NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441986 |
2kbs   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kbs
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 1724
_Distance_constraint_stats_list.Viol_count 546
_Distance_constraint_stats_list.Viol_total 240.656
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0220
_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 2 GLU 0.288 0.146 17 0 "[ . 1 . 2]"
1 3 LYS 1.024 0.128 20 0 "[ . 1 . 2]"
1 4 LYS 0.026 0.011 4 0 "[ . 1 . 2]"
1 5 VAL 0.001 0.001 10 0 "[ . 1 . 2]"
1 6 PHE 0.014 0.009 9 0 "[ . 1 . 2]"
1 7 ILE 0.157 0.073 9 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.040 0.040 17 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.062 0.019 20 0 "[ . 1 . 2]"
1 14 GLY 0.084 0.040 17 0 "[ . 1 . 2]"
1 15 LEU 1.184 0.058 17 0 "[ . 1 . 2]"
1 16 GLY 0.491 0.046 1 0 "[ . 1 . 2]"
1 17 CYS 0.345 0.102 8 0 "[ . 1 . 2]"
1 18 SER 0.547 0.057 2 0 "[ . 1 . 2]"
1 19 ILE 0.471 0.091 3 0 "[ . 1 . 2]"
1 20 SER 0.008 0.004 8 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.032 0.010 3 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 1.520 0.177 10 0 "[ . 1 . 2]"
1 27 PRO 0.030 0.010 13 0 "[ . 1 . 2]"
1 28 GLY 0.136 0.020 4 0 "[ . 1 . 2]"
1 29 ILE 0.010 0.010 4 0 "[ . 1 . 2]"
1 30 PHE 0.118 0.020 4 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 0.005 0.004 8 0 "[ . 1 . 2]"
1 33 HIS 0.559 0.057 2 0 "[ . 1 . 2]"
1 34 VAL 0.316 0.102 8 0 "[ . 1 . 2]"
1 35 LYS 0.013 0.007 2 0 "[ . 1 . 2]"
1 36 PRO 0.024 0.016 7 0 "[ . 1 . 2]"
1 37 GLY 0.024 0.013 7 0 "[ . 1 . 2]"
1 38 SER 0.610 0.046 1 0 "[ . 1 . 2]"
1 39 LEU 0.118 0.073 9 0 "[ . 1 . 2]"
1 40 SER 0.565 0.037 7 0 "[ . 1 . 2]"
1 41 ALA 0.031 0.016 7 0 "[ . 1 . 2]"
1 42 GLU 0.035 0.016 13 0 "[ . 1 . 2]"
1 43 VAL 0.033 0.009 5 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.035 0.009 5 0 "[ . 1 . 2]"
1 46 GLU 0.033 0.015 4 0 "[ . 1 . 2]"
1 47 ILE 0.021 0.007 13 0 "[ . 1 . 2]"
1 48 GLY 0.025 0.017 14 0 "[ . 1 . 2]"
1 49 ASP 0.049 0.023 18 0 "[ . 1 . 2]"
1 50 GLN 0.377 0.093 8 0 "[ . 1 . 2]"
1 51 ILE 0.069 0.012 16 0 "[ . 1 . 2]"
1 52 VAL 0.841 0.091 14 0 "[ . 1 . 2]"
1 53 GLU 0.095 0.016 18 0 "[ . 1 . 2]"
1 54 VAL 0.950 0.114 2 0 "[ . 1 . 2]"
1 55 ASN 0.062 0.029 5 0 "[ . 1 . 2]"
1 56 GLY 0.032 0.014 5 0 "[ . 1 . 2]"
1 57 VAL 0.035 0.014 5 0 "[ . 1 . 2]"
1 58 ASP 0.012 0.008 5 0 "[ . 1 . 2]"
1 59 PHE 0.082 0.011 1 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.099 0.011 1 0 "[ . 1 . 2]"
1 63 ASP 0.017 0.004 7 0 "[ . 1 . 2]"
1 64 HIS 0.054 0.017 7 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.009 0.003 19 0 "[ . 1 . 2]"
1 67 ALA 0.012 0.010 4 0 "[ . 1 . 2]"
1 68 VAL 0.095 0.081 6 0 "[ . 1 . 2]"
1 69 ASN 0.314 0.027 9 0 "[ . 1 . 2]"
1 70 VAL 0.426 0.039 20 0 "[ . 1 . 2]"
1 71 LEU 0.955 0.064 8 0 "[ . 1 . 2]"
1 72 LYS 0.337 0.027 9 0 "[ . 1 . 2]"
1 73 SER 0.023 0.007 12 0 "[ . 1 . 2]"
1 74 SER 0.053 0.010 9 0 "[ . 1 . 2]"
1 75 ARG 0.012 0.012 16 0 "[ . 1 . 2]"
1 76 SER 0.012 0.012 16 0 "[ . 1 . 2]"
1 77 LEU 0.311 0.046 18 0 "[ . 1 . 2]"
1 78 THR 0.022 0.010 5 0 "[ . 1 . 2]"
1 79 ILE 0.536 0.114 2 0 "[ . 1 . 2]"
1 80 SER 0.070 0.011 4 0 "[ . 1 . 2]"
1 81 ILE 0.461 0.128 20 0 "[ . 1 . 2]"
1 82 VAL 3.234 0.230 18 0 "[ . 1 . 2]"
1 83 ALA 0.109 0.017 17 0 "[ . 1 . 2]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 1.994 0.230 18 0 "[ . 1 . 2]"
1 86 GLY 0.096 0.033 11 0 "[ . 1 . 2]"
1 87 ARG 0.025 0.017 14 0 "[ . 1 . 2]"
1 88 GLU 0.023 0.015 2 0 "[ . 1 . 2]"
1 89 LEU 1.642 0.177 10 0 "[ . 1 . 2]"
1 90 PHE 0.004 0.004 19 0 "[ . 1 . 2]"
1 91 MET 0.026 0.015 2 0 "[ . 1 . 2]"
1 92 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 THR 0.048 0.011 18 0 "[ . 1 . 2]"
2 2 PRO 0.048 0.011 18 0 "[ . 1 . 2]"
2 3 LEU 0.019 0.011 18 0 "[ . 1 . 2]"
2 4 GLU 0.003 0.002 17 0 "[ . 1 . 2]"
2 5 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 THR 0.108 0.081 6 0 "[ . 1 . 2]"
2 7 GLU 0.001 0.001 7 0 "[ . 1 . 2]"
2 8 LEU 0.468 0.091 3 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 2 GLU HA 1 2 GLU HG3 3.940 . 3.940 2.681 2.126 3.850 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 2 GLU HG2 3.940 . 3.940 2.910 2.200 3.638 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU HA 1 3 LYS H 2.910 . 2.910 2.176 2.141 2.306 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU HA 1 82 VAL HA 3.630 . 3.630 2.604 2.336 2.907 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU HA 1 82 VAL HB 4.280 . 4.280 3.844 2.519 4.294 0.014 13 0 "[ . 1 . 2]" 1
6 1 2 GLU HA 1 82 VAL MG1 5.210 . 5.210 2.563 1.962 4.369 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU HA 1 82 VAL MG2 5.210 . 5.210 2.206 1.909 3.288 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLU HA 1 83 ALA H 4.330 . 4.330 4.089 3.631 4.332 0.002 17 0 "[ . 1 . 2]" 1
9 1 2 GLU QB 1 3 LYS H 5.010 . 5.010 3.250 2.668 3.812 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLU QB 1 52 VAL MG2 6.570 . 6.570 4.029 3.133 4.850 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLU QB 1 82 VAL QG 7.780 . 7.780 2.945 1.929 4.478 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLU HG3 1 82 VAL MG1 5.860 . 5.860 3.342 2.352 4.750 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLU HG3 1 82 VAL MG2 5.860 . 5.860 2.752 1.854 4.369 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLU HG2 1 82 VAL MG1 5.860 . 5.860 3.678 2.678 4.698 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLU HG2 1 82 VAL MG2 5.860 . 5.860 2.745 1.868 4.878 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLU QG 1 52 VAL MG2 6.430 . 6.430 3.237 2.343 4.540 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLU QG 1 82 VAL QG 6.250 . 6.250 2.143 1.654 3.388 0.146 17 0 "[ . 1 . 2]" 1
18 1 2 GLU H 1 2 GLU QB 3.750 . 3.750 2.595 2.059 3.399 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU H 1 2 GLU QG 4.490 . 4.490 3.064 1.982 4.078 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLU H 1 3 LYS H 4.760 . 4.760 4.358 3.690 4.618 . 0 0 "[ . 1 . 2]" 1
21 1 3 LYS HA 1 3 LYS QE 6.000 . 6.000 4.755 4.468 5.170 . 0 0 "[ . 1 . 2]" 1
22 1 3 LYS HA 1 4 LYS H 2.680 . 2.680 2.219 2.140 2.352 . 0 0 "[ . 1 . 2]" 1
23 1 3 LYS HB3 1 81 ILE MD 4.620 . 4.620 2.659 2.271 3.037 . 0 0 "[ . 1 . 2]" 1
24 1 3 LYS HB3 1 81 ILE QG 6.120 . 6.120 4.620 4.408 4.943 . 0 0 "[ . 1 . 2]" 1
25 1 3 LYS HB3 1 81 ILE MG 5.460 . 5.460 2.323 2.079 2.907 . 0 0 "[ . 1 . 2]" 1
26 1 3 LYS HB3 1 83 ALA HA 5.200 . 5.200 5.173 4.861 5.217 0.017 17 0 "[ . 1 . 2]" 1
27 1 3 LYS HB3 1 83 ALA MB 5.430 . 5.430 4.063 3.602 4.194 . 0 0 "[ . 1 . 2]" 1
28 1 3 LYS HB2 1 4 LYS H 4.450 . 4.450 4.047 3.780 4.415 . 0 0 "[ . 1 . 2]" 1
29 1 3 LYS HB2 1 81 ILE MD 5.550 . 5.550 3.886 3.558 4.414 . 0 0 "[ . 1 . 2]" 1
30 1 3 LYS HB2 1 81 ILE MG 5.650 . 5.650 3.865 3.639 4.400 . 0 0 "[ . 1 . 2]" 1
31 1 3 LYS QD 1 81 ILE MD 6.150 . 6.150 3.710 2.074 4.332 . 0 0 "[ . 1 . 2]" 1
32 1 3 LYS QD 1 81 ILE MG 5.800 . 5.800 3.406 1.672 4.129 0.128 20 0 "[ . 1 . 2]" 1
33 1 3 LYS QD 1 83 ALA MB 6.070 . 6.070 3.757 3.063 4.346 . 0 0 "[ . 1 . 2]" 1
34 1 3 LYS QE 1 5 VAL MG1 6.950 . 6.950 4.642 4.118 5.038 . 0 0 "[ . 1 . 2]" 1
35 1 3 LYS QE 1 5 VAL MG2 5.530 . 5.530 2.886 2.295 3.171 . 0 0 "[ . 1 . 2]" 1
36 1 3 LYS QE 1 81 ILE HB 6.120 . 6.120 4.955 4.368 5.450 . 0 0 "[ . 1 . 2]" 1
37 1 3 LYS QE 1 81 ILE MD 5.760 . 5.760 2.543 1.986 3.243 . 0 0 "[ . 1 . 2]" 1
38 1 3 LYS QE 1 81 ILE MG 5.390 . 5.390 2.371 1.823 2.892 . 0 0 "[ . 1 . 2]" 1
39 1 3 LYS QE 1 83 ALA HA 5.590 . 5.590 4.575 4.061 4.975 . 0 0 "[ . 1 . 2]" 1
40 1 3 LYS QE 1 83 ALA MB 5.560 . 5.560 3.543 3.155 3.780 . 0 0 "[ . 1 . 2]" 1
41 1 3 LYS QG 1 4 LYS HA 5.670 . 5.670 3.948 3.651 4.377 . 0 0 "[ . 1 . 2]" 1
42 1 3 LYS QG 1 4 LYS H 4.610 . 4.610 2.394 1.926 3.085 . 0 0 "[ . 1 . 2]" 1
43 1 3 LYS QG 1 5 VAL MG1 6.590 . 6.590 4.710 4.594 4.800 . 0 0 "[ . 1 . 2]" 1
44 1 3 LYS QG 1 5 VAL MG2 5.510 . 5.510 2.417 2.230 2.580 . 0 0 "[ . 1 . 2]" 1
45 1 3 LYS QG 1 81 ILE MD 6.020 . 6.020 3.849 3.628 4.063 . 0 0 "[ . 1 . 2]" 1
46 1 3 LYS QG 1 81 ILE QG 7.100 . 7.100 5.442 5.209 5.720 . 0 0 "[ . 1 . 2]" 1
47 1 3 LYS QG 1 81 ILE MG 5.530 . 5.530 2.713 2.443 3.424 . 0 0 "[ . 1 . 2]" 1
48 1 3 LYS H 1 3 LYS HB2 3.900 . 3.900 2.980 2.761 3.155 . 0 0 "[ . 1 . 2]" 1
49 1 3 LYS H 1 3 LYS QG 4.870 . 4.870 4.004 3.951 4.081 . 0 0 "[ . 1 . 2]" 1
50 1 3 LYS H 1 4 LYS HA 5.500 . 5.500 5.049 4.804 5.161 . 0 0 "[ . 1 . 2]" 1
51 1 3 LYS H 1 4 LYS H 4.580 . 4.580 4.479 4.243 4.561 . 0 0 "[ . 1 . 2]" 1
52 1 3 LYS H 1 80 SER HA 5.500 . 5.500 5.426 5.099 5.508 0.008 19 0 "[ . 1 . 2]" 1
53 1 3 LYS H 1 81 ILE MG 5.610 . 5.610 3.777 3.650 4.154 . 0 0 "[ . 1 . 2]" 1
54 1 3 LYS H 1 81 ILE H 4.600 . 4.600 4.159 3.840 4.358 . 0 0 "[ . 1 . 2]" 1
55 1 3 LYS H 1 82 VAL HA 4.030 . 4.030 2.120 1.962 2.561 . 0 0 "[ . 1 . 2]" 1
56 1 3 LYS H 1 82 VAL HB 4.700 . 4.700 4.521 3.597 4.760 0.060 16 0 "[ . 1 . 2]" 1
57 1 3 LYS H 1 82 VAL QG 7.130 . 7.130 2.877 2.387 3.987 . 0 0 "[ . 1 . 2]" 1
58 1 4 LYS HA 1 4 LYS QD 5.110 . 5.110 3.248 2.057 4.078 . 0 0 "[ . 1 . 2]" 1
59 1 4 LYS HA 1 4 LYS QE 5.530 . 5.530 3.927 2.711 4.468 . 0 0 "[ . 1 . 2]" 1
60 1 4 LYS HA 1 5 VAL MG1 6.520 . 6.520 5.429 5.412 5.444 . 0 0 "[ . 1 . 2]" 1
61 1 4 LYS HA 1 5 VAL MG2 6.060 . 6.060 3.421 3.303 3.610 . 0 0 "[ . 1 . 2]" 1
62 1 4 LYS HA 1 5 VAL H 3.040 . 3.040 2.212 2.163 2.277 . 0 0 "[ . 1 . 2]" 1
63 1 4 LYS HA 1 78 THR MG 6.460 . 6.460 4.689 4.465 5.010 . 0 0 "[ . 1 . 2]" 1
64 1 4 LYS HA 1 80 SER QB 5.500 . 5.500 4.008 3.437 4.475 . 0 0 "[ . 1 . 2]" 1
65 1 4 LYS HA 1 81 ILE MG 5.940 . 5.940 3.975 3.622 4.166 . 0 0 "[ . 1 . 2]" 1
66 1 4 LYS HB3 1 5 VAL H 4.660 . 4.660 3.491 2.841 3.911 . 0 0 "[ . 1 . 2]" 1
67 1 4 LYS HB3 1 80 SER HA 5.500 . 5.500 5.158 4.434 5.506 0.006 20 0 "[ . 1 . 2]" 1
68 1 4 LYS HB2 1 5 VAL H 4.660 . 4.660 4.241 4.066 4.425 . 0 0 "[ . 1 . 2]" 1
69 1 4 LYS HB2 1 80 SER HA 5.500 . 5.500 5.080 4.537 5.511 0.011 4 0 "[ . 1 . 2]" 1
70 1 4 LYS QB 1 5 VAL H 4.770 . 4.770 3.315 2.789 3.585 . 0 0 "[ . 1 . 2]" 1
71 1 4 LYS QB 1 78 THR MG 6.220 . 6.220 4.369 3.724 4.703 . 0 0 "[ . 1 . 2]" 1
72 1 4 LYS QD 1 5 VAL H 5.530 . 5.530 3.809 2.441 4.785 . 0 0 "[ . 1 . 2]" 1
73 1 4 LYS QD 1 78 THR MG 5.630 . 5.630 3.349 2.518 4.154 . 0 0 "[ . 1 . 2]" 1
74 1 4 LYS QD 1 80 SER HA 6.380 . 6.380 4.385 2.679 5.711 . 0 0 "[ . 1 . 2]" 1
75 1 4 LYS QE 1 78 THR HB 6.380 . 6.380 4.637 3.781 5.655 . 0 0 "[ . 1 . 2]" 1
76 1 4 LYS QE 1 78 THR MG 5.380 . 5.380 2.582 1.838 3.425 . 0 0 "[ . 1 . 2]" 1
77 1 4 LYS QE 1 80 SER HA 6.210 . 6.210 4.414 2.650 5.408 . 0 0 "[ . 1 . 2]" 1
78 1 4 LYS QG 1 80 SER HA 5.250 . 5.250 3.617 2.964 4.325 . 0 0 "[ . 1 . 2]" 1
79 1 4 LYS H 1 5 VAL H 4.770 . 4.770 4.517 4.433 4.583 . 0 0 "[ . 1 . 2]" 1
80 1 4 LYS H 1 81 ILE MG 6.420 . 6.420 4.560 4.177 4.928 . 0 0 "[ . 1 . 2]" 1
81 1 5 VAL HA 1 6 PHE H 3.140 . 3.140 2.247 2.155 2.350 . 0 0 "[ . 1 . 2]" 1
82 1 5 VAL HB 1 7 ILE MD 6.170 . 6.170 4.162 3.983 4.385 . 0 0 "[ . 1 . 2]" 1
83 1 5 VAL HB 1 43 VAL HB 5.010 . 5.010 4.467 4.358 4.713 . 0 0 "[ . 1 . 2]" 1
84 1 5 VAL HB 1 43 VAL MG1 5.790 . 5.790 4.430 4.245 4.711 . 0 0 "[ . 1 . 2]" 1
85 1 5 VAL HB 1 43 VAL MG2 5.370 . 5.370 4.196 4.096 4.270 . 0 0 "[ . 1 . 2]" 1
86 1 5 VAL HB 1 79 ILE HB 4.620 . 4.620 4.267 4.094 4.525 . 0 0 "[ . 1 . 2]" 1
87 1 5 VAL HB 1 79 ILE MD 5.630 . 5.630 2.975 2.041 3.221 . 0 0 "[ . 1 . 2]" 1
88 1 5 VAL HB 1 79 ILE QG 5.180 . 5.180 1.984 1.845 2.143 . 0 0 "[ . 1 . 2]" 1
89 1 5 VAL HB 1 79 ILE MG 6.120 . 6.120 4.766 4.340 4.969 . 0 0 "[ . 1 . 2]" 1
90 1 5 VAL MG1 1 6 PHE HA 6.230 . 6.230 3.688 3.544 3.896 . 0 0 "[ . 1 . 2]" 1
91 1 5 VAL MG1 1 6 PHE QB 7.010 . 7.010 4.186 3.929 4.441 . 0 0 "[ . 1 . 2]" 1
92 1 5 VAL MG1 1 6 PHE H 4.590 . 4.590 2.007 1.924 2.410 . 0 0 "[ . 1 . 2]" 1
93 1 5 VAL MG1 1 7 ILE MD 5.510 . 5.510 2.133 1.922 2.324 . 0 0 "[ . 1 . 2]" 1
94 1 5 VAL MG1 1 7 ILE HG12 5.690 . 5.690 2.795 2.671 2.920 . 0 0 "[ . 1 . 2]" 1
95 1 5 VAL MG1 1 39 LEU QB 7.180 . 7.180 4.959 4.540 5.334 . 0 0 "[ . 1 . 2]" 1
96 1 5 VAL MG1 1 40 SER HA 5.860 . 5.860 4.077 3.785 4.341 . 0 0 "[ . 1 . 2]" 1
97 1 5 VAL MG1 1 43 VAL HA 6.410 . 6.410 3.816 3.683 4.031 . 0 0 "[ . 1 . 2]" 1
98 1 5 VAL MG1 1 43 VAL HB 5.520 . 5.520 1.856 1.806 1.939 . 0 0 "[ . 1 . 2]" 1
99 1 5 VAL MG1 1 43 VAL MG1 5.210 . 5.210 1.932 1.829 2.197 . 0 0 "[ . 1 . 2]" 1
100 1 5 VAL MG1 1 43 VAL MG2 5.190 . 5.190 1.855 1.813 1.909 . 0 0 "[ . 1 . 2]" 1
101 1 5 VAL MG1 1 45 LEU MD1 5.420 . 5.420 2.954 2.594 3.242 . 0 0 "[ . 1 . 2]" 1
102 1 5 VAL MG1 1 45 LEU HG 4.490 . 4.490 2.961 2.609 3.327 . 0 0 "[ . 1 . 2]" 1
103 1 5 VAL MG1 1 79 ILE HB 6.260 . 6.260 4.968 4.689 5.123 . 0 0 "[ . 1 . 2]" 1
104 1 5 VAL MG1 1 79 ILE MD 5.110 . 5.110 2.457 1.799 2.897 0.001 10 0 "[ . 1 . 2]" 1
105 1 5 VAL MG1 1 79 ILE QG 5.290 . 5.290 2.711 2.461 2.873 . 0 0 "[ . 1 . 2]" 1
106 1 5 VAL MG2 1 6 PHE H 5.200 . 5.200 3.931 3.870 4.081 . 0 0 "[ . 1 . 2]" 1
107 1 5 VAL MG2 1 7 ILE MD 6.550 . 6.550 4.316 4.160 4.395 . 0 0 "[ . 1 . 2]" 1
108 1 5 VAL MG2 1 43 VAL HA 6.020 . 6.020 4.787 4.592 4.881 . 0 0 "[ . 1 . 2]" 1
109 1 5 VAL MG2 1 43 VAL HB 4.720 . 4.720 2.949 2.741 3.061 . 0 0 "[ . 1 . 2]" 1
110 1 5 VAL MG2 1 43 VAL MG2 5.130 . 5.130 3.206 2.824 3.345 . 0 0 "[ . 1 . 2]" 1
111 1 5 VAL H 1 5 VAL HB 4.060 . 4.060 2.901 2.821 2.990 . 0 0 "[ . 1 . 2]" 1
112 1 5 VAL H 1 5 VAL MG2 4.600 . 4.600 2.911 2.782 3.053 . 0 0 "[ . 1 . 2]" 1
113 1 5 VAL H 1 6 PHE H 4.860 . 4.860 4.348 4.219 4.397 . 0 0 "[ . 1 . 2]" 1
114 1 5 VAL H 1 79 ILE H 4.740 . 4.740 3.914 3.704 4.147 . 0 0 "[ . 1 . 2]" 1
115 1 5 VAL H 1 80 SER QB 6.110 . 6.110 4.708 4.475 5.095 . 0 0 "[ . 1 . 2]" 1
116 1 5 VAL H 1 81 ILE MG 5.670 . 5.670 3.929 3.516 4.215 . 0 0 "[ . 1 . 2]" 1
117 1 5 VAL H 1 81 ILE H 5.000 . 5.000 3.757 3.471 3.959 . 0 0 "[ . 1 . 2]" 1
118 1 6 PHE HA 1 7 ILE H 3.060 . 3.060 2.150 2.138 2.174 . 0 0 "[ . 1 . 2]" 1
119 1 6 PHE HA 1 78 THR HA 3.740 . 3.740 2.266 1.968 2.553 . 0 0 "[ . 1 . 2]" 1
120 1 6 PHE HA 1 78 THR HB 5.380 . 5.380 5.115 4.564 5.389 0.009 9 0 "[ . 1 . 2]" 1
121 1 6 PHE HA 1 78 THR MG 5.190 . 5.190 3.161 2.397 3.576 . 0 0 "[ . 1 . 2]" 1
122 1 6 PHE HA 1 79 ILE H 4.130 . 4.130 2.739 2.454 3.145 . 0 0 "[ . 1 . 2]" 1
123 1 6 PHE HB3 1 7 ILE H 4.460 . 4.460 3.987 3.210 4.344 . 0 0 "[ . 1 . 2]" 1
124 1 6 PHE HB3 1 78 THR HA 5.340 . 5.340 3.924 3.086 5.096 . 0 0 "[ . 1 . 2]" 1
125 1 6 PHE HB3 1 78 THR MG 6.060 . 6.060 3.547 2.284 4.890 . 0 0 "[ . 1 . 2]" 1
126 1 6 PHE HB2 1 7 ILE H 4.460 . 4.460 3.891 3.228 4.465 0.005 11 0 "[ . 1 . 2]" 1
127 1 6 PHE HB2 1 78 THR HA 5.340 . 5.340 4.033 3.236 5.211 . 0 0 "[ . 1 . 2]" 1
128 1 6 PHE HB2 1 78 THR MG 6.060 . 6.060 3.801 2.764 4.909 . 0 0 "[ . 1 . 2]" 1
129 1 6 PHE QB 1 7 ILE H 4.730 . 4.730 3.417 3.113 3.853 . 0 0 "[ . 1 . 2]" 1
130 1 6 PHE QB 1 78 THR HA 5.580 . 5.580 3.424 2.829 4.313 . 0 0 "[ . 1 . 2]" 1
131 1 6 PHE QD 1 7 ILE H 6.830 . 6.830 4.038 2.454 4.737 . 0 0 "[ . 1 . 2]" 1
132 1 6 PHE QD 1 79 ILE H 7.630 . 7.630 4.910 3.052 5.771 . 0 0 "[ . 1 . 2]" 1
133 1 6 PHE H 1 6 PHE HB3 3.900 . 3.900 3.269 2.656 3.863 . 0 0 "[ . 1 . 2]" 1
134 1 6 PHE H 1 6 PHE HB2 3.900 . 3.900 3.301 2.556 3.884 . 0 0 "[ . 1 . 2]" 1
135 1 6 PHE H 1 7 ILE H 4.530 . 4.530 4.243 4.064 4.342 . 0 0 "[ . 1 . 2]" 1
136 1 7 ILE HA 1 7 ILE HG13 4.060 . 4.060 3.765 3.731 3.819 . 0 0 "[ . 1 . 2]" 1
137 1 7 ILE HA 1 7 ILE HG12 4.150 . 4.150 3.160 3.078 3.217 . 0 0 "[ . 1 . 2]" 1
138 1 7 ILE HA 1 15 LEU MD1 6.520 . 6.520 4.088 3.820 4.896 . 0 0 "[ . 1 . 2]" 1
139 1 7 ILE HA 1 39 LEU MD1 6.520 . 6.520 3.764 3.123 4.243 . 0 0 "[ . 1 . 2]" 1
140 1 7 ILE HA 1 39 LEU MD2 6.520 . 6.520 4.308 3.148 5.126 . 0 0 "[ . 1 . 2]" 1
141 1 7 ILE HA 1 39 LEU QD 6.900 . 6.900 3.443 2.845 4.007 . 0 0 "[ . 1 . 2]" 1
142 1 7 ILE HA 1 43 VAL MG1 6.520 . 6.520 3.433 3.097 3.917 . 0 0 "[ . 1 . 2]" 1
143 1 7 ILE HB 1 77 LEU HB2 5.100 . 5.100 5.019 4.277 5.112 0.012 6 0 "[ . 1 . 2]" 1
144 1 7 ILE HB 1 79 ILE MD 5.690 . 5.690 3.399 3.071 3.943 . 0 0 "[ . 1 . 2]" 1
145 1 7 ILE MD 1 15 LEU HA 5.690 . 5.690 3.876 3.511 4.266 . 0 0 "[ . 1 . 2]" 1
146 1 7 ILE MD 1 15 LEU HB3 6.450 . 6.450 5.055 4.514 5.237 . 0 0 "[ . 1 . 2]" 1
147 1 7 ILE MD 1 15 LEU HB2 6.240 . 6.240 3.883 3.127 4.172 . 0 0 "[ . 1 . 2]" 1
148 1 7 ILE MD 1 39 LEU QB 5.780 . 5.780 2.309 1.946 2.743 . 0 0 "[ . 1 . 2]" 1
149 1 7 ILE MD 1 39 LEU MD1 6.390 . 6.390 3.787 3.120 4.150 . 0 0 "[ . 1 . 2]" 1
150 1 7 ILE MD 1 39 LEU MD2 6.390 . 6.390 4.045 3.446 4.282 . 0 0 "[ . 1 . 2]" 1
151 1 7 ILE MD 1 39 LEU QD 6.920 . 6.920 3.461 2.900 3.717 . 0 0 "[ . 1 . 2]" 1
152 1 7 ILE MD 1 40 SER HA 5.100 . 5.100 2.785 2.572 3.204 . 0 0 "[ . 1 . 2]" 1
153 1 7 ILE MD 1 40 SER QB 6.370 . 6.370 3.676 3.251 4.099 . 0 0 "[ . 1 . 2]" 1
154 1 7 ILE MD 1 42 GLU H 6.520 . 6.520 5.423 5.263 5.486 . 0 0 "[ . 1 . 2]" 1
155 1 7 ILE MD 1 43 VAL HB 6.010 . 6.010 3.732 3.442 4.007 . 0 0 "[ . 1 . 2]" 1
156 1 7 ILE MD 1 43 VAL MG1 5.470 . 5.470 1.943 1.815 2.168 . 0 0 "[ . 1 . 2]" 1
157 1 7 ILE MD 1 43 VAL MG2 5.180 . 5.180 2.270 1.986 2.512 . 0 0 "[ . 1 . 2]" 1
158 1 7 ILE MD 1 79 ILE MD 5.300 . 5.300 2.670 2.476 2.840 . 0 0 "[ . 1 . 2]" 1
159 1 7 ILE HG13 1 15 LEU HA 5.340 . 5.340 5.049 4.543 5.345 0.005 1 0 "[ . 1 . 2]" 1
160 1 7 ILE HG12 1 43 VAL MG2 5.680 . 5.680 4.285 4.012 4.456 . 0 0 "[ . 1 . 2]" 1
161 1 7 ILE HG12 1 79 ILE MD 4.660 . 4.660 2.050 1.832 2.374 . 0 0 "[ . 1 . 2]" 1
162 1 7 ILE MG 1 8 SER QB 6.690 . 6.690 4.555 4.190 4.805 . 0 0 "[ . 1 . 2]" 1
163 1 7 ILE MG 1 9 LEU HA 5.810 . 5.810 4.289 3.379 4.763 . 0 0 "[ . 1 . 2]" 1
164 1 7 ILE MG 1 14 GLY QA 7.240 . 7.240 4.520 3.983 4.910 . 0 0 "[ . 1 . 2]" 1
165 1 7 ILE MG 1 15 LEU HA 4.470 . 4.470 2.732 2.273 3.056 . 0 0 "[ . 1 . 2]" 1
166 1 7 ILE MG 1 15 LEU HB3 5.020 . 5.020 3.716 2.827 4.034 . 0 0 "[ . 1 . 2]" 1
167 1 7 ILE MG 1 15 LEU HB2 4.200 . 4.200 2.232 1.985 2.523 . 0 0 "[ . 1 . 2]" 1
168 1 7 ILE MG 1 16 GLY H 6.520 . 6.520 5.317 5.019 5.448 . 0 0 "[ . 1 . 2]" 1
169 1 7 ILE MG 1 39 LEU HA 6.330 . 6.330 4.617 4.259 4.994 . 0 0 "[ . 1 . 2]" 1
170 1 7 ILE MG 1 39 LEU HB3 5.220 . 5.220 2.461 2.052 2.971 . 0 0 "[ . 1 . 2]" 1
171 1 7 ILE MG 1 39 LEU HB2 5.220 . 5.220 2.569 2.197 3.000 . 0 0 "[ . 1 . 2]" 1
172 1 7 ILE MG 1 39 LEU QD 6.470 . 6.470 2.586 1.727 3.170 0.073 9 0 "[ . 1 . 2]" 1
173 1 7 ILE MG 1 40 SER H 5.880 . 5.880 4.266 3.890 4.524 . 0 0 "[ . 1 . 2]" 1
174 1 7 ILE MG 1 43 VAL MG1 6.750 . 6.750 4.090 3.774 4.281 . 0 0 "[ . 1 . 2]" 1
175 1 7 ILE MG 1 76 SER HA 6.350 . 6.350 4.489 3.662 4.965 . 0 0 "[ . 1 . 2]" 1
176 1 7 ILE MG 1 77 LEU H 5.620 . 5.620 4.301 3.827 4.589 . 0 0 "[ . 1 . 2]" 1
177 1 7 ILE H 1 7 ILE HB 3.630 . 3.630 2.676 2.585 2.854 . 0 0 "[ . 1 . 2]" 1
178 1 7 ILE H 1 7 ILE MD 5.270 . 5.270 3.467 3.302 3.574 . 0 0 "[ . 1 . 2]" 1
179 1 7 ILE H 1 7 ILE HG13 4.220 . 4.220 3.972 3.827 4.112 . 0 0 "[ . 1 . 2]" 1
180 1 7 ILE H 1 7 ILE HG12 4.010 . 4.010 2.546 2.399 2.703 . 0 0 "[ . 1 . 2]" 1
181 1 7 ILE H 1 78 THR HA 3.570 . 3.570 3.231 2.717 3.526 . 0 0 "[ . 1 . 2]" 1
182 1 7 ILE H 1 79 ILE MG 5.940 . 5.940 4.171 3.955 4.470 . 0 0 "[ . 1 . 2]" 1
183 1 7 ILE H 1 79 ILE H 4.990 . 4.990 3.646 3.398 4.094 . 0 0 "[ . 1 . 2]" 1
184 1 8 SER HA 1 76 SER HA 4.470 . 4.470 2.025 1.925 2.292 . 0 0 "[ . 1 . 2]" 1
185 1 8 SER HA 1 76 SER QB 5.700 . 5.700 3.121 1.960 3.819 . 0 0 "[ . 1 . 2]" 1
186 1 8 SER HA 1 77 LEU H 4.510 . 4.510 3.691 3.513 3.861 . 0 0 "[ . 1 . 2]" 1
187 1 8 SER QB 1 76 SER HA 4.790 . 4.790 3.114 2.493 4.008 . 0 0 "[ . 1 . 2]" 1
188 1 8 SER QB 1 77 LEU H 5.990 . 5.990 4.736 4.178 5.305 . 0 0 "[ . 1 . 2]" 1
189 1 9 LEU HA 1 9 LEU MD1 4.460 . 4.460 2.959 2.175 3.680 . 0 0 "[ . 1 . 2]" 1
190 1 9 LEU HA 1 9 LEU MD2 4.460 . 4.460 3.185 1.962 3.744 . 0 0 "[ . 1 . 2]" 1
191 1 9 LEU HA 1 9 LEU HG 3.890 . 3.890 2.471 2.141 3.646 . 0 0 "[ . 1 . 2]" 1
192 1 9 LEU HA 1 39 LEU MD1 5.600 . 5.600 2.973 1.828 4.335 . 0 0 "[ . 1 . 2]" 1
193 1 9 LEU HA 1 39 LEU MD2 5.600 . 5.600 3.316 1.928 4.479 . 0 0 "[ . 1 . 2]" 1
194 1 9 LEU HA 1 39 LEU QD 6.120 . 6.120 2.521 1.803 3.098 . 0 0 "[ . 1 . 2]" 1
195 1 9 LEU QB 1 75 ARG HA 5.590 . 5.590 3.481 2.287 4.276 . 0 0 "[ . 1 . 2]" 1
196 1 9 LEU QB 1 75 ARG QG 6.290 . 6.290 2.484 1.842 3.928 . 0 0 "[ . 1 . 2]" 1
197 1 9 LEU MD1 1 75 ARG QD 5.950 . 5.950 3.394 2.233 4.291 . 0 0 "[ . 1 . 2]" 1
198 1 9 LEU MD2 1 75 ARG QD 5.950 . 5.950 3.239 1.927 4.360 . 0 0 "[ . 1 . 2]" 1
199 1 9 LEU QD 1 13 ARG HA 5.870 . 5.870 4.094 3.343 4.398 . 0 0 "[ . 1 . 2]" 1
200 1 9 LEU QD 1 14 GLY QA 6.990 . 6.990 2.079 1.760 3.318 0.040 17 0 "[ . 1 . 2]" 1
201 1 9 LEU QD 1 14 GLY H 7.240 . 7.240 3.465 2.039 4.070 . 0 0 "[ . 1 . 2]" 1
202 1 9 LEU QD 1 15 LEU H 6.930 . 6.930 4.390 2.374 5.085 . 0 0 "[ . 1 . 2]" 1
203 1 9 LEU QD 1 39 LEU QD 8.080 . 8.080 3.342 2.288 4.055 . 0 0 "[ . 1 . 2]" 1
204 1 9 LEU QD 1 75 ARG HA 7.540 . 7.540 3.139 2.201 3.836 . 0 0 "[ . 1 . 2]" 1
205 1 10 VAL HA 1 39 LEU QD 6.940 . 6.940 4.730 3.774 5.109 . 0 0 "[ . 1 . 2]" 1
206 1 13 ARG HA 1 13 ARG HG3 4.210 . 4.210 3.288 2.141 4.227 0.017 2 0 "[ . 1 . 2]" 1
207 1 13 ARG HA 1 13 ARG HG2 4.210 . 4.210 3.153 2.119 4.206 . 0 0 "[ . 1 . 2]" 1
208 1 13 ARG HA 1 14 GLY H 3.470 . 3.470 2.463 2.143 3.489 0.019 20 0 "[ . 1 . 2]" 1
209 1 13 ARG HB3 1 14 GLY H 4.780 . 4.780 3.660 1.999 4.280 . 0 0 "[ . 1 . 2]" 1
210 1 13 ARG HB2 1 14 GLY H 4.780 . 4.780 3.815 1.935 4.644 . 0 0 "[ . 1 . 2]" 1
211 1 13 ARG QB 1 14 GLY H 4.960 . 4.960 3.173 1.926 3.875 . 0 0 "[ . 1 . 2]" 1
212 1 13 ARG QD 1 39 LEU MD1 7.400 . 7.400 4.587 3.236 5.437 . 0 0 "[ . 1 . 2]" 1
213 1 13 ARG QD 1 39 LEU MD2 7.400 . 7.400 4.314 2.997 5.485 . 0 0 "[ . 1 . 2]" 1
214 1 13 ARG QD 1 39 LEU QD 7.280 . 7.280 3.754 2.936 4.702 . 0 0 "[ . 1 . 2]" 1
215 1 13 ARG QG 1 14 GLY H 5.270 . 5.270 3.519 1.970 4.420 . 0 0 "[ . 1 . 2]" 1
216 1 14 GLY QA 1 39 LEU QD 7.280 . 7.280 3.522 3.070 4.024 . 0 0 "[ . 1 . 2]" 1
217 1 14 GLY H 1 15 LEU H 4.610 . 4.610 3.610 2.539 4.495 . 0 0 "[ . 1 . 2]" 1
218 1 15 LEU HA 1 15 LEU MD1 4.520 . 4.520 2.452 2.133 3.487 . 0 0 "[ . 1 . 2]" 1
219 1 15 LEU HA 1 15 LEU HG 3.950 . 3.950 3.332 3.198 3.493 . 0 0 "[ . 1 . 2]" 1
220 1 15 LEU HA 1 39 LEU HB3 4.390 . 4.390 3.558 3.303 4.061 . 0 0 "[ . 1 . 2]" 1
221 1 15 LEU HA 1 39 LEU HB2 4.390 . 4.390 1.994 1.938 2.332 . 0 0 "[ . 1 . 2]" 1
222 1 15 LEU HA 1 39 LEU QB 4.620 . 4.620 1.984 1.926 2.319 . 0 0 "[ . 1 . 2]" 1
223 1 15 LEU HA 1 39 LEU MD1 5.780 . 5.780 3.298 1.951 4.432 . 0 0 "[ . 1 . 2]" 1
224 1 15 LEU HA 1 39 LEU MD2 5.780 . 5.780 3.241 1.957 4.560 . 0 0 "[ . 1 . 2]" 1
225 1 15 LEU HA 1 39 LEU QD 5.550 . 5.550 2.164 1.948 2.543 . 0 0 "[ . 1 . 2]" 1
226 1 15 LEU HB3 2 8 LEU QB 5.340 . 5.340 2.691 2.195 3.799 . 0 0 "[ . 1 . 2]" 1
227 1 15 LEU HB3 1 16 GLY H 4.370 . 4.370 2.590 2.258 3.381 . 0 0 "[ . 1 . 2]" 1
228 1 15 LEU HB3 1 17 CYS H 4.030 . 4.030 3.230 2.969 4.063 0.033 1 0 "[ . 1 . 2]" 1
229 1 15 LEU HB3 1 39 LEU QD 6.950 . 6.950 4.465 3.858 4.651 . 0 0 "[ . 1 . 2]" 1
230 1 15 LEU HB3 1 40 SER H 5.000 . 5.000 5.022 5.006 5.037 0.037 7 0 "[ . 1 . 2]" 1
231 1 15 LEU HB2 2 8 LEU QB 6.220 . 6.220 3.677 2.995 5.063 . 0 0 "[ . 1 . 2]" 1
232 1 15 LEU MD1 2 8 LEU HB3 6.520 . 6.520 5.021 4.629 5.350 . 0 0 "[ . 1 . 2]" 1
233 1 15 LEU MD1 2 8 LEU HB2 6.520 . 6.520 4.634 4.318 4.922 . 0 0 "[ . 1 . 2]" 1
234 1 15 LEU MD1 2 8 LEU QB 6.650 . 6.650 4.267 4.049 4.482 . 0 0 "[ . 1 . 2]" 1
235 1 15 LEU MD1 1 17 CYS HA 6.520 . 6.520 5.319 4.345 5.405 . 0 0 "[ . 1 . 2]" 1
236 1 15 LEU MD1 1 39 LEU HA 6.520 . 6.520 4.380 4.140 5.182 . 0 0 "[ . 1 . 2]" 1
237 1 15 LEU MD1 1 39 LEU QB 6.510 . 6.510 2.261 1.913 3.218 . 0 0 "[ . 1 . 2]" 1
238 1 15 LEU MD1 1 40 SER QB 5.980 . 5.980 1.931 1.883 2.029 . 0 0 "[ . 1 . 2]" 1
239 1 15 LEU MD2 2 8 LEU HA 5.610 . 5.610 4.477 4.050 4.564 . 0 0 "[ . 1 . 2]" 1
240 1 15 LEU MD2 2 8 LEU HB3 5.220 . 5.220 2.748 2.135 3.135 . 0 0 "[ . 1 . 2]" 1
241 1 15 LEU MD2 2 8 LEU HB2 5.220 . 5.220 2.074 1.875 2.347 . 0 0 "[ . 1 . 2]" 1
242 1 15 LEU MD2 2 8 LEU QB 5.310 . 5.310 2.007 1.819 2.144 . 0 0 "[ . 1 . 2]" 1
243 1 15 LEU MD2 2 8 LEU H 5.690 . 5.690 4.028 3.698 4.430 . 0 0 "[ . 1 . 2]" 1
244 1 15 LEU MD2 1 17 CYS HA 6.180 . 6.180 4.271 3.570 4.820 . 0 0 "[ . 1 . 2]" 1
245 1 15 LEU MD2 1 17 CYS HB3 6.180 . 6.180 2.221 1.817 4.200 . 0 0 "[ . 1 . 2]" 1
246 1 15 LEU MD2 1 17 CYS HB2 6.180 . 6.180 3.418 2.445 4.343 . 0 0 "[ . 1 . 2]" 1
247 1 15 LEU MD2 1 17 CYS QB 6.450 . 6.450 2.174 1.770 3.802 0.030 12 0 "[ . 1 . 2]" 1
248 1 15 LEU MD2 1 17 CYS H 5.210 . 5.210 2.824 1.943 3.534 . 0 0 "[ . 1 . 2]" 1
249 1 15 LEU MD2 1 18 SER HA 6.510 . 6.510 4.437 4.215 4.772 . 0 0 "[ . 1 . 2]" 1
250 1 15 LEU MD2 1 18 SER H 6.230 . 6.230 4.629 4.097 4.965 . 0 0 "[ . 1 . 2]" 1
251 1 15 LEU MD2 1 40 SER QB 7.130 . 7.130 2.980 2.714 3.468 . 0 0 "[ . 1 . 2]" 1
252 1 15 LEU HG 2 8 LEU QB 4.670 . 4.670 3.732 3.250 4.031 . 0 0 "[ . 1 . 2]" 1
253 1 15 LEU HG 1 16 GLY HA3 5.230 . 5.230 3.895 3.572 4.494 . 0 0 "[ . 1 . 2]" 1
254 1 15 LEU HG 1 16 GLY HA2 5.050 . 5.050 4.391 3.976 4.703 . 0 0 "[ . 1 . 2]" 1
255 1 15 LEU HG 1 16 GLY H 3.900 . 3.900 2.986 2.470 3.658 . 0 0 "[ . 1 . 2]" 1
256 1 15 LEU HG 1 17 CYS H 3.450 . 3.450 2.468 1.881 3.007 . 0 0 "[ . 1 . 2]" 1
257 1 15 LEU HG 1 39 LEU QD 7.160 . 7.160 4.781 4.340 5.028 . 0 0 "[ . 1 . 2]" 1
258 1 15 LEU H 1 15 LEU HB2 3.870 . 3.870 3.288 2.836 3.552 . 0 0 "[ . 1 . 2]" 1
259 1 15 LEU H 1 15 LEU MD1 5.520 . 5.520 4.391 4.241 4.465 . 0 0 "[ . 1 . 2]" 1
260 1 15 LEU H 1 15 LEU HG 4.150 . 4.150 4.158 3.638 4.208 0.058 17 0 "[ . 1 . 2]" 1
261 1 15 LEU H 1 16 GLY H 3.450 . 3.450 2.264 1.928 2.710 . 0 0 "[ . 1 . 2]" 1
262 1 15 LEU H 1 17 CYS H 4.980 . 4.980 4.234 3.926 4.628 . 0 0 "[ . 1 . 2]" 1
263 1 15 LEU H 1 39 LEU QD 7.140 . 7.140 3.674 3.302 4.080 . 0 0 "[ . 1 . 2]" 1
264 1 16 GLY HA3 1 35 LYS QB 6.180 . 6.180 3.445 2.609 4.876 . 0 0 "[ . 1 . 2]" 1
265 1 16 GLY HA3 1 35 LYS QD 5.840 . 5.840 4.129 3.232 5.239 . 0 0 "[ . 1 . 2]" 1
266 1 16 GLY HA3 1 38 SER HA 4.630 . 4.630 4.317 4.054 4.492 . 0 0 "[ . 1 . 2]" 1
267 1 16 GLY HA3 1 38 SER HB3 4.490 . 4.490 2.153 1.958 2.824 . 0 0 "[ . 1 . 2]" 1
268 1 16 GLY HA3 1 38 SER HB2 4.490 . 4.490 2.282 1.963 2.734 . 0 0 "[ . 1 . 2]" 1
269 1 16 GLY HA3 1 38 SER QB 4.770 . 4.770 1.911 1.849 2.083 . 0 0 "[ . 1 . 2]" 1
270 1 16 GLY HA3 1 40 SER H 4.380 . 4.380 3.577 3.038 4.383 0.003 19 0 "[ . 1 . 2]" 1
271 1 16 GLY HA2 1 17 CYS H 3.410 . 3.410 2.987 2.695 3.319 . 0 0 "[ . 1 . 2]" 1
272 1 16 GLY HA2 1 35 LYS QB 6.090 . 6.090 3.336 2.769 4.545 . 0 0 "[ . 1 . 2]" 1
273 1 16 GLY HA2 1 35 LYS QD 5.950 . 5.950 3.127 1.973 4.592 . 0 0 "[ . 1 . 2]" 1
274 1 16 GLY HA2 1 35 LYS HG3 5.500 . 5.500 3.996 2.792 5.454 . 0 0 "[ . 1 . 2]" 1
275 1 16 GLY HA2 1 35 LYS HG2 5.500 . 5.500 4.745 2.630 5.507 0.007 2 0 "[ . 1 . 2]" 1
276 1 16 GLY HA2 1 35 LYS QG 5.530 . 5.530 3.713 2.515 4.700 . 0 0 "[ . 1 . 2]" 1
277 1 16 GLY HA2 1 38 SER HA 5.500 . 5.500 5.515 5.321 5.546 0.046 1 0 "[ . 1 . 2]" 1
278 1 16 GLY HA2 1 38 SER QB 5.150 . 5.150 3.153 2.853 3.408 . 0 0 "[ . 1 . 2]" 1
279 1 16 GLY H 2 8 LEU HA 5.500 . 5.500 5.142 4.621 5.502 0.002 19 0 "[ . 1 . 2]" 1
280 1 16 GLY H 1 17 CYS H 3.210 . 3.210 2.225 1.985 2.832 . 0 0 "[ . 1 . 2]" 1
281 1 16 GLY H 1 38 SER QB 5.270 . 5.270 3.893 3.284 4.449 . 0 0 "[ . 1 . 2]" 1
282 1 16 GLY H 1 40 SER H 5.390 . 5.390 4.665 4.335 4.939 . 0 0 "[ . 1 . 2]" 1
283 1 17 CYS HA 1 18 SER H 3.270 . 3.270 2.370 2.301 2.465 . 0 0 "[ . 1 . 2]" 1
284 1 17 CYS HA 1 31 ILE MD 6.520 . 6.520 5.309 5.206 5.354 . 0 0 "[ . 1 . 2]" 1
285 1 17 CYS HA 1 31 ILE MG 6.280 . 6.280 4.713 4.100 5.009 . 0 0 "[ . 1 . 2]" 1
286 1 17 CYS HA 1 34 VAL HA 3.390 . 3.390 2.220 1.922 2.387 . 0 0 "[ . 1 . 2]" 1
287 1 17 CYS HA 1 34 VAL HB 5.500 . 5.500 4.682 2.656 5.200 . 0 0 "[ . 1 . 2]" 1
288 1 17 CYS HA 1 34 VAL MG1 4.930 . 4.930 2.851 2.018 3.219 . 0 0 "[ . 1 . 2]" 1
289 1 17 CYS HA 1 34 VAL MG2 4.930 . 4.930 3.586 2.767 4.202 . 0 0 "[ . 1 . 2]" 1
290 1 17 CYS HA 1 34 VAL QG 5.530 . 5.530 2.711 2.013 2.964 . 0 0 "[ . 1 . 2]" 1
291 1 17 CYS HA 1 34 VAL H 5.350 . 5.350 4.951 4.612 5.091 . 0 0 "[ . 1 . 2]" 1
292 1 17 CYS HA 1 35 LYS QG 6.220 . 6.220 4.081 3.202 5.262 . 0 0 "[ . 1 . 2]" 1
293 1 17 CYS HA 1 35 LYS H 4.280 . 4.280 3.298 3.066 3.598 . 0 0 "[ . 1 . 2]" 1
294 1 17 CYS HA 1 45 LEU MD1 6.520 . 6.520 5.194 4.840 5.326 . 0 0 "[ . 1 . 2]" 1
295 1 17 CYS HB3 1 18 SER H 4.480 . 4.480 3.665 3.080 4.069 . 0 0 "[ . 1 . 2]" 1
296 1 17 CYS HB3 1 31 ILE MD 5.910 . 5.910 3.732 3.256 4.361 . 0 0 "[ . 1 . 2]" 1
297 1 17 CYS HB3 1 34 VAL HA 4.620 . 4.620 4.524 3.488 4.646 0.026 18 0 "[ . 1 . 2]" 1
298 1 17 CYS HB3 1 34 VAL MG1 5.780 . 5.780 3.471 1.959 3.900 . 0 0 "[ . 1 . 2]" 1
299 1 17 CYS HB3 1 34 VAL MG2 5.780 . 5.780 4.083 2.404 4.848 . 0 0 "[ . 1 . 2]" 1
300 1 17 CYS HB3 1 45 LEU MD1 6.070 . 6.070 3.090 2.569 3.527 . 0 0 "[ . 1 . 2]" 1
301 1 17 CYS HB2 1 18 SER H 4.480 . 4.480 3.726 2.400 4.055 . 0 0 "[ . 1 . 2]" 1
302 1 17 CYS HB2 1 31 ILE MD 5.910 . 5.910 4.289 3.444 4.478 . 0 0 "[ . 1 . 2]" 1
303 1 17 CYS HB2 1 34 VAL HA 4.620 . 4.620 3.391 2.988 4.099 . 0 0 "[ . 1 . 2]" 1
304 1 17 CYS HB2 1 34 VAL MG1 5.780 . 5.780 2.139 1.787 3.099 0.013 1 0 "[ . 1 . 2]" 1
305 1 17 CYS HB2 1 34 VAL MG2 5.780 . 5.780 3.103 1.959 4.198 . 0 0 "[ . 1 . 2]" 1
306 1 17 CYS HB2 1 45 LEU MD1 6.070 . 6.070 3.217 2.839 3.756 . 0 0 "[ . 1 . 2]" 1
307 1 17 CYS QB 1 18 SER H 4.510 . 4.510 3.228 2.376 3.447 . 0 0 "[ . 1 . 2]" 1
308 1 17 CYS QB 1 31 ILE MD 6.160 . 6.160 3.469 3.162 3.763 . 0 0 "[ . 1 . 2]" 1
309 1 17 CYS QB 1 31 ILE MG 6.170 . 6.170 3.569 2.230 4.007 . 0 0 "[ . 1 . 2]" 1
310 1 17 CYS QB 1 34 VAL HA 4.890 . 4.890 3.280 2.940 3.837 . 0 0 "[ . 1 . 2]" 1
311 1 17 CYS QB 1 34 VAL QG 6.460 . 6.460 2.012 1.698 2.707 0.102 8 0 "[ . 1 . 2]" 1
312 1 17 CYS QB 1 35 LYS H 5.340 . 5.340 3.936 3.622 4.621 . 0 0 "[ . 1 . 2]" 1
313 1 17 CYS QB 1 40 SER QB 6.040 . 6.040 1.952 1.796 2.089 0.004 9 0 "[ . 1 . 2]" 1
314 1 17 CYS QB 1 45 LEU MD1 6.280 . 6.280 2.793 2.459 3.027 . 0 0 "[ . 1 . 2]" 1
315 1 17 CYS H 2 8 LEU QB 5.150 . 5.150 3.250 2.568 3.657 . 0 0 "[ . 1 . 2]" 1
316 1 17 CYS H 2 8 LEU H 4.040 . 4.040 3.593 3.268 4.035 . 0 0 "[ . 1 . 2]" 1
317 1 17 CYS H 1 18 SER H 4.450 . 4.450 4.391 4.332 4.456 0.006 1 0 "[ . 1 . 2]" 1
318 1 17 CYS H 1 35 LYS H 5.220 . 5.220 4.784 4.517 5.040 . 0 0 "[ . 1 . 2]" 1
319 1 18 SER HA 2 5 ILE MG 5.850 . 5.850 4.266 3.927 4.636 . 0 0 "[ . 1 . 2]" 1
320 1 18 SER HA 2 7 GLU HA 3.490 . 3.490 2.352 2.006 2.589 . 0 0 "[ . 1 . 2]" 1
321 1 18 SER HA 2 7 GLU HB3 5.480 . 5.480 4.716 4.176 5.270 . 0 0 "[ . 1 . 2]" 1
322 1 18 SER HA 2 7 GLU HB2 5.480 . 5.480 5.327 4.993 5.477 . 0 0 "[ . 1 . 2]" 1
323 1 18 SER HA 2 7 GLU QB 5.500 . 5.500 4.413 3.976 4.764 . 0 0 "[ . 1 . 2]" 1
324 1 18 SER HA 2 7 GLU QG 5.460 . 5.460 3.999 3.638 4.448 . 0 0 "[ . 1 . 2]" 1
325 1 18 SER HA 2 8 LEU QD 7.540 . 7.540 2.784 1.953 3.700 . 0 0 "[ . 1 . 2]" 1
326 1 18 SER HA 2 8 LEU HG 5.270 . 5.270 3.356 2.519 4.300 . 0 0 "[ . 1 . 2]" 1
327 1 18 SER HA 2 8 LEU H 3.700 . 3.700 2.496 2.078 2.879 . 0 0 "[ . 1 . 2]" 1
328 1 18 SER HA 1 19 ILE H 3.360 . 3.360 2.508 2.208 2.547 . 0 0 "[ . 1 . 2]" 1
329 1 18 SER QB 2 5 ILE MD 7.360 . 7.360 4.501 4.068 5.113 . 0 0 "[ . 1 . 2]" 1
330 1 18 SER QB 2 5 ILE MG 5.620 . 5.620 2.355 1.957 3.211 . 0 0 "[ . 1 . 2]" 1
331 1 18 SER QB 2 7 GLU HA 5.610 . 5.610 2.999 1.980 3.489 . 0 0 "[ . 1 . 2]" 1
332 1 18 SER QB 2 7 GLU QG 6.920 . 6.920 3.169 1.902 3.818 . 0 0 "[ . 1 . 2]" 1
333 1 18 SER QB 2 8 LEU H 5.850 . 5.850 4.154 3.495 4.614 . 0 0 "[ . 1 . 2]" 1
334 1 18 SER QB 1 19 ILE H 4.750 . 4.750 2.416 2.184 3.631 . 0 0 "[ . 1 . 2]" 1
335 1 18 SER QB 1 33 HIS HA 6.380 . 6.380 5.199 4.810 5.648 . 0 0 "[ . 1 . 2]" 1
336 1 18 SER QB 1 33 HIS HB3 6.250 . 6.250 4.623 3.950 5.436 . 0 0 "[ . 1 . 2]" 1
337 1 18 SER QB 1 33 HIS HB2 6.250 . 6.250 4.673 3.824 5.301 . 0 0 "[ . 1 . 2]" 1
338 1 18 SER QB 1 33 HIS QB 6.300 . 6.300 4.056 3.683 4.749 . 0 0 "[ . 1 . 2]" 1
339 1 18 SER H 1 31 ILE MD 6.520 . 6.520 4.339 4.159 4.626 . 0 0 "[ . 1 . 2]" 1
340 1 18 SER H 1 31 ILE MG 5.340 . 5.340 3.660 3.001 4.227 . 0 0 "[ . 1 . 2]" 1
341 1 18 SER H 1 32 SER QB 5.650 . 5.650 3.321 3.141 3.434 . 0 0 "[ . 1 . 2]" 1
342 1 18 SER H 1 32 SER H 4.420 . 4.420 3.394 3.011 3.755 . 0 0 "[ . 1 . 2]" 1
343 1 18 SER H 1 33 HIS QB 6.220 . 6.220 4.874 4.576 5.409 . 0 0 "[ . 1 . 2]" 1
344 1 18 SER H 1 33 HIS H 4.630 . 4.630 4.657 4.637 4.687 0.057 2 0 "[ . 1 . 2]" 1
345 1 18 SER H 1 34 VAL HA 4.500 . 4.500 3.580 3.319 3.870 . 0 0 "[ . 1 . 2]" 1
346 1 18 SER H 1 34 VAL QG 6.760 . 6.760 3.413 2.552 3.858 . 0 0 "[ . 1 . 2]" 1
347 1 19 ILE HA 2 8 LEU QD 7.540 . 7.540 4.112 3.832 4.848 . 0 0 "[ . 1 . 2]" 1
348 1 19 ILE HA 1 20 SER H 3.240 . 3.240 2.251 2.155 2.525 . 0 0 "[ . 1 . 2]" 1
349 1 19 ILE HA 1 29 ILE MG 5.470 . 5.470 4.144 3.829 4.328 . 0 0 "[ . 1 . 2]" 1
350 1 19 ILE HA 1 31 ILE HA 3.690 . 3.690 2.371 2.189 2.516 . 0 0 "[ . 1 . 2]" 1
351 1 19 ILE HA 1 31 ILE MD 5.090 . 5.090 3.447 3.155 3.720 . 0 0 "[ . 1 . 2]" 1
352 1 19 ILE HA 1 32 SER HA 5.260 . 5.260 4.704 4.556 4.934 . 0 0 "[ . 1 . 2]" 1
353 1 19 ILE HA 1 32 SER H 3.950 . 3.950 2.544 2.244 2.857 . 0 0 "[ . 1 . 2]" 1
354 1 19 ILE HB 1 20 SER QB 6.220 . 6.220 5.139 4.461 5.389 . 0 0 "[ . 1 . 2]" 1
355 1 19 ILE HB 1 20 SER H 3.690 . 3.690 2.783 2.058 3.100 . 0 0 "[ . 1 . 2]" 1
356 1 19 ILE HB 1 29 ILE MD 5.460 . 5.460 4.267 4.082 4.400 . 0 0 "[ . 1 . 2]" 1
357 1 19 ILE HB 1 29 ILE MG 4.470 . 4.470 2.326 2.036 2.526 . 0 0 "[ . 1 . 2]" 1
358 1 19 ILE HB 1 30 PHE HA 5.500 . 5.500 5.298 5.109 5.506 0.006 1 0 "[ . 1 . 2]" 1
359 1 19 ILE HB 1 30 PHE H 4.500 . 4.500 3.729 3.574 4.355 . 0 0 "[ . 1 . 2]" 1
360 1 19 ILE HB 1 31 ILE HA 4.960 . 4.960 4.137 4.018 4.357 . 0 0 "[ . 1 . 2]" 1
361 1 19 ILE MD 2 6 THR HB 5.250 . 5.250 3.026 2.595 3.531 . 0 0 "[ . 1 . 2]" 1
362 1 19 ILE MD 2 6 THR MG 6.250 . 6.250 3.420 2.820 3.875 . 0 0 "[ . 1 . 2]" 1
363 1 19 ILE MD 2 8 LEU MD1 5.480 . 5.480 2.035 1.865 2.518 . 0 0 "[ . 1 . 2]" 1
364 1 19 ILE MD 2 8 LEU MD2 5.480 . 5.480 2.318 1.936 2.885 . 0 0 "[ . 1 . 2]" 1
365 1 19 ILE MD 2 8 LEU QD 6.130 . 6.130 1.874 1.717 2.280 0.083 6 0 "[ . 1 . 2]" 1
366 1 19 ILE MD 1 20 SER H 5.980 . 5.980 4.711 4.091 4.974 . 0 0 "[ . 1 . 2]" 1
367 1 19 ILE MD 1 29 ILE MD 5.570 . 5.570 3.420 3.104 3.550 . 0 0 "[ . 1 . 2]" 1
368 1 19 ILE MD 1 29 ILE MG 5.180 . 5.180 2.305 1.975 2.583 . 0 0 "[ . 1 . 2]" 1
369 1 19 ILE MD 1 31 ILE HA 6.520 . 6.520 5.367 5.323 5.391 . 0 0 "[ . 1 . 2]" 1
370 1 19 ILE MD 1 67 ALA MB 5.110 . 5.110 2.296 1.923 2.609 . 0 0 "[ . 1 . 2]" 1
371 1 19 ILE MD 1 68 VAL HA 5.120 . 5.120 2.865 2.592 3.138 . 0 0 "[ . 1 . 2]" 1
372 1 19 ILE MD 1 68 VAL HB 6.190 . 6.190 4.118 3.974 4.290 . 0 0 "[ . 1 . 2]" 1
373 1 19 ILE MD 1 68 VAL H 5.530 . 5.530 3.246 2.970 3.463 . 0 0 "[ . 1 . 2]" 1
374 1 19 ILE MD 1 71 LEU QD 6.860 . 6.860 3.926 3.597 4.177 . 0 0 "[ . 1 . 2]" 1
375 1 19 ILE HG13 2 6 THR HA 5.500 . 5.500 4.990 4.639 5.448 . 0 0 "[ . 1 . 2]" 1
376 1 19 ILE HG13 2 6 THR HB 4.680 . 4.680 2.413 1.994 2.860 . 0 0 "[ . 1 . 2]" 1
377 1 19 ILE HG13 1 20 SER HA 5.280 . 5.280 4.294 3.929 4.623 . 0 0 "[ . 1 . 2]" 1
378 1 19 ILE HG12 2 6 THR HB 5.160 . 5.160 2.828 2.379 3.422 . 0 0 "[ . 1 . 2]" 1
379 1 19 ILE HG12 2 8 LEU QD 5.620 . 5.620 2.083 1.835 2.675 . 0 0 "[ . 1 . 2]" 1
380 1 19 ILE HG12 1 68 VAL HA 5.500 . 5.500 5.018 4.405 5.408 . 0 0 "[ . 1 . 2]" 1
381 1 19 ILE MG 2 8 LEU QB 7.240 . 7.240 4.054 3.498 4.509 . 0 0 "[ . 1 . 2]" 1
382 1 19 ILE MG 2 8 LEU QD 6.260 . 6.260 1.905 1.709 2.386 0.091 3 0 "[ . 1 . 2]" 1
383 1 19 ILE MG 1 20 SER H 5.090 . 5.090 3.583 3.371 3.775 . 0 0 "[ . 1 . 2]" 1
384 1 19 ILE MG 1 29 ILE MG 4.920 . 4.920 2.421 2.077 2.891 . 0 0 "[ . 1 . 2]" 1
385 1 19 ILE MG 1 31 ILE HA 4.650 . 4.650 2.523 2.221 2.745 . 0 0 "[ . 1 . 2]" 1
386 1 19 ILE MG 1 31 ILE MD 4.940 . 4.940 2.073 1.905 2.267 . 0 0 "[ . 1 . 2]" 1
387 1 19 ILE MG 1 68 VAL HA 6.520 . 6.520 5.095 4.881 5.296 . 0 0 "[ . 1 . 2]" 1
388 1 19 ILE H 2 8 LEU QD 6.910 . 6.910 3.285 2.231 3.959 . 0 0 "[ . 1 . 2]" 1
389 1 19 ILE H 2 8 LEU HG 4.610 . 4.610 4.190 3.596 4.611 0.001 18 0 "[ . 1 . 2]" 1
390 1 19 ILE H 1 19 ILE HB 4.160 . 4.160 3.815 3.675 3.880 . 0 0 "[ . 1 . 2]" 1
391 1 19 ILE H 1 19 ILE HG13 3.870 . 3.870 2.821 2.653 2.990 . 0 0 "[ . 1 . 2]" 1
392 1 19 ILE H 1 19 ILE HG12 4.070 . 4.070 2.341 1.959 2.576 . 0 0 "[ . 1 . 2]" 1
393 1 20 SER HA 2 5 ILE HA 4.530 . 4.530 2.554 2.233 3.028 . 0 0 "[ . 1 . 2]" 1
394 1 20 SER HA 2 5 ILE QG 5.280 . 5.280 3.310 2.576 4.471 . 0 0 "[ . 1 . 2]" 1
395 1 20 SER HA 2 5 ILE MG 5.490 . 5.490 3.515 2.901 3.952 . 0 0 "[ . 1 . 2]" 1
396 1 20 SER HA 1 21 SER H 3.560 . 3.560 2.389 2.362 2.409 . 0 0 "[ . 1 . 2]" 1
397 1 20 SER HB3 2 3 LEU HB3 5.500 . 5.500 4.949 3.421 5.502 0.002 2 0 "[ . 1 . 2]" 1
398 1 20 SER HB3 2 5 ILE MD 6.010 . 6.010 3.683 2.782 4.969 . 0 0 "[ . 1 . 2]" 1
399 1 20 SER HB2 2 3 LEU HB3 5.500 . 5.500 4.216 3.321 5.328 . 0 0 "[ . 1 . 2]" 1
400 1 20 SER HB2 2 5 ILE MD 6.010 . 6.010 4.121 1.874 4.928 . 0 0 "[ . 1 . 2]" 1
401 1 20 SER QB 2 3 LEU HB3 5.650 . 5.650 3.860 3.274 4.677 . 0 0 "[ . 1 . 2]" 1
402 1 20 SER QB 2 3 LEU HB2 5.410 . 5.410 3.462 2.601 4.590 . 0 0 "[ . 1 . 2]" 1
403 1 20 SER QB 2 3 LEU MD1 6.410 . 6.410 3.411 2.932 4.215 . 0 0 "[ . 1 . 2]" 1
404 1 20 SER QB 2 5 ILE HB 6.220 . 6.220 4.885 4.238 5.608 . 0 0 "[ . 1 . 2]" 1
405 1 20 SER QB 2 5 ILE MD 6.150 . 6.150 3.282 1.864 4.217 . 0 0 "[ . 1 . 2]" 1
406 1 20 SER QB 2 5 ILE QG 5.530 . 5.530 2.377 1.935 3.884 . 0 0 "[ . 1 . 2]" 1
407 1 20 SER QB 2 5 ILE MG 6.360 . 6.360 2.993 2.180 3.569 . 0 0 "[ . 1 . 2]" 1
408 1 20 SER QB 1 30 PHE H 6.090 . 6.090 4.503 3.491 4.879 . 0 0 "[ . 1 . 2]" 1
409 1 20 SER QB 1 32 SER QB 5.970 . 5.970 3.759 2.822 4.624 . 0 0 "[ . 1 . 2]" 1
410 1 20 SER H 1 20 SER HB3 4.000 . 4.000 3.259 2.610 3.833 . 0 0 "[ . 1 . 2]" 1
411 1 20 SER H 1 20 SER HB2 4.000 . 4.000 3.515 2.732 3.846 . 0 0 "[ . 1 . 2]" 1
412 1 20 SER H 1 29 ILE MG 5.280 . 5.280 3.871 3.055 4.267 . 0 0 "[ . 1 . 2]" 1
413 1 20 SER H 1 30 PHE H 4.220 . 4.220 3.020 2.651 3.278 . 0 0 "[ . 1 . 2]" 1
414 1 20 SER H 1 31 ILE HA 4.490 . 4.490 3.614 3.388 3.863 . 0 0 "[ . 1 . 2]" 1
415 1 20 SER H 1 32 SER H 4.650 . 4.650 4.123 3.732 4.654 0.004 8 0 "[ . 1 . 2]" 1
416 1 21 SER HA 1 22 GLY H 3.230 . 3.230 2.252 2.202 2.331 . 0 0 "[ . 1 . 2]" 1
417 1 21 SER HA 1 28 GLY H 4.640 . 4.640 3.870 3.571 4.228 . 0 0 "[ . 1 . 2]" 1
418 1 21 SER HA 1 29 ILE HA 4.070 . 4.070 3.350 2.499 3.558 . 0 0 "[ . 1 . 2]" 1
419 1 21 SER HA 1 29 ILE MD 5.320 . 5.320 3.844 2.644 4.300 . 0 0 "[ . 1 . 2]" 1
420 1 21 SER HA 1 29 ILE MG 5.930 . 5.930 4.650 3.823 4.810 . 0 0 "[ . 1 . 2]" 1
421 1 21 SER HA 1 30 PHE H 4.640 . 4.640 3.375 3.185 3.574 . 0 0 "[ . 1 . 2]" 1
422 1 21 SER HB3 1 22 GLY H 4.510 . 4.510 3.467 2.724 4.119 . 0 0 "[ . 1 . 2]" 1
423 1 21 SER HB3 1 29 ILE MD 6.520 . 6.520 4.853 4.021 5.377 . 0 0 "[ . 1 . 2]" 1
424 1 21 SER HB2 1 22 GLY H 4.510 . 4.510 3.790 2.675 4.346 . 0 0 "[ . 1 . 2]" 1
425 1 21 SER HB2 1 29 ILE MD 6.520 . 6.520 4.798 2.995 5.367 . 0 0 "[ . 1 . 2]" 1
426 1 21 SER QB 2 3 LEU HB3 5.630 . 5.630 3.651 2.871 4.513 . 0 0 "[ . 1 . 2]" 1
427 1 21 SER QB 2 3 LEU HB2 6.220 . 6.220 5.006 4.253 5.600 . 0 0 "[ . 1 . 2]" 1
428 1 21 SER QB 2 3 LEU MD2 6.610 . 6.610 3.582 3.000 4.455 . 0 0 "[ . 1 . 2]" 1
429 1 21 SER QB 2 4 GLU QB 6.160 . 6.160 3.471 2.623 4.382 . 0 0 "[ . 1 . 2]" 1
430 1 21 SER QB 2 4 GLU QG 6.360 . 6.360 4.498 3.506 5.056 . 0 0 "[ . 1 . 2]" 1
431 1 21 SER QB 1 22 GLY H 4.620 . 4.620 3.040 2.622 3.548 . 0 0 "[ . 1 . 2]" 1
432 1 21 SER QB 1 29 ILE MD 6.640 . 6.640 4.208 2.917 4.749 . 0 0 "[ . 1 . 2]" 1
433 1 21 SER H 2 3 LEU HB2 5.160 . 5.160 3.804 3.179 4.788 . 0 0 "[ . 1 . 2]" 1
434 1 21 SER H 1 22 GLY H 5.280 . 5.280 4.526 4.501 4.547 . 0 0 "[ . 1 . 2]" 1
435 1 21 SER H 1 30 PHE H 5.230 . 5.230 4.885 4.681 5.059 . 0 0 "[ . 1 . 2]" 1
436 1 22 GLY HA3 1 89 LEU MD1 6.410 . 6.410 2.851 1.919 4.168 . 0 0 "[ . 1 . 2]" 1
437 1 22 GLY HA3 1 89 LEU MD2 6.410 . 6.410 4.383 3.356 4.874 . 0 0 "[ . 1 . 2]" 1
438 1 22 GLY HA2 1 89 LEU MD1 6.410 . 6.410 3.304 2.553 3.984 . 0 0 "[ . 1 . 2]" 1
439 1 22 GLY HA2 1 89 LEU MD2 6.410 . 6.410 4.894 4.264 5.378 . 0 0 "[ . 1 . 2]" 1
440 1 22 GLY QA 2 3 LEU MD1 6.110 . 6.110 2.729 1.966 3.707 . 0 0 "[ . 1 . 2]" 1
441 1 22 GLY QA 2 3 LEU MD2 6.530 . 6.530 2.832 2.015 3.454 . 0 0 "[ . 1 . 2]" 1
442 1 22 GLY QA 1 28 GLY H 5.290 . 5.290 3.388 2.007 4.107 . 0 0 "[ . 1 . 2]" 1
443 1 22 GLY QA 1 89 LEU QD 7.020 . 7.020 2.601 1.866 3.258 . 0 0 "[ . 1 . 2]" 1
444 1 22 GLY H 2 3 LEU MD2 6.170 . 6.170 4.363 3.981 4.851 . 0 0 "[ . 1 . 2]" 1
445 1 22 GLY H 1 23 PRO HD3 5.370 . 5.370 5.152 5.044 5.234 . 0 0 "[ . 1 . 2]" 1
446 1 22 GLY H 1 23 PRO HD2 5.500 . 5.500 4.640 4.398 4.839 . 0 0 "[ . 1 . 2]" 1
447 1 22 GLY H 1 27 PRO HA 4.560 . 4.560 3.322 3.014 3.859 . 0 0 "[ . 1 . 2]" 1
448 1 22 GLY H 1 28 GLY QA 6.220 . 6.220 4.223 3.790 4.639 . 0 0 "[ . 1 . 2]" 1
449 1 22 GLY H 1 28 GLY H 3.890 . 3.890 2.409 1.970 2.886 . 0 0 "[ . 1 . 2]" 1
450 1 23 PRO HA 2 3 LEU MD2 4.790 . 4.790 3.220 2.788 3.672 . 0 0 "[ . 1 . 2]" 1
451 1 23 PRO HA 1 24 ILE MD 5.970 . 5.970 4.144 3.277 4.795 . 0 0 "[ . 1 . 2]" 1
452 1 23 PRO HA 1 24 ILE H 2.960 . 2.960 2.710 2.621 2.786 . 0 0 "[ . 1 . 2]" 1
453 1 23 PRO HA 1 89 LEU QD 7.540 . 7.540 4.938 4.679 5.112 . 0 0 "[ . 1 . 2]" 1
454 1 23 PRO HB3 2 3 LEU MD2 5.470 . 5.470 3.661 2.880 4.142 . 0 0 "[ . 1 . 2]" 1
455 1 23 PRO HB3 1 24 ILE H 3.720 . 3.720 3.158 3.053 3.234 . 0 0 "[ . 1 . 2]" 1
456 1 23 PRO HB2 2 3 LEU MD2 6.350 . 6.350 4.917 4.305 5.298 . 0 0 "[ . 1 . 2]" 1
457 1 23 PRO HB2 1 24 ILE H 3.410 . 3.410 1.930 1.818 2.109 . 0 0 "[ . 1 . 2]" 1
458 1 23 PRO HB2 1 25 GLN QE 5.390 . 5.390 3.604 2.253 4.472 . 0 0 "[ . 1 . 2]" 1
459 1 23 PRO HB2 1 25 GLN H 3.610 . 3.610 2.403 2.303 2.563 . 0 0 "[ . 1 . 2]" 1
460 1 23 PRO HB2 1 26 LYS H 4.330 . 4.330 3.685 3.293 4.027 . 0 0 "[ . 1 . 2]" 1
461 1 23 PRO HD3 2 3 LEU MD2 5.360 . 5.360 3.211 2.402 3.905 . 0 0 "[ . 1 . 2]" 1
462 1 23 PRO HD3 1 89 LEU MD1 5.640 . 5.640 2.891 2.080 3.657 . 0 0 "[ . 1 . 2]" 1
463 1 23 PRO HD3 1 89 LEU MD2 5.640 . 5.640 3.823 2.738 4.767 . 0 0 "[ . 1 . 2]" 1
464 1 23 PRO HD2 2 3 LEU MD1 5.980 . 5.980 4.421 3.686 4.804 . 0 0 "[ . 1 . 2]" 1
465 1 23 PRO HD2 2 3 LEU MD2 6.160 . 6.160 4.364 3.781 4.864 . 0 0 "[ . 1 . 2]" 1
466 1 23 PRO HD2 1 24 ILE H 5.500 . 5.500 5.276 5.146 5.417 . 0 0 "[ . 1 . 2]" 1
467 1 23 PRO HD2 1 26 LYS HB3 5.500 . 5.500 3.665 2.522 5.009 . 0 0 "[ . 1 . 2]" 1
468 1 23 PRO HD2 1 26 LYS HB2 5.500 . 5.500 4.040 3.140 4.960 . 0 0 "[ . 1 . 2]" 1
469 1 23 PRO HD2 1 26 LYS QB 5.710 . 5.710 3.232 2.493 3.596 . 0 0 "[ . 1 . 2]" 1
470 1 23 PRO HD2 1 26 LYS QD 6.380 . 6.380 4.973 3.699 5.531 . 0 0 "[ . 1 . 2]" 1
471 1 23 PRO HD2 1 26 LYS QG 6.330 . 6.330 5.182 4.063 5.639 . 0 0 "[ . 1 . 2]" 1
472 1 23 PRO HD2 1 89 LEU MD1 5.400 . 5.400 2.011 1.836 2.382 . 0 0 "[ . 1 . 2]" 1
473 1 23 PRO HD2 1 89 LEU MD2 5.400 . 5.400 2.936 1.959 3.830 . 0 0 "[ . 1 . 2]" 1
474 1 23 PRO HD2 1 89 LEU QD 5.220 . 5.220 1.923 1.825 2.100 . 0 0 "[ . 1 . 2]" 1
475 1 23 PRO HD2 1 89 LEU HG 4.650 . 4.650 4.057 2.447 4.660 0.010 3 0 "[ . 1 . 2]" 1
476 1 23 PRO HG3 1 24 ILE H 5.200 . 5.200 4.529 4.415 4.695 . 0 0 "[ . 1 . 2]" 1
477 1 23 PRO HG3 1 89 LEU MD1 5.660 . 5.660 3.411 1.872 4.458 . 0 0 "[ . 1 . 2]" 1
478 1 23 PRO HG3 1 89 LEU MD2 5.660 . 5.660 3.395 2.337 4.697 . 0 0 "[ . 1 . 2]" 1
479 1 23 PRO HG3 1 89 LEU QD 5.830 . 5.830 2.662 1.870 3.139 . 0 0 "[ . 1 . 2]" 1
480 1 23 PRO HG2 1 24 ILE H 4.110 . 4.110 3.801 3.643 4.022 . 0 0 "[ . 1 . 2]" 1
481 1 23 PRO HG2 1 25 GLN H 3.650 . 3.650 3.005 2.619 3.356 . 0 0 "[ . 1 . 2]" 1
482 1 24 ILE HA 1 24 ILE HG13 4.140 . 4.140 2.666 2.389 3.783 . 0 0 "[ . 1 . 2]" 1
483 1 24 ILE HA 1 24 ILE HG12 4.140 . 4.140 3.149 2.823 3.501 . 0 0 "[ . 1 . 2]" 1
484 1 24 ILE HA 1 26 LYS H 4.220 . 4.220 3.984 3.560 4.187 . 0 0 "[ . 1 . 2]" 1
485 1 24 ILE HA 1 27 PRO QB 5.220 . 5.220 3.386 3.022 4.188 . 0 0 "[ . 1 . 2]" 1
486 1 24 ILE HA 1 27 PRO QG 5.220 . 5.220 3.092 1.967 4.063 . 0 0 "[ . 1 . 2]" 1
487 1 24 ILE HB 1 25 GLN HA 5.270 . 5.270 4.212 4.168 4.287 . 0 0 "[ . 1 . 2]" 1
488 1 24 ILE HB 1 25 GLN H 4.060 . 4.060 2.953 2.873 3.082 . 0 0 "[ . 1 . 2]" 1
489 1 24 ILE MD 1 25 GLN QE 7.000 . 7.000 3.800 2.576 5.059 . 0 0 "[ . 1 . 2]" 1
490 1 24 ILE QG 1 25 GLN H 5.770 . 5.770 4.149 3.912 4.369 . 0 0 "[ . 1 . 2]" 1
491 1 24 ILE MG 1 25 GLN HA 4.950 . 4.950 3.800 3.650 3.970 . 0 0 "[ . 1 . 2]" 1
492 1 24 ILE MG 1 25 GLN QE 7.140 . 7.140 4.447 2.663 5.260 . 0 0 "[ . 1 . 2]" 1
493 1 24 ILE MG 1 25 GLN QG 6.270 . 6.270 4.195 3.773 4.354 . 0 0 "[ . 1 . 2]" 1
494 1 24 ILE MG 1 25 GLN H 5.070 . 5.070 3.828 3.732 3.926 . 0 0 "[ . 1 . 2]" 1
495 1 24 ILE H 1 24 ILE HB 3.090 . 3.090 2.598 2.522 2.661 . 0 0 "[ . 1 . 2]" 1
496 1 24 ILE H 1 24 ILE MD 4.330 . 4.330 2.675 1.930 3.153 . 0 0 "[ . 1 . 2]" 1
497 1 24 ILE H 1 24 ILE QG 4.380 . 4.380 2.326 2.034 2.747 . 0 0 "[ . 1 . 2]" 1
498 1 24 ILE H 1 25 GLN HB2 5.500 . 5.500 4.605 4.322 4.988 . 0 0 "[ . 1 . 2]" 1
499 1 24 ILE H 1 26 LYS H 4.950 . 4.950 4.050 3.901 4.206 . 0 0 "[ . 1 . 2]" 1
500 1 24 ILE H 1 89 LEU QD 7.540 . 7.540 5.448 5.049 5.605 . 0 0 "[ . 1 . 2]" 1
501 1 25 GLN HA 1 25 GLN HG3 3.980 . 3.980 2.708 2.300 3.856 . 0 0 "[ . 1 . 2]" 1
502 1 25 GLN HA 1 25 GLN HG2 3.980 . 3.980 3.176 2.679 3.560 . 0 0 "[ . 1 . 2]" 1
503 1 25 GLN HA 1 26 LYS HA 4.700 . 4.700 4.525 4.479 4.547 . 0 0 "[ . 1 . 2]" 1
504 1 25 GLN HB2 1 26 LYS H 3.650 . 3.650 2.970 2.810 3.638 . 0 0 "[ . 1 . 2]" 1
505 1 25 GLN H 1 25 GLN HB3 3.790 . 3.790 3.580 3.545 3.608 . 0 0 "[ . 1 . 2]" 1
506 1 25 GLN H 1 25 GLN HB2 3.190 . 3.190 2.442 2.279 2.629 . 0 0 "[ . 1 . 2]" 1
507 1 25 GLN H 1 25 GLN QE 5.660 . 5.660 3.105 1.987 3.997 . 0 0 "[ . 1 . 2]" 1
508 1 25 GLN H 1 25 GLN HG3 4.120 . 4.120 2.961 2.412 3.525 . 0 0 "[ . 1 . 2]" 1
509 1 25 GLN H 1 25 GLN HG2 4.120 . 4.120 3.579 1.951 4.117 . 0 0 "[ . 1 . 2]" 1
510 1 25 GLN H 1 26 LYS H 3.230 . 3.230 2.545 2.415 2.642 . 0 0 "[ . 1 . 2]" 1
511 1 26 LYS HA 1 26 LYS QD 4.590 . 4.590 3.911 3.457 4.077 . 0 0 "[ . 1 . 2]" 1
512 1 26 LYS HA 1 27 PRO HD3 3.730 . 3.730 2.836 2.493 3.174 . 0 0 "[ . 1 . 2]" 1
513 1 26 LYS HA 1 27 PRO HD2 3.730 . 3.730 2.368 2.123 2.744 . 0 0 "[ . 1 . 2]" 1
514 1 26 LYS HA 1 27 PRO QG 5.400 . 5.400 4.097 3.959 4.241 . 0 0 "[ . 1 . 2]" 1
515 1 26 LYS HB3 1 89 LEU MD1 5.710 . 5.710 2.399 1.863 3.619 . 0 0 "[ . 1 . 2]" 1
516 1 26 LYS HB3 1 89 LEU MD2 5.710 . 5.710 2.367 1.840 3.245 . 0 0 "[ . 1 . 2]" 1
517 1 26 LYS HB2 1 89 LEU MD1 5.710 . 5.710 2.917 1.948 4.494 . 0 0 "[ . 1 . 2]" 1
518 1 26 LYS HB2 1 89 LEU MD2 5.710 . 5.710 2.316 1.917 3.089 . 0 0 "[ . 1 . 2]" 1
519 1 26 LYS QB 1 27 PRO QD 6.260 . 6.260 3.840 3.762 3.872 . 0 0 "[ . 1 . 2]" 1
520 1 26 LYS QB 1 89 LEU QD 6.300 . 6.300 1.769 1.623 2.107 0.177 10 0 "[ . 1 . 2]" 1
521 1 26 LYS QD 1 27 PRO QD 7.030 . 7.030 5.351 5.121 5.539 . 0 0 "[ . 1 . 2]" 1
522 1 26 LYS QD 1 89 LEU HA 6.380 . 6.380 4.928 3.983 5.445 . 0 0 "[ . 1 . 2]" 1
523 1 26 LYS QD 1 89 LEU MD1 5.860 . 5.860 2.766 1.898 3.955 . 0 0 "[ . 1 . 2]" 1
524 1 26 LYS QD 1 89 LEU MD2 5.860 . 5.860 2.035 1.829 2.630 . 0 0 "[ . 1 . 2]" 1
525 1 26 LYS QD 1 89 LEU QD 6.360 . 6.360 1.934 1.658 2.398 0.142 11 0 "[ . 1 . 2]" 1
526 1 26 LYS QD 1 89 LEU HG 5.890 . 5.890 3.152 2.039 4.435 . 0 0 "[ . 1 . 2]" 1
527 1 26 LYS HE3 1 89 LEU MD1 5.800 . 5.800 4.042 2.768 4.695 . 0 0 "[ . 1 . 2]" 1
528 1 26 LYS HE3 1 89 LEU MD2 5.800 . 5.800 3.712 1.994 4.577 . 0 0 "[ . 1 . 2]" 1
529 1 26 LYS HE2 1 89 LEU MD1 5.800 . 5.800 4.135 2.715 4.753 . 0 0 "[ . 1 . 2]" 1
530 1 26 LYS HE2 1 89 LEU MD2 5.800 . 5.800 3.605 2.395 4.367 . 0 0 "[ . 1 . 2]" 1
531 1 26 LYS QE 1 89 LEU QD 6.500 . 6.500 2.869 1.893 3.375 . 0 0 "[ . 1 . 2]" 1
532 1 26 LYS QG 1 27 PRO HD3 5.860 . 5.860 4.644 4.303 4.968 . 0 0 "[ . 1 . 2]" 1
533 1 26 LYS QG 1 27 PRO HD2 5.860 . 5.860 4.125 3.754 4.530 . 0 0 "[ . 1 . 2]" 1
534 1 26 LYS QG 1 27 PRO QD 6.140 . 6.140 3.836 3.603 3.998 . 0 0 "[ . 1 . 2]" 1
535 1 26 LYS QG 1 89 LEU MD1 5.870 . 5.870 3.387 1.930 4.210 . 0 0 "[ . 1 . 2]" 1
536 1 26 LYS QG 1 89 LEU MD2 5.870 . 5.870 3.184 2.588 3.672 . 0 0 "[ . 1 . 2]" 1
537 1 26 LYS H 1 27 PRO HD3 4.040 . 4.040 2.688 2.186 3.121 . 0 0 "[ . 1 . 2]" 1
538 1 26 LYS H 1 27 PRO HD2 4.040 . 4.040 3.817 3.155 4.043 0.003 12 0 "[ . 1 . 2]" 1
539 1 26 LYS H 1 27 PRO QD 4.360 . 4.360 2.631 2.148 3.019 . 0 0 "[ . 1 . 2]" 1
540 1 27 PRO HA 1 28 GLY QA 5.720 . 5.720 3.928 3.916 3.944 . 0 0 "[ . 1 . 2]" 1
541 1 27 PRO HA 1 28 GLY H 2.980 . 2.980 2.182 2.155 2.231 . 0 0 "[ . 1 . 2]" 1
542 1 27 PRO HB3 1 28 GLY H 4.070 . 4.070 3.876 3.336 4.073 0.003 17 0 "[ . 1 . 2]" 1
543 1 27 PRO HB2 1 28 GLY H 4.070 . 4.070 3.534 3.116 4.080 0.010 13 0 "[ . 1 . 2]" 1
544 1 27 PRO QB 1 28 GLY H 4.310 . 4.310 3.251 2.978 3.587 . 0 0 "[ . 1 . 2]" 1
545 1 28 GLY HA3 1 29 ILE H 3.560 . 3.560 2.594 2.231 3.027 . 0 0 "[ . 1 . 2]" 1
546 1 28 GLY HA2 1 29 ILE H 3.560 . 3.560 2.544 2.194 2.967 . 0 0 "[ . 1 . 2]" 1
547 1 28 GLY QA 1 29 ILE MD 7.060 . 7.060 3.507 3.291 4.000 . 0 0 "[ . 1 . 2]" 1
548 1 28 GLY QA 1 29 ILE H 3.990 . 3.990 2.259 2.145 2.284 . 0 0 "[ . 1 . 2]" 1
549 1 28 GLY H 1 29 ILE H 4.530 . 4.530 4.354 4.240 4.392 . 0 0 "[ . 1 . 2]" 1
550 1 28 GLY H 1 30 PHE H 5.500 . 5.500 5.496 5.388 5.520 0.020 4 0 "[ . 1 . 2]" 1
551 1 29 ILE HA 1 29 ILE MD 4.520 . 4.520 2.149 1.961 2.332 . 0 0 "[ . 1 . 2]" 1
552 1 29 ILE HA 1 30 PHE H 3.140 . 3.140 2.145 2.128 2.191 . 0 0 "[ . 1 . 2]" 1
553 1 29 ILE HB 1 30 PHE H 4.870 . 4.870 4.219 4.166 4.306 . 0 0 "[ . 1 . 2]" 1
554 1 29 ILE HB 1 51 ILE HB 5.010 . 5.010 2.582 2.042 3.077 . 0 0 "[ . 1 . 2]" 1
555 1 29 ILE HB 1 51 ILE MD 5.590 . 5.590 3.158 2.268 3.851 . 0 0 "[ . 1 . 2]" 1
556 1 29 ILE HB 1 51 ILE MG 5.550 . 5.550 3.999 3.648 4.386 . 0 0 "[ . 1 . 2]" 1
557 1 29 ILE HB 1 54 VAL MG2 6.480 . 6.480 4.924 4.705 5.291 . 0 0 "[ . 1 . 2]" 1
558 1 29 ILE HB 1 62 LEU MD2 6.010 . 6.010 4.302 3.939 4.649 . 0 0 "[ . 1 . 2]" 1
559 1 29 ILE HB 1 67 ALA MB 5.480 . 5.480 3.543 3.376 3.721 . 0 0 "[ . 1 . 2]" 1
560 1 29 ILE MD 1 62 LEU MD1 7.110 . 7.110 4.670 4.470 4.880 . 0 0 "[ . 1 . 2]" 1
561 1 29 ILE MD 1 62 LEU HG 6.120 . 6.120 3.911 3.728 4.152 . 0 0 "[ . 1 . 2]" 1
562 1 29 ILE MD 1 64 HIS HA 4.750 . 4.750 2.116 1.890 2.340 . 0 0 "[ . 1 . 2]" 1
563 1 29 ILE MD 1 64 HIS QB 6.200 . 6.200 3.591 3.288 4.003 . 0 0 "[ . 1 . 2]" 1
564 1 29 ILE MD 1 67 ALA HA 5.740 . 5.740 4.132 3.914 4.631 . 0 0 "[ . 1 . 2]" 1
565 1 29 ILE MD 1 67 ALA MB 5.010 . 5.010 1.898 1.790 2.214 0.010 4 0 "[ . 1 . 2]" 1
566 1 29 ILE QG 1 62 LEU MD2 5.260 . 5.260 2.306 2.074 2.575 . 0 0 "[ . 1 . 2]" 1
567 1 29 ILE QG 1 67 ALA MB 5.550 . 5.550 1.909 1.812 2.157 . 0 0 "[ . 1 . 2]" 1
568 1 29 ILE MG 1 30 PHE HA 5.790 . 5.790 4.065 3.910 4.217 . 0 0 "[ . 1 . 2]" 1
569 1 29 ILE MG 1 30 PHE H 4.930 . 4.930 2.912 2.756 3.143 . 0 0 "[ . 1 . 2]" 1
570 1 29 ILE MG 1 51 ILE HB 4.980 . 4.980 3.197 2.833 3.687 . 0 0 "[ . 1 . 2]" 1
571 1 29 ILE MG 1 51 ILE HG13 5.620 . 5.620 3.906 3.016 4.471 . 0 0 "[ . 1 . 2]" 1
572 1 29 ILE MG 1 51 ILE MG 6.650 . 6.650 4.039 3.688 4.462 . 0 0 "[ . 1 . 2]" 1
573 1 29 ILE MG 1 51 ILE H 5.490 . 5.490 3.844 3.593 4.175 . 0 0 "[ . 1 . 2]" 1
574 1 29 ILE MG 1 64 HIS QB 7.240 . 7.240 5.063 4.771 5.241 . 0 0 "[ . 1 . 2]" 1
575 1 29 ILE MG 1 67 ALA HA 5.410 . 5.410 4.190 4.032 4.352 . 0 0 "[ . 1 . 2]" 1
576 1 29 ILE MG 1 68 VAL HA 6.520 . 6.520 5.327 5.229 5.389 . 0 0 "[ . 1 . 2]" 1
577 1 29 ILE H 1 29 ILE HB 3.500 . 3.500 2.690 2.620 2.815 . 0 0 "[ . 1 . 2]" 1
578 1 29 ILE H 1 29 ILE MD 5.360 . 5.360 3.160 2.903 3.545 . 0 0 "[ . 1 . 2]" 1
579 1 29 ILE H 1 29 ILE QG 4.830 . 4.830 2.154 1.957 2.615 . 0 0 "[ . 1 . 2]" 1
580 1 29 ILE H 1 30 PHE H 4.950 . 4.950 4.350 4.120 4.407 . 0 0 "[ . 1 . 2]" 1
581 1 30 PHE HA 1 31 ILE QG 5.860 . 5.860 3.589 3.357 3.668 . 0 0 "[ . 1 . 2]" 1
582 1 30 PHE HA 1 31 ILE MG 6.520 . 6.520 5.507 5.484 5.527 . 0 0 "[ . 1 . 2]" 1
583 1 30 PHE HA 1 31 ILE H 3.340 . 3.340 2.512 2.468 2.628 . 0 0 "[ . 1 . 2]" 1
584 1 30 PHE HA 1 50 GLN HA 4.300 . 4.300 2.029 1.826 2.400 . 0 0 "[ . 1 . 2]" 1
585 1 30 PHE HA 1 50 GLN H 5.280 . 5.280 4.728 4.461 5.029 . 0 0 "[ . 1 . 2]" 1
586 1 30 PHE HA 1 51 ILE MD 6.520 . 6.520 4.471 3.482 5.283 . 0 0 "[ . 1 . 2]" 1
587 1 30 PHE HA 1 51 ILE HG13 5.190 . 5.190 4.527 4.045 5.118 . 0 0 "[ . 1 . 2]" 1
588 1 30 PHE HA 1 51 ILE H 3.860 . 3.860 3.196 2.887 3.554 . 0 0 "[ . 1 . 2]" 1
589 1 30 PHE HB3 1 31 ILE H 4.080 . 4.080 2.340 2.142 3.279 . 0 0 "[ . 1 . 2]" 1
590 1 30 PHE HB2 1 31 ILE H 4.080 . 4.080 3.204 1.922 3.754 . 0 0 "[ . 1 . 2]" 1
591 1 30 PHE QD 1 31 ILE H 6.190 . 6.190 3.854 3.320 4.282 . 0 0 "[ . 1 . 2]" 1
592 1 30 PHE QD 1 51 ILE H 7.630 . 7.630 5.216 4.161 5.972 . 0 0 "[ . 1 . 2]" 1
593 1 30 PHE QD 1 86 GLY H 6.830 . 6.830 4.721 3.984 6.061 . 0 0 "[ . 1 . 2]" 1
594 1 30 PHE QD 1 87 ARG H 7.240 . 7.240 5.206 4.651 6.273 . 0 0 "[ . 1 . 2]" 1
595 1 31 ILE HA 1 31 ILE MD 4.530 . 4.530 2.095 1.953 2.207 . 0 0 "[ . 1 . 2]" 1
596 1 31 ILE HA 1 32 SER H 3.350 . 3.350 2.159 2.124 2.189 . 0 0 "[ . 1 . 2]" 1
597 1 31 ILE HA 1 34 VAL QG 7.540 . 7.540 5.185 4.886 5.450 . 0 0 "[ . 1 . 2]" 1
598 1 31 ILE HB 1 34 VAL QG 7.540 . 7.540 4.848 4.329 5.125 . 0 0 "[ . 1 . 2]" 1
599 1 31 ILE HB 1 47 ILE HA 4.620 . 4.620 3.496 3.137 3.760 . 0 0 "[ . 1 . 2]" 1
600 1 31 ILE HB 1 48 GLY H 4.460 . 4.460 3.567 3.207 3.960 . 0 0 "[ . 1 . 2]" 1
601 1 31 ILE HB 1 49 ASP H 3.570 . 3.570 2.773 2.359 3.010 . 0 0 "[ . 1 . 2]" 1
602 1 31 ILE MD 1 32 SER H 5.870 . 5.870 3.165 3.037 3.322 . 0 0 "[ . 1 . 2]" 1
603 1 31 ILE MD 1 34 VAL QG 7.300 . 7.300 3.922 3.676 4.225 . 0 0 "[ . 1 . 2]" 1
604 1 31 ILE MD 1 45 LEU HA 6.520 . 6.520 5.159 4.900 5.325 . 0 0 "[ . 1 . 2]" 1
605 1 31 ILE MD 1 45 LEU QB 7.240 . 7.240 3.559 3.397 3.718 . 0 0 "[ . 1 . 2]" 1
606 1 31 ILE MD 1 45 LEU MD1 5.270 . 5.270 2.563 2.199 3.004 . 0 0 "[ . 1 . 2]" 1
607 1 31 ILE MD 1 45 LEU HG 6.510 . 6.510 4.609 4.303 4.913 . 0 0 "[ . 1 . 2]" 1
608 1 31 ILE MD 1 47 ILE HA 6.520 . 6.520 5.357 5.258 5.396 . 0 0 "[ . 1 . 2]" 1
609 1 31 ILE MD 1 49 ASP HB3 5.730 . 5.730 4.383 4.167 4.623 . 0 0 "[ . 1 . 2]" 1
610 1 31 ILE MD 1 49 ASP HB2 5.510 . 5.510 3.984 3.795 4.246 . 0 0 "[ . 1 . 2]" 1
611 1 31 ILE MD 1 51 ILE HA 6.520 . 6.520 5.200 4.849 5.338 . 0 0 "[ . 1 . 2]" 1
612 1 31 ILE MD 1 51 ILE HB 6.520 . 6.520 4.754 4.320 4.957 . 0 0 "[ . 1 . 2]" 1
613 1 31 ILE MD 1 51 ILE MD 5.420 . 5.420 2.110 1.871 2.413 . 0 0 "[ . 1 . 2]" 1
614 1 31 ILE MD 1 51 ILE MG 7.140 . 7.140 4.556 4.239 4.690 . 0 0 "[ . 1 . 2]" 1
615 1 31 ILE MD 1 51 ILE H 6.070 . 6.070 4.159 3.753 4.369 . 0 0 "[ . 1 . 2]" 1
616 1 31 ILE MD 1 81 ILE HB 6.520 . 6.520 4.776 4.440 5.114 . 0 0 "[ . 1 . 2]" 1
617 1 31 ILE HG13 1 49 ASP HB2 5.100 . 5.100 2.414 2.157 2.726 . 0 0 "[ . 1 . 2]" 1
618 1 31 ILE HG12 1 49 ASP HB2 5.100 . 5.100 3.293 2.676 3.656 . 0 0 "[ . 1 . 2]" 1
619 1 31 ILE QG 1 49 ASP HB3 6.080 . 6.080 2.754 2.509 3.001 . 0 0 "[ . 1 . 2]" 1
620 1 31 ILE QG 1 49 ASP HB2 5.320 . 5.320 2.355 2.071 2.650 . 0 0 "[ . 1 . 2]" 1
621 1 31 ILE QG 1 49 ASP H 5.700 . 5.700 4.111 3.811 4.324 . 0 0 "[ . 1 . 2]" 1
622 1 31 ILE QG 1 50 GLN H 5.700 . 5.700 4.082 3.778 4.363 . 0 0 "[ . 1 . 2]" 1
623 1 31 ILE QG 1 81 ILE MD 6.330 . 6.330 3.879 3.699 4.062 . 0 0 "[ . 1 . 2]" 1
624 1 31 ILE MG 1 32 SER QB 7.240 . 7.240 3.945 3.799 4.085 . 0 0 "[ . 1 . 2]" 1
625 1 31 ILE MG 1 32 SER H 4.820 . 4.820 2.279 2.057 2.620 . 0 0 "[ . 1 . 2]" 1
626 1 31 ILE MG 1 33 HIS HA 5.990 . 5.990 4.685 4.560 4.756 . 0 0 "[ . 1 . 2]" 1
627 1 31 ILE MG 1 34 VAL QG 6.080 . 6.080 2.623 2.387 2.857 . 0 0 "[ . 1 . 2]" 1
628 1 31 ILE MG 1 45 LEU HA 5.650 . 5.650 4.193 3.934 4.372 . 0 0 "[ . 1 . 2]" 1
629 1 31 ILE MG 1 45 LEU QB 6.510 . 6.510 2.659 2.436 2.932 . 0 0 "[ . 1 . 2]" 1
630 1 31 ILE MG 1 45 LEU MD2 5.390 . 5.390 2.537 2.077 3.009 . 0 0 "[ . 1 . 2]" 1
631 1 31 ILE MG 1 46 GLU HA 5.590 . 5.590 3.411 3.213 3.631 . 0 0 "[ . 1 . 2]" 1
632 1 31 ILE MG 1 46 GLU H 5.600 . 5.600 2.755 2.374 3.170 . 0 0 "[ . 1 . 2]" 1
633 1 31 ILE MG 1 47 ILE HA 4.460 . 4.460 2.572 2.370 2.862 . 0 0 "[ . 1 . 2]" 1
634 1 31 ILE MG 1 47 ILE QG 6.110 . 6.110 3.540 3.431 3.621 . 0 0 "[ . 1 . 2]" 1
635 1 31 ILE MG 1 47 ILE H 5.330 . 5.330 3.658 3.524 3.781 . 0 0 "[ . 1 . 2]" 1
636 1 31 ILE MG 1 49 ASP HB2 5.980 . 5.980 2.988 2.742 3.444 . 0 0 "[ . 1 . 2]" 1
637 1 31 ILE MG 1 49 ASP H 5.030 . 5.030 3.589 3.234 4.148 . 0 0 "[ . 1 . 2]" 1
638 1 31 ILE H 1 31 ILE HB 3.510 . 3.510 2.453 2.423 2.526 . 0 0 "[ . 1 . 2]" 1
639 1 31 ILE H 1 31 ILE MD 5.570 . 5.570 3.983 3.841 4.089 . 0 0 "[ . 1 . 2]" 1
640 1 31 ILE H 1 31 ILE HG13 4.350 . 4.350 4.075 3.902 4.236 . 0 0 "[ . 1 . 2]" 1
641 1 31 ILE H 1 31 ILE HG12 4.350 . 4.350 2.941 2.667 3.152 . 0 0 "[ . 1 . 2]" 1
642 1 31 ILE H 1 31 ILE QG 4.490 . 4.490 2.877 2.624 3.071 . 0 0 "[ . 1 . 2]" 1
643 1 31 ILE H 1 48 GLY H 4.870 . 4.870 3.643 3.217 4.057 . 0 0 "[ . 1 . 2]" 1
644 1 31 ILE H 1 49 ASP H 4.720 . 4.720 3.898 2.846 4.228 . 0 0 "[ . 1 . 2]" 1
645 1 31 ILE H 1 50 GLN HA 4.480 . 4.480 3.421 3.073 3.884 . 0 0 "[ . 1 . 2]" 1
646 1 32 SER HA 1 33 HIS HA 4.840 . 4.840 4.340 4.325 4.355 . 0 0 "[ . 1 . 2]" 1
647 1 32 SER HA 1 47 ILE HA 4.850 . 4.850 3.325 3.039 3.652 . 0 0 "[ . 1 . 2]" 1
648 1 32 SER HA 1 47 ILE MD 5.850 . 5.850 4.299 3.695 4.801 . 0 0 "[ . 1 . 2]" 1
649 1 32 SER HA 1 47 ILE QG 5.780 . 5.780 2.804 2.485 3.257 . 0 0 "[ . 1 . 2]" 1
650 1 32 SER HA 1 47 ILE MG 4.730 . 4.730 2.680 2.425 2.894 . 0 0 "[ . 1 . 2]" 1
651 1 32 SER HA 1 48 GLY H 4.840 . 4.840 4.260 4.036 4.791 . 0 0 "[ . 1 . 2]" 1
652 1 32 SER HB3 1 33 HIS H 4.510 . 4.510 2.127 1.941 2.990 . 0 0 "[ . 1 . 2]" 1
653 1 32 SER HB3 1 47 ILE MG 6.520 . 6.520 4.983 4.768 5.236 . 0 0 "[ . 1 . 2]" 1
654 1 32 SER HB2 1 33 HIS H 4.510 . 4.510 3.559 3.483 3.632 . 0 0 "[ . 1 . 2]" 1
655 1 32 SER HB2 1 47 ILE MG 6.520 . 6.520 5.143 4.567 5.294 . 0 0 "[ . 1 . 2]" 1
656 1 32 SER QB 2 5 ILE MD 7.240 . 7.240 3.842 3.412 4.249 . 0 0 "[ . 1 . 2]" 1
657 1 32 SER QB 2 5 ILE MG 5.750 . 5.750 2.486 2.224 2.707 . 0 0 "[ . 1 . 2]" 1
658 1 32 SER QB 1 33 HIS HA 6.020 . 6.020 4.339 4.254 4.823 . 0 0 "[ . 1 . 2]" 1
659 1 32 SER QB 1 33 HIS QB 6.520 . 6.520 3.598 3.312 4.127 . 0 0 "[ . 1 . 2]" 1
660 1 32 SER QB 1 33 HIS H 4.660 . 4.660 2.105 1.932 2.827 . 0 0 "[ . 1 . 2]" 1
661 1 32 SER H 1 33 HIS H 4.420 . 4.420 4.373 4.356 4.408 . 0 0 "[ . 1 . 2]" 1
662 1 33 HIS HA 1 34 VAL MG1 6.480 . 6.480 5.088 3.343 5.436 . 0 0 "[ . 1 . 2]" 1
663 1 33 HIS HA 1 34 VAL MG2 6.480 . 6.480 3.455 3.203 4.224 . 0 0 "[ . 1 . 2]" 1
664 1 33 HIS HA 1 34 VAL QG 6.300 . 6.300 3.294 3.178 3.462 . 0 0 "[ . 1 . 2]" 1
665 1 33 HIS HA 1 47 ILE HA 4.860 . 4.860 4.683 4.427 4.867 0.007 13 0 "[ . 1 . 2]" 1
666 1 33 HIS HA 1 47 ILE HB 5.110 . 5.110 4.775 4.487 5.115 0.005 7 0 "[ . 1 . 2]" 1
667 1 33 HIS HA 1 47 ILE MD 4.460 . 4.460 2.256 1.989 2.517 . 0 0 "[ . 1 . 2]" 1
668 1 33 HIS HA 1 47 ILE HG13 4.370 . 4.370 2.371 2.018 2.721 . 0 0 "[ . 1 . 2]" 1
669 1 33 HIS HA 1 47 ILE HG12 4.370 . 4.370 2.654 2.040 3.151 . 0 0 "[ . 1 . 2]" 1
670 1 33 HIS HA 1 47 ILE QG 4.690 . 4.690 2.175 1.944 2.438 . 0 0 "[ . 1 . 2]" 1
671 1 33 HIS HA 1 47 ILE MG 5.710 . 5.710 4.350 3.976 4.677 . 0 0 "[ . 1 . 2]" 1
672 1 33 HIS HB3 1 34 VAL H 4.380 . 4.380 3.561 2.811 4.113 . 0 0 "[ . 1 . 2]" 1
673 1 33 HIS HB3 1 47 ILE MD 6.020 . 6.020 3.827 2.093 4.566 . 0 0 "[ . 1 . 2]" 1
674 1 33 HIS HB2 1 34 VAL H 4.380 . 4.380 3.955 2.972 4.335 . 0 0 "[ . 1 . 2]" 1
675 1 33 HIS HB2 1 47 ILE MD 6.020 . 6.020 3.505 2.549 4.732 . 0 0 "[ . 1 . 2]" 1
676 1 33 HIS QB 1 34 VAL H 4.720 . 4.720 3.208 2.764 3.575 . 0 0 "[ . 1 . 2]" 1
677 1 33 HIS H 2 5 ILE MD 6.520 . 6.520 4.873 4.402 5.192 . 0 0 "[ . 1 . 2]" 1
678 1 33 HIS H 1 33 HIS HB3 3.930 . 3.930 3.031 2.454 3.599 . 0 0 "[ . 1 . 2]" 1
679 1 33 HIS H 1 33 HIS HB2 3.930 . 3.930 2.513 2.075 3.594 . 0 0 "[ . 1 . 2]" 1
680 1 33 HIS H 1 34 VAL H 4.800 . 4.800 4.621 4.576 4.650 . 0 0 "[ . 1 . 2]" 1
681 1 33 HIS H 1 47 ILE QG 4.270 . 4.270 2.803 2.431 3.158 . 0 0 "[ . 1 . 2]" 1
682 1 34 VAL HA 1 35 LYS QG 6.220 . 6.220 3.664 3.176 4.586 . 0 0 "[ . 1 . 2]" 1
683 1 34 VAL HA 1 35 LYS H 3.100 . 3.100 2.315 2.220 2.356 . 0 0 "[ . 1 . 2]" 1
684 1 34 VAL HB 1 35 LYS H 4.460 . 4.460 3.460 2.643 3.922 . 0 0 "[ . 1 . 2]" 1
685 1 34 VAL HB 1 41 ALA HA 5.220 . 5.220 4.925 4.532 5.224 0.004 3 0 "[ . 1 . 2]" 1
686 1 34 VAL HB 1 46 GLU HA 4.770 . 4.770 3.854 3.067 4.785 0.015 4 0 "[ . 1 . 2]" 1
687 1 34 VAL MG1 1 35 LYS H 5.360 . 5.360 2.308 1.928 4.078 . 0 0 "[ . 1 . 2]" 1
688 1 34 VAL MG1 1 40 SER HB3 5.640 . 5.640 3.104 1.886 3.873 . 0 0 "[ . 1 . 2]" 1
689 1 34 VAL MG1 1 40 SER HB2 5.640 . 5.640 2.331 1.826 3.741 . 0 0 "[ . 1 . 2]" 1
690 1 34 VAL MG1 1 45 LEU HA 6.520 . 6.520 4.894 4.452 5.215 . 0 0 "[ . 1 . 2]" 1
691 1 34 VAL MG1 1 45 LEU HB3 6.880 . 6.880 3.253 2.384 3.596 . 0 0 "[ . 1 . 2]" 1
692 1 34 VAL MG1 1 45 LEU HB2 6.880 . 6.880 2.929 2.490 3.297 . 0 0 "[ . 1 . 2]" 1
693 1 34 VAL MG1 1 46 GLU HA 5.760 . 5.760 3.798 2.004 4.400 . 0 0 "[ . 1 . 2]" 1
694 1 34 VAL MG2 1 35 LYS H 5.360 . 5.360 3.878 3.174 4.115 . 0 0 "[ . 1 . 2]" 1
695 1 34 VAL MG2 1 40 SER HB3 5.640 . 5.640 4.170 3.506 4.555 . 0 0 "[ . 1 . 2]" 1
696 1 34 VAL MG2 1 40 SER HB2 5.640 . 5.640 3.428 2.817 4.659 . 0 0 "[ . 1 . 2]" 1
697 1 34 VAL MG2 1 45 LEU HA 6.520 . 6.520 4.331 3.887 5.028 . 0 0 "[ . 1 . 2]" 1
698 1 34 VAL MG2 1 45 LEU HB3 6.880 . 6.880 2.749 2.218 3.782 . 0 0 "[ . 1 . 2]" 1
699 1 34 VAL MG2 1 45 LEU HB2 6.880 . 6.880 3.214 2.679 3.878 . 0 0 "[ . 1 . 2]" 1
700 1 34 VAL MG2 1 46 GLU HA 5.760 . 5.760 2.072 1.817 2.985 . 0 0 "[ . 1 . 2]" 1
701 1 34 VAL QG 1 35 LYS H 5.750 . 5.750 2.176 1.923 3.222 . 0 0 "[ . 1 . 2]" 1
702 1 34 VAL QG 1 36 PRO HA 7.220 . 7.220 4.282 4.040 4.578 . 0 0 "[ . 1 . 2]" 1
703 1 34 VAL QG 1 40 SER HA 7.150 . 7.150 4.029 3.734 4.502 . 0 0 "[ . 1 . 2]" 1
704 1 34 VAL QG 1 40 SER QB 6.410 . 6.410 2.091 1.790 3.117 0.010 7 0 "[ . 1 . 2]" 1
705 1 34 VAL QG 1 41 ALA HA 5.250 . 5.250 3.121 2.800 3.378 . 0 0 "[ . 1 . 2]" 1
706 1 34 VAL QG 1 41 ALA MB 5.900 . 5.900 2.851 2.605 3.073 . 0 0 "[ . 1 . 2]" 1
707 1 34 VAL QG 1 41 ALA H 5.720 . 5.720 3.238 2.908 3.755 . 0 0 "[ . 1 . 2]" 1
708 1 34 VAL QG 1 42 GLU H 7.540 . 7.540 5.059 4.745 5.449 . 0 0 "[ . 1 . 2]" 1
709 1 34 VAL QG 1 45 LEU HA 6.820 . 6.820 4.026 3.665 4.267 . 0 0 "[ . 1 . 2]" 1
710 1 34 VAL QG 1 45 LEU QB 6.680 . 6.680 2.287 2.008 2.528 . 0 0 "[ . 1 . 2]" 1
711 1 34 VAL QG 1 45 LEU MD1 6.580 . 6.580 3.282 2.981 3.485 . 0 0 "[ . 1 . 2]" 1
712 1 34 VAL QG 1 45 LEU H 6.260 . 6.260 3.560 3.101 3.949 . 0 0 "[ . 1 . 2]" 1
713 1 34 VAL QG 1 46 GLU HA 5.510 . 5.510 1.946 1.815 2.396 . 0 0 "[ . 1 . 2]" 1
714 1 34 VAL QG 1 46 GLU QB 7.630 . 7.630 3.602 3.093 4.159 . 0 0 "[ . 1 . 2]" 1
715 1 34 VAL QG 1 46 GLU QG 7.290 . 7.290 3.163 2.553 4.368 . 0 0 "[ . 1 . 2]" 1
716 1 34 VAL QG 1 47 ILE HA 7.110 . 7.110 4.208 3.759 4.492 . 0 0 "[ . 1 . 2]" 1
717 1 34 VAL QG 1 47 ILE H 6.200 . 6.200 3.224 2.871 3.607 . 0 0 "[ . 1 . 2]" 1
718 1 34 VAL H 1 34 VAL HB 3.990 . 3.990 2.927 2.650 3.870 . 0 0 "[ . 1 . 2]" 1
719 1 34 VAL H 1 35 LYS H 4.660 . 4.660 4.501 4.444 4.534 . 0 0 "[ . 1 . 2]" 1
720 1 34 VAL H 1 47 ILE MD 4.650 . 4.650 3.517 3.185 3.677 . 0 0 "[ . 1 . 2]" 1
721 1 35 LYS HA 1 36 PRO HD3 3.670 . 3.670 2.168 1.867 2.462 . 0 0 "[ . 1 . 2]" 1
722 1 35 LYS HA 1 36 PRO HD2 3.670 . 3.670 2.466 2.227 2.875 . 0 0 "[ . 1 . 2]" 1
723 1 35 LYS HA 1 36 PRO QD 4.100 . 4.100 2.012 1.845 2.170 . 0 0 "[ . 1 . 2]" 1
724 1 35 LYS HA 1 36 PRO HG3 4.700 . 4.700 4.341 3.966 4.588 . 0 0 "[ . 1 . 2]" 1
725 1 35 LYS HA 1 36 PRO HG2 4.700 . 4.700 4.481 4.388 4.661 . 0 0 "[ . 1 . 2]" 1
726 1 35 LYS QB 1 36 PRO HD3 5.850 . 5.850 3.567 3.089 4.055 . 0 0 "[ . 1 . 2]" 1
727 1 35 LYS QB 1 36 PRO HD2 5.850 . 5.850 2.602 1.974 3.567 . 0 0 "[ . 1 . 2]" 1
728 1 35 LYS QB 1 36 PRO QD 6.090 . 6.090 2.522 1.962 3.347 . 0 0 "[ . 1 . 2]" 1
729 1 35 LYS QB 1 38 SER QB 6.260 . 6.260 3.620 2.067 5.035 . 0 0 "[ . 1 . 2]" 1
730 1 35 LYS QD 1 38 SER QB 6.950 . 6.950 4.603 3.348 5.396 . 0 0 "[ . 1 . 2]" 1
731 1 35 LYS QG 1 36 PRO QD 6.270 . 6.270 3.537 2.192 4.093 . 0 0 "[ . 1 . 2]" 1
732 1 35 LYS H 1 35 LYS QE 6.110 . 6.110 4.578 3.228 5.435 . 0 0 "[ . 1 . 2]" 1
733 1 35 LYS H 1 35 LYS QG 4.430 . 4.430 2.652 1.982 3.645 . 0 0 "[ . 1 . 2]" 1
734 1 36 PRO HA 1 41 ALA MB 4.470 . 4.470 2.569 1.941 3.080 . 0 0 "[ . 1 . 2]" 1
735 1 36 PRO HA 1 41 ALA H 5.500 . 5.500 5.092 4.499 5.516 0.016 7 0 "[ . 1 . 2]" 1
736 1 36 PRO QB 1 37 GLY QA 6.920 . 6.920 3.598 3.434 3.735 . 0 0 "[ . 1 . 2]" 1
737 1 36 PRO QB 1 41 ALA MB 6.810 . 6.810 3.915 3.219 4.416 . 0 0 "[ . 1 . 2]" 1
738 1 37 GLY HA3 1 41 ALA MB 6.520 . 6.520 4.900 4.498 5.406 . 0 0 "[ . 1 . 2]" 1
739 1 37 GLY HA2 1 41 ALA MB 6.520 . 6.520 4.106 3.514 4.579 . 0 0 "[ . 1 . 2]" 1
740 1 37 GLY QA 1 41 ALA MB 6.550 . 6.550 3.904 3.397 4.341 . 0 0 "[ . 1 . 2]" 1
741 1 37 GLY H 1 38 SER H 3.790 . 3.790 2.874 2.435 3.803 0.013 7 0 "[ . 1 . 2]" 1
742 1 37 GLY H 1 41 ALA MB 6.000 . 6.000 3.146 2.518 4.323 . 0 0 "[ . 1 . 2]" 1
743 1 38 SER HA 1 39 LEU MD1 6.290 . 6.290 4.465 3.770 5.205 . 0 0 "[ . 1 . 2]" 1
744 1 38 SER HA 1 39 LEU MD2 6.290 . 6.290 3.957 2.790 5.229 . 0 0 "[ . 1 . 2]" 1
745 1 38 SER HA 1 39 LEU QD 6.670 . 6.670 3.609 2.746 4.625 . 0 0 "[ . 1 . 2]" 1
746 1 38 SER HA 1 39 LEU H 3.170 . 3.170 2.672 2.435 2.864 . 0 0 "[ . 1 . 2]" 1
747 1 38 SER HA 1 40 SER H 4.800 . 4.800 4.729 4.316 4.818 0.018 15 0 "[ . 1 . 2]" 1
748 1 38 SER HB3 1 39 LEU H 3.780 . 3.780 2.560 2.032 3.565 . 0 0 "[ . 1 . 2]" 1
749 1 38 SER HB2 1 39 LEU H 3.780 . 3.780 2.772 2.015 3.783 0.003 10 0 "[ . 1 . 2]" 1
750 1 38 SER QB 1 39 LEU H 4.020 . 4.020 2.171 1.989 2.551 . 0 0 "[ . 1 . 2]" 1
751 1 38 SER QB 1 40 SER H 4.820 . 4.820 2.859 2.526 3.343 . 0 0 "[ . 1 . 2]" 1
752 1 39 LEU HA 1 39 LEU HG 4.160 . 4.160 3.245 2.632 3.743 . 0 0 "[ . 1 . 2]" 1
753 1 39 LEU HA 1 42 GLU HB3 4.190 . 4.190 3.817 3.464 4.175 . 0 0 "[ . 1 . 2]" 1
754 1 39 LEU HA 1 42 GLU HB2 3.810 . 3.810 2.305 2.027 2.620 . 0 0 "[ . 1 . 2]" 1
755 1 39 LEU HA 1 42 GLU HG3 4.330 . 4.330 3.517 2.909 4.069 . 0 0 "[ . 1 . 2]" 1
756 1 39 LEU HA 1 42 GLU HG2 4.330 . 4.330 4.110 3.635 4.346 0.016 13 0 "[ . 1 . 2]" 1
757 1 39 LEU HA 1 42 GLU H 3.590 . 3.590 3.274 3.092 3.466 . 0 0 "[ . 1 . 2]" 1
758 1 39 LEU HA 1 43 VAL H 4.530 . 4.530 4.117 3.846 4.321 . 0 0 "[ . 1 . 2]" 1
759 1 39 LEU HB3 1 40 SER H 4.140 . 4.140 3.554 3.319 3.917 . 0 0 "[ . 1 . 2]" 1
760 1 39 LEU HB2 1 40 SER H 4.140 . 4.140 2.566 2.409 2.882 . 0 0 "[ . 1 . 2]" 1
761 1 39 LEU QB 1 40 SER H 4.320 . 4.320 2.510 2.357 2.812 . 0 0 "[ . 1 . 2]" 1
762 1 39 LEU QB 1 42 GLU H 6.110 . 6.110 4.675 4.524 4.826 . 0 0 "[ . 1 . 2]" 1
763 1 39 LEU QB 1 43 VAL MG1 6.560 . 6.560 3.384 3.111 3.659 . 0 0 "[ . 1 . 2]" 1
764 1 39 LEU MD1 1 42 GLU HB2 6.520 . 6.520 4.527 3.443 5.505 . 0 0 "[ . 1 . 2]" 1
765 1 39 LEU MD2 1 42 GLU HB2 6.520 . 6.520 4.268 3.172 5.341 . 0 0 "[ . 1 . 2]" 1
766 1 39 LEU QD 1 40 SER H 6.890 . 6.890 3.737 3.380 4.057 . 0 0 "[ . 1 . 2]" 1
767 1 39 LEU QD 1 42 GLU HB3 6.810 . 6.810 4.178 3.838 4.484 . 0 0 "[ . 1 . 2]" 1
768 1 39 LEU QD 1 42 GLU HB2 6.140 . 6.140 3.472 3.153 3.726 . 0 0 "[ . 1 . 2]" 1
769 1 39 LEU QD 1 42 GLU QG 7.360 . 7.360 3.620 3.321 3.891 . 0 0 "[ . 1 . 2]" 1
770 1 39 LEU H 1 39 LEU HB3 3.800 . 3.800 3.599 3.538 3.684 . 0 0 "[ . 1 . 2]" 1
771 1 39 LEU H 1 39 LEU HB2 3.800 . 3.800 2.433 2.262 2.588 . 0 0 "[ . 1 . 2]" 1
772 1 39 LEU H 1 39 LEU HG 4.160 . 4.160 3.225 2.252 3.922 . 0 0 "[ . 1 . 2]" 1
773 1 39 LEU H 1 40 SER H 3.780 . 3.780 2.509 2.110 2.713 . 0 0 "[ . 1 . 2]" 1
774 1 39 LEU H 1 41 ALA H 5.010 . 5.010 4.073 3.865 4.453 . 0 0 "[ . 1 . 2]" 1
775 1 40 SER HA 1 43 VAL MG1 5.840 . 5.840 3.627 3.407 3.878 . 0 0 "[ . 1 . 2]" 1
776 1 40 SER HA 1 43 VAL MG2 4.380 . 4.380 2.029 1.870 2.226 . 0 0 "[ . 1 . 2]" 1
777 1 40 SER HA 1 43 VAL H 4.720 . 4.720 3.662 3.574 3.766 . 0 0 "[ . 1 . 2]" 1
778 1 40 SER HA 1 45 LEU MD1 4.460 . 4.460 2.006 1.927 2.413 . 0 0 "[ . 1 . 2]" 1
779 1 40 SER HA 1 45 LEU MD2 5.800 . 5.800 4.588 4.419 4.760 . 0 0 "[ . 1 . 2]" 1
780 1 40 SER HA 1 45 LEU HG 4.670 . 4.670 3.545 3.284 3.888 . 0 0 "[ . 1 . 2]" 1
781 1 40 SER HA 1 45 LEU H 4.680 . 4.680 4.121 3.901 4.540 . 0 0 "[ . 1 . 2]" 1
782 1 40 SER HB3 1 41 ALA H 4.390 . 4.390 3.760 2.367 4.155 . 0 0 "[ . 1 . 2]" 1
783 1 40 SER HB3 1 43 VAL MG2 6.010 . 6.010 3.984 3.648 4.512 . 0 0 "[ . 1 . 2]" 1
784 1 40 SER HB3 1 45 LEU MD1 5.320 . 5.320 2.425 1.899 3.838 . 0 0 "[ . 1 . 2]" 1
785 1 40 SER HB2 1 41 ALA H 4.390 . 4.390 3.463 3.082 4.018 . 0 0 "[ . 1 . 2]" 1
786 1 40 SER HB2 1 43 VAL MG2 6.010 . 6.010 3.868 3.646 4.157 . 0 0 "[ . 1 . 2]" 1
787 1 40 SER HB2 1 45 LEU MD1 5.320 . 5.320 2.459 1.955 2.891 . 0 0 "[ . 1 . 2]" 1
788 1 40 SER QB 1 41 ALA MB 7.200 . 7.200 4.140 3.602 4.434 . 0 0 "[ . 1 . 2]" 1
789 1 40 SER QB 1 41 ALA H 4.580 . 4.580 3.069 2.343 3.421 . 0 0 "[ . 1 . 2]" 1
790 1 40 SER QB 1 43 VAL MG2 6.270 . 6.270 3.490 3.291 3.808 . 0 0 "[ . 1 . 2]" 1
791 1 40 SER QB 1 45 LEU QB 6.130 . 6.130 2.290 1.921 3.196 . 0 0 "[ . 1 . 2]" 1
792 1 40 SER QB 1 45 LEU MD1 5.330 . 5.330 2.079 1.839 2.811 . 0 0 "[ . 1 . 2]" 1
793 1 40 SER QB 1 45 LEU MD2 6.440 . 6.440 4.188 3.908 4.814 . 0 0 "[ . 1 . 2]" 1
794 1 40 SER QB 1 45 LEU HG 6.180 . 6.180 4.053 3.709 5.097 . 0 0 "[ . 1 . 2]" 1
795 1 40 SER QB 1 45 LEU H 5.600 . 5.600 3.964 3.665 4.726 . 0 0 "[ . 1 . 2]" 1
796 1 40 SER H 1 40 SER HB3 3.790 . 3.790 2.787 2.241 3.057 . 0 0 "[ . 1 . 2]" 1
797 1 40 SER H 1 40 SER HB2 3.790 . 3.790 3.335 2.390 3.587 . 0 0 "[ . 1 . 2]" 1
798 1 40 SER H 1 40 SER QB 3.880 . 3.880 2.629 2.168 2.864 . 0 0 "[ . 1 . 2]" 1
799 1 40 SER H 1 41 ALA MB 6.350 . 6.350 4.417 4.300 4.516 . 0 0 "[ . 1 . 2]" 1
800 1 40 SER H 1 41 ALA H 3.470 . 3.470 2.785 2.688 2.925 . 0 0 "[ . 1 . 2]" 1
801 1 40 SER H 1 43 VAL MG2 6.370 . 6.370 4.000 3.846 4.126 . 0 0 "[ . 1 . 2]" 1
802 1 41 ALA HA 1 45 LEU MD1 6.520 . 6.520 5.272 5.112 5.337 . 0 0 "[ . 1 . 2]" 1
803 1 41 ALA HA 1 45 LEU H 3.570 . 3.570 2.958 2.642 3.286 . 0 0 "[ . 1 . 2]" 1
804 1 41 ALA MB 1 42 GLU HA 5.090 . 5.090 3.767 3.703 3.842 . 0 0 "[ . 1 . 2]" 1
805 1 41 ALA MB 1 42 GLU HB3 6.520 . 6.520 5.338 5.281 5.401 . 0 0 "[ . 1 . 2]" 1
806 1 41 ALA MB 1 42 GLU HB2 5.610 . 5.610 4.370 4.269 4.591 . 0 0 "[ . 1 . 2]" 1
807 1 41 ALA MB 1 42 GLU QG 6.150 . 6.150 3.711 3.502 3.931 . 0 0 "[ . 1 . 2]" 1
808 1 41 ALA MB 1 42 GLU H 4.170 . 4.170 2.643 2.546 2.722 . 0 0 "[ . 1 . 2]" 1
809 1 41 ALA H 1 42 GLU QG 6.050 . 6.050 4.847 4.444 5.025 . 0 0 "[ . 1 . 2]" 1
810 1 41 ALA H 1 42 GLU H 3.250 . 3.250 2.547 2.405 2.636 . 0 0 "[ . 1 . 2]" 1
811 1 41 ALA H 1 43 VAL MG2 5.950 . 5.950 4.002 3.899 4.227 . 0 0 "[ . 1 . 2]" 1
812 1 42 GLU HA 1 42 GLU HG3 3.790 . 3.790 3.519 2.521 3.638 . 0 0 "[ . 1 . 2]" 1
813 1 42 GLU HA 1 42 GLU HG2 3.790 . 3.790 2.553 2.157 2.894 . 0 0 "[ . 1 . 2]" 1
814 1 42 GLU HA 1 43 VAL MG1 6.150 . 6.150 4.905 4.826 4.976 . 0 0 "[ . 1 . 2]" 1
815 1 42 GLU HA 1 43 VAL MG2 6.340 . 6.340 4.985 4.946 5.021 . 0 0 "[ . 1 . 2]" 1
816 1 42 GLU HB3 1 43 VAL HA 4.680 . 4.680 4.093 3.998 4.246 . 0 0 "[ . 1 . 2]" 1
817 1 42 GLU HB3 1 43 VAL MG1 5.270 . 5.270 3.501 3.380 3.638 . 0 0 "[ . 1 . 2]" 1
818 1 42 GLU HB3 1 43 VAL MG2 5.930 . 5.930 4.741 4.488 4.826 . 0 0 "[ . 1 . 2]" 1
819 1 42 GLU HB3 1 43 VAL H 3.540 . 3.540 3.313 3.133 3.515 . 0 0 "[ . 1 . 2]" 1
820 1 42 GLU HB2 1 43 VAL HA 4.990 . 4.990 4.794 4.444 4.960 . 0 0 "[ . 1 . 2]" 1
821 1 42 GLU HB2 1 43 VAL MG2 5.440 . 5.440 4.176 3.833 4.278 . 0 0 "[ . 1 . 2]" 1
822 1 42 GLU QG 1 43 VAL MG1 7.240 . 7.240 4.877 4.787 4.939 . 0 0 "[ . 1 . 2]" 1
823 1 42 GLU H 1 42 GLU HB2 3.040 . 3.040 2.180 2.109 2.359 . 0 0 "[ . 1 . 2]" 1
824 1 42 GLU H 1 42 GLU QG 4.790 . 4.790 2.845 2.499 3.073 . 0 0 "[ . 1 . 2]" 1
825 1 42 GLU H 1 43 VAL MG2 5.100 . 5.100 3.776 3.706 3.833 . 0 0 "[ . 1 . 2]" 1
826 1 42 GLU H 1 43 VAL H 3.250 . 3.250 2.676 2.602 2.805 . 0 0 "[ . 1 . 2]" 1
827 1 43 VAL HB 1 44 GLY H 5.350 . 5.350 3.886 3.740 4.050 . 0 0 "[ . 1 . 2]" 1
828 1 43 VAL HB 1 45 LEU MD1 6.190 . 6.190 4.439 4.079 4.620 . 0 0 "[ . 1 . 2]" 1
829 1 43 VAL MG1 1 45 LEU MD1 6.970 . 6.970 3.908 3.562 4.109 . 0 0 "[ . 1 . 2]" 1
830 1 43 VAL MG1 1 79 ILE MD 6.730 . 6.730 4.271 3.720 4.455 . 0 0 "[ . 1 . 2]" 1
831 1 43 VAL MG2 1 44 GLY QA 6.990 . 6.990 3.482 3.384 3.616 . 0 0 "[ . 1 . 2]" 1
832 1 43 VAL MG2 1 44 GLY H 5.850 . 5.850 2.266 1.969 2.550 . 0 0 "[ . 1 . 2]" 1
833 1 43 VAL MG2 1 45 LEU HA 5.850 . 5.850 3.810 3.603 4.048 . 0 0 "[ . 1 . 2]" 1
834 1 43 VAL MG2 1 45 LEU QB 6.150 . 6.150 2.951 2.635 3.155 . 0 0 "[ . 1 . 2]" 1
835 1 43 VAL MG2 1 45 LEU MD1 5.040 . 5.040 2.247 1.870 2.470 . 0 0 "[ . 1 . 2]" 1
836 1 43 VAL MG2 1 45 LEU MD2 5.820 . 5.820 3.411 3.188 3.526 . 0 0 "[ . 1 . 2]" 1
837 1 43 VAL MG2 1 45 LEU HG 4.470 . 4.470 2.087 1.941 2.224 . 0 0 "[ . 1 . 2]" 1
838 1 43 VAL MG2 1 45 LEU H 4.720 . 4.720 2.750 2.118 3.099 . 0 0 "[ . 1 . 2]" 1
839 1 43 VAL MG2 1 79 ILE MD 6.200 . 6.200 3.815 3.693 3.938 . 0 0 "[ . 1 . 2]" 1
840 1 43 VAL H 1 43 VAL HB 4.210 . 4.210 3.631 3.609 3.651 . 0 0 "[ . 1 . 2]" 1
841 1 43 VAL H 1 43 VAL MG1 4.330 . 4.330 2.448 2.211 2.642 . 0 0 "[ . 1 . 2]" 1
842 1 43 VAL H 1 43 VAL MG2 4.220 . 4.220 1.945 1.912 1.979 . 0 0 "[ . 1 . 2]" 1
843 1 43 VAL H 1 45 LEU MD1 6.080 . 6.080 4.755 4.376 4.941 . 0 0 "[ . 1 . 2]" 1
844 1 43 VAL H 1 45 LEU HG 5.190 . 5.190 5.123 4.744 5.199 0.009 5 0 "[ . 1 . 2]" 1
845 1 44 GLY QA 1 45 LEU MD2 7.240 . 7.240 5.000 4.588 5.255 . 0 0 "[ . 1 . 2]" 1
846 1 44 GLY H 1 45 LEU MD1 6.140 . 6.140 4.698 4.357 4.951 . 0 0 "[ . 1 . 2]" 1
847 1 44 GLY H 1 45 LEU H 3.420 . 3.420 2.367 2.074 2.628 . 0 0 "[ . 1 . 2]" 1
848 1 45 LEU HA 1 45 LEU MD2 4.090 . 4.090 2.090 1.957 2.251 . 0 0 "[ . 1 . 2]" 1
849 1 45 LEU HA 1 46 GLU H 2.900 . 2.900 2.357 2.166 2.440 . 0 0 "[ . 1 . 2]" 1
850 1 45 LEU QB 1 46 GLU H 5.080 . 5.080 2.558 2.296 3.126 . 0 0 "[ . 1 . 2]" 1
851 1 45 LEU MD2 1 46 GLU H 4.570 . 4.570 2.634 2.287 2.898 . 0 0 "[ . 1 . 2]" 1
852 1 45 LEU MD2 1 49 ASP HA 6.520 . 6.520 5.217 4.973 5.408 . 0 0 "[ . 1 . 2]" 1
853 1 45 LEU MD2 1 49 ASP HB3 5.610 . 5.610 3.271 3.049 3.415 . 0 0 "[ . 1 . 2]" 1
854 1 45 LEU MD2 1 49 ASP HB2 5.570 . 5.570 3.123 2.851 3.333 . 0 0 "[ . 1 . 2]" 1
855 1 45 LEU MD2 1 79 ILE MD 6.770 . 6.770 3.674 3.058 4.205 . 0 0 "[ . 1 . 2]" 1
856 1 45 LEU H 1 45 LEU HB3 3.770 . 3.770 3.534 3.449 3.642 . 0 0 "[ . 1 . 2]" 1
857 1 45 LEU H 1 45 LEU HB2 3.770 . 3.770 2.282 2.157 2.445 . 0 0 "[ . 1 . 2]" 1
858 1 45 LEU H 1 45 LEU MD1 5.200 . 5.200 3.894 3.738 4.045 . 0 0 "[ . 1 . 2]" 1
859 1 45 LEU H 1 45 LEU MD2 5.230 . 5.230 4.115 3.963 4.206 . 0 0 "[ . 1 . 2]" 1
860 1 45 LEU H 1 45 LEU HG 3.350 . 3.350 3.258 3.091 3.352 0.002 12 0 "[ . 1 . 2]" 1
861 1 45 LEU H 1 46 GLU H 4.670 . 4.670 4.549 4.496 4.601 . 0 0 "[ . 1 . 2]" 1
862 1 46 GLU HA 1 46 GLU HG3 3.810 . 3.810 2.855 2.098 3.813 0.003 16 0 "[ . 1 . 2]" 1
863 1 46 GLU HA 1 46 GLU HG2 3.810 . 3.810 2.763 2.049 3.725 . 0 0 "[ . 1 . 2]" 1
864 1 46 GLU HA 1 47 ILE HA 5.390 . 5.390 4.299 4.296 4.303 . 0 0 "[ . 1 . 2]" 1
865 1 46 GLU HA 1 47 ILE H 2.940 . 2.940 2.406 2.333 2.496 . 0 0 "[ . 1 . 2]" 1
866 1 46 GLU HB3 1 47 ILE H 4.170 . 4.170 2.951 2.454 3.782 . 0 0 "[ . 1 . 2]" 1
867 1 46 GLU HB2 1 47 ILE H 4.170 . 4.170 3.818 2.249 4.129 . 0 0 "[ . 1 . 2]" 1
868 1 46 GLU QB 1 47 ILE H 4.220 . 4.220 2.748 2.228 3.309 . 0 0 "[ . 1 . 2]" 1
869 1 46 GLU HG3 1 47 ILE H 4.750 . 4.750 3.737 2.038 4.754 0.004 20 0 "[ . 1 . 2]" 1
870 1 46 GLU HG2 1 47 ILE H 4.750 . 4.750 3.221 2.000 4.750 . 0 0 "[ . 1 . 2]" 1
871 1 46 GLU QG 1 47 ILE H 4.940 . 4.940 2.938 1.911 3.808 . 0 0 "[ . 1 . 2]" 1
872 1 46 GLU H 1 49 ASP HB2 5.180 . 5.180 3.385 3.228 3.608 . 0 0 "[ . 1 . 2]" 1
873 1 47 ILE HA 1 47 ILE HG13 4.070 . 4.070 2.720 2.492 3.216 . 0 0 "[ . 1 . 2]" 1
874 1 47 ILE HA 1 47 ILE HG12 4.070 . 4.070 2.996 2.562 3.309 . 0 0 "[ . 1 . 2]" 1
875 1 47 ILE HA 1 48 GLY H 3.340 . 3.340 2.225 2.168 2.310 . 0 0 "[ . 1 . 2]" 1
876 1 47 ILE HA 1 49 ASP H 3.950 . 3.950 3.481 3.266 3.714 . 0 0 "[ . 1 . 2]" 1
877 1 47 ILE HB 1 48 GLY H 4.870 . 4.870 3.896 3.688 4.078 . 0 0 "[ . 1 . 2]" 1
878 1 47 ILE HG13 1 48 GLY H 5.500 . 5.500 4.743 4.520 5.156 . 0 0 "[ . 1 . 2]" 1
879 1 47 ILE HG12 1 48 GLY H 5.500 . 5.500 4.573 4.327 4.780 . 0 0 "[ . 1 . 2]" 1
880 1 47 ILE QG 1 48 GLY H 5.630 . 5.630 4.134 4.051 4.234 . 0 0 "[ . 1 . 2]" 1
881 1 47 ILE MG 1 48 GLY HA3 6.170 . 6.170 3.598 3.446 3.753 . 0 0 "[ . 1 . 2]" 1
882 1 47 ILE MG 1 48 GLY HA2 6.170 . 6.170 3.242 3.114 3.382 . 0 0 "[ . 1 . 2]" 1
883 1 47 ILE MG 1 48 GLY QA 6.350 . 6.350 3.018 2.905 3.141 . 0 0 "[ . 1 . 2]" 1
884 1 47 ILE MG 1 48 GLY H 4.900 . 4.900 2.194 1.962 2.508 . 0 0 "[ . 1 . 2]" 1
885 1 47 ILE MG 1 49 ASP H 5.610 . 5.610 4.340 4.065 4.558 . 0 0 "[ . 1 . 2]" 1
886 1 47 ILE MG 1 87 ARG HA 6.310 . 6.310 4.803 4.283 5.003 . 0 0 "[ . 1 . 2]" 1
887 1 47 ILE MG 1 90 PHE HA 6.310 . 6.310 5.277 5.211 5.311 . 0 0 "[ . 1 . 2]" 1
888 1 47 ILE MG 1 90 PHE HB3 5.510 . 5.510 4.032 3.741 4.218 . 0 0 "[ . 1 . 2]" 1
889 1 47 ILE MG 1 90 PHE HB2 5.510 . 5.510 4.282 4.073 4.455 . 0 0 "[ . 1 . 2]" 1
890 1 47 ILE MG 1 90 PHE QB 5.620 . 5.620 3.690 3.462 3.814 . 0 0 "[ . 1 . 2]" 1
891 1 47 ILE H 1 47 ILE HB 3.120 . 3.120 2.668 2.612 2.754 . 0 0 "[ . 1 . 2]" 1
892 1 47 ILE H 1 47 ILE MD 4.930 . 4.930 2.852 2.310 3.592 . 0 0 "[ . 1 . 2]" 1
893 1 47 ILE H 1 47 ILE QG 3.880 . 3.880 1.995 1.922 2.209 . 0 0 "[ . 1 . 2]" 1
894 1 47 ILE H 1 48 GLY H 4.860 . 4.860 4.619 4.577 4.648 . 0 0 "[ . 1 . 2]" 1
895 1 48 GLY HA3 1 87 ARG HA 4.090 . 4.090 3.163 2.670 3.514 . 0 0 "[ . 1 . 2]" 1
896 1 48 GLY HA3 1 87 ARG H 4.110 . 4.110 3.755 3.524 4.081 . 0 0 "[ . 1 . 2]" 1
897 1 48 GLY HA2 1 87 ARG HA 4.090 . 4.090 2.528 2.119 2.676 . 0 0 "[ . 1 . 2]" 1
898 1 48 GLY HA2 1 87 ARG H 4.110 . 4.110 3.456 3.063 3.934 . 0 0 "[ . 1 . 2]" 1
899 1 48 GLY QA 1 86 GLY H 6.070 . 6.070 4.327 4.080 4.651 . 0 0 "[ . 1 . 2]" 1
900 1 48 GLY QA 1 87 ARG HA 4.420 . 4.420 2.421 2.080 2.551 . 0 0 "[ . 1 . 2]" 1
901 1 48 GLY QA 1 87 ARG QG 6.520 . 6.520 2.837 1.783 4.527 0.017 14 0 "[ . 1 . 2]" 1
902 1 48 GLY H 1 49 ASP H 3.860 . 3.860 2.706 2.141 3.043 . 0 0 "[ . 1 . 2]" 1
903 1 48 GLY H 1 87 ARG HA 5.360 . 5.360 4.894 4.390 5.118 . 0 0 "[ . 1 . 2]" 1
904 1 48 GLY H 1 90 PHE QD 6.860 . 6.860 3.656 2.833 4.115 . 0 0 "[ . 1 . 2]" 1
905 1 48 GLY H 1 90 PHE QE 7.250 . 7.250 3.123 2.288 3.851 . 0 0 "[ . 1 . 2]" 1
906 1 49 ASP HA 1 50 GLN H 3.170 . 3.170 2.409 2.259 2.498 . 0 0 "[ . 1 . 2]" 1
907 1 49 ASP HA 1 81 ILE MD 5.870 . 5.870 2.669 2.318 2.889 . 0 0 "[ . 1 . 2]" 1
908 1 49 ASP HA 1 81 ILE MG 6.520 . 6.520 5.305 5.133 5.349 . 0 0 "[ . 1 . 2]" 1
909 1 49 ASP HA 1 82 VAL H 5.500 . 5.500 5.144 4.863 5.323 . 0 0 "[ . 1 . 2]" 1
910 1 49 ASP HA 1 83 ALA HA 3.910 . 3.910 3.038 2.616 3.374 . 0 0 "[ . 1 . 2]" 1
911 1 49 ASP HA 1 83 ALA MB 6.130 . 6.130 4.457 4.103 4.777 . 0 0 "[ . 1 . 2]" 1
912 1 49 ASP HA 1 84 ALA MB 6.520 . 6.520 5.476 5.445 5.486 . 0 0 "[ . 1 . 2]" 1
913 1 49 ASP HA 1 84 ALA H 3.600 . 3.600 3.095 3.006 3.148 . 0 0 "[ . 1 . 2]" 1
914 1 49 ASP HA 1 85 ALA MB 5.520 . 5.520 4.203 3.929 4.402 . 0 0 "[ . 1 . 2]" 1
915 1 49 ASP HA 1 85 ALA H 4.200 . 4.200 4.118 3.958 4.223 0.023 18 0 "[ . 1 . 2]" 1
916 1 49 ASP HB3 1 50 GLN H 4.330 . 4.330 2.473 2.266 2.898 . 0 0 "[ . 1 . 2]" 1
917 1 49 ASP HB3 1 81 ILE MD 5.280 . 5.280 1.961 1.922 2.037 . 0 0 "[ . 1 . 2]" 1
918 1 49 ASP HB3 1 81 ILE MG 5.020 . 5.020 3.587 3.458 3.670 . 0 0 "[ . 1 . 2]" 1
919 1 49 ASP HB3 1 83 ALA HA 4.830 . 4.830 4.363 4.056 4.704 . 0 0 "[ . 1 . 2]" 1
920 1 49 ASP HB2 1 50 GLN H 4.600 . 4.600 3.786 3.505 4.115 . 0 0 "[ . 1 . 2]" 1
921 1 49 ASP HB2 1 81 ILE MD 5.530 . 5.530 3.263 3.220 3.355 . 0 0 "[ . 1 . 2]" 1
922 1 49 ASP HB2 1 81 ILE MG 5.940 . 5.940 4.717 4.574 4.794 . 0 0 "[ . 1 . 2]" 1
923 1 49 ASP HB2 1 83 ALA HA 5.500 . 5.500 5.282 5.085 5.513 0.013 6 0 "[ . 1 . 2]" 1
924 1 49 ASP H 1 49 ASP HB3 3.770 . 3.770 3.559 3.520 3.582 . 0 0 "[ . 1 . 2]" 1
925 1 49 ASP H 1 49 ASP HB2 3.250 . 3.250 2.330 2.227 2.468 . 0 0 "[ . 1 . 2]" 1
926 1 49 ASP H 1 90 PHE QD 7.630 . 7.630 5.448 4.620 6.083 . 0 0 "[ . 1 . 2]" 1
927 1 49 ASP H 1 90 PHE QE 7.630 . 7.630 5.298 4.437 6.181 . 0 0 "[ . 1 . 2]" 1
928 1 50 GLN HA 1 51 ILE H 3.370 . 3.370 2.143 2.133 2.150 . 0 0 "[ . 1 . 2]" 1
929 1 50 GLN HA 1 52 VAL MG1 6.520 . 6.520 4.990 4.815 5.202 . 0 0 "[ . 1 . 2]" 1
930 1 50 GLN HA 1 85 ALA MB 6.030 . 6.030 4.281 4.004 4.618 . 0 0 "[ . 1 . 2]" 1
931 1 50 GLN QB 1 52 VAL MG1 6.380 . 6.380 3.325 3.022 3.644 . 0 0 "[ . 1 . 2]" 1
932 1 50 GLN QB 1 85 ALA MB 5.250 . 5.250 1.838 1.707 2.155 0.093 8 0 "[ . 1 . 2]" 1
933 1 50 GLN QB 1 85 ALA H 5.690 . 5.690 3.814 3.396 4.265 . 0 0 "[ . 1 . 2]" 1
934 1 50 GLN QB 1 86 GLY H 5.610 . 5.610 2.833 2.457 3.287 . 0 0 "[ . 1 . 2]" 1
935 1 50 GLN H 1 51 ILE HA 4.730 . 4.730 4.573 4.477 4.732 0.002 7 0 "[ . 1 . 2]" 1
936 1 50 GLN H 1 52 VAL MG1 6.360 . 6.360 4.716 4.579 4.834 . 0 0 "[ . 1 . 2]" 1
937 1 50 GLN H 1 81 ILE HA 5.500 . 5.500 4.433 4.231 4.606 . 0 0 "[ . 1 . 2]" 1
938 1 50 GLN H 1 81 ILE MG 6.520 . 6.520 4.529 4.410 4.677 . 0 0 "[ . 1 . 2]" 1
939 1 50 GLN H 1 82 VAL H 4.130 . 4.130 3.231 2.856 3.481 . 0 0 "[ . 1 . 2]" 1
940 1 50 GLN H 1 83 ALA HA 4.820 . 4.820 4.087 3.813 4.396 . 0 0 "[ . 1 . 2]" 1
941 1 50 GLN H 1 84 ALA H 5.180 . 5.180 4.748 4.400 4.926 . 0 0 "[ . 1 . 2]" 1
942 1 50 GLN H 1 85 ALA MB 4.890 . 4.890 3.205 3.046 3.443 . 0 0 "[ . 1 . 2]" 1
943 1 50 GLN H 1 85 ALA H 4.380 . 4.380 4.305 4.045 4.384 0.004 5 0 "[ . 1 . 2]" 1
944 1 50 GLN H 1 86 GLY H 4.410 . 4.410 4.056 3.722 4.310 . 0 0 "[ . 1 . 2]" 1
945 1 51 ILE HA 1 51 ILE HG12 3.710 . 3.710 2.907 2.589 3.383 . 0 0 "[ . 1 . 2]" 1
946 1 51 ILE HA 1 52 VAL MG1 5.100 . 5.100 3.776 3.638 3.903 . 0 0 "[ . 1 . 2]" 1
947 1 51 ILE HA 1 52 VAL MG2 5.110 . 5.110 3.816 3.674 3.930 . 0 0 "[ . 1 . 2]" 1
948 1 51 ILE HA 1 52 VAL H 3.250 . 3.250 2.145 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
949 1 51 ILE HA 1 53 GLU H 3.840 . 3.840 3.506 3.451 3.620 . 0 0 "[ . 1 . 2]" 1
950 1 51 ILE HA 1 81 ILE HA 4.190 . 4.190 2.273 2.058 2.672 . 0 0 "[ . 1 . 2]" 1
951 1 51 ILE HA 1 81 ILE MD 5.560 . 5.560 4.475 4.346 4.620 . 0 0 "[ . 1 . 2]" 1
952 1 51 ILE HA 1 81 ILE MG 6.000 . 6.000 4.174 3.970 4.274 . 0 0 "[ . 1 . 2]" 1
953 1 51 ILE HA 1 82 VAL H 4.500 . 4.500 3.810 3.624 4.131 . 0 0 "[ . 1 . 2]" 1
954 1 51 ILE MD 1 54 VAL MG2 5.900 . 5.900 3.320 2.880 4.067 . 0 0 "[ . 1 . 2]" 1
955 1 51 ILE MD 1 71 LEU QD 6.870 . 6.870 3.325 2.928 3.922 . 0 0 "[ . 1 . 2]" 1
956 1 51 ILE MD 1 71 LEU HG 5.990 . 5.990 3.885 3.459 4.771 . 0 0 "[ . 1 . 2]" 1
957 1 51 ILE MG 1 52 VAL HA 5.730 . 5.730 4.015 3.848 4.174 . 0 0 "[ . 1 . 2]" 1
958 1 51 ILE MG 1 52 VAL H 5.010 . 5.010 2.817 2.606 2.919 . 0 0 "[ . 1 . 2]" 1
959 1 51 ILE MG 1 53 GLU H 4.550 . 4.550 2.131 1.944 2.494 . 0 0 "[ . 1 . 2]" 1
960 1 51 ILE MG 1 54 VAL HA 6.190 . 6.190 3.876 3.737 3.986 . 0 0 "[ . 1 . 2]" 1
961 1 51 ILE MG 1 54 VAL MG1 6.280 . 6.280 3.703 3.546 3.831 . 0 0 "[ . 1 . 2]" 1
962 1 51 ILE MG 1 54 VAL MG2 5.140 . 5.140 1.855 1.788 1.943 0.012 16 0 "[ . 1 . 2]" 1
963 1 51 ILE MG 1 54 VAL H 6.150 . 6.150 4.344 4.209 4.418 . 0 0 "[ . 1 . 2]" 1
964 1 51 ILE MG 1 59 PHE HB3 6.050 . 6.050 3.427 2.889 3.789 . 0 0 "[ . 1 . 2]" 1
965 1 51 ILE MG 1 59 PHE HB2 6.050 . 6.050 3.013 2.592 3.379 . 0 0 "[ . 1 . 2]" 1
966 1 51 ILE MG 1 59 PHE QB 6.150 . 6.150 2.823 2.477 3.124 . 0 0 "[ . 1 . 2]" 1
967 1 51 ILE MG 1 59 PHE H 6.240 . 6.240 4.804 4.370 5.066 . 0 0 "[ . 1 . 2]" 1
968 1 51 ILE MG 1 71 LEU MD1 6.890 . 6.890 4.496 4.429 4.576 . 0 0 "[ . 1 . 2]" 1
969 1 51 ILE MG 1 71 LEU MD2 6.890 . 6.890 3.600 3.479 3.806 . 0 0 "[ . 1 . 2]" 1
970 1 51 ILE MG 1 71 LEU QD 7.340 . 7.340 3.461 3.368 3.606 . 0 0 "[ . 1 . 2]" 1
971 1 51 ILE MG 1 79 ILE HA 5.960 . 5.960 3.643 3.182 3.899 . 0 0 "[ . 1 . 2]" 1
972 1 51 ILE MG 1 79 ILE HB 5.680 . 5.680 2.294 1.936 2.630 . 0 0 "[ . 1 . 2]" 1
973 1 51 ILE MG 1 79 ILE MG 5.110 . 5.110 2.685 2.450 2.892 . 0 0 "[ . 1 . 2]" 1
974 1 51 ILE MG 1 80 SER H 5.610 . 5.610 3.313 2.885 3.738 . 0 0 "[ . 1 . 2]" 1
975 1 51 ILE MG 1 81 ILE HA 5.720 . 5.720 3.639 3.400 4.012 . 0 0 "[ . 1 . 2]" 1
976 1 51 ILE H 1 51 ILE HB 3.290 . 3.290 2.633 2.616 2.669 . 0 0 "[ . 1 . 2]" 1
977 1 51 ILE H 1 51 ILE MD 5.420 . 5.420 3.041 2.247 3.583 . 0 0 "[ . 1 . 2]" 1
978 1 51 ILE H 1 51 ILE HG12 4.040 . 4.040 3.465 3.156 3.700 . 0 0 "[ . 1 . 2]" 1
979 1 51 ILE H 1 81 ILE HB 4.570 . 4.570 4.500 4.268 4.578 0.008 12 0 "[ . 1 . 2]" 1
980 1 52 VAL HA 1 59 PHE HB3 4.480 . 4.480 3.121 2.610 3.522 . 0 0 "[ . 1 . 2]" 1
981 1 52 VAL HA 1 59 PHE HB2 4.480 . 4.480 3.026 2.445 3.640 . 0 0 "[ . 1 . 2]" 1
982 1 52 VAL HA 1 59 PHE QB 4.740 . 4.740 2.720 2.339 3.187 . 0 0 "[ . 1 . 2]" 1
983 1 52 VAL HA 1 59 PHE H 4.760 . 4.760 3.946 3.211 4.426 . 0 0 "[ . 1 . 2]" 1
984 1 52 VAL HB 1 53 GLU H 4.440 . 4.440 4.252 3.969 4.423 . 0 0 "[ . 1 . 2]" 1
985 1 52 VAL HB 1 59 PHE QB 5.700 . 5.700 4.500 4.212 4.847 . 0 0 "[ . 1 . 2]" 1
986 1 52 VAL MG1 1 53 GLU H 5.270 . 5.270 4.184 4.026 4.303 . 0 0 "[ . 1 . 2]" 1
987 1 52 VAL MG1 1 59 PHE QB 6.830 . 6.830 4.285 3.901 4.669 . 0 0 "[ . 1 . 2]" 1
988 1 52 VAL MG1 1 80 SER QB 7.000 . 7.000 4.732 4.522 4.990 . 0 0 "[ . 1 . 2]" 1
989 1 52 VAL MG1 1 81 ILE HA 4.890 . 4.890 3.306 3.021 3.599 . 0 0 "[ . 1 . 2]" 1
990 1 52 VAL MG1 1 82 VAL HA 6.080 . 6.080 4.599 4.265 4.907 . 0 0 "[ . 1 . 2]" 1
991 1 52 VAL MG1 1 82 VAL HB 5.650 . 5.650 2.965 2.611 3.630 . 0 0 "[ . 1 . 2]" 1
992 1 52 VAL MG1 1 82 VAL MG1 6.250 . 6.250 3.358 1.711 4.001 0.089 14 0 "[ . 1 . 2]" 1
993 1 52 VAL MG1 1 82 VAL MG2 6.250 . 6.250 2.312 1.718 3.942 0.082 7 0 "[ . 1 . 2]" 1
994 1 52 VAL MG1 1 82 VAL QG 6.030 . 6.030 1.878 1.709 2.212 0.091 14 0 "[ . 1 . 2]" 1
995 1 52 VAL MG1 1 82 VAL H 4.700 . 4.700 2.863 2.506 3.238 . 0 0 "[ . 1 . 2]" 1
996 1 52 VAL MG1 1 85 ALA MB 6.000 . 6.000 3.002 2.893 3.099 . 0 0 "[ . 1 . 2]" 1
997 1 52 VAL MG1 1 85 ALA H 6.520 . 6.520 5.457 5.407 5.480 . 0 0 "[ . 1 . 2]" 1
998 1 52 VAL MG2 1 53 GLU HB3 5.560 . 5.560 3.421 3.095 3.750 . 0 0 "[ . 1 . 2]" 1
999 1 52 VAL MG2 1 53 GLU HB2 5.560 . 5.560 2.666 2.460 2.915 . 0 0 "[ . 1 . 2]" 1
1000 1 52 VAL MG2 1 53 GLU H 4.330 . 4.330 2.776 2.180 3.250 . 0 0 "[ . 1 . 2]" 1
1001 1 52 VAL MG2 1 80 SER HA 5.800 . 5.800 4.224 3.916 4.499 . 0 0 "[ . 1 . 2]" 1
1002 1 52 VAL MG2 1 80 SER HB3 5.010 . 5.010 2.654 2.013 3.628 . 0 0 "[ . 1 . 2]" 1
1003 1 52 VAL MG2 1 80 SER HB2 5.010 . 5.010 3.303 2.192 4.073 . 0 0 "[ . 1 . 2]" 1
1004 1 52 VAL MG2 1 80 SER QB 5.230 . 5.230 2.317 2.002 2.664 . 0 0 "[ . 1 . 2]" 1
1005 1 52 VAL MG2 1 81 ILE HA 4.770 . 4.770 2.785 2.411 3.069 . 0 0 "[ . 1 . 2]" 1
1006 1 52 VAL MG2 1 82 VAL HA 6.280 . 6.280 4.488 4.281 4.719 . 0 0 "[ . 1 . 2]" 1
1007 1 52 VAL MG2 1 82 VAL HB 5.970 . 5.970 3.835 3.068 4.300 . 0 0 "[ . 1 . 2]" 1
1008 1 52 VAL MG2 1 82 VAL QG 6.170 . 6.170 2.048 1.800 2.694 . 0 0 "[ . 1 . 2]" 1
1009 1 52 VAL MG2 1 82 VAL H 5.150 . 5.150 3.350 3.071 3.749 . 0 0 "[ . 1 . 2]" 1
1010 1 52 VAL H 1 52 VAL MG2 4.390 . 4.390 2.117 1.961 2.245 . 0 0 "[ . 1 . 2]" 1
1011 1 52 VAL H 1 53 GLU H 3.060 . 3.060 2.299 2.169 2.466 . 0 0 "[ . 1 . 2]" 1
1012 1 52 VAL H 1 80 SER QB 5.610 . 5.610 3.911 3.681 4.431 . 0 0 "[ . 1 . 2]" 1
1013 1 52 VAL H 1 80 SER H 4.760 . 4.760 4.560 4.296 4.766 0.006 12 0 "[ . 1 . 2]" 1
1014 1 52 VAL H 1 81 ILE HA 4.040 . 4.040 2.310 2.181 2.479 . 0 0 "[ . 1 . 2]" 1
1015 1 52 VAL H 1 81 ILE HB 5.080 . 5.080 4.049 3.758 4.274 . 0 0 "[ . 1 . 2]" 1
1016 1 52 VAL H 1 81 ILE H 4.980 . 4.980 4.555 4.349 4.855 . 0 0 "[ . 1 . 2]" 1
1017 1 53 GLU HA 1 53 GLU HG3 4.120 . 4.120 2.544 2.049 3.164 . 0 0 "[ . 1 . 2]" 1
1018 1 53 GLU HA 1 53 GLU HG2 4.120 . 4.120 2.815 2.168 3.582 . 0 0 "[ . 1 . 2]" 1
1019 1 53 GLU HA 1 54 VAL MG2 6.080 . 6.080 3.440 3.379 3.550 . 0 0 "[ . 1 . 2]" 1
1020 1 53 GLU HA 1 54 VAL H 3.080 . 3.080 2.284 2.234 2.358 . 0 0 "[ . 1 . 2]" 1
1021 1 53 GLU HA 1 57 VAL H 5.280 . 5.280 5.087 3.942 5.283 0.003 4 0 "[ . 1 . 2]" 1
1022 1 53 GLU HA 1 58 ASP HA 3.970 . 3.970 3.196 2.459 3.514 . 0 0 "[ . 1 . 2]" 1
1023 1 53 GLU HA 1 58 ASP H 5.340 . 5.340 5.170 4.638 5.348 0.008 5 0 "[ . 1 . 2]" 1
1024 1 53 GLU HA 1 59 PHE H 3.940 . 3.940 2.467 2.099 2.766 . 0 0 "[ . 1 . 2]" 1
1025 1 53 GLU HB3 1 80 SER HB3 4.950 . 4.950 2.936 1.990 4.175 . 0 0 "[ . 1 . 2]" 1
1026 1 53 GLU HB3 1 80 SER HB2 4.950 . 4.950 2.320 1.966 3.049 . 0 0 "[ . 1 . 2]" 1
1027 1 53 GLU HB2 1 80 SER HB3 4.950 . 4.950 3.401 2.373 4.638 . 0 0 "[ . 1 . 2]" 1
1028 1 53 GLU HB2 1 80 SER HB2 4.950 . 4.950 3.292 2.266 4.008 . 0 0 "[ . 1 . 2]" 1
1029 1 53 GLU QB 1 58 ASP HA 5.420 . 5.420 4.202 3.264 4.606 . 0 0 "[ . 1 . 2]" 1
1030 1 53 GLU QB 1 80 SER QB 5.330 . 5.330 2.074 1.813 2.700 . 0 0 "[ . 1 . 2]" 1
1031 1 53 GLU HG3 1 56 GLY H 4.450 . 4.450 4.070 3.123 4.453 0.003 1 0 "[ . 1 . 2]" 1
1032 1 53 GLU HG3 1 58 ASP HA 4.720 . 4.720 3.052 2.225 3.751 . 0 0 "[ . 1 . 2]" 1
1033 1 53 GLU HG2 1 56 GLY H 4.450 . 4.450 2.866 2.470 3.355 . 0 0 "[ . 1 . 2]" 1
1034 1 53 GLU HG2 1 58 ASP HA 4.720 . 4.720 4.131 2.956 4.721 0.001 17 0 "[ . 1 . 2]" 1
1035 1 53 GLU QG 1 54 VAL MG2 6.850 . 6.850 4.407 4.248 4.597 . 0 0 "[ . 1 . 2]" 1
1036 1 53 GLU QG 1 54 VAL H 4.810 . 4.810 2.196 1.971 2.621 . 0 0 "[ . 1 . 2]" 1
1037 1 53 GLU QG 1 56 GLY QA 6.050 . 6.050 3.061 2.869 3.348 . 0 0 "[ . 1 . 2]" 1
1038 1 53 GLU QG 1 56 GLY H 4.480 . 4.480 2.786 2.451 3.221 . 0 0 "[ . 1 . 2]" 1
1039 1 53 GLU QG 1 57 VAL H 5.360 . 5.360 3.638 2.632 4.062 . 0 0 "[ . 1 . 2]" 1
1040 1 53 GLU QG 1 58 ASP HA 4.810 . 4.810 2.919 2.213 3.482 . 0 0 "[ . 1 . 2]" 1
1041 1 53 GLU H 1 53 GLU HB3 4.110 . 4.110 3.291 3.081 3.483 . 0 0 "[ . 1 . 2]" 1
1042 1 53 GLU H 1 53 GLU HB2 4.110 . 4.110 3.229 3.071 3.390 . 0 0 "[ . 1 . 2]" 1
1043 1 53 GLU H 1 54 VAL MG2 5.620 . 5.620 3.352 3.177 3.619 . 0 0 "[ . 1 . 2]" 1
1044 1 53 GLU H 1 54 VAL H 4.560 . 4.560 4.286 4.202 4.380 . 0 0 "[ . 1 . 2]" 1
1045 1 53 GLU H 1 80 SER HA 5.500 . 5.500 5.148 4.700 5.418 . 0 0 "[ . 1 . 2]" 1
1046 1 53 GLU H 1 80 SER H 3.660 . 3.660 3.318 3.064 3.549 . 0 0 "[ . 1 . 2]" 1
1047 1 53 GLU H 1 81 ILE HA 4.590 . 4.590 4.184 3.968 4.351 . 0 0 "[ . 1 . 2]" 1
1048 1 53 GLU H 1 81 ILE H 5.500 . 5.500 5.436 5.106 5.516 0.016 18 0 "[ . 1 . 2]" 1
1049 1 54 VAL HA 1 55 ASN H 3.160 . 3.160 2.178 2.146 2.220 . 0 0 "[ . 1 . 2]" 1
1050 1 54 VAL HA 1 79 ILE HA 4.080 . 4.080 2.041 1.962 2.140 . 0 0 "[ . 1 . 2]" 1
1051 1 54 VAL HA 1 79 ILE MG 5.550 . 5.550 2.301 1.946 2.914 . 0 0 "[ . 1 . 2]" 1
1052 1 54 VAL HB 1 55 ASN H 4.940 . 4.940 4.382 4.274 4.439 . 0 0 "[ . 1 . 2]" 1
1053 1 54 VAL HB 1 70 VAL MG1 5.690 . 5.690 4.584 4.520 4.632 . 0 0 "[ . 1 . 2]" 1
1054 1 54 VAL HB 1 70 VAL MG2 4.480 . 4.480 3.264 3.166 3.401 . 0 0 "[ . 1 . 2]" 1
1055 1 54 VAL HB 1 71 LEU QD 7.260 . 7.260 3.478 3.297 3.636 . 0 0 "[ . 1 . 2]" 1
1056 1 54 VAL MG1 1 55 ASN HA 5.860 . 5.860 4.302 4.102 4.511 . 0 0 "[ . 1 . 2]" 1
1057 1 54 VAL MG1 1 55 ASN HB3 5.420 . 5.420 3.721 3.473 4.144 . 0 0 "[ . 1 . 2]" 1
1058 1 54 VAL MG1 1 55 ASN HB2 5.330 . 5.330 2.799 2.504 4.222 . 0 0 "[ . 1 . 2]" 1
1059 1 54 VAL MG1 1 55 ASN H 4.670 . 4.670 3.034 2.718 3.298 . 0 0 "[ . 1 . 2]" 1
1060 1 54 VAL MG1 1 56 GLY H 6.330 . 6.330 4.762 4.557 4.897 . 0 0 "[ . 1 . 2]" 1
1061 1 54 VAL MG1 1 70 VAL MG1 6.350 . 6.350 4.148 4.097 4.266 . 0 0 "[ . 1 . 2]" 1
1062 1 54 VAL MG1 1 70 VAL MG2 5.050 . 5.050 2.539 2.268 2.761 . 0 0 "[ . 1 . 2]" 1
1063 1 54 VAL MG1 1 71 LEU HA 5.080 . 5.080 3.649 3.555 3.851 . 0 0 "[ . 1 . 2]" 1
1064 1 54 VAL MG1 1 71 LEU MD1 5.350 . 5.350 2.745 2.420 2.987 . 0 0 "[ . 1 . 2]" 1
1065 1 54 VAL MG1 1 71 LEU MD2 5.350 . 5.350 1.838 1.761 2.010 0.039 8 0 "[ . 1 . 2]" 1
1066 1 54 VAL MG1 1 71 LEU QD 5.880 . 5.880 1.810 1.736 1.980 0.064 8 0 "[ . 1 . 2]" 1
1067 1 54 VAL MG1 1 71 LEU HG 5.540 . 5.540 4.124 3.973 4.354 . 0 0 "[ . 1 . 2]" 1
1068 1 54 VAL MG1 1 77 LEU HA 6.170 . 6.170 4.762 4.461 4.884 . 0 0 "[ . 1 . 2]" 1
1069 1 54 VAL MG1 1 77 LEU HB3 5.440 . 5.440 3.534 2.824 3.760 . 0 0 "[ . 1 . 2]" 1
1070 1 54 VAL MG1 1 77 LEU HB2 5.540 . 5.540 2.613 2.356 2.862 . 0 0 "[ . 1 . 2]" 1
1071 1 54 VAL MG1 1 77 LEU MD1 5.790 . 5.790 3.115 2.802 3.966 . 0 0 "[ . 1 . 2]" 1
1072 1 54 VAL MG1 1 77 LEU MD2 5.770 . 5.770 2.562 2.098 2.864 . 0 0 "[ . 1 . 2]" 1
1073 1 54 VAL MG1 1 77 LEU H 6.520 . 6.520 5.399 5.156 5.469 . 0 0 "[ . 1 . 2]" 1
1074 1 54 VAL MG1 1 78 THR HA 6.520 . 6.520 5.170 4.867 5.279 . 0 0 "[ . 1 . 2]" 1
1075 1 54 VAL MG1 1 78 THR H 5.620 . 5.620 4.345 3.923 4.486 . 0 0 "[ . 1 . 2]" 1
1076 1 54 VAL MG1 1 79 ILE HA 5.340 . 5.340 3.414 3.037 3.611 . 0 0 "[ . 1 . 2]" 1
1077 1 54 VAL MG1 1 79 ILE QG 7.220 . 7.220 4.393 4.253 4.730 . 0 0 "[ . 1 . 2]" 1
1078 1 54 VAL MG1 1 79 ILE MG 4.960 . 4.960 1.782 1.686 1.911 0.114 2 0 "[ . 1 . 2]" 1
1079 1 54 VAL MG2 1 55 ASN H 5.420 . 5.420 4.208 4.149 4.260 . 0 0 "[ . 1 . 2]" 1
1080 1 54 VAL MG2 1 59 PHE QB 6.950 . 6.950 3.173 2.844 3.606 . 0 0 "[ . 1 . 2]" 1
1081 1 54 VAL MG2 1 70 VAL HB 6.520 . 6.520 5.125 5.019 5.247 . 0 0 "[ . 1 . 2]" 1
1082 1 54 VAL MG2 1 70 VAL MG1 7.520 . 7.520 5.047 4.944 5.114 . 0 0 "[ . 1 . 2]" 1
1083 1 54 VAL MG2 1 70 VAL MG2 5.630 . 5.630 3.320 3.271 3.388 . 0 0 "[ . 1 . 2]" 1
1084 1 54 VAL MG2 1 71 LEU HA 6.520 . 6.520 5.203 5.098 5.256 . 0 0 "[ . 1 . 2]" 1
1085 1 54 VAL MG2 1 71 LEU MD1 5.940 . 5.940 3.647 3.396 3.810 . 0 0 "[ . 1 . 2]" 1
1086 1 54 VAL MG2 1 71 LEU MD2 5.940 . 5.940 2.131 1.984 2.218 . 0 0 "[ . 1 . 2]" 1
1087 1 54 VAL MG2 1 71 LEU QD 6.320 . 6.320 2.117 1.974 2.202 . 0 0 "[ . 1 . 2]" 1
1088 1 54 VAL MG2 1 71 LEU HG 5.500 . 5.500 4.212 4.000 4.346 . 0 0 "[ . 1 . 2]" 1
1089 1 54 VAL MG2 1 79 ILE HA 4.870 . 4.870 2.885 2.502 3.210 . 0 0 "[ . 1 . 2]" 1
1090 1 54 VAL MG2 1 79 ILE HB 5.040 . 5.040 2.623 2.155 2.762 . 0 0 "[ . 1 . 2]" 1
1091 1 54 VAL MG2 1 79 ILE HG13 6.040 . 6.040 4.692 3.847 4.829 . 0 0 "[ . 1 . 2]" 1
1092 1 54 VAL MG2 1 79 ILE HG12 6.040 . 6.040 4.756 4.419 4.850 . 0 0 "[ . 1 . 2]" 1
1093 1 54 VAL MG2 1 79 ILE MG 5.160 . 5.160 1.884 1.825 2.133 . 0 0 "[ . 1 . 2]" 1
1094 1 54 VAL MG2 1 80 SER H 5.420 . 5.420 3.576 3.250 3.991 . 0 0 "[ . 1 . 2]" 1
1095 1 54 VAL H 1 54 VAL HB 3.570 . 3.570 2.951 2.890 2.984 . 0 0 "[ . 1 . 2]" 1
1096 1 54 VAL H 1 55 ASN H 4.900 . 4.900 3.804 3.667 4.016 . 0 0 "[ . 1 . 2]" 1
1097 1 54 VAL H 1 56 GLY H 4.350 . 4.350 3.266 2.881 3.758 . 0 0 "[ . 1 . 2]" 1
1098 1 54 VAL H 1 57 VAL HB 4.650 . 4.650 3.292 2.891 4.569 . 0 0 "[ . 1 . 2]" 1
1099 1 54 VAL H 1 57 VAL QG 6.470 . 6.470 3.727 1.992 3.977 . 0 0 "[ . 1 . 2]" 1
1100 1 54 VAL H 1 57 VAL H 3.720 . 3.720 3.186 2.150 3.384 . 0 0 "[ . 1 . 2]" 1
1101 1 54 VAL H 1 59 PHE QD 6.180 . 6.180 3.636 3.444 3.887 . 0 0 "[ . 1 . 2]" 1
1102 1 54 VAL H 1 59 PHE QE 6.710 . 6.710 4.363 3.854 4.721 . 0 0 "[ . 1 . 2]" 1
1103 1 54 VAL H 1 59 PHE H 4.870 . 4.870 4.246 3.995 4.655 . 0 0 "[ . 1 . 2]" 1
1104 1 55 ASN HA 1 56 GLY H 3.240 . 3.240 2.902 2.690 3.090 . 0 0 "[ . 1 . 2]" 1
1105 1 55 ASN HA 1 57 VAL H 4.660 . 4.660 4.422 4.326 4.618 . 0 0 "[ . 1 . 2]" 1
1106 1 55 ASN HA 1 78 THR HB 3.910 . 3.910 3.321 3.060 3.586 . 0 0 "[ . 1 . 2]" 1
1107 1 55 ASN HA 1 78 THR MG 6.020 . 6.020 4.689 4.475 4.973 . 0 0 "[ . 1 . 2]" 1
1108 1 55 ASN HA 1 78 THR H 4.190 . 4.190 3.303 3.002 3.623 . 0 0 "[ . 1 . 2]" 1
1109 1 55 ASN HB3 1 56 GLY H 4.840 . 4.840 4.160 4.047 4.647 . 0 0 "[ . 1 . 2]" 1
1110 1 55 ASN HB3 1 57 VAL QG 6.570 . 6.570 3.067 2.605 4.199 . 0 0 "[ . 1 . 2]" 1
1111 1 55 ASN HB2 1 56 GLY H 4.640 . 4.640 4.433 4.178 4.540 . 0 0 "[ . 1 . 2]" 1
1112 1 55 ASN HB2 1 57 VAL QG 6.990 . 6.990 3.924 2.987 4.439 . 0 0 "[ . 1 . 2]" 1
1113 1 55 ASN HB2 1 77 LEU HB2 5.310 . 5.310 3.159 2.395 5.339 0.029 5 0 "[ . 1 . 2]" 1
1114 1 55 ASN HB2 1 78 THR HB 5.500 . 5.500 5.153 4.608 5.510 0.010 5 0 "[ . 1 . 2]" 1
1115 1 55 ASN HD21 1 78 THR H 4.440 . 4.440 3.345 1.997 4.441 0.001 7 0 "[ . 1 . 2]" 1
1116 1 55 ASN HD22 1 78 THR H 4.440 . 4.440 3.877 3.238 4.441 0.001 4 0 "[ . 1 . 2]" 1
1117 1 55 ASN QD 1 74 SER QB 5.700 . 5.700 3.392 2.769 4.202 . 0 0 "[ . 1 . 2]" 1
1118 1 55 ASN QD 1 77 LEU HA 4.840 . 4.840 2.505 1.951 3.171 . 0 0 "[ . 1 . 2]" 1
1119 1 55 ASN QD 1 77 LEU MD2 5.920 . 5.920 3.446 2.461 4.254 . 0 0 "[ . 1 . 2]" 1
1120 1 55 ASN QD 1 77 LEU H 6.200 . 6.200 4.823 4.472 5.298 . 0 0 "[ . 1 . 2]" 1
1121 1 55 ASN QD 1 78 THR H 4.710 . 4.710 3.054 1.983 3.805 . 0 0 "[ . 1 . 2]" 1
1122 1 55 ASN H 1 56 GLY H 3.860 . 3.860 2.692 2.617 2.959 . 0 0 "[ . 1 . 2]" 1
1123 1 55 ASN H 1 77 LEU HA 5.500 . 5.500 5.322 4.894 5.501 0.001 1 0 "[ . 1 . 2]" 1
1124 1 55 ASN H 1 77 LEU HB3 5.360 . 5.360 5.093 4.685 5.371 0.011 5 0 "[ . 1 . 2]" 1
1125 1 55 ASN H 1 78 THR HA 5.500 . 5.500 4.779 4.599 4.876 . 0 0 "[ . 1 . 2]" 1
1126 1 55 ASN H 1 78 THR HB 4.140 . 4.140 3.475 3.016 3.777 . 0 0 "[ . 1 . 2]" 1
1127 1 55 ASN H 1 78 THR MG 5.800 . 5.800 4.303 4.095 4.658 . 0 0 "[ . 1 . 2]" 1
1128 1 55 ASN H 1 78 THR H 4.080 . 4.080 3.634 3.308 3.840 . 0 0 "[ . 1 . 2]" 1
1129 1 56 GLY H 1 57 VAL HB 5.030 . 5.030 4.919 4.797 5.044 0.014 5 0 "[ . 1 . 2]" 1
1130 1 56 GLY H 1 57 VAL QG 6.740 . 6.740 4.167 3.535 4.405 . 0 0 "[ . 1 . 2]" 1
1131 1 56 GLY H 1 57 VAL H 3.570 . 3.570 2.783 2.334 2.904 . 0 0 "[ . 1 . 2]" 1
1132 1 57 VAL HA 1 58 ASP H 2.750 . 2.750 2.154 2.141 2.193 . 0 0 "[ . 1 . 2]" 1
1133 1 57 VAL HB 1 58 ASP H 4.350 . 4.350 4.135 3.946 4.273 . 0 0 "[ . 1 . 2]" 1
1134 1 57 VAL HB 1 62 LEU MD1 5.970 . 5.970 3.918 3.650 4.427 . 0 0 "[ . 1 . 2]" 1
1135 1 57 VAL HB 1 70 VAL MG1 5.350 . 5.350 4.101 3.888 4.284 . 0 0 "[ . 1 . 2]" 1
1136 1 57 VAL QG 1 58 ASP H 5.970 . 5.970 2.559 2.303 2.913 . 0 0 "[ . 1 . 2]" 1
1137 1 57 VAL H 1 57 VAL HB 3.130 . 3.130 2.647 2.491 2.680 . 0 0 "[ . 1 . 2]" 1
1138 1 57 VAL H 1 58 ASP H 5.360 . 5.360 4.512 4.325 4.603 . 0 0 "[ . 1 . 2]" 1
1139 1 57 VAL H 1 59 PHE QD 7.630 . 7.630 5.259 4.802 5.503 . 0 0 "[ . 1 . 2]" 1
1140 1 57 VAL H 1 59 PHE QE 7.630 . 7.630 5.273 4.688 5.806 . 0 0 "[ . 1 . 2]" 1
1141 1 58 ASP HA 1 59 PHE H 2.950 . 2.950 2.145 2.137 2.166 . 0 0 "[ . 1 . 2]" 1
1142 1 58 ASP HB3 1 59 PHE H 5.280 . 5.280 3.768 3.395 4.255 . 0 0 "[ . 1 . 2]" 1
1143 1 58 ASP HB3 1 60 SER H 5.090 . 5.090 3.076 2.533 4.114 . 0 0 "[ . 1 . 2]" 1
1144 1 58 ASP HB2 1 59 PHE H 5.280 . 5.280 4.482 4.289 4.628 . 0 0 "[ . 1 . 2]" 1
1145 1 58 ASP HB2 1 60 SER H 5.090 . 5.090 4.437 3.775 5.044 . 0 0 "[ . 1 . 2]" 1
1146 1 58 ASP QB 1 59 PHE H 5.340 . 5.340 3.575 3.273 3.853 . 0 0 "[ . 1 . 2]" 1
1147 1 58 ASP QB 1 60 SER H 5.210 . 5.210 3.015 2.512 3.856 . 0 0 "[ . 1 . 2]" 1
1148 1 58 ASP QB 1 62 LEU MD1 7.040 . 7.040 4.643 4.285 5.005 . 0 0 "[ . 1 . 2]" 1
1149 1 58 ASP H 1 58 ASP QB 3.750 . 3.750 2.206 2.053 2.402 . 0 0 "[ . 1 . 2]" 1
1150 1 59 PHE HA 1 60 SER H 3.500 . 3.500 3.170 2.971 3.443 . 0 0 "[ . 1 . 2]" 1
1151 1 59 PHE HA 1 62 LEU HA 4.690 . 4.690 4.416 4.157 4.655 . 0 0 "[ . 1 . 2]" 1
1152 1 59 PHE HA 1 62 LEU HB3 4.180 . 4.180 2.389 2.154 2.650 . 0 0 "[ . 1 . 2]" 1
1153 1 59 PHE HA 1 62 LEU HB2 4.180 . 4.180 2.081 1.977 2.317 . 0 0 "[ . 1 . 2]" 1
1154 1 59 PHE HA 1 62 LEU QB 4.540 . 4.540 1.954 1.829 2.095 . 0 0 "[ . 1 . 2]" 1
1155 1 59 PHE HA 1 62 LEU MD1 4.610 . 4.610 3.239 2.971 3.474 . 0 0 "[ . 1 . 2]" 1
1156 1 59 PHE HA 1 62 LEU MD2 4.510 . 4.510 3.052 2.843 3.290 . 0 0 "[ . 1 . 2]" 1
1157 1 59 PHE HA 1 62 LEU HG 4.660 . 4.660 4.613 4.455 4.671 0.011 1 0 "[ . 1 . 2]" 1
1158 1 59 PHE HA 1 62 LEU H 3.780 . 3.780 3.122 2.767 3.470 . 0 0 "[ . 1 . 2]" 1
1159 1 59 PHE HA 1 67 ALA MB 6.520 . 6.520 5.075 4.800 5.275 . 0 0 "[ . 1 . 2]" 1
1160 1 59 PHE HB3 1 60 SER H 4.820 . 4.820 4.054 3.530 4.264 . 0 0 "[ . 1 . 2]" 1
1161 1 59 PHE HB2 1 60 SER H 4.820 . 4.820 3.880 3.401 4.168 . 0 0 "[ . 1 . 2]" 1
1162 1 59 PHE QB 1 60 SER QB 7.100 . 7.100 4.848 4.495 5.169 . 0 0 "[ . 1 . 2]" 1
1163 1 59 PHE QB 1 60 SER H 4.950 . 4.950 3.527 3.083 3.750 . 0 0 "[ . 1 . 2]" 1
1164 1 59 PHE QB 1 62 LEU QB 6.940 . 6.940 3.522 3.289 3.654 . 0 0 "[ . 1 . 2]" 1
1165 1 59 PHE QB 1 62 LEU MD1 6.980 . 6.980 4.685 4.526 4.843 . 0 0 "[ . 1 . 2]" 1
1166 1 59 PHE QB 1 62 LEU MD2 7.010 . 7.010 3.746 3.518 3.950 . 0 0 "[ . 1 . 2]" 1
1167 1 59 PHE QD 1 60 SER H 6.910 . 6.910 4.636 4.524 4.751 . 0 0 "[ . 1 . 2]" 1
1168 1 59 PHE QE 1 70 VAL H 7.630 . 7.630 5.403 5.096 5.723 . 0 0 "[ . 1 . 2]" 1
1169 1 59 PHE QE 1 71 LEU H 7.540 . 7.540 5.114 4.838 5.473 . 0 0 "[ . 1 . 2]" 1
1170 1 59 PHE H 1 59 PHE HB3 4.000 . 4.000 3.432 3.338 3.523 . 0 0 "[ . 1 . 2]" 1
1171 1 59 PHE H 1 59 PHE HB2 4.000 . 4.000 2.216 2.127 2.275 . 0 0 "[ . 1 . 2]" 1
1172 1 59 PHE H 1 60 SER HA 5.190 . 5.190 4.731 4.609 4.859 . 0 0 "[ . 1 . 2]" 1
1173 1 59 PHE H 1 60 SER QB 5.300 . 5.300 4.227 3.857 4.606 . 0 0 "[ . 1 . 2]" 1
1174 1 59 PHE H 1 60 SER H 3.370 . 3.370 2.542 2.142 2.754 . 0 0 "[ . 1 . 2]" 1
1175 1 59 PHE H 1 62 LEU MD1 6.520 . 6.520 5.043 4.847 5.192 . 0 0 "[ . 1 . 2]" 1
1176 1 60 SER HA 1 62 LEU H 4.520 . 4.520 4.224 3.977 4.489 . 0 0 "[ . 1 . 2]" 1
1177 1 60 SER QB 1 61 ASN H 4.790 . 4.790 2.636 2.020 3.516 . 0 0 "[ . 1 . 2]" 1
1178 1 60 SER QB 1 62 LEU H 5.740 . 5.740 4.562 4.182 5.101 . 0 0 "[ . 1 . 2]" 1
1179 1 60 SER H 1 61 ASN H 4.380 . 4.380 2.660 2.456 2.882 . 0 0 "[ . 1 . 2]" 1
1180 1 60 SER H 1 62 LEU H 4.750 . 4.750 3.864 3.613 4.225 . 0 0 "[ . 1 . 2]" 1
1181 1 61 ASN HA 1 62 LEU H 3.180 . 3.180 2.919 2.854 2.967 . 0 0 "[ . 1 . 2]" 1
1182 1 61 ASN HB3 1 62 LEU H 4.760 . 4.760 4.383 4.063 4.633 . 0 0 "[ . 1 . 2]" 1
1183 1 61 ASN HB2 1 62 LEU H 4.760 . 4.760 4.363 4.115 4.522 . 0 0 "[ . 1 . 2]" 1
1184 1 61 ASN QB 1 62 LEU H 4.930 . 4.930 3.884 3.767 4.032 . 0 0 "[ . 1 . 2]" 1
1185 1 61 ASN H 1 61 ASN HB3 4.180 . 4.180 3.254 2.786 3.856 . 0 0 "[ . 1 . 2]" 1
1186 1 61 ASN H 1 61 ASN HB2 4.180 . 4.180 3.082 2.339 3.841 . 0 0 "[ . 1 . 2]" 1
1187 1 61 ASN H 1 62 LEU H 3.530 . 3.530 2.524 2.242 2.825 . 0 0 "[ . 1 . 2]" 1
1188 1 62 LEU HA 1 62 LEU MD1 4.260 . 4.260 2.819 2.638 2.913 . 0 0 "[ . 1 . 2]" 1
1189 1 62 LEU HA 1 62 LEU HG 4.210 . 4.210 2.577 2.454 2.682 . 0 0 "[ . 1 . 2]" 1
1190 1 62 LEU HA 1 63 ASP H 2.780 . 2.780 2.256 2.212 2.279 . 0 0 "[ . 1 . 2]" 1
1191 1 62 LEU HB3 1 63 ASP H 4.060 . 4.060 3.842 3.711 4.027 . 0 0 "[ . 1 . 2]" 1
1192 1 62 LEU HB3 1 66 GLU HB3 5.200 . 5.200 4.705 4.489 4.953 . 0 0 "[ . 1 . 2]" 1
1193 1 62 LEU HB2 1 63 ASP H 4.060 . 4.060 4.046 4.019 4.064 0.004 7 0 "[ . 1 . 2]" 1
1194 1 62 LEU HB2 1 66 GLU HB3 5.200 . 5.200 4.668 4.523 4.785 . 0 0 "[ . 1 . 2]" 1
1195 1 62 LEU QB 1 66 GLU HB3 5.420 . 5.420 4.173 4.028 4.307 . 0 0 "[ . 1 . 2]" 1
1196 1 62 LEU QB 1 66 GLU HB2 6.020 . 6.020 4.504 4.211 5.107 . 0 0 "[ . 1 . 2]" 1
1197 1 62 LEU MD1 1 63 ASP QB 7.240 . 7.240 4.525 4.300 4.885 . 0 0 "[ . 1 . 2]" 1
1198 1 62 LEU MD1 1 63 ASP H 5.060 . 5.060 3.363 3.150 3.563 . 0 0 "[ . 1 . 2]" 1
1199 1 62 LEU MD1 1 66 GLU HA 5.950 . 5.950 4.257 4.090 4.478 . 0 0 "[ . 1 . 2]" 1
1200 1 62 LEU MD1 1 66 GLU HB3 4.940 . 4.940 2.040 1.911 2.366 . 0 0 "[ . 1 . 2]" 1
1201 1 62 LEU MD1 1 66 GLU HB2 5.050 . 5.050 3.255 2.944 3.679 . 0 0 "[ . 1 . 2]" 1
1202 1 62 LEU MD1 1 66 GLU HG3 5.750 . 5.750 3.829 2.907 4.332 . 0 0 "[ . 1 . 2]" 1
1203 1 62 LEU MD1 1 66 GLU HG2 5.750 . 5.750 3.418 2.434 4.274 . 0 0 "[ . 1 . 2]" 1
1204 1 62 LEU MD1 1 66 GLU QG 5.820 . 5.820 3.068 2.402 3.624 . 0 0 "[ . 1 . 2]" 1
1205 1 62 LEU MD1 1 66 GLU H 6.520 . 6.520 4.938 4.702 5.116 . 0 0 "[ . 1 . 2]" 1
1206 1 62 LEU MD1 1 67 ALA HA 5.000 . 5.000 3.745 3.514 3.899 . 0 0 "[ . 1 . 2]" 1
1207 1 62 LEU MD1 1 67 ALA MB 6.370 . 6.370 4.148 3.950 4.339 . 0 0 "[ . 1 . 2]" 1
1208 1 62 LEU MD1 1 67 ALA H 5.720 . 5.720 4.202 3.817 4.371 . 0 0 "[ . 1 . 2]" 1
1209 1 62 LEU MD1 1 70 VAL MG1 5.560 . 5.560 3.143 2.939 3.324 . 0 0 "[ . 1 . 2]" 1
1210 1 62 LEU MD1 1 70 VAL MG2 5.750 . 5.750 3.470 3.259 3.569 . 0 0 "[ . 1 . 2]" 1
1211 1 62 LEU MD1 1 70 VAL H 6.440 . 6.440 5.157 5.022 5.236 . 0 0 "[ . 1 . 2]" 1
1212 1 62 LEU MD2 1 63 ASP QB 6.930 . 6.930 4.277 4.131 4.463 . 0 0 "[ . 1 . 2]" 1
1213 1 62 LEU MD2 1 63 ASP H 4.620 . 4.620 3.485 3.236 3.672 . 0 0 "[ . 1 . 2]" 1
1214 1 62 LEU MD2 1 66 GLU HA 5.570 . 5.570 4.114 3.824 4.362 . 0 0 "[ . 1 . 2]" 1
1215 1 62 LEU MD2 1 66 GLU HB3 4.880 . 4.880 2.454 2.184 2.782 . 0 0 "[ . 1 . 2]" 1
1216 1 62 LEU MD2 1 66 GLU HB2 4.970 . 4.970 3.012 2.725 3.517 . 0 0 "[ . 1 . 2]" 1
1217 1 62 LEU MD2 1 66 GLU HG3 6.110 . 6.110 4.646 4.339 5.017 . 0 0 "[ . 1 . 2]" 1
1218 1 62 LEU MD2 1 66 GLU HG2 6.110 . 6.110 4.541 4.053 5.002 . 0 0 "[ . 1 . 2]" 1
1219 1 62 LEU MD2 1 66 GLU QG 6.150 . 6.150 4.071 3.759 4.388 . 0 0 "[ . 1 . 2]" 1
1220 1 62 LEU MD2 1 67 ALA HA 4.760 . 4.760 1.980 1.903 2.160 . 0 0 "[ . 1 . 2]" 1
1221 1 62 LEU MD2 1 67 ALA MB 5.460 . 5.460 1.915 1.810 2.051 . 0 0 "[ . 1 . 2]" 1
1222 1 62 LEU MD2 1 67 ALA H 5.410 . 5.410 2.184 1.982 2.373 . 0 0 "[ . 1 . 2]" 1
1223 1 62 LEU MD2 1 70 VAL MG1 5.950 . 5.950 3.519 3.322 3.727 . 0 0 "[ . 1 . 2]" 1
1224 1 62 LEU MD2 1 70 VAL MG2 5.170 . 5.170 2.938 2.806 3.169 . 0 0 "[ . 1 . 2]" 1
1225 1 62 LEU HG 1 63 ASP H 3.880 . 3.880 2.012 1.978 2.179 . 0 0 "[ . 1 . 2]" 1
1226 1 62 LEU HG 1 66 GLU QG 5.950 . 5.950 3.538 3.261 3.910 . 0 0 "[ . 1 . 2]" 1
1227 1 62 LEU HG 1 67 ALA H 4.350 . 4.350 3.611 3.283 3.770 . 0 0 "[ . 1 . 2]" 1
1228 1 62 LEU H 1 62 LEU HB3 3.220 . 3.220 2.532 2.447 2.635 . 0 0 "[ . 1 . 2]" 1
1229 1 62 LEU H 1 62 LEU HB2 3.220 . 3.220 2.628 2.449 2.745 . 0 0 "[ . 1 . 2]" 1
1230 1 62 LEU H 1 62 LEU QB 3.690 . 3.690 2.293 2.239 2.393 . 0 0 "[ . 1 . 2]" 1
1231 1 62 LEU H 1 62 LEU MD1 5.310 . 5.310 4.224 4.030 4.332 . 0 0 "[ . 1 . 2]" 1
1232 1 62 LEU H 1 62 LEU MD2 5.540 . 5.540 4.209 4.106 4.314 . 0 0 "[ . 1 . 2]" 1
1233 1 62 LEU H 1 63 ASP H 4.700 . 4.700 4.587 4.534 4.616 . 0 0 "[ . 1 . 2]" 1
1234 1 63 ASP HA 1 64 HIS H 3.040 . 3.040 2.426 2.315 2.523 . 0 0 "[ . 1 . 2]" 1
1235 1 63 ASP HA 1 65 LYS H 5.080 . 5.080 4.725 4.583 4.906 . 0 0 "[ . 1 . 2]" 1
1236 1 63 ASP HB3 1 64 HIS H 4.270 . 4.270 2.919 2.323 3.324 . 0 0 "[ . 1 . 2]" 1
1237 1 63 ASP HB3 1 65 LYS H 5.100 . 5.100 3.119 2.874 3.367 . 0 0 "[ . 1 . 2]" 1
1238 1 63 ASP HB3 1 66 GLU HB3 5.070 . 5.070 4.482 3.785 5.068 . 0 0 "[ . 1 . 2]" 1
1239 1 63 ASP HB3 1 66 GLU HB2 4.900 . 4.900 2.772 2.302 3.310 . 0 0 "[ . 1 . 2]" 1
1240 1 63 ASP HB3 1 66 GLU HG3 5.500 . 5.500 3.929 2.950 5.501 0.001 11 0 "[ . 1 . 2]" 1
1241 1 63 ASP HB3 1 66 GLU HG2 5.500 . 5.500 4.663 3.589 5.390 . 0 0 "[ . 1 . 2]" 1
1242 1 63 ASP HB3 1 66 GLU H 4.960 . 4.960 2.461 2.256 2.807 . 0 0 "[ . 1 . 2]" 1
1243 1 63 ASP HB2 1 64 HIS H 4.270 . 4.270 3.969 3.774 4.127 . 0 0 "[ . 1 . 2]" 1
1244 1 63 ASP HB2 1 65 LYS H 5.100 . 5.100 4.775 4.429 4.977 . 0 0 "[ . 1 . 2]" 1
1245 1 63 ASP HB2 1 66 GLU HB3 5.070 . 5.070 4.534 3.621 5.021 . 0 0 "[ . 1 . 2]" 1
1246 1 63 ASP HB2 1 66 GLU HB2 4.900 . 4.900 3.040 2.091 3.541 . 0 0 "[ . 1 . 2]" 1
1247 1 63 ASP HB2 1 66 GLU HG3 5.500 . 5.500 3.879 2.799 5.384 . 0 0 "[ . 1 . 2]" 1
1248 1 63 ASP HB2 1 66 GLU HG2 5.500 . 5.500 4.548 3.502 5.361 . 0 0 "[ . 1 . 2]" 1
1249 1 63 ASP HB2 1 66 GLU H 4.960 . 4.960 3.740 3.121 4.057 . 0 0 "[ . 1 . 2]" 1
1250 1 63 ASP QB 1 64 HIS H 4.600 . 4.600 2.841 2.303 3.193 . 0 0 "[ . 1 . 2]" 1
1251 1 63 ASP QB 1 66 GLU HB3 5.340 . 5.340 3.964 3.502 4.397 . 0 0 "[ . 1 . 2]" 1
1252 1 63 ASP QB 1 66 GLU QG 5.870 . 5.870 3.133 2.659 3.829 . 0 0 "[ . 1 . 2]" 1
1253 1 63 ASP QB 1 66 GLU H 5.070 . 5.070 2.412 2.242 2.643 . 0 0 "[ . 1 . 2]" 1
1254 1 63 ASP QB 1 67 ALA H 6.220 . 6.220 4.192 4.050 4.382 . 0 0 "[ . 1 . 2]" 1
1255 1 63 ASP H 1 63 ASP HB3 3.630 . 3.630 3.086 2.832 3.468 . 0 0 "[ . 1 . 2]" 1
1256 1 63 ASP H 1 63 ASP HB2 3.630 . 3.630 2.223 2.077 2.369 . 0 0 "[ . 1 . 2]" 1
1257 1 63 ASP H 1 66 GLU HB3 4.380 . 4.380 3.413 3.068 3.686 . 0 0 "[ . 1 . 2]" 1
1258 1 63 ASP H 1 66 GLU HB2 3.930 . 3.930 2.509 2.253 2.894 . 0 0 "[ . 1 . 2]" 1
1259 1 63 ASP H 1 66 GLU QG 5.840 . 5.840 3.558 2.970 3.966 . 0 0 "[ . 1 . 2]" 1
1260 1 63 ASP H 1 66 GLU H 4.760 . 4.760 4.125 3.840 4.400 . 0 0 "[ . 1 . 2]" 1
1261 1 63 ASP H 1 67 ALA H 5.000 . 5.000 4.557 4.366 4.867 . 0 0 "[ . 1 . 2]" 1
1262 1 64 HIS HA 1 67 ALA MB 4.680 . 4.680 2.905 2.696 3.077 . 0 0 "[ . 1 . 2]" 1
1263 1 64 HIS HA 1 67 ALA H 4.250 . 4.250 3.558 3.484 3.641 . 0 0 "[ . 1 . 2]" 1
1264 1 64 HIS HA 1 68 VAL H 4.940 . 4.940 4.436 4.303 4.485 . 0 0 "[ . 1 . 2]" 1
1265 1 64 HIS HB3 1 65 LYS H 3.820 . 3.820 2.300 2.219 2.505 . 0 0 "[ . 1 . 2]" 1
1266 1 64 HIS HB2 1 65 LYS H 3.820 . 3.820 3.571 3.340 3.697 . 0 0 "[ . 1 . 2]" 1
1267 1 64 HIS QB 1 65 LYS HA 6.220 . 6.220 3.940 3.769 4.140 . 0 0 "[ . 1 . 2]" 1
1268 1 64 HIS QB 1 65 LYS H 4.110 . 4.110 2.272 2.201 2.441 . 0 0 "[ . 1 . 2]" 1
1269 1 64 HIS H 1 64 HIS HB3 3.560 . 3.560 2.724 2.459 3.023 . 0 0 "[ . 1 . 2]" 1
1270 1 64 HIS H 1 64 HIS HB2 3.560 . 3.560 2.359 2.134 2.580 . 0 0 "[ . 1 . 2]" 1
1271 1 64 HIS H 1 64 HIS HD2 5.190 . 5.190 5.040 4.800 5.207 0.017 7 0 "[ . 1 . 2]" 1
1272 1 64 HIS H 1 65 LYS H 3.850 . 3.850 2.802 2.710 2.859 . 0 0 "[ . 1 . 2]" 1
1273 1 64 HIS H 1 66 GLU H 4.990 . 4.990 4.020 3.824 4.151 . 0 0 "[ . 1 . 2]" 1
1274 1 65 LYS HA 1 65 LYS QD 5.110 . 5.110 3.609 2.049 4.417 . 0 0 "[ . 1 . 2]" 1
1275 1 65 LYS HA 1 65 LYS QE 6.030 . 6.030 4.149 2.244 4.965 . 0 0 "[ . 1 . 2]" 1
1276 1 65 LYS HA 1 65 LYS HG3 4.110 . 4.110 3.107 2.151 4.101 . 0 0 "[ . 1 . 2]" 1
1277 1 65 LYS HA 1 65 LYS HG2 4.110 . 4.110 2.795 2.065 3.741 . 0 0 "[ . 1 . 2]" 1
1278 1 65 LYS HA 1 68 VAL HB 3.510 . 3.510 3.022 2.901 3.062 . 0 0 "[ . 1 . 2]" 1
1279 1 65 LYS HA 1 68 VAL MG1 5.320 . 5.320 4.398 4.254 4.435 . 0 0 "[ . 1 . 2]" 1
1280 1 65 LYS HA 1 68 VAL MG2 4.940 . 4.940 3.049 2.839 3.183 . 0 0 "[ . 1 . 2]" 1
1281 1 65 LYS HA 1 69 ASN H 4.810 . 4.810 3.909 3.819 4.069 . 0 0 "[ . 1 . 2]" 1
1282 1 65 LYS H 1 65 LYS QB 3.860 . 3.860 2.301 2.053 2.631 . 0 0 "[ . 1 . 2]" 1
1283 1 65 LYS H 1 65 LYS HG3 4.300 . 4.300 3.089 2.066 4.232 . 0 0 "[ . 1 . 2]" 1
1284 1 65 LYS H 1 65 LYS HG2 4.300 . 4.300 3.324 1.992 4.196 . 0 0 "[ . 1 . 2]" 1
1285 1 65 LYS H 1 65 LYS QG 4.490 . 4.490 2.616 1.975 3.414 . 0 0 "[ . 1 . 2]" 1
1286 1 65 LYS H 1 66 GLU H 3.270 . 3.270 2.725 2.694 2.790 . 0 0 "[ . 1 . 2]" 1
1287 1 66 GLU HA 1 66 GLU HG3 3.960 . 3.960 2.772 2.045 3.571 . 0 0 "[ . 1 . 2]" 1
1288 1 66 GLU HA 1 66 GLU HG2 3.960 . 3.960 2.673 2.092 3.570 . 0 0 "[ . 1 . 2]" 1
1289 1 66 GLU HA 1 68 VAL H 4.790 . 4.790 4.546 4.449 4.606 . 0 0 "[ . 1 . 2]" 1
1290 1 66 GLU HA 1 69 ASN HB3 3.700 . 3.700 3.198 2.829 3.520 . 0 0 "[ . 1 . 2]" 1
1291 1 66 GLU HA 1 69 ASN HB2 3.700 . 3.700 2.789 2.462 2.991 . 0 0 "[ . 1 . 2]" 1
1292 1 66 GLU HA 1 69 ASN QB 4.040 . 4.040 2.608 2.417 2.804 . 0 0 "[ . 1 . 2]" 1
1293 1 66 GLU HA 1 69 ASN H 3.660 . 3.660 3.528 3.412 3.658 . 0 0 "[ . 1 . 2]" 1
1294 1 66 GLU HA 1 70 VAL MG1 5.880 . 5.880 3.750 3.579 4.059 . 0 0 "[ . 1 . 2]" 1
1295 1 66 GLU HA 1 70 VAL H 4.120 . 4.120 3.848 3.749 3.961 . 0 0 "[ . 1 . 2]" 1
1296 1 66 GLU HB3 1 67 ALA H 3.980 . 3.980 3.173 2.828 3.415 . 0 0 "[ . 1 . 2]" 1
1297 1 66 GLU HB3 1 69 ASN HB3 5.500 . 5.500 5.311 4.889 5.502 0.002 12 0 "[ . 1 . 2]" 1
1298 1 66 GLU HB3 1 69 ASN HB2 5.500 . 5.500 5.344 4.845 5.503 0.003 19 0 "[ . 1 . 2]" 1
1299 1 66 GLU HB3 1 70 VAL MG1 5.760 . 5.760 3.728 3.545 4.106 . 0 0 "[ . 1 . 2]" 1
1300 1 66 GLU HB2 1 67 ALA H 3.690 . 3.690 2.911 2.688 3.331 . 0 0 "[ . 1 . 2]" 1
1301 1 66 GLU QG 1 67 ALA H 6.030 . 6.030 4.414 4.282 4.605 . 0 0 "[ . 1 . 2]" 1
1302 1 66 GLU QG 1 69 ASN QB 6.230 . 6.230 3.977 3.682 4.227 . 0 0 "[ . 1 . 2]" 1
1303 1 66 GLU QG 1 70 VAL MG1 6.220 . 6.220 4.069 3.560 4.590 . 0 0 "[ . 1 . 2]" 1
1304 1 66 GLU H 1 66 GLU HB3 3.560 . 3.560 3.432 3.130 3.546 . 0 0 "[ . 1 . 2]" 1
1305 1 66 GLU H 1 66 GLU HB2 3.350 . 3.350 2.150 2.061 2.284 . 0 0 "[ . 1 . 2]" 1
1306 1 66 GLU H 1 66 GLU QG 4.490 . 4.490 3.138 2.582 3.753 . 0 0 "[ . 1 . 2]" 1
1307 1 66 GLU H 1 67 ALA MB 5.430 . 5.430 4.314 4.252 4.377 . 0 0 "[ . 1 . 2]" 1
1308 1 66 GLU H 1 67 ALA H 2.830 . 2.830 2.694 2.614 2.760 . 0 0 "[ . 1 . 2]" 1
1309 1 67 ALA HA 1 70 VAL HB 5.340 . 5.340 5.156 4.988 5.342 0.002 5 0 "[ . 1 . 2]" 1
1310 1 67 ALA HA 1 70 VAL MG1 5.330 . 5.330 3.818 3.706 4.003 . 0 0 "[ . 1 . 2]" 1
1311 1 67 ALA HA 1 70 VAL MG2 5.200 . 5.200 2.317 2.198 2.473 . 0 0 "[ . 1 . 2]" 1
1312 1 67 ALA HA 1 70 VAL H 4.330 . 4.330 3.991 3.842 4.063 . 0 0 "[ . 1 . 2]" 1
1313 1 67 ALA MB 1 68 VAL HA 5.500 . 5.500 3.762 3.697 3.825 . 0 0 "[ . 1 . 2]" 1
1314 1 67 ALA MB 1 68 VAL H 3.820 . 3.820 2.508 2.414 2.647 . 0 0 "[ . 1 . 2]" 1
1315 1 67 ALA H 1 68 VAL H 2.960 . 2.960 2.710 2.624 2.783 . 0 0 "[ . 1 . 2]" 1
1316 1 67 ALA H 1 69 ASN QB 6.220 . 6.220 4.775 4.669 4.957 . 0 0 "[ . 1 . 2]" 1
1317 1 68 VAL HA 2 6 THR MG 6.160 . 6.160 4.156 3.724 4.692 . 0 0 "[ . 1 . 2]" 1
1318 1 68 VAL HA 2 8 LEU MD1 5.260 . 5.260 3.753 2.809 4.302 . 0 0 "[ . 1 . 2]" 1
1319 1 68 VAL HA 2 8 LEU MD2 5.260 . 5.260 2.395 2.024 2.974 . 0 0 "[ . 1 . 2]" 1
1320 1 68 VAL HA 1 70 VAL H 5.020 . 5.020 4.807 4.675 4.928 . 0 0 "[ . 1 . 2]" 1
1321 1 68 VAL HA 1 71 LEU HA 5.500 . 5.500 5.458 5.369 5.507 0.007 8 0 "[ . 1 . 2]" 1
1322 1 68 VAL HA 1 71 LEU HB3 4.670 . 4.670 3.818 3.693 3.909 . 0 0 "[ . 1 . 2]" 1
1323 1 68 VAL HA 1 71 LEU HB2 3.930 . 3.930 2.581 2.492 2.657 . 0 0 "[ . 1 . 2]" 1
1324 1 68 VAL HA 1 71 LEU QD 5.850 . 5.850 3.883 3.563 3.991 . 0 0 "[ . 1 . 2]" 1
1325 1 68 VAL HA 1 71 LEU HG 5.230 . 5.230 4.170 4.001 4.300 . 0 0 "[ . 1 . 2]" 1
1326 1 68 VAL HA 1 71 LEU H 4.220 . 4.220 3.635 3.574 3.687 . 0 0 "[ . 1 . 2]" 1
1327 1 68 VAL HA 1 72 LYS QD 5.620 . 5.620 3.048 2.845 3.178 . 0 0 "[ . 1 . 2]" 1
1328 1 68 VAL HA 1 72 LYS H 4.430 . 4.430 4.000 3.905 4.058 . 0 0 "[ . 1 . 2]" 1
1329 1 68 VAL HB 2 6 THR MG 5.740 . 5.740 3.521 3.074 4.199 . 0 0 "[ . 1 . 2]" 1
1330 1 68 VAL HB 1 69 ASN H 3.150 . 3.150 2.608 2.463 2.739 . 0 0 "[ . 1 . 2]" 1
1331 1 68 VAL MG1 1 69 ASN H 4.610 . 4.610 3.586 3.469 3.703 . 0 0 "[ . 1 . 2]" 1
1332 1 68 VAL MG1 1 72 LYS QD 5.230 . 5.230 1.946 1.819 2.091 . 0 0 "[ . 1 . 2]" 1
1333 1 68 VAL MG1 1 72 LYS QE 5.250 . 5.250 2.237 1.821 2.529 . 0 0 "[ . 1 . 2]" 1
1334 1 68 VAL MG1 1 72 LYS H 5.050 . 5.050 3.935 3.765 4.062 . 0 0 "[ . 1 . 2]" 1
1335 1 68 VAL MG2 2 6 THR HB 5.610 . 5.610 2.341 1.961 2.891 . 0 0 "[ . 1 . 2]" 1
1336 1 68 VAL MG2 2 6 THR MG 5.080 . 5.080 1.985 1.719 2.410 0.081 6 0 "[ . 1 . 2]" 1
1337 1 68 VAL MG2 1 72 LYS QD 5.920 . 5.920 4.092 3.863 4.184 . 0 0 "[ . 1 . 2]" 1
1338 1 68 VAL MG2 1 72 LYS QE 5.930 . 5.930 4.019 3.637 4.314 . 0 0 "[ . 1 . 2]" 1
1339 1 68 VAL H 1 68 VAL HB 3.110 . 3.110 2.606 2.582 2.634 . 0 0 "[ . 1 . 2]" 1
1340 1 68 VAL H 1 68 VAL MG2 3.920 . 3.920 2.013 1.956 2.182 . 0 0 "[ . 1 . 2]" 1
1341 1 68 VAL H 1 69 ASN H 3.340 . 3.340 2.598 2.555 2.641 . 0 0 "[ . 1 . 2]" 1
1342 1 69 ASN HA 1 70 VAL MG1 6.200 . 6.200 5.008 4.951 5.064 . 0 0 "[ . 1 . 2]" 1
1343 1 69 ASN HA 1 72 LYS HB3 4.230 . 4.230 3.895 3.753 3.990 . 0 0 "[ . 1 . 2]" 1
1344 1 69 ASN HA 1 72 LYS HB2 4.230 . 4.230 2.670 2.643 2.696 . 0 0 "[ . 1 . 2]" 1
1345 1 69 ASN HA 1 72 LYS QB 4.510 . 4.510 2.626 2.593 2.654 . 0 0 "[ . 1 . 2]" 1
1346 1 69 ASN HA 1 72 LYS QD 5.480 . 5.480 4.225 4.142 4.279 . 0 0 "[ . 1 . 2]" 1
1347 1 69 ASN HA 1 72 LYS HG3 5.500 . 5.500 5.515 5.507 5.527 0.027 9 0 "[ . 1 . 2]" 1
1348 1 69 ASN HA 1 72 LYS HG2 4.790 . 4.790 4.340 4.293 4.410 . 0 0 "[ . 1 . 2]" 1
1349 1 69 ASN HA 1 72 LYS H 3.770 . 3.770 3.520 3.486 3.562 . 0 0 "[ . 1 . 2]" 1
1350 1 69 ASN HB3 1 70 VAL MG1 5.660 . 5.660 3.057 2.871 3.250 . 0 0 "[ . 1 . 2]" 1
1351 1 69 ASN HB3 1 70 VAL MG2 6.500 . 6.500 4.119 3.968 4.398 . 0 0 "[ . 1 . 2]" 1
1352 1 69 ASN HB2 1 70 VAL MG1 5.660 . 5.660 4.244 3.814 4.550 . 0 0 "[ . 1 . 2]" 1
1353 1 69 ASN HB2 1 70 VAL MG2 6.500 . 6.500 4.721 4.367 4.993 . 0 0 "[ . 1 . 2]" 1
1354 1 69 ASN QB 1 70 VAL MG1 5.820 . 5.820 2.986 2.833 3.139 . 0 0 "[ . 1 . 2]" 1
1355 1 69 ASN QB 1 70 VAL MG2 6.620 . 6.620 3.867 3.789 3.946 . 0 0 "[ . 1 . 2]" 1
1356 1 69 ASN QB 1 70 VAL H 4.410 . 4.410 2.305 2.173 2.487 . 0 0 "[ . 1 . 2]" 1
1357 1 69 ASN H 1 69 ASN HB3 3.540 . 3.540 3.074 2.838 3.354 . 0 0 "[ . 1 . 2]" 1
1358 1 69 ASN H 1 69 ASN HB2 3.540 . 3.540 2.130 2.067 2.264 . 0 0 "[ . 1 . 2]" 1
1359 1 69 ASN H 1 69 ASN QB 3.710 . 3.710 2.091 2.045 2.179 . 0 0 "[ . 1 . 2]" 1
1360 1 69 ASN H 1 70 VAL MG1 6.020 . 6.020 4.479 4.361 4.625 . 0 0 "[ . 1 . 2]" 1
1361 1 69 ASN H 1 70 VAL H 3.490 . 3.490 2.899 2.774 2.973 . 0 0 "[ . 1 . 2]" 1
1362 1 69 ASN H 1 72 LYS QD 6.120 . 6.120 4.813 4.654 4.896 . 0 0 "[ . 1 . 2]" 1
1363 1 70 VAL HA 1 72 LYS H 4.860 . 4.860 4.172 4.113 4.254 . 0 0 "[ . 1 . 2]" 1
1364 1 70 VAL HA 1 73 SER HA 5.280 . 5.280 5.207 4.919 5.287 0.007 12 0 "[ . 1 . 2]" 1
1365 1 70 VAL HA 1 73 SER HB3 4.080 . 4.080 2.942 2.462 3.471 . 0 0 "[ . 1 . 2]" 1
1366 1 70 VAL HA 1 73 SER HB2 4.080 . 4.080 2.928 2.295 3.462 . 0 0 "[ . 1 . 2]" 1
1367 1 70 VAL HA 1 73 SER QB 4.450 . 4.450 2.538 2.230 2.682 . 0 0 "[ . 1 . 2]" 1
1368 1 70 VAL HA 1 73 SER H 4.060 . 4.060 3.299 3.145 3.348 . 0 0 "[ . 1 . 2]" 1
1369 1 70 VAL HB 1 71 LEU H 3.720 . 3.720 3.625 3.575 3.722 0.002 20 0 "[ . 1 . 2]" 1
1370 1 70 VAL MG1 1 71 LEU H 5.470 . 5.470 3.875 3.850 3.915 . 0 0 "[ . 1 . 2]" 1
1371 1 70 VAL MG1 1 73 SER HB3 6.090 . 6.090 4.569 4.253 4.949 . 0 0 "[ . 1 . 2]" 1
1372 1 70 VAL MG1 1 73 SER HB2 6.090 . 6.090 4.515 3.991 4.925 . 0 0 "[ . 1 . 2]" 1
1373 1 70 VAL MG1 1 73 SER QB 6.250 . 6.250 4.022 3.750 4.133 . 0 0 "[ . 1 . 2]" 1
1374 1 70 VAL MG2 1 71 LEU HA 5.320 . 5.320 3.254 3.189 3.395 . 0 0 "[ . 1 . 2]" 1
1375 1 70 VAL MG2 1 71 LEU QD 6.950 . 6.950 1.780 1.761 1.805 0.039 20 0 "[ . 1 . 2]" 1
1376 1 70 VAL MG2 1 71 LEU HG 6.180 . 6.180 4.037 3.948 4.316 . 0 0 "[ . 1 . 2]" 1
1377 1 70 VAL MG2 1 71 LEU H 5.270 . 5.270 1.921 1.894 1.955 . 0 0 "[ . 1 . 2]" 1
1378 1 70 VAL MG2 1 73 SER QB 7.000 . 7.000 4.780 4.575 4.906 . 0 0 "[ . 1 . 2]" 1
1379 1 70 VAL MG2 1 73 SER H 6.050 . 6.050 4.797 4.692 4.873 . 0 0 "[ . 1 . 2]" 1
1380 1 70 VAL H 1 70 VAL HB 3.700 . 3.700 3.617 3.612 3.625 . 0 0 "[ . 1 . 2]" 1
1381 1 70 VAL H 1 70 VAL MG1 4.070 . 4.070 2.191 2.067 2.338 . 0 0 "[ . 1 . 2]" 1
1382 1 70 VAL H 1 70 VAL MG2 4.730 . 4.730 2.039 1.968 2.134 . 0 0 "[ . 1 . 2]" 1
1383 1 70 VAL H 1 71 LEU HB2 4.990 . 4.990 4.621 4.562 4.657 . 0 0 "[ . 1 . 2]" 1
1384 1 70 VAL H 1 71 LEU H 3.340 . 3.340 2.755 2.709 2.793 . 0 0 "[ . 1 . 2]" 1
1385 1 71 LEU HA 2 8 LEU QD 7.540 . 7.540 4.457 4.032 5.270 . 0 0 "[ . 1 . 2]" 1
1386 1 71 LEU HA 1 71 LEU HG 4.000 . 4.000 3.654 3.628 3.672 . 0 0 "[ . 1 . 2]" 1
1387 1 71 LEU HA 1 77 LEU MD1 5.130 . 5.130 2.934 2.530 3.316 . 0 0 "[ . 1 . 2]" 1
1388 1 71 LEU HA 1 77 LEU MD2 4.500 . 4.500 1.905 1.796 2.104 0.004 5 0 "[ . 1 . 2]" 1
1389 1 71 LEU HA 1 79 ILE MG 6.520 . 6.520 4.642 4.378 4.852 . 0 0 "[ . 1 . 2]" 1
1390 1 71 LEU HB3 2 8 LEU QD 6.600 . 6.600 2.382 1.881 3.324 . 0 0 "[ . 1 . 2]" 1
1391 1 71 LEU HB3 1 72 LYS H 4.020 . 4.020 3.431 3.350 3.488 . 0 0 "[ . 1 . 2]" 1
1392 1 71 LEU HB2 2 8 LEU QD 6.450 . 6.450 2.650 2.074 3.455 . 0 0 "[ . 1 . 2]" 1
1393 1 71 LEU MD1 1 72 LYS H 5.900 . 5.900 4.683 4.611 4.714 . 0 0 "[ . 1 . 2]" 1
1394 1 71 LEU MD1 1 79 ILE MG 5.520 . 5.520 2.400 2.128 2.720 . 0 0 "[ . 1 . 2]" 1
1395 1 71 LEU MD2 1 72 LYS H 5.900 . 5.900 4.265 4.165 4.314 . 0 0 "[ . 1 . 2]" 1
1396 1 71 LEU MD2 1 79 ILE MG 5.520 . 5.520 2.526 2.318 2.725 . 0 0 "[ . 1 . 2]" 1
1397 1 71 LEU QD 1 77 LEU HA 7.540 . 7.540 5.472 5.030 5.579 . 0 0 "[ . 1 . 2]" 1
1398 1 71 LEU QD 1 77 LEU MD1 6.060 . 6.060 1.874 1.754 2.403 0.046 18 0 "[ . 1 . 2]" 1
1399 1 71 LEU QD 1 79 ILE HB 7.510 . 7.510 4.060 3.844 4.247 . 0 0 "[ . 1 . 2]" 1
1400 1 71 LEU QD 1 79 ILE MG 5.850 . 5.850 2.180 2.000 2.418 . 0 0 "[ . 1 . 2]" 1
1401 1 71 LEU H 1 71 LEU HB3 3.690 . 3.690 3.457 3.435 3.476 . 0 0 "[ . 1 . 2]" 1
1402 1 71 LEU H 1 71 LEU HB2 3.160 . 3.160 2.145 2.125 2.168 . 0 0 "[ . 1 . 2]" 1
1403 1 71 LEU H 1 71 LEU MD1 4.960 . 4.960 4.033 3.743 4.091 . 0 0 "[ . 1 . 2]" 1
1404 1 71 LEU H 1 71 LEU MD2 4.960 . 4.960 2.378 2.076 2.522 . 0 0 "[ . 1 . 2]" 1
1405 1 71 LEU H 1 71 LEU HG 4.420 . 4.420 4.010 3.923 4.146 . 0 0 "[ . 1 . 2]" 1
1406 1 72 LYS HA 1 72 LYS QD 4.310 . 4.310 2.146 2.054 2.380 . 0 0 "[ . 1 . 2]" 1
1407 1 72 LYS HA 1 72 LYS QE 5.030 . 5.030 4.044 3.647 4.344 . 0 0 "[ . 1 . 2]" 1
1408 1 72 LYS HA 1 72 LYS HG3 4.000 . 4.000 2.506 2.412 2.545 . 0 0 "[ . 1 . 2]" 1
1409 1 72 LYS HA 1 72 LYS HG2 3.670 . 3.670 3.611 3.591 3.628 . 0 0 "[ . 1 . 2]" 1
1410 1 72 LYS HB3 1 73 SER H 4.140 . 4.140 3.390 3.237 3.564 . 0 0 "[ . 1 . 2]" 1
1411 1 72 LYS HB2 1 73 SER H 4.140 . 4.140 3.091 3.000 3.152 . 0 0 "[ . 1 . 2]" 1
1412 1 72 LYS QB 1 73 SER H 4.480 . 4.480 2.865 2.789 2.950 . 0 0 "[ . 1 . 2]" 1
1413 1 72 LYS QD 1 73 SER H 5.500 . 5.500 4.411 4.321 4.499 . 0 0 "[ . 1 . 2]" 1
1414 1 72 LYS QE 2 6 THR MG 6.300 . 6.300 3.282 2.603 4.251 . 0 0 "[ . 1 . 2]" 1
1415 1 72 LYS QE 2 8 LEU HA 5.300 . 5.300 2.253 1.864 3.106 . 0 0 "[ . 1 . 2]" 1
1416 1 72 LYS QE 2 8 LEU MD1 5.970 . 5.970 3.935 3.194 4.316 . 0 0 "[ . 1 . 2]" 1
1417 1 72 LYS QE 2 8 LEU MD2 5.970 . 5.970 1.929 1.818 2.291 . 0 0 "[ . 1 . 2]" 1
1418 1 72 LYS QE 2 8 LEU QD 6.290 . 6.290 1.923 1.816 2.275 . 0 0 "[ . 1 . 2]" 1
1419 1 72 LYS HG2 1 73 SER H 5.500 . 5.500 5.301 5.231 5.369 . 0 0 "[ . 1 . 2]" 1
1420 1 72 LYS H 1 72 LYS HB3 3.510 . 3.510 3.417 3.371 3.455 . 0 0 "[ . 1 . 2]" 1
1421 1 72 LYS H 1 72 LYS HB2 3.510 . 3.510 2.146 2.124 2.168 . 0 0 "[ . 1 . 2]" 1
1422 1 72 LYS H 1 72 LYS QD 4.280 . 4.280 2.720 2.600 2.834 . 0 0 "[ . 1 . 2]" 1
1423 1 72 LYS H 1 72 LYS HG2 4.270 . 4.270 4.174 4.068 4.278 0.008 14 0 "[ . 1 . 2]" 1
1424 1 72 LYS H 1 73 SER H 3.060 . 3.060 2.365 2.347 2.403 . 0 0 "[ . 1 . 2]" 1
1425 1 72 LYS H 1 74 SER H 4.640 . 4.640 4.575 4.414 4.648 0.008 12 0 "[ . 1 . 2]" 1
1426 1 72 LYS H 1 77 LEU MD2 6.240 . 6.240 4.382 4.112 4.572 . 0 0 "[ . 1 . 2]" 1
1427 1 73 SER HB3 1 74 SER H 4.490 . 4.490 2.111 1.981 2.261 . 0 0 "[ . 1 . 2]" 1
1428 1 73 SER HB2 1 74 SER H 4.490 . 4.490 3.365 2.871 3.714 . 0 0 "[ . 1 . 2]" 1
1429 1 73 SER H 1 73 SER HB3 3.460 . 3.460 2.810 2.412 3.244 . 0 0 "[ . 1 . 2]" 1
1430 1 73 SER H 1 73 SER HB2 3.460 . 3.460 2.330 2.077 2.663 . 0 0 "[ . 1 . 2]" 1
1431 1 73 SER H 1 74 SER H 3.270 . 3.270 2.885 2.746 2.948 . 0 0 "[ . 1 . 2]" 1
1432 1 73 SER H 1 77 LEU MD2 5.320 . 5.320 4.242 3.804 4.442 . 0 0 "[ . 1 . 2]" 1
1433 1 74 SER HA 1 77 LEU MD2 5.500 . 5.500 3.996 3.706 4.293 . 0 0 "[ . 1 . 2]" 1
1434 1 74 SER HB3 1 77 LEU HA 5.500 . 5.500 4.187 3.806 4.904 . 0 0 "[ . 1 . 2]" 1
1435 1 74 SER HB3 1 77 LEU MD1 6.020 . 6.020 4.167 3.395 5.069 . 0 0 "[ . 1 . 2]" 1
1436 1 74 SER HB3 1 77 LEU MD2 4.610 . 4.610 2.477 1.895 3.399 . 0 0 "[ . 1 . 2]" 1
1437 1 74 SER HB3 1 77 LEU HG 5.350 . 5.350 2.628 1.990 3.686 . 0 0 "[ . 1 . 2]" 1
1438 1 74 SER HB2 1 77 LEU HA 5.500 . 5.500 5.078 4.073 5.510 0.010 9 0 "[ . 1 . 2]" 1
1439 1 74 SER HB2 1 77 LEU MD1 6.020 . 6.020 4.450 3.628 5.041 . 0 0 "[ . 1 . 2]" 1
1440 1 74 SER HB2 1 77 LEU MD2 4.610 . 4.610 2.078 1.844 3.234 . 0 0 "[ . 1 . 2]" 1
1441 1 74 SER HB2 1 77 LEU HG 5.350 . 5.350 3.322 1.987 4.041 . 0 0 "[ . 1 . 2]" 1
1442 1 74 SER QB 1 76 SER H 4.690 . 4.690 3.649 2.375 4.102 . 0 0 "[ . 1 . 2]" 1
1443 1 74 SER QB 1 77 LEU MD1 6.190 . 6.190 3.734 3.325 4.111 . 0 0 "[ . 1 . 2]" 1
1444 1 74 SER QB 1 77 LEU HG 5.590 . 5.590 2.353 1.958 2.939 . 0 0 "[ . 1 . 2]" 1
1445 1 74 SER H 1 74 SER HB3 3.580 . 3.580 3.346 2.497 3.561 . 0 0 "[ . 1 . 2]" 1
1446 1 74 SER H 1 74 SER HB2 3.580 . 3.580 2.364 2.109 3.270 . 0 0 "[ . 1 . 2]" 1
1447 1 74 SER H 1 77 LEU HB3 5.500 . 5.500 5.278 4.897 5.506 0.006 13 0 "[ . 1 . 2]" 1
1448 1 74 SER H 1 77 LEU MD2 4.760 . 4.760 2.795 2.458 3.255 . 0 0 "[ . 1 . 2]" 1
1449 1 74 SER H 1 77 LEU HG 5.090 . 5.090 4.601 3.971 5.080 . 0 0 "[ . 1 . 2]" 1
1450 1 75 ARG HB3 1 76 SER H 4.460 . 4.460 3.149 1.965 4.472 0.012 16 0 "[ . 1 . 2]" 1
1451 1 75 ARG HB2 1 76 SER H 4.460 . 4.460 2.815 2.192 4.015 . 0 0 "[ . 1 . 2]" 1
1452 1 75 ARG QB 1 76 SER H 4.790 . 4.790 2.521 1.941 3.743 . 0 0 "[ . 1 . 2]" 1
1453 1 76 SER HA 1 77 LEU MD1 5.110 . 5.110 3.583 3.009 3.992 . 0 0 "[ . 1 . 2]" 1
1454 1 76 SER HA 1 77 LEU H 3.020 . 3.020 2.262 2.165 2.418 . 0 0 "[ . 1 . 2]" 1
1455 1 76 SER QB 1 77 LEU H 5.030 . 5.030 3.864 3.534 4.052 . 0 0 "[ . 1 . 2]" 1
1456 1 76 SER H 1 76 SER HB3 3.830 . 3.830 3.005 2.399 3.712 . 0 0 "[ . 1 . 2]" 1
1457 1 76 SER H 1 76 SER HB2 3.830 . 3.830 3.071 2.284 3.770 . 0 0 "[ . 1 . 2]" 1
1458 1 76 SER H 1 77 LEU MD2 6.120 . 6.120 4.870 3.868 5.048 . 0 0 "[ . 1 . 2]" 1
1459 1 76 SER H 1 77 LEU HG 4.690 . 4.690 3.794 2.500 4.136 . 0 0 "[ . 1 . 2]" 1
1460 1 76 SER H 1 77 LEU H 4.580 . 4.580 3.932 2.815 4.162 . 0 0 "[ . 1 . 2]" 1
1461 1 77 LEU HA 1 77 LEU HG 4.190 . 4.190 3.403 2.957 3.526 . 0 0 "[ . 1 . 2]" 1
1462 1 77 LEU HA 1 78 THR H 3.090 . 3.090 2.218 2.173 2.242 . 0 0 "[ . 1 . 2]" 1
1463 1 77 LEU HA 1 79 ILE MG 6.380 . 6.380 5.094 4.934 5.200 . 0 0 "[ . 1 . 2]" 1
1464 1 77 LEU HB3 1 78 THR H 4.740 . 4.740 3.491 3.016 3.686 . 0 0 "[ . 1 . 2]" 1
1465 1 77 LEU HB3 1 79 ILE MG 5.690 . 5.690 4.562 4.074 4.715 . 0 0 "[ . 1 . 2]" 1
1466 1 77 LEU HB2 1 78 THR H 4.380 . 4.380 3.118 2.951 3.456 . 0 0 "[ . 1 . 2]" 1
1467 1 77 LEU HB2 1 79 ILE MD 6.380 . 6.380 5.111 4.538 5.221 . 0 0 "[ . 1 . 2]" 1
1468 1 77 LEU MD1 1 79 ILE MG 6.310 . 6.310 2.645 2.082 3.809 . 0 0 "[ . 1 . 2]" 1
1469 1 77 LEU HG 1 78 THR H 5.280 . 5.280 5.150 4.892 5.209 . 0 0 "[ . 1 . 2]" 1
1470 1 77 LEU H 1 77 LEU HB3 3.840 . 3.840 3.610 3.430 3.815 . 0 0 "[ . 1 . 2]" 1
1471 1 77 LEU H 1 77 LEU MD1 4.910 . 4.910 1.959 1.893 2.094 . 0 0 "[ . 1 . 2]" 1
1472 1 77 LEU H 1 77 LEU HG 3.900 . 3.900 2.387 1.998 2.984 . 0 0 "[ . 1 . 2]" 1
1473 1 78 THR HA 1 79 ILE MD 6.400 . 6.400 4.811 2.930 5.081 . 0 0 "[ . 1 . 2]" 1
1474 1 78 THR HA 1 79 ILE MG 6.520 . 6.520 4.007 3.616 4.170 . 0 0 "[ . 1 . 2]" 1
1475 1 78 THR HA 1 79 ILE H 3.100 . 3.100 2.149 2.139 2.184 . 0 0 "[ . 1 . 2]" 1
1476 1 78 THR HB 1 79 ILE H 5.050 . 5.050 4.197 4.012 4.298 . 0 0 "[ . 1 . 2]" 1
1477 1 78 THR MG 1 79 ILE H 4.870 . 4.870 2.875 2.379 3.070 . 0 0 "[ . 1 . 2]" 1
1478 1 78 THR MG 1 80 SER HA 6.520 . 6.520 4.579 4.403 4.932 . 0 0 "[ . 1 . 2]" 1
1479 1 78 THR H 1 78 THR HB 3.380 . 3.380 2.620 2.509 2.883 . 0 0 "[ . 1 . 2]" 1
1480 1 79 ILE HA 1 80 SER H 3.180 . 3.180 2.147 2.132 2.190 . 0 0 "[ . 1 . 2]" 1
1481 1 79 ILE HB 1 80 SER HA 5.500 . 5.500 4.688 4.577 4.821 . 0 0 "[ . 1 . 2]" 1
1482 1 79 ILE HB 1 80 SER H 4.250 . 4.250 3.225 2.934 3.390 . 0 0 "[ . 1 . 2]" 1
1483 1 79 ILE MG 1 80 SER H 5.170 . 5.170 3.845 3.716 4.011 . 0 0 "[ . 1 . 2]" 1
1484 1 79 ILE H 1 79 ILE HB 3.900 . 3.900 3.720 3.677 3.836 . 0 0 "[ . 1 . 2]" 1
1485 1 79 ILE H 1 79 ILE MD 5.380 . 5.380 3.466 1.858 3.676 . 0 0 "[ . 1 . 2]" 1
1486 1 79 ILE H 1 79 ILE HG13 4.510 . 4.510 2.980 2.732 3.951 . 0 0 "[ . 1 . 2]" 1
1487 1 79 ILE H 1 79 ILE HG12 4.510 . 4.510 2.049 1.862 3.073 . 0 0 "[ . 1 . 2]" 1
1488 1 79 ILE H 1 79 ILE QG 4.700 . 4.700 2.013 1.837 2.972 . 0 0 "[ . 1 . 2]" 1
1489 1 79 ILE H 1 80 SER HA 5.220 . 5.220 4.970 4.886 5.035 . 0 0 "[ . 1 . 2]" 1
1490 1 79 ILE H 1 80 SER H 5.290 . 5.290 4.400 4.331 4.447 . 0 0 "[ . 1 . 2]" 1
1491 1 80 SER HA 1 81 ILE HB 5.440 . 5.440 4.724 4.625 4.900 . 0 0 "[ . 1 . 2]" 1
1492 1 80 SER HA 1 81 ILE H 3.060 . 3.060 2.152 2.136 2.172 . 0 0 "[ . 1 . 2]" 1
1493 1 80 SER HB3 1 81 ILE H 4.630 . 4.630 3.951 3.599 4.220 . 0 0 "[ . 1 . 2]" 1
1494 1 80 SER HB2 1 81 ILE H 4.630 . 4.630 4.429 3.870 4.616 . 0 0 "[ . 1 . 2]" 1
1495 1 80 SER QB 1 81 ILE HA 5.890 . 5.890 4.324 4.126 4.469 . 0 0 "[ . 1 . 2]" 1
1496 1 80 SER QB 1 81 ILE H 4.870 . 4.870 3.687 3.312 3.880 . 0 0 "[ . 1 . 2]" 1
1497 1 80 SER H 1 80 SER HB3 3.930 . 3.930 3.199 2.698 3.717 . 0 0 "[ . 1 . 2]" 1
1498 1 80 SER H 1 80 SER HB2 3.930 . 3.930 2.559 2.255 3.031 . 0 0 "[ . 1 . 2]" 1
1499 1 80 SER H 1 81 ILE H 5.150 . 5.150 4.290 4.155 4.427 . 0 0 "[ . 1 . 2]" 1
1500 1 81 ILE HA 1 81 ILE MD 4.770 . 4.770 3.434 3.364 3.499 . 0 0 "[ . 1 . 2]" 1
1501 1 81 ILE HA 1 82 VAL HB 5.140 . 5.140 4.708 4.649 4.798 . 0 0 "[ . 1 . 2]" 1
1502 1 81 ILE HA 1 82 VAL MG1 6.520 . 6.520 5.029 3.388 5.445 . 0 0 "[ . 1 . 2]" 1
1503 1 81 ILE HA 1 82 VAL MG2 6.520 . 6.520 3.800 3.234 5.430 . 0 0 "[ . 1 . 2]" 1
1504 1 81 ILE HA 1 82 VAL QG 6.300 . 6.300 3.365 3.210 3.500 . 0 0 "[ . 1 . 2]" 1
1505 1 81 ILE HA 1 82 VAL H 3.160 . 3.160 2.255 2.216 2.297 . 0 0 "[ . 1 . 2]" 1
1506 1 81 ILE HA 1 85 ALA MB 6.170 . 6.170 5.024 4.897 5.110 . 0 0 "[ . 1 . 2]" 1
1507 1 81 ILE HB 1 82 VAL H 4.060 . 4.060 3.924 3.847 3.985 . 0 0 "[ . 1 . 2]" 1
1508 1 81 ILE MD 1 82 VAL H 5.320 . 5.320 2.660 2.410 2.938 . 0 0 "[ . 1 . 2]" 1
1509 1 81 ILE MD 1 83 ALA HA 4.990 . 4.990 2.623 2.401 2.795 . 0 0 "[ . 1 . 2]" 1
1510 1 81 ILE MD 1 83 ALA MB 5.790 . 5.790 3.324 3.114 3.516 . 0 0 "[ . 1 . 2]" 1
1511 1 81 ILE MD 1 83 ALA H 5.090 . 5.090 2.959 2.684 3.345 . 0 0 "[ . 1 . 2]" 1
1512 1 81 ILE MD 1 84 ALA H 6.020 . 6.020 4.083 3.936 4.246 . 0 0 "[ . 1 . 2]" 1
1513 1 81 ILE QG 1 82 VAL H 5.940 . 5.940 2.013 1.909 2.174 . 0 0 "[ . 1 . 2]" 1
1514 1 81 ILE MG 1 82 VAL HA 6.040 . 6.040 4.026 3.866 4.280 . 0 0 "[ . 1 . 2]" 1
1515 1 81 ILE MG 1 83 ALA H 6.110 . 6.110 4.520 4.249 4.888 . 0 0 "[ . 1 . 2]" 1
1516 1 81 ILE H 1 81 ILE HB 3.650 . 3.650 3.081 2.950 3.251 . 0 0 "[ . 1 . 2]" 1
1517 1 81 ILE H 1 81 ILE MD 4.960 . 4.960 3.963 3.764 4.037 . 0 0 "[ . 1 . 2]" 1
1518 1 81 ILE H 1 81 ILE QG 5.110 . 5.110 4.181 4.137 4.225 . 0 0 "[ . 1 . 2]" 1
1519 1 81 ILE H 1 82 VAL H 4.980 . 4.980 4.493 4.422 4.545 . 0 0 "[ . 1 . 2]" 1
1520 1 82 VAL HA 1 83 ALA MB 5.910 . 5.910 3.953 3.919 3.993 . 0 0 "[ . 1 . 2]" 1
1521 1 82 VAL HA 1 83 ALA H 2.940 . 2.940 2.141 2.127 2.175 . 0 0 "[ . 1 . 2]" 1
1522 1 82 VAL HA 1 85 ALA MB 5.690 . 5.690 4.310 4.208 4.434 . 0 0 "[ . 1 . 2]" 1
1523 1 82 VAL HB 1 83 ALA H 4.400 . 4.400 4.175 3.931 4.316 . 0 0 "[ . 1 . 2]" 1
1524 1 82 VAL HB 1 85 ALA MB 4.780 . 4.780 2.450 1.998 3.795 . 0 0 "[ . 1 . 2]" 1
1525 1 82 VAL HB 1 85 ALA H 5.230 . 5.230 4.083 3.508 5.276 0.046 18 0 "[ . 1 . 2]" 1
1526 1 82 VAL MG1 1 83 ALA H 5.320 . 5.320 3.065 2.277 4.287 . 0 0 "[ . 1 . 2]" 1
1527 1 82 VAL MG1 1 85 ALA MB 5.600 . 5.600 2.501 1.644 2.919 0.156 3 0 "[ . 1 . 2]" 1
1528 1 82 VAL MG2 1 83 ALA H 5.320 . 5.320 3.858 2.464 4.237 . 0 0 "[ . 1 . 2]" 1
1529 1 82 VAL MG2 1 85 ALA MB 5.600 . 5.600 3.138 1.956 3.510 . 0 0 "[ . 1 . 2]" 1
1530 1 82 VAL QG 1 83 ALA MB 7.260 . 7.260 3.628 3.469 3.813 . 0 0 "[ . 1 . 2]" 1
1531 1 82 VAL QG 1 83 ALA H 5.410 . 5.410 2.705 2.265 2.999 . 0 0 "[ . 1 . 2]" 1
1532 1 82 VAL QG 1 85 ALA HA 6.220 . 6.220 3.971 3.200 4.338 . 0 0 "[ . 1 . 2]" 1
1533 1 82 VAL QG 1 85 ALA MB 5.820 . 5.820 2.406 1.570 2.778 0.230 18 0 "[ . 1 . 2]" 1
1534 1 82 VAL QG 1 85 ALA H 5.830 . 5.830 3.169 2.399 3.652 . 0 0 "[ . 1 . 2]" 1
1535 1 82 VAL H 1 82 VAL HB 3.690 . 3.690 2.830 2.643 3.381 . 0 0 "[ . 1 . 2]" 1
1536 1 83 ALA HA 1 84 ALA MB 5.250 . 5.250 4.104 4.068 4.135 . 0 0 "[ . 1 . 2]" 1
1537 1 83 ALA HA 1 84 ALA H 3.290 . 3.290 2.171 2.136 2.215 . 0 0 "[ . 1 . 2]" 1
1538 1 83 ALA MB 1 84 ALA HA 5.780 . 5.780 4.324 4.227 4.442 . 0 0 "[ . 1 . 2]" 1
1539 1 83 ALA MB 1 84 ALA MB 5.240 . 5.240 3.152 3.084 3.266 . 0 0 "[ . 1 . 2]" 1
1540 1 83 ALA MB 1 84 ALA H 4.900 . 4.900 2.960 2.794 3.060 . 0 0 "[ . 1 . 2]" 1
1541 1 83 ALA MB 1 85 ALA H 5.470 . 5.470 4.255 4.210 4.313 . 0 0 "[ . 1 . 2]" 1
1542 1 83 ALA H 1 84 ALA H 4.730 . 4.730 4.584 4.545 4.617 . 0 0 "[ . 1 . 2]" 1
1543 1 83 ALA H 1 85 ALA MB 5.780 . 5.780 4.659 4.531 4.706 . 0 0 "[ . 1 . 2]" 1
1544 1 83 ALA H 1 85 ALA H 5.030 . 5.030 4.456 4.331 4.511 . 0 0 "[ . 1 . 2]" 1
1545 1 84 ALA HA 1 86 GLY H 4.690 . 4.690 3.458 3.399 3.541 . 0 0 "[ . 1 . 2]" 1
1546 1 84 ALA HA 1 87 ARG HB3 4.360 . 4.360 3.109 2.211 3.743 . 0 0 "[ . 1 . 2]" 1
1547 1 84 ALA HA 1 87 ARG HB2 4.360 . 4.360 2.701 1.946 3.776 . 0 0 "[ . 1 . 2]" 1
1548 1 84 ALA HA 1 87 ARG QD 5.200 . 5.200 2.311 1.921 2.956 . 0 0 "[ . 1 . 2]" 1
1549 1 84 ALA HA 1 87 ARG QG 5.110 . 5.110 2.354 1.854 2.826 . 0 0 "[ . 1 . 2]" 1
1550 1 84 ALA HA 1 87 ARG H 4.390 . 4.390 2.751 2.682 2.845 . 0 0 "[ . 1 . 2]" 1
1551 1 84 ALA MB 1 85 ALA HA 5.220 . 5.220 3.877 3.820 3.929 . 0 0 "[ . 1 . 2]" 1
1552 1 84 ALA MB 1 85 ALA MB 6.490 . 6.490 4.164 4.083 4.228 . 0 0 "[ . 1 . 2]" 1
1553 1 84 ALA MB 1 85 ALA H 5.010 . 5.010 3.061 2.984 3.111 . 0 0 "[ . 1 . 2]" 1
1554 1 84 ALA MB 1 87 ARG HB3 5.590 . 5.590 4.217 3.757 4.568 . 0 0 "[ . 1 . 2]" 1
1555 1 84 ALA MB 1 87 ARG HB2 5.590 . 5.590 3.759 3.054 4.599 . 0 0 "[ . 1 . 2]" 1
1556 1 84 ALA MB 1 87 ARG QB 5.640 . 5.640 3.338 2.993 3.617 . 0 0 "[ . 1 . 2]" 1
1557 1 84 ALA MB 1 87 ARG QD 4.930 . 4.930 2.633 1.870 3.467 . 0 0 "[ . 1 . 2]" 1
1558 1 84 ALA MB 1 87 ARG QG 5.700 . 5.700 3.371 2.237 4.187 . 0 0 "[ . 1 . 2]" 1
1559 1 84 ALA MB 1 87 ARG H 5.450 . 5.450 4.167 4.078 4.239 . 0 0 "[ . 1 . 2]" 1
1560 1 84 ALA H 1 85 ALA H 3.210 . 3.210 2.852 2.816 2.910 . 0 0 "[ . 1 . 2]" 1
1561 1 85 ALA MB 1 86 GLY H 4.730 . 4.730 2.966 2.896 3.008 . 0 0 "[ . 1 . 2]" 1
1562 1 85 ALA MB 1 87 ARG H 5.640 . 5.640 4.612 4.494 4.653 . 0 0 "[ . 1 . 2]" 1
1563 1 85 ALA H 1 86 GLY HA3 5.240 . 5.240 5.035 4.974 5.090 . 0 0 "[ . 1 . 2]" 1
1564 1 85 ALA H 1 86 GLY H 3.210 . 3.210 2.688 2.649 2.734 . 0 0 "[ . 1 . 2]" 1
1565 1 85 ALA H 1 87 ARG H 4.500 . 4.500 4.050 3.942 4.111 . 0 0 "[ . 1 . 2]" 1
1566 1 86 GLY HA3 1 89 LEU QD 6.440 . 6.440 4.283 4.102 4.540 . 0 0 "[ . 1 . 2]" 1
1567 1 86 GLY HA3 1 89 LEU HG 5.500 . 5.500 5.276 4.857 5.533 0.033 11 0 "[ . 1 . 2]" 1
1568 1 86 GLY HA2 1 89 LEU MD1 6.410 . 6.410 3.681 2.801 5.304 . 0 0 "[ . 1 . 2]" 1
1569 1 86 GLY HA2 1 89 LEU MD2 6.410 . 6.410 4.424 2.687 5.127 . 0 0 "[ . 1 . 2]" 1
1570 1 86 GLY HA2 1 89 LEU QD 6.180 . 6.180 3.031 2.678 3.406 . 0 0 "[ . 1 . 2]" 1
1571 1 86 GLY HA2 1 89 LEU HG 5.000 . 5.000 3.748 3.299 4.245 . 0 0 "[ . 1 . 2]" 1
1572 1 86 GLY H 1 87 ARG HA 5.320 . 5.320 4.654 4.589 4.702 . 0 0 "[ . 1 . 2]" 1
1573 1 86 GLY H 1 87 ARG QD 6.380 . 6.380 4.957 4.339 5.716 . 0 0 "[ . 1 . 2]" 1
1574 1 86 GLY H 1 87 ARG H 3.340 . 3.340 1.990 1.910 2.040 . 0 0 "[ . 1 . 2]" 1
1575 1 87 ARG HA 1 87 ARG HG3 4.230 . 4.230 3.257 2.878 3.630 . 0 0 "[ . 1 . 2]" 1
1576 1 87 ARG HA 1 87 ARG HG2 4.230 . 4.230 3.079 2.319 3.894 . 0 0 "[ . 1 . 2]" 1
1577 1 87 ARG H 1 87 ARG HB3 3.660 . 3.660 3.036 2.178 3.592 . 0 0 "[ . 1 . 2]" 1
1578 1 87 ARG H 1 87 ARG HB2 3.660 . 3.660 2.905 2.354 3.538 . 0 0 "[ . 1 . 2]" 1
1579 1 87 ARG H 1 87 ARG QB 3.740 . 3.740 2.351 2.157 2.681 . 0 0 "[ . 1 . 2]" 1
1580 1 87 ARG H 1 87 ARG QD 5.390 . 5.390 3.841 3.401 4.457 . 0 0 "[ . 1 . 2]" 1
1581 1 87 ARG H 1 87 ARG QG 4.110 . 4.110 2.393 1.884 2.836 . 0 0 "[ . 1 . 2]" 1
1582 1 87 ARG H 1 88 GLU H 3.800 . 3.800 2.768 2.748 2.804 . 0 0 "[ . 1 . 2]" 1
1583 1 87 ARG H 1 89 LEU QD 7.540 . 7.540 5.348 4.704 5.631 . 0 0 "[ . 1 . 2]" 1
1584 1 87 ARG H 1 89 LEU H 4.670 . 4.670 4.552 4.298 4.651 . 0 0 "[ . 1 . 2]" 1
1585 1 88 GLU HA 1 88 GLU HG3 4.030 . 4.030 2.850 2.298 3.971 . 0 0 "[ . 1 . 2]" 1
1586 1 88 GLU HA 1 88 GLU HG2 4.030 . 4.030 3.326 2.269 3.751 . 0 0 "[ . 1 . 2]" 1
1587 1 88 GLU HA 1 90 PHE H 5.180 . 5.180 4.784 4.487 5.184 0.004 19 0 "[ . 1 . 2]" 1
1588 1 88 GLU HA 1 91 MET QB 5.420 . 5.420 3.613 2.900 4.891 . 0 0 "[ . 1 . 2]" 1
1589 1 88 GLU HA 1 91 MET HG3 4.670 . 4.670 3.352 2.601 4.674 0.004 4 0 "[ . 1 . 2]" 1
1590 1 88 GLU HA 1 91 MET HG2 4.670 . 4.670 3.728 2.346 4.668 . 0 0 "[ . 1 . 2]" 1
1591 1 88 GLU HA 1 91 MET QG 4.910 . 4.910 3.018 2.322 4.161 . 0 0 "[ . 1 . 2]" 1
1592 1 88 GLU HA 1 91 MET H 4.320 . 4.320 3.937 3.764 4.335 0.015 2 0 "[ . 1 . 2]" 1
1593 1 88 GLU QB 1 89 LEU H 4.940 . 4.940 2.558 2.348 3.344 . 0 0 "[ . 1 . 2]" 1
1594 1 88 GLU QB 1 90 PHE H 6.350 . 6.350 4.768 4.541 5.299 . 0 0 "[ . 1 . 2]" 1
1595 1 88 GLU QG 1 89 LEU HA 5.730 . 5.730 4.159 3.434 5.118 . 0 0 "[ . 1 . 2]" 1
1596 1 88 GLU QG 1 89 LEU QD 6.860 . 6.860 3.385 2.400 4.317 . 0 0 "[ . 1 . 2]" 1
1597 1 88 GLU QG 1 89 LEU H 5.270 . 5.270 3.631 1.925 4.317 . 0 0 "[ . 1 . 2]" 1
1598 1 88 GLU H 1 88 GLU HG3 4.870 . 4.870 4.258 3.268 4.526 . 0 0 "[ . 1 . 2]" 1
1599 1 88 GLU H 1 88 GLU HG2 4.870 . 4.870 4.145 1.981 4.655 . 0 0 "[ . 1 . 2]" 1
1600 1 88 GLU H 1 88 GLU QG 5.060 . 5.060 3.676 1.969 4.055 . 0 0 "[ . 1 . 2]" 1
1601 1 88 GLU H 1 89 LEU H 4.010 . 4.010 2.863 2.715 2.935 . 0 0 "[ . 1 . 2]" 1
1602 1 89 LEU HA 1 91 MET H 5.170 . 5.170 4.156 3.769 5.152 . 0 0 "[ . 1 . 2]" 1
1603 1 89 LEU HB3 1 90 PHE H 4.430 . 4.430 3.591 3.007 3.856 . 0 0 "[ . 1 . 2]" 1
1604 1 89 LEU HB2 1 90 PHE H 4.430 . 4.430 2.481 2.156 2.707 . 0 0 "[ . 1 . 2]" 1
1605 1 89 LEU QB 1 90 PHE HA 5.900 . 5.900 3.781 3.699 3.836 . 0 0 "[ . 1 . 2]" 1
1606 1 89 LEU QB 1 90 PHE H 4.590 . 4.590 2.435 2.136 2.656 . 0 0 "[ . 1 . 2]" 1
1607 1 89 LEU QD 1 90 PHE H 7.340 . 7.340 3.854 3.633 3.999 . 0 0 "[ . 1 . 2]" 1
1608 1 89 LEU HG 1 90 PHE H 5.070 . 5.070 4.189 3.770 4.864 . 0 0 "[ . 1 . 2]" 1
1609 1 89 LEU H 1 89 LEU HB3 3.680 . 3.680 3.582 3.502 3.601 . 0 0 "[ . 1 . 2]" 1
1610 1 89 LEU H 1 89 LEU HB2 3.680 . 3.680 2.557 2.204 2.707 . 0 0 "[ . 1 . 2]" 1
1611 1 89 LEU H 1 89 LEU MD1 4.990 . 4.990 3.529 3.286 3.855 . 0 0 "[ . 1 . 2]" 1
1612 1 89 LEU H 1 89 LEU MD2 4.990 . 4.990 2.900 1.888 3.464 . 0 0 "[ . 1 . 2]" 1
1613 1 89 LEU H 1 89 LEU HG 4.090 . 4.090 2.467 1.964 3.984 . 0 0 "[ . 1 . 2]" 1
1614 1 89 LEU H 1 90 PHE H 3.430 . 3.430 2.600 2.515 2.734 . 0 0 "[ . 1 . 2]" 1
1615 1 90 PHE HB3 1 91 MET H 4.670 . 4.670 3.234 2.582 3.587 . 0 0 "[ . 1 . 2]" 1
1616 1 90 PHE HB2 1 91 MET H 4.670 . 4.670 3.090 2.488 3.505 . 0 0 "[ . 1 . 2]" 1
1617 1 90 PHE QB 1 91 MET H 4.960 . 4.960 2.790 2.269 3.065 . 0 0 "[ . 1 . 2]" 1
1618 1 90 PHE H 1 90 PHE HB3 3.940 . 3.940 3.428 3.175 3.546 . 0 0 "[ . 1 . 2]" 1
1619 1 90 PHE H 1 90 PHE HB2 3.940 . 3.940 2.147 2.064 2.282 . 0 0 "[ . 1 . 2]" 1
1620 1 90 PHE H 1 91 MET QB 6.220 . 6.220 4.834 4.421 5.324 . 0 0 "[ . 1 . 2]" 1
1621 1 90 PHE H 1 91 MET H 3.310 . 3.310 2.818 2.695 3.010 . 0 0 "[ . 1 . 2]" 1
1622 1 91 MET HA 1 91 MET ME 5.370 . 5.370 3.347 1.883 4.316 . 0 0 "[ . 1 . 2]" 1
1623 1 91 MET HA 1 91 MET HG3 4.030 . 4.030 3.618 2.886 3.853 . 0 0 "[ . 1 . 2]" 1
1624 1 91 MET HA 1 91 MET HG2 4.030 . 4.030 2.969 2.063 4.038 0.008 2 0 "[ . 1 . 2]" 1
1625 1 91 MET H 1 92 THR H 5.150 . 5.150 4.065 2.608 4.644 . 0 0 "[ . 1 . 2]" 1
1626 1 91 MET H 1 91 MET HB3 3.700 . 3.700 3.348 2.504 3.603 . 0 0 "[ . 1 . 2]" 1
1627 1 91 MET H 1 91 MET HB2 3.700 . 3.700 2.651 2.119 3.638 . 0 0 "[ . 1 . 2]" 1
1628 1 91 MET H 1 91 MET HG3 3.950 . 3.950 3.303 2.028 3.899 . 0 0 "[ . 1 . 2]" 1
1629 1 91 MET H 1 91 MET HG2 3.950 . 3.950 2.626 1.994 3.697 . 0 0 "[ . 1 . 2]" 1
1630 1 91 MET H 1 91 MET QG 4.290 . 4.290 2.437 1.958 3.053 . 0 0 "[ . 1 . 2]" 1
1631 2 1 THR HA 2 2 PRO HD3 3.150 . 3.150 2.240 1.922 2.527 . 0 0 "[ . 1 . 2]" 1
1632 2 1 THR HA 2 2 PRO HD2 3.150 . 3.150 2.530 2.364 2.919 . 0 0 "[ . 1 . 2]" 1
1633 2 1 THR HA 2 2 PRO HG3 4.610 . 4.610 4.405 4.011 4.617 0.007 3 0 "[ . 1 . 2]" 1
1634 2 1 THR HA 2 2 PRO HG2 4.610 . 4.610 4.543 4.493 4.614 0.004 3 0 "[ . 1 . 2]" 1
1635 2 1 THR HB 2 2 PRO HD3 4.100 . 4.100 3.557 3.197 3.879 . 0 0 "[ . 1 . 2]" 1
1636 2 1 THR HB 2 2 PRO HD2 4.100 . 4.100 2.318 1.964 2.556 . 0 0 "[ . 1 . 2]" 1
1637 2 1 THR HB 2 2 PRO QD 4.360 . 4.360 2.285 1.955 2.522 . 0 0 "[ . 1 . 2]" 1
1638 2 1 THR HB 2 2 PRO HG3 5.100 . 5.100 4.946 4.485 5.111 0.011 18 0 "[ . 1 . 2]" 1
1639 2 1 THR HB 2 2 PRO HG2 5.100 . 5.100 4.164 3.492 4.834 . 0 0 "[ . 1 . 2]" 1
1640 2 1 THR MG 2 2 PRO HD3 4.870 . 4.870 3.616 3.026 3.997 . 0 0 "[ . 1 . 2]" 1
1641 2 1 THR MG 2 2 PRO HD2 4.870 . 4.870 3.000 2.206 3.666 . 0 0 "[ . 1 . 2]" 1
1642 2 1 THR MG 2 2 PRO QD 5.160 . 5.160 2.838 2.155 3.318 . 0 0 "[ . 1 . 2]" 1
1643 2 2 PRO HA 2 3 LEU HB2 5.330 . 5.330 4.865 4.641 5.252 . 0 0 "[ . 1 . 2]" 1
1644 2 2 PRO HA 2 3 LEU MD1 5.780 . 5.780 4.533 4.257 4.801 . 0 0 "[ . 1 . 2]" 1
1645 2 2 PRO HA 2 3 LEU MD2 6.070 . 6.070 4.546 4.131 5.034 . 0 0 "[ . 1 . 2]" 1
1646 2 2 PRO HA 2 3 LEU HG 4.550 . 4.550 3.459 3.136 3.869 . 0 0 "[ . 1 . 2]" 1
1647 2 2 PRO HA 2 3 LEU H 2.680 . 2.680 2.383 2.191 2.673 . 0 0 "[ . 1 . 2]" 1
1648 2 2 PRO QB 2 3 LEU H 4.420 . 4.420 2.657 1.974 3.670 . 0 0 "[ . 1 . 2]" 1
1649 2 2 PRO QG 2 3 LEU H 5.410 . 5.410 4.252 3.638 4.852 . 0 0 "[ . 1 . 2]" 1
1650 2 3 LEU HA 2 3 LEU MD2 3.970 . 3.970 2.462 2.126 2.756 . 0 0 "[ . 1 . 2]" 1
1651 2 3 LEU HA 2 3 LEU HG 3.830 . 3.830 2.989 2.834 3.200 . 0 0 "[ . 1 . 2]" 1
1652 2 3 LEU HA 2 4 GLU H 2.830 . 2.830 2.323 2.151 2.587 . 0 0 "[ . 1 . 2]" 1
1653 2 3 LEU HB3 2 4 GLU H 3.480 . 3.480 2.714 2.163 3.287 . 0 0 "[ . 1 . 2]" 1
1654 2 3 LEU MD1 2 4 GLU H 6.220 . 6.220 4.830 4.374 5.184 . 0 0 "[ . 1 . 2]" 1
1655 2 3 LEU MD2 2 4 GLU H 4.910 . 4.910 3.704 3.356 3.962 . 0 0 "[ . 1 . 2]" 1
1656 2 3 LEU H 2 3 LEU HB2 2.880 . 2.880 2.700 2.529 2.891 0.011 18 0 "[ . 1 . 2]" 1
1657 2 3 LEU H 2 3 LEU MD1 4.900 . 4.900 3.425 2.845 3.885 . 0 0 "[ . 1 . 2]" 1
1658 2 3 LEU H 2 3 LEU MD2 5.050 . 5.050 3.762 3.382 4.137 . 0 0 "[ . 1 . 2]" 1
1659 2 3 LEU H 2 3 LEU HG 2.880 . 2.880 2.453 1.995 2.882 0.002 17 0 "[ . 1 . 2]" 1
1660 2 3 LEU H 2 4 GLU H 4.670 . 4.670 4.507 4.351 4.632 . 0 0 "[ . 1 . 2]" 1
1661 2 4 GLU HA 2 4 GLU HG3 3.920 . 3.920 3.453 3.037 3.781 . 0 0 "[ . 1 . 2]" 1
1662 2 4 GLU HA 2 4 GLU HG2 3.920 . 3.920 2.483 2.048 3.158 . 0 0 "[ . 1 . 2]" 1
1663 2 4 GLU HA 2 5 ILE MD 5.910 . 5.910 4.637 3.873 4.866 . 0 0 "[ . 1 . 2]" 1
1664 2 4 GLU HA 2 5 ILE H 3.290 . 3.290 2.301 2.156 2.461 . 0 0 "[ . 1 . 2]" 1
1665 2 4 GLU H 2 4 GLU HB3 3.650 . 3.650 3.585 3.415 3.652 0.002 17 0 "[ . 1 . 2]" 1
1666 2 4 GLU H 2 4 GLU HB2 3.650 . 3.650 2.445 2.106 2.669 . 0 0 "[ . 1 . 2]" 1
1667 2 4 GLU H 2 4 GLU HG3 3.800 . 3.800 2.857 1.997 3.801 0.001 18 0 "[ . 1 . 2]" 1
1668 2 4 GLU H 2 4 GLU HG2 3.800 . 3.800 3.032 2.199 3.662 . 0 0 "[ . 1 . 2]" 1
1669 2 4 GLU H 2 4 GLU QG 4.190 . 4.190 2.480 1.981 3.128 . 0 0 "[ . 1 . 2]" 1
1670 2 4 GLU H 2 5 ILE H 5.130 . 5.130 4.594 4.362 4.644 . 0 0 "[ . 1 . 2]" 1
1671 2 5 ILE HB 2 6 THR HA 5.500 . 5.500 4.566 4.401 4.711 . 0 0 "[ . 1 . 2]" 1
1672 2 5 ILE MG 2 6 THR HA 5.180 . 5.180 3.717 3.413 3.963 . 0 0 "[ . 1 . 2]" 1
1673 2 5 ILE MG 2 7 GLU QG 5.840 . 5.840 3.717 3.275 4.221 . 0 0 "[ . 1 . 2]" 1
1674 2 5 ILE MG 2 7 GLU H 6.130 . 6.130 4.575 4.117 4.916 . 0 0 "[ . 1 . 2]" 1
1675 2 5 ILE H 2 5 ILE HB 4.020 . 4.020 2.893 2.629 3.030 . 0 0 "[ . 1 . 2]" 1
1676 2 5 ILE H 2 5 ILE QG 4.920 . 4.920 2.752 2.336 2.905 . 0 0 "[ . 1 . 2]" 1
1677 2 6 THR HA 2 7 GLU QG 5.840 . 5.840 4.110 3.484 4.848 . 0 0 "[ . 1 . 2]" 1
1678 2 6 THR HA 2 7 GLU H 3.010 . 3.010 2.228 2.143 2.285 . 0 0 "[ . 1 . 2]" 1
1679 2 6 THR HB 2 7 GLU H 4.620 . 4.620 3.948 3.764 4.232 . 0 0 "[ . 1 . 2]" 1
1680 2 6 THR HB 2 8 LEU MD1 5.810 . 5.810 4.090 3.642 4.530 . 0 0 "[ . 1 . 2]" 1
1681 2 6 THR HB 2 8 LEU MD2 5.810 . 5.810 4.015 3.093 4.666 . 0 0 "[ . 1 . 2]" 1
1682 2 6 THR HB 2 8 LEU QD 5.710 . 5.710 3.531 3.022 3.913 . 0 0 "[ . 1 . 2]" 1
1683 2 6 THR MG 2 7 GLU H 4.510 . 4.510 2.210 1.963 2.697 . 0 0 "[ . 1 . 2]" 1
1684 2 6 THR MG 2 8 LEU HA 5.480 . 5.480 4.223 3.857 4.432 . 0 0 "[ . 1 . 2]" 1
1685 2 6 THR MG 2 8 LEU MD1 6.110 . 6.110 3.921 3.503 4.075 . 0 0 "[ . 1 . 2]" 1
1686 2 6 THR MG 2 8 LEU MD2 6.110 . 6.110 2.927 1.913 3.886 . 0 0 "[ . 1 . 2]" 1
1687 2 6 THR MG 2 8 LEU QD 5.990 . 5.990 2.788 1.908 3.413 . 0 0 "[ . 1 . 2]" 1
1688 2 6 THR MG 2 8 LEU HG 4.670 . 4.670 3.204 2.872 3.590 . 0 0 "[ . 1 . 2]" 1
1689 2 6 THR MG 2 8 LEU H 6.280 . 6.280 4.599 4.083 4.916 . 0 0 "[ . 1 . 2]" 1
1690 2 7 GLU HA 2 8 LEU H 3.160 . 3.160 2.179 2.138 2.257 . 0 0 "[ . 1 . 2]" 1
1691 2 7 GLU QB 2 8 LEU H 5.190 . 5.190 3.154 2.833 3.556 . 0 0 "[ . 1 . 2]" 1
1692 2 7 GLU QG 2 8 LEU H 5.230 . 5.230 3.935 3.243 4.382 . 0 0 "[ . 1 . 2]" 1
1693 2 7 GLU H 2 7 GLU HB3 3.760 . 3.760 3.574 3.280 3.671 . 0 0 "[ . 1 . 2]" 1
1694 2 7 GLU H 2 7 GLU HB2 3.760 . 3.760 2.377 2.208 2.665 . 0 0 "[ . 1 . 2]" 1
1695 2 7 GLU H 2 7 GLU QG 4.570 . 4.570 3.013 2.411 3.663 . 0 0 "[ . 1 . 2]" 1
1696 2 7 GLU H 2 8 LEU QD 7.370 . 7.370 4.495 3.616 5.014 . 0 0 "[ . 1 . 2]" 1
1697 2 7 GLU H 2 8 LEU H 4.580 . 4.580 4.473 4.253 4.581 0.001 7 0 "[ . 1 . 2]" 1
1698 2 8 LEU HA 2 8 LEU HG 3.500 . 3.500 2.865 2.494 3.352 . 0 0 "[ . 1 . 2]" 1
1699 2 8 LEU H 2 8 LEU HG 4.030 . 4.030 2.883 2.243 3.451 . 0 0 "[ . 1 . 2]" 1
1700 1 64 HIS NE2 2 6 THR HG1 2.500 . 2.500 2.450 2.346 2.510 0.010 20 0 "[ . 1 . 2]" 1
1701 1 20 SER QB 1 90 PHE HZ 5.000 . 6.000 3.825 2.735 4.866 . 0 0 "[ . 1 . 2]" 1
1702 1 30 PHE QB 1 90 PHE HZ 5.000 . 6.000 4.458 3.531 5.174 . 0 0 "[ . 1 . 2]" 1
1703 1 30 PHE QD 1 48 GLY QA 5.000 . 8.000 4.711 3.822 5.710 . 0 0 "[ . 1 . 2]" 1
1704 1 30 PHE QD 1 89 LEU QD 5.000 . 9.400 3.523 2.316 4.204 . 0 0 "[ . 1 . 2]" 1
1705 1 32 SER HA 1 90 PHE QE 3.500 . 5.500 3.912 3.504 4.252 . 0 0 "[ . 1 . 2]" 1
1706 1 32 SER HA 1 90 PHE HZ 5.000 . 5.000 3.143 2.776 3.592 . 0 0 "[ . 1 . 2]" 1
1707 1 32 SER QB 1 90 PHE HZ 5.000 . 6.000 4.546 3.981 4.929 . 0 0 "[ . 1 . 2]" 1
1708 1 47 ILE MD 1 90 PHE QD 5.000 . 8.500 5.439 4.529 5.966 . 0 0 "[ . 1 . 2]" 1
1709 1 47 ILE MD 1 90 PHE HZ 5.000 . 6.500 5.185 4.736 5.410 . 0 0 "[ . 1 . 2]" 1
1710 1 51 ILE MG 1 59 PHE QE 2.900 . 6.400 3.154 2.853 3.505 . 0 0 "[ . 1 . 2]" 1
1711 1 53 GLU HA 1 59 PHE QD 5.000 . 7.000 3.449 3.065 3.780 . 0 0 "[ . 1 . 2]" 1
1712 1 54 VAL QG 1 59 PHE QD 2.900 . 7.300 2.810 2.674 3.040 . 0 0 "[ . 1 . 2]" 1
1713 1 54 VAL QG 1 59 PHE QE 2.900 . 7.300 2.508 2.422 2.568 . 0 0 "[ . 1 . 2]" 1
1714 1 57 VAL QG 1 59 PHE QD 2.900 . 7.300 2.757 2.212 3.237 . 0 0 "[ . 1 . 2]" 1
1715 1 57 VAL QG 1 59 PHE QE 2.900 . 7.300 2.656 1.925 3.318 . 0 0 "[ . 1 . 2]" 1
1716 1 59 PHE QD 1 62 LEU QD 2.900 . 7.300 2.644 2.469 2.735 . 0 0 "[ . 1 . 2]" 1
1717 1 59 PHE QD 1 67 ALA HA 3.500 . 5.500 4.535 4.394 4.780 . 0 0 "[ . 1 . 2]" 1
1718 1 59 PHE QD 1 70 VAL QG 2.900 . 7.300 4.117 3.850 4.342 . 0 0 "[ . 1 . 2]" 1
1719 1 59 PHE QD 1 71 LEU QD 2.900 . 7.300 4.466 4.222 4.689 . 0 0 "[ . 1 . 2]" 1
1720 1 59 PHE QE 1 62 LEU QD 2.900 . 7.300 2.416 2.144 2.658 . 0 0 "[ . 1 . 2]" 1
1721 1 59 PHE QE 1 67 ALA HA 3.500 . 5.500 2.967 2.631 3.142 . 0 0 "[ . 1 . 2]" 1
1722 1 59 PHE QE 1 70 VAL QG 2.900 . 7.300 2.284 1.940 2.694 . 0 0 "[ . 1 . 2]" 1
1723 1 59 PHE QE 1 71 LEU QD 2.900 . 7.300 2.934 2.504 3.171 . 0 0 "[ . 1 . 2]" 1
1724 1 87 ARG HA 1 90 PHE QD 5.000 . 7.000 3.219 2.505 3.710 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 213
_Distance_constraint_stats_list.Viol_total 37.585
_Distance_constraint_stats_list.Viol_max 0.045
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0088
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 0.102 0.014 2 0 "[ . 1 . 2]"
1 5 VAL 0.081 0.009 20 0 "[ . 1 . 2]"
1 7 ILE 0.161 0.018 5 0 "[ . 1 . 2]"
1 17 CYS 0.015 0.005 3 0 "[ . 1 . 2]"
1 18 SER 0.726 0.045 8 0 "[ . 1 . 2]"
1 19 ILE 0.017 0.013 14 0 "[ . 1 . 2]"
1 20 SER 0.269 0.025 4 0 "[ . 1 . 2]"
1 29 ILE 0.018 0.006 10 0 "[ . 1 . 2]"
1 30 PHE 0.269 0.025 4 0 "[ . 1 . 2]"
1 32 SER 0.596 0.045 8 0 "[ . 1 . 2]"
1 33 HIS 0.130 0.028 8 0 "[ . 1 . 2]"
1 39 LEU 0.003 0.003 9 0 "[ . 1 . 2]"
1 43 VAL 0.003 0.003 9 0 "[ . 1 . 2]"
1 51 ILE 0.018 0.006 10 0 "[ . 1 . 2]"
1 53 GLU 0.010 0.006 13 0 "[ . 1 . 2]"
1 64 HIS 0.110 0.019 7 0 "[ . 1 . 2]"
1 65 LYS 0.014 0.003 2 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.141 0.017 11 0 "[ . 1 . 2]"
1 68 VAL 0.110 0.019 7 0 "[ . 1 . 2]"
1 69 ASN 0.124 0.012 12 0 "[ . 1 . 2]"
1 70 VAL 0.081 0.009 9 0 "[ . 1 . 2]"
1 71 LEU 0.141 0.017 11 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.110 0.012 12 0 "[ . 1 . 2]"
1 74 SER 0.081 0.009 9 0 "[ . 1 . 2]"
1 77 LEU 0.161 0.018 5 0 "[ . 1 . 2]"
1 79 ILE 0.081 0.009 20 0 "[ . 1 . 2]"
1 80 SER 0.010 0.006 13 0 "[ . 1 . 2]"
1 81 ILE 0.102 0.014 2 0 "[ . 1 . 2]"
1 87 ARG 0.023 0.016 2 0 "[ . 1 . 2]"
1 91 MET 0.023 0.016 2 0 "[ . 1 . 2]"
2 6 THR 0.017 0.013 14 0 "[ . 1 . 2]"
2 8 LEU 0.015 0.005 3 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 64 HIS O 1 68 VAL N 3.300 2.200 3.300 3.145 3.028 3.174 . 0 0 "[ . 1 . 2]" 2
2 1 64 HIS O 1 68 VAL H 2.200 . 2.200 2.194 2.071 2.219 0.019 7 0 "[ . 1 . 2]" 2
3 1 65 LYS O 1 69 ASN N 3.300 2.200 3.300 2.768 2.710 2.872 . 0 0 "[ . 1 . 2]" 2
4 1 65 LYS O 1 69 ASN H 2.200 . 2.200 1.838 1.797 1.996 0.003 2 0 "[ . 1 . 2]" 2
5 1 66 GLU O 1 70 VAL N 3.300 2.200 3.300 3.040 2.952 3.173 . 0 0 "[ . 1 . 2]" 2
6 1 66 GLU O 1 70 VAL H 2.200 . 2.200 2.066 1.976 2.199 . 0 0 "[ . 1 . 2]" 2
7 1 67 ALA O 1 71 LEU N 3.300 2.200 3.300 3.121 3.071 3.144 . 0 0 "[ . 1 . 2]" 2
8 1 67 ALA O 1 71 LEU H 2.200 . 2.200 2.199 2.137 2.217 0.017 11 0 "[ . 1 . 2]" 2
9 1 68 VAL O 1 72 LYS N 3.300 2.200 3.300 2.715 2.621 2.850 . 0 0 "[ . 1 . 2]" 2
10 1 68 VAL O 1 72 LYS H 2.200 . 2.200 1.920 1.806 2.058 . 0 0 "[ . 1 . 2]" 2
11 1 69 ASN O 1 73 SER N 3.300 2.200 3.300 2.643 2.578 2.705 . 0 0 "[ . 1 . 2]" 2
12 1 69 ASN O 1 73 SER H 2.200 . 2.200 1.795 1.788 1.812 0.012 12 0 "[ . 1 . 2]" 2
13 1 70 VAL O 1 74 SER N 3.300 2.200 3.300 3.120 2.844 3.186 . 0 0 "[ . 1 . 2]" 2
14 1 70 VAL O 1 74 SER H 2.200 . 2.200 2.194 2.055 2.209 0.009 9 0 "[ . 1 . 2]" 2
15 1 39 LEU O 1 43 VAL N 3.300 2.200 3.300 2.899 2.748 3.048 . 0 0 "[ . 1 . 2]" 2
16 1 39 LEU O 1 43 VAL H 2.200 . 2.200 1.987 1.797 2.120 0.003 9 0 "[ . 1 . 2]" 2
17 1 87 ARG O 1 91 MET N 3.300 2.200 3.300 2.862 2.659 3.046 . 0 0 "[ . 1 . 2]" 2
18 1 87 ARG O 1 91 MET H 2.200 . 2.200 1.993 1.784 2.179 0.016 2 0 "[ . 1 . 2]" 2
19 1 3 LYS O 1 81 ILE H 2.200 . 2.200 2.125 1.823 2.214 0.014 2 0 "[ . 1 . 2]" 2
20 1 3 LYS O 1 81 ILE N 3.300 2.200 3.300 2.810 2.695 2.922 . 0 0 "[ . 1 . 2]" 2
21 1 3 LYS H 1 81 ILE O 2.200 . 2.200 1.858 1.800 2.186 0.000 13 0 "[ . 1 . 2]" 2
22 1 3 LYS N 1 81 ILE O 3.300 2.200 3.300 2.592 2.528 2.894 . 0 0 "[ . 1 . 2]" 2
23 1 5 VAL O 1 79 ILE H 2.200 . 2.200 2.006 1.796 2.203 0.004 6 0 "[ . 1 . 2]" 2
24 1 5 VAL O 1 79 ILE N 3.300 2.200 3.300 2.786 2.639 3.000 . 0 0 "[ . 1 . 2]" 2
25 1 5 VAL H 1 79 ILE O 2.200 . 2.200 2.195 2.034 2.209 0.009 20 0 "[ . 1 . 2]" 2
26 1 5 VAL N 1 79 ILE O 3.300 2.200 3.300 2.934 2.824 3.033 . 0 0 "[ . 1 . 2]" 2
27 1 7 ILE O 1 77 LEU H 2.200 . 2.200 2.161 2.035 2.211 0.011 10 0 "[ . 1 . 2]" 2
28 1 7 ILE O 1 77 LEU N 3.300 2.200 3.300 2.964 2.746 3.144 . 0 0 "[ . 1 . 2]" 2
29 1 7 ILE H 1 77 LEU O 2.200 . 2.200 2.194 2.134 2.218 0.018 5 0 "[ . 1 . 2]" 2
30 1 7 ILE N 1 77 LEU O 3.300 2.200 3.300 3.131 2.999 3.185 . 0 0 "[ . 1 . 2]" 2
31 1 17 CYS O 2 8 LEU H 2.200 . 2.200 1.902 1.795 2.203 0.005 3 0 "[ . 1 . 2]" 2
32 1 17 CYS O 2 8 LEU N 3.300 2.200 3.300 2.722 2.577 2.915 . 0 0 "[ . 1 . 2]" 2
33 1 18 SER O 1 32 SER H 2.500 . 2.500 1.770 1.755 1.785 0.045 8 0 "[ . 1 . 2]" 2
34 1 18 SER O 1 32 SER N 3.600 2.200 3.600 2.729 2.554 2.757 . 0 0 "[ . 1 . 2]" 2
35 1 18 SER H 1 33 HIS O 2.500 . 2.500 2.490 2.387 2.528 0.028 8 0 "[ . 1 . 2]" 2
36 1 18 SER N 1 33 HIS O 3.600 2.200 3.600 3.315 3.186 3.400 . 0 0 "[ . 1 . 2]" 2
37 1 19 ILE O 2 6 THR H 2.200 . 2.200 2.002 1.797 2.201 0.003 4 0 "[ . 1 . 2]" 2
38 1 19 ILE O 2 6 THR N 3.300 2.200 3.300 2.921 2.672 3.119 . 0 0 "[ . 1 . 2]" 2
39 1 19 ILE H 2 6 THR O 2.200 . 2.200 1.918 1.787 2.065 0.013 14 0 "[ . 1 . 2]" 2
40 1 19 ILE N 2 6 THR O 3.300 2.200 3.300 2.804 2.664 2.949 . 0 0 "[ . 1 . 2]" 2
41 1 20 SER O 1 30 PHE H 2.200 . 2.200 1.810 1.775 1.958 0.025 4 0 "[ . 1 . 2]" 2
42 1 20 SER O 1 30 PHE N 3.300 2.200 3.300 2.735 2.672 2.888 . 0 0 "[ . 1 . 2]" 2
43 1 20 SER H 1 30 PHE O 2.200 . 2.200 2.194 2.003 2.222 0.022 13 0 "[ . 1 . 2]" 2
44 1 20 SER N 1 30 PHE O 3.300 2.200 3.300 3.044 2.856 3.147 . 0 0 "[ . 1 . 2]" 2
45 1 29 ILE O 1 51 ILE H 2.500 . 2.500 2.284 1.940 2.506 0.006 10 0 "[ . 1 . 2]" 2
46 1 29 ILE O 1 51 ILE N 3.600 2.200 3.600 2.980 2.745 3.179 . 0 0 "[ . 1 . 2]" 2
47 1 53 GLU O 1 80 SER H 2.500 . 2.500 1.950 1.794 2.187 0.006 13 0 "[ . 1 . 2]" 2
48 1 53 GLU O 1 80 SER N 3.600 2.200 3.600 2.798 2.681 3.008 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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