NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576245 |
2mhp   |
19646 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhp
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 950
_Distance_constraint_stats_list.Viol_count 446
_Distance_constraint_stats_list.Viol_total 694.671
_Distance_constraint_stats_list.Viol_max 0.653
_Distance_constraint_stats_list.Viol_rms 0.0414
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.1558
_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 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 MET 0.000 0.000 . 0 "[ . 1]"
1 9 PRO 0.000 0.000 . 0 "[ . 1]"
1 10 MET 0.000 0.000 . 0 "[ . 1]"
1 11 VAL 3.213 0.364 3 0 "[ . 1]"
1 12 LYS 3.357 0.196 3 0 "[ . 1]"
1 13 LEU 4.276 0.367 9 0 "[ . 1]"
1 14 VAL 1.601 0.179 2 0 "[ . 1]"
1 15 CYS 0.000 0.000 . 0 "[ . 1]"
1 16 PRO 0.102 0.102 10 0 "[ . 1]"
1 17 ALA 3.659 0.339 1 0 "[ . 1]"
1 18 ASP 3.659 0.339 1 0 "[ . 1]"
1 19 ASN 0.000 0.000 . 0 "[ . 1]"
1 20 LEU 0.102 0.102 10 0 "[ . 1]"
1 21 ARG 0.000 0.000 . 0 "[ . 1]"
1 22 ALA 0.207 0.132 4 0 "[ . 1]"
1 23 GLU 0.207 0.132 4 0 "[ . 1]"
1 28 THR 0.006 0.006 5 0 "[ . 1]"
1 29 LYS 0.006 0.006 5 0 "[ . 1]"
1 30 THR 1.960 0.602 8 1 "[ . + 1]"
1 31 CYS 1.313 0.322 4 0 "[ . 1]"
1 32 GLN 0.661 0.225 10 0 "[ . 1]"
1 33 ASN 6.524 0.653 7 2 "[ . +- 1]"
1 34 TYR 0.652 0.320 10 0 "[ . 1]"
1 35 ASP 1.907 0.331 10 0 "[ . 1]"
1 36 LEU 6.140 0.418 2 0 "[ . 1]"
1 37 GLU 2.109 0.653 7 1 "[ . + 1]"
1 39 MET 0.386 0.279 4 0 "[ . 1]"
1 40 SER 0.386 0.279 4 0 "[ . 1]"
1 41 MET 0.000 0.000 . 0 "[ . 1]"
1 42 GLY 0.000 0.000 . 0 "[ . 1]"
1 43 CYS 0.154 0.140 1 0 "[ . 1]"
1 44 VAL 0.154 0.140 1 0 "[ . 1]"
1 45 SER 0.000 0.000 . 0 "[ . 1]"
1 46 GLY 0.009 0.009 3 0 "[ . 1]"
1 47 CYS 2.684 0.367 9 0 "[ . 1]"
1 48 LEU 4.586 0.364 3 0 "[ . 1]"
1 49 CYS 0.000 0.000 . 0 "[ . 1]"
1 50 PRO 0.000 0.000 . 0 "[ . 1]"
1 52 GLY 0.000 0.000 . 0 "[ . 1]"
1 53 MET 0.029 0.019 8 0 "[ . 1]"
1 54 VAL 0.000 0.000 . 0 "[ . 1]"
1 55 ARG 0.683 0.150 5 0 "[ . 1]"
1 56 HIS 0.000 0.000 . 0 "[ . 1]"
1 57 GLU 0.000 0.000 . 0 "[ . 1]"
1 58 ASN 0.000 0.000 . 0 "[ . 1]"
1 59 ARG 0.000 0.000 . 0 "[ . 1]"
1 60 CYS 0.000 0.000 . 0 "[ . 1]"
1 61 VAL 0.637 0.150 5 0 "[ . 1]"
1 62 ALA 0.000 0.000 . 0 "[ . 1]"
1 63 LEU 0.029 0.019 8 0 "[ . 1]"
1 64 GLU 0.011 0.011 10 0 "[ . 1]"
1 65 ARG 0.000 0.000 . 0 "[ . 1]"
1 66 CYS 0.011 0.011 10 0 "[ . 1]"
1 67 PRO 0.000 0.000 . 0 "[ . 1]"
1 68 CYS 2.164 0.316 8 0 "[ . 1]"
1 69 PHE 0.429 0.225 10 0 "[ . 1]"
1 70 HIS 0.747 0.116 9 0 "[ . 1]"
1 71 GLN 0.000 0.000 . 0 "[ . 1]"
1 72 GLY 0.000 0.000 . 0 "[ . 1]"
1 73 LYS 0.080 0.024 5 0 "[ . 1]"
1 74 GLU 0.000 0.000 . 0 "[ . 1]"
1 75 TYR 0.060 0.060 2 0 "[ . 1]"
1 76 ALA 0.000 0.000 . 0 "[ . 1]"
1 77 PRO 0.000 0.000 . 0 "[ . 1]"
1 78 GLY 0.000 0.000 . 0 "[ . 1]"
1 79 GLU 0.400 0.073 1 0 "[ . 1]"
1 80 THR 6.212 0.511 10 1 "[ . +]"
1 81 VAL 2.573 0.243 6 0 "[ . 1]"
1 82 LYS 3.229 0.411 3 0 "[ . 1]"
1 83 ILE 2.250 0.331 8 0 "[ . 1]"
1 84 GLY 0.000 0.000 . 0 "[ . 1]"
1 85 CYS 2.256 0.290 7 0 "[ . 1]"
1 86 ASN 1.580 0.290 7 0 "[ . 1]"
1 87 THR 9.169 0.335 2 0 "[ . 1]"
1 88 CYS 13.779 0.511 10 1 "[ . +]"
1 89 VAL 0.640 0.068 8 0 "[ . 1]"
1 90 CYS 5.088 0.350 5 0 "[ . 1]"
1 91 ARG 0.554 0.085 3 0 "[ . 1]"
1 92 ASP 0.302 0.076 7 0 "[ . 1]"
1 93 ARG 0.568 0.085 3 0 "[ . 1]"
1 94 LYS 3.058 0.350 5 0 "[ . 1]"
1 95 TRP 7.109 0.327 4 0 "[ . 1]"
1 96 ASN 1.591 0.205 3 0 "[ . 1]"
1 97 CYS 2.391 0.335 2 0 "[ . 1]"
1 98 THR 9.499 0.391 1 0 "[ . 1]"
1 99 ASP 4.813 0.362 7 0 "[ . 1]"
1 100 HIS 3.134 0.391 1 0 "[ . 1]"
1 101 VAL 0.564 0.135 3 0 "[ . 1]"
1 102 CYS 1.472 0.288 8 0 "[ . 1]"
1 103 ASP 1.803 0.288 8 0 "[ . 1]"
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 ALA HA 1 14 VAL MG1 5.000 . 7.500 5.673 3.711 6.191 . 0 0 "[ . 1]" 1
2 1 2 ALA MB 1 3 MET HA 5.000 . 6.500 4.115 3.833 4.451 . 0 0 "[ . 1]" 1
3 1 9 PRO HA 1 10 MET H 3.600 . 4.000 2.234 2.147 2.274 . 0 0 "[ . 1]" 1
4 1 9 PRO HA 1 11 VAL MG2 5.000 . 7.500 5.660 4.470 5.957 . 0 0 "[ . 1]" 1
5 1 9 PRO QB 1 10 MET H 5.000 . 6.500 3.423 3.059 3.796 . 0 0 "[ . 1]" 1
6 1 9 PRO QD 1 10 MET H 3.600 . 5.500 4.902 4.657 5.008 . 0 0 "[ . 1]" 1
7 1 9 PRO QD 1 10 MET QG 5.000 . 7.500 4.819 4.198 5.867 . 0 0 "[ . 1]" 1
8 1 10 MET HA 1 11 VAL H 2.900 . 3.700 3.552 3.215 3.609 . 0 0 "[ . 1]" 1
9 1 10 MET HA 1 11 VAL MG2 2.900 . 5.200 3.896 2.901 4.206 . 0 0 "[ . 1]" 1
10 1 10 MET ME 1 47 CYS HA 5.000 . 7.300 5.649 4.834 6.043 . 0 0 "[ . 1]" 1
11 1 10 MET ME 1 55 ARG QD 3.600 . 5.900 4.047 2.664 4.518 . 0 0 "[ . 1]" 1
12 1 10 MET ME 1 59 ARG HA 3.600 . 5.900 4.704 4.442 4.840 . 0 0 "[ . 1]" 1
13 1 10 MET ME 1 60 CYS H 3.600 . 5.900 4.543 4.288 4.811 . 0 0 "[ . 1]" 1
14 1 10 MET QG 1 11 VAL H 5.000 . 6.500 4.155 3.721 4.525 . 0 0 "[ . 1]" 1
15 1 10 MET QG 1 11 VAL MG2 5.000 . 8.500 4.167 3.941 4.838 . 0 0 "[ . 1]" 1
16 1 11 VAL H 1 48 LEU H 5.000 . 5.500 3.362 2.806 4.803 . 0 0 "[ . 1]" 1
17 1 11 VAL H 1 48 LEU HG 5.000 . 5.500 5.698 5.260 5.864 0.364 3 0 "[ . 1]" 1
18 1 11 VAL HA 1 12 LYS H 2.900 . 3.200 2.133 2.097 2.161 . 0 0 "[ . 1]" 1
19 1 11 VAL HA 1 12 LYS QB 3.600 . 5.000 4.241 4.069 4.367 . 0 0 "[ . 1]" 1
20 1 11 VAL HA 1 12 LYS QG 5.000 . 6.400 4.573 3.634 5.750 . 0 0 "[ . 1]" 1
21 1 11 VAL HB 1 12 LYS H 2.900 . 4.000 4.083 3.842 4.196 0.196 3 0 "[ . 1]" 1
22 1 11 VAL HB 1 48 LEU H 5.000 . 5.500 3.132 2.624 3.619 . 0 0 "[ . 1]" 1
23 1 11 VAL HB 1 48 LEU QB 3.600 . 5.000 3.719 3.034 4.696 . 0 0 "[ . 1]" 1
24 1 11 VAL MG1 1 12 LYS H 2.900 . 5.200 2.903 2.716 3.150 . 0 0 "[ . 1]" 1
25 1 11 VAL MG1 1 47 CYS HA 5.000 . 7.500 5.193 4.982 5.635 . 0 0 "[ . 1]" 1
26 1 11 VAL MG1 1 48 LEU H 3.600 . 6.000 4.504 4.131 5.034 . 0 0 "[ . 1]" 1
27 1 11 VAL MG1 1 50 PRO QD 3.600 . 6.900 4.710 4.218 4.960 . 0 0 "[ . 1]" 1
28 1 11 VAL MG2 1 12 LYS H 2.900 . 5.200 4.286 4.209 4.390 . 0 0 "[ . 1]" 1
29 1 11 VAL MG2 1 47 CYS HA 3.600 . 6.000 5.210 5.127 5.268 . 0 0 "[ . 1]" 1
30 1 11 VAL MG2 1 48 LEU H 2.900 . 5.200 4.016 3.598 4.257 . 0 0 "[ . 1]" 1
31 1 11 VAL MG2 1 48 LEU QB 2.900 . 6.200 4.203 3.807 4.584 . 0 0 "[ . 1]" 1
32 1 11 VAL MG2 1 49 CYS QB 3.600 . 7.000 4.342 4.020 5.234 . 0 0 "[ . 1]" 1
33 1 11 VAL MG2 1 50 PRO QD 2.900 . 6.200 2.475 2.108 2.883 . 0 0 "[ . 1]" 1
34 1 12 LYS HA 1 13 LEU H 2.900 . 3.200 2.133 2.094 2.165 . 0 0 "[ . 1]" 1
35 1 12 LYS HA 1 13 LEU QB 5.000 . 6.500 4.234 4.147 4.384 . 0 0 "[ . 1]" 1
36 1 12 LYS HA 1 14 VAL MG1 3.600 2.500 5.900 4.813 4.557 4.969 . 0 0 "[ . 1]" 1
37 1 12 LYS HA 1 47 CYS HA 3.600 . 4.100 2.713 2.576 2.909 . 0 0 "[ . 1]" 1
38 1 12 LYS HA 1 47 CYS QB 3.600 . 5.000 3.451 2.988 4.028 . 0 0 "[ . 1]" 1
39 1 12 LYS HA 1 48 LEU H 3.600 . 4.000 4.134 4.063 4.185 0.185 9 0 "[ . 1]" 1
40 1 12 LYS HA 1 48 LEU HG 5.000 . 5.500 5.559 5.063 5.692 0.192 2 0 "[ . 1]" 1
41 1 12 LYS QB 1 13 LEU H 5.000 . 6.500 3.366 2.891 3.891 . 0 0 "[ . 1]" 1
42 1 12 LYS QB 1 47 CYS HA 5.000 . 6.500 4.588 4.335 4.811 . 0 0 "[ . 1]" 1
43 1 12 LYS QG 1 13 LEU H 3.600 . 5.000 3.532 2.590 4.374 . 0 0 "[ . 1]" 1
44 1 12 LYS QG 1 13 LEU HA 5.000 . 6.500 4.643 3.680 5.920 . 0 0 "[ . 1]" 1
45 1 12 LYS QG 1 14 VAL MG1 3.600 . 6.900 3.727 2.251 5.029 . 0 0 "[ . 1]" 1
46 1 12 LYS QG 1 47 CYS HA 5.000 . 6.500 4.421 3.797 5.666 . 0 0 "[ . 1]" 1
47 1 13 LEU H 1 46 GLY H 5.000 . 5.500 2.988 2.743 3.206 . 0 0 "[ . 1]" 1
48 1 13 LEU H 1 47 CYS HA 3.600 . 4.500 3.466 3.329 3.948 . 0 0 "[ . 1]" 1
49 1 13 LEU H 1 48 LEU MD2 2.900 . 5.200 3.602 3.215 3.855 . 0 0 "[ . 1]" 1
50 1 13 LEU HA 1 14 VAL H 2.900 . 3.200 2.154 2.124 2.190 . 0 0 "[ . 1]" 1
51 1 13 LEU HA 1 14 VAL HB 5.000 . 5.500 5.659 5.638 5.679 0.179 2 0 "[ . 1]" 1
52 1 13 LEU QB 1 14 VAL H 3.600 . 5.000 3.292 3.111 3.421 . 0 0 "[ . 1]" 1
53 1 13 LEU QB 1 48 LEU HG 3.600 . 5.000 4.358 3.675 4.484 . 0 0 "[ . 1]" 1
54 1 13 LEU MD1 1 14 VAL H 2.900 . 5.200 3.521 3.194 3.747 . 0 0 "[ . 1]" 1
55 1 13 LEU MD1 1 22 ALA MB 3.600 . 6.400 4.031 3.155 4.494 . 0 0 "[ . 1]" 1
56 1 13 LEU MD1 1 46 GLY H 2.900 . 5.200 2.838 2.581 3.054 . 0 0 "[ . 1]" 1
57 1 13 LEU MD1 1 46 GLY QA 2.900 . 6.200 3.495 2.775 4.060 . 0 0 "[ . 1]" 1
58 1 13 LEU MD2 1 46 GLY QA 2.900 . 6.200 3.309 2.720 3.693 . 0 0 "[ . 1]" 1
59 1 13 LEU MD2 1 47 CYS H 2.900 . 5.200 4.247 4.111 4.296 . 0 0 "[ . 1]" 1
60 1 13 LEU HG 1 46 GLY QA 3.600 . 5.100 3.358 2.700 3.634 . 0 0 "[ . 1]" 1
61 1 13 LEU HG 1 47 CYS H 3.600 . 4.500 4.768 4.694 4.867 0.367 9 0 "[ . 1]" 1
62 1 14 VAL HA 1 15 CYS H 2.900 . 3.200 2.319 2.053 2.399 . 0 0 "[ . 1]" 1
63 1 14 VAL HA 1 15 CYS QB 5.000 . 6.500 4.255 3.977 4.691 . 0 0 "[ . 1]" 1
64 1 14 VAL HA 1 45 SER HA 3.600 . 4.000 2.499 2.282 2.948 . 0 0 "[ . 1]" 1
65 1 14 VAL HA 1 45 SER QB 3.600 . 5.000 3.152 2.134 4.312 . 0 0 "[ . 1]" 1
66 1 14 VAL HA 1 46 GLY H 3.600 . 4.000 3.793 3.604 4.009 0.009 3 0 "[ . 1]" 1
67 1 14 VAL MG1 1 15 CYS H 2.900 . 5.200 3.713 3.389 4.153 . 0 0 "[ . 1]" 1
68 1 14 VAL MG1 1 45 SER H 3.600 . 6.100 4.621 3.485 5.101 . 0 0 "[ . 1]" 1
69 1 14 VAL MG1 1 45 SER HA 3.600 . 5.900 3.254 2.475 3.731 . 0 0 "[ . 1]" 1
70 1 14 VAL MG1 1 45 SER QB 2.900 . 6.200 2.887 2.152 3.802 . 0 0 "[ . 1]" 1
71 1 15 CYS H 1 45 SER HA 5.000 . 5.500 3.902 2.604 4.448 . 0 0 "[ . 1]" 1
72 1 15 CYS H 1 45 SER QB 5.000 . 6.500 3.745 2.765 5.145 . 0 0 "[ . 1]" 1
73 1 15 CYS HA 1 16 PRO QD 2.900 . 4.200 2.085 2.063 2.108 . 0 0 "[ . 1]" 1
74 1 15 CYS QB 1 16 PRO QD 5.000 . 7.500 3.566 3.210 3.807 . 0 0 "[ . 1]" 1
75 1 15 CYS QB 1 22 ALA MB 5.000 . 7.500 4.144 3.077 4.968 . 0 0 "[ . 1]" 1
76 1 15 CYS QB 1 43 CYS QB 5.000 . 7.400 3.492 2.288 4.303 . 0 0 "[ . 1]" 1
77 1 15 CYS QB 1 45 SER HA 5.000 . 6.500 5.060 3.695 5.883 . 0 0 "[ . 1]" 1
78 1 16 PRO HA 1 20 LEU MD2 3.600 . 6.000 4.275 4.188 4.491 . 0 0 "[ . 1]" 1
79 1 16 PRO QB 1 17 ALA H 5.000 . 6.500 2.431 2.384 2.459 . 0 0 "[ . 1]" 1
80 1 16 PRO QB 1 18 ASP H 5.000 . 6.500 2.758 2.647 2.823 . 0 0 "[ . 1]" 1
81 1 16 PRO QB 1 19 ASN QB 3.600 . 6.000 4.444 4.252 4.554 . 0 0 "[ . 1]" 1
82 1 16 PRO QB 1 20 LEU MD1 5.000 . 8.500 3.813 3.563 4.387 . 0 0 "[ . 1]" 1
83 1 16 PRO QB 1 20 LEU MD2 3.600 . 7.000 1.962 1.910 2.105 . 0 0 "[ . 1]" 1
84 1 16 PRO QD 1 20 LEU HA 3.600 . 5.000 4.763 4.602 5.102 0.102 10 0 "[ . 1]" 1
85 1 16 PRO QD 1 20 LEU MD2 5.000 . 8.500 4.065 3.854 4.341 . 0 0 "[ . 1]" 1
86 1 16 PRO QG 1 19 ASN QB 3.600 . 6.000 4.835 4.657 4.984 . 0 0 "[ . 1]" 1
87 1 16 PRO QG 1 20 LEU MD1 5.000 . 8.500 3.976 3.653 4.523 . 0 0 "[ . 1]" 1
88 1 16 PRO QG 1 20 LEU MD2 3.600 . 7.000 2.890 2.603 3.156 . 0 0 "[ . 1]" 1
89 1 17 ALA H 1 18 ASP H 5.000 . 5.500 2.692 2.632 2.777 . 0 0 "[ . 1]" 1
90 1 17 ALA H 1 18 ASP HA 3.600 . 5.000 5.285 5.255 5.339 0.339 1 0 "[ . 1]" 1
91 1 17 ALA H 1 20 LEU MD1 5.000 . 7.500 5.705 5.439 6.281 . 0 0 "[ . 1]" 1
92 1 17 ALA H 1 20 LEU MD2 5.000 . 7.500 3.475 3.381 3.621 . 0 0 "[ . 1]" 1
93 1 17 ALA HA 1 18 ASP H 3.600 . 4.000 3.546 3.531 3.561 . 0 0 "[ . 1]" 1
94 1 17 ALA HA 1 18 ASP HA 3.600 . 4.500 4.580 4.563 4.592 0.092 2 0 "[ . 1]" 1
95 1 17 ALA HA 1 20 LEU MD2 3.600 . 6.000 5.161 5.070 5.234 . 0 0 "[ . 1]" 1
96 1 17 ALA MB 1 18 ASP H 3.600 . 5.000 2.411 2.338 2.523 . 0 0 "[ . 1]" 1
97 1 17 ALA MB 1 18 ASP QB 5.000 . 7.500 3.748 3.388 3.953 . 0 0 "[ . 1]" 1
98 1 18 ASP H 1 19 ASN H 5.000 . 5.500 2.337 2.258 2.531 . 0 0 "[ . 1]" 1
99 1 18 ASP QB 1 20 LEU QB 5.000 . 7.500 3.880 3.265 4.844 . 0 0 "[ . 1]" 1
100 1 19 ASN QB 1 22 ALA MB 3.600 . 6.000 3.420 2.290 4.094 . 0 0 "[ . 1]" 1
101 1 20 LEU MD2 1 21 ARG H 3.600 . 6.000 3.971 3.669 4.096 . 0 0 "[ . 1]" 1
102 1 21 ARG H 1 22 ALA H 5.000 . 5.500 2.662 2.159 2.920 . 0 0 "[ . 1]" 1
103 1 21 ARG H 1 22 ALA MB 5.000 . 6.500 3.892 3.401 4.481 . 0 0 "[ . 1]" 1
104 1 21 ARG HA 1 22 ALA H 3.600 . 4.000 2.999 2.603 3.554 . 0 0 "[ . 1]" 1
105 1 22 ALA HA 1 23 GLU H 2.900 . 3.200 2.556 2.123 3.332 0.132 4 0 "[ . 1]" 1
106 1 22 ALA HA 1 23 GLU HA 5.000 . 5.500 4.636 4.284 5.207 . 0 0 "[ . 1]" 1
107 1 22 ALA HA 1 23 GLU QB 3.600 . 5.000 4.308 4.028 4.582 . 0 0 "[ . 1]" 1
108 1 22 ALA HA 1 23 GLU QG 3.600 . 5.000 3.809 3.342 4.330 . 0 0 "[ . 1]" 1
109 1 22 ALA MB 1 23 GLU H 2.900 . 4.200 2.918 2.293 3.551 . 0 0 "[ . 1]" 1
110 1 22 ALA MB 1 23 GLU QB 3.600 . 6.000 4.291 3.479 4.725 . 0 0 "[ . 1]" 1
111 1 22 ALA MB 1 43 CYS QB 3.600 . 6.000 3.303 2.246 4.453 . 0 0 "[ . 1]" 1
112 1 28 THR HB 1 48 LEU MD1 3.600 . 6.000 3.952 2.157 4.977 . 0 0 "[ . 1]" 1
113 1 28 THR HB 1 48 LEU MD2 5.000 . 7.500 3.942 2.628 5.903 . 0 0 "[ . 1]" 1
114 1 28 THR MG 1 29 LYS H 2.900 . 5.200 3.165 1.794 3.785 0.006 5 0 "[ . 1]" 1
115 1 28 THR MG 1 29 LYS HA 3.600 . 6.500 4.937 3.446 5.543 . 0 0 "[ . 1]" 1
116 1 28 THR MG 1 48 LEU MD1 2.900 . 7.200 3.398 2.351 4.635 . 0 0 "[ . 1]" 1
117 1 28 THR MG 1 48 LEU MD2 2.900 . 7.200 3.099 2.267 4.099 . 0 0 "[ . 1]" 1
118 1 29 LYS H 1 32 GLN QG 5.000 . 6.500 6.047 5.936 6.186 . 0 0 "[ . 1]" 1
119 1 29 LYS H 1 54 VAL MG1 5.000 . 7.500 5.530 5.020 5.885 . 0 0 "[ . 1]" 1
120 1 29 LYS HA 1 30 THR H 2.900 . 3.200 2.209 2.165 2.274 . 0 0 "[ . 1]" 1
121 1 29 LYS HA 1 33 ASN QD 5.000 . 7.500 5.173 2.463 6.452 . 0 0 "[ . 1]" 1
122 1 29 LYS HA 1 34 TYR HA 5.000 . 5.500 3.099 2.480 3.727 . 0 0 "[ . 1]" 1
123 1 29 LYS QB 1 34 TYR H 5.000 . 6.500 5.837 5.179 6.063 . 0 0 "[ . 1]" 1
124 1 29 LYS QB 1 34 TYR HA 5.000 . 6.500 4.348 3.408 4.726 . 0 0 "[ . 1]" 1
125 1 29 LYS QB 1 34 TYR QD 3.600 . 7.400 3.665 2.508 4.423 . 0 0 "[ . 1]" 1
126 1 29 LYS QB 1 34 TYR QE 3.600 . 6.500 4.446 3.424 4.859 . 0 0 "[ . 1]" 1
127 1 29 LYS QE 1 34 TYR HA 3.600 . 5.500 4.981 4.709 5.206 . 0 0 "[ . 1]" 1
128 1 29 LYS QE 1 34 TYR QD 5.000 . 8.900 3.013 2.707 3.363 . 0 0 "[ . 1]" 1
129 1 29 LYS QE 1 34 TYR QE 3.600 . 6.000 2.621 2.288 3.571 . 0 0 "[ . 1]" 1
130 1 29 LYS QE 1 53 MET HA 3.600 . 5.000 4.661 4.304 4.932 . 0 0 "[ . 1]" 1
131 1 29 LYS QE 1 54 VAL MG1 3.600 . 7.000 2.164 1.986 2.412 . 0 0 "[ . 1]" 1
132 1 29 LYS QG 1 30 THR H 5.000 . 6.500 3.648 3.210 4.447 . 0 0 "[ . 1]" 1
133 1 29 LYS QG 1 34 TYR QD 5.000 . 8.900 2.645 2.031 4.440 . 0 0 "[ . 1]" 1
134 1 29 LYS QG 1 34 TYR QE 5.000 . 7.500 3.504 2.810 4.992 . 0 0 "[ . 1]" 1
135 1 29 LYS QG 1 54 VAL MG1 3.600 . 7.000 3.118 2.222 4.164 . 0 0 "[ . 1]" 1
136 1 30 THR H 1 32 GLN QG 5.000 . 6.500 3.666 3.294 3.934 . 0 0 "[ . 1]" 1
137 1 30 THR H 1 33 ASN QD 5.000 . 7.500 4.265 1.198 5.388 0.602 8 1 "[ . + 1]" 1
138 1 30 THR H 1 54 VAL HB 5.000 . 5.500 4.846 3.943 5.214 . 0 0 "[ . 1]" 1
139 1 30 THR H 1 54 VAL MG1 3.600 . 6.000 4.334 3.887 4.845 . 0 0 "[ . 1]" 1
140 1 30 THR HA 1 31 CYS H 2.900 . 3.200 2.331 2.283 2.476 . 0 0 "[ . 1]" 1
141 1 30 THR HA 1 31 CYS HA 5.000 . 5.500 4.251 4.207 4.346 . 0 0 "[ . 1]" 1
142 1 30 THR HA 1 54 VAL HA 5.000 . 5.500 3.584 2.799 4.191 . 0 0 "[ . 1]" 1
143 1 30 THR HA 1 54 VAL HB 2.900 . 3.200 2.332 2.180 2.711 . 0 0 "[ . 1]" 1
144 1 30 THR HA 1 54 VAL MG1 3.600 . 6.000 3.025 2.096 4.180 . 0 0 "[ . 1]" 1
145 1 30 THR HA 1 54 VAL MG2 3.600 . 6.000 3.770 3.084 4.019 . 0 0 "[ . 1]" 1
146 1 30 THR HA 1 55 ARG H 3.600 . 4.000 2.984 2.375 3.786 . 0 0 "[ . 1]" 1
147 1 30 THR HA 1 55 ARG QD 5.000 . 6.400 5.478 4.952 5.832 . 0 0 "[ . 1]" 1
148 1 30 THR HA 1 55 ARG QG 5.000 . 6.500 4.554 3.096 5.616 . 0 0 "[ . 1]" 1
149 1 30 THR HB 1 31 CYS H 2.900 . 3.200 3.056 2.699 3.522 0.322 4 0 "[ . 1]" 1
150 1 30 THR HB 1 31 CYS HA 5.000 . 5.500 5.131 4.743 5.690 0.190 9 0 "[ . 1]" 1
151 1 30 THR HB 1 31 CYS QB 5.000 . 6.500 4.589 4.075 5.002 . 0 0 "[ . 1]" 1
152 1 30 THR HB 1 54 VAL HB 5.000 . 5.500 4.356 3.533 5.090 . 0 0 "[ . 1]" 1
153 1 30 THR MG 1 31 CYS H 3.600 . 6.000 3.303 1.873 4.071 . 0 0 "[ . 1]" 1
154 1 30 THR MG 1 31 CYS HA 3.600 . 6.000 5.134 4.081 5.639 . 0 0 "[ . 1]" 1
155 1 30 THR MG 1 32 GLN H 5.000 . 7.500 3.451 2.374 4.159 . 0 0 "[ . 1]" 1
156 1 30 THR MG 1 32 GLN QB 5.000 . 8.500 4.312 3.604 5.092 . 0 0 "[ . 1]" 1
157 1 30 THR MG 1 32 GLN QG 5.000 . 8.500 2.768 2.020 3.541 . 0 0 "[ . 1]" 1
158 1 30 THR MG 1 33 ASN H 3.600 . 6.000 3.788 2.520 4.672 . 0 0 "[ . 1]" 1
159 1 30 THR MG 1 33 ASN QD 2.900 . 7.200 4.263 2.255 5.573 . 0 0 "[ . 1]" 1
160 1 30 THR MG 1 54 VAL HA 5.000 . 7.400 4.501 3.408 5.529 . 0 0 "[ . 1]" 1
161 1 30 THR MG 1 55 ARG H 2.900 . 5.200 3.022 1.754 4.143 0.046 7 0 "[ . 1]" 1
162 1 30 THR MG 1 55 ARG HA 3.600 . 6.000 4.543 3.784 5.504 . 0 0 "[ . 1]" 1
163 1 30 THR MG 1 55 ARG QB 2.900 . 6.200 2.839 2.009 3.779 . 0 0 "[ . 1]" 1
164 1 30 THR MG 1 55 ARG QD 2.900 . 6.200 3.515 3.098 4.544 . 0 0 "[ . 1]" 1
165 1 30 THR MG 1 55 ARG QG 2.900 . 6.200 3.291 1.842 4.430 . 0 0 "[ . 1]" 1
166 1 31 CYS H 1 32 GLN H 5.000 . 5.500 2.855 2.740 2.925 . 0 0 "[ . 1]" 1
167 1 31 CYS H 1 32 GLN QG 5.000 . 6.500 3.935 3.576 4.310 . 0 0 "[ . 1]" 1
168 1 31 CYS H 1 54 VAL HB 5.000 . 5.500 2.636 1.822 3.569 . 0 0 "[ . 1]" 1
169 1 31 CYS H 1 54 VAL MG1 5.000 . 7.400 3.410 2.245 4.729 . 0 0 "[ . 1]" 1
170 1 31 CYS H 1 54 VAL MG2 3.600 . 5.900 3.081 2.803 3.508 . 0 0 "[ . 1]" 1
171 1 31 CYS HA 1 34 TYR QB 3.600 . 5.000 2.606 2.196 2.960 . 0 0 "[ . 1]" 1
172 1 31 CYS HA 1 34 TYR QD 3.600 . 6.400 4.073 3.756 4.704 . 0 0 "[ . 1]" 1
173 1 31 CYS HA 1 54 VAL MG1 2.900 . 5.200 3.509 2.900 4.219 . 0 0 "[ . 1]" 1
174 1 31 CYS HA 1 54 VAL MG2 2.900 . 5.200 3.821 3.133 4.288 . 0 0 "[ . 1]" 1
175 1 31 CYS HA 1 63 LEU MD1 3.600 . 6.000 3.978 3.160 5.025 . 0 0 "[ . 1]" 1
176 1 31 CYS HA 1 63 LEU MD2 5.000 . 7.500 5.198 2.609 6.298 . 0 0 "[ . 1]" 1
177 1 31 CYS QB 1 54 VAL MG2 5.000 . 8.500 3.039 2.242 3.969 . 0 0 "[ . 1]" 1
178 1 31 CYS QB 1 66 CYS QB 5.000 . 7.500 2.759 2.142 4.265 . 0 0 "[ . 1]" 1
179 1 31 CYS QB 1 69 PHE HZ 5.000 . 6.500 3.877 2.726 5.377 . 0 0 "[ . 1]" 1
180 1 32 GLN HA 1 33 ASN H 5.000 . 5.500 3.582 3.558 3.607 . 0 0 "[ . 1]" 1
181 1 32 GLN HA 1 69 PHE HZ 5.000 . 5.500 5.292 4.736 5.725 0.225 10 0 "[ . 1]" 1
182 1 32 GLN QB 1 33 ASN H 3.600 . 5.000 3.328 3.097 3.425 . 0 0 "[ . 1]" 1
183 1 32 GLN QG 1 33 ASN H 3.600 . 5.000 1.826 1.662 1.948 0.138 3 0 "[ . 1]" 1
184 1 32 GLN QG 1 33 ASN HA 2.900 . 4.200 3.739 3.505 3.907 . 0 0 "[ . 1]" 1
185 1 32 GLN QG 1 34 TYR QD 5.000 . 8.900 6.401 6.186 6.558 . 0 0 "[ . 1]" 1
186 1 32 GLN QG 1 69 PHE QE 5.000 . 7.500 5.850 5.475 6.272 . 0 0 "[ . 1]" 1
187 1 32 GLN QG 1 69 PHE HZ 5.000 . 6.500 5.893 5.661 6.111 . 0 0 "[ . 1]" 1
188 1 33 ASN H 1 34 TYR H 2.900 . 3.200 2.149 2.059 2.379 . 0 0 "[ . 1]" 1
189 1 33 ASN HA 1 35 ASP H 5.000 . 5.500 4.017 3.888 4.160 . 0 0 "[ . 1]" 1
190 1 33 ASN HA 1 36 LEU HA 3.600 . 4.000 4.358 4.284 4.418 0.418 2 0 "[ . 1]" 1
191 1 33 ASN HA 1 36 LEU QB 5.000 . 6.500 2.140 2.076 2.214 . 0 0 "[ . 1]" 1
192 1 33 ASN HA 1 36 LEU MD1 2.900 . 5.200 3.677 2.852 4.084 . 0 0 "[ . 1]" 1
193 1 33 ASN HA 1 37 GLU HA 3.600 . 5.100 5.311 5.117 5.753 0.653 7 1 "[ . + 1]" 1
194 1 33 ASN QB 1 36 LEU QB 5.000 . 7.500 3.872 3.273 4.160 . 0 0 "[ . 1]" 1
195 1 33 ASN QB 1 36 LEU MD1 3.600 . 7.000 4.839 3.999 5.294 . 0 0 "[ . 1]" 1
196 1 33 ASN QD 1 36 LEU MD1 3.600 . 8.000 5.297 3.378 5.823 . 0 0 "[ . 1]" 1
197 1 34 TYR H 1 35 ASP H 3.600 . 4.100 2.976 2.898 3.054 . 0 0 "[ . 1]" 1
198 1 34 TYR H 1 36 LEU HG 5.000 . 5.500 5.255 4.489 5.820 0.320 10 0 "[ . 1]" 1
199 1 34 TYR H 1 54 VAL MG1 5.000 . 7.500 4.937 4.535 5.207 . 0 0 "[ . 1]" 1
200 1 34 TYR HA 1 35 ASP H 5.000 . 5.500 3.599 3.584 3.627 . 0 0 "[ . 1]" 1
201 1 34 TYR HA 1 54 VAL MG1 3.600 . 6.000 4.666 4.358 4.988 . 0 0 "[ . 1]" 1
202 1 34 TYR QB 1 35 ASP H 5.000 . 6.500 2.367 2.204 2.548 . 0 0 "[ . 1]" 1
203 1 34 TYR QB 1 54 VAL MG1 5.000 . 8.500 3.118 2.596 3.523 . 0 0 "[ . 1]" 1
204 1 34 TYR QB 1 54 VAL MG2 5.000 . 8.500 4.594 3.756 5.058 . 0 0 "[ . 1]" 1
205 1 34 TYR QD 1 35 ASP H 5.000 . 7.900 3.451 3.081 3.827 . 0 0 "[ . 1]" 1
206 1 34 TYR QD 1 54 VAL MG1 2.900 . 7.600 2.708 2.089 3.838 . 0 0 "[ . 1]" 1
207 1 34 TYR QD 1 54 VAL MG2 5.000 . 9.900 4.719 4.047 5.343 . 0 0 "[ . 1]" 1
208 1 34 TYR QD 1 63 LEU MD1 3.600 . 8.400 2.751 2.251 3.573 . 0 0 "[ . 1]" 1
209 1 34 TYR QD 1 63 LEU MD2 3.600 . 8.400 3.624 2.254 4.652 . 0 0 "[ . 1]" 1
210 1 34 TYR QE 1 35 ASP HA 5.000 . 6.500 4.991 4.514 5.177 . 0 0 "[ . 1]" 1
211 1 34 TYR QE 1 54 VAL MG1 2.900 . 6.200 3.440 2.351 4.566 . 0 0 "[ . 1]" 1
212 1 34 TYR QE 1 54 VAL MG2 5.000 . 8.500 5.459 4.757 6.193 . 0 0 "[ . 1]" 1
213 1 34 TYR QE 1 63 LEU MD1 2.900 . 6.200 2.665 2.235 2.982 . 0 0 "[ . 1]" 1
214 1 34 TYR QE 1 63 LEU MD2 2.900 . 6.200 2.924 2.064 4.349 . 0 0 "[ . 1]" 1
215 1 35 ASP H 1 36 LEU H 2.900 . 3.200 2.156 2.055 2.264 . 0 0 "[ . 1]" 1
216 1 35 ASP H 1 36 LEU HG 5.000 . 5.500 4.034 2.970 5.831 0.331 10 0 "[ . 1]" 1
217 1 35 ASP HA 1 36 LEU H 2.900 . 3.200 3.318 3.281 3.365 0.165 6 0 "[ . 1]" 1
218 1 35 ASP QB 1 36 LEU H 3.600 . 5.000 3.475 3.191 3.838 . 0 0 "[ . 1]" 1
219 1 35 ASP QB 1 36 LEU MD2 5.000 . 8.500 4.010 3.041 6.258 . 0 0 "[ . 1]" 1
220 1 36 LEU H 1 37 GLU H 5.000 . 5.500 4.452 4.302 4.521 . 0 0 "[ . 1]" 1
221 1 36 LEU HA 1 37 GLU H 2.900 . 3.200 2.342 2.121 2.517 . 0 0 "[ . 1]" 1
222 1 36 LEU MD2 1 37 GLU H 2.900 . 5.200 3.868 3.432 4.658 . 0 0 "[ . 1]" 1
223 1 36 LEU MD2 1 37 GLU HA 5.000 . 7.500 5.680 5.532 5.882 . 0 0 "[ . 1]" 1
224 1 39 MET HA 1 40 SER H 2.900 . 3.200 2.634 2.191 3.479 0.279 4 0 "[ . 1]" 1
225 1 41 MET HA 1 42 GLY H 5.000 . 5.500 2.852 2.142 3.573 . 0 0 "[ . 1]" 1
226 1 42 GLY H 1 43 CYS H 5.000 . 5.500 3.497 2.285 4.491 . 0 0 "[ . 1]" 1
227 1 42 GLY QA 1 43 CYS H 3.600 . 5.000 2.459 2.192 2.862 . 0 0 "[ . 1]" 1
228 1 43 CYS HA 1 44 VAL HA 3.600 . 4.500 4.446 4.327 4.640 0.140 1 0 "[ . 1]" 1
229 1 44 VAL HA 1 45 SER H 2.900 . 3.200 2.219 2.100 2.355 . 0 0 "[ . 1]" 1
230 1 44 VAL HA 1 45 SER QB 3.600 . 5.000 4.175 3.959 4.387 . 0 0 "[ . 1]" 1
231 1 44 VAL MG1 1 45 SER H 2.900 . 5.200 3.335 1.898 4.183 . 0 0 "[ . 1]" 1
232 1 44 VAL MG1 1 45 SER QB 5.000 . 8.500 4.403 3.044 5.101 . 0 0 "[ . 1]" 1
233 1 44 VAL MG2 1 45 SER H 3.600 . 6.000 3.616 2.418 4.073 . 0 0 "[ . 1]" 1
234 1 45 SER HA 1 46 GLY H 2.900 . 3.200 2.220 2.161 2.320 . 0 0 "[ . 1]" 1
235 1 45 SER HA 1 46 GLY QA 5.000 . 6.500 3.943 3.908 4.003 . 0 0 "[ . 1]" 1
236 1 46 GLY QA 1 47 CYS H 3.600 . 4.200 2.215 2.107 2.257 . 0 0 "[ . 1]" 1
237 1 47 CYS HA 1 48 LEU H 2.900 . 3.200 2.161 2.117 2.226 . 0 0 "[ . 1]" 1
238 1 47 CYS HA 1 48 LEU QB 5.000 . 6.500 4.477 4.209 4.697 . 0 0 "[ . 1]" 1
239 1 47 CYS HA 1 48 LEU MD1 3.600 . 6.000 4.992 4.852 5.163 . 0 0 "[ . 1]" 1
240 1 47 CYS HA 1 48 LEU MD2 3.600 . 6.000 4.311 4.061 4.574 . 0 0 "[ . 1]" 1
241 1 47 CYS QB 1 48 LEU H 5.000 . 6.400 3.353 2.778 3.730 . 0 0 "[ . 1]" 1
242 1 48 LEU QB 1 49 CYS H 5.000 . 6.500 2.144 1.917 2.497 . 0 0 "[ . 1]" 1
243 1 50 PRO QD 1 53 MET ME 3.600 . 6.900 4.699 4.043 4.985 . 0 0 "[ . 1]" 1
244 1 52 GLY QA 1 53 MET H 3.600 . 5.000 2.876 2.831 2.910 . 0 0 "[ . 1]" 1
245 1 53 MET H 1 54 VAL MG1 5.000 . 7.500 4.376 4.186 4.608 . 0 0 "[ . 1]" 1
246 1 53 MET H 1 54 VAL MG2 5.000 . 7.500 5.442 5.067 5.716 . 0 0 "[ . 1]" 1
247 1 53 MET HA 1 54 VAL H 2.900 . 3.200 2.250 2.183 2.353 . 0 0 "[ . 1]" 1
248 1 53 MET HA 1 54 VAL HA 5.000 . 5.500 4.410 4.358 4.461 . 0 0 "[ . 1]" 1
249 1 53 MET HA 1 54 VAL MG1 5.000 . 7.400 3.467 3.047 3.836 . 0 0 "[ . 1]" 1
250 1 53 MET HA 1 54 VAL MG2 3.600 . 6.000 3.391 3.052 3.684 . 0 0 "[ . 1]" 1
251 1 53 MET HA 1 60 CYS QB 3.600 . 5.000 4.448 4.310 4.539 . 0 0 "[ . 1]" 1
252 1 53 MET HA 1 62 ALA HA 2.900 . 3.200 2.735 2.571 2.825 . 0 0 "[ . 1]" 1
253 1 53 MET HA 1 62 ALA MB 3.600 . 5.000 4.252 4.134 4.333 . 0 0 "[ . 1]" 1
254 1 53 MET HA 1 63 LEU H 3.600 . 4.000 3.759 3.375 4.019 0.019 8 0 "[ . 1]" 1
255 1 53 MET HA 1 63 LEU HA 5.000 . 5.500 5.229 4.804 5.510 0.010 3 0 "[ . 1]" 1
256 1 53 MET HA 1 63 LEU MD1 5.000 . 7.500 4.967 3.062 5.761 . 0 0 "[ . 1]" 1
257 1 53 MET QB 1 54 VAL H 5.000 . 5.000 2.695 2.363 3.120 . 0 0 "[ . 1]" 1
258 1 53 MET QB 1 60 CYS QB 3.600 . 6.000 2.315 2.189 2.631 . 0 0 "[ . 1]" 1
259 1 53 MET QB 1 61 VAL H 5.000 . 6.500 3.673 3.335 4.176 . 0 0 "[ . 1]" 1
260 1 53 MET QB 1 62 ALA HA 5.000 . 6.500 4.342 4.113 4.644 . 0 0 "[ . 1]" 1
261 1 53 MET ME 1 54 VAL H 3.600 . 5.900 3.606 3.120 4.448 . 0 0 "[ . 1]" 1
262 1 53 MET ME 1 60 CYS HA 3.600 . 5.900 4.088 3.756 4.799 . 0 0 "[ . 1]" 1
263 1 53 MET ME 1 61 VAL H 3.600 . 5.900 3.210 2.861 3.843 . 0 0 "[ . 1]" 1
264 1 53 MET ME 1 61 VAL HA 3.600 . 5.900 2.228 2.120 2.362 . 0 0 "[ . 1]" 1
265 1 53 MET ME 1 61 VAL MG1 3.600 . 6.900 3.786 3.635 4.097 . 0 0 "[ . 1]" 1
266 1 53 MET ME 1 61 VAL MG2 3.600 . 6.900 4.022 3.856 4.325 . 0 0 "[ . 1]" 1
267 1 53 MET ME 1 62 ALA H 3.600 . 5.900 2.655 2.326 2.874 . 0 0 "[ . 1]" 1
268 1 53 MET ME 1 62 ALA HA 3.600 . 5.900 3.142 3.012 3.241 . 0 0 "[ . 1]" 1
269 1 53 MET ME 1 62 ALA MB 3.600 . 6.400 2.814 2.239 3.088 . 0 0 "[ . 1]" 1
270 1 53 MET ME 1 63 LEU H 3.600 . 5.900 4.947 4.850 5.040 . 0 0 "[ . 1]" 1
271 1 53 MET QG 1 54 VAL H 5.000 . 6.500 3.833 2.475 4.498 . 0 0 "[ . 1]" 1
272 1 53 MET QG 1 54 VAL MG1 5.000 . 8.500 5.180 4.772 5.500 . 0 0 "[ . 1]" 1
273 1 53 MET QG 1 54 VAL MG2 5.000 . 8.500 4.911 3.917 5.620 . 0 0 "[ . 1]" 1
274 1 53 MET QG 1 62 ALA HA 3.600 . 5.000 3.592 3.042 4.284 . 0 0 "[ . 1]" 1
275 1 53 MET QG 1 62 ALA MB 3.600 . 6.000 4.104 3.609 4.509 . 0 0 "[ . 1]" 1
276 1 53 MET QG 1 63 LEU H 5.000 . 6.500 5.100 4.495 5.652 . 0 0 "[ . 1]" 1
277 1 54 VAL H 1 61 VAL H 3.600 . 4.000 2.668 2.524 2.959 . 0 0 "[ . 1]" 1
278 1 54 VAL H 1 62 ALA HA 5.000 . 5.500 3.972 3.772 4.128 . 0 0 "[ . 1]" 1
279 1 54 VAL HA 1 55 ARG H 2.900 . 3.200 2.307 2.126 2.747 . 0 0 "[ . 1]" 1
280 1 54 VAL HB 1 55 ARG H 3.600 . 3.900 2.799 1.846 3.194 . 0 0 "[ . 1]" 1
281 1 54 VAL HB 1 63 LEU MD1 5.000 . 7.500 4.443 4.053 5.903 . 0 0 "[ . 1]" 1
282 1 54 VAL HB 1 63 LEU MD2 5.000 . 7.500 4.924 4.046 6.355 . 0 0 "[ . 1]" 1
283 1 54 VAL MG1 1 55 ARG H 3.600 . 5.900 3.724 3.455 3.945 . 0 0 "[ . 1]" 1
284 1 54 VAL MG1 1 61 VAL H 5.000 . 7.500 4.929 4.689 5.226 . 0 0 "[ . 1]" 1
285 1 54 VAL MG1 1 63 LEU H 3.600 . 6.000 4.127 3.781 4.336 . 0 0 "[ . 1]" 1
286 1 54 VAL MG1 1 63 LEU HA 2.900 . 5.200 3.440 3.103 3.647 . 0 0 "[ . 1]" 1
287 1 54 VAL MG1 1 63 LEU QB 3.600 . 7.000 4.083 3.084 4.497 . 0 0 "[ . 1]" 1
288 1 54 VAL MG1 1 63 LEU MD1 2.900 . 7.200 2.261 1.953 3.211 . 0 0 "[ . 1]" 1
289 1 54 VAL MG1 1 63 LEU MD2 2.900 . 7.200 2.498 1.903 3.826 . 0 0 "[ . 1]" 1
290 1 54 VAL MG1 1 63 LEU HG 5.000 . 7.300 3.829 2.422 4.711 . 0 0 "[ . 1]" 1
291 1 54 VAL MG1 1 65 ARG H 5.000 . 7.500 6.305 6.051 6.458 . 0 0 "[ . 1]" 1
292 1 54 VAL MG1 1 66 CYS HA 5.000 . 7.500 5.664 5.231 6.152 . 0 0 "[ . 1]" 1
293 1 54 VAL MG2 1 55 ARG H 2.900 . 5.200 3.710 2.772 4.162 . 0 0 "[ . 1]" 1
294 1 54 VAL MG2 1 61 VAL H 3.600 . 6.000 2.852 2.348 3.050 . 0 0 "[ . 1]" 1
295 1 54 VAL MG2 1 61 VAL HB 3.600 . 5.900 4.431 4.268 4.618 . 0 0 "[ . 1]" 1
296 1 54 VAL MG2 1 61 VAL MG1 2.900 . 7.200 4.007 3.846 4.220 . 0 0 "[ . 1]" 1
297 1 54 VAL MG2 1 63 LEU H 3.600 . 6.000 3.884 3.286 4.483 . 0 0 "[ . 1]" 1
298 1 54 VAL MG2 1 63 LEU HA 2.900 . 5.200 2.936 2.255 3.418 . 0 0 "[ . 1]" 1
299 1 54 VAL MG2 1 63 LEU QB 3.600 . 6.900 4.400 3.356 5.030 . 0 0 "[ . 1]" 1
300 1 54 VAL MG2 1 63 LEU MD1 2.900 . 7.200 2.999 2.214 4.104 . 0 0 "[ . 1]" 1
301 1 54 VAL MG2 1 63 LEU MD2 2.900 . 7.200 3.313 2.448 4.916 . 0 0 "[ . 1]" 1
302 1 54 VAL MG2 1 65 ARG H 5.000 . 7.500 4.998 4.595 5.371 . 0 0 "[ . 1]" 1
303 1 54 VAL MG2 1 66 CYS H 5.000 . 7.500 4.264 3.896 4.758 . 0 0 "[ . 1]" 1
304 1 54 VAL MG2 1 66 CYS QB 3.600 . 7.000 2.882 2.268 4.067 . 0 0 "[ . 1]" 1
305 1 55 ARG HA 1 56 HIS H 2.900 . 3.200 2.134 2.115 2.174 . 0 0 "[ . 1]" 1
306 1 55 ARG HA 1 56 HIS QB 5.000 . 6.500 4.034 3.948 4.109 . 0 0 "[ . 1]" 1
307 1 55 ARG HA 1 59 ARG H 5.000 . 5.500 4.256 4.017 4.575 . 0 0 "[ . 1]" 1
308 1 55 ARG HA 1 60 CYS HA 2.900 . 3.200 2.666 2.419 2.922 . 0 0 "[ . 1]" 1
309 1 55 ARG HA 1 61 VAL H 3.600 . 4.000 4.036 3.823 4.150 0.150 5 0 "[ . 1]" 1
310 1 55 ARG HA 1 61 VAL MG1 5.000 . 7.500 4.982 4.787 5.160 . 0 0 "[ . 1]" 1
311 1 55 ARG HA 1 61 VAL MG2 5.000 . 7.500 4.752 4.553 4.965 . 0 0 "[ . 1]" 1
312 1 55 ARG QB 1 60 CYS HA 5.000 . 6.500 4.543 4.055 4.839 . 0 0 "[ . 1]" 1
313 1 55 ARG QD 1 56 HIS H 5.000 . 6.900 5.397 4.887 5.757 . 0 0 "[ . 1]" 1
314 1 55 ARG QG 1 56 HIS H 3.600 . 5.000 3.751 2.830 4.284 . 0 0 "[ . 1]" 1
315 1 55 ARG QG 1 60 CYS HA 5.000 . 6.500 4.534 3.890 5.368 . 0 0 "[ . 1]" 1
316 1 56 HIS H 1 59 ARG H 5.000 . 5.500 2.711 2.505 3.034 . 0 0 "[ . 1]" 1
317 1 56 HIS H 1 60 CYS HA 3.600 . 4.000 3.211 2.935 3.306 . 0 0 "[ . 1]" 1
318 1 56 HIS H 1 60 CYS QB 5.000 . 6.500 5.115 4.827 5.206 . 0 0 "[ . 1]" 1
319 1 56 HIS H 1 61 VAL MG1 2.900 . 5.200 3.940 3.740 4.069 . 0 0 "[ . 1]" 1
320 1 56 HIS H 1 61 VAL MG2 2.900 . 5.200 4.144 3.955 4.228 . 0 0 "[ . 1]" 1
321 1 56 HIS HA 1 57 GLU H . . 3.200 2.149 2.110 2.185 . 0 0 "[ . 1]" 1
322 1 56 HIS HA 1 61 VAL MG2 5.000 . 7.400 4.883 4.734 4.993 . 0 0 "[ . 1]" 1
323 1 56 HIS QB 1 57 GLU H 5.000 . 6.500 3.793 3.732 3.870 . 0 0 "[ . 1]" 1
324 1 56 HIS QB 1 57 GLU QB 5.000 . 7.500 4.147 4.090 4.283 . 0 0 "[ . 1]" 1
325 1 56 HIS QB 1 59 ARG QG 5.000 . 7.500 2.706 2.345 3.034 . 0 0 "[ . 1]" 1
326 1 56 HIS QB 1 61 VAL MG1 3.600 . 7.000 2.655 2.442 3.048 . 0 0 "[ . 1]" 1
327 1 56 HIS QB 1 61 VAL MG2 2.900 . 6.200 2.517 2.318 2.634 . 0 0 "[ . 1]" 1
328 1 56 HIS HD2 1 57 GLU QB 5.000 . 6.500 3.900 3.753 4.080 . 0 0 "[ . 1]" 1
329 1 56 HIS HD2 1 57 GLU QG 5.000 . 6.500 5.424 4.617 5.988 . 0 0 "[ . 1]" 1
330 1 56 HIS HD2 1 59 ARG QD 5.000 . 6.500 2.437 2.279 3.191 . 0 0 "[ . 1]" 1
331 1 56 HIS HD2 1 61 VAL MG1 3.600 . 6.000 2.687 2.203 3.007 . 0 0 "[ . 1]" 1
332 1 56 HIS HD2 1 61 VAL MG2 3.600 . 6.000 3.228 2.833 3.617 . 0 0 "[ . 1]" 1
333 1 56 HIS HE1 1 57 GLU QB 5.000 . 6.500 2.932 2.592 3.466 . 0 0 "[ . 1]" 1
334 1 56 HIS HE1 1 59 ARG QD 3.600 . 5.000 4.839 4.717 4.898 . 0 0 "[ . 1]" 1
335 1 56 HIS HE1 1 67 PRO QG 5.000 . 6.500 2.955 2.593 3.090 . 0 0 "[ . 1]" 1
336 1 56 HIS HE1 1 69 PHE QE 5.000 . 5.500 4.929 4.303 5.339 . 0 0 "[ . 1]" 1
337 1 56 HIS HE1 1 69 PHE HZ 5.000 . 5.500 5.048 4.695 5.265 . 0 0 "[ . 1]" 1
338 1 57 GLU H 1 58 ASN H 5.000 . 5.500 2.835 2.720 2.991 . 0 0 "[ . 1]" 1
339 1 57 GLU HA 1 58 ASN H 5.000 . 5.500 2.853 2.699 2.995 . 0 0 "[ . 1]" 1
340 1 57 GLU HA 1 58 ASN HA 5.000 . 5.500 4.773 4.697 4.824 . 0 0 "[ . 1]" 1
341 1 57 GLU HA 1 58 ASN QB 5.000 . 6.500 4.275 3.771 4.507 . 0 0 "[ . 1]" 1
342 1 57 GLU HA 1 59 ARG H 5.000 . 5.500 4.335 4.160 4.537 . 0 0 "[ . 1]" 1
343 1 57 GLU QB 1 58 ASN H 5.000 . 6.500 3.850 3.771 3.940 . 0 0 "[ . 1]" 1
344 1 57 GLU QB 1 58 ASN QB 3.600 . 6.000 4.282 3.894 4.518 . 0 0 "[ . 1]" 1
345 1 57 GLU QB 1 59 ARG H 5.000 . 6.500 3.520 3.332 3.652 . 0 0 "[ . 1]" 1
346 1 57 GLU QB 1 59 ARG QD 5.000 . 7.500 2.380 2.145 2.675 . 0 0 "[ . 1]" 1
347 1 57 GLU QG 1 58 ASN QB 5.000 . 7.500 4.568 3.556 5.894 . 0 0 "[ . 1]" 1
348 1 58 ASN H 1 59 ARG H 5.000 . 5.500 2.591 2.456 2.770 . 0 0 "[ . 1]" 1
349 1 58 ASN HA 1 59 ARG H 3.600 . 4.000 3.210 3.186 3.257 . 0 0 "[ . 1]" 1
350 1 58 ASN QB 1 59 ARG H 5.000 . 6.500 3.613 3.497 3.699 . 0 0 "[ . 1]" 1
351 1 59 ARG H 1 60 CYS H 5.000 . 5.500 4.477 4.448 4.516 . 0 0 "[ . 1]" 1
352 1 59 ARG HA 1 60 CYS H 2.900 . 3.200 2.318 2.281 2.347 . 0 0 "[ . 1]" 1
353 1 59 ARG HA 1 60 CYS HA 5.000 . 5.500 4.401 4.378 4.425 . 0 0 "[ . 1]" 1
354 1 59 ARG QB 1 60 CYS H 3.600 . 4.200 2.963 2.803 3.080 . 0 0 "[ . 1]" 1
355 1 59 ARG QB 1 61 VAL MG2 5.000 . 8.500 5.303 4.271 5.633 . 0 0 "[ . 1]" 1
356 1 59 ARG QD 1 60 CYS H 5.000 . 6.500 5.215 5.129 5.523 . 0 0 "[ . 1]" 1
357 1 59 ARG QD 1 61 VAL MG2 5.000 . 8.400 4.493 4.131 5.726 . 0 0 "[ . 1]" 1
358 1 59 ARG QG 1 60 CYS H 5.000 . 6.500 3.478 3.183 4.479 . 0 0 "[ . 1]" 1
359 1 60 CYS H 1 61 VAL H 5.000 . 5.500 4.425 4.282 4.498 . 0 0 "[ . 1]" 1
360 1 60 CYS H 1 61 VAL MG1 5.000 . 7.500 3.929 3.864 3.989 . 0 0 "[ . 1]" 1
361 1 60 CYS HA 1 61 VAL H 2.900 . 3.200 2.099 2.078 2.144 . 0 0 "[ . 1]" 1
362 1 60 CYS HA 1 61 VAL HA 5.000 . 5.500 4.404 4.388 4.422 . 0 0 "[ . 1]" 1
363 1 60 CYS HA 1 61 VAL MG1 3.600 . 6.000 3.507 3.370 3.640 . 0 0 "[ . 1]" 1
364 1 60 CYS HA 1 61 VAL MG2 2.900 . 5.200 3.771 3.632 3.874 . 0 0 "[ . 1]" 1
365 1 60 CYS QB 1 61 VAL H 5.000 . 6.500 3.137 3.004 3.429 . 0 0 "[ . 1]" 1
366 1 61 VAL HA 1 62 ALA H 2.900 . 3.200 2.271 2.243 2.333 . 0 0 "[ . 1]" 1
367 1 61 VAL HA 1 62 ALA MB 3.600 . 4.900 3.994 3.943 4.064 . 0 0 "[ . 1]" 1
368 1 61 VAL HB 1 62 ALA H 2.900 . 3.200 2.602 2.524 2.675 . 0 0 "[ . 1]" 1
369 1 61 VAL HB 1 62 ALA HA 5.000 . 5.500 4.941 4.877 4.993 . 0 0 "[ . 1]" 1
370 1 61 VAL HB 1 62 ALA MB 3.600 . 5.000 4.163 4.045 4.252 . 0 0 "[ . 1]" 1
371 1 61 VAL HB 1 65 ARG H 5.000 . 5.500 4.727 4.529 5.009 . 0 0 "[ . 1]" 1
372 1 61 VAL HB 1 65 ARG HA 5.000 . 5.500 5.074 4.645 5.393 . 0 0 "[ . 1]" 1
373 1 61 VAL HB 1 65 ARG QD 5.000 . 6.400 3.186 2.395 3.950 . 0 0 "[ . 1]" 1
374 1 61 VAL HB 1 65 ARG QG 5.000 . 6.400 3.948 2.968 4.764 . 0 0 "[ . 1]" 1
375 1 61 VAL MG1 1 62 ALA H 3.600 . 5.900 3.865 3.800 3.920 . 0 0 "[ . 1]" 1
376 1 61 VAL MG1 1 65 ARG H 5.000 . 7.500 5.949 5.765 6.136 . 0 0 "[ . 1]" 1
377 1 61 VAL MG1 1 65 ARG QB 5.000 . 8.400 3.752 3.366 4.289 . 0 0 "[ . 1]" 1
378 1 61 VAL MG1 1 65 ARG QD 2.900 . 6.200 4.077 3.326 4.586 . 0 0 "[ . 1]" 1
379 1 61 VAL MG1 1 66 CYS H 5.000 . 7.500 5.678 5.493 5.894 . 0 0 "[ . 1]" 1
380 1 61 VAL MG2 1 62 ALA H 2.900 . 5.200 3.356 3.248 3.446 . 0 0 "[ . 1]" 1
381 1 61 VAL MG2 1 62 ALA HA 3.600 . 6.100 4.173 4.093 4.268 . 0 0 "[ . 1]" 1
382 1 61 VAL MG2 1 62 ALA MB 3.600 . 6.100 4.195 4.095 4.247 . 0 0 "[ . 1]" 1
383 1 61 VAL MG2 1 63 LEU H 5.000 . 7.500 4.760 4.635 4.837 . 0 0 "[ . 1]" 1
384 1 61 VAL MG2 1 63 LEU HA 3.600 . 6.100 4.043 3.863 4.183 . 0 0 "[ . 1]" 1
385 1 61 VAL MG2 1 65 ARG H 3.600 . 6.000 3.990 3.693 4.171 . 0 0 "[ . 1]" 1
386 1 61 VAL MG2 1 65 ARG QB 3.600 . 7.000 2.948 2.582 3.315 . 0 0 "[ . 1]" 1
387 1 61 VAL MG2 1 65 ARG QD 2.900 . 6.200 4.278 3.753 4.698 . 0 0 "[ . 1]" 1
388 1 61 VAL MG2 1 66 CYS H 3.600 . 6.000 3.361 3.076 3.527 . 0 0 "[ . 1]" 1
389 1 61 VAL MG2 1 67 PRO QD 5.000 . 8.500 2.540 2.161 3.050 . 0 0 "[ . 1]" 1
390 1 62 ALA H 1 65 ARG QD 3.600 . 4.900 2.649 1.858 4.302 . 0 0 "[ . 1]" 1
391 1 62 ALA H 1 65 ARG QG 3.600 . 5.000 3.864 2.727 4.442 . 0 0 "[ . 1]" 1
392 1 62 ALA MB 1 63 LEU H 2.900 . 4.200 2.740 2.623 2.860 . 0 0 "[ . 1]" 1
393 1 62 ALA MB 1 64 GLU H 2.900 . 4.200 3.098 2.973 3.267 . 0 0 "[ . 1]" 1
394 1 62 ALA MB 1 64 GLU QG 2.900 . 5.200 2.312 2.265 2.378 . 0 0 "[ . 1]" 1
395 1 62 ALA MB 1 65 ARG H 3.600 . 4.900 2.732 2.585 2.940 . 0 0 "[ . 1]" 1
396 1 62 ALA MB 1 65 ARG QD 2.900 . 5.200 2.645 2.085 3.902 . 0 0 "[ . 1]" 1
397 1 63 LEU H 1 64 GLU H 3.600 . 4.000 2.992 2.953 3.039 . 0 0 "[ . 1]" 1
398 1 63 LEU HA 1 64 GLU H 3.600 . 4.000 3.586 3.555 3.621 . 0 0 "[ . 1]" 1
399 1 63 LEU HA 1 66 CYS H 3.600 . 4.000 3.271 3.121 3.494 . 0 0 "[ . 1]" 1
400 1 63 LEU QB 1 64 GLU H 3.600 . 5.000 2.431 2.298 2.538 . 0 0 "[ . 1]" 1
401 1 63 LEU MD1 1 64 GLU H 3.600 . 7.100 4.476 4.098 4.715 . 0 0 "[ . 1]" 1
402 1 63 LEU MD1 1 64 GLU QG 5.000 . 8.500 5.707 4.734 6.099 . 0 0 "[ . 1]" 1
403 1 63 LEU MD1 1 93 ARG QD 3.600 . 7.000 2.516 2.006 4.056 . 0 0 "[ . 1]" 1
404 1 63 LEU MD1 1 93 ARG QG 5.000 . 8.500 4.078 3.361 5.380 . 0 0 "[ . 1]" 1
405 1 63 LEU MD2 1 64 GLU H 3.600 . 6.000 4.114 3.867 4.650 . 0 0 "[ . 1]" 1
406 1 63 LEU MD2 1 64 GLU QG 5.000 . 8.500 5.264 4.694 6.084 . 0 0 "[ . 1]" 1
407 1 63 LEU MD2 1 93 ARG QD 5.000 . 8.500 3.761 2.217 4.543 . 0 0 "[ . 1]" 1
408 1 63 LEU MD2 1 93 ARG QG 5.000 . 8.500 5.139 3.878 5.756 . 0 0 "[ . 1]" 1
409 1 63 LEU HG 1 93 ARG QD 5.000 . 6.500 3.735 2.450 4.951 . 0 0 "[ . 1]" 1
410 1 64 GLU H 1 65 ARG H 3.600 . 4.000 2.695 2.626 2.751 . 0 0 "[ . 1]" 1
411 1 64 GLU HA 1 65 ARG H 2.900 . 3.700 3.439 3.400 3.467 . 0 0 "[ . 1]" 1
412 1 64 GLU HA 1 66 CYS H 3.600 . 4.000 3.888 3.778 4.011 0.011 10 0 "[ . 1]" 1
413 1 64 GLU QG 1 65 ARG H 2.900 . 4.200 2.532 2.389 2.590 . 0 0 "[ . 1]" 1
414 1 64 GLU QG 1 65 ARG QD 2.900 . 5.200 3.841 3.338 4.369 . 0 0 "[ . 1]" 1
415 1 65 ARG H 1 66 CYS H 2.900 . 3.200 2.205 2.151 2.295 . 0 0 "[ . 1]" 1
416 1 65 ARG QB 1 66 CYS H 5.000 . 6.500 3.244 3.151 3.380 . 0 0 "[ . 1]" 1
417 1 65 ARG QD 1 66 CYS H 3.600 . 5.500 5.246 5.090 5.349 . 0 0 "[ . 1]" 1
418 1 65 ARG QG 1 66 CYS H 5.000 . 6.500 4.270 4.166 4.362 . 0 0 "[ . 1]" 1
419 1 66 CYS H 1 67 PRO QD 5.000 . 6.500 4.322 4.147 4.393 . 0 0 "[ . 1]" 1
420 1 66 CYS H 1 93 ARG QD 5.000 . 5.000 4.115 3.698 4.587 . 0 0 "[ . 1]" 1
421 1 66 CYS H 1 93 ARG QG 3.600 . 5.000 3.733 3.448 4.247 . 0 0 "[ . 1]" 1
422 1 66 CYS HA 1 67 PRO QD 2.900 . 4.200 2.084 2.039 2.118 . 0 0 "[ . 1]" 1
423 1 66 CYS HA 1 67 PRO QG 3.600 . 5.000 4.011 3.964 4.054 . 0 0 "[ . 1]" 1
424 1 66 CYS QB 1 67 PRO QD 5.000 . 7.500 3.032 2.284 3.637 . 0 0 "[ . 1]" 1
425 1 66 CYS QB 1 93 ARG H 5.000 . 6.500 4.964 4.480 5.243 . 0 0 "[ . 1]" 1
426 1 66 CYS QB 1 93 ARG HA 3.600 . 5.000 4.095 3.815 4.345 . 0 0 "[ . 1]" 1
427 1 66 CYS QB 1 93 ARG QD 3.600 . 6.000 2.573 2.220 3.226 . 0 0 "[ . 1]" 1
428 1 66 CYS QB 1 93 ARG QG 3.600 . 6.000 2.246 1.972 2.451 . 0 0 "[ . 1]" 1
429 1 67 PRO HA 1 68 CYS H 2.900 . 3.200 2.316 2.266 2.372 . 0 0 "[ . 1]" 1
430 1 67 PRO HA 1 76 ALA MB 3.600 . 5.000 4.070 3.927 4.155 . 0 0 "[ . 1]" 1
431 1 67 PRO HA 1 77 PRO QD 3.600 . 5.000 2.860 2.429 3.371 . 0 0 "[ . 1]" 1
432 1 67 PRO QB 1 68 CYS H 2.900 . 4.200 2.769 2.654 2.911 . 0 0 "[ . 1]" 1
433 1 67 PRO QB 1 75 TYR H 3.600 . 5.000 3.966 3.596 4.360 . 0 0 "[ . 1]" 1
434 1 67 PRO QB 1 76 ALA HA 5.000 . 6.500 3.520 3.098 4.092 . 0 0 "[ . 1]" 1
435 1 67 PRO QG 1 69 PHE QE 5.000 . 7.500 3.597 3.077 4.676 . 0 0 "[ . 1]" 1
436 1 67 PRO QG 1 69 PHE HZ 5.000 . 6.500 3.159 2.391 4.184 . 0 0 "[ . 1]" 1
437 1 68 CYS H 1 69 PHE H 5.000 . 5.500 4.553 4.530 4.569 . 0 0 "[ . 1]" 1
438 1 68 CYS H 1 75 TYR H 3.600 . 4.000 3.142 3.015 3.324 . 0 0 "[ . 1]" 1
439 1 68 CYS H 1 75 TYR QB 5.000 . 6.500 3.518 3.213 3.806 . 0 0 "[ . 1]" 1
440 1 68 CYS H 1 75 TYR QD 5.000 . 7.900 4.636 4.396 4.945 . 0 0 "[ . 1]" 1
441 1 68 CYS H 1 76 ALA MB 3.600 . 5.000 4.529 4.406 4.676 . 0 0 "[ . 1]" 1
442 1 68 CYS H 1 77 PRO QD 5.000 . 6.500 4.190 3.901 4.451 . 0 0 "[ . 1]" 1
443 1 68 CYS HA 1 69 PHE H 2.900 . 3.200 2.362 2.272 2.415 . 0 0 "[ . 1]" 1
444 1 68 CYS HA 1 69 PHE QD 3.600 . 6.400 2.953 2.535 3.746 . 0 0 "[ . 1]" 1
445 1 68 CYS HA 1 69 PHE QE 3.600 . 5.000 3.797 3.521 4.364 . 0 0 "[ . 1]" 1
446 1 68 CYS HA 1 95 TRP HE1 3.600 . 4.000 4.216 4.066 4.316 0.316 8 0 "[ . 1]" 1
447 1 68 CYS QB 1 69 PHE H 3.600 . 4.200 2.618 2.377 2.934 . 0 0 "[ . 1]" 1
448 1 68 CYS QB 1 75 TYR QD 5.000 . 8.900 3.467 2.882 3.826 . 0 0 "[ . 1]" 1
449 1 68 CYS QB 1 90 CYS HA 5.000 . 6.500 3.790 3.602 4.036 . 0 0 "[ . 1]" 1
450 1 68 CYS QB 1 90 CYS QB 5.000 . 7.500 2.787 2.184 3.279 . 0 0 "[ . 1]" 1
451 1 68 CYS QB 1 95 TRP HD1 5.000 . 6.500 4.261 3.914 4.586 . 0 0 "[ . 1]" 1
452 1 68 CYS QB 1 95 TRP HE1 3.600 . 5.000 2.587 2.274 2.925 . 0 0 "[ . 1]" 1
453 1 68 CYS QB 1 95 TRP HH2 5.000 . 6.500 3.822 3.553 4.140 . 0 0 "[ . 1]" 1
454 1 68 CYS QB 1 95 TRP HZ2 5.000 . 6.500 2.303 2.245 2.393 . 0 0 "[ . 1]" 1
455 1 69 PHE H 1 70 HIS H 5.000 . 5.500 4.278 4.170 4.353 . 0 0 "[ . 1]" 1
456 1 69 PHE H 1 95 TRP HD1 5.000 . 5.500 4.640 4.356 4.947 . 0 0 "[ . 1]" 1
457 1 69 PHE H 1 95 TRP HE1 2.900 . 3.200 2.664 2.413 3.023 . 0 0 "[ . 1]" 1
458 1 69 PHE H 1 95 TRP HZ2 5.000 . 5.500 3.952 3.618 4.445 . 0 0 "[ . 1]" 1
459 1 69 PHE HA 1 70 HIS H 2.900 . 3.200 2.124 2.100 2.160 . 0 0 "[ . 1]" 1
460 1 69 PHE HA 1 70 HIS HA 5.000 . 5.500 4.408 4.389 4.424 . 0 0 "[ . 1]" 1
461 1 69 PHE HA 1 73 LYS H 5.000 . 5.500 4.708 4.613 4.774 . 0 0 "[ . 1]" 1
462 1 69 PHE HA 1 74 GLU HA 2.900 . 3.200 2.324 2.218 2.475 . 0 0 "[ . 1]" 1
463 1 69 PHE HA 1 74 GLU QG 5.000 . 6.500 3.627 3.297 3.865 . 0 0 "[ . 1]" 1
464 1 69 PHE HA 1 75 TYR H 3.600 . 4.000 3.056 2.886 3.321 . 0 0 "[ . 1]" 1
465 1 69 PHE HA 1 75 TYR QD 3.600 . 6.400 2.709 2.440 2.952 . 0 0 "[ . 1]" 1
466 1 69 PHE HA 1 75 TYR QE 3.600 . 5.000 3.572 3.437 3.715 . 0 0 "[ . 1]" 1
467 1 69 PHE HA 1 95 TRP HZ2 5.000 . 5.500 4.173 3.853 4.477 . 0 0 "[ . 1]" 1
468 1 69 PHE QB 1 70 HIS H 3.600 . 4.200 3.204 3.123 3.318 . 0 0 "[ . 1]" 1
469 1 69 PHE QD 1 70 HIS H 5.000 . 7.900 4.484 4.262 4.706 . 0 0 "[ . 1]" 1
470 1 69 PHE QD 1 74 GLU H 5.000 . 7.900 4.813 4.175 5.507 . 0 0 "[ . 1]" 1
471 1 69 PHE QD 1 74 GLU HA 3.600 . 6.400 3.226 2.631 3.980 . 0 0 "[ . 1]" 1
472 1 69 PHE QD 1 74 GLU QB 5.000 . 8.900 3.371 2.475 4.501 . 0 0 "[ . 1]" 1
473 1 69 PHE QD 1 74 GLU QG 5.000 . 8.900 2.808 2.293 3.538 . 0 0 "[ . 1]" 1
474 1 69 PHE QE 1 74 GLU HA 5.000 . 6.500 4.413 3.838 4.869 . 0 0 "[ . 1]" 1
475 1 69 PHE QE 1 74 GLU QB 3.600 . 6.000 3.455 2.483 4.329 . 0 0 "[ . 1]" 1
476 1 69 PHE QE 1 74 GLU QG 5.000 . 7.500 2.703 2.558 3.245 . 0 0 "[ . 1]" 1
477 1 69 PHE HZ 1 74 GLU QG 3.600 . 5.000 3.911 3.472 4.271 . 0 0 "[ . 1]" 1
478 1 70 HIS H 1 72 GLY H 5.000 . 5.500 4.105 3.956 4.269 . 0 0 "[ . 1]" 1
479 1 70 HIS H 1 73 LYS H 2.900 . 3.200 3.198 3.158 3.224 0.024 5 0 "[ . 1]" 1
480 1 70 HIS H 1 73 LYS QB 5.000 . 6.500 3.630 3.494 3.781 . 0 0 "[ . 1]" 1
481 1 70 HIS H 1 74 GLU H 5.000 . 5.500 4.887 4.770 5.123 . 0 0 "[ . 1]" 1
482 1 70 HIS H 1 74 GLU HA . . 4.000 3.549 3.453 3.782 . 0 0 "[ . 1]" 1
483 1 70 HIS H 1 75 TYR H 5.000 . 5.500 4.172 4.056 4.255 . 0 0 "[ . 1]" 1
484 1 70 HIS H 1 75 TYR QD 3.600 . 5.600 2.671 2.561 2.859 . 0 0 "[ . 1]" 1
485 1 70 HIS H 1 75 TYR QE 2.900 . 4.200 1.917 1.740 2.133 0.060 2 0 "[ . 1]" 1
486 1 70 HIS H 1 81 VAL MG1 5.000 3.200 7.400 5.548 5.351 5.713 . 0 0 "[ . 1]" 1
487 1 70 HIS H 1 81 VAL MG2 5.000 3.200 7.400 6.097 5.983 6.205 . 0 0 "[ . 1]" 1
488 1 70 HIS H 1 95 TRP HZ2 5.000 . 5.500 4.037 3.899 4.174 . 0 0 "[ . 1]" 1
489 1 70 HIS HA 1 73 LYS QB 5.000 . 6.500 5.362 5.215 5.590 . 0 0 "[ . 1]" 1
490 1 70 HIS HA 1 75 TYR QD 5.000 . 7.900 4.934 4.766 5.030 . 0 0 "[ . 1]" 1
491 1 70 HIS HA 1 75 TYR QE 5.000 . 6.500 3.928 3.734 4.171 . 0 0 "[ . 1]" 1
492 1 70 HIS HA 1 81 VAL MG1 5.000 . 7.500 5.949 5.728 6.089 . 0 0 "[ . 1]" 1
493 1 70 HIS HA 1 95 TRP HE1 3.600 . 4.000 4.043 3.968 4.116 0.116 9 0 "[ . 1]" 1
494 1 70 HIS HA 1 95 TRP HZ2 5.000 . 5.500 4.914 4.816 5.054 . 0 0 "[ . 1]" 1
495 1 70 HIS QB 1 75 TYR QD 5.000 . 8.900 3.110 2.939 3.272 . 0 0 "[ . 1]" 1
496 1 70 HIS QB 1 75 TYR QE 3.600 . 6.000 2.292 2.168 2.488 . 0 0 "[ . 1]" 1
497 1 70 HIS QB 1 81 VAL MG1 5.000 . 8.500 3.243 3.020 3.384 . 0 0 "[ . 1]" 1
498 1 70 HIS QB 1 81 VAL MG2 3.600 . 7.000 3.267 3.122 3.380 . 0 0 "[ . 1]" 1
499 1 70 HIS QB 1 83 ILE MG 5.000 . 8.500 6.296 6.236 6.327 . 0 0 "[ . 1]" 1
500 1 70 HIS QB 1 95 TRP HE1 3.600 . 4.200 2.919 2.688 3.222 . 0 0 "[ . 1]" 1
501 1 70 HIS QB 1 95 TRP HZ2 5.000 . 6.500 2.578 2.394 2.795 . 0 0 "[ . 1]" 1
502 1 70 HIS HD2 1 71 GLN QG 5.000 . 6.500 4.232 2.325 5.473 . 0 0 "[ . 1]" 1
503 1 70 HIS HD2 1 81 VAL HB 5.000 . 5.500 4.469 2.814 5.542 0.042 6 0 "[ . 1]" 1
504 1 70 HIS HD2 1 81 VAL MG1 3.600 . 5.900 4.101 2.924 4.605 . 0 0 "[ . 1]" 1
505 1 70 HIS HD2 1 81 VAL MG2 3.600 . 5.900 3.272 2.594 3.769 . 0 0 "[ . 1]" 1
506 1 70 HIS HE1 1 71 GLN QG 5.000 . 6.500 4.033 2.856 5.587 . 0 0 "[ . 1]" 1
507 1 70 HIS HE1 1 81 VAL MG1 5.000 . 7.500 6.208 6.156 6.259 . 0 0 "[ . 1]" 1
508 1 70 HIS HE1 1 81 VAL MG2 5.000 . 7.500 4.463 4.253 4.638 . 0 0 "[ . 1]" 1
509 1 70 HIS HE1 1 83 ILE MD 2.900 . 5.200 2.260 2.191 2.449 . 0 0 "[ . 1]" 1
510 1 70 HIS HE1 1 83 ILE QG 5.000 . 7.500 3.358 2.699 4.115 . 0 0 "[ . 1]" 1
511 1 70 HIS HE1 1 83 ILE MG 2.900 . 5.200 3.416 3.108 4.008 . 0 0 "[ . 1]" 1
512 1 71 GLN HA 1 72 GLY H 5.000 . 5.500 2.863 2.779 2.941 . 0 0 "[ . 1]" 1
513 1 71 GLN HA 1 73 LYS H 5.000 . 5.500 4.174 4.135 4.229 . 0 0 "[ . 1]" 1
514 1 71 GLN QB 1 72 GLY H 5.000 . 6.500 3.885 3.833 3.914 . 0 0 "[ . 1]" 1
515 1 71 GLN QG 1 72 GLY H 5.000 . 6.500 4.539 4.367 4.736 . 0 0 "[ . 1]" 1
516 1 72 GLY H 1 73 LYS H 3.600 . 4.000 2.717 2.672 2.757 . 0 0 "[ . 1]" 1
517 1 72 GLY QA 1 73 LYS H 3.600 . 5.000 2.926 2.921 2.936 . 0 0 "[ . 1]" 1
518 1 73 LYS H 1 74 GLU H 5.000 . 5.500 4.545 4.521 4.560 . 0 0 "[ . 1]" 1
519 1 73 LYS H 1 75 TYR QD 5.000 . 7.900 5.138 4.986 5.280 . 0 0 "[ . 1]" 1
520 1 73 LYS H 1 75 TYR QE 3.600 . 5.000 3.216 3.055 3.303 . 0 0 "[ . 1]" 1
521 1 73 LYS HA 1 74 GLU H 2.900 . 3.200 2.237 2.191 2.306 . 0 0 "[ . 1]" 1
522 1 73 LYS HA 1 74 GLU QB 5.000 . 6.500 4.137 3.990 4.367 . 0 0 "[ . 1]" 1
523 1 73 LYS HA 1 75 TYR QE 5.000 . 6.500 4.394 4.263 4.585 . 0 0 "[ . 1]" 1
524 1 73 LYS QB 1 74 GLU H 2.900 . 4.200 2.912 2.571 3.529 . 0 0 "[ . 1]" 1
525 1 73 LYS QB 1 75 TYR QD 5.000 . 8.900 3.923 3.781 4.070 . 0 0 "[ . 1]" 1
526 1 73 LYS QB 1 75 TYR QE 2.900 . 5.200 2.432 2.268 2.751 . 0 0 "[ . 1]" 1
527 1 73 LYS QD 1 74 GLU H 3.600 . 5.000 4.318 2.681 4.669 . 0 0 "[ . 1]" 1
528 1 73 LYS QD 1 75 TYR QD 5.000 . 8.900 5.465 4.084 6.261 . 0 0 "[ . 1]" 1
529 1 73 LYS QD 1 75 TYR QE 3.600 . 6.000 3.979 2.692 4.664 . 0 0 "[ . 1]" 1
530 1 73 LYS QE 1 74 GLU H 5.000 . 6.500 5.489 4.042 6.070 . 0 0 "[ . 1]" 1
531 1 73 LYS QG 1 74 GLU H 2.900 . 4.200 3.493 2.225 3.999 . 0 0 "[ . 1]" 1
532 1 73 LYS QG 1 75 TYR QD 5.000 . 8.900 5.457 3.832 5.900 . 0 0 "[ . 1]" 1
533 1 73 LYS QG 1 75 TYR QE 5.000 . 7.500 4.141 3.340 4.505 . 0 0 "[ . 1]" 1
534 1 74 GLU H 1 75 TYR H 5.000 . 5.500 4.447 4.439 4.458 . 0 0 "[ . 1]" 1
535 1 74 GLU H 1 75 TYR QD 5.000 . 7.900 4.633 4.550 4.835 . 0 0 "[ . 1]" 1
536 1 74 GLU H 1 75 TYR QE 5.000 . 6.500 4.498 4.405 4.645 . 0 0 "[ . 1]" 1
537 1 74 GLU HA 1 75 TYR H 2.900 . 3.200 2.137 2.125 2.156 . 0 0 "[ . 1]" 1
538 1 74 GLU HA 1 75 TYR QE 5.000 . 6.500 4.039 3.841 4.189 . 0 0 "[ . 1]" 1
539 1 74 GLU QB 1 75 TYR H 3.600 . 5.000 3.515 3.147 3.756 . 0 0 "[ . 1]" 1
540 1 74 GLU QG 1 75 TYR H 3.600 . 5.000 3.205 2.594 4.038 . 0 0 "[ . 1]" 1
541 1 75 TYR H 1 76 ALA H 5.000 . 5.500 4.436 4.430 4.448 . 0 0 "[ . 1]" 1
542 1 75 TYR H 1 95 TRP HH2 5.000 . 5.500 5.087 5.000 5.184 . 0 0 "[ . 1]" 1
543 1 75 TYR HA 1 76 ALA H 2.900 . 3.200 2.527 2.497 2.548 . 0 0 "[ . 1]" 1
544 1 75 TYR HA 1 76 ALA MB 3.600 . 4.900 3.773 3.748 3.807 . 0 0 "[ . 1]" 1
545 1 75 TYR HA 1 81 VAL MG1 5.000 . 7.500 5.360 5.242 5.521 . 0 0 "[ . 1]" 1
546 1 75 TYR HA 1 95 TRP HH2 5.000 . 5.500 4.933 4.794 5.079 . 0 0 "[ . 1]" 1
547 1 75 TYR QB 1 76 ALA H . . 4.200 2.146 2.116 2.187 . 0 0 "[ . 1]" 1
548 1 75 TYR QB 1 76 ALA MB 3.600 . 6.000 3.949 3.888 4.001 . 0 0 "[ . 1]" 1
549 1 75 TYR QB 1 79 GLU H 5.000 . 6.500 4.589 4.511 4.677 . 0 0 "[ . 1]" 1
550 1 75 TYR QB 1 79 GLU QG 5.000 . 7.400 2.801 2.263 3.623 . 0 0 "[ . 1]" 1
551 1 75 TYR QB 1 81 VAL MG1 5.000 . 8.500 3.590 3.441 3.766 . 0 0 "[ . 1]" 1
552 1 75 TYR QB 1 95 TRP HH2 5.000 . 6.400 2.378 2.285 2.495 . 0 0 "[ . 1]" 1
553 1 75 TYR QB 1 95 TRP HZ2 5.000 . 6.500 2.354 2.254 2.516 . 0 0 "[ . 1]" 1
554 1 75 TYR QD 1 76 ALA H 5.000 . 6.400 3.926 3.831 4.070 . 0 0 "[ . 1]" 1
555 1 75 TYR QD 1 76 ALA MB 3.600 . 7.400 5.249 5.155 5.400 . 0 0 "[ . 1]" 1
556 1 75 TYR QD 1 79 GLU QB 3.600 . 7.400 3.552 3.217 3.778 . 0 0 "[ . 1]" 1
557 1 75 TYR QD 1 79 GLU QG 3.600 . 7.400 2.771 2.270 3.416 . 0 0 "[ . 1]" 1
558 1 75 TYR QD 1 80 THR H 5.000 . 7.900 5.582 5.370 5.756 . 0 0 "[ . 1]" 1
559 1 75 TYR QD 1 81 VAL HB 5.000 . 7.900 5.361 5.215 5.611 . 0 0 "[ . 1]" 1
560 1 75 TYR QD 1 81 VAL MG1 3.600 . 8.400 2.869 2.758 3.049 . 0 0 "[ . 1]" 1
561 1 75 TYR QD 1 81 VAL MG2 3.600 . 8.400 4.742 4.606 4.856 . 0 0 "[ . 1]" 1
562 1 75 TYR QD 1 95 TRP HH2 5.000 . 7.900 3.188 3.002 3.435 . 0 0 "[ . 1]" 1
563 1 75 TYR QD 1 95 TRP HZ2 3.600 . 6.400 2.509 2.356 2.599 . 0 0 "[ . 1]" 1
564 1 75 TYR QE 1 81 VAL HA 5.000 . 6.500 5.036 4.849 5.289 . 0 0 "[ . 1]" 1
565 1 75 TYR QE 1 81 VAL HB 5.000 . 6.500 4.347 4.171 4.646 . 0 0 "[ . 1]" 1
566 1 75 TYR QE 1 81 VAL MG1 2.900 . 6.200 2.607 2.388 2.837 . 0 0 "[ . 1]" 1
567 1 75 TYR QE 1 81 VAL MG2 3.600 . 6.900 4.540 4.384 4.671 . 0 0 "[ . 1]" 1
568 1 75 TYR QE 1 95 TRP HH2 5.000 . 6.500 4.394 4.192 4.650 . 0 0 "[ . 1]" 1
569 1 75 TYR QE 1 95 TRP HZ2 3.600 . 5.000 3.951 3.759 4.202 . 0 0 "[ . 1]" 1
570 1 76 ALA H 1 77 PRO QD 5.000 . 6.400 4.390 4.372 4.426 . 0 0 "[ . 1]" 1
571 1 76 ALA H 1 79 GLU H 5.000 . 5.500 4.349 4.262 4.403 . 0 0 "[ . 1]" 1
572 1 76 ALA H 1 79 GLU QB 5.000 . 5.000 2.348 2.290 2.445 . 0 0 "[ . 1]" 1
573 1 76 ALA H 1 79 GLU QG 3.600 . 5.000 3.028 2.564 3.738 . 0 0 "[ . 1]" 1
574 1 76 ALA HA 1 77 PRO QB 5.000 . 6.500 4.854 4.727 4.943 . 0 0 "[ . 1]" 1
575 1 76 ALA HA 1 77 PRO QD 2.900 . 4.200 2.164 2.107 2.241 . 0 0 "[ . 1]" 1
576 1 76 ALA MB 1 77 PRO HA 5.000 . 6.400 4.386 4.356 4.415 . 0 0 "[ . 1]" 1
577 1 76 ALA MB 1 77 PRO QB 5.000 . 7.500 4.267 4.140 4.397 . 0 0 "[ . 1]" 1
578 1 76 ALA MB 1 77 PRO QD 2.900 . 5.200 2.068 2.010 2.137 . 0 0 "[ . 1]" 1
579 1 76 ALA MB 1 77 PRO QG 3.600 . 6.000 3.603 3.309 3.869 . 0 0 "[ . 1]" 1
580 1 76 ALA MB 1 78 GLY H 5.000 . 6.500 5.318 5.229 5.347 . 0 0 "[ . 1]" 1
581 1 76 ALA MB 1 79 GLU H 3.600 . 5.000 4.064 4.000 4.131 . 0 0 "[ . 1]" 1
582 1 76 ALA MB 1 79 GLU QB 5.000 . 7.400 2.862 2.698 3.059 . 0 0 "[ . 1]" 1
583 1 76 ALA MB 1 79 GLU QG 2.900 . 5.200 3.829 3.674 3.920 . 0 0 "[ . 1]" 1
584 1 77 PRO HA 1 78 GLY H 2.900 . 3.200 2.214 2.163 2.249 . 0 0 "[ . 1]" 1
585 1 77 PRO HA 1 78 GLY QA 3.600 . 5.000 3.992 3.962 4.012 . 0 0 "[ . 1]" 1
586 1 77 PRO HA 1 79 GLU H 3.600 . 3.900 3.313 3.242 3.411 . 0 0 "[ . 1]" 1
587 1 77 PRO HA 1 90 CYS H 5.000 . 5.400 4.587 4.498 4.673 . 0 0 "[ . 1]" 1
588 1 77 PRO HA 1 90 CYS QB 5.000 . 6.400 2.240 2.025 2.526 . 0 0 "[ . 1]" 1
589 1 77 PRO QB 1 78 GLY H 3.600 . 5.000 3.264 3.218 3.380 . 0 0 "[ . 1]" 1
590 1 77 PRO QD 1 78 GLY H 5.000 . 6.500 4.989 4.972 5.002 . 0 0 "[ . 1]" 1
591 1 77 PRO QG 1 78 GLY H 5.000 . 6.500 4.748 4.678 4.796 . 0 0 "[ . 1]" 1
592 1 78 GLY H 1 79 GLU H 2.900 . 3.200 2.554 2.499 2.606 . 0 0 "[ . 1]" 1
593 1 78 GLY H 1 89 VAL MG1 2.900 . 5.200 4.124 4.040 4.173 . 0 0 "[ . 1]" 1
594 1 78 GLY H 1 89 VAL MG2 2.900 . 5.200 3.145 2.938 3.369 . 0 0 "[ . 1]" 1
595 1 78 GLY H 1 90 CYS H 5.000 . 5.500 3.585 3.350 3.703 . 0 0 "[ . 1]" 1
596 1 78 GLY H 1 90 CYS HA 5.000 . 5.500 4.520 4.272 4.763 . 0 0 "[ . 1]" 1
597 1 78 GLY H 1 90 CYS QB 5.000 . 5.000 2.418 1.991 2.863 . 0 0 "[ . 1]" 1
598 1 78 GLY H 1 91 ARG H 5.000 . 5.500 4.899 4.758 5.076 . 0 0 "[ . 1]" 1
599 1 78 GLY QA 1 79 GLU H 3.600 . 5.000 2.920 2.907 2.940 . 0 0 "[ . 1]" 1
600 1 78 GLY QA 1 79 GLU HA 5.000 . 6.500 4.085 4.074 4.096 . 0 0 "[ . 1]" 1
601 1 78 GLY QA 1 89 VAL HB 5.000 . 6.500 5.037 4.824 5.311 . 0 0 "[ . 1]" 1
602 1 78 GLY QA 1 89 VAL MG1 2.900 . 6.200 3.510 3.377 3.689 . 0 0 "[ . 1]" 1
603 1 78 GLY QA 1 89 VAL MG2 2.900 . 6.200 2.322 2.163 2.562 . 0 0 "[ . 1]" 1
604 1 78 GLY QA 1 90 CYS QB 5.000 . 7.500 3.975 3.661 4.304 . 0 0 "[ . 1]" 1
605 1 79 GLU H 1 80 THR MG 5.000 . 7.500 4.712 4.621 4.778 . 0 0 "[ . 1]" 1
606 1 79 GLU H 1 89 VAL HA 5.000 . 5.500 4.853 4.755 4.949 . 0 0 "[ . 1]" 1
607 1 79 GLU H 1 89 VAL MG1 3.600 . 6.000 5.135 5.065 5.175 . 0 0 "[ . 1]" 1
608 1 79 GLU H 1 89 VAL MG2 3.600 . 5.900 3.269 3.142 3.382 . 0 0 "[ . 1]" 1
609 1 79 GLU H 1 90 CYS H 5.000 . 5.500 3.342 3.292 3.435 . 0 0 "[ . 1]" 1
610 1 79 GLU H 1 90 CYS QB 3.600 . 5.000 2.585 2.414 2.818 . 0 0 "[ . 1]" 1
611 1 79 GLU HA 1 80 THR H 2.900 . 3.200 2.169 2.142 2.203 . 0 0 "[ . 1]" 1
612 1 79 GLU HA 1 80 THR HA 5.000 . 5.500 4.409 4.382 4.420 . 0 0 "[ . 1]" 1
613 1 79 GLU HA 1 80 THR HB 5.000 . 5.400 5.425 5.267 5.473 0.073 1 0 "[ . 1]" 1
614 1 79 GLU HA 1 80 THR MG 3.600 . 5.900 3.071 3.001 3.133 . 0 0 "[ . 1]" 1
615 1 79 GLU HA 1 89 VAL MG2 3.600 . 6.000 3.590 3.515 3.635 . 0 0 "[ . 1]" 1
616 1 79 GLU QB 1 80 THR H 3.600 . 4.200 3.644 3.532 3.740 . 0 0 "[ . 1]" 1
617 1 79 GLU QG 1 80 THR H 2.900 . 4.200 2.660 2.566 2.743 . 0 0 "[ . 1]" 1
618 1 79 GLU QG 1 80 THR HA 5.000 . 6.400 4.535 4.255 4.948 . 0 0 "[ . 1]" 1
619 1 79 GLU QG 1 80 THR HB 5.000 . 6.500 5.778 5.616 6.015 . 0 0 "[ . 1]" 1
620 1 80 THR H 1 81 VAL H 5.000 . 5.500 4.513 4.487 4.541 . 0 0 "[ . 1]" 1
621 1 80 THR H 1 81 VAL MG1 5.000 . 7.500 4.149 4.077 4.234 . 0 0 "[ . 1]" 1
622 1 80 THR H 1 89 VAL HA 5.000 . 5.500 4.648 4.612 4.670 . 0 0 "[ . 1]" 1
623 1 80 THR HA 1 81 VAL H 2.900 . 3.200 2.164 2.087 2.228 . 0 0 "[ . 1]" 1
624 1 80 THR HA 1 81 VAL HA 3.600 . 4.500 4.410 4.380 4.431 . 0 0 "[ . 1]" 1
625 1 80 THR HA 1 81 VAL MG1 2.900 . 5.200 3.410 3.333 3.495 . 0 0 "[ . 1]" 1
626 1 80 THR HA 1 81 VAL MG2 2.900 . 5.200 3.484 3.369 3.598 . 0 0 "[ . 1]" 1
627 1 80 THR HA 1 88 CYS H . . 4.000 4.455 4.392 4.511 0.511 10 1 "[ . +]" 1
628 1 80 THR HA 1 89 VAL HA 2.900 . 3.700 2.291 2.228 2.325 . 0 0 "[ . 1]" 1
629 1 80 THR HA 1 89 VAL HB 3.600 . 4.000 3.439 3.344 3.523 . 0 0 "[ . 1]" 1
630 1 80 THR HA 1 89 VAL MG1 3.600 . 5.900 4.595 4.523 4.665 . 0 0 "[ . 1]" 1
631 1 80 THR HA 1 89 VAL MG2 2.900 . 5.200 2.476 2.305 2.690 . 0 0 "[ . 1]" 1
632 1 80 THR HA 1 90 CYS H . . 4.000 3.867 3.798 3.928 . 0 0 "[ . 1]" 1
633 1 80 THR HA 1 95 TRP HZ3 3.600 . 3.900 2.826 2.662 2.948 . 0 0 "[ . 1]" 1
634 1 80 THR HB 1 81 VAL H 2.900 . 3.200 2.999 2.923 3.068 . 0 0 "[ . 1]" 1
635 1 80 THR HB 1 81 VAL MG1 3.600 . 6.000 4.925 4.849 4.984 . 0 0 "[ . 1]" 1
636 1 80 THR HB 1 81 VAL MG2 3.600 . 6.000 4.802 4.767 4.843 . 0 0 "[ . 1]" 1
637 1 80 THR HB 1 88 CYS H 3.600 . 4.500 4.611 4.508 4.724 0.224 3 0 "[ . 1]" 1
638 1 80 THR HB 1 89 VAL HA 3.600 . 4.000 3.985 3.755 4.039 0.039 10 0 "[ . 1]" 1
639 1 80 THR HB 1 89 VAL HB 5.000 . 5.500 3.519 3.217 3.703 . 0 0 "[ . 1]" 1
640 1 80 THR HB 1 95 TRP HZ3 5.000 . 5.400 5.027 4.854 5.146 . 0 0 "[ . 1]" 1
641 1 80 THR MG 1 81 VAL HA 3.600 . 5.900 5.224 5.045 5.298 . 0 0 "[ . 1]" 1
642 1 80 THR MG 1 89 VAL H 5.000 . 7.500 5.777 5.570 5.995 . 0 0 "[ . 1]" 1
643 1 80 THR MG 1 89 VAL HA 2.900 . 5.200 3.953 3.794 4.116 . 0 0 "[ . 1]" 1
644 1 80 THR MG 1 89 VAL HB 2.900 . 5.200 3.572 3.294 3.864 . 0 0 "[ . 1]" 1
645 1 80 THR MG 1 90 CYS H 3.600 . 6.000 4.822 4.752 4.884 . 0 0 "[ . 1]" 1
646 1 80 THR MG 1 95 TRP HH2 5.000 . 7.500 6.137 6.008 6.230 . 0 0 "[ . 1]" 1
647 1 81 VAL H 1 82 LYS H 5.000 . 5.500 4.407 4.354 4.463 . 0 0 "[ . 1]" 1
648 1 81 VAL H 1 87 THR HA 5.000 . 5.400 4.492 4.324 4.611 . 0 0 "[ . 1]" 1
649 1 81 VAL H 1 87 THR HB 5.000 . 5.500 5.654 5.569 5.743 0.243 6 0 "[ . 1]" 1
650 1 81 VAL H 1 87 THR MG 2.900 . 5.200 4.190 4.126 4.251 . 0 0 "[ . 1]" 1
651 1 81 VAL H 1 88 CYS H 2.900 . 3.200 2.762 2.636 2.854 . 0 0 "[ . 1]" 1
652 1 81 VAL H 1 88 CYS QB 5.000 . 6.500 3.992 3.956 4.049 . 0 0 "[ . 1]" 1
653 1 81 VAL H 1 89 VAL HA 3.600 . 3.900 3.588 3.497 3.667 . 0 0 "[ . 1]" 1
654 1 81 VAL H 1 89 VAL MG2 5.000 . 7.500 4.338 4.206 4.520 . 0 0 "[ . 1]" 1
655 1 81 VAL H 1 95 TRP HZ3 2.900 . 3.200 3.291 3.214 3.348 0.148 3 0 "[ . 1]" 1
656 1 81 VAL HA 1 82 LYS H 2.900 . 3.200 2.327 2.266 2.367 . 0 0 "[ . 1]" 1
657 1 81 VAL HA 1 82 LYS HA 3.600 . 4.500 4.350 4.317 4.375 . 0 0 "[ . 1]" 1
658 1 81 VAL HA 1 82 LYS QB 3.600 . 4.900 3.947 3.820 3.993 . 0 0 "[ . 1]" 1
659 1 81 VAL HA 1 82 LYS QD 5.000 . 6.400 5.527 5.112 6.020 . 0 0 "[ . 1]" 1
660 1 81 VAL HA 1 82 LYS QG 5.000 . 6.400 5.581 4.398 5.869 . 0 0 "[ . 1]" 1
661 1 81 VAL HA 1 83 ILE MD 5.000 . 7.500 5.791 5.617 5.937 . 0 0 "[ . 1]" 1
662 1 81 VAL HA 1 88 CYS H 5.000 . 5.500 4.709 4.641 4.779 . 0 0 "[ . 1]" 1
663 1 81 VAL HB 1 82 LYS H 2.900 . 3.200 2.800 2.738 2.907 . 0 0 "[ . 1]" 1
664 1 81 VAL HB 1 82 LYS HA 5.000 . 5.500 4.773 4.702 4.823 . 0 0 "[ . 1]" 1
665 1 81 VAL HB 1 82 LYS QB 3.600 . 5.500 4.696 4.631 4.771 . 0 0 "[ . 1]" 1
666 1 81 VAL HB 1 83 ILE MD 5.000 . 7.500 4.256 3.990 4.523 . 0 0 "[ . 1]" 1
667 1 81 VAL HB 1 83 ILE QG 5.000 . 7.500 3.663 3.547 3.822 . 0 0 "[ . 1]" 1
668 1 81 VAL HB 1 95 TRP HH2 5.000 . 5.500 5.080 4.932 5.302 . 0 0 "[ . 1]" 1
669 1 81 VAL MG1 1 82 LYS H 2.900 . 5.200 3.875 3.799 3.972 . 0 0 "[ . 1]" 1
670 1 81 VAL MG1 1 82 LYS HA 5.000 . 7.400 5.555 5.527 5.569 . 0 0 "[ . 1]" 1
671 1 81 VAL MG1 1 82 LYS QB 3.600 . 7.000 5.272 5.210 5.339 . 0 0 "[ . 1]" 1
672 1 81 VAL MG1 1 83 ILE MD 3.600 . 7.900 4.584 4.307 4.740 . 0 0 "[ . 1]" 1
673 1 81 VAL MG1 1 83 ILE QG 3.600 . 8.000 4.658 4.587 4.737 . 0 0 "[ . 1]" 1
674 1 81 VAL MG1 1 83 ILE MG 5.000 . 9.500 6.486 6.380 6.587 . 0 0 "[ . 1]" 1
675 1 81 VAL MG1 1 87 THR HA 5.000 . 7.500 6.054 5.932 6.134 . 0 0 "[ . 1]" 1
676 1 81 VAL MG1 1 88 CYS H 3.600 . 6.000 4.774 4.657 4.850 . 0 0 "[ . 1]" 1
677 1 81 VAL MG1 1 88 CYS QB 2.900 . 6.200 4.514 4.410 4.607 . 0 0 "[ . 1]" 1
678 1 81 VAL MG1 1 89 VAL HA 5.000 . 7.500 4.270 4.133 4.361 . 0 0 "[ . 1]" 1
679 1 81 VAL MG1 1 95 TRP HE1 5.000 . 7.400 5.729 5.394 5.951 . 0 0 "[ . 1]" 1
680 1 81 VAL MG1 1 95 TRP HE3 5.000 . 7.500 4.332 4.049 4.488 . 0 0 "[ . 1]" 1
681 1 81 VAL MG1 1 95 TRP HH2 5.000 . 7.500 2.364 2.197 2.572 . 0 0 "[ . 1]" 1
682 1 81 VAL MG1 1 95 TRP HZ2 3.600 . 6.000 3.839 3.565 4.070 . 0 0 "[ . 1]" 1
683 1 81 VAL MG1 1 95 TRP HZ3 5.000 . 7.500 2.500 2.295 2.661 . 0 0 "[ . 1]" 1
684 1 81 VAL MG2 1 82 LYS H 2.900 . 5.200 3.648 3.581 3.718 . 0 0 "[ . 1]" 1
685 1 81 VAL MG2 1 82 LYS HA 3.600 . 5.900 4.018 3.885 4.121 . 0 0 "[ . 1]" 1
686 1 81 VAL MG2 1 82 LYS QB 3.600 . 7.000 4.844 4.753 4.922 . 0 0 "[ . 1]" 1
687 1 81 VAL MG2 1 82 LYS QD 5.000 . 8.500 5.477 5.197 5.625 . 0 0 "[ . 1]" 1
688 1 81 VAL MG2 1 82 LYS QG 5.000 . 8.500 5.589 5.193 5.748 . 0 0 "[ . 1]" 1
689 1 81 VAL MG2 1 83 ILE H 5.000 . 7.500 4.453 4.341 4.576 . 0 0 "[ . 1]" 1
690 1 81 VAL MG2 1 83 ILE HA 5.000 . 7.500 5.026 4.898 5.184 . 0 0 "[ . 1]" 1
691 1 81 VAL MG2 1 83 ILE HB 5.000 . 7.500 4.518 4.107 4.715 . 0 0 "[ . 1]" 1
692 1 81 VAL MG2 1 83 ILE MD 3.600 . 7.900 2.433 2.308 2.531 . 0 0 "[ . 1]" 1
693 1 81 VAL MG2 1 83 ILE QG 3.600 . 7.900 2.440 2.347 2.573 . 0 0 "[ . 1]" 1
694 1 81 VAL MG2 1 83 ILE MG 5.000 . 9.400 4.636 4.541 4.723 . 0 0 "[ . 1]" 1
695 1 81 VAL MG2 1 87 THR HA 5.000 . 7.400 3.955 3.815 4.069 . 0 0 "[ . 1]" 1
696 1 81 VAL MG2 1 87 THR HB 5.000 . 7.500 5.841 5.644 5.996 . 0 0 "[ . 1]" 1
697 1 81 VAL MG2 1 87 THR MG 3.600 . 7.900 4.861 4.800 4.940 . 0 0 "[ . 1]" 1
698 1 81 VAL MG2 1 88 CYS H 3.600 . 5.900 2.732 2.674 2.774 . 0 0 "[ . 1]" 1
699 1 81 VAL MG2 1 88 CYS HA 5.000 . 7.500 4.304 4.264 4.367 . 0 0 "[ . 1]" 1
700 1 81 VAL MG2 1 88 CYS QB 2.900 . 6.200 2.511 2.401 2.645 . 0 0 "[ . 1]" 1
701 1 81 VAL MG2 1 89 VAL HA 5.000 . 7.500 3.769 3.654 3.904 . 0 0 "[ . 1]" 1
702 1 81 VAL MG2 1 95 TRP HE1 5.000 . 7.400 5.240 5.080 5.404 . 0 0 "[ . 1]" 1
703 1 81 VAL MG2 1 95 TRP HE3 5.000 . 7.400 3.074 2.955 3.219 . 0 0 "[ . 1]" 1
704 1 81 VAL MG2 1 95 TRP HH2 5.000 . 7.500 3.426 3.249 3.556 . 0 0 "[ . 1]" 1
705 1 81 VAL MG2 1 95 TRP HZ2 3.600 . 6.000 4.241 4.136 4.380 . 0 0 "[ . 1]" 1
706 1 81 VAL MG2 1 95 TRP HZ3 5.000 . 7.500 2.490 2.297 2.620 . 0 0 "[ . 1]" 1
707 1 82 LYS HA 1 83 ILE H 2.900 . 3.200 2.167 2.113 2.216 . 0 0 "[ . 1]" 1
708 1 82 LYS HA 1 83 ILE HA 3.600 . 4.500 4.447 4.413 4.484 . 0 0 "[ . 1]" 1
709 1 82 LYS HA 1 83 ILE HB 5.000 . 5.400 4.615 4.543 4.651 . 0 0 "[ . 1]" 1
710 1 82 LYS HA 1 83 ILE QG 5.000 . 7.500 3.508 3.359 3.700 . 0 0 "[ . 1]" 1
711 1 82 LYS HA 1 87 THR HA 2.900 . 3.200 2.252 2.223 2.289 . 0 0 "[ . 1]" 1
712 1 82 LYS HA 1 87 THR MG 2.900 . 5.200 4.347 4.162 4.429 . 0 0 "[ . 1]" 1
713 1 82 LYS HA 1 88 CYS H . . 3.200 3.523 3.464 3.611 0.411 3 0 "[ . 1]" 1
714 1 82 LYS QB 1 87 THR HA 5.000 . 6.500 4.417 4.286 4.500 . 0 0 "[ . 1]" 1
715 1 82 LYS QD 1 87 THR HA 2.900 . 4.200 3.184 2.821 3.304 . 0 0 "[ . 1]" 1
716 1 82 LYS QD 1 87 THR HB 5.000 . 6.500 2.643 2.063 3.779 . 0 0 "[ . 1]" 1
717 1 82 LYS QD 1 88 CYS H 5.000 . 6.500 4.841 4.517 5.175 . 0 0 "[ . 1]" 1
718 1 82 LYS QE 1 85 CYS HA 2.900 . 4.200 3.311 2.310 3.766 . 0 0 "[ . 1]" 1
719 1 82 LYS QE 1 87 THR MG 5.000 . 6.200 4.398 3.482 4.726 . 0 0 "[ . 1]" 1
720 1 82 LYS QG 1 83 ILE H 2.900 . 4.200 2.939 2.500 3.948 . 0 0 "[ . 1]" 1
721 1 82 LYS QG 1 87 THR HB 5.000 . 6.500 3.852 2.713 4.444 . 0 0 "[ . 1]" 1
722 1 83 ILE H 1 87 THR HA 3.600 . 3.900 2.496 2.409 2.595 . 0 0 "[ . 1]" 1
723 1 83 ILE H 1 87 THR HB 3.600 . 4.000 4.225 4.042 4.331 0.331 8 0 "[ . 1]" 1
724 1 83 ILE H 1 87 THR MG 5.000 . 7.500 5.067 4.982 5.110 . 0 0 "[ . 1]" 1
725 1 83 ILE H 1 88 CYS H 5.000 . 5.500 4.206 4.031 4.382 . 0 0 "[ . 1]" 1
726 1 83 ILE H 1 88 CYS QB 5.000 . 6.500 5.194 4.684 5.815 . 0 0 "[ . 1]" 1
727 1 83 ILE HB 1 88 CYS QB 5.000 . 6.500 4.392 3.787 5.328 . 0 0 "[ . 1]" 1
728 1 83 ILE MD 1 88 CYS QB 5.000 . 8.500 2.530 2.091 3.132 . 0 0 "[ . 1]" 1
729 1 83 ILE MD 1 95 TRP QB 3.600 . 7.000 3.986 3.832 4.232 . 0 0 "[ . 1]" 1
730 1 83 ILE MD 1 95 TRP HD1 5.000 . 7.500 5.719 5.501 5.926 . 0 0 "[ . 1]" 1
731 1 83 ILE MD 1 95 TRP HE1 5.000 . 7.500 6.098 5.792 6.194 . 0 0 "[ . 1]" 1
732 1 83 ILE MD 1 95 TRP HE3 3.600 . 6.000 4.758 4.579 4.930 . 0 0 "[ . 1]" 1
733 1 83 ILE MG 1 84 GLY QA 5.000 . 8.500 3.397 3.110 3.648 . 0 0 "[ . 1]" 1
734 1 83 ILE MG 1 86 ASN H 5.000 . 7.400 4.408 4.209 4.721 . 0 0 "[ . 1]" 1
735 1 83 ILE MG 1 86 ASN QB 5.000 . 8.400 4.241 3.443 5.182 . 0 0 "[ . 1]" 1
736 1 84 GLY QA 1 85 CYS H . . 4.200 2.234 2.117 2.471 . 0 0 "[ . 1]" 1
737 1 84 GLY QA 1 85 CYS HA 5.000 . 6.500 4.141 3.984 4.334 . 0 0 "[ . 1]" 1
738 1 84 GLY QA 1 85 CYS QB 5.000 . 7.500 3.811 3.549 4.209 . 0 0 "[ . 1]" 1
739 1 84 GLY QA 1 86 ASN H 5.000 . 6.500 3.341 3.297 3.434 . 0 0 "[ . 1]" 1
740 1 85 CYS H 1 86 ASN H 2.900 . 3.200 2.676 2.169 3.270 0.070 7 0 "[ . 1]" 1
741 1 85 CYS H 1 86 ASN QB 5.000 . 6.500 4.728 4.193 5.285 . 0 0 "[ . 1]" 1
742 1 85 CYS H 1 102 CYS QB 5.000 . 6.500 5.279 4.691 5.916 . 0 0 "[ . 1]" 1
743 1 85 CYS HA 1 86 ASN H 2.900 . 3.200 3.319 3.126 3.490 0.290 7 0 "[ . 1]" 1
744 1 85 CYS HA 1 102 CYS QB 5.000 . 6.500 4.351 2.286 6.010 . 0 0 "[ . 1]" 1
745 1 85 CYS HA 1 103 ASP H 5.000 . 5.500 5.589 5.524 5.690 0.190 10 0 "[ . 1]" 1
746 1 85 CYS QB 1 86 ASN H 5.000 . 5.000 3.431 2.836 3.950 . 0 0 "[ . 1]" 1
747 1 85 CYS QB 1 102 CYS HA 3.600 . 4.900 2.913 2.277 4.235 . 0 0 "[ . 1]" 1
748 1 85 CYS QB 1 102 CYS QB 3.600 . 5.900 2.653 2.209 3.736 . 0 0 "[ . 1]" 1
749 1 86 ASN HA 1 87 THR H 2.900 . 3.200 2.232 2.136 2.335 . 0 0 "[ . 1]" 1
750 1 86 ASN HA 1 87 THR HB 5.000 . 5.400 4.110 3.986 4.273 . 0 0 "[ . 1]" 1
751 1 86 ASN HA 1 87 THR MG 5.000 . 7.500 4.310 4.193 4.415 . 0 0 "[ . 1]" 1
752 1 86 ASN HA 1 98 THR MG 3.600 . 6.000 3.868 2.453 4.827 . 0 0 "[ . 1]" 1
753 1 86 ASN HA 1 100 HIS HD2 3.600 . 4.000 3.194 2.300 4.093 0.093 2 0 "[ . 1]" 1
754 1 86 ASN QB 1 87 THR H 2.900 . 4.200 2.947 2.336 3.695 . 0 0 "[ . 1]" 1
755 1 86 ASN QB 1 87 THR HB 5.000 . 6.500 5.130 4.811 5.524 . 0 0 "[ . 1]" 1
756 1 86 ASN QB 1 98 THR H 5.000 . 6.500 4.231 3.297 5.419 . 0 0 "[ . 1]" 1
757 1 86 ASN QB 1 98 THR MG 5.000 . 8.500 4.098 2.148 5.966 . 0 0 "[ . 1]" 1
758 1 86 ASN QD 1 100 HIS H 5.000 . 7.500 4.400 3.357 5.463 . 0 0 "[ . 1]" 1
759 1 86 ASN QD 1 100 HIS QB 5.000 . 8.500 5.995 4.532 6.668 . 0 0 "[ . 1]" 1
760 1 87 THR H 1 88 CYS H 5.000 . 5.500 4.479 4.446 4.513 . 0 0 "[ . 1]" 1
761 1 87 THR H 1 97 CYS QB 5.000 . 6.500 4.525 4.348 4.721 . 0 0 "[ . 1]" 1
762 1 87 THR H 1 98 THR MG 2.900 . 5.200 3.321 1.701 4.326 0.099 7 0 "[ . 1]" 1
763 1 87 THR HA 1 88 CYS H 2.900 . 3.200 2.193 2.176 2.246 . 0 0 "[ . 1]" 1
764 1 87 THR HA 1 88 CYS QB 5.000 . 6.500 4.029 3.728 4.469 . 0 0 "[ . 1]" 1
765 1 87 THR HB 1 88 CYS H 3.600 . 3.900 4.068 3.978 4.158 0.258 3 0 "[ . 1]" 1
766 1 87 THR HB 1 88 CYS HA 5.000 . 5.500 5.641 5.616 5.664 0.164 1 0 "[ . 1]" 1
767 1 87 THR HB 1 97 CYS HA 5.000 . 6.000 6.216 6.095 6.335 0.335 2 0 "[ . 1]" 1
768 1 87 THR HB 1 98 THR H 5.000 . 5.500 5.199 4.996 5.454 . 0 0 "[ . 1]" 1
769 1 87 THR HB 1 98 THR MG 3.600 . 5.900 4.637 3.626 5.154 . 0 0 "[ . 1]" 1
770 1 87 THR MG 1 88 CYS H 2.900 . 5.200 3.130 3.063 3.194 . 0 0 "[ . 1]" 1
771 1 87 THR MG 1 88 CYS HA 5.000 . 7.500 3.378 3.322 3.440 . 0 0 "[ . 1]" 1
772 1 87 THR MG 1 88 CYS QB 5.000 . 8.500 4.563 4.472 4.701 . 0 0 "[ . 1]" 1
773 1 87 THR MG 1 89 VAL H 5.000 . 7.500 4.676 4.522 4.834 . 0 0 "[ . 1]" 1
774 1 87 THR MG 1 97 CYS HA 5.000 . 8.000 4.093 3.908 4.280 . 0 0 "[ . 1]" 1
775 1 88 CYS H 1 89 VAL H 5.000 . 5.500 4.442 4.432 4.459 . 0 0 "[ . 1]" 1
776 1 88 CYS H 1 89 VAL HA 5.000 . 5.500 4.888 4.844 4.915 . 0 0 "[ . 1]" 1
777 1 88 CYS H 1 95 TRP HE3 5.000 . 5.500 4.757 4.614 4.847 . 0 0 "[ . 1]" 1
778 1 88 CYS H 1 97 CYS HA 5.000 . 5.500 4.434 4.291 4.558 . 0 0 "[ . 1]" 1
779 1 88 CYS H 1 98 THR H 5.000 . 5.500 4.970 4.814 5.120 . 0 0 "[ . 1]" 1
780 1 88 CYS HA 1 89 VAL H 2.900 . 3.200 2.244 2.200 2.325 . 0 0 "[ . 1]" 1
781 1 88 CYS HA 1 89 VAL HA 5.000 . 5.500 4.400 4.373 4.443 . 0 0 "[ . 1]" 1
782 1 88 CYS HA 1 89 VAL HB 5.000 . 5.500 4.062 4.007 4.154 . 0 0 "[ . 1]" 1
783 1 88 CYS HA 1 89 VAL MG1 2.900 . 5.200 4.099 3.960 4.193 . 0 0 "[ . 1]" 1
784 1 88 CYS HA 1 89 VAL MG2 3.600 . 5.900 5.223 5.180 5.280 . 0 0 "[ . 1]" 1
785 1 88 CYS HA 1 95 TRP HA 5.000 . 5.500 5.447 5.372 5.542 0.042 7 0 "[ . 1]" 1
786 1 88 CYS HA 1 95 TRP HE3 5.000 . 5.500 4.099 4.026 4.209 . 0 0 "[ . 1]" 1
787 1 88 CYS HA 1 96 ASN H 5.000 . 5.500 4.026 3.962 4.085 . 0 0 "[ . 1]" 1
788 1 88 CYS HA 1 96 ASN HA 5.000 . 5.500 5.062 5.018 5.136 . 0 0 "[ . 1]" 1
789 1 88 CYS HA 1 96 ASN QB 5.000 . 6.500 4.338 4.151 4.540 . 0 0 "[ . 1]" 1
790 1 88 CYS HA 1 97 CYS HA 2.900 . 3.200 2.229 2.169 2.258 . 0 0 "[ . 1]" 1
791 1 88 CYS HA 1 97 CYS QB 3.600 . 5.000 4.233 4.135 4.294 . 0 0 "[ . 1]" 1
792 1 88 CYS HA 1 98 THR H 2.900 . 3.200 3.374 3.259 3.492 0.292 10 0 "[ . 1]" 1
793 1 88 CYS HA 1 98 THR MG 5.000 . 7.500 5.650 4.420 6.255 . 0 0 "[ . 1]" 1
794 1 88 CYS QB 1 89 VAL H 3.600 . 5.000 2.894 2.476 3.173 . 0 0 "[ . 1]" 1
795 1 88 CYS QB 1 89 VAL HA 5.000 . 6.500 4.071 3.992 4.113 . 0 0 "[ . 1]" 1
796 1 88 CYS QB 1 89 VAL MG1 5.000 . 8.500 4.725 4.365 4.977 . 0 0 "[ . 1]" 1
797 1 88 CYS QB 1 95 TRP H 5.000 . 6.500 5.567 5.228 5.819 . 0 0 "[ . 1]" 1
798 1 88 CYS QB 1 95 TRP HA 3.600 . 5.000 3.935 3.630 4.163 . 0 0 "[ . 1]" 1
799 1 88 CYS QB 1 95 TRP QB 3.600 . 6.000 2.363 2.187 2.501 . 0 0 "[ . 1]" 1
800 1 88 CYS QB 1 95 TRP HE3 3.600 . 5.000 2.310 2.254 2.415 . 0 0 "[ . 1]" 1
801 1 88 CYS QB 1 96 ASN H 5.000 . 6.500 3.619 3.006 4.015 . 0 0 "[ . 1]" 1
802 1 88 CYS QB 1 97 CYS HA 3.600 . 5.000 3.175 2.677 3.516 . 0 0 "[ . 1]" 1
803 1 88 CYS QB 1 97 CYS QB 5.000 . 7.500 3.988 3.787 4.137 . 0 0 "[ . 1]" 1
804 1 89 VAL H 1 90 CYS H 5.000 . 5.500 4.364 4.346 4.383 . 0 0 "[ . 1]" 1
805 1 89 VAL H 1 95 TRP HA 5.000 . 5.500 3.802 3.626 3.988 . 0 0 "[ . 1]" 1
806 1 89 VAL H 1 95 TRP HE3 . . 4.000 2.930 2.818 3.095 . 0 0 "[ . 1]" 1
807 1 89 VAL H 1 96 ASN H 2.900 . 3.200 2.303 2.165 2.456 . 0 0 "[ . 1]" 1
808 1 89 VAL H 1 96 ASN HA 5.000 . 5.500 4.430 4.338 4.569 . 0 0 "[ . 1]" 1
809 1 89 VAL H 1 96 ASN QB 3.600 . 5.000 3.158 3.015 3.284 . 0 0 "[ . 1]" 1
810 1 89 VAL H 1 97 CYS HA 3.600 . 3.900 3.904 3.788 3.960 0.060 2 0 "[ . 1]" 1
811 1 89 VAL H 1 97 CYS QB 5.000 . 6.500 5.579 5.511 5.667 . 0 0 "[ . 1]" 1
812 1 89 VAL H 1 98 THR H 5.000 . 5.500 5.242 5.078 5.407 . 0 0 "[ . 1]" 1
813 1 89 VAL HA 1 90 CYS H 2.900 . 3.200 2.179 2.155 2.199 . 0 0 "[ . 1]" 1
814 1 89 VAL HA 1 90 CYS HA 5.000 . 5.500 4.342 4.321 4.367 . 0 0 "[ . 1]" 1
815 1 89 VAL HA 1 90 CYS QB 5.000 . 6.400 4.179 4.008 4.416 . 0 0 "[ . 1]" 1
816 1 89 VAL HA 1 95 TRP HA 5.000 . 5.500 4.734 4.622 4.868 . 0 0 "[ . 1]" 1
817 1 89 VAL HA 1 95 TRP HE3 5.000 . 5.500 2.815 2.690 2.991 . 0 0 "[ . 1]" 1
818 1 89 VAL HA 1 95 TRP HZ3 5.000 . 5.500 2.311 2.262 2.340 . 0 0 "[ . 1]" 1
819 1 89 VAL HB 1 90 CYS H 2.900 . 4.200 4.224 4.187 4.268 0.068 8 0 "[ . 1]" 1
820 1 89 VAL HB 1 95 TRP HE3 5.000 . 5.500 4.816 4.719 5.011 . 0 0 "[ . 1]" 1
821 1 89 VAL HB 1 95 TRP HZ3 5.000 . 5.500 4.855 4.781 4.900 . 0 0 "[ . 1]" 1
822 1 89 VAL HB 1 96 ASN H 5.000 . 5.500 4.750 4.588 5.019 . 0 0 "[ . 1]" 1
823 1 89 VAL HB 1 96 ASN QB 5.000 . 6.500 4.342 4.160 4.580 . 0 0 "[ . 1]" 1
824 1 89 VAL MG1 1 90 CYS H 2.900 . 5.200 3.423 3.262 3.543 . 0 0 "[ . 1]" 1
825 1 89 VAL MG1 1 90 CYS HA 5.000 . 7.400 4.113 4.038 4.162 . 0 0 "[ . 1]" 1
826 1 89 VAL MG1 1 90 CYS QB 5.000 . 8.400 4.401 4.252 4.562 . 0 0 "[ . 1]" 1
827 1 89 VAL MG1 1 91 ARG H 3.600 . 6.000 3.852 3.752 4.003 . 0 0 "[ . 1]" 1
828 1 89 VAL MG1 1 91 ARG QB 2.900 . 6.200 2.619 2.345 3.004 . 0 0 "[ . 1]" 1
829 1 89 VAL MG1 1 91 ARG QD 3.600 . 6.900 3.605 3.269 3.899 . 0 0 "[ . 1]" 1
830 1 89 VAL MG1 1 91 ARG QG 3.600 . 6.900 3.274 1.989 4.326 . 0 0 "[ . 1]" 1
831 1 89 VAL MG1 1 95 TRP HE3 3.600 . 6.000 4.295 4.219 4.411 . 0 0 "[ . 1]" 1
832 1 89 VAL MG1 1 96 ASN H 2.900 . 5.200 2.876 2.715 3.120 . 0 0 "[ . 1]" 1
833 1 89 VAL MG1 1 96 ASN HA 5.000 . 7.400 4.565 4.455 4.763 . 0 0 "[ . 1]" 1
834 1 89 VAL MG1 1 96 ASN QB 2.900 . 6.200 2.182 2.132 2.229 . 0 0 "[ . 1]" 1
835 1 89 VAL MG1 1 96 ASN QD 5.000 . 9.500 4.253 3.384 4.656 . 0 0 "[ . 1]" 1
836 1 89 VAL MG1 1 97 CYS HA 5.000 . 7.500 5.268 4.949 5.421 . 0 0 "[ . 1]" 1
837 1 89 VAL MG2 1 90 CYS H 2.900 . 5.200 2.416 2.304 2.517 . 0 0 "[ . 1]" 1
838 1 89 VAL MG2 1 90 CYS HA 5.000 . 7.400 4.406 4.312 4.491 . 0 0 "[ . 1]" 1
839 1 89 VAL MG2 1 90 CYS QB 5.000 . 8.400 3.577 3.489 3.675 . 0 0 "[ . 1]" 1
840 1 89 VAL MG2 1 91 ARG H 5.000 . 7.400 4.928 4.816 5.092 . 0 0 "[ . 1]" 1
841 1 89 VAL MG2 1 91 ARG QD 3.600 . 7.000 4.983 4.527 5.279 . 0 0 "[ . 1]" 1
842 1 89 VAL MG2 1 95 TRP HE3 3.600 . 5.900 4.478 4.405 4.584 . 0 0 "[ . 1]" 1
843 1 89 VAL MG2 1 95 TRP HH2 5.000 . 7.500 5.267 5.210 5.329 . 0 0 "[ . 1]" 1
844 1 89 VAL MG2 1 95 TRP HZ3 3.600 . 6.000 3.747 3.686 3.808 . 0 0 "[ . 1]" 1
845 1 89 VAL MG2 1 96 ASN H 3.600 . 6.000 4.873 4.816 4.966 . 0 0 "[ . 1]" 1
846 1 89 VAL MG2 1 96 ASN QB 3.600 . 6.900 4.673 4.579 4.785 . 0 0 "[ . 1]" 1
847 1 90 CYS H 1 91 ARG H 5.000 . 5.500 4.347 4.294 4.401 . 0 0 "[ . 1]" 1
848 1 90 CYS H 1 95 TRP HE3 . . 3.200 3.400 3.269 3.527 0.327 4 0 "[ . 1]" 1
849 1 90 CYS H 1 95 TRP HZ3 . . 3.200 2.776 2.604 2.988 . 0 0 "[ . 1]" 1
850 1 90 CYS HA 1 91 ARG H 2.900 . 3.200 2.131 2.094 2.161 . 0 0 "[ . 1]" 1
851 1 90 CYS HA 1 94 LYS H . . 4.000 4.274 4.175 4.350 0.350 5 0 "[ . 1]" 1
852 1 90 CYS HA 1 95 TRP HA 2.900 . 3.200 2.591 2.386 2.740 . 0 0 "[ . 1]" 1
853 1 90 CYS HA 1 95 TRP HE3 3.600 . 4.100 3.636 3.485 3.799 . 0 0 "[ . 1]" 1
854 1 90 CYS HA 1 96 ASN H 3.600 . 4.000 3.915 3.702 4.039 0.039 2 0 "[ . 1]" 1
855 1 90 CYS QB 1 91 ARG H 5.000 . 6.500 3.742 3.489 3.929 . 0 0 "[ . 1]" 1
856 1 90 CYS QB 1 95 TRP HE3 5.000 . 6.500 4.384 3.888 5.018 . 0 0 "[ . 1]" 1
857 1 90 CYS QB 1 95 TRP HZ3 5.000 . 6.500 3.908 3.398 4.584 . 0 0 "[ . 1]" 1
858 1 91 ARG H 1 92 ASP H 5.000 . 5.500 4.105 4.034 4.159 . 0 0 "[ . 1]" 1
859 1 91 ARG H 1 93 ARG H 5.000 . 5.500 4.482 4.412 4.607 . 0 0 "[ . 1]" 1
860 1 91 ARG H 1 94 LYS H 2.900 . 3.200 3.066 2.953 3.198 . 0 0 "[ . 1]" 1
861 1 91 ARG H 1 95 TRP HA 5.000 . 5.500 3.064 2.930 3.142 . 0 0 "[ . 1]" 1
862 1 91 ARG H 1 95 TRP HE3 5.000 . 5.500 5.101 4.974 5.196 . 0 0 "[ . 1]" 1
863 1 91 ARG H 1 96 ASN H 5.000 . 5.500 3.759 3.640 3.885 . 0 0 "[ . 1]" 1
864 1 91 ARG H 1 96 ASN QD 5.000 . 7.500 4.692 2.864 5.433 . 0 0 "[ . 1]" 1
865 1 91 ARG HA 1 92 ASP H 2.900 . 3.200 2.141 2.122 2.161 . 0 0 "[ . 1]" 1
866 1 91 ARG HA 1 93 ARG H 3.600 . 4.000 4.055 4.019 4.085 0.085 3 0 "[ . 1]" 1
867 1 91 ARG HA 1 94 LYS H 5.000 . 5.500 4.357 4.240 4.418 . 0 0 "[ . 1]" 1
868 1 91 ARG QB 1 92 ASP H 2.900 . 4.200 3.671 3.415 3.852 . 0 0 "[ . 1]" 1
869 1 91 ARG QB 1 93 ARG H 5.000 . 6.500 5.326 5.201 5.447 . 0 0 "[ . 1]" 1
870 1 91 ARG QB 1 94 LYS H 5.000 . 6.500 4.410 4.334 4.524 . 0 0 "[ . 1]" 1
871 1 91 ARG QB 1 96 ASN QB 3.600 . 6.000 2.704 2.276 3.330 . 0 0 "[ . 1]" 1
872 1 91 ARG QB 1 96 ASN QD 5.000 . 7.000 2.996 2.011 3.551 . 0 0 "[ . 1]" 1
873 1 91 ARG QD 1 92 ASP H 5.000 . 6.500 4.422 3.299 4.999 . 0 0 "[ . 1]" 1
874 1 91 ARG QG 1 92 ASP H 3.600 . 5.000 3.487 2.863 4.363 . 0 0 "[ . 1]" 1
875 1 91 ARG QG 1 92 ASP QB 5.000 . 7.500 4.033 2.600 5.441 . 0 0 "[ . 1]" 1
876 1 92 ASP H 1 93 ARG H 2.900 . 3.200 2.697 2.644 2.732 . 0 0 "[ . 1]" 1
877 1 92 ASP H 1 93 ARG HA 5.000 . 5.500 4.929 4.880 4.970 . 0 0 "[ . 1]" 1
878 1 92 ASP H 1 94 LYS H 5.000 . 5.500 3.853 3.798 3.896 . 0 0 "[ . 1]" 1
879 1 92 ASP HA 1 93 ARG H 2.900 . 3.200 2.644 2.624 2.672 . 0 0 "[ . 1]" 1
880 1 92 ASP HA 1 93 ARG HA 3.600 . 5.000 4.708 4.689 4.729 . 0 0 "[ . 1]" 1
881 1 92 ASP HA 1 93 ARG QG 5.000 . 6.500 3.917 2.929 5.660 . 0 0 "[ . 1]" 1
882 1 92 ASP HA 1 94 LYS H . . 4.000 4.029 3.987 4.076 0.076 7 0 "[ . 1]" 1
883 1 92 ASP QB 1 93 ARG H 5.000 . 6.500 3.931 3.911 3.973 . 0 0 "[ . 1]" 1
884 1 92 ASP QB 1 94 LYS H 5.000 . 6.500 3.372 3.265 3.471 . 0 0 "[ . 1]" 1
885 1 92 ASP QB 1 94 LYS QD 5.000 . 7.500 4.223 3.445 5.393 . 0 0 "[ . 1]" 1
886 1 93 ARG H 1 94 LYS H 2.900 . 3.200 2.775 2.745 2.808 . 0 0 "[ . 1]" 1
887 1 93 ARG HA 1 94 LYS H 2.900 . 3.200 3.175 3.101 3.212 0.012 5 0 "[ . 1]" 1
888 1 93 ARG HA 1 94 LYS HA 5.000 . 5.500 4.481 4.463 4.498 . 0 0 "[ . 1]" 1
889 1 93 ARG HA 1 94 LYS QB 5.000 . 6.500 5.059 4.825 5.245 . 0 0 "[ . 1]" 1
890 1 93 ARG QB 1 94 LYS H 5.000 . 6.500 3.590 3.548 3.685 . 0 0 "[ . 1]" 1
891 1 94 LYS H 1 95 TRP H 5.000 . 5.500 4.425 4.407 4.438 . 0 0 "[ . 1]" 1
892 1 94 LYS H 1 96 ASN QD 5.000 . 7.500 5.789 4.219 6.497 . 0 0 "[ . 1]" 1
893 1 94 LYS HA 1 95 TRP H 2.900 . 3.200 2.329 2.278 2.381 . 0 0 "[ . 1]" 1
894 1 94 LYS HA 1 95 TRP QB 5.000 . 6.500 4.337 4.284 4.364 . 0 0 "[ . 1]" 1
895 1 94 LYS HA 1 95 TRP HD1 5.000 . 5.500 3.841 3.737 3.983 . 0 0 "[ . 1]" 1
896 1 94 LYS QB 1 95 TRP H 2.900 . 4.200 2.858 2.431 3.433 . 0 0 "[ . 1]" 1
897 1 94 LYS QD 1 95 TRP H 5.000 . 6.500 4.142 3.170 4.649 . 0 0 "[ . 1]" 1
898 1 94 LYS QE 1 95 TRP H 5.000 . 6.500 5.135 3.509 6.034 . 0 0 "[ . 1]" 1
899 1 94 LYS QG 1 95 TRP H 3.600 . 5.000 3.076 1.898 4.380 . 0 0 "[ . 1]" 1
900 1 94 LYS QG 1 96 ASN QD 5.000 . 8.500 5.457 4.570 6.638 . 0 0 "[ . 1]" 1
901 1 95 TRP H 1 96 ASN H 5.000 . 5.500 4.504 4.480 4.533 . 0 0 "[ . 1]" 1
902 1 95 TRP HA 1 96 ASN H 2.900 . 3.200 2.166 2.155 2.178 . 0 0 "[ . 1]" 1
903 1 95 TRP HA 1 96 ASN QB 3.600 . 5.000 4.122 4.021 4.314 . 0 0 "[ . 1]" 1
904 1 95 TRP QB 1 96 ASN H 5.000 . 6.500 3.148 3.122 3.181 . 0 0 "[ . 1]" 1
905 1 95 TRP HE3 1 96 ASN H . . 3.200 3.350 3.275 3.405 0.205 3 0 "[ . 1]" 1
906 1 97 CYS HA 1 98 THR H 2.900 . 3.200 2.092 2.042 2.164 . 0 0 "[ . 1]" 1
907 1 97 CYS HA 1 98 THR HA 5.000 . 5.500 4.289 4.249 4.347 . 0 0 "[ . 1]" 1
908 1 97 CYS HA 1 98 THR MG 3.600 . 6.000 4.800 3.561 5.351 . 0 0 "[ . 1]" 1
909 1 97 CYS QB 1 98 THR H 2.900 . 4.200 3.039 2.913 3.106 . 0 0 "[ . 1]" 1
910 1 97 CYS QB 1 98 THR HA 5.000 . 6.500 4.597 4.531 4.635 . 0 0 "[ . 1]" 1
911 1 97 CYS QB 1 98 THR MG 5.000 . 8.500 4.668 3.433 5.272 . 0 0 "[ . 1]" 1
912 1 98 THR HA 1 99 ASP H 2.900 . 3.200 3.450 3.416 3.472 0.272 8 0 "[ . 1]" 1
913 1 98 THR HA 1 99 ASP HA 5.000 . 5.400 5.277 5.261 5.298 . 0 0 "[ . 1]" 1
914 1 98 THR HA 1 99 ASP QB 5.000 . 6.500 4.231 4.003 4.489 . 0 0 "[ . 1]" 1
915 1 98 THR HA 1 100 HIS H 3.600 . 4.000 4.164 3.852 4.391 0.391 1 0 "[ . 1]" 1
916 1 98 THR HA 1 100 HIS HD2 5.000 . 5.500 5.474 5.186 5.629 0.129 1 0 "[ . 1]" 1
917 1 98 THR HB 1 99 ASP H 2.900 . 3.200 2.835 2.282 3.562 0.362 7 0 "[ . 1]" 1
918 1 98 THR HB 1 99 ASP HA 5.000 . 5.500 4.929 4.311 5.769 0.269 10 0 "[ . 1]" 1
919 1 98 THR HB 1 100 HIS H . . 4.000 3.259 2.611 3.986 . 0 0 "[ . 1]" 1
920 1 98 THR HB 1 100 HIS QB 5.000 . 6.500 4.286 4.012 4.591 . 0 0 "[ . 1]" 1
921 1 98 THR HB 1 100 HIS HD2 3.600 . 4.000 3.398 2.788 4.067 0.067 7 0 "[ . 1]" 1
922 1 98 THR MG 1 99 ASP H 2.900 . 5.200 2.659 1.601 3.245 0.199 10 0 "[ . 1]" 1
923 1 98 THR MG 1 99 ASP HA 2.900 . 5.200 3.892 3.102 4.390 . 0 0 "[ . 1]" 1
924 1 98 THR MG 1 99 ASP QB 5.000 . 8.500 4.007 3.822 4.165 . 0 0 "[ . 1]" 1
925 1 98 THR MG 1 100 HIS H 5.000 . 7.400 1.801 1.540 1.981 0.260 1 0 "[ . 1]" 1
926 1 98 THR MG 1 100 HIS HD2 3.600 . 6.000 2.616 2.018 3.316 . 0 0 "[ . 1]" 1
927 1 98 THR MG 1 100 HIS HE1 3.600 . 6.000 3.983 3.198 5.087 . 0 0 "[ . 1]" 1
928 1 99 ASP H 1 100 HIS H 2.900 . 3.200 2.596 2.447 2.771 . 0 0 "[ . 1]" 1
929 1 99 ASP H 1 100 HIS HD2 5.000 . 5.500 3.767 3.033 4.721 . 0 0 "[ . 1]" 1
930 1 99 ASP HA 1 100 HIS H 2.900 . 3.200 3.034 2.882 3.251 0.051 10 0 "[ . 1]" 1
931 1 99 ASP QB 1 100 HIS H 5.000 . 6.500 3.732 3.584 3.821 . 0 0 "[ . 1]" 1
932 1 100 HIS HA 1 101 VAL H 2.900 . 3.200 2.420 2.218 2.498 . 0 0 "[ . 1]" 1
933 1 100 HIS QB 1 101 VAL H 2.900 . 4.200 2.418 2.196 2.925 . 0 0 "[ . 1]" 1
934 1 100 HIS QB 1 101 VAL MG2 5.000 . 8.500 4.125 3.025 5.199 . 0 0 "[ . 1]" 1
935 1 101 VAL HA 1 102 CYS H 2.900 . 3.200 2.187 2.136 2.282 . 0 0 "[ . 1]" 1
936 1 101 VAL HA 1 102 CYS QB 5.000 . 6.500 4.320 4.043 4.755 . 0 0 "[ . 1]" 1
937 1 101 VAL HA 1 103 ASP H 5.000 . 5.500 4.695 3.452 5.354 . 0 0 "[ . 1]" 1
938 1 101 VAL HB 1 102 CYS H 3.600 . 4.000 4.053 3.974 4.135 0.135 3 0 "[ . 1]" 1
939 1 101 VAL MG1 1 102 CYS H 2.900 . 5.200 2.936 2.449 3.790 . 0 0 "[ . 1]" 1
940 1 101 VAL MG1 1 102 CYS HA 3.600 . 5.900 4.186 3.431 4.443 . 0 0 "[ . 1]" 1
941 1 101 VAL MG1 1 102 CYS QB 5.000 . 8.500 4.238 3.505 4.998 . 0 0 "[ . 1]" 1
942 1 101 VAL MG1 1 103 ASP H 2.900 . 5.200 3.379 2.349 3.883 . 0 0 "[ . 1]" 1
943 1 101 VAL MG1 1 103 ASP QB 5.000 . 8.500 4.037 2.784 5.065 . 0 0 "[ . 1]" 1
944 1 101 VAL MG2 1 102 CYS H 3.600 . 6.000 3.500 2.114 4.233 . 0 0 "[ . 1]" 1
945 1 101 VAL MG2 1 102 CYS QB 5.000 . 8.400 4.953 3.383 5.918 . 0 0 "[ . 1]" 1
946 1 101 VAL MG2 1 103 ASP H 3.600 . 6.000 4.752 3.859 5.225 . 0 0 "[ . 1]" 1
947 1 102 CYS H 1 103 ASP H 3.600 . 4.000 3.597 1.699 4.187 0.187 7 0 "[ . 1]" 1
948 1 102 CYS HA 1 103 ASP H 2.900 . 3.200 2.529 2.179 3.488 0.288 8 0 "[ . 1]" 1
949 1 102 CYS QB 1 103 ASP H 3.600 . 4.200 3.806 3.076 4.036 . 0 0 "[ . 1]" 1
950 1 102 CYS QB 1 103 ASP HA 5.000 . 6.500 4.919 4.136 5.559 . 0 0 "[ . 1]" 1
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