NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444402 |
2khc   |
16236 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2khc
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 1040
_Distance_constraint_stats_list.Viol_count 1295
_Distance_constraint_stats_list.Viol_total 1122.150
_Distance_constraint_stats_list.Viol_max 1.431
_Distance_constraint_stats_list.Viol_rms 0.0500
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0867
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 0.000 0.000 . 0 "[ . 1]"
1 4 LEU 0.000 0.000 . 0 "[ . 1]"
1 5 PRO 1.243 0.151 10 0 "[ . 1]"
1 6 GLN 1.243 0.151 10 0 "[ . 1]"
1 7 PHE 0.000 0.000 . 0 "[ . 1]"
1 8 GLY 0.000 0.000 . 0 "[ . 1]"
1 9 SER 0.000 0.000 . 0 "[ . 1]"
1 13 LEU 0.002 0.002 3 0 "[ . 1]"
1 14 SER 0.002 0.002 3 0 "[ . 1]"
1 15 THR 0.031 0.031 10 0 "[ . 1]"
1 16 SER 0.031 0.031 10 0 "[ . 1]"
1 32 GLY 2.156 0.231 9 0 "[ . 1]"
1 33 LYS 2.242 0.300 2 0 "[ . 1]"
1 34 GLN 1.803 0.300 2 0 "[ . 1]"
1 35 ILE 0.354 0.073 3 0 "[ . 1]"
1 36 GLU 0.184 0.052 1 0 "[ . 1]"
1 37 GLY 0.086 0.047 9 0 "[ . 1]"
1 38 PRO 0.369 0.084 3 0 "[ . 1]"
1 39 GLU 0.965 0.084 3 0 "[ . 1]"
1 40 GLY 0.646 0.076 6 0 "[ . 1]"
1 41 CYS 0.540 0.094 9 0 "[ . 1]"
1 42 ASN 1.560 0.185 4 0 "[ . 1]"
1 43 LEU 16.049 1.431 5 10 [****+*-***]
1 44 PHE 3.144 0.152 5 0 "[ . 1]"
1 45 ILE 3.487 0.152 5 0 "[ . 1]"
1 46 TYR 5.634 0.255 4 0 "[ . 1]"
1 47 HIS 6.033 0.427 10 0 "[ . 1]"
1 48 LEU 0.698 0.175 1 0 "[ . 1]"
1 49 PRO 0.000 0.000 . 0 "[ . 1]"
1 50 GLN 2.596 0.248 5 0 "[ . 1]"
1 51 GLU 1.961 0.203 5 0 "[ . 1]"
1 52 PHE 3.643 0.216 8 0 "[ . 1]"
1 53 THR 2.051 0.144 1 0 "[ . 1]"
1 54 ASP 1.398 0.112 10 0 "[ . 1]"
1 55 THR 2.993 0.171 4 0 "[ . 1]"
1 56 ASP 1.584 0.151 9 0 "[ . 1]"
1 57 LEU 5.290 0.337 8 0 "[ . 1]"
1 58 ALA 3.434 0.171 4 0 "[ . 1]"
1 59 SER 0.656 0.080 4 0 "[ . 1]"
1 60 THR 2.703 0.238 9 0 "[ . 1]"
1 61 PHE 4.371 0.287 10 0 "[ . 1]"
1 62 LEU 1.684 0.109 3 0 "[ . 1]"
1 63 PRO 0.136 0.038 1 0 "[ . 1]"
1 64 PHE 6.126 0.395 4 0 "[ . 1]"
1 65 GLY 1.761 0.160 5 0 "[ . 1]"
1 66 ASN 1.761 0.160 5 0 "[ . 1]"
1 67 VAL 2.666 0.201 3 0 "[ . 1]"
1 68 ILE 1.662 0.223 9 0 "[ . 1]"
1 69 SER 2.673 0.231 9 0 "[ . 1]"
1 70 ALA 1.604 0.215 8 0 "[ . 1]"
1 71 LYS 0.889 0.122 1 0 "[ . 1]"
1 72 VAL 0.970 0.141 9 0 "[ . 1]"
1 73 PHE 0.328 0.125 8 0 "[ . 1]"
1 74 ILE 0.681 0.091 10 0 "[ . 1]"
1 75 ASP 1.402 0.127 6 0 "[ . 1]"
1 76 LYS 0.977 0.091 6 0 "[ . 1]"
1 77 GLN 2.792 0.376 3 0 "[ . 1]"
1 78 THR 1.687 0.216 9 0 "[ . 1]"
1 79 SER 4.487 0.376 3 0 "[ . 1]"
1 80 LEU 1.361 0.164 4 0 "[ . 1]"
1 81 SER 0.158 0.048 6 0 "[ . 1]"
1 82 LYS 0.565 0.127 6 0 "[ . 1]"
1 83 CYS 0.071 0.035 3 0 "[ . 1]"
1 84 PHE 5.450 0.274 8 0 "[ . 1]"
1 85 GLY 8.071 0.427 10 0 "[ . 1]"
1 86 PHE 2.354 0.136 5 0 "[ . 1]"
1 87 VAL 12.257 1.431 5 10 [****+*-***]
1 88 SER 2.588 0.215 8 0 "[ . 1]"
1 89 PHE 2.920 0.395 4 0 "[ . 1]"
1 90 ASP 1.883 0.201 3 0 "[ . 1]"
1 91 ASN 1.948 0.366 4 0 "[ . 1]"
1 92 PRO 0.000 0.000 . 0 "[ . 1]"
1 93 ASP 0.949 0.147 4 0 "[ . 1]"
1 94 SER 0.234 0.078 7 0 "[ . 1]"
1 95 ALA 3.464 0.287 10 0 "[ . 1]"
1 96 GLN 3.614 0.177 9 0 "[ . 1]"
1 97 VAL 1.665 0.092 2 0 "[ . 1]"
1 98 ALA 2.648 0.163 3 0 "[ . 1]"
1 99 ILE 2.209 0.159 9 0 "[ . 1]"
1 100 LYS 3.009 0.174 2 0 "[ . 1]"
1 101 ALA 2.778 0.174 2 0 "[ . 1]"
1 102 MET 2.683 0.216 8 0 "[ . 1]"
1 103 ASN 1.536 0.196 10 0 "[ . 1]"
1 104 GLY 0.549 0.175 1 0 "[ . 1]"
1 105 PHE 5.030 0.261 6 0 "[ . 1]"
1 106 GLN 2.300 0.235 1 0 "[ . 1]"
1 107 VAL 1.204 0.240 8 0 "[ . 1]"
1 108 GLY 1.597 0.187 1 0 "[ . 1]"
1 109 THR 0.557 0.107 5 0 "[ . 1]"
1 110 LYS 5.462 0.248 5 0 "[ . 1]"
1 111 ARG 3.120 0.153 4 0 "[ . 1]"
1 112 LEU 0.860 0.235 1 0 "[ . 1]"
1 113 LYS 4.332 0.261 6 0 "[ . 1]"
1 114 VAL 8.050 0.267 4 0 "[ . 1]"
1 115 GLN 4.291 0.254 8 0 "[ . 1]"
1 116 LEU 2.290 0.267 4 0 "[ . 1]"
1 117 LYS 1.086 0.185 4 0 "[ . 1]"
1 118 LYS 0.366 0.064 7 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 3 GLY HA2 1 4 LEU H 4.200 . 4.200 3.088 2.830 3.440 . 0 0 "[ . 1]" 1
2 1 5 PRO HB2 1 6 GLN HA 4.200 . 4.200 4.324 4.317 4.351 0.151 10 0 "[ . 1]" 1
3 1 7 PHE HA 1 8 GLY H 3.500 . 3.500 2.294 2.146 2.629 . 0 0 "[ . 1]" 1
4 1 8 GLY H 1 9 SER H 3.500 . 3.500 2.341 2.014 2.693 . 0 0 "[ . 1]" 1
5 1 8 GLY QA 1 9 SER H 3.500 . 3.500 2.810 2.793 2.841 . 0 0 "[ . 1]" 1
6 1 13 LEU QB 1 14 SER H 4.900 . 4.900 3.321 2.583 3.733 . 0 0 "[ . 1]" 1
7 1 13 LEU H 1 14 SER HA 5.000 . 5.000 4.938 4.876 5.002 0.002 3 0 "[ . 1]" 1
8 1 15 THR HA 1 16 SER H 3.500 . 3.500 2.257 2.142 2.407 . 0 0 "[ . 1]" 1
9 1 15 THR HB 1 16 SER H 3.500 . 3.500 3.062 2.467 3.531 0.031 10 0 "[ . 1]" 1
10 1 15 THR HG1 1 16 SER H 4.500 . 4.500 3.436 2.349 3.922 . 0 0 "[ . 1]" 1
11 1 32 GLY H 1 53 THR HA 6.700 . 6.700 6.695 6.076 6.844 0.144 1 0 "[ . 1]" 1
12 1 32 GLY H 1 54 ASP HB3 5.000 . 5.000 4.357 3.765 5.009 0.009 4 0 "[ . 1]" 1
13 1 32 GLY H 1 54 ASP HB2 5.000 . 5.000 4.373 3.480 5.020 0.020 4 0 "[ . 1]" 1
14 1 32 GLY QA 1 55 THR H 6.000 . 6.000 3.511 2.820 5.734 . 0 0 "[ . 1]" 1
15 1 32 GLY H 1 68 ILE MG 7.000 . 7.000 6.298 5.794 7.068 0.068 6 0 "[ . 1]" 1
16 1 32 GLY QA 1 69 SER HA 4.900 . 4.900 4.793 3.709 5.131 0.231 9 0 "[ . 1]" 1
17 1 32 GLY H 1 69 SER HA 6.000 . 6.000 5.239 4.638 6.120 0.120 6 0 "[ . 1]" 1
18 1 32 GLY H 1 70 ALA MB 6.000 . 6.000 4.462 3.962 5.095 . 0 0 "[ . 1]" 1
19 1 33 LYS H 1 33 LYS QG 4.200 . 4.200 2.695 1.650 3.529 . 0 0 "[ . 1]" 1
20 1 32 GLY HA3 1 33 LYS H 3.500 . 3.500 3.109 2.768 3.552 0.052 6 0 "[ . 1]" 1
21 1 32 GLY H 1 33 LYS H 3.900 . 3.900 3.261 2.954 3.883 . 0 0 "[ . 1]" 1
22 1 33 LYS QB 1 68 ILE MG 6.700 . 6.700 4.634 1.822 5.986 . 0 0 "[ . 1]" 1
23 1 33 LYS H 1 69 SER QB 6.700 . 6.700 3.800 3.211 5.519 . 0 0 "[ . 1]" 1
24 1 33 LYS QB 1 69 SER HA 6.700 . 6.700 5.012 4.019 6.473 . 0 0 "[ . 1]" 1
25 1 33 LYS H 1 34 GLN H 5.000 . 5.000 4.314 3.965 4.442 . 0 0 "[ . 1]" 1
26 1 33 LYS HA 1 34 GLN H 3.500 . 3.500 2.590 2.188 2.801 . 0 0 "[ . 1]" 1
27 1 33 LYS QB 1 34 GLN H 5.700 . 5.700 2.230 1.670 3.506 . 0 0 "[ . 1]" 1
28 1 33 LYS QD 1 34 GLN H 5.700 . 5.700 4.420 3.610 5.723 0.023 9 0 "[ . 1]" 1
29 1 33 LYS QG 1 34 GLN H 5.700 . 5.700 4.014 3.528 4.858 . 0 0 "[ . 1]" 1
30 1 33 LYS QG 1 34 GLN HA 5.700 . 5.700 5.759 5.338 6.000 0.300 2 0 "[ . 1]" 1
31 1 34 GLN HA 1 35 ILE MD 5.700 . 5.700 4.795 3.234 5.632 . 0 0 "[ . 1]" 1
32 1 34 GLN HA 1 67 VAL H 6.000 . 6.000 5.879 5.159 6.063 0.063 7 0 "[ . 1]" 1
33 1 34 GLN QB 1 67 VAL H 6.700 . 6.700 4.059 2.961 6.820 0.120 9 0 "[ . 1]" 1
34 1 35 ILE H 1 35 ILE HB 3.500 . 3.500 3.008 2.354 3.573 0.073 3 0 "[ . 1]" 1
35 1 35 ILE H 1 35 ILE MD 5.200 . 5.200 3.399 2.432 3.934 . 0 0 "[ . 1]" 1
36 1 34 GLN H 1 35 ILE H 6.000 . 6.000 4.508 4.126 4.617 . 0 0 "[ . 1]" 1
37 1 34 GLN H 1 35 ILE MD 6.700 . 6.700 6.035 4.325 6.724 0.024 2 0 "[ . 1]" 1
38 1 36 GLU H 1 36 GLU QG 4.200 . 4.200 2.598 1.935 3.442 . 0 0 "[ . 1]" 1
39 1 34 GLN QG 1 36 GLU HA 4.900 . 4.900 4.879 4.706 4.952 0.052 1 0 "[ . 1]" 1
40 1 35 ILE H 1 36 GLU H 6.000 . 6.000 4.531 4.220 4.658 . 0 0 "[ . 1]" 1
41 1 35 ILE HA 1 36 GLU H 4.200 . 4.200 2.479 2.169 2.635 . 0 0 "[ . 1]" 1
42 1 35 ILE MD 1 36 GLU HA 6.000 . 6.000 4.778 3.308 5.996 . 0 0 "[ . 1]" 1
43 1 35 ILE HA 1 36 GLU QB 5.700 . 5.700 4.484 4.231 4.830 . 0 0 "[ . 1]" 1
44 1 36 GLU HA 1 37 GLY H 5.000 . 5.000 2.250 2.174 2.312 . 0 0 "[ . 1]" 1
45 1 36 GLU HG2 1 37 GLY H 5.000 . 5.000 4.116 3.625 4.603 . 0 0 "[ . 1]" 1
46 1 36 GLU QB 1 37 GLY H 4.200 . 4.200 2.831 2.372 3.661 . 0 0 "[ . 1]" 1
47 1 37 GLY QA 1 39 GLU QB 6.700 . 6.700 6.531 6.245 6.747 0.047 9 0 "[ . 1]" 1
48 1 39 GLU H 1 39 GLU QG 4.200 . 4.200 2.009 1.851 2.187 . 0 0 "[ . 1]" 1
49 1 38 PRO QG 1 39 GLU QG 5.700 . 5.700 5.728 5.643 5.784 0.084 3 0 "[ . 1]" 1
50 1 38 PRO QD 1 39 GLU H 6.000 . 6.000 4.892 4.736 4.977 . 0 0 "[ . 1]" 1
51 1 39 GLU QB 1 40 GLY H 4.200 . 4.200 2.273 2.227 2.336 . 0 0 "[ . 1]" 1
52 1 39 GLU QG 1 40 GLY H . . 4.200 3.944 3.773 4.216 0.016 9 0 "[ . 1]" 1
53 1 39 GLU QG 1 40 GLY HA2 5.700 . 5.700 5.742 5.700 5.776 0.076 6 0 "[ . 1]" 1
54 1 39 GLU HA 1 40 GLY H 3.500 . 3.500 2.448 2.418 2.464 . 0 0 "[ . 1]" 1
55 1 39 GLU HA 1 41 CYS H 5.000 . 5.000 3.311 3.242 3.464 . 0 0 "[ . 1]" 1
56 1 39 GLU H 1 40 GLY H 5.000 . 5.000 4.599 4.577 4.620 . 0 0 "[ . 1]" 1
57 1 40 GLY H 1 41 CYS H . . 3.500 2.129 1.947 2.549 . 0 0 "[ . 1]" 1
58 1 40 GLY QA 1 41 CYS H . . 4.200 2.915 2.797 2.958 . 0 0 "[ . 1]" 1
59 1 40 GLY H 1 42 ASN H 5.700 . 5.700 3.138 3.038 3.437 . 0 0 "[ . 1]" 1
60 1 40 GLY QA 1 90 ASP QB 6.400 . 6.400 6.320 6.143 6.451 0.051 10 0 "[ . 1]" 1
61 1 40 GLY H 1 116 LEU QD 7.400 . 7.400 7.066 6.162 7.435 0.035 6 0 "[ . 1]" 1
62 1 40 GLY H 1 117 LYS QG 6.700 . 6.700 5.148 4.610 5.699 . 0 0 "[ . 1]" 1
63 1 39 GLU HB2 1 41 CYS H 6.000 . 6.000 5.246 4.991 5.474 . 0 0 "[ . 1]" 1
64 1 40 GLY HA2 1 41 CYS QB 5.700 . 5.700 5.372 5.155 5.639 . 0 0 "[ . 1]" 1
65 1 41 CYS H 1 42 ASN HA 5.000 . 5.000 4.239 4.142 4.561 . 0 0 "[ . 1]" 1
66 1 41 CYS H 1 43 LEU QD 8.400 . 8.400 7.445 6.801 7.701 . 0 0 "[ . 1]" 1
67 1 41 CYS H 1 89 PHE QD 8.400 . 8.400 5.442 5.116 6.160 . 0 0 "[ . 1]" 1
68 1 41 CYS H 1 89 PHE H 4.200 . 4.200 4.234 4.139 4.294 0.094 9 0 "[ . 1]" 1
69 1 41 CYS H 1 91 ASN H 6.000 . 6.000 4.409 4.012 4.668 . 0 0 "[ . 1]" 1
70 1 41 CYS QB 1 117 LYS H 6.700 . 6.700 6.240 5.969 6.578 . 0 0 "[ . 1]" 1
71 1 41 CYS H 1 117 LYS QG 5.700 . 5.700 5.538 5.055 5.760 0.060 9 0 "[ . 1]" 1
72 1 41 CYS H 1 42 ASN H 3.500 . 3.500 2.672 2.547 3.026 . 0 0 "[ . 1]" 1
73 1 41 CYS QB 1 42 ASN H 5.000 . 5.000 3.901 3.875 3.927 . 0 0 "[ . 1]" 1
74 1 42 ASN H 1 43 LEU QB 5.700 . 5.700 5.232 5.134 5.346 . 0 0 "[ . 1]" 1
75 1 42 ASN HA 1 44 PHE QD 8.400 . 8.400 8.391 8.087 8.462 0.062 10 0 "[ . 1]" 1
76 1 42 ASN H 1 88 SER HA 5.000 . 5.000 5.037 4.949 5.137 0.137 8 0 "[ . 1]" 1
77 1 42 ASN H 1 117 LYS QG 4.900 . 4.900 3.234 2.780 3.824 . 0 0 "[ . 1]" 1
78 1 42 ASN QD 1 117 LYS QG 5.700 . 5.700 3.673 2.524 4.978 . 0 0 "[ . 1]" 1
79 1 42 ASN H 1 118 LYS HA 4.200 . 4.200 3.464 3.093 3.894 . 0 0 "[ . 1]" 1
80 1 43 LEU HA 1 43 LEU HG 3.500 . 3.500 3.130 2.601 3.602 0.102 8 0 "[ . 1]" 1
81 1 42 ASN H 1 43 LEU H 5.000 . 5.000 4.503 4.387 4.582 . 0 0 "[ . 1]" 1
82 1 42 ASN HA 1 43 LEU QB 4.900 . 4.900 3.621 3.537 3.704 . 0 0 "[ . 1]" 1
83 1 42 ASN HA 1 43 LEU H 3.500 . 3.500 2.131 1.972 2.262 . 0 0 "[ . 1]" 1
84 1 43 LEU H 1 44 PHE H 5.000 . 5.000 4.354 4.243 4.412 . 0 0 "[ . 1]" 1
85 1 43 LEU QB 1 45 ILE MD 5.900 . 5.900 3.722 3.023 4.011 . 0 0 "[ . 1]" 1
86 1 43 LEU H 1 45 ILE MD 6.000 . 6.000 5.058 4.813 6.060 0.060 8 0 "[ . 1]" 1
87 1 43 LEU QD 1 45 ILE MD 7.600 . 7.600 2.284 1.608 3.355 . 0 0 "[ . 1]" 1
88 1 43 LEU QD 1 61 PHE HZ 6.600 . 6.600 3.042 1.831 4.902 . 0 0 "[ . 1]" 1
89 1 43 LEU QD 1 61 PHE QE 8.400 . 8.400 2.824 1.826 4.781 . 0 0 "[ . 1]" 1
90 1 43 LEU H 1 61 PHE HZ 6.000 . 6.000 6.019 5.658 6.184 0.184 5 0 "[ . 1]" 1
91 1 43 LEU H 1 61 PHE QE 8.400 . 8.400 5.567 4.360 6.063 . 0 0 "[ . 1]" 1
92 1 43 LEU H 1 86 PHE HA 6.000 . 6.000 5.632 5.345 5.743 . 0 0 "[ . 1]" 1
93 1 43 LEU H 1 86 PHE HB3 6.000 . 6.000 6.044 5.746 6.136 0.136 5 0 "[ . 1]" 1
94 1 43 LEU H 1 87 VAL HA 6.000 . 6.000 5.188 5.020 5.306 . 0 0 "[ . 1]" 1
95 1 43 LEU H 1 87 VAL HB 4.900 . 4.900 4.249 3.726 4.914 0.014 1 0 "[ . 1]" 1
96 1 43 LEU H 1 87 VAL QG 7.400 . 7.400 3.508 2.180 4.501 . 0 0 "[ . 1]" 1
97 1 43 LEU QD 1 87 VAL H 7.400 . 7.400 3.974 2.800 4.504 . 0 0 "[ . 1]" 1
98 1 43 LEU QB 1 87 VAL QG 6.600 . 6.600 2.676 1.857 3.885 . 0 0 "[ . 1]" 1
99 1 43 LEU H 1 87 VAL H 4.200 . 4.200 3.790 3.659 3.946 . 0 0 "[ . 1]" 1
100 1 43 LEU H 1 88 SER HA 3.500 . 3.500 3.194 2.912 3.508 0.008 3 0 "[ . 1]" 1
101 1 43 LEU H 1 89 PHE H 6.000 . 6.000 3.671 3.358 4.018 . 0 0 "[ . 1]" 1
102 1 43 LEU QD 1 89 PHE HB2 6.600 . 6.600 5.785 5.465 6.188 . 0 0 "[ . 1]" 1
103 1 43 LEU QD 1 95 ALA HA 8.400 . 8.400 7.104 6.623 7.621 . 0 0 "[ . 1]" 1
104 1 43 LEU QD 1 96 GLN HA 7.400 . 7.400 5.756 5.204 6.020 . 0 0 "[ . 1]" 1
105 1 43 LEU QD 1 96 GLN H 7.400 . 7.400 7.501 7.285 7.577 0.177 9 0 "[ . 1]" 1
106 1 43 LEU QD 1 99 ILE H 7.400 . 7.400 4.721 4.256 5.179 . 0 0 "[ . 1]" 1
107 1 43 LEU HA 1 44 PHE H 3.500 . 3.500 2.164 2.120 2.229 . 0 0 "[ . 1]" 1
108 1 43 LEU HG 1 44 PHE H 5.000 . 5.000 2.949 2.326 4.335 . 0 0 "[ . 1]" 1
109 1 43 LEU QD 1 44 PHE H 8.400 . 8.400 2.198 1.740 3.025 . 0 0 "[ . 1]" 1
110 1 43 LEU HA 1 44 PHE QB 5.700 . 5.700 3.966 3.894 4.065 . 0 0 "[ . 1]" 1
111 1 44 PHE H 1 45 ILE H 5.000 . 5.000 4.123 4.054 4.183 . 0 0 "[ . 1]" 1
112 1 44 PHE HA 1 45 ILE H 3.500 . 3.500 2.151 2.129 2.182 . 0 0 "[ . 1]" 1
113 1 44 PHE QB 1 45 ILE H . . 4.900 3.872 3.839 3.903 . 0 0 "[ . 1]" 1
114 1 44 PHE QB 1 46 TYR QD 7.400 . 7.400 5.640 5.171 6.041 . 0 0 "[ . 1]" 1
115 1 44 PHE QB 1 46 TYR QE 7.400 . 7.400 6.854 5.681 7.414 0.014 4 0 "[ . 1]" 1
116 1 44 PHE H 1 46 TYR QD 8.400 . 8.400 7.020 6.907 7.257 . 0 0 "[ . 1]" 1
117 1 44 PHE H 1 46 TYR QE 8.400 . 8.400 8.421 8.312 8.462 0.062 8 0 "[ . 1]" 1
118 1 44 PHE QB 1 84 PHE HZ 6.700 . 6.700 5.282 4.973 5.952 . 0 0 "[ . 1]" 1
119 1 44 PHE QB 1 86 PHE HA 5.700 . 5.700 4.488 4.236 4.724 . 0 0 "[ . 1]" 1
120 1 44 PHE H 1 116 LEU HA 4.200 . 4.200 3.856 3.366 4.208 0.008 8 0 "[ . 1]" 1
121 1 44 PHE QB 1 117 LYS QG 6.400 . 6.400 4.849 3.839 5.543 . 0 0 "[ . 1]" 1
122 1 45 ILE H 1 45 ILE HB 4.200 . 4.200 3.707 3.679 3.725 . 0 0 "[ . 1]" 1
123 1 45 ILE H 1 45 ILE MD 4.900 . 4.900 1.976 1.681 3.551 . 0 0 "[ . 1]" 1
124 1 45 ILE HA 1 45 ILE MD 4.200 . 4.200 3.588 3.465 4.156 . 0 0 "[ . 1]" 1
125 1 44 PHE H 1 45 ILE HA 5.000 . 5.000 4.504 4.446 4.571 . 0 0 "[ . 1]" 1
126 1 44 PHE HA 1 45 ILE HA 4.200 . 4.200 4.341 4.332 4.352 0.152 5 0 "[ . 1]" 1
127 1 45 ILE HA 1 46 TYR H 3.500 . 3.500 2.355 2.311 2.393 . 0 0 "[ . 1]" 1
128 1 45 ILE HB 1 46 TYR H . . 4.900 2.833 2.633 3.062 . 0 0 "[ . 1]" 1
129 1 45 ILE H 1 46 TYR H 5.000 . 5.000 4.515 4.507 4.526 . 0 0 "[ . 1]" 1
130 1 45 ILE H 1 61 PHE QE 8.400 . 8.400 7.469 6.691 8.465 0.065 2 0 "[ . 1]" 1
131 1 45 ILE MD 1 61 PHE QE 6.700 . 6.700 4.384 3.713 5.569 . 0 0 "[ . 1]" 1
132 1 45 ILE MD 1 84 PHE HA 6.700 . 6.700 5.168 4.957 5.289 . 0 0 "[ . 1]" 1
133 1 45 ILE HB 1 84 PHE HA 5.000 . 5.000 5.111 5.069 5.139 0.139 10 0 "[ . 1]" 1
134 1 45 ILE HB 1 85 GLY H 5.000 . 5.000 4.240 4.052 4.322 . 0 0 "[ . 1]" 1
135 1 45 ILE H 1 86 PHE HA 3.500 . 3.500 3.387 3.244 3.519 0.019 3 0 "[ . 1]" 1
136 1 45 ILE QG 1 86 PHE HA 5.700 . 5.700 4.074 3.562 4.250 . 0 0 "[ . 1]" 1
137 1 45 ILE MD 1 86 PHE HA 6.700 . 6.700 3.031 2.708 4.511 . 0 0 "[ . 1]" 1
138 1 45 ILE H 1 87 VAL H 6.000 . 6.000 4.275 4.024 4.661 . 0 0 "[ . 1]" 1
139 1 45 ILE H 1 114 VAL QG 7.400 . 7.400 5.302 5.066 5.537 . 0 0 "[ . 1]" 1
140 1 45 ILE MD 1 114 VAL HA 6.700 . 6.700 4.348 4.303 4.420 . 0 0 "[ . 1]" 1
141 1 46 TYR H 1 46 TYR QE 6.600 . 6.600 4.661 4.186 5.925 . 0 0 "[ . 1]" 1
142 1 45 ILE QG 1 46 TYR H 5.700 . 5.700 3.442 3.356 3.527 . 0 0 "[ . 1]" 1
143 1 45 ILE MD 1 46 TYR H 6.000 . 6.000 4.912 4.845 5.017 . 0 0 "[ . 1]" 1
144 1 46 TYR HA 1 84 PHE HA 3.500 . 3.500 2.058 1.912 2.378 . 0 0 "[ . 1]" 1
145 1 46 TYR HA 1 84 PHE QB 4.900 . 4.900 1.535 1.435 1.642 . 0 0 "[ . 1]" 1
146 1 46 TYR H 1 115 GLN H 6.000 . 6.000 4.657 4.589 4.703 . 0 0 "[ . 1]" 1
147 1 46 TYR QB 1 115 GLN QB 5.700 . 5.700 5.723 5.396 5.954 0.254 8 0 "[ . 1]" 1
148 1 46 TYR QB 1 115 GLN QG 4.900 . 4.900 4.907 4.633 4.980 0.080 6 0 "[ . 1]" 1
149 1 46 TYR H 1 47 HIS H 5.000 . 5.000 3.777 3.673 3.909 . 0 0 "[ . 1]" 1
150 1 46 TYR QD 1 47 HIS H 5.900 . 5.900 4.459 4.142 4.617 . 0 0 "[ . 1]" 1
151 1 46 TYR QE 1 47 HIS H 5.900 . 5.900 6.121 6.051 6.155 0.255 4 0 "[ . 1]" 1
152 1 46 TYR HA 1 47 HIS H 3.500 . 3.500 2.237 2.129 2.389 . 0 0 "[ . 1]" 1
153 1 46 TYR HB3 1 47 HIS H 5.000 . 5.000 4.503 4.109 4.646 . 0 0 "[ . 1]" 1
154 1 47 HIS H 1 84 PHE HA 3.500 . 3.500 2.535 2.414 2.633 . 0 0 "[ . 1]" 1
155 1 48 LEU H 1 48 LEU HG 4.200 . 4.200 2.898 1.611 3.719 . 0 0 "[ . 1]" 1
156 1 48 LEU HA 1 48 LEU HG 4.200 . 4.200 3.834 3.512 4.221 0.021 2 0 "[ . 1]" 1
157 1 47 HIS H 1 48 LEU H 4.200 . 4.200 1.822 1.714 2.048 . 0 0 "[ . 1]" 1
158 1 47 HIS HA 1 48 LEU H 4.900 . 4.900 3.430 3.386 3.522 . 0 0 "[ . 1]" 1
159 1 47 HIS HB3 1 48 LEU HA 6.000 . 6.000 3.759 3.667 3.985 . 0 0 "[ . 1]" 1
160 1 47 HIS HB3 1 48 LEU H 6.000 . 6.000 2.775 2.655 2.930 . 0 0 "[ . 1]" 1
161 1 48 LEU H 1 52 PHE HB3 6.000 . 6.000 4.946 4.519 5.156 . 0 0 "[ . 1]" 1
162 1 48 LEU QB 1 52 PHE HA 6.700 . 6.700 4.060 3.803 4.280 . 0 0 "[ . 1]" 1
163 1 48 LEU QB 1 52 PHE HB3 5.700 . 5.700 1.997 1.570 3.268 . 0 0 "[ . 1]" 1
164 1 48 LEU QD 1 52 PHE HB3 7.400 . 7.400 2.741 1.838 4.770 . 0 0 "[ . 1]" 1
165 1 48 LEU QD 1 52 PHE QD 8.400 . 8.400 2.732 1.741 4.143 . 0 0 "[ . 1]" 1
166 1 48 LEU QD 1 52 PHE QE 8.400 . 8.400 3.299 2.184 4.960 . 0 0 "[ . 1]" 1
167 1 48 LEU QD 1 52 PHE HA 7.400 . 7.400 4.368 3.476 4.988 . 0 0 "[ . 1]" 1
168 1 48 LEU H 1 57 LEU QD 7.400 . 7.400 5.288 4.593 6.596 . 0 0 "[ . 1]" 1
169 1 48 LEU HA 1 83 CYS HB3 6.000 . 6.000 5.547 4.814 6.035 0.035 3 0 "[ . 1]" 1
170 1 48 LEU QD 1 83 CYS HA 8.400 . 8.400 4.896 3.830 6.152 . 0 0 "[ . 1]" 1
171 1 48 LEU H 1 84 PHE HA 6.000 . 6.000 3.240 3.006 3.486 . 0 0 "[ . 1]" 1
172 1 48 LEU HG 1 84 PHE HA 6.000 . 6.000 4.298 2.112 6.126 0.126 5 0 "[ . 1]" 1
173 1 48 LEU QB 1 85 GLY HA3 6.700 . 6.700 5.531 4.901 6.722 0.022 1 0 "[ . 1]" 1
174 1 48 LEU QD 1 85 GLY HA3 7.400 . 7.400 3.758 2.052 7.143 . 0 0 "[ . 1]" 1
175 1 48 LEU MD2 1 87 VAL QG 9.400 . 9.400 6.004 4.109 9.412 0.012 1 0 "[ . 1]" 1
176 1 48 LEU QD 1 105 PHE HZ 6.600 . 6.600 4.359 2.625 5.446 . 0 0 "[ . 1]" 1
177 1 48 LEU QB 1 105 PHE HB3 5.700 . 5.700 4.219 3.822 4.760 . 0 0 "[ . 1]" 1
178 1 48 LEU QD 1 105 PHE HB3 6.400 . 6.400 2.999 1.791 4.177 . 0 0 "[ . 1]" 1
179 1 50 GLN H 1 50 GLN QG 4.200 . 4.200 2.453 1.955 3.953 . 0 0 "[ . 1]" 1
180 1 49 PRO HA 1 50 GLN H 3.500 . 3.500 2.395 2.343 2.433 . 0 0 "[ . 1]" 1
181 1 49 PRO QB 1 50 GLN H 5.700 . 5.700 2.405 2.325 2.503 . 0 0 "[ . 1]" 1
182 1 49 PRO QB 1 50 GLN QE 6.400 . 6.400 3.918 1.914 5.163 . 0 0 "[ . 1]" 1
183 1 50 GLN QB 1 51 GLU HA 4.200 . 4.200 4.217 4.054 4.306 0.106 9 0 "[ . 1]" 1
184 1 50 GLN QG 1 51 GLU HA 4.900 . 4.900 3.880 3.278 4.964 0.064 6 0 "[ . 1]" 1
185 1 50 GLN HA 1 51 GLU HA 5.000 . 5.000 4.677 4.636 4.762 . 0 0 "[ . 1]" 1
186 1 50 GLN QE 1 75 ASP HA 6.700 . 6.700 5.259 2.667 6.713 0.013 2 0 "[ . 1]" 1
187 1 50 GLN QE 1 81 SER HA 5.700 . 5.700 5.605 5.403 5.748 0.048 6 0 "[ . 1]" 1
188 1 51 GLU H 1 51 GLU QG 4.200 . 4.200 2.937 1.963 4.015 . 0 0 "[ . 1]" 1
189 1 50 GLN HA 1 51 GLU QB 5.700 . 5.700 5.311 5.147 5.455 . 0 0 "[ . 1]" 1
190 1 50 GLN QE 1 51 GLU QG 5.300 . 5.300 4.052 2.429 5.297 . 0 0 "[ . 1]" 1
191 1 50 GLN QG 1 51 GLU H 4.200 . 4.200 2.743 2.303 4.158 . 0 0 "[ . 1]" 1
192 1 50 GLN H 1 51 GLU H 3.900 . 3.900 2.896 2.778 2.960 . 0 0 "[ . 1]" 1
193 1 50 GLN QE 1 51 GLU H 6.700 . 6.700 4.010 2.628 5.250 . 0 0 "[ . 1]" 1
194 1 50 GLN HA 1 51 GLU H 4.200 . 4.200 3.476 3.462 3.487 . 0 0 "[ . 1]" 1
195 1 51 GLU H 1 52 PHE HA 4.900 . 4.900 5.035 5.010 5.103 0.203 5 0 "[ . 1]" 1
196 1 51 GLU H 1 52 PHE QB 5.700 . 5.700 4.244 4.151 4.307 . 0 0 "[ . 1]" 1
197 1 51 GLU HA 1 52 PHE HB2 6.000 . 6.000 5.718 5.473 6.116 0.116 10 0 "[ . 1]" 1
198 1 51 GLU QB 1 52 PHE HA 6.700 . 6.700 4.161 3.923 4.580 . 0 0 "[ . 1]" 1
199 1 48 LEU QB 1 52 PHE H 5.700 . 5.700 3.543 3.174 3.803 . 0 0 "[ . 1]" 1
200 1 48 LEU QD 1 52 PHE H 7.400 . 7.400 4.124 3.658 4.828 . 0 0 "[ . 1]" 1
201 1 48 LEU HA 1 52 PHE H 6.000 . 6.000 5.679 5.492 6.017 0.017 1 0 "[ . 1]" 1
202 1 51 GLU H 1 52 PHE H 3.500 . 3.500 2.648 2.548 2.788 . 0 0 "[ . 1]" 1
203 1 51 GLU QG 1 52 PHE H 4.900 . 4.900 4.104 2.929 4.717 . 0 0 "[ . 1]" 1
204 1 51 GLU QB 1 52 PHE H 4.900 . 4.900 3.532 3.132 3.963 . 0 0 "[ . 1]" 1
205 1 51 GLU HA 1 52 PHE H 3.900 . 3.900 3.303 3.188 3.405 . 0 0 "[ . 1]" 1
206 1 52 PHE H 1 105 PHE HZ 6.000 . 6.000 5.928 5.363 6.102 0.102 10 0 "[ . 1]" 1
207 1 52 PHE QB 1 105 PHE HZ 6.700 . 6.700 3.849 3.192 4.465 . 0 0 "[ . 1]" 1
208 1 52 PHE H 1 107 VAL QG 7.400 . 7.400 6.814 5.820 7.143 . 0 0 "[ . 1]" 1
209 1 52 PHE H 1 72 VAL QG 7.400 . 7.400 7.059 6.546 7.406 0.006 10 0 "[ . 1]" 1
210 1 53 THR H 1 53 THR HG1 4.500 . 4.500 2.558 1.968 3.233 . 0 0 "[ . 1]" 1
211 1 52 PHE QD 1 53 THR H 7.400 . 7.400 3.337 2.580 3.762 . 0 0 "[ . 1]" 1
212 1 52 PHE QE 1 53 THR H 7.400 . 7.400 4.425 4.152 5.117 . 0 0 "[ . 1]" 1
213 1 52 PHE HB2 1 53 THR H 6.000 . 6.000 4.080 3.537 4.352 . 0 0 "[ . 1]" 1
214 1 52 PHE HB2 1 53 THR HG1 7.000 . 7.000 5.722 4.889 6.469 . 0 0 "[ . 1]" 1
215 1 53 THR HG1 1 54 ASP HA 4.900 . 4.900 4.318 3.815 4.888 . 0 0 "[ . 1]" 1
216 1 53 THR H 1 56 ASP HB3 5.000 . 5.000 4.375 4.117 4.704 . 0 0 "[ . 1]" 1
217 1 53 THR H 1 54 ASP H 6.000 . 6.000 4.515 4.480 4.562 . 0 0 "[ . 1]" 1
218 1 53 THR HG1 1 54 ASP H 4.500 . 4.500 2.470 1.975 3.672 . 0 0 "[ . 1]" 1
219 1 53 THR HA 1 54 ASP HA 4.200 . 4.200 4.256 4.243 4.268 0.068 6 0 "[ . 1]" 1
220 1 53 THR HA 1 54 ASP H 3.500 . 3.500 2.215 2.166 2.269 . 0 0 "[ . 1]" 1
221 1 53 THR HG1 1 54 ASP QB 5.200 . 5.200 4.121 3.427 5.205 0.005 6 0 "[ . 1]" 1
222 1 53 THR HA 1 54 ASP QB 4.900 . 4.900 4.286 3.980 4.722 . 0 0 "[ . 1]" 1
223 1 54 ASP H 1 55 THR H 3.900 . 3.900 2.536 2.500 2.569 . 0 0 "[ . 1]" 1
224 1 54 ASP HA 1 55 THR H 4.200 . 4.200 3.447 3.431 3.471 . 0 0 "[ . 1]" 1
225 1 54 ASP HA 1 55 THR HG1 5.900 . 5.900 4.977 4.787 5.182 . 0 0 "[ . 1]" 1
226 1 54 ASP H 1 56 ASP HB3 6.000 . 6.000 5.965 5.837 6.023 0.023 4 0 "[ . 1]" 1
227 1 54 ASP HA 1 57 LEU QD 6.400 . 6.400 1.784 1.739 1.865 . 0 0 "[ . 1]" 1
228 1 54 ASP QB 1 57 LEU H 4.900 . 4.900 4.881 4.685 5.012 0.112 10 0 "[ . 1]" 1
229 1 54 ASP QB 1 57 LEU QB 5.600 . 5.600 4.899 4.415 5.495 . 0 0 "[ . 1]" 1
230 1 54 ASP HA 1 57 LEU H . . 4.900 3.533 3.391 3.774 . 0 0 "[ . 1]" 1
231 1 54 ASP H 1 70 ALA MB 6.000 . 6.000 5.960 5.433 6.089 0.089 6 0 "[ . 1]" 1
232 1 54 ASP H 1 71 LYS HA 6.000 . 6.000 4.325 3.523 4.835 . 0 0 "[ . 1]" 1
233 1 54 ASP H 1 72 VAL QG 7.400 . 7.400 6.394 5.847 6.850 . 0 0 "[ . 1]" 1
234 1 54 ASP HA 1 72 VAL QG 6.400 . 6.400 6.107 5.865 6.333 . 0 0 "[ . 1]" 1
235 1 55 THR H 1 55 THR HB 4.200 . 4.200 2.515 2.258 2.931 . 0 0 "[ . 1]" 1
236 1 53 THR HA 1 55 THR H 3.900 . 3.900 3.949 3.919 3.983 0.083 8 0 "[ . 1]" 1
237 1 53 THR HG1 1 55 THR H 6.000 . 6.000 2.366 1.877 3.584 . 0 0 "[ . 1]" 1
238 1 53 THR HA 1 55 THR HB 6.000 . 6.000 5.671 5.348 6.025 0.025 5 0 "[ . 1]" 1
239 1 54 ASP H 1 55 THR HG1 4.500 . 4.500 4.188 3.914 4.518 0.018 6 0 "[ . 1]" 1
240 1 54 ASP QB 1 55 THR H 4.900 . 4.900 3.332 2.898 3.562 . 0 0 "[ . 1]" 1
241 1 55 THR HA 1 56 ASP H . . 5.000 3.517 3.506 3.533 . 0 0 "[ . 1]" 1
242 1 55 THR HG1 1 56 ASP HB3 5.900 . 5.900 4.840 3.921 5.612 . 0 0 "[ . 1]" 1
243 1 55 THR HG1 1 58 ALA HA 6.000 . 6.000 5.970 5.794 6.040 0.040 10 0 "[ . 1]" 1
244 1 55 THR HG1 1 58 ALA MB 5.500 . 5.500 3.475 3.211 3.619 . 0 0 "[ . 1]" 1
245 1 55 THR HG1 1 58 ALA H . . 4.500 4.608 4.562 4.671 0.171 4 0 "[ . 1]" 1
246 1 55 THR HA 1 58 ALA H 6.000 . 6.000 3.619 3.562 3.717 . 0 0 "[ . 1]" 1
247 1 33 LYS HG2 1 55 THR HA 5.000 . 5.000 3.495 2.358 5.141 0.141 8 0 "[ . 1]" 1
248 1 33 LYS HG2 1 55 THR HB 5.000 . 5.000 5.058 5.001 5.122 0.122 6 0 "[ . 1]" 1
249 1 33 LYS HA 1 55 THR HG1 4.900 . 4.900 4.580 3.779 5.051 0.151 8 0 "[ . 1]" 1
250 1 55 THR HG1 1 73 PHE QE 9.400 . 9.400 9.093 8.084 9.425 0.025 4 0 "[ . 1]" 1
251 1 55 THR HG1 1 87 VAL QG 8.400 . 8.400 5.481 5.135 5.939 . 0 0 "[ . 1]" 1
252 1 56 ASP H 1 56 ASP HB3 3.500 . 3.500 2.521 2.421 2.639 . 0 0 "[ . 1]" 1
253 1 53 THR H 1 56 ASP H 6.000 . 6.000 4.440 4.156 4.647 . 0 0 "[ . 1]" 1
254 1 53 THR HG1 1 56 ASP H 7.000 . 7.000 3.264 2.047 4.051 . 0 0 "[ . 1]" 1
255 1 53 THR HA 1 56 ASP QB 5.600 . 5.600 5.435 5.240 5.605 0.005 4 0 "[ . 1]" 1
256 1 55 THR HB 1 56 ASP H 5.000 . 5.000 3.387 2.964 4.085 . 0 0 "[ . 1]" 1
257 1 55 THR HG1 1 56 ASP H 7.000 . 7.000 3.017 2.042 3.742 . 0 0 "[ . 1]" 1
258 1 55 THR H 1 56 ASP HA 6.000 . 6.000 5.371 5.330 5.421 . 0 0 "[ . 1]" 1
259 1 55 THR HB 1 56 ASP QB 5.700 . 5.700 4.806 4.276 5.639 . 0 0 "[ . 1]" 1
260 1 56 ASP H 1 57 LEU H . . 4.900 2.757 2.668 2.858 . 0 0 "[ . 1]" 1
261 1 56 ASP H 1 59 SER HB2 5.000 . 5.000 5.027 5.004 5.056 0.056 4 0 "[ . 1]" 1
262 1 56 ASP QB 1 59 SER H 5.600 . 5.600 5.194 5.114 5.284 . 0 0 "[ . 1]" 1
263 1 56 ASP QB 1 59 SER HB3 5.700 . 5.700 5.686 5.476 5.720 0.020 4 0 "[ . 1]" 1
264 1 57 LEU H 1 57 LEU HG 3.900 . 3.900 1.897 1.593 2.186 . 0 0 "[ . 1]" 1
265 1 43 LEU H 1 57 LEU QD 6.600 . 6.600 6.061 5.511 6.403 . 0 0 "[ . 1]" 1
266 1 54 ASP HB3 1 57 LEU QD 7.400 . 7.400 3.290 3.055 3.602 . 0 0 "[ . 1]" 1
267 1 56 ASP HB3 1 57 LEU H 4.200 . 4.200 2.522 2.477 2.573 . 0 0 "[ . 1]" 1
268 1 57 LEU HB3 1 60 THR HB 5.000 . 5.000 5.018 4.742 5.120 0.120 6 0 "[ . 1]" 1
269 1 57 LEU QD 1 61 PHE QD 8.400 . 8.400 4.724 4.336 4.955 . 0 0 "[ . 1]" 1
270 1 57 LEU QD 1 61 PHE QE 8.400 . 8.400 3.752 2.749 5.502 . 0 0 "[ . 1]" 1
271 1 43 LEU HA 1 57 LEU QD 6.600 . 6.600 6.749 6.530 6.937 0.337 8 0 "[ . 1]" 1
272 1 43 LEU QB 1 57 LEU QD 7.400 . 7.400 4.759 4.378 5.161 . 0 0 "[ . 1]" 1
273 1 45 ILE MD 1 57 LEU QD 7.600 . 7.600 1.856 1.481 2.256 . 0 0 "[ . 1]" 1
274 1 45 ILE H 1 57 LEU QD 6.600 . 6.600 4.373 4.075 4.677 . 0 0 "[ . 1]" 1
275 1 57 LEU QD 1 69 SER H 6.600 . 6.600 6.158 5.203 6.716 0.116 7 0 "[ . 1]" 1
276 1 57 LEU QD 1 71 LYS HA 6.600 . 6.600 4.347 4.118 4.620 . 0 0 "[ . 1]" 1
277 1 57 LEU HB3 1 85 GLY HA3 6.000 . 6.000 6.122 6.051 6.273 0.273 8 0 "[ . 1]" 1
278 1 57 LEU QD 1 85 GLY HA3 7.400 . 7.400 2.669 2.464 2.985 . 0 0 "[ . 1]" 1
279 1 57 LEU QB 1 87 VAL HB 4.900 . 4.900 3.710 3.225 4.027 . 0 0 "[ . 1]" 1
280 1 57 LEU QD 1 87 VAL QG 8.400 . 8.400 1.716 1.537 2.033 . 0 0 "[ . 1]" 1
281 1 57 LEU QD 1 105 PHE HB3 7.400 . 7.400 5.481 5.080 6.217 . 0 0 "[ . 1]" 1
282 1 55 THR H 1 58 ALA H 6.000 . 6.000 5.057 5.024 5.091 . 0 0 "[ . 1]" 1
283 1 55 THR HB 1 58 ALA H 6.000 . 6.000 5.900 5.824 6.005 0.005 8 0 "[ . 1]" 1
284 1 57 LEU H 1 58 ALA H 5.000 . 5.000 2.688 2.492 2.779 . 0 0 "[ . 1]" 1
285 1 58 ALA HA 1 67 VAL QG 6.300 . 6.300 3.537 2.794 3.988 . 0 0 "[ . 1]" 1
286 1 58 ALA H 1 67 VAL QG 7.400 . 7.400 5.083 4.280 5.553 . 0 0 "[ . 1]" 1
287 1 58 ALA HA 1 68 ILE MD 7.000 . 7.000 6.942 6.223 7.162 0.162 1 0 "[ . 1]" 1
288 1 58 ALA H 1 69 SER HA 6.000 . 6.000 5.839 5.326 6.070 0.070 10 0 "[ . 1]" 1
289 1 58 ALA HA 1 87 VAL QG 8.400 . 8.400 2.636 1.856 3.097 . 0 0 "[ . 1]" 1
290 1 58 ALA H 1 89 PHE HZ 6.000 . 6.000 5.634 3.471 6.133 0.133 1 0 "[ . 1]" 1
291 1 58 ALA H 1 87 VAL HB 6.000 . 6.000 5.409 4.869 5.999 . 0 0 "[ . 1]" 1
292 1 58 ALA HA 1 89 PHE QE 8.400 . 8.400 3.187 2.009 3.920 . 0 0 "[ . 1]" 1
293 1 55 THR HG1 1 59 SER H 6.000 . 6.000 3.883 3.651 4.184 . 0 0 "[ . 1]" 1
294 1 55 THR HG1 1 59 SER HA 5.200 . 5.200 4.972 4.692 5.263 0.063 8 0 "[ . 1]" 1
295 1 58 ALA MB 1 59 SER QB 7.700 . 7.700 3.891 3.808 4.007 . 0 0 "[ . 1]" 1
296 1 58 ALA HA 1 59 SER H 5.000 . 5.000 3.529 3.494 3.553 . 0 0 "[ . 1]" 1
297 1 58 ALA MB 1 59 SER H 5.200 . 5.200 2.645 2.424 2.775 . 0 0 "[ . 1]" 1
298 1 58 ALA H 1 59 SER QB 5.700 . 5.700 4.443 4.346 4.506 . 0 0 "[ . 1]" 1
299 1 58 ALA H 1 59 SER HA 6.000 . 6.000 5.381 5.263 5.455 . 0 0 "[ . 1]" 1
300 1 59 SER H 1 60 THR H 5.000 . 5.000 2.753 2.575 2.931 . 0 0 "[ . 1]" 1
301 1 59 SER H 1 62 LEU HA 6.000 . 6.000 5.856 5.641 6.080 0.080 4 0 "[ . 1]" 1
302 1 59 SER H 1 62 LEU MD1 8.400 . 8.400 5.284 3.791 6.830 . 0 0 "[ . 1]" 1
303 1 59 SER HA 1 62 LEU HA 6.000 . 6.000 4.421 4.324 4.515 . 0 0 "[ . 1]" 1
304 1 59 SER QB 1 62 LEU HA 6.700 . 6.700 6.196 6.093 6.284 . 0 0 "[ . 1]" 1
305 1 59 SER QB 1 62 LEU MD1 8.400 . 8.400 4.504 3.441 6.149 . 0 0 "[ . 1]" 1
306 1 60 THR H 1 60 THR HB 3.500 . 3.500 2.033 1.986 2.111 . 0 0 "[ . 1]" 1
307 1 56 ASP HA 1 60 THR HB 4.900 . 4.900 5.017 4.988 5.051 0.151 9 0 "[ . 1]" 1
308 1 57 LEU HG 1 60 THR H 6.000 . 6.000 6.013 5.722 6.238 0.238 9 0 "[ . 1]" 1
309 1 57 LEU HG 1 60 THR HB 6.000 . 6.000 5.877 5.614 6.055 0.055 10 0 "[ . 1]" 1
310 1 59 SER QB 1 60 THR H 4.900 . 4.900 2.633 2.385 2.810 . 0 0 "[ . 1]" 1
311 1 60 THR HA 1 61 PHE QE 8.400 . 8.400 7.053 6.197 8.191 . 0 0 "[ . 1]" 1
312 1 60 THR HG1 1 61 PHE QE 7.300 . 7.300 3.740 2.851 4.855 . 0 0 "[ . 1]" 1
313 1 60 THR HG1 1 61 PHE HZ 6.900 . 6.900 5.345 3.511 6.670 . 0 0 "[ . 1]" 1
314 1 60 THR HB 1 61 PHE QD 7.400 . 7.400 4.289 3.214 4.881 . 0 0 "[ . 1]" 1
315 1 60 THR HG1 1 61 PHE QD 7.300 . 7.300 2.422 1.607 3.218 . 0 0 "[ . 1]" 1
316 1 61 PHE H 1 61 PHE QE 5.900 . 5.900 4.458 3.614 5.846 . 0 0 "[ . 1]" 1
317 1 58 ALA MB 1 61 PHE H 6.000 . 6.000 5.038 4.643 5.318 . 0 0 "[ . 1]" 1
318 1 60 THR H 1 61 PHE H 3.900 . 3.900 2.777 2.455 3.002 . 0 0 "[ . 1]" 1
319 1 60 THR HB 1 61 PHE H 4.200 . 4.200 3.007 2.807 3.392 . 0 0 "[ . 1]" 1
320 1 60 THR HA 1 61 PHE H 4.200 . 4.200 3.521 3.377 3.616 . 0 0 "[ . 1]" 1
321 1 60 THR HG1 1 61 PHE H 6.000 . 6.000 2.250 1.874 2.964 . 0 0 "[ . 1]" 1
322 1 58 ALA HA 1 61 PHE H 4.200 . 4.200 4.012 3.707 4.252 0.052 8 0 "[ . 1]" 1
323 1 61 PHE H 1 62 LEU H 3.900 . 3.900 2.617 2.483 2.717 . 0 0 "[ . 1]" 1
324 1 61 PHE QB 1 62 LEU H . . 5.700 3.588 3.194 3.888 . 0 0 "[ . 1]" 1
325 1 61 PHE QB 1 62 LEU HA 4.900 . 4.900 4.248 3.735 4.831 . 0 0 "[ . 1]" 1
326 1 61 PHE HZ 1 87 VAL QG 8.400 . 8.400 2.839 1.647 5.222 . 0 0 "[ . 1]" 1
327 1 61 PHE QB 1 89 PHE QE 6.400 . 6.400 3.346 1.865 5.323 . 0 0 "[ . 1]" 1
328 1 62 LEU H 1 62 LEU HG 3.900 . 3.900 3.526 2.913 3.913 0.013 8 0 "[ . 1]" 1
329 1 62 LEU HA 1 62 LEU HG 3.500 . 3.500 2.776 2.274 3.602 0.102 5 0 "[ . 1]" 1
330 1 58 ALA MB 1 62 LEU H 4.900 . 4.900 4.937 4.892 4.972 0.072 2 0 "[ . 1]" 1
331 1 59 SER HB3 1 62 LEU QD 7.400 . 7.400 4.234 3.684 4.785 . 0 0 "[ . 1]" 1
332 1 59 SER HA 1 62 LEU QD 7.400 . 7.400 2.496 1.851 3.167 . 0 0 "[ . 1]" 1
333 1 59 SER HA 1 62 LEU H 6.000 . 6.000 3.613 3.378 3.827 . 0 0 "[ . 1]" 1
334 1 59 SER HB3 1 62 LEU QB 6.700 . 6.700 4.801 4.313 5.508 . 0 0 "[ . 1]" 1
335 1 59 SER HA 1 62 LEU QB 5.700 . 5.700 2.768 2.073 3.682 . 0 0 "[ . 1]" 1
336 1 60 THR H 1 62 LEU H 5.000 . 5.000 3.883 3.651 4.159 . 0 0 "[ . 1]" 1
337 1 60 THR HG1 1 62 LEU H 5.200 . 5.200 4.127 3.960 4.480 . 0 0 "[ . 1]" 1
338 1 61 PHE QD 1 62 LEU H 7.400 . 7.400 4.141 3.671 4.816 . 0 0 "[ . 1]" 1
339 1 61 PHE H 1 62 LEU HG 6.000 . 6.000 5.747 4.905 6.078 0.078 10 0 "[ . 1]" 1
340 1 61 PHE QD 1 62 LEU QD 8.400 . 8.400 5.616 4.726 6.020 . 0 0 "[ . 1]" 1
341 1 62 LEU HG 1 63 PRO QG 6.700 . 6.700 5.653 2.989 6.738 0.038 1 0 "[ . 1]" 1
342 1 62 LEU H 1 63 PRO HA 6.000 . 6.000 5.896 5.727 5.987 . 0 0 "[ . 1]" 1
343 1 62 LEU H 1 87 VAL QG 6.600 . 6.600 5.898 5.042 6.291 . 0 0 "[ . 1]" 1
344 1 62 LEU H 1 89 PHE QD 7.400 . 7.400 6.628 5.327 7.202 . 0 0 "[ . 1]" 1
345 1 62 LEU H 1 63 PRO QB 5.700 . 5.700 5.584 5.423 5.723 0.023 7 0 "[ . 1]" 1
346 1 64 PHE H 1 64 PHE QE 7.400 . 7.400 4.798 3.892 5.388 . 0 0 "[ . 1]" 1
347 1 62 LEU HA 1 64 PHE H 6.000 . 6.000 3.503 3.232 3.743 . 0 0 "[ . 1]" 1
348 1 63 PRO HA 1 64 PHE H 6.000 . 6.000 3.499 3.433 3.639 . 0 0 "[ . 1]" 1
349 1 63 PRO QB 1 64 PHE H 6.700 . 6.700 2.747 2.399 3.227 . 0 0 "[ . 1]" 1
350 1 64 PHE H 1 65 GLY HA2 6.000 . 6.000 5.366 5.235 5.606 . 0 0 "[ . 1]" 1
351 1 64 PHE QB 1 87 VAL QG 8.400 . 8.400 5.502 4.756 6.609 . 0 0 "[ . 1]" 1
352 1 64 PHE H 1 91 ASN QB 5.700 . 5.700 5.126 4.867 5.250 . 0 0 "[ . 1]" 1
353 1 64 PHE HA 1 97 VAL QG 8.400 . 8.400 6.137 5.646 6.433 . 0 0 "[ . 1]" 1
354 1 64 PHE QB 1 98 ALA MB 5.700 . 5.700 2.635 2.270 2.830 . 0 0 "[ . 1]" 1
355 1 65 GLY H 1 66 ASN H 4.200 . 4.200 4.170 3.788 4.360 0.160 5 0 "[ . 1]" 1
356 1 64 PHE QD 1 65 GLY H 6.600 . 6.600 3.425 1.111 4.659 . 0 0 "[ . 1]" 1
357 1 64 PHE H 1 65 GLY H 4.200 . 4.200 3.520 3.055 3.791 . 0 0 "[ . 1]" 1
358 1 64 PHE QE 1 65 GLY H 6.600 . 6.600 4.914 2.987 6.228 . 0 0 "[ . 1]" 1
359 1 65 GLY H 1 66 ASN HA 6.000 . 6.000 5.646 4.825 6.143 0.143 1 0 "[ . 1]" 1
360 1 64 PHE HA 1 65 GLY H 4.900 . 4.900 2.946 2.523 3.611 . 0 0 "[ . 1]" 1
361 1 65 GLY H 1 95 ALA HA 6.000 . 6.000 4.871 4.598 5.417 . 0 0 "[ . 1]" 1
362 1 64 PHE QB 1 65 GLY H 5.700 . 5.700 3.553 2.584 4.075 . 0 0 "[ . 1]" 1
363 1 65 GLY QA 1 66 ASN H . . 4.200 2.078 1.833 2.215 . 0 0 "[ . 1]" 1
364 1 64 PHE H 1 65 GLY QA 6.700 . 6.700 4.940 4.847 5.033 . 0 0 "[ . 1]" 1
365 1 66 ASN H 1 90 ASP H 5.000 . 5.000 3.867 2.669 4.726 . 0 0 "[ . 1]" 1
366 1 66 ASN H 1 91 ASN H 6.000 . 6.000 5.178 4.813 5.420 . 0 0 "[ . 1]" 1
367 1 66 ASN H 1 91 ASN QB 5.700 . 5.700 3.347 2.855 3.736 . 0 0 "[ . 1]" 1
368 1 67 VAL H 1 67 VAL HB 4.200 . 4.200 3.602 2.965 3.759 . 0 0 "[ . 1]" 1
369 1 66 ASN H 1 67 VAL H 5.000 . 5.000 4.374 4.193 4.589 . 0 0 "[ . 1]" 1
370 1 66 ASN HA 1 67 VAL H 4.200 . 4.200 2.164 2.108 2.255 . 0 0 "[ . 1]" 1
371 1 66 ASN HA 1 67 VAL QG 8.400 . 8.400 3.255 3.018 3.391 . 0 0 "[ . 1]" 1
372 1 67 VAL QG 1 69 SER HA 8.400 . 8.400 5.252 4.009 5.778 . 0 0 "[ . 1]" 1
373 1 67 VAL QG 1 70 ALA MB 8.400 . 8.400 7.106 6.376 7.504 . 0 0 "[ . 1]" 1
374 1 32 GLY H 1 67 VAL QG 8.400 . 8.400 6.831 6.029 7.692 . 0 0 "[ . 1]" 1
375 1 33 LYS HG2 1 67 VAL QG 7.400 . 7.400 3.874 3.264 5.107 . 0 0 "[ . 1]" 1
376 1 33 LYS QB 1 67 VAL H 6.700 . 6.700 4.836 4.250 6.628 . 0 0 "[ . 1]" 1
377 1 59 SER QB 1 67 VAL QG 8.400 . 8.400 5.148 4.451 5.569 . 0 0 "[ . 1]" 1
378 1 61 PHE QE 1 67 VAL HA 8.400 . 8.400 6.557 5.352 7.565 . 0 0 "[ . 1]" 1
379 1 61 PHE QB 1 67 VAL QG 8.400 . 8.400 4.817 3.582 5.666 . 0 0 "[ . 1]" 1
380 1 62 LEU HG 1 67 VAL QG 7.400 . 7.400 3.171 1.627 5.057 . 0 0 "[ . 1]" 1
381 1 62 LEU H 1 67 VAL QG 8.400 . 8.400 4.237 3.195 4.665 . 0 0 "[ . 1]" 1
382 1 67 VAL QG 1 87 VAL QG 8.400 . 8.400 4.107 2.902 4.424 . 0 0 "[ . 1]" 1
383 1 67 VAL QG 1 89 PHE HA 8.400 . 8.400 4.101 3.443 4.386 . 0 0 "[ . 1]" 1
384 1 67 VAL HA 1 89 PHE HA 3.900 . 3.900 3.286 2.817 3.521 . 0 0 "[ . 1]" 1
385 1 67 VAL HA 1 90 ASP HB2 5.000 . 5.000 5.101 5.025 5.201 0.201 3 0 "[ . 1]" 1
386 1 67 VAL H 1 91 ASN QB 6.700 . 6.700 6.541 5.972 6.807 0.107 8 0 "[ . 1]" 1
387 1 68 ILE H 1 68 ILE HB 3.500 . 3.500 3.006 2.774 3.577 0.077 3 0 "[ . 1]" 1
388 1 68 ILE H 1 68 ILE MD 5.200 . 5.200 2.073 1.682 3.809 . 0 0 "[ . 1]" 1
389 1 68 ILE HA 1 68 ILE MD 4.500 . 4.500 3.279 2.636 3.535 . 0 0 "[ . 1]" 1
390 1 67 VAL HA 1 68 ILE H 3.900 . 3.900 2.071 1.997 2.128 . 0 0 "[ . 1]" 1
391 1 67 VAL HB 1 68 ILE H 6.000 . 6.000 3.498 3.166 3.835 . 0 0 "[ . 1]" 1
392 1 67 VAL QG 1 68 ILE H 6.600 . 6.600 3.422 2.561 3.642 . 0 0 "[ . 1]" 1
393 1 67 VAL HA 1 68 ILE HB 6.000 . 6.000 4.955 4.668 5.516 . 0 0 "[ . 1]" 1
394 1 33 LYS QE 1 68 ILE QG 7.400 . 7.400 6.451 2.466 7.416 0.016 9 0 "[ . 1]" 1
395 1 61 PHE QE 1 68 ILE H 7.400 . 7.400 6.907 5.690 7.623 0.223 9 0 "[ . 1]" 1
396 1 68 ILE QG 1 88 SER HB2 5.700 . 5.700 3.574 1.998 4.509 . 0 0 "[ . 1]" 1
397 1 68 ILE QG 1 89 PHE HA 6.700 . 6.700 4.664 3.678 5.310 . 0 0 "[ . 1]" 1
398 1 67 VAL MG1 1 69 SER H 8.400 . 8.400 5.533 3.350 6.235 . 0 0 "[ . 1]" 1
399 1 67 VAL HB 1 69 SER H 4.900 . 4.900 4.586 3.961 5.038 0.138 2 0 "[ . 1]" 1
400 1 67 VAL HB 1 69 SER QB 5.700 . 5.700 4.369 3.689 4.877 . 0 0 "[ . 1]" 1
401 1 68 ILE H 1 69 SER H 5.000 . 5.000 3.957 3.700 4.299 . 0 0 "[ . 1]" 1
402 1 68 ILE MD 1 69 SER H 7.000 . 7.000 4.601 2.669 5.006 . 0 0 "[ . 1]" 1
403 1 58 ALA MB 1 69 SER H 5.900 . 5.900 3.961 3.234 4.431 . 0 0 "[ . 1]" 1
404 1 64 PHE QE 1 69 SER QB 8.400 . 8.400 5.120 4.524 6.103 . 0 0 "[ . 1]" 1
405 1 64 PHE HZ 1 69 SER H 6.000 . 6.000 5.484 4.813 6.219 0.219 3 0 "[ . 1]" 1
406 1 69 SER H 1 89 PHE QE 7.400 . 7.400 6.576 3.589 7.419 0.019 10 0 "[ . 1]" 1
407 1 69 SER HA 1 70 ALA H 3.900 . 3.900 2.152 2.058 2.239 . 0 0 "[ . 1]" 1
408 1 69 SER HB3 1 70 ALA H 6.000 . 6.000 3.718 3.238 4.276 . 0 0 "[ . 1]" 1
409 1 69 SER HA 1 70 ALA HA 6.000 . 6.000 4.426 4.376 4.479 . 0 0 "[ . 1]" 1
410 1 70 ALA HA 1 71 LYS HA 5.000 . 5.000 4.494 4.417 4.522 . 0 0 "[ . 1]" 1
411 1 57 LEU QD 1 70 ALA HA 7.400 . 7.400 5.785 5.230 6.007 . 0 0 "[ . 1]" 1
412 1 58 ALA MB 1 70 ALA HA 7.000 . 7.000 6.727 6.106 7.042 0.042 5 0 "[ . 1]" 1
413 1 70 ALA HA 1 87 VAL QG 7.400 . 7.400 5.829 5.615 6.150 . 0 0 "[ . 1]" 1
414 1 70 ALA HA 1 71 LYS H 6.000 . 6.000 2.507 2.425 2.576 . 0 0 "[ . 1]" 1
415 1 70 ALA MB 1 71 LYS H 7.000 . 7.000 2.594 2.392 2.712 . 0 0 "[ . 1]" 1
416 1 71 LYS QD 1 72 VAL H 6.700 . 6.700 4.648 4.025 5.367 . 0 0 "[ . 1]" 1
417 1 72 VAL H 1 73 PHE QD 8.400 . 8.400 4.744 3.860 5.100 . 0 0 "[ . 1]" 1
418 1 72 VAL HA 1 84 PHE HZ 6.000 . 6.000 5.942 5.266 6.141 0.141 9 0 "[ . 1]" 1
419 1 72 VAL H 1 85 GLY HA3 4.200 . 4.200 3.745 3.656 3.824 . 0 0 "[ . 1]" 1
420 1 72 VAL HA 1 86 PHE HZ 6.000 . 6.000 3.868 3.562 5.007 . 0 0 "[ . 1]" 1
421 1 71 LYS QE 1 73 PHE HA 6.700 . 6.700 6.256 5.302 6.699 . 0 0 "[ . 1]" 1
422 1 72 VAL HB 1 73 PHE QB 6.700 . 6.700 6.039 5.555 6.467 . 0 0 "[ . 1]" 1
423 1 73 PHE QB 1 74 ILE H 4.900 . 4.900 3.030 2.740 3.309 . 0 0 "[ . 1]" 1
424 1 50 GLN H 1 73 PHE QB 6.700 . 6.700 4.081 3.688 5.051 . 0 0 "[ . 1]" 1
425 1 51 GLU HA 1 73 PHE QB 6.700 . 6.700 5.100 4.447 6.239 . 0 0 "[ . 1]" 1
426 1 52 PHE QD 1 73 PHE H 8.400 . 8.400 7.530 5.746 8.433 0.033 6 0 "[ . 1]" 1
427 1 73 PHE H 1 86 PHE HZ 6.000 . 6.000 5.800 5.530 6.125 0.125 8 0 "[ . 1]" 1
428 1 74 ILE H 1 74 ILE HB 3.500 . 3.500 2.843 2.461 3.319 . 0 0 "[ . 1]" 1
429 1 74 ILE H 1 74 ILE MD 4.500 . 4.500 3.651 3.139 3.960 . 0 0 "[ . 1]" 1
430 1 73 PHE H 1 74 ILE QG 6.700 . 6.700 4.428 3.762 4.981 . 0 0 "[ . 1]" 1
431 1 73 PHE H 1 74 ILE H 5.000 . 5.000 4.473 4.365 4.561 . 0 0 "[ . 1]" 1
432 1 74 ILE HA 1 75 ASP H . . 3.500 2.350 2.069 2.598 . 0 0 "[ . 1]" 1
433 1 74 ILE HB 1 75 ASP H . . 3.900 3.609 3.204 3.991 0.091 10 0 "[ . 1]" 1
434 1 74 ILE H 1 75 ASP H 6.000 . 6.000 4.418 4.265 4.587 . 0 0 "[ . 1]" 1
435 1 74 ILE MD 1 75 ASP H 7.000 . 7.000 4.574 3.005 5.243 . 0 0 "[ . 1]" 1
436 1 50 GLN HA 1 74 ILE MD 6.000 . 6.000 5.954 5.458 6.034 0.034 8 0 "[ . 1]" 1
437 1 50 GLN HA 1 74 ILE HB 6.000 . 6.000 5.849 5.451 6.041 0.041 8 0 "[ . 1]" 1
438 1 52 PHE QD 1 74 ILE H 8.400 . 8.400 7.826 6.230 8.486 0.086 8 0 "[ . 1]" 1
439 1 74 ILE MD 1 82 LYS H 7.000 . 7.000 5.113 3.710 6.527 . 0 0 "[ . 1]" 1
440 1 73 PHE HB2 1 75 ASP H 6.000 . 6.000 5.738 5.137 6.046 0.046 8 0 "[ . 1]" 1
441 1 75 ASP H 1 80 LEU H 6.000 . 6.000 5.999 5.653 6.105 0.105 2 0 "[ . 1]" 1
442 1 75 ASP QB 1 80 LEU H 6.700 . 6.700 3.607 1.929 5.035 . 0 0 "[ . 1]" 1
443 1 76 LYS H 1 76 LYS QE 5.700 . 5.700 4.677 2.478 5.707 0.007 6 0 "[ . 1]" 1
444 1 76 LYS H 1 76 LYS QD 5.700 . 5.700 3.882 1.919 4.489 . 0 0 "[ . 1]" 1
445 1 76 LYS HA 1 76 LYS QD 4.900 . 4.900 3.562 2.772 4.194 . 0 0 "[ . 1]" 1
446 1 75 ASP H 1 76 LYS H 4.200 . 4.200 4.049 3.455 4.268 0.068 6 0 "[ . 1]" 1
447 1 75 ASP HA 1 76 LYS H 3.500 . 3.500 2.258 2.162 2.443 . 0 0 "[ . 1]" 1
448 1 75 ASP H 1 76 LYS QG 6.700 . 6.700 6.060 5.409 6.668 . 0 0 "[ . 1]" 1
449 1 75 ASP QB 1 76 LYS H 5.700 . 5.700 3.422 2.863 3.821 . 0 0 "[ . 1]" 1
450 1 75 ASP HA 1 76 LYS QG 6.700 . 6.700 4.999 3.569 6.039 . 0 0 "[ . 1]" 1
451 1 76 LYS H 1 78 THR H 6.000 . 6.000 5.108 4.286 5.351 . 0 0 "[ . 1]" 1
452 1 76 LYS QG 1 77 GLN HG3 6.700 . 6.700 5.601 4.468 6.400 . 0 0 "[ . 1]" 1
453 1 76 LYS QG 1 77 GLN QB 6.700 . 6.700 4.257 2.484 5.163 . 0 0 "[ . 1]" 1
454 1 76 LYS H 1 77 GLN HA 6.000 . 6.000 4.984 4.472 5.433 . 0 0 "[ . 1]" 1
455 1 76 LYS HA 1 78 THR H 6.000 . 6.000 5.357 4.394 6.040 0.040 1 0 "[ . 1]" 1
456 1 77 GLN H 1 77 GLN QG 4.200 . 4.200 2.938 1.733 4.131 . 0 0 "[ . 1]" 1
457 1 77 GLN HA 1 77 GLN HG2 3.500 . 3.500 3.325 2.833 3.534 0.034 9 0 "[ . 1]" 1
458 1 75 ASP HB3 1 77 GLN H 6.000 . 6.000 4.613 3.588 6.015 0.015 2 0 "[ . 1]" 1
459 1 76 LYS H 1 77 GLN H 4.200 . 4.200 2.785 2.374 3.209 . 0 0 "[ . 1]" 1
460 1 76 LYS QB 1 77 GLN H 5.700 . 5.700 2.929 1.935 3.885 . 0 0 "[ . 1]" 1
461 1 76 LYS QG 1 77 GLN H 6.700 . 6.700 3.155 1.835 3.910 . 0 0 "[ . 1]" 1
462 1 76 LYS QD 1 77 GLN H 6.700 . 6.700 2.768 2.072 3.780 . 0 0 "[ . 1]" 1
463 1 76 LYS HA 1 77 GLN H 3.500 . 3.500 3.435 3.215 3.591 0.091 6 0 "[ . 1]" 1
464 1 77 GLN H 1 78 THR H . . 3.500 2.831 2.433 3.210 . 0 0 "[ . 1]" 1
465 1 77 GLN QG 1 78 THR HG1 7.700 . 7.700 3.194 2.274 4.361 . 0 0 "[ . 1]" 1
466 1 77 GLN H 1 79 SER H 6.000 . 6.000 3.441 2.405 3.891 . 0 0 "[ . 1]" 1
467 1 77 GLN H 1 79 SER HA 6.000 . 6.000 5.966 4.918 6.376 0.376 3 0 "[ . 1]" 1
468 1 78 THR H 1 78 THR HB 4.200 . 4.200 3.085 2.681 3.270 . 0 0 "[ . 1]" 1
469 1 78 THR H 1 78 THR HG1 4.500 . 4.500 2.502 1.990 3.386 . 0 0 "[ . 1]" 1
470 1 76 LYS QD 1 78 THR HB 6.700 . 6.700 6.670 6.225 6.774 0.074 8 0 "[ . 1]" 1
471 1 76 LYS QB 1 78 THR H 6.700 . 6.700 4.976 4.076 5.713 . 0 0 "[ . 1]" 1
472 1 76 LYS QG 1 78 THR H 6.700 . 6.700 5.379 3.837 6.238 . 0 0 "[ . 1]" 1
473 1 77 GLN H 1 78 THR HG1 6.700 . 6.700 4.760 3.976 5.308 . 0 0 "[ . 1]" 1
474 1 77 GLN QG 1 78 THR H 5.600 . 5.600 2.732 1.836 3.699 . 0 0 "[ . 1]" 1
475 1 77 GLN QB 1 78 THR H 4.900 . 4.900 2.220 1.869 2.820 . 0 0 "[ . 1]" 1
476 1 77 GLN HG3 1 78 THR HA 6.000 . 6.000 5.261 4.707 6.029 0.029 8 0 "[ . 1]" 1
477 1 77 GLN QB 1 78 THR HA 4.900 . 4.900 4.265 4.041 4.469 . 0 0 "[ . 1]" 1
478 1 77 GLN HA 1 78 THR H 4.200 . 4.200 3.535 3.506 3.556 . 0 0 "[ . 1]" 1
479 1 78 THR H 1 79 SER HA 4.200 . 4.200 4.335 4.237 4.416 0.216 9 0 "[ . 1]" 1
480 1 78 THR H 1 79 SER HB2 4.200 . 4.200 3.731 3.356 4.194 . 0 0 "[ . 1]" 1
481 1 78 THR HB 1 79 SER H 6.000 . 6.000 3.943 2.589 4.491 . 0 0 "[ . 1]" 1
482 1 79 SER H 1 79 SER HB2 3.500 . 3.500 2.355 2.068 2.594 . 0 0 "[ . 1]" 1
483 1 75 ASP HA 1 79 SER H 6.000 . 6.000 5.647 4.074 6.064 0.064 4 0 "[ . 1]" 1
484 1 75 ASP HB3 1 79 SER H 6.000 . 6.000 4.926 4.421 5.820 . 0 0 "[ . 1]" 1
485 1 76 LYS QB 1 79 SER H 6.700 . 6.700 4.849 3.680 6.002 . 0 0 "[ . 1]" 1
486 1 77 GLN HA 1 79 SER H 5.000 . 5.000 4.852 4.312 5.280 0.280 6 0 "[ . 1]" 1
487 1 77 GLN QB 1 79 SER H 6.700 . 6.700 3.684 3.088 4.320 . 0 0 "[ . 1]" 1
488 1 77 GLN HG3 1 79 SER H 6.000 . 6.000 4.665 2.564 6.004 0.004 6 0 "[ . 1]" 1
489 1 78 THR HG1 1 79 SER H 5.200 . 5.200 2.880 1.990 3.789 . 0 0 "[ . 1]" 1
490 1 78 THR H 1 79 SER H 4.900 . 4.900 1.793 1.661 1.954 . 0 0 "[ . 1]" 1
491 1 78 THR HG1 1 79 SER HA 5.200 . 5.200 3.405 3.068 4.167 . 0 0 "[ . 1]" 1
492 1 79 SER H 1 80 LEU HB3 6.000 . 6.000 5.834 4.782 6.124 0.124 1 0 "[ . 1]" 1
493 1 79 SER H 1 80 LEU HG 6.000 . 6.000 4.389 3.433 4.761 . 0 0 "[ . 1]" 1
494 1 79 SER H 1 80 LEU QD . . 7.400 4.315 2.375 4.940 . 0 0 "[ . 1]" 1
495 1 80 LEU H 1 80 LEU HG 3.500 . 3.500 2.493 2.107 3.225 . 0 0 "[ . 1]" 1
496 1 80 LEU HA 1 80 LEU HG 3.500 . 3.500 3.200 2.160 3.569 0.069 2 0 "[ . 1]" 1
497 1 75 ASP HA 1 80 LEU H 6.000 . 6.000 4.554 3.280 5.868 . 0 0 "[ . 1]" 1
498 1 79 SER HA 1 80 LEU QD 7.400 . 7.400 4.327 3.388 5.137 . 0 0 "[ . 1]" 1
499 1 79 SER H 1 80 LEU H 4.200 . 4.200 2.710 2.289 2.902 . 0 0 "[ . 1]" 1
500 1 79 SER HA 1 80 LEU H 4.200 . 4.200 3.402 3.140 3.647 . 0 0 "[ . 1]" 1
501 1 79 SER HB2 1 80 LEU H 5.000 . 5.000 3.515 2.086 4.377 . 0 0 "[ . 1]" 1
502 1 79 SER HA 1 80 LEU HG 5.000 . 5.000 4.769 4.472 5.164 0.164 4 0 "[ . 1]" 1
503 1 80 LEU H 1 81 SER H 6.000 . 6.000 4.271 4.130 4.421 . 0 0 "[ . 1]" 1
504 1 80 LEU HA 1 81 SER H 4.200 . 4.200 2.449 2.128 3.018 . 0 0 "[ . 1]" 1
505 1 80 LEU QB 1 81 SER H 5.700 . 5.700 2.778 1.635 3.360 . 0 0 "[ . 1]" 1
506 1 80 LEU HG 1 81 SER H 5.000 . 5.000 4.694 3.432 5.014 0.014 10 0 "[ . 1]" 1
507 1 80 LEU QD 1 81 SER H 8.400 . 8.400 3.599 2.139 4.512 . 0 0 "[ . 1]" 1
508 1 80 LEU QD 1 81 SER QB 8.400 . 8.400 4.857 3.331 5.442 . 0 0 "[ . 1]" 1
509 1 81 SER H 1 82 LYS H 6.000 . 6.000 4.105 3.895 4.509 . 0 0 "[ . 1]" 1
510 1 82 LYS H 1 82 LYS QE 5.700 . 5.700 4.340 3.111 4.796 . 0 0 "[ . 1]" 1
511 1 80 LEU QD 1 82 LYS H 8.400 . 8.400 4.578 2.768 6.633 . 0 0 "[ . 1]" 1
512 1 81 SER HA 1 82 LYS H 4.200 . 4.200 2.248 2.178 2.640 . 0 0 "[ . 1]" 1
513 1 50 GLN H 1 82 LYS HA 6.000 . 6.000 5.305 4.213 5.944 . 0 0 "[ . 1]" 1
514 1 50 GLN H 1 82 LYS QB 6.700 . 6.700 6.334 5.708 6.793 0.093 5 0 "[ . 1]" 1
515 1 50 GLN H 1 82 LYS QG 6.700 . 6.700 6.058 4.969 6.704 0.004 4 0 "[ . 1]" 1
516 1 75 ASP H 1 82 LYS QG 6.700 . 6.700 6.066 4.993 6.827 0.127 6 0 "[ . 1]" 1
517 1 76 LYS H 1 82 LYS QG 6.700 . 6.700 5.919 4.722 6.690 . 0 0 "[ . 1]" 1
518 1 82 LYS H 1 83 CYS H 6.000 . 6.000 4.227 3.840 4.659 . 0 0 "[ . 1]" 1
519 1 84 PHE H 1 85 GLY H . . 4.200 4.361 4.338 4.384 0.184 3 0 "[ . 1]" 1
520 1 84 PHE HA 1 85 GLY H . . 4.200 2.233 2.206 2.272 . 0 0 "[ . 1]" 1
521 1 84 PHE QB 1 85 GLY H 5.700 . 5.700 2.743 2.570 2.935 . 0 0 "[ . 1]" 1
522 1 84 PHE QB 1 86 PHE QD 6.400 . 6.400 6.147 6.027 6.223 . 0 0 "[ . 1]" 1
523 1 45 ILE MD 1 84 PHE H 7.000 . 7.000 7.030 7.001 7.075 0.075 5 0 "[ . 1]" 1
524 1 46 TYR QD 1 84 PHE QB 8.400 . 8.400 3.207 2.257 3.506 . 0 0 "[ . 1]" 1
525 1 46 TYR HA 1 84 PHE H 5.000 . 5.000 4.453 4.374 4.575 . 0 0 "[ . 1]" 1
526 1 48 LEU QD 1 84 PHE H 8.400 . 8.400 4.116 2.621 6.606 . 0 0 "[ . 1]" 1
527 1 48 LEU QD 1 84 PHE HA 8.400 . 8.400 3.036 1.741 5.455 . 0 0 "[ . 1]" 1
528 1 52 PHE QD 1 84 PHE HA 8.400 . 8.400 5.349 2.721 6.157 . 0 0 "[ . 1]" 1
529 1 85 GLY H 1 86 PHE H 6.000 . 6.000 4.467 4.447 4.499 . 0 0 "[ . 1]" 1
530 1 84 PHE HZ 1 85 GLY H 6.000 . 6.000 6.169 6.065 6.274 0.274 8 0 "[ . 1]" 1
531 1 45 ILE H 1 85 GLY H 4.200 . 4.200 3.723 3.605 3.807 . 0 0 "[ . 1]" 1
532 1 45 ILE MD 1 85 GLY H 7.000 . 7.000 3.412 3.365 3.498 . 0 0 "[ . 1]" 1
533 1 46 TYR HA 1 85 GLY H 4.200 . 4.200 3.021 2.888 3.429 . 0 0 "[ . 1]" 1
534 1 47 HIS HB2 1 85 GLY H 6.000 . 6.000 6.353 6.297 6.427 0.427 10 0 "[ . 1]" 1
535 1 48 LEU QD 1 85 GLY H 8.400 . 8.400 3.438 1.969 6.529 . 0 0 "[ . 1]" 1
536 1 71 LYS HA 1 85 GLY QA 4.200 . 4.200 2.525 2.482 2.593 . 0 0 "[ . 1]" 1
537 1 84 PHE HZ 1 86 PHE HA 6.000 . 6.000 4.998 4.569 5.469 . 0 0 "[ . 1]" 1
538 1 84 PHE HZ 1 86 PHE QB 6.700 . 6.700 4.513 4.152 5.351 . 0 0 "[ . 1]" 1
539 1 85 GLY QA 1 86 PHE H 4.900 . 4.900 2.205 2.191 2.217 . 0 0 "[ . 1]" 1
540 1 86 PHE H 1 87 VAL H . . 5.000 4.337 4.191 4.425 . 0 0 "[ . 1]" 1
541 1 86 PHE H 1 87 VAL MG1 8.400 . 8.400 5.275 4.445 5.784 . 0 0 "[ . 1]" 1
542 1 44 PHE HA 1 86 PHE HA 3.500 . 3.500 2.948 2.870 3.128 . 0 0 "[ . 1]" 1
543 1 44 PHE QE 1 86 PHE HA 7.400 . 7.400 5.765 5.525 5.978 . 0 0 "[ . 1]" 1
544 1 44 PHE QE 1 86 PHE H 7.400 . 7.400 7.059 6.864 7.223 . 0 0 "[ . 1]" 1
545 1 44 PHE QE 1 86 PHE QB 6.400 . 6.400 5.732 5.236 6.021 . 0 0 "[ . 1]" 1
546 1 45 ILE MD 1 86 PHE H 7.000 . 7.000 3.735 3.551 4.288 . 0 0 "[ . 1]" 1
547 1 57 LEU QB 1 86 PHE H 6.700 . 6.700 6.264 5.756 6.794 0.094 5 0 "[ . 1]" 1
548 1 57 LEU QD 1 86 PHE H 6.300 . 6.300 3.630 3.478 3.777 . 0 0 "[ . 1]" 1
549 1 57 LEU QD 1 86 PHE HA 8.400 . 8.400 4.306 4.178 4.679 . 0 0 "[ . 1]" 1
550 1 70 ALA HA 1 86 PHE H 6.000 . 6.000 5.315 5.269 5.369 . 0 0 "[ . 1]" 1
551 1 71 LYS H 1 86 PHE QB 4.900 . 4.900 4.989 4.923 5.022 0.122 1 0 "[ . 1]" 1
552 1 72 VAL HA 1 86 PHE H 6.000 . 6.000 5.855 5.576 6.037 0.037 9 0 "[ . 1]" 1
553 1 72 VAL H 1 86 PHE HA 6.000 . 6.000 6.036 6.020 6.047 0.047 4 0 "[ . 1]" 1
554 1 87 VAL H 1 87 VAL HB 3.500 . 3.500 3.160 2.874 3.537 0.037 3 0 "[ . 1]" 1
555 1 86 PHE HA 1 87 VAL HB 6.000 . 6.000 4.932 4.166 5.460 . 0 0 "[ . 1]" 1
556 1 86 PHE HA 1 87 VAL MG1 8.400 . 8.400 4.821 4.025 5.440 . 0 0 "[ . 1]" 1
557 1 86 PHE QD 1 87 VAL H 6.400 . 6.400 4.717 4.307 4.875 . 0 0 "[ . 1]" 1
558 1 86 PHE HA 1 87 VAL H 3.500 . 3.500 2.201 2.168 2.245 . 0 0 "[ . 1]" 1
559 1 86 PHE HA 1 87 VAL HA 6.000 . 6.000 4.382 4.351 4.414 . 0 0 "[ . 1]" 1
560 1 87 VAL QG 1 99 ILE H 7.400 . 7.400 6.794 5.975 7.442 0.042 8 0 "[ . 1]" 1
561 1 43 LEU QD 1 87 VAL QG 8.400 . 8.400 2.331 1.585 3.062 . 0 0 "[ . 1]" 1
562 1 43 LEU QB 1 87 VAL HA 4.200 . 4.200 5.324 4.926 5.631 1.431 5 10 [****+*-***] 1
563 1 43 LEU HB3 1 87 VAL QG 5.900 . 5.900 2.731 1.868 4.016 . 0 0 "[ . 1]" 1
564 1 43 LEU HB3 1 87 VAL HB 4.900 . 4.900 3.486 2.578 4.384 . 0 0 "[ . 1]" 1
565 1 44 PHE H 1 87 VAL H 6.000 . 6.000 5.186 5.145 5.236 . 0 0 "[ . 1]" 1
566 1 44 PHE HA 1 87 VAL H 6.000 . 6.000 3.454 3.329 3.580 . 0 0 "[ . 1]" 1
567 1 44 PHE HA 1 87 VAL HB 6.000 . 6.000 5.794 5.227 6.138 0.138 3 0 "[ . 1]" 1
568 1 44 PHE HA 1 87 VAL QG 8.400 . 8.400 4.049 3.362 4.529 . 0 0 "[ . 1]" 1
569 1 45 ILE HB 1 87 VAL MG2 8.400 . 8.400 5.672 4.348 7.819 . 0 0 "[ . 1]" 1
570 1 45 ILE MD 1 87 VAL QG 6.600 . 6.600 1.996 1.624 2.810 . 0 0 "[ . 1]" 1
571 1 45 ILE MD 1 87 VAL HB 5.200 . 5.200 3.385 2.404 4.092 . 0 0 "[ . 1]" 1
572 1 45 ILE MD 1 87 VAL H 4.500 . 4.500 3.146 2.749 3.983 . 0 0 "[ . 1]" 1
573 1 57 LEU HG 1 87 VAL QG 6.600 . 6.600 3.498 3.200 3.858 . 0 0 "[ . 1]" 1
574 1 58 ALA H 1 87 VAL QG 8.400 . 8.400 2.939 2.172 3.378 . 0 0 "[ . 1]" 1
575 1 61 PHE QB 1 87 VAL QG 7.400 . 7.400 4.295 3.313 5.418 . 0 0 "[ . 1]" 1
576 1 61 PHE QD 1 87 VAL HB 8.400 . 8.400 5.099 3.613 6.043 . 0 0 "[ . 1]" 1
577 1 61 PHE H 1 87 VAL QG 8.400 . 8.400 4.945 4.133 5.306 . 0 0 "[ . 1]" 1
578 1 61 PHE QD 1 87 VAL QG 8.400 . 8.400 3.638 2.370 4.259 . 0 0 "[ . 1]" 1
579 1 61 PHE QE 1 87 VAL QG 8.400 . 8.400 2.775 1.711 4.412 . 0 0 "[ . 1]" 1
580 1 67 VAL HA 1 87 VAL MG2 7.400 . 7.400 6.667 4.663 7.587 0.187 3 0 "[ . 1]" 1
581 1 68 ILE H 1 87 VAL HA 6.000 . 6.000 5.540 5.359 5.677 . 0 0 "[ . 1]" 1
582 1 69 SER HA 1 87 VAL QG 7.400 . 7.400 2.997 2.715 3.434 . 0 0 "[ . 1]" 1
583 1 69 SER HA 1 87 VAL HA 3.500 . 3.500 2.628 2.492 2.730 . 0 0 "[ . 1]" 1
584 1 86 PHE QD 1 88 SER H 8.400 . 8.400 6.574 6.324 7.048 . 0 0 "[ . 1]" 1
585 1 88 SER H 1 88 SER HB3 4.200 . 4.200 2.910 2.263 3.373 . 0 0 "[ . 1]" 1
586 1 88 SER QB 1 89 PHE H 6.700 . 6.700 3.806 3.637 3.960 . 0 0 "[ . 1]" 1
587 1 42 ASN HA 1 88 SER HA 3.500 . 3.500 2.571 2.403 2.680 . 0 0 "[ . 1]" 1
588 1 43 LEU QD 1 88 SER HA 8.400 . 8.400 5.670 5.034 6.063 . 0 0 "[ . 1]" 1
589 1 43 LEU HB3 1 88 SER H 6.000 . 6.000 5.973 5.733 6.090 0.090 8 0 "[ . 1]" 1
590 1 43 LEU QD 1 88 SER H 8.400 . 8.400 5.987 5.294 6.674 . 0 0 "[ . 1]" 1
591 1 61 PHE QE 1 88 SER H 7.400 . 7.400 5.989 4.783 7.424 0.024 2 0 "[ . 1]" 1
592 1 61 PHE QE 1 88 SER QB 8.400 . 8.400 6.992 6.481 7.649 . 0 0 "[ . 1]" 1
593 1 68 ILE MD 1 88 SER QB 6.400 . 6.400 2.870 1.935 3.802 . 0 0 "[ . 1]" 1
594 1 68 ILE H 1 88 SER H 6.000 . 6.000 3.928 3.713 4.136 . 0 0 "[ . 1]" 1
595 1 69 SER HA 1 88 SER H 3.500 . 3.500 2.851 2.642 3.082 . 0 0 "[ . 1]" 1
596 1 69 SER HB3 1 88 SER H 4.200 . 4.200 4.260 4.207 4.317 0.117 1 0 "[ . 1]" 1
597 1 69 SER HA 1 88 SER QB 5.400 . 5.400 4.011 3.784 4.161 . 0 0 "[ . 1]" 1
598 1 70 ALA HA 1 88 SER QB 6.700 . 6.700 6.823 6.768 6.915 0.215 8 0 "[ . 1]" 1
599 1 87 VAL MG2 1 89 PHE H 8.400 . 8.400 5.446 4.263 6.188 . 0 0 "[ . 1]" 1
600 1 88 SER HA 1 89 PHE H 4.200 . 4.200 2.155 2.072 2.214 . 0 0 "[ . 1]" 1
601 1 89 PHE HA 1 90 ASP HA 5.000 . 5.000 4.364 4.288 4.382 . 0 0 "[ . 1]" 1
602 1 89 PHE QB 1 90 ASP HA 4.900 . 4.900 4.171 4.056 4.359 . 0 0 "[ . 1]" 1
603 1 89 PHE QB 1 98 ALA MB 6.700 . 6.700 4.697 4.357 5.049 . 0 0 "[ . 1]" 1
604 1 42 ASN HA 1 89 PHE H 4.900 . 4.900 2.133 1.963 2.698 . 0 0 "[ . 1]" 1
605 1 58 ALA MB 1 89 PHE QB 6.700 . 6.700 6.192 5.677 6.491 . 0 0 "[ . 1]" 1
606 1 58 ALA MB 1 89 PHE H 7.000 . 7.000 6.933 6.486 7.101 0.101 2 0 "[ . 1]" 1
607 1 61 PHE QE 1 89 PHE H 8.400 . 8.400 5.463 4.708 6.655 . 0 0 "[ . 1]" 1
608 1 61 PHE QE 1 89 PHE HA 8.400 . 8.400 5.544 4.853 7.146 . 0 0 "[ . 1]" 1
609 1 61 PHE QE 1 89 PHE QB 7.300 . 7.300 4.244 2.711 6.040 . 0 0 "[ . 1]" 1
610 1 64 PHE HB2 1 89 PHE H 6.000 . 6.000 6.077 5.769 6.395 0.395 4 0 "[ . 1]" 1
611 1 68 ILE MD 1 89 PHE H 7.000 . 7.000 4.620 4.041 5.713 . 0 0 "[ . 1]" 1
612 1 68 ILE MD 1 89 PHE HA 7.000 . 7.000 3.397 2.576 5.857 . 0 0 "[ . 1]" 1
613 1 68 ILE H 1 89 PHE HA 4.900 . 4.900 3.553 3.221 3.667 . 0 0 "[ . 1]" 1
614 1 88 SER HA 1 90 ASP H 6.000 . 6.000 5.901 5.807 6.007 0.007 3 0 "[ . 1]" 1
615 1 89 PHE HA 1 90 ASP H . . 4.200 2.080 2.034 2.141 . 0 0 "[ . 1]" 1
616 1 89 PHE QD 1 90 ASP H 6.600 . 6.600 4.212 3.522 4.396 . 0 0 "[ . 1]" 1
617 1 89 PHE QB 1 90 ASP H 5.700 . 5.700 3.104 2.960 3.226 . 0 0 "[ . 1]" 1
618 1 90 ASP H 1 95 ALA MB 7.000 . 7.000 4.447 4.021 5.033 . 0 0 "[ . 1]" 1
619 1 39 GLU QG 1 90 ASP H 6.700 . 6.700 6.643 6.293 6.736 0.036 3 0 "[ . 1]" 1
620 1 41 CYS H 1 90 ASP H 6.000 . 6.000 5.526 5.402 5.607 . 0 0 "[ . 1]" 1
621 1 61 PHE QD 1 90 ASP H 7.400 . 7.400 6.990 6.153 7.530 0.130 7 0 "[ . 1]" 1
622 1 62 LEU QD 1 90 ASP QB 8.100 . 8.100 7.578 6.576 8.196 0.096 10 0 "[ . 1]" 1
623 1 64 PHE QD 1 90 ASP QB 7.300 . 7.300 5.098 4.659 6.429 . 0 0 "[ . 1]" 1
624 1 89 PHE HB2 1 91 ASN QB 5.700 . 5.700 5.012 4.654 5.774 0.074 7 0 "[ . 1]" 1
625 1 89 PHE HA 1 91 ASN H 6.000 . 6.000 5.116 4.972 5.438 . 0 0 "[ . 1]" 1
626 1 89 PHE HB3 1 91 ASN H 5.000 . 5.000 4.460 4.129 4.876 . 0 0 "[ . 1]" 1
627 1 89 PHE HB3 1 91 ASN QD 6.700 . 6.700 5.321 2.156 6.338 . 0 0 "[ . 1]" 1
628 1 90 ASP H 1 91 ASN QB 5.700 . 5.700 3.876 3.695 4.170 . 0 0 "[ . 1]" 1
629 1 90 ASP H 1 91 ASN H 4.200 . 4.200 3.776 3.649 3.987 . 0 0 "[ . 1]" 1
630 1 90 ASP HB2 1 91 ASN H 5.000 . 5.000 4.477 4.396 4.591 . 0 0 "[ . 1]" 1
631 1 91 ASN H 1 95 ALA MB 7.000 . 7.000 3.258 2.848 3.744 . 0 0 "[ . 1]" 1
632 1 62 LEU HA 1 91 ASN QD 6.700 . 6.700 6.639 6.201 6.809 0.109 3 0 "[ . 1]" 1
633 1 64 PHE HA 1 91 ASN H 6.000 . 6.000 5.769 5.180 6.366 0.366 4 0 "[ . 1]" 1
634 1 64 PHE QE 1 91 ASN H 8.400 . 8.400 6.015 4.727 7.313 . 0 0 "[ . 1]" 1
635 1 65 GLY HA2 1 91 ASN QB 6.700 . 6.700 3.088 1.687 4.348 . 0 0 "[ . 1]" 1
636 1 65 GLY HA2 1 91 ASN QD 6.700 . 6.700 3.073 1.828 4.086 . 0 0 "[ . 1]" 1
637 1 91 ASN HA 1 92 PRO QB 6.700 . 6.700 4.983 4.822 5.062 . 0 0 "[ . 1]" 1
638 1 91 ASN HA 1 92 PRO HA 6.000 . 6.000 4.473 4.448 4.534 . 0 0 "[ . 1]" 1
639 1 92 PRO HA 1 95 ALA H 6.000 . 6.000 4.986 4.801 5.180 . 0 0 "[ . 1]" 1
640 1 92 PRO HA 1 95 ALA MB 7.000 . 7.000 5.030 4.762 5.267 . 0 0 "[ . 1]" 1
641 1 92 PRO QB 1 93 ASP H 4.900 . 4.900 2.459 2.305 2.512 . 0 0 "[ . 1]" 1
642 1 93 ASP H 1 95 ALA H 5.000 . 5.000 4.601 4.460 4.823 . 0 0 "[ . 1]" 1
643 1 93 ASP H 1 95 ALA MB 6.000 . 6.000 5.292 4.986 5.521 . 0 0 "[ . 1]" 1
644 1 93 ASP H 1 96 GLN H 5.000 . 5.000 5.090 5.049 5.147 0.147 4 0 "[ . 1]" 1
645 1 93 ASP HA 1 96 GLN H . . 3.900 2.927 2.847 3.001 . 0 0 "[ . 1]" 1
646 1 93 ASP HA 1 96 GLN QB 4.900 . 4.900 2.646 2.122 3.576 . 0 0 "[ . 1]" 1
647 1 93 ASP H 1 97 VAL QG 6.600 . 6.600 5.815 5.262 6.449 . 0 0 "[ . 1]" 1
648 1 93 ASP HA 1 97 VAL QG 6.600 . 6.600 4.781 4.181 5.522 . 0 0 "[ . 1]" 1
649 1 93 ASP QB 1 97 VAL QG 8.400 . 8.400 3.762 3.062 4.636 . 0 0 "[ . 1]" 1
650 1 93 ASP HA 1 94 SER H 4.200 . 4.200 3.467 3.461 3.475 . 0 0 "[ . 1]" 1
651 1 93 ASP QB 1 94 SER H 4.900 . 4.900 3.255 2.950 3.659 . 0 0 "[ . 1]" 1
652 1 94 SER H 1 95 ALA H 3.900 . 3.900 2.826 2.746 2.957 . 0 0 "[ . 1]" 1
653 1 94 SER H 1 95 ALA HA 6.000 . 6.000 5.391 5.321 5.487 . 0 0 "[ . 1]" 1
654 1 94 SER H 1 95 ALA MB 6.000 . 6.000 4.417 4.222 4.529 . 0 0 "[ . 1]" 1
655 1 94 SER H 1 96 GLN H 5.000 . 5.000 4.151 4.064 4.218 . 0 0 "[ . 1]" 1
656 1 94 SER H 1 97 VAL HB 6.000 . 6.000 5.558 4.728 6.010 0.010 7 0 "[ . 1]" 1
657 1 94 SER H 1 97 VAL QG 7.400 . 7.400 4.314 3.849 4.880 . 0 0 "[ . 1]" 1
658 1 94 SER H 1 97 VAL H 5.000 . 5.000 4.838 4.610 5.078 0.078 7 0 "[ . 1]" 1
659 1 93 ASP QB 1 95 ALA H 5.700 . 5.700 4.825 4.545 5.041 . 0 0 "[ . 1]" 1
660 1 95 ALA H 1 96 GLN H . . 3.500 2.527 2.456 2.582 . 0 0 "[ . 1]" 1
661 1 95 ALA H 1 96 GLN HA 5.000 . 5.000 5.117 5.051 5.153 0.153 6 0 "[ . 1]" 1
662 1 95 ALA H 1 96 GLN QG 5.700 . 5.700 5.068 3.671 5.672 . 0 0 "[ . 1]" 1
663 1 95 ALA H 1 96 GLN QB 5.700 . 5.700 4.355 4.135 4.673 . 0 0 "[ . 1]" 1
664 1 95 ALA MB 1 96 GLN H 5.200 . 5.200 2.544 2.417 2.684 . 0 0 "[ . 1]" 1
665 1 95 ALA HA 1 96 GLN H . . 4.200 3.535 3.515 3.549 . 0 0 "[ . 1]" 1
666 1 95 ALA H 1 97 VAL QG 7.400 . 7.400 4.583 4.396 4.859 . 0 0 "[ . 1]" 1
667 1 95 ALA HA 1 97 VAL H 5.000 . 5.000 4.285 3.966 4.652 . 0 0 "[ . 1]" 1
668 1 95 ALA H 1 97 VAL H 5.000 . 5.000 4.077 3.848 4.397 . 0 0 "[ . 1]" 1
669 1 95 ALA H 1 98 ALA H 5.000 . 5.000 4.723 4.649 4.814 . 0 0 "[ . 1]" 1
670 1 95 ALA H 1 98 ALA MB 6.000 . 6.000 4.747 4.558 4.932 . 0 0 "[ . 1]" 1
671 1 95 ALA HA 1 98 ALA H 5.000 . 5.000 3.181 2.884 3.465 . 0 0 "[ . 1]" 1
672 1 95 ALA HA 1 98 ALA MB 5.200 . 5.200 2.540 2.164 2.717 . 0 0 "[ . 1]" 1
673 1 95 ALA H 1 99 ILE MD 7.000 . 7.000 5.520 4.827 6.130 . 0 0 "[ . 1]" 1
674 1 61 PHE QD 1 95 ALA H 7.400 . 7.400 7.486 7.105 7.687 0.287 10 0 "[ . 1]" 1
675 1 61 PHE QD 1 95 ALA MB 9.400 . 9.400 4.544 4.016 4.905 . 0 0 "[ . 1]" 1
676 1 64 PHE H 1 95 ALA H 6.000 . 6.000 5.953 5.587 6.156 0.156 8 0 "[ . 1]" 1
677 1 64 PHE HA 1 95 ALA H 3.900 . 3.900 3.695 3.414 3.916 0.016 6 0 "[ . 1]" 1
678 1 96 GLN H 1 96 GLN QG 4.200 . 4.200 2.938 1.836 3.442 . 0 0 "[ . 1]" 1
679 1 93 ASP HA 1 96 GLN QG 4.900 . 4.900 3.405 1.813 4.083 . 0 0 "[ . 1]" 1
680 1 93 ASP QB 1 96 GLN H 6.700 . 6.700 4.294 3.869 4.775 . 0 0 "[ . 1]" 1
681 1 95 ALA MB 1 96 GLN HA 6.000 . 6.000 3.721 3.555 3.805 . 0 0 "[ . 1]" 1
682 1 95 ALA MB 1 96 GLN QG 6.500 . 6.500 3.950 3.149 4.347 . 0 0 "[ . 1]" 1
683 1 96 GLN H 1 97 VAL QG 7.400 . 7.400 4.098 3.910 4.649 . 0 0 "[ . 1]" 1
684 1 96 GLN QB 1 97 VAL QG 7.400 . 7.400 3.247 2.960 4.100 . 0 0 "[ . 1]" 1
685 1 96 GLN QG 1 97 VAL QG 8.200 . 8.200 4.847 4.407 5.477 . 0 0 "[ . 1]" 1
686 1 96 GLN HA 1 97 VAL QG . . 6.600 4.750 4.618 5.085 . 0 0 "[ . 1]" 1
687 1 96 GLN H 1 98 ALA MB 6.000 . 6.000 4.775 4.520 4.963 . 0 0 "[ . 1]" 1
688 1 96 GLN QB 1 98 ALA H 4.900 . 4.900 4.638 4.484 4.894 . 0 0 "[ . 1]" 1
689 1 96 GLN QG 1 99 ILE MD 6.700 . 6.700 3.135 2.303 4.113 . 0 0 "[ . 1]" 1
690 1 96 GLN HA 1 99 ILE HB 3.900 . 3.900 3.413 2.985 3.923 0.023 5 0 "[ . 1]" 1
691 1 96 GLN H 1 99 ILE H 5.000 . 5.000 4.946 4.833 5.046 0.046 3 0 "[ . 1]" 1
692 1 96 GLN QE 1 99 ILE MD 6.700 . 6.700 4.992 3.320 6.147 . 0 0 "[ . 1]" 1
693 1 96 GLN QG 1 99 ILE HB 5.400 . 5.400 4.748 4.209 5.463 0.063 3 0 "[ . 1]" 1
694 1 96 GLN HA 1 99 ILE MD 5.900 . 5.900 2.238 1.839 3.199 . 0 0 "[ . 1]" 1
695 1 96 GLN QB 1 99 ILE H 5.800 . 5.800 4.833 4.584 5.118 . 0 0 "[ . 1]" 1
696 1 96 GLN QB 1 99 ILE MD 6.000 . 6.000 3.972 3.502 5.000 . 0 0 "[ . 1]" 1
697 1 96 GLN QG 1 99 ILE H 5.700 . 5.700 5.331 4.954 5.708 0.008 3 0 "[ . 1]" 1
698 1 96 GLN H 1 99 ILE MD 6.000 . 6.000 4.014 3.560 4.722 . 0 0 "[ . 1]" 1
699 1 96 GLN HA 1 99 ILE H 4.900 . 4.900 3.517 3.256 3.809 . 0 0 "[ . 1]" 1
700 1 97 VAL H 1 97 VAL HB 3.500 . 3.500 2.548 2.079 2.715 . 0 0 "[ . 1]" 1
701 1 93 ASP HB3 1 97 VAL H 6.000 . 6.000 5.240 4.307 6.049 0.049 4 0 "[ . 1]" 1
702 1 94 SER QB 1 97 VAL H 5.700 . 5.700 4.847 4.718 4.988 . 0 0 "[ . 1]" 1
703 1 94 SER QB 1 97 VAL QG 8.400 . 8.400 3.868 3.523 4.134 . 0 0 "[ . 1]" 1
704 1 95 ALA MB 1 97 VAL H 6.000 . 6.000 4.476 4.310 4.676 . 0 0 "[ . 1]" 1
705 1 96 GLN H 1 97 VAL H 3.900 . 3.900 2.734 2.682 2.864 . 0 0 "[ . 1]" 1
706 1 96 GLN HA 1 97 VAL H 3.500 . 3.500 3.510 3.483 3.533 0.033 3 0 "[ . 1]" 1
707 1 96 GLN QG 1 97 VAL H 6.700 . 6.700 4.264 3.751 4.537 . 0 0 "[ . 1]" 1
708 1 96 GLN HA 1 97 VAL HB 6.000 . 6.000 5.808 5.528 5.924 . 0 0 "[ . 1]" 1
709 1 96 GLN QG 1 97 VAL HA 5.700 . 5.700 5.559 5.383 5.741 0.041 5 0 "[ . 1]" 1
710 1 97 VAL H 1 100 LYS H 6.000 . 6.000 5.099 5.056 5.138 . 0 0 "[ . 1]" 1
711 1 97 VAL H 1 100 LYS HG2 6.000 . 6.000 5.937 5.183 6.092 0.092 2 0 "[ . 1]" 1
712 1 97 VAL HA 1 100 LYS HA 6.000 . 6.000 6.010 5.858 6.091 0.091 7 0 "[ . 1]" 1
713 1 97 VAL HA 1 100 LYS QD 5.700 . 5.700 1.847 1.677 2.421 . 0 0 "[ . 1]" 1
714 1 97 VAL HA 1 100 LYS HG2 5.000 . 5.000 4.344 3.409 4.620 . 0 0 "[ . 1]" 1
715 1 97 VAL HB 1 100 LYS HE2 5.000 . 5.000 4.958 4.782 5.016 0.016 8 0 "[ . 1]" 1
716 1 96 GLN HA 1 98 ALA H 5.000 . 5.000 4.325 4.085 4.661 . 0 0 "[ . 1]" 1
717 1 97 VAL QG 1 98 ALA HA 6.600 . 6.600 3.500 2.859 3.750 . 0 0 "[ . 1]" 1
718 1 97 VAL H 1 98 ALA H 3.500 . 3.500 2.722 2.634 2.811 . 0 0 "[ . 1]" 1
719 1 97 VAL HA 1 98 ALA H 3.900 . 3.900 3.543 3.488 3.567 . 0 0 "[ . 1]" 1
720 1 97 VAL HB 1 98 ALA H 3.500 . 3.500 2.773 2.480 3.520 0.020 1 0 "[ . 1]" 1
721 1 97 VAL QG 1 98 ALA H 6.600 . 6.600 3.052 2.173 3.316 . 0 0 "[ . 1]" 1
722 1 61 PHE QD 1 98 ALA H 7.400 . 7.400 5.804 5.045 6.136 . 0 0 "[ . 1]" 1
723 1 61 PHE QE 1 98 ALA MB 8.400 . 8.400 4.150 2.509 5.201 . 0 0 "[ . 1]" 1
724 1 61 PHE QD 1 98 ALA HA 7.400 . 7.400 5.132 4.092 5.614 . 0 0 "[ . 1]" 1
725 1 61 PHE QD 1 98 ALA MB 7.600 . 7.600 3.071 2.201 3.430 . 0 0 "[ . 1]" 1
726 1 64 PHE H 1 98 ALA MB 5.900 . 5.900 3.412 3.292 3.640 . 0 0 "[ . 1]" 1
727 1 64 PHE H 1 98 ALA HA 6.000 . 6.000 6.094 6.048 6.145 0.145 4 0 "[ . 1]" 1
728 1 64 PHE QD 1 98 ALA H 7.400 . 7.400 6.225 5.180 6.602 . 0 0 "[ . 1]" 1
729 1 64 PHE H 1 98 ALA H 6.000 . 6.000 5.826 5.636 6.022 0.022 4 0 "[ . 1]" 1
730 1 64 PHE QE 1 98 ALA H 8.400 . 8.400 8.192 7.198 8.550 0.150 9 0 "[ . 1]" 1
731 1 64 PHE HB2 1 98 ALA H 6.000 . 6.000 5.277 5.024 5.657 . 0 0 "[ . 1]" 1
732 1 99 ILE HA 1 99 ILE MD 4.500 . 4.500 3.898 3.755 4.013 . 0 0 "[ . 1]" 1
733 1 99 ILE H 1 99 ILE MD 4.500 . 4.500 3.276 2.460 3.640 . 0 0 "[ . 1]" 1
734 1 99 ILE H 1 99 ILE HB 3.500 . 3.500 2.698 2.165 3.223 . 0 0 "[ . 1]" 1
735 1 96 GLN QG 1 99 ILE QG 7.700 . 7.700 4.282 3.596 5.343 . 0 0 "[ . 1]" 1
736 1 96 GLN QB 1 99 ILE QG 7.700 . 7.700 4.537 3.486 5.269 . 0 0 "[ . 1]" 1
737 1 96 GLN HA 1 99 ILE MG 5.200 . 5.200 4.465 4.014 4.833 . 0 0 "[ . 1]" 1
738 1 97 VAL QG 1 99 ILE H 7.400 . 7.400 4.473 4.072 4.721 . 0 0 "[ . 1]" 1
739 1 97 VAL HA 1 99 ILE H 5.000 . 5.000 4.229 4.042 4.507 . 0 0 "[ . 1]" 1
740 1 98 ALA H 1 99 ILE H 4.200 . 4.200 2.687 2.567 2.850 . 0 0 "[ . 1]" 1
741 1 98 ALA MB 1 99 ILE H 4.900 . 4.900 2.618 2.370 2.791 . 0 0 "[ . 1]" 1
742 1 98 ALA MB 1 99 ILE HA 7.000 . 7.000 3.749 3.687 3.846 . 0 0 "[ . 1]" 1
743 1 99 ILE H 1 100 LYS HA 6.000 . 6.000 5.359 5.320 5.376 . 0 0 "[ . 1]" 1
744 1 99 ILE H 1 100 LYS QG 6.700 . 6.700 4.000 3.810 4.107 . 0 0 "[ . 1]" 1
745 1 61 PHE QE 1 99 ILE H 8.400 . 8.400 5.268 3.555 6.673 . 0 0 "[ . 1]" 1
746 1 64 PHE QD 1 99 ILE H 7.400 . 7.400 6.233 4.213 6.803 . 0 0 "[ . 1]" 1
747 1 64 PHE H 1 99 ILE QG 7.000 . 7.000 6.173 5.368 6.624 . 0 0 "[ . 1]" 1
748 1 64 PHE HZ 1 99 ILE QG 7.000 . 7.000 6.767 5.413 7.159 0.159 9 0 "[ . 1]" 1
749 1 89 PHE H 1 99 ILE MG 7.000 . 7.000 6.114 5.597 6.791 . 0 0 "[ . 1]" 1
750 1 89 PHE QE 1 99 ILE HB 6.600 . 6.600 4.703 3.781 6.666 0.066 3 0 "[ . 1]" 1
751 1 99 ILE QG 1 114 VAL H 5.900 . 5.900 5.851 5.598 5.986 0.086 2 0 "[ . 1]" 1
752 1 99 ILE QG 1 114 VAL HA 7.000 . 7.000 4.472 4.353 4.608 . 0 0 "[ . 1]" 1
753 1 99 ILE MG 1 114 VAL H 6.000 . 6.000 5.943 5.674 6.083 0.083 2 0 "[ . 1]" 1
754 1 99 ILE QG 1 115 GLN HA 5.200 . 5.200 4.791 4.470 5.244 0.044 8 0 "[ . 1]" 1
755 1 99 ILE QG 1 116 LEU HA 5.200 . 5.200 2.394 1.815 3.373 . 0 0 "[ . 1]" 1
756 1 100 LYS HA 1 100 LYS QD 4.200 . 4.200 3.941 3.626 4.146 . 0 0 "[ . 1]" 1
757 1 96 GLN HA 1 100 LYS H 5.000 . 5.000 4.314 4.120 4.440 . 0 0 "[ . 1]" 1
758 1 96 GLN HA 1 100 LYS QD 5.700 . 5.700 4.258 3.453 5.711 0.011 3 0 "[ . 1]" 1
759 1 97 VAL HB 1 100 LYS H 6.000 . 6.000 6.016 5.909 6.071 0.071 3 0 "[ . 1]" 1
760 1 97 VAL QG 1 100 LYS H 7.400 . 7.400 4.598 4.456 4.752 . 0 0 "[ . 1]" 1
761 1 99 ILE H 1 100 LYS H 4.200 . 4.200 2.818 2.747 2.875 . 0 0 "[ . 1]" 1
762 1 99 ILE HA 1 100 LYS H 6.000 . 6.000 3.593 3.572 3.625 . 0 0 "[ . 1]" 1
763 1 99 ILE MD 1 100 LYS H 4.500 . 4.500 4.078 3.584 4.524 0.024 7 0 "[ . 1]" 1
764 1 99 ILE HA 1 100 LYS QD 5.700 . 5.700 5.389 5.018 5.717 0.017 1 0 "[ . 1]" 1
765 1 99 ILE MD 1 100 LYS QD 7.700 . 7.700 4.855 3.906 5.946 . 0 0 "[ . 1]" 1
766 1 99 ILE MD 1 100 LYS HA 6.000 . 6.000 5.586 5.361 5.757 . 0 0 "[ . 1]" 1
767 1 100 LYS H 1 101 ALA H . . 3.900 2.560 2.526 2.584 . 0 0 "[ . 1]" 1
768 1 100 LYS H 1 101 ALA HA 5.000 . 5.000 5.150 5.123 5.174 0.174 2 0 "[ . 1]" 1
769 1 100 LYS H 1 101 ALA MB . . 5.200 4.224 4.183 4.259 . 0 0 "[ . 1]" 1
770 1 100 LYS HA 1 101 ALA MB . . 5.200 4.954 4.930 4.976 . 0 0 "[ . 1]" 1
771 1 100 LYS QG 1 118 LYS H 6.700 . 6.700 6.725 6.580 6.764 0.064 7 0 "[ . 1]" 1
772 1 97 VAL HB 1 101 ALA H 6.000 . 6.000 5.799 5.691 6.059 0.059 9 0 "[ . 1]" 1
773 1 97 VAL QG 1 101 ALA H 8.400 . 8.400 3.878 3.765 4.047 . 0 0 "[ . 1]" 1
774 1 97 VAL HA 1 101 ALA H 5.000 . 5.000 3.766 3.633 3.937 . 0 0 "[ . 1]" 1
775 1 98 ALA HA 1 101 ALA H 4.200 . 4.200 4.303 4.255 4.363 0.163 3 0 "[ . 1]" 1
776 1 98 ALA MB 1 101 ALA H 6.000 . 6.000 5.122 4.991 5.227 . 0 0 "[ . 1]" 1
777 1 99 ILE HA 1 101 ALA H 6.000 . 6.000 4.519 4.189 4.849 . 0 0 "[ . 1]" 1
778 1 100 LYS QB 1 101 ALA H 4.900 . 4.900 2.968 2.555 3.571 . 0 0 "[ . 1]" 1
779 1 100 LYS HA 1 101 ALA H 4.200 . 4.200 3.472 3.428 3.516 . 0 0 "[ . 1]" 1
780 1 100 LYS QG 1 101 ALA H 6.700 . 6.700 3.584 2.926 3.858 . 0 0 "[ . 1]" 1
781 1 101 ALA H 1 102 MET H . . 3.900 2.631 2.553 2.668 . 0 0 "[ . 1]" 1
782 1 101 ALA HA 1 102 MET H . . 4.200 3.484 3.463 3.578 . 0 0 "[ . 1]" 1
783 1 101 ALA MB 1 102 MET H . . 4.500 3.020 2.711 3.091 . 0 0 "[ . 1]" 1
784 1 102 MET HA 1 102 MET ME 5.200 . 5.200 2.954 2.454 4.936 . 0 0 "[ . 1]" 1
785 1 102 MET H 1 102 MET QG 4.200 . 4.200 4.045 3.817 4.166 . 0 0 "[ . 1]" 1
786 1 102 MET H 1 102 MET ME 7.000 . 7.000 4.877 4.058 5.149 . 0 0 "[ . 1]" 1
787 1 98 ALA MB 1 102 MET QB 5.900 . 5.900 4.128 3.383 5.011 . 0 0 "[ . 1]" 1
788 1 98 ALA MB 1 102 MET QG 5.900 . 5.900 5.022 4.160 5.836 . 0 0 "[ . 1]" 1
789 1 98 ALA MB 1 102 MET H 6.000 . 6.000 5.076 4.729 5.459 . 0 0 "[ . 1]" 1
790 1 99 ILE HA 1 102 MET H 6.000 . 6.000 3.715 3.577 3.805 . 0 0 "[ . 1]" 1
791 1 99 ILE HA 1 102 MET HA 6.000 . 6.000 6.075 6.008 6.127 0.127 3 0 "[ . 1]" 1
792 1 101 ALA H 1 102 MET ME 7.000 . 7.000 6.875 5.732 7.040 0.040 9 0 "[ . 1]" 1
793 1 102 MET H 1 103 ASN HA 6.000 . 6.000 5.191 5.136 5.259 . 0 0 "[ . 1]" 1
794 1 102 MET H 1 103 ASN QB 6.700 . 6.700 6.084 5.980 6.248 . 0 0 "[ . 1]" 1
795 1 102 MET ME 1 105 PHE QD 8.400 . 8.400 7.017 6.629 7.166 . 0 0 "[ . 1]" 1
796 1 102 MET ME 1 105 PHE QB 6.400 . 6.400 6.378 6.115 6.456 0.056 1 0 "[ . 1]" 1
797 1 52 PHE QD 1 102 MET QG 9.400 . 9.400 9.557 9.483 9.616 0.216 8 0 "[ . 1]" 1
798 1 61 PHE QD 1 102 MET QG 7.400 . 7.400 3.655 2.744 5.519 . 0 0 "[ . 1]" 1
799 1 61 PHE QD 1 102 MET QB 7.400 . 7.400 3.951 3.208 5.075 . 0 0 "[ . 1]" 1
800 1 61 PHE QE 1 102 MET H 7.400 . 7.400 5.967 4.053 7.224 . 0 0 "[ . 1]" 1
801 1 102 MET H 1 114 VAL QG 6.600 . 6.600 3.555 3.398 3.894 . 0 0 "[ . 1]" 1
802 1 102 MET H 1 103 ASN H 5.000 . 5.000 4.317 4.281 4.395 . 0 0 "[ . 1]" 1
803 1 102 MET QG 1 103 ASN H 6.700 . 6.700 2.862 2.484 3.220 . 0 0 "[ . 1]" 1
804 1 102 MET QB 1 103 ASN H 6.700 . 6.700 3.630 3.237 3.723 . 0 0 "[ . 1]" 1
805 1 102 MET ME 1 103 ASN H 6.900 . 6.900 2.439 1.838 4.571 . 0 0 "[ . 1]" 1
806 1 102 MET HA 1 103 ASN H 5.000 . 5.000 2.042 2.014 2.073 . 0 0 "[ . 1]" 1
807 1 103 ASN H 1 104 GLY H . . 5.000 4.642 4.573 4.668 . 0 0 "[ . 1]" 1
808 1 103 ASN HA 1 104 GLY H . . 3.500 2.556 2.530 2.594 . 0 0 "[ . 1]" 1
809 1 45 ILE MD 1 103 ASN HA 7.000 . 7.000 6.613 6.165 7.073 0.073 5 0 "[ . 1]" 1
810 1 103 ASN H 1 114 VAL QG 6.600 . 6.600 3.616 3.430 3.804 . 0 0 "[ . 1]" 1
811 1 103 ASN HA 1 114 VAL HA 6.000 . 6.000 4.664 4.450 5.048 . 0 0 "[ . 1]" 1
812 1 103 ASN QD 1 114 VAL MG2 8.100 . 8.100 5.455 4.537 6.307 . 0 0 "[ . 1]" 1
813 1 103 ASN HB3 1 104 GLY QA 6.000 . 6.000 4.436 4.103 5.294 . 0 0 "[ . 1]" 1
814 1 103 ASN QB 1 104 GLY H 6.700 . 6.700 2.634 2.607 2.659 . 0 0 "[ . 1]" 1
815 1 104 GLY H 1 105 PHE HB3 6.000 . 6.000 5.022 4.842 5.396 . 0 0 "[ . 1]" 1
816 1 104 GLY QA 1 105 PHE H . . 4.900 3.017 2.959 3.049 . 0 0 "[ . 1]" 1
817 1 104 GLY H 1 105 PHE QD 8.400 . 8.400 6.094 5.996 6.193 . 0 0 "[ . 1]" 1
818 1 45 ILE MD 1 104 GLY H 7.000 . 7.000 5.488 4.633 6.041 . 0 0 "[ . 1]" 1
819 1 48 LEU HG 1 104 GLY QA 6.700 . 6.700 6.661 6.277 6.875 0.175 1 0 "[ . 1]" 1
820 1 57 LEU HB3 1 104 GLY H 6.000 . 6.000 5.951 5.625 6.051 0.051 9 0 "[ . 1]" 1
821 1 104 GLY H 1 112 LEU HB2 5.000 . 5.000 3.771 3.165 4.289 . 0 0 "[ . 1]" 1
822 1 104 GLY H 1 112 LEU H 6.000 . 6.000 3.843 3.636 4.248 . 0 0 "[ . 1]" 1
823 1 104 GLY H 1 113 LYS HA 6.000 . 6.000 5.228 5.060 5.456 . 0 0 "[ . 1]" 1
824 1 104 GLY H 1 114 VAL H 6.000 . 6.000 4.414 4.254 4.572 . 0 0 "[ . 1]" 1
825 1 104 GLY H 1 114 VAL HB 6.000 . 6.000 3.132 2.951 3.262 . 0 0 "[ . 1]" 1
826 1 104 GLY H 1 114 VAL QG 7.400 . 7.400 3.656 3.433 3.776 . 0 0 "[ . 1]" 1
827 1 105 PHE HA 1 105 PHE QE 5.900 . 5.900 4.185 4.098 4.355 . 0 0 "[ . 1]" 1
828 1 102 MET ME 1 105 PHE HA 7.000 . 7.000 5.891 5.636 6.130 . 0 0 "[ . 1]" 1
829 1 103 ASN HA 1 105 PHE H 6.000 . 6.000 4.536 4.466 4.643 . 0 0 "[ . 1]" 1
830 1 104 GLY H 1 105 PHE H 3.500 . 3.500 2.336 2.266 2.405 . 0 0 "[ . 1]" 1
831 1 105 PHE HA 1 106 GLN QB . . 5.700 4.056 3.912 4.678 . 0 0 "[ . 1]" 1
832 1 52 PHE HZ 1 105 PHE QB 5.700 . 5.700 4.718 3.240 5.637 . 0 0 "[ . 1]" 1
833 1 105 PHE H 1 111 ARG HA 6.000 . 6.000 4.092 3.879 4.539 . 0 0 "[ . 1]" 1
834 1 105 PHE H 1 113 LYS HA 6.000 . 6.000 6.209 6.153 6.261 0.261 6 0 "[ . 1]" 1
835 1 105 PHE H 1 114 VAL H 6.000 . 6.000 6.127 6.083 6.169 0.169 2 0 "[ . 1]" 1
836 1 106 GLN H 1 106 GLN QG 4.200 . 4.200 3.490 1.767 4.060 . 0 0 "[ . 1]" 1
837 1 106 GLN H 1 106 GLN QE 5.700 . 5.700 3.488 2.782 3.995 . 0 0 "[ . 1]" 1
838 1 102 MET ME 1 106 GLN H 7.000 . 7.000 5.901 5.522 7.011 0.011 3 0 "[ . 1]" 1
839 1 103 ASN HA 1 106 GLN QE 6.700 . 6.700 5.947 5.083 6.712 0.012 1 0 "[ . 1]" 1
840 1 105 PHE HA 1 106 GLN QE 4.900 . 4.900 4.373 3.694 4.917 0.017 4 0 "[ . 1]" 1
841 1 105 PHE HZ 1 106 GLN QB 6.700 . 6.700 6.780 6.751 6.849 0.149 1 0 "[ . 1]" 1
842 1 105 PHE QB 1 106 GLN H 4.900 . 4.900 3.792 3.705 3.839 . 0 0 "[ . 1]" 1
843 1 106 GLN H 1 107 VAL H 4.200 . 4.200 4.263 4.242 4.311 0.111 1 0 "[ . 1]" 1
844 1 106 GLN QB 1 107 VAL H . . 4.900 3.574 3.145 3.681 . 0 0 "[ . 1]" 1
845 1 106 GLN QG 1 107 VAL H . . 4.900 3.771 3.271 4.432 . 0 0 "[ . 1]" 1
846 1 106 GLN H 1 111 ARG HA 6.000 . 6.000 5.182 5.015 5.249 . 0 0 "[ . 1]" 1
847 1 106 GLN H 1 111 ARG QG 6.000 . 6.000 5.444 5.418 5.460 . 0 0 "[ . 1]" 1
848 1 106 GLN QE 1 111 ARG HG2 6.700 . 6.700 4.587 2.441 6.175 . 0 0 "[ . 1]" 1
849 1 106 GLN QB 1 111 ARG HA 5.700 . 5.700 5.370 4.261 5.577 . 0 0 "[ . 1]" 1
850 1 106 GLN QG 1 111 ARG HA 4.900 . 4.900 4.466 4.193 4.949 0.049 1 0 "[ . 1]" 1
851 1 106 GLN H 1 112 LEU H 6.000 . 6.000 5.039 4.708 5.125 . 0 0 "[ . 1]" 1
852 1 106 GLN H 1 114 VAL QG 8.400 . 8.400 8.129 7.897 8.256 . 0 0 "[ . 1]" 1
853 1 107 VAL H 1 107 VAL HB 3.500 . 3.500 2.859 2.596 3.106 . 0 0 "[ . 1]" 1
854 1 105 PHE HZ 1 107 VAL QG 8.400 . 8.400 2.743 2.265 3.925 . 0 0 "[ . 1]" 1
855 1 105 PHE QB 1 107 VAL QG 8.400 . 8.400 3.731 3.301 4.397 . 0 0 "[ . 1]" 1
856 1 105 PHE QB 1 107 VAL HB 6.700 . 6.700 5.834 5.281 6.132 . 0 0 "[ . 1]" 1
857 1 105 PHE HB3 1 107 VAL H 6.000 . 6.000 5.315 5.040 5.636 . 0 0 "[ . 1]" 1
858 1 105 PHE QD 1 107 VAL H 8.400 . 8.400 4.742 3.803 5.050 . 0 0 "[ . 1]" 1
859 1 106 GLN HG2 1 107 VAL HA 6.000 . 6.000 5.929 5.696 6.222 0.222 1 0 "[ . 1]" 1
860 1 106 GLN HA 1 107 VAL H 3.500 . 3.500 2.137 2.073 2.161 . 0 0 "[ . 1]" 1
861 1 107 VAL HA 1 108 GLY H 4.200 . 4.200 2.506 2.494 2.513 . 0 0 "[ . 1]" 1
862 1 107 VAL HA 1 108 GLY HA2 5.000 . 5.000 4.336 4.308 4.358 . 0 0 "[ . 1]" 1
863 1 107 VAL H 1 108 GLY H 4.900 . 4.900 4.502 4.434 4.516 . 0 0 "[ . 1]" 1
864 1 107 VAL H 1 108 GLY QA 4.900 . 4.900 4.777 4.748 4.800 . 0 0 "[ . 1]" 1
865 1 48 LEU QD 1 107 VAL H 8.400 . 8.400 6.332 3.445 7.850 . 0 0 "[ . 1]" 1
866 1 107 VAL H 1 111 ARG HG2 6.000 . 6.000 5.940 5.874 6.019 0.019 1 0 "[ . 1]" 1
867 1 107 VAL H 1 112 LEU H 6.000 . 6.000 5.522 5.257 5.678 . 0 0 "[ . 1]" 1
868 1 106 GLN QG 1 108 GLY H 6.700 . 6.700 6.624 6.060 6.887 0.187 1 0 "[ . 1]" 1
869 1 107 VAL QG 1 108 GLY QA 8.400 . 8.400 3.372 3.093 3.640 . 0 0 "[ . 1]" 1
870 1 107 VAL HB 1 108 GLY QA 6.700 . 6.700 4.623 4.327 5.239 . 0 0 "[ . 1]" 1
871 1 107 VAL QG 1 108 GLY H 5.900 . 5.900 2.057 1.952 2.193 . 0 0 "[ . 1]" 1
872 1 108 GLY H 1 109 THR H 3.900 . 3.900 3.025 2.951 3.098 . 0 0 "[ . 1]" 1
873 1 108 GLY QA 1 109 THR HA 4.900 . 4.900 4.004 3.996 4.010 . 0 0 "[ . 1]" 1
874 1 108 GLY QA 1 110 LYS HA 6.700 . 6.700 6.807 6.797 6.829 0.129 8 0 "[ . 1]" 1
875 1 109 THR H 1 109 THR HG1 4.500 . 4.500 2.788 2.365 3.329 . 0 0 "[ . 1]" 1
876 1 107 VAL QG 1 109 THR HB 7.400 . 7.400 5.278 4.440 5.599 . 0 0 "[ . 1]" 1
877 1 109 THR H 1 110 LYS HB2 5.000 . 5.000 3.502 3.247 4.560 . 0 0 "[ . 1]" 1
878 1 109 THR H 1 110 LYS HD3 5.000 . 5.000 4.391 3.847 4.918 . 0 0 "[ . 1]" 1
879 1 109 THR H 1 110 LYS HE3 6.000 . 6.000 6.041 5.850 6.107 0.107 5 0 "[ . 1]" 1
880 1 109 THR HB 1 110 LYS H . . 4.200 4.149 4.125 4.163 . 0 0 "[ . 1]" 1
881 1 109 THR H 1 110 LYS H 3.500 . 3.500 3.189 3.175 3.199 . 0 0 "[ . 1]" 1
882 1 110 LYS H 1 110 LYS QE 6.700 . 6.700 5.954 5.733 6.303 . 0 0 "[ . 1]" 1
883 1 110 LYS H 1 110 LYS QD 5.700 . 5.700 4.693 4.237 4.842 . 0 0 "[ . 1]" 1
884 1 110 LYS H 1 110 LYS HD3 5.000 . 5.000 5.013 4.707 5.098 0.098 9 0 "[ . 1]" 1
885 1 50 GLN H 1 110 LYS QE 6.700 . 6.700 6.858 6.810 6.948 0.248 5 0 "[ . 1]" 1
886 1 106 GLN QG 1 110 LYS H 6.700 . 6.700 5.535 4.894 6.711 0.011 1 0 "[ . 1]" 1
887 1 107 VAL HA 1 110 LYS H 5.000 . 5.000 4.983 4.909 5.034 0.034 1 0 "[ . 1]" 1
888 1 107 VAL QG 1 110 LYS H 7.400 . 7.400 3.737 3.303 3.885 . 0 0 "[ . 1]" 1
889 1 107 VAL HA 1 110 LYS QB 5.700 . 5.700 4.133 4.060 4.267 . 0 0 "[ . 1]" 1
890 1 107 VAL H 1 110 LYS QG 5.700 . 5.700 4.837 3.901 5.239 . 0 0 "[ . 1]" 1
891 1 107 VAL HA 1 110 LYS QD 5.700 . 5.700 5.429 4.288 5.940 0.240 8 0 "[ . 1]" 1
892 1 107 VAL QG 1 110 LYS QE 8.400 . 8.400 2.270 1.890 3.017 . 0 0 "[ . 1]" 1
893 1 107 VAL H 1 110 LYS H 4.200 . 4.200 2.980 2.945 3.014 . 0 0 "[ . 1]" 1
894 1 108 GLY H 1 110 LYS H 6.000 . 6.000 5.177 5.132 5.222 . 0 0 "[ . 1]" 1
895 1 108 GLY HA2 1 110 LYS H 5.000 . 5.000 5.031 5.010 5.038 0.038 3 0 "[ . 1]" 1
896 1 109 THR HA 1 110 LYS QG 5.700 . 5.700 5.165 3.977 5.656 . 0 0 "[ . 1]" 1
897 1 109 THR HA 1 110 LYS H 3.900 . 3.900 2.300 2.289 2.309 . 0 0 "[ . 1]" 1
898 1 109 THR HG1 1 110 LYS H 6.000 . 6.000 3.966 3.892 4.054 . 0 0 "[ . 1]" 1
899 1 110 LYS QG 1 111 ARG HA 5.700 . 5.700 5.032 4.665 5.740 0.040 9 0 "[ . 1]" 1
900 1 110 LYS H 1 111 ARG H 4.200 . 4.200 3.896 3.814 4.222 0.022 1 0 "[ . 1]" 1
901 1 110 LYS H 1 111 ARG HB2 4.200 . 4.200 4.304 4.274 4.329 0.129 5 0 "[ . 1]" 1
902 1 110 LYS QD 1 111 ARG HA 6.700 . 6.700 6.453 6.092 6.663 . 0 0 "[ . 1]" 1
903 1 111 ARG HA 1 111 ARG QD 4.900 . 4.900 3.915 3.881 3.973 . 0 0 "[ . 1]" 1
904 1 111 ARG H 1 111 ARG QG 4.900 . 4.900 4.085 4.025 4.176 . 0 0 "[ . 1]" 1
905 1 111 ARG H 1 111 ARG HD2 5.000 . 5.000 5.123 5.083 5.153 0.153 4 0 "[ . 1]" 1
906 1 47 HIS HB2 1 111 ARG H 6.000 . 6.000 5.549 5.098 5.756 . 0 0 "[ . 1]" 1
907 1 47 HIS HB2 1 111 ARG QB 5.700 . 5.700 5.720 5.619 5.771 0.071 3 0 "[ . 1]" 1
908 1 47 HIS HB2 1 111 ARG QG 6.700 . 6.700 5.725 5.573 5.857 . 0 0 "[ . 1]" 1
909 1 106 GLN HG2 1 111 ARG QD 6.700 . 6.700 6.575 6.327 6.712 0.012 4 0 "[ . 1]" 1
910 1 106 GLN HA 1 111 ARG QB 6.700 . 6.700 4.868 4.372 4.994 . 0 0 "[ . 1]" 1
911 1 107 VAL H 1 111 ARG H 6.000 . 6.000 5.269 5.069 5.317 . 0 0 "[ . 1]" 1
912 1 107 VAL H 1 111 ARG QG 6.700 . 6.700 4.895 4.739 5.164 . 0 0 "[ . 1]" 1
913 1 110 LYS HA 1 111 ARG QG 5.700 . 5.700 5.607 5.540 5.704 0.004 1 0 "[ . 1]" 1
914 1 110 LYS HA 1 111 ARG H 3.500 . 3.500 2.286 2.260 2.384 . 0 0 "[ . 1]" 1
915 1 110 LYS QB 1 111 ARG H 4.900 . 4.900 3.641 3.037 3.864 . 0 0 "[ . 1]" 1
916 1 111 ARG H 1 112 LEU H 5.000 . 5.000 4.330 4.172 4.383 . 0 0 "[ . 1]" 1
917 1 111 ARG QB 1 112 LEU HA 6.700 . 6.700 4.682 4.609 4.789 . 0 0 "[ . 1]" 1
918 1 112 LEU H 1 112 LEU HG 4.200 . 4.200 4.216 4.025 4.381 0.181 1 0 "[ . 1]" 1
919 1 112 LEU HA 1 112 LEU HG 3.500 . 3.500 2.962 2.401 3.527 0.027 7 0 "[ . 1]" 1
920 1 47 HIS H 1 112 LEU QB 6.700 . 6.700 3.958 3.312 4.526 . 0 0 "[ . 1]" 1
921 1 48 LEU HA 1 112 LEU MD2 6.600 . 6.600 5.823 5.142 6.504 . 0 0 "[ . 1]" 1
922 1 105 PHE QD 1 112 LEU HA 8.400 . 8.400 4.739 4.248 5.694 . 0 0 "[ . 1]" 1
923 1 105 PHE H 1 112 LEU QB 6.700 . 6.700 1.577 1.361 1.772 . 0 0 "[ . 1]" 1
924 1 105 PHE HA 1 112 LEU MD1 6.600 . 6.600 4.544 3.368 5.619 . 0 0 "[ . 1]" 1
925 1 105 PHE QB 1 112 LEU QD 7.400 . 7.400 2.090 1.501 2.409 . 0 0 "[ . 1]" 1
926 1 105 PHE H 1 112 LEU MD2 8.400 . 8.400 3.126 2.164 4.187 . 0 0 "[ . 1]" 1
927 1 105 PHE HZ 1 112 LEU MD2 8.400 . 8.400 7.730 6.886 8.431 0.031 5 0 "[ . 1]" 1
928 1 105 PHE H 1 112 LEU H 6.000 . 6.000 2.359 2.214 2.629 . 0 0 "[ . 1]" 1
929 1 105 PHE QD 1 112 LEU MD2 8.400 . 8.400 4.491 3.587 5.208 . 0 0 "[ . 1]" 1
930 1 106 GLN HG3 1 112 LEU H 6.000 . 6.000 5.508 5.154 6.235 0.235 1 0 "[ . 1]" 1
931 1 111 ARG HA 1 112 LEU H 3.500 . 3.500 2.131 2.106 2.166 . 0 0 "[ . 1]" 1
932 1 111 ARG QB 1 112 LEU H 5.700 . 5.700 3.579 3.484 3.726 . 0 0 "[ . 1]" 1
933 1 111 ARG HA 1 112 LEU QD 6.600 . 6.600 5.066 4.423 5.169 . 0 0 "[ . 1]" 1
934 1 111 ARG QG 1 112 LEU H 6.700 . 6.700 2.480 2.339 2.615 . 0 0 "[ . 1]" 1
935 1 112 LEU MD1 1 114 VAL H 8.400 . 8.400 5.068 3.927 6.600 . 0 0 "[ . 1]" 1
936 1 112 LEU MD2 1 114 VAL HB 7.400 . 7.400 3.654 2.693 4.382 . 0 0 "[ . 1]" 1
937 1 113 LYS HA 1 113 LYS QE 4.900 . 4.900 2.889 2.454 3.421 . 0 0 "[ . 1]" 1
938 1 113 LYS H 1 113 LYS QG 4.900 . 4.900 3.163 1.733 3.823 . 0 0 "[ . 1]" 1
939 1 44 PHE QD 1 113 LYS H 7.400 . 7.400 7.129 6.956 7.404 0.004 4 0 "[ . 1]" 1
940 1 44 PHE QE 1 113 LYS H 7.400 . 7.400 7.156 6.970 7.502 0.102 7 0 "[ . 1]" 1
941 1 44 PHE QE 1 113 LYS QE 8.400 . 8.400 7.280 6.771 8.025 . 0 0 "[ . 1]" 1
942 1 46 TYR H 1 113 LYS H 3.500 . 3.500 2.997 2.904 3.203 . 0 0 "[ . 1]" 1
943 1 46 TYR QD 1 113 LYS H 7.400 . 7.400 4.614 4.051 5.912 . 0 0 "[ . 1]" 1
944 1 46 TYR QD 1 113 LYS QB 7.400 . 7.400 3.420 2.571 5.625 . 0 0 "[ . 1]" 1
945 1 46 TYR QD 1 113 LYS QG 8.400 . 8.400 4.194 3.011 4.499 . 0 0 "[ . 1]" 1
946 1 46 TYR QE 1 113 LYS QG 8.400 . 8.400 3.541 2.560 5.998 . 0 0 "[ . 1]" 1
947 1 46 TYR H 1 113 LYS QB 6.700 . 6.700 3.169 2.770 3.822 . 0 0 "[ . 1]" 1
948 1 46 TYR QD 1 113 LYS QE 8.400 . 8.400 4.574 4.004 6.041 . 0 0 "[ . 1]" 1
949 1 46 TYR HA 1 113 LYS QE 5.700 . 5.700 5.785 5.739 5.830 0.130 1 0 "[ . 1]" 1
950 1 46 TYR HA 1 113 LYS H 5.000 . 5.000 4.797 4.663 4.957 . 0 0 "[ . 1]" 1
951 1 47 HIS QB 1 113 LYS H 3.900 . 3.900 2.309 2.177 2.413 . 0 0 "[ . 1]" 1
952 1 47 HIS HA 1 113 LYS H 6.000 . 6.000 3.807 3.704 3.882 . 0 0 "[ . 1]" 1
953 1 104 GLY H 1 113 LYS H 6.000 . 6.000 5.360 5.223 5.536 . 0 0 "[ . 1]" 1
954 1 111 ARG HE 1 113 LYS QE 6.700 . 6.700 6.740 6.724 6.766 0.066 4 0 "[ . 1]" 1
955 1 112 LEU QD 1 113 LYS H 6.600 . 6.600 2.251 1.656 3.378 . 0 0 "[ . 1]" 1
956 1 112 LEU QB 1 113 LYS H 4.900 . 4.900 3.523 3.454 3.569 . 0 0 "[ . 1]" 1
957 1 113 LYS QG 1 114 VAL H 5.700 . 5.700 3.963 3.585 4.723 . 0 0 "[ . 1]" 1
958 1 113 LYS QB 1 114 VAL H 6.700 . 6.700 3.644 3.498 3.759 . 0 0 "[ . 1]" 1
959 1 113 LYS QB 1 114 VAL HA 6.700 . 6.700 4.385 4.286 4.564 . 0 0 "[ . 1]" 1
960 1 113 LYS HA 1 114 VAL H 4.200 . 4.200 2.186 2.147 2.236 . 0 0 "[ . 1]" 1
961 1 45 ILE MD 1 114 VAL MG1 8.400 . 8.400 5.837 5.506 5.976 . 0 0 "[ . 1]" 1
962 1 45 ILE HA 1 114 VAL HA 3.500 . 3.500 2.872 2.731 2.970 . 0 0 "[ . 1]" 1
963 1 45 ILE HB 1 114 VAL H 5.000 . 5.000 5.012 4.908 5.104 0.104 8 0 "[ . 1]" 1
964 1 46 TYR H 1 114 VAL MG1 8.400 . 8.400 6.211 6.068 6.279 . 0 0 "[ . 1]" 1
965 1 46 TYR H 1 114 VAL HA 4.200 . 4.200 4.290 4.233 4.346 0.146 1 0 "[ . 1]" 1
966 1 61 PHE QE 1 114 VAL MG2 8.400 . 8.400 3.905 2.978 4.609 . 0 0 "[ . 1]" 1
967 1 61 PHE QE 1 114 VAL HA 8.400 . 8.400 6.565 5.858 7.046 . 0 0 "[ . 1]" 1
968 1 61 PHE QE 1 114 VAL H 8.400 . 8.400 8.071 7.523 8.488 0.088 8 0 "[ . 1]" 1
969 1 103 ASN HA 1 114 VAL H 5.000 . 5.000 3.575 3.520 3.795 . 0 0 "[ . 1]" 1
970 1 103 ASN HA 1 114 VAL MG1 7.400 . 7.400 2.129 1.851 2.378 . 0 0 "[ . 1]" 1
971 1 103 ASN H 1 114 VAL H 6.000 . 6.000 6.145 6.110 6.196 0.196 10 0 "[ . 1]" 1
972 1 105 PHE QB 1 114 VAL MG2 8.400 . 8.400 6.951 6.822 7.260 . 0 0 "[ . 1]" 1
973 1 105 PHE H 1 114 VAL MG2 7.400 . 7.400 6.198 5.972 6.499 . 0 0 "[ . 1]" 1
974 1 105 PHE QD 1 114 VAL MG2 8.400 . 8.400 8.408 8.302 8.448 0.048 4 0 "[ . 1]" 1
975 1 105 PHE QB 1 114 VAL HB 6.700 . 6.700 6.683 6.566 6.760 0.060 10 0 "[ . 1]" 1
976 1 112 LEU HB3 1 114 VAL MG1 7.400 . 7.400 5.411 4.633 5.909 . 0 0 "[ . 1]" 1
977 1 112 LEU HB3 1 114 VAL H 6.000 . 6.000 5.082 4.542 5.601 . 0 0 "[ . 1]" 1
978 1 113 LYS HA 1 114 VAL HB 6.000 . 6.000 4.584 4.392 4.823 . 0 0 "[ . 1]" 1
979 1 113 LYS H 1 114 VAL H 6.000 . 6.000 4.370 4.330 4.430 . 0 0 "[ . 1]" 1
980 1 114 VAL H 1 114 VAL HB 3.500 . 3.500 2.673 2.504 2.910 . 0 0 "[ . 1]" 1
981 1 114 VAL H 1 115 GLN H 4.200 . 4.200 4.250 4.202 4.325 0.125 3 0 "[ . 1]" 1
982 1 114 VAL HA 1 115 GLN H . . 3.500 2.141 2.101 2.180 . 0 0 "[ . 1]" 1
983 1 114 VAL HB 1 115 GLN H 6.000 . 6.000 4.434 4.361 4.521 . 0 0 "[ . 1]" 1
984 1 114 VAL QG 1 115 GLN H 7.400 . 7.400 3.043 2.943 3.161 . 0 0 "[ . 1]" 1
985 1 114 VAL H 1 116 LEU QB 6.700 . 6.700 6.875 6.799 6.967 0.267 4 0 "[ . 1]" 1
986 1 115 GLN H 1 115 GLN QG 4.200 . 4.200 2.753 2.302 3.125 . 0 0 "[ . 1]" 1
987 1 44 PHE QB 1 115 GLN QB 6.700 . 6.700 3.144 2.872 4.030 . 0 0 "[ . 1]" 1
988 1 44 PHE H 1 115 GLN H 3.500 . 3.500 3.565 3.536 3.584 0.084 4 0 "[ . 1]" 1
989 1 44 PHE QB 1 115 GLN H 6.700 . 6.700 4.478 4.319 4.642 . 0 0 "[ . 1]" 1
990 1 44 PHE QB 1 115 GLN QE 6.400 . 6.400 5.817 3.681 6.400 0.000 5 0 "[ . 1]" 1
991 1 44 PHE QB 1 115 GLN QG 6.700 . 6.700 4.253 2.153 4.697 . 0 0 "[ . 1]" 1
992 1 45 ILE MD 1 115 GLN H 7.000 . 7.000 4.794 4.600 5.578 . 0 0 "[ . 1]" 1
993 1 45 ILE H 1 115 GLN QG 6.700 . 6.700 5.755 4.385 6.333 . 0 0 "[ . 1]" 1
994 1 45 ILE HA 1 115 GLN H 4.200 . 4.200 2.809 2.715 2.868 . 0 0 "[ . 1]" 1
995 1 46 TYR QD 1 115 GLN QG 8.400 . 8.400 3.710 3.208 4.953 . 0 0 "[ . 1]" 1
996 1 46 TYR QE 1 115 GLN QG 8.400 . 8.400 4.288 3.354 6.630 . 0 0 "[ . 1]" 1
997 1 46 TYR QD 1 115 GLN QB 8.400 . 8.400 4.801 4.509 5.330 . 0 0 "[ . 1]" 1
998 1 46 TYR QE 1 115 GLN QB 8.400 . 8.400 5.533 4.686 6.695 . 0 0 "[ . 1]" 1
999 1 46 TYR QE 1 115 GLN H 8.400 . 8.400 6.560 5.923 8.325 . 0 0 "[ . 1]" 1
1000 1 46 TYR QD 1 115 GLN H 8.400 . 8.400 5.369 4.951 6.512 . 0 0 "[ . 1]" 1
1001 1 46 TYR QD 1 115 GLN QE 6.700 . 6.700 4.838 3.921 6.110 . 0 0 "[ . 1]" 1
1002 1 113 LYS HG2 1 115 GLN H 6.000 . 6.000 6.002 5.510 6.149 0.149 4 0 "[ . 1]" 1
1003 1 113 LYS HD2 1 115 GLN QE 6.700 . 6.700 5.859 3.603 6.714 0.014 3 0 "[ . 1]" 1
1004 1 113 LYS HG3 1 115 GLN QE 6.700 . 6.700 5.134 3.977 6.737 0.037 8 0 "[ . 1]" 1
1005 1 113 LYS HG3 1 115 GLN QB 6.700 . 6.700 6.385 5.685 6.780 0.080 1 0 "[ . 1]" 1
1006 1 114 VAL H 1 115 GLN QG 5.700 . 5.700 4.606 4.183 5.822 0.122 8 0 "[ . 1]" 1
1007 1 114 VAL HA 1 115 GLN QG 6.700 . 6.700 4.068 3.778 4.392 . 0 0 "[ . 1]" 1
1008 1 114 VAL H 1 115 GLN HA 6.000 . 6.000 5.148 5.058 5.274 . 0 0 "[ . 1]" 1
1009 1 114 VAL H 1 115 GLN QB 5.700 . 5.700 5.739 5.222 5.843 0.143 2 0 "[ . 1]" 1
1010 1 114 VAL HA 1 115 GLN QB 6.700 . 6.700 4.336 4.190 4.439 . 0 0 "[ . 1]" 1
1011 1 116 LEU H 1 116 LEU HG 5.000 . 5.000 3.804 2.867 4.470 . 0 0 "[ . 1]" 1
1012 1 43 LEU HA 1 116 LEU HA 3.500 . 3.500 2.782 2.425 3.103 . 0 0 "[ . 1]" 1
1013 1 43 LEU HG 1 116 LEU H 6.000 . 6.000 5.662 4.451 6.097 0.097 9 0 "[ . 1]" 1
1014 1 43 LEU QD 1 116 LEU H 6.600 . 6.600 3.559 2.893 5.161 . 0 0 "[ . 1]" 1
1015 1 43 LEU HA 1 116 LEU QD 7.400 . 7.400 4.543 2.895 5.266 . 0 0 "[ . 1]" 1
1016 1 43 LEU QD 1 116 LEU HA 6.600 . 6.600 2.522 1.504 4.041 . 0 0 "[ . 1]" 1
1017 1 44 PHE H 1 116 LEU H 6.000 . 6.000 5.191 5.033 5.317 . 0 0 "[ . 1]" 1
1018 1 61 PHE HZ 1 116 LEU QD 8.400 . 8.400 6.818 5.383 8.484 0.084 10 0 "[ . 1]" 1
1019 1 96 GLN QE 1 116 LEU QD 6.400 . 6.400 4.332 3.635 5.267 . 0 0 "[ . 1]" 1
1020 1 115 GLN HA 1 116 LEU H 4.200 . 4.200 2.180 2.086 2.223 . 0 0 "[ . 1]" 1
1021 1 115 GLN QB 1 116 LEU H 4.200 . 4.200 3.561 3.223 3.666 . 0 0 "[ . 1]" 1
1022 1 116 LEU HA 1 117 LYS H . . 4.200 2.230 2.133 2.331 . 0 0 "[ . 1]" 1
1023 1 116 LEU H 1 117 LYS H 5.000 . 5.000 4.619 4.586 4.642 . 0 0 "[ . 1]" 1
1024 1 116 LEU QB 1 117 LYS H 6.700 . 6.700 3.274 2.653 3.682 . 0 0 "[ . 1]" 1
1025 1 116 LEU QB 1 117 LYS HA 5.700 . 5.700 4.585 4.483 4.720 . 0 0 "[ . 1]" 1
1026 1 116 LEU QD 1 117 LYS H . . 7.400 2.653 1.908 3.190 . 0 0 "[ . 1]" 1
1027 1 115 GLN QG 1 116 LEU QD 8.400 . 8.400 6.155 5.715 6.505 . 0 0 "[ . 1]" 1
1028 1 117 LYS H 1 117 LYS QG 4.900 . 4.900 2.811 2.343 4.074 . 0 0 "[ . 1]" 1
1029 1 42 ASN H 1 117 LYS H 4.200 . 4.200 4.285 4.226 4.385 0.185 4 0 "[ . 1]" 1
1030 1 42 ASN QB 1 117 LYS QD 7.400 . 7.400 3.298 1.969 4.996 . 0 0 "[ . 1]" 1
1031 1 43 LEU HA 1 117 LYS H 4.200 . 4.200 3.234 3.084 3.417 . 0 0 "[ . 1]" 1
1032 1 116 LEU HB2 1 117 LYS H 5.000 . 5.000 3.512 2.692 4.049 . 0 0 "[ . 1]" 1
1033 1 116 LEU HA 1 117 LYS QB 6.700 . 6.700 4.144 3.904 4.510 . 0 0 "[ . 1]" 1
1034 1 116 LEU H 1 117 LYS QD 6.700 . 6.700 6.276 5.257 6.747 0.047 8 0 "[ . 1]" 1
1035 1 118 LYS H 1 118 LYS QD . . 4.900 3.680 2.104 4.329 . 0 0 "[ . 1]" 1
1036 1 118 LYS H 1 118 LYS QG 4.900 . 4.900 2.066 1.767 2.415 . 0 0 "[ . 1]" 1
1037 1 118 LYS H 1 118 LYS HE3 6.000 . 6.000 4.120 3.042 5.156 . 0 0 "[ . 1]" 1
1038 1 41 CYS HA 1 118 LYS H 6.000 . 6.000 5.569 5.399 5.742 . 0 0 "[ . 1]" 1
1039 1 42 ASN H 1 118 LYS H 6.000 . 6.000 5.389 5.253 5.534 . 0 0 "[ . 1]" 1
1040 1 99 ILE MD 1 118 LYS H 7.000 . 7.000 5.509 4.939 6.176 . 0 0 "[ . 1]" 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 132
_Distance_constraint_stats_list.Viol_count 1320
_Distance_constraint_stats_list.Viol_total 1752.197
_Distance_constraint_stats_list.Viol_max 0.925
_Distance_constraint_stats_list.Viol_rms 0.1458
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1327
_Distance_constraint_stats_list.Viol_average_violations_only 0.1327
_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 41 CYS 15.861 0.441 5 0 "[ . 1]"
1 42 ASN 11.769 0.335 10 0 "[ . 1]"
1 43 LEU 5.197 0.220 5 0 "[ . 1]"
1 44 PHE 4.968 0.155 4 0 "[ . 1]"
1 45 ILE 7.576 0.259 8 0 "[ . 1]"
1 46 TYR 24.961 0.925 1 10 [+*-*******]
1 47 HIS 29.034 0.794 1 5 "[+ ** -*]"
1 54 ASP 0.785 0.049 6 0 "[ . 1]"
1 55 THR 4.114 0.235 3 0 "[ . 1]"
1 56 ASP 1.946 0.135 3 0 "[ . 1]"
1 57 LEU 2.516 0.166 9 0 "[ . 1]"
1 58 ALA 9.679 0.385 3 0 "[ . 1]"
1 59 SER 4.114 0.235 3 0 "[ . 1]"
1 60 THR 1.946 0.135 3 0 "[ . 1]"
1 61 PHE 2.516 0.166 9 0 "[ . 1]"
1 62 LEU 8.894 0.385 3 0 "[ . 1]"
1 66 ASN 13.439 0.426 2 0 "[ . 1]"
1 68 ILE 5.539 0.196 1 0 "[ . 1]"
1 70 ALA 6.856 0.224 10 0 "[ . 1]"
1 72 VAL 9.737 0.263 5 0 "[ . 1]"
1 83 CYS 29.034 0.794 1 5 "[+ ** -*]"
1 84 PHE 9.737 0.263 5 0 "[ . 1]"
1 85 GLY 7.576 0.259 8 0 "[ . 1]"
1 86 PHE 6.856 0.224 10 0 "[ . 1]"
1 87 VAL 5.197 0.220 5 0 "[ . 1]"
1 88 SER 5.539 0.196 1 0 "[ . 1]"
1 89 PHE 15.861 0.441 5 0 "[ . 1]"
1 90 ASP 13.439 0.426 2 0 "[ . 1]"
1 94 SER 3.098 0.154 6 0 "[ . 1]"
1 95 ALA 1.977 0.149 6 0 "[ . 1]"
1 96 GLN 0.768 0.064 7 0 "[ . 1]"
1 97 VAL 3.321 0.163 3 0 "[ . 1]"
1 98 ALA 3.098 0.154 6 0 "[ . 1]"
1 99 ILE 1.977 0.149 6 0 "[ . 1]"
1 100 LYS 0.768 0.064 7 0 "[ . 1]"
1 101 ALA 3.321 0.163 3 0 "[ . 1]"
1 107 VAL 12.864 0.535 8 10 [-******+**]
1 110 LYS 12.864 0.535 8 10 [-******+**]
1 113 LYS 24.961 0.925 1 10 [+*-*******]
1 115 GLN 4.968 0.155 4 0 "[ . 1]"
1 117 LYS 11.769 0.335 10 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 42 ASN O 1 117 LYS H 2.150 2.150 2.150 2.227 2.176 2.302 0.152 3 0 "[ . 1]" 2
2 1 42 ASN C 1 117 LYS N 4.350 4.350 4.350 4.171 4.142 4.222 0.208 6 0 "[ . 1]" 2
3 1 42 ASN O 1 117 LYS N 3.140 3.140 3.140 3.001 2.964 3.042 0.176 10 0 "[ . 1]" 2
4 1 42 ASN C 1 117 LYS H 3.380 3.380 3.380 3.362 3.320 3.426 0.060 3 0 "[ . 1]" 2
5 1 42 ASN H 1 117 LYS O 2.150 2.150 2.150 2.435 2.388 2.467 0.317 10 0 "[ . 1]" 2
6 1 42 ASN N 1 117 LYS C 4.350 4.350 4.350 4.232 4.185 4.277 0.165 4 0 "[ . 1]" 2
7 1 42 ASN N 1 117 LYS O 3.140 3.140 3.140 3.066 3.034 3.104 0.106 2 0 "[ . 1]" 2
8 1 42 ASN H 1 117 LYS C 3.380 3.380 3.380 3.653 3.592 3.715 0.335 10 0 "[ . 1]" 2
9 1 44 PHE O 1 115 GLN H 2.150 2.150 2.150 2.259 2.210 2.304 0.154 6 0 "[ . 1]" 2
10 1 44 PHE C 1 115 GLN N 4.350 4.350 4.350 4.226 4.195 4.266 0.155 4 0 "[ . 1]" 2
11 1 44 PHE O 1 115 GLN N 3.140 3.140 3.140 3.139 3.120 3.168 0.028 6 0 "[ . 1]" 2
12 1 44 PHE C 1 115 GLN H 3.380 3.380 3.380 3.301 3.279 3.337 0.101 1 0 "[ . 1]" 2
13 1 44 PHE H 1 115 GLN O 2.150 2.150 2.150 2.171 2.145 2.208 0.058 4 0 "[ . 1]" 2
14 1 44 PHE N 1 115 GLN C 4.350 4.350 4.350 4.281 4.256 4.335 0.094 10 0 "[ . 1]" 2
15 1 44 PHE N 1 115 GLN O 3.140 3.140 3.140 3.140 3.117 3.175 0.035 8 0 "[ . 1]" 2
16 1 44 PHE H 1 115 GLN C 3.380 3.380 3.380 3.315 3.279 3.379 0.101 10 0 "[ . 1]" 2
17 1 46 TYR O 1 113 LYS H 2.150 2.150 2.150 2.968 2.808 3.075 0.925 1 10 [+*-*******] 2
18 1 46 TYR C 1 113 LYS N 4.350 4.350 4.350 4.145 4.127 4.177 0.223 6 0 "[ . 1]" 2
19 1 46 TYR O 1 113 LYS N 3.140 3.140 3.140 3.953 3.807 4.035 0.895 8 10 [**-****+**] 2
20 1 46 TYR C 1 113 LYS H 3.380 3.380 3.380 3.191 3.170 3.229 0.210 6 0 "[ . 1]" 2
21 1 46 TYR H 1 113 LYS O 2.150 2.150 2.150 2.297 2.263 2.317 0.167 8 0 "[ . 1]" 2
22 1 46 TYR N 1 113 LYS C 4.350 4.350 4.350 4.179 4.163 4.203 0.187 5 0 "[ . 1]" 2
23 1 46 TYR N 1 113 LYS O 3.140 3.140 3.140 3.167 3.159 3.177 0.037 8 0 "[ . 1]" 2
24 1 46 TYR H 1 113 LYS C 3.380 3.380 3.380 3.253 3.231 3.296 0.149 10 0 "[ . 1]" 2
25 1 41 CYS O 1 89 PHE H 2.150 2.150 2.150 2.450 2.369 2.533 0.383 1 0 "[ . 1]" 2
26 1 41 CYS C 1 89 PHE N 4.350 4.350 4.350 3.951 3.909 4.039 0.441 5 0 "[ . 1]" 2
27 1 41 CYS O 1 89 PHE N 3.140 3.140 3.140 3.183 3.152 3.243 0.103 3 0 "[ . 1]" 2
28 1 41 CYS C 1 89 PHE H 3.380 3.380 3.380 3.165 3.143 3.196 0.237 5 0 "[ . 1]" 2
29 1 41 CYS H 1 89 PHE O 2.150 2.150 2.150 2.432 2.400 2.482 0.332 4 0 "[ . 1]" 2
30 1 41 CYS N 1 89 PHE C 4.350 4.350 4.350 4.320 4.291 4.368 0.059 9 0 "[ . 1]" 2
31 1 41 CYS N 1 89 PHE O 3.140 3.140 3.140 3.132 3.089 3.162 0.051 9 0 "[ . 1]" 2
32 1 41 CYS H 1 89 PHE C 3.380 3.380 3.380 3.673 3.627 3.735 0.355 4 0 "[ . 1]" 2
33 1 43 LEU O 1 87 VAL H 2.150 2.150 2.150 2.202 2.175 2.221 0.071 6 0 "[ . 1]" 2
34 1 43 LEU C 1 87 VAL N 4.350 4.350 4.350 4.326 4.282 4.364 0.068 3 0 "[ . 1]" 2
35 1 43 LEU O 1 87 VAL N 3.140 3.140 3.140 3.145 3.075 3.176 0.065 1 0 "[ . 1]" 2
36 1 43 LEU C 1 87 VAL H 3.380 3.380 3.380 3.397 3.371 3.435 0.055 1 0 "[ . 1]" 2
37 1 43 LEU H 1 87 VAL O 2.150 2.150 2.150 2.156 2.080 2.267 0.117 1 0 "[ . 1]" 2
38 1 43 LEU N 1 87 VAL C 4.350 4.350 4.350 4.204 4.130 4.241 0.220 5 0 "[ . 1]" 2
39 1 43 LEU N 1 87 VAL O 3.140 3.140 3.140 3.071 3.013 3.189 0.127 7 0 "[ . 1]" 2
40 1 43 LEU H 1 87 VAL C 3.380 3.380 3.380 3.264 3.179 3.317 0.201 5 0 "[ . 1]" 2
41 1 45 ILE O 1 85 GLY H 2.150 2.150 2.150 2.188 2.165 2.216 0.066 6 0 "[ . 1]" 2
42 1 45 ILE C 1 85 GLY N 4.350 4.350 4.350 4.128 4.091 4.195 0.259 8 0 "[ . 1]" 2
43 1 45 ILE O 1 85 GLY N 3.140 3.140 3.140 3.011 2.983 3.025 0.157 10 0 "[ . 1]" 2
44 1 45 ILE C 1 85 GLY H 3.380 3.380 3.380 3.221 3.179 3.286 0.201 8 0 "[ . 1]" 2
45 1 45 ILE H 1 85 GLY O 2.150 2.150 2.150 2.223 2.210 2.249 0.099 5 0 "[ . 1]" 2
46 1 45 ILE N 1 85 GLY C 4.350 4.350 4.350 4.393 4.373 4.410 0.060 7 0 "[ . 1]" 2
47 1 45 ILE N 1 85 GLY O 3.140 3.140 3.140 3.171 3.155 3.187 0.047 3 0 "[ . 1]" 2
48 1 45 ILE H 1 85 GLY C 3.380 3.380 3.380 3.444 3.430 3.454 0.074 2 0 "[ . 1]" 2
49 1 47 HIS O 1 83 CYS H 2.150 2.150 2.150 2.705 2.626 2.943 0.793 1 4 "[+ -* *]" 2
50 1 47 HIS C 1 83 CYS N 4.350 4.350 4.350 4.006 3.970 4.092 0.380 5 0 "[ . 1]" 2
51 1 47 HIS O 1 83 CYS N 3.140 3.140 3.140 3.678 3.590 3.934 0.794 1 4 "[+ * -*]" 2
52 1 47 HIS C 1 83 CYS H 3.380 3.380 3.380 3.102 3.066 3.160 0.314 6 0 "[ . 1]" 2
53 1 47 HIS H 1 83 CYS O 2.150 2.150 2.150 2.571 2.514 2.610 0.460 6 0 "[ . 1]" 2
54 1 47 HIS N 1 83 CYS C 4.350 4.350 4.350 4.093 4.039 4.123 0.311 2 0 "[ . 1]" 2
55 1 47 HIS N 1 83 CYS O 3.140 3.140 3.140 2.917 2.863 2.951 0.277 2 0 "[ . 1]" 2
56 1 47 HIS H 1 83 CYS C 3.380 3.380 3.380 3.668 3.620 3.715 0.335 6 0 "[ . 1]" 2
57 1 66 ASN H 1 90 ASP O 2.150 2.150 2.150 2.490 2.344 2.576 0.426 2 0 "[ . 1]" 2
58 1 66 ASN N 1 90 ASP C 4.350 4.350 4.350 4.074 4.013 4.197 0.337 2 0 "[ . 1]" 2
59 1 66 ASN N 1 90 ASP O 3.140 3.140 3.140 3.137 2.957 3.329 0.189 8 0 "[ . 1]" 2
60 1 66 ASN H 1 90 ASP C 3.380 3.380 3.380 3.499 3.144 3.729 0.349 6 0 "[ . 1]" 2
61 1 66 ASN O 1 90 ASP H 2.150 2.150 2.150 2.232 2.164 2.340 0.190 8 0 "[ . 1]" 2
62 1 66 ASN C 1 90 ASP N 4.350 4.350 4.350 4.314 4.218 4.473 0.132 1 0 "[ . 1]" 2
63 1 66 ASN O 1 90 ASP N 3.140 3.140 3.140 3.175 3.087 3.289 0.149 4 0 "[ . 1]" 2
64 1 66 ASN C 1 90 ASP H 3.380 3.380 3.380 3.382 3.312 3.505 0.125 7 0 "[ . 1]" 2
65 1 68 ILE O 1 88 SER H 2.150 2.150 2.150 2.221 2.155 2.310 0.160 8 0 "[ . 1]" 2
66 1 68 ILE C 1 88 SER N 4.350 4.350 4.350 4.175 4.154 4.208 0.196 1 0 "[ . 1]" 2
67 1 68 ILE O 1 88 SER N 3.140 3.140 3.140 3.062 2.971 3.189 0.169 1 0 "[ . 1]" 2
68 1 68 ILE C 1 88 SER H 3.380 3.380 3.380 3.312 3.290 3.344 0.090 8 0 "[ . 1]" 2
69 1 68 ILE H 1 88 SER O 2.150 2.150 2.150 2.187 2.133 2.230 0.080 2 0 "[ . 1]" 2
70 1 68 ILE N 1 88 SER C 4.350 4.350 4.350 4.305 4.276 4.369 0.074 4 0 "[ . 1]" 2
71 1 68 ILE N 1 88 SER O 3.140 3.140 3.140 3.114 3.081 3.156 0.059 4 0 "[ . 1]" 2
72 1 68 ILE H 1 88 SER C 3.380 3.380 3.380 3.383 3.325 3.448 0.068 2 0 "[ . 1]" 2
73 1 70 ALA O 1 86 PHE H 2.150 2.150 2.150 2.278 2.180 2.315 0.165 10 0 "[ . 1]" 2
74 1 70 ALA C 1 86 PHE N 4.350 4.350 4.350 4.148 4.126 4.232 0.224 10 0 "[ . 1]" 2
75 1 70 ALA O 1 86 PHE N 3.140 3.140 3.140 3.149 3.062 3.191 0.078 8 0 "[ . 1]" 2
76 1 70 ALA C 1 86 PHE H 3.380 3.380 3.380 3.255 3.226 3.331 0.154 3 0 "[ . 1]" 2
77 1 70 ALA H 1 86 PHE O 2.150 2.150 2.150 2.200 2.161 2.288 0.138 3 0 "[ . 1]" 2
78 1 70 ALA N 1 86 PHE C 4.350 4.350 4.350 4.259 4.200 4.294 0.150 3 0 "[ . 1]" 2
79 1 70 ALA N 1 86 PHE O 3.140 3.140 3.140 3.119 3.068 3.155 0.072 8 0 "[ . 1]" 2
80 1 70 ALA H 1 86 PHE C 3.380 3.380 3.380 3.348 3.282 3.389 0.098 3 0 "[ . 1]" 2
81 1 72 VAL O 1 84 PHE H 2.150 2.150 2.150 2.358 2.323 2.408 0.258 8 0 "[ . 1]" 2
82 1 72 VAL C 1 84 PHE N 4.350 4.350 4.350 4.387 4.353 4.405 0.055 7 0 "[ . 1]" 2
83 1 72 VAL O 1 84 PHE N 3.140 3.140 3.140 3.175 3.146 3.207 0.067 8 0 "[ . 1]" 2
84 1 72 VAL C 1 84 PHE H 3.380 3.380 3.380 3.550 3.499 3.577 0.197 2 0 "[ . 1]" 2
85 1 72 VAL H 1 84 PHE O 2.150 2.150 2.150 2.324 2.294 2.367 0.217 6 0 "[ . 1]" 2
86 1 72 VAL N 1 84 PHE C 4.350 4.350 4.350 4.143 4.087 4.195 0.263 5 0 "[ . 1]" 2
87 1 72 VAL N 1 84 PHE O 3.140 3.140 3.140 3.030 2.988 3.067 0.152 5 0 "[ . 1]" 2
88 1 72 VAL H 1 84 PHE C 3.380 3.380 3.380 3.348 3.327 3.367 0.053 8 0 "[ . 1]" 2
89 1 107 VAL O 1 110 LYS H 2.150 2.150 2.150 2.475 2.443 2.484 0.334 3 0 "[ . 1]" 2
90 1 107 VAL C 1 110 LYS N 4.350 4.350 4.350 3.829 3.815 3.845 0.535 8 10 [-******+**] 2
91 1 107 VAL O 1 110 LYS N 3.140 3.140 3.140 3.153 3.109 3.176 0.036 8 0 "[ . 1]" 2
92 1 107 VAL C 1 110 LYS H 3.380 3.380 3.380 3.386 3.360 3.407 0.027 1 0 "[ . 1]" 2
93 1 107 VAL H 1 110 LYS O 2.150 2.150 2.150 2.307 2.252 2.339 0.189 8 0 "[ . 1]" 2
94 1 107 VAL N 1 110 LYS C 4.350 4.350 4.350 4.182 4.118 4.199 0.232 1 0 "[ . 1]" 2
95 1 107 VAL N 1 110 LYS O 3.140 3.140 3.140 3.166 3.151 3.205 0.065 1 0 "[ . 1]" 2
96 1 107 VAL H 1 110 LYS C 3.380 3.380 3.380 3.322 3.215 3.353 0.165 1 0 "[ . 1]" 2
97 1 54 ASP O 1 58 ALA H 2.150 2.150 2.150 2.178 2.154 2.199 0.049 6 0 "[ . 1]" 2
98 1 54 ASP C 1 58 ALA N 4.350 4.350 4.350 4.356 4.325 4.384 0.034 6 0 "[ . 1]" 2
99 1 54 ASP O 1 58 ALA N 3.140 3.140 3.140 3.155 3.133 3.180 0.040 6 0 "[ . 1]" 2
100 1 54 ASP C 1 58 ALA H 3.380 3.380 3.380 3.378 3.349 3.402 0.031 1 0 "[ . 1]" 2
101 1 55 THR O 1 59 SER H 2.150 2.150 2.150 2.190 2.161 2.243 0.093 3 0 "[ . 1]" 2
102 1 55 THR C 1 59 SER N 4.350 4.350 4.350 4.175 4.115 4.209 0.235 3 0 "[ . 1]" 2
103 1 55 THR O 1 59 SER N 3.140 3.140 3.140 3.094 3.063 3.123 0.077 4 0 "[ . 1]" 2
104 1 55 THR C 1 59 SER H 3.380 3.380 3.380 3.229 3.209 3.243 0.171 3 0 "[ . 1]" 2
105 1 56 ASP O 1 60 THR H 2.150 2.150 2.150 2.239 2.195 2.285 0.135 3 0 "[ . 1]" 2
106 1 56 ASP C 1 60 THR N 4.350 4.350 4.350 4.323 4.292 4.366 0.058 8 0 "[ . 1]" 2
107 1 56 ASP O 1 60 THR N 3.140 3.140 3.140 3.183 3.151 3.217 0.077 4 0 "[ . 1]" 2
108 1 56 ASP C 1 60 THR H 3.380 3.380 3.380 3.352 3.334 3.376 0.046 3 0 "[ . 1]" 2
109 1 57 LEU O 1 61 PHE H 2.150 2.150 2.150 2.214 2.182 2.252 0.102 9 0 "[ . 1]" 2
110 1 57 LEU C 1 61 PHE N 4.350 4.350 4.350 4.338 4.184 4.430 0.166 9 0 "[ . 1]" 2
111 1 57 LEU O 1 61 PHE N 3.140 3.140 3.140 3.148 3.074 3.206 0.066 6 0 "[ . 1]" 2
112 1 57 LEU C 1 61 PHE H 3.380 3.380 3.380 3.386 3.276 3.470 0.104 9 0 "[ . 1]" 2
113 1 58 ALA O 1 62 LEU H 2.150 2.150 2.150 2.430 2.349 2.487 0.337 3 0 "[ . 1]" 2
114 1 58 ALA C 1 62 LEU N 4.350 4.350 4.350 4.028 3.965 4.067 0.385 3 0 "[ . 1]" 2
115 1 58 ALA O 1 62 LEU N 3.140 3.140 3.140 2.922 2.871 2.991 0.269 9 0 "[ . 1]" 2
116 1 58 ALA C 1 62 LEU H 3.380 3.380 3.380 3.389 3.288 3.496 0.116 9 0 "[ . 1]" 2
117 1 94 SER O 1 98 ALA H 2.150 2.150 2.150 2.258 2.199 2.304 0.154 6 0 "[ . 1]" 2
118 1 94 SER C 1 98 ALA N 4.350 4.350 4.350 4.242 4.210 4.292 0.140 10 0 "[ . 1]" 2
119 1 94 SER O 1 98 ALA N 3.140 3.140 3.140 3.130 3.089 3.172 0.051 1 0 "[ . 1]" 2
120 1 94 SER C 1 98 ALA H 3.380 3.380 3.380 3.308 3.286 3.330 0.094 10 0 "[ . 1]" 2
121 1 95 ALA O 1 99 ILE H 2.150 2.150 2.150 2.228 2.099 2.299 0.149 6 0 "[ . 1]" 2
122 1 95 ALA C 1 99 ILE N 4.350 4.350 4.350 4.294 4.247 4.322 0.103 7 0 "[ . 1]" 2
123 1 95 ALA O 1 99 ILE N 3.140 3.140 3.140 3.112 3.041 3.140 0.099 7 0 "[ . 1]" 2
124 1 95 ALA C 1 99 ILE H 3.380 3.380 3.380 3.366 3.295 3.397 0.085 7 0 "[ . 1]" 2
125 1 96 GLN O 1 100 LYS H 2.150 2.150 2.150 2.184 2.144 2.214 0.064 7 0 "[ . 1]" 2
126 1 96 GLN C 1 100 LYS N 4.350 4.350 4.350 4.348 4.325 4.363 0.025 3 0 "[ . 1]" 2
127 1 96 GLN O 1 100 LYS N 3.140 3.140 3.140 3.143 3.112 3.191 0.051 7 0 "[ . 1]" 2
128 1 96 GLN C 1 100 LYS H 3.380 3.380 3.380 3.388 3.362 3.407 0.027 10 0 "[ . 1]" 2
129 1 97 VAL O 1 101 ALA H 2.150 2.150 2.150 2.219 2.201 2.236 0.086 3 0 "[ . 1]" 2
130 1 97 VAL C 1 101 ALA N 4.350 4.350 4.350 4.223 4.187 4.251 0.163 3 0 "[ . 1]" 2
131 1 97 VAL O 1 101 ALA N 3.140 3.140 3.140 3.103 3.083 3.123 0.057 4 0 "[ . 1]" 2
132 1 97 VAL C 1 101 ALA H 3.380 3.380 3.380 3.281 3.247 3.308 0.133 1 0 "[ . 1]" 2
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