NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564087 |
2m10   |
18834 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m10
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 908
_Distance_constraint_stats_list.Viol_count 1150
_Distance_constraint_stats_list.Viol_total 4879.993
_Distance_constraint_stats_list.Viol_max 1.665
_Distance_constraint_stats_list.Viol_rms 0.0838
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0134
_Distance_constraint_stats_list.Viol_average_violations_only 0.2122
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.033 0.033 8 0 "[ . 1 . 2]"
1 3 LYS 1.453 0.502 9 1 "[ . +1 . 2]"
1 4 PRO 1.022 0.502 9 1 "[ . +1 . 2]"
1 5 GLY 0.765 0.280 7 0 "[ . 1 . 2]"
1 6 ASP 0.099 0.066 18 0 "[ . 1 . 2]"
1 7 ILE 5.715 0.414 10 0 "[ . 1 . 2]"
1 8 PHE 0.985 0.368 7 0 "[ . 1 . 2]"
1 9 GLU 0.037 0.021 13 0 "[ . 1 . 2]"
1 10 VAL 1.517 0.333 10 0 "[ . 1 . 2]"
1 11 GLU 23.880 0.747 18 14 "[** *.*-* ****** + *]"
1 12 LEU 14.758 0.687 16 11 "[ *.****1* *-*+ * 2]"
1 13 ALA 3.619 0.254 2 0 "[ . 1 . 2]"
1 14 LYS 11.890 0.823 1 5 "[+ * . *1 . *-]"
1 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.587 0.157 3 0 "[ . 1 . 2]"
1 19 LEU 11.259 0.823 1 5 "[+ * . *1 . *-]"
1 20 GLY 0.900 0.137 9 0 "[ . 1 . 2]"
1 21 ILE 6.937 0.658 9 6 "[ * -* +* . *2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 THR 6.369 0.460 14 0 "[ . 1 . 2]"
1 25 GLY 0.465 0.401 15 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.124 0.071 20 0 "[ . 1 . 2]"
1 28 ASN 0.804 0.172 17 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 1.116 0.401 15 0 "[ . 1 . 2]"
1 32 ARG 0.995 0.171 2 0 "[ . 1 . 2]"
1 34 GLY 1.088 0.225 7 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 6.344 0.594 1 1 "[+ . 1 . 2]"
1 37 TYR 2.334 0.594 1 1 "[+ . 1 . 2]"
1 38 VAL 3.601 0.321 13 0 "[ . 1 . 2]"
1 39 LYS 6.309 0.460 14 0 "[ . 1 . 2]"
1 40 ALA 0.084 0.042 13 0 "[ . 1 . 2]"
1 41 VAL 0.093 0.042 19 0 "[ . 1 . 2]"
1 42 ILE 0.089 0.038 12 0 "[ . 1 . 2]"
1 43 PRO 0.002 0.002 19 0 "[ . 1 . 2]"
1 44 GLN 1.033 0.132 9 0 "[ . 1 . 2]"
1 45 GLY 0.850 0.132 9 0 "[ . 1 . 2]"
1 46 ALA 1.996 0.687 16 1 "[ . 1 .+ 2]"
1 47 ALA 6.968 0.658 9 6 "[ * -* +* . *2]"
1 48 GLU 0.567 0.116 9 0 "[ . 1 . 2]"
1 49 SER 0.682 0.068 18 0 "[ . 1 . 2]"
1 50 ASP 8.587 0.836 17 5 "[* . 1 * . +*-2]"
1 51 GLY 16.276 1.282 17 13 "[** * ** -* **.*+**2]"
1 52 ARG 5.703 0.359 17 0 "[ . 1 . 2]"
1 53 ILE 33.869 1.282 17 13 "[** * ** ** **.*+*-2]"
1 54 HIS 0.578 0.149 16 0 "[ . 1 . 2]"
1 55 LYS 3.788 0.321 13 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 5.284 0.819 7 1 "[ . + 1 . 2]"
1 58 ARG 13.544 1.517 4 9 "[ +** -** **. *2]"
1 59 VAL 29.954 1.530 13 18 "[** ******* *+**-****]"
1 60 LEU 14.603 1.517 4 9 "[ +** -** **. *2]"
1 61 ALA 0.688 0.149 5 0 "[ . 1 . 2]"
1 62 VAL 10.338 0.687 20 5 "[ ** . *-1 . +]"
1 63 ASN 3.248 0.465 10 0 "[ . 1 . 2]"
1 64 GLY 0.383 0.104 9 0 "[ . 1 . 2]"
1 65 VAL 8.154 0.730 14 7 "[ * *- * 1 *+* 2]"
1 66 SER 3.496 0.561 8 1 "[ . + 1 . 2]"
1 67 LEU 21.432 0.730 14 7 "[ * *- * 1 *+* 2]"
1 68 GLU 2.426 0.134 16 0 "[ . 1 . 2]"
1 69 GLY 0.004 0.004 14 0 "[ . 1 . 2]"
1 70 ALA 7.903 0.338 14 0 "[ . 1 . 2]"
1 71 THR 0.051 0.020 14 0 "[ . 1 . 2]"
1 72 HIS 10.648 1.665 14 5 "[ -* . 1 +.** 2]"
1 73 LYS 0.883 0.155 7 0 "[ . 1 . 2]"
1 74 GLN 0.634 0.121 17 0 "[ . 1 . 2]"
1 75 ALA 0.579 0.091 17 0 "[ . 1 . 2]"
1 76 VAL 2.306 0.236 7 0 "[ . 1 . 2]"
1 78 THR 6.713 0.961 10 2 "[ - + . 2]"
1 79 LEU 7.467 0.961 10 2 "[ - + . 2]"
1 81 ASN 0.672 0.170 3 0 "[ . 1 . 2]"
1 82 THR 0.672 0.170 3 0 "[ . 1 . 2]"
1 83 GLY 0.177 0.147 2 0 "[ . 1 . 2]"
1 84 GLN 3.217 0.179 20 0 "[ . 1 . 2]"
1 85 VAL 13.995 0.747 18 14 "[** *.*-* ****** + *]"
1 86 VAL 15.764 1.172 15 14 "[*- *** **1** *+*** 2]"
1 87 HIS 4.422 0.303 14 0 "[ . 1 . 2]"
1 88 LEU 22.954 1.172 15 16 "[****** *-1** *+*** *]"
1 89 LEU 2.651 0.143 16 0 "[ . 1 . 2]"
1 90 LEU 27.254 1.530 13 18 "[** ******* *+**-****]"
1 91 GLU 6.637 1.060 18 2 "[ - 1 . + 2]"
1 92 LYS 5.525 1.060 18 3 "[ * - 1 . + 2]"
1 93 GLY 1.049 0.334 7 0 "[ . 1 . 2]"
1 94 GLN 0.699 0.113 15 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PRO 3.685 0.561 16 1 "[ . 1 .+ 2]"
1 97 THR 3.948 0.561 16 1 "[ . 1 .+ 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 PRO HD2 . . 3.130 2.164 2.045 2.284 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 PRO QD . . 2.620 2.017 1.977 2.055 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 2 PRO HD3 . . 3.130 2.435 2.196 2.633 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 2 PRO QG . . 4.250 3.698 3.604 3.804 . 0 0 "[ . 1 . 2]" 1
5 1 2 PRO HA 1 3 LYS H . . 2.790 2.338 2.152 2.596 . 0 0 "[ . 1 . 2]" 1
6 1 2 PRO HA 1 3 LYS QB . . 4.670 4.426 4.291 4.496 . 0 0 "[ . 1 . 2]" 1
7 1 2 PRO HB2 1 3 LYS H . . 3.920 3.004 2.428 3.598 . 0 0 "[ . 1 . 2]" 1
8 1 2 PRO HB2 1 6 ASP H . . 5.260 4.329 3.814 5.214 . 0 0 "[ . 1 . 2]" 1
9 1 2 PRO HB2 1 6 ASP HB2 . . 4.530 3.673 2.351 4.563 0.033 8 0 "[ . 1 . 2]" 1
10 1 2 PRO HB2 1 6 ASP QB . . 3.740 2.478 2.061 3.435 . 0 0 "[ . 1 . 2]" 1
11 1 2 PRO HB2 1 6 ASP HB3 . . 4.530 2.573 2.083 3.553 . 0 0 "[ . 1 . 2]" 1
12 1 2 PRO HB3 1 6 ASP QB . . 4.880 3.399 2.679 4.053 . 0 0 "[ . 1 . 2]" 1
13 1 3 LYS H 1 3 LYS QB . . 3.090 2.547 2.295 3.053 . 0 0 "[ . 1 . 2]" 1
14 1 3 LYS H 1 3 LYS QG . . 3.480 2.487 1.891 3.753 0.273 9 0 "[ . 1 . 2]" 1
15 1 3 LYS H 1 6 ASP H . . 5.290 4.094 3.488 4.442 . 0 0 "[ . 1 . 2]" 1
16 1 3 LYS H 1 6 ASP HB2 . . 4.370 2.445 2.088 3.204 . 0 0 "[ . 1 . 2]" 1
17 1 3 LYS H 1 6 ASP QB . . 3.570 2.316 1.925 3.073 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS H 1 6 ASP HB3 . . 4.370 2.968 2.218 3.952 . 0 0 "[ . 1 . 2]" 1
19 1 3 LYS HA 1 3 LYS QD . . 4.360 4.055 2.898 4.421 0.061 17 0 "[ . 1 . 2]" 1
20 1 3 LYS HA 1 3 LYS QG . . 3.580 2.742 2.407 3.409 . 0 0 "[ . 1 . 2]" 1
21 1 3 LYS HA 1 4 PRO HD2 . . 3.480 3.141 3.098 3.185 . 0 0 "[ . 1 . 2]" 1
22 1 3 LYS HA 1 4 PRO HD3 . . 3.130 1.992 1.922 2.101 . 0 0 "[ . 1 . 2]" 1
23 1 3 LYS QB 1 3 LYS QE . . 4.560 3.145 2.010 3.777 . 0 0 "[ . 1 . 2]" 1
24 1 3 LYS QB 1 4 PRO HD2 . . 3.380 2.063 1.974 2.193 . 0 0 "[ . 1 . 2]" 1
25 1 3 LYS QB 1 4 PRO HD3 . . 4.100 2.599 2.474 2.689 . 0 0 "[ . 1 . 2]" 1
26 1 3 LYS HB2 1 4 PRO HD2 . . 3.880 3.170 2.032 3.682 . 0 0 "[ . 1 . 2]" 1
27 1 3 LYS HB2 1 4 PRO HD3 . . 4.890 3.624 2.562 3.997 . 0 0 "[ . 1 . 2]" 1
28 1 3 LYS HB3 1 4 PRO HD2 . . 3.880 2.486 1.984 3.842 . 0 0 "[ . 1 . 2]" 1
29 1 3 LYS HB3 1 4 PRO HD3 . . 4.890 2.878 2.502 3.653 . 0 0 "[ . 1 . 2]" 1
30 1 3 LYS QD 1 3 LYS QG . . 2.400 2.087 1.982 2.146 . 0 0 "[ . 1 . 2]" 1
31 1 3 LYS QD 1 4 PRO HD2 . . 4.600 4.149 3.545 5.102 0.502 9 1 "[ . +1 . 2]" 1
32 1 4 PRO HA 1 5 GLY H . . 2.900 2.309 2.258 2.410 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO HA 1 6 ASP H . . 4.070 3.411 3.276 3.590 . 0 0 "[ . 1 . 2]" 1
34 1 4 PRO HA 1 92 LYS QB . . 4.010 2.355 1.883 3.674 . 0 0 "[ . 1 . 2]" 1
35 1 4 PRO HA 1 92 LYS HG2 . . 4.730 4.185 1.968 4.740 0.010 20 0 "[ . 1 . 2]" 1
36 1 4 PRO HA 1 92 LYS QG . . 4.090 3.305 1.961 3.729 . 0 0 "[ . 1 . 2]" 1
37 1 4 PRO HA 1 92 LYS HG3 . . 4.730 3.612 2.045 3.937 . 0 0 "[ . 1 . 2]" 1
38 1 4 PRO QB 1 5 GLY H . . 3.980 3.541 3.214 3.817 . 0 0 "[ . 1 . 2]" 1
39 1 4 PRO QB 1 6 ASP H . . 5.180 4.746 4.629 4.909 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLY H 1 6 ASP H . . 3.450 2.427 2.231 2.584 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLY H 1 92 LYS H . . 4.520 3.372 3.048 4.800 0.280 7 0 "[ . 1 . 2]" 1
42 1 5 GLY H 1 92 LYS QB . . 3.730 2.140 1.661 3.562 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLY H 1 92 LYS QG . . 3.730 3.526 1.810 3.838 0.108 10 0 "[ . 1 . 2]" 1
44 1 5 GLY QA 1 92 LYS QG . . 5.180 4.706 3.076 4.913 . 0 0 "[ . 1 . 2]" 1
45 1 6 ASP H 1 6 ASP HB2 . . 3.540 2.635 2.394 2.962 . 0 0 "[ . 1 . 2]" 1
46 1 6 ASP H 1 6 ASP QB . . 2.930 2.374 2.297 2.612 . 0 0 "[ . 1 . 2]" 1
47 1 6 ASP H 1 6 ASP HB3 . . 3.540 2.732 2.550 3.606 0.066 18 0 "[ . 1 . 2]" 1
48 1 6 ASP H 1 92 LYS H . . 4.690 3.401 3.098 4.278 . 0 0 "[ . 1 . 2]" 1
49 1 6 ASP H 1 92 LYS QB . . 3.910 2.620 2.109 3.681 . 0 0 "[ . 1 . 2]" 1
50 1 6 ASP H 1 92 LYS QG . . 3.910 3.156 2.661 3.744 . 0 0 "[ . 1 . 2]" 1
51 1 6 ASP HA 1 7 ILE H . . 2.900 2.291 2.166 2.406 . 0 0 "[ . 1 . 2]" 1
52 1 6 ASP QB 1 7 ILE H . . 3.780 3.599 2.949 3.759 . 0 0 "[ . 1 . 2]" 1
53 1 6 ASP HB2 1 7 ILE H . . 4.540 4.223 3.886 4.338 . 0 0 "[ . 1 . 2]" 1
54 1 6 ASP HB3 1 7 ILE H . . 4.540 3.918 3.009 4.163 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE H 1 7 ILE HB . . 3.170 2.453 2.263 2.687 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE H 1 7 ILE MD . . 3.990 3.444 3.071 3.724 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE H 1 7 ILE HG12 . . 3.820 2.659 1.983 3.533 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE H 1 7 ILE HG13 . . 3.970 2.905 2.096 3.729 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE H 1 7 ILE MG . . 4.100 3.717 3.634 3.806 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE H 1 8 PHE H . . 4.770 4.384 4.268 4.487 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE HA 1 7 ILE MD . . 3.520 2.930 2.110 3.628 0.108 14 0 "[ . 1 . 2]" 1
62 1 7 ILE HA 1 7 ILE HG12 . . 4.040 2.881 2.142 3.427 . 0 0 "[ . 1 . 2]" 1
63 1 7 ILE HA 1 7 ILE HG13 . . 3.830 3.593 2.866 3.984 0.154 5 0 "[ . 1 . 2]" 1
64 1 7 ILE HA 1 7 ILE MG . . 3.200 2.281 2.200 2.384 . 0 0 "[ . 1 . 2]" 1
65 1 7 ILE HA 1 8 PHE H . . 3.210 2.196 2.106 2.256 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE HA 1 8 PHE QD . . 4.520 3.228 2.946 3.557 . 0 0 "[ . 1 . 2]" 1
67 1 7 ILE HA 1 91 GLU HA . . 3.590 2.433 2.101 2.872 . 0 0 "[ . 1 . 2]" 1
68 1 7 ILE HB 1 7 ILE MD . . 3.280 2.818 2.386 3.138 . 0 0 "[ . 1 . 2]" 1
69 1 7 ILE HB 1 8 PHE H . . 4.210 4.088 3.913 4.255 0.045 4 0 "[ . 1 . 2]" 1
70 1 7 ILE HB 1 60 LEU QD . . 4.160 3.915 3.720 4.007 . 0 0 "[ . 1 . 2]" 1
71 1 7 ILE MD 1 60 LEU QD . . 3.080 1.842 1.708 1.994 . 0 0 "[ . 1 . 2]" 1
72 1 7 ILE MD 1 91 GLU HA . . 3.970 3.647 2.556 4.384 0.414 10 0 "[ . 1 . 2]" 1
73 1 7 ILE MD 1 91 GLU QB . . 3.730 3.117 2.308 3.841 0.111 8 0 "[ . 1 . 2]" 1
74 1 7 ILE HG12 1 7 ILE MG . . 3.380 3.016 2.577 3.355 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE HG12 1 91 GLU HA . . 5.500 4.133 2.786 5.642 0.142 7 0 "[ . 1 . 2]" 1
76 1 7 ILE HG13 1 7 ILE MG . . 3.350 2.911 2.410 3.369 0.019 9 0 "[ . 1 . 2]" 1
77 1 7 ILE HG13 1 60 LEU QD . . 3.930 3.567 3.317 4.081 0.151 13 0 "[ . 1 . 2]" 1
78 1 7 ILE MG 1 8 PHE H . . 3.260 2.595 2.398 2.810 . 0 0 "[ . 1 . 2]" 1
79 1 7 ILE MG 1 8 PHE HA . . 3.870 3.388 3.177 3.648 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE MG 1 8 PHE QD . . 4.670 4.383 4.173 4.584 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE MG 1 9 GLU H . . 5.110 4.624 4.150 5.017 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE MG 1 90 LEU H . . 4.480 3.627 3.368 3.798 . 0 0 "[ . 1 . 2]" 1
83 1 8 PHE H 1 8 PHE QD . . 3.310 2.438 2.253 3.030 . 0 0 "[ . 1 . 2]" 1
84 1 8 PHE H 1 8 PHE QE . . 4.570 4.106 3.978 4.279 . 0 0 "[ . 1 . 2]" 1
85 1 8 PHE H 1 90 LEU H . . 3.880 3.135 2.890 3.567 . 0 0 "[ . 1 . 2]" 1
86 1 8 PHE HA 1 8 PHE QD . . 4.260 3.734 3.703 3.763 . 0 0 "[ . 1 . 2]" 1
87 1 8 PHE HA 1 9 GLU H . . 2.950 2.261 2.173 2.431 . 0 0 "[ . 1 . 2]" 1
88 1 8 PHE HA 1 9 GLU QG . . 4.390 3.622 3.235 4.367 . 0 0 "[ . 1 . 2]" 1
89 1 8 PHE QB 1 9 GLU H . . 3.280 2.464 2.124 2.634 . 0 0 "[ . 1 . 2]" 1
90 1 8 PHE QD 1 9 GLU H . . 4.020 3.927 3.476 4.030 0.010 6 0 "[ . 1 . 2]" 1
91 1 8 PHE QD 1 10 VAL H . . 5.140 5.100 4.843 5.190 0.050 2 0 "[ . 1 . 2]" 1
92 1 8 PHE QD 1 10 VAL QG . . 3.780 2.080 2.025 2.177 . 0 0 "[ . 1 . 2]" 1
93 1 8 PHE QD 1 90 LEU QD . . 4.370 2.712 2.333 2.910 . 0 0 "[ . 1 . 2]" 1
94 1 8 PHE QD 1 92 LYS H . . 4.190 3.706 3.180 3.997 . 0 0 "[ . 1 . 2]" 1
95 1 8 PHE QE 1 10 VAL QG . . 3.420 2.332 2.027 2.857 . 0 0 "[ . 1 . 2]" 1
96 1 8 PHE QE 1 90 LEU QD . . 4.070 2.612 2.369 2.704 . 0 0 "[ . 1 . 2]" 1
97 1 8 PHE QE 1 92 LYS H . . 3.970 3.150 1.942 4.039 0.069 9 0 "[ . 1 . 2]" 1
98 1 8 PHE QE 1 92 LYS HA . . 3.850 3.153 2.101 3.548 . 0 0 "[ . 1 . 2]" 1
99 1 8 PHE QE 1 92 LYS QD . . 4.550 2.501 1.919 4.918 0.368 7 0 "[ . 1 . 2]" 1
100 1 8 PHE QE 1 93 GLY H . . 5.500 5.248 4.426 5.566 0.066 2 0 "[ . 1 . 2]" 1
101 1 9 GLU H 1 9 GLU QG . . 3.800 2.703 2.382 3.456 . 0 0 "[ . 1 . 2]" 1
102 1 9 GLU HA 1 9 GLU QG . . 3.640 2.663 2.539 3.392 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLU HA 1 10 VAL H . . 2.860 2.302 2.222 2.354 . 0 0 "[ . 1 . 2]" 1
104 1 9 GLU HA 1 10 VAL QG . . 4.430 3.273 3.131 3.357 . 0 0 "[ . 1 . 2]" 1
105 1 9 GLU HA 1 89 LEU HA . . 3.510 2.379 2.160 2.748 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLU HA 1 89 LEU MD1 . . 3.630 2.808 2.121 3.160 . 0 0 "[ . 1 . 2]" 1
107 1 9 GLU HA 1 90 LEU QD . . 4.770 2.949 2.657 3.453 . 0 0 "[ . 1 . 2]" 1
108 1 9 GLU QB 1 89 LEU MD1 . . 3.530 2.953 2.019 3.516 . 0 0 "[ . 1 . 2]" 1
109 1 9 GLU QG 1 10 VAL H . . 4.540 4.273 4.043 4.561 0.021 13 0 "[ . 1 . 2]" 1
110 1 9 GLU QG 1 89 LEU HA . . 5.420 3.649 3.279 4.383 . 0 0 "[ . 1 . 2]" 1
111 1 9 GLU QG 1 89 LEU MD1 . . 3.110 2.091 1.829 2.556 . 0 0 "[ . 1 . 2]" 1
112 1 9 GLU QG 1 89 LEU MD2 . . 4.280 2.988 2.077 3.712 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL H 1 10 VAL HB . . 4.000 3.900 3.815 3.980 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL H 1 10 VAL QG . . 3.520 2.225 2.093 2.333 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL H 1 11 GLU H . . 4.730 4.209 4.141 4.252 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL H 1 11 GLU HA . . 5.160 4.553 4.450 4.631 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL H 1 87 HIS HA . . 5.500 4.312 4.008 4.613 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL H 1 88 LEU H . . 3.850 3.116 2.847 3.359 . 0 0 "[ . 1 . 2]" 1
119 1 10 VAL H 1 88 LEU QB . . 5.500 5.480 5.279 5.833 0.333 10 0 "[ . 1 . 2]" 1
120 1 10 VAL H 1 89 LEU HA . . 4.220 3.607 3.199 3.898 . 0 0 "[ . 1 . 2]" 1
121 1 10 VAL H 1 90 LEU QD . . 4.320 3.024 2.848 3.578 . 0 0 "[ . 1 . 2]" 1
122 1 10 VAL HA 1 10 VAL QG . . 3.250 2.280 2.236 2.316 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL HA 1 11 GLU H . . 2.780 2.144 2.084 2.184 . 0 0 "[ . 1 . 2]" 1
124 1 10 VAL HA 1 11 GLU QB . . 4.570 4.496 4.327 4.627 0.057 6 0 "[ . 1 . 2]" 1
125 1 10 VAL HA 1 11 GLU QG . . 5.020 3.724 3.563 4.370 . 0 0 "[ . 1 . 2]" 1
126 1 10 VAL HA 1 88 LEU H . . 5.500 5.343 5.126 5.515 0.015 17 0 "[ . 1 . 2]" 1
127 1 10 VAL HB 1 11 GLU H . . 4.000 2.728 2.536 3.018 . 0 0 "[ . 1 . 2]" 1
128 1 10 VAL HB 1 52 ARG HD2 . . 3.860 2.741 2.004 3.765 . 0 0 "[ . 1 . 2]" 1
129 1 10 VAL HB 1 52 ARG QD . . 3.370 2.484 1.995 3.278 . 0 0 "[ . 1 . 2]" 1
130 1 10 VAL HB 1 52 ARG HD3 . . 3.860 3.361 2.109 3.955 0.095 17 0 "[ . 1 . 2]" 1
131 1 10 VAL HB 1 90 LEU QD . . 4.340 3.641 3.570 3.782 . 0 0 "[ . 1 . 2]" 1
132 1 10 VAL QG 1 11 GLU H . . 3.920 3.286 3.215 3.429 . 0 0 "[ . 1 . 2]" 1
133 1 10 VAL QG 1 11 GLU HA . . 5.500 3.646 3.458 3.835 . 0 0 "[ . 1 . 2]" 1
134 1 10 VAL QG 1 52 ARG QB . . 4.360 1.896 1.724 2.105 . 0 0 "[ . 1 . 2]" 1
135 1 10 VAL QG 1 52 ARG HD2 . . 4.690 2.683 1.990 3.532 . 0 0 "[ . 1 . 2]" 1
136 1 10 VAL QG 1 52 ARG HD3 . . 4.690 2.476 1.970 3.105 . 0 0 "[ . 1 . 2]" 1
137 1 10 VAL QG 1 87 HIS HA . . 5.260 4.138 3.829 4.482 . 0 0 "[ . 1 . 2]" 1
138 1 10 VAL QG 1 88 LEU H . . 4.040 3.231 3.017 3.520 . 0 0 "[ . 1 . 2]" 1
139 1 10 VAL QG 1 88 LEU HA . . 5.500 4.955 4.746 5.270 . 0 0 "[ . 1 . 2]" 1
140 1 10 VAL QG 1 89 LEU HA . . 4.810 3.822 3.351 4.178 . 0 0 "[ . 1 . 2]" 1
141 1 10 VAL QG 1 90 LEU H . . 4.150 3.844 3.634 3.941 . 0 0 "[ . 1 . 2]" 1
142 1 10 VAL QG 1 90 LEU QD . . 3.200 1.634 1.602 1.718 . 0 0 "[ . 1 . 2]" 1
143 1 11 GLU H 1 11 GLU QB . . 3.220 3.019 2.922 3.090 . 0 0 "[ . 1 . 2]" 1
144 1 11 GLU H 1 11 GLU QG . . 3.550 2.096 1.918 2.546 . 0 0 "[ . 1 . 2]" 1
145 1 11 GLU H 1 12 LEU H . . 4.650 4.374 4.257 4.488 . 0 0 "[ . 1 . 2]" 1
146 1 11 GLU HA 1 11 GLU QG . . 3.660 3.418 3.369 3.598 . 0 0 "[ . 1 . 2]" 1
147 1 11 GLU HA 1 12 LEU H . . 2.820 2.142 2.041 2.227 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLU HA 1 12 LEU QD . . 4.590 4.172 3.382 4.933 0.343 16 0 "[ . 1 . 2]" 1
149 1 11 GLU HA 1 85 VAL QG . . 5.500 2.941 2.734 3.132 . 0 0 "[ . 1 . 2]" 1
150 1 11 GLU QB 1 12 LEU H . . 4.420 3.208 2.952 3.332 . 0 0 "[ . 1 . 2]" 1
151 1 11 GLU QG 1 12 LEU H . . 3.850 4.320 4.041 4.417 0.567 13 9 "[ *.*** 1* +-* * 2]" 1
152 1 11 GLU QG 1 13 ALA H . . 5.440 5.469 5.171 5.598 0.158 20 0 "[ . 1 . 2]" 1
153 1 11 GLU QG 1 85 VAL QG . . 2.790 3.370 3.127 3.537 0.747 18 14 "[** *.*-* ****** + *]" 1
154 1 12 LEU H 1 12 LEU HB2 . . 4.150 2.797 2.582 2.957 . 0 0 "[ . 1 . 2]" 1
155 1 12 LEU H 1 85 VAL QG . . 3.700 2.464 2.247 2.661 . 0 0 "[ . 1 . 2]" 1
156 1 12 LEU HA 1 12 LEU QD . . 3.320 2.592 1.957 2.970 . 0 0 "[ . 1 . 2]" 1
157 1 12 LEU HA 1 13 ALA H . . 2.700 2.051 1.941 2.183 . 0 0 "[ . 1 . 2]" 1
158 1 12 LEU HA 1 13 ALA MB . . 4.030 4.002 3.859 4.052 0.022 13 0 "[ . 1 . 2]" 1
159 1 12 LEU HB2 1 86 VAL H . . 4.670 4.246 3.532 4.974 0.304 16 0 "[ . 1 . 2]" 1
160 1 12 LEU HB2 1 86 VAL HB . . 4.410 3.646 2.509 5.088 0.678 9 1 "[ . +1 . 2]" 1
161 1 12 LEU HB3 1 46 ALA MB . . 3.790 3.370 2.756 4.477 0.687 16 1 "[ . 1 .+ 2]" 1
162 1 12 LEU HB3 1 86 VAL HB . . 5.500 4.491 3.244 5.099 . 0 0 "[ . 1 . 2]" 1
163 1 12 LEU QD 1 13 ALA H . . 4.070 3.047 1.784 3.605 . 0 0 "[ . 1 . 2]" 1
164 1 12 LEU QD 1 46 ALA MB . . 3.470 2.613 1.860 3.095 . 0 0 "[ . 1 . 2]" 1
165 1 12 LEU QD 1 47 ALA H . . 4.170 3.464 3.035 3.803 . 0 0 "[ . 1 . 2]" 1
166 1 12 LEU QD 1 47 ALA HA . . 3.240 2.020 1.875 2.266 . 0 0 "[ . 1 . 2]" 1
167 1 12 LEU QD 1 50 ASP H . . 5.130 3.654 3.161 3.834 . 0 0 "[ . 1 . 2]" 1
168 1 12 LEU QD 1 50 ASP QB . . 3.270 1.929 1.840 2.151 . 0 0 "[ . 1 . 2]" 1
169 1 12 LEU HG 1 13 ALA H . . 5.500 3.961 3.175 4.733 . 0 0 "[ . 1 . 2]" 1
170 1 13 ALA H 1 13 ALA MB . . 2.730 2.400 2.353 2.461 . 0 0 "[ . 1 . 2]" 1
171 1 13 ALA H 1 15 ASN H . . 5.500 5.291 5.183 5.367 . 0 0 "[ . 1 . 2]" 1
172 1 13 ALA H 1 46 ALA MB . . 4.360 3.343 2.541 3.702 . 0 0 "[ . 1 . 2]" 1
173 1 13 ALA H 1 85 VAL QG . . 4.520 3.393 3.165 3.580 . 0 0 "[ . 1 . 2]" 1
174 1 13 ALA H 1 86 VAL H . . 5.500 4.756 4.506 4.987 . 0 0 "[ . 1 . 2]" 1
175 1 13 ALA HA 1 14 LYS H . . 2.850 2.236 2.147 2.338 . 0 0 "[ . 1 . 2]" 1
176 1 13 ALA HA 1 85 VAL H . . 5.100 4.764 4.580 4.859 . 0 0 "[ . 1 . 2]" 1
177 1 13 ALA HA 1 85 VAL HA . . 3.280 2.108 1.958 2.252 . 0 0 "[ . 1 . 2]" 1
178 1 13 ALA HA 1 85 VAL QG . . 3.360 2.367 2.296 2.448 . 0 0 "[ . 1 . 2]" 1
179 1 13 ALA HA 1 86 VAL H . . 3.980 3.289 2.778 3.597 . 0 0 "[ . 1 . 2]" 1
180 1 13 ALA MB 1 46 ALA MB . . 4.120 3.196 2.769 3.437 . 0 0 "[ . 1 . 2]" 1
181 1 13 ALA MB 1 85 VAL HA . . 3.530 3.583 3.234 3.784 0.254 2 0 "[ . 1 . 2]" 1
182 1 13 ALA MB 1 85 VAL QG . . 2.860 2.420 2.004 2.768 . 0 0 "[ . 1 . 2]" 1
183 1 14 LYS H 1 14 LYS QB . . 3.280 2.393 2.136 2.631 . 0 0 "[ . 1 . 2]" 1
184 1 14 LYS H 1 15 ASN H . . 4.570 2.433 2.196 2.615 . 0 0 "[ . 1 . 2]" 1
185 1 14 LYS H 1 17 ASN H . . 5.500 5.114 4.745 5.400 . 0 0 "[ . 1 . 2]" 1
186 1 14 LYS H 1 84 GLN HA . . 4.920 4.609 4.181 4.989 0.069 19 0 "[ . 1 . 2]" 1
187 1 14 LYS H 1 84 GLN QG . . 5.290 4.115 3.544 4.814 . 0 0 "[ . 1 . 2]" 1
188 1 14 LYS H 1 85 VAL HA . . 4.000 3.171 2.679 3.576 . 0 0 "[ . 1 . 2]" 1
189 1 14 LYS H 1 85 VAL QG . . 5.340 3.845 3.676 3.971 . 0 0 "[ . 1 . 2]" 1
190 1 14 LYS H 1 86 VAL H . . 5.500 4.226 3.660 4.837 . 0 0 "[ . 1 . 2]" 1
191 1 14 LYS HA 1 14 LYS QD . . 4.200 3.816 2.577 4.175 . 0 0 "[ . 1 . 2]" 1
192 1 14 LYS HA 1 14 LYS QG . . 3.680 2.400 2.240 2.622 . 0 0 "[ . 1 . 2]" 1
193 1 14 LYS HA 1 19 LEU QB . . 4.990 3.659 2.369 4.595 . 0 0 "[ . 1 . 2]" 1
194 1 14 LYS HA 1 19 LEU MD1 . . 5.080 4.771 2.030 5.552 0.472 5 0 "[ . 1 . 2]" 1
195 1 14 LYS QB 1 15 ASN H . . 4.110 2.766 2.303 3.008 . 0 0 "[ . 1 . 2]" 1
196 1 14 LYS QB 1 19 LEU QB . . 3.100 3.248 2.509 3.923 0.823 1 5 "[+ * . *1 . *-]" 1
197 1 14 LYS QG 1 19 LEU HA . . 4.340 3.817 2.623 4.337 . 0 0 "[ . 1 . 2]" 1
198 1 14 LYS QG 1 19 LEU QB . . 3.830 2.261 1.898 3.081 . 0 0 "[ . 1 . 2]" 1
199 1 14 LYS QG 1 20 GLY H . . 5.500 5.455 4.922 5.637 0.137 9 0 "[ . 1 . 2]" 1
200 1 15 ASN H 1 17 ASN H . . 4.820 3.645 3.329 4.151 . 0 0 "[ . 1 . 2]" 1
201 1 15 ASN H 1 46 ALA MB . . 4.810 4.136 4.070 4.196 . 0 0 "[ . 1 . 2]" 1
202 1 15 ASN QB 1 46 ALA H . . 4.670 3.674 2.980 4.181 . 0 0 "[ . 1 . 2]" 1
203 1 15 ASN QB 1 46 ALA HA . . 5.030 3.973 3.519 4.351 . 0 0 "[ . 1 . 2]" 1
204 1 15 ASN QB 1 46 ALA MB . . 3.420 2.331 2.000 2.707 . 0 0 "[ . 1 . 2]" 1
205 1 15 ASN HB2 1 46 ALA MB . . 4.020 2.479 2.023 2.980 . 0 0 "[ . 1 . 2]" 1
206 1 15 ASN HB3 1 46 ALA MB . . 4.020 2.965 2.615 3.620 . 0 0 "[ . 1 . 2]" 1
207 1 17 ASN H 1 18 SER H . . 3.750 3.241 3.090 3.324 . 0 0 "[ . 1 . 2]" 1
208 1 17 ASN HA 1 18 SER H . . 3.550 3.331 3.144 3.509 . 0 0 "[ . 1 . 2]" 1
209 1 17 ASN QB 1 18 SER H . . 4.210 3.631 3.425 3.962 . 0 0 "[ . 1 . 2]" 1
210 1 18 SER H 1 18 SER HB2 . . 3.640 2.615 2.448 3.141 . 0 0 "[ . 1 . 2]" 1
211 1 18 SER H 1 18 SER QB . . 3.060 2.456 2.220 2.680 . 0 0 "[ . 1 . 2]" 1
212 1 18 SER H 1 18 SER HB3 . . 3.640 3.309 2.420 3.797 0.157 3 0 "[ . 1 . 2]" 1
213 1 19 LEU HA 1 19 LEU MD1 . . 4.650 3.768 1.988 4.249 . 0 0 "[ . 1 . 2]" 1
214 1 19 LEU QB 1 19 LEU MD2 . . 3.180 2.365 2.135 2.595 . 0 0 "[ . 1 . 2]" 1
215 1 19 LEU QB 1 20 GLY H . . 3.790 2.365 1.762 3.728 . 0 0 "[ . 1 . 2]" 1
216 1 19 LEU QB 1 20 GLY QA . . 4.330 3.806 3.396 4.292 . 0 0 "[ . 1 . 2]" 1
217 1 19 LEU QB 1 21 ILE H . . 4.330 3.505 2.547 4.378 0.048 6 0 "[ . 1 . 2]" 1
218 1 19 LEU QB 1 21 ILE MD . . 5.340 3.200 1.873 4.432 . 0 0 "[ . 1 . 2]" 1
219 1 19 LEU HB2 1 19 LEU MD1 . . 3.520 2.449 2.270 3.225 . 0 0 "[ . 1 . 2]" 1
220 1 19 LEU HB2 1 20 GLY H . . 4.330 2.652 1.768 4.375 0.045 4 0 "[ . 1 . 2]" 1
221 1 19 LEU HB3 1 19 LEU MD1 . . 3.520 2.732 2.283 3.338 . 0 0 "[ . 1 . 2]" 1
222 1 19 LEU HB3 1 20 GLY H . . 4.330 3.463 1.813 4.146 . 0 0 "[ . 1 . 2]" 1
223 1 19 LEU MD1 1 21 ILE H . . 5.140 3.159 1.610 4.389 . 0 0 "[ . 1 . 2]" 1
224 1 19 LEU HG 1 20 GLY H . . 4.550 3.044 1.913 4.613 0.063 1 0 "[ . 1 . 2]" 1
225 1 20 GLY H 1 21 ILE H . . 3.540 2.313 1.624 3.502 . 0 0 "[ . 1 . 2]" 1
226 1 20 GLY QA 1 21 ILE QG . . 4.580 3.984 3.606 4.440 . 0 0 "[ . 1 . 2]" 1
227 1 21 ILE H 1 21 ILE QG . . 3.570 2.065 1.857 2.426 . 0 0 "[ . 1 . 2]" 1
228 1 21 ILE HA 1 21 ILE MG . . 3.670 2.239 2.118 2.323 . 0 0 "[ . 1 . 2]" 1
229 1 21 ILE HB 1 22 CYS H . . 4.510 2.849 1.903 3.519 . 0 0 "[ . 1 . 2]" 1
230 1 21 ILE MD 1 21 ILE MG . . 2.880 2.028 1.966 2.082 . 0 0 "[ . 1 . 2]" 1
231 1 21 ILE MD 1 42 ILE MD . . 5.110 2.543 2.053 3.497 . 0 0 "[ . 1 . 2]" 1
232 1 21 ILE MD 1 47 ALA MB . . 3.730 2.099 1.885 2.333 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE QG 1 22 CYS H . . 5.170 4.284 3.546 4.564 . 0 0 "[ . 1 . 2]" 1
234 1 21 ILE QG 1 47 ALA H . . 4.960 5.145 4.440 5.618 0.658 9 6 "[ * -* +* . *2]" 1
235 1 21 ILE MG 1 22 CYS H . . 4.630 1.773 1.562 3.112 . 0 0 "[ . 1 . 2]" 1
236 1 21 ILE MG 1 41 VAL HA . . 4.270 2.312 1.952 2.749 . 0 0 "[ . 1 . 2]" 1
237 1 21 ILE MG 1 42 ILE MD . . 4.280 3.126 1.968 3.851 . 0 0 "[ . 1 . 2]" 1
238 1 21 ILE MG 1 47 ALA H . . 5.340 5.325 4.498 5.430 0.090 18 0 "[ . 1 . 2]" 1
239 1 21 ILE MG 1 47 ALA MB . . 3.240 2.981 2.540 3.112 . 0 0 "[ . 1 . 2]" 1
240 1 22 CYS H 1 38 VAL MG1 . . 4.810 3.221 2.842 3.659 . 0 0 "[ . 1 . 2]" 1
241 1 22 CYS H 1 40 ALA H . . 4.890 3.414 2.984 3.993 . 0 0 "[ . 1 . 2]" 1
242 1 22 CYS H 1 41 VAL HA . . 5.500 3.685 3.235 4.081 . 0 0 "[ . 1 . 2]" 1
243 1 23 VAL HA 1 23 VAL MG1 . . 3.600 2.290 2.239 2.373 . 0 0 "[ . 1 . 2]" 1
244 1 23 VAL HA 1 24 THR H . . 3.160 2.440 2.366 2.503 . 0 0 "[ . 1 . 2]" 1
245 1 23 VAL HA 1 38 VAL HA . . 3.800 2.714 2.409 2.853 . 0 0 "[ . 1 . 2]" 1
246 1 23 VAL HA 1 38 VAL MG1 . . 4.750 4.069 3.745 4.266 . 0 0 "[ . 1 . 2]" 1
247 1 23 VAL HA 1 39 LYS H . . 3.610 1.911 1.677 2.336 . 0 0 "[ . 1 . 2]" 1
248 1 23 VAL HA 1 40 ALA H . . 4.930 3.982 3.738 4.182 . 0 0 "[ . 1 . 2]" 1
249 1 23 VAL HB 1 24 THR H . . 3.260 2.133 1.979 2.277 . 0 0 "[ . 1 . 2]" 1
250 1 23 VAL HB 1 24 THR HA . . 4.650 3.996 3.836 4.178 . 0 0 "[ . 1 . 2]" 1
251 1 23 VAL HB 1 37 TYR H . . 4.620 3.851 3.398 4.236 . 0 0 "[ . 1 . 2]" 1
252 1 23 VAL MG1 1 24 THR H . . 3.670 3.403 3.316 3.540 . 0 0 "[ . 1 . 2]" 1
253 1 23 VAL MG1 1 36 ILE HG13 . . 4.960 3.985 3.221 4.689 . 0 0 "[ . 1 . 2]" 1
254 1 23 VAL MG1 1 38 VAL H . . 5.340 4.532 4.407 4.593 . 0 0 "[ . 1 . 2]" 1
255 1 23 VAL MG1 1 38 VAL HA . . 3.740 2.527 2.298 2.660 . 0 0 "[ . 1 . 2]" 1
256 1 23 VAL MG1 1 39 LYS H . . 4.400 3.341 3.136 3.701 . 0 0 "[ . 1 . 2]" 1
257 1 23 VAL MG2 1 24 THR H . . 4.020 3.411 3.086 3.628 . 0 0 "[ . 1 . 2]" 1
258 1 23 VAL MG2 1 36 ILE HG13 . . 5.380 3.936 2.587 5.080 . 0 0 "[ . 1 . 2]" 1
259 1 23 VAL MG2 1 76 VAL MG1 . . 3.890 2.749 1.877 3.579 . 0 0 "[ . 1 . 2]" 1
260 1 24 THR H 1 24 THR HB . . 4.120 3.563 3.477 3.613 . 0 0 "[ . 1 . 2]" 1
261 1 24 THR H 1 24 THR MG . . 3.450 2.598 2.506 2.734 . 0 0 "[ . 1 . 2]" 1
262 1 24 THR H 1 36 ILE MG . . 4.540 2.881 2.316 3.374 . 0 0 "[ . 1 . 2]" 1
263 1 24 THR H 1 37 TYR H . . 3.650 2.597 2.473 2.769 . 0 0 "[ . 1 . 2]" 1
264 1 24 THR H 1 39 LYS H . . 4.720 3.568 3.409 3.869 . 0 0 "[ . 1 . 2]" 1
265 1 24 THR H 1 39 LYS QB . . 4.760 3.464 3.123 4.361 . 0 0 "[ . 1 . 2]" 1
266 1 24 THR HA 1 25 GLY H . . 3.370 2.510 2.434 2.578 . 0 0 "[ . 1 . 2]" 1
267 1 24 THR HB 1 39 LYS QD . . 3.680 2.574 1.974 3.794 0.114 1 0 "[ . 1 . 2]" 1
268 1 24 THR HB 1 39 LYS QG . . 4.110 2.925 1.857 3.697 . 0 0 "[ . 1 . 2]" 1
269 1 24 THR MG 1 25 GLY H . . 4.050 3.361 3.114 3.590 . 0 0 "[ . 1 . 2]" 1
270 1 24 THR MG 1 25 GLY QA . . 4.320 3.412 3.088 3.612 . 0 0 "[ . 1 . 2]" 1
271 1 24 THR MG 1 37 TYR H . . 4.030 3.048 2.759 3.272 . 0 0 "[ . 1 . 2]" 1
272 1 24 THR MG 1 37 TYR QB . . 3.450 2.291 1.980 3.556 0.106 15 0 "[ . 1 . 2]" 1
273 1 24 THR MG 1 37 TYR QD . . 4.330 3.759 2.525 4.184 . 0 0 "[ . 1 . 2]" 1
274 1 24 THR MG 1 39 LYS QB . . 3.430 2.049 1.862 2.258 . 0 0 "[ . 1 . 2]" 1
275 1 24 THR MG 1 39 LYS QD . . 3.920 3.279 1.856 3.996 0.076 1 0 "[ . 1 . 2]" 1
276 1 24 THR MG 1 39 LYS QE . . 4.520 3.725 2.768 4.469 . 0 0 "[ . 1 . 2]" 1
277 1 24 THR MG 1 39 LYS HG2 . . 3.490 3.588 2.309 3.864 0.374 4 0 "[ . 1 . 2]" 1
278 1 24 THR MG 1 39 LYS QG . . 3.040 2.390 2.194 3.064 0.024 14 0 "[ . 1 . 2]" 1
279 1 24 THR MG 1 39 LYS HG3 . . 3.490 2.523 2.284 3.950 0.460 14 0 "[ . 1 . 2]" 1
280 1 25 GLY H 1 31 VAL MG2 . . 4.590 4.115 3.704 4.991 0.401 15 0 "[ . 1 . 2]" 1
281 1 25 GLY QA 1 31 VAL MG1 . . 3.380 2.496 1.996 3.445 0.065 15 0 "[ . 1 . 2]" 1
282 1 25 GLY QA 1 31 VAL MG2 . . 3.390 1.944 1.793 2.636 . 0 0 "[ . 1 . 2]" 1
283 1 26 GLY H 1 27 VAL H . . 4.830 3.719 3.513 3.939 . 0 0 "[ . 1 . 2]" 1
284 1 26 GLY H 1 31 VAL MG2 . . 4.810 2.536 1.933 3.076 . 0 0 "[ . 1 . 2]" 1
285 1 26 GLY HA2 1 31 VAL MG2 . . 5.390 4.407 3.748 4.980 . 0 0 "[ . 1 . 2]" 1
286 1 26 GLY HA2 1 36 ILE MD . . 4.060 2.365 1.965 2.641 . 0 0 "[ . 1 . 2]" 1
287 1 26 GLY HA2 1 36 ILE HG12 . . 5.500 3.456 2.003 5.162 . 0 0 "[ . 1 . 2]" 1
288 1 26 GLY HA3 1 27 VAL H . . 3.510 2.347 2.024 2.546 . 0 0 "[ . 1 . 2]" 1
289 1 26 GLY HA3 1 27 VAL QG . . 4.480 3.162 3.065 3.278 . 0 0 "[ . 1 . 2]" 1
290 1 26 GLY HA3 1 36 ILE MD . . 4.080 2.302 2.028 2.762 . 0 0 "[ . 1 . 2]" 1
291 1 27 VAL H 1 27 VAL HB . . 3.810 3.049 2.746 3.218 . 0 0 "[ . 1 . 2]" 1
292 1 27 VAL H 1 27 VAL QG . . 2.980 1.711 1.656 1.805 . 0 0 "[ . 1 . 2]" 1
293 1 27 VAL H 1 28 ASN H . . 4.230 2.990 2.739 3.344 . 0 0 "[ . 1 . 2]" 1
294 1 27 VAL H 1 71 THR HA . . 4.070 3.101 2.978 3.200 . 0 0 "[ . 1 . 2]" 1
295 1 27 VAL H 1 72 HIS H . . 4.960 4.259 3.886 4.536 . 0 0 "[ . 1 . 2]" 1
296 1 27 VAL HA 1 27 VAL QG . . 3.160 2.049 1.982 2.120 . 0 0 "[ . 1 . 2]" 1
297 1 27 VAL HA 1 28 ASN HA . . 4.900 4.868 4.792 4.971 0.071 20 0 "[ . 1 . 2]" 1
298 1 27 VAL HB 1 28 ASN H . . 4.600 4.067 3.888 4.238 . 0 0 "[ . 1 . 2]" 1
299 1 27 VAL QG 1 28 ASN H . . 3.810 3.694 3.643 3.785 . 0 0 "[ . 1 . 2]" 1
300 1 27 VAL QG 1 28 ASN QB . . 4.720 3.981 3.757 4.225 . 0 0 "[ . 1 . 2]" 1
301 1 27 VAL QG 1 69 GLY H . . 5.200 4.975 4.443 5.197 . 0 0 "[ . 1 . 2]" 1
302 1 27 VAL QG 1 69 GLY HA2 . . 3.880 3.757 3.254 3.862 . 0 0 "[ . 1 . 2]" 1
303 1 27 VAL QG 1 70 ALA H . . 5.260 4.941 4.619 5.095 . 0 0 "[ . 1 . 2]" 1
304 1 27 VAL QG 1 71 THR H . . 5.390 3.774 3.588 3.915 . 0 0 "[ . 1 . 2]" 1
305 1 27 VAL QG 1 71 THR HA . . 3.550 1.979 1.823 2.179 . 0 0 "[ . 1 . 2]" 1
306 1 27 VAL QG 1 71 THR HB . . 4.210 2.624 2.507 2.836 . 0 0 "[ . 1 . 2]" 1
307 1 27 VAL QG 1 71 THR MG . . 3.430 1.837 1.774 1.976 . 0 0 "[ . 1 . 2]" 1
308 1 27 VAL QG 1 72 HIS H . . 4.690 3.186 2.953 3.371 . 0 0 "[ . 1 . 2]" 1
309 1 28 ASN H 1 28 ASN QB . . 3.650 3.400 3.191 3.642 . 0 0 "[ . 1 . 2]" 1
310 1 28 ASN H 1 29 THR H . . 4.050 2.494 2.344 3.247 . 0 0 "[ . 1 . 2]" 1
311 1 28 ASN H 1 29 THR HA . . 5.360 4.978 4.872 5.090 . 0 0 "[ . 1 . 2]" 1
312 1 28 ASN H 1 29 THR MG . . 5.500 3.654 2.701 4.058 . 0 0 "[ . 1 . 2]" 1
313 1 28 ASN H 1 34 GLY QA . . 5.070 3.239 2.393 3.781 . 0 0 "[ . 1 . 2]" 1
314 1 28 ASN H 1 69 GLY HA2 . . 5.450 4.269 3.457 5.436 . 0 0 "[ . 1 . 2]" 1
315 1 28 ASN HA 1 34 GLY H . . 4.360 4.119 3.227 4.532 0.172 17 0 "[ . 1 . 2]" 1
316 1 29 THR H 1 29 THR MG . . 3.830 2.152 1.891 2.773 . 0 0 "[ . 1 . 2]" 1
317 1 29 THR HA 1 29 THR MG . . 3.440 2.524 2.229 3.264 . 0 0 "[ . 1 . 2]" 1
318 1 30 SER QB 1 31 VAL MG1 . . 5.270 3.337 2.885 3.987 . 0 0 "[ . 1 . 2]" 1
319 1 31 VAL H 1 31 VAL HB . . 3.810 3.689 3.585 3.795 . 0 0 "[ . 1 . 2]" 1
320 1 31 VAL H 1 31 VAL MG1 . . 3.990 2.289 2.061 2.771 . 0 0 "[ . 1 . 2]" 1
321 1 31 VAL H 1 31 VAL MG2 . . 3.590 2.027 1.839 2.241 . 0 0 "[ . 1 . 2]" 1
322 1 31 VAL H 1 32 ARG H . . 4.760 4.584 4.307 4.827 0.067 20 0 "[ . 1 . 2]" 1
323 1 31 VAL HA 1 31 VAL MG1 . . 3.420 2.277 2.164 2.347 . 0 0 "[ . 1 . 2]" 1
324 1 31 VAL HA 1 32 ARG H . . 3.310 2.178 1.967 2.566 . 0 0 "[ . 1 . 2]" 1
325 1 31 VAL HA 1 32 ARG QB . . 4.550 4.362 3.974 4.592 0.042 3 0 "[ . 1 . 2]" 1
326 1 31 VAL HB 1 32 ARG H . . 4.270 3.051 2.788 3.506 . 0 0 "[ . 1 . 2]" 1
327 1 31 VAL HB 1 37 TYR QE . . 4.690 2.805 2.251 3.808 . 0 0 "[ . 1 . 2]" 1
328 1 31 VAL MG1 1 32 ARG H . . 4.330 3.816 3.559 4.153 . 0 0 "[ . 1 . 2]" 1
329 1 31 VAL MG1 1 34 GLY QA . . 5.290 5.017 4.745 5.515 0.225 7 0 "[ . 1 . 2]" 1
330 1 31 VAL MG1 1 37 TYR QD . . 4.000 2.975 2.445 3.414 . 0 0 "[ . 1 . 2]" 1
331 1 31 VAL MG1 1 37 TYR QE . . 4.190 3.621 2.120 4.207 0.017 1 0 "[ . 1 . 2]" 1
332 1 31 VAL MG2 1 32 ARG H . . 4.350 3.921 3.718 4.179 . 0 0 "[ . 1 . 2]" 1
333 1 31 VAL MG2 1 34 GLY QA . . 4.480 2.367 1.988 2.875 . 0 0 "[ . 1 . 2]" 1
334 1 31 VAL MG2 1 35 GLY H . . 4.170 2.652 1.875 3.623 . 0 0 "[ . 1 . 2]" 1
335 1 31 VAL MG2 1 37 TYR QD . . 3.850 2.875 2.183 3.575 . 0 0 "[ . 1 . 2]" 1
336 1 31 VAL MG2 1 37 TYR QE . . 4.010 2.866 2.013 3.576 . 0 0 "[ . 1 . 2]" 1
337 1 32 ARG H 1 32 ARG HG2 . . 4.560 3.387 1.975 4.629 0.069 10 0 "[ . 1 . 2]" 1
338 1 32 ARG H 1 32 ARG QG . . 3.860 2.829 1.818 4.031 0.171 2 0 "[ . 1 . 2]" 1
339 1 32 ARG H 1 32 ARG HG3 . . 4.560 3.456 1.826 4.631 0.071 9 0 "[ . 1 . 2]" 1
340 1 32 ARG HA 1 32 ARG QG . . 3.650 2.734 2.353 3.489 . 0 0 "[ . 1 . 2]" 1
341 1 34 GLY H 1 35 GLY H . . 3.770 2.789 2.388 3.380 . 0 0 "[ . 1 . 2]" 1
342 1 35 GLY QA 1 36 ILE H . . 3.120 2.365 2.256 2.462 . 0 0 "[ . 1 . 2]" 1
343 1 36 ILE H 1 36 ILE HB . . 3.550 2.205 2.048 2.339 . 0 0 "[ . 1 . 2]" 1
344 1 36 ILE H 1 36 ILE MD . . 4.340 3.566 2.692 4.156 . 0 0 "[ . 1 . 2]" 1
345 1 36 ILE H 1 36 ILE HG12 . . 4.410 3.498 2.674 4.462 0.052 18 0 "[ . 1 . 2]" 1
346 1 36 ILE H 1 36 ILE HG13 . . 4.080 4.097 3.738 4.424 0.344 4 0 "[ . 1 . 2]" 1
347 1 36 ILE H 1 59 VAL MG2 . . 4.520 4.563 4.064 4.804 0.284 14 0 "[ . 1 . 2]" 1
348 1 36 ILE HA 1 36 ILE MD . . 3.400 2.020 1.873 2.767 . 0 0 "[ . 1 . 2]" 1
349 1 36 ILE HA 1 37 TYR H . . 3.140 2.256 2.107 2.398 . 0 0 "[ . 1 . 2]" 1
350 1 36 ILE HA 1 75 ALA MB . . 5.040 4.540 4.389 4.781 . 0 0 "[ . 1 . 2]" 1
351 1 36 ILE HB 1 37 TYR H . . 4.940 4.467 4.341 4.639 . 0 0 "[ . 1 . 2]" 1
352 1 36 ILE HB 1 59 VAL H . . 4.590 3.718 3.006 4.369 . 0 0 "[ . 1 . 2]" 1
353 1 36 ILE HB 1 59 VAL HB . . 3.820 2.718 2.245 3.409 . 0 0 "[ . 1 . 2]" 1
354 1 36 ILE HB 1 59 VAL MG2 . . 4.330 3.691 3.114 4.232 . 0 0 "[ . 1 . 2]" 1
355 1 36 ILE HB 1 67 LEU MD1 . . 4.970 2.444 1.930 2.956 . 0 0 "[ . 1 . 2]" 1
356 1 36 ILE MD 1 37 TYR H . . 3.840 3.588 3.213 4.434 0.594 1 1 "[+ . 1 . 2]" 1
357 1 36 ILE MD 1 75 ALA H . . 4.820 3.939 3.081 4.181 . 0 0 "[ . 1 . 2]" 1
358 1 36 ILE MD 1 75 ALA MB . . 3.240 2.154 1.847 2.374 . 0 0 "[ . 1 . 2]" 1
359 1 36 ILE HG12 1 67 LEU MD1 . . 3.690 2.782 2.071 3.492 . 0 0 "[ . 1 . 2]" 1
360 1 36 ILE MG 1 37 TYR H . . 3.860 2.876 2.599 3.130 . 0 0 "[ . 1 . 2]" 1
361 1 36 ILE MG 1 59 VAL HB . . 3.880 2.643 1.942 3.457 . 0 0 "[ . 1 . 2]" 1
362 1 36 ILE MG 1 75 ALA MB . . 3.640 2.513 2.076 3.179 . 0 0 "[ . 1 . 2]" 1
363 1 37 TYR H 1 37 TYR QB . . 3.370 2.445 2.299 3.352 . 0 0 "[ . 1 . 2]" 1
364 1 37 TYR H 1 37 TYR QD . . 3.570 2.790 2.446 3.234 . 0 0 "[ . 1 . 2]" 1
365 1 37 TYR H 1 38 VAL H . . 4.640 4.457 4.412 4.518 . 0 0 "[ . 1 . 2]" 1
366 1 37 TYR HA 1 37 TYR QD . . 4.360 2.942 2.362 3.377 . 0 0 "[ . 1 . 2]" 1
367 1 37 TYR HA 1 38 VAL H . . 3.160 2.327 2.272 2.376 . 0 0 "[ . 1 . 2]" 1
368 1 37 TYR HA 1 58 ARG HA . . 3.610 2.106 1.865 2.232 . 0 0 "[ . 1 . 2]" 1
369 1 37 TYR HA 1 58 ARG QB . . 5.340 3.163 2.307 3.909 . 0 0 "[ . 1 . 2]" 1
370 1 37 TYR HA 1 59 VAL H . . 3.750 3.284 3.045 3.566 . 0 0 "[ . 1 . 2]" 1
371 1 37 TYR HA 1 59 VAL MG2 . . 4.300 3.949 3.402 4.294 . 0 0 "[ . 1 . 2]" 1
372 1 37 TYR QB 1 38 VAL H . . 4.340 2.732 2.330 2.848 . 0 0 "[ . 1 . 2]" 1
373 1 37 TYR QD 1 38 VAL H . . 4.490 4.194 3.488 4.471 . 0 0 "[ . 1 . 2]" 1
374 1 37 TYR QE 1 58 ARG QB . . 4.110 3.370 2.811 4.310 0.200 15 0 "[ . 1 . 2]" 1
375 1 37 TYR QE 1 58 ARG QD . . 4.560 3.520 2.380 4.905 0.345 8 0 "[ . 1 . 2]" 1
376 1 38 VAL H 1 38 VAL HB . . 3.410 2.469 2.378 2.542 . 0 0 "[ . 1 . 2]" 1
377 1 38 VAL H 1 38 VAL MG2 . . 3.330 2.176 2.108 2.264 . 0 0 "[ . 1 . 2]" 1
378 1 38 VAL H 1 55 LYS HA . . 4.750 4.462 4.254 4.676 . 0 0 "[ . 1 . 2]" 1
379 1 38 VAL H 1 57 ASP H . . 4.700 4.092 3.786 4.420 . 0 0 "[ . 1 . 2]" 1
380 1 38 VAL H 1 58 ARG HA . . 4.730 3.185 2.670 3.609 . 0 0 "[ . 1 . 2]" 1
381 1 38 VAL H 1 59 VAL MG2 . . 4.400 4.150 3.606 4.483 0.083 15 0 "[ . 1 . 2]" 1
382 1 38 VAL HA 1 38 VAL MG1 . . 3.400 2.334 2.298 2.371 . 0 0 "[ . 1 . 2]" 1
383 1 38 VAL HA 1 38 VAL MG2 . . 3.210 2.380 2.337 2.429 . 0 0 "[ . 1 . 2]" 1
384 1 38 VAL HA 1 39 LYS H . . 3.250 2.061 2.002 2.114 . 0 0 "[ . 1 . 2]" 1
385 1 38 VAL HA 1 39 LYS HA . . 4.890 4.391 4.354 4.437 . 0 0 "[ . 1 . 2]" 1
386 1 38 VAL HA 1 40 ALA H . . 4.110 3.580 3.398 3.706 . 0 0 "[ . 1 . 2]" 1
387 1 38 VAL HB 1 55 LYS H . . 4.780 4.942 4.681 5.101 0.321 13 0 "[ . 1 . 2]" 1
388 1 38 VAL HB 1 55 LYS HA . . 3.920 2.570 2.363 2.832 . 0 0 "[ . 1 . 2]" 1
389 1 38 VAL HB 1 56 GLY H . . 3.780 2.848 2.683 3.032 . 0 0 "[ . 1 . 2]" 1
390 1 38 VAL HB 1 57 ASP H . . 4.070 3.479 3.156 3.673 . 0 0 "[ . 1 . 2]" 1
391 1 38 VAL MG1 1 39 LYS H . . 3.780 3.237 3.153 3.295 . 0 0 "[ . 1 . 2]" 1
392 1 38 VAL MG1 1 40 ALA H . . 3.400 2.489 2.326 2.703 . 0 0 "[ . 1 . 2]" 1
393 1 38 VAL MG1 1 40 ALA HA . . 4.410 3.613 3.254 3.929 . 0 0 "[ . 1 . 2]" 1
394 1 38 VAL MG1 1 55 LYS HA . . 3.180 2.731 2.584 2.949 . 0 0 "[ . 1 . 2]" 1
395 1 38 VAL MG1 1 56 GLY H . . 4.600 3.861 3.672 3.936 . 0 0 "[ . 1 . 2]" 1
396 1 39 LYS H 1 39 LYS QG . . 4.390 3.927 2.213 4.245 . 0 0 "[ . 1 . 2]" 1
397 1 39 LYS H 1 40 ALA H . . 3.230 2.706 2.551 2.774 . 0 0 "[ . 1 . 2]" 1
398 1 39 LYS H 1 55 LYS HA . . 5.500 5.357 5.206 5.537 0.037 12 0 "[ . 1 . 2]" 1
399 1 39 LYS HA 1 40 ALA HA . . 4.780 4.538 4.330 4.601 . 0 0 "[ . 1 . 2]" 1
400 1 39 LYS QB 1 40 ALA H . . 4.250 2.847 2.534 3.829 . 0 0 "[ . 1 . 2]" 1
401 1 39 LYS QD 1 39 LYS QG . . 2.370 2.108 1.944 2.154 . 0 0 "[ . 1 . 2]" 1
402 1 39 LYS QE 1 39 LYS HG2 . . 3.630 2.877 2.386 3.617 . 0 0 "[ . 1 . 2]" 1
403 1 39 LYS QE 1 39 LYS QG . . 3.130 2.393 2.192 2.888 . 0 0 "[ . 1 . 2]" 1
404 1 39 LYS QE 1 39 LYS HG3 . . 3.630 2.647 2.321 3.440 . 0 0 "[ . 1 . 2]" 1
405 1 40 ALA H 1 40 ALA MB . . 3.280 2.897 2.780 3.014 . 0 0 "[ . 1 . 2]" 1
406 1 40 ALA H 1 41 VAL H . . 4.660 4.276 4.148 4.384 . 0 0 "[ . 1 . 2]" 1
407 1 40 ALA HA 1 41 VAL H . . 2.920 2.363 2.290 2.458 . 0 0 "[ . 1 . 2]" 1
408 1 40 ALA HA 1 41 VAL QG . . 4.700 3.321 3.165 3.469 . 0 0 "[ . 1 . 2]" 1
409 1 40 ALA HA 1 55 LYS QD . . 4.630 2.765 2.191 3.388 . 0 0 "[ . 1 . 2]" 1
410 1 40 ALA MB 1 41 VAL H . . 3.470 2.751 2.419 3.014 . 0 0 "[ . 1 . 2]" 1
411 1 40 ALA MB 1 42 ILE MG . . 4.430 3.856 3.213 4.301 . 0 0 "[ . 1 . 2]" 1
412 1 40 ALA MB 1 55 LYS QD . . 4.150 3.664 2.992 4.192 0.042 13 0 "[ . 1 . 2]" 1
413 1 41 VAL H 1 41 VAL HB . . 3.660 2.646 2.492 2.791 . 0 0 "[ . 1 . 2]" 1
414 1 41 VAL H 1 41 VAL QG . . 3.480 2.537 2.376 2.685 . 0 0 "[ . 1 . 2]" 1
415 1 41 VAL H 1 42 ILE MG . . 4.950 4.833 4.281 4.977 0.027 15 0 "[ . 1 . 2]" 1
416 1 41 VAL H 1 55 LYS QD . . 4.530 3.197 2.364 4.572 0.042 19 0 "[ . 1 . 2]" 1
417 1 41 VAL HA 1 42 ILE H . . 3.170 2.304 2.257 2.364 . 0 0 "[ . 1 . 2]" 1
418 1 41 VAL QG 1 42 ILE H . . 3.980 2.636 2.407 2.877 . 0 0 "[ . 1 . 2]" 1
419 1 41 VAL QG 1 47 ALA MB . . 3.260 2.165 1.940 3.242 . 0 0 "[ . 1 . 2]" 1
420 1 41 VAL QG 1 48 GLU H . . 3.990 2.717 2.464 3.361 . 0 0 "[ . 1 . 2]" 1
421 1 41 VAL QG 1 48 GLU HA . . 3.760 2.771 2.436 3.381 . 0 0 "[ . 1 . 2]" 1
422 1 41 VAL QG 1 54 HIS HA . . 3.750 2.624 2.122 3.146 . 0 0 "[ . 1 . 2]" 1
423 1 41 VAL QG 1 55 LYS H . . 4.210 3.074 2.615 3.582 . 0 0 "[ . 1 . 2]" 1
424 1 41 VAL QG 1 55 LYS HA . . 4.920 2.977 2.592 3.340 . 0 0 "[ . 1 . 2]" 1
425 1 42 ILE H 1 42 ILE HB . . 3.770 3.669 3.550 3.759 . 0 0 "[ . 1 . 2]" 1
426 1 42 ILE H 1 42 ILE MD . . 3.860 1.715 1.503 2.806 . 0 0 "[ . 1 . 2]" 1
427 1 42 ILE H 1 42 ILE HG12 . . 4.050 3.507 3.318 3.610 . 0 0 "[ . 1 . 2]" 1
428 1 42 ILE H 1 42 ILE QG . . 3.460 3.172 1.765 3.339 . 0 0 "[ . 1 . 2]" 1
429 1 42 ILE H 1 42 ILE HG13 . . 4.050 3.709 1.771 3.935 . 0 0 "[ . 1 . 2]" 1
430 1 42 ILE H 1 42 ILE MG . . 3.910 2.225 2.082 2.635 . 0 0 "[ . 1 . 2]" 1
431 1 42 ILE HA 1 42 ILE MD . . 3.530 3.466 3.451 3.471 . 0 0 "[ . 1 . 2]" 1
432 1 42 ILE HA 1 42 ILE MG . . 3.220 2.356 2.168 2.400 . 0 0 "[ . 1 . 2]" 1
433 1 42 ILE HA 1 43 PRO QD . . 3.360 2.226 2.128 2.440 . 0 0 "[ . 1 . 2]" 1
434 1 42 ILE MD 1 42 ILE MG . . 2.990 2.204 2.068 3.028 0.038 12 0 "[ . 1 . 2]" 1
435 1 42 ILE MD 1 43 PRO QD . . 4.640 4.173 3.316 4.261 . 0 0 "[ . 1 . 2]" 1
436 1 42 ILE QG 1 42 ILE MG . . 2.930 2.372 2.039 2.415 . 0 0 "[ . 1 . 2]" 1
437 1 42 ILE HG12 1 42 ILE MG . . 3.620 3.258 2.149 3.328 . 0 0 "[ . 1 . 2]" 1
438 1 42 ILE HG13 1 42 ILE MG . . 3.620 2.455 2.425 2.537 . 0 0 "[ . 1 . 2]" 1
439 1 42 ILE MG 1 43 PRO QD . . 3.560 3.242 2.726 3.353 . 0 0 "[ . 1 . 2]" 1
440 1 43 PRO HA 1 44 GLN H . . 2.920 2.510 2.382 2.668 . 0 0 "[ . 1 . 2]" 1
441 1 43 PRO HA 1 44 GLN HA . . 4.710 4.553 4.419 4.712 0.002 19 0 "[ . 1 . 2]" 1
442 1 43 PRO HA 1 45 GLY H . . 4.510 3.631 3.246 4.242 . 0 0 "[ . 1 . 2]" 1
443 1 43 PRO HA 1 48 GLU QG . . 4.190 2.424 1.979 3.908 . 0 0 "[ . 1 . 2]" 1
444 1 43 PRO QB 1 44 GLN H . . 3.840 2.628 2.424 2.757 . 0 0 "[ . 1 . 2]" 1
445 1 43 PRO HB2 1 44 GLN H . . 4.390 2.681 2.464 2.820 . 0 0 "[ . 1 . 2]" 1
446 1 43 PRO HB3 1 44 GLN H . . 4.390 3.788 3.590 3.887 . 0 0 "[ . 1 . 2]" 1
447 1 43 PRO HG2 1 44 GLN H . . 4.920 4.097 3.996 4.182 . 0 0 "[ . 1 . 2]" 1
448 1 43 PRO HG2 1 44 GLN QB . . 3.890 2.671 2.555 2.820 . 0 0 "[ . 1 . 2]" 1
449 1 44 GLN H 1 44 GLN QG . . 3.950 3.167 2.480 3.974 0.024 6 0 "[ . 1 . 2]" 1
450 1 44 GLN H 1 45 GLY H . . 3.630 2.904 2.706 3.009 . 0 0 "[ . 1 . 2]" 1
451 1 44 GLN HA 1 44 GLN HG2 . . 3.700 2.775 2.497 3.719 0.019 20 0 "[ . 1 . 2]" 1
452 1 44 GLN HA 1 44 GLN QG . . 3.000 2.464 2.328 2.936 . 0 0 "[ . 1 . 2]" 1
453 1 44 GLN HA 1 44 GLN HG3 . . 3.700 2.929 2.432 3.750 0.050 18 0 "[ . 1 . 2]" 1
454 1 44 GLN HA 1 45 GLY H . . 3.210 3.076 2.582 3.342 0.132 9 0 "[ . 1 . 2]" 1
455 1 44 GLN QB 1 45 GLY H . . 4.370 3.626 3.254 4.144 . 0 0 "[ . 1 . 2]" 1
456 1 45 GLY H 1 46 ALA H . . 4.750 4.335 4.100 4.477 . 0 0 "[ . 1 . 2]" 1
457 1 45 GLY H 1 48 GLU QB . . 4.050 2.646 2.424 3.996 . 0 0 "[ . 1 . 2]" 1
458 1 45 GLY H 1 48 GLU QG . . 4.170 3.860 2.135 4.076 . 0 0 "[ . 1 . 2]" 1
459 1 45 GLY QA 1 46 ALA H . . 2.880 2.267 2.163 2.347 . 0 0 "[ . 1 . 2]" 1
460 1 45 GLY HA2 1 46 ALA H . . 3.310 2.532 2.394 2.645 . 0 0 "[ . 1 . 2]" 1
461 1 45 GLY HA3 1 46 ALA H . . 3.310 2.565 2.431 2.721 . 0 0 "[ . 1 . 2]" 1
462 1 46 ALA H 1 46 ALA MB . . 3.070 2.382 2.320 2.429 . 0 0 "[ . 1 . 2]" 1
463 1 46 ALA H 1 47 ALA H . . 3.800 2.661 2.552 2.797 . 0 0 "[ . 1 . 2]" 1
464 1 46 ALA HA 1 49 SER QB . . 3.560 2.819 2.521 2.941 . 0 0 "[ . 1 . 2]" 1
465 1 46 ALA HA 1 50 ASP H . . 4.670 3.812 3.500 4.070 . 0 0 "[ . 1 . 2]" 1
466 1 46 ALA MB 1 47 ALA H . . 3.300 2.193 2.112 2.257 . 0 0 "[ . 1 . 2]" 1
467 1 46 ALA MB 1 49 SER QB . . 4.340 4.297 3.998 4.408 0.068 18 0 "[ . 1 . 2]" 1
468 1 46 ALA MB 1 53 ILE MD . . 5.160 4.739 4.517 4.830 . 0 0 "[ . 1 . 2]" 1
469 1 47 ALA H 1 47 ALA MB . . 3.040 2.385 2.330 2.423 . 0 0 "[ . 1 . 2]" 1
470 1 47 ALA H 1 48 GLU H . . 3.720 3.147 3.038 3.194 . 0 0 "[ . 1 . 2]" 1
471 1 47 ALA H 1 53 ILE MD . . 4.850 4.449 4.205 4.665 . 0 0 "[ . 1 . 2]" 1
472 1 47 ALA HA 1 50 ASP H . . 4.870 3.886 3.635 4.076 . 0 0 "[ . 1 . 2]" 1
473 1 47 ALA HA 1 50 ASP QB . . 4.000 3.354 2.905 3.902 . 0 0 "[ . 1 . 2]" 1
474 1 47 ALA HA 1 53 ILE HB . . 4.640 3.204 2.906 3.496 . 0 0 "[ . 1 . 2]" 1
475 1 47 ALA HA 1 53 ILE MD . . 3.760 2.605 2.342 2.760 . 0 0 "[ . 1 . 2]" 1
476 1 47 ALA MB 1 48 GLU H . . 3.650 2.392 2.225 2.476 . 0 0 "[ . 1 . 2]" 1
477 1 47 ALA MB 1 53 ILE MD . . 2.560 2.323 2.028 2.603 0.043 15 0 "[ . 1 . 2]" 1
478 1 47 ALA MB 1 53 ILE MG . . 3.540 2.401 2.202 2.596 . 0 0 "[ . 1 . 2]" 1
479 1 48 GLU H 1 48 GLU QB . . 3.380 2.273 2.225 2.578 . 0 0 "[ . 1 . 2]" 1
480 1 48 GLU H 1 48 GLU QG . . 4.180 3.959 2.358 4.123 . 0 0 "[ . 1 . 2]" 1
481 1 48 GLU H 1 49 SER H . . 3.570 2.825 2.695 2.910 . 0 0 "[ . 1 . 2]" 1
482 1 48 GLU H 1 53 ILE HB . . 5.450 4.830 4.475 4.958 . 0 0 "[ . 1 . 2]" 1
483 1 48 GLU HA 1 48 GLU QG . . 3.350 2.996 2.593 3.466 0.116 9 0 "[ . 1 . 2]" 1
484 1 48 GLU QG 1 49 SER H . . 3.380 3.217 1.556 3.432 0.052 15 0 "[ . 1 . 2]" 1
485 1 48 GLU QG 1 51 GLY H . . 5.060 4.939 4.619 5.108 0.048 12 0 "[ . 1 . 2]" 1
486 1 49 SER H 1 49 SER QB . . 3.020 2.440 2.248 2.647 . 0 0 "[ . 1 . 2]" 1
487 1 49 SER H 1 50 ASP H . . 3.510 2.719 2.643 2.824 . 0 0 "[ . 1 . 2]" 1
488 1 49 SER H 1 51 GLY H . . 4.580 4.102 3.900 4.305 . 0 0 "[ . 1 . 2]" 1
489 1 49 SER HA 1 50 ASP HA . . 4.890 4.653 4.573 4.722 . 0 0 "[ . 1 . 2]" 1
490 1 49 SER QB 1 50 ASP H . . 4.610 2.887 2.739 2.981 . 0 0 "[ . 1 . 2]" 1
491 1 50 ASP H 1 50 ASP QB . . 2.840 2.400 2.262 2.538 . 0 0 "[ . 1 . 2]" 1
492 1 50 ASP H 1 51 GLY H . . 3.380 2.303 2.221 2.420 . 0 0 "[ . 1 . 2]" 1
493 1 50 ASP H 1 53 ILE MD . . 5.500 5.741 5.172 6.178 0.678 17 5 "[* . 1 * . +*-2]" 1
494 1 50 ASP QB 1 51 GLY H . . 3.440 2.876 2.557 3.147 . 0 0 "[ . 1 . 2]" 1
495 1 50 ASP QB 1 53 ILE MD . . 4.470 4.337 3.522 5.306 0.836 17 1 "[ . 1 . + 2]" 1
496 1 51 GLY H 1 52 ARG H . . 3.720 2.564 2.475 2.669 . 0 0 "[ . 1 . 2]" 1
497 1 51 GLY H 1 52 ARG QG . . 5.250 4.298 3.816 5.072 . 0 0 "[ . 1 . 2]" 1
498 1 51 GLY H 1 53 ILE MD . . 4.500 5.307 4.733 5.782 1.282 17 13 "[** * ** -* **.*+**2]" 1
499 1 52 ARG H 1 52 ARG QB . . 3.370 2.454 2.295 2.626 . 0 0 "[ . 1 . 2]" 1
500 1 52 ARG H 1 52 ARG HD2 . . 5.500 4.668 4.364 5.184 . 0 0 "[ . 1 . 2]" 1
501 1 52 ARG H 1 52 ARG QD . . 4.630 4.122 3.656 4.725 0.095 12 0 "[ . 1 . 2]" 1
502 1 52 ARG H 1 52 ARG HD3 . . 5.500 4.778 3.791 5.447 . 0 0 "[ . 1 . 2]" 1
503 1 52 ARG H 1 52 ARG QG . . 3.250 2.524 2.123 3.078 . 0 0 "[ . 1 . 2]" 1
504 1 52 ARG H 1 53 ILE H . . 3.330 2.425 2.232 2.619 . 0 0 "[ . 1 . 2]" 1
505 1 52 ARG H 1 53 ILE HB . . 4.510 3.995 3.802 4.239 . 0 0 "[ . 1 . 2]" 1
506 1 52 ARG H 1 53 ILE MD . . 4.170 4.079 3.241 4.529 0.359 17 0 "[ . 1 . 2]" 1
507 1 52 ARG H 1 53 ILE QG . . 4.930 4.312 3.739 5.150 0.220 12 0 "[ . 1 . 2]" 1
508 1 52 ARG QB 1 53 ILE H . . 4.370 3.511 2.338 3.725 . 0 0 "[ . 1 . 2]" 1
509 1 53 ILE H 1 53 ILE HB . . 3.130 2.761 2.181 2.949 . 0 0 "[ . 1 . 2]" 1
510 1 53 ILE H 1 53 ILE QG . . 4.700 3.513 1.987 4.054 . 0 0 "[ . 1 . 2]" 1
511 1 53 ILE HA 1 53 ILE HG12 . . 4.070 2.919 2.498 3.618 . 0 0 "[ . 1 . 2]" 1
512 1 53 ILE HA 1 53 ILE QG . . 3.490 2.333 2.225 2.422 . 0 0 "[ . 1 . 2]" 1
513 1 53 ILE HA 1 53 ILE HG13 . . 4.070 2.623 2.248 2.881 . 0 0 "[ . 1 . 2]" 1
514 1 53 ILE HA 1 53 ILE MG . . 3.320 2.559 2.494 2.633 . 0 0 "[ . 1 . 2]" 1
515 1 53 ILE HA 1 54 HIS H . . 3.300 2.116 2.065 2.207 . 0 0 "[ . 1 . 2]" 1
516 1 53 ILE HA 1 90 LEU QD . . 4.350 3.740 3.220 4.286 . 0 0 "[ . 1 . 2]" 1
517 1 53 ILE HB 1 53 ILE MD . . 3.260 2.449 2.324 2.520 . 0 0 "[ . 1 . 2]" 1
518 1 53 ILE HB 1 54 HIS H . . 4.400 4.036 3.881 4.254 . 0 0 "[ . 1 . 2]" 1
519 1 53 ILE MD 1 90 LEU QD . . 4.200 2.824 2.558 3.119 . 0 0 "[ . 1 . 2]" 1
520 1 53 ILE QG 1 53 ILE MG . . 2.810 2.238 2.086 2.341 . 0 0 "[ . 1 . 2]" 1
521 1 53 ILE QG 1 54 HIS H . . 4.550 3.746 3.648 3.850 . 0 0 "[ . 1 . 2]" 1
522 1 53 ILE QG 1 90 LEU QD . . 4.000 2.399 2.128 2.647 . 0 0 "[ . 1 . 2]" 1
523 1 53 ILE HG12 1 53 ILE MG . . 3.480 2.308 2.173 2.401 . 0 0 "[ . 1 . 2]" 1
524 1 53 ILE HG13 1 53 ILE MG . . 3.480 3.048 2.632 3.247 . 0 0 "[ . 1 . 2]" 1
525 1 53 ILE MG 1 54 HIS H . . 3.530 2.298 2.106 2.437 . 0 0 "[ . 1 . 2]" 1
526 1 53 ILE MG 1 54 HIS HA . . 4.170 3.111 2.773 3.485 . 0 0 "[ . 1 . 2]" 1
527 1 53 ILE MG 1 57 ASP HB2 . . 4.630 3.544 2.854 3.818 . 0 0 "[ . 1 . 2]" 1
528 1 53 ILE MG 1 57 ASP HB3 . . 4.630 4.743 4.014 4.952 0.322 3 0 "[ . 1 . 2]" 1
529 1 54 HIS H 1 54 HIS HB2 . . 4.110 3.333 2.778 4.136 0.026 4 0 "[ . 1 . 2]" 1
530 1 54 HIS H 1 54 HIS QB . . 3.400 3.021 2.722 3.418 0.018 3 0 "[ . 1 . 2]" 1
531 1 54 HIS H 1 54 HIS HB3 . . 4.110 3.789 3.293 4.010 . 0 0 "[ . 1 . 2]" 1
532 1 54 HIS H 1 54 HIS HD2 . . 4.750 4.078 2.420 4.899 0.149 16 0 "[ . 1 . 2]" 1
533 1 54 HIS H 1 57 ASP QB . . 4.390 2.757 2.400 3.135 . 0 0 "[ . 1 . 2]" 1
534 1 54 HIS HA 1 55 LYS H . . 3.330 2.474 2.340 2.658 . 0 0 "[ . 1 . 2]" 1
535 1 54 HIS QB 1 55 LYS H . . 3.160 2.485 2.224 2.893 . 0 0 "[ . 1 . 2]" 1
536 1 55 LYS H 1 55 LYS QB . . 2.910 2.467 2.239 2.668 . 0 0 "[ . 1 . 2]" 1
537 1 55 LYS H 1 55 LYS QE . . 4.610 3.810 1.534 4.673 0.063 15 0 "[ . 1 . 2]" 1
538 1 55 LYS H 1 55 LYS HG2 . . 4.570 3.543 2.108 4.517 . 0 0 "[ . 1 . 2]" 1
539 1 55 LYS H 1 55 LYS HG3 . . 4.570 2.579 2.071 4.528 . 0 0 "[ . 1 . 2]" 1
540 1 55 LYS HA 1 55 LYS QG . . 3.650 2.544 2.355 3.396 . 0 0 "[ . 1 . 2]" 1
541 1 55 LYS HA 1 56 GLY H . . 2.920 2.273 2.220 2.316 . 0 0 "[ . 1 . 2]" 1
542 1 55 LYS HA 1 57 ASP H . . 3.910 3.580 3.380 3.722 . 0 0 "[ . 1 . 2]" 1
543 1 55 LYS QB 1 55 LYS QE . . 2.640 2.169 2.068 2.670 0.030 5 0 "[ . 1 . 2]" 1
544 1 55 LYS QB 1 56 GLY H . . 4.010 2.962 2.681 3.729 . 0 0 "[ . 1 . 2]" 1
545 1 55 LYS QG 1 56 GLY H . . 4.710 3.935 2.567 4.276 . 0 0 "[ . 1 . 2]" 1
546 1 56 GLY H 1 57 ASP H . . 3.250 2.955 2.783 3.122 . 0 0 "[ . 1 . 2]" 1
547 1 56 GLY QA 1 57 ASP HA . . 4.510 4.048 3.994 4.102 . 0 0 "[ . 1 . 2]" 1
548 1 56 GLY QA 1 93 GLY QA . . 4.730 3.719 3.234 4.117 . 0 0 "[ . 1 . 2]" 1
549 1 57 ASP H 1 57 ASP QB . . 2.950 2.482 2.398 2.556 . 0 0 "[ . 1 . 2]" 1
550 1 57 ASP H 1 58 ARG H . . 4.890 4.641 4.591 4.697 . 0 0 "[ . 1 . 2]" 1
551 1 57 ASP H 1 93 GLY QA . . 4.780 4.116 3.057 4.436 . 0 0 "[ . 1 . 2]" 1
552 1 57 ASP HA 1 58 ARG H . . 3.050 2.373 2.166 2.484 . 0 0 "[ . 1 . 2]" 1
553 1 57 ASP HA 1 58 ARG HA . . 5.150 4.308 4.179 4.398 . 0 0 "[ . 1 . 2]" 1
554 1 57 ASP HA 1 92 LYS HA . . 4.830 3.549 3.142 5.649 0.819 7 1 "[ . + 1 . 2]" 1
555 1 57 ASP HA 1 93 GLY H . . 3.620 2.511 2.106 3.384 . 0 0 "[ . 1 . 2]" 1
556 1 57 ASP HA 1 93 GLY QA . . 4.050 2.360 1.992 2.720 . 0 0 "[ . 1 . 2]" 1
557 1 57 ASP QB 1 90 LEU QB . . 4.460 2.671 2.373 3.098 . 0 0 "[ . 1 . 2]" 1
558 1 57 ASP QB 1 90 LEU QD . . 3.730 3.676 3.034 3.876 0.146 11 0 "[ . 1 . 2]" 1
559 1 58 ARG H 1 58 ARG HB2 . . 3.850 3.320 2.564 3.873 0.023 6 0 "[ . 1 . 2]" 1
560 1 58 ARG H 1 58 ARG QB . . 3.270 2.753 2.354 3.291 0.021 15 0 "[ . 1 . 2]" 1
561 1 58 ARG H 1 58 ARG HB3 . . 3.850 3.113 2.435 3.791 . 0 0 "[ . 1 . 2]" 1
562 1 58 ARG H 1 90 LEU HA . . 4.820 4.432 4.258 4.750 . 0 0 "[ . 1 . 2]" 1
563 1 58 ARG H 1 91 GLU H . . 4.110 2.666 2.358 2.937 . 0 0 "[ . 1 . 2]" 1
564 1 58 ARG H 1 91 GLU QB . . 4.060 3.490 2.854 4.556 0.496 10 0 "[ . 1 . 2]" 1
565 1 58 ARG H 1 92 LYS H . . 5.500 5.150 4.990 5.524 0.024 7 0 "[ . 1 . 2]" 1
566 1 58 ARG H 1 93 GLY H . . 5.020 4.138 3.574 4.732 . 0 0 "[ . 1 . 2]" 1
567 1 58 ARG HA 1 58 ARG QG . . 3.590 2.950 2.430 3.567 . 0 0 "[ . 1 . 2]" 1
568 1 58 ARG HA 1 59 VAL H . . 3.120 2.201 2.155 2.272 . 0 0 "[ . 1 . 2]" 1
569 1 58 ARG HA 1 59 VAL MG2 . . 5.500 3.354 3.078 3.629 . 0 0 "[ . 1 . 2]" 1
570 1 58 ARG QB 1 91 GLU H . . 5.340 3.748 2.671 4.518 . 0 0 "[ . 1 . 2]" 1
571 1 58 ARG QD 1 60 LEU QD . . 4.170 3.436 2.234 4.039 . 0 0 "[ . 1 . 2]" 1
572 1 58 ARG HD2 1 60 LEU QD . . 5.000 3.721 2.444 4.884 . 0 0 "[ . 1 . 2]" 1
573 1 58 ARG HD3 1 60 LEU QD . . 5.000 4.241 2.585 5.468 0.468 13 0 "[ . 1 . 2]" 1
574 1 58 ARG QG 1 60 LEU QD . . 3.410 3.815 2.859 4.927 1.517 4 9 "[ +** -** **. *2]" 1
575 1 59 VAL H 1 59 VAL HB . . 3.300 2.618 2.561 2.698 . 0 0 "[ . 1 . 2]" 1
576 1 59 VAL H 1 59 VAL MG2 . . 3.210 2.276 2.167 2.400 . 0 0 "[ . 1 . 2]" 1
577 1 59 VAL H 1 60 LEU H . . 4.430 4.498 4.451 4.560 0.130 19 0 "[ . 1 . 2]" 1
578 1 59 VAL H 1 90 LEU QD . . 4.450 5.306 4.782 5.980 1.530 13 18 "[** ******* *+**-****]" 1
579 1 59 VAL HA 1 59 VAL MG1 . . 3.280 2.332 2.272 2.366 . 0 0 "[ . 1 . 2]" 1
580 1 59 VAL HA 1 59 VAL MG2 . . 3.340 2.444 2.370 2.499 . 0 0 "[ . 1 . 2]" 1
581 1 59 VAL HA 1 60 LEU H . . 3.120 2.212 2.166 2.279 . 0 0 "[ . 1 . 2]" 1
582 1 59 VAL HA 1 61 ALA H . . 4.370 4.343 4.272 4.401 0.031 14 0 "[ . 1 . 2]" 1
583 1 59 VAL HA 1 88 LEU QD . . 5.330 4.075 3.039 5.096 . 0 0 "[ . 1 . 2]" 1
584 1 59 VAL HA 1 90 LEU HA . . 3.870 2.477 2.316 2.660 . 0 0 "[ . 1 . 2]" 1
585 1 59 VAL HA 1 90 LEU QD . . 3.630 3.556 2.980 4.353 0.723 7 2 "[ . + 1 - . 2]" 1
586 1 59 VAL HA 1 91 GLU H . . 4.840 3.832 3.633 4.103 . 0 0 "[ . 1 . 2]" 1
587 1 59 VAL MG1 1 60 LEU H . . 4.040 2.551 2.406 2.671 . 0 0 "[ . 1 . 2]" 1
588 1 59 VAL MG1 1 60 LEU HA . . 4.550 4.002 3.877 4.139 . 0 0 "[ . 1 . 2]" 1
589 1 59 VAL MG1 1 60 LEU HG . . 4.770 4.801 4.644 4.948 0.178 14 0 "[ . 1 . 2]" 1
590 1 59 VAL MG1 1 61 ALA H . . 3.370 2.957 2.815 3.149 . 0 0 "[ . 1 . 2]" 1
591 1 59 VAL MG1 1 61 ALA MB . . 4.280 4.257 4.116 4.429 0.149 5 0 "[ . 1 . 2]" 1
592 1 59 VAL MG1 1 90 LEU H . . 5.020 5.262 5.170 5.355 0.335 4 0 "[ . 1 . 2]" 1
593 1 59 VAL MG2 1 60 LEU H . . 5.170 4.129 4.023 4.227 . 0 0 "[ . 1 . 2]" 1
594 1 59 VAL MG2 1 88 LEU QB . . 5.090 3.999 3.338 4.417 . 0 0 "[ . 1 . 2]" 1
595 1 59 VAL MG2 1 90 LEU HA . . 4.950 3.993 3.795 4.250 . 0 0 "[ . 1 . 2]" 1
596 1 60 LEU H 1 60 LEU QD . . 3.760 3.264 3.151 3.353 . 0 0 "[ . 1 . 2]" 1
597 1 60 LEU H 1 60 LEU HG . . 4.080 2.738 2.509 2.990 . 0 0 "[ . 1 . 2]" 1
598 1 60 LEU H 1 61 ALA H . . 3.290 2.390 2.293 2.489 . 0 0 "[ . 1 . 2]" 1
599 1 60 LEU H 1 90 LEU HA . . 3.670 2.959 2.478 3.292 . 0 0 "[ . 1 . 2]" 1
600 1 60 LEU HA 1 60 LEU QD . . 3.050 2.300 2.175 2.428 . 0 0 "[ . 1 . 2]" 1
601 1 60 LEU HA 1 60 LEU HG . . 3.410 2.925 2.716 3.240 . 0 0 "[ . 1 . 2]" 1
602 1 60 LEU QD 1 61 ALA H . . 4.140 3.761 3.649 3.867 . 0 0 "[ . 1 . 2]" 1
603 1 60 LEU QD 1 90 LEU HA . . 4.350 3.591 3.016 3.895 . 0 0 "[ . 1 . 2]" 1
604 1 60 LEU QD 1 91 GLU H . . 4.920 3.557 3.369 3.832 . 0 0 "[ . 1 . 2]" 1
605 1 60 LEU QD 1 91 GLU HA . . 4.510 3.060 2.814 3.617 . 0 0 "[ . 1 . 2]" 1
606 1 61 ALA H 1 61 ALA MB . . 3.580 2.540 2.500 2.564 . 0 0 "[ . 1 . 2]" 1
607 1 61 ALA H 1 62 VAL H . . 4.630 4.359 4.304 4.417 . 0 0 "[ . 1 . 2]" 1
608 1 61 ALA H 1 89 LEU HB2 . . 3.480 2.268 1.999 2.450 . 0 0 "[ . 1 . 2]" 1
609 1 61 ALA H 1 89 LEU HB3 . . 4.710 3.721 3.610 3.760 . 0 0 "[ . 1 . 2]" 1
610 1 61 ALA H 1 89 LEU MD2 . . 4.650 3.889 3.206 4.275 . 0 0 "[ . 1 . 2]" 1
611 1 61 ALA HA 1 62 VAL H . . 2.920 2.310 2.260 2.353 . 0 0 "[ . 1 . 2]" 1
612 1 61 ALA HA 1 62 VAL MG2 . . 4.230 3.509 3.399 3.701 . 0 0 "[ . 1 . 2]" 1
613 1 61 ALA HA 1 65 VAL H . . 5.500 4.808 4.552 5.098 . 0 0 "[ . 1 . 2]" 1
614 1 61 ALA HA 1 66 SER HA . . 3.840 2.856 2.489 3.464 . 0 0 "[ . 1 . 2]" 1
615 1 61 ALA HA 1 67 LEU H . . 3.650 2.345 2.059 3.606 . 0 0 "[ . 1 . 2]" 1
616 1 61 ALA HA 1 67 LEU HG . . 5.010 4.217 3.929 4.303 . 0 0 "[ . 1 . 2]" 1
617 1 61 ALA MB 1 62 VAL H . . 3.170 2.721 2.661 2.771 . 0 0 "[ . 1 . 2]" 1
618 1 61 ALA MB 1 64 GLY H . . 4.160 2.858 2.720 3.072 . 0 0 "[ . 1 . 2]" 1
619 1 61 ALA MB 1 64 GLY HA2 . . 4.250 3.052 2.779 3.358 . 0 0 "[ . 1 . 2]" 1
620 1 61 ALA MB 1 66 SER HA . . 3.270 2.417 2.228 2.987 . 0 0 "[ . 1 . 2]" 1
621 1 61 ALA MB 1 66 SER QB . . 4.810 4.040 3.580 4.669 . 0 0 "[ . 1 . 2]" 1
622 1 61 ALA MB 1 67 LEU H . . 4.230 3.388 3.164 4.170 . 0 0 "[ . 1 . 2]" 1
623 1 61 ALA MB 1 89 LEU HB2 . . 3.340 2.769 2.537 2.909 . 0 0 "[ . 1 . 2]" 1
624 1 61 ALA MB 1 89 LEU HB3 . . 4.570 4.257 4.049 4.397 . 0 0 "[ . 1 . 2]" 1
625 1 61 ALA MB 1 89 LEU MD2 . . 3.330 2.659 2.069 3.127 . 0 0 "[ . 1 . 2]" 1
626 1 62 VAL H 1 62 VAL HB . . 3.140 2.682 2.591 2.877 . 0 0 "[ . 1 . 2]" 1
627 1 62 VAL H 1 62 VAL MG1 . . 4.200 3.881 3.847 3.926 . 0 0 "[ . 1 . 2]" 1
628 1 62 VAL H 1 62 VAL MG2 . . 3.810 2.741 2.659 2.808 . 0 0 "[ . 1 . 2]" 1
629 1 62 VAL H 1 64 GLY H . . 4.910 3.829 3.692 3.906 . 0 0 "[ . 1 . 2]" 1
630 1 62 VAL H 1 65 VAL H . . 3.790 3.184 3.014 3.389 . 0 0 "[ . 1 . 2]" 1
631 1 62 VAL H 1 66 SER HA . . 4.160 4.298 3.932 4.721 0.561 8 1 "[ . + 1 . 2]" 1
632 1 62 VAL H 1 67 LEU HB2 . . 4.690 2.779 2.464 3.215 . 0 0 "[ . 1 . 2]" 1
633 1 62 VAL H 1 67 LEU MD2 . . 3.670 3.327 2.723 3.666 . 0 0 "[ . 1 . 2]" 1
634 1 62 VAL HA 1 62 VAL MG1 . . 3.280 2.354 2.277 2.391 . 0 0 "[ . 1 . 2]" 1
635 1 62 VAL HA 1 62 VAL MG2 . . 3.450 2.416 2.381 2.506 . 0 0 "[ . 1 . 2]" 1
636 1 62 VAL HA 1 88 LEU HA . . 4.020 2.665 2.339 2.972 . 0 0 "[ . 1 . 2]" 1
637 1 62 VAL HA 1 88 LEU QD . . 3.660 4.004 3.674 4.347 0.687 20 4 "[ ** . -1 . +]" 1
638 1 62 VAL HA 1 89 LEU H . . 4.330 3.924 3.677 4.127 . 0 0 "[ . 1 . 2]" 1
639 1 62 VAL HB 1 63 ASN H . . 5.190 4.167 3.951 4.293 . 0 0 "[ . 1 . 2]" 1
640 1 62 VAL HB 1 64 GLY H . . 5.490 5.256 5.153 5.363 . 0 0 "[ . 1 . 2]" 1
641 1 62 VAL HB 1 67 LEU MD2 . . 3.210 2.922 2.328 3.225 0.015 3 0 "[ . 1 . 2]" 1
642 1 62 VAL HB 1 78 THR MG . . 3.490 2.105 2.010 2.205 . 0 0 "[ . 1 . 2]" 1
643 1 62 VAL MG1 1 63 ASN H . . 3.720 2.728 2.486 2.966 . 0 0 "[ . 1 . 2]" 1
644 1 62 VAL MG1 1 78 THR MG . . 3.100 2.155 1.987 2.281 . 0 0 "[ . 1 . 2]" 1
645 1 62 VAL MG1 1 86 VAL QG . . 3.180 2.484 1.991 2.851 . 0 0 "[ . 1 . 2]" 1
646 1 62 VAL MG1 1 88 LEU HA . . 4.270 3.983 3.544 4.260 . 0 0 "[ . 1 . 2]" 1
647 1 62 VAL MG1 1 88 LEU QB . . 4.800 2.516 2.210 2.724 . 0 0 "[ . 1 . 2]" 1
648 1 62 VAL MG2 1 88 LEU HA . . 4.790 4.142 3.455 4.598 . 0 0 "[ . 1 . 2]" 1
649 1 63 ASN H 1 64 GLY H . . 3.840 2.803 2.707 2.962 . 0 0 "[ . 1 . 2]" 1
650 1 63 ASN H 1 86 VAL QG . . 4.610 3.659 2.234 4.170 . 0 0 "[ . 1 . 2]" 1
651 1 63 ASN H 1 87 HIS H . . 4.270 4.050 3.417 4.334 0.064 10 0 "[ . 1 . 2]" 1
652 1 63 ASN H 1 87 HIS QB . . 4.450 3.787 3.072 4.215 . 0 0 "[ . 1 . 2]" 1
653 1 63 ASN H 1 88 LEU HA . . 4.300 2.699 2.351 3.231 . 0 0 "[ . 1 . 2]" 1
654 1 63 ASN H 1 89 LEU H . . 5.100 4.483 4.156 4.991 . 0 0 "[ . 1 . 2]" 1
655 1 63 ASN HA 1 64 GLY HA3 . . 4.470 4.305 4.206 4.376 . 0 0 "[ . 1 . 2]" 1
656 1 63 ASN HA 1 65 VAL H . . 4.680 4.439 4.341 4.541 . 0 0 "[ . 1 . 2]" 1
657 1 63 ASN HA 1 87 HIS QB . . 3.610 2.858 2.155 3.287 . 0 0 "[ . 1 . 2]" 1
658 1 63 ASN QB 1 65 VAL H . . 4.840 3.621 3.318 4.533 . 0 0 "[ . 1 . 2]" 1
659 1 63 ASN QB 1 65 VAL QG . . 4.900 3.055 2.642 4.115 . 0 0 "[ . 1 . 2]" 1
660 1 63 ASN QB 1 88 LEU QD . . 5.340 5.476 5.143 5.805 0.465 10 0 "[ . 1 . 2]" 1
661 1 64 GLY H 1 65 VAL H . . 3.600 2.822 2.685 2.955 . 0 0 "[ . 1 . 2]" 1
662 1 64 GLY H 1 65 VAL HB . . 5.490 4.790 4.710 4.897 . 0 0 "[ . 1 . 2]" 1
663 1 64 GLY H 1 65 VAL QG . . 4.760 4.129 4.037 4.367 . 0 0 "[ . 1 . 2]" 1
664 1 64 GLY H 1 89 LEU MD2 . . 5.410 4.901 3.217 5.514 0.104 9 0 "[ . 1 . 2]" 1
665 1 65 VAL H 1 65 VAL HB . . 3.190 2.229 2.116 2.314 . 0 0 "[ . 1 . 2]" 1
666 1 65 VAL H 1 65 VAL QG . . 3.030 2.007 1.823 2.228 . 0 0 "[ . 1 . 2]" 1
667 1 65 VAL H 1 66 SER H . . 4.620 4.251 4.194 4.316 . 0 0 "[ . 1 . 2]" 1
668 1 65 VAL H 1 67 LEU MD2 . . 4.780 5.183 4.688 5.510 0.730 14 7 "[ * *- * 1 *+* 2]" 1
669 1 65 VAL HA 1 65 VAL QG . . 3.000 2.095 2.062 2.129 . 0 0 "[ . 1 . 2]" 1
670 1 65 VAL HA 1 66 SER H . . 2.730 2.138 2.066 2.194 . 0 0 "[ . 1 . 2]" 1
671 1 65 VAL HB 1 66 SER H . . 4.850 4.336 4.211 4.426 . 0 0 "[ . 1 . 2]" 1
672 1 65 VAL HB 1 78 THR MG . . 4.440 2.832 2.272 3.190 . 0 0 "[ . 1 . 2]" 1
673 1 65 VAL QG 1 66 SER H . . 3.730 2.910 2.641 3.019 . 0 0 "[ . 1 . 2]" 1
674 1 66 SER H 1 66 SER HB2 . . 3.770 2.731 2.506 2.878 . 0 0 "[ . 1 . 2]" 1
675 1 66 SER H 1 66 SER QB . . 2.960 2.633 2.333 2.786 . 0 0 "[ . 1 . 2]" 1
676 1 66 SER H 1 66 SER HB3 . . 3.770 3.520 2.780 3.774 0.004 17 0 "[ . 1 . 2]" 1
677 1 66 SER HA 1 67 LEU H . . 3.020 2.232 2.140 2.316 . 0 0 "[ . 1 . 2]" 1
678 1 66 SER HA 1 67 LEU HA . . 4.460 4.328 4.275 4.418 . 0 0 "[ . 1 . 2]" 1
679 1 66 SER QB 1 67 LEU H . . 3.850 3.444 2.596 3.872 0.022 3 0 "[ . 1 . 2]" 1
680 1 66 SER QB 1 68 GLU H . . 5.090 3.446 3.085 4.154 . 0 0 "[ . 1 . 2]" 1
681 1 66 SER HB2 1 67 LEU H . . 4.380 4.308 3.756 4.413 0.033 3 0 "[ . 1 . 2]" 1
682 1 66 SER HB3 1 67 LEU H . . 4.380 3.647 2.647 4.285 . 0 0 "[ . 1 . 2]" 1
683 1 67 LEU H 1 67 LEU HB2 . . 3.250 2.471 2.277 3.070 . 0 0 "[ . 1 . 2]" 1
684 1 67 LEU H 1 67 LEU HB3 . . 4.040 2.662 2.547 3.166 . 0 0 "[ . 1 . 2]" 1
685 1 67 LEU H 1 68 GLU HA . . 4.530 4.482 4.207 4.544 0.014 6 0 "[ . 1 . 2]" 1
686 1 67 LEU H 1 68 GLU QB . . 4.130 4.182 3.811 4.231 0.101 19 0 "[ . 1 . 2]" 1
687 1 67 LEU H 1 68 GLU QG . . 3.730 3.472 3.035 3.864 0.134 16 0 "[ . 1 . 2]" 1
688 1 67 LEU HA 1 67 LEU MD2 . . 3.030 2.043 2.007 2.143 . 0 0 "[ . 1 . 2]" 1
689 1 67 LEU HA 1 70 ALA MB . . 3.460 2.594 2.313 2.760 . 0 0 "[ . 1 . 2]" 1
690 1 67 LEU HB2 1 67 LEU MD1 . . 3.330 3.232 3.207 3.279 . 0 0 "[ . 1 . 2]" 1
691 1 67 LEU HB2 1 67 LEU MD2 . . 2.640 2.451 2.363 2.516 . 0 0 "[ . 1 . 2]" 1
692 1 67 LEU HB2 1 68 GLU H . . 4.100 3.895 3.687 3.985 . 0 0 "[ . 1 . 2]" 1
693 1 67 LEU HB3 1 67 LEU MD2 . . 3.340 3.298 3.267 3.326 . 0 0 "[ . 1 . 2]" 1
694 1 67 LEU HB3 1 68 GLU H . . 4.730 3.200 2.978 3.358 . 0 0 "[ . 1 . 2]" 1
695 1 67 LEU HB3 1 70 ALA H . . 4.730 5.001 4.894 5.068 0.338 14 0 "[ . 1 . 2]" 1
696 1 67 LEU HB3 1 70 ALA MB . . 4.020 4.131 4.085 4.186 0.166 17 0 "[ . 1 . 2]" 1
697 1 67 LEU MD1 1 75 ALA HA . . 4.020 2.224 1.969 3.090 . 0 0 "[ . 1 . 2]" 1
698 1 67 LEU MD1 1 76 VAL H . . 4.870 4.978 4.731 5.106 0.236 7 0 "[ . 1 . 2]" 1
699 1 67 LEU MD2 1 68 GLU H . . 4.730 4.768 4.744 4.796 0.066 12 0 "[ . 1 . 2]" 1
700 1 67 LEU MD2 1 70 ALA MB . . 3.360 2.128 1.963 2.690 . 0 0 "[ . 1 . 2]" 1
701 1 67 LEU MD2 1 74 GLN QB . . 4.690 3.412 2.887 4.718 0.028 17 0 "[ . 1 . 2]" 1
702 1 67 LEU MD2 1 75 ALA H . . 5.200 3.948 3.658 4.198 . 0 0 "[ . 1 . 2]" 1
703 1 67 LEU MD2 1 75 ALA HA . . 3.530 2.079 1.869 2.399 . 0 0 "[ . 1 . 2]" 1
704 1 67 LEU MD2 1 75 ALA MB . . 4.060 3.342 2.480 3.658 . 0 0 "[ . 1 . 2]" 1
705 1 67 LEU MD2 1 78 THR H . . 4.550 4.174 3.862 4.428 . 0 0 "[ . 1 . 2]" 1
706 1 67 LEU MD2 1 78 THR HB . . 4.170 2.802 2.448 3.287 . 0 0 "[ . 1 . 2]" 1
707 1 67 LEU MD2 1 78 THR MG . . 2.980 2.851 2.314 3.229 0.249 9 0 "[ . 1 . 2]" 1
708 1 68 GLU H 1 68 GLU QB . . 2.830 2.525 2.452 2.669 . 0 0 "[ . 1 . 2]" 1
709 1 68 GLU H 1 68 GLU QG . . 3.690 2.267 1.888 3.174 . 0 0 "[ . 1 . 2]" 1
710 1 68 GLU H 1 69 GLY H . . 4.630 4.580 4.524 4.634 0.004 14 0 "[ . 1 . 2]" 1
711 1 68 GLU H 1 70 ALA H . . 4.640 4.316 4.224 4.406 . 0 0 "[ . 1 . 2]" 1
712 1 68 GLU HA 1 68 GLU QG . . 3.580 2.831 2.333 3.593 0.013 16 0 "[ . 1 . 2]" 1
713 1 68 GLU HA 1 69 GLY H . . 3.070 2.197 2.120 2.311 . 0 0 "[ . 1 . 2]" 1
714 1 68 GLU QB 1 69 GLY H . . 4.400 3.172 2.991 3.317 . 0 0 "[ . 1 . 2]" 1
715 1 68 GLU QG 1 69 GLY H . . 4.560 4.236 3.925 4.466 . 0 0 "[ . 1 . 2]" 1
716 1 69 GLY H 1 70 ALA H . . 3.500 2.607 2.486 2.788 . 0 0 "[ . 1 . 2]" 1
717 1 70 ALA H 1 70 ALA MB . . 2.990 2.326 2.268 2.347 . 0 0 "[ . 1 . 2]" 1
718 1 70 ALA HA 1 71 THR H . . 2.750 2.357 2.240 2.446 . 0 0 "[ . 1 . 2]" 1
719 1 70 ALA HA 1 74 GLN QB . . 4.310 3.621 3.288 4.431 0.121 17 0 "[ . 1 . 2]" 1
720 1 70 ALA HA 1 74 GLN QG . . 4.480 3.951 2.964 4.386 . 0 0 "[ . 1 . 2]" 1
721 1 70 ALA MB 1 71 THR H . . 3.500 2.606 2.472 2.751 . 0 0 "[ . 1 . 2]" 1
722 1 70 ALA MB 1 74 GLN QB . . 3.500 2.070 1.877 3.288 . 0 0 "[ . 1 . 2]" 1
723 1 70 ALA MB 1 74 GLN QG . . 3.960 3.300 1.824 3.808 . 0 0 "[ . 1 . 2]" 1
724 1 70 ALA MB 1 75 ALA H . . 3.760 3.492 2.812 3.851 0.091 17 0 "[ . 1 . 2]" 1
725 1 71 THR H 1 71 THR MG . . 3.060 2.093 2.019 2.174 . 0 0 "[ . 1 . 2]" 1
726 1 71 THR H 1 74 GLN H . . 4.140 3.611 3.452 3.790 . 0 0 "[ . 1 . 2]" 1
727 1 71 THR H 1 74 GLN HA . . 5.500 5.112 4.916 5.300 . 0 0 "[ . 1 . 2]" 1
728 1 71 THR H 1 74 GLN QB . . 3.380 2.336 2.147 2.789 . 0 0 "[ . 1 . 2]" 1
729 1 71 THR HA 1 71 THR MG . . 3.200 2.450 2.389 2.520 . 0 0 "[ . 1 . 2]" 1
730 1 71 THR HA 1 74 GLN H . . 4.900 4.820 4.669 4.920 0.020 14 0 "[ . 1 . 2]" 1
731 1 71 THR HB 1 73 LYS H . . 5.200 3.389 3.254 3.653 . 0 0 "[ . 1 . 2]" 1
732 1 71 THR MG 1 73 LYS H . . 4.940 4.642 4.530 4.702 . 0 0 "[ . 1 . 2]" 1
733 1 71 THR MG 1 74 GLN H . . 4.570 4.068 3.977 4.146 . 0 0 "[ . 1 . 2]" 1
734 1 71 THR MG 1 74 GLN QB . . 5.500 3.792 3.519 4.033 . 0 0 "[ . 1 . 2]" 1
735 1 72 HIS H 1 72 HIS HB2 . . 3.700 3.255 2.495 3.776 0.076 5 0 "[ . 1 . 2]" 1
736 1 72 HIS H 1 72 HIS QB . . 3.080 2.604 2.230 2.878 . 0 0 "[ . 1 . 2]" 1
737 1 72 HIS H 1 72 HIS HB3 . . 3.700 2.927 2.472 3.744 0.044 20 0 "[ . 1 . 2]" 1
738 1 72 HIS H 1 72 HIS HE1 . . 5.500 5.485 4.137 7.165 1.665 14 5 "[ -* . 1 +.** 2]" 1
739 1 72 HIS H 1 73 LYS H . . 3.830 2.838 2.775 2.912 . 0 0 "[ . 1 . 2]" 1
740 1 72 HIS QB 1 72 HIS HE1 . . 4.620 4.452 4.348 4.548 . 0 0 "[ . 1 . 2]" 1
741 1 72 HIS QB 1 73 LYS H . . 3.460 2.992 2.196 3.615 0.155 7 0 "[ . 1 . 2]" 1
742 1 72 HIS QB 1 73 LYS HA . . 4.530 4.199 3.572 4.550 0.020 7 0 "[ . 1 . 2]" 1
743 1 72 HIS HB2 1 73 LYS H . . 4.320 3.532 2.232 3.975 . 0 0 "[ . 1 . 2]" 1
744 1 72 HIS HB3 1 73 LYS H . . 4.320 3.567 2.354 4.267 . 0 0 "[ . 1 . 2]" 1
745 1 73 LYS H 1 74 GLN H . . 4.050 2.984 2.884 3.041 . 0 0 "[ . 1 . 2]" 1
746 1 73 LYS QB 1 73 LYS QD . . 2.870 2.329 2.118 2.906 0.036 3 0 "[ . 1 . 2]" 1
747 1 73 LYS QB 1 74 GLN H . . 3.770 2.342 2.129 3.484 . 0 0 "[ . 1 . 2]" 1
748 1 73 LYS QG 1 74 GLN H . . 4.330 3.726 2.175 4.139 . 0 0 "[ . 1 . 2]" 1
749 1 74 GLN H 1 74 GLN HG2 . . 3.750 2.695 1.915 3.565 . 0 0 "[ . 1 . 2]" 1
750 1 74 GLN H 1 74 GLN QG . . 3.120 2.145 1.905 2.939 . 0 0 "[ . 1 . 2]" 1
751 1 74 GLN H 1 74 GLN HG3 . . 3.750 2.878 2.147 3.469 . 0 0 "[ . 1 . 2]" 1
752 1 74 GLN H 1 75 ALA H . . 3.540 2.774 2.707 2.825 . 0 0 "[ . 1 . 2]" 1
753 1 74 GLN HA 1 74 GLN QG . . 3.580 2.747 2.385 3.466 . 0 0 "[ . 1 . 2]" 1
754 1 74 GLN QB 1 75 ALA H . . 3.990 2.460 2.266 3.374 . 0 0 "[ . 1 . 2]" 1
755 1 74 GLN QG 1 75 ALA H . . 4.220 3.853 2.045 4.103 . 0 0 "[ . 1 . 2]" 1
756 1 74 GLN HG2 1 75 ALA H . . 4.860 4.486 3.659 4.950 0.090 19 0 "[ . 1 . 2]" 1
757 1 74 GLN HG3 1 75 ALA H . . 4.860 4.354 2.055 4.879 0.019 1 0 "[ . 1 . 2]" 1
758 1 75 ALA H 1 75 ALA MB . . 3.170 2.364 2.294 2.413 . 0 0 "[ . 1 . 2]" 1
759 1 75 ALA HA 1 78 THR HB . . 4.020 3.442 3.199 3.650 . 0 0 "[ . 1 . 2]" 1
760 1 75 ALA MB 1 76 VAL H . . 3.520 2.441 2.334 2.635 . 0 0 "[ . 1 . 2]" 1
761 1 76 VAL H 1 76 VAL MG1 . . 3.870 3.068 2.363 3.800 . 0 0 "[ . 1 . 2]" 1
762 1 76 VAL H 1 76 VAL MG2 . . 3.570 1.928 1.764 2.147 . 0 0 "[ . 1 . 2]" 1
763 1 76 VAL H 1 79 LEU H . . 5.260 4.713 4.621 4.896 . 0 0 "[ . 1 . 2]" 1
764 1 76 VAL H 1 79 LEU QD . . 5.500 4.529 4.197 5.399 . 0 0 "[ . 1 . 2]" 1
765 1 76 VAL HA 1 76 VAL MG1 . . 3.640 2.267 2.178 2.387 . 0 0 "[ . 1 . 2]" 1
766 1 76 VAL HA 1 79 LEU H . . 3.990 3.137 2.945 3.408 . 0 0 "[ . 1 . 2]" 1
767 1 76 VAL HA 1 79 LEU HB2 . . 4.860 2.592 2.262 3.466 . 0 0 "[ . 1 . 2]" 1
768 1 76 VAL HA 1 79 LEU QB . . 3.980 2.451 1.996 2.888 . 0 0 "[ . 1 . 2]" 1
769 1 76 VAL HA 1 79 LEU HB3 . . 4.860 4.001 2.018 4.529 . 0 0 "[ . 1 . 2]" 1
770 1 76 VAL HA 1 79 LEU QD . . 3.750 2.514 2.248 3.114 . 0 0 "[ . 1 . 2]" 1
771 1 76 VAL MG1 1 79 LEU QB . . 4.400 3.435 2.967 3.996 . 0 0 "[ . 1 . 2]" 1
772 1 78 THR H 1 78 THR HB . . 3.140 2.632 2.567 2.683 . 0 0 "[ . 1 . 2]" 1
773 1 78 THR H 1 78 THR MG . . 3.930 3.767 3.742 3.799 . 0 0 "[ . 1 . 2]" 1
774 1 78 THR HA 1 78 THR MG . . 3.340 2.303 2.260 2.356 . 0 0 "[ . 1 . 2]" 1
775 1 78 THR HA 1 79 LEU QD . . 5.500 5.510 5.437 5.742 0.242 10 0 "[ . 1 . 2]" 1
776 1 78 THR HB 1 79 LEU H . . 3.400 2.602 2.477 2.772 . 0 0 "[ . 1 . 2]" 1
777 1 78 THR MG 1 79 LEU H . . 4.470 3.732 3.658 3.856 . 0 0 "[ . 1 . 2]" 1
778 1 78 THR MG 1 79 LEU QD . . 3.870 4.135 3.947 4.831 0.961 10 2 "[ - + . 2]" 1
779 1 79 LEU H 1 79 LEU QB . . 3.160 2.408 2.039 2.551 . 0 0 "[ . 1 . 2]" 1
780 1 79 LEU H 1 79 LEU QD . . 3.580 3.289 3.203 3.617 0.037 10 0 "[ . 1 . 2]" 1
781 1 79 LEU H 1 79 LEU HG . . 3.480 2.657 2.374 4.239 0.759 10 2 "[ - + . 2]" 1
782 1 79 LEU HA 1 79 LEU QD . . 3.210 2.106 2.037 2.270 . 0 0 "[ . 1 . 2]" 1
783 1 79 LEU HA 1 79 LEU HG . . 4.270 3.013 2.843 3.747 . 0 0 "[ . 1 . 2]" 1
784 1 79 LEU HA 1 82 THR MG . . 3.760 2.683 2.325 3.749 . 0 0 "[ . 1 . 2]" 1
785 1 81 ASN H 1 81 ASN HB2 . . 3.980 2.635 2.393 3.790 . 0 0 "[ . 1 . 2]" 1
786 1 81 ASN H 1 81 ASN QB . . 3.480 2.456 2.223 2.756 . 0 0 "[ . 1 . 2]" 1
787 1 81 ASN H 1 81 ASN HB3 . . 3.980 3.145 2.639 3.770 . 0 0 "[ . 1 . 2]" 1
788 1 81 ASN H 1 82 THR MG . . 4.490 4.225 3.714 4.660 0.170 3 0 "[ . 1 . 2]" 1
789 1 81 ASN HA 1 82 THR H . . 3.320 2.673 2.292 3.407 0.087 3 0 "[ . 1 . 2]" 1
790 1 81 ASN QB 1 82 THR MG . . 4.410 4.223 3.497 4.501 0.091 15 0 "[ . 1 . 2]" 1
791 1 82 THR H 1 82 THR MG . . 3.890 2.823 1.927 3.526 . 0 0 "[ . 1 . 2]" 1
792 1 82 THR HA 1 82 THR MG . . 3.260 2.291 2.192 3.191 . 0 0 "[ . 1 . 2]" 1
793 1 82 THR HA 1 83 GLY H . . 3.040 2.615 2.404 2.712 . 0 0 "[ . 1 . 2]" 1
794 1 82 THR HB 1 83 GLY H . . 3.980 2.058 1.854 3.522 . 0 0 "[ . 1 . 2]" 1
795 1 82 THR HB 1 86 VAL QG . . 3.170 2.522 2.172 3.000 . 0 0 "[ . 1 . 2]" 1
796 1 82 THR MG 1 83 GLY H . . 4.080 3.371 3.105 3.550 . 0 0 "[ . 1 . 2]" 1
797 1 82 THR MG 1 86 VAL QG . . 3.240 1.884 1.701 2.170 . 0 0 "[ . 1 . 2]" 1
798 1 83 GLY H 1 86 VAL QG . . 4.260 3.811 3.246 4.407 0.147 2 0 "[ . 1 . 2]" 1
799 1 83 GLY HA3 1 84 GLN H . . 3.250 2.210 2.062 2.317 . 0 0 "[ . 1 . 2]" 1
800 1 83 GLY HA3 1 85 VAL H . . 4.220 4.018 3.766 4.246 0.026 3 0 "[ . 1 . 2]" 1
801 1 84 GLN H 1 84 GLN HB2 . . 3.920 2.631 2.489 2.716 . 0 0 "[ . 1 . 2]" 1
802 1 84 GLN H 1 84 GLN QB . . 3.120 2.370 2.291 2.426 . 0 0 "[ . 1 . 2]" 1
803 1 84 GLN H 1 84 GLN HB3 . . 3.920 2.698 2.552 2.843 . 0 0 "[ . 1 . 2]" 1
804 1 84 GLN H 1 84 GLN QG . . 3.940 4.096 4.058 4.119 0.179 20 0 "[ . 1 . 2]" 1
805 1 84 GLN H 1 85 VAL H . . 3.360 2.949 2.885 3.031 . 0 0 "[ . 1 . 2]" 1
806 1 84 GLN HA 1 84 GLN QG . . 3.800 2.480 2.415 2.553 . 0 0 "[ . 1 . 2]" 1
807 1 84 GLN HA 1 85 VAL QG . . 4.580 4.362 4.118 4.568 . 0 0 "[ . 1 . 2]" 1
808 1 84 GLN QB 1 85 VAL H . . 3.370 2.300 2.244 2.375 . 0 0 "[ . 1 . 2]" 1
809 1 84 GLN HB2 1 85 VAL H . . 4.070 3.793 3.724 3.865 . 0 0 "[ . 1 . 2]" 1
810 1 84 GLN HB2 1 85 VAL QG . . 4.490 4.198 3.988 4.492 0.002 3 0 "[ . 1 . 2]" 1
811 1 84 GLN HB3 1 85 VAL H . . 4.070 2.320 2.262 2.400 . 0 0 "[ . 1 . 2]" 1
812 1 84 GLN HB3 1 85 VAL QG . . 4.490 2.759 2.569 3.094 . 0 0 "[ . 1 . 2]" 1
813 1 84 GLN QG 1 85 VAL H . . 4.360 3.496 3.328 3.657 . 0 0 "[ . 1 . 2]" 1
814 1 84 GLN QG 1 85 VAL QG . . 3.550 2.532 2.117 2.879 . 0 0 "[ . 1 . 2]" 1
815 1 85 VAL H 1 85 VAL HB . . 3.080 2.307 2.212 2.399 . 0 0 "[ . 1 . 2]" 1
816 1 85 VAL H 1 85 VAL QG . . 3.320 2.461 2.361 2.580 . 0 0 "[ . 1 . 2]" 1
817 1 85 VAL H 1 86 VAL H . . 4.830 4.508 4.411 4.591 . 0 0 "[ . 1 . 2]" 1
818 1 85 VAL HA 1 85 VAL QG . . 3.160 2.104 2.064 2.130 . 0 0 "[ . 1 . 2]" 1
819 1 85 VAL HA 1 86 VAL H . . 2.890 2.322 2.211 2.428 . 0 0 "[ . 1 . 2]" 1
820 1 85 VAL QG 1 86 VAL H . . 3.350 2.338 2.178 2.459 . 0 0 "[ . 1 . 2]" 1
821 1 85 VAL QG 1 86 VAL HB . . 4.240 4.087 3.963 4.212 . 0 0 "[ . 1 . 2]" 1
822 1 86 VAL H 1 86 VAL HB . . 3.270 2.521 2.436 2.699 . 0 0 "[ . 1 . 2]" 1
823 1 86 VAL H 1 86 VAL QG . . 3.520 2.313 2.150 2.471 . 0 0 "[ . 1 . 2]" 1
824 1 86 VAL HA 1 86 VAL QG . . 3.200 2.132 2.110 2.174 . 0 0 "[ . 1 . 2]" 1
825 1 86 VAL HA 1 87 HIS H . . 2.870 2.266 2.215 2.309 . 0 0 "[ . 1 . 2]" 1
826 1 86 VAL HA 1 87 HIS QB . . 4.330 4.326 4.105 4.588 0.258 17 0 "[ . 1 . 2]" 1
827 1 86 VAL HB 1 87 HIS H . . 4.110 4.094 3.709 4.188 0.078 2 0 "[ . 1 . 2]" 1
828 1 86 VAL HB 1 87 HIS HA . . 4.940 4.526 4.361 4.707 . 0 0 "[ . 1 . 2]" 1
829 1 86 VAL QG 1 87 HIS H . . 3.470 2.588 2.159 2.827 . 0 0 "[ . 1 . 2]" 1
830 1 86 VAL QG 1 87 HIS HA . . 4.400 3.653 3.509 3.794 . 0 0 "[ . 1 . 2]" 1
831 1 86 VAL QG 1 87 HIS QB . . 4.250 4.028 3.711 4.169 . 0 0 "[ . 1 . 2]" 1
832 1 86 VAL QG 1 88 LEU H . . 4.860 3.805 3.613 4.092 . 0 0 "[ . 1 . 2]" 1
833 1 86 VAL QG 1 88 LEU HA . . 4.700 4.045 3.755 4.216 . 0 0 "[ . 1 . 2]" 1
834 1 86 VAL QG 1 88 LEU HG . . 3.420 3.843 2.517 4.592 1.172 15 13 "[*- *** * 1** *+*** 2]" 1
835 1 87 HIS H 1 87 HIS QB . . 3.180 2.440 2.222 2.604 . 0 0 "[ . 1 . 2]" 1
836 1 87 HIS H 1 87 HIS HD2 . . 5.210 4.825 3.304 5.513 0.303 14 0 "[ . 1 . 2]" 1
837 1 87 HIS H 1 88 LEU QD . . 4.400 3.969 3.492 4.110 . 0 0 "[ . 1 . 2]" 1
838 1 87 HIS HA 1 88 LEU H . . 2.740 2.087 1.948 2.194 . 0 0 "[ . 1 . 2]" 1
839 1 87 HIS QB 1 88 LEU H . . 4.120 3.489 2.856 3.829 . 0 0 "[ . 1 . 2]" 1
840 1 88 LEU H 1 88 LEU QB . . 3.750 3.335 3.298 3.421 . 0 0 "[ . 1 . 2]" 1
841 1 88 LEU H 1 88 LEU QD . . 4.070 2.019 1.944 2.148 . 0 0 "[ . 1 . 2]" 1
842 1 88 LEU H 1 88 LEU HG . . 4.200 3.996 3.738 4.345 0.145 13 0 "[ . 1 . 2]" 1
843 1 88 LEU H 1 90 LEU QD . . 4.680 4.139 3.957 4.340 . 0 0 "[ . 1 . 2]" 1
844 1 88 LEU HA 1 88 LEU QD . . 3.470 3.333 3.202 3.391 . 0 0 "[ . 1 . 2]" 1
845 1 88 LEU HA 1 89 LEU H . . 2.900 2.273 2.221 2.363 . 0 0 "[ . 1 . 2]" 1
846 1 88 LEU QB 1 89 LEU H . . 4.670 3.183 3.027 3.495 . 0 0 "[ . 1 . 2]" 1
847 1 88 LEU QD 1 89 LEU H . . 4.490 4.105 3.580 4.282 . 0 0 "[ . 1 . 2]" 1
848 1 88 LEU QD 1 90 LEU QD . . 4.210 2.175 1.736 2.478 . 0 0 "[ . 1 . 2]" 1
849 1 89 LEU H 1 89 LEU HB2 . . 3.620 2.197 2.130 2.299 . 0 0 "[ . 1 . 2]" 1
850 1 89 LEU H 1 89 LEU MD1 . . 4.440 2.561 2.170 3.960 . 0 0 "[ . 1 . 2]" 1
851 1 89 LEU H 1 89 LEU MD2 . . 3.760 3.442 2.031 3.893 0.133 10 0 "[ . 1 . 2]" 1
852 1 89 LEU HA 1 89 LEU MD1 . . 3.020 2.396 2.215 2.484 . 0 0 "[ . 1 . 2]" 1
853 1 89 LEU HA 1 90 LEU H . . 3.180 2.012 1.948 2.130 . 0 0 "[ . 1 . 2]" 1
854 1 89 LEU HA 1 90 LEU QD . . 4.370 2.672 2.506 2.930 . 0 0 "[ . 1 . 2]" 1
855 1 89 LEU HB2 1 89 LEU MD1 . . 3.540 2.768 2.575 3.302 . 0 0 "[ . 1 . 2]" 1
856 1 89 LEU HB2 1 89 LEU MD2 . . 3.150 2.450 2.394 2.545 . 0 0 "[ . 1 . 2]" 1
857 1 89 LEU HB2 1 90 LEU H . . 4.510 4.013 3.883 4.087 . 0 0 "[ . 1 . 2]" 1
858 1 89 LEU HB3 1 90 LEU H . . 4.070 2.891 2.677 3.032 . 0 0 "[ . 1 . 2]" 1
859 1 89 LEU MD1 1 90 LEU H . . 4.050 3.983 3.233 4.193 0.143 16 0 "[ . 1 . 2]" 1
860 1 90 LEU H 1 90 LEU QB . . 3.640 3.018 2.854 3.415 . 0 0 "[ . 1 . 2]" 1
861 1 90 LEU H 1 90 LEU QD . . 4.170 2.012 1.833 2.104 . 0 0 "[ . 1 . 2]" 1
862 1 90 LEU H 1 90 LEU HG . . 4.690 4.169 4.025 4.235 . 0 0 "[ . 1 . 2]" 1
863 1 90 LEU HA 1 90 LEU QD . . 3.810 2.755 2.505 3.324 . 0 0 "[ . 1 . 2]" 1
864 1 90 LEU HA 1 90 LEU HG . . 4.010 4.023 3.930 4.279 0.269 10 0 "[ . 1 . 2]" 1
865 1 90 LEU HA 1 91 GLU H . . 3.110 2.455 2.389 2.501 . 0 0 "[ . 1 . 2]" 1
866 1 90 LEU QB 1 91 GLU H . . 3.870 2.576 2.193 2.741 . 0 0 "[ . 1 . 2]" 1
867 1 90 LEU HB2 1 91 GLU H . . 4.560 3.200 2.220 3.553 . 0 0 "[ . 1 . 2]" 1
868 1 90 LEU HB3 1 91 GLU H . . 4.560 2.924 2.555 3.781 . 0 0 "[ . 1 . 2]" 1
869 1 90 LEU QD 1 91 GLU H . . 4.160 4.026 3.716 4.145 . 0 0 "[ . 1 . 2]" 1
870 1 91 GLU H 1 91 GLU HB2 . . 3.690 3.125 2.895 3.733 0.043 10 0 "[ . 1 . 2]" 1
871 1 91 GLU H 1 91 GLU HB3 . . 3.690 2.621 2.412 3.366 . 0 0 "[ . 1 . 2]" 1
872 1 91 GLU HA 1 91 GLU QG . . 3.520 2.572 2.419 3.407 . 0 0 "[ . 1 . 2]" 1
873 1 91 GLU HA 1 92 LYS H . . 3.110 2.227 2.147 2.297 . 0 0 "[ . 1 . 2]" 1
874 1 91 GLU HA 1 92 LYS QG . . 4.400 4.281 3.804 5.460 1.060 18 2 "[ - 1 . + 2]" 1
875 1 91 GLU QB 1 92 LYS H . . 4.100 3.687 2.702 3.909 . 0 0 "[ . 1 . 2]" 1
876 1 92 LYS H 1 92 LYS QB . . 3.640 2.575 2.001 3.098 . 0 0 "[ . 1 . 2]" 1
877 1 92 LYS H 1 92 LYS QD . . 5.010 3.633 2.635 4.510 . 0 0 "[ . 1 . 2]" 1
878 1 92 LYS H 1 92 LYS QG . . 3.290 2.529 2.188 3.580 0.290 5 0 "[ . 1 . 2]" 1
879 1 92 LYS HA 1 92 LYS QD . . 4.430 2.470 2.028 3.970 . 0 0 "[ . 1 . 2]" 1
880 1 92 LYS HA 1 92 LYS QG . . 3.620 3.006 2.541 3.257 . 0 0 "[ . 1 . 2]" 1
881 1 92 LYS HA 1 93 GLY H . . 3.020 2.243 2.105 3.354 0.334 7 0 "[ . 1 . 2]" 1
882 1 92 LYS HA 1 93 GLY QA . . 5.090 3.815 3.671 4.175 . 0 0 "[ . 1 . 2]" 1
883 1 92 LYS QB 1 92 LYS QE . . 4.120 2.349 2.069 3.608 . 0 0 "[ . 1 . 2]" 1
884 1 92 LYS QB 1 93 GLY H . . 4.620 2.927 2.608 3.713 . 0 0 "[ . 1 . 2]" 1
885 1 92 LYS QD 1 93 GLY H . . 4.740 3.712 1.950 4.645 . 0 0 "[ . 1 . 2]" 1
886 1 92 LYS QE 1 92 LYS HG2 . . 3.740 3.283 2.445 3.650 . 0 0 "[ . 1 . 2]" 1
887 1 92 LYS QE 1 92 LYS QG . . 3.180 2.564 2.305 3.051 . 0 0 "[ . 1 . 2]" 1
888 1 92 LYS QE 1 92 LYS HG3 . . 3.740 2.816 2.498 3.644 . 0 0 "[ . 1 . 2]" 1
889 1 92 LYS QE 1 93 GLY H . . 4.510 3.144 2.331 4.813 0.303 9 0 "[ . 1 . 2]" 1
890 1 92 LYS QG 1 93 GLY H . . 5.210 4.277 2.536 4.703 . 0 0 "[ . 1 . 2]" 1
891 1 93 GLY H 1 94 GLN H . . 4.810 3.167 1.515 4.624 . 0 0 "[ . 1 . 2]" 1
892 1 93 GLY QA 1 94 GLN H . . 3.080 2.599 2.176 3.018 . 0 0 "[ . 1 . 2]" 1
893 1 93 GLY QA 1 94 GLN QB . . 4.590 4.189 3.672 4.683 0.093 2 0 "[ . 1 . 2]" 1
894 1 94 GLN H 1 94 GLN QB . . 3.090 2.681 1.897 3.173 0.083 6 0 "[ . 1 . 2]" 1
895 1 94 GLN H 1 94 GLN QG . . 4.030 3.236 2.004 4.143 0.113 15 0 "[ . 1 . 2]" 1
896 1 94 GLN HA 1 94 GLN QG . . 3.610 2.589 2.362 3.440 . 0 0 "[ . 1 . 2]" 1
897 1 94 GLN QB 1 94 GLN QG . . 2.420 2.127 2.016 2.168 . 0 0 "[ . 1 . 2]" 1
898 1 94 GLN QB 1 95 SER H . . 4.210 2.805 1.850 4.059 . 0 0 "[ . 1 . 2]" 1
899 1 95 SER HA 1 96 PRO HD2 . . 3.280 2.144 1.978 2.349 . 0 0 "[ . 1 . 2]" 1
900 1 95 SER HA 1 96 PRO HD3 . . 3.280 2.395 2.235 2.626 . 0 0 "[ . 1 . 2]" 1
901 1 96 PRO HA 1 97 THR H . . 3.150 2.549 2.127 3.397 0.247 17 0 "[ . 1 . 2]" 1
902 1 96 PRO HA 1 97 THR HA . . 4.710 4.418 4.238 4.658 . 0 0 "[ . 1 . 2]" 1
903 1 96 PRO HA 1 97 THR HB . . 4.840 4.853 4.576 5.232 0.392 17 0 "[ . 1 . 2]" 1
904 1 96 PRO HB2 1 97 THR HA . . 4.900 4.612 4.037 5.461 0.561 16 1 "[ . 1 .+ 2]" 1
905 1 96 PRO HB3 1 97 THR H . . 4.440 4.011 3.394 4.702 0.262 10 0 "[ . 1 . 2]" 1
906 1 97 THR H 1 97 THR HB . . 3.640 2.945 2.453 3.754 0.114 11 0 "[ . 1 . 2]" 1
907 1 97 THR H 1 97 THR MG . . 3.950 3.366 1.841 3.940 . 0 0 "[ . 1 . 2]" 1
908 1 97 THR HA 1 97 THR MG . . 3.290 2.596 2.243 3.284 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 6:39:08 PM GMT (wattos1)