NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561551 |
2lvx   |
18592 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lvx
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 1250
_Distance_constraint_stats_list.Viol_count 2307
_Distance_constraint_stats_list.Viol_total 5657.111
_Distance_constraint_stats_list.Viol_max 1.632
_Distance_constraint_stats_list.Viol_rms 0.0838
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0113
_Distance_constraint_stats_list.Viol_average_violations_only 0.1226
_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 ALA 2.067 0.110 9 0 "[ . 1 . 2]"
1 4 ILE 0.442 0.154 19 0 "[ . 1 . 2]"
1 6 GLY 0.146 0.146 3 0 "[ . 1 . 2]"
1 7 MET 0.689 0.154 19 0 "[ . 1 . 2]"
1 9 THR 15.980 1.438 5 11 "[ ** +* * 1 * *** *-]"
1 10 LYS 6.158 0.215 11 0 "[ . 1 . 2]"
1 11 ARG 3.045 0.136 20 0 "[ . 1 . 2]"
1 12 GLU 2.152 0.128 17 0 "[ . 1 . 2]"
1 13 ILE 2.518 0.152 1 0 "[ . 1 . 2]"
1 14 GLY 4.631 0.408 16 0 "[ . 1 . 2]"
1 15 GLY 0.875 0.072 2 0 "[ . 1 . 2]"
1 16 TYR 9.368 0.408 16 0 "[ . 1 . 2]"
1 17 THR 0.394 0.061 10 0 "[ . 1 . 2]"
1 18 TYR 5.861 0.152 1 0 "[ . 1 . 2]"
1 19 LYS 7.101 0.142 7 0 "[ . 1 . 2]"
1 20 VAL 1.069 0.215 11 0 "[ . 1 . 2]"
1 21 VAL 2.315 0.104 14 0 "[ . 1 . 2]"
1 22 PHE 0.177 0.051 3 0 "[ . 1 . 2]"
1 23 TYR 1.605 0.127 19 0 "[ . 1 . 2]"
1 24 GLU 1.680 0.087 8 0 "[ . 1 . 2]"
1 25 ASN 0.113 0.043 20 0 "[ . 1 . 2]"
1 26 VAL 0.754 0.067 12 0 "[ . 1 . 2]"
1 27 PHE 3.790 0.198 11 0 "[ . 1 . 2]"
1 28 GLN 2.828 0.127 13 0 "[ . 1 . 2]"
1 29 ASP 3.780 0.193 8 0 "[ . 1 . 2]"
1 30 SER 0.531 0.046 17 0 "[ . 1 . 2]"
1 31 ILE 37.374 1.632 15 17 "[** ** ****- **+*****]"
1 32 LEU 23.195 1.599 17 15 "[** ** **** **.*+*-*]"
1 33 LEU 6.930 0.245 16 0 "[ . 1 . 2]"
1 34 GLY 10.966 0.466 3 0 "[ . 1 . 2]"
1 35 ASN 17.335 0.801 20 15 "[***** -1***** ***+]"
1 36 PHE 15.124 0.801 20 14 "[***** -1*** * ***+]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.634 0.101 17 0 "[ . 1 . 2]"
1 39 GLN 4.001 0.155 3 0 "[ . 1 . 2]"
1 40 GLU 0.831 0.162 5 0 "[ . 1 . 2]"
1 41 GLY 0.494 0.148 3 0 "[ . 1 . 2]"
1 42 ASN 9.916 1.555 13 2 "[ . 1 + . - 2]"
1 43 VAL 1.813 0.155 3 0 "[ . 1 . 2]"
1 44 LEU 1.174 0.235 19 0 "[ . 1 . 2]"
1 45 LYS 3.270 0.235 19 0 "[ . 1 . 2]"
1 46 TYR 3.708 0.251 12 0 "[ . 1 . 2]"
1 47 GLU 0.798 0.071 4 0 "[ . 1 . 2]"
1 48 ASN 36.172 1.318 3 20 [**+***********-*****]
1 49 GLY 21.010 1.014 17 20 [***-************+***]
1 50 GLN 69.626 1.632 15 20 [**-***********+*****]
1 51 SER 1.342 0.561 6 2 "[ - .+ 1 . 2]"
1 52 CYS 0.342 0.053 3 0 "[ . 1 . 2]"
1 53 TRP 5.479 0.182 2 0 "[ . 1 . 2]"
1 54 ASN 1.841 0.182 2 0 "[ . 1 . 2]"
1 55 GLY 0.337 0.054 10 0 "[ . 1 . 2]"
1 56 PRO 0.608 0.273 7 0 "[ . 1 . 2]"
1 57 HIS 15.579 1.318 3 12 "[**+ .*- *** **** 2]"
1 58 ARG 7.841 0.292 16 0 "[ . 1 . 2]"
1 59 SER 4.347 0.111 7 0 "[ . 1 . 2]"
1 60 ALA 3.989 0.340 14 0 "[ . 1 . 2]"
1 61 ILE 3.407 0.162 7 0 "[ . 1 . 2]"
1 62 VAL 0.223 0.039 19 0 "[ . 1 . 2]"
1 63 THR 2.419 0.204 16 0 "[ . 1 . 2]"
1 64 VAL 3.417 1.555 13 2 "[ . 1 + . - 2]"
1 65 GLU 0.830 0.110 14 0 "[ . 1 . 2]"
1 66 CYS 5.478 0.176 6 0 "[ . 1 . 2]"
1 67 GLY 1.753 0.102 14 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 6.136 0.719 2 2 "[ +- . 1 . 2]"
1 70 ASN 18.967 1.438 5 11 "[ *- +* * 1 * *** **]"
1 71 GLU 0.550 0.092 10 0 "[ . 1 . 2]"
1 72 ILE 1.890 0.098 2 0 "[ . 1 . 2]"
1 73 VAL 0.207 0.036 2 0 "[ . 1 . 2]"
1 74 SER 2.637 0.138 17 0 "[ . 1 . 2]"
1 75 VAL 0.207 0.044 4 0 "[ . 1 . 2]"
1 76 LEU 0.436 0.073 3 0 "[ . 1 . 2]"
1 77 GLU 0.678 0.112 19 0 "[ . 1 . 2]"
1 78 ALA 1.565 0.099 2 0 "[ . 1 . 2]"
1 79 GLN 19.569 1.093 15 20 [*******-******+*****]
1 80 LYS 3.278 0.137 10 0 "[ . 1 . 2]"
1 81 CYS 4.271 0.152 6 0 "[ . 1 . 2]"
1 82 GLU 7.816 0.976 7 3 "[ * . +- 1 . 2]"
1 83 TYR 5.846 0.137 1 0 "[ . 1 . 2]"
1 84 LEU 1.100 0.073 3 0 "[ . 1 . 2]"
1 85 ILE 0.780 0.045 3 0 "[ . 1 . 2]"
1 86 LYS 1.910 0.174 13 0 "[ . 1 . 2]"
1 87 MET 1.964 0.113 4 0 "[ . 1 . 2]"
1 88 LYS 10.024 0.279 4 0 "[ . 1 . 2]"
1 89 SER 6.665 0.279 4 0 "[ . 1 . 2]"
1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.157 0.038 2 0 "[ . 1 . 2]"
1 92 ALA 9.394 0.332 11 0 "[ . 1 . 2]"
1 93 CYS 1.934 0.094 20 0 "[ . 1 . 2]"
1 94 SER 0.216 0.037 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ALA HA 1 92 ALA H . . 4.740 4.736 4.549 4.815 0.075 11 0 "[ . 1 . 2]" 1
2 1 3 ALA MB 1 64 VAL H . . 5.190 5.199 5.027 5.289 0.099 13 0 "[ . 1 . 2]" 1
3 1 3 ALA MB 1 64 VAL HB . . 4.540 3.372 3.096 4.049 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA MB 1 89 SER QB . . 3.690 3.685 2.986 3.800 0.110 9 0 "[ . 1 . 2]" 1
5 1 4 ILE HB 1 7 MET H . . 5.330 5.081 4.155 5.484 0.154 19 0 "[ . 1 . 2]" 1
6 1 4 ILE HG12 1 7 MET ME . . 4.470 3.751 1.962 4.530 0.060 1 0 "[ . 1 . 2]" 1
7 1 6 GLY H 1 7 MET H . . 3.800 3.012 2.642 3.946 0.146 3 0 "[ . 1 . 2]" 1
8 1 6 GLY H 1 22 PHE H . . 5.500 3.558 3.020 4.271 . 0 0 "[ . 1 . 2]" 1
9 1 6 GLY H 1 22 PHE HB2 . . 5.500 2.277 1.661 2.876 . 0 0 "[ . 1 . 2]" 1
10 1 6 GLY H 1 22 PHE HB3 . . 5.230 3.468 2.750 4.118 . 0 0 "[ . 1 . 2]" 1
11 1 6 GLY H 1 23 TYR QD . . 5.500 3.798 2.705 5.144 . 0 0 "[ . 1 . 2]" 1
12 1 7 MET H 1 22 PHE H . . 5.130 4.108 2.884 5.128 . 0 0 "[ . 1 . 2]" 1
13 1 7 MET H 1 22 PHE HB2 . . 4.570 3.574 2.402 4.621 0.051 3 0 "[ . 1 . 2]" 1
14 1 7 MET H 1 22 PHE QD . . 5.060 3.440 2.078 4.722 . 0 0 "[ . 1 . 2]" 1
15 1 7 MET ME 1 22 PHE QD . . 5.190 4.296 2.973 5.199 0.009 19 0 "[ . 1 . 2]" 1
16 1 9 THR H 1 9 THR HB . . 3.850 2.565 2.427 2.778 . 0 0 "[ . 1 . 2]" 1
17 1 9 THR H 1 10 LYS HA . . 5.260 4.859 4.620 5.076 . 0 0 "[ . 1 . 2]" 1
18 1 9 THR H 1 10 LYS QB . . 5.070 4.822 4.313 5.261 0.191 4 0 "[ . 1 . 2]" 1
19 1 9 THR H 1 19 LYS HA . . 5.420 4.471 4.004 4.789 . 0 0 "[ . 1 . 2]" 1
20 1 9 THR H 1 19 LYS QE . . 5.500 5.457 5.037 5.626 0.126 4 0 "[ . 1 . 2]" 1
21 1 9 THR H 1 19 LYS HG2 . . 5.030 4.211 3.863 4.998 . 0 0 "[ . 1 . 2]" 1
22 1 9 THR H 1 20 VAL H . . 3.780 2.976 2.646 3.209 . 0 0 "[ . 1 . 2]" 1
23 1 9 THR H 1 20 VAL HB . . 5.500 5.215 4.916 5.441 . 0 0 "[ . 1 . 2]" 1
24 1 9 THR H 1 21 VAL HA . . 4.400 3.460 3.010 3.852 . 0 0 "[ . 1 . 2]" 1
25 1 9 THR H 1 22 PHE QE . . 5.500 3.978 3.619 4.469 . 0 0 "[ . 1 . 2]" 1
26 1 9 THR H 1 87 MET ME . . 5.250 4.818 4.409 5.102 . 0 0 "[ . 1 . 2]" 1
27 1 9 THR HA 1 10 LYS H . . 2.970 2.190 2.119 2.321 . 0 0 "[ . 1 . 2]" 1
28 1 9 THR HA 1 10 LYS HA . . 4.740 4.374 4.314 4.451 . 0 0 "[ . 1 . 2]" 1
29 1 9 THR HA 1 10 LYS QB . . 5.180 4.293 4.183 4.413 . 0 0 "[ . 1 . 2]" 1
30 1 9 THR HA 1 10 LYS QD . . 5.500 4.677 2.888 5.634 0.134 16 0 "[ . 1 . 2]" 1
31 1 9 THR HA 1 10 LYS QG . . 5.270 3.842 3.485 4.859 . 0 0 "[ . 1 . 2]" 1
32 1 9 THR HA 1 87 MET ME . . 5.460 4.944 4.599 5.330 . 0 0 "[ . 1 . 2]" 1
33 1 9 THR HB 1 10 LYS H . . 4.630 4.170 4.056 4.334 . 0 0 "[ . 1 . 2]" 1
34 1 9 THR HB 1 20 VAL H . . 4.620 3.394 3.042 3.610 . 0 0 "[ . 1 . 2]" 1
35 1 9 THR HB 1 20 VAL HB . . 5.240 4.448 4.240 4.652 . 0 0 "[ . 1 . 2]" 1
36 1 9 THR HB 1 70 ASN HD21 . . 5.500 6.161 5.142 6.938 1.438 5 11 "[ ** +* * 1 * *** *-]" 1
37 1 9 THR HB 1 87 MET ME . . 3.910 2.781 2.303 3.121 . 0 0 "[ . 1 . 2]" 1
38 1 10 LYS H 1 10 LYS QD . . 5.190 3.756 1.967 4.445 . 0 0 "[ . 1 . 2]" 1
39 1 10 LYS H 1 10 LYS QE . . 5.500 4.657 3.647 5.189 . 0 0 "[ . 1 . 2]" 1
40 1 10 LYS H 1 10 LYS QG . . 3.920 2.650 2.065 3.107 . 0 0 "[ . 1 . 2]" 1
41 1 10 LYS H 1 11 ARG HB2 . . 4.920 4.309 4.098 4.586 . 0 0 "[ . 1 . 2]" 1
42 1 10 LYS H 1 20 VAL H . . 4.850 4.836 4.731 4.911 0.061 13 0 "[ . 1 . 2]" 1
43 1 10 LYS H 1 71 GLU HA . . 5.500 5.388 4.911 5.592 0.092 10 0 "[ . 1 . 2]" 1
44 1 10 LYS H 1 72 ILE HG12 . . 5.500 4.527 4.309 4.706 . 0 0 "[ . 1 . 2]" 1
45 1 10 LYS HA 1 10 LYS QD . . 4.150 4.139 3.608 4.324 0.174 14 0 "[ . 1 . 2]" 1
46 1 10 LYS HA 1 10 LYS QE . . 5.500 4.131 3.903 4.351 . 0 0 "[ . 1 . 2]" 1
47 1 10 LYS HA 1 11 ARG H . . 2.860 2.216 2.144 2.313 . 0 0 "[ . 1 . 2]" 1
48 1 10 LYS HA 1 18 TYR H . . 4.860 4.520 4.344 4.731 . 0 0 "[ . 1 . 2]" 1
49 1 10 LYS HA 1 19 LYS H . . 4.740 4.615 4.547 4.695 . 0 0 "[ . 1 . 2]" 1
50 1 10 LYS HA 1 19 LYS HA . . 3.780 2.311 2.161 2.543 . 0 0 "[ . 1 . 2]" 1
51 1 10 LYS HA 1 20 VAL H . . 4.140 3.471 3.241 3.667 . 0 0 "[ . 1 . 2]" 1
52 1 10 LYS QB 1 10 LYS QD . . 2.450 2.279 2.120 2.538 0.088 17 0 "[ . 1 . 2]" 1
53 1 10 LYS QB 1 10 LYS QE . . 3.350 2.037 1.892 2.110 . 0 0 "[ . 1 . 2]" 1
54 1 10 LYS QB 1 11 ARG H . . 3.300 2.772 2.565 2.852 . 0 0 "[ . 1 . 2]" 1
55 1 10 LYS QB 1 18 TYR H . . 4.490 4.474 4.275 4.566 0.076 4 0 "[ . 1 . 2]" 1
56 1 10 LYS QB 1 19 LYS HA . . 4.620 2.934 2.528 3.735 . 0 0 "[ . 1 . 2]" 1
57 1 10 LYS QB 1 19 LYS HG3 . . 4.500 2.729 1.857 4.318 . 0 0 "[ . 1 . 2]" 1
58 1 10 LYS QE 1 10 LYS QG . . 3.490 2.431 2.251 2.804 . 0 0 "[ . 1 . 2]" 1
59 1 10 LYS QE 1 19 LYS HB2 . . 4.470 3.294 2.243 4.545 0.075 11 0 "[ . 1 . 2]" 1
60 1 10 LYS QE 1 19 LYS HG2 . . 4.760 4.396 3.515 4.835 0.075 19 0 "[ . 1 . 2]" 1
61 1 10 LYS QG 1 11 ARG H . . 4.050 3.910 3.596 4.060 0.010 15 0 "[ . 1 . 2]" 1
62 1 10 LYS QG 1 11 ARG HA . . 5.500 4.474 3.587 5.636 0.136 20 0 "[ . 1 . 2]" 1
63 1 10 LYS QG 1 19 LYS HA . . 4.700 3.865 1.982 4.705 0.005 9 0 "[ . 1 . 2]" 1
64 1 10 LYS QG 1 20 VAL H . . 5.490 4.873 3.237 5.705 0.215 11 0 "[ . 1 . 2]" 1
65 1 11 ARG H 1 11 ARG HB3 . . 3.980 2.961 2.859 3.046 . 0 0 "[ . 1 . 2]" 1
66 1 11 ARG H 1 11 ARG HD2 . . 5.200 4.988 4.677 5.212 0.012 2 0 "[ . 1 . 2]" 1
67 1 11 ARG H 1 18 TYR H . . 3.600 2.814 2.651 3.012 . 0 0 "[ . 1 . 2]" 1
68 1 11 ARG H 1 18 TYR HB2 . . 5.030 3.735 3.593 3.897 . 0 0 "[ . 1 . 2]" 1
69 1 11 ARG H 1 18 TYR HB3 . . 4.560 3.811 3.615 3.988 . 0 0 "[ . 1 . 2]" 1
70 1 11 ARG H 1 19 LYS HA . . 4.720 3.900 3.682 4.093 . 0 0 "[ . 1 . 2]" 1
71 1 11 ARG HA 1 11 ARG HD2 . . 4.810 4.285 4.091 4.677 . 0 0 "[ . 1 . 2]" 1
72 1 11 ARG HA 1 11 ARG HD3 . . 5.410 3.502 3.295 3.934 . 0 0 "[ . 1 . 2]" 1
73 1 11 ARG HA 1 11 ARG HG2 . . 3.950 2.552 2.456 2.669 . 0 0 "[ . 1 . 2]" 1
74 1 11 ARG HA 1 12 GLU H . . 2.880 2.214 2.152 2.293 . 0 0 "[ . 1 . 2]" 1
75 1 11 ARG HA 1 12 GLU QB . . 5.020 4.484 4.408 4.559 . 0 0 "[ . 1 . 2]" 1
76 1 11 ARG HA 1 18 TYR H . . 5.240 4.656 4.522 4.747 . 0 0 "[ . 1 . 2]" 1
77 1 11 ARG HA 1 72 ILE HG12 . . 5.500 5.031 4.809 5.241 . 0 0 "[ . 1 . 2]" 1
78 1 11 ARG HB2 1 11 ARG HD2 . . 4.080 3.556 3.392 3.651 . 0 0 "[ . 1 . 2]" 1
79 1 11 ARG HB3 1 11 ARG HD3 . . 4.220 3.048 2.517 3.289 . 0 0 "[ . 1 . 2]" 1
80 1 11 ARG HB3 1 12 GLU H . . 4.930 4.032 3.915 4.206 . 0 0 "[ . 1 . 2]" 1
81 1 11 ARG HB3 1 13 ILE HG12 . . 5.160 4.146 3.978 4.420 . 0 0 "[ . 1 . 2]" 1
82 1 11 ARG HB3 1 18 TYR H . . 5.330 4.289 4.041 4.669 . 0 0 "[ . 1 . 2]" 1
83 1 11 ARG HB3 1 18 TYR HB2 . . 5.500 4.029 3.704 4.577 . 0 0 "[ . 1 . 2]" 1
84 1 11 ARG HB3 1 71 GLU HA . . 5.500 5.330 4.962 5.521 0.021 11 0 "[ . 1 . 2]" 1
85 1 11 ARG HB3 1 72 ILE H . . 4.450 3.433 3.165 3.709 . 0 0 "[ . 1 . 2]" 1
86 1 11 ARG HB3 1 72 ILE HB . . 4.280 2.102 1.928 2.492 . 0 0 "[ . 1 . 2]" 1
87 1 11 ARG HD2 1 12 GLU H . . 4.830 4.166 3.848 4.833 0.003 2 0 "[ . 1 . 2]" 1
88 1 11 ARG HD2 1 13 ILE HG12 . . 5.230 2.317 2.119 2.943 . 0 0 "[ . 1 . 2]" 1
89 1 11 ARG HD2 1 72 ILE H . . 4.520 4.463 3.635 4.600 0.080 13 0 "[ . 1 . 2]" 1
90 1 11 ARG HD2 1 72 ILE HB . . 5.000 2.678 2.249 2.893 . 0 0 "[ . 1 . 2]" 1
91 1 11 ARG HD3 1 12 GLU H . . 5.030 2.694 2.388 3.499 . 0 0 "[ . 1 . 2]" 1
92 1 11 ARG HD3 1 12 GLU QB . . 4.630 3.951 3.748 4.505 . 0 0 "[ . 1 . 2]" 1
93 1 11 ARG HD3 1 13 ILE HG12 . . 4.700 2.808 2.180 3.110 . 0 0 "[ . 1 . 2]" 1
94 1 11 ARG HD3 1 72 ILE HB . . 4.990 4.159 3.431 4.415 . 0 0 "[ . 1 . 2]" 1
95 1 11 ARG HG2 1 12 GLU H . . 3.520 2.999 2.326 3.204 . 0 0 "[ . 1 . 2]" 1
96 1 11 ARG HG2 1 13 ILE HG12 . . 5.050 4.880 4.509 5.062 0.012 14 0 "[ . 1 . 2]" 1
97 1 11 ARG HG3 1 12 GLU H . . 4.440 4.493 4.056 4.568 0.128 17 0 "[ . 1 . 2]" 1
98 1 11 ARG HG3 1 72 ILE H . . 4.210 3.143 2.616 4.016 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLU H 1 12 GLU QB . . 3.260 2.475 2.430 2.552 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLU H 1 12 GLU HG2 . . 4.790 3.881 3.471 4.120 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLU H 1 12 GLU QG . . 3.910 3.025 2.242 3.564 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLU H 1 12 GLU HG3 . . 4.790 3.222 2.271 3.920 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLU H 1 17 THR HA . . 4.360 4.124 3.927 4.347 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLU HA 1 13 ILE H . . 2.820 2.145 2.108 2.201 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLU HA 1 13 ILE HA . . 5.500 4.349 4.318 4.394 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLU HA 1 13 ILE HB . . 5.500 4.539 4.459 4.647 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLU HA 1 16 TYR H . . 4.570 4.485 4.180 4.599 0.029 12 0 "[ . 1 . 2]" 1
108 1 12 GLU HA 1 17 THR H . . 4.650 4.175 3.958 4.344 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLU HA 1 17 THR HA . . 3.580 1.957 1.884 2.021 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLU HA 1 18 TYR H . . 3.690 2.957 2.668 3.145 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLU QB 1 15 GLY H . . 4.380 3.367 3.078 3.676 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLU QB 1 15 GLY HA2 . . 5.340 3.624 3.270 3.933 . 0 0 "[ . 1 . 2]" 1
113 1 12 GLU QB 1 16 TYR H . . 4.230 4.239 3.971 4.299 0.069 13 0 "[ . 1 . 2]" 1
114 1 12 GLU QB 1 17 THR H . . 5.340 4.876 4.617 5.121 . 0 0 "[ . 1 . 2]" 1
115 1 12 GLU QB 1 17 THR HA . . 3.990 3.710 3.463 3.942 . 0 0 "[ . 1 . 2]" 1
116 1 12 GLU QG 1 13 ILE H . . 4.280 4.126 4.041 4.282 0.002 1 0 "[ . 1 . 2]" 1
117 1 12 GLU QG 1 17 THR HA . . 3.850 2.694 2.278 3.032 . 0 0 "[ . 1 . 2]" 1
118 1 13 ILE H 1 13 ILE HB . . 3.430 2.733 2.672 2.803 . 0 0 "[ . 1 . 2]" 1
119 1 13 ILE H 1 13 ILE HG12 . . 5.500 3.918 3.858 3.969 . 0 0 "[ . 1 . 2]" 1
120 1 13 ILE H 1 15 GLY H . . 4.410 3.288 3.151 3.348 . 0 0 "[ . 1 . 2]" 1
121 1 13 ILE H 1 15 GLY HA2 . . 5.370 5.009 4.891 5.108 . 0 0 "[ . 1 . 2]" 1
122 1 13 ILE H 1 16 TYR H . . 3.620 3.092 2.880 3.170 . 0 0 "[ . 1 . 2]" 1
123 1 13 ILE H 1 16 TYR HA . . 5.110 4.558 4.461 4.630 . 0 0 "[ . 1 . 2]" 1
124 1 13 ILE H 1 16 TYR QD . . 5.140 3.616 3.485 3.764 . 0 0 "[ . 1 . 2]" 1
125 1 13 ILE H 1 16 TYR QE . . 4.640 4.376 4.270 4.475 . 0 0 "[ . 1 . 2]" 1
126 1 13 ILE H 1 17 THR HA . . 3.590 3.396 3.284 3.491 . 0 0 "[ . 1 . 2]" 1
127 1 13 ILE H 1 18 TYR H . . 4.230 3.680 3.545 3.801 . 0 0 "[ . 1 . 2]" 1
128 1 13 ILE H 1 18 TYR HB2 . . 5.400 4.306 4.103 4.542 . 0 0 "[ . 1 . 2]" 1
129 1 13 ILE H 1 18 TYR QD . . 3.950 4.075 4.044 4.102 0.152 1 0 "[ . 1 . 2]" 1
130 1 13 ILE HA 1 13 ILE HG12 . . 4.140 2.653 2.593 2.696 . 0 0 "[ . 1 . 2]" 1
131 1 13 ILE HA 1 14 GLY HA2 . . 5.500 4.419 4.378 4.453 . 0 0 "[ . 1 . 2]" 1
132 1 13 ILE HA 1 14 GLY HA3 . . 5.500 4.411 4.373 4.455 . 0 0 "[ . 1 . 2]" 1
133 1 13 ILE HA 1 15 GLY H . . 4.830 3.496 3.391 3.566 . 0 0 "[ . 1 . 2]" 1
134 1 13 ILE HA 1 16 TYR H . . 4.920 4.814 4.647 4.881 . 0 0 "[ . 1 . 2]" 1
135 1 13 ILE HB 1 16 TYR QD . . 4.720 3.647 3.465 4.005 . 0 0 "[ . 1 . 2]" 1
136 1 13 ILE HB 1 16 TYR QE . . 4.300 2.785 2.527 3.142 . 0 0 "[ . 1 . 2]" 1
137 1 13 ILE HB 1 18 TYR H . . 4.720 4.600 4.482 4.731 0.011 18 0 "[ . 1 . 2]" 1
138 1 13 ILE HB 1 18 TYR QD . . 3.620 2.589 2.494 2.761 . 0 0 "[ . 1 . 2]" 1
139 1 14 GLY H 1 15 GLY H . . 5.070 2.667 2.603 2.770 . 0 0 "[ . 1 . 2]" 1
140 1 14 GLY HA2 1 16 TYR QE . . 4.730 4.939 4.697 5.138 0.408 16 0 "[ . 1 . 2]" 1
141 1 14 GLY HA3 1 16 TYR H . . 4.320 3.699 3.628 3.745 . 0 0 "[ . 1 . 2]" 1
142 1 14 GLY HA3 1 16 TYR QD . . 4.130 4.132 3.969 4.198 0.068 5 0 "[ . 1 . 2]" 1
143 1 15 GLY H 1 16 TYR H . . 3.470 2.529 2.399 2.628 . 0 0 "[ . 1 . 2]" 1
144 1 15 GLY H 1 16 TYR HB3 . . 5.500 5.544 5.504 5.572 0.072 2 0 "[ . 1 . 2]" 1
145 1 15 GLY H 1 16 TYR QD . . 4.880 4.772 4.707 4.852 . 0 0 "[ . 1 . 2]" 1
146 1 15 GLY HA3 1 16 TYR QD . . 4.880 4.307 4.111 4.531 . 0 0 "[ . 1 . 2]" 1
147 1 16 TYR H 1 16 TYR HB2 . . 4.020 3.644 3.607 3.694 . 0 0 "[ . 1 . 2]" 1
148 1 16 TYR H 1 16 TYR HB3 . . 3.460 3.083 3.003 3.214 . 0 0 "[ . 1 . 2]" 1
149 1 16 TYR H 1 16 TYR QD . . 3.600 2.908 2.793 3.039 . 0 0 "[ . 1 . 2]" 1
150 1 16 TYR H 1 16 TYR QE . . 4.500 4.077 4.000 4.163 . 0 0 "[ . 1 . 2]" 1
151 1 16 TYR H 1 17 THR H . . 4.640 4.439 4.366 4.502 . 0 0 "[ . 1 . 2]" 1
152 1 16 TYR H 1 17 THR HA . . 5.160 5.039 4.942 5.145 . 0 0 "[ . 1 . 2]" 1
153 1 16 TYR H 1 28 GLN HG2 . . 5.500 5.563 5.476 5.627 0.127 13 0 "[ . 1 . 2]" 1
154 1 16 TYR HA 1 16 TYR QD . . 4.210 3.736 3.722 3.759 . 0 0 "[ . 1 . 2]" 1
155 1 16 TYR HA 1 17 THR H . . 3.130 2.180 2.116 2.239 . 0 0 "[ . 1 . 2]" 1
156 1 16 TYR HA 1 17 THR HB . . 5.430 4.631 4.492 4.741 . 0 0 "[ . 1 . 2]" 1
157 1 16 TYR HA 1 28 GLN HG2 . . 5.500 4.926 4.719 5.118 . 0 0 "[ . 1 . 2]" 1
158 1 16 TYR HA 1 29 ASP H . . 5.210 4.885 4.670 5.238 0.028 13 0 "[ . 1 . 2]" 1
159 1 16 TYR HA 1 29 ASP HA . . 5.500 4.174 3.864 4.813 . 0 0 "[ . 1 . 2]" 1
160 1 16 TYR HB2 1 17 THR H . . 3.760 2.989 2.855 3.113 . 0 0 "[ . 1 . 2]" 1
161 1 16 TYR HB2 1 28 GLN HG2 . . 4.620 2.385 2.184 2.587 . 0 0 "[ . 1 . 2]" 1
162 1 16 TYR HB2 1 28 GLN HG3 . . 4.720 3.315 3.180 3.549 . 0 0 "[ . 1 . 2]" 1
163 1 16 TYR HB2 1 29 ASP H . . 4.750 3.512 3.224 3.767 . 0 0 "[ . 1 . 2]" 1
164 1 16 TYR HB3 1 17 THR H . . 4.080 3.912 3.861 3.983 . 0 0 "[ . 1 . 2]" 1
165 1 16 TYR HB3 1 28 GLN HG2 . . 5.020 3.528 3.324 3.709 . 0 0 "[ . 1 . 2]" 1
166 1 16 TYR HB3 1 28 GLN HG3 . . 4.990 4.578 4.381 4.810 . 0 0 "[ . 1 . 2]" 1
167 1 16 TYR QD 1 17 THR H . . 4.300 4.079 3.880 4.280 . 0 0 "[ . 1 . 2]" 1
168 1 16 TYR QD 1 18 TYR HB2 . . 4.820 4.083 3.882 4.285 . 0 0 "[ . 1 . 2]" 1
169 1 16 TYR QD 1 18 TYR QD . . 4.020 2.777 2.436 3.183 . 0 0 "[ . 1 . 2]" 1
170 1 16 TYR QD 1 28 GLN HA . . 4.080 3.716 3.579 3.956 . 0 0 "[ . 1 . 2]" 1
171 1 16 TYR QD 1 28 GLN HG2 . . 3.570 2.977 2.759 3.133 . 0 0 "[ . 1 . 2]" 1
172 1 16 TYR QD 1 28 GLN HG3 . . 3.910 2.390 2.262 2.548 . 0 0 "[ . 1 . 2]" 1
173 1 16 TYR QD 1 29 ASP H . . 5.390 4.155 3.917 4.371 . 0 0 "[ . 1 . 2]" 1
174 1 16 TYR QD 1 29 ASP HB2 . . 4.410 4.384 4.234 4.468 0.058 13 0 "[ . 1 . 2]" 1
175 1 16 TYR QE 1 18 TYR HB3 . . 5.500 5.519 5.399 5.564 0.064 8 0 "[ . 1 . 2]" 1
176 1 16 TYR QE 1 18 TYR QD . . 2.810 2.090 2.012 2.216 . 0 0 "[ . 1 . 2]" 1
177 1 16 TYR QE 1 28 GLN HG2 . . 4.200 4.253 4.159 4.310 0.110 8 0 "[ . 1 . 2]" 1
178 1 16 TYR QE 1 28 GLN HG3 . . 5.500 3.099 2.863 3.212 . 0 0 "[ . 1 . 2]" 1
179 1 17 THR H 1 17 THR HB . . 3.170 2.483 2.412 2.542 . 0 0 "[ . 1 . 2]" 1
180 1 17 THR H 1 28 GLN HG2 . . 4.920 4.923 4.796 4.981 0.061 10 0 "[ . 1 . 2]" 1
181 1 17 THR H 1 29 ASP H . . 3.840 3.362 3.193 3.618 . 0 0 "[ . 1 . 2]" 1
182 1 17 THR H 1 29 ASP HA . . 5.500 2.684 2.374 3.112 . 0 0 "[ . 1 . 2]" 1
183 1 17 THR H 1 29 ASP HB2 . . 5.420 3.360 2.960 3.692 . 0 0 "[ . 1 . 2]" 1
184 1 17 THR HA 1 18 TYR H . . 2.980 2.158 2.109 2.226 . 0 0 "[ . 1 . 2]" 1
185 1 17 THR HA 1 18 TYR HA . . 4.510 4.338 4.284 4.364 . 0 0 "[ . 1 . 2]" 1
186 1 17 THR HA 1 18 TYR QD . . 5.500 5.054 4.872 5.176 . 0 0 "[ . 1 . 2]" 1
187 1 17 THR HB 1 18 TYR H . . 4.600 4.292 4.200 4.387 . 0 0 "[ . 1 . 2]" 1
188 1 17 THR HB 1 29 ASP H . . 5.000 3.345 2.971 3.739 . 0 0 "[ . 1 . 2]" 1
189 1 18 TYR H 1 18 TYR HB2 . . 3.680 2.164 2.084 2.258 . 0 0 "[ . 1 . 2]" 1
190 1 18 TYR H 1 18 TYR HB3 . . 3.910 3.260 3.142 3.359 . 0 0 "[ . 1 . 2]" 1
191 1 18 TYR H 1 18 TYR QD . . 3.660 3.622 3.562 3.670 0.010 2 0 "[ . 1 . 2]" 1
192 1 18 TYR HA 1 18 TYR QD . . 3.950 2.714 2.603 2.859 . 0 0 "[ . 1 . 2]" 1
193 1 18 TYR HA 1 19 LYS H . . 2.930 2.133 2.039 2.198 . 0 0 "[ . 1 . 2]" 1
194 1 18 TYR HA 1 28 GLN HA . . 4.150 2.533 2.333 2.688 . 0 0 "[ . 1 . 2]" 1
195 1 18 TYR HA 1 28 GLN HB2 . . 4.670 4.314 4.013 4.607 . 0 0 "[ . 1 . 2]" 1
196 1 18 TYR HA 1 28 GLN HG3 . . 4.650 4.062 3.640 4.313 . 0 0 "[ . 1 . 2]" 1
197 1 18 TYR HA 1 29 ASP H . . 4.190 3.346 3.162 3.489 . 0 0 "[ . 1 . 2]" 1
198 1 18 TYR HB2 1 19 LYS H . . 4.510 4.349 4.274 4.436 . 0 0 "[ . 1 . 2]" 1
199 1 18 TYR HB3 1 19 LYS H . . 4.010 3.389 3.243 3.568 . 0 0 "[ . 1 . 2]" 1
200 1 18 TYR HB3 1 20 VAL H . . 5.360 5.096 4.943 5.193 . 0 0 "[ . 1 . 2]" 1
201 1 18 TYR QD 1 19 LYS H . . 4.420 2.676 2.575 2.888 . 0 0 "[ . 1 . 2]" 1
202 1 18 TYR QD 1 27 PHE H . . 4.140 3.916 3.717 4.145 0.005 11 0 "[ . 1 . 2]" 1
203 1 18 TYR QD 1 28 GLN HG3 . . 3.980 3.618 3.254 3.928 . 0 0 "[ . 1 . 2]" 1
204 1 18 TYR QD 1 29 ASP H . . 5.300 5.130 4.941 5.274 . 0 0 "[ . 1 . 2]" 1
205 1 18 TYR QE 1 19 LYS H . . 4.380 4.489 4.461 4.522 0.142 7 0 "[ . 1 . 2]" 1
206 1 18 TYR QE 1 27 PHE H . . 4.760 4.723 4.590 4.784 0.024 12 0 "[ . 1 . 2]" 1
207 1 19 LYS H 1 19 LYS HB2 . . 3.700 3.110 3.025 3.199 . 0 0 "[ . 1 . 2]" 1
208 1 19 LYS H 1 19 LYS HB3 . . 3.910 2.774 2.536 2.922 . 0 0 "[ . 1 . 2]" 1
209 1 19 LYS H 1 20 VAL H . . 4.410 4.195 4.121 4.253 . 0 0 "[ . 1 . 2]" 1
210 1 19 LYS H 1 27 PHE H . . 3.680 2.777 2.647 2.951 . 0 0 "[ . 1 . 2]" 1
211 1 19 LYS H 1 27 PHE HB2 . . 4.210 3.685 3.448 3.859 . 0 0 "[ . 1 . 2]" 1
212 1 19 LYS H 1 28 GLN HA . . 4.210 3.601 3.487 3.765 . 0 0 "[ . 1 . 2]" 1
213 1 19 LYS H 1 29 ASP H . . 4.930 4.342 4.076 4.602 . 0 0 "[ . 1 . 2]" 1
214 1 19 LYS HA 1 19 LYS QE . . 5.500 4.501 4.328 4.905 . 0 0 "[ . 1 . 2]" 1
215 1 19 LYS HA 1 20 VAL H . . 3.040 2.096 2.039 2.175 . 0 0 "[ . 1 . 2]" 1
216 1 19 LYS HA 1 20 VAL HA . . 5.500 4.328 4.293 4.366 . 0 0 "[ . 1 . 2]" 1
217 1 19 LYS HA 1 20 VAL HB . . 5.480 4.633 4.498 4.717 . 0 0 "[ . 1 . 2]" 1
218 1 19 LYS HB2 1 19 LYS QD . . 3.890 2.402 2.315 2.489 . 0 0 "[ . 1 . 2]" 1
219 1 19 LYS HB2 1 19 LYS QE . . 4.230 3.399 3.092 4.183 . 0 0 "[ . 1 . 2]" 1
220 1 19 LYS HB2 1 20 VAL H . . 4.600 4.260 4.136 4.368 . 0 0 "[ . 1 . 2]" 1
221 1 19 LYS HB2 1 27 PHE H . . 4.580 4.346 4.127 4.586 0.006 11 0 "[ . 1 . 2]" 1
222 1 19 LYS HB2 1 27 PHE HB2 . . 4.330 3.456 3.215 3.650 . 0 0 "[ . 1 . 2]" 1
223 1 19 LYS HB2 1 27 PHE HB3 . . 4.650 4.686 4.632 4.756 0.106 11 0 "[ . 1 . 2]" 1
224 1 19 LYS HB2 1 27 PHE QD . . 5.500 4.806 4.403 5.126 . 0 0 "[ . 1 . 2]" 1
225 1 19 LYS HB3 1 19 LYS QD . . 2.650 2.571 2.138 2.734 0.084 2 0 "[ . 1 . 2]" 1
226 1 19 LYS HB3 1 19 LYS QE . . 3.680 2.564 1.945 3.796 0.116 5 0 "[ . 1 . 2]" 1
227 1 19 LYS HB3 1 20 VAL H . . 5.130 4.083 3.932 4.261 . 0 0 "[ . 1 . 2]" 1
228 1 19 LYS HB3 1 27 PHE H . . 5.120 2.835 2.472 3.114 . 0 0 "[ . 1 . 2]" 1
229 1 19 LYS HB3 1 27 PHE HB2 . . 4.810 2.160 1.953 2.343 . 0 0 "[ . 1 . 2]" 1
230 1 19 LYS HB3 1 27 PHE HB3 . . 4.960 3.746 3.520 3.897 . 0 0 "[ . 1 . 2]" 1
231 1 19 LYS HB3 1 27 PHE QD . . 4.270 3.271 2.872 3.616 . 0 0 "[ . 1 . 2]" 1
232 1 19 LYS QD 1 27 PHE QD . . 4.400 3.778 2.156 4.485 0.085 12 0 "[ . 1 . 2]" 1
233 1 19 LYS QE 1 20 VAL H . . 5.260 4.722 4.497 5.017 . 0 0 "[ . 1 . 2]" 1
234 1 19 LYS QE 1 21 VAL HB . . 4.060 4.128 4.067 4.164 0.104 14 0 "[ . 1 . 2]" 1
235 1 19 LYS QE 1 27 PHE H . . 5.500 4.172 3.488 5.402 . 0 0 "[ . 1 . 2]" 1
236 1 19 LYS QE 1 27 PHE QD . . 3.500 2.572 2.153 3.437 . 0 0 "[ . 1 . 2]" 1
237 1 19 LYS QE 1 27 PHE QE . . 3.820 3.654 3.490 3.848 0.028 1 0 "[ . 1 . 2]" 1
238 1 19 LYS HG2 1 20 VAL H . . 4.320 2.966 2.720 3.345 . 0 0 "[ . 1 . 2]" 1
239 1 19 LYS HG2 1 21 VAL H . . 5.300 3.968 3.707 4.309 . 0 0 "[ . 1 . 2]" 1
240 1 19 LYS HG3 1 20 VAL H . . 5.300 3.333 2.894 3.795 . 0 0 "[ . 1 . 2]" 1
241 1 20 VAL H 1 20 VAL HB . . 3.580 3.206 3.095 3.320 . 0 0 "[ . 1 . 2]" 1
242 1 20 VAL H 1 21 VAL H . . 4.660 4.205 4.140 4.276 . 0 0 "[ . 1 . 2]" 1
243 1 20 VAL H 1 26 VAL HA . . 4.890 4.706 4.648 4.781 . 0 0 "[ . 1 . 2]" 1
244 1 20 VAL HA 1 21 VAL H . . 3.250 2.153 2.116 2.183 . 0 0 "[ . 1 . 2]" 1
245 1 20 VAL HA 1 21 VAL HB . . 4.890 4.716 4.597 4.795 . 0 0 "[ . 1 . 2]" 1
246 1 20 VAL HA 1 26 VAL H . . 5.450 4.862 4.782 4.909 . 0 0 "[ . 1 . 2]" 1
247 1 20 VAL HA 1 26 VAL HA . . 4.170 2.290 2.220 2.370 . 0 0 "[ . 1 . 2]" 1
248 1 21 VAL H 1 21 VAL HB . . 3.900 2.612 2.521 2.741 . 0 0 "[ . 1 . 2]" 1
249 1 21 VAL H 1 24 GLU H . . 5.230 4.772 4.510 4.947 . 0 0 "[ . 1 . 2]" 1
250 1 21 VAL H 1 24 GLU HB2 . . 4.630 4.418 4.207 4.540 . 0 0 "[ . 1 . 2]" 1
251 1 21 VAL H 1 24 GLU HB3 . . 5.500 5.522 5.411 5.570 0.070 11 0 "[ . 1 . 2]" 1
252 1 21 VAL H 1 25 ASN H . . 4.440 3.245 3.066 3.384 . 0 0 "[ . 1 . 2]" 1
253 1 21 VAL H 1 26 VAL H . . 5.500 4.817 4.702 5.008 . 0 0 "[ . 1 . 2]" 1
254 1 21 VAL H 1 36 PHE QE . . 5.310 3.358 3.189 3.550 . 0 0 "[ . 1 . 2]" 1
255 1 21 VAL HA 1 22 PHE HB2 . . 4.530 4.457 4.315 4.538 0.008 19 0 "[ . 1 . 2]" 1
256 1 21 VAL HA 1 24 GLU HB2 . . 4.660 4.664 4.526 4.747 0.087 8 0 "[ . 1 . 2]" 1
257 1 21 VAL HB 1 24 GLU H . . 4.440 4.010 3.633 4.284 . 0 0 "[ . 1 . 2]" 1
258 1 21 VAL HB 1 24 GLU HA . . 5.500 5.173 4.863 5.371 . 0 0 "[ . 1 . 2]" 1
259 1 21 VAL HB 1 24 GLU HB2 . . 4.160 2.353 2.156 2.548 . 0 0 "[ . 1 . 2]" 1
260 1 21 VAL HB 1 25 ASN H . . 3.650 2.459 2.105 2.717 . 0 0 "[ . 1 . 2]" 1
261 1 22 PHE H 1 22 PHE QD . . 5.300 2.202 1.900 2.615 . 0 0 "[ . 1 . 2]" 1
262 1 22 PHE H 1 22 PHE QE . . 4.800 4.194 3.973 4.419 . 0 0 "[ . 1 . 2]" 1
263 1 22 PHE HA 1 22 PHE QD . . 4.290 2.892 2.602 3.075 . 0 0 "[ . 1 . 2]" 1
264 1 22 PHE HA 1 23 TYR HA . . 5.500 4.178 4.108 4.254 . 0 0 "[ . 1 . 2]" 1
265 1 22 PHE HA 1 24 GLU H . . 4.690 3.301 3.131 3.487 . 0 0 "[ . 1 . 2]" 1
266 1 22 PHE HA 1 36 PHE HZ . . 3.550 2.648 2.432 2.960 . 0 0 "[ . 1 . 2]" 1
267 1 22 PHE HA 1 46 TYR QE . . 5.460 4.767 4.559 4.991 . 0 0 "[ . 1 . 2]" 1
268 1 22 PHE HB3 1 23 TYR H . . 5.470 3.148 2.985 3.312 . 0 0 "[ . 1 . 2]" 1
269 1 22 PHE HB3 1 23 TYR QB . . 4.980 4.060 3.923 4.162 . 0 0 "[ . 1 . 2]" 1
270 1 22 PHE HB3 1 23 TYR QD . . 5.500 2.329 2.104 2.667 . 0 0 "[ . 1 . 2]" 1
271 1 22 PHE HB3 1 23 TYR QE . . 5.500 3.466 3.026 3.820 . 0 0 "[ . 1 . 2]" 1
272 1 22 PHE QD 1 87 MET ME . . 4.970 4.549 4.391 4.709 . 0 0 "[ . 1 . 2]" 1
273 1 22 PHE QE 1 44 LEU HG . . 5.310 4.779 4.190 5.337 0.027 9 0 "[ . 1 . 2]" 1
274 1 22 PHE QE 1 87 MET ME . . 3.980 2.865 2.400 3.114 . 0 0 "[ . 1 . 2]" 1
275 1 23 TYR H 1 24 GLU H . . 4.120 2.631 2.558 2.708 . 0 0 "[ . 1 . 2]" 1
276 1 23 TYR H 1 36 PHE HB3 . . 5.500 4.189 3.890 4.692 . 0 0 "[ . 1 . 2]" 1
277 1 23 TYR H 1 36 PHE QE . . 3.280 2.198 1.966 2.389 . 0 0 "[ . 1 . 2]" 1
278 1 23 TYR HA 1 23 TYR QD . . 4.270 2.986 2.784 3.109 . 0 0 "[ . 1 . 2]" 1
279 1 23 TYR HA 1 36 PHE HB2 . . 4.890 3.037 2.747 3.481 . 0 0 "[ . 1 . 2]" 1
280 1 23 TYR HA 1 36 PHE HB3 . . 4.780 3.165 2.903 3.457 . 0 0 "[ . 1 . 2]" 1
281 1 23 TYR HA 1 36 PHE QD . . 4.250 2.550 2.405 2.695 . 0 0 "[ . 1 . 2]" 1
282 1 23 TYR QB 1 24 GLU HB2 . . 5.410 5.078 4.951 5.219 . 0 0 "[ . 1 . 2]" 1
283 1 23 TYR QB 1 24 GLU HG2 . . 4.730 4.639 3.297 4.756 0.026 1 0 "[ . 1 . 2]" 1
284 1 23 TYR QB 1 24 GLU HG3 . . 4.730 3.788 3.561 4.805 0.075 16 0 "[ . 1 . 2]" 1
285 1 23 TYR QD 1 36 PHE HB3 . . 5.500 4.765 4.178 5.208 . 0 0 "[ . 1 . 2]" 1
286 1 23 TYR QE 1 39 GLN H . . 4.870 4.939 4.882 4.997 0.127 19 0 "[ . 1 . 2]" 1
287 1 24 GLU H 1 24 GLU HB2 . . 4.060 2.624 2.541 2.729 . 0 0 "[ . 1 . 2]" 1
288 1 24 GLU H 1 24 GLU QG . . 4.110 3.156 2.837 3.292 . 0 0 "[ . 1 . 2]" 1
289 1 24 GLU H 1 25 ASN H . . 3.630 2.783 2.672 2.970 . 0 0 "[ . 1 . 2]" 1
290 1 24 GLU H 1 25 ASN HA . . 5.410 4.555 4.390 4.697 . 0 0 "[ . 1 . 2]" 1
291 1 24 GLU H 1 36 PHE H . . 5.240 4.781 4.503 5.231 . 0 0 "[ . 1 . 2]" 1
292 1 24 GLU HA 1 24 GLU HG2 . . 4.230 2.444 2.329 2.924 . 0 0 "[ . 1 . 2]" 1
293 1 24 GLU HA 1 24 GLU QG . . 3.600 2.335 2.257 2.828 . 0 0 "[ . 1 . 2]" 1
294 1 24 GLU HA 1 24 GLU HG3 . . 4.230 2.976 2.761 3.759 . 0 0 "[ . 1 . 2]" 1
295 1 24 GLU HA 1 36 PHE H . . 5.080 4.296 4.069 4.618 . 0 0 "[ . 1 . 2]" 1
296 1 24 GLU HA 1 36 PHE HB3 . . 5.500 5.510 5.406 5.563 0.063 6 0 "[ . 1 . 2]" 1
297 1 24 GLU HB2 1 25 ASN H . . 3.840 2.167 1.961 2.313 . 0 0 "[ . 1 . 2]" 1
298 1 24 GLU HB2 1 25 ASN HD21 . . 5.500 4.024 3.674 4.644 . 0 0 "[ . 1 . 2]" 1
299 1 24 GLU HB3 1 25 ASN H . . 3.990 2.709 2.542 2.861 . 0 0 "[ . 1 . 2]" 1
300 1 24 GLU HB3 1 25 ASN HD21 . . 5.100 3.160 2.711 3.401 . 0 0 "[ . 1 . 2]" 1
301 1 24 GLU QG 1 25 ASN H . . 4.350 4.006 3.802 4.125 . 0 0 "[ . 1 . 2]" 1
302 1 25 ASN H 1 26 VAL H . . 5.080 4.327 4.287 4.371 . 0 0 "[ . 1 . 2]" 1
303 1 25 ASN H 1 26 VAL HA . . 5.490 4.759 4.717 4.837 . 0 0 "[ . 1 . 2]" 1
304 1 25 ASN H 1 36 PHE H . . 5.500 4.749 4.502 5.187 . 0 0 "[ . 1 . 2]" 1
305 1 25 ASN H 1 36 PHE QD . . 5.270 3.730 3.599 4.051 . 0 0 "[ . 1 . 2]" 1
306 1 25 ASN HA 1 26 VAL HB . . 5.490 4.538 4.485 4.634 . 0 0 "[ . 1 . 2]" 1
307 1 25 ASN HA 1 34 GLY H . . 5.500 4.659 4.566 4.827 . 0 0 "[ . 1 . 2]" 1
308 1 25 ASN HA 1 36 PHE H . . 4.350 3.051 2.873 3.190 . 0 0 "[ . 1 . 2]" 1
309 1 25 ASN HA 1 36 PHE QD . . 3.770 2.231 2.024 2.409 . 0 0 "[ . 1 . 2]" 1
310 1 25 ASN HA 1 36 PHE HZ . . 5.200 5.083 4.924 5.213 0.013 4 0 "[ . 1 . 2]" 1
311 1 25 ASN HB2 1 26 VAL H . . 3.660 2.496 2.322 2.948 . 0 0 "[ . 1 . 2]" 1
312 1 25 ASN HB2 1 26 VAL HB . . 5.340 5.042 4.914 5.383 0.043 20 0 "[ . 1 . 2]" 1
313 1 25 ASN HB2 1 27 PHE QD . . 4.630 4.053 2.972 4.399 . 0 0 "[ . 1 . 2]" 1
314 1 25 ASN HB2 1 27 PHE HZ . . 4.700 4.000 3.466 4.394 . 0 0 "[ . 1 . 2]" 1
315 1 25 ASN HB2 1 33 LEU H . . 5.500 5.033 4.742 5.531 0.031 20 0 "[ . 1 . 2]" 1
316 1 25 ASN HB2 1 34 GLY H . . 5.500 4.386 4.085 5.348 . 0 0 "[ . 1 . 2]" 1
317 1 25 ASN HB3 1 26 VAL H . . 4.240 3.503 2.405 3.688 . 0 0 "[ . 1 . 2]" 1
318 1 25 ASN HB3 1 35 ASN HA . . 5.030 2.823 2.302 3.489 . 0 0 "[ . 1 . 2]" 1
319 1 25 ASN HB3 1 36 PHE H . . 4.890 4.029 3.605 4.893 0.003 20 0 "[ . 1 . 2]" 1
320 1 25 ASN HD21 1 27 PHE QE . . 5.010 2.434 2.059 3.460 . 0 0 "[ . 1 . 2]" 1
321 1 25 ASN HD21 1 27 PHE HZ . . 4.440 3.979 3.641 4.443 0.003 12 0 "[ . 1 . 2]" 1
322 1 26 VAL H 1 26 VAL HB . . 3.730 2.624 2.576 2.687 . 0 0 "[ . 1 . 2]" 1
323 1 26 VAL H 1 27 PHE H . . 5.500 4.411 4.299 4.457 . 0 0 "[ . 1 . 2]" 1
324 1 26 VAL H 1 27 PHE QE . . 4.570 4.606 4.576 4.637 0.067 12 0 "[ . 1 . 2]" 1
325 1 26 VAL H 1 33 LEU H . . 4.600 4.154 4.023 4.250 . 0 0 "[ . 1 . 2]" 1
326 1 26 VAL H 1 34 GLY H . . 4.130 2.735 2.656 2.871 . 0 0 "[ . 1 . 2]" 1
327 1 26 VAL H 1 34 GLY HA2 . . 5.150 4.738 4.658 4.927 . 0 0 "[ . 1 . 2]" 1
328 1 26 VAL H 1 35 ASN H . . 5.500 4.971 4.845 5.186 . 0 0 "[ . 1 . 2]" 1
329 1 26 VAL H 1 35 ASN HA . . 4.520 3.514 3.372 3.729 . 0 0 "[ . 1 . 2]" 1
330 1 26 VAL H 1 36 PHE H . . 5.230 4.963 4.739 5.123 . 0 0 "[ . 1 . 2]" 1
331 1 26 VAL H 1 36 PHE QD . . 4.240 3.901 3.611 4.170 . 0 0 "[ . 1 . 2]" 1
332 1 26 VAL HA 1 27 PHE QD . . 4.870 3.309 3.066 3.516 . 0 0 "[ . 1 . 2]" 1
333 1 26 VAL HB 1 27 PHE H . . 4.520 3.921 3.755 4.014 . 0 0 "[ . 1 . 2]" 1
334 1 26 VAL HB 1 27 PHE HA . . 5.410 4.678 4.534 4.752 . 0 0 "[ . 1 . 2]" 1
335 1 26 VAL HB 1 34 GLY H . . 3.560 2.466 2.313 2.788 . 0 0 "[ . 1 . 2]" 1
336 1 26 VAL HB 1 46 TYR HB2 . . 4.580 4.015 3.813 4.355 . 0 0 "[ . 1 . 2]" 1
337 1 26 VAL HB 1 46 TYR HB3 . . 4.670 4.048 3.743 4.306 . 0 0 "[ . 1 . 2]" 1
338 1 27 PHE H 1 27 PHE QD . . 4.400 3.033 2.945 3.197 . 0 0 "[ . 1 . 2]" 1
339 1 27 PHE H 1 33 LEU QB . . 4.660 3.612 3.531 3.672 . 0 0 "[ . 1 . 2]" 1
340 1 27 PHE HA 1 27 PHE QD . . 4.300 3.015 2.937 3.142 . 0 0 "[ . 1 . 2]" 1
341 1 27 PHE HA 1 27 PHE QE . . 4.740 4.598 4.503 4.713 . 0 0 "[ . 1 . 2]" 1
342 1 27 PHE HA 1 28 GLN H . . 3.300 2.167 2.133 2.213 . 0 0 "[ . 1 . 2]" 1
343 1 27 PHE HA 1 28 GLN HB2 . . 5.500 4.475 4.389 4.639 . 0 0 "[ . 1 . 2]" 1
344 1 27 PHE HA 1 31 ILE H . . 5.070 4.830 4.728 4.990 . 0 0 "[ . 1 . 2]" 1
345 1 27 PHE HA 1 32 LEU H . . 5.500 4.879 4.802 5.064 . 0 0 "[ . 1 . 2]" 1
346 1 27 PHE HA 1 32 LEU HA . . 4.600 2.707 2.528 2.955 . 0 0 "[ . 1 . 2]" 1
347 1 27 PHE HA 1 33 LEU H . . 3.810 2.179 2.111 2.276 . 0 0 "[ . 1 . 2]" 1
348 1 27 PHE HA 1 33 LEU HG . . 4.620 4.591 4.411 4.818 0.198 11 0 "[ . 1 . 2]" 1
349 1 27 PHE HA 1 34 GLY H . . 5.350 4.352 3.998 4.504 . 0 0 "[ . 1 . 2]" 1
350 1 27 PHE HB2 1 28 GLN H . . 4.200 3.969 3.890 4.066 . 0 0 "[ . 1 . 2]" 1
351 1 27 PHE HB2 1 33 LEU H . . 5.450 5.016 4.883 5.073 . 0 0 "[ . 1 . 2]" 1
352 1 27 PHE HB3 1 28 GLN H . . 3.920 2.834 2.704 3.053 . 0 0 "[ . 1 . 2]" 1
353 1 27 PHE HB3 1 33 LEU H . . 5.050 4.601 4.485 4.740 . 0 0 "[ . 1 . 2]" 1
354 1 27 PHE QD 1 28 GLN H . . 4.650 3.720 3.529 4.033 . 0 0 "[ . 1 . 2]" 1
355 1 27 PHE QD 1 30 SER HA . . 4.380 3.629 3.228 3.978 . 0 0 "[ . 1 . 2]" 1
356 1 27 PHE QD 1 31 ILE H . . 4.830 4.014 3.657 4.195 . 0 0 "[ . 1 . 2]" 1
357 1 27 PHE QD 1 32 LEU H . . 5.060 3.724 3.486 3.997 . 0 0 "[ . 1 . 2]" 1
358 1 27 PHE QD 1 32 LEU HA . . 4.330 2.656 2.425 2.921 . 0 0 "[ . 1 . 2]" 1
359 1 27 PHE QD 1 33 LEU H . . 5.130 4.052 3.863 4.163 . 0 0 "[ . 1 . 2]" 1
360 1 27 PHE QD 1 33 LEU QB . . 4.690 4.668 4.464 4.719 0.029 1 0 "[ . 1 . 2]" 1
361 1 27 PHE QD 1 34 GLY H . . 5.500 5.512 5.219 5.576 0.076 18 0 "[ . 1 . 2]" 1
362 1 27 PHE QE 1 31 ILE HA . . 5.500 5.029 4.467 5.396 . 0 0 "[ . 1 . 2]" 1
363 1 27 PHE QE 1 32 LEU H . . 4.940 4.065 3.817 4.365 . 0 0 "[ . 1 . 2]" 1
364 1 27 PHE QE 1 32 LEU HA . . 4.470 3.233 3.059 3.357 . 0 0 "[ . 1 . 2]" 1
365 1 27 PHE QE 1 32 LEU HB2 . . 5.500 2.601 2.364 2.881 . 0 0 "[ . 1 . 2]" 1
366 1 27 PHE QE 1 33 LEU H . . 4.960 4.957 4.699 5.009 0.049 4 0 "[ . 1 . 2]" 1
367 1 27 PHE HZ 1 32 LEU HB2 . . 4.640 3.991 3.627 4.322 . 0 0 "[ . 1 . 2]" 1
368 1 27 PHE HZ 1 32 LEU HG . . 5.500 5.539 5.500 5.587 0.087 18 0 "[ . 1 . 2]" 1
369 1 28 GLN H 1 28 GLN HB2 . . 3.850 2.986 2.892 3.061 . 0 0 "[ . 1 . 2]" 1
370 1 28 GLN H 1 29 ASP H . . 4.520 3.933 3.804 4.145 . 0 0 "[ . 1 . 2]" 1
371 1 28 GLN H 1 30 SER H . . 5.500 4.320 3.995 4.688 . 0 0 "[ . 1 . 2]" 1
372 1 28 GLN H 1 31 ILE H . . 3.980 3.220 3.040 3.463 . 0 0 "[ . 1 . 2]" 1
373 1 28 GLN H 1 31 ILE HB . . 3.900 3.127 2.811 3.629 . 0 0 "[ . 1 . 2]" 1
374 1 28 GLN H 1 32 LEU H . . 5.220 4.870 4.807 5.158 . 0 0 "[ . 1 . 2]" 1
375 1 28 GLN H 1 32 LEU HA . . 4.780 3.918 3.789 4.206 . 0 0 "[ . 1 . 2]" 1
376 1 28 GLN H 1 33 LEU H . . 4.530 3.566 3.422 3.689 . 0 0 "[ . 1 . 2]" 1
377 1 28 GLN H 1 33 LEU HG . . 5.190 4.858 4.394 5.230 0.040 11 0 "[ . 1 . 2]" 1
378 1 28 GLN HA 1 29 ASP H . . 3.120 2.114 2.076 2.172 . 0 0 "[ . 1 . 2]" 1
379 1 28 GLN HB3 1 29 ASP H . . 5.500 4.322 4.231 4.371 . 0 0 "[ . 1 . 2]" 1
380 1 28 GLN HB3 1 31 ILE HB . . 5.270 2.449 2.093 3.042 . 0 0 "[ . 1 . 2]" 1
381 1 28 GLN HG2 1 29 ASP H . . 4.110 3.546 3.292 3.757 . 0 0 "[ . 1 . 2]" 1
382 1 29 ASP H 1 29 ASP HA . . 2.940 2.271 2.237 2.296 . 0 0 "[ . 1 . 2]" 1
383 1 29 ASP H 1 30 SER H . . 4.860 3.935 3.746 4.076 . 0 0 "[ . 1 . 2]" 1
384 1 29 ASP H 1 31 ILE H . . 5.480 4.400 4.292 4.583 . 0 0 "[ . 1 . 2]" 1
385 1 29 ASP HB2 1 30 SER H . . 3.240 3.266 3.233 3.286 0.046 17 0 "[ . 1 . 2]" 1
386 1 29 ASP HB2 1 30 SER QB . . 5.500 5.178 4.820 5.396 . 0 0 "[ . 1 . 2]" 1
387 1 29 ASP HB2 1 31 ILE H . . 4.220 4.365 4.329 4.413 0.193 8 0 "[ . 1 . 2]" 1
388 1 29 ASP HB3 1 30 SER H . . 3.170 1.712 1.675 1.779 . 0 0 "[ . 1 . 2]" 1
389 1 29 ASP HB3 1 30 SER QB . . 5.230 3.812 3.506 4.340 . 0 0 "[ . 1 . 2]" 1
390 1 29 ASP HB3 1 31 ILE H . . 4.540 2.890 2.795 3.016 . 0 0 "[ . 1 . 2]" 1
391 1 30 SER H 1 30 SER QB . . 3.460 2.770 2.594 3.174 . 0 0 "[ . 1 . 2]" 1
392 1 30 SER H 1 31 ILE H . . 3.470 1.639 1.540 1.728 . 0 0 "[ . 1 . 2]" 1
393 1 30 SER H 1 31 ILE HB . . 5.440 3.816 3.690 3.944 . 0 0 "[ . 1 . 2]" 1
394 1 30 SER H 1 31 ILE HG12 . . 4.830 3.685 2.799 4.646 . 0 0 "[ . 1 . 2]" 1
395 1 30 SER QB 1 31 ILE H . . 5.270 3.430 3.271 3.883 . 0 0 "[ . 1 . 2]" 1
396 1 31 ILE H 1 31 ILE HB . . 3.340 2.456 2.389 2.509 . 0 0 "[ . 1 . 2]" 1
397 1 31 ILE H 1 31 ILE HG12 . . 3.510 2.967 2.204 3.566 0.056 19 0 "[ . 1 . 2]" 1
398 1 31 ILE H 1 32 LEU H . . 4.800 4.523 4.481 4.571 . 0 0 "[ . 1 . 2]" 1
399 1 31 ILE HA 1 32 LEU H . . 2.980 2.196 2.130 2.248 . 0 0 "[ . 1 . 2]" 1
400 1 31 ILE HA 1 32 LEU HA . . 4.580 4.359 4.288 4.409 . 0 0 "[ . 1 . 2]" 1
401 1 31 ILE HA 1 32 LEU HB2 . . 5.050 4.580 4.418 4.676 . 0 0 "[ . 1 . 2]" 1
402 1 31 ILE HA 1 32 LEU HB3 . . 5.360 4.551 4.441 4.617 . 0 0 "[ . 1 . 2]" 1
403 1 31 ILE HA 1 50 GLN HE21 . . 4.970 5.818 3.565 6.600 1.630 4 15 "[*- +* **** **.*****]" 1
404 1 31 ILE HB 1 32 LEU H . . 5.500 4.116 4.048 4.195 . 0 0 "[ . 1 . 2]" 1
405 1 31 ILE HG12 1 32 LEU H . . 5.500 4.742 4.190 5.215 . 0 0 "[ . 1 . 2]" 1
406 1 31 ILE HG12 1 50 GLN HE21 . . 5.500 5.968 2.799 7.132 1.632 15 9 "[ * . ** 1- * +* * *]" 1
407 1 32 LEU H 1 32 LEU HB2 . . 3.640 2.659 2.545 2.740 . 0 0 "[ . 1 . 2]" 1
408 1 32 LEU H 1 32 LEU HB3 . . 3.490 2.372 2.335 2.422 . 0 0 "[ . 1 . 2]" 1
409 1 32 LEU H 1 32 LEU HG . . 4.340 4.375 4.354 4.392 0.052 5 0 "[ . 1 . 2]" 1
410 1 32 LEU H 1 33 LEU H . . 5.100 4.414 4.359 4.461 . 0 0 "[ . 1 . 2]" 1
411 1 32 LEU H 1 50 GLN HB3 . . 4.260 3.741 3.297 4.295 0.035 12 0 "[ . 1 . 2]" 1
412 1 32 LEU H 1 50 GLN HE21 . . 4.890 5.792 3.787 6.489 1.599 17 15 "[** ** **** **.*+*-*]" 1
413 1 32 LEU H 1 50 GLN HG2 . . 5.500 4.166 3.599 4.964 . 0 0 "[ . 1 . 2]" 1
414 1 32 LEU H 1 50 GLN HG3 . . 5.500 3.573 2.977 5.517 0.017 12 0 "[ . 1 . 2]" 1
415 1 32 LEU HA 1 32 LEU HG . . 4.090 3.216 3.099 3.267 . 0 0 "[ . 1 . 2]" 1
416 1 32 LEU HA 1 33 LEU H . . 3.390 2.188 2.123 2.229 . 0 0 "[ . 1 . 2]" 1
417 1 32 LEU HA 1 34 GLY H . . 5.170 4.304 4.217 4.378 . 0 0 "[ . 1 . 2]" 1
418 1 32 LEU HB2 1 33 LEU H . . 4.730 4.379 4.266 4.465 . 0 0 "[ . 1 . 2]" 1
419 1 32 LEU HB2 1 50 GLN H . . 4.770 4.677 4.497 4.784 0.014 18 0 "[ . 1 . 2]" 1
420 1 32 LEU HB3 1 33 LEU H . . 5.110 4.394 4.285 4.455 . 0 0 "[ . 1 . 2]" 1
421 1 32 LEU HB3 1 50 GLN H . . 4.110 3.077 2.866 3.223 . 0 0 "[ . 1 . 2]" 1
422 1 32 LEU HB3 1 50 GLN HB3 . . 5.400 3.771 3.333 4.031 . 0 0 "[ . 1 . 2]" 1
423 1 32 LEU HB3 1 50 GLN HG2 . . 5.220 4.092 3.328 4.946 . 0 0 "[ . 1 . 2]" 1
424 1 32 LEU HB3 1 50 GLN HG3 . . 5.220 4.102 3.533 5.298 0.078 12 0 "[ . 1 . 2]" 1
425 1 32 LEU HG 1 34 GLY H . . 4.940 3.731 3.580 3.927 . 0 0 "[ . 1 . 2]" 1
426 1 32 LEU HG 1 34 GLY HA2 . . 5.430 3.632 3.516 3.839 . 0 0 "[ . 1 . 2]" 1
427 1 32 LEU HG 1 35 ASN H . . 4.900 4.904 4.817 4.939 0.039 3 0 "[ . 1 . 2]" 1
428 1 32 LEU HG 1 35 ASN HD21 . . 4.300 3.529 3.072 3.814 . 0 0 "[ . 1 . 2]" 1
429 1 32 LEU HG 1 49 GLY H . . 5.050 4.860 4.713 5.092 0.042 18 0 "[ . 1 . 2]" 1
430 1 32 LEU HG 1 49 GLY HA2 . . 4.160 2.333 2.113 2.629 . 0 0 "[ . 1 . 2]" 1
431 1 32 LEU HG 1 49 GLY HA3 . . 4.550 2.836 2.693 3.078 . 0 0 "[ . 1 . 2]" 1
432 1 32 LEU HG 1 50 GLN H . . 4.110 3.051 2.859 3.237 . 0 0 "[ . 1 . 2]" 1
433 1 32 LEU HG 1 50 GLN HB2 . . 5.330 3.949 3.702 4.328 . 0 0 "[ . 1 . 2]" 1
434 1 32 LEU HG 1 50 GLN HB3 . . 5.500 5.073 4.606 5.343 . 0 0 "[ . 1 . 2]" 1
435 1 33 LEU H 1 33 LEU QB . . 3.660 1.947 1.895 2.164 . 0 0 "[ . 1 . 2]" 1
436 1 33 LEU H 1 33 LEU HG . . 3.870 4.100 3.976 4.115 0.245 16 0 "[ . 1 . 2]" 1
437 1 33 LEU H 1 34 GLY H . . 3.570 2.612 2.453 2.682 . 0 0 "[ . 1 . 2]" 1
438 1 33 LEU H 1 50 GLN H . . 5.500 4.656 4.554 4.759 . 0 0 "[ . 1 . 2]" 1
439 1 33 LEU H 1 50 GLN HB2 . . 5.500 5.219 5.007 5.507 0.007 14 0 "[ . 1 . 2]" 1
440 1 33 LEU HA 1 34 GLY HA3 . . 5.420 4.780 4.726 4.823 . 0 0 "[ . 1 . 2]" 1
441 1 33 LEU HA 1 49 GLY HA3 . . 5.460 3.867 3.415 4.015 . 0 0 "[ . 1 . 2]" 1
442 1 33 LEU HA 1 50 GLN H . . 4.610 3.665 3.289 3.768 . 0 0 "[ . 1 . 2]" 1
443 1 33 LEU HA 1 58 ARG HB2 . . 4.860 2.911 2.647 3.159 . 0 0 "[ . 1 . 2]" 1
444 1 33 LEU HA 1 58 ARG HB3 . . 4.730 3.069 2.819 3.374 . 0 0 "[ . 1 . 2]" 1
445 1 33 LEU HA 1 58 ARG QD . . 4.790 2.803 2.482 3.196 . 0 0 "[ . 1 . 2]" 1
446 1 33 LEU HA 1 59 SER HA . . 5.270 5.343 5.309 5.381 0.111 7 0 "[ . 1 . 2]" 1
447 1 33 LEU QB 1 34 GLY H . . 5.400 1.986 1.866 2.261 . 0 0 "[ . 1 . 2]" 1
448 1 33 LEU QB 1 58 ARG QD . . 5.030 4.329 4.043 4.707 . 0 0 "[ . 1 . 2]" 1
449 1 33 LEU HG 1 34 GLY H . . 4.720 4.141 3.120 4.392 . 0 0 "[ . 1 . 2]" 1
450 1 33 LEU HG 1 83 TYR QD . . 4.720 4.592 4.175 4.750 0.030 12 0 "[ . 1 . 2]" 1
451 1 34 GLY H 1 35 ASN H . . 4.900 4.269 4.226 4.309 . 0 0 "[ . 1 . 2]" 1
452 1 34 GLY H 1 35 ASN HD21 . . 5.500 5.692 5.238 5.966 0.466 3 0 "[ . 1 . 2]" 1
453 1 34 GLY H 1 36 PHE QE . . 5.500 5.541 5.459 5.579 0.079 19 0 "[ . 1 . 2]" 1
454 1 34 GLY H 1 46 TYR HB3 . . 5.500 4.342 4.137 4.710 . 0 0 "[ . 1 . 2]" 1
455 1 34 GLY H 1 49 GLY H . . 5.500 5.395 5.171 5.507 0.007 4 0 "[ . 1 . 2]" 1
456 1 34 GLY H 1 49 GLY HA2 . . 5.500 4.518 4.357 4.667 . 0 0 "[ . 1 . 2]" 1
457 1 34 GLY H 1 49 GLY HA3 . . 4.910 3.960 3.858 4.077 . 0 0 "[ . 1 . 2]" 1
458 1 34 GLY H 1 50 GLN H . . 5.350 5.131 5.008 5.324 . 0 0 "[ . 1 . 2]" 1
459 1 34 GLY HA2 1 35 ASN H . . 3.430 2.272 2.209 2.302 . 0 0 "[ . 1 . 2]" 1
460 1 34 GLY HA2 1 35 ASN HA . . 5.500 4.347 4.317 4.365 . 0 0 "[ . 1 . 2]" 1
461 1 34 GLY HA2 1 35 ASN HB2 . . 5.170 4.512 4.456 4.684 . 0 0 "[ . 1 . 2]" 1
462 1 34 GLY HA2 1 35 ASN HD21 . . 5.440 4.515 4.338 4.705 . 0 0 "[ . 1 . 2]" 1
463 1 34 GLY HA2 1 46 TYR HA . . 5.500 5.520 5.298 5.751 0.251 12 0 "[ . 1 . 2]" 1
464 1 34 GLY HA2 1 46 TYR HB3 . . 5.050 4.244 4.014 4.335 . 0 0 "[ . 1 . 2]" 1
465 1 34 GLY HA2 1 49 GLY H . . 4.090 2.753 2.525 2.867 . 0 0 "[ . 1 . 2]" 1
466 1 34 GLY HA2 1 60 ALA H . . 5.270 5.415 5.236 5.610 0.340 14 0 "[ . 1 . 2]" 1
467 1 34 GLY HA3 1 46 TYR HB2 . . 5.330 2.678 2.557 2.859 . 0 0 "[ . 1 . 2]" 1
468 1 34 GLY HA3 1 46 TYR HB3 . . 4.630 2.887 2.716 3.004 . 0 0 "[ . 1 . 2]" 1
469 1 34 GLY HA3 1 47 GLU H . . 4.570 3.771 3.612 4.064 . 0 0 "[ . 1 . 2]" 1
470 1 34 GLY HA3 1 48 ASN H . . 5.500 5.126 4.851 5.405 . 0 0 "[ . 1 . 2]" 1
471 1 34 GLY HA3 1 49 GLY H . . 5.500 3.934 3.744 4.098 . 0 0 "[ . 1 . 2]" 1
472 1 34 GLY HA3 1 59 SER H . . 5.100 5.146 5.105 5.184 0.084 18 0 "[ . 1 . 2]" 1
473 1 34 GLY HA3 1 60 ALA MB . . 4.980 4.275 3.971 4.443 . 0 0 "[ . 1 . 2]" 1
474 1 35 ASN H 1 35 ASN HB2 . . 4.110 2.428 2.371 2.499 . 0 0 "[ . 1 . 2]" 1
475 1 35 ASN H 1 35 ASN HB3 . . 3.790 3.635 3.597 3.676 . 0 0 "[ . 1 . 2]" 1
476 1 35 ASN H 1 35 ASN HD21 . . 4.980 4.012 3.783 4.161 . 0 0 "[ . 1 . 2]" 1
477 1 35 ASN H 1 36 PHE QD . . 5.400 5.014 4.871 5.115 . 0 0 "[ . 1 . 2]" 1
478 1 35 ASN H 1 46 TYR HA . . 5.110 4.235 3.995 4.394 . 0 0 "[ . 1 . 2]" 1
479 1 35 ASN H 1 46 TYR HB3 . . 4.680 3.606 3.488 3.772 . 0 0 "[ . 1 . 2]" 1
480 1 35 ASN H 1 47 GLU H . . 3.730 2.819 2.662 2.980 . 0 0 "[ . 1 . 2]" 1
481 1 35 ASN H 1 49 GLY H . . 4.840 3.797 3.543 3.975 . 0 0 "[ . 1 . 2]" 1
482 1 35 ASN H 1 59 SER HA . . 5.500 4.754 4.502 4.956 . 0 0 "[ . 1 . 2]" 1
483 1 35 ASN HA 1 36 PHE H . . 3.290 2.241 2.175 2.315 . 0 0 "[ . 1 . 2]" 1
484 1 35 ASN HA 1 36 PHE HB2 . . 5.030 4.588 4.518 4.688 . 0 0 "[ . 1 . 2]" 1
485 1 35 ASN HA 1 36 PHE QD . . 4.850 2.845 2.679 3.068 . 0 0 "[ . 1 . 2]" 1
486 1 35 ASN HA 1 47 GLU H . . 5.500 4.631 4.521 4.748 . 0 0 "[ . 1 . 2]" 1
487 1 35 ASN HB2 1 36 PHE H . . 3.920 3.874 3.782 3.941 0.021 6 0 "[ . 1 . 2]" 1
488 1 35 ASN HB2 1 47 GLU H . . 5.060 3.833 3.589 4.010 . 0 0 "[ . 1 . 2]" 1
489 1 35 ASN HB3 1 36 PHE H . . 4.400 2.793 2.620 2.985 . 0 0 "[ . 1 . 2]" 1
490 1 35 ASN HB3 1 47 GLU H . . 4.980 4.911 4.795 4.998 0.018 18 0 "[ . 1 . 2]" 1
491 1 35 ASN HD21 1 36 PHE H . . 5.500 6.044 5.659 6.301 0.801 20 14 "[***** -1*** * ***+]" 1
492 1 35 ASN HD21 1 49 GLY H . . 5.440 5.374 4.905 6.062 0.622 14 1 "[ . 1 +. 2]" 1
493 1 36 PHE H 1 36 PHE HB2 . . 3.710 2.371 2.313 2.431 . 0 0 "[ . 1 . 2]" 1
494 1 36 PHE H 1 36 PHE HB3 . . 3.620 3.590 3.566 3.622 0.002 20 0 "[ . 1 . 2]" 1
495 1 36 PHE H 1 36 PHE QD . . 4.040 1.959 1.841 2.053 . 0 0 "[ . 1 . 2]" 1
496 1 36 PHE H 1 46 TYR HA . . 4.840 4.488 4.249 4.674 . 0 0 "[ . 1 . 2]" 1
497 1 36 PHE H 1 46 TYR HB3 . . 5.500 4.201 4.038 4.340 . 0 0 "[ . 1 . 2]" 1
498 1 36 PHE H 1 47 GLU H . . 5.150 4.902 4.815 4.990 . 0 0 "[ . 1 . 2]" 1
499 1 36 PHE HA 1 36 PHE QD . . 3.830 2.906 2.820 3.003 . 0 0 "[ . 1 . 2]" 1
500 1 36 PHE HA 1 37 ALA MB . . 5.320 3.939 3.892 3.992 . 0 0 "[ . 1 . 2]" 1
501 1 36 PHE HA 1 38 SER H . . 4.500 4.001 3.901 4.264 . 0 0 "[ . 1 . 2]" 1
502 1 36 PHE HA 1 46 TYR HA . . 4.540 2.367 2.218 2.450 . 0 0 "[ . 1 . 2]" 1
503 1 36 PHE HA 1 46 TYR QE . . 5.500 4.067 3.860 4.319 . 0 0 "[ . 1 . 2]" 1
504 1 36 PHE HA 1 47 GLU H . . 4.020 3.830 3.703 3.973 . 0 0 "[ . 1 . 2]" 1
505 1 36 PHE HB2 1 37 ALA H . . 5.500 4.354 4.268 4.406 . 0 0 "[ . 1 . 2]" 1
506 1 36 PHE HB3 1 37 ALA H . . 4.620 3.489 3.312 3.588 . 0 0 "[ . 1 . 2]" 1
507 1 36 PHE HB3 1 38 SER H . . 5.500 4.303 3.971 4.616 . 0 0 "[ . 1 . 2]" 1
508 1 36 PHE HB3 1 46 TYR QE . . 5.000 4.222 3.935 4.482 . 0 0 "[ . 1 . 2]" 1
509 1 36 PHE QD 1 44 LEU HB2 . . 5.500 5.180 4.954 5.520 0.020 13 0 "[ . 1 . 2]" 1
510 1 36 PHE QD 1 44 LEU HB3 . . 4.620 3.809 3.512 4.192 . 0 0 "[ . 1 . 2]" 1
511 1 36 PHE QD 1 45 LYS H . . 5.500 5.485 5.305 5.549 0.049 10 0 "[ . 1 . 2]" 1
512 1 36 PHE QD 1 46 TYR HB2 . . 4.930 5.046 5.018 5.078 0.148 7 0 "[ . 1 . 2]" 1
513 1 36 PHE QD 1 46 TYR HB3 . . 3.730 3.481 3.412 3.541 . 0 0 "[ . 1 . 2]" 1
514 1 36 PHE QD 1 46 TYR QE . . 3.010 2.984 2.869 3.055 0.045 6 0 "[ . 1 . 2]" 1
515 1 37 ALA H 1 38 SER H . . 3.430 2.292 2.168 2.392 . 0 0 "[ . 1 . 2]" 1
516 1 37 ALA H 1 45 LYS H . . 5.100 4.505 4.313 4.829 . 0 0 "[ . 1 . 2]" 1
517 1 37 ALA H 1 46 TYR HA . . 4.810 2.549 2.294 2.859 . 0 0 "[ . 1 . 2]" 1
518 1 37 ALA H 1 47 GLU H . . 4.680 3.602 3.433 3.807 . 0 0 "[ . 1 . 2]" 1
519 1 37 ALA MB 1 38 SER H . . 3.400 2.442 2.376 2.532 . 0 0 "[ . 1 . 2]" 1
520 1 37 ALA MB 1 38 SER QB . . 5.270 3.544 3.156 3.705 . 0 0 "[ . 1 . 2]" 1
521 1 37 ALA MB 1 45 LYS H . . 5.500 4.856 4.409 5.499 . 0 0 "[ . 1 . 2]" 1
522 1 37 ALA MB 1 47 GLU H . . 4.030 3.137 2.881 3.428 . 0 0 "[ . 1 . 2]" 1
523 1 37 ALA MB 1 47 GLU HB2 . . 4.790 3.609 2.393 4.612 . 0 0 "[ . 1 . 2]" 1
524 1 37 ALA MB 1 47 GLU QB . . 4.090 3.238 2.369 3.980 . 0 0 "[ . 1 . 2]" 1
525 1 37 ALA MB 1 47 GLU HB3 . . 4.790 4.138 3.812 4.480 . 0 0 "[ . 1 . 2]" 1
526 1 37 ALA MB 1 47 GLU QG . . 4.250 2.458 1.930 3.463 . 0 0 "[ . 1 . 2]" 1
527 1 38 SER H 1 39 GLN H . . 4.690 4.180 4.072 4.286 . 0 0 "[ . 1 . 2]" 1
528 1 38 SER H 1 39 GLN QG . . 5.500 4.787 3.547 5.582 0.082 7 0 "[ . 1 . 2]" 1
529 1 38 SER H 1 45 LYS H . . 4.390 3.486 3.096 3.893 . 0 0 "[ . 1 . 2]" 1
530 1 38 SER H 1 45 LYS HB2 . . 4.270 3.528 3.131 4.371 0.101 17 0 "[ . 1 . 2]" 1
531 1 38 SER H 1 45 LYS HB3 . . 4.270 3.813 2.728 4.293 0.023 2 0 "[ . 1 . 2]" 1
532 1 38 SER H 1 45 LYS QG . . 5.260 4.892 3.968 5.285 0.025 19 0 "[ . 1 . 2]" 1
533 1 38 SER H 1 46 TYR HA . . 5.000 4.382 4.083 4.622 . 0 0 "[ . 1 . 2]" 1
534 1 38 SER QB 1 39 GLN H . . 3.780 2.991 2.507 3.627 . 0 0 "[ . 1 . 2]" 1
535 1 39 GLN H 1 39 GLN HE21 . . 5.500 4.828 4.054 5.592 0.092 18 0 "[ . 1 . 2]" 1
536 1 39 GLN H 1 39 GLN QG . . 3.950 2.841 2.180 3.702 . 0 0 "[ . 1 . 2]" 1
537 1 39 GLN H 1 44 LEU HA . . 5.500 4.927 4.678 5.154 . 0 0 "[ . 1 . 2]" 1
538 1 39 GLN H 1 45 LYS H . . 5.260 4.830 4.604 5.089 . 0 0 "[ . 1 . 2]" 1
539 1 39 GLN QB 1 43 VAL H . . 4.780 4.151 3.930 4.392 . 0 0 "[ . 1 . 2]" 1
540 1 39 GLN HB2 1 40 GLU H . . 5.500 3.304 2.694 4.135 . 0 0 "[ . 1 . 2]" 1
541 1 39 GLN HB2 1 43 VAL H . . 5.500 4.850 4.022 5.655 0.155 3 0 "[ . 1 . 2]" 1
542 1 39 GLN HB3 1 40 GLU H . . 5.500 3.510 2.771 4.010 . 0 0 "[ . 1 . 2]" 1
543 1 39 GLN HB3 1 43 VAL H . . 5.500 5.020 4.147 5.626 0.126 14 0 "[ . 1 . 2]" 1
544 1 39 GLN QG 1 40 GLU H . . 4.410 4.210 3.926 4.550 0.140 12 0 "[ . 1 . 2]" 1
545 1 39 GLN QG 1 45 LYS H . . 5.410 4.268 2.684 5.085 . 0 0 "[ . 1 . 2]" 1
546 1 40 GLU H 1 43 VAL H . . 4.980 3.348 3.080 3.592 . 0 0 "[ . 1 . 2]" 1
547 1 40 GLU H 1 43 VAL HB . . 4.070 3.506 3.134 3.808 . 0 0 "[ . 1 . 2]" 1
548 1 40 GLU H 1 44 LEU HA . . 5.110 3.499 3.169 4.107 . 0 0 "[ . 1 . 2]" 1
549 1 40 GLU HA 1 40 GLU HG3 . . 4.000 2.766 2.512 3.745 . 0 0 "[ . 1 . 2]" 1
550 1 40 GLU HG2 1 41 GLY HA3 . . 4.920 3.864 3.363 5.068 0.148 3 0 "[ . 1 . 2]" 1
551 1 40 GLU HG2 1 42 ASN H . . 5.260 4.909 4.368 5.422 0.162 5 0 "[ . 1 . 2]" 1
552 1 41 GLY HA2 1 42 ASN H . . 3.540 3.352 3.253 3.404 . 0 0 "[ . 1 . 2]" 1
553 1 41 GLY HA2 1 43 VAL H . . 4.770 4.628 4.458 4.830 0.060 19 0 "[ . 1 . 2]" 1
554 1 41 GLY HA3 1 42 ASN H . . 3.140 2.119 2.043 2.175 . 0 0 "[ . 1 . 2]" 1
555 1 41 GLY HA3 1 43 VAL H . . 4.340 3.650 3.432 3.799 . 0 0 "[ . 1 . 2]" 1
556 1 42 ASN H 1 42 ASN QB . . 3.900 2.954 2.812 3.141 . 0 0 "[ . 1 . 2]" 1
557 1 42 ASN H 1 42 ASN HD21 . . 5.080 4.454 4.237 4.745 . 0 0 "[ . 1 . 2]" 1
558 1 42 ASN H 1 43 VAL H . . 3.390 2.263 1.990 2.576 . 0 0 "[ . 1 . 2]" 1
559 1 42 ASN H 1 43 VAL HB . . 4.720 4.177 3.917 4.448 . 0 0 "[ . 1 . 2]" 1
560 1 42 ASN QB 1 43 VAL H . . 4.870 4.011 3.964 4.046 . 0 0 "[ . 1 . 2]" 1
561 1 42 ASN QB 1 64 VAL H . . 4.480 3.319 2.736 3.631 . 0 0 "[ . 1 . 2]" 1
562 1 42 ASN QB 1 64 VAL HB . . 4.940 2.685 2.111 4.888 . 0 0 "[ . 1 . 2]" 1
563 1 42 ASN HD21 1 63 THR HB . . 5.250 5.080 4.381 5.454 0.204 16 0 "[ . 1 . 2]" 1
564 1 42 ASN HD21 1 64 VAL H . . 5.230 4.440 4.028 4.811 . 0 0 "[ . 1 . 2]" 1
565 1 42 ASN HD21 1 64 VAL HB . . 5.500 5.422 5.014 7.055 1.555 13 2 "[ . 1 + . - 2]" 1
566 1 42 ASN HD21 1 65 GLU HA . . 4.060 3.765 3.319 4.170 0.110 14 0 "[ . 1 . 2]" 1
567 1 42 ASN HD21 1 65 GLU HG2 . . 5.150 3.407 2.801 4.211 . 0 0 "[ . 1 . 2]" 1
568 1 42 ASN HD21 1 92 ALA MB . . 4.030 4.294 4.132 4.362 0.332 11 0 "[ . 1 . 2]" 1
569 1 43 VAL H 1 43 VAL HB . . 3.210 2.686 2.592 2.778 . 0 0 "[ . 1 . 2]" 1
570 1 43 VAL H 1 44 LEU H . . 4.940 4.212 4.107 4.351 . 0 0 "[ . 1 . 2]" 1
571 1 43 VAL H 1 44 LEU HG . . 5.500 4.608 4.262 5.355 . 0 0 "[ . 1 . 2]" 1
572 1 43 VAL HB 1 44 LEU H . . 5.350 4.180 4.095 4.238 . 0 0 "[ . 1 . 2]" 1
573 1 43 VAL HB 1 44 LEU HA . . 5.470 4.789 4.622 4.934 . 0 0 "[ . 1 . 2]" 1
574 1 44 LEU H 1 45 LYS H . . 5.500 4.384 4.264 4.471 . 0 0 "[ . 1 . 2]" 1
575 1 44 LEU H 1 46 TYR QE . . 5.170 5.028 4.921 5.151 . 0 0 "[ . 1 . 2]" 1
576 1 44 LEU H 1 62 VAL H . . 4.110 3.230 3.076 3.430 . 0 0 "[ . 1 . 2]" 1
577 1 44 LEU H 1 62 VAL HB . . 4.710 3.763 3.636 3.890 . 0 0 "[ . 1 . 2]" 1
578 1 44 LEU H 1 64 VAL H . . 5.500 4.263 3.974 4.472 . 0 0 "[ . 1 . 2]" 1
579 1 44 LEU HA 1 45 LYS QD . . 5.500 5.512 5.307 5.735 0.235 19 0 "[ . 1 . 2]" 1
580 1 44 LEU HA 1 46 TYR QE . . 4.480 4.332 4.164 4.487 0.007 8 0 "[ . 1 . 2]" 1
581 1 44 LEU HB2 1 45 LYS H . . 5.310 4.061 3.920 4.203 . 0 0 "[ . 1 . 2]" 1
582 1 44 LEU HB2 1 46 TYR QE . . 3.620 2.832 2.644 3.203 . 0 0 "[ . 1 . 2]" 1
583 1 44 LEU HB2 1 62 VAL H . . 4.360 3.325 3.155 3.673 . 0 0 "[ . 1 . 2]" 1
584 1 44 LEU HB2 1 62 VAL HB . . 4.040 2.542 2.214 2.768 . 0 0 "[ . 1 . 2]" 1
585 1 44 LEU HB3 1 46 TYR QE . . 3.540 2.115 2.020 2.304 . 0 0 "[ . 1 . 2]" 1
586 1 44 LEU HB3 1 62 VAL H . . 4.650 4.605 4.248 4.689 0.039 19 0 "[ . 1 . 2]" 1
587 1 44 LEU HB3 1 62 VAL HB . . 4.580 4.092 3.694 4.385 . 0 0 "[ . 1 . 2]" 1
588 1 44 LEU HG 1 45 LYS H . . 5.500 5.009 4.130 5.476 . 0 0 "[ . 1 . 2]" 1
589 1 45 LYS H 1 45 LYS QD . . 5.430 4.286 4.206 4.442 . 0 0 "[ . 1 . 2]" 1
590 1 45 LYS H 1 45 LYS HG2 . . 5.060 3.616 3.108 4.830 . 0 0 "[ . 1 . 2]" 1
591 1 45 LYS H 1 45 LYS HG3 . . 5.060 4.368 4.107 4.844 . 0 0 "[ . 1 . 2]" 1
592 1 45 LYS H 1 46 TYR H . . 4.600 4.339 4.268 4.407 . 0 0 "[ . 1 . 2]" 1
593 1 45 LYS HA 1 45 LYS QE . . 5.340 3.532 2.970 4.095 . 0 0 "[ . 1 . 2]" 1
594 1 45 LYS HA 1 62 VAL H . . 4.040 3.529 3.247 3.758 . 0 0 "[ . 1 . 2]" 1
595 1 45 LYS QB 1 45 LYS QD . . 2.890 2.532 2.249 2.800 . 0 0 "[ . 1 . 2]" 1
596 1 45 LYS QB 1 45 LYS QE . . 4.370 2.956 1.915 3.915 . 0 0 "[ . 1 . 2]" 1
597 1 45 LYS QB 1 46 TYR H . . 4.100 3.366 3.207 3.784 . 0 0 "[ . 1 . 2]" 1
598 1 45 LYS HB2 1 45 LYS QD . . 3.660 3.282 2.446 3.547 . 0 0 "[ . 1 . 2]" 1
599 1 45 LYS HB2 1 46 TYR H . . 4.830 4.364 4.282 4.503 . 0 0 "[ . 1 . 2]" 1
600 1 45 LYS HB3 1 45 LYS QD . . 3.660 2.742 2.291 3.308 . 0 0 "[ . 1 . 2]" 1
601 1 45 LYS HB3 1 46 TYR H . . 4.830 3.517 3.313 4.159 . 0 0 "[ . 1 . 2]" 1
602 1 45 LYS QD 1 46 TYR H . . 4.560 3.001 1.993 3.408 . 0 0 "[ . 1 . 2]" 1
603 1 45 LYS QD 1 61 ILE H . . 4.160 4.248 4.160 4.322 0.162 7 0 "[ . 1 . 2]" 1
604 1 45 LYS QE 1 45 LYS QG . . 3.310 2.400 2.130 2.843 . 0 0 "[ . 1 . 2]" 1
605 1 45 LYS QG 1 46 TYR H . . 4.550 4.170 3.075 4.466 . 0 0 "[ . 1 . 2]" 1
606 1 46 TYR H 1 46 TYR HB2 . . 4.110 2.939 2.875 3.014 . 0 0 "[ . 1 . 2]" 1
607 1 46 TYR H 1 46 TYR QD . . 4.110 3.266 3.166 3.305 . 0 0 "[ . 1 . 2]" 1
608 1 46 TYR H 1 46 TYR QE . . 5.140 4.543 4.435 4.604 . 0 0 "[ . 1 . 2]" 1
609 1 46 TYR H 1 47 GLU HA . . 5.500 4.933 4.705 5.046 . 0 0 "[ . 1 . 2]" 1
610 1 46 TYR H 1 59 SER QB . . 5.450 4.444 4.234 5.474 0.024 1 0 "[ . 1 . 2]" 1
611 1 46 TYR H 1 60 ALA H . . 4.620 3.054 2.922 3.168 . 0 0 "[ . 1 . 2]" 1
612 1 46 TYR H 1 61 ILE HB . . 5.150 4.579 4.300 4.861 . 0 0 "[ . 1 . 2]" 1
613 1 46 TYR H 1 62 VAL H . . 5.120 4.366 4.216 4.501 . 0 0 "[ . 1 . 2]" 1
614 1 46 TYR HA 1 46 TYR QD . . 4.230 2.564 2.489 2.674 . 0 0 "[ . 1 . 2]" 1
615 1 46 TYR HA 1 47 GLU H . . 3.350 2.218 2.176 2.309 . 0 0 "[ . 1 . 2]" 1
616 1 46 TYR HB2 1 60 ALA H . . 3.900 2.736 2.534 2.912 . 0 0 "[ . 1 . 2]" 1
617 1 46 TYR HB2 1 60 ALA MB . . 4.610 3.031 2.773 3.190 . 0 0 "[ . 1 . 2]" 1
618 1 46 TYR HB3 1 47 GLU H . . 3.890 3.236 3.057 3.515 . 0 0 "[ . 1 . 2]" 1
619 1 46 TYR HB3 1 60 ALA H . . 4.790 4.333 4.163 4.502 . 0 0 "[ . 1 . 2]" 1
620 1 46 TYR QE 1 62 VAL H . . 4.780 3.672 3.375 3.888 . 0 0 "[ . 1 . 2]" 1
621 1 46 TYR QE 1 62 VAL HB . . 3.500 2.432 2.256 2.632 . 0 0 "[ . 1 . 2]" 1
622 1 47 GLU H 1 47 GLU HG2 . . 5.120 3.287 2.407 4.389 . 0 0 "[ . 1 . 2]" 1
623 1 47 GLU H 1 47 GLU QG . . 4.400 2.815 2.329 3.341 . 0 0 "[ . 1 . 2]" 1
624 1 47 GLU H 1 47 GLU HG3 . . 5.120 3.307 2.976 4.522 . 0 0 "[ . 1 . 2]" 1
625 1 47 GLU H 1 48 ASN H . . 4.740 4.353 4.317 4.385 . 0 0 "[ . 1 . 2]" 1
626 1 47 GLU H 1 49 GLY H . . 5.080 5.082 4.923 5.141 0.061 20 0 "[ . 1 . 2]" 1
627 1 47 GLU H 1 59 SER QB . . 5.320 4.357 4.186 5.069 . 0 0 "[ . 1 . 2]" 1
628 1 47 GLU HA 1 48 ASN H . . 3.410 2.467 2.311 2.554 . 0 0 "[ . 1 . 2]" 1
629 1 47 GLU HA 1 48 ASN HA . . 4.960 4.583 4.433 4.682 . 0 0 "[ . 1 . 2]" 1
630 1 47 GLU HA 1 49 GLY H . . 4.550 3.576 3.402 3.912 . 0 0 "[ . 1 . 2]" 1
631 1 47 GLU HA 1 59 SER QB . . 4.290 1.970 1.833 2.501 . 0 0 "[ . 1 . 2]" 1
632 1 47 GLU QB 1 47 GLU QG . . 2.230 2.074 2.011 2.101 . 0 0 "[ . 1 . 2]" 1
633 1 47 GLU QB 1 48 ASN H . . 3.510 2.120 2.020 2.341 . 0 0 "[ . 1 . 2]" 1
634 1 47 GLU QB 1 48 ASN HA . . 5.340 3.889 3.593 4.062 . 0 0 "[ . 1 . 2]" 1
635 1 47 GLU QB 1 48 ASN HB2 . . 4.940 3.639 2.620 4.500 . 0 0 "[ . 1 . 2]" 1
636 1 47 GLU QB 1 48 ASN HD21 . . 5.270 4.106 3.361 5.176 . 0 0 "[ . 1 . 2]" 1
637 1 47 GLU QB 1 49 GLY H . . 4.740 4.414 4.279 4.662 . 0 0 "[ . 1 . 2]" 1
638 1 47 GLU HB2 1 49 GLY H . . 5.500 5.008 4.472 5.571 0.071 4 0 "[ . 1 . 2]" 1
639 1 47 GLU HB3 1 49 GLY H . . 5.500 5.142 4.625 5.555 0.055 13 0 "[ . 1 . 2]" 1
640 1 48 ASN H 1 48 ASN HB2 . . 3.980 3.403 2.837 3.655 . 0 0 "[ . 1 . 2]" 1
641 1 48 ASN H 1 48 ASN HD21 . . 5.500 4.185 3.732 5.075 . 0 0 "[ . 1 . 2]" 1
642 1 48 ASN H 1 49 GLY H . . 3.800 2.687 2.594 2.858 . 0 0 "[ . 1 . 2]" 1
643 1 48 ASN H 1 57 HIS HB2 . . 4.490 3.060 2.698 3.497 . 0 0 "[ . 1 . 2]" 1
644 1 48 ASN H 1 57 HIS HB3 . . 5.500 3.829 3.568 4.127 . 0 0 "[ . 1 . 2]" 1
645 1 48 ASN H 1 59 SER HA . . 5.500 4.142 3.714 4.441 . 0 0 "[ . 1 . 2]" 1
646 1 48 ASN H 1 59 SER QB . . 4.230 2.841 2.374 3.265 . 0 0 "[ . 1 . 2]" 1
647 1 48 ASN HA 1 57 HIS HB2 . . 4.530 2.181 1.981 2.373 . 0 0 "[ . 1 . 2]" 1
648 1 48 ASN HA 1 57 HIS HB3 . . 4.310 2.728 2.289 3.156 . 0 0 "[ . 1 . 2]" 1
649 1 48 ASN HA 1 57 HIS HD2 . . 4.190 3.224 2.587 3.710 . 0 0 "[ . 1 . 2]" 1
650 1 48 ASN HB2 1 48 ASN HD21 . . 3.550 3.861 3.440 4.061 0.511 7 2 "[ . + 1 - 2]" 1
651 1 48 ASN HB2 1 49 GLY H . . 4.860 4.277 4.110 4.510 . 0 0 "[ . 1 . 2]" 1
652 1 48 ASN HD21 1 49 GLY H . . 5.350 6.105 5.861 6.364 1.014 17 20 [***-************+***] 1
653 1 48 ASN HD21 1 56 PRO HB2 . . 5.500 5.101 4.337 5.773 0.273 7 0 "[ . 1 . 2]" 1
654 1 48 ASN HD21 1 56 PRO HG2 . . 5.300 5.273 4.908 5.329 0.029 11 0 "[ . 1 . 2]" 1
655 1 48 ASN HD21 1 57 HIS HD2 . . 3.070 3.642 2.325 4.388 1.318 3 12 "[**+ .*- *** **** 2]" 1
656 1 49 GLY H 1 50 GLN H . . 4.570 4.076 3.986 4.222 . 0 0 "[ . 1 . 2]" 1
657 1 49 GLY H 1 57 HIS HA . . 5.180 4.857 4.655 5.144 . 0 0 "[ . 1 . 2]" 1
658 1 49 GLY H 1 57 HIS HB2 . . 5.500 3.265 2.896 3.738 . 0 0 "[ . 1 . 2]" 1
659 1 49 GLY H 1 57 HIS HB3 . . 3.930 2.617 2.412 2.816 . 0 0 "[ . 1 . 2]" 1
660 1 49 GLY H 1 58 ARG H . . 4.820 3.593 3.310 3.861 . 0 0 "[ . 1 . 2]" 1
661 1 49 GLY H 1 58 ARG HB2 . . 4.930 4.124 3.802 4.366 . 0 0 "[ . 1 . 2]" 1
662 1 49 GLY H 1 59 SER HA . . 4.730 3.818 3.619 4.008 . 0 0 "[ . 1 . 2]" 1
663 1 49 GLY HA2 1 50 GLN HA . . 4.840 4.366 4.238 4.458 . 0 0 "[ . 1 . 2]" 1
664 1 49 GLY HA2 1 58 ARG H . . 4.780 4.934 4.595 5.072 0.292 16 0 "[ . 1 . 2]" 1
665 1 49 GLY HA3 1 58 ARG H . . 4.520 3.675 3.427 3.803 . 0 0 "[ . 1 . 2]" 1
666 1 49 GLY HA3 1 58 ARG HB2 . . 5.010 3.213 2.994 3.480 . 0 0 "[ . 1 . 2]" 1
667 1 49 GLY HA3 1 58 ARG HB3 . . 5.410 4.344 4.054 4.527 . 0 0 "[ . 1 . 2]" 1
668 1 49 GLY HA3 1 59 SER H . . 5.500 5.455 5.245 5.558 0.058 8 0 "[ . 1 . 2]" 1
669 1 50 GLN H 1 50 GLN HB2 . . 3.620 2.438 2.240 2.669 . 0 0 "[ . 1 . 2]" 1
670 1 50 GLN H 1 50 GLN HB3 . . 3.420 2.569 2.392 2.686 . 0 0 "[ . 1 . 2]" 1
671 1 50 GLN H 1 50 GLN HE21 . . 5.450 6.042 5.268 6.382 0.932 16 14 "[ ***.*-* * ** *+** *]" 1
672 1 50 GLN H 1 50 GLN QG . . 4.130 3.992 3.892 4.086 . 0 0 "[ . 1 . 2]" 1
673 1 50 GLN H 1 51 SER H . . 5.500 4.574 4.533 4.636 . 0 0 "[ . 1 . 2]" 1
674 1 50 GLN H 1 57 HIS HB3 . . 4.830 4.231 3.877 4.561 . 0 0 "[ . 1 . 2]" 1
675 1 50 GLN H 1 58 ARG H . . 4.560 3.407 3.296 3.521 . 0 0 "[ . 1 . 2]" 1
676 1 50 GLN H 1 58 ARG HA . . 5.500 5.529 5.404 5.570 0.070 11 0 "[ . 1 . 2]" 1
677 1 50 GLN H 1 58 ARG HB2 . . 4.540 2.887 2.770 2.998 . 0 0 "[ . 1 . 2]" 1
678 1 50 GLN H 1 58 ARG HB3 . . 5.290 4.514 4.350 4.698 . 0 0 "[ . 1 . 2]" 1
679 1 50 GLN H 1 58 ARG QD . . 4.130 3.766 3.472 4.124 . 0 0 "[ . 1 . 2]" 1
680 1 50 GLN HB3 1 58 ARG QD . . 5.500 3.080 2.231 3.647 . 0 0 "[ . 1 . 2]" 1
681 1 50 GLN HE21 1 51 SER H . . 5.070 4.481 3.995 5.631 0.561 6 2 "[ - .+ 1 . 2]" 1
682 1 50 GLN QG 1 51 SER H . . 5.250 2.873 2.073 3.383 . 0 0 "[ . 1 . 2]" 1
683 1 51 SER H 1 52 CYS H . . 5.320 4.500 4.402 4.596 . 0 0 "[ . 1 . 2]" 1
684 1 51 SER HA 1 57 HIS H . . 4.740 4.573 4.260 4.814 0.074 14 0 "[ . 1 . 2]" 1
685 1 52 CYS CB 1 81 CYS SG . . 3.100 3.032 2.972 3.053 . 0 0 "[ . 1 . 2]" 1
686 1 52 CYS H 1 52 CYS QB . . 3.510 2.683 2.318 2.971 . 0 0 "[ . 1 . 2]" 1
687 1 52 CYS H 1 56 PRO HA . . 5.200 4.526 3.826 5.070 . 0 0 "[ . 1 . 2]" 1
688 1 52 CYS H 1 57 HIS H . . 5.250 3.987 3.711 4.354 . 0 0 "[ . 1 . 2]" 1
689 1 52 CYS H 1 58 ARG H . . 4.740 4.011 3.748 4.242 . 0 0 "[ . 1 . 2]" 1
690 1 52 CYS H 1 58 ARG HA . . 5.400 5.367 5.175 5.453 0.053 3 0 "[ . 1 . 2]" 1
691 1 52 CYS H 1 58 ARG HG3 . . 5.500 4.440 4.161 4.745 . 0 0 "[ . 1 . 2]" 1
692 1 52 CYS QB 1 55 GLY H . . 4.760 3.568 2.638 4.715 . 0 0 "[ . 1 . 2]" 1
693 1 52 CYS QB 1 58 ARG HB3 . . 5.340 4.987 4.549 5.352 0.012 11 0 "[ . 1 . 2]" 1
694 1 52 CYS QB 1 58 ARG HG3 . . 5.340 2.375 1.957 2.628 . 0 0 "[ . 1 . 2]" 1
695 1 52 CYS HB2 1 58 ARG HG2 . . 5.500 4.157 3.012 4.960 . 0 0 "[ . 1 . 2]" 1
696 1 52 CYS HB3 1 58 ARG HG2 . . 5.500 4.008 3.181 5.153 . 0 0 "[ . 1 . 2]" 1
697 1 52 CYS SG 1 81 CYS CB . . 3.100 3.044 2.976 3.108 0.008 6 0 "[ . 1 . 2]" 1
698 1 52 CYS SG 1 81 CYS SG . . 2.100 2.027 2.011 2.039 . 0 0 "[ . 1 . 2]" 1
699 1 53 TRP HA 1 53 TRP HE3 . . 3.690 3.410 2.123 3.821 0.131 5 0 "[ . 1 . 2]" 1
700 1 53 TRP HA 1 55 GLY H . . 4.050 3.704 3.015 4.096 0.046 7 0 "[ . 1 . 2]" 1
701 1 53 TRP QB 1 53 TRP HD1 . . 3.140 2.555 2.501 2.606 . 0 0 "[ . 1 . 2]" 1
702 1 53 TRP QB 1 53 TRP HE3 . . 3.470 2.511 2.379 2.818 . 0 0 "[ . 1 . 2]" 1
703 1 53 TRP QB 1 53 TRP HZ3 . . 4.890 4.764 4.652 4.956 0.066 14 0 "[ . 1 . 2]" 1
704 1 53 TRP HB2 1 53 TRP HD1 . . 3.620 3.711 3.605 3.762 0.142 7 0 "[ . 1 . 2]" 1
705 1 53 TRP HB2 1 54 ASN H . . 5.370 4.066 3.792 4.218 . 0 0 "[ . 1 . 2]" 1
706 1 53 TRP HB3 1 53 TRP HD1 . . 3.620 2.604 2.547 2.657 . 0 0 "[ . 1 . 2]" 1
707 1 53 TRP HB3 1 54 ASN H . . 5.370 3.881 3.722 4.388 . 0 0 "[ . 1 . 2]" 1
708 1 53 TRP HD1 1 54 ASN QB . . 4.490 3.825 3.005 4.512 0.022 2 0 "[ . 1 . 2]" 1
709 1 53 TRP HE1 1 54 ASN QB . . 5.130 3.347 2.739 4.625 . 0 0 "[ . 1 . 2]" 1
710 1 53 TRP HE1 1 54 ASN HD21 . . 5.340 4.582 3.356 5.382 0.042 14 0 "[ . 1 . 2]" 1
711 1 53 TRP HE3 1 54 ASN QB . . 4.950 4.600 3.845 5.054 0.104 14 0 "[ . 1 . 2]" 1
712 1 53 TRP HZ2 1 54 ASN HA . . 4.940 4.939 4.021 5.122 0.182 2 0 "[ . 1 . 2]" 1
713 1 53 TRP HZ2 1 54 ASN QB . . 5.270 3.856 2.912 5.382 0.112 14 0 "[ . 1 . 2]" 1
714 1 54 ASN H 1 55 GLY H . . 3.650 2.456 1.998 3.086 . 0 0 "[ . 1 . 2]" 1
715 1 54 ASN HA 1 80 LYS QG . . 5.500 4.833 4.085 5.530 0.030 8 0 "[ . 1 . 2]" 1
716 1 54 ASN QB 1 55 GLY H . . 4.400 3.539 2.577 4.024 . 0 0 "[ . 1 . 2]" 1
717 1 54 ASN QB 1 80 LYS QG . . 4.530 2.722 1.964 3.817 . 0 0 "[ . 1 . 2]" 1
718 1 54 ASN HB2 1 80 LYS QG . . 5.150 3.405 2.290 4.216 . 0 0 "[ . 1 . 2]" 1
719 1 54 ASN HB3 1 80 LYS QG . . 5.150 3.340 2.123 5.155 0.005 8 0 "[ . 1 . 2]" 1
720 1 55 GLY H 1 56 PRO HA . . 5.500 4.747 4.541 5.307 . 0 0 "[ . 1 . 2]" 1
721 1 55 GLY H 1 56 PRO QD . . 4.290 4.292 4.201 4.344 0.054 10 0 "[ . 1 . 2]" 1
722 1 55 GLY HA2 1 56 PRO QD . . 3.870 2.406 2.093 2.596 . 0 0 "[ . 1 . 2]" 1
723 1 55 GLY HA3 1 56 PRO QD . . 3.870 2.408 2.298 2.694 . 0 0 "[ . 1 . 2]" 1
724 1 56 PRO HA 1 57 HIS HA . . 5.280 4.713 4.559 4.804 . 0 0 "[ . 1 . 2]" 1
725 1 56 PRO HB2 1 57 HIS H . . 3.620 3.081 2.751 3.236 . 0 0 "[ . 1 . 2]" 1
726 1 56 PRO HB2 1 57 HIS HD2 . . 4.350 2.501 2.083 2.983 . 0 0 "[ . 1 . 2]" 1
727 1 56 PRO HG2 1 57 HIS H . . 4.640 2.621 2.262 3.379 . 0 0 "[ . 1 . 2]" 1
728 1 56 PRO HG2 1 57 HIS HD2 . . 4.610 3.843 3.243 4.618 0.008 1 0 "[ . 1 . 2]" 1
729 1 57 HIS H 1 57 HIS HB2 . . 3.410 2.985 2.832 3.059 . 0 0 "[ . 1 . 2]" 1
730 1 57 HIS H 1 57 HIS HD2 . . 4.330 4.040 3.732 4.330 . 0 0 "[ . 1 . 2]" 1
731 1 57 HIS H 1 58 ARG H . . 4.940 4.249 4.178 4.399 . 0 0 "[ . 1 . 2]" 1
732 1 57 HIS HA 1 57 HIS HE1 . . 5.000 5.064 5.032 5.084 0.084 9 0 "[ . 1 . 2]" 1
733 1 57 HIS HA 1 58 ARG H . . 3.350 2.426 2.291 2.641 . 0 0 "[ . 1 . 2]" 1
734 1 57 HIS HB2 1 57 HIS HD2 . . 3.820 2.740 2.665 2.836 . 0 0 "[ . 1 . 2]" 1
735 1 57 HIS HB2 1 58 ARG H . . 4.340 3.644 3.271 3.824 . 0 0 "[ . 1 . 2]" 1
736 1 57 HIS HB2 1 58 ARG HA . . 5.500 4.849 4.605 5.034 . 0 0 "[ . 1 . 2]" 1
737 1 57 HIS HB3 1 57 HIS HE1 . . 4.950 4.773 4.743 4.828 . 0 0 "[ . 1 . 2]" 1
738 1 57 HIS HB3 1 58 ARG H . . 4.000 2.518 2.177 2.750 . 0 0 "[ . 1 . 2]" 1
739 1 57 HIS HB3 1 58 ARG HB2 . . 5.500 4.422 4.134 4.625 . 0 0 "[ . 1 . 2]" 1
740 1 58 ARG H 1 58 ARG HB2 . . 3.850 2.377 2.311 2.425 . 0 0 "[ . 1 . 2]" 1
741 1 58 ARG H 1 58 ARG HB3 . . 4.170 3.595 3.564 3.627 . 0 0 "[ . 1 . 2]" 1
742 1 58 ARG H 1 58 ARG HG2 . . 5.470 3.903 3.752 4.045 . 0 0 "[ . 1 . 2]" 1
743 1 58 ARG H 1 58 ARG HG3 . . 3.840 2.766 2.542 2.976 . 0 0 "[ . 1 . 2]" 1
744 1 58 ARG H 1 59 SER H . . 4.520 4.545 4.528 4.565 0.045 1 0 "[ . 1 . 2]" 1
745 1 58 ARG HA 1 59 SER H . . 3.130 2.316 2.244 2.402 . 0 0 "[ . 1 . 2]" 1
746 1 58 ARG HA 1 81 CYS HB2 . . 4.690 3.666 3.297 3.959 . 0 0 "[ . 1 . 2]" 1
747 1 58 ARG HA 1 81 CYS HB3 . . 4.410 2.177 1.941 2.509 . 0 0 "[ . 1 . 2]" 1
748 1 58 ARG HA 1 83 TYR QE . . 4.210 3.944 3.682 4.235 0.025 17 0 "[ . 1 . 2]" 1
749 1 58 ARG HB2 1 59 SER H . . 4.600 3.711 3.569 3.862 . 0 0 "[ . 1 . 2]" 1
750 1 58 ARG HB3 1 59 SER H . . 4.030 2.355 2.202 2.535 . 0 0 "[ . 1 . 2]" 1
751 1 58 ARG HB3 1 59 SER HA . . 3.950 3.983 3.898 4.022 0.072 3 0 "[ . 1 . 2]" 1
752 1 58 ARG HB3 1 83 TYR QE . . 3.480 2.775 2.453 3.143 . 0 0 "[ . 1 . 2]" 1
753 1 58 ARG QD 1 59 SER H . . 5.010 4.328 4.177 4.472 . 0 0 "[ . 1 . 2]" 1
754 1 58 ARG QD 1 83 TYR QD . . 4.410 4.237 3.928 4.434 0.024 3 0 "[ . 1 . 2]" 1
755 1 58 ARG QD 1 83 TYR QE . . 3.610 2.439 2.157 2.739 . 0 0 "[ . 1 . 2]" 1
756 1 58 ARG HG2 1 59 SER H . . 4.480 3.490 3.261 3.624 . 0 0 "[ . 1 . 2]" 1
757 1 58 ARG HG2 1 81 CYS HA . . 5.490 2.663 2.231 3.114 . 0 0 "[ . 1 . 2]" 1
758 1 58 ARG HG2 1 81 CYS HB2 . . 4.950 4.771 4.274 4.956 0.006 20 0 "[ . 1 . 2]" 1
759 1 58 ARG HG2 1 81 CYS HB3 . . 4.710 3.331 2.760 3.712 . 0 0 "[ . 1 . 2]" 1
760 1 58 ARG HG2 1 83 TYR QD . . 4.330 4.410 4.349 4.451 0.121 15 0 "[ . 1 . 2]" 1
761 1 58 ARG HG2 1 83 TYR QE . . 3.280 2.372 2.195 2.543 . 0 0 "[ . 1 . 2]" 1
762 1 58 ARG HG3 1 59 SER H . . 4.590 4.532 4.381 4.611 0.021 20 0 "[ . 1 . 2]" 1
763 1 58 ARG HG3 1 81 CYS HB2 . . 5.410 5.369 4.787 5.501 0.091 2 0 "[ . 1 . 2]" 1
764 1 58 ARG HG3 1 81 CYS HB3 . . 5.500 3.704 3.083 3.941 . 0 0 "[ . 1 . 2]" 1
765 1 58 ARG HG3 1 83 TYR QE . . 5.500 4.031 3.848 4.256 . 0 0 "[ . 1 . 2]" 1
766 1 59 SER H 1 60 ALA MB . . 5.500 4.193 4.097 4.289 . 0 0 "[ . 1 . 2]" 1
767 1 59 SER H 1 81 CYS HB3 . . 4.610 3.883 3.476 4.211 . 0 0 "[ . 1 . 2]" 1
768 1 59 SER H 1 82 GLU HA . . 3.990 2.806 2.592 2.944 . 0 0 "[ . 1 . 2]" 1
769 1 59 SER H 1 82 GLU HB3 . . 5.500 5.470 5.190 5.603 0.103 18 0 "[ . 1 . 2]" 1
770 1 59 SER H 1 83 TYR H . . 4.770 3.990 3.801 4.177 . 0 0 "[ . 1 . 2]" 1
771 1 59 SER H 1 83 TYR QD . . 4.530 3.309 3.123 3.482 . 0 0 "[ . 1 . 2]" 1
772 1 59 SER H 1 83 TYR QE . . 4.240 3.438 3.208 3.662 . 0 0 "[ . 1 . 2]" 1
773 1 59 SER QB 1 60 ALA H . . 3.670 2.545 2.365 3.443 . 0 0 "[ . 1 . 2]" 1
774 1 60 ALA H 1 61 ILE H . . 4.120 4.150 4.080 4.175 0.055 14 0 "[ . 1 . 2]" 1
775 1 60 ALA H 1 82 GLU QG . . 5.150 4.248 3.809 5.017 . 0 0 "[ . 1 . 2]" 1
776 1 60 ALA HA 1 61 ILE H . . 3.310 2.133 2.054 2.183 . 0 0 "[ . 1 . 2]" 1
777 1 60 ALA HA 1 61 ILE HB . . 5.390 4.525 4.416 4.593 . 0 0 "[ . 1 . 2]" 1
778 1 60 ALA HA 1 82 GLU HA . . 5.350 3.517 3.323 3.740 . 0 0 "[ . 1 . 2]" 1
779 1 60 ALA HA 1 83 TYR H . . 3.860 2.114 1.987 2.248 . 0 0 "[ . 1 . 2]" 1
780 1 60 ALA HA 1 83 TYR HB2 . . 4.760 3.274 3.043 3.473 . 0 0 "[ . 1 . 2]" 1
781 1 60 ALA HA 1 83 TYR HB3 . . 5.420 4.713 4.514 4.900 . 0 0 "[ . 1 . 2]" 1
782 1 60 ALA HA 1 83 TYR QD . . 4.540 3.741 3.640 3.822 . 0 0 "[ . 1 . 2]" 1
783 1 60 ALA HA 1 84 LEU HA . . 5.500 4.158 4.039 4.268 . 0 0 "[ . 1 . 2]" 1
784 1 60 ALA HA 1 85 ILE H . . 5.110 5.125 5.058 5.155 0.045 3 0 "[ . 1 . 2]" 1
785 1 60 ALA MB 1 61 ILE H . . 4.050 2.659 2.559 2.860 . 0 0 "[ . 1 . 2]" 1
786 1 60 ALA MB 1 62 VAL H . . 4.720 4.575 4.302 4.723 0.003 11 0 "[ . 1 . 2]" 1
787 1 60 ALA MB 1 62 VAL HB . . 5.290 4.948 4.864 5.102 . 0 0 "[ . 1 . 2]" 1
788 1 60 ALA MB 1 82 GLU HA . . 5.500 4.203 4.022 4.385 . 0 0 "[ . 1 . 2]" 1
789 1 60 ALA MB 1 83 TYR H . . 4.870 2.955 2.788 3.079 . 0 0 "[ . 1 . 2]" 1
790 1 60 ALA MB 1 83 TYR HB2 . . 4.700 2.371 2.170 2.554 . 0 0 "[ . 1 . 2]" 1
791 1 60 ALA MB 1 83 TYR HB3 . . 5.050 3.776 3.535 3.973 . 0 0 "[ . 1 . 2]" 1
792 1 60 ALA MB 1 83 TYR QD . . 3.860 2.746 2.585 3.046 . 0 0 "[ . 1 . 2]" 1
793 1 60 ALA MB 1 84 LEU HA . . 5.500 3.904 3.761 4.073 . 0 0 "[ . 1 . 2]" 1
794 1 61 ILE H 1 61 ILE HB . . 3.670 3.091 2.940 3.227 . 0 0 "[ . 1 . 2]" 1
795 1 61 ILE H 1 83 TYR H . . 4.600 3.751 3.591 3.911 . 0 0 "[ . 1 . 2]" 1
796 1 61 ILE H 1 83 TYR HB2 . . 4.920 4.276 4.087 4.395 . 0 0 "[ . 1 . 2]" 1
797 1 61 ILE H 1 83 TYR QD . . 5.400 5.449 5.371 5.512 0.112 7 0 "[ . 1 . 2]" 1
798 1 61 ILE H 1 84 LEU HA . . 4.030 2.647 2.535 2.774 . 0 0 "[ . 1 . 2]" 1
799 1 62 VAL H 1 62 VAL HB . . 3.650 2.488 2.391 2.610 . 0 0 "[ . 1 . 2]" 1
800 1 62 VAL H 1 63 THR H . . 4.810 4.308 4.226 4.368 . 0 0 "[ . 1 . 2]" 1
801 1 62 VAL H 1 85 ILE H . . 5.280 4.700 4.576 4.771 . 0 0 "[ . 1 . 2]" 1
802 1 62 VAL HA 1 63 THR H . . 3.150 2.055 2.006 2.090 . 0 0 "[ . 1 . 2]" 1
803 1 62 VAL HA 1 85 ILE H . . 3.840 2.898 2.780 3.011 . 0 0 "[ . 1 . 2]" 1
804 1 62 VAL HA 1 85 ILE HB . . 4.420 2.884 2.620 3.110 . 0 0 "[ . 1 . 2]" 1
805 1 62 VAL HB 1 63 THR H . . 4.840 4.342 4.308 4.372 . 0 0 "[ . 1 . 2]" 1
806 1 63 THR H 1 63 THR HB . . 3.590 3.335 2.716 3.634 0.044 20 0 "[ . 1 . 2]" 1
807 1 63 THR H 1 64 VAL H . . 4.690 4.222 4.144 4.263 . 0 0 "[ . 1 . 2]" 1
808 1 63 THR H 1 85 ILE HB . . 5.480 4.465 4.176 4.638 . 0 0 "[ . 1 . 2]" 1
809 1 63 THR H 1 86 LYS H . . 5.210 4.854 4.675 5.084 . 0 0 "[ . 1 . 2]" 1
810 1 63 THR H 1 87 MET H . . 4.060 3.639 3.470 3.764 . 0 0 "[ . 1 . 2]" 1
811 1 63 THR HA 1 64 VAL H . . 3.410 2.189 2.106 2.268 . 0 0 "[ . 1 . 2]" 1
812 1 63 THR HA 1 64 VAL HB . . 5.500 4.734 4.642 4.828 . 0 0 "[ . 1 . 2]" 1
813 1 63 THR HB 1 64 VAL H . . 4.950 3.786 3.519 4.205 . 0 0 "[ . 1 . 2]" 1
814 1 63 THR HB 1 86 LYS HA . . 4.800 4.033 2.846 4.740 . 0 0 "[ . 1 . 2]" 1
815 1 63 THR HB 1 86 LYS QD . . 5.500 4.397 3.469 5.533 0.033 12 0 "[ . 1 . 2]" 1
816 1 63 THR HB 1 86 LYS QE . . 5.500 4.927 4.148 5.674 0.174 13 0 "[ . 1 . 2]" 1
817 1 63 THR HB 1 87 MET H . . 4.670 4.380 3.631 4.717 0.047 7 0 "[ . 1 . 2]" 1
818 1 64 VAL H 1 64 VAL HB . . 3.860 2.620 2.527 2.974 . 0 0 "[ . 1 . 2]" 1
819 1 64 VAL H 1 65 GLU HG2 . . 5.390 4.992 4.778 5.320 . 0 0 "[ . 1 . 2]" 1
820 1 64 VAL HA 1 65 GLU H . . 3.400 2.137 2.060 2.182 . 0 0 "[ . 1 . 2]" 1
821 1 64 VAL HA 1 87 MET H . . 3.990 2.810 2.468 3.110 . 0 0 "[ . 1 . 2]" 1
822 1 64 VAL HA 1 87 MET HB3 . . 5.080 3.609 3.446 3.812 . 0 0 "[ . 1 . 2]" 1
823 1 64 VAL HA 1 87 MET HG3 . . 5.500 4.585 4.399 4.780 . 0 0 "[ . 1 . 2]" 1
824 1 64 VAL HA 1 88 LYS H . . 5.500 4.300 4.166 4.490 . 0 0 "[ . 1 . 2]" 1
825 1 64 VAL HA 1 88 LYS HA . . 5.050 3.435 3.297 3.596 . 0 0 "[ . 1 . 2]" 1
826 1 64 VAL HA 1 89 SER H . . 5.180 5.006 4.862 5.147 . 0 0 "[ . 1 . 2]" 1
827 1 64 VAL HB 1 92 ALA MB . . 4.340 3.037 2.582 4.314 . 0 0 "[ . 1 . 2]" 1
828 1 65 GLU H 1 65 GLU HB3 . . 3.970 3.730 3.697 3.764 . 0 0 "[ . 1 . 2]" 1
829 1 65 GLU H 1 65 GLU HG2 . . 5.110 3.822 3.720 3.938 . 0 0 "[ . 1 . 2]" 1
830 1 65 GLU H 1 65 GLU HG3 . . 5.270 2.701 2.541 2.764 . 0 0 "[ . 1 . 2]" 1
831 1 65 GLU H 1 66 CYS H . . 4.510 4.362 4.312 4.404 . 0 0 "[ . 1 . 2]" 1
832 1 65 GLU H 1 87 MET H . . 4.570 3.603 3.410 3.855 . 0 0 "[ . 1 . 2]" 1
833 1 65 GLU H 1 87 MET HB2 . . 4.590 4.165 3.959 4.372 . 0 0 "[ . 1 . 2]" 1
834 1 65 GLU H 1 88 LYS H . . 5.350 4.359 4.208 4.447 . 0 0 "[ . 1 . 2]" 1
835 1 65 GLU H 1 88 LYS HA . . 3.870 2.224 2.077 2.337 . 0 0 "[ . 1 . 2]" 1
836 1 65 GLU H 1 88 LYS HB3 . . 5.350 4.165 4.034 4.309 . 0 0 "[ . 1 . 2]" 1
837 1 65 GLU H 1 88 LYS QE . . 5.190 3.935 3.462 4.140 . 0 0 "[ . 1 . 2]" 1
838 1 65 GLU H 1 88 LYS HG2 . . 5.010 4.121 3.957 4.266 . 0 0 "[ . 1 . 2]" 1
839 1 65 GLU H 1 89 SER H . . 4.360 3.895 3.751 4.041 . 0 0 "[ . 1 . 2]" 1
840 1 65 GLU H 1 92 ALA MB . . 4.860 3.630 3.445 3.799 . 0 0 "[ . 1 . 2]" 1
841 1 65 GLU HA 1 66 CYS H . . 3.200 2.613 2.520 2.657 . 0 0 "[ . 1 . 2]" 1
842 1 65 GLU HA 1 88 LYS HA . . 4.410 4.360 4.296 4.423 0.013 20 0 "[ . 1 . 2]" 1
843 1 65 GLU HA 1 88 LYS HD3 . . 5.220 4.299 4.163 4.413 . 0 0 "[ . 1 . 2]" 1
844 1 65 GLU HA 1 89 SER H . . 5.250 4.812 4.718 4.918 . 0 0 "[ . 1 . 2]" 1
845 1 65 GLU HA 1 92 ALA HA . . 5.500 4.934 4.772 5.139 . 0 0 "[ . 1 . 2]" 1
846 1 65 GLU HB2 1 66 CYS H . . 3.830 3.029 2.924 3.106 . 0 0 "[ . 1 . 2]" 1
847 1 65 GLU HB2 1 66 CYS HB2 . . 5.500 5.479 5.335 5.531 0.031 9 0 "[ . 1 . 2]" 1
848 1 65 GLU HB2 1 89 SER H . . 5.320 4.901 4.803 5.137 . 0 0 "[ . 1 . 2]" 1
849 1 65 GLU HB3 1 66 CYS H . . 4.160 1.955 1.879 2.072 . 0 0 "[ . 1 . 2]" 1
850 1 65 GLU HB3 1 66 CYS HB2 . . 5.500 4.352 4.250 4.449 . 0 0 "[ . 1 . 2]" 1
851 1 65 GLU HB3 1 88 LYS HA . . 5.450 4.834 4.731 5.008 . 0 0 "[ . 1 . 2]" 1
852 1 65 GLU HG3 1 66 CYS H . . 4.600 4.621 4.588 4.655 0.055 12 0 "[ . 1 . 2]" 1
853 1 65 GLU HG3 1 87 MET H . . 4.370 4.216 3.872 4.420 0.050 9 0 "[ . 1 . 2]" 1
854 1 66 CYS CB 1 93 CYS SG . . 3.100 3.066 3.047 3.096 . 0 0 "[ . 1 . 2]" 1
855 1 66 CYS H 1 66 CYS HB2 . . 3.420 2.535 2.473 2.603 . 0 0 "[ . 1 . 2]" 1
856 1 66 CYS H 1 66 CYS HB3 . . 3.460 2.359 2.312 2.405 . 0 0 "[ . 1 . 2]" 1
857 1 66 CYS H 1 67 GLY H . . 4.530 4.515 4.481 4.539 0.009 8 0 "[ . 1 . 2]" 1
858 1 66 CYS H 1 88 LYS HA . . 5.450 4.794 4.700 4.876 . 0 0 "[ . 1 . 2]" 1
859 1 66 CYS H 1 88 LYS HB3 . . 4.870 4.959 4.929 5.000 0.130 11 0 "[ . 1 . 2]" 1
860 1 66 CYS H 1 89 SER H . . 4.900 4.708 4.640 4.819 . 0 0 "[ . 1 . 2]" 1
861 1 66 CYS H 1 92 ALA MB . . 4.090 3.645 3.557 3.743 . 0 0 "[ . 1 . 2]" 1
862 1 66 CYS H 1 93 CYS H . . 5.500 5.533 5.451 5.567 0.067 19 0 "[ . 1 . 2]" 1
863 1 66 CYS HA 1 67 GLY H . . 2.820 2.141 2.117 2.178 . 0 0 "[ . 1 . 2]" 1
864 1 66 CYS HA 1 89 SER H . . 4.220 3.496 3.375 3.613 . 0 0 "[ . 1 . 2]" 1
865 1 66 CYS HA 1 89 SER QB . . 5.430 4.932 4.632 5.136 . 0 0 "[ . 1 . 2]" 1
866 1 66 CYS HA 1 92 ALA MB . . 3.910 3.050 2.950 3.136 . 0 0 "[ . 1 . 2]" 1
867 1 66 CYS HA 1 93 CYS H . . 3.900 3.469 3.371 3.529 . 0 0 "[ . 1 . 2]" 1
868 1 66 CYS HA 1 93 CYS HA . . 4.570 2.763 2.359 3.009 . 0 0 "[ . 1 . 2]" 1
869 1 66 CYS HA 1 93 CYS HB3 . . 5.500 3.783 3.580 3.906 . 0 0 "[ . 1 . 2]" 1
870 1 66 CYS HA 1 94 SER H . . 5.230 4.868 4.353 5.178 . 0 0 "[ . 1 . 2]" 1
871 1 66 CYS HB2 1 67 GLY H . . 4.540 4.186 4.136 4.238 . 0 0 "[ . 1 . 2]" 1
872 1 66 CYS HB2 1 92 ALA MB . . 5.190 4.487 4.383 4.660 . 0 0 "[ . 1 . 2]" 1
873 1 66 CYS HB2 1 93 CYS H . . 5.380 4.518 4.430 4.629 . 0 0 "[ . 1 . 2]" 1
874 1 66 CYS HB2 1 93 CYS HA . . 4.030 2.014 1.873 2.117 . 0 0 "[ . 1 . 2]" 1
875 1 66 CYS HB2 1 94 SER H . . 5.500 3.386 2.680 3.804 . 0 0 "[ . 1 . 2]" 1
876 1 66 CYS HB3 1 67 GLY H . . 4.690 4.217 4.091 4.288 . 0 0 "[ . 1 . 2]" 1
877 1 66 CYS HB3 1 92 ALA MB . . 5.030 5.140 5.092 5.206 0.176 6 0 "[ . 1 . 2]" 1
878 1 66 CYS HB3 1 93 CYS HA . . 3.820 3.733 3.500 3.857 0.037 1 0 "[ . 1 . 2]" 1
879 1 66 CYS HB3 1 93 CYS HB3 . . 5.440 5.433 5.396 5.469 0.029 20 0 "[ . 1 . 2]" 1
880 1 66 CYS SG 1 93 CYS CB . . 3.100 3.000 2.988 3.022 . 0 0 "[ . 1 . 2]" 1
881 1 66 CYS SG 1 93 CYS SG . . 2.100 2.030 2.024 2.035 . 0 0 "[ . 1 . 2]" 1
882 1 67 GLY H 1 68 VAL H . . 4.470 4.306 4.244 4.357 . 0 0 "[ . 1 . 2]" 1
883 1 67 GLY H 1 68 VAL HA . . 5.300 4.679 4.509 4.823 . 0 0 "[ . 1 . 2]" 1
884 1 67 GLY H 1 69 GLU H . . 5.250 5.140 4.954 5.257 0.007 15 0 "[ . 1 . 2]" 1
885 1 67 GLY H 1 88 LYS HB2 . . 5.050 4.924 4.802 5.072 0.022 4 0 "[ . 1 . 2]" 1
886 1 67 GLY H 1 88 LYS HB3 . . 4.650 3.625 3.517 3.798 . 0 0 "[ . 1 . 2]" 1
887 1 67 GLY H 1 89 SER H . . 3.770 2.909 2.733 3.091 . 0 0 "[ . 1 . 2]" 1
888 1 67 GLY H 1 89 SER HA . . 4.830 4.212 3.957 4.453 . 0 0 "[ . 1 . 2]" 1
889 1 67 GLY H 1 90 PRO HA . . 3.600 2.839 2.724 2.957 . 0 0 "[ . 1 . 2]" 1
890 1 67 GLY H 1 90 PRO HB3 . . 5.420 4.739 4.538 4.950 . 0 0 "[ . 1 . 2]" 1
891 1 67 GLY H 1 90 PRO HD3 . . 5.130 4.551 4.246 4.856 . 0 0 "[ . 1 . 2]" 1
892 1 67 GLY H 1 92 ALA H . . 4.160 4.219 4.150 4.262 0.102 14 0 "[ . 1 . 2]" 1
893 1 67 GLY H 1 92 ALA MB . . 4.160 3.994 3.824 4.175 0.015 14 0 "[ . 1 . 2]" 1
894 1 67 GLY H 1 93 CYS H . . 4.430 4.423 4.153 4.524 0.094 20 0 "[ . 1 . 2]" 1
895 1 67 GLY H 1 93 CYS HA . . 4.820 4.602 4.269 4.837 0.017 17 0 "[ . 1 . 2]" 1
896 1 67 GLY HA2 1 68 VAL H . . 3.400 2.548 2.467 2.592 . 0 0 "[ . 1 . 2]" 1
897 1 67 GLY HA2 1 68 VAL HA . . 4.930 4.321 4.281 4.380 . 0 0 "[ . 1 . 2]" 1
898 1 67 GLY HA2 1 69 GLU H . . 5.210 4.317 4.139 4.545 . 0 0 "[ . 1 . 2]" 1
899 1 67 GLY HA2 1 88 LYS HB2 . . 5.310 3.966 3.754 4.287 . 0 0 "[ . 1 . 2]" 1
900 1 67 GLY HA2 1 88 LYS HB3 . . 4.410 3.136 2.906 3.374 . 0 0 "[ . 1 . 2]" 1
901 1 67 GLY HA2 1 88 LYS HD2 . . 4.970 3.691 3.527 3.905 . 0 0 "[ . 1 . 2]" 1
902 1 67 GLY HA2 1 89 SER H . . 5.310 4.311 4.075 4.546 . 0 0 "[ . 1 . 2]" 1
903 1 67 GLY HA3 1 68 VAL H . . 3.550 2.504 2.444 2.550 . 0 0 "[ . 1 . 2]" 1
904 1 67 GLY HA3 1 69 GLU H . . 4.230 3.361 3.224 3.560 . 0 0 "[ . 1 . 2]" 1
905 1 67 GLY HA3 1 88 LYS HB2 . . 4.730 2.602 2.422 2.805 . 0 0 "[ . 1 . 2]" 1
906 1 67 GLY HA3 1 88 LYS HB3 . . 4.170 1.983 1.867 2.182 . 0 0 "[ . 1 . 2]" 1
907 1 67 GLY HA3 1 88 LYS HD2 . . 4.630 3.589 3.370 3.793 . 0 0 "[ . 1 . 2]" 1
908 1 67 GLY HA3 1 88 LYS HG2 . . 5.500 4.634 4.459 4.888 . 0 0 "[ . 1 . 2]" 1
909 1 67 GLY HA3 1 88 LYS HG3 . . 5.500 3.737 3.447 4.082 . 0 0 "[ . 1 . 2]" 1
910 1 67 GLY HA3 1 89 SER H . . 4.950 2.943 2.735 3.158 . 0 0 "[ . 1 . 2]" 1
911 1 68 VAL H 1 68 VAL HB . . 3.640 2.531 2.477 2.575 . 0 0 "[ . 1 . 2]" 1
912 1 68 VAL H 1 69 GLU H . . 3.120 2.180 2.019 2.396 . 0 0 "[ . 1 . 2]" 1
913 1 68 VAL H 1 88 LYS HB2 . . 5.170 4.080 3.742 4.381 . 0 0 "[ . 1 . 2]" 1
914 1 68 VAL H 1 88 LYS HB3 . . 5.060 4.286 4.092 4.482 . 0 0 "[ . 1 . 2]" 1
915 1 68 VAL H 1 90 PRO HD3 . . 5.500 4.525 4.294 4.698 . 0 0 "[ . 1 . 2]" 1
916 1 68 VAL HA 1 90 PRO HA . . 5.070 4.036 3.448 4.555 . 0 0 "[ . 1 . 2]" 1
917 1 68 VAL HA 1 90 PRO HB3 . . 5.020 3.238 2.834 3.629 . 0 0 "[ . 1 . 2]" 1
918 1 68 VAL HA 1 90 PRO QG . . 4.940 4.335 4.043 4.710 . 0 0 "[ . 1 . 2]" 1
919 1 68 VAL HB 1 69 GLU H . . 3.480 2.808 2.646 3.093 . 0 0 "[ . 1 . 2]" 1
920 1 69 GLU H 1 69 GLU HB2 . . 3.890 3.342 3.221 3.876 . 0 0 "[ . 1 . 2]" 1
921 1 69 GLU H 1 69 GLU QB . . 3.360 2.715 2.546 3.117 . 0 0 "[ . 1 . 2]" 1
922 1 69 GLU H 1 69 GLU HB3 . . 3.890 2.873 2.668 3.284 . 0 0 "[ . 1 . 2]" 1
923 1 69 GLU H 1 69 GLU QG . . 4.790 4.013 2.347 4.218 . 0 0 "[ . 1 . 2]" 1
924 1 69 GLU H 1 70 ASN H . . 4.420 4.257 4.166 4.321 . 0 0 "[ . 1 . 2]" 1
925 1 69 GLU H 1 70 ASN HA . . 5.500 4.782 4.586 4.916 . 0 0 "[ . 1 . 2]" 1
926 1 69 GLU H 1 88 LYS HB3 . . 5.230 4.787 4.592 4.914 . 0 0 "[ . 1 . 2]" 1
927 1 69 GLU H 1 89 SER H . . 5.260 5.211 4.978 5.289 0.029 9 0 "[ . 1 . 2]" 1
928 1 69 GLU H 1 89 SER HA . . 4.920 3.880 3.450 4.105 . 0 0 "[ . 1 . 2]" 1
929 1 69 GLU H 1 90 PRO HD3 . . 4.250 3.351 3.162 3.496 . 0 0 "[ . 1 . 2]" 1
930 1 69 GLU HA 1 70 ASN H . . 2.980 2.155 1.870 2.362 . 0 0 "[ . 1 . 2]" 1
931 1 69 GLU HA 1 70 ASN HA . . 5.010 4.218 3.939 4.402 . 0 0 "[ . 1 . 2]" 1
932 1 69 GLU HA 1 70 ASN HD21 . . 5.500 5.565 5.330 6.070 0.570 2 2 "[ +- . 1 . 2]" 1
933 1 69 GLU HA 1 89 SER HA . . 4.820 3.547 2.670 4.169 . 0 0 "[ . 1 . 2]" 1
934 1 69 GLU HA 1 90 PRO HD3 . . 4.460 2.321 2.000 2.722 . 0 0 "[ . 1 . 2]" 1
935 1 69 GLU HA 1 90 PRO QG . . 5.340 3.331 3.062 3.799 . 0 0 "[ . 1 . 2]" 1
936 1 69 GLU QB 1 69 GLU QG . . 2.310 2.075 2.004 2.092 . 0 0 "[ . 1 . 2]" 1
937 1 69 GLU QB 1 70 ASN H . . 3.440 3.334 2.478 3.473 0.033 13 0 "[ . 1 . 2]" 1
938 1 69 GLU HB2 1 70 ASN H . . 4.110 3.809 2.512 3.961 . 0 0 "[ . 1 . 2]" 1
939 1 69 GLU HB3 1 70 ASN H . . 4.110 3.727 3.529 3.921 . 0 0 "[ . 1 . 2]" 1
940 1 69 GLU QG 1 70 ASN H . . 3.930 2.190 1.874 3.542 . 0 0 "[ . 1 . 2]" 1
941 1 69 GLU QG 1 70 ASN HD21 . . 5.340 4.584 3.038 6.059 0.719 2 2 "[ +- . 1 . 2]" 1
942 1 69 GLU QG 1 71 GLU H . . 4.700 4.454 3.721 4.727 0.027 3 0 "[ . 1 . 2]" 1
943 1 69 GLU QG 1 89 SER HA . . 4.920 4.929 4.499 5.053 0.133 19 0 "[ . 1 . 2]" 1
944 1 70 ASN H 1 70 ASN QB . . 3.100 2.568 2.240 2.873 . 0 0 "[ . 1 . 2]" 1
945 1 70 ASN H 1 70 ASN HD21 . . 4.540 4.005 3.498 4.571 0.031 2 0 "[ . 1 . 2]" 1
946 1 70 ASN H 1 89 SER HA . . 4.600 3.578 3.334 3.828 . 0 0 "[ . 1 . 2]" 1
947 1 70 ASN H 1 90 PRO HD3 . . 4.960 3.650 3.108 4.240 . 0 0 "[ . 1 . 2]" 1
948 1 70 ASN HA 1 71 GLU H . . 3.090 2.098 2.009 2.204 . 0 0 "[ . 1 . 2]" 1
949 1 70 ASN HA 1 71 GLU HA . . 4.970 4.365 4.294 4.398 . 0 0 "[ . 1 . 2]" 1
950 1 70 ASN HA 1 87 MET ME . . 4.510 3.456 3.141 3.823 . 0 0 "[ . 1 . 2]" 1
951 1 70 ASN HA 1 88 LYS H . . 5.000 3.705 3.401 4.122 . 0 0 "[ . 1 . 2]" 1
952 1 70 ASN HA 1 89 SER HA . . 4.180 2.898 2.433 3.418 . 0 0 "[ . 1 . 2]" 1
953 1 70 ASN HA 1 90 PRO HD2 . . 5.500 4.306 3.680 4.915 . 0 0 "[ . 1 . 2]" 1
954 1 70 ASN HA 1 90 PRO HD3 . . 5.350 4.673 4.087 5.341 . 0 0 "[ . 1 . 2]" 1
955 1 70 ASN QB 1 71 GLU H . . 3.930 3.567 3.473 3.639 . 0 0 "[ . 1 . 2]" 1
956 1 70 ASN QB 1 87 MET ME . . 4.150 2.826 2.385 3.178 . 0 0 "[ . 1 . 2]" 1
957 1 71 GLU H 1 71 GLU QB . . 3.460 2.529 2.436 2.610 . 0 0 "[ . 1 . 2]" 1
958 1 71 GLU H 1 71 GLU QG . . 4.320 4.099 4.045 4.179 . 0 0 "[ . 1 . 2]" 1
959 1 71 GLU H 1 87 MET HB3 . . 4.150 3.688 3.511 3.977 . 0 0 "[ . 1 . 2]" 1
960 1 71 GLU H 1 87 MET ME . . 4.220 3.422 3.160 3.685 . 0 0 "[ . 1 . 2]" 1
961 1 71 GLU H 1 87 MET HG2 . . 5.460 4.900 4.564 5.104 . 0 0 "[ . 1 . 2]" 1
962 1 71 GLU H 1 88 LYS H . . 3.970 2.575 2.441 2.708 . 0 0 "[ . 1 . 2]" 1
963 1 71 GLU H 1 88 LYS HB2 . . 5.100 3.543 3.237 3.907 . 0 0 "[ . 1 . 2]" 1
964 1 71 GLU H 1 89 SER HA . . 4.650 4.313 3.856 4.684 0.034 5 0 "[ . 1 . 2]" 1
965 1 71 GLU H 1 89 SER QB . . 5.180 4.677 4.076 5.222 0.042 20 0 "[ . 1 . 2]" 1
966 1 71 GLU HA 1 72 ILE H . . 3.080 2.268 2.176 2.320 . 0 0 "[ . 1 . 2]" 1
967 1 71 GLU HA 1 72 ILE HG12 . . 4.750 3.703 3.627 3.784 . 0 0 "[ . 1 . 2]" 1
968 1 71 GLU HA 1 87 MET ME . . 4.600 3.866 3.575 4.097 . 0 0 "[ . 1 . 2]" 1
969 1 71 GLU QB 1 72 ILE H . . 3.800 3.556 3.509 3.710 . 0 0 "[ . 1 . 2]" 1
970 1 71 GLU QB 1 88 LYS H . . 4.100 3.728 3.435 4.047 . 0 0 "[ . 1 . 2]" 1
971 1 71 GLU QG 1 72 ILE H . . 4.130 2.509 2.266 3.326 . 0 0 "[ . 1 . 2]" 1
972 1 72 ILE H 1 72 ILE HB . . 3.830 2.661 2.624 2.721 . 0 0 "[ . 1 . 2]" 1
973 1 72 ILE H 1 72 ILE HG12 . . 3.370 2.196 2.070 2.334 . 0 0 "[ . 1 . 2]" 1
974 1 72 ILE H 1 73 VAL H . . 4.760 4.346 4.250 4.433 . 0 0 "[ . 1 . 2]" 1
975 1 72 ILE H 1 87 MET HA . . 5.500 5.076 4.968 5.270 . 0 0 "[ . 1 . 2]" 1
976 1 72 ILE H 1 87 MET ME . . 4.340 4.027 3.761 4.280 . 0 0 "[ . 1 . 2]" 1
977 1 72 ILE HA 1 73 VAL H . . 3.440 2.121 2.084 2.141 . 0 0 "[ . 1 . 2]" 1
978 1 72 ILE HA 1 73 VAL HA . . 4.610 4.353 4.325 4.372 . 0 0 "[ . 1 . 2]" 1
979 1 72 ILE HA 1 74 SER H . . 4.250 4.081 3.992 4.194 . 0 0 "[ . 1 . 2]" 1
980 1 72 ILE HA 1 87 MET HA . . 4.140 2.927 2.739 3.166 . 0 0 "[ . 1 . 2]" 1
981 1 72 ILE HA 1 87 MET HB3 . . 5.440 3.876 3.664 4.076 . 0 0 "[ . 1 . 2]" 1
982 1 72 ILE HA 1 87 MET ME . . 4.860 3.387 3.112 3.573 . 0 0 "[ . 1 . 2]" 1
983 1 72 ILE HA 1 87 MET HG2 . . 4.310 1.979 1.881 2.095 . 0 0 "[ . 1 . 2]" 1
984 1 72 ILE HA 1 87 MET HG3 . . 4.940 3.472 3.404 3.537 . 0 0 "[ . 1 . 2]" 1
985 1 72 ILE HA 1 88 LYS H . . 4.740 4.383 4.161 4.684 . 0 0 "[ . 1 . 2]" 1
986 1 72 ILE HB 1 74 SER H . . 4.870 4.925 4.891 4.968 0.098 2 0 "[ . 1 . 2]" 1
987 1 72 ILE HG12 1 87 MET ME . . 3.730 3.668 3.433 3.751 0.021 9 0 "[ . 1 . 2]" 1
988 1 73 VAL H 1 73 VAL HB . . 3.260 2.352 2.311 2.393 . 0 0 "[ . 1 . 2]" 1
989 1 73 VAL H 1 74 SER H . . 3.100 2.478 2.383 2.516 . 0 0 "[ . 1 . 2]" 1
990 1 73 VAL H 1 74 SER HA . . 4.940 4.947 4.905 4.976 0.036 2 0 "[ . 1 . 2]" 1
991 1 73 VAL H 1 86 LYS H . . 4.260 4.033 3.907 4.201 . 0 0 "[ . 1 . 2]" 1
992 1 73 VAL H 1 86 LYS QG . . 4.930 4.272 3.768 4.687 . 0 0 "[ . 1 . 2]" 1
993 1 73 VAL H 1 87 MET HA . . 3.600 2.492 2.333 2.651 . 0 0 "[ . 1 . 2]" 1
994 1 73 VAL H 1 87 MET HG2 . . 4.590 3.200 3.073 3.316 . 0 0 "[ . 1 . 2]" 1
995 1 73 VAL H 1 87 MET HG3 . . 4.750 4.007 3.936 4.125 . 0 0 "[ . 1 . 2]" 1
996 1 73 VAL H 1 88 LYS HG2 . . 5.220 4.882 4.781 5.073 . 0 0 "[ . 1 . 2]" 1
997 1 73 VAL HB 1 74 SER H . . 3.170 2.593 2.502 2.717 . 0 0 "[ . 1 . 2]" 1
998 1 73 VAL HB 1 74 SER QB . . 5.420 4.006 3.661 4.260 . 0 0 "[ . 1 . 2]" 1
999 1 73 VAL HB 1 86 LYS H . . 4.620 3.622 3.488 3.828 . 0 0 "[ . 1 . 2]" 1
1000 1 73 VAL HB 1 87 MET HA . . 5.500 3.338 3.061 3.487 . 0 0 "[ . 1 . 2]" 1
1001 1 74 SER H 1 74 SER QB . . 3.810 3.081 2.852 3.289 . 0 0 "[ . 1 . 2]" 1
1002 1 74 SER H 1 75 VAL H . . 4.480 4.278 4.228 4.344 . 0 0 "[ . 1 . 2]" 1
1003 1 74 SER H 1 75 VAL HB . . 5.170 4.893 4.831 4.989 . 0 0 "[ . 1 . 2]" 1
1004 1 74 SER H 1 85 ILE HA . . 4.960 4.111 4.025 4.221 . 0 0 "[ . 1 . 2]" 1
1005 1 74 SER H 1 86 LYS H . . 3.710 2.652 2.489 2.862 . 0 0 "[ . 1 . 2]" 1
1006 1 74 SER H 1 86 LYS HA . . 5.210 4.875 4.665 5.058 . 0 0 "[ . 1 . 2]" 1
1007 1 74 SER H 1 86 LYS HB3 . . 3.630 3.134 2.585 3.641 0.011 13 0 "[ . 1 . 2]" 1
1008 1 74 SER H 1 86 LYS QE . . 5.500 5.323 4.399 5.638 0.138 17 0 "[ . 1 . 2]" 1
1009 1 74 SER H 1 86 LYS QG . . 5.010 4.577 4.085 5.009 . 0 0 "[ . 1 . 2]" 1
1010 1 74 SER H 1 87 MET HG2 . . 5.050 5.012 4.873 5.080 0.030 16 0 "[ . 1 . 2]" 1
1011 1 74 SER H 1 87 MET HG3 . . 5.230 5.202 5.067 5.252 0.022 11 0 "[ . 1 . 2]" 1
1012 1 74 SER HA 1 75 VAL H . . 2.900 2.383 2.318 2.478 . 0 0 "[ . 1 . 2]" 1
1013 1 74 SER QB 1 75 VAL H . . 3.240 2.546 2.346 3.273 0.033 12 0 "[ . 1 . 2]" 1
1014 1 74 SER QB 1 86 LYS H . . 4.890 3.728 2.994 4.312 . 0 0 "[ . 1 . 2]" 1
1015 1 75 VAL H 1 75 VAL HB . . 3.610 3.460 3.437 3.484 . 0 0 "[ . 1 . 2]" 1
1016 1 75 VAL H 1 76 LEU H . . 4.580 3.954 3.849 4.062 . 0 0 "[ . 1 . 2]" 1
1017 1 75 VAL H 1 86 LYS H . . 5.090 4.996 4.812 5.134 0.044 4 0 "[ . 1 . 2]" 1
1018 1 75 VAL HA 1 76 LEU H . . 3.080 2.041 2.002 2.080 . 0 0 "[ . 1 . 2]" 1
1019 1 75 VAL HA 1 76 LEU HB2 . . 4.940 4.229 4.143 4.310 . 0 0 "[ . 1 . 2]" 1
1020 1 75 VAL HA 1 84 LEU H . . 5.430 4.501 4.360 4.620 . 0 0 "[ . 1 . 2]" 1
1021 1 75 VAL HA 1 84 LEU HG . . 5.210 4.670 4.352 5.199 . 0 0 "[ . 1 . 2]" 1
1022 1 75 VAL HA 1 85 ILE H . . 5.210 4.656 4.576 4.724 . 0 0 "[ . 1 . 2]" 1
1023 1 75 VAL HA 1 85 ILE HA . . 5.160 2.298 2.185 2.391 . 0 0 "[ . 1 . 2]" 1
1024 1 75 VAL HA 1 86 LYS H . . 4.350 3.817 3.605 3.985 . 0 0 "[ . 1 . 2]" 1
1025 1 75 VAL HB 1 76 LEU H . . 5.490 4.162 4.076 4.223 . 0 0 "[ . 1 . 2]" 1
1026 1 75 VAL HB 1 85 ILE HG12 . . 5.080 2.043 1.931 2.763 . 0 0 "[ . 1 . 2]" 1
1027 1 76 LEU H 1 76 LEU HB2 . . 3.530 2.884 2.706 3.009 . 0 0 "[ . 1 . 2]" 1
1028 1 76 LEU H 1 76 LEU HG . . 5.440 4.501 4.453 4.551 . 0 0 "[ . 1 . 2]" 1
1029 1 76 LEU H 1 77 GLU H . . 4.410 4.339 4.279 4.419 0.009 4 0 "[ . 1 . 2]" 1
1030 1 76 LEU H 1 83 TYR HA . . 4.790 4.560 4.321 4.790 . 0 0 "[ . 1 . 2]" 1
1031 1 76 LEU H 1 83 TYR HB2 . . 5.260 5.105 4.836 5.309 0.049 17 0 "[ . 1 . 2]" 1
1032 1 76 LEU H 1 83 TYR QD . . 5.270 4.676 4.194 4.969 . 0 0 "[ . 1 . 2]" 1
1033 1 76 LEU H 1 84 LEU H . . 3.910 2.979 2.815 3.136 . 0 0 "[ . 1 . 2]" 1
1034 1 76 LEU H 1 84 LEU HA . . 5.010 4.687 4.601 4.765 . 0 0 "[ . 1 . 2]" 1
1035 1 76 LEU H 1 84 LEU HB2 . . 5.500 4.941 4.859 5.075 . 0 0 "[ . 1 . 2]" 1
1036 1 76 LEU H 1 84 LEU HB3 . . 5.490 5.254 5.024 5.378 . 0 0 "[ . 1 . 2]" 1
1037 1 76 LEU H 1 84 LEU HG . . 4.210 3.162 2.994 3.408 . 0 0 "[ . 1 . 2]" 1
1038 1 76 LEU H 1 85 ILE H . . 4.980 4.815 4.775 4.899 . 0 0 "[ . 1 . 2]" 1
1039 1 76 LEU H 1 85 ILE HA . . 4.000 3.451 3.290 3.622 . 0 0 "[ . 1 . 2]" 1
1040 1 76 LEU HA 1 77 GLU H . . 3.070 2.225 2.166 2.301 . 0 0 "[ . 1 . 2]" 1
1041 1 76 LEU HA 1 84 LEU H . . 4.790 4.731 4.627 4.794 0.004 18 0 "[ . 1 . 2]" 1
1042 1 76 LEU HB2 1 77 GLU H . . 5.500 4.251 4.193 4.304 . 0 0 "[ . 1 . 2]" 1
1043 1 76 LEU HB2 1 84 LEU H . . 5.500 4.852 4.657 4.980 . 0 0 "[ . 1 . 2]" 1
1044 1 76 LEU HB2 1 84 LEU HG . . 3.430 3.425 3.306 3.503 0.073 3 0 "[ . 1 . 2]" 1
1045 1 76 LEU HB3 1 77 GLU H . . 4.260 3.971 3.911 4.062 . 0 0 "[ . 1 . 2]" 1
1046 1 76 LEU HB3 1 84 LEU H . . 5.500 3.438 3.239 3.589 . 0 0 "[ . 1 . 2]" 1
1047 1 76 LEU HG 1 77 GLU H . . 5.500 2.850 2.703 3.070 . 0 0 "[ . 1 . 2]" 1
1048 1 76 LEU HG 1 78 ALA HA . . 5.280 4.157 3.758 4.557 . 0 0 "[ . 1 . 2]" 1
1049 1 77 GLU H 1 77 GLU HB2 . . 3.560 2.561 2.419 2.644 . 0 0 "[ . 1 . 2]" 1
1050 1 77 GLU H 1 77 GLU HB3 . . 3.560 2.504 2.428 2.659 . 0 0 "[ . 1 . 2]" 1
1051 1 77 GLU H 1 78 ALA H . . 4.910 4.371 4.288 4.488 . 0 0 "[ . 1 . 2]" 1
1052 1 77 GLU HA 1 77 GLU QG . . 3.740 2.456 2.379 2.514 . 0 0 "[ . 1 . 2]" 1
1053 1 77 GLU HA 1 78 ALA H . . 3.130 2.119 2.073 2.163 . 0 0 "[ . 1 . 2]" 1
1054 1 77 GLU HA 1 83 TYR HA . . 4.010 2.249 2.032 2.436 . 0 0 "[ . 1 . 2]" 1
1055 1 77 GLU HA 1 83 TYR QD . . 4.260 2.273 2.048 3.045 . 0 0 "[ . 1 . 2]" 1
1056 1 77 GLU HA 1 84 LEU H . . 4.790 3.515 3.321 3.668 . 0 0 "[ . 1 . 2]" 1
1057 1 77 GLU QB 1 77 GLU QG . . 2.340 2.068 1.991 2.088 . 0 0 "[ . 1 . 2]" 1
1058 1 77 GLU QB 1 78 ALA H . . 4.200 3.841 3.724 3.899 . 0 0 "[ . 1 . 2]" 1
1059 1 77 GLU QB 1 83 TYR HB3 . . 5.340 4.718 4.573 4.892 . 0 0 "[ . 1 . 2]" 1
1060 1 77 GLU QB 1 83 TYR QE . . 5.340 2.818 2.269 3.107 . 0 0 "[ . 1 . 2]" 1
1061 1 77 GLU QG 1 78 ALA H . . 3.980 3.183 2.959 3.504 . 0 0 "[ . 1 . 2]" 1
1062 1 77 GLU QG 1 79 GLN H . . 5.280 3.260 2.724 4.070 . 0 0 "[ . 1 . 2]" 1
1063 1 77 GLU QG 1 80 LYS HA . . 3.820 2.611 2.106 3.637 . 0 0 "[ . 1 . 2]" 1
1064 1 77 GLU QG 1 82 GLU H . . 4.250 3.709 3.294 4.253 0.003 1 0 "[ . 1 . 2]" 1
1065 1 77 GLU QG 1 83 TYR QD . . 3.600 3.038 2.907 3.202 . 0 0 "[ . 1 . 2]" 1
1066 1 77 GLU QG 1 83 TYR QE . . 5.340 2.690 2.379 2.858 . 0 0 "[ . 1 . 2]" 1
1067 1 77 GLU HG2 1 81 CYS H . . 5.500 5.168 4.748 5.391 . 0 0 "[ . 1 . 2]" 1
1068 1 77 GLU HG2 1 83 TYR QD . . 4.340 4.204 3.198 4.452 0.112 19 0 "[ . 1 . 2]" 1
1069 1 77 GLU HG3 1 81 CYS H . . 5.500 5.090 4.711 5.517 0.017 17 0 "[ . 1 . 2]" 1
1070 1 77 GLU HG3 1 83 TYR QD . . 4.340 3.268 2.954 4.392 0.052 2 0 "[ . 1 . 2]" 1
1071 1 78 ALA H 1 78 ALA MB . . 3.190 2.244 2.220 2.283 . 0 0 "[ . 1 . 2]" 1
1072 1 78 ALA H 1 79 GLN QG . . 5.220 4.782 4.227 5.172 . 0 0 "[ . 1 . 2]" 1
1073 1 78 ALA H 1 80 LYS H . . 4.720 4.722 4.566 4.802 0.082 7 0 "[ . 1 . 2]" 1
1074 1 78 ALA H 1 82 GLU H . . 5.050 4.373 3.680 4.703 . 0 0 "[ . 1 . 2]" 1
1075 1 78 ALA H 1 82 GLU QG . . 4.280 3.877 3.760 4.009 . 0 0 "[ . 1 . 2]" 1
1076 1 78 ALA H 1 83 TYR H . . 5.310 4.384 4.216 4.564 . 0 0 "[ . 1 . 2]" 1
1077 1 78 ALA H 1 83 TYR HA . . 4.290 2.076 1.779 2.671 . 0 0 "[ . 1 . 2]" 1
1078 1 78 ALA H 1 83 TYR QD . . 5.500 4.018 3.767 4.667 . 0 0 "[ . 1 . 2]" 1
1079 1 78 ALA H 1 84 LEU H . . 4.670 3.308 3.014 3.622 . 0 0 "[ . 1 . 2]" 1
1080 1 78 ALA H 1 84 LEU HG . . 5.500 5.345 4.260 5.568 0.068 16 0 "[ . 1 . 2]" 1
1081 1 78 ALA HA 1 82 GLU QG . . 5.150 5.158 5.005 5.249 0.099 2 0 "[ . 1 . 2]" 1
1082 1 78 ALA MB 1 79 GLN H . . 3.330 2.262 1.883 2.567 . 0 0 "[ . 1 . 2]" 1
1083 1 78 ALA MB 1 79 GLN HB2 . . 4.130 3.735 3.584 4.134 0.004 8 0 "[ . 1 . 2]" 1
1084 1 78 ALA MB 1 79 GLN HE21 . . 5.240 4.695 3.100 5.337 0.097 6 0 "[ . 1 . 2]" 1
1085 1 78 ALA MB 1 79 GLN QG . . 4.480 2.669 2.242 2.889 . 0 0 "[ . 1 . 2]" 1
1086 1 78 ALA MB 1 80 LYS H . . 5.490 4.365 4.204 4.535 . 0 0 "[ . 1 . 2]" 1
1087 1 78 ALA MB 1 82 GLU H . . 5.500 4.246 4.038 4.458 . 0 0 "[ . 1 . 2]" 1
1088 1 78 ALA MB 1 82 GLU QG . . 3.710 2.304 2.120 2.458 . 0 0 "[ . 1 . 2]" 1
1089 1 78 ALA MB 1 83 TYR H . . 5.360 4.207 3.868 4.597 . 0 0 "[ . 1 . 2]" 1
1090 1 78 ALA MB 1 84 LEU H . . 5.500 3.270 2.951 3.598 . 0 0 "[ . 1 . 2]" 1
1091 1 79 GLN H 1 79 GLN HB2 . . 3.590 2.630 2.449 2.811 . 0 0 "[ . 1 . 2]" 1
1092 1 79 GLN H 1 79 GLN HB3 . . 4.100 3.769 3.663 3.882 . 0 0 "[ . 1 . 2]" 1
1093 1 79 GLN H 1 79 GLN HE21 . . 4.900 5.664 4.998 5.993 1.093 15 17 "[* ***- ******+*****]" 1
1094 1 79 GLN H 1 79 GLN QG . . 3.780 2.921 2.512 3.171 . 0 0 "[ . 1 . 2]" 1
1095 1 79 GLN H 1 80 LYS H . . 4.350 2.647 2.447 2.822 . 0 0 "[ . 1 . 2]" 1
1096 1 79 GLN H 1 82 GLU H . . 4.620 3.267 2.900 3.493 . 0 0 "[ . 1 . 2]" 1
1097 1 79 GLN H 1 82 GLU QG . . 4.670 3.865 3.477 4.317 . 0 0 "[ . 1 . 2]" 1
1098 1 79 GLN HA 1 79 GLN QG . . 3.710 2.541 2.319 3.222 . 0 0 "[ . 1 . 2]" 1
1099 1 79 GLN HA 1 80 LYS QB . . 5.360 4.548 4.267 5.123 . 0 0 "[ . 1 . 2]" 1
1100 1 79 GLN HA 1 81 CYS H . . 5.470 5.309 4.817 5.518 0.048 10 0 "[ . 1 . 2]" 1
1101 1 79 GLN HB2 1 80 LYS H . . 3.830 1.931 1.630 2.167 . 0 0 "[ . 1 . 2]" 1
1102 1 79 GLN HB2 1 81 CYS H . . 4.650 3.132 2.445 3.508 . 0 0 "[ . 1 . 2]" 1
1103 1 79 GLN HB2 1 82 GLU H . . 3.520 3.188 2.670 3.539 0.019 11 0 "[ . 1 . 2]" 1
1104 1 79 GLN HB3 1 80 LYS H . . 3.770 2.835 2.619 3.142 . 0 0 "[ . 1 . 2]" 1
1105 1 79 GLN HB3 1 80 LYS QG . . 4.970 3.871 2.246 4.821 . 0 0 "[ . 1 . 2]" 1
1106 1 79 GLN HB3 1 81 CYS H . . 5.500 3.969 3.547 4.321 . 0 0 "[ . 1 . 2]" 1
1107 1 79 GLN HE21 1 82 GLU QG . . 4.680 4.793 4.425 5.656 0.976 7 3 "[ * . +- 1 . 2]" 1
1108 1 79 GLN QG 1 80 LYS H . . 4.010 3.808 3.314 4.008 . 0 0 "[ . 1 . 2]" 1
1109 1 79 GLN QG 1 80 LYS QD . . 4.760 4.202 3.778 4.897 0.137 8 0 "[ . 1 . 2]" 1
1110 1 80 LYS H 1 80 LYS QB . . 3.280 3.277 2.759 3.378 0.098 18 0 "[ . 1 . 2]" 1
1111 1 80 LYS H 1 80 LYS QD . . 5.500 2.867 2.313 4.272 . 0 0 "[ . 1 . 2]" 1
1112 1 80 LYS H 1 80 LYS QG . . 3.840 3.169 2.428 3.947 0.107 7 0 "[ . 1 . 2]" 1
1113 1 80 LYS H 1 81 CYS H . . 4.420 1.928 1.461 2.133 . 0 0 "[ . 1 . 2]" 1
1114 1 80 LYS H 1 81 CYS HA . . 4.870 4.334 4.150 4.476 . 0 0 "[ . 1 . 2]" 1
1115 1 80 LYS H 1 82 GLU H . . 5.120 2.220 1.951 2.520 . 0 0 "[ . 1 . 2]" 1
1116 1 80 LYS HA 1 80 LYS QD . . 4.040 3.755 3.157 4.137 0.097 4 0 "[ . 1 . 2]" 1
1117 1 80 LYS HA 1 80 LYS QE . . 5.500 4.883 3.931 5.447 . 0 0 "[ . 1 . 2]" 1
1118 1 80 LYS HA 1 81 CYS H . . 3.470 3.486 3.336 3.533 0.063 8 0 "[ . 1 . 2]" 1
1119 1 80 LYS HA 1 82 GLU H . . 4.270 3.947 3.584 4.214 . 0 0 "[ . 1 . 2]" 1
1120 1 80 LYS QB 1 80 LYS QD . . 2.640 2.433 2.035 2.677 0.037 20 0 "[ . 1 . 2]" 1
1121 1 80 LYS QB 1 80 LYS QE . . 4.030 3.056 1.932 3.817 . 0 0 "[ . 1 . 2]" 1
1122 1 80 LYS QB 1 81 CYS H . . 4.850 3.305 2.019 3.861 . 0 0 "[ . 1 . 2]" 1
1123 1 80 LYS QB 1 81 CYS HA . . 5.500 4.431 3.641 4.758 . 0 0 "[ . 1 . 2]" 1
1124 1 80 LYS QD 1 81 CYS H . . 5.290 3.156 2.488 4.354 . 0 0 "[ . 1 . 2]" 1
1125 1 80 LYS QG 1 81 CYS H . . 4.400 2.424 1.901 4.160 . 0 0 "[ . 1 . 2]" 1
1126 1 80 LYS QG 1 81 CYS HA . . 5.360 4.129 3.752 5.497 0.137 10 0 "[ . 1 . 2]" 1
1127 1 81 CYS H 1 82 GLU H . . 3.750 2.161 1.888 2.382 . 0 0 "[ . 1 . 2]" 1
1128 1 81 CYS H 1 83 TYR QE . . 5.500 5.454 5.255 5.581 0.081 3 0 "[ . 1 . 2]" 1
1129 1 81 CYS HA 1 83 TYR QD . . 4.960 4.843 4.624 5.001 0.041 14 0 "[ . 1 . 2]" 1
1130 1 81 CYS HA 1 83 TYR QE . . 3.510 3.384 3.019 3.539 0.029 17 0 "[ . 1 . 2]" 1
1131 1 81 CYS HB2 1 82 GLU HB3 . . 5.100 4.550 4.301 4.822 . 0 0 "[ . 1 . 2]" 1
1132 1 81 CYS HB3 1 82 GLU H . . 5.200 4.227 3.943 4.466 . 0 0 "[ . 1 . 2]" 1
1133 1 81 CYS HB3 1 82 GLU HB3 . . 5.500 5.609 5.558 5.652 0.152 6 0 "[ . 1 . 2]" 1
1134 1 82 GLU H 1 82 GLU QG . . 4.040 3.975 3.912 4.009 . 0 0 "[ . 1 . 2]" 1
1135 1 82 GLU H 1 83 TYR H . . 4.810 4.210 4.062 4.347 . 0 0 "[ . 1 . 2]" 1
1136 1 82 GLU H 1 83 TYR QD . . 5.500 4.508 4.223 4.676 . 0 0 "[ . 1 . 2]" 1
1137 1 82 GLU H 1 83 TYR QE . . 4.410 4.459 4.377 4.547 0.137 1 0 "[ . 1 . 2]" 1
1138 1 82 GLU HA 1 83 TYR H . . 3.270 2.099 2.027 2.158 . 0 0 "[ . 1 . 2]" 1
1139 1 82 GLU HA 1 83 TYR QD . . 3.750 3.195 2.873 3.441 . 0 0 "[ . 1 . 2]" 1
1140 1 82 GLU QG 1 83 TYR H . . 4.220 2.713 2.453 2.932 . 0 0 "[ . 1 . 2]" 1
1141 1 83 TYR H 1 83 TYR HB2 . . 3.880 2.642 2.516 2.707 . 0 0 "[ . 1 . 2]" 1
1142 1 83 TYR H 1 83 TYR QD . . 3.570 2.535 2.123 2.681 . 0 0 "[ . 1 . 2]" 1
1143 1 83 TYR H 1 83 TYR QE . . 4.450 4.477 4.333 4.524 0.074 18 0 "[ . 1 . 2]" 1
1144 1 83 TYR H 1 84 LEU H . . 5.140 4.429 4.404 4.496 . 0 0 "[ . 1 . 2]" 1
1145 1 83 TYR HA 1 84 LEU H . . 3.400 2.264 2.187 2.296 . 0 0 "[ . 1 . 2]" 1
1146 1 83 TYR HB2 1 84 LEU H . . 5.270 3.843 3.771 4.101 . 0 0 "[ . 1 . 2]" 1
1147 1 83 TYR HB2 1 85 ILE H . . 5.420 5.079 4.925 5.171 . 0 0 "[ . 1 . 2]" 1
1148 1 83 TYR HB3 1 84 LEU H . . 4.540 2.918 2.833 3.232 . 0 0 "[ . 1 . 2]" 1
1149 1 84 LEU H 1 84 LEU HB2 . . 4.060 3.794 3.744 3.819 . 0 0 "[ . 1 . 2]" 1
1150 1 84 LEU H 1 84 LEU HB3 . . 3.850 3.148 3.011 3.198 . 0 0 "[ . 1 . 2]" 1
1151 1 84 LEU H 1 84 LEU HG . . 3.980 2.909 2.315 3.129 . 0 0 "[ . 1 . 2]" 1
1152 1 84 LEU H 1 85 ILE H . . 4.230 4.249 4.214 4.274 0.044 13 0 "[ . 1 . 2]" 1
1153 1 84 LEU HA 1 85 ILE H . . 3.200 2.036 2.005 2.078 . 0 0 "[ . 1 . 2]" 1
1154 1 84 LEU HA 1 85 ILE HB . . 5.160 4.257 4.194 4.406 . 0 0 "[ . 1 . 2]" 1
1155 1 84 LEU HB2 1 85 ILE H . . 3.850 3.271 3.164 3.380 . 0 0 "[ . 1 . 2]" 1
1156 1 84 LEU HB3 1 85 ILE H . . 5.500 4.119 4.032 4.186 . 0 0 "[ . 1 . 2]" 1
1157 1 85 ILE H 1 85 ILE HG12 . . 5.270 4.144 4.049 4.522 . 0 0 "[ . 1 . 2]" 1
1158 1 85 ILE H 1 86 LYS H . . 4.950 4.368 4.303 4.434 . 0 0 "[ . 1 . 2]" 1
1159 1 85 ILE HA 1 86 LYS H . . 3.220 2.196 2.174 2.223 . 0 0 "[ . 1 . 2]" 1
1160 1 85 ILE HG12 1 86 LYS H . . 5.500 4.367 4.224 5.063 . 0 0 "[ . 1 . 2]" 1
1161 1 86 LYS H 1 86 LYS HB2 . . 3.570 2.845 2.654 2.973 . 0 0 "[ . 1 . 2]" 1
1162 1 86 LYS H 1 86 LYS HB3 . . 3.700 2.484 2.348 2.598 . 0 0 "[ . 1 . 2]" 1
1163 1 86 LYS H 1 86 LYS QD . . 4.920 4.758 4.522 4.983 0.063 13 0 "[ . 1 . 2]" 1
1164 1 86 LYS H 1 86 LYS HG2 . . 4.970 4.476 4.330 4.659 . 0 0 "[ . 1 . 2]" 1
1165 1 86 LYS H 1 86 LYS QG . . 4.290 3.999 3.949 4.062 . 0 0 "[ . 1 . 2]" 1
1166 1 86 LYS H 1 86 LYS HG3 . . 4.970 4.523 4.290 4.643 . 0 0 "[ . 1 . 2]" 1
1167 1 86 LYS H 1 87 MET H . . 4.770 4.462 4.397 4.521 . 0 0 "[ . 1 . 2]" 1
1168 1 86 LYS H 1 87 MET HA . . 5.340 5.031 4.965 5.120 . 0 0 "[ . 1 . 2]" 1
1169 1 86 LYS H 1 87 MET HG3 . . 5.090 4.542 4.463 4.635 . 0 0 "[ . 1 . 2]" 1
1170 1 86 LYS HA 1 86 LYS QD . . 4.630 3.511 2.104 4.261 . 0 0 "[ . 1 . 2]" 1
1171 1 86 LYS HA 1 86 LYS QE . . 5.500 3.716 2.612 4.457 . 0 0 "[ . 1 . 2]" 1
1172 1 86 LYS HA 1 87 MET H . . 2.940 2.241 2.199 2.293 . 0 0 "[ . 1 . 2]" 1
1173 1 86 LYS HA 1 87 MET HA . . 5.250 4.412 4.377 4.459 . 0 0 "[ . 1 . 2]" 1
1174 1 86 LYS HA 1 87 MET HB2 . . 5.500 4.458 4.287 4.580 . 0 0 "[ . 1 . 2]" 1
1175 1 86 LYS HB2 1 86 LYS QD . . 3.230 2.768 2.328 3.015 . 0 0 "[ . 1 . 2]" 1
1176 1 86 LYS HB2 1 86 LYS QE . . 4.500 2.137 1.885 2.721 . 0 0 "[ . 1 . 2]" 1
1177 1 86 LYS HB2 1 87 MET H . . 4.280 4.134 4.014 4.288 0.008 3 0 "[ . 1 . 2]" 1
1178 1 86 LYS HB3 1 86 LYS QD . . 3.740 2.950 2.454 3.521 . 0 0 "[ . 1 . 2]" 1
1179 1 86 LYS HB3 1 86 LYS QE . . 4.790 2.735 1.971 3.363 . 0 0 "[ . 1 . 2]" 1
1180 1 86 LYS HB3 1 87 MET H . . 4.700 4.025 3.920 4.144 . 0 0 "[ . 1 . 2]" 1
1181 1 86 LYS QD 1 87 MET H . . 4.640 3.758 2.129 4.507 . 0 0 "[ . 1 . 2]" 1
1182 1 86 LYS QG 1 87 MET H . . 4.220 2.590 2.282 2.945 . 0 0 "[ . 1 . 2]" 1
1183 1 86 LYS QG 1 87 MET HA . . 5.040 3.688 3.460 3.897 . 0 0 "[ . 1 . 2]" 1
1184 1 86 LYS HG2 1 87 MET H . . 5.050 3.264 2.618 4.416 . 0 0 "[ . 1 . 2]" 1
1185 1 86 LYS HG3 1 87 MET H . . 5.050 2.826 2.395 3.066 . 0 0 "[ . 1 . 2]" 1
1186 1 87 MET H 1 87 MET ME . . 5.370 5.101 5.017 5.162 . 0 0 "[ . 1 . 2]" 1
1187 1 87 MET H 1 87 MET HG2 . . 4.420 4.200 4.138 4.250 . 0 0 "[ . 1 . 2]" 1
1188 1 87 MET H 1 87 MET HG3 . . 4.290 3.340 3.240 3.415 . 0 0 "[ . 1 . 2]" 1
1189 1 87 MET H 1 88 LYS H . . 4.680 4.303 4.277 4.343 . 0 0 "[ . 1 . 2]" 1
1190 1 87 MET H 1 88 LYS QE . . 5.500 4.303 3.905 4.628 . 0 0 "[ . 1 . 2]" 1
1191 1 87 MET H 1 88 LYS HG2 . . 4.410 4.474 4.433 4.523 0.113 4 0 "[ . 1 . 2]" 1
1192 1 87 MET HA 1 87 MET ME . . 4.950 3.807 3.728 3.888 . 0 0 "[ . 1 . 2]" 1
1193 1 87 MET HA 1 87 MET HG3 . . 4.240 3.139 3.093 3.171 . 0 0 "[ . 1 . 2]" 1
1194 1 87 MET HA 1 88 LYS H . . 3.400 2.374 2.278 2.416 . 0 0 "[ . 1 . 2]" 1
1195 1 87 MET HB2 1 87 MET ME . . 3.740 2.974 2.866 3.035 . 0 0 "[ . 1 . 2]" 1
1196 1 87 MET HB2 1 88 LYS H . . 4.220 3.537 3.471 3.727 . 0 0 "[ . 1 . 2]" 1
1197 1 87 MET HB3 1 87 MET ME . . 3.000 1.980 1.959 2.021 . 0 0 "[ . 1 . 2]" 1
1198 1 87 MET ME 1 87 MET HG2 . . 3.830 2.514 2.461 2.580 . 0 0 "[ . 1 . 2]" 1
1199 1 87 MET ME 1 87 MET HG3 . . 3.880 3.409 3.392 3.424 . 0 0 "[ . 1 . 2]" 1
1200 1 87 MET HG2 1 88 LYS H . . 4.730 3.925 3.835 4.037 . 0 0 "[ . 1 . 2]" 1
1201 1 88 LYS H 1 88 LYS HB2 . . 3.980 2.944 2.912 2.989 . 0 0 "[ . 1 . 2]" 1
1202 1 88 LYS H 1 88 LYS HG2 . . 5.010 2.916 2.807 3.023 . 0 0 "[ . 1 . 2]" 1
1203 1 88 LYS H 1 88 LYS HG3 . . 4.660 4.167 4.031 4.264 . 0 0 "[ . 1 . 2]" 1
1204 1 88 LYS H 1 89 SER H . . 5.280 4.273 4.211 4.341 . 0 0 "[ . 1 . 2]" 1
1205 1 88 LYS HA 1 88 LYS HD2 . . 4.710 3.304 3.167 3.418 . 0 0 "[ . 1 . 2]" 1
1206 1 88 LYS HA 1 88 LYS HD3 . . 4.110 2.130 2.022 2.250 . 0 0 "[ . 1 . 2]" 1
1207 1 88 LYS HA 1 88 LYS QE . . 5.500 3.890 3.766 3.956 . 0 0 "[ . 1 . 2]" 1
1208 1 88 LYS HA 1 88 LYS HG2 . . 4.230 2.986 2.901 3.062 . 0 0 "[ . 1 . 2]" 1
1209 1 88 LYS HA 1 89 SER H . . 3.130 2.221 2.156 2.282 . 0 0 "[ . 1 . 2]" 1
1210 1 88 LYS HB2 1 88 LYS HD3 . . 3.630 3.637 3.602 3.652 0.022 14 0 "[ . 1 . 2]" 1
1211 1 88 LYS HB2 1 89 SER H . . 4.320 3.450 3.350 3.675 . 0 0 "[ . 1 . 2]" 1
1212 1 88 LYS HB3 1 88 LYS HD2 . . 3.390 2.264 2.159 2.340 . 0 0 "[ . 1 . 2]" 1
1213 1 88 LYS HB3 1 88 LYS HD3 . . 2.400 2.531 2.499 2.558 0.158 10 0 "[ . 1 . 2]" 1
1214 1 88 LYS HB3 1 89 SER H . . 4.160 2.388 2.294 2.562 . 0 0 "[ . 1 . 2]" 1
1215 1 88 LYS HD2 1 89 SER H . . 5.500 4.122 3.961 4.336 . 0 0 "[ . 1 . 2]" 1
1216 1 88 LYS QE 1 89 SER H . . 5.210 5.415 5.316 5.489 0.279 4 0 "[ . 1 . 2]" 1
1217 1 89 SER H 1 90 PRO HA . . 5.330 4.785 4.707 4.925 . 0 0 "[ . 1 . 2]" 1
1218 1 89 SER H 1 92 ALA H . . 5.080 4.049 3.893 4.132 . 0 0 "[ . 1 . 2]" 1
1219 1 89 SER H 1 92 ALA MB . . 5.410 2.947 2.684 3.266 . 0 0 "[ . 1 . 2]" 1
1220 1 89 SER H 1 93 CYS H . . 5.500 5.474 5.174 5.578 0.078 20 0 "[ . 1 . 2]" 1
1221 1 89 SER HA 1 90 PRO HD3 . . 3.930 2.487 2.430 2.543 . 0 0 "[ . 1 . 2]" 1
1222 1 89 SER HA 1 92 ALA MB . . 5.120 4.497 4.241 4.864 . 0 0 "[ . 1 . 2]" 1
1223 1 89 SER QB 1 90 PRO HD3 . . 5.500 4.145 3.605 4.354 . 0 0 "[ . 1 . 2]" 1
1224 1 89 SER QB 1 92 ALA H . . 4.550 2.705 2.349 2.960 . 0 0 "[ . 1 . 2]" 1
1225 1 90 PRO HA 1 92 ALA H . . 4.590 3.868 3.702 3.998 . 0 0 "[ . 1 . 2]" 1
1226 1 90 PRO HA 1 93 CYS H . . 4.530 3.899 3.538 4.226 . 0 0 "[ . 1 . 2]" 1
1227 1 90 PRO HA 1 93 CYS HB2 . . 5.500 2.969 2.590 3.362 . 0 0 "[ . 1 . 2]" 1
1228 1 90 PRO HA 1 93 CYS HB3 . . 5.500 3.443 2.769 3.969 . 0 0 "[ . 1 . 2]" 1
1229 1 90 PRO HD2 1 91 ALA H . . 5.110 2.736 2.585 2.890 . 0 0 "[ . 1 . 2]" 1
1230 1 90 PRO HD3 1 91 ALA H . . 5.330 3.845 3.726 3.936 . 0 0 "[ . 1 . 2]" 1
1231 1 90 PRO QG 1 91 ALA H . . 4.900 2.494 2.393 2.671 . 0 0 "[ . 1 . 2]" 1
1232 1 90 PRO QG 1 91 ALA MB . . 4.210 3.310 3.181 3.468 . 0 0 "[ . 1 . 2]" 1
1233 1 90 PRO QG 1 92 ALA H . . 5.310 4.696 4.577 4.880 . 0 0 "[ . 1 . 2]" 1
1234 1 91 ALA H 1 92 ALA H . . 3.760 2.454 2.367 2.555 . 0 0 "[ . 1 . 2]" 1
1235 1 91 ALA HA 1 93 CYS H . . 5.300 3.485 3.372 3.651 . 0 0 "[ . 1 . 2]" 1
1236 1 91 ALA MB 1 92 ALA H . . 4.970 3.013 2.806 3.151 . 0 0 "[ . 1 . 2]" 1
1237 1 91 ALA MB 1 92 ALA MB . . 3.780 3.743 3.584 3.818 0.038 2 0 "[ . 1 . 2]" 1
1238 1 92 ALA H 1 92 ALA MB . . 3.070 2.304 2.255 2.368 . 0 0 "[ . 1 . 2]" 1
1239 1 92 ALA H 1 93 CYS H . . 3.270 2.401 2.255 2.579 . 0 0 "[ . 1 . 2]" 1
1240 1 92 ALA H 1 93 CYS HA . . 4.940 4.711 4.529 4.862 . 0 0 "[ . 1 . 2]" 1
1241 1 92 ALA H 1 93 CYS HB2 . . 4.030 3.958 3.830 4.053 0.023 9 0 "[ . 1 . 2]" 1
1242 1 92 ALA MB 1 93 CYS H . . 3.910 3.355 3.230 3.422 . 0 0 "[ . 1 . 2]" 1
1243 1 93 CYS H 1 93 CYS HB2 . . 3.410 2.648 2.560 2.766 . 0 0 "[ . 1 . 2]" 1
1244 1 93 CYS H 1 93 CYS HB3 . . 3.740 2.584 2.532 2.626 . 0 0 "[ . 1 . 2]" 1
1245 1 93 CYS H 1 94 SER QB . . 5.500 4.910 4.209 5.514 0.014 16 0 "[ . 1 . 2]" 1
1246 1 93 CYS HA 1 94 SER H . . 3.150 2.165 2.061 2.559 . 0 0 "[ . 1 . 2]" 1
1247 1 93 CYS HA 1 94 SER HA . . 5.030 4.380 4.314 4.437 . 0 0 "[ . 1 . 2]" 1
1248 1 93 CYS HB2 1 94 SER H . . 4.580 4.340 3.875 4.473 . 0 0 "[ . 1 . 2]" 1
1249 1 93 CYS HB3 1 94 SER H . . 4.120 4.043 3.198 4.157 0.037 2 0 "[ . 1 . 2]" 1
1250 1 94 SER H 1 94 SER QB . . 3.730 2.768 2.401 2.957 . 0 0 "[ . 1 . 2]" 1
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