NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484631 |
2jn6   |
15086 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jn6
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 1230
_Distance_constraint_stats_list.Viol_count 1442
_Distance_constraint_stats_list.Viol_total 1891.363
_Distance_constraint_stats_list.Viol_max 0.487
_Distance_constraint_stats_list.Viol_rms 0.0206
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0656
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 1.687 0.182 10 0 "[ . 1 . 2]"
1 3 THR 3.654 0.332 20 0 "[ . 1 . 2]"
1 4 LYS 4.080 0.367 10 0 "[ . 1 . 2]"
1 5 THR 3.782 0.302 19 0 "[ . 1 . 2]"
1 6 TYR 3.775 0.243 1 0 "[ . 1 . 2]"
1 7 SER 0.125 0.041 8 0 "[ . 1 . 2]"
1 8 GLU 0.162 0.041 8 0 "[ . 1 . 2]"
1 9 GLU 2.429 0.251 5 0 "[ . 1 . 2]"
1 10 PHE 0.984 0.102 5 0 "[ . 1 . 2]"
1 11 LYS 2.613 0.132 4 0 "[ . 1 . 2]"
1 12 ARG 0.992 0.273 9 0 "[ . 1 . 2]"
1 13 ASP 0.208 0.046 15 0 "[ . 1 . 2]"
1 14 ALA 0.547 0.056 16 0 "[ . 1 . 2]"
1 15 VAL 1.081 0.101 13 0 "[ . 1 . 2]"
1 16 ALA 0.270 0.087 3 0 "[ . 1 . 2]"
1 17 LEU 1.599 0.094 20 0 "[ . 1 . 2]"
1 18 TYR 0.923 0.137 8 0 "[ . 1 . 2]"
1 19 GLU 0.386 0.066 16 0 "[ . 1 . 2]"
1 20 ASN 1.092 0.092 19 0 "[ . 1 . 2]"
1 21 SER 3.531 0.173 20 0 "[ . 1 . 2]"
1 22 ASP 3.269 0.149 15 0 "[ . 1 . 2]"
1 23 GLY 1.179 0.109 5 0 "[ . 1 . 2]"
1 24 ALA 1.787 0.173 20 0 "[ . 1 . 2]"
1 25 SER 0.549 0.111 9 0 "[ . 1 . 2]"
1 26 LEU 0.496 0.219 16 0 "[ . 1 . 2]"
1 27 GLN 2.146 0.139 12 0 "[ . 1 . 2]"
1 28 GLN 0.726 0.111 9 0 "[ . 1 . 2]"
1 29 ILE 0.576 0.109 1 0 "[ . 1 . 2]"
1 30 ALA 0.073 0.039 13 0 "[ . 1 . 2]"
1 31 ASN 2.374 0.182 18 0 "[ . 1 . 2]"
1 32 ASP 0.837 0.109 1 0 "[ . 1 . 2]"
1 33 LEU 1.433 0.140 5 0 "[ . 1 . 2]"
1 34 GLY 0.531 0.068 1 0 "[ . 1 . 2]"
1 35 ILE 1.277 0.166 10 0 "[ . 1 . 2]"
1 36 ASN 6.246 0.226 3 0 "[ . 1 . 2]"
1 37 ARG 3.802 0.169 1 0 "[ . 1 . 2]"
1 38 VAL 1.452 0.101 16 0 "[ . 1 . 2]"
1 39 THR 1.483 0.119 16 0 "[ . 1 . 2]"
1 40 LEU 0.065 0.037 2 0 "[ . 1 . 2]"
1 41 LYS 2.586 0.154 13 0 "[ . 1 . 2]"
1 42 ASN 2.965 0.301 2 0 "[ . 1 . 2]"
1 43 TRP 3.312 0.301 2 0 "[ . 1 . 2]"
1 44 ILE 0.188 0.038 20 0 "[ . 1 . 2]"
1 45 ILE 0.116 0.046 20 0 "[ . 1 . 2]"
1 46 LYS 0.829 0.153 9 0 "[ . 1 . 2]"
1 47 TYR 0.709 0.058 3 0 "[ . 1 . 2]"
1 48 GLY 0.921 0.101 13 0 "[ . 1 . 2]"
1 49 SER 0.503 0.177 9 0 "[ . 1 . 2]"
1 50 ASN 1.498 0.225 4 0 "[ . 1 . 2]"
1 51 HIS 2.339 0.225 4 0 "[ . 1 . 2]"
1 52 ASN 3.045 0.303 3 0 "[ . 1 . 2]"
1 53 VAL 1.556 0.186 14 0 "[ . 1 . 2]"
1 54 GLN 1.631 0.169 14 0 "[ . 1 . 2]"
1 55 GLY 1.246 0.118 18 0 "[ . 1 . 2]"
1 56 THR 5.724 0.303 19 0 "[ . 1 . 2]"
1 57 THR 2.730 0.303 19 0 "[ . 1 . 2]"
1 58 PRO 0.302 0.125 4 0 "[ . 1 . 2]"
1 59 SER 0.296 0.125 4 0 "[ . 1 . 2]"
1 60 ALA 0.715 0.073 1 0 "[ . 1 . 2]"
1 61 ALA 2.737 0.135 2 0 "[ . 1 . 2]"
1 62 VAL 3.837 0.146 3 0 "[ . 1 . 2]"
1 63 SER 2.555 0.163 1 0 "[ . 1 . 2]"
1 64 GLU 2.746 0.163 1 0 "[ . 1 . 2]"
1 65 ALA 2.533 0.126 6 0 "[ . 1 . 2]"
1 66 GLU 1.377 0.288 11 0 "[ . 1 . 2]"
1 67 GLN 1.202 0.200 11 0 "[ . 1 . 2]"
1 68 ILE 1.096 0.112 2 0 "[ . 1 . 2]"
1 69 ARG 0.467 0.049 9 0 "[ . 1 . 2]"
1 70 GLN 5.511 0.487 12 0 "[ . 1 . 2]"
1 71 LEU 1.803 0.171 8 0 "[ . 1 . 2]"
1 72 LYS 0.581 0.077 3 0 "[ . 1 . 2]"
1 73 LYS 0.238 0.061 11 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ASN 1.285 0.250 12 0 "[ . 1 . 2]"
1 76 ALA 3.179 0.250 12 0 "[ . 1 . 2]"
1 77 LEU 3.092 0.135 9 0 "[ . 1 . 2]"
1 79 ARG 1.844 0.113 17 0 "[ . 1 . 2]"
1 80 ALA 2.684 0.114 9 0 "[ . 1 . 2]"
1 81 ARG 4.767 0.380 20 0 "[ . 1 . 2]"
1 82 THR 4.818 0.175 17 0 "[ . 1 . 2]"
1 83 ARG 4.420 0.178 11 0 "[ . 1 . 2]"
1 84 HIS 1.028 0.177 11 0 "[ . 1 . 2]"
1 85 PRO 0.995 0.183 2 0 "[ . 1 . 2]"
1 86 ALA 1.222 0.183 2 0 "[ . 1 . 2]"
1 87 GLU 0.283 0.100 2 0 "[ . 1 . 2]"
1 88 SER 0.063 0.025 15 0 "[ . 1 . 2]"
1 89 CYS 1.780 0.151 13 0 "[ . 1 . 2]"
1 90 LEU 2.404 0.151 13 0 "[ . 1 . 2]"
1 91 GLU 0.630 0.143 18 0 "[ . 1 . 2]"
1 92 HIS 0.078 0.074 1 0 "[ . 1 . 2]"
1 93 HIS 0.078 0.074 1 0 "[ . 1 . 2]"
1 96 HIS 0.062 0.062 8 0 "[ . 1 . 2]"
1 97 HIS 0.123 0.062 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 THR H . . 3.330 3.051 2.118 3.512 0.182 10 0 "[ . 1 . 2]" 1
2 1 2 PRO HG2 1 3 THR H . . 5.500 4.011 2.477 5.618 0.118 5 0 "[ . 1 . 2]" 1
3 1 2 PRO HG3 1 3 THR H . . 5.500 4.647 3.988 5.442 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR H 1 3 THR HB . . 3.640 3.492 2.882 3.972 0.332 20 0 "[ . 1 . 2]" 1
5 1 3 THR H 1 4 LYS H . . 4.380 4.318 3.654 4.449 0.069 17 0 "[ . 1 . 2]" 1
6 1 3 THR HA 1 3 THR HB . . 2.770 2.568 2.369 2.981 0.211 8 0 "[ . 1 . 2]" 1
7 1 3 THR HA 1 4 LYS H . . 3.020 2.247 2.095 2.647 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR HA 1 4 LYS QB . . 5.260 4.103 3.771 4.525 . 0 0 "[ . 1 . 2]" 1
9 1 3 THR HB 1 4 LYS H . . 3.640 3.594 2.795 3.820 0.180 15 0 "[ . 1 . 2]" 1
10 1 3 THR MG 1 4 LYS H . . 6.530 3.496 2.220 4.041 . 0 0 "[ . 1 . 2]" 1
11 1 4 LYS H 1 4 LYS HB2 . . 3.610 3.129 2.418 3.717 0.107 7 0 "[ . 1 . 2]" 1
12 1 4 LYS H 1 4 LYS QB . . 3.330 2.683 2.230 3.016 . 0 0 "[ . 1 . 2]" 1
13 1 4 LYS H 1 4 LYS HB3 . . 3.610 2.981 2.438 3.634 0.024 11 0 "[ . 1 . 2]" 1
14 1 4 LYS H 1 4 LYS HD2 . . 5.500 4.888 4.045 5.652 0.152 17 0 "[ . 1 . 2]" 1
15 1 4 LYS H 1 4 LYS HD3 . . 5.500 4.942 3.263 5.867 0.367 10 0 "[ . 1 . 2]" 1
16 1 4 LYS H 1 4 LYS HG2 . . 5.380 4.499 1.834 5.268 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 4 LYS QG . . 4.800 3.983 1.816 4.539 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS H 1 4 LYS HG3 . . 5.380 4.599 1.954 5.270 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS H 1 5 THR H . . 3.890 3.581 2.131 4.192 0.302 19 0 "[ . 1 . 2]" 1
20 1 4 LYS HA 1 4 LYS HD2 . . 5.500 3.723 2.017 5.250 . 0 0 "[ . 1 . 2]" 1
21 1 4 LYS HA 1 4 LYS HD3 . . 5.500 3.425 2.592 4.881 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS HA 1 5 THR H . . 3.140 2.277 2.082 3.241 0.101 20 0 "[ . 1 . 2]" 1
23 1 4 LYS HB2 1 5 THR H . . 4.600 4.477 4.171 4.635 0.035 16 0 "[ . 1 . 2]" 1
24 1 4 LYS HB3 1 5 THR H . . 4.600 4.374 4.254 4.539 . 0 0 "[ . 1 . 2]" 1
25 1 4 LYS QD 1 5 THR H . . 5.260 3.606 2.183 4.966 . 0 0 "[ . 1 . 2]" 1
26 1 4 LYS HD2 1 5 THR H . . 5.500 4.480 2.197 5.580 0.080 10 0 "[ . 1 . 2]" 1
27 1 4 LYS HD2 1 6 TYR QE . . 7.630 5.383 3.725 7.141 . 0 0 "[ . 1 . 2]" 1
28 1 4 LYS HD3 1 5 THR H . . 5.500 4.163 3.211 5.645 0.145 19 0 "[ . 1 . 2]" 1
29 1 4 LYS HD3 1 6 TYR QE . . 7.630 5.718 3.102 7.710 0.080 4 0 "[ . 1 . 2]" 1
30 1 4 LYS QE 1 6 TYR QE . . 8.510 4.871 1.753 7.796 . 0 0 "[ . 1 . 2]" 1
31 1 4 LYS QG 1 6 TYR QE . . 8.510 5.665 2.345 7.974 . 0 0 "[ . 1 . 2]" 1
32 1 4 LYS HG2 1 5 THR H . . 5.500 4.218 3.254 5.436 . 0 0 "[ . 1 . 2]" 1
33 1 4 LYS HG3 1 5 THR H . . 5.500 4.542 3.293 5.512 0.012 17 0 "[ . 1 . 2]" 1
34 1 5 THR H 1 5 THR HB . . 3.360 2.984 2.824 3.525 0.165 20 0 "[ . 1 . 2]" 1
35 1 5 THR H 1 6 TYR H . . 4.690 4.467 3.989 4.595 . 0 0 "[ . 1 . 2]" 1
36 1 5 THR HA 1 6 TYR H . . 3.080 2.381 2.123 3.115 0.035 4 0 "[ . 1 . 2]" 1
37 1 5 THR HA 1 6 TYR QD . . 7.640 4.002 2.927 5.364 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR HB 1 6 TYR H . . 3.300 3.242 1.669 3.543 0.243 1 0 "[ . 1 . 2]" 1
39 1 5 THR MG 1 6 TYR H . . 6.470 2.308 1.778 3.977 . 0 0 "[ . 1 . 2]" 1
40 1 6 TYR H 1 6 TYR HB2 . . 3.670 3.378 2.478 3.889 0.219 19 0 "[ . 1 . 2]" 1
41 1 6 TYR H 1 6 TYR QB . . 3.300 2.887 2.403 3.279 . 0 0 "[ . 1 . 2]" 1
42 1 6 TYR H 1 6 TYR HB3 . . 3.670 3.358 2.463 3.764 0.094 5 0 "[ . 1 . 2]" 1
43 1 6 TYR H 1 7 SER H . . 4.850 4.274 3.914 4.636 . 0 0 "[ . 1 . 2]" 1
44 1 6 TYR HA 1 7 SER H . . 2.870 2.266 2.101 2.576 . 0 0 "[ . 1 . 2]" 1
45 1 6 TYR QB 1 7 SER H . . 4.250 2.955 2.102 3.670 . 0 0 "[ . 1 . 2]" 1
46 1 6 TYR QB 1 10 PHE QB . . 6.240 3.378 2.368 4.950 . 0 0 "[ . 1 . 2]" 1
47 1 6 TYR QB 1 11 LYS QG . . 6.320 3.516 2.540 4.733 . 0 0 "[ . 1 . 2]" 1
48 1 6 TYR HB2 1 7 SER H . . 4.820 3.374 2.117 4.485 . 0 0 "[ . 1 . 2]" 1
49 1 6 TYR HB2 1 10 PHE HB2 . . 7.250 5.175 3.402 7.352 0.102 5 0 "[ . 1 . 2]" 1
50 1 6 TYR HB2 1 10 PHE HB3 . . 7.250 4.072 2.450 6.622 . 0 0 "[ . 1 . 2]" 1
51 1 6 TYR HB2 1 10 PHE QD . . 7.620 3.953 2.412 6.807 . 0 0 "[ . 1 . 2]" 1
52 1 6 TYR HB2 1 11 LYS HG2 . . 7.250 4.726 3.023 6.732 . 0 0 "[ . 1 . 2]" 1
53 1 6 TYR HB2 1 11 LYS HG3 . . 7.250 4.345 3.201 6.538 . 0 0 "[ . 1 . 2]" 1
54 1 6 TYR HB2 1 43 TRP HZ2 . . 5.500 4.733 3.521 5.529 0.029 8 0 "[ . 1 . 2]" 1
55 1 6 TYR HB3 1 7 SER H . . 4.820 3.721 2.769 4.450 . 0 0 "[ . 1 . 2]" 1
56 1 6 TYR HB3 1 10 PHE HB2 . . 7.250 5.422 4.134 6.667 . 0 0 "[ . 1 . 2]" 1
57 1 6 TYR HB3 1 10 PHE HB3 . . 7.250 4.491 2.969 5.740 . 0 0 "[ . 1 . 2]" 1
58 1 6 TYR HB3 1 10 PHE QD . . 7.620 4.090 2.325 5.759 . 0 0 "[ . 1 . 2]" 1
59 1 6 TYR HB3 1 11 LYS HG2 . . 7.250 5.239 3.143 7.182 . 0 0 "[ . 1 . 2]" 1
60 1 6 TYR HB3 1 11 LYS HG3 . . 7.250 4.970 2.745 6.602 . 0 0 "[ . 1 . 2]" 1
61 1 6 TYR HB3 1 43 TRP HZ2 . . 5.500 4.872 3.687 5.564 0.064 9 0 "[ . 1 . 2]" 1
62 1 6 TYR QD 1 7 SER H . . 7.640 3.849 2.991 4.844 . 0 0 "[ . 1 . 2]" 1
63 1 6 TYR QD 1 10 PHE QB . . 8.520 4.011 2.111 5.153 . 0 0 "[ . 1 . 2]" 1
64 1 6 TYR QD 1 10 PHE QD . . 9.760 4.021 2.559 5.479 . 0 0 "[ . 1 . 2]" 1
65 1 6 TYR QD 1 35 ILE MG . . 8.670 5.308 3.360 7.038 . 0 0 "[ . 1 . 2]" 1
66 1 6 TYR QD 1 43 TRP HH2 . . 7.640 4.003 2.935 5.887 . 0 0 "[ . 1 . 2]" 1
67 1 6 TYR QD 1 43 TRP HZ2 . . 7.360 3.668 1.843 5.381 . 0 0 "[ . 1 . 2]" 1
68 1 6 TYR QE 1 11 LYS HB3 . . 7.630 6.770 5.092 7.715 0.085 5 0 "[ . 1 . 2]" 1
69 1 6 TYR QE 1 11 LYS QD . . 8.510 4.481 1.765 6.378 . 0 0 "[ . 1 . 2]" 1
70 1 6 TYR QE 1 35 ILE MG . . 8.660 5.326 2.842 8.076 . 0 0 "[ . 1 . 2]" 1
71 1 7 SER H 1 7 SER HB2 . . 3.890 2.868 2.501 3.608 . 0 0 "[ . 1 . 2]" 1
72 1 7 SER H 1 7 SER QB . . 3.600 2.615 2.458 2.822 . 0 0 "[ . 1 . 2]" 1
73 1 7 SER H 1 7 SER HB3 . . 3.890 3.467 2.742 3.912 0.022 5 0 "[ . 1 . 2]" 1
74 1 7 SER H 1 10 PHE H . . 5.000 4.042 3.032 4.786 . 0 0 "[ . 1 . 2]" 1
75 1 7 SER H 1 10 PHE HB2 . . 4.970 3.450 2.364 4.967 . 0 0 "[ . 1 . 2]" 1
76 1 7 SER H 1 10 PHE QB . . 4.230 2.960 1.957 4.191 . 0 0 "[ . 1 . 2]" 1
77 1 7 SER H 1 10 PHE HB3 . . 4.970 3.274 2.088 4.515 . 0 0 "[ . 1 . 2]" 1
78 1 7 SER HA 1 8 GLU H . . 3.170 2.344 2.156 2.750 . 0 0 "[ . 1 . 2]" 1
79 1 7 SER QB 1 8 GLU H . . 3.450 2.630 1.917 3.084 . 0 0 "[ . 1 . 2]" 1
80 1 7 SER QB 1 9 GLU H . . 4.000 2.707 2.406 3.451 . 0 0 "[ . 1 . 2]" 1
81 1 7 SER QB 1 9 GLU QB . . 7.250 2.989 2.145 4.749 . 0 0 "[ . 1 . 2]" 1
82 1 7 SER QB 1 10 PHE H . . 5.700 2.837 2.035 4.046 . 0 0 "[ . 1 . 2]" 1
83 1 7 SER HB2 1 8 GLU H . . 3.980 3.435 1.926 4.021 0.041 8 0 "[ . 1 . 2]" 1
84 1 7 SER HB2 1 9 GLU H . . 4.600 3.183 2.518 4.233 . 0 0 "[ . 1 . 2]" 1
85 1 7 SER HB3 1 8 GLU H . . 3.980 2.984 2.234 3.899 . 0 0 "[ . 1 . 2]" 1
86 1 7 SER HB3 1 9 GLU H . . 4.600 3.272 2.618 4.550 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLU H 1 8 GLU HG2 . . 4.630 2.901 1.828 3.898 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLU H 1 8 GLU QG . . 4.240 2.260 1.756 3.399 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLU H 1 8 GLU HG3 . . 4.630 2.811 1.762 3.744 . 0 0 "[ . 1 . 2]" 1
90 1 8 GLU H 1 9 GLU H . . 3.330 2.627 2.488 2.752 . 0 0 "[ . 1 . 2]" 1
91 1 8 GLU HA 1 11 LYS H . . 4.140 3.329 2.945 3.842 . 0 0 "[ . 1 . 2]" 1
92 1 8 GLU HA 1 11 LYS HB2 . . 3.920 2.982 2.317 3.479 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLU HA 1 11 LYS HB3 . . 4.940 4.521 3.810 4.975 0.035 3 0 "[ . 1 . 2]" 1
94 1 8 GLU HA 1 11 LYS HD2 . . 5.500 3.121 1.784 5.501 0.001 3 0 "[ . 1 . 2]" 1
95 1 8 GLU HA 1 11 LYS QD . . 5.020 2.802 1.779 4.637 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLU HA 1 11 LYS HD3 . . 5.500 3.979 2.345 4.994 . 0 0 "[ . 1 . 2]" 1
97 1 8 GLU HA 1 11 LYS HE2 . . 5.500 4.283 2.104 5.505 0.005 15 0 "[ . 1 . 2]" 1
98 1 8 GLU HA 1 11 LYS HE3 . . 5.500 3.592 2.178 5.351 . 0 0 "[ . 1 . 2]" 1
99 1 8 GLU HA 1 11 LYS QG . . 6.380 2.977 2.444 3.572 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLU HA 1 12 ARG H . . 5.160 4.102 3.795 4.509 . 0 0 "[ . 1 . 2]" 1
101 1 8 GLU HG2 1 9 GLU H . . 5.500 4.123 2.471 5.332 . 0 0 "[ . 1 . 2]" 1
102 1 8 GLU HG3 1 9 GLU H . . 5.500 3.811 2.178 5.181 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLU H 1 9 GLU HB2 . . 3.300 2.471 2.105 3.551 0.251 5 0 "[ . 1 . 2]" 1
104 1 9 GLU H 1 9 GLU HB3 . . 3.300 2.790 2.362 3.526 0.226 17 0 "[ . 1 . 2]" 1
105 1 9 GLU H 1 9 GLU HG2 . . 5.500 4.016 1.875 4.603 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLU H 1 9 GLU HG3 . . 5.500 4.135 1.934 4.524 . 0 0 "[ . 1 . 2]" 1
107 1 9 GLU H 1 10 PHE H . . 3.580 2.688 2.537 3.028 . 0 0 "[ . 1 . 2]" 1
108 1 9 GLU H 1 11 LYS H . . 4.660 4.239 3.959 4.484 . 0 0 "[ . 1 . 2]" 1
109 1 9 GLU HA 1 12 ARG H . . 4.230 3.387 2.972 3.849 . 0 0 "[ . 1 . 2]" 1
110 1 9 GLU HA 1 12 ARG HB2 . . 4.290 3.204 2.293 4.433 0.143 6 0 "[ . 1 . 2]" 1
111 1 9 GLU HA 1 12 ARG QB . . 3.820 2.539 1.943 3.536 . 0 0 "[ . 1 . 2]" 1
112 1 9 GLU HA 1 12 ARG HB3 . . 4.290 2.934 1.962 4.415 0.125 18 0 "[ . 1 . 2]" 1
113 1 9 GLU HA 1 12 ARG HD2 . . 5.500 3.658 2.474 5.234 . 0 0 "[ . 1 . 2]" 1
114 1 9 GLU HA 1 12 ARG HD3 . . 5.500 3.903 2.848 5.071 . 0 0 "[ . 1 . 2]" 1
115 1 9 GLU HA 1 12 ARG QG . . 6.380 3.838 1.740 5.019 . 0 0 "[ . 1 . 2]" 1
116 1 9 GLU HA 1 13 ASP H . . 4.630 4.002 3.697 4.237 . 0 0 "[ . 1 . 2]" 1
117 1 9 GLU HB2 1 10 PHE H . . 3.800 3.576 2.539 3.900 0.100 8 0 "[ . 1 . 2]" 1
118 1 9 GLU HB3 1 10 PHE H . . 3.800 2.932 2.315 3.877 0.077 5 0 "[ . 1 . 2]" 1
119 1 9 GLU QG 1 10 PHE H . . 6.380 3.778 2.563 4.540 . 0 0 "[ . 1 . 2]" 1
120 1 10 PHE H 1 10 PHE HB2 . . 3.860 2.485 2.345 2.581 . 0 0 "[ . 1 . 2]" 1
121 1 10 PHE H 1 10 PHE QB . . 3.420 2.244 2.197 2.289 . 0 0 "[ . 1 . 2]" 1
122 1 10 PHE H 1 10 PHE HB3 . . 3.860 2.568 2.461 2.696 . 0 0 "[ . 1 . 2]" 1
123 1 10 PHE H 1 11 LYS H . . 3.420 2.650 2.433 2.885 . 0 0 "[ . 1 . 2]" 1
124 1 10 PHE HA 1 13 ASP H . . 4.070 3.487 3.201 3.977 . 0 0 "[ . 1 . 2]" 1
125 1 10 PHE HA 1 13 ASP HB2 . . 4.230 3.467 2.712 4.247 0.017 7 0 "[ . 1 . 2]" 1
126 1 10 PHE HA 1 13 ASP QB . . 3.790 2.776 2.245 3.283 . 0 0 "[ . 1 . 2]" 1
127 1 10 PHE HA 1 13 ASP HB3 . . 4.230 3.013 2.306 4.247 0.017 6 0 "[ . 1 . 2]" 1
128 1 10 PHE HA 1 14 ALA H . . 5.000 4.262 3.852 4.735 . 0 0 "[ . 1 . 2]" 1
129 1 10 PHE HA 1 33 LEU QD . . 8.100 5.135 3.967 5.757 . 0 0 "[ . 1 . 2]" 1
130 1 10 PHE HB2 1 11 LYS H . . 5.160 3.803 3.666 3.950 . 0 0 "[ . 1 . 2]" 1
131 1 10 PHE HB3 1 11 LYS H . . 5.160 2.535 2.355 2.773 . 0 0 "[ . 1 . 2]" 1
132 1 10 PHE QD 1 11 LYS H . . 7.620 3.621 3.198 3.952 . 0 0 "[ . 1 . 2]" 1
133 1 10 PHE QD 1 11 LYS HA . . 7.620 3.648 3.230 3.913 . 0 0 "[ . 1 . 2]" 1
134 1 10 PHE QD 1 14 ALA MB . . 8.650 4.229 3.342 4.754 . 0 0 "[ . 1 . 2]" 1
135 1 10 PHE QD 1 33 LEU QD . . 10.220 3.844 3.444 4.171 . 0 0 "[ . 1 . 2]" 1
136 1 10 PHE QD 1 43 TRP HH2 . . 7.620 3.251 2.510 3.975 . 0 0 "[ . 1 . 2]" 1
137 1 10 PHE QD 1 43 TRP HZ3 . . 7.620 3.086 2.458 3.876 . 0 0 "[ . 1 . 2]" 1
138 1 10 PHE QE 1 14 ALA MB . . 8.650 4.264 3.467 4.839 . 0 0 "[ . 1 . 2]" 1
139 1 10 PHE QE 1 33 LEU MD1 . . 8.650 3.877 2.113 4.907 . 0 0 "[ . 1 . 2]" 1
140 1 10 PHE QE 1 33 LEU MD2 . . 8.650 2.838 2.406 4.925 . 0 0 "[ . 1 . 2]" 1
141 1 10 PHE QE 1 35 ILE MD . . 8.650 3.349 2.484 5.068 . 0 0 "[ . 1 . 2]" 1
142 1 10 PHE QE 1 35 ILE MG . . 8.650 3.254 1.792 4.586 . 0 0 "[ . 1 . 2]" 1
143 1 10 PHE QE 1 43 TRP HH2 . . 7.620 2.903 1.990 3.848 . 0 0 "[ . 1 . 2]" 1
144 1 10 PHE QE 1 43 TRP HZ3 . . 7.530 2.654 2.179 3.765 . 0 0 "[ . 1 . 2]" 1
145 1 10 PHE HZ 1 33 LEU QB . . 6.380 3.106 1.780 5.083 . 0 0 "[ . 1 . 2]" 1
146 1 10 PHE HZ 1 33 LEU QD . . 8.100 2.554 1.922 3.190 . 0 0 "[ . 1 . 2]" 1
147 1 10 PHE HZ 1 35 ILE MD . . 6.530 4.453 2.910 6.549 0.019 6 0 "[ . 1 . 2]" 1
148 1 10 PHE HZ 1 35 ILE MG . . 6.530 4.120 2.187 5.956 . 0 0 "[ . 1 . 2]" 1
149 1 11 LYS H 1 11 LYS HB2 . . 3.360 2.577 2.440 2.692 . 0 0 "[ . 1 . 2]" 1
150 1 11 LYS H 1 11 LYS HB3 . . 3.730 3.587 3.569 3.610 . 0 0 "[ . 1 . 2]" 1
151 1 11 LYS H 1 11 LYS HD2 . . 5.500 4.131 3.704 4.762 . 0 0 "[ . 1 . 2]" 1
152 1 11 LYS H 1 11 LYS QD . . 5.120 3.784 3.422 4.181 . 0 0 "[ . 1 . 2]" 1
153 1 11 LYS H 1 11 LYS HD3 . . 5.500 4.526 3.618 4.900 . 0 0 "[ . 1 . 2]" 1
154 1 11 LYS H 1 11 LYS HE2 . . 5.500 4.940 3.829 5.507 0.007 19 0 "[ . 1 . 2]" 1
155 1 11 LYS H 1 11 LYS HE3 . . 5.500 4.507 3.992 5.424 . 0 0 "[ . 1 . 2]" 1
156 1 11 LYS H 1 11 LYS HG2 . . 4.110 3.264 2.945 3.556 . 0 0 "[ . 1 . 2]" 1
157 1 11 LYS H 1 11 LYS QG . . 3.900 2.049 1.801 2.376 . 0 0 "[ . 1 . 2]" 1
158 1 11 LYS H 1 11 LYS HG3 . . 4.110 2.072 1.811 2.419 . 0 0 "[ . 1 . 2]" 1
159 1 11 LYS H 1 12 ARG H . . 3.520 2.589 2.466 2.735 . 0 0 "[ . 1 . 2]" 1
160 1 11 LYS H 1 13 ASP H . . 5.070 4.073 3.732 4.240 . 0 0 "[ . 1 . 2]" 1
161 1 11 LYS H 1 43 TRP HE3 . . 5.500 5.474 5.094 5.619 0.119 20 0 "[ . 1 . 2]" 1
162 1 11 LYS HA 1 11 LYS HD2 . . 5.500 4.632 4.077 5.043 . 0 0 "[ . 1 . 2]" 1
163 1 11 LYS HA 1 11 LYS HD3 . . 5.500 4.518 4.237 4.818 . 0 0 "[ . 1 . 2]" 1
164 1 11 LYS HA 1 11 LYS HE2 . . 5.500 5.158 4.484 5.499 . 0 0 "[ . 1 . 2]" 1
165 1 11 LYS HA 1 11 LYS HE3 . . 5.500 5.178 4.390 5.521 0.021 9 0 "[ . 1 . 2]" 1
166 1 11 LYS HA 1 13 ASP H . . 4.970 4.363 4.033 4.611 . 0 0 "[ . 1 . 2]" 1
167 1 11 LYS HA 1 14 ALA H . . 4.450 3.417 3.198 3.693 . 0 0 "[ . 1 . 2]" 1
168 1 11 LYS HA 1 14 ALA MB . . 6.370 2.648 2.266 2.944 . 0 0 "[ . 1 . 2]" 1
169 1 11 LYS HA 1 15 VAL H . . 4.540 4.446 4.140 4.585 0.045 16 0 "[ . 1 . 2]" 1
170 1 11 LYS HA 1 43 TRP HE3 . . 4.910 2.815 2.553 3.019 . 0 0 "[ . 1 . 2]" 1
171 1 11 LYS HA 1 43 TRP HZ3 . . 5.500 3.536 2.993 3.983 . 0 0 "[ . 1 . 2]" 1
172 1 11 LYS HB2 1 11 LYS HE2 . . 5.500 4.073 2.850 4.683 . 0 0 "[ . 1 . 2]" 1
173 1 11 LYS HB2 1 11 LYS HE3 . . 5.500 3.794 2.039 4.411 . 0 0 "[ . 1 . 2]" 1
174 1 11 LYS HB2 1 12 ARG H . . 3.830 2.608 2.400 2.835 . 0 0 "[ . 1 . 2]" 1
175 1 11 LYS HB2 1 47 TYR QD . . 7.640 4.227 3.748 4.815 . 0 0 "[ . 1 . 2]" 1
176 1 11 LYS HB2 1 47 TYR QE . . 7.630 3.911 2.920 4.849 . 0 0 "[ . 1 . 2]" 1
177 1 11 LYS HB3 1 11 LYS HE2 . . 5.500 3.952 2.254 4.478 . 0 0 "[ . 1 . 2]" 1
178 1 11 LYS HB3 1 11 LYS HE3 . . 5.500 4.039 2.588 4.664 . 0 0 "[ . 1 . 2]" 1
179 1 11 LYS HB3 1 12 ARG H . . 4.320 3.748 3.437 3.954 . 0 0 "[ . 1 . 2]" 1
180 1 11 LYS HB3 1 43 TRP QB . . 6.380 2.658 2.204 3.285 . 0 0 "[ . 1 . 2]" 1
181 1 11 LYS HB3 1 43 TRP HE3 . . 5.500 3.769 3.036 4.601 . 0 0 "[ . 1 . 2]" 1
182 1 11 LYS HB3 1 47 TYR QD . . 7.640 3.687 3.072 4.441 . 0 0 "[ . 1 . 2]" 1
183 1 11 LYS HB3 1 47 TYR QE . . 7.630 3.559 2.422 4.543 . 0 0 "[ . 1 . 2]" 1
184 1 11 LYS QD 1 12 ARG H . . 6.380 4.693 4.200 5.447 . 0 0 "[ . 1 . 2]" 1
185 1 11 LYS QD 1 47 TYR QE . . 7.470 2.706 1.915 3.950 . 0 0 "[ . 1 . 2]" 1
186 1 11 LYS HD2 1 43 TRP HD1 . . 5.500 5.009 3.718 5.543 0.043 5 0 "[ . 1 . 2]" 1
187 1 11 LYS HD2 1 43 TRP HE1 . . 5.500 4.702 2.569 5.525 0.025 13 0 "[ . 1 . 2]" 1
188 1 11 LYS HD2 1 47 TYR QE . . 7.630 3.369 2.322 4.746 . 0 0 "[ . 1 . 2]" 1
189 1 11 LYS HD3 1 43 TRP HD1 . . 5.500 4.255 2.990 5.601 0.101 16 0 "[ . 1 . 2]" 1
190 1 11 LYS HD3 1 43 TRP HE1 . . 5.500 4.060 3.199 5.541 0.041 16 0 "[ . 1 . 2]" 1
191 1 11 LYS HD3 1 47 TYR QE . . 7.630 3.113 1.930 5.177 . 0 0 "[ . 1 . 2]" 1
192 1 11 LYS QE 1 43 TRP HE1 . . 5.050 3.284 2.475 4.710 . 0 0 "[ . 1 . 2]" 1
193 1 11 LYS HE2 1 43 TRP HE1 . . 5.310 3.694 2.525 5.422 0.112 18 0 "[ . 1 . 2]" 1
194 1 11 LYS HE2 1 43 TRP HZ2 . . 5.500 4.166 3.086 5.552 0.052 3 0 "[ . 1 . 2]" 1
195 1 11 LYS HE3 1 43 TRP HE1 . . 5.310 4.465 2.504 5.320 0.010 6 0 "[ . 1 . 2]" 1
196 1 11 LYS HE3 1 43 TRP HZ2 . . 5.500 4.746 3.775 5.632 0.132 4 0 "[ . 1 . 2]" 1
197 1 11 LYS QG 1 43 TRP HE1 . . 6.380 4.093 3.413 4.833 . 0 0 "[ . 1 . 2]" 1
198 1 11 LYS HG2 1 12 ARG H . . 5.500 4.908 4.758 5.057 . 0 0 "[ . 1 . 2]" 1
199 1 11 LYS HG3 1 12 ARG H . . 5.500 4.102 3.802 4.399 . 0 0 "[ . 1 . 2]" 1
200 1 12 ARG H 1 12 ARG HB2 . . 3.700 2.588 2.215 3.642 . 0 0 "[ . 1 . 2]" 1
201 1 12 ARG H 1 12 ARG QB . . 3.410 2.268 2.127 2.578 . 0 0 "[ . 1 . 2]" 1
202 1 12 ARG H 1 12 ARG HB3 . . 3.700 2.721 2.206 3.631 . 0 0 "[ . 1 . 2]" 1
203 1 12 ARG H 1 12 ARG HD2 . . 5.500 4.562 3.904 5.773 0.273 9 0 "[ . 1 . 2]" 1
204 1 12 ARG H 1 12 ARG HD3 . . 5.500 4.849 4.386 5.653 0.153 17 0 "[ . 1 . 2]" 1
205 1 12 ARG H 1 12 ARG HG2 . . 5.190 4.172 3.190 4.545 . 0 0 "[ . 1 . 2]" 1
206 1 12 ARG H 1 12 ARG QG . . 4.600 3.464 2.180 4.032 . 0 0 "[ . 1 . 2]" 1
207 1 12 ARG H 1 12 ARG HG3 . . 5.190 3.810 2.205 4.611 . 0 0 "[ . 1 . 2]" 1
208 1 12 ARG H 1 13 ASP H . . 3.520 2.640 2.494 2.790 . 0 0 "[ . 1 . 2]" 1
209 1 12 ARG HA 1 12 ARG HD2 . . 5.500 4.384 3.752 4.663 . 0 0 "[ . 1 . 2]" 1
210 1 12 ARG HA 1 12 ARG HD3 . . 5.500 4.471 3.805 4.719 . 0 0 "[ . 1 . 2]" 1
211 1 12 ARG HA 1 15 VAL H . . 3.980 3.435 2.943 3.767 . 0 0 "[ . 1 . 2]" 1
212 1 12 ARG HA 1 15 VAL HB . . 3.640 3.160 2.748 3.532 . 0 0 "[ . 1 . 2]" 1
213 1 12 ARG HA 1 15 VAL QG . . 8.090 2.697 2.173 3.428 . 0 0 "[ . 1 . 2]" 1
214 1 12 ARG HA 1 16 ALA H . . 4.760 4.462 3.980 4.847 0.087 3 0 "[ . 1 . 2]" 1
215 1 12 ARG HA 1 47 TYR QB . . 6.380 3.572 2.676 4.547 . 0 0 "[ . 1 . 2]" 1
216 1 12 ARG QB 1 13 ASP H . . 3.780 2.663 2.332 3.661 . 0 0 "[ . 1 . 2]" 1
217 1 12 ARG HB2 1 13 ASP H . . 4.110 3.622 2.466 4.106 . 0 0 "[ . 1 . 2]" 1
218 1 12 ARG HB3 1 13 ASP H . . 4.110 2.939 2.356 4.146 0.036 6 0 "[ . 1 . 2]" 1
219 1 12 ARG HG2 1 13 ASP H . . 5.500 4.198 3.554 5.085 . 0 0 "[ . 1 . 2]" 1
220 1 12 ARG HG2 1 47 TYR QD . . 7.640 5.783 2.760 7.507 . 0 0 "[ . 1 . 2]" 1
221 1 12 ARG HG3 1 13 ASP H . . 5.500 4.493 2.493 4.979 . 0 0 "[ . 1 . 2]" 1
222 1 12 ARG HG3 1 47 TYR QD . . 7.640 5.164 3.459 7.096 . 0 0 "[ . 1 . 2]" 1
223 1 13 ASP H 1 13 ASP HB2 . . 3.730 2.475 2.189 2.639 . 0 0 "[ . 1 . 2]" 1
224 1 13 ASP H 1 13 ASP QB . . 3.350 2.241 2.167 2.270 . 0 0 "[ . 1 . 2]" 1
225 1 13 ASP H 1 13 ASP HB3 . . 3.730 2.627 2.418 3.491 . 0 0 "[ . 1 . 2]" 1
226 1 13 ASP HA 1 16 ALA H . . 3.360 3.267 3.084 3.406 0.046 15 0 "[ . 1 . 2]" 1
227 1 13 ASP HA 1 16 ALA MB . . 5.040 2.585 2.301 2.800 . 0 0 "[ . 1 . 2]" 1
228 1 13 ASP HA 1 17 LEU H . . 4.510 4.180 3.873 4.467 . 0 0 "[ . 1 . 2]" 1
229 1 13 ASP HA 1 17 LEU QD . . 8.100 4.877 4.297 5.728 . 0 0 "[ . 1 . 2]" 1
230 1 13 ASP QB 1 14 ALA H . . 4.110 2.639 2.496 2.791 . 0 0 "[ . 1 . 2]" 1
231 1 13 ASP QB 1 33 LEU QD . . 8.050 4.418 3.517 4.965 . 0 0 "[ . 1 . 2]" 1
232 1 13 ASP HB2 1 14 ALA H . . 4.410 3.813 2.889 4.002 . 0 0 "[ . 1 . 2]" 1
233 1 13 ASP HB2 1 16 ALA MB . . 6.530 4.646 4.410 5.006 . 0 0 "[ . 1 . 2]" 1
234 1 13 ASP HB2 1 33 LEU MD1 . . 9.670 6.982 5.219 8.305 . 0 0 "[ . 1 . 2]" 1
235 1 13 ASP HB2 1 33 LEU MD2 . . 9.670 6.299 5.571 7.031 . 0 0 "[ . 1 . 2]" 1
236 1 13 ASP HB3 1 14 ALA H . . 4.410 2.714 2.537 3.310 . 0 0 "[ . 1 . 2]" 1
237 1 13 ASP HB3 1 16 ALA MB . . 6.530 4.876 4.197 5.076 . 0 0 "[ . 1 . 2]" 1
238 1 13 ASP HB3 1 33 LEU MD1 . . 9.670 5.683 3.756 7.033 . 0 0 "[ . 1 . 2]" 1
239 1 13 ASP HB3 1 33 LEU MD2 . . 9.670 4.927 4.158 5.991 . 0 0 "[ . 1 . 2]" 1
240 1 14 ALA H 1 15 VAL H . . 3.170 2.690 2.595 2.779 . 0 0 "[ . 1 . 2]" 1
241 1 14 ALA H 1 15 VAL QG . . 8.090 3.977 3.853 4.118 . 0 0 "[ . 1 . 2]" 1
242 1 14 ALA H 1 17 LEU QD . . 8.100 4.549 3.763 5.938 . 0 0 "[ . 1 . 2]" 1
243 1 14 ALA H 1 43 TRP HZ3 . . 5.500 5.413 5.059 5.548 0.048 17 0 "[ . 1 . 2]" 1
244 1 14 ALA HA 1 16 ALA H . . 5.500 4.354 4.131 4.523 . 0 0 "[ . 1 . 2]" 1
245 1 14 ALA HA 1 17 LEU H . . 4.350 3.290 3.064 3.576 . 0 0 "[ . 1 . 2]" 1
246 1 14 ALA HA 1 17 LEU HB2 . . 3.920 2.680 2.324 3.348 . 0 0 "[ . 1 . 2]" 1
247 1 14 ALA HA 1 17 LEU QB . . 3.740 2.493 2.307 2.836 . 0 0 "[ . 1 . 2]" 1
248 1 14 ALA HA 1 17 LEU HB3 . . 3.920 3.550 2.486 3.976 0.056 16 0 "[ . 1 . 2]" 1
249 1 14 ALA HA 1 17 LEU MD1 . . 6.530 3.392 1.779 5.314 . 0 0 "[ . 1 . 2]" 1
250 1 14 ALA HA 1 17 LEU QD . . 5.640 2.623 1.777 4.238 . 0 0 "[ . 1 . 2]" 1
251 1 14 ALA HA 1 17 LEU MD2 . . 6.530 3.895 2.942 4.990 . 0 0 "[ . 1 . 2]" 1
252 1 14 ALA HA 1 17 LEU HG . . 5.500 3.763 2.617 5.148 . 0 0 "[ . 1 . 2]" 1
253 1 14 ALA HA 1 33 LEU MD1 . . 6.530 4.227 2.485 5.263 . 0 0 "[ . 1 . 2]" 1
254 1 14 ALA HA 1 33 LEU MD2 . . 6.530 3.438 2.490 4.494 . 0 0 "[ . 1 . 2]" 1
255 1 14 ALA HA 1 40 LEU MD1 . . 6.530 3.589 3.115 3.996 . 0 0 "[ . 1 . 2]" 1
256 1 14 ALA MB 1 15 VAL HA . . 6.530 3.898 3.823 3.970 . 0 0 "[ . 1 . 2]" 1
257 1 14 ALA MB 1 33 LEU QD . . 9.130 2.496 2.022 3.107 . 0 0 "[ . 1 . 2]" 1
258 1 14 ALA MB 1 40 LEU MD1 . . 7.560 1.970 1.786 2.262 . 0 0 "[ . 1 . 2]" 1
259 1 14 ALA MB 1 40 LEU MD2 . . 7.560 3.905 3.518 4.159 . 0 0 "[ . 1 . 2]" 1
260 1 14 ALA MB 1 43 TRP HE3 . . 5.440 2.479 2.108 2.748 . 0 0 "[ . 1 . 2]" 1
261 1 14 ALA MB 1 43 TRP HZ3 . . 5.940 3.146 2.616 3.659 . 0 0 "[ . 1 . 2]" 1
262 1 15 VAL H 1 15 VAL HB . . 2.930 2.588 2.523 2.654 . 0 0 "[ . 1 . 2]" 1
263 1 15 VAL H 1 16 ALA H . . 3.020 2.608 2.532 2.726 . 0 0 "[ . 1 . 2]" 1
264 1 15 VAL H 1 16 ALA MB . . 6.530 4.297 4.233 4.397 . 0 0 "[ . 1 . 2]" 1
265 1 15 VAL H 1 44 ILE HA . . 5.190 5.038 4.532 5.228 0.038 20 0 "[ . 1 . 2]" 1
266 1 15 VAL HA 1 18 TYR H . . 3.890 3.343 3.113 3.512 . 0 0 "[ . 1 . 2]" 1
267 1 15 VAL HA 1 18 TYR HB2 . . 4.380 3.324 3.044 3.851 . 0 0 "[ . 1 . 2]" 1
268 1 15 VAL HA 1 18 TYR QB . . 3.960 2.782 2.360 3.149 . 0 0 "[ . 1 . 2]" 1
269 1 15 VAL HA 1 18 TYR HB3 . . 4.380 3.020 2.420 3.596 . 0 0 "[ . 1 . 2]" 1
270 1 15 VAL HA 1 18 TYR QD . . 7.640 4.492 3.702 4.986 . 0 0 "[ . 1 . 2]" 1
271 1 15 VAL HA 1 19 GLU H . . 5.340 4.723 4.142 5.285 . 0 0 "[ . 1 . 2]" 1
272 1 15 VAL HA 1 40 LEU MD1 . . 6.000 4.344 3.788 5.465 . 0 0 "[ . 1 . 2]" 1
273 1 15 VAL HA 1 44 ILE MD . . 6.530 3.503 2.060 4.050 . 0 0 "[ . 1 . 2]" 1
274 1 15 VAL HA 1 44 ILE HG12 . . 5.500 2.410 1.876 2.938 . 0 0 "[ . 1 . 2]" 1
275 1 15 VAL HA 1 44 ILE QG . . 4.890 2.332 1.770 2.671 . 0 0 "[ . 1 . 2]" 1
276 1 15 VAL HA 1 44 ILE HG13 . . 5.500 3.806 1.784 4.270 . 0 0 "[ . 1 . 2]" 1
277 1 15 VAL HB 1 16 ALA H . . 2.770 2.649 2.505 2.787 0.017 13 0 "[ . 1 . 2]" 1
278 1 15 VAL HB 1 47 TYR QB . . 6.380 4.231 3.579 4.974 . 0 0 "[ . 1 . 2]" 1
279 1 15 VAL HB 1 48 GLY H . . 5.500 5.524 5.188 5.601 0.101 13 0 "[ . 1 . 2]" 1
280 1 15 VAL QG 1 16 ALA HA . . 8.090 3.558 3.464 3.743 . 0 0 "[ . 1 . 2]" 1
281 1 15 VAL QG 1 18 TYR QD . . 10.230 3.865 3.047 4.358 . 0 0 "[ . 1 . 2]" 1
282 1 15 VAL QG 1 19 GLU H . . 8.090 4.334 3.901 4.849 . 0 0 "[ . 1 . 2]" 1
283 1 15 VAL QG 1 19 GLU QG . . 8.010 3.371 2.917 4.342 . 0 0 "[ . 1 . 2]" 1
284 1 15 VAL QG 1 40 LEU MD1 . . 9.120 4.159 3.766 4.870 . 0 0 "[ . 1 . 2]" 1
285 1 15 VAL QG 1 43 TRP HA . . 8.090 4.459 4.131 4.998 . 0 0 "[ . 1 . 2]" 1
286 1 15 VAL QG 1 43 TRP QB . . 7.440 3.018 2.631 3.559 . 0 0 "[ . 1 . 2]" 1
287 1 15 VAL QG 1 43 TRP HE3 . . 8.090 4.452 4.117 5.132 . 0 0 "[ . 1 . 2]" 1
288 1 15 VAL QG 1 44 ILE HA . . 5.140 1.816 1.743 2.027 . 0 0 "[ . 1 . 2]" 1
289 1 15 VAL QG 1 44 ILE QG . . 6.740 2.389 1.766 2.755 . 0 0 "[ . 1 . 2]" 1
290 1 15 VAL QG 1 47 TYR QB . . 5.890 2.212 1.740 2.677 . 0 0 "[ . 1 . 2]" 1
291 1 15 VAL QG 1 47 TYR QE . . 10.220 5.031 4.356 5.509 . 0 0 "[ . 1 . 2]" 1
292 1 15 VAL QG 1 48 GLY QA . . 5.960 2.399 1.870 2.949 . 0 0 "[ . 1 . 2]" 1
293 1 15 VAL QG 1 49 SER H . . 8.090 4.767 4.495 5.101 . 0 0 "[ . 1 . 2]" 1
294 1 15 VAL MG1 1 16 ALA H . . 6.530 3.551 3.429 3.735 . 0 0 "[ . 1 . 2]" 1
295 1 15 VAL MG1 1 19 GLU HG2 . . 9.650 4.005 3.147 5.308 . 0 0 "[ . 1 . 2]" 1
296 1 15 VAL MG1 1 19 GLU HG3 . . 9.650 3.955 3.064 5.992 . 0 0 "[ . 1 . 2]" 1
297 1 15 VAL MG1 1 43 TRP HB2 . . 9.650 5.879 5.483 6.774 . 0 0 "[ . 1 . 2]" 1
298 1 15 VAL MG1 1 43 TRP HB3 . . 9.650 5.572 5.066 6.214 . 0 0 "[ . 1 . 2]" 1
299 1 15 VAL MG1 1 44 ILE H . . 6.530 4.988 4.555 5.719 . 0 0 "[ . 1 . 2]" 1
300 1 15 VAL MG1 1 44 ILE HA . . 5.570 2.688 2.233 3.369 . 0 0 "[ . 1 . 2]" 1
301 1 15 VAL MG1 1 44 ILE MD . . 7.560 4.014 3.314 4.560 . 0 0 "[ . 1 . 2]" 1
302 1 15 VAL MG1 1 44 ILE HG12 . . 8.280 3.132 2.668 3.975 . 0 0 "[ . 1 . 2]" 1
303 1 15 VAL MG1 1 44 ILE HG13 . . 8.280 4.324 1.830 5.300 . 0 0 "[ . 1 . 2]" 1
304 1 15 VAL MG1 1 47 TYR H . . 6.530 4.909 4.451 5.381 . 0 0 "[ . 1 . 2]" 1
305 1 15 VAL MG1 1 47 TYR HB2 . . 6.530 3.910 3.155 4.505 . 0 0 "[ . 1 . 2]" 1
306 1 15 VAL MG1 1 47 TYR HB3 . . 6.530 4.400 3.576 5.115 . 0 0 "[ . 1 . 2]" 1
307 1 15 VAL MG1 1 47 TYR QD . . 8.670 5.280 4.602 5.853 . 0 0 "[ . 1 . 2]" 1
308 1 15 VAL MG1 1 48 GLY H . . 6.530 3.482 3.139 3.750 . 0 0 "[ . 1 . 2]" 1
309 1 15 VAL MG1 1 48 GLY HA2 . . 6.530 3.098 2.342 3.945 . 0 0 "[ . 1 . 2]" 1
310 1 15 VAL MG1 1 48 GLY HA3 . . 6.530 2.680 1.910 3.267 . 0 0 "[ . 1 . 2]" 1
311 1 15 VAL MG2 1 16 ALA H . . 6.530 3.778 3.708 3.829 . 0 0 "[ . 1 . 2]" 1
312 1 15 VAL MG2 1 19 GLU HG2 . . 9.650 6.518 5.728 7.768 . 0 0 "[ . 1 . 2]" 1
313 1 15 VAL MG2 1 19 GLU HG3 . . 9.650 6.424 5.566 8.032 . 0 0 "[ . 1 . 2]" 1
314 1 15 VAL MG2 1 43 TRP HB2 . . 9.650 3.749 3.430 4.542 . 0 0 "[ . 1 . 2]" 1
315 1 15 VAL MG2 1 43 TRP HB3 . . 9.650 3.223 2.718 3.774 . 0 0 "[ . 1 . 2]" 1
316 1 15 VAL MG2 1 44 ILE H . . 6.530 3.583 3.344 4.050 . 0 0 "[ . 1 . 2]" 1
317 1 15 VAL MG2 1 44 ILE HA . . 5.570 1.857 1.773 2.055 . 0 0 "[ . 1 . 2]" 1
318 1 15 VAL MG2 1 44 ILE MD . . 7.560 3.956 2.427 4.338 . 0 0 "[ . 1 . 2]" 1
319 1 15 VAL MG2 1 44 ILE HG12 . . 8.280 2.717 2.068 3.911 . 0 0 "[ . 1 . 2]" 1
320 1 15 VAL MG2 1 44 ILE HG13 . . 8.280 3.297 2.408 3.905 . 0 0 "[ . 1 . 2]" 1
321 1 15 VAL MG2 1 47 TYR H . . 6.530 3.768 3.444 4.050 . 0 0 "[ . 1 . 2]" 1
322 1 15 VAL MG2 1 47 TYR HB2 . . 6.530 2.283 1.779 2.802 . 0 0 "[ . 1 . 2]" 1
323 1 15 VAL MG2 1 47 TYR HB3 . . 6.530 3.193 2.551 3.630 . 0 0 "[ . 1 . 2]" 1
324 1 15 VAL MG2 1 47 TYR QD . . 8.670 3.605 2.885 4.262 . 0 0 "[ . 1 . 2]" 1
325 1 15 VAL MG2 1 48 GLY H . . 6.530 3.312 3.017 3.565 . 0 0 "[ . 1 . 2]" 1
326 1 15 VAL MG2 1 48 GLY HA2 . . 6.530 4.214 3.390 5.068 . 0 0 "[ . 1 . 2]" 1
327 1 15 VAL MG2 1 48 GLY HA3 . . 6.530 3.828 3.068 4.583 . 0 0 "[ . 1 . 2]" 1
328 1 16 ALA H 1 16 ALA HA . . 2.900 2.832 2.811 2.856 . 0 0 "[ . 1 . 2]" 1
329 1 16 ALA H 1 17 LEU H . . 3.760 2.583 2.486 2.636 . 0 0 "[ . 1 . 2]" 1
330 1 16 ALA HA 1 19 GLU H . . 3.980 3.300 3.090 3.629 . 0 0 "[ . 1 . 2]" 1
331 1 16 ALA HA 1 19 GLU QB . . 4.240 3.107 2.746 3.999 . 0 0 "[ . 1 . 2]" 1
332 1 16 ALA HA 1 19 GLU HG2 . . 5.500 3.652 1.862 5.027 . 0 0 "[ . 1 . 2]" 1
333 1 16 ALA HA 1 19 GLU HG3 . . 5.500 2.926 2.061 3.892 . 0 0 "[ . 1 . 2]" 1
334 1 16 ALA HA 1 20 ASN HD21 . . 5.500 4.306 3.584 4.769 . 0 0 "[ . 1 . 2]" 1
335 1 16 ALA HA 1 20 ASN HD22 . . 5.500 4.930 4.401 5.412 . 0 0 "[ . 1 . 2]" 1
336 1 16 ALA MB 1 17 LEU HA . . 6.530 3.918 3.856 3.973 . 0 0 "[ . 1 . 2]" 1
337 1 16 ALA MB 1 19 GLU H . . 6.530 4.450 4.284 4.681 . 0 0 "[ . 1 . 2]" 1
338 1 16 ALA MB 1 19 GLU QB . . 7.410 3.977 3.632 5.044 . 0 0 "[ . 1 . 2]" 1
339 1 16 ALA MB 1 19 GLU QG . . 7.410 4.006 3.335 4.636 . 0 0 "[ . 1 . 2]" 1
340 1 16 ALA MB 1 20 ASN QB . . 7.410 5.180 4.349 5.693 . 0 0 "[ . 1 . 2]" 1
341 1 16 ALA MB 1 20 ASN HD21 . . 6.530 3.807 3.003 4.624 . 0 0 "[ . 1 . 2]" 1
342 1 16 ALA MB 1 20 ASN HD22 . . 6.530 3.941 3.340 4.472 . 0 0 "[ . 1 . 2]" 1
343 1 17 LEU H 1 17 LEU HB2 . . 3.670 2.320 2.077 2.497 . 0 0 "[ . 1 . 2]" 1
344 1 17 LEU H 1 17 LEU QB . . 3.390 2.245 2.055 2.409 . 0 0 "[ . 1 . 2]" 1
345 1 17 LEU H 1 17 LEU HB3 . . 3.670 3.211 2.494 3.584 . 0 0 "[ . 1 . 2]" 1
346 1 17 LEU H 1 17 LEU HG . . 4.910 3.473 2.329 4.561 . 0 0 "[ . 1 . 2]" 1
347 1 17 LEU HA 1 20 ASN H . . 4.110 3.434 3.016 3.811 . 0 0 "[ . 1 . 2]" 1
348 1 17 LEU HA 1 20 ASN HB2 . . 4.660 2.844 2.214 3.112 . 0 0 "[ . 1 . 2]" 1
349 1 17 LEU HA 1 20 ASN QB . . 4.190 2.814 2.202 3.070 . 0 0 "[ . 1 . 2]" 1
350 1 17 LEU HA 1 20 ASN HB3 . . 4.660 4.492 3.871 4.735 0.075 20 0 "[ . 1 . 2]" 1
351 1 17 LEU QB 1 18 TYR H . . 3.470 2.697 2.484 2.816 . 0 0 "[ . 1 . 2]" 1
352 1 17 LEU QB 1 29 ILE MD . . 7.410 2.353 1.776 3.561 . 0 0 "[ . 1 . 2]" 1
353 1 17 LEU HB2 1 18 TYR H . . 3.760 3.195 2.680 3.829 0.069 7 0 "[ . 1 . 2]" 1
354 1 17 LEU HB3 1 18 TYR H . . 3.760 3.231 2.517 3.783 0.023 13 0 "[ . 1 . 2]" 1
355 1 17 LEU MD1 1 18 TYR H . . 6.530 4.525 3.788 4.778 . 0 0 "[ . 1 . 2]" 1
356 1 17 LEU MD1 1 32 ASP HB2 . . 6.530 6.005 5.380 6.554 0.024 7 0 "[ . 1 . 2]" 1
357 1 17 LEU MD1 1 32 ASP HB3 . . 6.530 5.125 4.397 6.252 . 0 0 "[ . 1 . 2]" 1
358 1 17 LEU MD2 1 18 TYR H . . 6.530 4.652 4.294 4.803 . 0 0 "[ . 1 . 2]" 1
359 1 17 LEU MD2 1 32 ASP HB2 . . 6.530 6.099 4.418 6.624 0.094 20 0 "[ . 1 . 2]" 1
360 1 17 LEU MD2 1 32 ASP HB3 . . 6.530 5.227 3.617 6.057 . 0 0 "[ . 1 . 2]" 1
361 1 17 LEU HG 1 18 TYR H . . 5.220 4.599 3.788 5.231 0.011 1 0 "[ . 1 . 2]" 1
362 1 18 TYR H 1 18 TYR HB2 . . 3.360 2.557 2.449 2.772 . 0 0 "[ . 1 . 2]" 1
363 1 18 TYR H 1 18 TYR HB3 . . 3.360 2.526 2.336 2.653 . 0 0 "[ . 1 . 2]" 1
364 1 18 TYR H 1 19 GLU H . . 3.210 2.603 2.502 2.735 . 0 0 "[ . 1 . 2]" 1
365 1 18 TYR H 1 19 GLU QG . . 6.260 4.253 3.933 4.649 . 0 0 "[ . 1 . 2]" 1
366 1 18 TYR HA 1 29 ILE MD . . 6.500 3.738 2.258 4.626 . 0 0 "[ . 1 . 2]" 1
367 1 18 TYR HA 1 29 ILE HG12 . . 5.500 4.744 3.755 5.410 . 0 0 "[ . 1 . 2]" 1
368 1 18 TYR HA 1 29 ILE QG . . 4.990 3.313 2.195 4.266 . 0 0 "[ . 1 . 2]" 1
369 1 18 TYR HA 1 29 ILE HG13 . . 5.500 3.445 2.210 5.122 . 0 0 "[ . 1 . 2]" 1
370 1 18 TYR HA 1 29 ILE MG . . 6.530 4.018 3.092 4.936 . 0 0 "[ . 1 . 2]" 1
371 1 18 TYR QB 1 19 GLU H . . 3.620 2.815 2.602 2.959 . 0 0 "[ . 1 . 2]" 1
372 1 18 TYR QB 1 40 LEU MD1 . . 7.410 3.931 3.210 5.065 . 0 0 "[ . 1 . 2]" 1
373 1 18 TYR QB 1 40 LEU MD2 . . 7.410 3.873 3.060 4.710 . 0 0 "[ . 1 . 2]" 1
374 1 18 TYR QB 1 41 LYS QG . . 6.780 6.468 5.330 6.917 0.137 8 0 "[ . 1 . 2]" 1
375 1 18 TYR HB2 1 19 GLU H . . 4.040 4.023 3.917 4.093 0.053 17 0 "[ . 1 . 2]" 1
376 1 18 TYR HB2 1 29 ILE MD . . 6.530 4.970 3.233 5.925 . 0 0 "[ . 1 . 2]" 1
377 1 18 TYR HB2 1 29 ILE MG . . 6.530 3.965 2.657 4.846 . 0 0 "[ . 1 . 2]" 1
378 1 18 TYR HB2 1 44 ILE MD . . 6.530 2.404 2.040 2.827 . 0 0 "[ . 1 . 2]" 1
379 1 18 TYR HB3 1 19 GLU H . . 4.040 2.876 2.638 3.040 . 0 0 "[ . 1 . 2]" 1
380 1 18 TYR HB3 1 29 ILE MD . . 6.530 5.883 4.364 6.588 0.058 3 0 "[ . 1 . 2]" 1
381 1 18 TYR HB3 1 29 ILE MG . . 6.530 5.286 4.026 6.047 . 0 0 "[ . 1 . 2]" 1
382 1 18 TYR HB3 1 44 ILE MD . . 6.530 3.152 2.897 3.773 . 0 0 "[ . 1 . 2]" 1
383 1 18 TYR QD 1 19 GLU H . . 7.640 3.967 3.279 4.339 . 0 0 "[ . 1 . 2]" 1
384 1 18 TYR QD 1 19 GLU HA . . 7.640 3.972 3.369 4.330 . 0 0 "[ . 1 . 2]" 1
385 1 18 TYR QD 1 19 GLU HG2 . . 7.640 4.189 2.885 5.314 . 0 0 "[ . 1 . 2]" 1
386 1 18 TYR QD 1 19 GLU HG3 . . 7.640 4.910 3.807 6.030 . 0 0 "[ . 1 . 2]" 1
387 1 18 TYR QD 1 24 ALA MB . . 8.670 6.208 4.656 7.993 . 0 0 "[ . 1 . 2]" 1
388 1 18 TYR QD 1 26 LEU HA . . 7.640 3.767 2.587 4.965 . 0 0 "[ . 1 . 2]" 1
389 1 18 TYR QD 1 26 LEU QB . . 8.520 4.247 3.285 5.022 . 0 0 "[ . 1 . 2]" 1
390 1 18 TYR QD 1 26 LEU MD1 . . 8.670 3.510 2.109 5.261 . 0 0 "[ . 1 . 2]" 1
391 1 18 TYR QD 1 26 LEU MD2 . . 8.670 3.914 1.863 4.772 . 0 0 "[ . 1 . 2]" 1
392 1 18 TYR QD 1 26 LEU HG . . 7.640 3.767 2.276 5.440 . 0 0 "[ . 1 . 2]" 1
393 1 18 TYR QD 1 29 ILE HB . . 7.640 4.884 3.695 5.870 . 0 0 "[ . 1 . 2]" 1
394 1 18 TYR QD 1 29 ILE MD . . 8.670 4.788 2.456 5.965 . 0 0 "[ . 1 . 2]" 1
395 1 18 TYR QD 1 29 ILE HG12 . . 7.640 5.076 3.572 6.501 . 0 0 "[ . 1 . 2]" 1
396 1 18 TYR QD 1 29 ILE HG13 . . 7.640 4.018 2.674 5.183 . 0 0 "[ . 1 . 2]" 1
397 1 18 TYR QD 1 29 ILE MG . . 8.670 4.388 3.406 5.282 . 0 0 "[ . 1 . 2]" 1
398 1 18 TYR QD 1 44 ILE MD . . 8.670 2.741 2.277 3.034 . 0 0 "[ . 1 . 2]" 1
399 1 18 TYR QD 1 44 ILE MG . . 8.670 2.871 2.339 3.387 . 0 0 "[ . 1 . 2]" 1
400 1 18 TYR QE 1 19 GLU H . . 7.630 5.934 5.214 6.278 . 0 0 "[ . 1 . 2]" 1
401 1 18 TYR QE 1 26 LEU H . . 7.630 5.033 3.541 7.188 . 0 0 "[ . 1 . 2]" 1
402 1 18 TYR QE 1 26 LEU HA . . 7.630 4.311 2.835 5.754 . 0 0 "[ . 1 . 2]" 1
403 1 18 TYR QE 1 26 LEU HB2 . . 7.630 3.490 1.920 5.460 . 0 0 "[ . 1 . 2]" 1
404 1 18 TYR QE 1 26 LEU HB3 . . 7.630 4.755 3.659 5.905 . 0 0 "[ . 1 . 2]" 1
405 1 18 TYR QE 1 26 LEU MD1 . . 8.660 2.616 1.887 5.231 . 0 0 "[ . 1 . 2]" 1
406 1 18 TYR QE 1 26 LEU MD2 . . 8.660 3.550 2.192 4.595 . 0 0 "[ . 1 . 2]" 1
407 1 18 TYR QE 1 26 LEU HG . . 7.630 3.459 1.770 5.075 . 0 0 "[ . 1 . 2]" 1
408 1 18 TYR QE 1 29 ILE MD . . 8.660 6.296 3.600 7.540 . 0 0 "[ . 1 . 2]" 1
409 1 18 TYR QE 1 29 ILE MG . . 8.660 6.141 5.234 6.978 . 0 0 "[ . 1 . 2]" 1
410 1 18 TYR QE 1 44 ILE MD . . 8.660 3.519 3.134 4.034 . 0 0 "[ . 1 . 2]" 1
411 1 18 TYR QE 1 44 ILE MG . . 8.660 3.380 2.518 3.930 . 0 0 "[ . 1 . 2]" 1
412 1 19 GLU H 1 19 GLU HB2 . . 3.730 2.569 2.251 3.644 . 0 0 "[ . 1 . 2]" 1
413 1 19 GLU H 1 19 GLU QB . . 3.500 2.425 2.227 2.566 . 0 0 "[ . 1 . 2]" 1
414 1 19 GLU H 1 19 GLU HB3 . . 3.730 3.498 2.571 3.629 . 0 0 "[ . 1 . 2]" 1
415 1 19 GLU H 1 19 GLU HG2 . . 4.040 2.976 2.249 3.610 . 0 0 "[ . 1 . 2]" 1
416 1 19 GLU H 1 19 GLU QG . . 3.800 2.353 2.102 2.757 . 0 0 "[ . 1 . 2]" 1
417 1 19 GLU H 1 19 GLU HG3 . . 4.040 2.901 2.126 3.922 . 0 0 "[ . 1 . 2]" 1
418 1 19 GLU H 1 20 ASN H . . 3.330 2.518 2.417 2.673 . 0 0 "[ . 1 . 2]" 1
419 1 19 GLU H 1 21 SER H . . 5.280 4.371 4.162 4.683 . 0 0 "[ . 1 . 2]" 1
420 1 19 GLU H 1 29 ILE MG . . 6.530 6.050 5.338 6.596 0.066 16 0 "[ . 1 . 2]" 1
421 1 19 GLU HA 1 21 SER H . . 4.540 3.585 3.223 3.793 . 0 0 "[ . 1 . 2]" 1
422 1 19 GLU QB 1 20 ASN H . . 3.930 3.027 2.630 3.678 . 0 0 "[ . 1 . 2]" 1
423 1 19 GLU QB 1 20 ASN QD . . 6.320 2.948 2.429 4.080 . 0 0 "[ . 1 . 2]" 1
424 1 19 GLU HB2 1 20 ASN H . . 4.110 3.163 2.685 4.105 . 0 0 "[ . 1 . 2]" 1
425 1 19 GLU HB2 1 20 ASN HD21 . . 7.250 3.226 2.616 4.957 . 0 0 "[ . 1 . 2]" 1
426 1 19 GLU HB2 1 20 ASN HD22 . . 7.250 3.783 3.031 5.202 . 0 0 "[ . 1 . 2]" 1
427 1 19 GLU HB3 1 20 ASN H . . 4.110 3.947 3.720 4.153 0.043 4 0 "[ . 1 . 2]" 1
428 1 19 GLU HB3 1 20 ASN HD21 . . 7.250 4.404 3.909 4.986 . 0 0 "[ . 1 . 2]" 1
429 1 19 GLU HB3 1 20 ASN HD22 . . 7.250 4.655 4.002 5.754 . 0 0 "[ . 1 . 2]" 1
430 1 19 GLU QG 1 20 ASN H . . 6.380 4.048 2.308 4.510 . 0 0 "[ . 1 . 2]" 1
431 1 20 ASN H 1 20 ASN HB2 . . 3.580 2.381 2.309 2.476 . 0 0 "[ . 1 . 2]" 1
432 1 20 ASN H 1 20 ASN QB . . 3.340 2.350 2.283 2.439 . 0 0 "[ . 1 . 2]" 1
433 1 20 ASN H 1 20 ASN HB3 . . 3.580 3.615 3.573 3.672 0.092 19 0 "[ . 1 . 2]" 1
434 1 20 ASN H 1 20 ASN HD21 . . 5.500 2.581 2.309 2.754 . 0 0 "[ . 1 . 2]" 1
435 1 20 ASN H 1 20 ASN QD . . 5.140 2.552 2.293 2.718 . 0 0 "[ . 1 . 2]" 1
436 1 20 ASN H 1 20 ASN HD22 . . 5.500 4.034 3.826 4.175 . 0 0 "[ . 1 . 2]" 1
437 1 20 ASN H 1 21 SER H . . 3.520 2.758 2.568 3.123 . 0 0 "[ . 1 . 2]" 1
438 1 20 ASN H 1 21 SER HA . . 5.310 4.508 4.247 4.689 . 0 0 "[ . 1 . 2]" 1
439 1 20 ASN HA 1 20 ASN HD22 . . 5.500 4.218 3.595 4.349 . 0 0 "[ . 1 . 2]" 1
440 1 20 ASN HA 1 21 SER H . . 3.580 2.921 2.762 3.077 . 0 0 "[ . 1 . 2]" 1
441 1 20 ASN HA 1 22 ASP H . . 4.140 3.263 3.074 3.608 . 0 0 "[ . 1 . 2]" 1
442 1 20 ASN QB 1 21 SER H . . 4.380 3.755 3.616 3.847 . 0 0 "[ . 1 . 2]" 1
443 1 20 ASN HB2 1 21 SER H . . 4.600 4.083 3.906 4.244 . 0 0 "[ . 1 . 2]" 1
444 1 20 ASN HB3 1 21 SER H . . 4.600 4.388 4.268 4.427 . 0 0 "[ . 1 . 2]" 1
445 1 21 SER H 1 21 SER HB2 . . 3.950 3.555 3.516 3.590 . 0 0 "[ . 1 . 2]" 1
446 1 21 SER H 1 21 SER HB3 . . 3.450 2.718 2.601 2.829 . 0 0 "[ . 1 . 2]" 1
447 1 21 SER H 1 22 ASP H . . 3.980 2.609 2.442 2.767 . 0 0 "[ . 1 . 2]" 1
448 1 21 SER HA 1 22 ASP H . . 3.450 3.395 3.316 3.478 0.028 20 0 "[ . 1 . 2]" 1
449 1 21 SER HA 1 29 ILE MD . . 6.530 3.538 2.729 4.459 . 0 0 "[ . 1 . 2]" 1
450 1 21 SER HB2 1 22 ASP H . . 4.480 3.959 3.753 4.102 . 0 0 "[ . 1 . 2]" 1
451 1 21 SER HB2 1 24 ALA H . . 4.230 4.299 4.208 4.403 0.173 20 0 "[ . 1 . 2]" 1
452 1 21 SER HB2 1 29 ILE MD . . 6.120 5.150 3.703 6.156 0.036 4 0 "[ . 1 . 2]" 1
453 1 21 SER HB2 1 29 ILE QG . . 6.380 4.942 3.919 5.936 . 0 0 "[ . 1 . 2]" 1
454 1 21 SER HB3 1 22 ASP H . . 4.170 4.271 4.173 4.319 0.149 15 0 "[ . 1 . 2]" 1
455 1 21 SER HB3 1 24 ALA MB . . 6.310 4.619 3.897 5.380 . 0 0 "[ . 1 . 2]" 1
456 1 22 ASP H 1 22 ASP HB2 . . 3.610 2.504 2.340 2.716 . 0 0 "[ . 1 . 2]" 1
457 1 22 ASP H 1 22 ASP QB . . 3.420 2.315 2.234 2.642 . 0 0 "[ . 1 . 2]" 1
458 1 22 ASP H 1 22 ASP HB3 . . 3.610 2.851 2.508 3.617 0.007 2 0 "[ . 1 . 2]" 1
459 1 22 ASP H 1 23 GLY H . . 4.070 2.734 2.567 2.972 . 0 0 "[ . 1 . 2]" 1
460 1 22 ASP H 1 24 ALA MB . . 6.530 5.094 4.543 5.969 . 0 0 "[ . 1 . 2]" 1
461 1 22 ASP HA 1 23 GLY H . . 3.420 3.476 3.389 3.529 0.109 5 0 "[ . 1 . 2]" 1
462 1 22 ASP HA 1 23 GLY QA . . 5.290 4.276 4.209 4.372 . 0 0 "[ . 1 . 2]" 1
463 1 22 ASP QB 1 24 ALA H . . 6.130 4.588 4.321 4.950 . 0 0 "[ . 1 . 2]" 1
464 1 22 ASP HB2 1 23 GLY H . . 4.480 3.711 2.463 4.089 . 0 0 "[ . 1 . 2]" 1
465 1 22 ASP HB3 1 23 GLY H . . 4.480 3.048 2.474 4.113 . 0 0 "[ . 1 . 2]" 1
466 1 23 GLY H 1 24 ALA H . . 3.080 2.290 2.093 2.622 . 0 0 "[ . 1 . 2]" 1
467 1 23 GLY H 1 24 ALA MB . . 6.530 3.849 3.429 4.433 . 0 0 "[ . 1 . 2]" 1
468 1 24 ALA H 1 25 SER H . . 4.070 3.946 3.458 4.148 0.078 4 0 "[ . 1 . 2]" 1
469 1 24 ALA HA 1 25 SER H . . 3.020 2.148 2.127 2.201 . 0 0 "[ . 1 . 2]" 1
470 1 24 ALA HA 1 28 GLN HB2 . . 5.000 4.348 3.245 5.026 0.026 3 0 "[ . 1 . 2]" 1
471 1 24 ALA MB 1 28 GLN HB2 . . 6.530 4.280 3.263 5.145 . 0 0 "[ . 1 . 2]" 1
472 1 24 ALA MB 1 28 GLN HB3 . . 6.530 3.132 2.220 4.034 . 0 0 "[ . 1 . 2]" 1
473 1 24 ALA MB 1 28 GLN QG . . 7.410 3.531 2.194 4.912 . 0 0 "[ . 1 . 2]" 1
474 1 24 ALA MB 1 29 ILE H . . 6.530 4.026 3.736 4.495 . 0 0 "[ . 1 . 2]" 1
475 1 24 ALA MB 1 29 ILE HA . . 6.530 4.120 3.754 4.681 . 0 0 "[ . 1 . 2]" 1
476 1 24 ALA MB 1 29 ILE MD . . 7.560 2.052 1.756 2.882 . 0 0 "[ . 1 . 2]" 1
477 1 24 ALA MB 1 29 ILE QG . . 7.410 2.961 2.259 3.464 . 0 0 "[ . 1 . 2]" 1
478 1 24 ALA MB 1 29 ILE MG . . 7.560 4.421 4.077 4.697 . 0 0 "[ . 1 . 2]" 1
479 1 24 ALA MB 1 30 ALA H . . 6.530 6.223 5.895 6.532 0.002 4 0 "[ . 1 . 2]" 1
480 1 25 SER H 1 25 SER HB2 . . 3.580 2.599 2.320 3.507 . 0 0 "[ . 1 . 2]" 1
481 1 25 SER H 1 25 SER QB . . 3.300 2.388 2.199 2.734 . 0 0 "[ . 1 . 2]" 1
482 1 25 SER H 1 25 SER HB3 . . 3.580 3.019 2.416 3.586 0.006 10 0 "[ . 1 . 2]" 1
483 1 25 SER H 1 26 LEU H . . 5.250 4.616 4.547 4.641 . 0 0 "[ . 1 . 2]" 1
484 1 25 SER H 1 28 GLN HB2 . . 3.950 3.146 2.410 3.648 . 0 0 "[ . 1 . 2]" 1
485 1 25 SER HA 1 26 LEU H . . 3.020 2.334 2.175 2.578 . 0 0 "[ . 1 . 2]" 1
486 1 25 SER HA 1 26 LEU QB . . 5.950 4.175 4.060 4.464 . 0 0 "[ . 1 . 2]" 1
487 1 25 SER HA 1 28 GLN H . . 5.440 4.515 4.357 4.664 . 0 0 "[ . 1 . 2]" 1
488 1 25 SER QB 1 26 LEU H . . 3.690 2.989 2.107 3.540 . 0 0 "[ . 1 . 2]" 1
489 1 25 SER QB 1 26 LEU QB . . 7.250 4.325 3.589 4.832 . 0 0 "[ . 1 . 2]" 1
490 1 25 SER QB 1 27 GLN QB . . 7.250 3.340 2.837 3.846 . 0 0 "[ . 1 . 2]" 1
491 1 25 SER HB2 1 26 LEU H . . 4.140 3.754 2.542 4.101 . 0 0 "[ . 1 . 2]" 1
492 1 25 SER HB2 1 28 GLN HB2 . . 5.500 3.453 2.301 4.617 . 0 0 "[ . 1 . 2]" 1
493 1 25 SER HB2 1 28 GLN HB3 . . 5.500 4.105 2.808 5.550 0.050 17 0 "[ . 1 . 2]" 1
494 1 25 SER HB3 1 26 LEU H . . 4.140 3.236 2.137 3.936 . 0 0 "[ . 1 . 2]" 1
495 1 25 SER HB3 1 28 GLN HB2 . . 5.500 3.529 1.887 4.905 . 0 0 "[ . 1 . 2]" 1
496 1 25 SER HB3 1 28 GLN HB3 . . 5.500 4.135 2.364 5.611 0.111 9 0 "[ . 1 . 2]" 1
497 1 26 LEU H 1 26 LEU HB2 . . 3.300 2.280 2.039 2.471 . 0 0 "[ . 1 . 2]" 1
498 1 26 LEU H 1 26 LEU QB . . 3.100 2.165 2.019 2.312 . 0 0 "[ . 1 . 2]" 1
499 1 26 LEU H 1 26 LEU HB3 . . 3.300 2.784 2.526 3.519 0.219 16 0 "[ . 1 . 2]" 1
500 1 26 LEU H 1 26 LEU HG . . 4.570 4.233 2.375 4.549 . 0 0 "[ . 1 . 2]" 1
501 1 26 LEU H 1 27 GLN H . . 3.490 2.798 2.645 2.968 . 0 0 "[ . 1 . 2]" 1
502 1 26 LEU HA 1 30 ALA MB . . 6.530 4.997 4.480 5.508 . 0 0 "[ . 1 . 2]" 1
503 1 26 LEU HA 1 40 LEU QB . . 6.380 5.926 5.344 6.417 0.037 2 0 "[ . 1 . 2]" 1
504 1 26 LEU HA 1 40 LEU MD2 . . 6.530 3.511 2.959 3.951 . 0 0 "[ . 1 . 2]" 1
505 1 26 LEU QB 1 27 GLN H . . 3.550 2.477 2.277 2.645 . 0 0 "[ . 1 . 2]" 1
506 1 26 LEU QB 1 27 GLN HA . . 5.260 4.008 3.777 4.178 . 0 0 "[ . 1 . 2]" 1
507 1 26 LEU HB2 1 27 GLN H . . 3.760 3.602 2.726 3.818 0.058 20 0 "[ . 1 . 2]" 1
508 1 26 LEU HB3 1 27 GLN H . . 3.760 2.567 2.310 3.558 . 0 0 "[ . 1 . 2]" 1
509 1 26 LEU MD1 1 27 GLN H . . 6.530 4.461 3.481 4.798 . 0 0 "[ . 1 . 2]" 1
510 1 26 LEU MD1 1 41 LYS H . . 6.530 4.731 3.079 5.858 . 0 0 "[ . 1 . 2]" 1
511 1 26 LEU MD1 1 41 LYS HA . . 6.530 4.294 2.767 5.334 . 0 0 "[ . 1 . 2]" 1
512 1 26 LEU MD1 1 41 LYS HB2 . . 6.530 3.837 2.829 5.084 . 0 0 "[ . 1 . 2]" 1
513 1 26 LEU MD1 1 41 LYS HB3 . . 6.530 5.266 4.355 6.078 . 0 0 "[ . 1 . 2]" 1
514 1 26 LEU MD1 1 41 LYS QG . . 7.380 3.915 2.950 5.165 . 0 0 "[ . 1 . 2]" 1
515 1 26 LEU MD1 1 44 ILE MD . . 7.560 3.470 2.195 4.277 . 0 0 "[ . 1 . 2]" 1
516 1 26 LEU MD2 1 27 GLN H . . 6.530 3.889 3.276 4.678 . 0 0 "[ . 1 . 2]" 1
517 1 26 LEU MD2 1 37 ARG HA . . 6.530 3.770 2.616 4.847 . 0 0 "[ . 1 . 2]" 1
518 1 26 LEU MD2 1 37 ARG QD . . 7.410 3.294 2.089 5.487 . 0 0 "[ . 1 . 2]" 1
519 1 26 LEU MD2 1 41 LYS H . . 6.530 4.246 3.682 4.902 . 0 0 "[ . 1 . 2]" 1
520 1 26 LEU MD2 1 41 LYS HA . . 6.530 4.312 2.767 5.241 . 0 0 "[ . 1 . 2]" 1
521 1 26 LEU MD2 1 41 LYS HB2 . . 6.530 3.658 2.141 4.488 . 0 0 "[ . 1 . 2]" 1
522 1 26 LEU MD2 1 41 LYS HB3 . . 6.530 5.085 3.742 5.813 . 0 0 "[ . 1 . 2]" 1
523 1 26 LEU MD2 1 41 LYS QG . . 7.040 4.157 2.765 5.704 . 0 0 "[ . 1 . 2]" 1
524 1 26 LEU HG 1 27 GLN H . . 5.500 4.594 3.576 5.067 . 0 0 "[ . 1 . 2]" 1
525 1 26 LEU HG 1 40 LEU MD2 . . 6.530 3.230 2.380 4.587 . 0 0 "[ . 1 . 2]" 1
526 1 26 LEU HG 1 44 ILE MD . . 6.530 4.298 3.353 6.553 0.023 3 0 "[ . 1 . 2]" 1
527 1 27 GLN H 1 27 GLN HB2 . . 3.240 2.481 2.234 2.650 . 0 0 "[ . 1 . 2]" 1
528 1 27 GLN H 1 27 GLN QB . . 2.980 2.244 2.146 2.290 . 0 0 "[ . 1 . 2]" 1
529 1 27 GLN H 1 27 GLN HB3 . . 3.240 2.590 2.416 2.773 . 0 0 "[ . 1 . 2]" 1
530 1 27 GLN H 1 27 GLN HG2 . . 4.940 4.576 4.248 4.668 . 0 0 "[ . 1 . 2]" 1
531 1 27 GLN H 1 27 GLN QG . . 4.620 4.025 3.897 4.074 . 0 0 "[ . 1 . 2]" 1
532 1 27 GLN H 1 27 GLN HG3 . . 4.940 4.472 4.393 4.534 . 0 0 "[ . 1 . 2]" 1
533 1 27 GLN H 1 28 GLN H . . 3.300 2.675 2.515 2.796 . 0 0 "[ . 1 . 2]" 1
534 1 27 GLN H 1 37 ARG QD . . 6.380 4.778 3.427 5.679 . 0 0 "[ . 1 . 2]" 1
535 1 27 GLN HA 1 27 GLN HE21 . . 5.500 3.440 2.174 4.392 . 0 0 "[ . 1 . 2]" 1
536 1 27 GLN HA 1 27 GLN QE . . 5.040 3.186 2.161 4.165 . 0 0 "[ . 1 . 2]" 1
537 1 27 GLN HA 1 27 GLN HE22 . . 5.500 3.903 3.172 5.173 . 0 0 "[ . 1 . 2]" 1
538 1 27 GLN HA 1 30 ALA MB . . 5.600 2.986 2.416 3.507 . 0 0 "[ . 1 . 2]" 1
539 1 27 GLN HA 1 31 ASN H . . 4.170 4.040 3.827 4.309 0.139 12 0 "[ . 1 . 2]" 1
540 1 27 GLN HA 1 37 ARG HB2 . . 5.500 4.130 3.583 5.592 0.092 6 0 "[ . 1 . 2]" 1
541 1 27 GLN HA 1 37 ARG QB . . 5.110 3.558 2.891 4.737 . 0 0 "[ . 1 . 2]" 1
542 1 27 GLN HA 1 37 ARG HB3 . . 5.500 4.376 3.037 5.608 0.108 20 0 "[ . 1 . 2]" 1
543 1 27 GLN HA 1 37 ARG QD . . 5.850 3.739 1.957 4.665 . 0 0 "[ . 1 . 2]" 1
544 1 27 GLN HA 1 37 ARG QG . . 6.380 4.160 2.638 5.723 . 0 0 "[ . 1 . 2]" 1
545 1 27 GLN HB2 1 28 GLN H . . 3.950 3.853 3.520 3.991 0.041 10 0 "[ . 1 . 2]" 1
546 1 27 GLN HB3 1 28 GLN H . . 3.950 2.640 2.351 2.890 . 0 0 "[ . 1 . 2]" 1
547 1 27 GLN QE 1 31 ASN H . . 6.370 4.102 2.701 6.027 . 0 0 "[ . 1 . 2]" 1
548 1 27 GLN HE21 1 30 ALA MB . . 6.530 4.029 2.245 5.433 . 0 0 "[ . 1 . 2]" 1
549 1 27 GLN HE22 1 30 ALA MB . . 6.530 4.037 2.192 5.736 . 0 0 "[ . 1 . 2]" 1
550 1 27 GLN QG 1 28 GLN H . . 4.980 3.797 3.218 4.383 . 0 0 "[ . 1 . 2]" 1
551 1 27 GLN QG 1 31 ASN H . . 6.380 4.323 3.917 5.220 . 0 0 "[ . 1 . 2]" 1
552 1 27 GLN QG 1 31 ASN QD . . 5.100 3.100 2.094 3.916 . 0 0 "[ . 1 . 2]" 1
553 1 27 GLN HG2 1 28 GLN H . . 5.500 4.745 4.284 5.129 . 0 0 "[ . 1 . 2]" 1
554 1 27 GLN HG2 1 31 ASN HD21 . . 5.500 4.443 3.575 4.731 . 0 0 "[ . 1 . 2]" 1
555 1 27 GLN HG2 1 31 ASN HD22 . . 5.500 5.197 3.336 5.637 0.137 5 0 "[ . 1 . 2]" 1
556 1 27 GLN HG3 1 28 GLN H . . 5.500 4.028 3.326 5.064 . 0 0 "[ . 1 . 2]" 1
557 1 27 GLN HG3 1 31 ASN HD21 . . 5.500 3.483 2.422 4.840 . 0 0 "[ . 1 . 2]" 1
558 1 27 GLN HG3 1 31 ASN HD22 . . 5.500 4.437 2.157 5.526 0.026 9 0 "[ . 1 . 2]" 1
559 1 28 GLN H 1 28 GLN HB2 . . 3.550 2.415 2.072 2.578 . 0 0 "[ . 1 . 2]" 1
560 1 28 GLN H 1 28 GLN HB3 . . 3.980 2.736 2.474 3.564 . 0 0 "[ . 1 . 2]" 1
561 1 28 GLN H 1 28 GLN HG2 . . 5.500 4.290 2.408 4.624 . 0 0 "[ . 1 . 2]" 1
562 1 28 GLN H 1 28 GLN HG3 . . 5.500 4.407 3.746 4.622 . 0 0 "[ . 1 . 2]" 1
563 1 28 GLN HA 1 31 ASN H . . 4.010 3.417 3.220 3.754 . 0 0 "[ . 1 . 2]" 1
564 1 28 GLN HA 1 31 ASN HB2 . . 3.520 2.817 2.283 3.534 0.014 1 0 "[ . 1 . 2]" 1
565 1 28 GLN HA 1 31 ASN HB3 . . 3.830 2.805 1.956 3.878 0.048 3 0 "[ . 1 . 2]" 1
566 1 28 GLN HA 1 31 ASN HD21 . . 5.500 3.705 2.149 4.897 . 0 0 "[ . 1 . 2]" 1
567 1 28 GLN HA 1 31 ASN QD . . 5.140 3.593 2.131 4.595 . 0 0 "[ . 1 . 2]" 1
568 1 28 GLN HA 1 31 ASN HD22 . . 5.500 5.048 3.509 5.564 0.064 6 0 "[ . 1 . 2]" 1
569 1 28 GLN HA 1 32 ASP H . . 4.760 3.903 3.541 4.639 . 0 0 "[ . 1 . 2]" 1
570 1 28 GLN HB2 1 28 GLN HE22 . . 5.500 4.820 3.862 5.367 . 0 0 "[ . 1 . 2]" 1
571 1 28 GLN HB2 1 29 ILE H . . 3.920 3.678 2.734 3.960 0.040 2 0 "[ . 1 . 2]" 1
572 1 28 GLN HB3 1 29 ILE H . . 3.610 2.739 2.488 3.574 . 0 0 "[ . 1 . 2]" 1
573 1 28 GLN QE 1 32 ASP QB . . 7.240 3.382 1.876 6.291 . 0 0 "[ . 1 . 2]" 1
574 1 28 GLN HG2 1 29 ILE H . . 5.500 4.738 3.786 5.300 . 0 0 "[ . 1 . 2]" 1
575 1 28 GLN HG3 1 29 ILE H . . 5.500 4.466 3.776 5.251 . 0 0 "[ . 1 . 2]" 1
576 1 29 ILE H 1 29 ILE HB . . 3.140 2.598 2.495 2.690 . 0 0 "[ . 1 . 2]" 1
577 1 29 ILE H 1 29 ILE HG12 . . 4.380 2.175 1.933 3.337 . 0 0 "[ . 1 . 2]" 1
578 1 29 ILE H 1 29 ILE QG . . 4.190 2.034 1.924 2.136 . 0 0 "[ . 1 . 2]" 1
579 1 29 ILE H 1 29 ILE HG13 . . 4.380 3.409 1.978 3.620 . 0 0 "[ . 1 . 2]" 1
580 1 29 ILE H 1 30 ALA H . . 3.170 2.799 2.719 2.895 . 0 0 "[ . 1 . 2]" 1
581 1 29 ILE H 1 31 ASN H . . 4.170 3.942 3.772 4.140 . 0 0 "[ . 1 . 2]" 1
582 1 29 ILE H 1 40 LEU MD1 . . 6.530 6.090 5.688 6.555 0.025 12 0 "[ . 1 . 2]" 1
583 1 29 ILE H 1 40 LEU MD2 . . 6.530 4.286 3.881 4.740 . 0 0 "[ . 1 . 2]" 1
584 1 29 ILE HA 1 32 ASP H . . 4.070 3.684 3.412 3.913 . 0 0 "[ . 1 . 2]" 1
585 1 29 ILE HA 1 32 ASP HB2 . . 4.200 3.925 3.441 4.240 0.040 17 0 "[ . 1 . 2]" 1
586 1 29 ILE HA 1 32 ASP QB . . 3.850 3.130 2.680 3.372 . 0 0 "[ . 1 . 2]" 1
587 1 29 ILE HA 1 32 ASP HB3 . . 4.200 3.296 2.795 3.619 . 0 0 "[ . 1 . 2]" 1
588 1 29 ILE HA 1 33 LEU H . . 5.280 4.294 3.861 4.699 . 0 0 "[ . 1 . 2]" 1
589 1 29 ILE HB 1 30 ALA H . . 3.300 2.341 2.234 2.426 . 0 0 "[ . 1 . 2]" 1
590 1 29 ILE HB 1 40 LEU MD2 . . 6.430 2.298 1.784 2.818 . 0 0 "[ . 1 . 2]" 1
591 1 29 ILE MD 1 30 ALA H . . 6.530 4.552 4.270 4.632 . 0 0 "[ . 1 . 2]" 1
592 1 29 ILE MD 1 32 ASP H . . 6.530 5.293 4.994 6.639 0.109 1 0 "[ . 1 . 2]" 1
593 1 29 ILE HG12 1 30 ALA H . . 5.500 4.153 3.904 4.891 . 0 0 "[ . 1 . 2]" 1
594 1 29 ILE HG13 1 30 ALA H . . 5.500 4.649 4.078 4.787 . 0 0 "[ . 1 . 2]" 1
595 1 29 ILE MG 1 30 ALA H . . 6.530 3.268 3.122 3.447 . 0 0 "[ . 1 . 2]" 1
596 1 29 ILE MG 1 32 ASP H . . 6.530 4.833 4.609 5.079 . 0 0 "[ . 1 . 2]" 1
597 1 30 ALA H 1 40 LEU MD2 . . 6.530 2.765 2.272 3.450 . 0 0 "[ . 1 . 2]" 1
598 1 30 ALA HA 1 31 ASN H . . 3.640 3.498 3.457 3.546 . 0 0 "[ . 1 . 2]" 1
599 1 30 ALA HA 1 32 ASP H . . 5.030 4.421 4.166 4.616 . 0 0 "[ . 1 . 2]" 1
600 1 30 ALA HA 1 33 LEU H . . 3.890 3.609 3.358 3.802 . 0 0 "[ . 1 . 2]" 1
601 1 30 ALA HA 1 33 LEU HB2 . . 4.630 3.006 2.509 3.930 . 0 0 "[ . 1 . 2]" 1
602 1 30 ALA HA 1 33 LEU QB . . 4.300 2.866 2.481 3.169 . 0 0 "[ . 1 . 2]" 1
603 1 30 ALA HA 1 33 LEU HB3 . . 4.630 4.239 2.867 4.669 0.039 13 0 "[ . 1 . 2]" 1
604 1 30 ALA HA 1 33 LEU QD . . 8.100 3.403 2.835 3.719 . 0 0 "[ . 1 . 2]" 1
605 1 30 ALA HA 1 35 ILE H . . 3.920 3.433 3.114 3.729 . 0 0 "[ . 1 . 2]" 1
606 1 30 ALA HA 1 35 ILE HB . . 5.500 5.021 4.501 5.496 . 0 0 "[ . 1 . 2]" 1
607 1 30 ALA HA 1 35 ILE MD . . 6.530 3.044 2.582 3.540 . 0 0 "[ . 1 . 2]" 1
608 1 30 ALA HA 1 35 ILE HG12 . . 4.690 2.738 2.272 3.316 . 0 0 "[ . 1 . 2]" 1
609 1 30 ALA HA 1 35 ILE HG13 . . 4.690 2.605 2.094 3.087 . 0 0 "[ . 1 . 2]" 1
610 1 30 ALA HA 1 35 ILE MG . . 6.530 4.692 4.304 5.173 . 0 0 "[ . 1 . 2]" 1
611 1 30 ALA HA 1 40 LEU MD1 . . 6.530 3.639 2.966 4.401 . 0 0 "[ . 1 . 2]" 1
612 1 30 ALA HA 1 40 LEU MD2 . . 6.530 2.885 2.399 3.482 . 0 0 "[ . 1 . 2]" 1
613 1 30 ALA MB 1 31 ASN HA . . 6.530 3.844 3.798 3.883 . 0 0 "[ . 1 . 2]" 1
614 1 30 ALA MB 1 32 ASP H . . 6.530 4.612 4.491 4.752 . 0 0 "[ . 1 . 2]" 1
615 1 30 ALA MB 1 35 ILE H . . 6.530 3.462 3.145 3.724 . 0 0 "[ . 1 . 2]" 1
616 1 30 ALA MB 1 35 ILE MD . . 7.560 3.502 3.135 3.849 . 0 0 "[ . 1 . 2]" 1
617 1 30 ALA MB 1 35 ILE QG . . 7.380 2.462 2.037 2.773 . 0 0 "[ . 1 . 2]" 1
618 1 30 ALA MB 1 36 ASN HA . . 6.530 3.631 3.309 3.989 . 0 0 "[ . 1 . 2]" 1
619 1 30 ALA MB 1 37 ARG H . . 6.530 3.410 3.084 3.765 . 0 0 "[ . 1 . 2]" 1
620 1 30 ALA MB 1 37 ARG HA . . 5.040 2.302 2.055 2.582 . 0 0 "[ . 1 . 2]" 1
621 1 30 ALA MB 1 40 LEU H . . 6.530 4.143 3.641 4.789 . 0 0 "[ . 1 . 2]" 1
622 1 30 ALA MB 1 40 LEU HB2 . . 6.530 2.956 2.371 3.792 . 0 0 "[ . 1 . 2]" 1
623 1 30 ALA MB 1 40 LEU HB3 . . 6.530 3.197 2.706 4.100 . 0 0 "[ . 1 . 2]" 1
624 1 30 ALA MB 1 40 LEU MD1 . . 7.560 3.805 3.194 4.579 . 0 0 "[ . 1 . 2]" 1
625 1 30 ALA MB 1 40 LEU MD2 . . 7.560 2.261 1.818 3.072 . 0 0 "[ . 1 . 2]" 1
626 1 31 ASN H 1 31 ASN HB2 . . 3.080 2.306 2.158 2.505 . 0 0 "[ . 1 . 2]" 1
627 1 31 ASN H 1 31 ASN HB3 . . 3.360 2.878 2.527 3.542 0.182 18 0 "[ . 1 . 2]" 1
628 1 31 ASN H 1 32 ASP H . . 3.550 2.625 2.568 2.694 . 0 0 "[ . 1 . 2]" 1
629 1 31 ASN HA 1 31 ASN HD22 . . 5.500 4.262 3.845 4.718 . 0 0 "[ . 1 . 2]" 1
630 1 31 ASN HA 1 34 GLY H . . 4.260 3.547 3.254 3.737 . 0 0 "[ . 1 . 2]" 1
631 1 31 ASN HA 1 35 ILE H . . 4.410 4.177 3.852 4.446 0.036 9 0 "[ . 1 . 2]" 1
632 1 31 ASN HB2 1 32 ASP H . . 4.070 3.498 2.635 3.969 . 0 0 "[ . 1 . 2]" 1
633 1 31 ASN HB3 1 32 ASP H . . 3.800 2.746 2.438 3.489 . 0 0 "[ . 1 . 2]" 1
634 1 32 ASP H 1 32 ASP HB2 . . 3.890 2.511 2.431 2.594 . 0 0 "[ . 1 . 2]" 1
635 1 32 ASP H 1 32 ASP QB . . 3.620 2.264 2.236 2.298 . 0 0 "[ . 1 . 2]" 1
636 1 32 ASP H 1 32 ASP HB3 . . 3.890 2.580 2.498 2.659 . 0 0 "[ . 1 . 2]" 1
637 1 32 ASP H 1 33 LEU H . . 3.210 2.590 2.460 2.708 . 0 0 "[ . 1 . 2]" 1
638 1 32 ASP QB 1 33 LEU H . . 3.710 2.540 2.332 2.800 . 0 0 "[ . 1 . 2]" 1
639 1 32 ASP HB2 1 33 LEU H . . 4.040 3.820 3.685 3.982 . 0 0 "[ . 1 . 2]" 1
640 1 32 ASP HB3 1 33 LEU H . . 4.040 2.579 2.358 2.861 . 0 0 "[ . 1 . 2]" 1
641 1 33 LEU H 1 33 LEU HB2 . . 3.490 2.280 2.185 2.583 . 0 0 "[ . 1 . 2]" 1
642 1 33 LEU H 1 33 LEU QB . . 3.300 2.228 2.164 2.389 . 0 0 "[ . 1 . 2]" 1
643 1 33 LEU H 1 33 LEU HB3 . . 3.490 3.420 2.513 3.571 0.081 13 0 "[ . 1 . 2]" 1
644 1 33 LEU H 1 33 LEU HG . . 4.320 3.880 2.347 4.460 0.140 5 0 "[ . 1 . 2]" 1
645 1 33 LEU H 1 34 GLY H . . 3.210 2.473 2.294 2.563 . 0 0 "[ . 1 . 2]" 1
646 1 33 LEU H 1 34 GLY QA . . 6.130 4.379 4.238 4.443 . 0 0 "[ . 1 . 2]" 1
647 1 33 LEU HA 1 34 GLY H . . 3.450 3.467 3.383 3.518 0.068 1 0 "[ . 1 . 2]" 1
648 1 33 LEU QB 1 34 GLY H . . 4.600 2.878 2.620 3.147 . 0 0 "[ . 1 . 2]" 1
649 1 33 LEU QB 1 35 ILE H . . 4.860 3.197 2.803 3.558 . 0 0 "[ . 1 . 2]" 1
650 1 33 LEU QB 1 35 ILE QG . . 5.260 2.189 1.966 2.302 . 0 0 "[ . 1 . 2]" 1
651 1 33 LEU QB 1 35 ILE MG . . 7.410 2.817 2.250 3.446 . 0 0 "[ . 1 . 2]" 1
652 1 33 LEU HB2 1 34 GLY H . . 4.850 3.119 2.683 3.988 . 0 0 "[ . 1 . 2]" 1
653 1 33 LEU HB2 1 35 ILE MD . . 6.530 3.177 2.846 4.337 . 0 0 "[ . 1 . 2]" 1
654 1 33 LEU HB2 1 35 ILE HG12 . . 6.720 2.529 2.016 3.943 . 0 0 "[ . 1 . 2]" 1
655 1 33 LEU HB2 1 35 ILE HG13 . . 6.720 3.950 3.550 5.367 . 0 0 "[ . 1 . 2]" 1
656 1 33 LEU HB3 1 34 GLY H . . 4.850 3.577 2.907 3.897 . 0 0 "[ . 1 . 2]" 1
657 1 33 LEU HB3 1 35 ILE MD . . 6.530 3.036 2.611 3.429 . 0 0 "[ . 1 . 2]" 1
658 1 33 LEU HB3 1 35 ILE HG12 . . 6.720 2.652 2.191 3.195 . 0 0 "[ . 1 . 2]" 1
659 1 33 LEU HB3 1 35 ILE HG13 . . 6.720 4.329 3.737 4.921 . 0 0 "[ . 1 . 2]" 1
660 1 33 LEU MD1 1 34 GLY H . . 6.530 4.296 4.108 4.758 . 0 0 "[ . 1 . 2]" 1
661 1 33 LEU MD1 1 35 ILE MD . . 7.560 3.823 2.087 4.316 . 0 0 "[ . 1 . 2]" 1
662 1 33 LEU MD2 1 34 GLY H . . 6.530 4.841 4.248 5.150 . 0 0 "[ . 1 . 2]" 1
663 1 33 LEU MD2 1 35 ILE MD . . 7.560 2.544 1.826 4.331 . 0 0 "[ . 1 . 2]" 1
664 1 33 LEU HG 1 34 GLY H . . 5.500 5.054 4.212 5.522 0.022 15 0 "[ . 1 . 2]" 1
665 1 34 GLY H 1 35 ILE H . . 3.240 2.342 2.047 2.637 . 0 0 "[ . 1 . 2]" 1
666 1 34 GLY H 1 35 ILE MD . . 6.530 4.923 4.702 5.257 . 0 0 "[ . 1 . 2]" 1
667 1 34 GLY H 1 35 ILE QG . . 6.190 3.446 3.235 3.733 . 0 0 "[ . 1 . 2]" 1
668 1 34 GLY H 1 35 ILE MG . . 6.530 4.151 4.000 4.319 . 0 0 "[ . 1 . 2]" 1
669 1 35 ILE H 1 35 ILE HB . . 3.730 3.781 3.717 3.814 0.084 10 0 "[ . 1 . 2]" 1
670 1 35 ILE H 1 35 ILE HG12 . . 4.040 2.212 2.061 2.351 . 0 0 "[ . 1 . 2]" 1
671 1 35 ILE H 1 35 ILE QG . . 3.850 2.142 2.018 2.241 . 0 0 "[ . 1 . 2]" 1
672 1 35 ILE H 1 35 ILE HG13 . . 4.040 2.870 2.821 2.919 . 0 0 "[ . 1 . 2]" 1
673 1 35 ILE H 1 36 ASN H . . 4.820 4.444 4.383 4.505 . 0 0 "[ . 1 . 2]" 1
674 1 35 ILE HA 1 36 ASN H . . 3.080 2.457 2.289 2.528 . 0 0 "[ . 1 . 2]" 1
675 1 35 ILE HA 1 36 ASN HB2 . . 5.440 4.511 4.317 4.637 . 0 0 "[ . 1 . 2]" 1
676 1 35 ILE HA 1 36 ASN HB3 . . 5.440 5.006 4.739 5.606 0.166 10 0 "[ . 1 . 2]" 1
677 1 35 ILE HB 1 36 ASN H . . 3.140 2.277 2.089 2.602 . 0 0 "[ . 1 . 2]" 1
678 1 35 ILE HB 1 39 THR HB . . 4.850 2.942 2.102 3.975 . 0 0 "[ . 1 . 2]" 1
679 1 35 ILE HB 1 39 THR MG . . 6.530 3.446 2.550 4.560 . 0 0 "[ . 1 . 2]" 1
680 1 35 ILE MD 1 36 ASN H . . 6.530 4.146 3.956 4.502 . 0 0 "[ . 1 . 2]" 1
681 1 35 ILE MD 1 39 THR HB . . 6.530 3.342 2.312 4.472 . 0 0 "[ . 1 . 2]" 1
682 1 35 ILE MD 1 40 LEU H . . 6.530 3.315 2.850 4.081 . 0 0 "[ . 1 . 2]" 1
683 1 35 ILE MD 1 40 LEU HA . . 6.370 2.724 2.304 3.448 . 0 0 "[ . 1 . 2]" 1
684 1 35 ILE MD 1 40 LEU HB2 . . 6.530 2.307 2.039 2.541 . 0 0 "[ . 1 . 2]" 1
685 1 35 ILE MD 1 40 LEU HB3 . . 6.530 3.747 3.498 3.989 . 0 0 "[ . 1 . 2]" 1
686 1 35 ILE MD 1 40 LEU MD1 . . 7.560 2.046 1.785 2.591 . 0 0 "[ . 1 . 2]" 1
687 1 35 ILE MD 1 40 LEU MD2 . . 7.560 3.262 2.429 3.818 . 0 0 "[ . 1 . 2]" 1
688 1 35 ILE MD 1 43 TRP HH2 . . 6.530 3.335 2.646 4.299 . 0 0 "[ . 1 . 2]" 1
689 1 35 ILE MD 1 43 TRP HZ2 . . 6.530 4.670 3.854 5.668 . 0 0 "[ . 1 . 2]" 1
690 1 35 ILE MD 1 43 TRP HZ3 . . 6.160 2.558 2.058 3.143 . 0 0 "[ . 1 . 2]" 1
691 1 35 ILE HG12 1 36 ASN H . . 5.500 4.660 4.518 4.878 . 0 0 "[ . 1 . 2]" 1
692 1 35 ILE HG13 1 36 ASN H . . 5.500 3.668 3.437 3.994 . 0 0 "[ . 1 . 2]" 1
693 1 35 ILE MG 1 36 ASN H . . 6.500 3.542 3.379 3.629 . 0 0 "[ . 1 . 2]" 1
694 1 35 ILE MG 1 39 THR HB . . 6.530 4.232 3.525 5.087 . 0 0 "[ . 1 . 2]" 1
695 1 35 ILE MG 1 39 THR MG . . 7.560 3.684 2.676 4.847 . 0 0 "[ . 1 . 2]" 1
696 1 35 ILE MG 1 40 LEU H . . 6.530 5.357 5.000 5.877 . 0 0 "[ . 1 . 2]" 1
697 1 35 ILE MG 1 43 TRP HH2 . . 6.530 2.992 1.985 4.087 . 0 0 "[ . 1 . 2]" 1
698 1 35 ILE MG 1 43 TRP HZ3 . . 6.530 3.542 2.454 4.397 . 0 0 "[ . 1 . 2]" 1
699 1 36 ASN H 1 36 ASN HB2 . . 3.330 2.480 2.090 2.749 . 0 0 "[ . 1 . 2]" 1
700 1 36 ASN H 1 36 ASN QB . . 3.120 2.219 2.070 2.279 . 0 0 "[ . 1 . 2]" 1
701 1 36 ASN H 1 36 ASN HB3 . . 3.330 2.574 2.316 3.357 0.027 10 0 "[ . 1 . 2]" 1
702 1 36 ASN H 1 36 ASN HD21 . . 5.500 4.478 4.319 4.969 . 0 0 "[ . 1 . 2]" 1
703 1 36 ASN H 1 36 ASN HD22 . . 5.500 5.659 5.475 5.726 0.226 3 0 "[ . 1 . 2]" 1
704 1 36 ASN H 1 37 ARG H . . 4.720 4.587 4.555 4.616 . 0 0 "[ . 1 . 2]" 1
705 1 36 ASN H 1 39 THR H . . 5.100 4.305 3.749 4.722 . 0 0 "[ . 1 . 2]" 1
706 1 36 ASN H 1 39 THR HB . . 3.670 3.051 2.676 3.678 0.008 10 0 "[ . 1 . 2]" 1
707 1 36 ASN H 1 39 THR MG . . 6.530 3.922 3.453 4.565 . 0 0 "[ . 1 . 2]" 1
708 1 36 ASN HA 1 37 ARG H . . 2.800 2.242 2.189 2.326 . 0 0 "[ . 1 . 2]" 1
709 1 36 ASN HA 1 38 VAL H . . 4.040 4.065 3.999 4.137 0.097 11 0 "[ . 1 . 2]" 1
710 1 36 ASN QB 1 37 ARG H . . 3.750 3.488 2.956 3.599 . 0 0 "[ . 1 . 2]" 1
711 1 36 ASN QB 1 38 VAL H . . 4.380 3.363 2.617 3.775 . 0 0 "[ . 1 . 2]" 1
712 1 36 ASN QB 1 39 THR H . . 3.730 2.350 2.208 2.754 . 0 0 "[ . 1 . 2]" 1
713 1 36 ASN HB2 1 37 ARG H . . 4.070 4.076 4.004 4.181 0.111 10 0 "[ . 1 . 2]" 1
714 1 36 ASN HB2 1 38 VAL H . . 4.600 4.522 4.306 4.666 0.066 14 0 "[ . 1 . 2]" 1
715 1 36 ASN HB2 1 39 THR H . . 3.950 3.991 3.695 4.069 0.119 16 0 "[ . 1 . 2]" 1
716 1 36 ASN HB2 1 39 THR HB . . 5.500 4.158 3.745 4.565 . 0 0 "[ . 1 . 2]" 1
717 1 36 ASN HB3 1 37 ARG H . . 4.070 3.811 3.022 4.061 . 0 0 "[ . 1 . 2]" 1
718 1 36 ASN HB3 1 38 VAL H . . 4.600 3.480 2.640 4.007 . 0 0 "[ . 1 . 2]" 1
719 1 36 ASN HB3 1 39 THR H . . 3.950 2.370 2.219 2.842 . 0 0 "[ . 1 . 2]" 1
720 1 36 ASN HB3 1 39 THR HB . . 5.500 2.826 2.286 4.254 . 0 0 "[ . 1 . 2]" 1
721 1 36 ASN QD 1 37 ARG QB . . 6.180 4.868 4.196 5.470 . 0 0 "[ . 1 . 2]" 1
722 1 36 ASN QD 1 38 VAL HB . . 6.370 3.559 1.735 4.792 . 0 0 "[ . 1 . 2]" 1
723 1 36 ASN HD21 1 37 ARG H . . 5.500 4.208 2.838 4.995 . 0 0 "[ . 1 . 2]" 1
724 1 36 ASN HD21 1 37 ARG HB2 . . 7.230 6.811 5.521 7.312 0.082 9 0 "[ . 1 . 2]" 1
725 1 36 ASN HD21 1 37 ARG HB3 . . 7.230 6.360 5.081 7.297 0.067 16 0 "[ . 1 . 2]" 1
726 1 36 ASN HD22 1 37 ARG H . . 5.500 4.087 3.627 4.653 . 0 0 "[ . 1 . 2]" 1
727 1 36 ASN HD22 1 37 ARG HB2 . . 7.230 6.307 4.604 7.312 0.082 10 0 "[ . 1 . 2]" 1
728 1 36 ASN HD22 1 37 ARG HB3 . . 7.230 5.789 4.674 6.729 . 0 0 "[ . 1 . 2]" 1
729 1 37 ARG H 1 37 ARG HB2 . . 3.390 2.980 2.396 3.559 0.169 1 0 "[ . 1 . 2]" 1
730 1 37 ARG H 1 37 ARG HB3 . . 3.390 2.642 2.366 3.556 0.166 6 0 "[ . 1 . 2]" 1
731 1 37 ARG H 1 37 ARG HG2 . . 5.500 3.208 1.794 4.510 . 0 0 "[ . 1 . 2]" 1
732 1 37 ARG H 1 37 ARG HG3 . . 5.500 3.726 2.251 4.513 . 0 0 "[ . 1 . 2]" 1
733 1 37 ARG H 1 38 VAL H . . 3.390 2.611 2.506 2.703 . 0 0 "[ . 1 . 2]" 1
734 1 37 ARG HA 1 40 LEU H . . 4.010 3.500 3.235 3.772 . 0 0 "[ . 1 . 2]" 1
735 1 37 ARG HA 1 40 LEU HB2 . . 4.320 3.450 3.039 3.839 . 0 0 "[ . 1 . 2]" 1
736 1 37 ARG HA 1 40 LEU QB . . 4.020 2.634 2.190 2.932 . 0 0 "[ . 1 . 2]" 1
737 1 37 ARG HA 1 40 LEU HB3 . . 4.320 2.735 2.241 3.074 . 0 0 "[ . 1 . 2]" 1
738 1 37 ARG HA 1 40 LEU MD2 . . 6.530 3.298 2.767 3.560 . 0 0 "[ . 1 . 2]" 1
739 1 37 ARG HA 1 41 LYS H . . 4.970 4.129 3.841 4.448 . 0 0 "[ . 1 . 2]" 1
740 1 37 ARG QB 1 38 VAL H . . 3.810 3.041 2.574 3.580 . 0 0 "[ . 1 . 2]" 1
741 1 37 ARG HB2 1 38 VAL H . . 3.980 3.769 2.670 4.053 0.073 9 0 "[ . 1 . 2]" 1
742 1 37 ARG HB3 1 38 VAL H . . 3.980 3.412 2.616 4.081 0.101 16 0 "[ . 1 . 2]" 1
743 1 37 ARG HG2 1 38 VAL H . . 5.500 3.480 2.601 5.022 . 0 0 "[ . 1 . 2]" 1
744 1 37 ARG HG3 1 38 VAL H . . 5.500 3.793 2.288 5.031 . 0 0 "[ . 1 . 2]" 1
745 1 38 VAL H 1 38 VAL HB . . 2.990 2.566 2.511 2.641 . 0 0 "[ . 1 . 2]" 1
746 1 38 VAL H 1 39 THR H . . 3.080 2.562 2.472 2.674 . 0 0 "[ . 1 . 2]" 1
747 1 38 VAL H 1 40 LEU H . . 4.760 4.015 3.871 4.165 . 0 0 "[ . 1 . 2]" 1
748 1 38 VAL HA 1 39 THR H . . 3.610 3.546 3.529 3.565 . 0 0 "[ . 1 . 2]" 1
749 1 38 VAL HA 1 41 LYS H . . 3.670 3.333 3.091 3.625 . 0 0 "[ . 1 . 2]" 1
750 1 38 VAL HA 1 41 LYS HB2 . . 3.550 3.065 2.458 3.478 . 0 0 "[ . 1 . 2]" 1
751 1 38 VAL HA 1 41 LYS HB3 . . 3.550 2.823 2.466 3.595 0.045 3 0 "[ . 1 . 2]" 1
752 1 38 VAL HA 1 41 LYS HD2 . . 5.500 4.048 3.197 5.572 0.072 8 0 "[ . 1 . 2]" 1
753 1 38 VAL HA 1 41 LYS HD3 . . 5.500 4.033 3.381 4.802 . 0 0 "[ . 1 . 2]" 1
754 1 38 VAL HA 1 41 LYS QG . . 6.160 4.526 3.807 4.978 . 0 0 "[ . 1 . 2]" 1
755 1 38 VAL HA 1 42 ASN H . . 4.540 4.032 3.741 4.347 . 0 0 "[ . 1 . 2]" 1
756 1 38 VAL HB 1 39 THR H . . 3.550 2.590 2.473 2.745 . 0 0 "[ . 1 . 2]" 1
757 1 38 VAL QG 1 42 ASN QD . . 8.960 2.978 2.022 4.588 . 0 0 "[ . 1 . 2]" 1
758 1 38 VAL MG1 1 39 THR H . . 6.530 3.506 3.417 3.617 . 0 0 "[ . 1 . 2]" 1
759 1 38 VAL MG2 1 39 THR H . . 6.530 3.764 3.674 3.857 . 0 0 "[ . 1 . 2]" 1
760 1 39 THR H 1 39 THR HB . . 3.080 2.664 2.608 2.748 . 0 0 "[ . 1 . 2]" 1
761 1 39 THR H 1 40 LEU H . . 3.020 2.691 2.614 2.753 . 0 0 "[ . 1 . 2]" 1
762 1 39 THR HA 1 42 ASN H . . 4.540 3.497 3.389 3.696 . 0 0 "[ . 1 . 2]" 1
763 1 39 THR HA 1 42 ASN HB2 . . 3.920 2.638 2.447 2.704 . 0 0 "[ . 1 . 2]" 1
764 1 39 THR HA 1 42 ASN HB3 . . 4.200 4.054 2.817 4.240 0.040 3 0 "[ . 1 . 2]" 1
765 1 39 THR HA 1 42 ASN HD21 . . 5.500 3.405 2.176 5.484 . 0 0 "[ . 1 . 2]" 1
766 1 39 THR HA 1 42 ASN QD . . 5.170 3.236 2.153 4.831 . 0 0 "[ . 1 . 2]" 1
767 1 39 THR HA 1 42 ASN HD22 . . 5.500 4.287 3.346 5.497 . 0 0 "[ . 1 . 2]" 1
768 1 39 THR HA 1 43 TRP H . . 4.570 4.440 4.058 4.639 0.069 13 0 "[ . 1 . 2]" 1
769 1 39 THR HB 1 40 LEU H . . 3.110 2.561 2.460 2.682 . 0 0 "[ . 1 . 2]" 1
770 1 39 THR MG 1 40 LEU H . . 6.530 3.636 3.461 3.739 . 0 0 "[ . 1 . 2]" 1
771 1 39 THR MG 1 40 LEU HA . . 6.530 3.851 3.698 3.988 . 0 0 "[ . 1 . 2]" 1
772 1 39 THR MG 1 43 TRP H . . 6.530 4.368 4.024 4.579 . 0 0 "[ . 1 . 2]" 1
773 1 39 THR MG 1 43 TRP HE1 . . 5.100 3.345 2.345 4.711 . 0 0 "[ . 1 . 2]" 1
774 1 39 THR MG 1 43 TRP HH2 . . 6.530 4.128 3.506 4.982 . 0 0 "[ . 1 . 2]" 1
775 1 39 THR MG 1 43 TRP HZ2 . . 6.530 3.264 2.563 4.648 . 0 0 "[ . 1 . 2]" 1
776 1 39 THR MG 1 43 TRP HZ3 . . 6.530 4.867 4.136 5.504 . 0 0 "[ . 1 . 2]" 1
777 1 40 LEU H 1 40 LEU HB2 . . 3.140 2.536 2.493 2.564 . 0 0 "[ . 1 . 2]" 1
778 1 40 LEU H 1 40 LEU HB3 . . 3.140 2.450 2.396 2.511 . 0 0 "[ . 1 . 2]" 1
779 1 40 LEU H 1 40 LEU HG . . 5.500 4.438 4.403 4.467 . 0 0 "[ . 1 . 2]" 1
780 1 40 LEU H 1 41 LYS H . . 3.170 2.730 2.638 2.810 . 0 0 "[ . 1 . 2]" 1
781 1 40 LEU H 1 41 LYS QB . . 5.450 4.398 4.291 4.512 . 0 0 "[ . 1 . 2]" 1
782 1 40 LEU H 1 42 ASN H . . 4.910 4.134 4.005 4.234 . 0 0 "[ . 1 . 2]" 1
783 1 40 LEU HA 1 42 ASN H . . 4.970 4.448 4.309 4.582 . 0 0 "[ . 1 . 2]" 1
784 1 40 LEU HA 1 43 TRP H . . 4.040 3.596 3.410 3.798 . 0 0 "[ . 1 . 2]" 1
785 1 40 LEU HA 1 43 TRP HE3 . . 5.500 3.332 2.831 3.875 . 0 0 "[ . 1 . 2]" 1
786 1 40 LEU HA 1 44 ILE H . . 4.940 4.443 4.269 4.824 . 0 0 "[ . 1 . 2]" 1
787 1 40 LEU QB 1 41 LYS H . . 3.810 2.376 2.236 2.451 . 0 0 "[ . 1 . 2]" 1
788 1 40 LEU HB2 1 41 LYS H . . 3.980 3.778 3.695 3.829 . 0 0 "[ . 1 . 2]" 1
789 1 40 LEU HB3 1 41 LYS H . . 3.980 2.401 2.255 2.482 . 0 0 "[ . 1 . 2]" 1
790 1 40 LEU MD1 1 41 LYS H . . 6.530 4.406 4.308 4.507 . 0 0 "[ . 1 . 2]" 1
791 1 40 LEU MD1 1 43 TRP H . . 6.530 4.645 4.421 4.931 . 0 0 "[ . 1 . 2]" 1
792 1 40 LEU MD1 1 43 TRP HB2 . . 6.530 3.332 2.966 3.645 . 0 0 "[ . 1 . 2]" 1
793 1 40 LEU MD1 1 43 TRP HB3 . . 6.530 4.487 4.024 4.878 . 0 0 "[ . 1 . 2]" 1
794 1 40 LEU MD1 1 43 TRP HE3 . . 6.250 2.828 2.153 3.262 . 0 0 "[ . 1 . 2]" 1
795 1 40 LEU MD1 1 43 TRP HZ3 . . 6.530 3.757 2.847 4.295 . 0 0 "[ . 1 . 2]" 1
796 1 40 LEU MD1 1 44 ILE H . . 6.530 4.330 4.056 4.550 . 0 0 "[ . 1 . 2]" 1
797 1 40 LEU MD1 1 44 ILE MD . . 7.560 2.952 2.565 3.419 . 0 0 "[ . 1 . 2]" 1
798 1 40 LEU MD1 1 44 ILE QG . . 7.410 3.158 2.822 4.256 . 0 0 "[ . 1 . 2]" 1
799 1 40 LEU MD2 1 41 LYS H . . 6.530 3.973 3.787 4.179 . 0 0 "[ . 1 . 2]" 1
800 1 40 LEU MD2 1 44 ILE MD . . 7.560 2.900 2.586 3.726 . 0 0 "[ . 1 . 2]" 1
801 1 40 LEU HG 1 41 LYS H . . 5.500 3.532 3.332 3.726 . 0 0 "[ . 1 . 2]" 1
802 1 40 LEU HG 1 44 ILE H . . 5.500 4.498 4.228 4.937 . 0 0 "[ . 1 . 2]" 1
803 1 40 LEU HG 1 44 ILE MD . . 5.410 2.203 1.838 2.778 . 0 0 "[ . 1 . 2]" 1
804 1 41 LYS H 1 41 LYS HB2 . . 3.110 2.314 1.982 2.440 . 0 0 "[ . 1 . 2]" 1
805 1 41 LYS H 1 41 LYS HB3 . . 3.110 2.697 2.518 3.252 0.142 3 0 "[ . 1 . 2]" 1
806 1 41 LYS H 1 41 LYS HD2 . . 5.500 4.705 4.211 4.967 . 0 0 "[ . 1 . 2]" 1
807 1 41 LYS H 1 41 LYS HD3 . . 5.500 4.971 4.538 5.123 . 0 0 "[ . 1 . 2]" 1
808 1 41 LYS H 1 41 LYS HG2 . . 5.500 4.497 4.257 4.585 . 0 0 "[ . 1 . 2]" 1
809 1 41 LYS H 1 41 LYS QG . . 4.890 3.897 3.251 4.019 . 0 0 "[ . 1 . 2]" 1
810 1 41 LYS H 1 41 LYS HG3 . . 5.500 4.284 3.373 4.505 . 0 0 "[ . 1 . 2]" 1
811 1 41 LYS H 1 42 ASN H . . 3.170 2.711 2.625 2.782 . 0 0 "[ . 1 . 2]" 1
812 1 41 LYS H 1 44 ILE MD . . 6.530 3.957 3.641 4.434 . 0 0 "[ . 1 . 2]" 1
813 1 41 LYS HA 1 41 LYS HD2 . . 5.500 4.253 2.227 4.578 . 0 0 "[ . 1 . 2]" 1
814 1 41 LYS HA 1 41 LYS HD3 . . 5.500 4.542 3.343 4.670 . 0 0 "[ . 1 . 2]" 1
815 1 41 LYS HA 1 42 ASN H . . 3.520 3.518 3.485 3.533 0.013 8 0 "[ . 1 . 2]" 1
816 1 41 LYS HA 1 44 ILE H . . 4.450 3.427 3.235 3.699 . 0 0 "[ . 1 . 2]" 1
817 1 41 LYS HA 1 44 ILE HB . . 3.580 2.732 2.358 3.422 . 0 0 "[ . 1 . 2]" 1
818 1 41 LYS HA 1 44 ILE MD . . 5.660 2.101 1.765 2.712 . 0 0 "[ . 1 . 2]" 1
819 1 41 LYS HA 1 44 ILE QG . . 5.600 3.125 2.910 4.228 . 0 0 "[ . 1 . 2]" 1
820 1 41 LYS QB 1 42 ASN H . . 3.360 2.471 2.297 2.698 . 0 0 "[ . 1 . 2]" 1
821 1 41 LYS QB 1 45 ILE MD . . 7.410 3.824 3.337 4.633 . 0 0 "[ . 1 . 2]" 1
822 1 41 LYS HB2 1 42 ASN H . . 3.610 3.660 3.095 3.764 0.154 13 0 "[ . 1 . 2]" 1
823 1 41 LYS HB3 1 42 ASN H . . 3.610 2.521 2.322 2.970 . 0 0 "[ . 1 . 2]" 1
824 1 41 LYS HD2 1 42 ASN H . . 5.500 5.386 4.017 5.571 0.071 2 0 "[ . 1 . 2]" 1
825 1 41 LYS HD3 1 42 ASN H . . 5.500 4.833 3.321 5.589 0.089 8 0 "[ . 1 . 2]" 1
826 1 41 LYS QG 1 44 ILE MD . . 7.410 3.430 2.843 4.134 . 0 0 "[ . 1 . 2]" 1
827 1 41 LYS QG 1 45 ILE MD . . 7.410 2.485 2.006 3.644 . 0 0 "[ . 1 . 2]" 1
828 1 41 LYS HG2 1 42 ASN H . . 5.500 4.086 3.714 4.927 . 0 0 "[ . 1 . 2]" 1
829 1 41 LYS HG3 1 42 ASN H . . 5.500 4.800 3.836 4.997 . 0 0 "[ . 1 . 2]" 1
830 1 42 ASN H 1 42 ASN HB2 . . 2.990 2.328 2.190 2.438 . 0 0 "[ . 1 . 2]" 1
831 1 42 ASN H 1 42 ASN HB3 . . 3.580 3.483 2.659 3.596 0.016 9 0 "[ . 1 . 2]" 1
832 1 42 ASN H 1 43 TRP H . . 3.050 2.828 2.667 2.936 . 0 0 "[ . 1 . 2]" 1
833 1 42 ASN H 1 43 TRP QB . . 5.790 4.794 4.629 4.925 . 0 0 "[ . 1 . 2]" 1
834 1 42 ASN H 1 44 ILE H . . 4.720 4.204 4.051 4.374 . 0 0 "[ . 1 . 2]" 1
835 1 42 ASN H 1 45 ILE MD . . 6.530 4.515 4.084 5.006 . 0 0 "[ . 1 . 2]" 1
836 1 42 ASN HA 1 44 ILE H . . 4.660 4.478 4.275 4.639 . 0 0 "[ . 1 . 2]" 1
837 1 42 ASN HA 1 45 ILE H . . 3.890 3.630 3.259 3.772 . 0 0 "[ . 1 . 2]" 1
838 1 42 ASN HA 1 45 ILE HB . . 3.420 3.155 2.822 3.420 . 0 0 "[ . 1 . 2]" 1
839 1 42 ASN HA 1 45 ILE MD . . 5.600 2.914 1.898 3.348 . 0 0 "[ . 1 . 2]" 1
840 1 42 ASN HA 1 45 ILE HG12 . . 5.500 5.114 3.821 5.527 0.027 1 0 "[ . 1 . 2]" 1
841 1 42 ASN HA 1 45 ILE HG13 . . 5.500 3.679 2.358 4.078 . 0 0 "[ . 1 . 2]" 1
842 1 42 ASN HA 1 45 ILE MG . . 6.530 4.463 4.107 4.754 . 0 0 "[ . 1 . 2]" 1
843 1 42 ASN HA 1 46 LYS H . . 5.100 4.266 4.026 4.925 . 0 0 "[ . 1 . 2]" 1
844 1 42 ASN HB2 1 43 TRP H . . 3.140 2.809 2.606 3.441 0.301 2 0 "[ . 1 . 2]" 1
845 1 42 ASN HB2 1 43 TRP HD1 . . 5.500 4.123 3.323 5.206 . 0 0 "[ . 1 . 2]" 1
846 1 42 ASN HB3 1 43 TRP H . . 3.700 3.281 2.022 3.711 0.011 3 0 "[ . 1 . 2]" 1
847 1 42 ASN HB3 1 43 TRP HD1 . . 5.500 3.727 3.164 4.186 . 0 0 "[ . 1 . 2]" 1
848 1 42 ASN QD 1 43 TRP H . . 6.370 4.843 4.038 5.268 . 0 0 "[ . 1 . 2]" 1
849 1 43 TRP H 1 43 TRP QB . . 3.710 2.402 2.262 2.501 . 0 0 "[ . 1 . 2]" 1
850 1 43 TRP H 1 43 TRP HD1 . . 4.910 3.226 2.787 3.612 . 0 0 "[ . 1 . 2]" 1
851 1 43 TRP H 1 44 ILE H . . 3.210 2.638 2.492 2.780 . 0 0 "[ . 1 . 2]" 1
852 1 43 TRP HA 1 43 TRP HD1 . . 4.480 2.198 1.982 2.377 . 0 0 "[ . 1 . 2]" 1
853 1 43 TRP HA 1 46 LYS H . . 3.950 3.549 3.245 3.762 . 0 0 "[ . 1 . 2]" 1
854 1 43 TRP HA 1 46 LYS HB2 . . 4.320 3.791 2.575 4.348 0.028 13 0 "[ . 1 . 2]" 1
855 1 43 TRP HA 1 46 LYS QB . . 4.060 2.880 2.121 3.600 . 0 0 "[ . 1 . 2]" 1
856 1 43 TRP HA 1 46 LYS HB3 . . 4.320 3.198 2.159 4.369 0.049 9 0 "[ . 1 . 2]" 1
857 1 43 TRP HA 1 46 LYS HD2 . . 5.500 4.654 3.172 5.468 . 0 0 "[ . 1 . 2]" 1
858 1 43 TRP HA 1 46 LYS HD3 . . 5.500 4.392 3.080 5.304 . 0 0 "[ . 1 . 2]" 1
859 1 43 TRP QB 1 44 ILE H . . 3.830 2.549 2.424 2.680 . 0 0 "[ . 1 . 2]" 1
860 1 43 TRP QB 1 47 TYR QE . . 8.510 3.763 2.915 4.866 . 0 0 "[ . 1 . 2]" 1
861 1 43 TRP HB2 1 44 ILE H . . 4.230 2.615 2.478 2.774 . 0 0 "[ . 1 . 2]" 1
862 1 43 TRP HB2 1 47 TYR QD . . 7.640 4.395 3.933 5.591 . 0 0 "[ . 1 . 2]" 1
863 1 43 TRP HB3 1 44 ILE H . . 4.230 3.540 3.391 3.667 . 0 0 "[ . 1 . 2]" 1
864 1 43 TRP HB3 1 47 TYR QD . . 7.640 3.002 2.421 4.370 . 0 0 "[ . 1 . 2]" 1
865 1 44 ILE H 1 44 ILE HB . . 3.020 2.554 2.366 2.611 . 0 0 "[ . 1 . 2]" 1
866 1 44 ILE H 1 44 ILE HG12 . . 4.630 3.367 3.243 3.934 . 0 0 "[ . 1 . 2]" 1
867 1 44 ILE H 1 44 ILE QG . . 3.970 2.062 1.860 3.338 . 0 0 "[ . 1 . 2]" 1
868 1 44 ILE H 1 44 ILE HG13 . . 4.630 2.090 1.871 3.608 . 0 0 "[ . 1 . 2]" 1
869 1 44 ILE H 1 45 ILE H . . 3.140 2.746 2.652 2.837 . 0 0 "[ . 1 . 2]" 1
870 1 44 ILE H 1 46 LYS H . . 4.410 4.179 3.932 4.425 0.015 13 0 "[ . 1 . 2]" 1
871 1 44 ILE HA 1 47 TYR H . . 4.170 3.968 3.504 4.208 0.038 14 0 "[ . 1 . 2]" 1
872 1 44 ILE HA 1 47 TYR QB . . 5.820 3.813 3.211 4.183 . 0 0 "[ . 1 . 2]" 1
873 1 44 ILE HA 1 48 GLY H . . 3.730 3.358 3.079 3.564 . 0 0 "[ . 1 . 2]" 1
874 1 44 ILE HA 1 48 GLY QA . . 4.950 3.911 3.540 4.358 . 0 0 "[ . 1 . 2]" 1
875 1 44 ILE HB 1 45 ILE H . . 3.580 2.571 2.405 2.849 . 0 0 "[ . 1 . 2]" 1
876 1 44 ILE MD 1 45 ILE H . . 6.530 4.463 3.971 4.621 . 0 0 "[ . 1 . 2]" 1
877 1 44 ILE QG 1 45 ILE H . . 5.370 4.000 3.857 4.470 . 0 0 "[ . 1 . 2]" 1
878 1 44 ILE HG12 1 45 ILE H . . 5.500 4.976 4.900 5.070 . 0 0 "[ . 1 . 2]" 1
879 1 44 ILE HG13 1 45 ILE H . . 5.500 4.221 4.035 4.967 . 0 0 "[ . 1 . 2]" 1
880 1 44 ILE MG 1 45 ILE H . . 6.530 3.400 3.057 3.733 . 0 0 "[ . 1 . 2]" 1
881 1 44 ILE MG 1 48 GLY H . . 6.530 4.069 3.507 4.337 . 0 0 "[ . 1 . 2]" 1
882 1 44 ILE MG 1 48 GLY HA2 . . 6.530 4.907 4.162 5.382 . 0 0 "[ . 1 . 2]" 1
883 1 44 ILE MG 1 48 GLY HA3 . . 6.530 3.606 2.918 4.303 . 0 0 "[ . 1 . 2]" 1
884 1 45 ILE H 1 45 ILE HB . . 3.330 2.532 2.476 2.574 . 0 0 "[ . 1 . 2]" 1
885 1 45 ILE H 1 45 ILE HG12 . . 3.920 3.397 3.296 3.497 . 0 0 "[ . 1 . 2]" 1
886 1 45 ILE H 1 45 ILE QG . . 3.660 2.111 2.009 2.248 . 0 0 "[ . 1 . 2]" 1
887 1 45 ILE H 1 45 ILE HG13 . . 3.920 2.132 2.027 2.275 . 0 0 "[ . 1 . 2]" 1
888 1 45 ILE H 1 46 LYS H . . 3.080 2.626 2.429 2.793 . 0 0 "[ . 1 . 2]" 1
889 1 45 ILE H 1 47 TYR H . . 5.100 4.371 4.234 4.495 . 0 0 "[ . 1 . 2]" 1
890 1 45 ILE H 1 48 GLY H . . 4.760 4.633 4.529 4.806 0.046 20 0 "[ . 1 . 2]" 1
891 1 45 ILE HB 1 46 LYS H . . 3.300 2.699 2.413 2.912 . 0 0 "[ . 1 . 2]" 1
892 1 45 ILE MD 1 46 LYS H . . 6.530 4.642 4.413 4.858 . 0 0 "[ . 1 . 2]" 1
893 1 45 ILE HG12 1 46 LYS H . . 5.500 5.001 4.921 5.091 . 0 0 "[ . 1 . 2]" 1
894 1 45 ILE HG13 1 46 LYS H . . 5.500 4.241 4.154 4.405 . 0 0 "[ . 1 . 2]" 1
895 1 45 ILE MG 1 46 LYS H . . 6.530 3.501 3.188 3.696 . 0 0 "[ . 1 . 2]" 1
896 1 45 ILE MG 1 46 LYS HA . . 6.530 3.352 3.103 3.546 . 0 0 "[ . 1 . 2]" 1
897 1 46 LYS H 1 46 LYS HB2 . . 3.390 2.527 2.235 2.682 . 0 0 "[ . 1 . 2]" 1
898 1 46 LYS H 1 46 LYS QB . . 3.130 2.272 2.211 2.334 . 0 0 "[ . 1 . 2]" 1
899 1 46 LYS H 1 46 LYS HB3 . . 3.390 2.690 2.411 3.543 0.153 9 0 "[ . 1 . 2]" 1
900 1 46 LYS H 1 46 LYS HD2 . . 5.500 4.810 4.053 5.082 . 0 0 "[ . 1 . 2]" 1
901 1 46 LYS H 1 46 LYS QD . . 4.800 4.333 3.846 4.490 . 0 0 "[ . 1 . 2]" 1
902 1 46 LYS H 1 46 LYS HD3 . . 5.500 4.955 4.730 5.092 . 0 0 "[ . 1 . 2]" 1
903 1 46 LYS H 1 46 LYS HG2 . . 5.500 4.351 3.491 4.509 . 0 0 "[ . 1 . 2]" 1
904 1 46 LYS H 1 46 LYS HG3 . . 5.500 4.209 2.361 4.600 . 0 0 "[ . 1 . 2]" 1
905 1 46 LYS H 1 47 TYR H . . 3.170 2.605 2.384 2.771 . 0 0 "[ . 1 . 2]" 1
906 1 46 LYS H 1 48 GLY H . . 4.070 3.882 3.643 4.091 0.021 10 0 "[ . 1 . 2]" 1
907 1 46 LYS HA 1 46 LYS HD2 . . 5.500 4.398 4.168 4.638 . 0 0 "[ . 1 . 2]" 1
908 1 46 LYS HA 1 46 LYS HD3 . . 5.500 4.579 3.833 4.716 . 0 0 "[ . 1 . 2]" 1
909 1 46 LYS HA 1 46 LYS QG . . 3.970 2.412 2.298 2.525 . 0 0 "[ . 1 . 2]" 1
910 1 46 LYS QB 1 47 TYR H . . 3.700 2.478 2.355 2.681 . 0 0 "[ . 1 . 2]" 1
911 1 46 LYS HB2 1 47 TYR H . . 3.950 3.634 2.501 3.940 . 0 0 "[ . 1 . 2]" 1
912 1 46 LYS HB2 1 47 TYR QD . . 7.640 4.126 2.607 4.855 . 0 0 "[ . 1 . 2]" 1
913 1 46 LYS HB2 1 47 TYR QE . . 7.630 4.591 3.435 5.278 . 0 0 "[ . 1 . 2]" 1
914 1 46 LYS HB3 1 47 TYR H . . 3.950 2.631 2.382 3.475 . 0 0 "[ . 1 . 2]" 1
915 1 46 LYS HB3 1 47 TYR QD . . 7.640 2.852 2.029 3.688 . 0 0 "[ . 1 . 2]" 1
916 1 46 LYS HB3 1 47 TYR QE . . 7.630 3.540 3.250 4.110 . 0 0 "[ . 1 . 2]" 1
917 1 46 LYS QD 1 47 TYR H . . 5.320 4.403 3.059 4.844 . 0 0 "[ . 1 . 2]" 1
918 1 46 LYS QD 1 47 TYR QD . . 8.520 3.721 3.070 4.293 . 0 0 "[ . 1 . 2]" 1
919 1 46 LYS HD2 1 47 TYR H . . 5.500 5.331 3.905 5.558 0.058 3 0 "[ . 1 . 2]" 1
920 1 46 LYS HD2 1 47 TYR QE . . 7.630 4.140 3.106 4.733 . 0 0 "[ . 1 . 2]" 1
921 1 46 LYS HD3 1 47 TYR H . . 5.500 4.731 3.197 5.525 0.025 9 0 "[ . 1 . 2]" 1
922 1 46 LYS HD3 1 47 TYR QE . . 7.630 3.086 2.135 4.547 . 0 0 "[ . 1 . 2]" 1
923 1 46 LYS HE2 1 47 TYR QE . . 7.630 4.804 3.533 6.134 . 0 0 "[ . 1 . 2]" 1
924 1 46 LYS HE3 1 47 TYR QE . . 7.630 4.722 3.252 6.701 . 0 0 "[ . 1 . 2]" 1
925 1 46 LYS QG 1 47 TYR QD . . 8.520 3.959 2.846 4.823 . 0 0 "[ . 1 . 2]" 1
926 1 46 LYS QG 1 47 TYR QE . . 8.510 4.168 3.245 5.100 . 0 0 "[ . 1 . 2]" 1
927 1 46 LYS HG2 1 47 TYR H . . 5.500 3.974 3.376 5.110 . 0 0 "[ . 1 . 2]" 1
928 1 46 LYS HG3 1 47 TYR H . . 5.500 4.714 4.369 4.949 . 0 0 "[ . 1 . 2]" 1
929 1 47 TYR H 1 47 TYR HB2 . . 3.610 2.421 2.342 2.514 . 0 0 "[ . 1 . 2]" 1
930 1 47 TYR H 1 47 TYR QB . . 3.280 2.387 2.313 2.471 . 0 0 "[ . 1 . 2]" 1
931 1 47 TYR H 1 47 TYR HB3 . . 3.610 3.625 3.597 3.662 0.052 6 0 "[ . 1 . 2]" 1
932 1 47 TYR H 1 48 GLY H . . 2.870 2.347 2.197 2.476 . 0 0 "[ . 1 . 2]" 1
933 1 47 TYR H 1 48 GLY HA2 . . 5.500 5.022 4.898 5.116 . 0 0 "[ . 1 . 2]" 1
934 1 47 TYR H 1 48 GLY QA . . 5.320 4.307 4.178 4.393 . 0 0 "[ . 1 . 2]" 1
935 1 47 TYR H 1 48 GLY HA3 . . 5.500 4.689 4.532 4.863 . 0 0 "[ . 1 . 2]" 1
936 1 47 TYR HA 1 49 SER H . . 4.850 3.953 3.463 4.803 . 0 0 "[ . 1 . 2]" 1
937 1 47 TYR QB 1 48 GLY H . . 4.280 2.852 2.640 3.061 . 0 0 "[ . 1 . 2]" 1
938 1 47 TYR HB2 1 48 GLY H . . 4.480 2.944 2.719 3.187 . 0 0 "[ . 1 . 2]" 1
939 1 47 TYR HB3 1 48 GLY H . . 4.480 3.829 3.576 4.046 . 0 0 "[ . 1 . 2]" 1
940 1 47 TYR QD 1 48 GLY H . . 7.640 4.262 4.074 4.401 . 0 0 "[ . 1 . 2]" 1
941 1 48 GLY H 1 49 SER H . . 3.950 2.976 2.507 3.909 . 0 0 "[ . 1 . 2]" 1
942 1 48 GLY HA2 1 49 SER H . . 3.550 2.951 2.298 3.542 . 0 0 "[ . 1 . 2]" 1
943 1 48 GLY HA3 1 49 SER H . . 3.550 3.347 2.825 3.563 0.013 20 0 "[ . 1 . 2]" 1
944 1 49 SER H 1 49 SER HB2 . . 3.950 2.731 2.472 3.608 . 0 0 "[ . 1 . 2]" 1
945 1 49 SER H 1 49 SER QB . . 3.700 2.488 2.231 2.806 . 0 0 "[ . 1 . 2]" 1
946 1 49 SER H 1 49 SER HB3 . . 3.950 3.165 2.527 3.640 . 0 0 "[ . 1 . 2]" 1
947 1 49 SER H 1 50 ASN H . . 3.610 2.550 2.287 2.900 . 0 0 "[ . 1 . 2]" 1
948 1 49 SER HA 1 50 ASN H . . 3.550 3.488 3.425 3.571 0.021 3 0 "[ . 1 . 2]" 1
949 1 49 SER HA 1 51 HIS H . . 5.500 4.890 3.884 5.677 0.177 9 0 "[ . 1 . 2]" 1
950 1 49 SER QB 1 50 ASN H . . 3.920 2.835 2.134 3.397 . 0 0 "[ . 1 . 2]" 1
951 1 49 SER HB2 1 50 ASN H . . 4.110 3.233 2.158 4.143 0.033 5 0 "[ . 1 . 2]" 1
952 1 49 SER HB3 1 50 ASN H . . 4.110 3.608 2.714 4.120 0.010 10 0 "[ . 1 . 2]" 1
953 1 50 ASN H 1 50 ASN HB2 . . 3.550 3.011 2.398 3.623 0.073 11 0 "[ . 1 . 2]" 1
954 1 50 ASN H 1 50 ASN HB3 . . 3.670 3.442 2.630 3.675 0.005 4 0 "[ . 1 . 2]" 1
955 1 50 ASN HB2 1 51 HIS H . . 4.010 3.756 2.324 4.235 0.225 4 0 "[ . 1 . 2]" 1
956 1 50 ASN HB3 1 51 HIS H . . 3.490 2.632 1.794 3.532 0.042 10 0 "[ . 1 . 2]" 1
957 1 51 HIS H 1 51 HIS HB2 . . 3.950 2.860 2.450 3.319 . 0 0 "[ . 1 . 2]" 1
958 1 51 HIS H 1 51 HIS QB . . 3.650 2.705 2.235 2.980 . 0 0 "[ . 1 . 2]" 1
959 1 51 HIS H 1 51 HIS HB3 . . 3.950 3.554 2.421 3.923 . 0 0 "[ . 1 . 2]" 1
960 1 51 HIS HA 1 52 ASN H . . 3.550 2.730 2.076 3.558 0.008 3 0 "[ . 1 . 2]" 1
961 1 51 HIS QB 1 52 ASN H . . 4.110 3.021 1.798 3.926 . 0 0 "[ . 1 . 2]" 1
962 1 51 HIS HB2 1 52 ASN H . . 4.380 3.890 2.590 4.535 0.155 19 0 "[ . 1 . 2]" 1
963 1 51 HIS HB3 1 52 ASN H . . 4.380 3.306 1.804 4.404 0.024 16 0 "[ . 1 . 2]" 1
964 1 52 ASN H 1 52 ASN HB2 . . 3.420 3.063 2.336 3.723 0.303 3 0 "[ . 1 . 2]" 1
965 1 52 ASN H 1 52 ASN HB3 . . 3.420 3.033 2.428 3.569 0.149 13 0 "[ . 1 . 2]" 1
966 1 52 ASN H 1 53 VAL H . . 3.700 3.475 2.130 3.886 0.186 14 0 "[ . 1 . 2]" 1
967 1 52 ASN HA 1 53 VAL H . . 3.080 2.390 2.059 3.141 0.061 3 0 "[ . 1 . 2]" 1
968 1 52 ASN QB 1 53 VAL H . . 4.420 3.920 3.773 4.046 . 0 0 "[ . 1 . 2]" 1
969 1 52 ASN HB2 1 53 VAL H . . 4.850 4.463 4.174 4.655 . 0 0 "[ . 1 . 2]" 1
970 1 52 ASN HB3 1 53 VAL H . . 4.850 4.365 4.075 4.581 . 0 0 "[ . 1 . 2]" 1
971 1 53 VAL H 1 53 VAL HB . . 3.730 2.921 2.510 3.645 . 0 0 "[ . 1 . 2]" 1
972 1 53 VAL H 1 54 GLN H . . 3.550 2.602 2.286 2.977 . 0 0 "[ . 1 . 2]" 1
973 1 53 VAL HA 1 54 GLN H . . 3.580 3.524 3.397 3.592 0.012 2 0 "[ . 1 . 2]" 1
974 1 53 VAL HB 1 54 GLN H . . 3.700 3.112 1.934 3.841 0.141 5 0 "[ . 1 . 2]" 1
975 1 53 VAL MG1 1 54 GLN H . . 6.530 3.304 1.719 4.172 . 0 0 "[ . 1 . 2]" 1
976 1 53 VAL MG2 1 54 GLN H . . 6.530 3.112 1.761 3.830 . 0 0 "[ . 1 . 2]" 1
977 1 54 GLN H 1 54 GLN HB2 . . 3.890 2.892 2.191 3.782 . 0 0 "[ . 1 . 2]" 1
978 1 54 GLN H 1 54 GLN QB . . 3.470 2.737 2.156 3.405 . 0 0 "[ . 1 . 2]" 1
979 1 54 GLN H 1 54 GLN HB3 . . 3.890 3.650 2.946 4.059 0.169 14 0 "[ . 1 . 2]" 1
980 1 54 GLN H 1 54 GLN HE21 . . 5.500 4.238 2.680 5.298 . 0 0 "[ . 1 . 2]" 1
981 1 54 GLN H 1 54 GLN HE22 . . 5.500 4.890 3.258 5.652 0.152 3 0 "[ . 1 . 2]" 1
982 1 54 GLN H 1 54 GLN HG2 . . 5.500 4.001 2.394 5.299 . 0 0 "[ . 1 . 2]" 1
983 1 54 GLN H 1 54 GLN HG3 . . 5.500 4.099 2.483 4.889 . 0 0 "[ . 1 . 2]" 1
984 1 54 GLN HA 1 55 GLY H . . 3.020 2.417 2.107 3.068 0.048 18 0 "[ . 1 . 2]" 1
985 1 54 GLN QB 1 55 GLY H . . 4.450 3.338 1.836 4.027 . 0 0 "[ . 1 . 2]" 1
986 1 54 GLN HB2 1 55 GLY H . . 4.660 4.110 2.151 4.623 . 0 0 "[ . 1 . 2]" 1
987 1 54 GLN HB3 1 55 GLY H . . 4.660 3.617 1.920 4.432 . 0 0 "[ . 1 . 2]" 1
988 1 55 GLY H 1 56 THR H . . 4.040 3.290 2.214 4.154 0.114 17 0 "[ . 1 . 2]" 1
989 1 55 GLY HA2 1 56 THR H . . 3.360 2.952 2.103 3.478 0.118 18 0 "[ . 1 . 2]" 1
990 1 55 GLY HA3 1 56 THR H . . 3.360 2.805 2.116 3.477 0.117 19 0 "[ . 1 . 2]" 1
991 1 56 THR H 1 56 THR HB . . 3.920 3.768 3.061 4.033 0.113 5 0 "[ . 1 . 2]" 1
992 1 56 THR H 1 57 THR H . . 3.580 3.623 3.500 3.759 0.179 15 0 "[ . 1 . 2]" 1
993 1 56 THR HA 1 56 THR HB . . 2.830 2.704 2.482 2.979 0.149 9 0 "[ . 1 . 2]" 1
994 1 56 THR HA 1 57 THR H . . 2.990 2.151 2.048 2.213 . 0 0 "[ . 1 . 2]" 1
995 1 56 THR HB 1 57 THR H . . 3.920 3.979 3.772 4.223 0.303 19 0 "[ . 1 . 2]" 1
996 1 56 THR MG 1 57 THR H . . 6.530 3.699 2.910 4.120 . 0 0 "[ . 1 . 2]" 1
997 1 57 THR H 1 57 THR HB . . 3.980 3.095 2.537 3.812 . 0 0 "[ . 1 . 2]" 1
998 1 57 THR HA 1 58 PRO HD2 . . 3.640 2.419 1.881 2.872 . 0 0 "[ . 1 . 2]" 1
999 1 57 THR HA 1 58 PRO QD . . 3.470 1.898 1.772 2.142 . 0 0 "[ . 1 . 2]" 1
1000 1 57 THR HA 1 58 PRO HD3 . . 3.640 2.098 1.801 2.581 . 0 0 "[ . 1 . 2]" 1
1001 1 57 THR HB 1 58 PRO QD . . 5.420 3.803 1.986 4.336 . 0 0 "[ . 1 . 2]" 1
1002 1 57 THR MG 1 58 PRO QD . . 7.410 3.072 2.021 4.151 . 0 0 "[ . 1 . 2]" 1
1003 1 58 PRO HA 1 59 SER H . . 3.390 2.553 2.117 3.515 0.125 4 0 "[ . 1 . 2]" 1
1004 1 58 PRO QD 1 59 SER H . . 5.590 4.207 2.461 4.988 . 0 0 "[ . 1 . 2]" 1
1005 1 58 PRO QD 1 61 ALA H . . 6.380 5.062 2.753 6.386 0.006 1 0 "[ . 1 . 2]" 1
1006 1 59 SER HA 1 60 ALA H . . 3.580 3.481 3.409 3.567 . 0 0 "[ . 1 . 2]" 1
1007 1 60 ALA HA 1 61 ALA H . . 3.390 3.426 3.400 3.463 0.073 1 0 "[ . 1 . 2]" 1
1008 1 61 ALA H 1 62 VAL H . . 3.670 2.521 2.365 2.658 . 0 0 "[ . 1 . 2]" 1
1009 1 61 ALA HA 1 62 VAL H . . 3.170 3.270 3.161 3.305 0.135 2 0 "[ . 1 . 2]" 1
1010 1 61 ALA HA 1 64 GLU H . . 5.440 3.145 2.866 3.713 . 0 0 "[ . 1 . 2]" 1
1011 1 61 ALA HA 1 64 GLU QB . . 4.860 2.501 1.782 3.415 . 0 0 "[ . 1 . 2]" 1
1012 1 61 ALA HA 1 64 GLU QG . . 6.380 4.215 3.375 5.528 . 0 0 "[ . 1 . 2]" 1
1013 1 62 VAL H 1 62 VAL HB . . 3.210 2.527 2.392 2.567 . 0 0 "[ . 1 . 2]" 1
1014 1 62 VAL H 1 63 SER H . . 3.800 2.502 2.353 2.760 . 0 0 "[ . 1 . 2]" 1
1015 1 62 VAL HA 1 63 SER H . . 3.420 3.504 3.466 3.543 0.123 11 0 "[ . 1 . 2]" 1
1016 1 62 VAL HB 1 63 SER H . . 3.610 2.660 2.264 3.756 0.146 3 0 "[ . 1 . 2]" 1
1017 1 62 VAL MG1 1 63 SER H . . 6.530 3.389 2.130 3.678 . 0 0 "[ . 1 . 2]" 1
1018 1 62 VAL MG2 1 63 SER H . . 6.530 3.791 3.672 3.928 . 0 0 "[ . 1 . 2]" 1
1019 1 63 SER H 1 63 SER HB2 . . 3.640 2.561 2.442 2.699 . 0 0 "[ . 1 . 2]" 1
1020 1 63 SER H 1 63 SER QB . . 3.420 2.507 2.403 2.620 . 0 0 "[ . 1 . 2]" 1
1021 1 63 SER H 1 63 SER HB3 . . 3.640 3.584 3.541 3.622 . 0 0 "[ . 1 . 2]" 1
1022 1 63 SER H 1 64 GLU H . . 4.040 2.487 2.236 2.687 . 0 0 "[ . 1 . 2]" 1
1023 1 63 SER H 1 64 GLU QG . . 6.380 6.159 5.949 6.381 0.001 9 0 "[ . 1 . 2]" 1
1024 1 63 SER HA 1 64 GLU H . . 3.550 3.495 3.402 3.550 . 0 0 "[ . 1 . 2]" 1
1025 1 63 SER HA 1 65 ALA H . . 5.440 4.078 3.637 4.444 . 0 0 "[ . 1 . 2]" 1
1026 1 63 SER QB 1 64 GLU H . . 3.660 2.700 2.536 3.014 . 0 0 "[ . 1 . 2]" 1
1027 1 63 SER QB 1 65 ALA H . . 4.920 4.591 4.456 4.724 . 0 0 "[ . 1 . 2]" 1
1028 1 63 SER QB 1 66 GLU H . . 5.080 4.952 4.654 5.110 0.030 1 0 "[ . 1 . 2]" 1
1029 1 63 SER HB2 1 64 GLU H . . 3.860 2.756 2.576 3.113 . 0 0 "[ . 1 . 2]" 1
1030 1 63 SER HB3 1 64 GLU H . . 3.860 3.876 3.723 4.023 0.163 1 0 "[ . 1 . 2]" 1
1031 1 64 GLU H 1 64 GLU HB2 . . 3.020 2.357 2.051 2.630 . 0 0 "[ . 1 . 2]" 1
1032 1 64 GLU H 1 64 GLU QB . . 2.810 2.187 2.025 2.288 . 0 0 "[ . 1 . 2]" 1
1033 1 64 GLU H 1 64 GLU HB3 . . 3.020 2.720 2.429 3.121 0.101 15 0 "[ . 1 . 2]" 1
1034 1 64 GLU H 1 64 GLU HG2 . . 5.500 4.532 4.400 4.648 . 0 0 "[ . 1 . 2]" 1
1035 1 64 GLU H 1 64 GLU HG3 . . 5.500 4.487 4.362 4.527 . 0 0 "[ . 1 . 2]" 1
1036 1 64 GLU H 1 65 ALA H . . 3.170 2.503 2.384 2.654 . 0 0 "[ . 1 . 2]" 1
1037 1 64 GLU HA 1 65 ALA H . . 3.360 3.449 3.383 3.486 0.126 6 0 "[ . 1 . 2]" 1
1038 1 64 GLU HA 1 67 GLN HE21 . . 5.500 3.414 2.137 5.520 0.020 19 0 "[ . 1 . 2]" 1
1039 1 64 GLU HA 1 67 GLN QE . . 4.910 3.173 1.771 4.408 . 0 0 "[ . 1 . 2]" 1
1040 1 64 GLU HA 1 67 GLN HE22 . . 5.500 3.999 1.890 5.599 0.099 8 0 "[ . 1 . 2]" 1
1041 1 64 GLU HG2 1 65 ALA H . . 5.500 4.849 3.790 5.473 . 0 0 "[ . 1 . 2]" 1
1042 1 64 GLU HG2 1 68 ILE MD . . 6.530 3.249 2.346 4.493 . 0 0 "[ . 1 . 2]" 1
1043 1 64 GLU HG2 1 68 ILE MG . . 6.530 5.597 4.380 6.544 0.014 4 0 "[ . 1 . 2]" 1
1044 1 64 GLU HG3 1 65 ALA H . . 5.500 4.595 4.049 5.008 . 0 0 "[ . 1 . 2]" 1
1045 1 64 GLU HG3 1 68 ILE MD . . 6.530 3.028 1.741 3.867 . 0 0 "[ . 1 . 2]" 1
1046 1 64 GLU HG3 1 68 ILE MG . . 6.530 5.358 4.702 5.923 . 0 0 "[ . 1 . 2]" 1
1047 1 65 ALA H 1 66 GLU H . . 3.270 2.696 2.587 2.842 . 0 0 "[ . 1 . 2]" 1
1048 1 65 ALA H 1 68 ILE HB . . 4.660 4.695 4.631 4.772 0.112 2 0 "[ . 1 . 2]" 1
1049 1 65 ALA HA 1 68 ILE HB . . 3.580 2.120 1.879 2.460 . 0 0 "[ . 1 . 2]" 1
1050 1 65 ALA HA 1 68 ILE MD . . 6.530 3.402 1.927 4.570 . 0 0 "[ . 1 . 2]" 1
1051 1 65 ALA HA 1 68 ILE QG . . 6.380 3.037 2.418 4.114 . 0 0 "[ . 1 . 2]" 1
1052 1 65 ALA HA 1 68 ILE MG . . 6.530 3.455 3.200 3.696 . 0 0 "[ . 1 . 2]" 1
1053 1 66 GLU H 1 66 GLU HB2 . . 3.080 2.391 2.030 2.597 . 0 0 "[ . 1 . 2]" 1
1054 1 66 GLU H 1 66 GLU QB . . 2.880 2.205 2.014 2.259 . 0 0 "[ . 1 . 2]" 1
1055 1 66 GLU H 1 66 GLU HB3 . . 3.080 2.672 2.406 3.368 0.288 11 0 "[ . 1 . 2]" 1
1056 1 66 GLU H 1 67 GLN H . . 3.330 2.710 2.562 2.843 . 0 0 "[ . 1 . 2]" 1
1057 1 66 GLU HA 1 66 GLU HG2 . . 4.230 3.251 2.409 3.796 . 0 0 "[ . 1 . 2]" 1
1058 1 66 GLU HA 1 66 GLU QG . . 3.860 2.625 2.240 2.998 . 0 0 "[ . 1 . 2]" 1
1059 1 66 GLU HA 1 66 GLU HG3 . . 4.230 2.907 2.331 3.633 . 0 0 "[ . 1 . 2]" 1
1060 1 66 GLU HA 1 67 GLN H . . 3.640 3.539 3.492 3.577 . 0 0 "[ . 1 . 2]" 1
1061 1 66 GLU QB 1 67 GLN QE . . 5.950 3.584 2.131 5.555 . 0 0 "[ . 1 . 2]" 1
1062 1 66 GLU HB2 1 67 GLN H . . 3.760 3.636 2.478 3.874 0.114 8 0 "[ . 1 . 2]" 1
1063 1 66 GLU HB2 1 67 GLN HE21 . . 7.130 5.450 3.869 6.682 . 0 0 "[ . 1 . 2]" 1
1064 1 66 GLU HB2 1 67 GLN HE22 . . 7.130 6.155 3.923 7.240 0.110 18 0 "[ . 1 . 2]" 1
1065 1 66 GLU HB3 1 67 GLN H . . 3.760 2.476 2.254 2.840 . 0 0 "[ . 1 . 2]" 1
1066 1 66 GLU HB3 1 67 GLN HE21 . . 7.130 4.091 2.162 6.930 . 0 0 "[ . 1 . 2]" 1
1067 1 66 GLU HB3 1 67 GLN HE22 . . 7.130 4.860 2.516 7.330 0.200 11 0 "[ . 1 . 2]" 1
1068 1 67 GLN H 1 67 GLN QE . . 6.370 3.352 2.443 4.644 . 0 0 "[ . 1 . 2]" 1
1069 1 67 GLN H 1 67 GLN HG2 . . 4.760 2.976 1.833 4.420 . 0 0 "[ . 1 . 2]" 1
1070 1 67 GLN H 1 67 GLN QG . . 4.430 2.456 1.822 3.926 . 0 0 "[ . 1 . 2]" 1
1071 1 67 GLN H 1 67 GLN HG3 . . 4.760 3.202 2.029 4.394 . 0 0 "[ . 1 . 2]" 1
1072 1 67 GLN H 1 68 ILE H . . 3.080 2.454 2.353 2.587 . 0 0 "[ . 1 . 2]" 1
1073 1 67 GLN H 1 68 ILE HB . . 4.660 4.564 4.242 4.677 0.017 5 0 "[ . 1 . 2]" 1
1074 1 67 GLN H 1 68 ILE MD . . 6.530 4.990 3.945 5.361 . 0 0 "[ . 1 . 2]" 1
1075 1 67 GLN HA 1 68 ILE H . . 3.520 3.507 3.457 3.533 0.013 7 0 "[ . 1 . 2]" 1
1076 1 67 GLN QG 1 68 ILE MD . . 7.410 4.762 2.801 6.325 . 0 0 "[ . 1 . 2]" 1
1077 1 67 GLN HG2 1 68 ILE H . . 5.500 3.987 2.168 5.351 . 0 0 "[ . 1 . 2]" 1
1078 1 67 GLN HG3 1 68 ILE H . . 5.500 4.016 2.602 5.210 . 0 0 "[ . 1 . 2]" 1
1079 1 68 ILE H 1 68 ILE HB . . 2.960 2.432 2.153 2.529 . 0 0 "[ . 1 . 2]" 1
1080 1 68 ILE H 1 68 ILE HG12 . . 4.410 2.979 2.164 4.038 . 0 0 "[ . 1 . 2]" 1
1081 1 68 ILE H 1 68 ILE QG . . 3.920 2.358 2.091 3.607 . 0 0 "[ . 1 . 2]" 1
1082 1 68 ILE H 1 68 ILE HG13 . . 4.410 3.063 2.112 4.070 . 0 0 "[ . 1 . 2]" 1
1083 1 68 ILE HA 1 68 ILE HG12 . . 4.230 2.817 2.439 3.586 . 0 0 "[ . 1 . 2]" 1
1084 1 68 ILE HA 1 68 ILE HG13 . . 4.230 3.223 2.373 3.711 . 0 0 "[ . 1 . 2]" 1
1085 1 68 ILE HA 1 69 ARG H . . 3.610 3.540 3.476 3.583 . 0 0 "[ . 1 . 2]" 1
1086 1 68 ILE HA 1 71 LEU H . . 3.890 3.420 3.168 3.789 . 0 0 "[ . 1 . 2]" 1
1087 1 68 ILE HA 1 71 LEU QB . . 4.400 2.723 2.234 3.469 . 0 0 "[ . 1 . 2]" 1
1088 1 68 ILE HA 1 72 LYS H . . 4.010 3.810 2.779 4.087 0.077 3 0 "[ . 1 . 2]" 1
1089 1 68 ILE HB 1 69 ARG H . . 3.210 2.668 2.435 3.026 . 0 0 "[ . 1 . 2]" 1
1090 1 68 ILE MD 1 69 ARG H . . 6.530 4.595 4.251 4.709 . 0 0 "[ . 1 . 2]" 1
1091 1 68 ILE QG 1 69 ARG H . . 6.380 4.154 3.943 4.639 . 0 0 "[ . 1 . 2]" 1
1092 1 68 ILE MG 1 69 ARG H . . 6.530 3.250 2.915 3.417 . 0 0 "[ . 1 . 2]" 1
1093 1 68 ILE MG 1 69 ARG HA . . 6.530 3.267 3.058 3.521 . 0 0 "[ . 1 . 2]" 1
1094 1 68 ILE MG 1 70 GLN H . . 6.530 4.818 4.579 4.968 . 0 0 "[ . 1 . 2]" 1
1095 1 69 ARG H 1 69 ARG HG2 . . 5.500 3.538 1.999 4.522 . 0 0 "[ . 1 . 2]" 1
1096 1 69 ARG H 1 69 ARG QG . . 4.790 3.114 1.978 3.990 . 0 0 "[ . 1 . 2]" 1
1097 1 69 ARG H 1 69 ARG HG3 . . 5.500 3.765 2.138 4.549 . 0 0 "[ . 1 . 2]" 1
1098 1 69 ARG H 1 70 GLN H . . 3.110 2.705 2.492 2.874 . 0 0 "[ . 1 . 2]" 1
1099 1 69 ARG HA 1 69 ARG HG2 . . 4.260 3.209 2.429 4.241 . 0 0 "[ . 1 . 2]" 1
1100 1 69 ARG HA 1 69 ARG HG3 . . 4.260 3.179 2.498 3.857 . 0 0 "[ . 1 . 2]" 1
1101 1 69 ARG HA 1 70 GLN H . . 3.490 3.512 3.479 3.539 0.049 9 0 "[ . 1 . 2]" 1
1102 1 69 ARG QG 1 70 GLN H . . 4.410 3.377 2.066 4.412 0.002 12 0 "[ . 1 . 2]" 1
1103 1 69 ARG HG2 1 70 GLN H . . 5.190 3.773 2.294 4.960 . 0 0 "[ . 1 . 2]" 1
1104 1 69 ARG HG3 1 70 GLN H . . 5.190 4.085 2.133 5.210 0.020 5 0 "[ . 1 . 2]" 1
1105 1 70 GLN H 1 70 GLN HB2 . . 2.930 2.231 2.012 2.467 . 0 0 "[ . 1 . 2]" 1
1106 1 70 GLN H 1 70 GLN HB3 . . 2.930 2.813 2.517 3.417 0.487 12 0 "[ . 1 . 2]" 1
1107 1 70 GLN H 1 70 GLN HG2 . . 4.320 4.096 2.570 4.439 0.119 15 0 "[ . 1 . 2]" 1
1108 1 70 GLN H 1 70 GLN QG . . 4.030 3.741 2.532 3.938 . 0 0 "[ . 1 . 2]" 1
1109 1 70 GLN H 1 70 GLN HG3 . . 4.320 4.373 3.813 4.481 0.161 7 0 "[ . 1 . 2]" 1
1110 1 70 GLN HA 1 70 GLN HB2 . . 2.960 2.653 2.498 2.992 0.032 12 0 "[ . 1 . 2]" 1
1111 1 70 GLN HA 1 70 GLN QB . . 2.700 2.460 2.383 2.538 . 0 0 "[ . 1 . 2]" 1
1112 1 70 GLN HA 1 70 GLN HB3 . . 2.960 2.953 2.557 3.014 0.054 14 0 "[ . 1 . 2]" 1
1113 1 70 GLN HA 1 70 GLN HG2 . . 4.110 2.501 2.184 3.071 . 0 0 "[ . 1 . 2]" 1
1114 1 70 GLN HA 1 70 GLN QG . . 3.870 2.360 2.161 2.839 . 0 0 "[ . 1 . 2]" 1
1115 1 70 GLN HA 1 70 GLN HG3 . . 4.110 3.357 2.474 3.640 . 0 0 "[ . 1 . 2]" 1
1116 1 70 GLN QB 1 71 LEU H . . 3.120 2.444 2.234 2.926 . 0 0 "[ . 1 . 2]" 1
1117 1 70 GLN HB2 1 71 LEU H . . 3.450 3.442 2.726 3.621 0.171 8 0 "[ . 1 . 2]" 1
1118 1 70 GLN HB3 1 71 LEU H . . 3.450 2.555 2.256 3.500 0.050 12 0 "[ . 1 . 2]" 1
1119 1 70 GLN HG2 1 71 LEU H . . 5.500 4.601 3.652 5.152 . 0 0 "[ . 1 . 2]" 1
1120 1 70 GLN HG3 1 71 LEU H . . 5.500 4.925 4.630 5.375 . 0 0 "[ . 1 . 2]" 1
1121 1 71 LEU H 1 71 LEU HB2 . . 3.300 2.356 2.076 2.639 . 0 0 "[ . 1 . 2]" 1
1122 1 71 LEU H 1 71 LEU QB . . 2.970 2.188 2.044 2.267 . 0 0 "[ . 1 . 2]" 1
1123 1 71 LEU H 1 71 LEU HB3 . . 3.300 2.753 2.459 3.464 0.164 14 0 "[ . 1 . 2]" 1
1124 1 71 LEU HA 1 71 LEU HG . . 4.010 3.074 2.411 3.703 . 0 0 "[ . 1 . 2]" 1
1125 1 71 LEU QB 1 72 LYS H . . 3.640 2.605 2.235 2.928 . 0 0 "[ . 1 . 2]" 1
1126 1 71 LEU HB2 1 72 LYS H . . 3.950 3.663 2.945 4.005 0.055 16 0 "[ . 1 . 2]" 1
1127 1 71 LEU HB3 1 72 LYS H . . 3.950 2.743 2.260 3.559 . 0 0 "[ . 1 . 2]" 1
1128 1 72 LYS HA 1 73 LYS H . . 3.490 3.426 3.200 3.551 0.061 11 0 "[ . 1 . 2]" 1
1129 1 74 GLU QB 1 75 ASN H . . 3.860 3.034 1.936 3.840 . 0 0 "[ . 1 . 2]" 1
1130 1 74 GLU HB2 1 75 ASN H . . 4.450 3.678 2.038 4.447 . 0 0 "[ . 1 . 2]" 1
1131 1 74 GLU HB3 1 75 ASN H . . 4.450 3.469 1.956 4.308 . 0 0 "[ . 1 . 2]" 1
1132 1 75 ASN H 1 75 ASN HB2 . . 3.800 3.182 2.214 3.834 0.034 15 0 "[ . 1 . 2]" 1
1133 1 75 ASN H 1 75 ASN QB . . 3.480 2.763 2.186 3.291 . 0 0 "[ . 1 . 2]" 1
1134 1 75 ASN H 1 75 ASN HB3 . . 3.800 3.191 2.558 3.938 0.138 9 0 "[ . 1 . 2]" 1
1135 1 75 ASN H 1 76 ALA H . . 4.630 3.825 1.707 4.650 0.020 20 0 "[ . 1 . 2]" 1
1136 1 75 ASN HA 1 76 ALA H . . 3.420 2.805 2.063 3.468 0.048 13 0 "[ . 1 . 2]" 1
1137 1 75 ASN QB 1 76 ALA H . . 3.630 2.598 1.743 3.285 . 0 0 "[ . 1 . 2]" 1
1138 1 75 ASN HB2 1 76 ALA H . . 3.830 3.221 1.837 4.080 0.250 12 0 "[ . 1 . 2]" 1
1139 1 75 ASN HB3 1 76 ALA H . . 3.830 3.159 1.775 4.020 0.190 16 0 "[ . 1 . 2]" 1
1140 1 76 ALA H 1 76 ALA HA . . 2.740 2.804 2.756 2.874 0.134 16 0 "[ . 1 . 2]" 1
1141 1 76 ALA HA 1 77 LEU H . . 3.420 3.450 3.331 3.536 0.116 8 0 "[ . 1 . 2]" 1
1142 1 77 LEU H 1 77 LEU HB2 . . 3.450 2.645 2.400 3.585 0.135 9 0 "[ . 1 . 2]" 1
1143 1 77 LEU H 1 77 LEU QB . . 3.190 2.439 2.322 2.537 . 0 0 "[ . 1 . 2]" 1
1144 1 77 LEU H 1 77 LEU HB3 . . 3.450 3.402 2.353 3.577 0.127 10 0 "[ . 1 . 2]" 1
1145 1 77 LEU H 1 77 LEU HG . . 3.490 2.274 1.984 3.522 0.032 18 0 "[ . 1 . 2]" 1
1146 1 79 ARG HA 1 80 ALA H . . 3.330 3.395 3.354 3.443 0.113 17 0 "[ . 1 . 2]" 1
1147 1 79 ARG QB 1 80 ALA H . . 3.790 3.037 2.834 3.182 . 0 0 "[ . 1 . 2]" 1
1148 1 79 ARG HB2 1 80 ALA H . . 3.980 3.480 2.950 4.049 0.069 13 0 "[ . 1 . 2]" 1
1149 1 79 ARG HB3 1 80 ALA H . . 3.980 3.648 2.904 4.079 0.099 18 0 "[ . 1 . 2]" 1
1150 1 80 ALA HA 1 81 ARG H . . 3.390 3.432 3.406 3.504 0.114 9 0 "[ . 1 . 2]" 1
1151 1 81 ARG H 1 81 ARG HB2 . . 3.610 2.345 2.140 2.511 . 0 0 "[ . 1 . 2]" 1
1152 1 81 ARG H 1 81 ARG QB . . 3.220 2.310 2.061 2.464 . 0 0 "[ . 1 . 2]" 1
1153 1 81 ARG H 1 81 ARG HB3 . . 3.610 3.515 2.566 3.624 0.014 7 0 "[ . 1 . 2]" 1
1154 1 81 ARG H 1 81 ARG HG2 . . 3.950 3.554 2.389 4.330 0.380 20 0 "[ . 1 . 2]" 1
1155 1 81 ARG H 1 81 ARG QG . . 3.780 2.612 2.116 3.771 . 0 0 "[ . 1 . 2]" 1
1156 1 81 ARG H 1 81 ARG HG3 . . 3.950 2.835 2.138 4.149 0.199 20 0 "[ . 1 . 2]" 1
1157 1 81 ARG H 1 82 THR H . . 3.760 2.477 2.257 2.786 . 0 0 "[ . 1 . 2]" 1
1158 1 81 ARG HA 1 82 THR H . . 3.330 3.401 3.327 3.439 0.109 15 0 "[ . 1 . 2]" 1
1159 1 81 ARG HB2 1 82 THR H . . 3.760 3.131 2.887 3.842 0.082 20 0 "[ . 1 . 2]" 1
1160 1 81 ARG HB3 1 82 THR H . . 3.760 3.803 2.928 3.935 0.175 17 0 "[ . 1 . 2]" 1
1161 1 81 ARG HG2 1 82 THR H . . 5.500 5.009 4.356 5.227 . 0 0 "[ . 1 . 2]" 1
1162 1 81 ARG HG3 1 82 THR H . . 5.500 4.740 4.276 5.536 0.036 3 0 "[ . 1 . 2]" 1
1163 1 82 THR H 1 82 THR HB . . 3.270 2.663 2.586 2.788 . 0 0 "[ . 1 . 2]" 1
1164 1 82 THR H 1 83 ARG H . . 3.360 2.656 2.290 3.315 . 0 0 "[ . 1 . 2]" 1
1165 1 82 THR HA 1 83 ARG H . . 3.360 3.422 3.206 3.527 0.167 3 0 "[ . 1 . 2]" 1
1166 1 82 THR HB 1 83 ARG H . . 3.890 2.766 1.753 3.708 . 0 0 "[ . 1 . 2]" 1
1167 1 82 THR MG 1 83 ARG H . . 6.530 3.635 2.591 4.303 . 0 0 "[ . 1 . 2]" 1
1168 1 83 ARG H 1 83 ARG HB2 . . 3.550 2.669 2.344 3.682 0.132 5 0 "[ . 1 . 2]" 1
1169 1 83 ARG H 1 83 ARG QB . . 3.330 2.489 2.210 2.991 . 0 0 "[ . 1 . 2]" 1
1170 1 83 ARG H 1 83 ARG HB3 . . 3.550 3.324 2.400 3.714 0.164 14 0 "[ . 1 . 2]" 1
1171 1 83 ARG H 1 83 ARG HG2 . . 4.630 4.063 2.909 4.808 0.178 11 0 "[ . 1 . 2]" 1
1172 1 83 ARG H 1 83 ARG QG . . 4.360 3.312 1.984 4.228 . 0 0 "[ . 1 . 2]" 1
1173 1 83 ARG H 1 83 ARG HG3 . . 4.630 3.704 1.997 4.744 0.114 7 0 "[ . 1 . 2]" 1
1174 1 83 ARG H 1 84 HIS H . . 4.970 4.375 3.709 4.607 . 0 0 "[ . 1 . 2]" 1
1175 1 83 ARG HA 1 83 ARG QG . . 3.930 2.515 2.272 3.459 . 0 0 "[ . 1 . 2]" 1
1176 1 83 ARG HA 1 84 HIS H . . 2.900 2.246 2.040 2.721 . 0 0 "[ . 1 . 2]" 1
1177 1 83 ARG QB 1 84 HIS H . . 3.870 3.098 1.876 3.821 . 0 0 "[ . 1 . 2]" 1
1178 1 83 ARG HB2 1 84 HIS H . . 4.170 3.953 2.744 4.347 0.177 11 0 "[ . 1 . 2]" 1
1179 1 83 ARG HB3 1 84 HIS H . . 4.170 3.362 1.889 4.253 0.083 18 0 "[ . 1 . 2]" 1
1180 1 83 ARG HG2 1 84 HIS H . . 5.500 3.718 2.156 5.073 . 0 0 "[ . 1 . 2]" 1
1181 1 83 ARG HG3 1 84 HIS H . . 5.500 4.195 2.708 5.515 0.015 15 0 "[ . 1 . 2]" 1
1182 1 84 HIS H 1 84 HIS HB2 . . 4.040 2.959 2.364 3.984 . 0 0 "[ . 1 . 2]" 1
1183 1 84 HIS H 1 84 HIS QB . . 3.690 2.597 2.334 3.219 . 0 0 "[ . 1 . 2]" 1
1184 1 84 HIS H 1 84 HIS HB3 . . 4.040 3.251 2.547 3.853 . 0 0 "[ . 1 . 2]" 1
1185 1 84 HIS H 1 85 PRO HD2 . . 5.500 4.891 4.290 5.319 . 0 0 "[ . 1 . 2]" 1
1186 1 84 HIS H 1 85 PRO HD3 . . 5.500 4.324 2.803 5.083 . 0 0 "[ . 1 . 2]" 1
1187 1 84 HIS HA 1 85 PRO HD2 . . 3.210 2.477 2.028 3.116 . 0 0 "[ . 1 . 2]" 1
1188 1 84 HIS HA 1 85 PRO HD3 . . 3.210 2.213 1.741 2.478 . 0 0 "[ . 1 . 2]" 1
1189 1 85 PRO HA 1 86 ALA H . . 2.830 2.547 2.404 2.806 . 0 0 "[ . 1 . 2]" 1
1190 1 85 PRO QB 1 86 ALA H . . 4.360 2.267 1.847 2.448 . 0 0 "[ . 1 . 2]" 1
1191 1 85 PRO QB 1 86 ALA HA . . 5.700 4.146 3.686 4.359 . 0 0 "[ . 1 . 2]" 1
1192 1 85 PRO HB2 1 86 ALA H . . 4.600 2.382 1.872 3.010 . 0 0 "[ . 1 . 2]" 1
1193 1 85 PRO HB3 1 86 ALA H . . 4.600 3.168 2.588 3.450 . 0 0 "[ . 1 . 2]" 1
1194 1 85 PRO HD2 1 86 ALA H . . 5.500 5.173 4.455 5.534 0.034 1 0 "[ . 1 . 2]" 1
1195 1 85 PRO HD3 1 86 ALA H . . 5.500 5.540 5.417 5.683 0.183 2 0 "[ . 1 . 2]" 1
1196 1 85 PRO HG2 1 86 ALA H . . 5.500 4.280 3.832 4.941 . 0 0 "[ . 1 . 2]" 1
1197 1 85 PRO HG3 1 86 ALA H . . 5.500 4.803 4.588 4.985 . 0 0 "[ . 1 . 2]" 1
1198 1 86 ALA HA 1 87 GLU H . . 2.870 2.407 2.143 2.970 0.100 2 0 "[ . 1 . 2]" 1
1199 1 87 GLU H 1 87 GLU HB2 . . 4.010 3.040 2.236 3.634 . 0 0 "[ . 1 . 2]" 1
1200 1 87 GLU H 1 87 GLU QB . . 3.550 2.479 2.154 2.695 . 0 0 "[ . 1 . 2]" 1
1201 1 87 GLU H 1 87 GLU HB3 . . 4.010 2.929 2.540 3.619 . 0 0 "[ . 1 . 2]" 1
1202 1 87 GLU HA 1 88 SER H . . 3.550 3.477 3.407 3.575 0.025 15 0 "[ . 1 . 2]" 1
1203 1 87 GLU HB2 1 88 SER H . . 4.690 3.538 2.238 4.081 . 0 0 "[ . 1 . 2]" 1
1204 1 87 GLU HB3 1 88 SER H . . 4.690 3.730 2.537 4.208 . 0 0 "[ . 1 . 2]" 1
1205 1 88 SER H 1 88 SER HB2 . . 3.800 2.760 2.398 3.565 . 0 0 "[ . 1 . 2]" 1
1206 1 88 SER H 1 88 SER QB . . 3.520 2.490 2.220 2.693 . 0 0 "[ . 1 . 2]" 1
1207 1 88 SER H 1 88 SER HB3 . . 3.800 3.159 2.413 3.624 . 0 0 "[ . 1 . 2]" 1
1208 1 88 SER HA 1 89 CYS H . . 3.550 3.487 3.444 3.557 0.007 6 0 "[ . 1 . 2]" 1
1209 1 88 SER QB 1 89 CYS H . . 4.120 2.968 2.392 3.513 . 0 0 "[ . 1 . 2]" 1
1210 1 88 SER QB 1 90 LEU H . . 5.760 4.721 4.506 4.949 . 0 0 "[ . 1 . 2]" 1
1211 1 88 SER HB2 1 89 CYS H . . 4.290 3.336 2.424 4.171 . 0 0 "[ . 1 . 2]" 1
1212 1 88 SER HB3 1 89 CYS H . . 4.290 3.763 2.673 4.214 . 0 0 "[ . 1 . 2]" 1
1213 1 89 CYS H 1 89 CYS HB2 . . 3.860 2.809 2.458 3.623 . 0 0 "[ . 1 . 2]" 1
1214 1 89 CYS H 1 89 CYS QB . . 3.650 2.416 2.237 2.769 . 0 0 "[ . 1 . 2]" 1
1215 1 89 CYS H 1 89 CYS HB3 . . 3.860 2.889 2.487 3.610 . 0 0 "[ . 1 . 2]" 1
1216 1 89 CYS H 1 90 LEU H . . 3.730 2.507 2.253 2.736 . 0 0 "[ . 1 . 2]" 1
1217 1 89 CYS HA 1 90 LEU H . . 3.360 3.449 3.415 3.511 0.151 13 0 "[ . 1 . 2]" 1
1218 1 89 CYS QB 1 90 LEU H . . 4.690 3.066 2.708 3.689 . 0 0 "[ . 1 . 2]" 1
1219 1 89 CYS HB2 1 90 LEU H . . 5.000 3.700 2.848 4.129 . 0 0 "[ . 1 . 2]" 1
1220 1 89 CYS HB3 1 90 LEU H . . 5.000 3.559 2.761 4.256 . 0 0 "[ . 1 . 2]" 1
1221 1 90 LEU H 1 90 LEU HB2 . . 4.170 2.903 2.480 3.645 . 0 0 "[ . 1 . 2]" 1
1222 1 90 LEU H 1 90 LEU QB . . 3.500 2.430 2.225 2.683 . 0 0 "[ . 1 . 2]" 1
1223 1 90 LEU H 1 90 LEU HB3 . . 4.170 2.776 2.443 3.630 . 0 0 "[ . 1 . 2]" 1
1224 1 90 LEU H 1 90 LEU HG . . 5.500 3.265 1.962 4.493 . 0 0 "[ . 1 . 2]" 1
1225 1 90 LEU HA 1 90 LEU HG . . 4.040 3.336 3.109 3.739 . 0 0 "[ . 1 . 2]" 1
1226 1 90 LEU QB 1 91 GLU H . . 4.400 2.918 2.372 3.749 . 0 0 "[ . 1 . 2]" 1
1227 1 90 LEU HG 1 91 GLU H . . 3.830 3.556 2.557 3.973 0.143 18 0 "[ . 1 . 2]" 1
1228 1 92 HIS HA 1 93 HIS H . . 2.960 2.448 2.081 3.034 0.074 1 0 "[ . 1 . 2]" 1
1229 1 96 HIS HA 1 97 HIS H . . 3.390 2.287 2.113 3.452 0.062 8 0 "[ . 1 . 2]" 1
1230 1 97 HIS H 1 97 HIS HA . . 2.930 2.750 2.251 2.947 0.017 20 0 "[ . 1 . 2]" 1
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