NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396054 |
1s6u   |
6129 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s6u
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 1172
_Distance_constraint_stats_list.Viol_count 2670
_Distance_constraint_stats_list.Viol_total 4694.162
_Distance_constraint_stats_list.Viol_max 1.558
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0586
_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 GLU 0.130 0.066 25 0 "[ . 1 . 2 . 3]"
1 3 VAL 2.602 0.123 7 0 "[ . 1 . 2 . 3]"
1 4 VAL 1.580 0.105 13 0 "[ . 1 . 2 . 3]"
1 5 LEU 1.216 0.072 21 0 "[ . 1 . 2 . 3]"
1 6 LYS 1.696 0.099 17 0 "[ . 1 . 2 . 3]"
1 7 MET 2.150 0.103 15 0 "[ . 1 . 2 . 3]"
1 8 LYS 1.454 0.103 15 0 "[ . 1 . 2 . 3]"
1 9 VAL 1.025 0.064 16 0 "[ . 1 . 2 . 3]"
1 10 GLU 1.515 0.124 16 0 "[ . 1 . 2 . 3]"
1 11 GLY 0.815 0.066 20 0 "[ . 1 . 2 . 3]"
1 12 MET 1.803 0.262 23 0 "[ . 1 . 2 . 3]"
1 13 THR 2.449 0.386 25 0 "[ . 1 . 2 . 3]"
1 14 CYS 10.925 1.062 25 7 "[- *** 1 * . 2 * + 3]"
1 15 HIS 36.933 1.558 23 26 "[*** * ***1 ********-**+*******]"
1 16 SER 3.972 0.304 17 0 "[ . 1 . 2 . 3]"
1 17 CYS 35.764 1.558 23 28 "[*********1 -**********+*******]"
1 18 THR 4.433 0.481 19 0 "[ . 1 . 2 . 3]"
1 19 SER 4.787 0.541 13 1 "[ . 1 + . 2 . 3]"
1 20 THR 0.705 0.359 4 0 "[ . 1 . 2 . 3]"
1 21 ILE 0.956 0.048 14 0 "[ . 1 . 2 . 3]"
1 22 GLU 1.768 0.078 26 0 "[ . 1 . 2 . 3]"
1 23 GLY 0.304 0.021 10 0 "[ . 1 . 2 . 3]"
1 24 LYS 1.566 0.049 30 0 "[ . 1 . 2 . 3]"
1 25 ILE 1.247 0.055 3 0 "[ . 1 . 2 . 3]"
1 26 GLY 0.004 0.004 20 0 "[ . 1 . 2 . 3]"
1 27 LYS 0.364 0.064 10 0 "[ . 1 . 2 . 3]"
1 28 LEU 3.418 0.099 3 0 "[ . 1 . 2 . 3]"
1 29 GLN 1.442 0.099 3 0 "[ . 1 . 2 . 3]"
1 30 GLY 5.206 0.695 9 1 "[ . +1 . 2 . 3]"
1 31 VAL 0.448 0.055 30 0 "[ . 1 . 2 . 3]"
1 32 GLN 2.827 0.079 27 0 "[ . 1 . 2 . 3]"
1 33 ARG 2.855 0.109 16 0 "[ . 1 . 2 . 3]"
1 34 ILE 8.479 0.111 28 0 "[ . 1 . 2 . 3]"
1 35 LYS 10.576 0.225 20 0 "[ . 1 . 2 . 3]"
1 36 VAL 0.357 0.053 7 0 "[ . 1 . 2 . 3]"
1 37 SER 2.757 0.079 15 0 "[ . 1 . 2 . 3]"
1 38 LEU 1.839 0.513 20 1 "[ . 1 . + . 3]"
1 39 ASP 0.905 0.047 7 0 "[ . 1 . 2 . 3]"
1 40 ASN 1.701 0.071 28 0 "[ . 1 . 2 . 3]"
1 41 GLN 2.255 0.079 26 0 "[ . 1 . 2 . 3]"
1 42 GLU 1.152 0.072 11 0 "[ . 1 . 2 . 3]"
1 43 ALA 0.011 0.006 26 0 "[ . 1 . 2 . 3]"
1 44 THR 5.445 0.225 20 0 "[ . 1 . 2 . 3]"
1 45 ILE 0.152 0.035 12 0 "[ . 1 . 2 . 3]"
1 46 VAL 1.739 0.096 11 0 "[ . 1 . 2 . 3]"
1 47 TYR 0.465 0.068 11 0 "[ . 1 . 2 . 3]"
1 48 GLN 0.745 0.066 25 0 "[ . 1 . 2 . 3]"
1 49 PRO 0.584 0.076 23 0 "[ . 1 . 2 . 3]"
1 50 HIS 3.949 0.147 8 0 "[ . 1 . 2 . 3]"
1 51 LEU 8.701 0.695 9 1 "[ . +1 . 2 . 3]"
1 52 ILE 4.179 0.106 20 0 "[ . 1 . 2 . 3]"
1 53 SER 0.349 0.054 10 0 "[ . 1 . 2 . 3]"
1 54 VAL 0.783 0.037 13 0 "[ . 1 . 2 . 3]"
1 55 GLU 6.104 0.132 20 0 "[ . 1 . 2 . 3]"
1 56 GLU 5.568 0.174 3 0 "[ . 1 . 2 . 3]"
1 57 MET 5.176 0.123 7 0 "[ . 1 . 2 . 3]"
1 58 LYS 7.649 0.183 10 0 "[ . 1 . 2 . 3]"
1 59 LYS 1.811 0.078 20 0 "[ . 1 . 2 . 3]"
1 60 GLN 8.839 0.174 3 0 "[ . 1 . 2 . 3]"
1 61 ILE 1.995 0.072 15 0 "[ . 1 . 2 . 3]"
1 62 GLU 9.462 0.183 10 0 "[ . 1 . 2 . 3]"
1 63 ALA 1.477 0.072 27 0 "[ . 1 . 2 . 3]"
1 64 MET 2.765 0.086 27 0 "[ . 1 . 2 . 3]"
1 65 GLY 1.462 0.061 10 0 "[ . 1 . 2 . 3]"
1 66 PHE 3.962 0.072 16 0 "[ . 1 . 2 . 3]"
1 67 PRO 0.223 0.030 29 0 "[ . 1 . 2 . 3]"
1 68 ALA 0.364 0.031 25 0 "[ . 1 . 2 . 3]"
1 69 PHE 2.521 0.093 12 0 "[ . 1 . 2 . 3]"
1 70 VAL 0.197 0.040 21 0 "[ . 1 . 2 . 3]"
1 71 LYS 2.561 0.137 21 0 "[ . 1 . 2 . 3]"
1 72 LYS 0.559 0.137 21 0 "[ . 1 . 2 . 3]"
1 73 ILE 0.540 0.063 22 0 "[ . 1 . 2 . 3]"
1 74 GLU 0.600 0.068 11 0 "[ . 1 . 2 . 3]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 GLU HA 1 3 VAL H . . 3.300 2.527 2.262 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 GLU HA 1 48 GLN HA . . 3.900 2.942 2.162 3.966 0.066 25 0 "[ . 1 . 2 . 3]" 1
3 1 3 VAL H 1 3 VAL HB . . 3.600 3.123 2.372 3.723 0.123 7 0 "[ . 1 . 2 . 3]" 1
4 1 3 VAL H 1 3 VAL MG1 . . 4.600 3.214 2.033 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 3 VAL H 1 3 VAL MG2 . . 4.200 2.566 1.996 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 3 VAL H 1 4 VAL H . . 5.400 4.355 4.210 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 3 VAL H 1 46 VAL HA . . 4.700 4.400 4.117 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 3 VAL H 1 46 VAL MG2 . . 7.000 5.816 5.584 5.871 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 3 VAL H 1 47 TYR H . . 3.600 3.055 2.838 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 VAL H 1 47 TYR QD . . 8.000 4.525 3.199 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 3 VAL H 1 48 GLN HA . . 4.700 3.559 3.326 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 VAL H 1 49 PRO QD . . 6.380 2.925 2.432 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 VAL H 1 49 PRO QG . . 5.180 4.501 3.884 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 3 VAL HA 1 3 VAL MG2 . . 3.700 2.746 2.128 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 3 VAL HA 1 4 VAL H . . 2.400 2.182 1.995 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 3 VAL HB 1 4 VAL H . . 4.000 3.655 2.900 4.105 0.105 13 0 "[ . 1 . 2 . 3]" 1
17 1 3 VAL HB 1 49 PRO HD2 . . 6.000 5.210 3.758 6.076 0.076 23 0 "[ . 1 . 2 . 3]" 1
18 1 3 VAL HB 1 49 PRO QD . . 5.690 3.633 2.424 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 VAL HB 1 49 PRO HD3 . . 6.000 3.718 2.451 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 VAL MG1 1 49 PRO HA . . 7.000 5.235 3.031 5.857 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 VAL MG2 1 4 VAL H . . 5.900 3.837 2.524 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 VAL MG2 1 49 PRO HB3 . . 6.500 3.008 2.096 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 VAL MG2 1 49 PRO HD2 . . 6.800 3.579 2.601 5.690 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 VAL MG2 1 49 PRO QD . . 6.260 2.398 2.017 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 VAL MG2 1 49 PRO HD3 . . 6.800 2.468 2.030 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 VAL MG2 1 49 PRO HG2 . . 6.900 3.982 3.186 5.492 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 VAL MG2 1 49 PRO QG . . 6.270 2.661 2.053 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 VAL MG2 1 49 PRO HG3 . . 6.900 2.709 2.072 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 4 VAL H 1 4 VAL HB . . 2.900 2.478 2.189 2.994 0.094 29 0 "[ . 1 . 2 . 3]" 1
30 1 4 VAL H 1 4 VAL MG1 . . 4.400 2.758 1.787 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 VAL H 1 4 VAL MG2 . . 4.300 3.515 2.694 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 4 VAL H 1 5 LEU H . . 5.500 4.425 4.321 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 VAL H 1 73 ILE QG . . 6.880 5.552 3.176 6.159 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 VAL H 1 74 GLU H . . 4.500 4.011 3.240 4.513 0.013 28 0 "[ . 1 . 2 . 3]" 1
35 1 4 VAL HA 1 4 VAL HB . . 2.900 2.676 2.198 2.964 0.064 12 0 "[ . 1 . 2 . 3]" 1
36 1 4 VAL HA 1 4 VAL MG1 . . 3.600 2.992 2.437 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 VAL HA 1 4 VAL MG2 . . 3.500 2.234 2.120 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 VAL HA 1 5 LEU H . . 2.600 2.183 2.124 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 VAL HA 1 46 VAL HA . . 2.800 2.327 2.112 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 VAL HA 1 46 VAL MG2 . . 7.000 2.796 2.357 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 VAL HA 1 47 TYR H . . 4.300 3.743 3.526 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 VAL MG1 1 5 LEU H . . 5.300 3.512 2.772 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 VAL MG1 1 6 LYS H . . 6.500 4.335 3.542 5.459 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 VAL MG1 1 74 GLU H . . 6.200 2.513 2.115 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 VAL MG2 1 45 ILE H . . 5.600 3.947 3.110 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 VAL MG2 1 74 GLU H . . 7.000 4.622 3.586 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 5 LEU H 1 5 LEU HB2 . . 3.700 2.600 2.266 3.747 0.047 12 0 "[ . 1 . 2 . 3]" 1
48 1 5 LEU H 1 5 LEU QB . . 3.350 2.356 2.082 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 5 LEU H 1 5 LEU HB3 . . 3.700 3.171 2.135 3.732 0.032 2 0 "[ . 1 . 2 . 3]" 1
50 1 5 LEU H 1 5 LEU MD1 . . 5.600 4.037 2.774 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 5 LEU H 1 5 LEU QD . . 4.790 3.175 2.436 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 5 LEU H 1 5 LEU MD2 . . 5.600 3.524 2.456 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 5 LEU H 1 44 THR HA . . 4.400 4.421 4.244 4.472 0.072 21 0 "[ . 1 . 2 . 3]" 1
54 1 5 LEU H 1 45 ILE H . . 3.500 2.937 2.682 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 5 LEU H 1 46 VAL HA . . 4.000 3.277 2.744 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 LEU H 1 47 TYR QD . . 8.000 4.089 3.528 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 LEU H 1 47 TYR QE . . 8.000 4.755 4.088 5.793 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 LEU HA 1 6 LYS H . . 2.500 2.228 2.134 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 LEU HA 1 73 ILE HA . . 3.300 3.217 2.864 3.360 0.060 11 0 "[ . 1 . 2 . 3]" 1
60 1 5 LEU HA 1 73 ILE MD . . 6.600 4.706 3.818 5.516 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 LEU HA 1 74 GLU H . . 5.100 3.876 3.193 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 5 LEU QB 1 6 LYS H . . 5.580 3.390 2.521 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 5 LEU QB 1 45 ILE H . . 6.580 3.295 2.794 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 5 LEU QB 1 45 ILE HB . . 4.380 2.644 2.053 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 5 LEU QB 1 47 TYR QE . . 6.330 3.079 2.111 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 5 LEU HB2 1 47 TYR QE . . 7.100 3.296 2.123 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 LEU HB3 1 47 TYR QE . . 7.100 4.142 2.477 5.851 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 5 LEU QD 1 6 LYS H . . 5.040 2.976 2.197 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 5 LEU QD 1 7 MET H . . 8.570 4.752 2.975 5.925 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 5 LEU QD 1 7 MET ME . . 6.720 3.120 1.971 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 5 LEU QD 1 7 MET QG . . 8.220 3.624 1.926 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 5 LEU QD 1 45 ILE H . . 6.370 4.185 2.876 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 5 LEU QD 1 45 ILE HB . . 8.170 3.538 1.975 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 5 LEU QD 1 57 MET HB3 . . 7.970 4.763 2.831 5.929 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 5 LEU QD 1 71 LYS H . . 8.570 4.053 2.858 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 5 LEU QD 1 72 LYS H . . 8.570 3.240 2.380 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 5 LEU MD1 1 6 LYS H . . 6.100 3.427 2.451 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 5 LEU MD1 1 7 MET ME . . 7.000 3.408 2.042 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 5 LEU MD1 1 7 MET HG2 . . 9.940 4.145 2.049 6.186 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 5 LEU MD1 1 7 MET HG3 . . 9.940 5.369 2.151 7.387 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 5 LEU MD2 1 6 LYS H . . 6.100 3.851 2.482 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 5 LEU MD2 1 7 MET ME . . 7.000 4.215 2.212 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 5 LEU MD2 1 7 MET HG2 . . 9.940 5.230 2.089 6.448 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 5 LEU MD2 1 7 MET HG3 . . 9.940 6.336 3.282 7.930 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 6 LYS H 1 6 LYS HB2 . . 3.000 2.586 1.996 3.004 0.004 17 0 "[ . 1 . 2 . 3]" 1
86 1 6 LYS H 1 6 LYS HB3 . . 3.200 2.972 2.596 3.264 0.064 28 0 "[ . 1 . 2 . 3]" 1
87 1 6 LYS H 1 6 LYS HD2 . . 4.800 4.519 3.768 4.806 0.006 30 0 "[ . 1 . 2 . 3]" 1
88 1 6 LYS H 1 6 LYS QD . . 4.620 4.037 3.204 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 6 LYS H 1 6 LYS HD3 . . 4.800 4.574 3.467 4.838 0.038 27 0 "[ . 1 . 2 . 3]" 1
90 1 6 LYS H 1 71 LYS QG . . 6.280 5.631 5.472 5.688 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 6 LYS H 1 72 LYS H . . 5.200 3.416 2.892 5.222 0.022 22 0 "[ . 1 . 2 . 3]" 1
92 1 6 LYS HA 1 6 LYS HD2 . . 3.900 2.801 2.280 3.965 0.065 16 0 "[ . 1 . 2 . 3]" 1
93 1 6 LYS HA 1 6 LYS QD . . 3.550 2.613 2.111 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 6 LYS HA 1 6 LYS HD3 . . 3.900 3.539 2.183 3.926 0.026 21 0 "[ . 1 . 2 . 3]" 1
95 1 6 LYS HA 1 6 LYS QG . . 3.900 2.333 2.230 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 6 LYS HA 1 7 MET H . . 2.400 2.175 2.013 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 6 LYS HA 1 44 THR HA . . 3.200 2.722 2.354 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 6 LYS HA 1 44 THR MG . . 7.000 4.060 3.525 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 6 LYS HA 1 45 ILE H . . 4.100 3.742 3.476 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 6 LYS HB3 1 6 LYS QE . . 5.100 4.263 3.793 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 6 LYS HB3 1 7 MET H . . 4.000 4.004 3.746 4.099 0.099 17 0 "[ . 1 . 2 . 3]" 1
102 1 6 LYS HB3 1 74 GLU H . . 6.000 6.012 5.895 6.068 0.068 11 0 "[ . 1 . 2 . 3]" 1
103 1 6 LYS QD 1 44 THR MG . . 7.880 3.106 2.170 5.675 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 6 LYS QE 1 44 THR MG . . 8.000 3.786 2.464 5.952 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 6 LYS QG 1 7 MET H . . 6.500 3.267 2.973 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 6 LYS QG 1 7 MET HG2 . . 6.900 5.450 4.874 6.062 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 6 LYS QG 1 7 MET QG . . 6.410 4.798 4.472 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 6 LYS QG 1 7 MET HG3 . . 6.900 5.402 4.927 6.155 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 6 LYS QG 1 44 THR MG . . 8.000 4.303 3.614 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 7 MET H 1 7 MET HB2 . . 3.700 3.429 2.768 3.794 0.094 7 0 "[ . 1 . 2 . 3]" 1
111 1 7 MET H 1 7 MET QB . . 3.390 2.992 2.701 3.103 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 7 MET H 1 7 MET HB3 . . 3.700 3.434 3.045 3.761 0.061 21 0 "[ . 1 . 2 . 3]" 1
113 1 7 MET H 1 9 VAL MG1 . . 7.000 4.792 4.419 5.235 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 7 MET H 1 43 ALA H . . 3.600 3.085 2.819 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 7 MET H 1 43 ALA MB . . 6.300 3.438 2.891 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 7 MET H 1 44 THR HA . . 4.100 3.785 3.467 4.114 0.014 20 0 "[ . 1 . 2 . 3]" 1
117 1 7 MET H 1 45 ILE H . . 5.200 4.555 4.027 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 7 MET HA 1 7 MET QB . . 2.710 2.166 2.115 2.222 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 7 MET HA 1 7 MET HG2 . . 4.200 3.412 2.726 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 7 MET HA 1 7 MET QG . . 3.860 3.136 2.613 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 7 MET HA 1 7 MET HG3 . . 4.200 3.701 3.355 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 7 MET HA 1 8 LYS H . . 2.600 2.173 2.040 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 7 MET HA 1 70 VAL HA . . 2.600 2.303 2.078 2.640 0.040 21 0 "[ . 1 . 2 . 3]" 1
124 1 7 MET HA 1 71 LYS H . . 3.200 2.935 2.570 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 7 MET QB 1 8 LYS H . . 3.700 3.178 2.852 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 7 MET QB 1 9 VAL MG1 . . 7.780 3.189 2.395 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 7 MET QB 1 43 ALA H . . 5.980 4.110 3.252 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 7 MET QB 1 43 ALA MB . . 6.110 3.167 2.088 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 7 MET QB 1 68 ALA MB . . 7.880 2.236 2.111 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 7 MET QB 1 69 PHE H . . 5.840 3.209 2.800 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 7 MET QB 1 70 VAL HA . . 6.880 2.288 1.850 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 7 MET QB 1 71 LYS H . . 6.880 4.053 3.377 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 7 MET HB2 1 8 LYS H . . 4.000 3.495 2.917 4.041 0.041 21 0 "[ . 1 . 2 . 3]" 1
134 1 7 MET HB2 1 43 ALA MB . . 6.700 3.310 2.100 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 7 MET HB2 1 69 PHE H . . 6.000 3.554 2.854 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 7 MET HB3 1 8 LYS H . . 4.000 3.848 3.098 4.103 0.103 15 0 "[ . 1 . 2 . 3]" 1
137 1 7 MET HB3 1 43 ALA MB . . 6.700 4.295 3.640 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 7 MET HB3 1 69 PHE H . . 6.000 4.194 3.039 5.429 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 7 MET ME 1 58 LYS H . . 6.400 3.698 3.003 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 7 MET ME 1 61 ILE MD . . 6.600 2.488 2.133 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 7 MET ME 1 70 VAL MG1 . . 6.300 3.249 2.857 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 7 MET QG 1 61 ILE MD . . 7.880 3.969 3.551 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 7 MET QG 1 69 PHE H . . 6.880 5.112 4.393 5.830 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 7 MET QG 1 70 VAL HA . . 4.180 3.408 2.276 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 7 MET QG 1 71 LYS H . . 6.880 4.840 3.509 5.399 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 7 MET HG2 1 8 LYS H . . 6.000 5.179 4.732 5.415 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 7 MET HG3 1 8 LYS H . . 6.000 4.923 4.220 5.491 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 8 LYS H 1 8 LYS HB2 . . 3.700 2.555 2.265 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 8 LYS H 1 8 LYS QB . . 3.390 2.398 2.093 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 8 LYS H 1 8 LYS HB3 . . 3.700 3.354 2.119 3.718 0.018 29 0 "[ . 1 . 2 . 3]" 1
151 1 8 LYS H 1 8 LYS HG2 . . 5.100 4.285 4.002 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 8 LYS H 1 8 LYS QG . . 4.680 3.648 3.251 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 8 LYS H 1 8 LYS HG3 . . 5.100 3.990 3.380 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 8 LYS H 1 9 VAL H . . 4.800 4.597 4.422 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 8 LYS H 1 9 VAL MG2 . . 7.000 5.560 5.313 5.865 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 8 LYS H 1 42 GLU HA . . 5.600 4.933 4.738 5.223 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 8 LYS H 1 43 ALA H . . 6.000 4.836 4.730 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 8 LYS H 1 69 PHE H . . 3.700 2.844 2.477 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 8 LYS H 1 69 PHE HB2 . . 5.700 2.781 2.520 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 8 LYS H 1 70 VAL HA . . 4.500 4.068 3.746 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 8 LYS H 1 71 LYS H . . 4.500 4.286 4.005 4.526 0.026 8 0 "[ . 1 . 2 . 3]" 1
162 1 8 LYS HA 1 8 LYS HD2 . . 4.100 3.362 2.468 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 8 LYS HA 1 8 LYS QD . . 3.760 3.110 2.425 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 8 LYS HA 1 8 LYS HD3 . . 4.100 3.867 2.726 4.174 0.074 25 0 "[ . 1 . 2 . 3]" 1
165 1 8 LYS HA 1 8 LYS QG . . 3.890 2.316 2.021 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 8 LYS HA 1 9 VAL H . . 2.700 2.280 2.155 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 8 LYS HA 1 42 GLU HA . . 2.700 2.327 2.135 2.712 0.012 27 0 "[ . 1 . 2 . 3]" 1
168 1 8 LYS HA 1 43 ALA H . . 4.100 3.405 3.201 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 8 LYS QB 1 69 PHE H . . 5.980 3.316 3.060 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 8 LYS QB 1 69 PHE HB2 . . 4.080 2.157 2.029 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 8 LYS QB 1 69 PHE HB3 . . 6.380 3.401 2.943 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 8 LYS HB2 1 9 VAL H . . 4.400 4.260 3.851 4.425 0.025 12 0 "[ . 1 . 2 . 3]" 1
173 1 8 LYS HB3 1 9 VAL H . . 4.400 3.451 2.618 4.464 0.064 16 0 "[ . 1 . 2 . 3]" 1
174 1 8 LYS QD 1 69 PHE HB2 . . 4.180 3.320 2.755 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 8 LYS QD 1 69 PHE HB3 . . 6.580 3.914 2.912 5.219 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 8 LYS QG 1 9 VAL H . . 4.830 3.705 2.779 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 8 LYS QG 1 69 PHE H . . 5.690 5.086 3.729 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 8 LYS HG2 1 9 VAL H . . 5.100 4.538 2.825 5.132 0.032 24 0 "[ . 1 . 2 . 3]" 1
179 1 8 LYS HG2 1 69 PHE H . . 6.000 5.740 5.392 6.076 0.076 29 0 "[ . 1 . 2 . 3]" 1
180 1 8 LYS HG3 1 9 VAL H . . 5.100 4.179 3.132 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 8 LYS HG3 1 69 PHE H . . 6.000 5.728 3.802 6.015 0.015 21 0 "[ . 1 . 2 . 3]" 1
182 1 9 VAL H 1 9 VAL HB . . 3.700 3.654 3.094 3.763 0.063 19 0 "[ . 1 . 2 . 3]" 1
183 1 9 VAL H 1 10 GLU H . . 5.600 4.380 3.927 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 9 VAL H 1 41 GLN HB3 . . 5.300 3.762 3.178 5.082 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 9 VAL H 1 41 GLN QG . . 6.480 4.137 3.478 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 9 VAL H 1 42 GLU HA . . 3.500 2.734 2.311 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 9 VAL H 1 42 GLU QB . . 6.580 4.489 3.965 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 9 VAL H 1 43 ALA H . . 4.800 4.016 3.456 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 9 VAL HA 1 10 GLU H . . 3.100 2.256 2.105 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 9 VAL HA 1 68 ALA HA . . 2.600 2.468 2.263 2.606 0.006 13 0 "[ . 1 . 2 . 3]" 1
191 1 9 VAL HA 1 68 ALA MB . . 7.000 3.440 3.163 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 9 VAL HA 1 69 PHE H . . 5.200 3.660 3.429 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 9 VAL HB 1 10 GLU H . . 5.300 2.985 2.463 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 9 VAL MG1 1 42 GLU HA . . 6.600 3.826 3.243 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 9 VAL MG1 1 43 ALA H . . 4.800 3.369 2.898 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 9 VAL MG1 1 61 ILE MG . . 5.400 3.116 2.872 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 9 VAL MG1 1 66 PHE HB2 . . 5.600 4.245 3.868 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 9 VAL MG1 1 66 PHE HB3 . . 4.800 3.830 3.541 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 9 VAL MG1 1 68 ALA HA . . 7.000 2.966 2.513 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 9 VAL MG1 1 69 PHE H . . 6.900 3.982 3.569 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 9 VAL MG2 1 10 GLU H . . 4.600 3.718 2.435 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 9 VAL MG2 1 12 MET H . . 6.600 3.909 3.434 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 9 VAL MG2 1 43 ALA MB . . 6.600 2.794 2.211 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 10 GLU H 1 10 GLU HB2 . . 3.200 2.622 2.434 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 10 GLU H 1 10 GLU HG2 . . 5.400 3.058 2.210 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 10 GLU H 1 10 GLU QG . . 5.080 2.753 2.193 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 10 GLU H 1 10 GLU HG3 . . 5.400 3.785 2.743 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 10 GLU H 1 11 GLY H . . 5.300 4.513 4.314 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 10 GLU H 1 66 PHE HB3 . . 6.000 4.047 3.387 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 10 GLU H 1 67 PRO HB2 . . 5.800 4.904 4.454 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 10 GLU H 1 67 PRO HB3 . . 6.000 5.858 5.564 6.030 0.030 29 0 "[ . 1 . 2 . 3]" 1
212 1 10 GLU H 1 67 PRO HG2 . . 6.000 3.147 2.765 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 10 GLU H 1 67 PRO HG3 . . 6.000 4.825 4.417 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 10 GLU H 1 68 ALA HA . . 4.100 4.066 3.907 4.131 0.031 25 0 "[ . 1 . 2 . 3]" 1
215 1 10 GLU H 1 68 ALA MB . . 7.000 4.760 4.569 5.042 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 10 GLU HA 1 10 GLU HG2 . . 3.800 3.165 2.911 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 10 GLU HA 1 10 GLU QG . . 3.360 2.824 2.288 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 10 GLU HA 1 10 GLU HG3 . . 3.800 3.465 2.344 3.837 0.037 21 0 "[ . 1 . 2 . 3]" 1
219 1 10 GLU HA 1 11 GLY H . . 2.500 2.244 2.072 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 10 GLU HA 1 12 MET H . . 4.500 3.944 3.665 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 10 GLU HB2 1 10 GLU HG2 . . 2.800 2.596 2.474 2.838 0.038 20 0 "[ . 1 . 2 . 3]" 1
222 1 10 GLU HB2 1 10 GLU HG3 . . 2.800 2.521 2.335 2.924 0.124 16 0 "[ . 1 . 2 . 3]" 1
223 1 10 GLU HB2 1 11 GLY H . . 3.900 3.887 3.723 3.966 0.066 20 0 "[ . 1 . 2 . 3]" 1
224 1 10 GLU HB2 1 67 PRO QD . . 4.080 3.181 2.604 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 10 GLU HB3 1 11 GLY H . . 3.200 2.881 2.682 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 11 GLY H 1 12 MET H . . 3.400 3.181 2.794 3.415 0.015 13 0 "[ . 1 . 2 . 3]" 1
227 1 11 GLY H 1 41 GLN HB2 . . 5.300 5.250 4.782 5.344 0.044 20 0 "[ . 1 . 2 . 3]" 1
228 1 11 GLY QA 1 66 PHE QD . . 7.150 3.959 2.468 5.695 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 11 GLY HA2 1 66 PHE QD . . 8.000 5.650 4.163 6.948 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 11 GLY HA3 1 66 PHE QD . . 8.000 4.074 2.486 6.804 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 12 MET H 1 12 MET HB2 . . 4.100 2.510 2.205 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 12 MET H 1 12 MET HB3 . . 3.900 3.601 3.517 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 12 MET H 1 12 MET HG2 . . 4.700 3.573 3.045 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 12 MET H 1 12 MET QG . . 4.320 2.399 2.086 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 12 MET H 1 12 MET HG3 . . 4.700 2.444 2.103 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 12 MET H 1 13 THR H . . 5.900 4.109 3.761 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 12 MET H 1 17 CYS QB . . 6.000 5.037 4.658 5.638 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 12 MET H 1 66 PHE QD . . 8.000 4.224 3.369 5.724 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 12 MET HA 1 13 THR H . . 3.000 2.297 2.183 3.027 0.027 10 0 "[ . 1 . 2 . 3]" 1
240 1 12 MET HA 1 14 CYS H . . 4.900 3.742 3.301 4.971 0.071 10 0 "[ . 1 . 2 . 3]" 1
241 1 12 MET HA 1 17 CYS QB . . 4.300 3.061 2.585 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 12 MET HB2 1 13 THR H . . 5.600 4.420 2.195 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 12 MET HB2 1 17 CYS QB . . 4.500 4.209 2.539 4.762 0.262 23 0 "[ . 1 . 2 . 3]" 1
244 1 12 MET HB2 1 38 LEU QD . . 8.470 5.312 3.586 5.772 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 12 MET HB3 1 13 THR H . . 4.000 3.910 1.997 4.094 0.094 14 0 "[ . 1 . 2 . 3]" 1
246 1 12 MET HB3 1 14 CYS H . . 4.800 4.001 3.403 4.960 0.160 30 0 "[ . 1 . 2 . 3]" 1
247 1 12 MET HB3 1 17 CYS QB . . 3.800 2.888 2.084 3.882 0.082 26 0 "[ . 1 . 2 . 3]" 1
248 1 12 MET HB3 1 21 ILE MD . . 7.000 4.849 4.122 5.502 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 12 MET HB3 1 38 LEU QD . . 6.670 4.712 3.927 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 12 MET QG 1 17 CYS QB . . 4.240 2.260 2.024 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 12 MET QG 1 21 ILE MG . . 7.880 5.448 4.244 5.849 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 12 MET HG2 1 17 CYS QB . . 4.800 2.290 2.063 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 12 MET HG2 1 21 ILE MD . . 7.000 3.754 2.425 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 12 MET HG3 1 17 CYS QB . . 4.800 3.610 2.491 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 12 MET HG3 1 21 ILE MD . . 7.000 4.322 3.337 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 13 THR H 1 13 THR MG . . 4.600 3.745 2.747 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 13 THR H 1 14 CYS H . . 3.100 2.783 2.004 3.486 0.386 25 0 "[ . 1 . 2 . 3]" 1
258 1 13 THR H 1 17 CYS QB . . 4.900 4.369 2.973 4.948 0.048 25 0 "[ . 1 . 2 . 3]" 1
259 1 13 THR H 1 38 LEU QD . . 8.570 4.758 4.174 5.472 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 13 THR HA 1 13 THR HB . . 3.000 2.947 2.516 3.031 0.031 13 0 "[ . 1 . 2 . 3]" 1
261 1 13 THR HA 1 13 THR MG . . 3.400 2.313 2.221 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 13 THR HA 1 38 LEU QD . . 7.370 2.957 1.984 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 13 THR HB 1 14 CYS H . . 6.000 4.214 2.590 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 13 THR MG 1 14 CYS H . . 7.000 4.246 3.136 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 14 CYS H 1 17 CYS H . . 4.100 4.381 3.250 5.162 1.062 25 7 "[- *** 1 * . 2 * + 3]" 1
266 1 14 CYS H 1 17 CYS QB . . 5.400 3.903 2.970 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 14 CYS H 1 38 LEU MD1 . . 7.000 3.451 2.396 5.539 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 14 CYS H 1 38 LEU QD . . 5.960 3.216 2.391 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 14 CYS H 1 38 LEU MD2 . . 7.000 4.460 3.067 5.580 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 14 CYS HA 1 14 CYS HB2 . . 2.900 2.467 2.352 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 14 CYS HA 1 14 CYS HB3 . . 2.900 2.450 2.263 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 14 CYS HA 1 38 LEU MD1 . . 7.000 3.322 2.380 5.020 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 14 CYS HA 1 38 LEU QD . . 6.280 3.050 2.370 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 14 CYS HA 1 38 LEU MD2 . . 7.000 4.517 2.834 5.975 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 14 CYS QB 1 38 LEU QD . . 9.450 4.268 3.693 5.405 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 15 HIS HA 1 16 SER H . . 3.300 3.217 2.447 3.604 0.304 17 0 "[ . 1 . 2 . 3]" 1
277 1 15 HIS HA 1 17 CYS H . . 3.900 4.722 3.870 5.458 1.558 23 26 "[*** * ***1 -**********+*******]" 1
278 1 15 HIS HA 1 18 THR H . . 3.900 3.902 3.168 4.381 0.481 19 0 "[ . 1 . 2 . 3]" 1
279 1 15 HIS HA 1 18 THR MG . . 6.400 2.910 1.989 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 15 HIS HA 1 19 SER H . . 3.600 3.649 3.130 4.141 0.541 13 1 "[ . 1 + . 2 . 3]" 1
281 1 15 HIS HA 1 38 LEU HB2 . . 6.000 5.544 4.345 6.316 0.316 6 0 "[ . 1 . 2 . 3]" 1
282 1 15 HIS HA 1 38 LEU HB3 . . 6.000 4.912 4.207 6.513 0.513 20 1 "[ . 1 . + . 3]" 1
283 1 15 HIS HA 1 38 LEU QD . . 8.570 3.042 2.226 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 15 HIS QB 1 16 SER H . . 5.330 3.391 2.185 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 15 HIS HB2 1 16 SER H . . 5.500 3.992 2.936 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 15 HIS HB3 1 16 SER H . . 5.500 3.806 2.202 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 16 SER H 1 17 CYS H . . 4.000 2.835 2.191 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 16 SER HA 1 18 THR H . . 6.000 4.910 4.665 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 16 SER HA 1 19 SER H . . 4.100 3.989 3.761 4.117 0.017 6 0 "[ . 1 . 2 . 3]" 1
290 1 16 SER HA 1 19 SER QB . . 3.980 2.951 2.586 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 17 CYS H 1 17 CYS QB . . 3.300 2.567 2.423 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 17 CYS H 1 18 THR H . . 3.400 2.876 2.653 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 17 CYS H 1 19 SER H . . 5.800 4.472 4.178 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 17 CYS HA 1 20 THR H . . 4.400 3.714 3.428 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 17 CYS HA 1 20 THR HB . . 3.100 2.779 2.265 3.459 0.359 4 0 "[ . 1 . 2 . 3]" 1
296 1 17 CYS HA 1 20 THR MG . . 7.000 4.043 3.503 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 17 CYS QB 1 18 THR H . . 3.500 2.309 2.104 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 17 CYS QB 1 18 THR MG . . 7.000 3.357 2.842 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 18 THR H 1 18 THR MG . . 3.800 2.108 1.923 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 18 THR H 1 19 SER H . . 3.500 2.927 2.789 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 18 THR H 1 20 THR H . . 5.700 4.300 4.083 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 18 THR H 1 21 ILE MG . . 7.000 5.795 5.400 5.862 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 18 THR HA 1 18 THR HB . . 2.800 2.450 2.322 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 18 THR HA 1 21 ILE HB . . 3.500 2.930 2.701 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 18 THR HA 1 21 ILE MD . . 7.000 3.509 2.670 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 18 THR HA 1 21 ILE QG . . 6.280 4.809 4.321 5.332 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 18 THR HA 1 21 ILE MG . . 5.200 3.617 3.126 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 18 THR HA 1 22 GLU H . . 5.500 3.974 3.840 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 18 THR HA 1 36 VAL HB . . 4.000 3.656 3.162 4.016 0.016 21 0 "[ . 1 . 2 . 3]" 1
310 1 18 THR HB 1 19 SER H . . 4.300 3.554 2.843 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 18 THR HB 1 36 VAL QG . . 7.460 2.516 2.198 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 18 THR MG 1 19 SER H . . 6.800 3.082 1.898 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 18 THR MG 1 36 VAL QG . . 8.260 2.633 1.886 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 18 THR MG 1 38 LEU H . . 6.400 4.100 3.085 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 18 THR MG 1 38 LEU HA . . 5.900 3.853 2.854 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 18 THR MG 1 38 LEU HB2 . . 7.000 3.663 2.247 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 18 THR MG 1 38 LEU QB . . 6.650 2.606 1.991 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 18 THR MG 1 38 LEU HB3 . . 7.000 2.871 2.007 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 18 THR MG 1 38 LEU MD1 . . 7.500 3.425 2.043 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 18 THR MG 1 38 LEU QD . . 6.390 2.492 1.934 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 18 THR MG 1 38 LEU MD2 . . 7.500 2.804 2.089 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 19 SER H 1 19 SER HB2 . . 3.200 2.428 2.351 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 19 SER H 1 19 SER HB3 . . 3.200 2.576 2.470 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 19 SER H 1 20 THR H . . 3.700 2.875 2.602 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 19 SER H 1 21 ILE H . . 4.500 4.381 4.141 4.506 0.006 29 0 "[ . 1 . 2 . 3]" 1
326 1 19 SER HA 1 21 ILE H . . 6.000 4.545 4.430 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 19 SER HA 1 22 GLU H . . 4.300 3.390 3.168 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 19 SER HA 1 22 GLU HB2 . . 2.800 2.270 2.109 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 19 SER HA 1 22 GLU HB3 . . 3.200 3.249 3.222 3.278 0.078 26 0 "[ . 1 . 2 . 3]" 1
330 1 19 SER HA 1 22 GLU HG3 . . 5.600 4.501 4.081 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 19 SER HA 1 23 GLY H . . 4.800 3.779 3.649 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 19 SER HA 1 36 VAL HB . . 5.200 5.163 4.835 5.253 0.053 7 0 "[ . 1 . 2 . 3]" 1
333 1 19 SER QB 1 20 THR HB . . 5.480 4.828 4.700 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 19 SER HB2 1 20 THR H . . 4.000 3.930 3.845 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 19 SER HB3 1 20 THR H . . 4.000 2.638 2.519 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 20 THR H 1 20 THR HB . . 3.100 2.465 2.357 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 20 THR H 1 21 ILE H . . 3.400 2.840 2.683 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 20 THR H 1 22 GLU H . . 5.500 4.223 4.095 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 20 THR HA 1 20 THR MG . . 3.700 2.453 2.357 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 20 THR HA 1 22 GLU H . . 6.000 4.679 4.486 4.850 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 20 THR HA 1 23 GLY H . . 4.500 3.607 3.474 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 20 THR HA 1 23 GLY QA . . 4.580 3.805 3.636 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 20 THR HA 1 24 LYS H . . 5.200 3.985 3.797 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 20 THR HB 1 21 ILE H . . 3.300 2.625 2.482 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 20 THR MG 1 21 ILE H . . 5.400 3.390 3.181 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 20 THR MG 1 21 ILE HA . . 7.000 3.516 3.328 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 21 ILE H 1 21 ILE HB . . 3.000 2.054 1.999 2.123 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 21 ILE H 1 21 ILE MD . . 5.100 3.272 2.358 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 21 ILE H 1 21 ILE QG . . 4.280 2.964 2.411 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 21 ILE H 1 21 ILE MG . . 4.100 3.462 3.274 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 21 ILE H 1 22 GLU H . . 3.500 2.682 2.596 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 21 ILE HA 1 21 ILE HG12 . . 3.700 2.721 2.471 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 21 ILE HA 1 21 ILE QG . . 3.300 2.169 2.059 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 21 ILE HA 1 21 ILE HG13 . . 3.700 2.308 2.148 2.609 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 21 ILE HA 1 24 LYS H . . 5.400 3.302 3.159 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 21 ILE HA 1 24 LYS HB2 . . 3.200 3.164 2.943 3.248 0.048 14 0 "[ . 1 . 2 . 3]" 1
357 1 21 ILE HA 1 24 LYS HB3 . . 3.200 2.973 2.659 3.205 0.005 21 0 "[ . 1 . 2 . 3]" 1
358 1 21 ILE HA 1 25 ILE MG . . 7.000 5.698 5.229 5.853 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 21 ILE HA 1 64 MET ME . . 6.300 2.907 2.607 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 21 ILE HB 1 21 ILE HG12 . . 3.000 2.974 2.595 3.028 0.028 1 0 "[ . 1 . 2 . 3]" 1
361 1 21 ILE HB 1 21 ILE HG13 . . 3.000 2.653 2.506 3.028 0.028 11 0 "[ . 1 . 2 . 3]" 1
362 1 21 ILE HB 1 22 GLU H . . 3.300 2.878 2.533 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 21 ILE HB 1 36 VAL QG . . 7.860 3.294 2.834 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 21 ILE MD 1 36 VAL QG . . 8.160 3.514 2.889 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 21 ILE MD 1 61 ILE MD . . 7.900 4.014 3.210 5.364 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 21 ILE MD 1 61 ILE MG . . 7.300 2.643 1.975 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 21 ILE MD 1 66 PHE HB2 . . 7.000 3.576 3.086 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 21 ILE MD 1 66 PHE HB3 . . 7.000 4.268 3.597 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 21 ILE MD 1 66 PHE QD . . 9.000 2.181 1.997 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 21 ILE QG 1 22 GLU H . . 6.880 4.386 4.217 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 21 ILE HG12 1 21 ILE MG . . 3.700 2.222 2.120 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 21 ILE HG13 1 21 ILE MG . . 3.700 3.082 2.600 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 21 ILE MG 1 22 GLU H . . 5.200 2.666 2.372 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 21 ILE MG 1 22 GLU HA . . 7.000 3.159 2.939 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 21 ILE MG 1 25 ILE QG . . 6.380 2.341 2.070 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 22 GLU H 1 22 GLU HB2 . . 3.400 2.095 2.069 2.141 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 22 GLU H 1 22 GLU HB3 . . 3.600 3.374 3.280 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 22 GLU H 1 22 GLU HG2 . . 4.800 4.174 3.918 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 22 GLU H 1 22 GLU HG3 . . 3.300 3.165 2.657 3.332 0.032 19 0 "[ . 1 . 2 . 3]" 1
380 1 22 GLU H 1 24 LYS H . . 5.600 4.375 4.260 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 22 GLU H 1 34 ILE MG . . 7.000 5.319 4.856 5.832 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 22 GLU H 1 36 VAL QG . . 6.960 3.505 3.137 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 22 GLU HA 1 22 GLU HG2 . . 3.500 2.384 2.235 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 22 GLU HA 1 22 GLU HG3 . . 3.800 2.407 2.260 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 22 GLU HA 1 25 ILE H . . 5.600 4.028 3.716 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 22 GLU HA 1 25 ILE MG . . 5.600 4.526 4.062 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 22 GLU HA 1 34 ILE MD . . 4.800 2.094 1.927 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 22 GLU HA 1 34 ILE MG . . 4.500 3.046 2.540 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 22 GLU HB2 1 23 GLY H . . 3.400 3.091 2.685 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 22 GLU HB2 1 24 LYS H . . 5.600 5.547 5.282 5.623 0.023 20 0 "[ . 1 . 2 . 3]" 1
391 1 22 GLU HB3 1 23 GLY H . . 3.600 2.967 2.802 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 22 GLU HB3 1 23 GLY QA . . 5.180 3.959 3.802 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 22 GLU HB3 1 26 GLY H . . 5.400 5.242 5.086 5.404 0.004 20 0 "[ . 1 . 2 . 3]" 1
394 1 22 GLU HG2 1 34 ILE MD . . 7.000 2.970 2.476 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 22 GLU HG2 1 34 ILE HG12 . . 3.400 2.388 2.139 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 22 GLU HG2 1 34 ILE HG13 . . 4.600 4.086 3.842 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 22 GLU HG2 1 34 ILE MG . . 5.200 2.236 2.037 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 22 GLU HG2 1 35 LYS HA . . 4.900 4.208 3.326 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 22 GLU HG2 1 36 VAL H . . 5.500 4.087 3.240 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 22 GLU HG3 1 34 ILE MD . . 7.000 3.051 2.326 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 22 GLU HG3 1 34 ILE HG12 . . 3.100 2.632 2.285 3.103 0.003 26 0 "[ . 1 . 2 . 3]" 1
402 1 22 GLU HG3 1 34 ILE MG . . 7.000 3.559 3.319 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 22 GLU HG3 1 35 LYS HA . . 5.200 4.395 3.626 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 22 GLU HG3 1 36 VAL H . . 5.600 3.432 2.847 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 22 GLU HG3 1 36 VAL HB . . 3.700 2.964 2.392 3.710 0.010 6 0 "[ . 1 . 2 . 3]" 1
406 1 22 GLU HG3 1 36 VAL QG . . 8.160 2.181 2.065 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 23 GLY H 1 23 GLY HA2 . . 2.800 2.810 2.803 2.821 0.021 10 0 "[ . 1 . 2 . 3]" 1
408 1 23 GLY H 1 23 GLY HA3 . . 2.800 2.282 2.274 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 23 GLY H 1 24 LYS H . . 3.000 2.912 2.851 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 24 LYS H 1 24 LYS HB2 . . 3.100 2.226 2.112 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 24 LYS H 1 24 LYS HB3 . . 3.500 2.907 2.768 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 24 LYS H 1 24 LYS HG2 . . 5.500 4.569 4.138 4.719 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 24 LYS H 1 24 LYS HG3 . . 5.500 4.443 4.063 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 24 LYS H 1 25 ILE H . . 3.200 2.795 2.656 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 24 LYS H 1 26 GLY H . . 4.700 4.096 3.857 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 24 LYS H 1 64 MET ME . . 5.300 4.420 4.284 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 24 LYS HA 1 24 LYS HB2 . . 3.000 2.681 2.602 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 24 LYS HA 1 24 LYS HG2 . . 4.100 3.387 2.258 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 24 LYS HA 1 24 LYS HG3 . . 4.100 2.642 2.176 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 24 LYS HA 1 25 ILE H . . 3.500 3.533 3.521 3.549 0.049 30 0 "[ . 1 . 2 . 3]" 1
421 1 24 LYS HA 1 26 GLY H . . 6.000 4.585 4.378 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 24 LYS HA 1 27 LYS H . . 4.500 3.745 3.409 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 24 LYS HB2 1 25 ILE H . . 3.500 3.445 3.298 3.527 0.027 9 0 "[ . 1 . 2 . 3]" 1
424 1 24 LYS QG 1 28 LEU QD . . 9.450 3.825 3.015 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 25 ILE H 1 25 ILE HB . . 3.000 2.445 2.289 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 25 ILE H 1 25 ILE MD . . 4.400 3.327 2.073 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 25 ILE H 1 25 ILE HG12 . . 4.200 2.311 2.062 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 25 ILE H 1 25 ILE QG . . 3.770 2.265 2.048 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 25 ILE H 1 25 ILE HG13 . . 4.200 3.584 3.482 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 25 ILE H 1 25 ILE MG . . 4.600 3.776 3.713 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 25 ILE H 1 26 GLY H . . 3.200 2.647 2.528 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 25 ILE H 1 27 LYS H . . 5.500 4.110 3.962 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 25 ILE H 1 64 MET ME . . 6.800 4.568 4.078 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 25 ILE HA 1 25 ILE MD . . 3.400 2.153 2.053 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 25 ILE HA 1 25 ILE HG12 . . 3.900 3.078 2.864 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 25 ILE HA 1 25 ILE QG . . 3.280 2.887 2.443 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 25 ILE HA 1 25 ILE HG13 . . 3.900 3.694 2.480 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 25 ILE HA 1 25 ILE MG . . 3.600 2.438 2.331 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 25 ILE HA 1 28 LEU H . . 4.000 3.447 3.273 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 25 ILE HA 1 28 LEU MD1 . . 6.700 3.226 1.963 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 25 ILE HA 1 28 LEU QD . . 5.570 2.674 1.961 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 25 ILE HA 1 28 LEU MD2 . . 6.700 3.185 2.294 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 25 ILE HA 1 28 LEU HG . . 3.800 2.285 2.050 3.855 0.055 3 0 "[ . 1 . 2 . 3]" 1
444 1 25 ILE HA 1 34 ILE MG . . 7.000 5.826 5.580 5.868 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 25 ILE HB 1 25 ILE MD . . 3.700 3.134 2.454 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 25 ILE HB 1 25 ILE HG12 . . 3.000 2.437 2.362 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 25 ILE HB 1 25 ILE QG . . 2.670 2.131 2.102 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 25 ILE HB 1 25 ILE HG13 . . 3.000 2.375 2.300 3.025 0.025 9 0 "[ . 1 . 2 . 3]" 1
449 1 25 ILE HB 1 26 GLY H . . 3.600 2.858 2.651 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 25 ILE HB 1 34 ILE MD . . 5.400 2.130 2.034 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 25 ILE MD 1 28 LEU QD . . 8.870 2.559 2.076 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 25 ILE MD 1 61 ILE MG . . 7.900 4.311 3.766 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 25 ILE QG 1 26 GLY H . . 5.000 4.169 4.038 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 25 ILE QG 1 27 LYS H . . 6.880 5.610 5.454 6.127 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 25 ILE QG 1 61 ILE H . . 6.880 4.943 4.510 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 25 ILE HG12 1 26 GLY H . . 5.600 4.442 4.291 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 25 ILE HG13 1 26 GLY H . . 5.600 5.071 4.865 5.187 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 25 ILE MG 1 26 GLY H . . 5.600 3.553 3.141 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 25 ILE MG 1 27 LYS H . . 6.100 4.827 4.674 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 25 ILE MG 1 47 TYR QB . . 7.080 4.878 4.240 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 25 ILE MG 1 57 MET HB3 . . 5.900 4.040 3.518 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 26 GLY H 1 26 GLY HA3 . . 2.900 2.270 2.257 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 26 GLY H 1 27 LYS H . . 3.300 2.926 2.855 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 26 GLY H 1 28 LEU H . . 5.300 4.404 4.196 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 26 GLY H 1 31 VAL QG . . 8.360 4.395 3.785 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 26 GLY H 1 34 ILE MD . . 5.900 3.121 2.432 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 26 GLY HA2 1 31 VAL HB . . 5.700 4.178 3.164 5.446 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 26 GLY HA2 1 31 VAL QG . . 6.760 2.960 2.357 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 26 GLY HA2 1 34 ILE MG . . 5.600 3.007 2.257 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 26 GLY HA3 1 27 LYS H . . 3.600 2.984 2.842 3.136 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 26 GLY HA3 1 31 VAL QG . . 7.160 4.307 3.747 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 26 GLY HA3 1 34 ILE MG . . 5.600 3.444 2.830 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 27 LYS H 1 27 LYS HB2 . . 3.200 2.508 2.185 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 27 LYS H 1 27 LYS HB3 . . 3.200 2.422 2.201 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 27 LYS H 1 27 LYS QD . . 6.200 4.444 4.148 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 27 LYS H 1 27 LYS HG2 . . 4.500 4.324 4.148 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 27 LYS H 1 27 LYS QG . . 4.260 3.851 3.794 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 27 LYS H 1 27 LYS HG3 . . 4.500 4.340 4.127 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 27 LYS H 1 28 LEU H . . 2.900 2.802 2.580 2.917 0.017 26 0 "[ . 1 . 2 . 3]" 1
480 1 27 LYS HA 1 27 LYS HB2 . . 2.500 2.442 2.324 2.564 0.064 10 0 "[ . 1 . 2 . 3]" 1
481 1 27 LYS HA 1 27 LYS QD . . 5.100 3.936 3.660 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 27 LYS HA 1 27 LYS HG2 . . 3.600 3.208 2.324 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 27 LYS HA 1 27 LYS QG . . 3.340 2.344 2.129 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 27 LYS HA 1 27 LYS HG3 . . 3.600 2.452 2.166 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 27 LYS HA 1 28 LEU QD . . 8.470 4.685 4.399 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 27 LYS HB2 1 28 LEU QD . . 7.970 4.778 3.994 5.341 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 27 LYS HB3 1 28 LEU H . . 4.500 3.712 3.167 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 27 LYS HB3 1 28 LEU QD . . 7.970 3.444 2.426 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 27 LYS QG 1 28 LEU H . . 6.880 4.320 3.931 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 28 LEU H 1 28 LEU HB2 . . 3.100 2.440 2.287 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 28 LEU H 1 28 LEU HB3 . . 3.500 3.556 3.537 3.571 0.071 4 0 "[ . 1 . 2 . 3]" 1
492 1 28 LEU H 1 28 LEU MD1 . . 4.900 3.890 2.342 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 28 LEU H 1 28 LEU QD . . 4.490 2.744 2.329 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 28 LEU H 1 28 LEU MD2 . . 4.900 2.919 2.464 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 28 LEU H 1 28 LEU HG . . 3.500 2.659 2.380 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 28 LEU H 1 29 GLN H . . 6.000 4.579 4.503 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 28 LEU H 1 31 VAL HB . . 4.400 4.162 3.728 4.418 0.018 15 0 "[ . 1 . 2 . 3]" 1
498 1 28 LEU H 1 31 VAL QG . . 8.060 3.541 2.578 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 28 LEU HA 1 28 LEU HB3 . . 2.800 2.390 2.311 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 28 LEU HA 1 28 LEU MD1 . . 4.100 3.457 3.385 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 28 LEU HA 1 28 LEU QD . . 3.680 2.126 2.023 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 28 LEU HA 1 28 LEU MD2 . . 4.100 2.149 2.035 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 28 LEU HA 1 28 LEU HG . . 3.600 3.376 2.220 3.615 0.015 5 0 "[ . 1 . 2 . 3]" 1
504 1 28 LEU HA 1 29 GLN H . . 2.600 2.199 2.111 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 28 LEU HB2 1 29 GLN H . . 4.100 3.925 3.542 4.119 0.019 29 0 "[ . 1 . 2 . 3]" 1
506 1 28 LEU HB2 1 29 GLN HA . . 5.000 5.043 4.945 5.099 0.099 3 0 "[ . 1 . 2 . 3]" 1
507 1 28 LEU HB2 1 31 VAL H . . 4.800 3.957 3.193 4.818 0.018 5 0 "[ . 1 . 2 . 3]" 1
508 1 28 LEU HB2 1 31 VAL HB . . 4.100 3.338 2.257 4.120 0.020 20 0 "[ . 1 . 2 . 3]" 1
509 1 28 LEU HB3 1 28 LEU MD1 . . 3.500 2.193 2.109 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 28 LEU HB3 1 28 LEU MD2 . . 3.500 2.720 2.135 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 28 LEU HB3 1 29 GLN H . . 3.600 2.814 2.251 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 28 LEU QD 1 29 GLN H . . 6.070 3.400 3.132 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 28 LEU QD 1 31 VAL HB . . 8.570 4.684 3.590 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 28 LEU QD 1 57 MET HA . . 6.770 3.466 2.654 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 28 LEU QD 1 60 GLN H . . 8.570 4.725 4.316 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 28 LEU QD 1 60 GLN HB2 . . 8.270 3.388 2.879 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 28 LEU QD 1 60 GLN HB3 . . 8.470 3.419 2.898 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 28 LEU QD 1 60 GLN QE . . 8.480 3.137 1.951 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 28 LEU QD 1 60 GLN QG . . 7.900 2.328 2.049 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 28 LEU MD1 1 60 GLN HE21 . . 10.140 3.761 2.134 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 28 LEU MD1 1 60 GLN HE22 . . 10.140 4.578 2.293 6.131 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 28 LEU MD1 1 60 GLN HG2 . . 10.140 3.537 2.311 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 28 LEU MD1 1 60 GLN HG3 . . 10.140 2.699 2.131 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 28 LEU MD2 1 60 GLN HE21 . . 10.140 3.999 2.056 5.625 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 28 LEU MD2 1 60 GLN HE22 . . 10.140 4.386 2.246 6.826 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 28 LEU MD2 1 60 GLN HG2 . . 10.140 4.380 2.815 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 28 LEU MD2 1 60 GLN HG3 . . 10.140 3.468 2.311 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 29 GLN H 1 29 GLN QB . . 3.700 2.480 2.199 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 29 GLN H 1 29 GLN HG2 . . 5.600 2.700 1.983 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 29 GLN H 1 29 GLN HG3 . . 5.600 3.787 2.728 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 29 GLN HA 1 29 GLN QG . . 3.720 3.106 2.355 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 29 GLN HA 1 30 GLY H . . 2.400 2.239 2.078 2.412 0.012 8 0 "[ . 1 . 2 . 3]" 1
533 1 29 GLN HA 1 52 ILE MD . . 7.000 4.685 4.016 5.363 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 29 GLN QB 1 30 GLY H . . 4.300 3.784 3.300 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 29 GLN QB 1 31 VAL H . . 7.000 5.265 4.838 5.538 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 29 GLN QB 1 51 LEU QD . . 9.570 4.096 3.380 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 29 GLN QB 1 52 ILE MD . . 8.000 4.046 3.125 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 29 GLN QG 1 30 GLY H . . 5.090 3.891 2.430 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 29 GLN QG 1 52 ILE H . . 6.880 6.135 5.972 6.157 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 29 GLN HG2 1 30 GLY H . . 5.600 4.444 3.272 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 29 GLN HG3 1 30 GLY H . . 5.600 4.431 2.492 5.255 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 30 GLY H 1 30 GLY HA2 . . 2.800 2.649 2.334 2.998 0.198 10 0 "[ . 1 . 2 . 3]" 1
543 1 30 GLY H 1 31 VAL H . . 3.100 2.023 1.938 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 30 GLY H 1 31 VAL HB . . 4.200 4.071 3.541 4.255 0.055 30 0 "[ . 1 . 2 . 3]" 1
545 1 30 GLY H 1 31 VAL QG . . 8.560 3.743 2.570 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 30 GLY H 1 51 LEU HB2 . . 6.000 4.834 4.571 5.317 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 30 GLY H 1 51 LEU HB3 . . 6.000 4.502 4.089 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 30 GLY H 1 51 LEU QD . . 6.670 3.728 3.292 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 30 GLY HA2 1 48 GLN HB2 . . 5.900 4.199 3.473 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 30 GLY HA2 1 48 GLN QB . . 5.310 3.259 2.979 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 30 GLY HA2 1 48 GLN HB3 . . 5.900 3.429 3.063 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 30 GLY HA2 1 51 LEU HB2 . . 3.700 2.370 2.215 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 30 GLY HA2 1 51 LEU HB3 . . 5.200 2.639 2.196 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 30 GLY HA2 1 51 LEU QD . . 6.370 2.117 2.023 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 30 GLY HA2 1 51 LEU HG . . 4.100 4.159 3.986 4.505 0.405 22 0 "[ . 1 . 2 . 3]" 1
556 1 30 GLY HA3 1 48 GLN H . . 4.600 4.112 3.937 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 30 GLY HA3 1 48 GLN QB . . 4.880 3.979 3.736 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 30 GLY HA3 1 51 LEU H . . 4.700 4.652 4.371 5.395 0.695 9 1 "[ . +1 . 2 . 3]" 1
559 1 30 GLY HA3 1 51 LEU HB2 . . 3.200 2.496 2.311 3.302 0.102 9 0 "[ . 1 . 2 . 3]" 1
560 1 30 GLY HA3 1 51 LEU HB3 . . 4.100 2.700 2.406 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 30 GLY HA3 1 51 LEU QD . . 7.170 3.280 3.149 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 30 GLY HA3 1 52 ILE MG . . 5.000 2.939 2.745 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 31 VAL H 1 31 VAL HB . . 2.700 2.350 2.173 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 31 VAL H 1 31 VAL MG1 . . 4.500 3.424 2.175 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 31 VAL H 1 31 VAL QG . . 3.860 2.444 2.161 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 31 VAL H 1 31 VAL MG2 . . 4.500 2.789 2.252 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 31 VAL H 1 32 GLN H . . 5.200 4.534 4.289 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 31 VAL HA 1 32 GLN H . . 2.400 2.250 2.190 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 31 VAL HA 1 33 ARG H . . 5.300 4.022 3.791 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 31 VAL HA 1 47 TYR HA . . 2.700 2.124 2.020 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 31 VAL HA 1 47 TYR HB2 . . 4.400 2.771 2.260 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 31 VAL HA 1 47 TYR HB3 . . 4.400 3.190 2.472 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 31 VAL HA 1 48 GLN H . . 4.400 3.224 3.024 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 31 VAL HA 1 48 GLN QB . . 4.780 4.333 4.289 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 31 VAL HB 1 32 GLN H . . 5.000 4.105 3.880 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 31 VAL QG 1 32 GLN H . . 4.860 2.380 2.131 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 31 VAL QG 1 32 GLN HA . . 8.560 3.730 3.433 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 31 VAL QG 1 33 ARG H . . 5.960 2.472 2.179 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 31 VAL QG 1 47 TYR HA . . 8.560 3.096 2.807 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 31 VAL MG1 1 32 GLN H . . 5.400 2.633 2.209 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 31 VAL MG2 1 32 GLN H . . 5.400 3.512 2.157 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 32 GLN H 1 32 GLN HB2 . . 3.700 2.790 2.307 3.742 0.042 9 0 "[ . 1 . 2 . 3]" 1
583 1 32 GLN H 1 32 GLN HG2 . . 4.400 3.124 2.357 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 32 GLN H 1 32 GLN HG3 . . 4.700 3.573 2.354 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 32 GLN H 1 33 ARG H . . 2.900 2.069 1.987 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 32 GLN H 1 46 VAL HB . . 6.000 3.796 3.468 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 32 GLN H 1 46 VAL MG2 . . 7.000 5.129 4.913 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 32 GLN H 1 47 TYR HA . . 3.300 2.508 2.187 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 32 GLN H 1 48 GLN H . . 5.600 4.361 3.916 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 32 GLN HA 1 32 GLN HB2 . . 3.000 2.812 2.288 3.025 0.025 10 0 "[ . 1 . 2 . 3]" 1
591 1 32 GLN HA 1 32 GLN HB3 . . 2.700 2.529 2.383 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 32 GLN HA 1 32 GLN HG2 . . 4.000 2.963 2.316 4.070 0.070 9 0 "[ . 1 . 2 . 3]" 1
593 1 32 GLN HA 1 32 GLN HG3 . . 4.000 3.662 3.578 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 32 GLN HB2 1 32 GLN HG3 . . 2.800 2.451 2.251 2.860 0.060 9 0 "[ . 1 . 2 . 3]" 1
595 1 32 GLN HB3 1 32 GLN HG2 . . 2.900 2.755 2.182 2.979 0.079 27 0 "[ . 1 . 2 . 3]" 1
596 1 32 GLN HB3 1 33 ARG H . . 4.100 3.734 3.222 4.141 0.041 3 0 "[ . 1 . 2 . 3]" 1
597 1 32 GLN HB3 1 47 TYR HA . . 4.900 4.834 4.286 4.968 0.068 11 0 "[ . 1 . 2 . 3]" 1
598 1 32 GLN HG2 1 47 TYR HA . . 4.200 3.834 3.333 4.244 0.044 11 0 "[ . 1 . 2 . 3]" 1
599 1 32 GLN HG3 1 33 ARG H . . 6.000 4.201 2.158 5.420 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 32 GLN HG3 1 33 ARG QB . . 6.500 4.777 2.190 5.808 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 33 ARG H 1 34 ILE H . . 4.300 4.328 4.312 4.347 0.047 25 0 "[ . 1 . 2 . 3]" 1
602 1 33 ARG H 1 46 VAL H . . 3.500 3.440 3.273 3.538 0.038 11 0 "[ . 1 . 2 . 3]" 1
603 1 33 ARG H 1 46 VAL HB . . 4.100 2.350 2.197 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 33 ARG H 1 46 VAL MG1 . . 5.800 3.634 3.199 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 33 ARG H 1 46 VAL MG2 . . 5.600 3.793 3.555 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 33 ARG H 1 47 TYR HA . . 5.100 4.055 3.798 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 33 ARG HA 1 33 ARG HG2 . . 4.200 3.000 2.242 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 33 ARG HA 1 33 ARG HG3 . . 4.200 2.431 2.143 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 33 ARG HA 1 34 ILE H . . 2.400 2.451 2.408 2.509 0.109 16 0 "[ . 1 . 2 . 3]" 1
610 1 33 ARG QB 1 46 VAL H . . 6.500 4.074 3.758 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 33 ARG QB 1 46 VAL MG2 . . 7.200 2.364 2.144 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 33 ARG QD 1 46 VAL HB . . 6.500 4.523 3.871 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 33 ARG QD 1 46 VAL MG1 . . 8.000 4.272 3.234 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 33 ARG QD 1 46 VAL MG2 . . 8.000 3.849 2.779 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 33 ARG QG 1 46 VAL MG2 . . 6.460 3.638 2.779 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 33 ARG HG2 1 46 VAL MG2 . . 7.000 3.838 2.822 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 33 ARG HG3 1 46 VAL MG2 . . 7.000 4.602 4.160 5.587 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 34 ILE H 1 34 ILE HB . . 3.400 3.429 3.387 3.460 0.060 28 0 "[ . 1 . 2 . 3]" 1
619 1 34 ILE H 1 34 ILE HG12 . . 4.800 4.355 4.235 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 34 ILE H 1 34 ILE HG13 . . 4.800 4.576 4.481 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 34 ILE H 1 34 ILE MG . . 3.800 2.435 2.239 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 34 ILE H 1 35 LYS H . . 4.000 4.067 4.011 4.099 0.099 9 0 "[ . 1 . 2 . 3]" 1
623 1 34 ILE H 1 35 LYS HA . . 4.500 4.530 4.492 4.565 0.065 22 0 "[ . 1 . 2 . 3]" 1
624 1 34 ILE H 1 35 LYS HD3 . . 5.200 5.220 5.057 5.311 0.111 28 0 "[ . 1 . 2 . 3]" 1
625 1 34 ILE HA 1 34 ILE HB . . 2.600 2.392 2.318 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 34 ILE HA 1 34 ILE MD . . 4.500 3.672 3.559 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 34 ILE HA 1 34 ILE HG12 . . 4.200 3.254 2.979 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 34 ILE HA 1 34 ILE HG13 . . 3.200 2.406 2.338 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 34 ILE HA 1 35 LYS H . . 2.600 2.216 2.164 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 34 ILE HA 1 45 ILE HA . . 2.700 2.489 2.230 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 34 ILE HB 1 34 ILE HG13 . . 2.700 2.532 2.388 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 34 ILE HB 1 45 ILE HA . . 4.700 3.403 3.140 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 34 ILE MD 1 35 LYS H . . 7.000 4.146 3.944 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 34 ILE HG12 1 35 LYS H . . 5.200 3.014 2.675 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 34 ILE HG12 1 45 ILE HA . . 6.000 4.448 4.253 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 34 ILE HG12 1 46 VAL H . . 5.500 5.550 5.509 5.596 0.096 11 0 "[ . 1 . 2 . 3]" 1
637 1 34 ILE HG13 1 35 LYS H . . 4.500 2.563 2.243 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 34 ILE HG13 1 45 ILE HA . . 4.800 2.785 2.562 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 34 ILE MG 1 35 LYS H . . 6.000 4.047 3.875 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 34 ILE MG 1 36 VAL H . . 7.000 4.878 4.298 5.757 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 35 LYS H 1 35 LYS HB2 . . 3.500 2.855 2.740 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 35 LYS H 1 35 LYS HB3 . . 3.700 3.746 3.706 3.775 0.075 28 0 "[ . 1 . 2 . 3]" 1
643 1 35 LYS H 1 36 VAL H . . 5.700 3.896 3.457 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 35 LYS H 1 36 VAL QG . . 6.660 3.411 2.976 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 35 LYS H 1 44 THR H . . 3.500 3.334 3.122 3.519 0.019 20 0 "[ . 1 . 2 . 3]" 1
646 1 35 LYS H 1 44 THR HB . . 5.400 2.387 2.085 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 35 LYS H 1 44 THR MG . . 6.600 3.314 2.912 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 35 LYS H 1 45 ILE MD . . 5.000 3.846 3.351 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 35 LYS H 1 45 ILE QG . . 5.280 4.568 4.184 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 35 LYS HA 1 35 LYS HB3 . . 3.000 2.674 2.625 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 35 LYS HA 1 35 LYS HD2 . . 4.600 3.072 2.919 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 35 LYS HA 1 35 LYS HD3 . . 4.700 2.083 1.991 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 35 LYS HA 1 35 LYS QE . . 5.600 3.973 3.874 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 35 LYS HA 1 36 VAL H . . 3.000 2.244 2.106 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 35 LYS HA 1 44 THR H . . 6.000 4.739 4.605 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 35 LYS HA 1 44 THR HB . . 3.700 3.853 3.804 3.925 0.225 20 0 "[ . 1 . 2 . 3]" 1
657 1 35 LYS HA 1 44 THR MG . . 7.000 4.844 4.503 5.025 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 35 LYS HB2 1 36 VAL QG . . 8.460 5.088 4.893 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 35 LYS HB2 1 44 THR H . . 6.000 4.256 4.096 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 35 LYS HB2 1 44 THR HB . . 3.600 2.077 2.000 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 35 LYS HB3 1 35 LYS HD2 . . 3.200 2.435 2.321 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 35 LYS HB3 1 35 LYS HD3 . . 3.100 3.110 2.802 3.153 0.053 11 0 "[ . 1 . 2 . 3]" 1
663 1 35 LYS HB3 1 44 THR H . . 6.000 4.267 3.943 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 35 LYS HB3 1 44 THR MG . . 7.000 3.653 3.184 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 35 LYS HD2 1 36 VAL H . . 4.900 4.098 3.097 4.903 0.003 1 0 "[ . 1 . 2 . 3]" 1
666 1 35 LYS HD3 1 36 VAL H . . 6.000 3.517 3.075 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 35 LYS HD3 1 36 VAL QG . . 8.560 5.140 4.796 5.537 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 35 LYS QG 1 36 VAL H . . 7.000 4.549 4.229 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 36 VAL H 1 36 VAL HB . . 3.400 2.574 2.379 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 36 VAL H 1 37 SER H . . 5.900 4.368 4.023 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 36 VAL HA 1 37 SER H . . 2.800 2.189 2.053 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 36 VAL HA 1 43 ALA HA . . 2.400 2.119 2.014 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 36 VAL HA 1 43 ALA MB . . 7.000 3.243 2.544 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 36 VAL HA 1 44 THR H . . 3.700 2.786 2.398 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 36 VAL HB 1 37 SER H . . 4.600 4.391 3.960 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 36 VAL QG 1 37 SER H . . 5.130 2.898 2.252 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 36 VAL QG 1 42 GLU H . . 7.560 4.421 3.648 5.020 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 36 VAL QG 1 43 ALA HA . . 5.910 2.552 1.998 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 36 VAL QG 1 43 ALA MB . . 5.310 2.109 1.879 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 36 VAL MG1 1 37 SER H . . 6.100 2.974 2.267 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 36 VAL MG1 1 43 ALA HA . . 6.500 2.879 2.336 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 36 VAL MG1 1 43 ALA MB . . 6.100 2.377 2.031 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 36 VAL MG1 1 44 THR H . . 5.600 4.299 4.044 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 36 VAL MG2 1 37 SER H . . 6.100 4.109 3.863 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 36 VAL MG2 1 43 ALA HA . . 6.500 2.884 2.171 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 36 VAL MG2 1 43 ALA MB . . 6.100 2.396 2.115 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 36 VAL MG2 1 44 THR H . . 5.600 3.252 2.813 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 37 SER H 1 37 SER HB2 . . 3.200 2.565 2.409 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 37 SER H 1 37 SER HB3 . . 3.800 3.652 3.485 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 37 SER H 1 42 GLU H . . 3.700 3.585 2.972 3.772 0.072 11 0 "[ . 1 . 2 . 3]" 1
691 1 37 SER H 1 42 GLU QB . . 6.880 4.032 3.175 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 37 SER H 1 43 ALA HA . . 3.900 2.861 2.246 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 37 SER H 1 43 ALA MB . . 7.000 4.044 3.174 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 37 SER HA 1 37 SER HB2 . . 2.900 2.971 2.951 2.979 0.079 15 0 "[ . 1 . 2 . 3]" 1
695 1 37 SER HA 1 37 SER HB3 . . 2.700 2.356 2.285 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 37 SER HA 1 38 LEU H . . 3.000 2.360 2.184 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 37 SER HB2 1 40 ASN H . . 5.300 3.775 3.409 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 37 SER HB2 1 40 ASN QB . . 4.380 3.644 2.945 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 37 SER HB2 1 41 GLN H . . 5.400 4.635 4.286 5.177 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 37 SER HB2 1 42 GLU H . . 4.800 2.733 2.322 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 37 SER HB3 1 40 ASN H . . 6.000 3.297 2.805 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 37 SER HB3 1 40 ASN QB . . 5.880 3.748 2.847 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 37 SER HB3 1 42 GLU H . . 6.000 4.138 3.855 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 38 LEU H 1 38 LEU HB2 . . 3.800 3.531 2.408 3.852 0.052 22 0 "[ . 1 . 2 . 3]" 1
705 1 38 LEU H 1 38 LEU QB . . 3.600 2.763 2.090 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 38 LEU H 1 38 LEU HB3 . . 3.800 2.920 2.130 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 38 LEU H 1 39 ASP H . . 4.300 2.408 1.980 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 38 LEU HA 1 38 LEU HG . . 4.000 3.644 2.615 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 38 LEU HA 1 41 GLN H . . 4.500 3.605 3.400 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 38 LEU HA 1 41 GLN HA . . 3.500 2.941 2.726 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 38 LEU QB 1 39 ASP H . . 3.770 3.193 2.286 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 38 LEU QB 1 41 GLN HA . . 5.280 4.586 4.275 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 38 LEU HB2 1 38 LEU HG . . 3.000 2.737 2.477 3.034 0.034 12 0 "[ . 1 . 2 . 3]" 1
714 1 38 LEU HB2 1 39 ASP H . . 4.200 3.662 3.338 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 38 LEU HB3 1 38 LEU HG . . 3.000 2.906 2.396 3.036 0.036 11 0 "[ . 1 . 2 . 3]" 1
716 1 38 LEU HB3 1 39 ASP H . . 4.200 3.768 2.306 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 38 LEU QD 1 39 ASP H . . 8.570 2.922 2.378 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 38 LEU HG 1 39 ASP H . . 6.000 2.343 1.979 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 38 LEU HG 1 39 ASP HA . . 4.100 3.801 3.192 4.125 0.025 14 0 "[ . 1 . 2 . 3]" 1
720 1 39 ASP H 1 39 ASP HB2 . . 3.900 2.822 2.732 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 39 ASP H 1 39 ASP HB3 . . 3.900 3.519 3.491 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 39 ASP H 1 40 ASN H . . 4.400 2.992 2.834 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 39 ASP H 1 41 GLN H . . 4.900 3.999 3.781 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 39 ASP HA 1 40 ASN HA . . 5.200 4.609 4.541 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 39 ASP HA 1 41 GLN HA . . 5.600 5.622 5.590 5.647 0.047 7 0 "[ . 1 . 2 . 3]" 1
726 1 39 ASP QB 1 40 ASN H . . 4.380 2.078 1.984 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 39 ASP QB 1 40 ASN HA . . 4.120 3.739 3.706 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 39 ASP HB2 1 40 ASN H . . 4.800 2.096 1.999 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 39 ASP HB2 1 40 ASN HA . . 4.500 4.021 3.940 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 39 ASP HB3 1 40 ASN H . . 4.800 3.424 3.292 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 39 ASP HB3 1 40 ASN HA . . 4.500 4.452 4.335 4.520 0.020 2 0 "[ . 1 . 2 . 3]" 1
732 1 40 ASN H 1 41 GLN H . . 3.800 2.687 2.314 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 40 ASN HA 1 40 ASN HB2 . . 2.900 2.550 2.482 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 40 ASN HA 1 40 ASN QB . . 2.660 2.403 2.363 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 40 ASN HA 1 40 ASN HB3 . . 2.900 2.948 2.774 2.971 0.071 28 0 "[ . 1 . 2 . 3]" 1
736 1 40 ASN HA 1 41 GLN H . . 3.500 3.129 3.007 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 40 ASN QB 1 42 GLU H . . 5.840 3.979 3.552 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 40 ASN QB 1 42 GLU QB . . 4.870 2.859 2.422 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 40 ASN HB2 1 42 GLU H . . 6.000 5.407 4.698 5.844 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 40 ASN HB2 1 42 GLU HB2 . . 5.750 4.975 4.129 5.732 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 40 ASN HB2 1 42 GLU HB3 . . 5.750 5.102 4.369 5.774 0.024 19 0 "[ . 1 . 2 . 3]" 1
742 1 40 ASN HB3 1 42 GLU H . . 6.000 4.099 3.677 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 40 ASN HB3 1 42 GLU HB2 . . 5.750 3.256 2.466 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 40 ASN HB3 1 42 GLU HB3 . . 5.750 3.471 2.989 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 41 GLN H 1 41 GLN HA . . 2.800 2.191 2.117 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 41 GLN H 1 41 GLN HB2 . . 3.800 2.731 2.465 3.811 0.011 25 0 "[ . 1 . 2 . 3]" 1
747 1 41 GLN H 1 41 GLN HB3 . . 3.900 3.752 3.354 3.911 0.011 7 0 "[ . 1 . 2 . 3]" 1
748 1 41 GLN H 1 41 GLN HG2 . . 4.600 4.261 2.363 4.679 0.079 26 0 "[ . 1 . 2 . 3]" 1
749 1 41 GLN H 1 41 GLN QG . . 4.420 3.152 2.269 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 41 GLN H 1 41 GLN HG3 . . 4.600 3.281 2.732 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 41 GLN HA 1 41 GLN HB2 . . 2.900 2.799 2.496 2.964 0.064 27 0 "[ . 1 . 2 . 3]" 1
752 1 41 GLN HA 1 41 GLN HB3 . . 3.000 2.918 2.199 3.032 0.032 10 0 "[ . 1 . 2 . 3]" 1
753 1 41 GLN HA 1 41 GLN HG2 . . 3.500 2.737 2.249 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 41 GLN HA 1 41 GLN QG . . 3.290 2.164 2.032 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 41 GLN HA 1 41 GLN HG3 . . 3.500 2.340 2.069 3.568 0.068 25 0 "[ . 1 . 2 . 3]" 1
756 1 41 GLN HA 1 42 GLU H . . 2.400 2.382 2.230 2.443 0.043 4 0 "[ . 1 . 2 . 3]" 1
757 1 41 GLN HA 1 42 GLU QB . . 5.080 4.389 4.163 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 41 GLN HB2 1 41 GLN HG2 . . 3.000 2.999 2.750 3.025 0.025 13 0 "[ . 1 . 2 . 3]" 1
759 1 41 GLN HB2 1 41 GLN HG3 . . 3.000 2.540 2.173 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 41 GLN QG 1 42 GLU H . . 4.780 4.155 3.889 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 42 GLU H 1 42 GLU HB2 . . 3.600 3.111 2.616 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 42 GLU H 1 42 GLU QB . . 3.290 2.669 2.323 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 42 GLU H 1 42 GLU HB3 . . 3.600 2.992 2.382 3.612 0.012 19 0 "[ . 1 . 2 . 3]" 1
764 1 42 GLU H 1 42 GLU HG2 . . 5.100 4.641 4.106 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 42 GLU H 1 42 GLU HG3 . . 5.500 4.619 3.871 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 42 GLU H 1 43 ALA H . . 5.000 4.325 4.143 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 42 GLU HA 1 42 GLU HG2 . . 3.900 2.994 2.278 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 42 GLU HA 1 42 GLU HG3 . . 3.500 2.495 2.244 3.506 0.006 17 0 "[ . 1 . 2 . 3]" 1
769 1 42 GLU HA 1 43 ALA H . . 2.400 2.194 2.051 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 42 GLU HA 1 43 ALA MB . . 5.400 3.848 3.656 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 42 GLU QB 1 43 ALA H . . 4.110 3.508 2.959 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 42 GLU HB2 1 43 ALA H . . 4.300 4.173 3.998 4.306 0.006 26 0 "[ . 1 . 2 . 3]" 1
773 1 42 GLU HB3 1 43 ALA H . . 4.300 3.817 3.021 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 42 GLU HG2 1 43 ALA H . . 5.100 2.889 2.241 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 42 GLU HG3 1 43 ALA H . . 4.700 3.063 2.394 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 42 GLU HG3 1 43 ALA MB . . 7.000 4.942 4.292 5.857 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 43 ALA H 1 43 ALA MB . . 3.400 2.429 2.282 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 43 ALA H 1 44 THR H . . 5.200 4.279 4.013 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 43 ALA HA 1 44 THR H . . 2.500 2.131 2.063 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 43 ALA MB 1 45 ILE MD . . 6.800 2.799 2.064 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 44 THR H 1 44 THR HB . . 3.300 2.459 2.286 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 44 THR H 1 44 THR MG . . 4.500 3.752 3.708 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 44 THR H 1 45 ILE H . . 4.700 4.319 3.809 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 44 THR H 1 45 ILE HA . . 5.200 4.979 4.524 5.203 0.003 9 0 "[ . 1 . 2 . 3]" 1
785 1 44 THR H 1 45 ILE QG . . 6.280 4.311 3.562 5.042 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 44 THR HA 1 45 ILE H . . 2.500 2.266 2.172 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 44 THR HA 1 45 ILE QG . . 5.480 4.219 3.643 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 44 THR MG 1 46 VAL MG1 . . 5.900 4.080 3.813 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 45 ILE H 1 45 ILE HB . . 3.200 2.613 2.164 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 45 ILE H 1 45 ILE HG12 . . 4.400 3.329 2.401 4.435 0.035 12 0 "[ . 1 . 2 . 3]" 1
791 1 45 ILE H 1 45 ILE QG . . 4.160 3.082 2.374 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 45 ILE H 1 45 ILE HG13 . . 4.400 4.027 3.733 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 45 ILE HA 1 45 ILE QG . . 3.990 2.778 2.317 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 45 ILE HA 1 46 VAL H . . 3.000 2.217 2.144 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 45 ILE HB 1 46 VAL H . . 5.000 4.351 4.114 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 45 ILE MD 1 57 MET HB2 . . 7.000 5.134 4.354 5.751 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 45 ILE HG12 1 46 VAL H . . 6.000 5.252 4.840 5.582 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 45 ILE HG13 1 46 VAL H . . 6.000 5.340 4.256 5.901 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 45 ILE MG 1 47 TYR HA . . 7.000 4.586 4.182 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 45 ILE MG 1 47 TYR HB2 . . 6.800 4.194 3.620 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 45 ILE MG 1 47 TYR QB . . 6.080 2.738 2.248 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 45 ILE MG 1 47 TYR HB3 . . 6.800 2.776 2.270 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 46 VAL H 1 46 VAL HB . . 3.200 2.807 2.720 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 46 VAL H 1 46 VAL MG2 . . 3.700 2.376 2.230 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 46 VAL HA 1 46 VAL MG2 . . 3.700 2.529 2.382 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 46 VAL HA 1 47 TYR H . . 2.600 2.196 2.136 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 46 VAL HA 1 47 TYR QD . . 7.000 3.780 3.239 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 46 VAL HB 1 47 TYR H . . 5.500 4.290 4.128 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 46 VAL MG1 1 47 TYR H . . 4.700 3.089 2.821 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 46 VAL MG1 1 47 TYR HA . . 7.000 4.217 4.012 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 46 VAL MG2 1 47 TYR H . . 5.900 4.361 4.270 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 47 TYR H 1 47 TYR QE . . 7.000 4.434 4.101 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 47 TYR H 1 48 GLN H . . 5.600 4.471 4.414 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 47 TYR HA 1 48 GLN H . . 2.600 2.362 2.247 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 47 TYR QB 1 48 GLN H . . 3.550 2.354 2.171 2.525 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 47 TYR QB 1 52 ILE MG . . 5.820 2.312 2.014 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 47 TYR HB2 1 48 GLN H . . 3.900 2.378 2.187 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 47 TYR HB2 1 52 ILE MG . . 6.500 2.358 2.059 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 47 TYR HB3 1 48 GLN H . . 3.900 3.794 3.631 3.915 0.015 11 0 "[ . 1 . 2 . 3]" 1
820 1 47 TYR HB3 1 52 ILE MG . . 6.500 3.339 2.855 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 47 TYR QD 1 48 GLN H . . 7.900 2.845 2.516 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 47 TYR QD 1 49 PRO HA . . 5.300 3.298 2.875 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 47 TYR QE 1 49 PRO HA . . 5.100 2.287 2.138 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 47 TYR QE 1 49 PRO HB3 . . 6.100 3.222 2.751 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 47 TYR QE 1 49 PRO QG . . 8.780 4.774 3.678 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 47 TYR QE 1 54 VAL H . . 8.000 3.656 2.826 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 48 GLN H 1 48 GLN HB2 . . 3.500 2.510 2.191 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 48 GLN H 1 48 GLN HB3 . . 3.500 2.577 2.310 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 48 GLN H 1 48 GLN HG2 . . 4.700 4.486 4.322 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 48 GLN H 1 48 GLN QG . . 4.520 3.959 3.617 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 48 GLN H 1 48 GLN HG3 . . 4.700 4.411 3.862 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 48 GLN H 1 49 PRO QD . . 6.180 4.200 4.064 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 48 GLN H 1 52 ILE H . . 6.000 4.386 4.094 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 48 GLN H 1 52 ILE MG . . 4.800 3.430 3.120 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 48 GLN HA 1 48 GLN HG2 . . 3.600 3.069 2.154 3.637 0.037 17 0 "[ . 1 . 2 . 3]" 1
836 1 48 GLN HA 1 48 GLN QG . . 3.290 2.262 2.086 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 48 GLN HA 1 48 GLN HG3 . . 3.600 2.443 2.170 3.621 0.021 23 0 "[ . 1 . 2 . 3]" 1
838 1 48 GLN HA 1 49 PRO HD2 . . 2.700 2.226 2.123 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 48 GLN HA 1 49 PRO HD3 . . 2.700 2.490 2.307 2.708 0.008 2 0 "[ . 1 . 2 . 3]" 1
840 1 48 GLN QB 1 51 LEU H . . 4.720 3.162 2.692 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 48 GLN QB 1 51 LEU HB2 . . 5.530 2.793 2.605 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 48 GLN QB 1 51 LEU QD . . 8.370 2.252 1.879 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 48 GLN HB2 1 51 LEU H . . 4.900 4.866 4.458 4.943 0.043 13 0 "[ . 1 . 2 . 3]" 1
844 1 48 GLN HB2 1 51 LEU HB2 . . 5.800 4.361 3.539 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 48 GLN HB2 1 51 LEU HB3 . . 6.000 5.838 4.720 6.028 0.028 2 0 "[ . 1 . 2 . 3]" 1
846 1 48 GLN HB2 1 51 LEU MD1 . . 10.040 3.237 2.312 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 48 GLN HB2 1 51 LEU MD2 . . 10.040 5.429 2.510 6.082 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 48 GLN HB3 1 51 LEU H . . 4.900 3.205 2.714 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 48 GLN HB3 1 51 LEU HB2 . . 5.800 2.831 2.634 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 48 GLN HB3 1 51 LEU HB3 . . 6.000 4.429 4.226 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 48 GLN HB3 1 51 LEU MD1 . . 10.040 2.328 2.065 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 48 GLN HB3 1 51 LEU MD2 . . 10.040 4.418 2.256 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 48 GLN QG 1 51 LEU HB2 . . 6.880 4.254 3.515 5.053 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 48 GLN QG 1 51 LEU HB3 . . 6.880 5.577 4.900 6.173 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 48 GLN QG 1 51 LEU QD . . 8.040 2.999 2.034 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 48 GLN HG2 1 51 LEU MD1 . . 10.140 3.282 2.089 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 48 GLN HG2 1 51 LEU MD2 . . 10.140 4.893 4.098 6.270 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 48 GLN HG3 1 51 LEU MD1 . . 10.140 4.014 2.394 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 48 GLN HG3 1 51 LEU MD2 . . 10.140 5.782 3.590 6.504 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 49 PRO HA 1 51 LEU H . . 5.500 4.147 3.543 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 49 PRO HA 1 52 ILE H . . 4.200 4.144 3.759 4.230 0.030 26 0 "[ . 1 . 2 . 3]" 1
862 1 49 PRO HA 1 52 ILE MG . . 7.000 4.675 4.093 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 50 HIS H 1 50 HIS HA . . 2.800 2.783 2.217 2.883 0.083 27 0 "[ . 1 . 2 . 3]" 1
864 1 50 HIS H 1 51 LEU H . . 4.700 2.111 1.857 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 50 HIS HA 1 50 HIS HB2 . . 2.900 2.899 2.361 3.041 0.141 16 0 "[ . 1 . 2 . 3]" 1
866 1 50 HIS HA 1 50 HIS QB . . 2.660 2.520 2.282 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 50 HIS HA 1 50 HIS HB3 . . 2.900 2.822 2.677 3.047 0.147 8 0 "[ . 1 . 2 . 3]" 1
868 1 50 HIS HA 1 51 LEU H . . 3.600 3.592 3.515 3.661 0.061 20 0 "[ . 1 . 2 . 3]" 1
869 1 51 LEU H 1 51 LEU HB2 . . 3.300 2.365 2.287 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 51 LEU H 1 51 LEU HB3 . . 3.900 3.605 3.546 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 51 LEU H 1 51 LEU HG . . 4.200 2.711 2.195 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 51 LEU H 1 52 ILE H . . 2.800 2.569 2.372 2.809 0.009 23 0 "[ . 1 . 2 . 3]" 1
873 1 51 LEU HA 1 51 LEU HB2 . . 2.900 2.968 2.961 2.977 0.077 11 0 "[ . 1 . 2 . 3]" 1
874 1 51 LEU HA 1 51 LEU HB3 . . 2.800 2.472 2.433 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 51 LEU HA 1 51 LEU HG . . 2.900 2.763 2.265 2.963 0.063 20 0 "[ . 1 . 2 . 3]" 1
876 1 51 LEU HB2 1 52 ILE HG12 . . 6.000 6.034 5.983 6.058 0.058 29 0 "[ . 1 . 2 . 3]" 1
877 1 51 LEU HB3 1 52 ILE H . . 4.400 3.573 3.251 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 51 LEU HB3 1 52 ILE HG12 . . 6.000 5.956 5.728 6.033 0.033 27 0 "[ . 1 . 2 . 3]" 1
879 1 51 LEU QD 1 52 ILE H . . 8.570 4.072 3.814 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 52 ILE H 1 52 ILE HB . . 3.800 2.745 2.502 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 52 ILE H 1 52 ILE HG13 . . 4.400 4.487 4.397 4.506 0.106 20 0 "[ . 1 . 2 . 3]" 1
882 1 52 ILE H 1 52 ILE MG . . 3.900 2.669 2.499 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 52 ILE H 1 53 SER H . . 5.500 4.384 4.327 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 52 ILE HA 1 52 ILE HG12 . . 3.800 3.491 2.223 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 52 ILE HA 1 52 ILE HG13 . . 3.400 2.309 2.168 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 52 ILE HA 1 53 SER H . . 2.700 2.545 2.293 2.713 0.013 18 0 "[ . 1 . 2 . 3]" 1
887 1 52 ILE MD 1 56 GLU HB2 . . 6.400 3.914 3.217 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 52 ILE MD 1 56 GLU HG2 . . 6.900 3.946 2.671 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 52 ILE MD 1 56 GLU QG . . 6.500 2.763 2.205 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 52 ILE MD 1 56 GLU HG3 . . 6.900 3.110 2.222 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 52 ILE HG12 1 52 ILE MG . . 3.500 2.226 2.153 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 52 ILE HG12 1 53 SER H . . 4.100 3.578 2.238 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 52 ILE HG12 1 56 GLU HB2 . . 4.500 3.671 2.310 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 52 ILE HG12 1 57 MET QG . . 5.980 4.249 3.567 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 52 ILE HG13 1 52 ILE MG . . 3.500 2.657 2.471 3.058 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 52 ILE HG13 1 53 SER H . . 4.000 2.354 2.014 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 52 ILE HG13 1 56 GLU HB2 . . 4.400 2.710 2.371 4.408 0.008 18 0 "[ . 1 . 2 . 3]" 1
898 1 52 ILE HG13 1 57 MET QG . . 6.380 4.572 3.828 5.702 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 52 ILE MG 1 53 SER H . . 4.800 2.696 2.312 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 52 ILE MG 1 56 GLU HB2 . . 4.700 3.742 3.316 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 52 ILE MG 1 57 MET H . . 4.600 3.868 3.848 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 53 SER H 1 53 SER HB2 . . 4.000 3.756 3.576 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 53 SER H 1 53 SER HB3 . . 3.600 3.055 2.709 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 53 SER H 1 56 GLU H . . 3.800 3.422 3.252 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 53 SER H 1 56 GLU HB2 . . 4.500 2.342 2.075 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 53 SER H 1 56 GLU HB3 . . 3.600 3.435 2.846 3.654 0.054 10 0 "[ . 1 . 2 . 3]" 1
907 1 53 SER H 1 56 GLU QG . . 6.680 3.634 2.860 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 53 SER HA 1 53 SER HB2 . . 2.900 2.457 2.374 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 53 SER HA 1 53 SER HB3 . . 2.600 2.478 2.395 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 53 SER HA 1 54 VAL H . . 2.800 2.333 2.250 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 53 SER HA 1 55 GLU H . . 5.100 4.268 3.973 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 53 SER HA 1 56 GLU H . . 6.000 4.791 4.530 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 53 SER HB2 1 54 VAL H . . 2.900 2.634 2.389 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 53 SER HB2 1 55 GLU H . . 3.800 2.831 2.373 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 53 SER HB2 1 56 GLU H . . 5.400 3.988 3.481 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 53 SER HB3 1 54 VAL H . . 4.100 3.904 3.800 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 53 SER HB3 1 55 GLU H . . 4.500 4.334 3.831 4.511 0.011 15 0 "[ . 1 . 2 . 3]" 1
918 1 54 VAL H 1 54 VAL HB . . 3.100 2.443 2.262 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 54 VAL H 1 54 VAL MG1 . . 4.700 3.763 3.716 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 54 VAL H 1 54 VAL MG2 . . 3.900 2.264 2.091 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 54 VAL H 1 55 GLU H . . 3.100 2.941 2.707 3.103 0.003 23 0 "[ . 1 . 2 . 3]" 1
922 1 54 VAL H 1 56 GLU H . . 4.900 4.626 4.331 4.910 0.010 30 0 "[ . 1 . 2 . 3]" 1
923 1 54 VAL HA 1 54 VAL HB . . 3.000 3.025 3.007 3.037 0.037 13 0 "[ . 1 . 2 . 3]" 1
924 1 54 VAL HA 1 54 VAL MG1 . . 3.400 2.494 2.263 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 54 VAL HA 1 56 GLU H . . 6.000 4.656 4.198 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 54 VAL HA 1 57 MET H . . 4.300 3.649 3.286 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 54 VAL HB 1 55 GLU H . . 3.700 2.714 2.541 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 54 VAL MG1 1 55 GLU H . . 5.000 3.255 2.909 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 54 VAL MG1 1 56 GLU H . . 6.200 5.030 4.773 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 54 VAL MG1 1 57 MET QG . . 5.880 4.310 3.937 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 54 VAL MG1 1 58 LYS H . . 5.800 3.585 3.339 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 54 VAL MG1 1 58 LYS HB2 . . 6.000 3.857 3.463 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 54 VAL MG2 1 55 GLU H . . 6.000 4.048 3.905 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 54 VAL MG2 1 70 VAL HA . . 7.000 5.849 5.656 5.908 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 55 GLU H 1 55 GLU HB2 . . 2.900 2.410 2.137 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 55 GLU H 1 55 GLU HB3 . . 2.900 2.664 2.436 2.956 0.056 16 0 "[ . 1 . 2 . 3]" 1
937 1 55 GLU H 1 55 GLU HG2 . . 5.000 4.470 4.021 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 55 GLU H 1 55 GLU QG . . 4.680 3.974 3.725 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 55 GLU H 1 55 GLU HG3 . . 5.000 4.471 4.369 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 55 GLU H 1 56 GLU H . . 3.400 2.836 2.633 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 55 GLU H 1 57 MET H . . 5.100 4.359 4.077 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 55 GLU H 1 58 LYS HB3 . . 6.000 5.120 4.931 5.227 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 55 GLU HA 1 55 GLU HB2 . . 2.600 2.513 2.398 2.647 0.047 16 0 "[ . 1 . 2 . 3]" 1
944 1 55 GLU HA 1 55 GLU HB3 . . 2.900 2.981 2.931 2.995 0.095 20 0 "[ . 1 . 2 . 3]" 1
945 1 55 GLU HA 1 55 GLU QG . . 3.720 2.386 2.172 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 55 GLU HA 1 58 LYS H . . 4.400 3.413 3.262 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 55 GLU HA 1 58 LYS HB3 . . 2.800 2.855 2.825 2.882 0.082 14 0 "[ . 1 . 2 . 3]" 1
948 1 55 GLU HA 1 59 LYS H . . 4.800 3.347 3.116 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 55 GLU HB2 1 55 GLU HG2 . . 2.800 2.664 2.422 2.874 0.074 25 0 "[ . 1 . 2 . 3]" 1
950 1 55 GLU HB2 1 55 GLU HG3 . . 2.800 2.614 2.248 2.932 0.132 20 0 "[ . 1 . 2 . 3]" 1
951 1 55 GLU HB2 1 56 GLU H . . 4.600 3.936 3.532 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 55 GLU HB3 1 55 GLU HG2 . . 3.000 2.634 2.213 3.045 0.045 16 0 "[ . 1 . 2 . 3]" 1
953 1 55 GLU HB3 1 55 GLU HG3 . . 3.000 2.691 2.446 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 55 GLU HB3 1 56 GLU H . . 3.600 2.745 2.465 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 56 GLU H 1 56 GLU HB2 . . 3.100 2.122 2.060 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 56 GLU H 1 56 GLU HB3 . . 3.400 3.282 2.767 3.450 0.050 28 0 "[ . 1 . 2 . 3]" 1
957 1 56 GLU H 1 56 GLU HG2 . . 4.400 3.671 2.646 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 56 GLU H 1 56 GLU HG3 . . 4.400 3.957 2.488 4.425 0.025 9 0 "[ . 1 . 2 . 3]" 1
959 1 56 GLU H 1 57 MET H . . 3.400 2.825 2.484 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 56 GLU H 1 58 LYS H . . 6.000 4.449 4.028 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 56 GLU H 1 59 LYS HB2 . . 6.000 4.943 4.468 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 56 GLU H 1 60 GLN H . . 5.500 5.635 5.599 5.674 0.174 3 0 "[ . 1 . 2 . 3]" 1
963 1 56 GLU HA 1 56 GLU QG . . 3.860 2.339 2.107 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 56 GLU HA 1 58 LYS H . . 5.500 4.886 4.658 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 56 GLU HA 1 60 GLN H . . 5.000 3.597 3.420 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 56 GLU HB2 1 56 GLU HG2 . . 2.800 2.607 2.466 2.928 0.128 28 0 "[ . 1 . 2 . 3]" 1
967 1 56 GLU HB2 1 56 GLU HG3 . . 2.800 2.489 2.326 2.921 0.121 11 0 "[ . 1 . 2 . 3]" 1
968 1 56 GLU HB2 1 57 MET H . . 3.600 2.991 2.588 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 56 GLU HB3 1 56 GLU QG . . 2.700 2.342 2.143 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 56 GLU HB3 1 57 MET H . . 3.500 2.824 2.475 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 57 MET H 1 57 MET HB2 . . 3.000 2.683 2.381 3.016 0.016 24 0 "[ . 1 . 2 . 3]" 1
972 1 57 MET H 1 57 MET HB3 . . 3.400 3.502 3.474 3.523 0.123 7 0 "[ . 1 . 2 . 3]" 1
973 1 57 MET H 1 57 MET HG2 . . 4.400 2.191 1.966 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 57 MET H 1 57 MET QG . . 3.970 1.969 1.860 2.113 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 57 MET H 1 57 MET HG3 . . 4.400 2.853 1.965 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 57 MET H 1 58 LYS H . . 3.200 3.112 3.002 3.203 0.003 4 0 "[ . 1 . 2 . 3]" 1
977 1 57 MET HA 1 57 MET HB2 . . 2.900 2.964 2.942 2.987 0.087 16 0 "[ . 1 . 2 . 3]" 1
978 1 57 MET HA 1 57 MET HB3 . . 2.700 2.295 2.178 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 57 MET HA 1 57 MET HG2 . . 3.700 2.921 2.527 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 57 MET HA 1 57 MET QG . . 3.250 2.793 2.440 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 57 MET HA 1 57 MET HG3 . . 3.700 3.605 2.959 3.735 0.035 29 0 "[ . 1 . 2 . 3]" 1
982 1 57 MET HA 1 60 GLN H . . 4.400 4.038 3.867 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 57 MET HA 1 60 GLN HB2 . . 3.400 3.195 2.959 3.412 0.012 28 0 "[ . 1 . 2 . 3]" 1
984 1 57 MET HB2 1 58 LYS H . . 3.500 2.337 2.174 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 57 MET QG 1 58 LYS H . . 6.880 3.839 3.416 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 58 LYS H 1 58 LYS HB2 . . 3.000 2.984 2.824 3.032 0.032 23 0 "[ . 1 . 2 . 3]" 1
987 1 58 LYS H 1 58 LYS HB3 . . 3.100 2.243 2.168 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 58 LYS H 1 58 LYS HG2 . . 5.000 4.341 4.041 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 58 LYS H 1 58 LYS QG . . 4.770 3.976 3.788 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 58 LYS H 1 58 LYS HG3 . . 5.000 4.624 4.436 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 58 LYS H 1 59 LYS H . . 3.300 2.934 2.813 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 58 LYS H 1 60 GLN H . . 4.900 4.317 4.208 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 58 LYS HA 1 58 LYS HB2 . . 3.000 2.078 2.007 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 58 LYS HA 1 58 LYS HG2 . . 3.500 3.244 2.709 3.562 0.062 4 0 "[ . 1 . 2 . 3]" 1
995 1 58 LYS HA 1 58 LYS QG . . 3.290 2.741 2.575 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 58 LYS HA 1 58 LYS HG3 . . 3.500 3.129 2.643 3.583 0.083 16 0 "[ . 1 . 2 . 3]" 1
997 1 58 LYS HA 1 61 ILE H . . 4.500 3.213 3.106 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 58 LYS HA 1 61 ILE MD . . 6.900 3.353 3.002 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 58 LYS HA 1 62 GLU H . . 5.400 3.060 2.950 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 58 LYS HA 1 68 ALA MB . . 5.400 3.899 3.613 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 58 LYS HB2 1 62 GLU H . . 4.400 4.555 4.518 4.583 0.183 10 0 "[ . 1 . 2 . 3]" 1
1002 1 58 LYS HB3 1 60 GLN H . . 5.800 5.358 5.210 5.511 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 58 LYS HB3 1 70 VAL MG1 . . 6.900 3.588 2.472 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 58 LYS HB3 1 70 VAL MG2 . . 6.700 4.820 3.154 5.588 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 58 LYS QG 1 59 LYS H . . 6.880 3.048 2.417 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 58 LYS QG 1 60 GLN H . . 6.880 5.053 4.651 5.617 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 58 LYS QG 1 62 GLU QB . . 5.680 2.262 2.125 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 58 LYS HG2 1 62 GLU HB2 . . 7.050 2.800 2.180 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 58 LYS HG2 1 62 GLU HB3 . . 7.050 4.001 3.396 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 58 LYS HG3 1 62 GLU HB2 . . 7.050 2.953 2.223 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 58 LYS HG3 1 62 GLU HB3 . . 7.050 4.389 3.648 5.554 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 59 LYS H 1 59 LYS HB2 . . 2.600 2.149 2.000 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 59 LYS H 1 59 LYS HB3 . . 2.900 2.819 2.651 2.942 0.042 7 0 "[ . 1 . 2 . 3]" 1
1014 1 59 LYS H 1 59 LYS HG2 . . 4.800 4.269 4.026 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 59 LYS H 1 59 LYS QG . . 4.330 3.828 3.708 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 59 LYS H 1 59 LYS HG3 . . 4.800 4.341 4.195 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 59 LYS H 1 60 GLN H . . 3.300 2.937 2.646 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 59 LYS H 1 61 ILE H . . 4.400 4.288 4.083 4.412 0.012 28 0 "[ . 1 . 2 . 3]" 1
1019 1 59 LYS H 1 62 GLU QB . . 5.480 4.489 4.189 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 59 LYS HA 1 59 LYS HB2 . . 3.000 2.590 2.474 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 59 LYS HA 1 59 LYS HB3 . . 3.000 3.026 3.003 3.037 0.037 20 0 "[ . 1 . 2 . 3]" 1
1022 1 59 LYS HA 1 59 LYS HG2 . . 3.800 2.691 2.232 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 59 LYS HA 1 59 LYS QG . . 3.450 2.359 2.202 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 59 LYS HA 1 59 LYS HG3 . . 3.800 3.211 2.319 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 59 LYS HA 1 62 GLU H . . 4.400 4.252 4.068 4.422 0.022 25 0 "[ . 1 . 2 . 3]" 1
1026 1 59 LYS HB2 1 60 GLN H . . 3.600 3.606 3.331 3.678 0.078 20 0 "[ . 1 . 2 . 3]" 1
1027 1 59 LYS QD 1 63 ALA MB . . 7.000 3.646 2.694 5.093 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 60 GLN H 1 60 GLN HB2 . . 3.100 2.378 2.264 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 60 GLN H 1 60 GLN HB3 . . 3.600 3.608 3.579 3.632 0.032 6 0 "[ . 1 . 2 . 3]" 1
1030 1 60 GLN H 1 60 GLN HG2 . . 4.900 2.672 2.214 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 60 GLN H 1 60 GLN QG . . 4.170 2.547 2.186 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 60 GLN H 1 60 GLN HG3 . . 4.900 3.595 2.463 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 60 GLN H 1 61 ILE H . . 3.300 2.776 2.690 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 60 GLN H 1 61 ILE HG12 . . 6.000 6.052 6.031 6.072 0.072 15 0 "[ . 1 . 2 . 3]" 1
1035 1 60 GLN H 1 62 GLU H . . 5.300 4.809 4.720 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 60 GLN HA 1 60 GLN HB3 . . 3.000 2.529 2.486 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 60 GLN HA 1 60 GLN HG2 . . 3.700 3.010 2.294 3.719 0.019 27 0 "[ . 1 . 2 . 3]" 1
1038 1 60 GLN HA 1 60 GLN QG . . 3.490 2.732 2.193 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 60 GLN HA 1 60 GLN HG3 . . 3.700 3.497 2.216 3.734 0.034 16 0 "[ . 1 . 2 . 3]" 1
1040 1 60 GLN HA 1 63 ALA H . . 4.500 3.801 3.527 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 60 GLN HA 1 63 ALA MB . . 3.400 2.707 2.494 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 60 GLN HB2 1 63 ALA H . . 5.500 5.549 5.523 5.572 0.072 27 0 "[ . 1 . 2 . 3]" 1
1043 1 60 GLN HB3 1 61 ILE H . . 4.200 3.546 3.399 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 60 GLN HB3 1 63 ALA MB . . 6.100 4.518 4.248 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 61 ILE H 1 61 ILE HB . . 3.000 2.404 2.351 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 61 ILE H 1 61 ILE MD . . 4.800 3.595 3.431 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 61 ILE H 1 61 ILE HG12 . . 4.300 3.548 3.390 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 61 ILE H 1 61 ILE HG13 . . 3.500 2.325 2.162 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 61 ILE H 1 62 GLU H . . 3.300 2.943 2.824 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 61 ILE H 1 63 ALA H . . 5.000 3.887 3.780 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 61 ILE H 1 68 ALA MB . . 7.000 5.673 5.375 5.851 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 61 ILE HA 1 61 ILE MD . . 4.400 3.706 3.684 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 61 ILE HA 1 61 ILE HG12 . . 3.100 2.288 2.242 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 61 ILE HA 1 61 ILE HG13 . . 3.100 2.814 2.731 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 61 ILE HA 1 61 ILE MG . . 3.600 2.420 2.370 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 61 ILE HA 1 64 MET H . . 4.600 3.590 3.492 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 61 ILE HA 1 64 MET HB2 . . 3.900 3.911 3.809 3.945 0.045 18 0 "[ . 1 . 2 . 3]" 1
1058 1 61 ILE HA 1 64 MET ME . . 6.100 3.829 3.019 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 61 ILE HB 1 62 GLU H . . 3.700 2.455 2.318 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 61 ILE HB 1 68 ALA MB . . 6.700 3.799 3.497 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 61 ILE MD 1 62 GLU H . . 6.900 4.494 4.328 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 61 ILE MD 1 68 ALA MB . . 6.800 3.830 3.343 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 61 ILE MG 1 62 GLU H . . 5.700 2.927 2.737 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 61 ILE MG 1 64 MET H . . 7.000 4.422 4.276 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 61 ILE MG 1 64 MET HG2 . . 4.900 4.095 4.083 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 61 ILE MG 1 66 PHE H . . 6.000 4.250 3.954 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 61 ILE MG 1 66 PHE HB2 . . 5.100 2.938 2.461 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 61 ILE MG 1 66 PHE HB3 . . 6.600 4.019 3.531 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 62 GLU H 1 62 GLU HB2 . . 3.100 1.986 1.970 2.017 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 62 GLU H 1 62 GLU HB3 . . 3.100 3.162 3.115 3.191 0.091 29 0 "[ . 1 . 2 . 3]" 1
1071 1 62 GLU H 1 62 GLU HG2 . . 4.200 4.242 4.214 4.272 0.072 15 0 "[ . 1 . 2 . 3]" 1
1072 1 62 GLU H 1 62 GLU HG3 . . 3.500 3.411 3.297 3.524 0.024 21 0 "[ . 1 . 2 . 3]" 1
1073 1 62 GLU H 1 63 ALA H . . 3.400 3.008 2.944 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 62 GLU H 1 63 ALA MB . . 5.600 4.678 4.662 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 62 GLU H 1 64 MET H . . 6.000 4.462 4.426 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 62 GLU H 1 68 ALA MB . . 6.100 4.124 3.812 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 62 GLU HA 1 62 GLU HG2 . . 2.700 2.514 2.362 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 62 GLU HA 1 62 GLU HG3 . . 3.200 2.491 2.223 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 62 GLU HA 1 65 GLY H . . 4.300 3.184 2.955 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 62 GLU HA 1 66 PHE H . . 3.500 3.550 3.513 3.572 0.072 16 0 "[ . 1 . 2 . 3]" 1
1081 1 62 GLU HA 1 68 ALA H . . 5.100 4.739 4.270 5.101 0.001 18 0 "[ . 1 . 2 . 3]" 1
1082 1 62 GLU QB 1 63 ALA H . . 4.380 2.862 2.591 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 62 GLU HB2 1 63 ALA MB . . 7.000 5.042 4.874 5.265 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 62 GLU HB3 1 63 ALA MB . . 7.000 4.376 4.020 4.754 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 62 GLU HG2 1 67 PRO HA . . 3.300 2.869 2.322 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 62 GLU HG2 1 68 ALA H . . 4.300 3.994 3.362 4.317 0.017 27 0 "[ . 1 . 2 . 3]" 1
1087 1 62 GLU HG2 1 68 ALA MB . . 6.500 4.879 4.249 5.208 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 62 GLU HG3 1 63 ALA H . . 5.800 5.212 5.104 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 62 GLU HG3 1 67 PRO HA . . 4.500 2.641 2.266 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 62 GLU HG3 1 68 ALA H . . 4.900 2.761 2.195 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 62 GLU HG3 1 68 ALA MB . . 5.600 3.438 2.809 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 63 ALA H 1 63 ALA MB . . 3.400 2.253 2.222 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 63 ALA H 1 64 MET H . . 3.400 2.898 2.778 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 63 ALA H 1 65 GLY H . . 5.000 4.316 4.197 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 63 ALA MB 1 64 MET H . . 3.400 2.842 2.749 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 63 ALA MB 1 64 MET ME . . 8.000 4.501 3.726 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 63 ALA MB 1 64 MET HG2 . . 7.000 3.883 3.618 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 64 MET H 1 64 MET HB2 . . 4.000 2.475 2.275 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 64 MET H 1 64 MET HB3 . . 3.500 3.547 3.514 3.557 0.057 9 0 "[ . 1 . 2 . 3]" 1
1100 1 64 MET H 1 64 MET ME . . 7.000 4.340 3.958 4.783 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 64 MET H 1 64 MET HG2 . . 4.500 2.285 2.167 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 64 MET H 1 64 MET HG3 . . 4.100 3.640 3.463 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 64 MET H 1 65 GLY H . . 3.100 2.621 2.535 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 64 MET H 1 66 PHE H . . 5.200 4.058 3.896 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 64 MET HA 1 64 MET HB3 . . 2.800 2.424 2.386 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 64 MET HA 1 64 MET HG2 . . 3.500 3.249 3.018 3.586 0.086 27 0 "[ . 1 . 2 . 3]" 1
1107 1 64 MET HA 1 64 MET HG3 . . 3.700 3.696 2.727 3.740 0.040 8 0 "[ . 1 . 2 . 3]" 1
1108 1 64 MET HB2 1 66 PHE QD . . 6.800 2.313 2.159 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 64 MET HB3 1 64 MET HG3 . . 2.800 2.375 2.293 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 64 MET HB3 1 65 GLY H . . 6.000 3.706 3.599 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 64 MET HB3 1 66 PHE QD . . 6.900 3.071 2.782 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 64 MET HG3 1 65 GLY H . . 6.000 4.957 4.835 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 65 GLY H 1 66 PHE H . . 3.000 2.111 1.997 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 65 GLY H 1 66 PHE HB2 . . 4.100 4.149 4.136 4.161 0.061 10 0 "[ . 1 . 2 . 3]" 1
1115 1 66 PHE H 1 66 PHE HB2 . . 3.100 2.402 2.337 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 66 PHE H 1 66 PHE HB3 . . 3.900 3.533 3.507 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 66 PHE H 1 66 PHE HZ . . 5.300 5.332 5.273 5.353 0.053 16 0 "[ . 1 . 2 . 3]" 1
1118 1 66 PHE HA 1 67 PRO HD2 . . 2.800 2.200 2.172 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 66 PHE HA 1 67 PRO HD3 . . 2.800 2.630 2.568 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 66 PHE HB2 1 68 ALA MB . . 7.000 4.319 4.107 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 67 PRO HA 1 68 ALA H . . 2.500 2.275 2.189 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 67 PRO HA 1 68 ALA MB . . 4.900 3.963 3.902 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 67 PRO HB2 1 68 ALA H . . 4.400 3.331 3.069 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 67 PRO HB3 1 68 ALA H . . 4.000 3.979 3.835 4.030 0.030 8 0 "[ . 1 . 2 . 3]" 1
1125 1 68 ALA H 1 68 ALA MB . . 3.400 2.610 2.465 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 68 ALA H 1 69 PHE H . . 5.800 4.352 4.203 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 68 ALA HA 1 69 PHE H . . 2.500 2.170 2.049 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 68 ALA MB 1 69 PHE H . . 3.400 2.872 2.852 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 69 PHE H 1 69 PHE HB2 . . 3.600 2.354 2.217 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 69 PHE H 1 69 PHE HB3 . . 4.100 3.610 3.519 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 69 PHE H 1 69 PHE QE . . 7.000 5.178 4.792 5.514 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 69 PHE HA 1 69 PHE HB2 . . 2.900 2.959 2.939 2.993 0.093 12 0 "[ . 1 . 2 . 3]" 1
1133 1 69 PHE HA 1 69 PHE HB3 . . 2.800 2.548 2.345 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 69 PHE HA 1 70 VAL H . . 2.600 2.343 2.232 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 69 PHE HA 1 71 LYS H . . 5.400 5.401 5.253 5.460 0.060 28 0 "[ . 1 . 2 . 3]" 1
1136 1 69 PHE HB2 1 70 VAL H . . 4.500 4.485 4.399 4.521 0.021 8 0 "[ . 1 . 2 . 3]" 1
1137 1 69 PHE HB3 1 70 VAL H . . 4.300 4.202 4.046 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 70 VAL H 1 70 VAL HB . . 3.100 2.666 2.138 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 70 VAL H 1 70 VAL MG1 . . 4.500 1.995 1.821 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 70 VAL HA 1 70 VAL MG1 . . 3.700 3.156 2.655 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 70 VAL HA 1 70 VAL MG2 . . 3.700 2.318 2.150 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 70 VAL HA 1 71 LYS H . . 2.600 2.253 2.181 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 70 VAL MG2 1 71 LYS H . . 4.700 3.280 3.113 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 70 VAL MG2 1 72 LYS H . . 6.300 3.518 2.949 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 71 LYS H 1 71 LYS HB2 . . 3.900 3.789 2.279 3.976 0.076 14 0 "[ . 1 . 2 . 3]" 1
1146 1 71 LYS H 1 71 LYS QB . . 3.650 3.156 2.253 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 71 LYS H 1 71 LYS HB3 . . 3.900 3.426 2.763 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 71 LYS H 1 71 LYS HG2 . . 4.900 2.708 2.359 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 71 LYS H 1 71 LYS QG . . 4.620 2.579 2.327 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 71 LYS H 1 71 LYS HG3 . . 4.900 3.400 2.886 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 71 LYS H 1 72 LYS H . . 4.000 2.959 2.691 4.137 0.137 21 0 "[ . 1 . 2 . 3]" 1
1152 1 71 LYS HA 1 71 LYS QD . . 4.700 4.039 2.199 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 71 LYS HA 1 71 LYS HG2 . . 3.700 3.551 2.747 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 71 LYS HA 1 71 LYS QG . . 3.490 3.134 2.149 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 71 LYS HA 1 71 LYS HG3 . . 3.700 3.559 2.182 3.734 0.034 14 0 "[ . 1 . 2 . 3]" 1
1156 1 71 LYS HA 1 72 LYS H . . 3.200 2.607 2.322 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 71 LYS QB 1 72 LYS H . . 5.180 3.864 1.918 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 72 LYS HA 1 73 ILE H . . 2.400 2.326 2.214 2.450 0.050 10 0 "[ . 1 . 2 . 3]" 1
1159 1 72 LYS HA 1 73 ILE MD . . 7.000 4.492 2.848 5.858 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 72 LYS QG 1 73 ILE H . . 6.700 3.301 2.043 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 73 ILE H 1 73 ILE HB . . 3.500 2.983 2.317 3.563 0.063 22 0 "[ . 1 . 2 . 3]" 1
1162 1 73 ILE HA 1 73 ILE HG12 . . 4.000 3.544 2.606 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 73 ILE HA 1 73 ILE QG . . 3.650 2.607 2.274 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 73 ILE HA 1 73 ILE HG13 . . 4.000 2.724 2.304 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 73 ILE HA 1 74 GLU H . . 2.900 2.396 2.176 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 73 ILE HB 1 73 ILE MD . . 3.500 2.292 2.147 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 74 GLU H 1 74 GLU HB2 . . 3.700 2.412 2.175 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 74 GLU HA 1 75 GLY H . . 3.200 2.411 2.073 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 75 GLY H 1 76 ARG H . . 6.000 4.078 2.094 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 76 ARG H 1 76 ARG HB2 . . 4.200 3.133 2.169 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 76 ARG H 1 76 ARG QB . . 3.860 2.787 2.148 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 76 ARG H 1 76 ARG HB3 . . 4.200 3.305 2.334 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
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