Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
415926 | 2den RC | 6988 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2den
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 777
_Distance_constraint_stats_list.Viol_count 743
_Distance_constraint_stats_list.Viol_total 2923.039
_Distance_constraint_stats_list.Viol_max 2.589
_Distance_constraint_stats_list.Viol_rms 0.1710
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0376
_Distance_constraint_stats_list.Viol_average_violations_only 0.3934
_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 64 SER 1.636 0.219 8 0 "[ . 1]"
1 65 GLN 10.015 1.228 7 8 "[ * ***+**-]"
1 66 TRP 24.782 1.422 1 10 [+******-**]
1 67 GLN 3.514 0.603 2 1 "[ + . 1]"
1 68 PRO 4.046 1.108 2 2 "[ + . * 1]"
1 69 GLN 11.955 0.661 6 4 "[- .+** 1]"
1 70 LEU 28.619 2.100 2 10 [*+*-******]
1 71 GLN 13.197 1.108 2 3 "[ + -. * 1]"
1 72 GLN 24.453 1.595 3 10 [**+******-]
1 73 LEU 13.221 1.884 3 6 "[* +** -*]"
1 74 ARG 22.218 2.100 2 10 [*+********]
1 75 ASP 2.191 0.475 1 0 "[ . 1]"
1 76 MET 12.315 1.884 3 3 "[* + . *]"
1 77 GLY 1.889 0.548 1 1 "[+ . 1]"
1 78 ILE 8.622 1.270 3 1 "[ + . 1]"
1 79 GLN 13.475 2.455 9 7 "[-** *** +1]"
1 80 ASP 4.659 0.838 4 4 "[ +* -*]"
1 81 ASP 10.620 1.384 4 9 "[ **+***-**]"
1 82 GLU 10.253 2.455 9 7 "[-** *** +1]"
1 83 LEU 57.639 2.094 5 10 [****+***-*]
1 84 SER 16.723 1.950 1 10 [+********-]
1 85 LEU 14.104 1.094 5 10 [****+**-**]
1 86 ARG 13.070 1.092 1 10 [+******-**]
1 87 ALA 7.798 1.555 5 2 "[ +* 1]"
1 88 LEU 41.659 1.555 5 10 [-***+*****]
1 89 GLN 17.513 1.422 1 5 "[+ *.-** 1]"
1 90 ALA 2.599 0.359 8 0 "[ . 1]"
1 91 THR 2.277 0.476 8 0 "[ . 1]"
1 92 GLY 1.558 0.440 9 0 "[ . 1]"
1 93 GLY 4.102 0.890 5 5 "[ * + -**]"
1 94 ASP 9.252 0.566 10 1 "[ . +]"
1 95 ILE 28.445 1.595 3 10 [**+******-]
1 96 GLN 11.111 1.488 8 3 "[ .* + -]"
1 97 ALA 6.435 0.476 8 0 "[ . 1]"
1 98 ALA 8.308 0.791 5 4 "[ -*+ *1]"
1 99 LEU 14.221 2.589 5 9 [**-*+****1]
1 100 GLU 13.016 1.214 5 10 [-***+*****]
1 101 LEU 5.066 0.803 5 2 "[* + 1]"
1 102 ILE 51.202 2.589 5 10 [**-*+*****]
1 103 PHE 5.059 0.825 5 4 "[ -+** 1]"
1 104 ALA 4.095 0.863 7 1 "[ . + 1]"
1 105 GLY 3.232 0.504 7 1 "[ . + 1]"
1 106 GLY 1.597 0.863 7 1 "[ . + 1]"
1 107 ALA 0.124 0.075 4 0 "[ . 1]"
1 108 PRO 0.802 0.589 5 1 "[ + 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 64 SER H 1 64 SER HA 2.900 . 3.900 2.895 2.868 2.924 . 0 0 "[ . 1]" 1
2 1 64 SER H 1 64 SER HB3 2.800 . 3.700 3.185 2.754 3.663 . 0 0 "[ . 1]" 1
3 1 64 SER H 1 65 GLN H 3.600 . 5.200 4.387 4.297 4.477 . 0 0 "[ . 1]" 1
4 1 64 SER H 1 65 GLN QG 4.000 . 6.000 5.598 5.296 5.982 . 0 0 "[ . 1]" 1
5 1 64 SER H 1 67 GLN HB3 3.700 . 5.400 3.192 2.860 3.570 . 0 0 "[ . 1]" 1
6 1 64 SER H 1 68 PRO QG 4.100 . 6.000 4.717 3.104 6.001 0.001 4 0 "[ . 1]" 1
7 1 64 SER HA 1 64 SER HB2 2.200 . 2.800 2.660 2.393 3.019 0.219 8 0 "[ . 1]" 1
8 1 64 SER HA 1 64 SER HB3 2.300 . 2.900 2.768 2.360 3.036 0.136 9 0 "[ . 1]" 1
9 1 64 SER HA 1 65 GLN H 2.700 . 3.600 2.464 2.280 2.766 . 0 0 "[ . 1]" 1
10 1 64 SER HA 1 66 TRP H 4.000 . 6.000 4.524 3.835 5.494 . 0 0 "[ . 1]" 1
11 1 64 SER HB2 1 65 GLN H 3.300 . 4.700 3.473 2.793 3.917 . 0 0 "[ . 1]" 1
12 1 64 SER HB2 1 66 TRP H 3.400 . 4.800 4.186 3.985 4.342 . 0 0 "[ . 1]" 1
13 1 64 SER HB3 1 65 GLN H 3.600 . 5.200 3.168 2.088 3.891 . 0 0 "[ . 1]" 1
14 1 64 SER HB3 1 66 TRP H 3.800 . 5.600 3.597 3.089 4.246 . 0 0 "[ . 1]" 1
15 1 65 GLN H 1 65 GLN HA 3.000 . 4.100 2.864 2.837 2.911 . 0 0 "[ . 1]" 1
16 1 65 GLN H 1 65 GLN HB3 3.100 . 4.300 3.587 3.526 3.617 . 0 0 "[ . 1]" 1
17 1 65 GLN H 1 65 GLN QG 2.700 . 3.600 2.396 2.070 2.820 . 0 0 "[ . 1]" 1
18 1 65 GLN H 1 66 TRP H 3.200 . 4.500 2.641 2.479 2.861 . 0 0 "[ . 1]" 1
19 1 65 GLN H 1 66 TRP HA 4.800 . 6.000 5.197 5.121 5.276 . 0 0 "[ . 1]" 1
20 1 65 GLN H 1 66 TRP QB 4.700 . 6.000 4.799 4.564 5.024 . 0 0 "[ . 1]" 1
21 1 65 GLN H 1 66 TRP HD1 4.200 . 6.000 6.764 6.249 7.228 1.228 7 8 "[ * ***+**-]" 1
22 1 65 GLN H 1 66 TRP HE3 4.600 . 6.000 4.517 3.558 5.525 . 0 0 "[ . 1]" 1
23 1 65 GLN H 1 67 GLN QG 4.600 . 6.000 6.060 5.638 6.299 0.299 10 0 "[ . 1]" 1
24 1 65 GLN H 1 85 LEU QD 4.200 . 6.000 4.997 4.432 5.738 . 0 0 "[ . 1]" 1
25 1 65 GLN HA 1 65 GLN HB2 2.500 . 3.300 3.016 2.996 3.025 . 0 0 "[ . 1]" 1
26 1 65 GLN HA 1 65 GLN HB3 2.300 . 3.000 2.498 2.442 2.611 . 0 0 "[ . 1]" 1
27 1 65 GLN HA 1 65 GLN QG 2.100 . 2.600 2.426 2.308 2.504 . 0 0 "[ . 1]" 1
28 1 65 GLN HA 1 66 TRP H 2.600 . 3.500 3.476 3.337 3.577 0.077 8 0 "[ . 1]" 1
29 1 65 GLN HB3 1 66 TRP H 3.200 . 4.500 3.570 2.728 4.120 . 0 0 "[ . 1]" 1
30 1 65 GLN QG 1 66 TRP H 3.000 . 4.100 4.119 3.914 4.508 0.408 3 0 "[ . 1]" 1
31 1 66 TRP H 1 88 LEU HB2 4.300 . 6.000 5.509 5.265 5.697 . 0 0 "[ . 1]" 1
32 1 66 TRP H 1 66 TRP HA 2.700 . 3.600 2.934 2.908 2.951 . 0 0 "[ . 1]" 1
33 1 66 TRP H 1 66 TRP QB 3.000 . 4.200 2.542 2.440 2.650 . 0 0 "[ . 1]" 1
34 1 66 TRP H 1 66 TRP HD1 3.400 . 4.800 4.660 4.340 5.003 0.203 9 0 "[ . 1]" 1
35 1 66 TRP H 1 66 TRP HE3 3.400 . 4.900 3.148 2.752 3.544 . 0 0 "[ . 1]" 1
36 1 66 TRP H 1 67 GLN H 3.000 . 4.100 2.331 2.165 2.536 . 0 0 "[ . 1]" 1
37 1 66 TRP H 1 67 GLN QB 4.000 . 6.000 3.965 3.717 4.245 . 0 0 "[ . 1]" 1
38 1 66 TRP H 1 69 GLN QB 3.600 . 5.200 5.225 5.069 5.537 0.337 2 0 "[ . 1]" 1
39 1 66 TRP H 1 88 LEU HG 3.900 . 5.800 5.836 5.535 6.017 0.217 9 0 "[ . 1]" 1
40 1 66 TRP H 1 85 LEU MD1 3.700 . 5.500 5.136 4.337 5.751 0.251 7 0 "[ . 1]" 1
41 1 66 TRP H 1 88 LEU HG 4.100 . 6.000 6.189 5.863 6.484 0.484 9 0 "[ . 1]" 1
42 1 66 TRP HA 1 66 TRP QB 2.600 . 3.100 2.349 2.318 2.396 . 0 0 "[ . 1]" 1
43 1 66 TRP HA 1 67 GLN H 3.100 . 4.300 3.190 2.993 3.396 . 0 0 "[ . 1]" 1
44 1 66 TRP HA 1 68 PRO HD2 3.000 . 4.100 3.193 3.008 3.428 . 0 0 "[ . 1]" 1
45 1 66 TRP HA 1 68 PRO HD3 3.300 . 4.700 4.558 4.338 4.829 0.129 2 0 "[ . 1]" 1
46 1 66 TRP HA 1 69 GLN H 3.800 . 5.600 3.321 3.232 3.493 . 0 0 "[ . 1]" 1
47 1 66 TRP HA 1 69 GLN HA 3.200 . 6.000 5.346 5.248 5.549 . 0 0 "[ . 1]" 1
48 1 66 TRP HA 1 69 GLN QB 3.200 . 4.500 2.818 2.715 2.992 . 0 0 "[ . 1]" 1
49 1 66 TRP HA 1 70 LEU H 4.500 . 6.000 4.569 4.363 4.971 . 0 0 "[ . 1]" 1
50 1 66 TRP HA 1 85 LEU MD2 4.400 . 6.000 4.460 4.289 4.578 . 0 0 "[ . 1]" 1
51 1 66 TRP HA 1 88 LEU HB2 4.600 . 6.000 5.806 5.290 6.087 0.087 7 0 "[ . 1]" 1
52 1 66 TRP HA 1 88 LEU QB 3.400 . 6.000 4.581 4.022 4.834 . 0 0 "[ . 1]" 1
53 1 66 TRP HA 1 88 LEU HG 3.400 . 4.800 4.336 3.965 4.662 . 0 0 "[ . 1]" 1
54 1 66 TRP QB 1 67 GLN H 3.900 . 5.600 3.503 3.170 3.713 . 0 0 "[ . 1]" 1
55 1 66 TRP QB 1 68 PRO HD2 3.700 . 5.400 4.719 4.649 4.849 . 0 0 "[ . 1]" 1
56 1 66 TRP QB 1 69 GLN QB 3.500 . 4.300 2.787 2.451 3.487 . 0 0 "[ . 1]" 1
57 1 66 TRP QB 1 69 GLN HG2 3.600 . 5.200 4.127 3.619 5.022 . 0 0 "[ . 1]" 1
58 1 66 TRP QB 1 69 GLN HG3 3.600 . 5.200 4.659 3.736 5.348 0.148 9 0 "[ . 1]" 1
59 1 66 TRP QB 1 70 LEU H 4.200 . 5.600 4.150 3.836 4.896 . 0 0 "[ . 1]" 1
60 1 66 TRP QB 1 70 LEU QD 2.800 . 3.100 3.081 2.635 3.338 0.238 10 0 "[ . 1]" 1
61 1 66 TRP QB 1 85 LEU MD1 3.100 . 4.300 3.628 2.657 4.081 . 0 0 "[ . 1]" 1
62 1 66 TRP QB 1 85 LEU MD2 2.800 . 3.800 2.038 1.976 2.086 . 0 0 "[ . 1]" 1
63 1 66 TRP QB 1 88 LEU QB 3.800 . 6.000 2.670 2.315 2.927 . 0 0 "[ . 1]" 1
64 1 66 TRP QB 1 88 LEU MD1 3.600 . 5.300 3.092 2.760 3.490 . 0 0 "[ . 1]" 1
65 1 66 TRP QB 1 88 LEU QD 3.300 . 4.700 2.983 2.705 3.246 . 0 0 "[ . 1]" 1
66 1 66 TRP QB 1 88 LEU HG 2.800 . 3.100 2.480 2.195 2.698 . 0 0 "[ . 1]" 1
67 1 66 TRP HD1 1 67 GLN H 4.300 . 6.000 5.793 5.560 6.020 0.020 5 0 "[ . 1]" 1
68 1 66 TRP HD1 1 69 GLN H 4.000 . 6.000 5.489 4.905 6.101 0.101 2 0 "[ . 1]" 1
69 1 66 TRP HD1 1 70 LEU H 4.300 . 6.000 6.413 5.916 7.195 1.195 2 4 "[ +* . - *]" 1
70 1 66 TRP HD1 1 89 GLN H 3.700 . 5.400 5.917 4.858 6.822 1.422 1 5 "[+ *.-** 1]" 1
71 1 66 TRP HD1 1 93 GLY H 3.700 . 5.400 4.919 3.620 5.449 0.049 1 0 "[ . 1]" 1
72 1 66 TRP HE1 1 89 GLN H 4.100 . 6.000 5.588 4.880 6.422 0.422 1 0 "[ . 1]" 1
73 1 67 GLN H 1 67 GLN HA 2.700 . 3.600 2.798 2.782 2.836 . 0 0 "[ . 1]" 1
74 1 67 GLN H 1 67 GLN HB2 2.500 . 6.000 2.346 2.220 2.494 . 0 0 "[ . 1]" 1
75 1 67 GLN H 1 67 GLN QG 2.900 . 4.000 3.996 3.879 4.082 0.082 10 0 "[ . 1]" 1
76 1 67 GLN H 1 68 PRO QD 2.700 . 3.600 2.372 2.275 2.423 . 0 0 "[ . 1]" 1
77 1 67 GLN H 1 70 LEU QD 3.900 . 5.800 4.198 3.975 4.398 . 0 0 "[ . 1]" 1
78 1 67 GLN HA 1 67 GLN HB2 2.600 . 3.400 2.566 2.472 2.641 . 0 0 "[ . 1]" 1
79 1 67 GLN HA 1 67 GLN QB 2.200 . 2.800 2.428 2.365 2.475 . 0 0 "[ . 1]" 1
80 1 67 GLN HA 1 67 GLN HB3 2.600 . 3.400 3.002 2.985 3.017 . 0 0 "[ . 1]" 1
81 1 67 GLN HA 1 67 GLN QG 2.400 . 3.100 2.393 2.160 2.574 . 0 0 "[ . 1]" 1
82 1 67 GLN HA 1 69 GLN H 2.700 . 6.000 4.128 3.854 4.316 . 0 0 "[ . 1]" 1
83 1 67 GLN HA 1 70 LEU H 2.900 . 3.900 3.372 3.121 3.657 . 0 0 "[ . 1]" 1
84 1 67 GLN HA 1 70 LEU QB 2.500 . 3.100 3.033 2.534 3.544 0.444 1 0 "[ . 1]" 1
85 1 67 GLN HA 1 71 GLN H 3.400 . 4.800 4.633 4.242 5.403 0.603 2 1 "[ + . 1]" 1
86 1 67 GLN QB 1 67 GLN HG2 1.600 . 2.200 2.148 2.039 2.273 0.073 2 0 "[ . 1]" 1
87 1 67 GLN HB2 1 67 GLN QG 2.100 . 2.700 2.409 2.329 2.497 . 0 0 "[ . 1]" 1
88 1 67 GLN HB2 1 68 PRO HD3 2.600 . 3.400 3.117 2.875 3.353 . 0 0 "[ . 1]" 1
89 1 67 GLN HB3 1 67 GLN QG 2.100 . 2.700 2.230 2.138 2.352 . 0 0 "[ . 1]" 1
90 1 67 GLN HB3 1 68 PRO HD3 2.300 . 2.900 1.891 1.862 1.985 . 0 0 "[ . 1]" 1
91 1 67 GLN QG 1 70 LEU QB 3.100 . 4.300 3.666 3.367 4.348 0.048 1 0 "[ . 1]" 1
92 1 67 GLN QG 1 70 LEU QD 3.100 . 4.300 3.090 2.409 3.859 . 0 0 "[ . 1]" 1
93 1 68 PRO HA 1 68 PRO HB2 2.500 . 3.300 2.961 2.951 2.971 . 0 0 "[ . 1]" 1
94 1 68 PRO HA 1 68 PRO HB3 2.200 . 2.800 2.289 2.281 2.296 . 0 0 "[ . 1]" 1
95 1 68 PRO HA 1 68 PRO HD2 3.400 . 4.900 3.925 3.919 3.936 . 0 0 "[ . 1]" 1
96 1 68 PRO HA 1 68 PRO QD 2.900 . 3.900 3.431 3.407 3.448 . 0 0 "[ . 1]" 1
97 1 68 PRO HA 1 68 PRO HD3 3.300 . 4.700 3.786 3.738 3.826 . 0 0 "[ . 1]" 1
98 1 68 PRO HA 1 68 PRO QG 2.400 . 3.100 2.967 2.908 3.003 . 0 0 "[ . 1]" 1
99 1 68 PRO HA 1 69 GLN H 3.500 . 5.000 3.491 3.446 3.507 . 0 0 "[ . 1]" 1
100 1 68 PRO HA 1 70 LEU H 4.600 . 6.000 4.301 4.040 4.438 . 0 0 "[ . 1]" 1
101 1 68 PRO HA 1 71 GLN H 3.400 . 4.900 3.545 3.284 3.788 . 0 0 "[ . 1]" 1
102 1 68 PRO HA 1 71 GLN HB2 3.300 . 4.700 3.181 2.779 3.915 . 0 0 "[ . 1]" 1
103 1 68 PRO HA 1 71 GLN HB3 3.300 . 4.700 4.128 2.955 4.658 . 0 0 "[ . 1]" 1
104 1 68 PRO HA 1 71 GLN QG 3.200 . 4.500 3.835 2.693 5.608 1.108 2 2 "[ + . - 1]" 1
105 1 68 PRO HA 1 72 GLN H 3.800 . 5.600 4.752 4.146 5.808 0.208 2 0 "[ . 1]" 1
106 1 68 PRO HB2 1 68 PRO HD2 2.800 . 3.800 2.929 2.905 2.953 . 0 0 "[ . 1]" 1
107 1 68 PRO HB2 1 68 PRO HD3 2.900 . 4.000 3.874 3.859 3.885 . 0 0 "[ . 1]" 1
108 1 68 PRO HB2 1 68 PRO QG 2.300 . 2.900 2.245 2.241 2.251 . 0 0 "[ . 1]" 1
109 1 68 PRO HB2 1 72 GLN H 3.200 . 6.000 5.770 5.133 6.606 0.606 2 1 "[ + . 1]" 1
110 1 68 PRO HB3 1 68 PRO QD 2.900 . 4.000 3.526 3.523 3.529 . 0 0 "[ . 1]" 1
111 1 68 PRO HD2 1 68 PRO QG 2.600 . 3.500 2.247 2.238 2.253 . 0 0 "[ . 1]" 1
112 1 68 PRO HD2 1 69 GLN H 2.700 . 3.600 2.543 2.410 2.713 . 0 0 "[ . 1]" 1
113 1 68 PRO HD3 1 68 PRO QG 2.400 . 6.000 2.186 2.181 2.188 . 0 0 "[ . 1]" 1
114 1 68 PRO QG 1 69 GLN H 3.400 . 4.900 3.799 3.655 3.948 . 0 0 "[ . 1]" 1
115 1 69 GLN H 1 88 LEU MD1 3.600 . 5.200 4.637 4.499 4.799 . 0 0 "[ . 1]" 1
116 1 69 GLN H 1 69 GLN QB 2.600 . 3.300 2.329 2.236 2.528 . 0 0 "[ . 1]" 1
117 1 69 GLN H 1 69 GLN HG3 3.200 . 4.500 3.667 3.548 3.750 . 0 0 "[ . 1]" 1
118 1 69 GLN H 1 70 LEU H 2.800 . 3.800 2.502 2.299 2.668 . 0 0 "[ . 1]" 1
119 1 69 GLN H 1 72 GLN H 4.200 . 6.000 4.955 4.589 5.661 . 0 0 "[ . 1]" 1
120 1 69 GLN H 1 85 LEU MD2 3.500 . 5.100 4.470 4.292 4.653 . 0 0 "[ . 1]" 1
121 1 69 GLN H 1 88 LEU MD1 3.400 . 4.800 5.073 4.774 5.346 0.546 1 1 "[+ . 1]" 1
122 1 69 GLN H 1 88 LEU HG 3.300 . 4.600 4.423 4.295 4.594 . 0 0 "[ . 1]" 1
123 1 69 GLN HA 1 69 GLN QB 2.300 . 2.900 2.417 2.324 2.464 . 0 0 "[ . 1]" 1
124 1 69 GLN HA 1 69 GLN HG2 2.500 . 3.300 3.378 2.865 3.662 0.362 3 0 "[ . 1]" 1
125 1 69 GLN HA 1 69 GLN HG3 2.600 . 6.000 2.957 2.371 3.850 . 0 0 "[ . 1]" 1
126 1 69 GLN HA 1 72 GLN H 2.600 . 3.500 3.434 3.295 3.683 0.183 2 0 "[ . 1]" 1
127 1 69 GLN HA 1 72 GLN QB 2.700 . 3.600 2.980 2.181 3.758 0.158 2 0 "[ . 1]" 1
128 1 69 GLN HA 1 88 LEU QD 3.300 . 4.700 4.381 4.087 4.644 . 0 0 "[ . 1]" 1
129 1 69 GLN HA 1 95 ILE MD 2.600 . 3.400 2.769 2.240 3.089 . 0 0 "[ . 1]" 1
130 1 69 GLN QB 1 69 GLN HG2 2.400 . 3.100 2.250 2.155 2.402 . 0 0 "[ . 1]" 1
131 1 69 GLN QB 1 69 GLN HG3 2.600 . 3.100 2.290 2.152 2.391 . 0 0 "[ . 1]" 1
132 1 69 GLN QB 1 70 LEU H 3.000 . 4.100 2.689 2.584 2.938 . 0 0 "[ . 1]" 1
133 1 69 GLN QB 1 72 GLN QG 2.600 . 6.000 4.965 3.855 6.208 0.208 2 0 "[ . 1]" 1
134 1 69 GLN QB 1 88 LEU HB3 3.400 . 4.800 4.480 4.253 4.871 0.071 8 0 "[ . 1]" 1
135 1 69 GLN QB 1 88 LEU MD1 2.400 . 2.800 2.530 2.388 2.768 . 0 0 "[ . 1]" 1
136 1 69 GLN QB 1 88 LEU HG 2.700 . 3.400 2.689 2.330 3.143 . 0 0 "[ . 1]" 1
137 1 69 GLN QB 1 95 ILE HA 3.400 . 6.000 4.642 4.418 4.930 . 0 0 "[ . 1]" 1
138 1 69 GLN QB 1 95 ILE MD 2.900 . 3.100 2.116 1.835 2.526 . 0 0 "[ . 1]" 1
139 1 69 GLN QB 1 95 ILE QG 2.600 . 6.000 3.588 2.834 4.359 . 0 0 "[ . 1]" 1
140 1 69 GLN HG2 1 88 LEU MD1 3.000 . 4.100 3.004 2.059 4.306 0.206 7 0 "[ . 1]" 1
141 1 69 GLN HG2 1 88 LEU HG 3.500 . 5.100 4.210 3.085 5.393 0.293 7 0 "[ . 1]" 1
142 1 69 GLN HG2 1 95 ILE MD 2.800 . 3.800 3.586 2.868 4.461 0.661 6 3 "[ .+*- 1]" 1
143 1 69 GLN HG3 1 70 LEU H 4.200 . 6.000 5.024 4.872 5.234 . 0 0 "[ . 1]" 1
144 1 69 GLN HG3 1 72 GLN H 3.800 . 5.600 4.737 4.598 5.014 . 0 0 "[ . 1]" 1
145 1 69 GLN HG3 1 88 LEU MD1 2.800 . 3.800 3.120 2.533 3.754 . 0 0 "[ . 1]" 1
146 1 69 GLN HG3 1 88 LEU HG 3.500 . 5.000 4.496 4.154 5.231 0.231 9 0 "[ . 1]" 1
147 1 69 GLN HG3 1 95 ILE MD 2.800 . 3.800 2.913 2.094 3.912 0.112 6 0 "[ . 1]" 1
148 1 69 GLN HG3 1 95 ILE QG 3.100 . 4.300 3.649 2.485 4.627 0.327 8 0 "[ . 1]" 1
149 1 70 LEU H 1 70 LEU HA 2.800 . 3.800 2.815 2.797 2.836 . 0 0 "[ . 1]" 1
150 1 70 LEU H 1 70 LEU QB 2.700 . 3.600 2.486 2.367 2.622 . 0 0 "[ . 1]" 1
151 1 70 LEU H 1 70 LEU QD 3.100 . 4.300 2.985 2.642 3.174 . 0 0 "[ . 1]" 1
152 1 70 LEU H 1 70 LEU HG 2.600 . 3.400 2.239 2.038 2.447 . 0 0 "[ . 1]" 1
153 1 70 LEU H 1 71 GLN H 2.800 . 3.800 2.629 2.554 2.715 . 0 0 "[ . 1]" 1
154 1 70 LEU H 1 71 GLN QB 3.600 . 5.200 4.511 4.279 4.701 . 0 0 "[ . 1]" 1
155 1 70 LEU H 1 72 GLN H 3.700 . 5.400 4.187 3.854 4.550 . 0 0 "[ . 1]" 1
156 1 70 LEU H 1 88 LEU QD 3.600 . 5.200 4.641 4.330 4.897 . 0 0 "[ . 1]" 1
157 1 70 LEU H 1 88 LEU HG 3.100 . 6.000 4.759 4.369 5.264 . 0 0 "[ . 1]" 1
158 1 70 LEU HA 1 70 LEU QB 2.500 . 3.300 2.361 2.310 2.414 . 0 0 "[ . 1]" 1
159 1 70 LEU HA 1 70 LEU QD 2.300 . 2.500 2.089 2.021 2.148 . 0 0 "[ . 1]" 1
160 1 70 LEU HA 1 73 LEU H 3.200 . 4.400 3.394 3.207 3.615 . 0 0 "[ . 1]" 1
161 1 70 LEU HA 1 73 LEU HB2 2.900 . 3.900 2.746 2.476 3.064 . 0 0 "[ . 1]" 1
162 1 70 LEU HA 1 73 LEU HB3 3.100 . 6.000 4.365 4.067 4.733 . 0 0 "[ . 1]" 1
163 1 70 LEU HA 1 73 LEU HG 3.500 . 5.000 3.839 3.323 4.411 . 0 0 "[ . 1]" 1
164 1 70 LEU QB 1 70 LEU QD 2.300 . 2.600 1.939 1.912 1.970 . 0 0 "[ . 1]" 1
165 1 70 LEU QB 1 70 LEU HG 2.400 . 3.100 2.354 2.309 2.409 . 0 0 "[ . 1]" 1
166 1 70 LEU QB 1 71 GLN H 2.800 . 3.800 2.595 2.365 2.941 . 0 0 "[ . 1]" 1
167 1 70 LEU QB 1 74 ARG H 3.400 . 4.900 4.452 4.180 4.740 . 0 0 "[ . 1]" 1
168 1 70 LEU QD 1 71 GLN H 3.400 . 4.800 4.066 3.862 4.212 . 0 0 "[ . 1]" 1
169 1 70 LEU QD 1 73 LEU HG 2.100 . 6.000 4.574 4.125 4.983 . 0 0 "[ . 1]" 1
170 1 70 LEU QD 1 81 ASP HA 2.500 . 3.300 2.944 2.376 3.416 0.116 8 0 "[ . 1]" 1
171 1 70 LEU QD 1 81 ASP QB 2.900 . 3.500 2.239 1.993 2.581 . 0 0 "[ . 1]" 1
172 1 70 LEU QD 1 87 ALA H 3.100 . 6.000 4.719 3.668 5.517 . 0 0 "[ . 1]" 1
173 1 70 LEU HG 1 71 GLN H 2.900 . 4.000 4.272 4.012 4.437 0.437 4 0 "[ . 1]" 1
174 1 70 LEU HG 1 71 GLN HA 3.300 . 6.000 6.408 6.251 6.516 0.516 4 1 "[ +. 1]" 1
175 1 70 LEU HG 1 74 ARG QD 3.400 . 4.700 6.258 5.885 6.800 2.100 2 10 [*+*-******] 1
176 1 71 GLN H 1 71 GLN HA 2.800 . 3.800 2.806 2.783 2.836 . 0 0 "[ . 1]" 1
177 1 71 GLN H 1 71 GLN QB 2.400 . 3.100 2.347 2.210 2.516 . 0 0 "[ . 1]" 1
178 1 71 GLN H 1 71 GLN QG 2.900 . 3.900 2.915 2.074 3.963 0.063 7 0 "[ . 1]" 1
179 1 71 GLN H 1 72 GLN H 2.700 . 3.600 2.677 2.505 2.751 . 0 0 "[ . 1]" 1
180 1 71 GLN HA 1 71 GLN HB2 2.600 . 3.500 2.783 2.371 3.028 . 0 0 "[ . 1]" 1
181 1 71 GLN HA 1 71 GLN QB 2.200 . 2.800 2.361 2.288 2.413 . 0 0 "[ . 1]" 1
182 1 71 GLN HA 1 71 GLN HB3 2.600 . 3.500 2.704 2.439 3.027 . 0 0 "[ . 1]" 1
183 1 71 GLN HA 1 71 GLN QG 2.600 . 3.400 2.774 2.474 3.038 . 0 0 "[ . 1]" 1
184 1 71 GLN HA 1 72 GLN H 3.200 . 4.500 3.526 3.487 3.553 . 0 0 "[ . 1]" 1
185 1 71 GLN HA 1 73 LEU H 3.600 . 5.300 4.333 4.205 4.594 . 0 0 "[ . 1]" 1
186 1 71 GLN HA 1 74 ARG H 2.900 . 3.900 3.404 3.234 3.824 . 0 0 "[ . 1]" 1
187 1 71 GLN HA 1 74 ARG HA 3.300 . 6.000 5.298 5.052 5.867 . 0 0 "[ . 1]" 1
188 1 71 GLN HA 1 74 ARG HB2 2.900 . 3.900 2.516 2.160 3.094 . 0 0 "[ . 1]" 1
189 1 71 GLN HA 1 74 ARG HB3 3.000 . 4.100 4.109 3.677 4.749 0.649 8 2 "[ - . + 1]" 1
190 1 71 GLN HA 1 74 ARG QD 2.400 . 3.100 2.759 2.257 3.504 0.404 2 0 "[ . 1]" 1
191 1 71 GLN HB2 1 71 GLN QG 1.600 . 2.200 2.215 2.160 2.399 0.199 2 0 "[ . 1]" 1
192 1 72 GLN H 1 72 GLN HA 2.600 . 3.400 2.821 2.798 2.840 . 0 0 "[ . 1]" 1
193 1 72 GLN H 1 72 GLN QB 2.500 . 3.300 2.284 2.036 2.561 . 0 0 "[ . 1]" 1
194 1 72 GLN H 1 72 GLN QG 2.800 . 3.800 2.751 1.984 3.864 0.064 2 0 "[ . 1]" 1
195 1 72 GLN H 1 73 LEU H 2.700 . 3.600 2.610 2.555 2.715 . 0 0 "[ . 1]" 1
196 1 72 GLN H 1 73 LEU QD 3.100 . 4.300 4.695 3.919 4.967 0.667 5 4 "[ **+ -1]" 1
197 1 72 GLN H 1 74 ARG H 3.500 . 5.000 4.089 3.850 4.274 . 0 0 "[ . 1]" 1
198 1 72 GLN H 1 88 LEU QD 4.400 . 6.000 6.092 5.830 6.221 0.221 8 0 "[ . 1]" 1
199 1 72 GLN H 1 95 ILE QG 4.200 . 6.000 5.696 4.917 6.504 0.504 10 1 "[ . +]" 1
200 1 72 GLN HA 1 72 GLN QB 2.100 . 2.700 2.438 2.326 2.538 . 0 0 "[ . 1]" 1
201 1 72 GLN HA 1 72 GLN QG 2.700 . 3.600 2.679 2.162 3.041 . 0 0 "[ . 1]" 1
202 1 72 GLN HA 1 75 ASP H 2.900 . 3.900 3.672 3.467 3.894 . 0 0 "[ . 1]" 1
203 1 72 GLN HA 1 75 ASP QB 2.700 . 3.100 2.936 2.571 3.436 0.336 3 0 "[ . 1]" 1
204 1 72 GLN HA 1 95 ILE MD 3.100 . 6.000 5.496 5.345 5.807 . 0 0 "[ . 1]" 1
205 1 72 GLN QB 1 73 LEU H 2.900 . 4.000 2.629 2.494 2.720 . 0 0 "[ . 1]" 1
206 1 72 GLN QB 1 76 MET H 3.300 . 6.000 5.329 4.658 6.519 0.519 3 1 "[ + . 1]" 1
207 1 72 GLN QB 1 95 ILE MD 2.700 . 3.600 2.942 2.756 3.264 . 0 0 "[ . 1]" 1
208 1 72 GLN QB 1 95 ILE MG 2.800 . 3.800 3.544 3.037 3.973 0.173 10 0 "[ . 1]" 1
209 1 72 GLN QB 1 99 LEU QD 2.700 . 6.000 5.582 5.143 5.902 . 0 0 "[ . 1]" 1
210 1 72 GLN QG 1 95 ILE HB 3.300 . 6.000 5.958 5.230 6.843 0.843 1 2 "[+ - 1]" 1
211 1 72 GLN QG 1 95 ILE MD 2.900 . 3.900 3.932 3.219 4.659 0.759 2 1 "[ + . 1]" 1
212 1 72 GLN QG 1 95 ILE MG 2.700 . 3.600 4.627 4.037 5.195 1.595 3 9 "[* +***-***]" 1
213 1 73 LEU H 1 73 LEU HA 2.600 . 3.500 2.846 2.791 2.870 . 0 0 "[ . 1]" 1
214 1 73 LEU H 1 73 LEU HB2 2.600 . 3.500 2.354 2.299 2.438 . 0 0 "[ . 1]" 1
215 1 73 LEU H 1 73 LEU HB3 2.800 . 3.800 3.567 3.549 3.587 . 0 0 "[ . 1]" 1
216 1 73 LEU H 1 73 LEU QD 2.600 . 3.500 3.124 2.519 3.285 . 0 0 "[ . 1]" 1
217 1 73 LEU H 1 73 LEU HG 2.600 . 3.400 2.591 2.300 2.839 . 0 0 "[ . 1]" 1
218 1 73 LEU H 1 74 ARG H 2.700 . 3.600 2.558 2.436 2.800 . 0 0 "[ . 1]" 1
219 1 73 LEU H 1 88 LEU QD 4.000 . 6.000 5.282 5.185 5.441 . 0 0 "[ . 1]" 1
220 1 73 LEU HA 1 73 LEU HB2 2.500 . 3.300 3.011 3.004 3.021 . 0 0 "[ . 1]" 1
221 1 73 LEU HA 1 73 LEU HB3 2.500 . 3.300 2.539 2.495 2.576 . 0 0 "[ . 1]" 1
222 1 73 LEU HA 1 73 LEU MD2 2.200 . 2.800 2.179 1.957 2.928 0.128 7 0 "[ . 1]" 1
223 1 73 LEU HA 1 73 LEU HG 2.600 . 3.400 2.877 2.444 3.098 . 0 0 "[ . 1]" 1
224 1 73 LEU HA 1 74 ARG H 3.000 . 4.100 3.530 3.478 3.566 . 0 0 "[ . 1]" 1
225 1 73 LEU HA 1 75 ASP H 3.000 . 4.100 4.211 3.550 4.575 0.475 1 0 "[ . 1]" 1
226 1 73 LEU HA 1 76 MET H 3.000 . 4.100 3.449 3.246 4.009 . 0 0 "[ . 1]" 1
227 1 73 LEU HA 1 76 MET QB 2.400 . 3.100 3.103 2.452 4.984 1.884 3 1 "[ + . 1]" 1
228 1 73 LEU HA 1 76 MET QG 3.000 . 4.100 3.813 2.172 4.905 0.805 10 2 "[- . +]" 1
229 1 73 LEU HA 1 95 ILE MG 3.300 . 6.000 4.108 3.389 4.538 . 0 0 "[ . 1]" 1
230 1 73 LEU HB2 1 73 LEU MD1 2.400 . 3.100 2.297 2.119 2.468 . 0 0 "[ . 1]" 1
231 1 73 LEU HB2 1 73 LEU HG 2.600 . 3.400 2.536 2.394 2.828 . 0 0 "[ . 1]" 1
232 1 73 LEU HB2 1 77 GLY H 4.300 . 6.000 6.091 5.709 6.442 0.442 3 0 "[ . 1]" 1
233 1 73 LEU HB2 1 84 SER QB 3.900 . 5.800 3.745 3.233 4.235 . 0 0 "[ . 1]" 1
234 1 73 LEU HB3 1 73 LEU QD 2.400 . 3.100 2.082 2.021 2.119 . 0 0 "[ . 1]" 1
235 1 73 LEU HB3 1 73 LEU HG 2.800 . 3.800 2.997 2.871 3.017 . 0 0 "[ . 1]" 1
236 1 73 LEU HB3 1 74 ARG H 3.000 . 4.100 3.517 3.341 3.720 . 0 0 "[ . 1]" 1
237 1 73 LEU HB3 1 74 ARG HA 3.500 . 5.100 4.291 4.224 4.435 . 0 0 "[ . 1]" 1
238 1 73 LEU QD 1 74 ARG H 3.000 . 4.100 4.061 3.872 4.224 0.124 3 0 "[ . 1]" 1
239 1 73 LEU QD 1 88 LEU MD2 2.400 . 3.100 2.092 1.946 2.349 . 0 0 "[ . 1]" 1
240 1 73 LEU MD1 1 84 SER QB 2.400 . 3.100 2.103 1.962 2.855 . 0 0 "[ . 1]" 1
241 1 73 LEU MD2 1 76 MET QG 3.300 . 4.700 4.208 2.522 5.066 0.366 7 0 "[ . 1]" 1
242 1 73 LEU HG 1 84 SER QB 3.800 . 5.600 4.478 4.075 5.138 . 0 0 "[ . 1]" 1
243 1 73 LEU HG 1 95 ILE MD 2.400 . 3.100 2.310 2.038 2.793 . 0 0 "[ . 1]" 1
244 1 74 ARG H 1 74 ARG HA 2.500 . 3.300 2.806 2.782 2.824 . 0 0 "[ . 1]" 1
245 1 74 ARG H 1 74 ARG QD 3.300 . 4.600 3.848 3.616 4.110 . 0 0 "[ . 1]" 1
246 1 74 ARG H 1 74 ARG HG2 2.700 . 3.600 3.656 3.359 4.020 0.420 3 0 "[ . 1]" 1
247 1 74 ARG H 1 74 ARG HG3 2.300 . 3.000 2.514 2.234 2.880 . 0 0 "[ . 1]" 1
248 1 74 ARG HA 1 74 ARG HB2 2.700 . 3.600 3.007 2.974 3.025 . 0 0 "[ . 1]" 1
249 1 74 ARG HA 1 74 ARG HB3 2.800 . 3.800 2.567 2.500 2.659 . 0 0 "[ . 1]" 1
250 1 74 ARG HA 1 74 ARG QD 3.000 . 4.200 4.043 3.916 4.175 . 0 0 "[ . 1]" 1
251 1 74 ARG HA 1 74 ARG HG2 2.300 . 2.900 2.497 2.329 2.620 . 0 0 "[ . 1]" 1
252 1 74 ARG HA 1 74 ARG HG3 2.100 . 2.700 2.929 2.668 3.188 0.488 9 0 "[ . 1]" 1
253 1 74 ARG HB2 1 76 MET H 3.400 . 4.900 4.869 4.556 5.388 0.488 3 0 "[ . 1]" 1
254 1 74 ARG HB2 1 77 GLY H 3.800 . 5.600 5.138 4.884 5.344 . 0 0 "[ . 1]" 1
255 1 74 ARG HB2 1 75 ASP HA 3.100 . 6.000 4.498 4.329 4.824 . 0 0 "[ . 1]" 1
256 1 74 ARG QD 1 74 ARG HG2 2.600 . 3.300 2.360 2.245 2.439 . 0 0 "[ . 1]" 1
257 1 74 ARG QD 1 74 ARG HG3 2.200 . 2.800 2.286 2.171 2.443 . 0 0 "[ . 1]" 1
258 1 74 ARG HG3 1 81 ASP H 3.900 . 5.800 4.876 4.557 5.186 . 0 0 "[ . 1]" 1
259 1 75 ASP H 1 75 ASP HA 2.600 . 3.400 2.824 2.802 2.846 . 0 0 "[ . 1]" 1
260 1 75 ASP H 1 75 ASP QB 2.700 . 3.400 2.248 2.214 2.272 . 0 0 "[ . 1]" 1
261 1 75 ASP H 1 76 MET H 2.700 . 3.600 2.614 2.533 2.735 . 0 0 "[ . 1]" 1
262 1 75 ASP H 1 77 GLY H 3.700 . 5.400 4.014 3.765 4.417 . 0 0 "[ . 1]" 1
263 1 75 ASP HA 1 75 ASP QB 2.200 . 2.800 2.355 2.321 2.438 . 0 0 "[ . 1]" 1
264 1 76 MET H 1 76 MET HA 2.500 . 3.300 2.858 2.829 2.890 . 0 0 "[ . 1]" 1
265 1 76 MET H 1 76 MET QB 2.500 . 3.300 2.318 2.119 2.558 . 0 0 "[ . 1]" 1
266 1 76 MET H 1 76 MET QG 2.700 . 3.600 3.147 2.361 3.997 0.397 5 0 "[ . 1]" 1
267 1 76 MET H 1 77 GLY H 2.600 . 3.500 2.494 2.325 2.634 . 0 0 "[ . 1]" 1
268 1 76 MET H 1 77 GLY HA3 3.900 . 5.800 5.153 5.029 5.261 . 0 0 "[ . 1]" 1
269 1 76 MET H 1 78 ILE H 3.100 . 4.300 3.857 3.465 5.148 0.848 3 1 "[ + . 1]" 1
270 1 76 MET H 1 78 ILE HB 3.600 . 5.200 5.226 4.764 5.869 0.669 3 1 "[ + . 1]" 1
271 1 76 MET H 1 78 ILE MD 3.300 . 6.000 5.529 4.877 6.076 0.076 1 0 "[ . 1]" 1
272 1 76 MET H 1 78 ILE HG12 3.700 . 5.500 4.534 3.804 5.595 0.095 3 0 "[ . 1]" 1
273 1 76 MET HA 1 76 MET QB 2.100 . 2.600 2.347 2.166 2.530 . 0 0 "[ . 1]" 1
274 1 76 MET HA 1 76 MET QG 2.500 . 3.300 2.669 2.215 3.433 0.133 9 0 "[ . 1]" 1
275 1 76 MET QB 1 77 GLY H 3.200 . 4.500 3.054 2.310 3.678 . 0 0 "[ . 1]" 1
276 1 76 MET QB 1 77 GLY HA2 3.900 . 5.800 4.922 4.539 5.331 . 0 0 "[ . 1]" 1
277 1 76 MET QB 1 77 GLY HA3 3.000 . 6.000 4.332 3.997 4.640 . 0 0 "[ . 1]" 1
278 1 76 MET QB 1 78 ILE H 3.400 . 4.900 3.788 2.949 5.969 1.069 3 1 "[ + . 1]" 1
279 1 76 MET QB 1 78 ILE HG12 3.300 . 4.600 3.288 2.278 5.148 0.548 3 1 "[ + . 1]" 1
280 1 76 MET QG 1 77 GLY H 3.600 . 5.200 3.624 2.244 4.542 . 0 0 "[ . 1]" 1
281 1 76 MET QG 1 78 ILE H 4.400 . 6.000 4.362 2.323 5.337 . 0 0 "[ . 1]" 1
282 1 77 GLY H 1 77 GLY HA2 2.500 . 3.300 2.541 2.409 2.758 . 0 0 "[ . 1]" 1
283 1 77 GLY H 1 77 GLY HA3 2.600 . 3.500 2.931 2.852 2.953 . 0 0 "[ . 1]" 1
284 1 77 GLY H 1 78 ILE HB 3.500 . 5.000 4.339 3.877 4.587 . 0 0 "[ . 1]" 1
285 1 77 GLY H 1 78 ILE MD 3.500 . 5.100 4.461 4.068 4.912 . 0 0 "[ . 1]" 1
286 1 77 GLY H 1 78 ILE HG12 3.600 . 5.200 3.561 3.030 4.425 . 0 0 "[ . 1]" 1
287 1 77 GLY HA2 1 78 ILE H 2.600 . 3.500 3.084 2.271 3.402 . 0 0 "[ . 1]" 1
288 1 77 GLY HA3 1 78 ILE H 3.200 . 4.400 3.380 3.190 3.546 . 0 0 "[ . 1]" 1
289 1 77 GLY HA3 1 79 GLN H 4.000 . 6.000 5.265 4.643 6.548 0.548 1 1 "[+ . 1]" 1
290 1 78 ILE H 1 78 ILE HA 2.900 . 4.000 2.901 2.832 2.940 . 0 0 "[ . 1]" 1
291 1 78 ILE H 1 78 ILE HB 2.600 . 3.400 2.680 2.535 2.833 . 0 0 "[ . 1]" 1
292 1 78 ILE H 1 78 ILE MD 2.700 . 3.600 3.373 2.991 4.415 0.815 3 1 "[ + . 1]" 1
293 1 78 ILE H 1 78 ILE HG12 2.600 . 3.500 2.399 1.938 3.813 0.313 3 0 "[ . 1]" 1
294 1 78 ILE H 1 79 GLN H 3.400 . 4.800 4.102 3.738 4.416 . 0 0 "[ . 1]" 1
295 1 78 ILE HA 1 78 ILE HB 2.500 . 3.300 3.017 2.999 3.026 . 0 0 "[ . 1]" 1
296 1 78 ILE HA 1 78 ILE MD 2.800 . 3.700 2.345 2.067 3.656 . 0 0 "[ . 1]" 1
297 1 78 ILE HA 1 78 ILE QG 2.500 . 3.300 2.946 2.300 3.120 . 0 0 "[ . 1]" 1
298 1 78 ILE HA 1 78 ILE MG 2.000 . 2.500 2.329 2.240 2.403 . 0 0 "[ . 1]" 1
299 1 78 ILE HA 1 79 GLN H 2.300 . 3.000 2.211 2.116 2.379 . 0 0 "[ . 1]" 1
300 1 78 ILE HA 1 80 ASP H 3.500 . 5.000 3.466 3.167 4.298 . 0 0 "[ . 1]" 1
301 1 78 ILE HB 1 78 ILE MD 2.900 . 4.000 3.173 2.582 3.244 . 0 0 "[ . 1]" 1
302 1 78 ILE HB 1 78 ILE QG 2.300 . 3.000 2.197 2.185 2.268 . 0 0 "[ . 1]" 1
303 1 78 ILE HB 1 78 ILE MG 2.100 . 2.600 2.127 2.124 2.131 . 0 0 "[ . 1]" 1
304 1 78 ILE MD 1 79 GLN H 2.900 . 3.900 4.112 3.659 5.170 1.270 3 1 "[ + . 1]" 1
305 1 78 ILE QG 1 79 GLN H 3.700 . 5.400 4.730 4.220 4.860 . 0 0 "[ . 1]" 1
306 1 78 ILE HG13 1 78 ILE MG 2.100 . 2.600 2.456 2.333 3.170 0.570 3 1 "[ + . 1]" 1
307 1 78 ILE MG 1 80 ASP H 2.900 . 3.900 2.545 1.794 2.942 0.106 3 0 "[ . 1]" 1
308 1 78 ILE MG 1 80 ASP QB 3.400 . 4.800 2.966 2.576 3.630 . 0 0 "[ . 1]" 1
309 1 79 GLN H 1 79 GLN HA 2.800 . 3.800 2.852 2.763 2.940 . 0 0 "[ . 1]" 1
310 1 79 GLN H 1 79 GLN HB2 2.700 . 3.600 2.618 2.061 3.571 . 0 0 "[ . 1]" 1
311 1 79 GLN H 1 79 GLN HB3 2.800 . 3.800 2.879 2.209 3.603 . 0 0 "[ . 1]" 1
312 1 79 GLN H 1 80 ASP H 2.800 . 3.800 2.519 2.196 2.844 . 0 0 "[ . 1]" 1
313 1 79 GLN H 1 80 ASP HA 3.800 . 5.600 5.116 4.810 5.411 . 0 0 "[ . 1]" 1
314 1 79 GLN H 1 80 ASP QB 4.300 . 6.000 4.521 4.199 5.150 . 0 0 "[ . 1]" 1
315 1 79 GLN HA 1 79 GLN HB2 2.200 . 2.800 2.643 2.323 3.023 0.223 9 0 "[ . 1]" 1
316 1 79 GLN HA 1 79 GLN HB3 2.500 . 3.300 2.819 2.327 3.025 . 0 0 "[ . 1]" 1
317 1 79 GLN HA 1 79 GLN QG 2.700 . 3.500 2.520 2.223 3.329 . 0 0 "[ . 1]" 1
318 1 79 GLN HA 1 80 ASP H 3.200 . 4.500 3.424 3.075 3.551 . 0 0 "[ . 1]" 1
319 1 79 GLN HB2 1 80 ASP H 3.600 . 5.200 3.726 2.879 4.264 . 0 0 "[ . 1]" 1
320 1 79 GLN HB3 1 79 GLN QG 2.300 . 2.900 2.340 2.150 2.512 . 0 0 "[ . 1]" 1
321 1 79 GLN HB3 1 80 ASP H 3.600 . 5.200 3.336 2.275 4.268 . 0 0 "[ . 1]" 1
322 1 79 GLN QG 1 82 GLU H 3.100 . 6.000 6.968 5.773 8.455 2.455 9 7 "[-** *** +1]" 1
323 1 80 ASP H 1 80 ASP QB 3.000 . 4.100 2.457 2.165 2.905 . 0 0 "[ . 1]" 1
324 1 80 ASP H 1 81 ASP H 3.500 . 5.100 3.867 3.234 4.375 . 0 0 "[ . 1]" 1
325 1 80 ASP H 1 81 ASP HA 4.400 . 6.000 4.951 4.316 5.303 . 0 0 "[ . 1]" 1
326 1 80 ASP H 1 83 LEU HB3 4.600 . 6.000 5.589 4.929 6.404 0.404 1 0 "[ . 1]" 1
327 1 80 ASP HA 1 80 ASP QB 2.200 . 2.800 2.386 2.185 2.500 . 0 0 "[ . 1]" 1
328 1 80 ASP HA 1 81 ASP H 2.400 . 3.100 2.340 2.151 2.493 . 0 0 "[ . 1]" 1
329 1 80 ASP HA 1 82 GLU H 3.300 . 4.700 3.337 3.152 3.501 . 0 0 "[ . 1]" 1
330 1 80 ASP HA 1 83 LEU H 4.200 . 6.000 3.970 3.659 4.552 . 0 0 "[ . 1]" 1
331 1 80 ASP HA 1 83 LEU QD 3.500 . 5.100 5.434 4.463 5.938 0.838 4 4 "[ +* -*]" 1
332 1 80 ASP HA 1 84 SER H 3.000 . 6.000 5.080 4.823 5.529 . 0 0 "[ . 1]" 1
333 1 80 ASP QB 1 81 ASP H 3.300 . 4.600 3.798 3.474 3.907 . 0 0 "[ . 1]" 1
334 1 80 ASP QB 1 83 LEU H 3.900 . 5.000 2.772 2.319 3.357 . 0 0 "[ . 1]" 1
335 1 80 ASP QB 1 83 LEU HB2 2.900 . 3.700 2.362 2.034 2.794 . 0 0 "[ . 1]" 1
336 1 80 ASP QB 1 83 LEU HB3 3.200 . 4.500 2.798 2.193 4.016 . 0 0 "[ . 1]" 1
337 1 80 ASP QB 1 83 LEU QD 3.000 . 4.000 3.387 2.205 3.915 . 0 0 "[ . 1]" 1
338 1 80 ASP QB 1 84 SER H 3.700 . 5.400 3.636 3.329 3.899 . 0 0 "[ . 1]" 1
339 1 81 ASP H 1 81 ASP HA 3.000 . 4.100 2.850 2.819 2.879 . 0 0 "[ . 1]" 1
340 1 81 ASP H 1 81 ASP QB 2.500 . 3.300 2.446 2.331 2.501 . 0 0 "[ . 1]" 1
341 1 81 ASP H 1 82 GLU H 2.900 . 4.000 2.514 2.375 2.625 . 0 0 "[ . 1]" 1
342 1 81 ASP H 1 82 GLU QB 3.700 . 5.400 4.386 4.126 4.694 . 0 0 "[ . 1]" 1
343 1 81 ASP H 1 83 LEU QD 3.600 . 5.200 6.232 5.179 6.584 1.384 4 9 "[ **+***-**]" 1
344 1 81 ASP HA 1 81 ASP QB 2.100 . 2.700 2.179 2.172 2.185 . 0 0 "[ . 1]" 1
345 1 81 ASP HA 1 82 GLU H 3.500 . 5.000 3.472 3.419 3.528 . 0 0 "[ . 1]" 1
346 1 81 ASP HA 1 84 SER H 3.100 . 4.300 3.243 3.074 3.467 . 0 0 "[ . 1]" 1
347 1 81 ASP HA 1 84 SER QB 2.700 . 3.000 2.398 2.020 2.626 . 0 0 "[ . 1]" 1
348 1 81 ASP HA 1 85 LEU H 3.600 . 5.200 4.013 3.772 4.373 . 0 0 "[ . 1]" 1
349 1 81 ASP QB 1 82 GLU H 2.700 . 3.600 3.593 3.532 3.653 0.053 1 0 "[ . 1]" 1
350 1 81 ASP QB 1 83 LEU H 4.500 . 6.000 5.309 5.084 5.482 . 0 0 "[ . 1]" 1
351 1 81 ASP QB 1 84 SER H 3.900 . 5.800 4.777 4.640 4.992 . 0 0 "[ . 1]" 1
352 1 81 ASP QB 1 84 SER QB 3.800 . 4.700 3.662 3.386 3.951 . 0 0 "[ . 1]" 1
353 1 82 GLU H 1 82 GLU HA 2.600 . 3.400 2.828 2.803 2.850 . 0 0 "[ . 1]" 1
354 1 82 GLU H 1 82 GLU QB 2.300 . 3.000 2.311 2.230 2.473 . 0 0 "[ . 1]" 1
355 1 82 GLU H 1 83 LEU H 2.500 . 3.300 2.642 2.494 2.785 . 0 0 "[ . 1]" 1
356 1 82 GLU H 1 83 LEU HB2 3.000 . 6.000 4.630 4.496 4.788 . 0 0 "[ . 1]" 1
357 1 82 GLU H 1 83 LEU HB3 3.200 . 6.000 5.325 4.968 6.148 0.148 1 0 "[ . 1]" 1
358 1 82 GLU H 1 83 LEU QD 3.200 . 6.000 5.215 3.985 5.517 . 0 0 "[ . 1]" 1
359 1 82 GLU HA 1 82 GLU QG 2.600 . 3.400 2.438 2.351 2.548 . 0 0 "[ . 1]" 1
360 1 82 GLU HA 1 85 LEU MD1 2.700 . 6.000 4.843 4.290 5.320 . 0 0 "[ . 1]" 1
361 1 82 GLU HA 1 86 ARG QD 2.900 . 6.000 5.040 4.398 6.038 0.038 8 0 "[ . 1]" 1
362 1 82 GLU QB 1 83 LEU H 2.700 . 3.600 2.455 2.295 2.709 . 0 0 "[ . 1]" 1
363 1 82 GLU QB 1 84 SER H 4.100 . 6.000 4.534 4.385 4.665 . 0 0 "[ . 1]" 1
364 1 83 LEU H 1 83 LEU HA 2.600 . 3.400 2.825 2.807 2.839 . 0 0 "[ . 1]" 1
365 1 83 LEU H 1 83 LEU HB2 2.500 . 3.300 2.200 2.072 2.306 . 0 0 "[ . 1]" 1
366 1 83 LEU H 1 83 LEU HB3 2.500 . 3.300 2.964 2.724 3.524 0.224 1 0 "[ . 1]" 1
367 1 83 LEU H 1 83 LEU QD 2.800 . 3.800 3.321 2.170 3.634 . 0 0 "[ . 1]" 1
368 1 83 LEU H 1 84 SER H 2.700 . 3.600 2.556 2.458 2.659 . 0 0 "[ . 1]" 1
369 1 83 LEU H 1 84 SER QB 4.400 . 6.000 4.619 4.243 4.747 . 0 0 "[ . 1]" 1
370 1 83 LEU HA 1 83 LEU HB2 2.400 . 3.100 2.709 2.584 2.992 . 0 0 "[ . 1]" 1
371 1 83 LEU HA 1 83 LEU HB3 2.300 . 2.900 2.938 2.640 3.014 0.114 2 0 "[ . 1]" 1
372 1 83 LEU HA 1 83 LEU QD 2.000 . 2.500 1.883 1.822 1.901 . 0 0 "[ . 1]" 1
373 1 83 LEU HA 1 83 LEU HG 2.900 . 3.900 3.624 3.568 3.683 . 0 0 "[ . 1]" 1
374 1 83 LEU HA 1 86 ARG H 2.500 . 6.000 3.522 3.411 3.627 . 0 0 "[ . 1]" 1
375 1 83 LEU HA 1 86 ARG HB2 2.700 . 3.600 3.021 2.465 3.862 0.262 8 0 "[ . 1]" 1
376 1 83 LEU HA 1 86 ARG HD2 3.300 . 4.600 3.839 3.301 4.741 0.141 9 0 "[ . 1]" 1
377 1 83 LEU HA 1 87 ALA H 2.500 . 6.000 4.385 3.879 5.052 . 0 0 "[ . 1]" 1
378 1 83 LEU HB2 1 83 LEU QD 2.200 . 2.800 2.399 2.280 2.516 . 0 0 "[ . 1]" 1
379 1 83 LEU HB2 1 83 LEU HG 2.400 . 3.100 2.355 2.273 2.472 . 0 0 "[ . 1]" 1
380 1 83 LEU HB2 1 84 SER H 2.800 . 3.800 3.463 2.835 3.761 . 0 0 "[ . 1]" 1
381 1 83 LEU HB3 1 83 LEU QD 2.200 . 2.800 2.233 2.151 2.334 . 0 0 "[ . 1]" 1
382 1 83 LEU HB3 1 84 SER H 3.000 . 4.200 2.820 2.610 3.447 . 0 0 "[ . 1]" 1
383 1 83 LEU QD 1 84 SER H 2.800 . 3.800 3.726 3.487 3.923 0.123 3 0 "[ . 1]" 1
384 1 83 LEU QD 1 84 SER HA 2.800 . 3.800 3.784 3.201 5.052 1.252 1 1 "[+ . 1]" 1
385 1 83 LEU QD 1 84 SER QB 2.600 . 3.400 4.818 4.478 5.350 1.950 1 10 [+********-] 1
386 1 83 LEU QD 1 86 ARG H 3.000 . 4.200 4.080 3.825 4.429 0.229 1 0 "[ . 1]" 1
387 1 83 LEU QD 1 86 ARG QD 3.500 . 5.000 2.275 1.976 2.906 0.024 8 0 "[ . 1]" 1
388 1 83 LEU QD 1 102 ILE HA 2.500 . 3.300 3.571 3.029 4.267 0.967 5 4 "[* + -*1]" 1
389 1 83 LEU HG 1 102 ILE HA 3.500 . 5.000 6.056 5.137 7.094 2.094 5 8 "[** +****-]" 1
390 1 83 LEU HG 1 102 ILE MG 2.200 . 2.800 3.830 3.107 4.255 1.455 8 9 "[-* ****+**]" 1
391 1 84 SER H 1 84 SER HA 2.700 . 3.600 2.818 2.797 2.844 . 0 0 "[ . 1]" 1
392 1 84 SER H 1 84 SER QB 2.900 . 4.000 2.489 2.241 2.582 . 0 0 "[ . 1]" 1
393 1 84 SER H 1 85 LEU HA 2.700 . 6.000 5.240 5.079 5.353 . 0 0 "[ . 1]" 1
394 1 84 SER HA 1 84 SER QB 2.200 . 2.800 2.339 2.313 2.353 . 0 0 "[ . 1]" 1
395 1 84 SER HA 1 87 ALA H 3.200 . 4.500 3.380 3.054 3.706 . 0 0 "[ . 1]" 1
396 1 84 SER HA 1 87 ALA MB 2.800 . 3.800 2.676 2.485 2.963 . 0 0 "[ . 1]" 1
397 1 84 SER QB 1 85 LEU H 3.100 . 4.300 2.599 2.345 2.885 . 0 0 "[ . 1]" 1
398 1 84 SER QB 1 86 ARG H 4.200 . 6.000 4.735 4.669 4.820 . 0 0 "[ . 1]" 1
399 1 84 SER QB 1 87 ALA MB 3.200 . 4.500 4.023 3.527 4.495 . 0 0 "[ . 1]" 1
400 1 84 SER QB 1 99 LEU QD 2.900 . 6.000 4.811 3.258 5.810 . 0 0 "[ . 1]" 1
401 1 85 LEU H 1 85 LEU HA 2.600 . 3.400 2.802 2.789 2.819 . 0 0 "[ . 1]" 1
402 1 85 LEU H 1 85 LEU HB2 2.600 . 3.400 2.223 2.108 2.371 . 0 0 "[ . 1]" 1
403 1 85 LEU H 1 86 ARG H 2.800 . 3.800 2.692 2.609 2.762 . 0 0 "[ . 1]" 1
404 1 85 LEU HA 1 85 LEU HB2 2.400 . 3.100 2.623 2.522 2.715 . 0 0 "[ . 1]" 1
405 1 85 LEU HA 1 85 LEU HB3 2.600 . 3.500 2.992 2.951 3.023 . 0 0 "[ . 1]" 1
406 1 85 LEU HA 1 85 LEU MD1 2.000 . 2.500 2.892 2.460 3.321 0.821 6 4 "[ * .+*- 1]" 1
407 1 85 LEU HA 1 85 LEU MD2 2.100 . 2.600 1.953 1.918 1.987 . 0 0 "[ . 1]" 1
408 1 85 LEU HA 1 85 LEU HG 2.800 . 3.800 3.645 3.620 3.686 . 0 0 "[ . 1]" 1
409 1 85 LEU HA 1 88 LEU H 3.000 . 4.200 3.417 3.166 3.669 . 0 0 "[ . 1]" 1
410 1 85 LEU HA 1 88 LEU HA 2.900 . 6.000 5.282 5.004 5.492 . 0 0 "[ . 1]" 1
411 1 85 LEU HA 1 88 LEU HB2 2.700 . 3.600 2.411 2.125 2.645 . 0 0 "[ . 1]" 1
412 1 85 LEU HA 1 88 LEU MD2 3.100 . 4.300 3.612 3.090 4.125 . 0 0 "[ . 1]" 1
413 1 85 LEU HA 1 88 LEU HG 2.400 . 3.100 3.880 3.452 4.194 1.094 5 8 "[****+- **]" 1
414 1 85 LEU HB2 1 85 LEU MD2 2.200 . 2.800 2.480 2.358 2.616 . 0 0 "[ . 1]" 1
415 1 85 LEU HB3 1 85 LEU MD1 2.400 . 3.100 2.280 2.216 2.353 . 0 0 "[ . 1]" 1
416 1 85 LEU QD 1 88 LEU H 3.500 . 5.000 4.081 3.767 4.362 . 0 0 "[ . 1]" 1
417 1 85 LEU MD1 1 85 LEU HG 2.200 . 2.800 2.122 2.115 2.125 . 0 0 "[ . 1]" 1
418 1 85 LEU MD1 1 88 LEU H 3.500 . 5.000 4.708 4.588 4.844 . 0 0 "[ . 1]" 1
419 1 85 LEU MD1 1 89 GLN H 3.500 . 5.000 3.632 3.415 4.035 . 0 0 "[ . 1]" 1
420 1 85 LEU MD1 1 89 GLN QG 3.000 . 4.200 4.273 3.778 4.684 0.484 8 0 "[ . 1]" 1
421 1 85 LEU MD2 1 88 LEU QD 3.000 . 4.100 3.914 3.525 4.377 0.277 5 0 "[ . 1]" 1
422 1 86 ARG H 1 86 ARG HA 2.600 . 3.400 2.813 2.794 2.831 . 0 0 "[ . 1]" 1
423 1 86 ARG H 1 86 ARG HB2 2.700 . 3.600 2.439 2.329 2.576 . 0 0 "[ . 1]" 1
424 1 86 ARG H 1 86 ARG HB3 2.400 . 6.000 3.581 3.558 3.601 . 0 0 "[ . 1]" 1
425 1 86 ARG H 1 86 ARG QD 3.600 . 5.200 3.569 3.264 3.897 . 0 0 "[ . 1]" 1
426 1 86 ARG H 1 86 ARG HG3 2.600 . 3.500 2.290 2.080 2.510 . 0 0 "[ . 1]" 1
427 1 86 ARG H 1 87 ALA H 2.600 . 3.400 2.672 2.553 2.836 . 0 0 "[ . 1]" 1
428 1 86 ARG H 1 87 ALA MB 3.000 . 4.100 4.352 4.262 4.467 0.367 5 0 "[ . 1]" 1
429 1 86 ARG H 1 88 LEU MD2 4.100 . 6.000 5.328 5.086 5.550 . 0 0 "[ . 1]" 1
430 1 86 ARG H 1 88 LEU HG 3.700 . 6.000 6.913 6.607 7.092 1.092 1 10 [+******-**] 1
431 1 86 ARG HA 1 86 ARG HB2 2.500 . 3.300 3.020 3.006 3.029 . 0 0 "[ . 1]" 1
432 1 86 ARG HA 1 86 ARG HB3 2.100 . 2.700 2.511 2.441 2.581 . 0 0 "[ . 1]" 1
433 1 86 ARG HA 1 86 ARG QD 3.100 . 4.300 4.189 4.128 4.270 . 0 0 "[ . 1]" 1
434 1 86 ARG HA 1 86 ARG HG2 2.800 . 3.800 2.632 2.426 2.785 . 0 0 "[ . 1]" 1
435 1 86 ARG HA 1 86 ARG HG3 2.400 . 3.100 2.890 2.699 3.149 0.049 8 0 "[ . 1]" 1
436 1 86 ARG HA 1 89 GLN HB2 2.800 . 3.800 3.754 3.494 4.093 0.293 5 0 "[ . 1]" 1
437 1 86 ARG HB2 1 86 ARG QD 2.600 . 3.500 2.357 2.237 2.553 . 0 0 "[ . 1]" 1
438 1 86 ARG HB2 1 87 ALA H 3.000 . 4.100 2.614 2.420 2.791 . 0 0 "[ . 1]" 1
439 1 86 ARG HB3 1 86 ARG QD 2.700 . 3.600 2.995 2.909 3.125 . 0 0 "[ . 1]" 1
440 1 86 ARG HB3 1 87 ALA H 2.800 . 3.700 3.573 3.171 3.795 0.095 7 0 "[ . 1]" 1
441 1 86 ARG QD 1 86 ARG HG2 2.300 . 3.000 2.364 2.301 2.431 . 0 0 "[ . 1]" 1
442 1 86 ARG QD 1 86 ARG HG3 2.400 . 3.100 2.169 2.160 2.174 . 0 0 "[ . 1]" 1
443 1 86 ARG QD 1 87 ALA H 4.100 . 6.000 4.679 4.472 5.013 . 0 0 "[ . 1]" 1
444 1 87 ALA H 1 87 ALA HA 2.600 . 3.400 2.837 2.807 2.858 . 0 0 "[ . 1]" 1
445 1 87 ALA H 1 87 ALA MB 2.300 . 2.900 2.237 2.217 2.250 . 0 0 "[ . 1]" 1
446 1 87 ALA H 1 88 LEU H 3.100 . 4.300 2.581 2.451 2.717 . 0 0 "[ . 1]" 1
447 1 87 ALA H 1 88 LEU MD2 3.600 . 5.200 4.299 4.099 4.518 . 0 0 "[ . 1]" 1
448 1 87 ALA H 1 88 LEU HG 3.200 . 4.400 4.476 3.955 5.955 1.555 5 1 "[ + 1]" 1
449 1 87 ALA H 1 98 ALA MB 3.200 . 4.400 4.493 4.229 4.834 0.434 4 0 "[ . 1]" 1
450 1 87 ALA HA 1 87 ALA MB 2.100 . 2.600 2.129 2.122 2.133 . 0 0 "[ . 1]" 1
451 1 87 ALA HA 1 90 ALA H 2.900 . 4.000 3.344 3.201 3.457 . 0 0 "[ . 1]" 1
452 1 87 ALA HA 1 90 ALA MB 2.100 . 2.700 2.584 2.457 2.734 0.034 2 0 "[ . 1]" 1
453 1 87 ALA HA 1 102 ILE MD 3.600 . 5.200 5.204 4.511 5.969 0.769 6 2 "[ -+ 1]" 1
454 1 87 ALA MB 1 98 ALA HA 2.400 . 3.100 2.512 2.131 2.976 . 0 0 "[ . 1]" 1
455 1 87 ALA MB 1 98 ALA MB 2.200 . 2.800 2.035 1.869 2.303 . 0 0 "[ . 1]" 1
456 1 87 ALA MB 1 99 LEU H 2.700 . 3.600 2.335 2.091 2.538 . 0 0 "[ . 1]" 1
457 1 87 ALA MB 1 101 LEU QD 2.100 . 6.000 3.378 2.385 4.246 . 0 0 "[ . 1]" 1
458 1 88 LEU H 1 88 LEU HA 3.000 . 4.100 2.819 2.808 2.830 . 0 0 "[ . 1]" 1
459 1 88 LEU H 1 88 LEU HB2 2.400 . 3.100 2.108 2.094 2.133 . 0 0 "[ . 1]" 1
460 1 88 LEU H 1 88 LEU HB2 2.700 . 3.600 2.021 2.015 2.028 . 0 0 "[ . 1]" 1
461 1 88 LEU H 1 88 LEU HG 2.900 . 3.900 4.115 4.058 4.194 0.294 3 0 "[ . 1]" 1
462 1 88 LEU H 1 89 GLN H 2.700 . 3.600 2.615 2.545 2.719 . 0 0 "[ . 1]" 1
463 1 88 LEU H 1 90 ALA H 3.600 . 5.200 4.046 3.972 4.184 . 0 0 "[ . 1]" 1
464 1 88 LEU H 1 98 ALA MB 3.100 . 4.300 3.497 3.249 3.835 . 0 0 "[ . 1]" 1
465 1 88 LEU HA 1 88 LEU HB2 2.600 . 3.500 2.936 2.915 2.954 . 0 0 "[ . 1]" 1
466 1 88 LEU HA 1 88 LEU QB 2.300 . 6.000 2.523 2.514 2.530 . 0 0 "[ . 1]" 1
467 1 88 LEU HA 1 88 LEU HB3 2.700 . 3.600 2.750 2.723 2.772 . 0 0 "[ . 1]" 1
468 1 88 LEU HA 1 88 LEU QD 2.000 . 2.500 1.886 1.856 1.915 . 0 0 "[ . 1]" 1
469 1 88 LEU HA 1 88 LEU HG 2.900 . 4.000 3.662 3.642 3.679 . 0 0 "[ . 1]" 1
470 1 88 LEU HA 1 89 GLN H 3.300 . 4.600 3.515 3.500 3.543 . 0 0 "[ . 1]" 1
471 1 88 LEU HA 1 90 ALA H 3.900 . 5.800 4.375 4.319 4.483 . 0 0 "[ . 1]" 1
472 1 88 LEU HA 1 91 THR H 3.300 . 4.600 3.523 3.393 3.623 . 0 0 "[ . 1]" 1
473 1 88 LEU HA 1 93 GLY HA2 3.100 . 4.300 3.951 3.800 4.222 . 0 0 "[ . 1]" 1
474 1 88 LEU HA 1 98 ALA MB 2.400 . 3.100 2.785 2.432 3.118 0.018 4 0 "[ . 1]" 1
475 1 88 LEU QB 1 89 GLN HG2 3.000 . 6.000 5.585 5.418 5.720 . 0 0 "[ . 1]" 1
476 1 88 LEU HB2 1 88 LEU MD1 2.100 . 6.000 2.851 2.848 2.855 . 0 0 "[ . 1]" 1
477 1 88 LEU HB2 1 92 GLY H 3.900 . 5.800 4.589 4.239 5.210 . 0 0 "[ . 1]" 1
478 1 88 LEU HB2 1 88 LEU HG 2.700 . 3.600 2.414 2.387 2.460 . 0 0 "[ . 1]" 1
479 1 88 LEU HB3 1 88 LEU HG 2.500 . 3.300 2.458 2.412 2.490 . 0 0 "[ . 1]" 1
480 1 88 LEU HB3 1 93 GLY H 3.500 . 6.000 4.975 4.031 5.656 . 0 0 "[ . 1]" 1
481 1 88 LEU QD 1 88 LEU HG 2.100 . 2.600 1.891 1.888 1.893 . 0 0 "[ . 1]" 1
482 1 88 LEU QD 1 89 GLN H 3.000 . 4.100 3.962 3.936 3.983 . 0 0 "[ . 1]" 1
483 1 88 LEU QD 1 90 ALA H 3.900 . 5.800 5.012 4.973 5.094 . 0 0 "[ . 1]" 1
484 1 88 LEU QD 1 91 THR H 3.700 . 5.400 4.395 4.282 4.453 . 0 0 "[ . 1]" 1
485 1 88 LEU QD 1 95 ILE HA 2.400 . 3.100 2.757 2.605 2.921 . 0 0 "[ . 1]" 1
486 1 88 LEU QD 1 95 ILE HB 3.700 . 5.400 4.679 4.523 4.920 . 0 0 "[ . 1]" 1
487 1 88 LEU QD 1 95 ILE MD 2.800 . 3.800 2.053 1.858 2.216 . 0 0 "[ . 1]" 1
488 1 88 LEU QD 1 95 ILE QG 3.200 . 4.500 3.301 3.007 3.622 . 0 0 "[ . 1]" 1
489 1 88 LEU QD 1 96 GLN H 4.000 . 6.000 5.184 5.044 5.410 . 0 0 "[ . 1]" 1
490 1 88 LEU QD 1 98 ALA H 3.400 . 4.800 4.038 3.886 4.250 . 0 0 "[ . 1]" 1
491 1 88 LEU QD 1 99 LEU H 4.100 . 6.000 4.785 4.416 5.006 . 0 0 "[ . 1]" 1
492 1 88 LEU MD1 1 93 GLY H 3.000 . 4.100 3.455 2.933 3.856 . 0 0 "[ . 1]" 1
493 1 88 LEU MD1 1 93 GLY HA2 2.500 . 3.300 2.060 1.922 2.138 . 0 0 "[ . 1]" 1
494 1 88 LEU MD1 1 93 GLY HA3 2.600 . 3.500 3.468 3.341 3.574 0.074 6 0 "[ . 1]" 1
495 1 88 LEU MD1 1 94 ASP H 3.400 . 4.800 2.301 2.098 2.440 . 0 0 "[ . 1]" 1
496 1 88 LEU MD1 1 95 ILE H 3.600 . 5.200 4.032 3.809 4.436 . 0 0 "[ . 1]" 1
497 1 88 LEU MD1 1 95 ILE QG 3.300 . 4.600 3.473 3.108 3.827 . 0 0 "[ . 1]" 1
498 1 88 LEU MD2 1 98 ALA HA 3.500 . 5.000 4.226 4.003 4.514 . 0 0 "[ . 1]" 1
499 1 88 LEU MD2 1 98 ALA MB 2.100 . 2.700 2.056 1.960 2.213 . 0 0 "[ . 1]" 1
500 1 88 LEU HG 1 89 GLN H 3.400 . 4.800 5.108 5.010 5.184 0.384 6 0 "[ . 1]" 1
501 1 88 LEU HG 1 93 GLY H 4.100 . 6.000 6.324 5.601 6.890 0.890 5 5 "[ * + -**]" 1
502 1 88 LEU HG 1 95 ILE QG 3.500 . 5.000 5.491 5.083 6.019 1.019 10 4 "[ * * - +]" 1
503 1 89 GLN H 1 89 GLN HA 2.700 . 3.600 2.822 2.815 2.829 . 0 0 "[ . 1]" 1
504 1 89 GLN H 1 89 GLN HB2 2.600 . 3.400 2.700 2.443 3.002 . 0 0 "[ . 1]" 1
505 1 89 GLN H 1 89 GLN HB3 2.600 . 3.500 2.324 2.099 2.508 . 0 0 "[ . 1]" 1
506 1 89 GLN H 1 89 GLN QG 2.700 . 3.600 3.949 3.778 4.024 0.424 2 0 "[ . 1]" 1
507 1 89 GLN H 1 90 ALA H 2.700 . 3.600 2.612 2.570 2.658 . 0 0 "[ . 1]" 1
508 1 89 GLN H 1 90 ALA MB 2.700 . 6.000 4.283 4.234 4.330 . 0 0 "[ . 1]" 1
509 1 89 GLN H 1 91 THR H 3.800 . 5.600 4.118 4.010 4.366 . 0 0 "[ . 1]" 1
510 1 89 GLN HA 1 89 GLN HB2 2.400 . 3.100 2.383 2.276 2.477 . 0 0 "[ . 1]" 1
511 1 89 GLN HA 1 89 GLN HB3 2.400 . 3.100 3.004 2.954 3.024 . 0 0 "[ . 1]" 1
512 1 89 GLN HA 1 89 GLN QG 2.300 . 3.000 2.624 2.487 2.887 . 0 0 "[ . 1]" 1
513 1 89 GLN HB2 1 89 GLN QG 2.100 . 2.700 2.229 2.126 2.351 . 0 0 "[ . 1]" 1
514 1 89 GLN HB2 1 90 ALA H 3.000 . 4.100 3.980 3.870 4.102 0.002 4 0 "[ . 1]" 1
515 1 89 GLN HB2 1 90 ALA MB 3.500 . 5.100 5.356 5.253 5.459 0.359 8 0 "[ . 1]" 1
516 1 89 GLN HB3 1 89 GLN QG 2.200 . 2.800 2.436 2.330 2.524 . 0 0 "[ . 1]" 1
517 1 89 GLN HB3 1 90 ALA H 2.800 . 3.800 2.711 2.565 2.882 . 0 0 "[ . 1]" 1
518 1 89 GLN HB3 1 90 ALA MB 3.400 . 4.900 4.057 3.892 4.296 . 0 0 "[ . 1]" 1
519 1 89 GLN HB3 1 92 GLY H 4.400 . 6.000 5.449 5.282 5.613 . 0 0 "[ . 1]" 1
520 1 89 GLN QG 1 90 ALA H 3.400 . 4.800 3.565 2.856 3.808 . 0 0 "[ . 1]" 1
521 1 89 GLN QG 1 90 ALA HA 3.300 . 6.000 3.582 2.916 3.949 . 0 0 "[ . 1]" 1
522 1 90 ALA H 1 90 ALA HA 2.700 . 3.600 2.827 2.811 2.841 . 0 0 "[ . 1]" 1
523 1 90 ALA H 1 90 ALA MB 2.300 . 3.000 2.219 2.180 2.237 . 0 0 "[ . 1]" 1
524 1 90 ALA H 1 91 THR HA 4.200 . 6.000 5.259 5.216 5.361 . 0 0 "[ . 1]" 1
525 1 90 ALA H 1 91 THR HG1 3.300 . 4.700 3.819 3.703 3.950 . 0 0 "[ . 1]" 1
526 1 90 ALA H 1 101 LEU QD 3.400 . 6.000 4.863 4.084 5.705 . 0 0 "[ . 1]" 1
527 1 90 ALA HA 1 90 ALA MB 2.000 . 2.500 2.125 2.119 2.129 . 0 0 "[ . 1]" 1
528 1 90 ALA HA 1 91 THR H 3.200 . 4.500 3.515 3.432 3.557 . 0 0 "[ . 1]" 1
529 1 90 ALA HA 1 91 THR HG1 3.400 . 4.800 4.614 4.369 4.711 . 0 0 "[ . 1]" 1
530 1 90 ALA HA 1 92 GLY H 3.800 . 5.600 4.131 3.817 4.434 . 0 0 "[ . 1]" 1
531 1 90 ALA MB 1 91 THR H 2.700 . 3.600 2.630 2.233 2.962 . 0 0 "[ . 1]" 1
532 1 90 ALA MB 1 92 GLY H 3.400 . 4.900 4.340 4.191 4.430 . 0 0 "[ . 1]" 1
533 1 91 THR H 1 91 THR HA 2.800 . 3.800 2.890 2.837 2.945 . 0 0 "[ . 1]" 1
534 1 91 THR H 1 91 THR HG1 2.500 . 3.300 2.070 1.954 2.230 . 0 0 "[ . 1]" 1
535 1 91 THR H 1 92 GLY QA 3.100 . 4.300 4.334 4.150 4.472 0.172 8 0 "[ . 1]" 1
536 1 91 THR H 1 93 GLY H 3.300 . 4.700 4.091 3.779 4.486 . 0 0 "[ . 1]" 1
537 1 91 THR H 1 94 ASP H 3.900 . 5.800 4.608 4.450 4.781 . 0 0 "[ . 1]" 1
538 1 91 THR H 1 98 ALA MB 3.800 . 5.600 4.468 4.086 4.882 . 0 0 "[ . 1]" 1
539 1 91 THR HA 1 91 THR MG 2.100 . 2.700 2.286 2.243 2.363 . 0 0 "[ . 1]" 1
540 1 91 THR HA 1 92 GLY H 2.900 . 3.900 3.377 3.125 3.498 . 0 0 "[ . 1]" 1
541 1 91 THR HA 1 92 GLY QA 3.100 . 4.300 4.202 4.120 4.246 . 0 0 "[ . 1]" 1
542 1 91 THR HA 1 94 ASP HB3 3.600 . 5.200 4.928 4.460 5.248 0.048 9 0 "[ . 1]" 1
543 1 91 THR HA 1 97 ALA MB 2.800 . 6.000 4.115 3.721 4.460 . 0 0 "[ . 1]" 1
544 1 91 THR HB 1 91 THR HG1 2.300 . 3.000 2.065 2.012 2.078 . 0 0 "[ . 1]" 1
545 1 91 THR HB 1 94 ASP HB2 3.000 . 4.100 3.119 2.766 3.568 . 0 0 "[ . 1]" 1
546 1 91 THR HB 1 94 ASP HB3 2.600 . 3.500 2.449 2.052 2.710 . 0 0 "[ . 1]" 1
547 1 91 THR HB 1 97 ALA MB 2.100 . 2.600 2.646 2.318 3.076 0.476 8 0 "[ . 1]" 1
548 1 91 THR HG1 1 92 GLY H 3.200 . 4.400 3.423 3.144 3.776 . 0 0 "[ . 1]" 1
549 1 91 THR HG1 1 94 ASP HB3 3.100 . 4.300 3.010 2.655 3.448 . 0 0 "[ . 1]" 1
550 1 91 THR HG1 1 97 ALA H 3.400 . 4.900 4.073 3.730 4.488 . 0 0 "[ . 1]" 1
551 1 91 THR HG1 1 98 ALA H 2.900 . 3.900 2.829 2.611 3.192 . 0 0 "[ . 1]" 1
552 1 91 THR HG1 1 93 GLY H 3.700 . 5.400 3.749 3.159 4.562 . 0 0 "[ . 1]" 1
553 1 91 THR HG1 1 94 ASP H 3.400 . 4.800 3.131 2.162 3.618 . 0 0 "[ . 1]" 1
554 1 91 THR MG 1 97 ALA HA 2.900 . 4.000 3.842 3.690 3.983 . 0 0 "[ . 1]" 1
555 1 91 THR MG 1 97 ALA MB 2.000 . 2.500 2.085 1.973 2.250 . 0 0 "[ . 1]" 1
556 1 91 THR MG 1 98 ALA HA 2.300 . 2.900 2.321 2.106 2.521 . 0 0 "[ . 1]" 1
557 1 91 THR MG 1 101 LEU H 3.700 . 5.400 4.125 3.940 4.408 . 0 0 "[ . 1]" 1
558 1 91 THR MG 1 101 LEU HB3 3.200 . 4.500 4.092 3.574 4.778 0.278 8 0 "[ . 1]" 1
559 1 92 GLY H 1 92 GLY QA 2.200 . 2.800 2.272 2.230 2.324 . 0 0 "[ . 1]" 1
560 1 92 GLY H 1 93 GLY H 2.800 . 3.700 2.767 2.249 3.534 . 0 0 "[ . 1]" 1
561 1 92 GLY H 1 93 GLY HA2 3.600 . 5.200 4.574 4.332 4.883 . 0 0 "[ . 1]" 1
562 1 92 GLY H 1 94 ASP H 3.700 . 5.400 4.308 3.938 4.809 . 0 0 "[ . 1]" 1
563 1 92 GLY H 1 94 ASP HB3 4.400 . 6.000 5.934 5.551 6.440 0.440 9 0 "[ . 1]" 1
564 1 92 GLY QA 1 93 GLY H 2.800 . 3.800 2.773 2.519 2.917 . 0 0 "[ . 1]" 1
565 1 92 GLY QA 1 94 ASP H 3.600 . 5.300 4.641 4.506 4.971 . 0 0 "[ . 1]" 1
566 1 93 GLY H 1 93 GLY HA2 2.600 . 3.500 2.623 2.369 2.783 . 0 0 "[ . 1]" 1
567 1 93 GLY H 1 93 GLY HA3 2.700 . 3.600 2.901 2.830 2.954 . 0 0 "[ . 1]" 1
568 1 93 GLY H 1 94 ASP H 2.800 . 3.800 2.202 1.984 2.487 . 0 0 "[ . 1]" 1
569 1 93 GLY H 1 94 ASP HA 3.500 . 5.000 4.567 4.366 4.968 . 0 0 "[ . 1]" 1
570 1 93 GLY H 1 94 ASP HB3 3.800 . 5.600 4.234 3.993 4.703 . 0 0 "[ . 1]" 1
571 1 93 GLY H 1 95 ILE QG 3.800 . 5.600 5.133 4.852 5.470 . 0 0 "[ . 1]" 1
572 1 93 GLY HA2 1 94 ASP H 3.000 . 4.100 2.707 2.518 2.834 . 0 0 "[ . 1]" 1
573 1 93 GLY HA3 1 94 ASP H 3.100 . 4.300 3.564 3.537 3.576 . 0 0 "[ . 1]" 1
574 1 94 ASP H 1 94 ASP HA 2.600 . 3.400 2.941 2.914 2.948 . 0 0 "[ . 1]" 1
575 1 94 ASP H 1 94 ASP HB2 2.500 . 3.300 2.998 2.890 3.256 . 0 0 "[ . 1]" 1
576 1 94 ASP H 1 94 ASP HB3 2.500 . 3.300 2.859 2.805 2.925 . 0 0 "[ . 1]" 1
577 1 94 ASP H 1 95 ILE H 3.600 . 5.200 4.361 4.224 4.478 . 0 0 "[ . 1]" 1
578 1 94 ASP H 1 95 ILE QG 3.600 . 5.200 5.302 5.191 5.493 0.293 9 0 "[ . 1]" 1
579 1 94 ASP H 1 96 GLN H 4.100 . 6.000 6.234 6.008 6.566 0.566 10 1 "[ . +]" 1
580 1 94 ASP H 1 97 ALA H 4.000 . 6.000 5.585 5.437 5.875 . 0 0 "[ . 1]" 1
581 1 94 ASP H 1 97 ALA MB 3.000 . 4.100 4.289 4.052 4.513 0.413 8 0 "[ . 1]" 1
582 1 94 ASP H 1 98 ALA H 4.200 . 6.000 4.815 4.602 5.023 . 0 0 "[ . 1]" 1
583 1 94 ASP HA 1 94 ASP HB2 2.200 . 2.800 2.559 2.505 2.614 . 0 0 "[ . 1]" 1
584 1 94 ASP HA 1 94 ASP HB3 2.400 . 3.100 3.014 3.002 3.027 . 0 0 "[ . 1]" 1
585 1 94 ASP HA 1 95 ILE H 2.300 . 2.900 2.210 2.137 2.348 . 0 0 "[ . 1]" 1
586 1 94 ASP HA 1 95 ILE QG 3.600 . 5.200 3.699 3.496 3.987 . 0 0 "[ . 1]" 1
587 1 94 ASP HA 1 96 GLN H 3.100 . 4.300 4.440 4.123 4.796 0.496 10 0 "[ . 1]" 1
588 1 94 ASP HA 1 97 ALA H 3.300 . 4.700 4.737 4.535 4.911 0.211 10 0 "[ . 1]" 1
589 1 94 ASP HA 1 97 ALA MB 3.700 . 5.400 4.545 4.387 4.789 . 0 0 "[ . 1]" 1
590 1 94 ASP HA 1 98 ALA H 3.700 . 5.400 5.192 5.105 5.296 . 0 0 "[ . 1]" 1
591 1 94 ASP HB2 1 95 ILE H 3.200 . 4.500 4.205 3.985 4.365 . 0 0 "[ . 1]" 1
592 1 94 ASP HB2 1 97 ALA H 3.700 . 5.500 4.459 4.368 4.616 . 0 0 "[ . 1]" 1
593 1 94 ASP HB2 1 97 ALA MB 2.600 . 3.400 3.277 3.050 3.581 0.181 7 0 "[ . 1]" 1
594 1 94 ASP HB2 1 98 ALA H 4.300 . 6.000 5.145 4.758 5.404 . 0 0 "[ . 1]" 1
595 1 94 ASP HB3 1 95 ILE H 3.600 . 5.200 3.865 3.472 4.066 . 0 0 "[ . 1]" 1
596 1 94 ASP HB3 1 97 ALA H 3.500 . 5.000 3.159 3.060 3.285 . 0 0 "[ . 1]" 1
597 1 94 ASP HB3 1 97 ALA MB 2.400 . 3.100 2.010 1.929 2.236 . 0 0 "[ . 1]" 1
598 1 94 ASP HB3 1 98 ALA H 3.900 . 5.800 3.434 3.010 3.742 . 0 0 "[ . 1]" 1
599 1 95 ILE H 1 95 ILE HA 2.800 . 3.800 2.883 2.841 2.927 . 0 0 "[ . 1]" 1
600 1 95 ILE H 1 95 ILE HB 2.500 . 3.300 2.436 2.311 2.544 . 0 0 "[ . 1]" 1
601 1 95 ILE H 1 95 ILE MD 2.800 . 3.800 3.506 3.349 3.770 . 0 0 "[ . 1]" 1
602 1 95 ILE H 1 95 ILE QG 2.900 . 3.800 2.415 2.220 2.699 . 0 0 "[ . 1]" 1
603 1 95 ILE H 1 96 GLN H 2.600 . 3.500 2.597 2.378 2.769 . 0 0 "[ . 1]" 1
604 1 95 ILE H 1 96 GLN HA 3.800 . 5.700 5.186 5.027 5.338 . 0 0 "[ . 1]" 1
605 1 95 ILE H 1 96 GLN HB2 3.500 . 5.000 4.574 4.286 5.065 0.065 6 0 "[ . 1]" 1
606 1 95 ILE H 1 96 GLN QG 3.600 . 5.200 5.127 4.300 6.213 1.013 8 2 "[ .- + 1]" 1
607 1 95 ILE HA 1 95 ILE HB 2.400 . 3.100 3.017 3.003 3.025 . 0 0 "[ . 1]" 1
608 1 95 ILE HA 1 95 ILE MD 2.200 . 2.800 2.077 1.977 2.201 . 0 0 "[ . 1]" 1
609 1 95 ILE HA 1 95 ILE QG 2.200 . 2.800 2.861 2.727 2.944 0.144 10 0 "[ . 1]" 1
610 1 95 ILE HA 1 95 ILE MG 2.600 . 3.400 2.470 2.406 2.574 . 0 0 "[ . 1]" 1
611 1 95 ILE HA 1 96 GLN H 3.200 . 4.500 3.568 3.548 3.591 . 0 0 "[ . 1]" 1
612 1 95 ILE HA 1 97 ALA H 3.800 . 5.600 4.682 4.592 4.841 . 0 0 "[ . 1]" 1
613 1 95 ILE HA 1 98 ALA H 3.000 . 4.200 3.650 3.366 3.925 . 0 0 "[ . 1]" 1
614 1 95 ILE HA 1 98 ALA MB 2.200 . 6.000 2.712 2.351 3.041 . 0 0 "[ . 1]" 1
615 1 95 ILE HA 1 99 LEU H 3.500 . 5.000 4.407 4.267 4.525 . 0 0 "[ . 1]" 1
616 1 95 ILE HB 1 95 ILE MD 2.300 . 6.000 3.234 3.223 3.240 . 0 0 "[ . 1]" 1
617 1 95 ILE HB 1 95 ILE QG 2.400 . 3.100 2.186 2.184 2.188 . 0 0 "[ . 1]" 1
618 1 95 ILE HB 1 95 ILE MG 2.300 . 3.000 2.124 2.099 2.130 . 0 0 "[ . 1]" 1
619 1 95 ILE HB 1 96 GLN H 2.700 . 3.600 2.367 2.122 2.619 . 0 0 "[ . 1]" 1
620 1 95 ILE HB 1 97 ALA H 3.800 . 5.600 4.932 4.665 5.131 . 0 0 "[ . 1]" 1
621 1 95 ILE HB 1 98 ALA H 3.800 . 5.600 5.422 5.271 5.562 . 0 0 "[ . 1]" 1
622 1 95 ILE MD 1 96 GLN H 2.800 . 6.000 4.620 4.541 4.684 . 0 0 "[ . 1]" 1
623 1 95 ILE MD 1 96 GLN QB 3.200 . 6.000 6.032 5.750 6.201 0.201 7 0 "[ . 1]" 1
624 1 95 ILE MD 1 97 ALA H 3.300 . 6.000 5.969 5.886 6.105 0.105 9 0 "[ . 1]" 1
625 1 95 ILE QG 1 95 ILE MG 2.500 . 3.300 2.311 2.267 2.352 . 0 0 "[ . 1]" 1
626 1 95 ILE QG 1 96 GLN H 3.300 . 4.700 3.976 3.804 4.206 . 0 0 "[ . 1]" 1
627 1 95 ILE MG 1 96 GLN HA 2.900 . 4.000 3.145 3.000 3.363 . 0 0 "[ . 1]" 1
628 1 96 GLN H 1 96 GLN HA 2.600 . 3.400 2.803 2.787 2.814 . 0 0 "[ . 1]" 1
629 1 96 GLN H 1 96 GLN HB2 2.300 . 2.900 2.284 2.097 2.537 . 0 0 "[ . 1]" 1
630 1 96 GLN H 1 96 GLN QG 2.800 . 3.800 2.963 2.448 4.041 0.241 8 0 "[ . 1]" 1
631 1 96 GLN H 1 97 ALA H 2.400 . 3.100 2.758 2.719 2.796 . 0 0 "[ . 1]" 1
632 1 96 GLN H 1 97 ALA MB 3.200 . 4.500 4.442 4.379 4.475 . 0 0 "[ . 1]" 1
633 1 96 GLN HA 1 96 GLN QB 2.200 . 2.800 2.449 2.332 2.521 . 0 0 "[ . 1]" 1
634 1 96 GLN HA 1 96 GLN QG 2.500 . 3.300 2.571 2.262 2.840 . 0 0 "[ . 1]" 1
635 1 96 GLN HA 1 97 ALA H 3.100 . 4.300 3.556 3.547 3.574 . 0 0 "[ . 1]" 1
636 1 96 GLN HA 1 99 LEU H 3.200 . 4.500 3.483 3.263 3.742 . 0 0 "[ . 1]" 1
637 1 96 GLN HA 1 99 LEU QB 2.800 . 3.400 2.974 2.686 3.417 0.017 4 0 "[ . 1]" 1
638 1 96 GLN HA 1 99 LEU QD 2.300 . 3.000 2.630 2.120 3.615 0.615 8 1 "[ . + 1]" 1
639 1 96 GLN QB 1 98 ALA H 3.600 . 5.200 4.263 4.115 4.405 . 0 0 "[ . 1]" 1
640 1 96 GLN HB2 1 97 ALA H 2.600 . 3.500 2.948 2.509 3.867 0.367 6 0 "[ . 1]" 1
641 1 96 GLN HG2 1 99 LEU MD1 2.900 . 3.900 3.986 3.274 5.388 1.488 8 2 "[ .- + 1]" 1
642 1 97 ALA H 1 97 ALA HA 2.700 . 3.600 2.828 2.796 2.854 . 0 0 "[ . 1]" 1
643 1 97 ALA H 1 97 ALA MB 2.400 . 3.100 2.231 2.152 2.254 . 0 0 "[ . 1]" 1
644 1 97 ALA H 1 98 ALA H 2.600 . 3.500 2.602 2.511 2.714 . 0 0 "[ . 1]" 1
645 1 97 ALA H 1 98 ALA MB 3.000 . 4.200 4.289 4.210 4.379 0.179 9 0 "[ . 1]" 1
646 1 97 ALA HA 1 97 ALA MB 2.000 . 2.500 2.123 2.107 2.129 . 0 0 "[ . 1]" 1
647 1 97 ALA HA 1 98 ALA H 3.100 . 4.300 3.496 3.465 3.516 . 0 0 "[ . 1]" 1
648 1 97 ALA HA 1 100 GLU H 3.300 . 4.600 3.393 3.216 3.537 . 0 0 "[ . 1]" 1
649 1 97 ALA HA 1 100 GLU HB2 2.400 . 3.100 2.927 2.261 3.416 0.316 1 0 "[ . 1]" 1
650 1 97 ALA MB 1 98 ALA H 2.600 . 3.500 2.737 2.608 2.876 . 0 0 "[ . 1]" 1
651 1 97 ALA MB 1 98 ALA HA 3.300 . 4.700 3.866 3.791 3.922 . 0 0 "[ . 1]" 1
652 1 97 ALA MB 1 101 LEU QD 2.100 . 6.000 3.626 2.734 4.877 . 0 0 "[ . 1]" 1
653 1 98 ALA H 1 98 ALA HA 2.700 . 3.600 2.828 2.807 2.841 . 0 0 "[ . 1]" 1
654 1 98 ALA H 1 98 ALA MB 2.400 . 3.100 2.242 2.224 2.255 . 0 0 "[ . 1]" 1
655 1 98 ALA H 1 99 LEU H 2.700 . 3.600 2.595 2.530 2.700 . 0 0 "[ . 1]" 1
656 1 98 ALA H 1 99 LEU QD 3.000 . 4.100 4.354 3.948 4.618 0.518 4 3 "[ -+. *1]" 1
657 1 98 ALA H 1 100 GLU H 3.500 . 5.000 4.042 3.908 4.208 . 0 0 "[ . 1]" 1
658 1 98 ALA HA 1 98 ALA MB 2.100 . 2.600 2.131 2.127 2.134 . 0 0 "[ . 1]" 1
659 1 98 ALA HA 1 101 LEU H 3.100 . 4.300 3.291 3.107 3.593 . 0 0 "[ . 1]" 1
660 1 98 ALA HA 1 101 LEU HB2 2.700 . 3.600 2.568 2.167 3.077 . 0 0 "[ . 1]" 1
661 1 98 ALA HA 1 101 LEU HB3 2.800 . 6.000 3.688 2.591 4.721 . 0 0 "[ . 1]" 1
662 1 98 ALA HA 1 101 LEU QD 2.600 . 3.500 3.357 2.572 3.901 0.401 5 0 "[ . 1]" 1
663 1 98 ALA HA 1 102 ILE QG 3.100 . 4.300 4.201 3.820 5.091 0.791 5 1 "[ + 1]" 1
664 1 98 ALA MB 1 99 LEU H 2.600 . 3.400 2.536 2.354 2.695 . 0 0 "[ . 1]" 1
665 1 98 ALA MB 1 99 LEU QD 2.400 . 3.100 3.135 2.734 3.567 0.467 4 0 "[ . 1]" 1
666 1 98 ALA MB 1 100 GLU H 3.500 . 5.000 4.453 4.342 4.598 . 0 0 "[ . 1]" 1
667 1 98 ALA MB 1 101 LEU H 3.400 . 4.900 4.440 4.329 4.609 . 0 0 "[ . 1]" 1
668 1 99 LEU H 1 99 LEU HA 2.800 . 3.800 2.810 2.790 2.828 . 0 0 "[ . 1]" 1
669 1 99 LEU H 1 99 LEU QB 2.500 . 3.300 2.343 2.093 2.551 . 0 0 "[ . 1]" 1
670 1 99 LEU H 1 99 LEU QD 2.600 . 3.400 2.745 2.321 3.053 . 0 0 "[ . 1]" 1
671 1 99 LEU H 1 99 LEU HG 2.600 . 6.000 2.944 2.045 4.223 . 0 0 "[ . 1]" 1
672 1 99 LEU H 1 100 GLU H 2.700 . 3.600 2.639 2.576 2.736 . 0 0 "[ . 1]" 1
673 1 99 LEU HA 1 99 LEU QB 2.300 . 3.000 2.416 2.328 2.523 . 0 0 "[ . 1]" 1
674 1 99 LEU HA 1 99 LEU QD 2.100 . 2.600 2.065 1.869 2.337 . 0 0 "[ . 1]" 1
675 1 99 LEU HA 1 99 LEU HG 3.000 . 4.100 3.142 2.486 3.665 . 0 0 "[ . 1]" 1
676 1 99 LEU HA 1 100 GLU H 3.300 . 4.700 3.511 3.484 3.540 . 0 0 "[ . 1]" 1
677 1 99 LEU HA 1 102 ILE H 3.100 . 4.300 3.534 3.271 3.856 . 0 0 "[ . 1]" 1
678 1 99 LEU HA 1 102 ILE HB 2.200 . 2.800 3.339 2.594 5.389 2.589 5 4 "[**- + 1]" 1
679 1 99 LEU HA 1 102 ILE MD 3.000 . 4.100 2.568 2.063 3.019 . 0 0 "[ . 1]" 1
680 1 99 LEU HA 1 103 PHE H 3.400 . 4.900 4.324 4.089 4.899 . 0 0 "[ . 1]" 1
681 1 99 LEU QB 1 99 LEU MD2 2.000 . 6.000 2.079 2.060 2.114 . 0 0 "[ . 1]" 1
682 1 99 LEU QB 1 99 LEU QD 2.300 . 2.900 1.969 1.931 2.049 . 0 0 "[ . 1]" 1
683 1 99 LEU QB 1 99 LEU HG 2.100 . 2.700 2.316 2.171 2.399 . 0 0 "[ . 1]" 1
684 1 99 LEU QB 1 100 GLU H 3.000 . 3.800 2.645 2.468 2.813 . 0 0 "[ . 1]" 1
685 1 99 LEU QB 1 100 GLU QG 3.100 . 4.300 3.544 3.015 5.175 0.875 7 1 "[ . + 1]" 1
686 1 99 LEU QD 1 99 LEU HG 2.000 . 2.500 1.893 1.889 1.895 . 0 0 "[ . 1]" 1
687 1 99 LEU QD 1 100 GLU H 3.200 . 4.500 4.025 3.956 4.126 . 0 0 "[ . 1]" 1
688 1 99 LEU HG 1 100 GLU H 3.200 . 4.500 4.230 3.824 4.619 0.119 8 0 "[ . 1]" 1
689 1 100 GLU H 1 100 GLU HA 2.700 . 3.600 2.840 2.802 2.865 . 0 0 "[ . 1]" 1
690 1 100 GLU H 1 100 GLU HB2 2.500 . 3.300 2.428 2.103 2.701 . 0 0 "[ . 1]" 1
691 1 100 GLU H 1 102 ILE HA 4.000 . 6.000 6.940 6.667 7.214 1.214 5 10 [****+****-] 1
692 1 100 GLU HA 1 100 GLU QB 2.000 . 2.500 2.394 2.284 2.522 0.022 8 0 "[ . 1]" 1
693 1 100 GLU HA 1 100 GLU QG 2.500 . 3.300 2.441 2.168 2.584 . 0 0 "[ . 1]" 1
694 1 100 GLU HA 1 103 PHE H 3.200 . 4.500 3.411 3.310 3.598 . 0 0 "[ . 1]" 1
695 1 100 GLU HA 1 103 PHE HB2 3.300 . 4.600 3.132 2.527 3.570 . 0 0 "[ . 1]" 1
696 1 100 GLU HA 1 103 PHE HB3 2.900 . 4.000 2.829 2.458 3.509 . 0 0 "[ . 1]" 1
697 1 100 GLU QB 1 101 LEU QD 2.800 . 3.800 3.459 2.724 4.603 0.803 5 2 "[- + 1]" 1
698 1 100 GLU HB2 1 101 LEU H 2.800 . 3.800 2.933 2.594 3.812 0.012 7 0 "[ . 1]" 1
699 1 101 LEU H 1 101 LEU HA 2.700 . 3.600 2.826 2.798 2.855 . 0 0 "[ . 1]" 1
700 1 101 LEU H 1 101 LEU HB2 2.500 . 3.300 2.220 2.056 2.413 . 0 0 "[ . 1]" 1
701 1 101 LEU H 1 101 LEU HB3 2.600 . 3.400 3.246 2.615 3.589 0.189 3 0 "[ . 1]" 1
702 1 101 LEU H 1 101 LEU QD 3.000 . 4.200 2.964 2.359 3.652 . 0 0 "[ . 1]" 1
703 1 101 LEU H 1 102 ILE H 2.800 . 3.800 2.640 2.527 2.792 . 0 0 "[ . 1]" 1
704 1 101 LEU H 1 102 ILE HA 4.000 . 6.000 5.254 5.156 5.372 . 0 0 "[ . 1]" 1
705 1 101 LEU H 1 102 ILE QG 3.400 . 4.900 4.064 3.928 4.253 . 0 0 "[ . 1]" 1
706 1 101 LEU HA 1 101 LEU HB2 2.600 . 3.400 2.846 2.539 3.010 . 0 0 "[ . 1]" 1
707 1 101 LEU HA 1 101 LEU HB3 2.300 . 3.000 2.780 2.526 3.018 0.018 5 0 "[ . 1]" 1
708 1 101 LEU HA 1 101 LEU QD 2.100 . 2.600 1.887 1.812 1.940 . 0 0 "[ . 1]" 1
709 1 101 LEU HA 1 101 LEU HG 3.000 . 4.100 3.558 3.164 3.692 . 0 0 "[ . 1]" 1
710 1 101 LEU HA 1 102 ILE H 3.700 . 5.400 3.532 3.489 3.562 . 0 0 "[ . 1]" 1
711 1 101 LEU HA 1 104 ALA H 3.300 . 4.600 3.502 3.181 4.065 . 0 0 "[ . 1]" 1
712 1 101 LEU HA 1 104 ALA MB 2.300 . 6.000 2.947 2.424 4.157 . 0 0 "[ . 1]" 1
713 1 101 LEU HB2 1 101 LEU QD 2.500 . 3.300 2.342 2.123 2.468 . 0 0 "[ . 1]" 1
714 1 101 LEU HB3 1 101 LEU QD 2.700 . 2.800 2.262 2.092 2.529 . 0 0 "[ . 1]" 1
715 1 101 LEU HB3 1 102 ILE H 3.100 . 4.300 3.022 2.324 3.574 . 0 0 "[ . 1]" 1
716 1 101 LEU QD 1 102 ILE H 3.100 . 4.300 3.798 3.147 4.166 . 0 0 "[ . 1]" 1
717 1 101 LEU QD 1 104 ALA H 3.500 . 6.000 4.296 3.995 4.584 . 0 0 "[ . 1]" 1
718 1 101 LEU QD 1 105 GLY H 3.900 . 5.800 4.262 3.102 5.437 . 0 0 "[ . 1]" 1
719 1 101 LEU QD 1 106 GLY H 3.600 . 5.200 3.460 2.505 4.393 . 0 0 "[ . 1]" 1
720 1 101 LEU QD 1 107 ALA H 3.500 . 5.100 4.010 3.201 4.771 . 0 0 "[ . 1]" 1
721 1 101 LEU QD 1 107 ALA HA 3.000 . 4.100 2.872 2.052 4.175 0.075 4 0 "[ . 1]" 1
722 1 101 LEU QD 1 108 PRO HD2 3.300 . 4.700 3.494 2.472 5.289 0.589 5 1 "[ + 1]" 1
723 1 101 LEU QD 1 108 PRO HD3 3.300 . 4.600 3.074 2.173 4.555 . 0 0 "[ . 1]" 1
724 1 102 ILE H 1 102 ILE HA 3.000 . 4.100 2.833 2.816 2.863 . 0 0 "[ . 1]" 1
725 1 102 ILE H 1 102 ILE HB 2.300 . 3.000 2.682 2.463 3.642 0.642 5 1 "[ + 1]" 1
726 1 102 ILE H 1 102 ILE MD 2.900 . 4.000 3.545 3.439 3.701 . 0 0 "[ . 1]" 1
727 1 102 ILE H 1 102 ILE QG 2.600 . 3.400 2.051 1.843 2.180 . 0 0 "[ . 1]" 1
728 1 102 ILE H 1 104 ALA H 3.800 . 5.600 4.045 3.881 4.345 . 0 0 "[ . 1]" 1
729 1 102 ILE HA 1 102 ILE HB 2.800 . 3.800 2.966 2.426 3.029 . 0 0 "[ . 1]" 1
730 1 102 ILE HA 1 102 ILE MD 2.300 . 6.000 3.897 3.835 4.182 . 0 0 "[ . 1]" 1
731 1 102 ILE HA 1 102 ILE QG 2.200 . 2.800 2.539 2.387 3.320 0.520 5 1 "[ + 1]" 1
732 1 102 ILE HA 1 102 ILE MG 2.500 . 3.300 2.383 2.299 2.453 . 0 0 "[ . 1]" 1
733 1 102 ILE HA 1 104 ALA H 3.700 . 5.400 4.123 3.732 4.379 . 0 0 "[ . 1]" 1
734 1 102 ILE HA 1 105 GLY H 3.800 . 5.600 3.317 2.876 3.972 . 0 0 "[ . 1]" 1
735 1 102 ILE HA 1 106 GLY H 3.700 . 5.400 3.861 2.842 6.085 0.685 7 1 "[ . + 1]" 1
736 1 102 ILE HB 1 102 ILE MD 2.000 . 2.500 2.392 2.346 2.421 . 0 0 "[ . 1]" 1
737 1 102 ILE HB 1 102 ILE MG 2.300 . 3.000 2.129 2.123 2.132 . 0 0 "[ . 1]" 1
738 1 102 ILE HB 1 103 PHE H 2.500 . 3.300 2.811 2.537 4.125 0.825 5 1 "[ + 1]" 1
739 1 102 ILE HB 1 103 PHE HA 3.600 . 5.200 4.288 4.039 4.747 . 0 0 "[ . 1]" 1
740 1 102 ILE MD 1 103 PHE H 3.000 . 4.100 4.523 4.284 4.754 0.654 6 3 "[ -.+* 1]" 1
741 1 102 ILE MD 1 103 PHE HA 2.900 . 6.000 5.757 4.677 5.997 . 0 0 "[ . 1]" 1
742 1 102 ILE QG 1 102 ILE MG 1.900 . 2.400 2.305 2.279 2.326 . 0 0 "[ . 1]" 1
743 1 102 ILE QG 1 103 PHE H 3.000 . 4.100 3.810 2.603 4.094 . 0 0 "[ . 1]" 1
744 1 103 PHE H 1 103 PHE HA 2.800 . 3.800 2.820 2.792 2.875 . 0 0 "[ . 1]" 1
745 1 103 PHE H 1 103 PHE HB2 2.700 . 3.600 2.391 2.261 2.531 . 0 0 "[ . 1]" 1
746 1 103 PHE H 1 103 PHE HB3 2.500 . 3.300 2.651 2.498 2.815 . 0 0 "[ . 1]" 1
747 1 103 PHE H 1 104 ALA H 2.700 . 3.600 2.605 2.397 2.736 . 0 0 "[ . 1]" 1
748 1 103 PHE HA 1 103 PHE HB2 2.400 . 3.100 2.536 2.463 2.641 . 0 0 "[ . 1]" 1
749 1 103 PHE HA 1 103 PHE HB3 2.500 . 3.300 3.020 2.998 3.031 . 0 0 "[ . 1]" 1
750 1 103 PHE HA 1 104 ALA H 3.100 . 4.300 3.497 3.416 3.534 . 0 0 "[ . 1]" 1
751 1 103 PHE HA 1 105 GLY H 3.900 . 5.800 4.402 3.859 5.015 . 0 0 "[ . 1]" 1
752 1 103 PHE HB2 1 104 ALA H 3.200 . 4.500 3.877 3.687 3.987 . 0 0 "[ . 1]" 1
753 1 103 PHE HB3 1 104 ALA H 3.100 . 4.300 2.810 2.582 3.140 . 0 0 "[ . 1]" 1
754 1 104 ALA H 1 104 ALA HA 2.600 . 3.400 2.895 2.864 2.944 . 0 0 "[ . 1]" 1
755 1 104 ALA H 1 104 ALA MB 2.200 . 2.800 2.287 2.250 2.383 . 0 0 "[ . 1]" 1
756 1 104 ALA H 1 105 GLY H 2.800 . 3.800 2.377 2.178 2.651 . 0 0 "[ . 1]" 1
757 1 104 ALA H 1 105 GLY HA2 3.100 . 4.300 4.623 4.422 4.804 0.504 7 1 "[ . + 1]" 1
758 1 104 ALA HA 1 104 ALA MB 2.100 . 2.600 2.128 2.125 2.132 . 0 0 "[ . 1]" 1
759 1 104 ALA HA 1 105 GLY H 2.800 . 3.800 3.448 3.209 3.572 . 0 0 "[ . 1]" 1
760 1 104 ALA MB 1 105 GLY H 3.000 . 4.100 2.768 2.251 3.364 . 0 0 "[ . 1]" 1
761 1 104 ALA MB 1 106 GLY H 3.200 . 4.500 3.426 2.589 5.363 0.863 7 1 "[ . + 1]" 1
762 1 105 GLY H 1 105 GLY HA2 2.700 . 3.600 2.359 2.294 2.523 . 0 0 "[ . 1]" 1
763 1 105 GLY H 1 105 GLY HA3 2.600 . 3.400 2.897 2.834 2.957 . 0 0 "[ . 1]" 1
764 1 106 GLY H 1 106 GLY HA3 2.400 . 3.100 2.872 2.583 2.954 . 0 0 "[ . 1]" 1
765 1 106 GLY HA3 1 107 ALA H 2.600 . 3.400 2.712 2.177 3.449 0.049 7 0 "[ . 1]" 1
766 1 107 ALA H 1 107 ALA MB 2.700 . 3.600 2.441 2.246 2.825 . 0 0 "[ . 1]" 1
767 1 107 ALA HA 1 107 ALA MB 2.300 . 2.900 2.129 2.122 2.136 . 0 0 "[ . 1]" 1
768 1 107 ALA HA 1 108 PRO HD2 2.600 . 3.400 2.311 1.981 2.584 . 0 0 "[ . 1]" 1
769 1 107 ALA HA 1 108 PRO QD 2.400 . 3.100 1.954 1.843 2.113 . 0 0 "[ . 1]" 1
770 1 107 ALA HA 1 108 PRO HD3 2.600 . 3.500 2.179 1.887 2.509 . 0 0 "[ . 1]" 1
771 1 107 ALA MB 1 108 PRO HD2 3.500 . 5.000 3.242 2.665 3.930 . 0 0 "[ . 1]" 1
772 1 107 ALA MB 1 108 PRO HD3 3.000 . 4.100 3.746 3.555 4.062 . 0 0 "[ . 1]" 1
773 1 108 PRO HA 1 108 PRO HB3 3.000 . 4.100 2.291 2.271 2.315 . 0 0 "[ . 1]" 1
774 1 108 PRO HB2 1 108 PRO HD2 3.500 . 5.000 3.581 2.930 4.043 . 0 0 "[ . 1]" 1
775 1 108 PRO HB2 1 108 PRO HD3 3.600 . 5.200 3.939 3.865 4.017 . 0 0 "[ . 1]" 1
776 1 108 PRO HD2 1 108 PRO HG3 2.500 . 3.300 2.846 2.697 2.997 . 0 0 "[ . 1]" 1
777 1 108 PRO HD3 1 108 PRO QG 2.500 . 3.300 2.201 2.181 2.232 . 0 0 "[ . 1]" 1
stop_
save_