NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408034 |
1yo4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yo4
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 557
_Distance_constraint_stats_list.Viol_count 2063
_Distance_constraint_stats_list.Viol_total 59305.500
_Distance_constraint_stats_list.Viol_max 9.041
_Distance_constraint_stats_list.Viol_rms 1.9884
_Distance_constraint_stats_list.Viol_average_all_restraints 1.0647
_Distance_constraint_stats_list.Viol_average_violations_only 2.8747
_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 4 LEU 126.389 4.312 4 10 [***+*-****]
1 5 TYR 56.694 3.336 2 10 [*+********]
1 6 HIS 227.374 6.583 7 10 [******+-**]
1 7 TYR 271.891 7.106 7 10 [******+*-*]
1 8 GLN 153.784 6.474 5 10 [****+***-*]
1 9 GLU 206.726 4.906 1 10 [+*********]
1 10 CYS 339.048 7.578 3 10 [**+******-]
1 11 VAL 98.447 4.298 7 10 [******+-**]
1 12 ARG 161.924 5.956 10 10 [****-****+]
1 13 GLY 134.689 6.832 10 10 [****-****+]
1 14 THR 57.053 3.659 10 10 [****-****+]
1 15 THR 434.354 9.041 6 10 [*****+*-**]
1 16 VAL 411.390 7.481 7 10 [*****-+***]
1 17 LEU 136.531 6.793 9 10 [*******-+*]
1 18 LEU 316.200 7.306 9 10 [********+*]
1 19 LYS 101.922 6.558 8 10 [*****-*+**]
1 20 GLU 91.050 4.581 6 10 [*****+*-**]
1 21 PRO 277.095 8.632 3 10 [**+**-****]
1 22 CYS 87.095 5.090 4 10 [***+-*****]
1 23 PRO 0.000 0.000 . 0 "[ . 1]"
1 24 SER 36.185 4.319 2 10 [*+**-*****]
1 25 GLY 37.687 4.775 7 10 [*****-+***]
1 26 THR 150.428 7.730 8 10 [******-+**]
1 27 TYR 102.002 6.448 8 10 [******-+**]
1 28 GLU 218.155 8.206 8 10 [*-*****+**]
1 29 GLY 0.000 0.000 . 0 "[ . 1]"
1 30 ASN 0.000 0.000 . 0 "[ . 1]"
1 31 SER 2.435 0.485 8 0 "[ . 1]"
1 32 PRO 2.435 0.485 8 0 "[ . 1]"
1 33 PHE 0.621 0.223 2 0 "[ . 1]"
1 34 HIS 118.558 4.470 4 10 [***+*-****]
1 35 PRO 189.066 6.506 5 10 [-***+*****]
1 36 LEU 21.101 1.891 5 10 [****+***-*]
1 37 ALA 0.181 0.109 10 0 "[ . 1]"
1 38 ASP 9.385 1.495 1 8 "[+***.* *-*]"
1 39 ASN 33.614 2.899 5 10 [****+***-*]
1 40 LYS 241.451 6.574 5 10 [****+***-*]
1 41 PHE 320.964 7.306 9 10 [********+*]
1 42 ALA 291.544 9.041 6 10 [*****+****]
1 43 LEU 310.924 8.462 4 10 [***+*-****]
1 44 THR 164.076 6.404 4 10 [**-+******]
1 45 CYS 438.869 7.578 3 10 [*-+*******]
1 46 THR 102.028 7.456 10 10 [*******-*+]
1 47 SER 216.018 6.578 7 10 [***-**+***]
1 48 THR 137.005 8.238 7 10 [*-****+***]
1 49 HIS 181.934 8.088 2 10 [*+***-****]
1 50 PHE 286.807 8.770 2 10 [*+***-****]
1 51 ALA 271.056 8.206 8 10 [***-***+**]
1 52 PHE 474.652 8.184 2 10 [*+***-****]
1 53 ALA 213.813 7.730 8 10 [******-+**]
1 54 CYS 341.104 5.090 4 10 [***+****-*]
1 55 ALA 58.701 4.319 2 10 [*+**-*****]
1 56 ASP 97.352 3.624 7 10 [****-*+***]
1 57 GLY 58.225 4.552 6 10 [****-+****]
1 58 THR 64.083 4.392 9 10 [****-***+*]
1 59 ARG 168.211 6.510 9 10 [****-***+*]
1 60 HIS 622.322 8.632 3 10 [**+**-****]
1 61 THR 305.428 7.795 2 10 [*+***-****]
1 62 TYR 262.151 8.770 2 10 [*+**-*****]
1 63 GLN 260.570 6.891 7 10 [******+***]
1 64 LEU 454.714 8.238 7 10 [******+***]
1 65 ARG 330.953 7.106 7 10 [******+**-]
1 66 ALA 123.162 3.464 4 10 [***+*****-]
1 67 ARG 153.357 4.228 4 10 [***+-*****]
1 68 SER 13.168 1.828 6 8 "[* ***+*- *]"
1 69 VAL 17.443 2.980 7 8 "[* * **+-**]"
1 70 SER 0.000 0.000 . 0 "[ . 1]"
1 71 PRO 1.391 0.705 8 2 "[ - + 1]"
1 72 LYS 1.391 0.705 8 2 "[ - + 1]"
1 73 LEU 0.289 0.268 8 0 "[ . 1]"
1 74 PHE 86.424 6.438 7 9 "[**-***+ **]"
1 75 ILE 1.284 0.235 8 0 "[ . 1]"
1 76 ARG 0.872 0.234 7 0 "[ . 1]"
1 77 GLN 7.001 1.576 2 5 "[ + ** - *]"
1 78 GLU 50.285 6.438 7 8 "[****. +-**]"
1 79 GLU 22.924 3.082 9 8 "[* **.**-+*]"
1 80 VAL 35.651 5.967 9 6 "[ *-*. * +*]"
1 81 GLN 23.620 4.356 6 9 "[*****+- **]"
1 82 GLN 41.051 6.086 8 10 [**-****+**]
1 83 GLU 27.903 4.356 6 9 "[***-*+* **]"
1 84 LEU 19.619 2.181 4 10 [***+******]
1 85 TYR 0.691 0.567 2 1 "[ + . 1]"
1 86 SER 53.884 6.086 8 10 [*****-*+**]
1 87 ARG 0.900 0.567 2 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 4 LEU H 1 4 LEU QB 2.400 . 3.100 2.748 2.438 3.055 . 0 0 "[ . 1]" 1
2 1 4 LEU H 1 60 HIS HA 3.300 . 4.700 7.222 6.568 7.689 2.989 7 10 [******+**-] 1
3 1 4 LEU H 1 61 THR H 3.000 . 4.100 7.787 7.019 8.176 4.076 7 10 [******+**-] 1
4 1 4 LEU HA 1 4 LEU QB 2.700 . 3.600 2.287 2.146 2.511 . 0 0 "[ . 1]" 1
5 1 4 LEU HA 1 5 TYR H 2.300 . 2.900 2.149 2.106 2.237 . 0 0 "[ . 1]" 1
6 1 4 LEU HA 1 5 TYR QB 3.500 . 5.000 4.319 4.032 4.509 . 0 0 "[ . 1]" 1
7 1 4 LEU QB 1 5 TYR H 3.200 . 4.500 3.466 2.759 3.896 . 0 0 "[ . 1]" 1
8 1 4 LEU QB 1 59 ARG H 3.800 . 5.600 9.031 8.314 9.912 4.312 4 10 [***+-*****] 1
9 1 4 LEU QB 1 60 HIS HA 2.800 . 3.800 5.781 4.504 6.555 2.755 7 10 [******+**-] 1
10 1 4 LEU QB 1 61 THR H 3.500 . 5.000 5.949 4.305 6.815 1.815 1 7 "[+***.-** 1]" 1
11 1 5 TYR H 1 5 TYR QB 2.500 . 3.000 2.445 2.307 2.615 . 0 0 "[ . 1]" 1
12 1 5 TYR H 1 6 HIS H 3.500 . 5.100 4.145 3.769 4.477 . 0 0 "[ . 1]" 1
13 1 5 TYR HA 1 5 TYR QB 2.500 . 3.300 2.398 2.336 2.495 . 0 0 "[ . 1]" 1
14 1 5 TYR HA 1 6 HIS H 2.100 . 2.700 2.182 2.116 2.320 . 0 0 "[ . 1]" 1
15 1 5 TYR HA 1 6 HIS HD2 3.100 . 4.300 6.347 5.348 7.122 2.822 7 10 [**-***+***] 1
16 1 5 TYR HA 1 60 HIS QB 3.400 . 4.900 5.012 4.751 5.259 0.359 2 0 "[ . 1]" 1
17 1 5 TYR HA 1 61 THR H 2.900 . 4.000 7.166 6.996 7.336 3.336 2 10 [*+****-***] 1
18 1 5 TYR QB 1 6 HIS H 3.200 . 4.500 3.518 3.162 3.836 . 0 0 "[ . 1]" 1
19 1 5 TYR HB2 1 61 THR H 3.400 . 4.900 5.138 4.359 5.617 0.717 10 4 "[ - .* *+]" 1
20 1 6 HIS H 1 6 HIS QB 2.800 . 3.800 2.136 2.014 2.300 . 0 0 "[ . 1]" 1
21 1 6 HIS H 1 7 TYR HA 3.400 . 4.900 5.088 4.896 5.172 0.272 7 0 "[ . 1]" 1
22 1 6 HIS H 1 61 THR H 3.100 . 4.300 7.802 7.652 7.955 3.655 5 10 [****+*-***] 1
23 1 6 HIS H 1 63 GLN QB 4.200 . 6.000 8.578 8.362 8.728 2.728 10 10 [****-****+] 1
24 1 6 HIS QB 1 6 HIS HD2 3.100 . 4.300 2.467 2.256 2.755 . 0 0 "[ . 1]" 1
25 1 6 HIS QB 1 7 TYR H 4.100 . 4.900 3.449 3.134 3.689 . 0 0 "[ . 1]" 1
26 1 6 HIS QB 1 60 HIS QB 2.700 . 3.600 4.410 3.691 5.118 1.518 2 8 "[ + ****-**]" 1
27 1 6 HIS QB 1 62 TYR HA 2.700 . 3.600 6.149 5.931 6.399 2.799 2 10 [*+**-*****] 1
28 1 6 HIS QB 1 63 GLN H 3.700 . 5.400 6.656 6.298 6.989 1.589 10 10 [****-****+] 1
29 1 6 HIS HD2 1 60 HIS HA 3.400 . 4.900 10.327 9.528 11.483 6.583 7 10 [**-***+***] 1
30 1 6 HIS HD2 1 60 HIS QB 2.800 . 3.800 8.182 6.919 9.608 5.808 7 10 [-*****+***] 1
31 1 7 TYR H 1 7 TYR QB 3.000 . 4.100 2.517 2.398 2.610 . 0 0 "[ . 1]" 1
32 1 7 TYR H 1 8 GLN H 3.200 . 4.400 4.263 3.812 4.477 0.077 5 0 "[ . 1]" 1
33 1 7 TYR HA 1 7 TYR QB 2.600 . 3.400 2.488 2.431 2.517 . 0 0 "[ . 1]" 1
34 1 7 TYR HA 1 7 TYR QD 2.800 . 3.800 3.080 2.980 3.161 . 0 0 "[ . 1]" 1
35 1 7 TYR HA 1 8 GLN H 1.900 . 2.300 2.265 2.171 2.375 0.075 5 0 "[ . 1]" 1
36 1 7 TYR HA 1 8 GLN HA 3.500 . 5.000 3.926 3.900 3.959 . 0 0 "[ . 1]" 1
37 1 7 TYR HA 1 8 GLN HB2 3.100 . 4.300 4.526 4.344 4.690 0.390 3 0 "[ . 1]" 1
38 1 7 TYR HA 1 62 TYR HA 3.400 . 4.900 7.672 7.475 7.801 2.901 3 10 [**+***-***] 1
39 1 7 TYR HA 1 63 GLN H 2.800 . 3.800 7.208 7.058 7.344 3.544 3 10 [**+***-***] 1
40 1 7 TYR HA 1 63 GLN QB 3.500 . 3.900 6.435 6.268 6.585 2.685 8 10 [*****-*+**] 1
41 1 7 TYR HA 1 64 LEU H 4.500 . 6.000 4.890 4.750 5.007 . 0 0 "[ . 1]" 1
42 1 7 TYR QB 1 7 TYR QD 2.400 . 3.100 2.331 2.317 2.346 . 0 0 "[ . 1]" 1
43 1 7 TYR QB 1 8 GLN H 3.400 . 4.800 3.042 2.637 3.706 . 0 0 "[ . 1]" 1
44 1 7 TYR QB 1 63 GLN QB 2.900 . 3.900 4.040 3.793 4.238 0.338 4 0 "[ . 1]" 1
45 1 7 TYR QB 1 63 GLN H 4.000 . 6.000 5.020 4.812 5.360 . 0 0 "[ . 1]" 1
46 1 7 TYR QB 1 64 LEU H 4.300 . 6.000 3.835 3.516 4.090 . 0 0 "[ . 1]" 1
47 1 7 TYR QD 1 8 GLN H 2.900 . 3.900 3.785 3.363 4.572 0.672 6 2 "[ .+ -1]" 1
48 1 7 TYR QD 1 8 GLN HA 3.600 . 5.300 5.762 5.467 6.030 0.730 4 4 "[ *+.* -1]" 1
49 1 7 TYR QD 1 9 GLU H 3.700 . 5.400 6.600 6.221 7.031 1.631 4 10 [***+***-**] 1
50 1 7 TYR QD 1 9 GLU QG 4.300 . 6.000 6.515 4.542 7.796 1.796 1 6 "[+ * * *- *]" 1
51 1 7 TYR QD 1 65 ARG QB 4.100 . 6.000 9.577 9.019 10.011 4.011 7 10 [******+**-] 1
52 1 7 TYR QE 1 9 GLU QB 4.000 . 6.000 7.478 6.844 8.778 2.778 4 10 [***+***-**] 1
53 1 7 TYR QE 1 9 GLU QG 3.200 . 4.500 8.085 6.194 9.406 4.906 1 10 [+-********] 1
54 1 7 TYR QE 1 65 ARG QB 3.300 . 4.700 11.324 10.711 11.806 7.106 7 10 [******+**-] 1
55 1 8 GLN H 1 8 GLN HA 3.000 . 4.100 2.935 2.929 2.941 . 0 0 "[ . 1]" 1
56 1 8 GLN H 1 8 GLN QB 2.400 . 3.100 2.677 2.329 2.909 . 0 0 "[ . 1]" 1
57 1 8 GLN H 1 9 GLU H 3.200 . 4.400 4.371 4.284 4.478 0.078 6 0 "[ . 1]" 1
58 1 8 GLN H 1 10 CYS H 3.400 . 4.800 4.539 4.359 4.658 . 0 0 "[ . 1]" 1
59 1 8 GLN H 1 64 LEU H 3.500 . 5.000 4.404 4.270 4.576 . 0 0 "[ . 1]" 1
60 1 8 GLN H 1 64 LEU QB 3.900 . 5.800 3.882 3.745 4.008 . 0 0 "[ . 1]" 1
61 1 8 GLN H 1 63 GLN QB 3.200 . 4.500 6.477 6.213 6.817 2.317 3 10 [-*+*******] 1
62 1 8 GLN H 1 64 LEU HA 2.900 . 3.900 6.976 6.815 7.071 3.171 3 10 [**+*****-*] 1
63 1 8 GLN H 1 65 ARG H 2.500 . 3.300 4.213 4.072 4.327 1.027 8 10 [**-****+**] 1
64 1 8 GLN H 1 65 ARG QB 4.600 . 6.000 8.512 7.978 9.000 3.000 3 10 [**+******-] 1
65 1 8 GLN H 1 65 ARG QB 4.300 . 6.000 3.452 3.363 3.508 . 0 0 "[ . 1]" 1
66 1 8 GLN HA 1 8 GLN QB 2.400 . 3.100 2.157 2.148 2.174 . 0 0 "[ . 1]" 1
67 1 8 GLN HA 1 9 GLU H 2.100 . 2.600 2.181 2.127 2.260 . 0 0 "[ . 1]" 1
68 1 8 GLN QB 1 9 GLU H 3.100 . 4.300 3.207 3.068 3.396 . 0 0 "[ . 1]" 1
69 1 8 GLN QB 1 18 LEU QD 4.000 . 6.000 12.030 11.687 12.474 6.474 5 10 [****+**-**] 1
70 1 8 GLN QB 1 64 LEU HA 2.600 . 3.400 2.499 2.460 2.526 . 0 0 "[ . 1]" 1
71 1 9 GLU H 1 9 GLU HA 2.900 . 3.900 2.947 2.935 2.952 . 0 0 "[ . 1]" 1
72 1 9 GLU H 1 9 GLU QB 2.500 . 3.300 2.477 2.401 2.580 . 0 0 "[ . 1]" 1
73 1 9 GLU H 1 9 GLU QG 3.200 . 4.200 3.761 2.534 4.160 . 0 0 "[ . 1]" 1
74 1 9 GLU HA 1 9 GLU QB 2.400 . 3.100 2.360 2.285 2.532 . 0 0 "[ . 1]" 1
75 1 9 GLU HA 1 9 GLU QG 2.600 . 3.500 2.878 2.078 3.057 . 0 0 "[ . 1]" 1
76 1 9 GLU HA 1 10 CYS H 2.200 . 2.800 2.174 2.128 2.228 . 0 0 "[ . 1]" 1
77 1 9 GLU HA 1 10 CYS HA 3.400 . 4.800 4.381 4.357 4.413 . 0 0 "[ . 1]" 1
78 1 9 GLU HA 1 65 ARG H 2.700 . 3.600 7.299 7.052 7.449 3.849 1 10 [+**-******] 1
79 1 9 GLU HA 1 65 ARG QB 3.000 . 3.800 6.682 6.212 6.957 3.157 7 10 [***-**+***] 1
80 1 9 GLU HA 1 66 ALA H 3.600 . 5.200 4.843 4.583 4.950 . 0 0 "[ . 1]" 1
81 1 9 GLU HA 1 67 ARG H 3.500 . 5.000 8.518 8.239 8.711 3.711 1 10 [+-********] 1
82 1 9 GLU QB 1 67 ARG H 4.600 . 6.000 6.945 6.499 7.578 1.578 1 9 "[+ *-******]" 1
83 1 9 GLU QG 1 10 CYS H 3.900 . 4.500 3.335 2.581 4.744 0.244 2 0 "[ . 1]" 1
84 1 9 GLU QG 1 65 ARG HA 3.700 . 5.400 4.036 3.670 4.806 . 0 0 "[ . 1]" 1
85 1 9 GLU QG 1 65 ARG H 4.000 . 6.000 6.454 5.388 7.422 1.422 9 6 "[- * .** +*]" 1
86 1 9 GLU QG 1 65 ARG QB . . 3.400 5.148 4.572 6.474 3.074 9 10 [***-****+*] 1
87 1 10 CYS H 1 10 CYS QB 2.500 . 3.300 2.299 2.139 2.465 . 0 0 "[ . 1]" 1
88 1 10 CYS H 1 10 CYS QB 2.500 . 3.300 2.272 2.129 2.429 . 0 0 "[ . 1]" 1
89 1 10 CYS H 1 16 VAL MG2 3.700 . 5.400 9.311 9.062 9.698 4.298 7 10 [******+*-*] 1
90 1 10 CYS H 1 65 ARG HA 4.600 . 6.000 4.663 4.542 4.799 . 0 0 "[ . 1]" 1
91 1 10 CYS H 1 65 ARG H 2.600 . 3.400 8.120 7.926 8.252 4.852 7 10 [***-**+***] 1
92 1 10 CYS H 1 65 ARG QB 3.400 . 4.800 6.719 6.356 7.035 2.235 7 10 [******+**-] 1
93 1 10 CYS H 1 66 ALA H 3.300 . 4.600 4.627 4.461 4.745 0.145 7 0 "[ . 1]" 1
94 1 10 CYS H 1 66 ALA HA 2.900 . 4.000 7.004 6.711 7.217 3.217 4 10 [***+***-**] 1
95 1 10 CYS HA 1 10 CYS QB 2.300 . 3.000 2.496 2.409 2.540 . 0 0 "[ . 1]" 1
96 1 10 CYS HA 1 11 VAL H 2.000 . 2.500 2.153 2.091 2.216 . 0 0 "[ . 1]" 1
97 1 10 CYS HA 1 11 VAL HA 4.200 . 6.000 4.387 4.361 4.433 . 0 0 "[ . 1]" 1
98 1 10 CYS QB 1 16 VAL MG2 3.100 . 4.300 11.185 10.919 11.781 7.481 7 10 [******+-**] 1
99 1 10 CYS QB 1 45 CYS H 4.500 . 6.000 12.973 12.608 13.578 7.578 3 10 [-*+*******] 1
100 1 10 CYS QB 1 45 CYS HA 3.700 . 5.400 11.797 11.539 12.350 6.950 7 10 [-*****+***] 1
101 1 11 VAL H 1 11 VAL HA 2.800 . 3.800 2.936 2.909 2.953 . 0 0 "[ . 1]" 1
102 1 11 VAL H 1 12 ARG H 3.100 . 4.300 4.387 4.315 4.479 0.179 7 0 "[ . 1]" 1
103 1 11 VAL H 1 67 ARG H 3.600 . 5.200 4.623 4.439 4.687 . 0 0 "[ . 1]" 1
104 1 11 VAL HA 1 12 ARG H 1.900 . 2.300 2.280 2.164 2.564 0.264 3 0 "[ . 1]" 1
105 1 11 VAL HA 1 12 ARG HA 3.500 . 5.000 4.302 4.243 4.347 . 0 0 "[ . 1]" 1
106 1 11 VAL HA 1 12 ARG HA 3.800 . 5.600 4.268 4.206 4.313 . 0 0 "[ . 1]" 1
107 1 11 VAL HA 1 67 ARG H 2.400 . 3.100 7.231 7.119 7.328 4.228 4 10 [***+***-**] 1
108 1 11 VAL HA 1 67 ARG QB 3.400 . 4.900 6.583 6.009 7.023 2.123 2 10 [*+*****-**] 1
109 1 12 ARG H 1 12 ARG HA 2.400 . 3.100 2.841 2.783 2.920 . 0 0 "[ . 1]" 1
110 1 12 ARG H 1 66 ALA HA 3.700 . 5.500 8.827 8.588 8.964 3.464 4 10 [**-+******] 1
111 1 12 ARG H 1 67 ARG QB 4.300 . 6.000 6.166 5.744 6.868 0.868 2 2 "[ + - 1]" 1
112 1 12 ARG H 1 68 SER HA 3.900 . 5.800 6.877 6.028 7.628 1.828 6 8 "[- ***+** *]" 1
113 1 12 ARG H 1 69 VAL H 3.800 . 5.600 7.105 5.801 8.580 2.980 7 8 "[* * **+-**]" 1
114 1 12 ARG HA 1 13 GLY H 2.300 . 3.000 2.123 2.108 2.137 . 0 0 "[ . 1]" 1
115 1 12 ARG HA 1 14 THR H 3.300 . 4.700 5.604 5.331 5.979 1.279 7 10 [****-*+***] 1
116 1 12 ARG HA 1 45 CYS H 4.200 . 6.000 11.824 11.663 11.956 5.956 10 10 [****-****+] 1
117 1 12 ARG HA 1 46 THR HA 3.600 . 5.200 7.114 6.921 7.359 2.159 3 10 [-*+*******] 1
118 1 12 ARG HA 1 67 ARG H 3.700 . 5.400 6.685 6.288 7.007 1.607 8 10 [**-****+**] 1
119 1 13 GLY H 1 14 THR H 2.400 . 3.100 4.386 4.242 4.558 1.458 7 10 [****-*+***] 1
120 1 13 GLY H 1 45 CYS H 3.200 . 4.500 11.164 10.963 11.332 6.832 10 10 [********-+] 1
121 1 13 GLY H 1 45 CYS H 3.200 . 4.500 6.116 5.806 6.352 1.852 8 10 [*******+-*] 1
122 1 13 GLY H 1 45 CYS HA 3.500 . 5.100 9.003 8.876 9.143 4.043 10 10 [********-+] 1
123 1 14 THR H 1 15 THR H 3.400 . 4.900 2.296 2.071 2.718 . 0 0 "[ . 1]" 1
124 1 14 THR H 1 45 CYS H 2.800 . 3.800 7.315 7.192 7.459 3.659 10 10 [*-*******+] 1
125 1 14 THR H 1 45 CYS HA 3.700 . 5.400 5.026 4.894 5.176 . 0 0 "[ . 1]" 1
126 1 15 THR H 1 15 THR HB 2.400 . 3.100 3.615 3.560 3.689 0.589 7 6 "[*** .*+- 1]" 1
127 1 15 THR H 1 15 THR MG 3.100 . 4.300 2.682 2.304 2.847 . 0 0 "[ . 1]" 1
128 1 15 THR H 1 16 VAL H 3.300 . 4.600 4.491 4.448 4.595 . 0 0 "[ . 1]" 1
129 1 15 THR H 1 45 CYS H 4.100 . 6.000 7.880 7.823 7.930 1.930 4 10 [***+****-*] 1
130 1 15 THR HA 1 15 THR HB 2.900 . 3.900 2.544 2.410 2.613 . 0 0 "[ . 1]" 1
131 1 15 THR HA 1 15 THR MG 2.600 . 3.400 2.287 2.208 2.470 . 0 0 "[ . 1]" 1
132 1 15 THR HA 1 16 VAL H 2.000 . 2.500 2.607 2.273 2.708 0.208 8 0 "[ . 1]" 1
133 1 15 THR HA 1 16 VAL MG2 4.100 . 6.000 5.062 4.870 5.369 . 0 0 "[ . 1]" 1
134 1 15 THR HA 1 43 LEU H 2.900 . 3.900 12.072 11.686 12.362 8.462 4 10 [***+**-***] 1
135 1 15 THR HA 1 44 THR HA 2.200 . 2.800 9.053 8.846 9.204 6.404 4 10 [**-+******] 1
136 1 15 THR HA 1 45 CYS H 3.000 . 4.100 7.913 7.744 8.037 3.937 4 10 [***+**-***] 1
137 1 15 THR HB 1 15 THR MG 2.300 . 2.900 2.121 2.089 2.137 . 0 0 "[ . 1]" 1
138 1 15 THR HB 1 16 VAL H 3.700 . 5.400 2.058 1.846 2.685 0.154 5 0 "[ . 1]" 1
139 1 15 THR MG 1 16 VAL H 2.400 . 3.100 3.418 3.201 3.871 0.771 7 2 "[ - . + 1]" 1
140 1 15 THR MG 1 16 VAL HA 3.800 . 5.600 5.448 5.355 5.628 0.028 7 0 "[ . 1]" 1
141 1 15 THR MG 1 17 LEU HA 4.100 . 6.000 6.456 6.154 6.671 0.671 6 3 "[* .+ - 1]" 1
142 1 15 THR MG 1 42 ALA HA 3.100 . 4.300 13.106 12.932 13.341 9.041 6 10 [*****+*-**] 1
143 1 15 THR MG 1 43 LEU H 2.900 . 4.000 11.721 11.485 11.959 7.959 6 10 [*****+*-**] 1
144 1 15 THR MG 1 44 THR HA 3.000 . 4.200 9.473 9.347 9.605 5.405 6 10 [*****+***-] 1
145 1 16 VAL H 1 16 VAL HA 2.400 . 3.100 2.933 2.884 2.952 . 0 0 "[ . 1]" 1
146 1 16 VAL H 1 16 VAL HB 2.600 . 3.500 3.043 2.785 3.150 . 0 0 "[ . 1]" 1
147 1 16 VAL H 1 16 VAL MG2 3.300 . 4.600 3.791 3.600 3.890 . 0 0 "[ . 1]" 1
148 1 16 VAL H 1 17 LEU H 3.300 . 4.700 4.298 4.231 4.408 . 0 0 "[ . 1]" 1
149 1 16 VAL H 1 42 ALA HA 3.800 . 5.600 11.764 11.467 12.015 6.415 4 10 [***+**-***] 1
150 1 16 VAL H 1 43 LEU H 2.300 . 3.000 10.043 9.661 10.307 7.307 4 10 [***+**-***] 1
151 1 16 VAL H 1 43 LEU QB 3.100 . 4.300 6.585 5.925 7.414 3.114 5 10 [****+*-***] 1
152 1 16 VAL H 1 44 THR H 3.700 . 5.400 6.403 6.298 6.467 1.067 6 10 [**-**+****] 1
153 1 16 VAL H 1 44 THR HA 2.900 . 4.000 7.878 7.545 8.053 4.053 6 10 [**-**+****] 1
154 1 16 VAL H 1 45 CYS H 3.300 . 4.700 7.357 6.981 7.548 2.848 6 10 [*****+-***] 1
155 1 16 VAL HA 1 16 VAL HB 2.900 . 3.900 2.940 2.899 2.999 . 0 0 "[ . 1]" 1
156 1 16 VAL HA 1 16 VAL MG2 2.600 . 3.400 2.058 1.929 2.212 . 0 0 "[ . 1]" 1
157 1 16 VAL HA 1 16 VAL MG2 2.700 . 3.600 2.026 1.908 2.184 . 0 0 "[ . 1]" 1
158 1 16 VAL HA 1 17 LEU H 1.800 . 2.200 2.151 2.141 2.160 . 0 0 "[ . 1]" 1
159 1 16 VAL HA 1 17 LEU HA 3.900 . 5.800 4.411 4.393 4.423 . 0 0 "[ . 1]" 1
160 1 16 VAL HA 1 43 LEU H 4.200 . 6.000 7.895 7.562 8.131 2.131 4 10 [***+**-***] 1
161 1 16 VAL HB 1 17 LEU H 3.400 . 4.800 3.973 3.823 4.140 . 0 0 "[ . 1]" 1
162 1 16 VAL HB 1 43 LEU H 3.100 . 4.300 7.357 6.906 7.813 3.513 4 10 [***+**-***] 1
163 1 16 VAL HB 1 43 LEU QB 3.500 . 5.000 3.963 3.315 5.000 . 0 0 "[ . 1]" 1
164 1 16 VAL MG2 1 17 LEU H 2.800 . 3.800 3.046 2.814 3.119 . 0 0 "[ . 1]" 1
165 1 16 VAL MG2 1 18 LEU H 3.800 . 5.600 2.716 2.396 2.941 . 0 0 "[ . 1]" 1
166 1 16 VAL MG2 1 18 LEU QB 4.300 . 6.000 5.320 4.521 5.870 . 0 0 "[ . 1]" 1
167 1 16 VAL MG2 1 42 ALA HA 3.600 . 5.200 6.738 6.434 6.978 1.778 6 10 [**-**+****] 1
168 1 16 VAL MG2 1 43 LEU H 3.400 . 4.800 5.074 4.809 5.321 0.521 6 1 "[ .+ 1]" 1
169 1 16 VAL MG2 1 45 CYS H 4.700 . 6.000 3.841 3.440 4.276 . 0 0 "[ . 1]" 1
170 1 17 LEU H 1 17 LEU HA 2.800 . 3.800 2.891 2.867 2.908 . 0 0 "[ . 1]" 1
171 1 17 LEU H 1 18 LEU H 2.800 . 3.800 4.541 4.480 4.581 0.781 7 10 [****-*+***] 1
172 1 17 LEU H 1 18 LEU QD 3.600 . 5.200 5.526 5.413 5.632 0.432 5 0 "[ . 1]" 1
173 1 17 LEU HA 1 18 LEU H 2.200 . 2.800 2.214 2.110 2.267 . 0 0 "[ . 1]" 1
174 1 17 LEU HA 1 18 LEU QB 3.600 . 5.200 3.952 3.840 4.040 . 0 0 "[ . 1]" 1
175 1 17 LEU HA 1 41 PHE H 3.700 . 5.400 11.837 11.482 12.193 6.793 9 10 [-*******+*] 1
176 1 17 LEU HA 1 42 ALA HA 2.600 . 3.500 9.193 9.103 9.376 5.876 9 10 [******-*+*] 1
177 1 18 LEU H 1 18 LEU HA 2.900 . 4.000 2.935 2.919 2.946 . 0 0 "[ . 1]" 1
178 1 18 LEU H 1 18 LEU QB 3.200 . 3.800 2.408 2.301 2.556 . 0 0 "[ . 1]" 1
179 1 18 LEU H 1 18 LEU QD 3.500 . 4.500 3.824 3.782 3.872 . 0 0 "[ . 1]" 1
180 1 18 LEU H 1 18 LEU HG 3.200 . 4.500 4.098 3.862 4.535 0.035 4 0 "[ . 1]" 1
181 1 18 LEU H 1 19 LYS H 3.200 . 4.500 3.748 3.612 3.815 . 0 0 "[ . 1]" 1
182 1 18 LEU H 1 40 LYS HA 4.100 . 6.000 12.221 11.748 12.574 6.574 5 10 [****+****-] 1
183 1 18 LEU H 1 40 LYS QB 4.600 . 6.000 11.177 10.610 11.559 5.559 9 10 [********+-] 1
184 1 18 LEU H 1 41 PHE H 2.400 . 3.100 10.022 9.670 10.406 7.306 9 10 [-*******+*] 1
185 1 18 LEU H 1 41 PHE QB 3.900 . 5.800 5.996 5.603 6.347 0.547 5 2 "[ + -1]" 1
186 1 18 LEU H 1 42 ALA HA 2.800 . 3.700 8.044 7.859 8.203 4.503 9 10 [*****-**+*] 1
187 1 18 LEU HA 1 18 LEU QD 2.700 . 3.600 1.869 1.790 1.979 0.210 5 0 "[ . 1]" 1
188 1 18 LEU HA 1 18 LEU HG 2.800 . 3.800 2.846 2.755 2.980 . 0 0 "[ . 1]" 1
189 1 18 LEU HA 1 19 LYS H 2.300 . 2.900 2.247 2.195 2.325 . 0 0 "[ . 1]" 1
190 1 18 LEU HA 1 19 LYS H 2.200 . 2.800 2.174 2.137 2.229 . 0 0 "[ . 1]" 1
191 1 18 LEU HA 1 19 LYS HB2 4.300 . 6.000 4.459 4.279 4.783 . 0 0 "[ . 1]" 1
192 1 18 LEU HA 1 19 LYS HB3 3.900 . 5.800 5.517 5.101 5.802 0.002 8 0 "[ . 1]" 1
193 1 18 LEU QB 1 18 LEU QD 2.700 . 3.600 1.946 1.911 1.997 . 0 0 "[ . 1]" 1
194 1 18 LEU QB 1 18 LEU HG 2.400 . 3.100 2.299 2.246 2.381 . 0 0 "[ . 1]" 1
195 1 18 LEU QB 1 19 LYS H 2.800 . 3.800 3.879 3.811 3.978 0.178 4 0 "[ . 1]" 1
196 1 18 LEU QB 1 41 PHE H 3.900 . 5.800 7.219 6.705 7.955 2.155 4 10 [-**+******] 1
197 1 18 LEU MD1 1 18 LEU MD2 1.600 . 2.200 2.038 1.928 2.092 . 0 0 "[ . 1]" 1
198 1 18 LEU QD 1 19 LYS H 3.100 . 4.300 3.295 3.092 3.467 . 0 0 "[ . 1]" 1
199 1 18 LEU HG 1 19 LYS H 4.200 . 6.000 4.834 3.799 5.190 . 0 0 "[ . 1]" 1
200 1 19 LYS H 1 19 LYS HB2 2.600 . 3.400 2.247 2.013 2.547 . 0 0 "[ . 1]" 1
201 1 19 LYS H 1 19 LYS HB3 2.500 . 3.300 3.336 2.880 3.680 0.380 9 0 "[ . 1]" 1
202 1 19 LYS HA 1 19 LYS HB2 2.800 . 3.800 2.905 2.728 3.022 . 0 0 "[ . 1]" 1
203 1 19 LYS HA 1 19 LYS HB3 2.700 . 3.600 2.702 2.422 2.935 . 0 0 "[ . 1]" 1
204 1 19 LYS HA 1 20 GLU H 2.100 . 2.600 2.195 2.125 2.323 . 0 0 "[ . 1]" 1
205 1 19 LYS HA 1 20 GLU HA 3.800 . 5.600 4.375 4.331 4.414 . 0 0 "[ . 1]" 1
206 1 19 LYS HA 1 20 GLU QB 3.300 . 4.700 4.035 3.941 4.104 . 0 0 "[ . 1]" 1
207 1 19 LYS HA 1 40 LYS HA 2.500 . 3.300 9.712 9.513 9.858 6.558 8 10 [**-****+**] 1
208 1 19 LYS HA 1 41 PHE H 3.300 . 4.600 8.149 7.998 8.279 3.679 5 10 [****+-****] 1
209 1 19 LYS HB2 1 20 GLU H 3.500 . 5.000 4.247 3.680 4.513 . 0 0 "[ . 1]" 1
210 1 19 LYS HB3 1 20 GLU H 3.400 . 4.900 3.327 2.666 3.880 . 0 0 "[ . 1]" 1
211 1 20 GLU H 1 20 GLU HA 3.000 . 4.100 2.880 2.842 2.939 . 0 0 "[ . 1]" 1
212 1 20 GLU H 1 20 GLU QB 2.400 . 3.100 2.144 2.073 2.324 . 0 0 "[ . 1]" 1
213 1 20 GLU H 1 20 GLU QG 3.200 . 4.400 3.664 3.468 3.918 . 0 0 "[ . 1]" 1
214 1 20 GLU H 1 39 ASN QB 2.800 . 3.800 2.501 2.150 3.029 . 0 0 "[ . 1]" 1
215 1 20 GLU H 1 40 LYS QB 3.600 . 5.200 5.006 4.294 5.277 0.077 8 0 "[ . 1]" 1
216 1 20 GLU H 1 40 LYS HA 3.000 . 4.100 8.507 8.240 8.681 4.581 6 10 [**-**+****] 1
217 1 20 GLU H 1 41 PHE H 3.500 . 5.000 7.380 7.174 7.494 2.494 4 10 [**-+******] 1
218 1 20 GLU HA 1 20 GLU QB 2.500 . 3.300 2.527 2.470 2.543 . 0 0 "[ . 1]" 1
219 1 20 GLU HA 1 20 GLU QG 2.800 . 3.800 2.154 2.027 2.373 . 0 0 "[ . 1]" 1
220 1 20 GLU HA 1 21 PRO HA 4.000 . 6.000 4.357 4.282 4.385 . 0 0 "[ . 1]" 1
221 1 20 GLU HA 1 21 PRO QB 3.500 . 5.000 3.741 3.598 4.047 . 0 0 "[ . 1]" 1
222 1 20 GLU HA 1 21 PRO QG 3.900 . 5.800 4.504 3.804 5.518 . 0 0 "[ . 1]" 1
223 1 20 GLU QB 1 20 GLU QG 2.300 . 2.500 2.021 2.008 2.037 . 0 0 "[ . 1]" 1
224 1 20 GLU QB 1 39 ASN QB 3.000 . 4.200 6.480 5.658 7.099 2.899 5 10 [****+**-**] 1
225 1 20 GLU QG 1 39 ASN QB 3.600 . 5.200 4.665 3.707 5.503 0.303 5 0 "[ . 1]" 1
226 1 21 PRO HA 1 21 PRO QB 2.400 . 3.100 2.435 2.361 2.530 . 0 0 "[ . 1]" 1
227 1 21 PRO HA 1 21 PRO QG 3.100 . 4.300 2.363 2.184 2.505 . 0 0 "[ . 1]" 1
228 1 21 PRO HA 1 22 CYS HA 4.100 . 6.000 4.478 4.435 4.519 . 0 0 "[ . 1]" 1
229 1 21 PRO QB 1 60 HIS QB 3.700 . 5.400 9.783 9.423 10.249 4.849 1 10 [+****-****] 1
230 1 21 PRO QB 1 60 HIS QB 5.200 . 6.000 11.178 10.361 12.287 6.287 1 10 [+*******-*] 1
231 1 21 PRO QB 1 60 HIS HD2 3.700 . 5.400 12.599 10.604 14.032 8.632 3 10 [**+*-*****] 1
232 1 21 PRO QG 1 52 PHE QB 3.400 . 4.800 9.541 9.208 9.924 5.124 2 10 [*+*******-] 1
233 1 21 PRO QG 1 60 HIS QB 3.300 . 4.700 10.909 10.331 11.578 6.878 2 10 [*+*-******] 1
234 1 22 CYS HA 1 22 CYS QB 3.000 . 3.100 2.191 2.176 2.232 . 0 0 "[ . 1]" 1
235 1 22 CYS QB 1 54 CYS QB 2.700 . 3.600 8.058 7.356 8.690 5.090 4 10 [***+-*****] 1
236 1 22 CYS QB 1 55 ALA H 3.100 . 4.300 6.404 5.501 7.082 2.782 8 10 [****-**+**] 1
237 1 22 CYS QB 1 56 ASP H 3.800 . 5.600 7.748 7.107 8.199 2.599 8 10 [****-**+**] 1
238 1 23 PRO HA 1 23 PRO HB3 2.700 . 3.600 2.361 2.241 2.965 . 0 0 "[ . 1]" 1
239 1 24 SER HA 1 24 SER QB 2.800 . 3.800 2.193 2.171 2.215 . 0 0 "[ . 1]" 1
240 1 24 SER HA 1 25 GLY H 2.900 . 4.000 2.498 2.134 3.554 . 0 0 "[ . 1]" 1
241 1 24 SER QB 1 55 ALA H 3.800 . 5.700 9.318 8.579 10.019 4.319 2 10 [*+**-*****] 1
242 1 25 GLY H 1 54 CYS HA 3.900 . 5.800 9.569 8.123 10.575 4.775 7 10 [*****-+***] 1
243 1 26 THR H 1 52 PHE HA 3.900 . 5.800 11.909 11.324 12.905 7.105 8 10 [-******+**] 1
244 1 26 THR H 1 53 ALA H 2.500 . 3.300 10.068 9.577 11.030 7.730 8 10 [-******+**] 1
245 1 26 THR H 1 54 CYS HA 4.300 . 6.000 8.166 7.295 8.907 2.907 8 10 [******-+**] 1
246 1 27 TYR H 1 27 TYR HA 2.800 . 3.800 2.941 2.920 2.950 . 0 0 "[ . 1]" 1
247 1 27 TYR HA 1 28 GLU H 2.200 . 2.800 2.161 2.125 2.301 . 0 0 "[ . 1]" 1
248 1 27 TYR HA 1 52 PHE HA 2.800 . 3.700 9.757 9.186 10.148 6.448 8 10 [******-+**] 1
249 1 27 TYR HA 1 53 ALA H 3.100 . 4.300 8.443 7.933 8.840 4.540 6 10 [*****+-***] 1
250 1 28 GLU H 1 28 GLU QB 2.400 . 3.100 2.230 2.092 2.270 . 0 0 "[ . 1]" 1
251 1 28 GLU H 1 29 GLY H 3.400 . 4.800 4.417 4.278 4.563 . 0 0 "[ . 1]" 1
252 1 28 GLU H 1 51 ALA H 2.700 . 3.600 11.403 10.968 11.806 8.206 8 10 [***-***+**] 1
253 1 28 GLU H 1 52 PHE HA 3.400 . 4.800 8.776 8.296 9.088 4.288 6 10 [*****+-***] 1
254 1 28 GLU H 1 52 PHE QB 3.700 . 5.400 7.676 6.845 8.335 2.935 3 10 [**+***-***] 1
255 1 28 GLU HA 1 29 GLY H 2.200 . 2.800 2.134 2.115 2.164 . 0 0 "[ . 1]" 1
256 1 28 GLU HA 1 51 ALA H 5.100 . 6.000 8.669 8.206 9.069 3.069 8 10 [***-***+**] 1
257 1 28 GLU QB 1 51 ALA H 3.600 . 5.200 8.986 8.676 9.281 4.081 8 10 [***-***+**] 1
258 1 28 GLU QB 1 52 PHE H 3.300 . 4.600 5.907 5.410 6.240 1.640 8 10 [*-*****+**] 1
259 1 30 ASN H 1 31 SER H 4.100 . 6.000 4.340 4.078 4.526 . 0 0 "[ . 1]" 1
260 1 31 SER H 1 31 SER HB2 3.900 . 5.800 2.424 2.154 2.865 . 0 0 "[ . 1]" 1
261 1 31 SER H 1 31 SER HB3 3.200 . 4.400 2.872 2.324 3.275 . 0 0 "[ . 1]" 1
262 1 31 SER HA 1 32 PRO HB3 4.400 . 6.000 6.187 5.508 6.485 0.485 8 0 "[ . 1]" 1
263 1 32 PRO HA 1 32 PRO HB2 2.600 . 3.400 2.905 2.792 3.019 . 0 0 "[ . 1]" 1
264 1 32 PRO HA 1 32 PRO HB3 2.900 . 3.900 2.269 2.243 2.370 . 0 0 "[ . 1]" 1
265 1 33 PHE HA 1 33 PHE HB2 2.600 . 3.500 2.864 2.742 2.980 . 0 0 "[ . 1]" 1
266 1 33 PHE HA 1 34 HIS H 2.500 . 3.300 2.455 2.154 3.505 0.205 9 0 "[ . 1]" 1
267 1 33 PHE HB2 1 34 HIS H 2.900 . 4.000 3.486 2.684 4.223 0.223 2 0 "[ . 1]" 1
268 1 34 HIS H 1 34 HIS HA 3.000 . 4.100 2.769 2.259 2.947 . 0 0 "[ . 1]" 1
269 1 34 HIS H 1 34 HIS QB 3.000 . 3.800 2.608 2.240 2.979 . 0 0 "[ . 1]" 1
270 1 34 HIS H 1 35 PRO HD2 3.500 . 5.000 7.933 6.194 8.957 3.957 4 10 [-**+******] 1
271 1 34 HIS HA 1 34 HIS QB 2.800 . 3.800 2.249 2.165 2.459 . 0 0 "[ . 1]" 1
272 1 34 HIS HA 1 35 PRO HD2 2.300 . 3.000 6.802 5.115 7.470 4.470 4 10 [***+*****-] 1
273 1 34 HIS QB 1 35 PRO HD2 3.300 . 4.700 7.244 6.306 8.230 3.530 3 10 [**+******-] 1
274 1 34 HIS QB 1 42 ALA H 3.200 . 4.500 7.015 5.420 8.501 4.001 2 10 [*+***-****] 1
275 1 35 PRO HA 1 35 PRO HB2 2.600 . 3.400 2.861 2.669 2.992 . 0 0 "[ . 1]" 1
276 1 35 PRO HA 1 35 PRO HB3 2.200 . 2.800 2.817 2.663 2.980 0.180 3 0 "[ . 1]" 1
277 1 35 PRO HA 1 41 PHE HA 2.600 . 3.500 9.276 8.880 10.006 6.506 5 10 [****+-****] 1
278 1 35 PRO HA 1 41 PHE QB 3.200 . 4.500 8.136 7.656 8.828 4.328 3 10 [**+*****-*] 1
279 1 35 PRO HB2 1 35 PRO HD2 3.200 . 4.500 3.444 2.710 3.969 . 0 0 "[ . 1]" 1
280 1 35 PRO HB3 1 35 PRO HD2 3.700 . 5.400 2.990 2.689 3.483 . 0 0 "[ . 1]" 1
281 1 36 LEU HA 1 36 LEU QB 2.600 . 3.400 2.192 2.173 2.231 . 0 0 "[ . 1]" 1
282 1 36 LEU HA 1 37 ALA H 2.600 . 3.500 2.154 2.131 2.177 . 0 0 "[ . 1]" 1
283 1 36 LEU QB 1 37 ALA H 3.000 . 3.500 3.452 3.117 3.609 0.109 10 0 "[ . 1]" 1
284 1 36 LEU QB 1 40 LYS H 3.600 . 5.200 6.395 5.766 7.091 1.891 5 10 [****+***-*] 1
285 1 36 LEU QB 1 41 PHE HA 4.600 . 6.000 4.223 4.131 4.610 . 0 0 "[ . 1]" 1
286 1 36 LEU QB 1 41 PHE HA 3.700 . 5.400 6.297 5.575 7.132 1.732 5 8 "[*** + *-**]" 1
287 1 37 ALA H 1 37 ALA HA 2.400 . 3.100 2.926 2.900 2.945 . 0 0 "[ . 1]" 1
288 1 37 ALA H 1 40 LYS H 4.200 . 6.000 5.407 4.493 5.795 . 0 0 "[ . 1]" 1
289 1 37 ALA HA 1 38 ASP H 2.700 . 3.600 2.454 2.082 3.456 . 0 0 "[ . 1]" 1
290 1 37 ALA HA 1 38 ASP HB3 4.400 . 6.000 4.950 4.315 5.897 . 0 0 "[ . 1]" 1
291 1 38 ASP H 1 38 ASP HA 2.400 . 3.100 2.615 2.258 2.948 . 0 0 "[ . 1]" 1
292 1 38 ASP H 1 38 ASP HB2 3.000 . 4.100 3.206 2.070 4.072 . 0 0 "[ . 1]" 1
293 1 38 ASP H 1 38 ASP HB3 2.900 . 3.900 3.053 2.322 4.037 0.137 8 0 "[ . 1]" 1
294 1 38 ASP H 1 39 ASN HA 3.400 . 4.900 5.704 4.711 6.395 1.495 1 8 "[+***.* *-*]" 1
295 1 38 ASP HA 1 38 ASP HB2 2.500 . 3.300 2.538 2.251 3.001 . 0 0 "[ . 1]" 1
296 1 38 ASP HA 1 38 ASP HB3 2.600 . 3.400 2.730 2.383 3.005 . 0 0 "[ . 1]" 1
297 1 38 ASP HA 1 39 ASN H 2.500 . 3.300 3.062 2.189 3.582 0.282 9 0 "[ . 1]" 1
298 1 38 ASP HB3 1 39 ASN H 3.700 . 5.400 3.179 1.771 4.410 0.229 8 0 "[ . 1]" 1
299 1 39 ASN H 1 39 ASN QB 3.000 . 4.100 2.501 2.150 3.031 . 0 0 "[ . 1]" 1
300 1 39 ASN HA 1 39 ASN QB 2.600 . 3.400 2.365 2.177 2.511 . 0 0 "[ . 1]" 1
301 1 39 ASN HA 1 40 LYS H 2.500 . 3.300 3.085 2.791 3.473 0.173 10 0 "[ . 1]" 1
302 1 39 ASN QB 1 40 LYS H 3.700 . 5.400 3.071 1.545 4.022 0.455 8 0 "[ . 1]" 1
303 1 40 LYS H 1 40 LYS HA 3.000 . 4.100 2.515 2.253 2.912 . 0 0 "[ . 1]" 1
304 1 40 LYS H 1 40 LYS QB 2.500 . 3.300 2.931 2.615 3.237 . 0 0 "[ . 1]" 1
305 1 40 LYS H 1 41 PHE H 3.700 . 5.400 2.823 2.597 3.014 . 0 0 "[ . 1]" 1
306 1 40 LYS H 1 41 PHE HA 4.100 . 6.000 4.978 4.191 5.446 . 0 0 "[ . 1]" 1
307 1 40 LYS HA 1 40 LYS QB 2.300 . 3.000 2.511 2.426 2.547 . 0 0 "[ . 1]" 1
308 1 40 LYS HA 1 41 PHE H 2.100 . 2.700 2.554 2.423 2.707 0.007 5 0 "[ . 1]" 1
309 1 40 LYS QB 1 41 PHE H 2.500 . 3.300 3.905 3.884 3.931 0.631 4 10 [**-+******] 1
310 1 41 PHE H 1 41 PHE QB 3.500 . 5.100 2.708 2.594 2.870 . 0 0 "[ . 1]" 1
311 1 41 PHE H 1 42 ALA H 3.100 . 4.300 4.395 4.343 4.448 0.148 6 0 "[ . 1]" 1
312 1 41 PHE H 1 42 ALA HA 4.400 . 6.000 4.747 4.640 4.875 . 0 0 "[ . 1]" 1
313 1 41 PHE HA 1 41 PHE QB 2.400 . 3.100 2.353 2.232 2.447 . 0 0 "[ . 1]" 1
314 1 41 PHE HA 1 42 ALA H 2.400 . 3.100 2.520 2.366 2.603 . 0 0 "[ . 1]" 1
315 1 41 PHE QB 1 42 ALA H 2.600 . 3.500 2.180 1.915 2.653 . 0 0 "[ . 1]" 1
316 1 42 ALA H 1 42 ALA HA 2.900 . 3.900 2.884 2.847 2.935 . 0 0 "[ . 1]" 1
317 1 42 ALA HA 1 43 LEU H 2.100 . 2.700 2.155 2.090 2.261 . 0 0 "[ . 1]" 1
318 1 42 ALA HA 1 43 LEU HA 3.800 . 5.600 4.329 4.288 4.347 . 0 0 "[ . 1]" 1
319 1 43 LEU H 1 43 LEU HA 2.800 . 3.800 2.916 2.890 2.939 . 0 0 "[ . 1]" 1
320 1 43 LEU H 1 43 LEU QB 3.200 . 3.900 2.503 2.147 2.906 . 0 0 "[ . 1]" 1
321 1 43 LEU H 1 44 THR HA 4.200 . 6.000 5.268 5.178 5.387 . 0 0 "[ . 1]" 1
322 1 43 LEU HA 1 43 LEU QB 2.500 . 3.300 2.206 2.143 2.487 . 0 0 "[ . 1]" 1
323 1 43 LEU HA 1 44 THR H 2.200 . 2.800 2.174 2.138 2.233 . 0 0 "[ . 1]" 1
324 1 43 LEU HA 1 45 CYS H 3.800 . 5.600 6.245 6.088 6.359 0.759 3 9 "[*-+*** ***]" 1
325 1 43 LEU QB 1 44 THR H 3.200 . 4.000 3.219 2.934 3.534 . 0 0 "[ . 1]" 1
326 1 44 THR H 1 44 THR HA 2.400 . 3.100 2.933 2.915 2.951 . 0 0 "[ . 1]" 1
327 1 44 THR H 1 45 CYS H 3.200 . 4.500 4.356 4.294 4.384 . 0 0 "[ . 1]" 1
328 1 44 THR HA 1 45 CYS H 1.900 . 2.400 2.254 2.209 2.309 . 0 0 "[ . 1]" 1
329 1 45 CYS H 1 45 CYS HA 2.800 . 3.800 2.866 2.841 2.895 . 0 0 "[ . 1]" 1
330 1 45 CYS H 1 46 THR H 3.200 . 4.500 4.373 4.351 4.399 . 0 0 "[ . 1]" 1
331 1 45 CYS HA 1 46 THR H 2.200 . 2.800 2.084 2.050 2.149 . 0 0 "[ . 1]" 1
332 1 46 THR H 1 46 THR HA 2.900 . 3.900 2.760 2.744 2.774 . 0 0 "[ . 1]" 1
333 1 46 THR H 1 47 SER HA 3.900 . 5.800 5.724 5.630 5.830 0.030 3 0 "[ . 1]" 1
334 1 46 THR H 1 64 LEU QB 3.300 . 4.600 11.606 11.171 12.056 7.456 10 10 [**-******+] 1
335 1 46 THR HA 1 47 SER H 2.900 . 4.000 2.125 2.087 2.147 . 0 0 "[ . 1]" 1
336 1 46 THR HA 1 66 ALA H 3.500 . 5.000 6.280 5.787 6.691 1.691 5 10 [****+**-**] 1
337 1 47 SER HA 1 48 THR H 2.100 . 2.600 2.433 2.319 2.524 . 0 0 "[ . 1]" 1
338 1 47 SER HA 1 48 THR HA 3.500 . 5.100 4.317 4.283 4.328 . 0 0 "[ . 1]" 1
339 1 47 SER HA 1 64 LEU H 3.800 . 5.600 11.953 11.587 12.178 6.578 7 10 [**-***+***] 1
340 1 47 SER HA 1 64 LEU HA 4.500 . 6.000 10.031 9.668 10.314 4.314 5 10 [**-*+*****] 1
341 1 47 SER HA 1 64 LEU QB 3.400 . 4.800 9.640 9.364 10.009 5.209 10 10 [*-*******+] 1
342 1 47 SER HA 1 65 ARG HA 2.900 . 3.900 7.322 7.064 7.671 3.771 10 10 [**-******+] 1
343 1 47 SER HA 1 66 ALA H 3.000 . 4.100 7.051 6.476 7.410 3.310 6 10 [***-*+****] 1
344 1 48 THR H 1 49 HIS H 2.900 . 3.900 4.164 3.912 4.353 0.453 7 0 "[ . 1]" 1
345 1 48 THR H 1 64 LEU H 2.700 . 3.600 11.622 11.439 11.838 8.238 7 10 [**-***+***] 1
346 1 48 THR H 1 64 LEU QB 2.700 . 3.600 9.015 8.645 9.398 5.798 5 10 [*-**+*****] 1
347 1 48 THR HA 1 49 HIS H 2.800 . 3.800 2.198 2.119 2.316 . 0 0 "[ . 1]" 1
348 1 49 HIS H 1 50 PHE H 3.900 . 5.800 4.363 4.283 4.418 . 0 0 "[ . 1]" 1
349 1 49 HIS H 1 50 PHE QD 4.100 . 6.000 5.772 4.448 6.894 0.894 7 1 "[ . + 1]" 1
350 1 49 HIS HA 1 50 PHE H 2.200 . 2.800 2.434 2.328 2.551 . 0 0 "[ . 1]" 1
351 1 49 HIS HA 1 50 PHE HA 3.700 . 5.400 4.485 4.426 4.550 . 0 0 "[ . 1]" 1
352 1 49 HIS HA 1 50 PHE QD 3.200 . 4.500 4.034 3.028 5.175 0.675 7 1 "[ . + 1]" 1
353 1 49 HIS HA 1 50 PHE QE 3.700 . 5.400 5.800 4.489 7.233 1.833 7 4 "[ **.-+ 1]" 1
354 1 49 HIS HA 1 62 TYR H 3.900 . 5.800 13.693 13.336 13.888 8.088 2 10 [*+-*******] 1
355 1 49 HIS HA 1 63 GLN HA 2.500 . 3.300 10.055 9.867 10.191 6.891 7 10 [******+**-] 1
356 1 49 HIS HA 1 63 GLN QB 3.900 . 5.800 8.242 8.009 8.440 2.640 7 10 [*****-+***] 1
357 1 50 PHE H 1 50 PHE HA 2.800 . 3.700 2.921 2.898 2.952 . 0 0 "[ . 1]" 1
358 1 50 PHE H 1 50 PHE QB 3.600 . 5.000 2.990 2.569 3.298 . 0 0 "[ . 1]" 1
359 1 50 PHE H 1 50 PHE QD 2.900 . 3.900 2.931 2.082 3.328 . 0 0 "[ . 1]" 1
360 1 50 PHE H 1 61 THR HA 4.200 . 6.000 13.397 13.051 13.795 7.795 2 10 [*+-*******] 1
361 1 50 PHE H 1 62 TYR H 2.500 . 3.300 11.671 11.277 12.070 8.770 2 10 [*+-*******] 1
362 1 50 PHE H 1 63 GLN H 4.000 . 6.000 7.409 7.050 7.734 1.734 2 10 [-+********] 1
363 1 50 PHE HA 1 50 PHE QB 2.500 . 3.100 2.189 2.151 2.375 . 0 0 "[ . 1]" 1
364 1 50 PHE HA 1 50 PHE QD 3.000 . 4.100 3.860 3.361 3.986 . 0 0 "[ . 1]" 1
365 1 50 PHE HA 1 51 ALA H 2.100 . 2.700 2.153 2.092 2.270 . 0 0 "[ . 1]" 1
366 1 50 PHE QB 1 50 PHE QD 2.500 . 3.100 2.339 2.307 2.425 . 0 0 "[ . 1]" 1
367 1 50 PHE QB 1 50 PHE QE 3.700 . 5.000 3.951 3.934 3.971 . 0 0 "[ . 1]" 1
368 1 50 PHE QB 1 51 ALA H 2.200 . 2.800 3.111 2.660 3.250 0.450 7 0 "[ . 1]" 1
369 1 50 PHE QD 1 51 ALA H 2.500 . 3.300 4.370 3.401 5.024 1.724 10 9 "[***-** **+]" 1
370 1 50 PHE QD 1 51 ALA HA 3.400 . 4.800 4.445 3.750 6.117 1.317 2 1 "[ + . 1]" 1
371 1 50 PHE QE 1 63 GLN HA 4.300 . 6.000 9.042 7.821 9.871 3.871 5 10 [****+*-***] 1
372 1 50 PHE QE 1 64 LEU H 3.400 . 4.900 8.509 6.957 9.099 4.199 9 10 [*-******+*] 1
373 1 50 PHE QE 1 64 LEU QB 3.300 . 4.600 7.080 4.699 7.725 3.125 4 9 "[* *+*****-]" 1
374 1 51 ALA H 1 52 PHE H 3.200 . 4.500 4.280 4.155 4.341 . 0 0 "[ . 1]" 1
375 1 51 ALA HA 1 52 PHE H 2.000 . 2.500 2.756 2.676 2.861 0.361 10 0 "[ . 1]" 1
376 1 51 ALA HA 1 52 PHE QB 3.900 . 5.800 4.175 3.694 4.662 . 0 0 "[ . 1]" 1
377 1 51 ALA HA 1 61 THR HA 2.500 . 3.300 9.954 9.689 10.187 6.887 7 10 [**-***+***] 1
378 1 51 ALA HA 1 62 TYR H 3.000 . 4.100 8.506 8.198 8.749 4.649 2 10 [*+-*******] 1
379 1 52 PHE H 1 52 PHE HA 3.000 . 4.100 2.899 2.871 2.919 . 0 0 "[ . 1]" 1
380 1 52 PHE H 1 52 PHE QB 2.900 . 3.900 3.050 2.743 3.309 . 0 0 "[ . 1]" 1
381 1 52 PHE H 1 53 ALA H 3.300 . 4.600 4.335 4.286 4.378 . 0 0 "[ . 1]" 1
382 1 52 PHE H 1 59 ARG HA 3.400 . 4.800 8.200 7.876 8.696 3.896 2 10 [*+-*******] 1
383 1 52 PHE H 1 60 HIS H 2.500 . 3.300 10.958 10.640 11.484 8.184 2 10 [*+-*******] 1
384 1 52 PHE H 1 60 HIS QB 3.600 . 4.700 7.981 7.424 8.652 3.952 2 10 [*+-*******] 1
385 1 52 PHE H 1 61 THR HA 2.700 . 3.600 8.399 8.236 8.613 5.013 7 10 [******+**-] 1
386 1 52 PHE HA 1 53 ALA H 2.200 . 2.800 2.288 2.227 2.359 . 0 0 "[ . 1]" 1
387 1 52 PHE QB 1 53 ALA H 3.400 . 4.300 2.796 2.388 3.449 . 0 0 "[ . 1]" 1
388 1 52 PHE QB 1 60 HIS H 3.500 . 5.000 7.128 6.562 7.912 2.912 2 10 [*+-*******] 1
389 1 52 PHE QB 1 60 HIS QB 2.800 . 3.800 4.460 3.703 5.243 1.443 2 7 "[ + **-* **]" 1
390 1 52 PHE QB 1 60 HIS HD2 3.700 . 5.400 3.732 2.376 5.361 . 0 0 "[ . 1]" 1
391 1 53 ALA H 1 53 ALA HA 2.800 . 3.800 2.938 2.920 2.944 . 0 0 "[ . 1]" 1
392 1 53 ALA HA 1 54 CYS H 1.900 . 2.400 2.123 2.094 2.148 . 0 0 "[ . 1]" 1
393 1 53 ALA HA 1 59 ARG HA 2.600 . 3.400 9.654 9.535 9.910 6.510 9 10 [**-*****+*] 1
394 1 53 ALA HA 1 60 HIS H 3.100 . 4.300 8.517 8.413 8.705 4.405 2 10 [*+***-****] 1
395 1 54 CYS H 1 54 CYS QB 2.500 . 3.300 2.480 2.260 2.762 . 0 0 "[ . 1]" 1
396 1 54 CYS H 1 56 ASP H 3.400 . 4.900 7.223 6.933 7.748 2.848 9 10 [****-***+*] 1
397 1 54 CYS H 1 57 GLY H 2.900 . 4.000 8.156 6.848 8.552 4.552 6 10 [*****+**-*] 1
398 1 54 CYS H 1 58 THR H 3.000 . 4.100 7.870 7.363 8.492 4.392 9 10 [******-*+*] 1
399 1 54 CYS H 1 59 ARG HA 3.400 . 4.900 8.523 8.226 8.742 3.842 2 10 [*+****-***] 1
400 1 54 CYS H 1 60 HIS HD2 3.500 . 5.100 5.904 4.524 7.512 2.412 3 6 "[ *+ .***-1]" 1
401 1 54 CYS HA 1 54 CYS QB 2.500 . 3.300 2.309 2.143 2.528 . 0 0 "[ . 1]" 1
402 1 54 CYS HA 1 55 ALA H 2.500 . 3.300 2.172 2.108 2.373 . 0 0 "[ . 1]" 1
403 1 54 CYS HA 1 55 ALA HA 3.200 . 4.500 4.361 4.333 4.418 . 0 0 "[ . 1]" 1
404 1 54 CYS HA 1 56 ASP H 4.200 . 6.000 6.359 6.290 6.492 0.492 8 0 "[ . 1]" 1
405 1 54 CYS QB 1 55 ALA H 2.700 . 3.600 3.370 2.964 3.796 0.196 3 0 "[ . 1]" 1
406 1 54 CYS QB 1 56 ASP H 2.200 . 2.800 6.088 5.730 6.424 3.624 7 10 [******+-**] 1
407 1 54 CYS QB 1 56 ASP QB 3.800 . 5.600 6.950 6.464 7.406 1.806 3 10 [-*+*******] 1
408 1 54 CYS QB 1 57 GLY H 3.400 . 4.800 6.255 4.373 7.224 2.424 3 9 "[**+*-*** *]" 1
409 1 54 CYS QB 1 58 THR H 2.300 . 3.000 5.413 4.888 6.187 3.187 9 10 [***-****+*] 1
410 1 54 CYS QB 1 60 HIS HD2 3.800 . 5.600 4.376 3.434 5.716 0.116 8 0 "[ . 1]" 1
411 1 55 ALA H 1 55 ALA HA 2.800 . 3.800 2.910 2.876 2.942 . 0 0 "[ . 1]" 1
412 1 55 ALA HA 1 56 ASP H 3.200 . 4.400 2.440 2.322 2.786 . 0 0 "[ . 1]" 1
413 1 55 ALA HA 1 56 ASP HA 4.100 . 6.000 4.337 4.272 4.480 . 0 0 "[ . 1]" 1
414 1 55 ALA HA 1 57 GLY H 2.900 . 3.900 4.017 3.801 4.152 0.252 6 0 "[ . 1]" 1
415 1 56 ASP H 1 56 ASP HA 2.900 . 3.900 2.824 2.790 2.872 . 0 0 "[ . 1]" 1
416 1 56 ASP H 1 56 ASP QB 2.400 . 3.100 2.395 2.060 2.890 . 0 0 "[ . 1]" 1
417 1 56 ASP H 1 57 GLY H 2.300 . 3.000 2.767 2.567 3.256 0.256 9 0 "[ . 1]" 1
418 1 56 ASP H 1 58 THR H 2.900 . 4.000 4.147 3.218 4.615 0.615 5 1 "[ + 1]" 1
419 1 56 ASP HA 1 56 ASP QB 2.300 . 3.000 2.327 2.157 2.521 . 0 0 "[ . 1]" 1
420 1 56 ASP HA 1 57 GLY H 3.100 . 4.300 3.256 2.717 3.458 . 0 0 "[ . 1]" 1
421 1 56 ASP HA 1 58 THR H 3.100 . 4.300 3.624 3.382 4.049 . 0 0 "[ . 1]" 1
422 1 56 ASP QB 1 57 GLY H 3.600 . 5.200 3.349 2.942 3.923 . 0 0 "[ . 1]" 1
423 1 56 ASP QB 1 57 GLY H 4.100 . 6.000 2.679 2.043 3.137 . 0 0 "[ . 1]" 1
424 1 56 ASP QB 1 58 THR H 4.200 . 6.000 4.570 3.666 5.084 . 0 0 "[ . 1]" 1
425 1 58 THR H 1 59 ARG H 3.800 . 5.600 2.437 2.161 2.643 . 0 0 "[ . 1]" 1
426 1 59 ARG H 1 59 ARG HA 2.900 . 4.000 2.846 2.802 2.897 . 0 0 "[ . 1]" 1
427 1 59 ARG H 1 60 HIS H 3.200 . 4.500 4.521 4.360 4.645 0.145 4 0 "[ . 1]" 1
428 1 59 ARG HA 1 60 HIS H 1.900 . 2.400 2.212 2.145 2.394 . 0 0 "[ . 1]" 1
429 1 59 ARG HA 1 60 HIS HD2 3.000 . 4.100 3.665 2.745 4.466 0.366 3 0 "[ . 1]" 1
430 1 60 HIS H 1 60 HIS QB 2.400 . 3.100 2.348 2.264 2.454 . 0 0 "[ . 1]" 1
431 1 60 HIS H 1 60 HIS HD2 2.700 . 3.600 5.222 4.992 5.718 2.118 9 10 [*-******+*] 1
432 1 60 HIS HA 1 61 THR H 2.200 . 2.800 2.184 2.129 2.245 . 0 0 "[ . 1]" 1
433 1 60 HIS HA 1 61 THR HA 3.900 . 5.800 4.411 4.393 4.443 . 0 0 "[ . 1]" 1
434 1 60 HIS QB 1 61 THR H 3.400 . 4.900 3.522 3.182 3.714 . 0 0 "[ . 1]" 1
435 1 61 THR H 1 62 TYR H 3.600 . 5.200 4.064 3.937 4.178 . 0 0 "[ . 1]" 1
436 1 61 THR HA 1 62 TYR H 2.000 . 2.500 2.168 2.126 2.224 . 0 0 "[ . 1]" 1
437 1 62 TYR H 1 63 GLN H 3.200 . 4.500 4.586 4.481 4.631 0.131 1 0 "[ . 1]" 1
438 1 62 TYR HA 1 63 GLN H 2.200 . 2.800 2.234 2.155 2.306 . 0 0 "[ . 1]" 1
439 1 63 GLN H 1 63 GLN HA 2.800 . 3.800 2.943 2.934 2.948 . 0 0 "[ . 1]" 1
440 1 63 GLN H 1 63 GLN QB 3.000 . 3.800 2.438 2.291 2.548 . 0 0 "[ . 1]" 1
441 1 63 GLN HA 1 64 LEU H 2.200 . 2.800 2.135 2.105 2.153 . 0 0 "[ . 1]" 1
442 1 63 GLN QB 1 64 LEU H 2.300 . 3.000 3.412 3.068 3.596 0.596 10 5 "[** . -* +]" 1
443 1 63 GLN QB 1 64 LEU HA 3.300 . 4.600 4.229 3.981 4.347 . 0 0 "[ . 1]" 1
444 1 64 LEU H 1 64 LEU HA 2.800 . 3.800 2.928 2.910 2.947 . 0 0 "[ . 1]" 1
445 1 64 LEU H 1 64 LEU QB 2.400 . 3.100 2.239 2.143 2.450 . 0 0 "[ . 1]" 1
446 1 64 LEU HA 1 64 LEU QB 2.600 . 3.500 2.508 2.468 2.534 . 0 0 "[ . 1]" 1
447 1 64 LEU HA 1 65 ARG H 2.100 . 2.700 2.222 2.165 2.283 . 0 0 "[ . 1]" 1
448 1 64 LEU QB 1 65 ARG H 2.700 . 3.600 3.021 2.974 3.053 . 0 0 "[ . 1]" 1
449 1 64 LEU QB 1 66 ALA HA 3.300 . 4.600 4.177 3.900 4.524 . 0 0 "[ . 1]" 1
450 1 65 ARG H 1 65 ARG HA 2.800 . 3.700 2.930 2.914 2.942 . 0 0 "[ . 1]" 1
451 1 65 ARG H 1 65 ARG QB 2.800 . 3.800 2.400 2.227 2.547 . 0 0 "[ . 1]" 1
452 1 65 ARG H 1 66 ALA H 2.800 . 3.700 4.229 4.083 4.345 0.645 8 6 "[** *. *+ -]" 1
453 1 65 ARG HA 1 65 ARG QB 2.500 . 3.300 2.506 2.401 2.533 . 0 0 "[ . 1]" 1
454 1 65 ARG HA 1 66 ALA H 2.000 . 2.500 2.104 2.054 2.139 . 0 0 "[ . 1]" 1
455 1 65 ARG QB 1 66 ALA H 4.200 . 6.000 3.455 3.366 3.511 . 0 0 "[ . 1]" 1
456 1 66 ALA HA 1 67 ARG H 2.200 . 2.800 2.243 2.187 2.321 . 0 0 "[ . 1]" 1
457 1 67 ARG H 1 67 ARG QB 2.800 . 3.800 2.552 2.033 2.921 . 0 0 "[ . 1]" 1
458 1 67 ARG HA 1 67 ARG QB 2.900 . 4.000 2.264 2.135 2.520 . 0 0 "[ . 1]" 1
459 1 68 SER HA 1 68 SER HB2 2.600 . 3.400 2.884 2.382 3.031 . 0 0 "[ . 1]" 1
460 1 68 SER HA 1 69 VAL H 2.800 . 3.800 2.618 2.130 3.442 . 0 0 "[ . 1]" 1
461 1 68 SER HA 1 69 VAL HA 4.200 . 6.000 4.575 4.301 5.093 . 0 0 "[ . 1]" 1
462 1 68 SER QB 1 69 VAL H 3.200 . 4.500 3.597 2.941 3.978 . 0 0 "[ . 1]" 1
463 1 68 SER HB3 1 69 VAL H 2.900 . 4.000 4.086 3.528 4.665 0.665 6 2 "[ .+ - 1]" 1
464 1 69 VAL HA 1 70 SER H 2.800 . 3.800 2.760 2.140 3.570 . 0 0 "[ . 1]" 1
465 1 71 PRO HA 1 71 PRO HB3 2.700 . 3.600 2.369 2.244 2.544 . 0 0 "[ . 1]" 1
466 1 71 PRO HB3 1 72 LYS HG2 4.900 . 6.000 5.785 4.958 6.705 0.705 8 2 "[ - + 1]" 1
467 1 72 LYS HA 1 72 LYS HB2 2.800 . 3.800 2.819 2.694 2.985 . 0 0 "[ . 1]" 1
468 1 72 LYS HA 1 72 LYS QG 3.400 . 4.800 3.312 2.842 3.518 . 0 0 "[ . 1]" 1
469 1 72 LYS HA 1 73 LEU H 2.800 . 3.800 3.346 2.218 3.564 . 0 0 "[ . 1]" 1
470 1 72 LYS HB2 1 72 LYS HG2 2.900 . 4.000 2.311 2.286 2.331 . 0 0 "[ . 1]" 1
471 1 72 LYS HB2 1 73 LEU H 3.000 . 4.200 3.050 1.996 4.150 . 0 0 "[ . 1]" 1
472 1 72 LYS HB3 1 72 LYS HG2 2.500 . 3.300 2.867 2.656 2.994 . 0 0 "[ . 1]" 1
473 1 73 LEU H 1 73 LEU HB2 2.900 . 4.000 2.951 2.449 3.760 . 0 0 "[ . 1]" 1
474 1 73 LEU H 1 73 LEU HB3 4.600 . 6.000 3.702 3.536 4.090 . 0 0 "[ . 1]" 1
475 1 73 LEU HA 1 73 LEU HB3 3.000 . 4.100 2.297 2.169 2.401 . 0 0 "[ . 1]" 1
476 1 73 LEU HA 1 74 PHE H 2.800 . 3.600 2.928 2.163 3.549 . 0 0 "[ . 1]" 1
477 1 73 LEU HA 1 74 PHE H 2.900 . 3.900 2.396 1.977 2.805 . 0 0 "[ . 1]" 1
478 1 73 LEU HB2 1 74 PHE H 3.100 . 4.300 2.755 2.104 3.435 . 0 0 "[ . 1]" 1
479 1 73 LEU HB3 1 74 PHE H 3.000 . 4.100 3.895 3.533 4.368 0.268 8 0 "[ . 1]" 1
480 1 73 LEU HB3 1 74 PHE H 3.200 . 4.500 2.994 2.142 3.560 . 0 0 "[ . 1]" 1
481 1 74 PHE H 1 74 PHE HA 2.700 . 3.600 2.391 2.114 2.763 . 0 0 "[ . 1]" 1
482 1 74 PHE H 1 74 PHE QB 2.900 . 4.000 2.869 2.084 3.317 . 0 0 "[ . 1]" 1
483 1 74 PHE H 1 78 GLU QB 3.800 . 5.600 9.065 3.179 12.038 6.438 7 7 "[*-**. + **]" 1
484 1 74 PHE H 1 80 VAL HA 4.200 . 6.000 8.616 5.193 11.967 5.967 9 6 "[ -**. * +*]" 1
485 1 74 PHE HA 1 74 PHE QB 3.000 . 4.100 2.439 2.170 2.528 . 0 0 "[ . 1]" 1
486 1 74 PHE HA 1 75 ILE H 2.600 . 3.500 2.741 2.215 3.537 0.037 1 0 "[ . 1]" 1
487 1 74 PHE HA 1 79 GLU H 4.200 . 6.000 7.314 5.239 9.082 3.082 9 7 "[* -*.** +*]" 1
488 1 74 PHE QB 1 75 ILE H 3.100 . 4.300 2.540 1.765 3.811 0.235 8 0 "[ . 1]" 1
489 1 74 PHE QB 1 77 GLN H 4.100 . 6.000 6.527 5.368 7.576 1.576 2 5 "[ + ** - *]" 1
490 1 75 ILE H 1 76 ARG H 3.100 . 4.300 3.831 2.655 4.534 0.234 7 0 "[ . 1]" 1
491 1 75 ILE HA 1 76 ARG H 2.500 . 3.300 2.697 2.112 3.526 0.226 4 0 "[ . 1]" 1
492 1 76 ARG H 1 76 ARG HA 2.500 . 3.300 2.203 1.911 2.505 . 0 0 "[ . 1]" 1
493 1 76 ARG HA 1 77 GLN H 2.700 . 3.600 3.225 2.250 3.523 . 0 0 "[ . 1]" 1
494 1 76 ARG HA 1 77 GLN H 2.900 . 3.900 2.604 2.008 2.790 . 0 0 "[ . 1]" 1
495 1 77 GLN H 1 77 GLN HB2 3.400 . 4.900 3.643 2.744 3.984 . 0 0 "[ . 1]" 1
496 1 77 GLN H 1 77 GLN HG2 3.700 . 5.400 3.552 2.592 4.421 . 0 0 "[ . 1]" 1
497 1 77 GLN HA 1 77 GLN HB2 2.700 . 3.600 2.663 2.248 3.019 . 0 0 "[ . 1]" 1
498 1 77 GLN HA 1 77 GLN HB3 3.400 . 4.900 2.066 1.926 2.260 . 0 0 "[ . 1]" 1
499 1 77 GLN HA 1 77 GLN HG2 2.800 . 3.700 3.212 2.087 3.655 . 0 0 "[ . 1]" 1
500 1 77 GLN HA 1 78 GLU H 2.500 . 3.300 3.045 2.146 3.550 0.250 3 0 "[ . 1]" 1
501 1 77 GLN HG2 1 78 GLU H 4.100 . 6.000 4.524 3.364 5.713 . 0 0 "[ . 1]" 1
502 1 78 GLU H 1 78 GLU QB 3.200 . 4.100 2.962 2.466 3.464 . 0 0 "[ . 1]" 1
503 1 78 GLU H 1 78 GLU HG2 3.000 . 4.100 3.165 1.545 4.505 0.405 2 0 "[ . 1]" 1
504 1 78 GLU H 1 79 GLU H 3.200 . 4.500 3.143 1.691 3.908 0.209 2 0 "[ . 1]" 1
505 1 78 GLU H 1 80 VAL H 4.000 . 6.000 6.280 4.491 7.751 1.751 7 4 "[ -*. + *1]" 1
506 1 78 GLU HA 1 78 GLU QB 3.200 . 4.500 2.121 1.958 2.333 . 0 0 "[ . 1]" 1
507 1 78 GLU HA 1 78 GLU QB 3.600 . 5.200 2.198 2.087 2.394 . 0 0 "[ . 1]" 1
508 1 78 GLU HA 1 78 GLU QB 2.900 . 3.900 2.127 1.959 2.326 . 0 0 "[ . 1]" 1
509 1 78 GLU HA 1 78 GLU HG2 2.800 . 3.800 3.006 2.021 4.186 0.386 3 0 "[ . 1]" 1
510 1 78 GLU HA 1 78 GLU HG2 3.000 . 4.100 2.324 1.834 3.068 0.066 10 0 "[ . 1]" 1
511 1 78 GLU HA 1 79 GLU H 2.600 . 3.400 2.657 2.365 3.343 . 0 0 "[ . 1]" 1
512 1 78 GLU QB 1 78 GLU HG2 1.700 . 2.200 2.044 1.926 2.201 0.001 1 0 "[ . 1]" 1
513 1 78 GLU QB 1 79 GLU H 2.700 . 3.500 3.602 1.412 4.027 0.527 8 1 "[ . + 1]" 1
514 1 78 GLU QB 1 79 GLU H 3.000 . 4.100 2.334 1.412 2.966 0.488 10 0 "[ . 1]" 1
515 1 78 GLU QB 1 80 VAL H 3.500 . 5.000 2.837 1.757 3.777 0.243 2 0 "[ . 1]" 1
516 1 78 GLU HG2 1 79 GLU H 3.000 . 4.100 3.020 1.570 3.718 0.330 6 0 "[ . 1]" 1
517 1 78 GLU HG2 1 80 VAL H 3.400 . 4.900 3.506 2.607 4.727 . 0 0 "[ . 1]" 1
518 1 79 GLU H 1 79 GLU HA 2.300 . 3.000 2.373 1.942 2.743 . 0 0 "[ . 1]" 1
519 1 79 GLU H 1 79 GLU HB3 2.900 . 3.900 3.496 2.919 4.072 0.172 10 0 "[ . 1]" 1
520 1 79 GLU H 1 79 GLU HB3 2.600 . 3.500 2.821 2.069 3.573 0.073 1 0 "[ . 1]" 1
521 1 79 GLU H 1 79 GLU QG 2.700 . 3.600 2.923 1.571 3.824 0.229 6 0 "[ . 1]" 1
522 1 79 GLU H 1 80 VAL H 3.000 . 4.200 3.908 2.899 4.632 0.432 1 0 "[ . 1]" 1
523 1 79 GLU HA 1 79 GLU HB3 2.900 . 4.000 2.645 2.229 2.953 . 0 0 "[ . 1]" 1
524 1 79 GLU HA 1 79 GLU QG 2.900 . 3.900 2.595 2.097 3.190 . 0 0 "[ . 1]" 1
525 1 79 GLU HA 1 80 VAL H 2.500 . 3.300 3.056 2.133 3.500 0.200 2 0 "[ . 1]" 1
526 1 79 GLU HB3 1 79 GLU QG 1.800 . 2.200 2.064 1.900 2.234 0.034 7 0 "[ . 1]" 1
527 1 80 VAL H 1 80 VAL HA 3.000 . 4.200 2.820 2.264 2.944 . 0 0 "[ . 1]" 1
528 1 80 VAL HA 1 81 GLN H 3.000 . 3.300 3.122 2.158 3.522 0.222 1 0 "[ . 1]" 1
529 1 81 GLN H 1 81 GLN HA 2.800 . 3.800 2.769 2.244 2.936 . 0 0 "[ . 1]" 1
530 1 81 GLN H 1 83 GLU QG 3.400 . 4.900 7.185 5.123 9.256 4.356 6 9 "[*****+- **]" 1
531 1 82 GLN H 1 82 GLN HG2 3.100 . 4.300 3.400 2.736 4.451 0.151 6 0 "[ . 1]" 1
532 1 82 GLN HA 1 83 GLU H 2.500 . 3.300 2.424 1.983 2.780 . 0 0 "[ . 1]" 1
533 1 82 GLN HA 1 86 SER QB 2.900 . 4.000 8.019 5.611 10.086 6.086 8 10 [**-****+**] 1
534 1 83 GLU H 1 83 GLU HA 2.300 . 2.900 2.683 2.259 2.933 0.033 5 0 "[ . 1]" 1
535 1 83 GLU H 1 83 GLU HB2 3.000 . 4.100 3.147 2.139 3.720 . 0 0 "[ . 1]" 1
536 1 83 GLU H 1 83 GLU QG 3.600 . 5.200 2.771 1.561 4.075 0.439 9 0 "[ . 1]" 1
537 1 83 GLU H 1 84 LEU H 3.200 . 4.500 2.799 1.900 4.029 . 0 0 "[ . 1]" 1
538 1 83 GLU HA 1 83 GLU HB2 3.000 . 4.200 2.818 2.505 3.001 . 0 0 "[ . 1]" 1
539 1 83 GLU HA 1 84 LEU H 2.600 . 3.500 3.073 2.306 3.586 0.086 5 0 "[ . 1]" 1
540 1 83 GLU HA 1 84 LEU H 2.200 . 2.800 2.460 2.216 2.749 . 0 0 "[ . 1]" 1
541 1 83 GLU HB2 1 84 LEU H 3.900 . 5.800 3.732 1.954 4.391 0.046 8 0 "[ . 1]" 1
542 1 83 GLU HB2 1 84 LEU HB2 4.700 . 6.000 6.173 5.176 6.982 0.982 3 4 "[ *+-. * 1]" 1
543 1 84 LEU H 1 84 LEU HB2 2.400 . 3.100 3.142 2.154 3.771 0.671 8 1 "[ . + 1]" 1
544 1 84 LEU H 1 86 SER HA 3.500 . 5.100 6.426 4.952 7.281 2.181 4 8 "[* +*-****]" 1
545 1 84 LEU HA 1 85 TYR H 2.800 . 3.800 3.240 2.581 3.550 . 0 0 "[ . 1]" 1
546 1 84 LEU HB2 1 85 TYR H 3.800 . 5.600 3.280 1.995 4.436 0.005 5 0 "[ . 1]" 1
547 1 84 LEU HB3 1 85 TYR H 4.000 . 6.000 3.813 1.923 4.608 0.077 5 0 "[ . 1]" 1
548 1 85 TYR H 1 85 TYR HA 2.900 . 3.900 2.895 2.800 2.945 . 0 0 "[ . 1]" 1
549 1 85 TYR H 1 85 TYR HB2 3.000 . 4.100 2.702 2.249 3.133 . 0 0 "[ . 1]" 1
550 1 85 TYR H 1 85 TYR HB3 4.100 . 6.000 3.480 3.210 3.652 . 0 0 "[ . 1]" 1
551 1 85 TYR HB2 1 86 SER H 4.900 . 6.000 2.962 1.988 4.631 . 0 0 "[ . 1]" 1
552 1 85 TYR HB3 1 87 ARG H 4.200 . 6.000 4.589 2.258 6.567 0.567 2 1 "[ + . 1]" 1
553 1 86 SER H 1 86 SER QB 3.700 . 5.400 2.551 2.178 3.016 . 0 0 "[ . 1]" 1
554 1 86 SER HA 1 86 SER QB 3.100 . 4.300 2.424 2.197 2.544 . 0 0 "[ . 1]" 1
555 1 86 SER HA 1 87 ARG H 3.300 . 4.700 2.844 2.157 3.502 . 0 0 "[ . 1]" 1
556 1 86 SER QB 1 87 ARG H 3.700 . 5.400 3.212 1.710 3.846 0.290 4 0 "[ . 1]" 1
557 1 87 ARG H 1 87 ARG HB2 4.400 . 6.000 3.465 2.884 4.026 . 0 0 "[ . 1]" 1
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