NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404510 |
1x32   |
6589 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x32
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 457
_Distance_constraint_stats_list.Viol_count 1305
_Distance_constraint_stats_list.Viol_total 4696.605
_Distance_constraint_stats_list.Viol_max 2.656
_Distance_constraint_stats_list.Viol_rms 0.1152
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0257
_Distance_constraint_stats_list.Viol_average_violations_only 0.1799
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 0.199 0.062 15 0 "[ . 1 . 2]"
1 4 GLU 3.133 0.333 2 0 "[ . 1 . 2]"
1 5 VAL 0.462 0.062 15 0 "[ . 1 . 2]"
1 6 ASN 4.714 0.401 19 0 "[ . 1 . 2]"
1 7 LYS 3.852 0.986 15 3 "[ * . -1 + 2]"
1 8 ILE 4.108 0.986 15 3 "[ * . -1 + 2]"
1 9 ILE 12.980 1.245 15 7 "[ ** - * 1 * + * 2]"
1 10 GLY 6.198 0.354 5 0 "[ . 1 . 2]"
1 11 SER 15.125 2.656 6 1 "[ .+ 1 . 2]"
1 12 ARG 6.096 0.472 4 0 "[ . 1 . 2]"
1 13 THR 9.408 0.459 16 0 "[ . 1 . 2]"
1 14 ALA 7.300 0.405 6 0 "[ . 1 . 2]"
1 15 GLY 2.885 0.195 12 0 "[ . 1 . 2]"
1 16 GLU 0.007 0.004 16 0 "[ . 1 . 2]"
1 17 GLY 0.444 0.155 16 0 "[ . 1 . 2]"
1 18 ALA 9.203 0.197 14 0 "[ . 1 . 2]"
1 19 MET 8.788 0.459 16 0 "[ . 1 . 2]"
1 20 GLU 14.100 0.776 17 2 "[ . - 1 . + 2]"
1 21 TYR 23.015 1.035 4 4 "[ +. * ** 2]"
1 22 LEU 17.839 1.068 11 8 "[ * - * 1+* .*** 2]"
1 23 ILE 23.117 2.408 9 5 "[ *-. +1 * * 2]"
1 24 GLU 3.269 0.354 5 0 "[ . 1 . 2]"
1 25 TRP 54.197 1.416 15 20 [***-**********+*****]
1 26 LYS 2.980 0.248 18 0 "[ . 1 . 2]"
1 27 ASP 1.639 0.181 14 0 "[ . 1 . 2]"
1 28 GLY 0.160 0.081 14 0 "[ . 1 . 2]"
1 29 HIS 17.481 1.256 6 12 "[* * .+ *** **** * -]"
1 30 SER 0.101 0.021 6 0 "[ . 1 . 2]"
1 31 PRO 26.525 1.416 15 20 [***-**********+*****]
1 32 SER 29.302 2.408 9 11 "[ **. +1****-*** 2]"
1 33 TRP 15.239 2.656 6 2 "[ -.+ 1 . 2]"
1 34 VAL 22.496 1.960 8 4 "[ * -+ 1 . *2]"
1 35 PRO 4.837 0.527 15 1 "[ . 1 + 2]"
1 36 SER 11.148 1.960 8 6 "[ * *+*1- . *2]"
1 37 SER 2.991 0.775 18 3 "[ . 1 * . + -]"
1 38 TYR 16.934 0.437 19 0 "[ . 1 . 2]"
1 39 ILE 19.732 0.776 17 15 "[*-**.* ****** .*+* *]"
1 40 ALA 19.459 1.063 10 17 "[*-**.* **+******** *]"
1 41 ALA 0.194 0.168 9 0 "[ . 1 . 2]"
1 42 ASP 0.271 0.112 9 0 "[ . 1 . 2]"
1 43 VAL 2.597 0.274 17 0 "[ . 1 . 2]"
1 44 VAL 1.434 0.179 17 0 "[ . 1 . 2]"
1 45 SER 6.730 0.973 9 3 "[ . -+1* . 2]"
1 46 GLU 14.910 0.777 1 18 "[+**** ***-* ********]"
1 47 TYR 13.290 0.777 1 18 "[+**** ***** **-*****]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLY H 1 3 GLY HA2 2.900 . 3.600 2.644 2.301 2.955 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLY H 1 4 GLU H 4.300 . 4.500 4.168 3.277 4.504 0.004 18 0 "[ . 1 . 2]" 1
3 1 3 GLY HA2 1 4 GLU H 2.900 . 3.600 2.650 2.153 3.407 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLY HA2 1 5 VAL HA 2.800 . 6.000 5.807 5.355 6.062 0.062 15 0 "[ . 1 . 2]" 1
5 1 4 GLU H 1 4 GLU HA 2.500 . 3.300 2.270 2.247 2.287 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLU H 1 4 GLU QB 3.500 . 4.500 2.898 2.771 3.019 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLU H 1 4 GLU QG 3.500 . 4.500 4.146 3.313 4.508 0.008 8 0 "[ . 1 . 2]" 1
8 1 4 GLU H 1 5 VAL H 5.500 . 6.000 2.758 2.555 2.917 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU H 1 5 VAL QG 5.000 . 6.500 3.886 3.530 4.197 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLU H 1 24 GLU QB 6.500 . 7.500 7.219 6.288 7.671 0.171 12 0 "[ . 1 . 2]" 1
11 1 4 GLU H 1 25 TRP HZ2 4.500 . 5.500 5.545 4.843 5.833 0.333 2 0 "[ . 1 . 2]" 1
12 1 4 GLU HA 1 5 VAL H 3.100 . 4.300 3.039 2.573 3.414 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLU HA 1 27 ASP HB2 4.600 . 6.000 3.771 2.655 5.686 . 0 0 "[ . 1 . 2]" 1
14 1 4 GLU QB 1 5 VAL H 4.000 . 5.000 3.867 3.639 4.036 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLU QB 1 6 ASN H 4.500 . 5.500 5.153 4.519 5.604 0.104 8 0 "[ . 1 . 2]" 1
16 1 4 GLU HB2 1 31 PRO QD 2.500 . 3.300 2.304 1.865 3.518 0.218 13 0 "[ . 1 . 2]" 1
17 1 4 GLU QG 1 5 VAL H 5.000 . 6.000 3.950 3.229 4.461 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLU QG 1 26 LYS HA 3.700 . 6.000 5.300 4.347 5.779 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL H 1 5 VAL HB 4.000 . 4.500 2.626 2.516 2.837 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL H 1 5 VAL QG 4.000 . 5.500 2.181 1.911 2.605 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL H 1 6 ASN HA 4.300 . 6.000 4.460 4.142 4.858 . 0 0 "[ . 1 . 2]" 1
22 1 5 VAL H 1 7 LYS QG 3.600 . 6.000 4.249 3.747 4.788 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL HA 1 6 ASN H 3.000 . 3.500 3.435 3.316 3.524 0.024 1 0 "[ . 1 . 2]" 1
24 1 5 VAL HB 1 6 ASN H 4.000 . 5.000 2.974 2.191 3.462 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL HB 1 6 ASN HA 4.000 . 5.200 4.666 4.313 4.975 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL HB 1 9 ILE MG 3.000 . 6.000 5.975 5.734 6.039 0.039 10 0 "[ . 1 . 2]" 1
27 1 5 VAL QG 1 6 ASN H 4.000 . 5.500 3.400 3.041 3.624 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL QG 1 7 LYS H 5.000 . 6.500 4.119 3.262 4.543 . 0 0 "[ . 1 . 2]" 1
29 1 6 ASN H 1 6 ASN HA 2.700 . 3.600 2.288 2.236 2.327 . 0 0 "[ . 1 . 2]" 1
30 1 6 ASN H 1 6 ASN QB 3.700 . 4.900 3.008 2.667 3.541 . 0 0 "[ . 1 . 2]" 1
31 1 6 ASN H 1 7 LYS H 3.700 . 4.500 3.096 2.491 3.640 . 0 0 "[ . 1 . 2]" 1
32 1 6 ASN H 1 24 GLU QB 6.000 . 7.000 5.651 4.607 6.886 . 0 0 "[ . 1 . 2]" 1
33 1 6 ASN HA 1 7 LYS H 5.000 . 5.500 2.372 2.181 2.764 . 0 0 "[ . 1 . 2]" 1
34 1 6 ASN HA 1 7 LYS HA 3.700 . 5.400 4.373 4.283 4.590 . 0 0 "[ . 1 . 2]" 1
35 1 6 ASN HA 1 9 ILE MG 3.500 . 5.000 4.087 3.223 5.017 0.017 13 0 "[ . 1 . 2]" 1
36 1 6 ASN HA 1 27 ASP H 2.300 . 6.000 5.903 5.221 6.021 0.021 9 0 "[ . 1 . 2]" 1
37 1 6 ASN QB 1 6 ASN QD 4.500 . 5.000 2.164 2.056 2.657 . 0 0 "[ . 1 . 2]" 1
38 1 6 ASN QB 1 7 LYS H 4.500 . 5.500 3.953 3.710 4.078 . 0 0 "[ . 1 . 2]" 1
39 1 6 ASN QB 1 23 ILE HA 3.800 . 5.200 5.216 4.014 5.601 0.401 19 0 "[ . 1 . 2]" 1
40 1 6 ASN QD 1 24 GLU HA 4.000 . 4.500 2.798 2.071 3.761 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASN QD 1 24 GLU QB 4.000 . 5.000 4.321 3.274 5.187 0.187 5 0 "[ . 1 . 2]" 1
42 1 6 ASN QD 1 24 GLU QG 4.000 . 5.000 3.699 1.955 5.071 0.071 19 0 "[ . 1 . 2]" 1
43 1 6 ASN QD 1 25 TRP HD1 4.700 . 6.000 5.288 3.227 5.808 . 0 0 "[ . 1 . 2]" 1
44 1 7 LYS H 1 8 ILE H 6.000 . 6.500 3.713 2.458 4.076 . 0 0 "[ . 1 . 2]" 1
45 1 7 LYS H 1 8 ILE HB 5.100 . 6.000 5.963 5.350 6.055 0.055 14 0 "[ . 1 . 2]" 1
46 1 7 LYS H 1 23 ILE H 6.500 . 7.000 5.372 4.757 6.051 . 0 0 "[ . 1 . 2]" 1
47 1 7 LYS H 1 24 GLU QG 5.000 . 6.000 5.386 3.243 6.069 0.069 9 0 "[ . 1 . 2]" 1
48 1 7 LYS HA 1 7 LYS QG 3.900 . 5.800 3.317 3.232 3.377 . 0 0 "[ . 1 . 2]" 1
49 1 7 LYS HA 1 8 ILE H 3.000 . 3.500 3.243 2.989 3.551 0.051 6 0 "[ . 1 . 2]" 1
50 1 7 LYS HA 1 8 ILE HB 2.200 . 6.000 5.017 4.403 5.439 . 0 0 "[ . 1 . 2]" 1
51 1 7 LYS HA 1 8 ILE MG 2.600 . 6.000 4.794 4.285 5.111 . 0 0 "[ . 1 . 2]" 1
52 1 7 LYS QB 1 8 ILE H 5.000 . 6.000 1.947 1.846 2.778 . 0 0 "[ . 1 . 2]" 1
53 1 7 LYS QG 1 8 ILE HB 4.400 . 4.500 4.150 3.243 5.486 0.986 15 3 "[ * . -1 + 2]" 1
54 1 7 LYS QG 1 8 ILE MG 5.800 . 6.000 2.625 1.860 3.890 . 0 0 "[ . 1 . 2]" 1
55 1 7 LYS QG 1 9 ILE MG 3.700 . 5.400 4.037 2.951 4.418 . 0 0 "[ . 1 . 2]" 1
56 1 7 LYS QG 1 23 ILE H 3.600 . 6.000 5.696 5.608 5.807 . 0 0 "[ . 1 . 2]" 1
57 1 7 LYS QG 1 23 ILE MG 3.900 . 5.600 3.445 1.962 4.843 0.038 14 0 "[ . 1 . 2]" 1
58 1 8 ILE H 1 8 ILE HB 3.500 . 4.000 2.583 2.145 3.370 . 0 0 "[ . 1 . 2]" 1
59 1 8 ILE H 1 8 ILE QG 4.000 . 5.500 2.204 1.854 2.518 . 0 0 "[ . 1 . 2]" 1
60 1 8 ILE H 1 22 LEU QD 6.000 . 7.500 6.518 4.650 7.560 0.060 11 0 "[ . 1 . 2]" 1
61 1 8 ILE H 1 23 ILE QG 4.500 . 6.000 4.556 3.007 6.046 0.046 8 0 "[ . 1 . 2]" 1
62 1 8 ILE HA 1 8 ILE MG 2.800 . 3.500 3.197 3.157 3.211 . 0 0 "[ . 1 . 2]" 1
63 1 8 ILE HA 1 9 ILE H 2.500 . 3.300 2.195 2.141 2.320 . 0 0 "[ . 1 . 2]" 1
64 1 8 ILE MD 1 10 GLY H 4.000 . 5.000 4.433 2.998 5.106 0.106 1 0 "[ . 1 . 2]" 1
65 1 8 ILE QG 1 9 ILE H 6.000 2.800 7.500 3.275 2.736 3.625 0.064 7 0 "[ . 1 . 2]" 1
66 1 8 ILE QG 1 10 GLY H 6.000 . 7.500 5.026 3.816 5.729 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE MG 1 23 ILE MG 5.800 . 5.800 5.410 3.988 5.713 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE H 1 9 ILE MD 4.000 . 5.500 3.841 1.800 4.854 0.000 14 0 "[ . 1 . 2]" 1
69 1 9 ILE H 1 9 ILE QG 4.000 . 4.500 2.368 1.856 2.890 . 0 0 "[ . 1 . 2]" 1
70 1 9 ILE H 1 10 GLY H 3.700 . 4.300 4.369 4.156 4.487 0.187 11 0 "[ . 1 . 2]" 1
71 1 9 ILE H 1 22 LEU QD 6.000 . 7.500 5.312 3.746 7.347 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE H 1 23 ILE H 6.500 . 7.000 6.823 5.749 8.245 1.245 15 2 "[ - . 1 + 2]" 1
73 1 9 ILE H 1 23 ILE QG 6.000 . 7.500 4.823 2.672 6.594 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE HA 1 9 ILE HB 2.400 . 3.100 2.511 2.356 2.858 . 0 0 "[ . 1 . 2]" 1
75 1 9 ILE HA 1 10 GLY H 4.000 . 4.500 2.361 2.074 2.625 . 0 0 "[ . 1 . 2]" 1
76 1 9 ILE HB 1 22 LEU H 5.000 . 5.500 4.713 2.837 6.468 0.968 2 5 "[ + - * 1 * . * 2]" 1
77 1 9 ILE HB 1 23 ILE HA 3.300 . 6.000 5.904 5.450 6.210 0.210 17 0 "[ . 1 . 2]" 1
78 1 9 ILE MD 1 23 ILE H 4.000 . 5.500 4.757 3.546 5.625 0.125 4 0 "[ . 1 . 2]" 1
79 1 9 ILE MG 1 23 ILE MG 3.500 . 4.000 3.410 1.924 4.245 0.245 3 0 "[ . 1 . 2]" 1
80 1 10 GLY H 1 11 SER H 6.000 . 6.500 4.407 3.768 4.546 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLY H 1 21 TYR HA 6.500 . 7.000 6.162 4.532 7.202 0.202 10 0 "[ . 1 . 2]" 1
82 1 10 GLY H 1 21 TYR QD 6.000 . 8.000 3.523 2.732 5.173 . 0 0 "[ . 1 . 2]" 1
83 1 10 GLY H 1 22 LEU H 3.400 . 4.700 4.393 3.245 4.888 0.188 2 0 "[ . 1 . 2]" 1
84 1 10 GLY H 1 24 GLU QB 5.500 . 6.500 6.535 6.088 6.854 0.354 5 0 "[ . 1 . 2]" 1
85 1 10 GLY QA 1 11 SER H 3.000 . 4.000 2.256 2.151 2.317 . 0 0 "[ . 1 . 2]" 1
86 1 10 GLY QA 1 22 LEU H 5.000 . 6.000 5.040 3.930 5.917 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLY HA2 1 11 SER H 2.600 . 3.300 2.369 2.180 2.502 . 0 0 "[ . 1 . 2]" 1
88 1 10 GLY HA3 1 11 SER H 3.300 . 4.500 2.959 2.630 3.429 . 0 0 "[ . 1 . 2]" 1
89 1 11 SER H 1 12 ARG H 6.000 . 6.500 3.896 3.725 4.369 . 0 0 "[ . 1 . 2]" 1
90 1 11 SER H 1 21 TYR HA 6.000 . 6.500 6.415 5.229 6.691 0.191 17 0 "[ . 1 . 2]" 1
91 1 11 SER H 1 21 TYR QD 6.500 . 8.500 3.884 2.311 4.964 . 0 0 "[ . 1 . 2]" 1
92 1 11 SER H 1 21 TYR QE 4.400 . 6.000 5.491 3.273 6.360 0.360 10 0 "[ . 1 . 2]" 1
93 1 11 SER H 1 22 LEU H 6.000 . 6.500 5.466 4.454 6.662 0.162 4 0 "[ . 1 . 2]" 1
94 1 11 SER H 1 33 TRP HH2 5.000 . 5.500 5.799 5.526 8.156 2.656 6 1 "[ .+ 1 . 2]" 1
95 1 11 SER HA 1 12 ARG H 2.400 . 3.100 2.143 1.924 2.419 . 0 0 "[ . 1 . 2]" 1
96 1 11 SER HA 1 20 GLU H 6.000 . 6.500 4.976 4.747 6.563 0.063 6 0 "[ . 1 . 2]" 1
97 1 11 SER HA 1 21 TYR HA 6.000 . 6.500 3.847 2.792 6.198 . 0 0 "[ . 1 . 2]" 1
98 1 11 SER HA 1 21 TYR QD 4.500 . 6.000 3.340 2.738 3.584 . 0 0 "[ . 1 . 2]" 1
99 1 11 SER HA 1 21 TYR QE 4.000 . 5.500 5.348 3.885 5.729 0.229 5 0 "[ . 1 . 2]" 1
100 1 11 SER HA 1 22 LEU H 5.000 . 5.500 3.849 2.843 4.933 . 0 0 "[ . 1 . 2]" 1
101 1 11 SER HA 1 33 TRP HE1 4.000 . 5.600 4.949 4.443 5.604 0.004 17 0 "[ . 1 . 2]" 1
102 1 11 SER QB 1 12 ARG H 3.700 . 4.700 3.534 2.060 3.871 . 0 0 "[ . 1 . 2]" 1
103 1 11 SER QB 1 20 GLU QB 2.900 . 3.900 1.898 1.733 2.896 0.167 5 0 "[ . 1 . 2]" 1
104 1 11 SER QB 1 22 LEU HA 2.500 . 6.000 5.177 3.960 5.926 . 0 0 "[ . 1 . 2]" 1
105 1 11 SER QB 1 25 TRP HH2 4.000 . 5.000 5.041 4.310 5.311 0.311 19 0 "[ . 1 . 2]" 1
106 1 11 SER QB 1 25 TRP HZ3 4.000 . 5.000 4.901 4.048 5.246 0.246 6 0 "[ . 1 . 2]" 1
107 1 12 ARG H 1 12 ARG HB2 3.400 . 4.900 3.336 2.863 3.972 . 0 0 "[ . 1 . 2]" 1
108 1 12 ARG H 1 13 THR H 3.500 3.000 4.900 3.735 3.550 3.952 . 0 0 "[ . 1 . 2]" 1
109 1 12 ARG H 1 19 MET HA 4.500 . 5.500 5.212 5.051 5.316 . 0 0 "[ . 1 . 2]" 1
110 1 12 ARG H 1 20 GLU H 4.000 . 4.500 4.552 4.221 4.892 0.392 6 0 "[ . 1 . 2]" 1
111 1 12 ARG H 1 20 GLU QB 5.500 . 6.500 4.673 4.389 5.318 . 0 0 "[ . 1 . 2]" 1
112 1 12 ARG H 1 21 TYR H 4.000 . 4.500 4.062 2.213 4.643 0.143 10 0 "[ . 1 . 2]" 1
113 1 12 ARG H 1 21 TYR HA 4.100 . 5.500 4.585 3.584 5.711 0.211 6 0 "[ . 1 . 2]" 1
114 1 12 ARG H 1 21 TYR QD 5.000 . 7.000 4.088 3.188 4.903 . 0 0 "[ . 1 . 2]" 1
115 1 12 ARG H 1 21 TYR QE 4.000 . 6.000 6.132 5.138 6.472 0.472 4 0 "[ . 1 . 2]" 1
116 1 12 ARG H 1 22 LEU H 4.700 . 6.000 5.577 4.738 6.042 0.042 15 0 "[ . 1 . 2]" 1
117 1 12 ARG H 1 33 TRP HH2 6.000 . 6.500 4.348 3.876 4.772 . 0 0 "[ . 1 . 2]" 1
118 1 12 ARG HA 1 13 THR H 3.500 . 4.000 2.286 2.224 2.375 . 0 0 "[ . 1 . 2]" 1
119 1 12 ARG HA 1 13 THR HA 5.100 . 6.000 4.387 4.366 4.416 . 0 0 "[ . 1 . 2]" 1
120 1 12 ARG HA 1 19 MET HB2 4.400 . 6.000 5.793 5.486 6.001 0.001 16 0 "[ . 1 . 2]" 1
121 1 12 ARG HA 1 20 GLU HA 3.400 . 4.800 3.339 2.987 3.673 . 0 0 "[ . 1 . 2]" 1
122 1 12 ARG QB 1 13 THR H 4.000 . 5.000 3.842 3.495 4.100 . 0 0 "[ . 1 . 2]" 1
123 1 12 ARG HB2 1 13 THR H 3.700 . 5.400 4.453 3.672 4.669 . 0 0 "[ . 1 . 2]" 1
124 1 12 ARG QG 1 13 THR H 4.000 . 5.000 3.989 3.407 4.596 . 0 0 "[ . 1 . 2]" 1
125 1 13 THR H 1 13 THR HB 4.000 . 4.500 3.054 2.854 3.240 . 0 0 "[ . 1 . 2]" 1
126 1 13 THR H 1 13 THR HG1 4.000 . 5.500 3.276 2.922 3.461 . 0 0 "[ . 1 . 2]" 1
127 1 13 THR H 1 14 ALA H 5.000 . 5.500 2.921 2.773 3.051 . 0 0 "[ . 1 . 2]" 1
128 1 13 THR H 1 20 GLU H 5.500 . 6.000 3.439 2.890 3.856 . 0 0 "[ . 1 . 2]" 1
129 1 13 THR H 1 34 VAL HA 4.500 . 6.000 6.016 5.917 6.079 0.079 16 0 "[ . 1 . 2]" 1
130 1 13 THR H 1 34 VAL QG 5.000 . 6.500 6.344 6.192 6.576 0.076 15 0 "[ . 1 . 2]" 1
131 1 13 THR H 1 35 PRO QB 5.000 . 6.000 5.920 5.432 6.255 0.255 13 0 "[ . 1 . 2]" 1
132 1 13 THR HA 1 14 ALA H 3.000 . 3.500 3.554 3.538 3.566 0.066 13 0 "[ . 1 . 2]" 1
133 1 13 THR HA 1 19 MET HA 3.000 . 3.500 3.738 3.618 3.959 0.459 16 0 "[ . 1 . 2]" 1
134 1 13 THR HA 1 19 MET HG2 5.200 . 6.000 5.072 4.309 5.948 . 0 0 "[ . 1 . 2]" 1
135 1 13 THR HA 1 20 GLU HA 4.600 . 6.000 5.704 5.506 6.029 0.029 17 0 "[ . 1 . 2]" 1
136 1 13 THR HB 1 13 THR HG1 1.900 . 2.300 2.231 2.125 2.313 0.013 1 0 "[ . 1 . 2]" 1
137 1 13 THR HB 1 14 ALA H 1.800 . 2.200 1.846 1.811 1.906 . 0 0 "[ . 1 . 2]" 1
138 1 13 THR HB 1 18 ALA HA 4.000 . 5.200 4.140 3.943 4.300 . 0 0 "[ . 1 . 2]" 1
139 1 13 THR HB 1 19 MET HA 5.000 . 5.500 2.153 1.893 2.666 . 0 0 "[ . 1 . 2]" 1
140 1 13 THR HG1 1 20 GLU H 4.000 . 5.500 1.921 1.796 2.156 0.004 4 0 "[ . 1 . 2]" 1
141 1 13 THR HG1 1 18 ALA H 4.300 . 5.200 5.129 4.498 5.329 0.129 15 0 "[ . 1 . 2]" 1
142 1 13 THR HG1 1 18 ALA MB 3.200 . 4.500 2.266 1.961 2.739 . 0 0 "[ . 1 . 2]" 1
143 1 13 THR HG1 1 19 MET HB2 3.600 . 5.000 4.941 4.541 5.250 0.250 9 0 "[ . 1 . 2]" 1
144 1 13 THR HG1 1 35 PRO HB3 4.600 . 6.000 5.060 4.463 5.978 . 0 0 "[ . 1 . 2]" 1
145 1 14 ALA H 1 14 ALA HA 2.700 . 3.600 2.917 2.901 2.944 . 0 0 "[ . 1 . 2]" 1
146 1 14 ALA H 1 14 ALA MB 2.300 . 3.000 2.692 2.632 2.728 . 0 0 "[ . 1 . 2]" 1
147 1 14 ALA H 1 15 GLY H 2.200 . 2.800 2.269 2.100 2.449 . 0 0 "[ . 1 . 2]" 1
148 1 14 ALA H 1 18 ALA H 4.500 . 5.000 4.135 3.713 4.466 . 0 0 "[ . 1 . 2]" 1
149 1 14 ALA H 1 18 ALA MB 4.000 . 4.900 3.779 3.491 4.013 . 0 0 "[ . 1 . 2]" 1
150 1 14 ALA H 1 19 MET HA 1.800 . 2.200 1.865 1.773 1.926 0.027 17 0 "[ . 1 . 2]" 1
151 1 14 ALA H 1 19 MET HB2 3.400 . 4.700 3.349 2.764 3.752 . 0 0 "[ . 1 . 2]" 1
152 1 14 ALA H 1 20 GLU H 5.000 . 5.500 4.507 4.413 4.714 . 0 0 "[ . 1 . 2]" 1
153 1 14 ALA H 1 20 GLU QB 5.500 . 6.500 6.716 6.534 6.834 0.334 17 0 "[ . 1 . 2]" 1
154 1 14 ALA H 1 20 GLU QG 5.000 . 6.000 5.865 5.413 6.109 0.109 15 0 "[ . 1 . 2]" 1
155 1 14 ALA H 1 34 VAL QG 5.000 . 6.500 6.132 5.662 6.905 0.405 6 0 "[ . 1 . 2]" 1
156 1 14 ALA HA 1 15 GLY H 3.300 . 4.000 3.576 3.558 3.595 . 0 0 "[ . 1 . 2]" 1
157 1 14 ALA HA 1 16 GLU QB 4.100 . 6.000 5.619 5.431 5.808 . 0 0 "[ . 1 . 2]" 1
158 1 14 ALA HA 1 18 ALA MB 4.700 . 6.000 5.804 5.424 5.979 . 0 0 "[ . 1 . 2]" 1
159 1 14 ALA MB 1 15 GLY H 2.300 . 3.000 2.228 2.049 2.338 . 0 0 "[ . 1 . 2]" 1
160 1 14 ALA MB 1 16 GLU H 5.000 . 6.500 2.735 2.603 2.980 . 0 0 "[ . 1 . 2]" 1
161 1 14 ALA MB 1 17 GLY H 4.500 . 6.000 3.171 2.894 3.456 . 0 0 "[ . 1 . 2]" 1
162 1 14 ALA MB 1 18 ALA H 4.000 . 5.500 3.101 2.749 3.525 . 0 0 "[ . 1 . 2]" 1
163 1 14 ALA MB 1 19 MET H 4.000 . 5.500 5.447 5.277 5.566 0.066 4 0 "[ . 1 . 2]" 1
164 1 14 ALA MB 1 19 MET HB2 2.500 . 5.200 4.754 4.120 5.248 0.048 11 0 "[ . 1 . 2]" 1
165 1 15 GLY H 1 15 GLY HA2 2.900 . 3.900 2.485 2.442 2.513 . 0 0 "[ . 1 . 2]" 1
166 1 15 GLY H 1 15 GLY HA3 2.900 . 3.600 2.964 2.958 2.971 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLY H 1 16 GLU H 2.900 . 4.000 2.784 2.573 3.087 . 0 0 "[ . 1 . 2]" 1
168 1 15 GLY H 1 16 GLU QB 6.500 . 7.500 4.432 4.117 4.992 . 0 0 "[ . 1 . 2]" 1
169 1 15 GLY H 1 18 ALA H 3.400 . 4.600 2.977 2.687 3.402 . 0 0 "[ . 1 . 2]" 1
170 1 15 GLY H 1 18 ALA MB 3.100 . 3.900 4.044 3.975 4.095 0.195 12 0 "[ . 1 . 2]" 1
171 1 15 GLY H 1 19 MET QB 5.000 . 6.000 2.954 2.289 3.623 . 0 0 "[ . 1 . 2]" 1
172 1 15 GLY H 1 35 PRO QG 5.000 . 6.000 5.320 4.055 5.955 . 0 0 "[ . 1 . 2]" 1
173 1 15 GLY QA 1 16 GLU H 3.000 . 3.500 2.724 2.621 2.823 . 0 0 "[ . 1 . 2]" 1
174 1 15 GLY HA2 1 16 GLU H 3.800 . 5.200 3.528 3.491 3.566 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLY HA3 1 16 GLU H 3.700 . 4.900 2.836 2.697 2.981 . 0 0 "[ . 1 . 2]" 1
176 1 16 GLU H 1 16 GLU QG 4.500 . 5.500 3.384 2.237 4.054 . 0 0 "[ . 1 . 2]" 1
177 1 16 GLU H 1 17 GLY H 2.900 . 3.800 2.602 2.500 2.667 . 0 0 "[ . 1 . 2]" 1
178 1 16 GLU H 1 18 ALA H 5.000 . 5.500 4.239 3.985 4.718 . 0 0 "[ . 1 . 2]" 1
179 1 16 GLU HA 1 17 GLY H 3.500 . 4.000 3.461 3.349 3.517 . 0 0 "[ . 1 . 2]" 1
180 1 16 GLU QB 1 17 GLY H 4.000 . 5.000 2.999 2.657 3.574 . 0 0 "[ . 1 . 2]" 1
181 1 16 GLU QG 1 17 GLY H 4.000 . 5.000 3.507 1.995 4.538 . 0 0 "[ . 1 . 2]" 1
182 1 16 GLU QG 1 18 ALA H 5.000 . 6.000 4.953 3.147 6.004 0.004 16 0 "[ . 1 . 2]" 1
183 1 17 GLY H 1 17 GLY HA2 2.500 . 3.300 2.921 2.894 2.946 . 0 0 "[ . 1 . 2]" 1
184 1 17 GLY H 1 17 GLY HA3 2.400 . 2.900 2.616 2.541 2.657 . 0 0 "[ . 1 . 2]" 1
185 1 17 GLY H 1 18 ALA H 2.200 . 2.800 2.110 1.902 2.486 . 0 0 "[ . 1 . 2]" 1
186 1 17 GLY H 1 18 ALA MB 4.700 . 6.000 4.219 4.033 4.491 . 0 0 "[ . 1 . 2]" 1
187 1 17 GLY H 1 45 SER H 6.500 . 7.000 6.670 5.524 7.155 0.155 16 0 "[ . 1 . 2]" 1
188 1 17 GLY QA 1 18 ALA H 3.000 . 3.500 2.588 2.398 2.705 . 0 0 "[ . 1 . 2]" 1
189 1 17 GLY HA3 1 18 ALA H 3.100 . 4.000 2.660 2.438 2.808 . 0 0 "[ . 1 . 2]" 1
190 1 18 ALA H 1 18 ALA HA 2.500 . 3.300 2.922 2.890 2.937 . 0 0 "[ . 1 . 2]" 1
191 1 18 ALA H 1 18 ALA MB 2.100 . 2.700 2.460 2.335 2.640 . 0 0 "[ . 1 . 2]" 1
192 1 18 ALA H 1 19 MET H 4.000 . 5.000 4.477 4.415 4.564 . 0 0 "[ . 1 . 2]" 1
193 1 18 ALA H 1 19 MET QB 4.000 . 5.000 4.576 4.167 5.005 0.005 12 0 "[ . 1 . 2]" 1
194 1 18 ALA H 1 19 MET QG 4.000 . 5.000 5.130 5.030 5.197 0.197 14 0 "[ . 1 . 2]" 1
195 1 18 ALA H 1 33 TRP HD1 6.500 . 7.000 6.872 6.051 7.176 0.176 17 0 "[ . 1 . 2]" 1
196 1 18 ALA HA 1 18 ALA MB 2.000 . 2.500 2.131 2.112 2.142 . 0 0 "[ . 1 . 2]" 1
197 1 18 ALA HA 1 19 MET H 2.000 . 2.400 2.337 2.260 2.388 . 0 0 "[ . 1 . 2]" 1
198 1 18 ALA MB 1 25 TRP HH2 5.500 . 6.000 6.031 5.903 6.086 0.086 16 0 "[ . 1 . 2]" 1
199 1 18 ALA MB 1 39 ILE HA 2.900 . 6.000 6.020 5.843 6.126 0.126 17 0 "[ . 1 . 2]" 1
200 1 18 ALA MB 1 39 ILE HB 4.500 . 6.000 5.343 4.728 6.024 0.024 14 0 "[ . 1 . 2]" 1
201 1 18 ALA MB 1 39 ILE MG 5.100 . 6.000 3.434 2.397 4.308 . 0 0 "[ . 1 . 2]" 1
202 1 18 ALA MB 1 40 ALA MB 2.600 . 6.000 5.585 4.032 6.039 0.039 15 0 "[ . 1 . 2]" 1
203 1 18 ALA MB 1 44 VAL HB 4.200 . 6.000 5.921 5.439 6.126 0.126 17 0 "[ . 1 . 2]" 1
204 1 19 MET H 1 19 MET HA 2.400 . 3.100 2.869 2.827 2.902 . 0 0 "[ . 1 . 2]" 1
205 1 19 MET H 1 19 MET HG2 3.700 . 5.400 4.677 4.380 4.855 . 0 0 "[ . 1 . 2]" 1
206 1 19 MET H 1 19 MET QG 3.500 . 4.500 4.182 4.045 4.312 . 0 0 "[ . 1 . 2]" 1
207 1 19 MET H 1 20 GLU H 5.000 . 5.500 2.149 1.892 2.652 . 0 0 "[ . 1 . 2]" 1
208 1 19 MET H 1 36 SER H 6.000 . 6.500 5.024 4.061 5.850 . 0 0 "[ . 1 . 2]" 1
209 1 19 MET HA 1 20 GLU H 3.000 . 3.500 2.966 2.774 3.160 . 0 0 "[ . 1 . 2]" 1
210 1 19 MET QB 1 20 GLU H 4.000 . 5.000 3.785 3.587 3.991 . 0 0 "[ . 1 . 2]" 1
211 1 19 MET HB2 1 19 MET HG2 3.000 . 4.100 2.831 2.504 3.006 . 0 0 "[ . 1 . 2]" 1
212 1 19 MET QG 1 20 GLU H 5.000 . 6.000 4.628 4.378 4.894 . 0 0 "[ . 1 . 2]" 1
213 1 20 GLU H 1 20 GLU QB 3.500 . 4.500 2.891 2.792 3.126 . 0 0 "[ . 1 . 2]" 1
214 1 20 GLU H 1 20 GLU QG 4.000 . 5.000 3.183 2.733 3.601 . 0 0 "[ . 1 . 2]" 1
215 1 20 GLU H 1 21 TYR H 5.000 . 5.500 4.245 3.576 4.412 . 0 0 "[ . 1 . 2]" 1
216 1 20 GLU H 1 21 TYR QD 6.000 2.800 8.000 6.317 5.526 6.641 . 0 0 "[ . 1 . 2]" 1
217 1 20 GLU H 1 34 VAL QG 5.000 . 6.500 4.112 3.824 4.391 . 0 0 "[ . 1 . 2]" 1
218 1 20 GLU H 1 36 SER H 5.500 . 6.000 4.769 3.497 5.696 . 0 0 "[ . 1 . 2]" 1
219 1 20 GLU HA 1 21 TYR H 2.900 . 3.500 2.851 2.145 3.439 . 0 0 "[ . 1 . 2]" 1
220 1 20 GLU HA 1 33 TRP HA 4.500 . 6.000 5.838 5.544 6.059 0.059 10 0 "[ . 1 . 2]" 1
221 1 20 GLU HA 1 35 PRO HA 4.500 . 5.000 4.168 3.603 4.551 . 0 0 "[ . 1 . 2]" 1
222 1 20 GLU HA 1 36 SER H 2.900 . 6.000 5.255 4.390 6.070 0.070 15 0 "[ . 1 . 2]" 1
223 1 20 GLU QB 1 21 TYR H 4.500 . 5.500 2.148 1.770 3.550 0.030 14 0 "[ . 1 . 2]" 1
224 1 20 GLU QB 1 21 TYR QD 4.500 . 6.500 5.123 2.973 6.073 . 0 0 "[ . 1 . 2]" 1
225 1 20 GLU QB 1 22 LEU H 5.500 . 6.500 4.065 2.804 5.810 . 0 0 "[ . 1 . 2]" 1
226 1 20 GLU QB 1 39 ILE MG 2.500 . 6.000 6.023 5.602 6.776 0.776 17 1 "[ . 1 . + 2]" 1
227 1 20 GLU QG 1 21 TYR H 3.800 . 4.800 4.066 3.864 4.559 . 0 0 "[ . 1 . 2]" 1
228 1 20 GLU HG3 1 45 SER HA 2.800 . 6.000 6.174 6.043 6.742 0.742 8 1 "[ . + 1 . 2]" 1
229 1 21 TYR H 1 21 TYR QD 5.000 . 7.000 3.833 1.853 4.490 . 0 0 "[ . 1 . 2]" 1
230 1 21 TYR H 1 25 TRP HH2 3.100 . 4.300 3.644 2.123 4.278 . 0 0 "[ . 1 . 2]" 1
231 1 21 TYR H 1 34 VAL H 5.000 . 5.500 3.783 2.887 4.043 . 0 0 "[ . 1 . 2]" 1
232 1 21 TYR H 1 34 VAL QG 5.000 . 6.500 5.091 3.890 5.556 . 0 0 "[ . 1 . 2]" 1
233 1 21 TYR HA 1 21 TYR QD 4.000 . 6.000 2.892 2.347 3.628 . 0 0 "[ . 1 . 2]" 1
234 1 21 TYR HA 1 21 TYR QE 4.500 . 6.500 5.069 4.544 5.571 . 0 0 "[ . 1 . 2]" 1
235 1 21 TYR HA 1 22 LEU H 2.600 . 3.300 3.193 2.516 3.466 0.166 19 0 "[ . 1 . 2]" 1
236 1 21 TYR HA 1 32 SER H 6.000 . 6.500 5.515 4.646 6.778 0.278 4 0 "[ . 1 . 2]" 1
237 1 21 TYR HA 1 32 SER HA 6.000 . 6.000 5.909 5.201 7.035 1.035 4 3 "[ +. 1 *- 2]" 1
238 1 21 TYR HA 1 33 TRP H 4.500 . 5.000 4.686 4.399 5.548 0.548 4 1 "[ +. 1 . 2]" 1
239 1 21 TYR QB 1 22 LEU H 4.000 . 5.000 2.939 1.772 4.046 0.028 3 0 "[ . 1 . 2]" 1
240 1 21 TYR HB2 1 22 LEU H 3.500 . 4.900 3.740 1.781 4.652 0.219 3 0 "[ . 1 . 2]" 1
241 1 21 TYR HB2 1 25 TRP HH2 3.200 . 4.500 4.539 3.818 5.304 0.804 10 1 "[ . + . 2]" 1
242 1 21 TYR QD 1 22 LEU H 4.000 . 6.000 3.726 2.477 4.569 . 0 0 "[ . 1 . 2]" 1
243 1 21 TYR QD 1 25 TRP HE1 3.600 . 6.000 5.951 5.209 6.101 0.101 7 0 "[ . 1 . 2]" 1
244 1 21 TYR QD 1 25 TRP HZ2 2.400 . 6.000 3.753 3.439 4.204 . 0 0 "[ . 1 . 2]" 1
245 1 21 TYR QD 1 25 TRP HZ3 2.300 . 6.000 5.432 3.149 6.058 0.058 10 0 "[ . 1 . 2]" 1
246 1 21 TYR QD 1 32 SER H 3.900 . 5.000 4.654 3.771 5.795 0.795 15 1 "[ . 1 + 2]" 1
247 1 21 TYR QD 1 34 VAL H 5.000 . 7.000 3.999 3.713 4.800 . 0 0 "[ . 1 . 2]" 1
248 1 21 TYR QE 1 22 LEU H 4.500 . 6.500 5.191 3.625 6.160 . 0 0 "[ . 1 . 2]" 1
249 1 21 TYR QE 1 34 VAL H 6.000 . 8.000 6.107 5.815 6.936 . 0 0 "[ . 1 . 2]" 1
250 1 22 LEU H 1 22 LEU MD1 3.500 . 5.100 3.287 1.966 4.245 . 0 0 "[ . 1 . 2]" 1
251 1 22 LEU H 1 22 LEU QD 3.400 . 4.800 2.865 1.952 3.868 0.048 18 0 "[ . 1 . 2]" 1
252 1 22 LEU H 1 22 LEU HG 4.000 . 5.000 3.048 1.900 4.791 . 0 0 "[ . 1 . 2]" 1
253 1 22 LEU H 1 23 ILE H 3.700 . 5.400 4.343 3.630 4.537 . 0 0 "[ . 1 . 2]" 1
254 1 22 LEU HA 1 23 ILE H 2.300 . 3.000 2.105 1.843 2.552 . 0 0 "[ . 1 . 2]" 1
255 1 22 LEU HA 1 31 PRO HA 3.300 . 6.000 5.435 4.141 6.098 0.098 11 0 "[ . 1 . 2]" 1
256 1 22 LEU HA 1 32 SER H 4.500 . 5.000 4.719 2.639 6.068 1.068 11 5 "[ . 1+* .*-* 2]" 1
257 1 22 LEU HA 1 34 VAL QG 4.500 . 6.500 5.957 4.124 6.791 0.291 8 0 "[ . 1 . 2]" 1
258 1 23 ILE H 1 23 ILE HA 2.200 . 2.800 2.519 2.237 2.810 0.010 5 0 "[ . 1 . 2]" 1
259 1 23 ILE H 1 23 ILE HB 3.500 . 4.500 3.360 1.925 4.196 . 0 0 "[ . 1 . 2]" 1
260 1 23 ILE H 1 23 ILE MG 3.200 . 4.200 2.632 1.920 3.719 . 0 0 "[ . 1 . 2]" 1
261 1 23 ILE H 1 32 SER H 3.700 . 5.000 4.836 3.693 5.408 0.408 17 0 "[ . 1 . 2]" 1
262 1 23 ILE H 1 33 TRP HA 6.000 . 6.500 6.482 5.368 6.802 0.302 6 0 "[ . 1 . 2]" 1
263 1 23 ILE H 1 34 VAL H 6.500 . 7.000 6.897 6.119 7.173 0.173 3 0 "[ . 1 . 2]" 1
264 1 23 ILE HA 1 24 GLU H 4.500 . 5.000 3.139 2.384 3.478 . 0 0 "[ . 1 . 2]" 1
265 1 23 ILE MD 1 32 SER H 5.000 . 6.000 5.734 2.055 8.408 2.408 9 3 "[ -. +1 * . 2]" 1
266 1 23 ILE QG 1 32 SER H 4.500 . 5.500 4.661 2.833 5.782 0.282 9 0 "[ . 1 . 2]" 1
267 1 23 ILE MG 1 32 SER H 2.700 . 6.000 5.116 2.839 6.022 0.022 16 0 "[ . 1 . 2]" 1
268 1 24 GLU H 1 24 GLU QG 4.000 . 5.000 3.950 2.833 4.409 . 0 0 "[ . 1 . 2]" 1
269 1 24 GLU HA 1 25 TRP H 3.000 . 3.500 3.074 2.454 3.547 0.047 7 0 "[ . 1 . 2]" 1
270 1 25 TRP H 1 25 TRP QB 3.500 . 4.500 3.144 2.649 3.356 . 0 0 "[ . 1 . 2]" 1
271 1 25 TRP HA 1 26 LYS H 4.000 . 4.500 2.875 2.681 3.004 . 0 0 "[ . 1 . 2]" 1
272 1 25 TRP QB 1 26 LYS H 4.000 . 5.000 3.346 1.800 4.004 . 12 0 "[ . 1 . 2]" 1
273 1 25 TRP QB 1 27 ASP H 4.500 . 5.500 3.862 2.862 4.843 . 0 0 "[ . 1 . 2]" 1
274 1 25 TRP QB 1 28 GLY H 4.000 . 5.000 3.179 2.593 3.981 . 0 0 "[ . 1 . 2]" 1
275 1 25 TRP QB 1 29 HIS H 4.000 . 5.000 4.441 3.422 5.056 0.056 9 0 "[ . 1 . 2]" 1
276 1 25 TRP HD1 1 31 PRO HA 3.600 . 5.300 4.109 3.738 4.507 . 0 0 "[ . 1 . 2]" 1
277 1 25 TRP HE1 1 31 PRO HA 2.700 . 3.600 2.043 1.815 2.620 . 0 0 "[ . 1 . 2]" 1
278 1 25 TRP HE1 1 32 SER H 3.500 . 4.000 2.773 2.263 3.257 . 0 0 "[ . 1 . 2]" 1
279 1 25 TRP HE1 1 38 TYR QD 3.600 . 5.200 3.654 2.961 4.604 . 0 0 "[ . 1 . 2]" 1
280 1 25 TRP HE1 1 38 TYR QE 3.100 . 6.000 4.461 3.121 6.437 0.437 19 0 "[ . 1 . 2]" 1
281 1 25 TRP HH2 1 32 SER H 3.700 . 5.100 3.899 3.627 4.242 . 0 0 "[ . 1 . 2]" 1
282 1 25 TRP HH2 1 32 SER QB 4.000 . 4.500 3.925 3.679 4.538 0.038 3 0 "[ . 1 . 2]" 1
283 1 25 TRP HH2 1 33 TRP HA 4.000 . 4.500 3.065 2.806 3.204 . 0 0 "[ . 1 . 2]" 1
284 1 25 TRP HH2 1 33 TRP HB2 5.500 . 6.000 5.515 5.271 5.630 . 0 0 "[ . 1 . 2]" 1
285 1 25 TRP HH2 1 33 TRP QB 5.500 . 6.000 5.043 4.805 5.185 . 0 0 "[ . 1 . 2]" 1
286 1 25 TRP HH2 1 36 SER H 4.600 . 6.000 4.713 4.026 5.829 . 0 0 "[ . 1 . 2]" 1
287 1 25 TRP HZ2 1 27 ASP H 6.500 . 7.000 7.010 6.757 7.157 0.157 5 0 "[ . 1 . 2]" 1
288 1 25 TRP HZ2 1 29 HIS H 6.000 . 6.500 6.842 6.522 7.756 1.256 6 3 "[* - .+ 1 . 2]" 1
289 1 25 TRP HZ2 1 33 TRP HB2 5.200 . 6.000 5.882 5.603 6.042 0.042 17 0 "[ . 1 . 2]" 1
290 1 25 TRP HZ3 1 31 PRO HA 3.800 . 6.000 7.064 6.682 7.416 1.416 15 20 [***-**********+*****] 1
291 1 25 TRP HZ3 1 32 SER QB 4.500 . 5.000 5.272 5.066 5.795 0.795 3 1 "[ + . 1 . 2]" 1
292 1 25 TRP HZ3 1 33 TRP HA 4.500 . 5.000 5.191 4.904 5.369 0.369 4 0 "[ . 1 . 2]" 1
293 1 25 TRP HZ3 1 36 SER H 5.000 . 5.500 2.700 2.163 3.538 . 0 0 "[ . 1 . 2]" 1
294 1 25 TRP HZ3 1 39 ILE MG 3.700 . 5.400 5.539 5.410 5.690 0.290 15 0 "[ . 1 . 2]" 1
295 1 26 LYS H 1 26 LYS HB2 3.700 . 5.100 3.270 2.509 3.963 . 0 0 "[ . 1 . 2]" 1
296 1 26 LYS H 1 26 LYS QG 4.000 . 5.000 3.093 2.245 4.334 . 0 0 "[ . 1 . 2]" 1
297 1 26 LYS H 1 27 ASP H 6.000 . 6.500 2.972 2.673 3.622 . 0 0 "[ . 1 . 2]" 1
298 1 26 LYS H 1 28 GLY H 5.500 . 6.000 4.140 2.936 6.081 0.081 14 0 "[ . 1 . 2]" 1
299 1 26 LYS H 1 31 PRO QD 6.000 . 7.000 7.145 7.069 7.248 0.248 18 0 "[ . 1 . 2]" 1
300 1 26 LYS HA 1 26 LYS HB2 2.500 . 3.300 2.837 2.442 3.026 . 0 0 "[ . 1 . 2]" 1
301 1 26 LYS HA 1 27 ASP H 5.000 . 5.500 2.788 2.427 3.040 . 0 0 "[ . 1 . 2]" 1
302 1 26 LYS QB 1 27 ASP H 4.000 . 5.000 3.868 3.685 4.057 . 0 0 "[ . 1 . 2]" 1
303 1 26 LYS QG 1 27 ASP H 4.500 . 5.500 4.449 3.783 4.973 . 0 0 "[ . 1 . 2]" 1
304 1 27 ASP H 1 28 GLY H 4.000 . 4.500 2.904 2.567 3.644 . 0 0 "[ . 1 . 2]" 1
305 1 27 ASP H 1 31 PRO QD 4.500 . 5.000 4.624 4.053 4.922 . 0 0 "[ . 1 . 2]" 1
306 1 27 ASP HA 1 28 GLY H 2.500 . 3.300 2.851 2.070 3.030 . 0 0 "[ . 1 . 2]" 1
307 1 27 ASP HA 1 29 HIS H 4.200 . 6.000 4.122 3.850 4.375 . 0 0 "[ . 1 . 2]" 1
308 1 27 ASP QB 1 28 GLY H 4.000 . 5.000 3.965 3.756 4.072 . 0 0 "[ . 1 . 2]" 1
309 1 27 ASP QB 1 29 HIS H 4.500 . 5.500 5.290 4.925 5.681 0.181 14 0 "[ . 1 . 2]" 1
310 1 28 GLY H 1 28 GLY HA3 2.400 . 2.800 2.324 2.304 2.485 . 0 0 "[ . 1 . 2]" 1
311 1 28 GLY H 1 29 HIS H . . 4.000 3.038 2.297 3.261 . 0 0 "[ . 1 . 2]" 1
312 1 28 GLY H 1 31 PRO QD 4.500 . 5.500 5.143 3.985 5.547 0.047 18 0 "[ . 1 . 2]" 1
313 1 28 GLY QA 1 29 HIS H 4.000 . 5.000 2.533 2.419 2.632 . 0 0 "[ . 1 . 2]" 1
314 1 28 GLY HA3 1 29 HIS H 2.900 . 3.600 2.591 2.460 2.706 . 0 0 "[ . 1 . 2]" 1
315 1 29 HIS H 1 29 HIS HA 2.900 . 3.800 2.921 2.900 2.940 . 0 0 "[ . 1 . 2]" 1
316 1 29 HIS H 1 29 HIS QB 2.600 . 3.300 2.780 2.522 3.120 . 0 0 "[ . 1 . 2]" 1
317 1 29 HIS H 1 30 SER H 5.000 . 5.500 3.752 3.591 3.961 . 0 0 "[ . 1 . 2]" 1
318 1 29 HIS H 1 31 PRO QD 4.000 . 5.000 4.953 4.424 5.202 0.202 2 0 "[ . 1 . 2]" 1
319 1 29 HIS H 1 38 TYR QD 5.000 . 7.000 3.346 2.745 4.677 . 0 0 "[ . 1 . 2]" 1
320 1 29 HIS H 1 38 TYR QE 5.000 . 7.000 3.804 2.583 6.414 . 0 0 "[ . 1 . 2]" 1
321 1 29 HIS H 1 47 TYR QB 4.200 . 6.000 5.298 5.096 5.681 . 0 0 "[ . 1 . 2]" 1
322 1 29 HIS HA 1 29 HIS QB 2.500 . 3.300 2.363 2.188 2.546 . 0 0 "[ . 1 . 2]" 1
323 1 29 HIS HA 1 30 SER H 2.300 . 2.800 2.182 2.114 2.238 . 0 0 "[ . 1 . 2]" 1
324 1 29 HIS QB 1 30 SER H . . 4.000 3.811 3.499 4.020 0.020 9 0 "[ . 1 . 2]" 1
325 1 29 HIS QB 1 37 SER HB2 4.700 . 6.000 5.767 4.304 6.775 0.775 18 3 "[ . 1 * . + -]" 1
326 1 29 HIS QB 1 38 TYR HB2 3.300 . 4.700 2.159 1.894 2.788 0.006 10 0 "[ . 1 . 2]" 1
327 1 29 HIS QB 1 40 ALA H 3.400 . 4.900 5.130 4.510 5.963 1.063 10 6 "[ . **+ *-* 2]" 1
328 1 29 HIS QB 1 47 TYR QB 2.500 . 3.300 2.770 2.578 3.028 . 0 0 "[ . 1 . 2]" 1
329 1 30 SER H 1 30 SER HA 2.700 . 3.500 2.301 2.269 2.327 . 0 0 "[ . 1 . 2]" 1
330 1 30 SER H 1 31 PRO QD 6.000 . 7.000 3.489 3.300 3.619 . 0 0 "[ . 1 . 2]" 1
331 1 30 SER H 1 38 TYR QD 4.400 . 5.400 4.930 4.789 5.146 . 0 0 "[ . 1 . 2]" 1
332 1 30 SER HA 1 30 SER QB 3.400 . 4.500 2.344 2.317 2.390 . 0 0 "[ . 1 . 2]" 1
333 1 30 SER HA 1 31 PRO QD 2.000 . 2.500 1.860 1.800 1.940 . 0 0 "[ . 1 . 2]" 1
334 1 30 SER QB 1 32 SER HA 4.500 . 6.000 4.940 4.276 5.482 . 0 0 "[ . 1 . 2]" 1
335 1 30 SER QB 1 38 TYR HA 5.600 . 6.000 5.948 5.871 6.021 0.021 6 0 "[ . 1 . 2]" 1
336 1 30 SER QB 1 38 TYR HB2 3.300 . 4.600 4.326 4.024 4.594 . 0 0 "[ . 1 . 2]" 1
337 1 31 PRO HA 1 32 SER H 2.200 . 2.800 2.196 2.164 2.247 . 0 0 "[ . 1 . 2]" 1
338 1 32 SER H 1 33 TRP H 5.500 . 5.500 4.367 4.196 4.502 . 0 0 "[ . 1 . 2]" 1
339 1 32 SER H 1 38 TYR QD 6.000 . 8.000 3.418 2.856 4.150 . 0 0 "[ . 1 . 2]" 1
340 1 32 SER H 1 38 TYR QE 3.800 . 5.600 5.112 4.527 5.428 . 0 0 "[ . 1 . 2]" 1
341 1 32 SER HA 1 33 TRP H 3.500 . 4.000 2.473 2.229 2.912 . 0 0 "[ . 1 . 2]" 1
342 1 32 SER HA 1 33 TRP HB2 5.600 . 6.000 4.362 4.065 4.612 . 0 0 "[ . 1 . 2]" 1
343 1 32 SER HA 1 34 VAL HB 5.000 . 6.000 5.860 5.172 6.107 0.107 17 0 "[ . 1 . 2]" 1
344 1 32 SER HA 1 38 TYR HA 4.200 . 6.000 5.458 4.996 6.020 0.020 2 0 "[ . 1 . 2]" 1
345 1 32 SER HA 1 38 TYR HB2 5.900 . 6.000 6.018 5.906 6.065 0.065 15 0 "[ . 1 . 2]" 1
346 1 32 SER HA 1 40 ALA MB 5.200 . 6.000 4.706 3.285 5.891 . 0 0 "[ . 1 . 2]" 1
347 1 33 TRP H 1 33 TRP HB2 3.000 . 3.900 2.756 2.503 3.136 . 0 0 "[ . 1 . 2]" 1
348 1 33 TRP H 1 33 TRP HD1 3.600 . 5.000 4.833 4.669 5.020 0.020 15 0 "[ . 1 . 2]" 1
349 1 33 TRP H 1 33 TRP HE1 6.500 . 7.000 7.001 6.951 7.131 0.131 15 0 "[ . 1 . 2]" 1
350 1 33 TRP H 1 34 VAL H 5.000 . 5.500 3.930 3.614 4.084 . 0 0 "[ . 1 . 2]" 1
351 1 33 TRP HA 1 34 VAL H 3.500 . 4.000 2.165 2.042 2.269 . 0 0 "[ . 1 . 2]" 1
352 1 33 TRP QB 1 34 VAL H 5.000 . 6.000 3.972 3.899 4.020 . 0 0 "[ . 1 . 2]" 1
353 1 33 TRP HB2 1 33 TRP HD1 3.900 . 5.800 3.864 3.745 3.898 . 0 0 "[ . 1 . 2]" 1
354 1 34 VAL H 1 34 VAL QG 4.000 . 5.500 2.607 1.856 3.276 . 0 0 "[ . 1 . 2]" 1
355 1 34 VAL H 1 35 PRO QD 5.000 . 6.000 4.330 4.210 4.444 . 0 0 "[ . 1 . 2]" 1
356 1 34 VAL HA 1 34 VAL HB 2.400 . 2.800 2.784 2.266 3.002 0.202 14 0 "[ . 1 . 2]" 1
357 1 34 VAL HA 1 35 PRO QD 4.000 . 5.000 2.251 1.900 2.810 . 0 0 "[ . 1 . 2]" 1
358 1 34 VAL HB 1 36 SER H 4.500 . 5.000 5.304 4.274 6.960 1.960 8 4 "[ * -+ 1 . *2]" 1
359 1 34 VAL HB 1 38 TYR H 3.300 . 4.300 3.913 3.432 4.675 0.375 19 0 "[ . 1 . 2]" 1
360 1 34 VAL HB 1 38 TYR HA 2.400 . 3.100 2.303 1.954 2.986 . 0 0 "[ . 1 . 2]" 1
361 1 34 VAL HB 1 38 TYR QD 3.600 . 4.900 4.971 4.521 5.238 0.338 6 0 "[ . 1 . 2]" 1
362 1 34 VAL HB 1 39 ILE MG 2.500 . 2.800 2.756 1.863 3.057 0.257 19 0 "[ . 1 . 2]" 1
363 1 34 VAL QG 1 38 TYR H 5.000 . 6.500 2.642 1.862 3.925 . 0 0 "[ . 1 . 2]" 1
364 1 35 PRO QB 1 36 SER H 4.000 . 5.000 3.531 3.052 3.947 . 0 0 "[ . 1 . 2]" 1
365 1 35 PRO QB 1 37 SER H 4.000 . 5.000 4.458 3.983 4.880 . 0 0 "[ . 1 . 2]" 1
366 1 35 PRO QB 1 38 TYR H 5.000 . 6.000 6.146 5.895 6.308 0.308 5 0 "[ . 1 . 2]" 1
367 1 35 PRO QB 1 45 SER H 5.000 . 6.000 4.157 3.153 5.929 . 0 0 "[ . 1 . 2]" 1
368 1 35 PRO QG 1 36 SER H 4.000 . 5.000 4.449 3.040 4.954 . 0 0 "[ . 1 . 2]" 1
369 1 35 PRO QG 1 37 SER H 5.000 . 6.000 4.446 3.589 5.681 . 0 0 "[ . 1 . 2]" 1
370 1 35 PRO HG2 1 46 GLU HB2 2.200 . 6.000 5.704 4.600 6.527 0.527 15 1 "[ . 1 + 2]" 1
371 1 36 SER H 1 36 SER HA 2.400 . 2.900 2.394 2.252 2.778 . 0 0 "[ . 1 . 2]" 1
372 1 36 SER H 1 37 SER H 3.000 . 4.000 2.671 1.869 3.717 0.031 16 0 "[ . 1 . 2]" 1
373 1 36 SER HA 1 37 SER H 4.000 . 4.500 3.195 2.873 3.625 . 0 0 "[ . 1 . 2]" 1
374 1 36 SER QB 1 37 SER H 4.000 . 5.000 3.449 2.226 3.832 . 0 0 "[ . 1 . 2]" 1
375 1 36 SER HB3 1 45 SER QB 5.200 . 6.000 5.114 3.691 6.973 0.973 9 2 "[ . +1- . 2]" 1
376 1 37 SER H 1 37 SER HA 3.000 . 4.000 2.865 2.784 2.944 . 0 0 "[ . 1 . 2]" 1
377 1 37 SER H 1 37 SER HB2 2.600 . 3.400 3.077 2.347 3.471 0.071 18 0 "[ . 1 . 2]" 1
378 1 37 SER H 1 38 TYR H 4.800 . 6.000 3.328 2.271 3.981 . 0 0 "[ . 1 . 2]" 1
379 1 37 SER H 1 38 TYR QD 6.500 . 8.500 5.401 4.951 6.331 . 0 0 "[ . 1 . 2]" 1
380 1 37 SER HA 1 37 SER HB2 2.500 . 3.300 2.906 2.417 3.031 . 0 0 "[ . 1 . 2]" 1
381 1 37 SER HA 1 38 TYR H 2.900 . 3.900 3.416 3.173 3.595 . 0 0 "[ . 1 . 2]" 1
382 1 37 SER HA 1 46 GLU QG 2.600 . 6.000 5.062 3.952 5.769 . 0 0 "[ . 1 . 2]" 1
383 1 37 SER QB 1 38 TYR H 4.000 . 5.000 1.887 1.706 2.379 0.094 11 0 "[ . 1 . 2]" 1
384 1 38 TYR H 1 38 TYR HB2 2.700 . 3.300 3.626 3.537 3.675 0.375 18 0 "[ . 1 . 2]" 1
385 1 38 TYR H 1 38 TYR QD 3.400 . 4.900 3.142 2.383 4.350 . 0 0 "[ . 1 . 2]" 1
386 1 38 TYR H 1 39 ILE H 3.300 . 4.500 3.742 3.394 4.226 . 0 0 "[ . 1 . 2]" 1
387 1 38 TYR H 1 46 GLU HA 2.200 . 2.800 2.751 2.050 2.952 0.152 17 0 "[ . 1 . 2]" 1
388 1 38 TYR H 1 46 GLU QG 4.400 . 4.600 4.108 3.569 4.440 . 0 0 "[ . 1 . 2]" 1
389 1 38 TYR HA 1 38 TYR HB2 2.600 . 3.400 2.689 2.363 2.851 . 0 0 "[ . 1 . 2]" 1
390 1 38 TYR HA 1 38 TYR QD 2.800 . 3.800 3.423 3.035 3.609 . 0 0 "[ . 1 . 2]" 1
391 1 38 TYR HA 1 38 TYR QE 5.000 . 7.000 5.177 4.589 5.486 . 0 0 "[ . 1 . 2]" 1
392 1 38 TYR HA 1 39 ILE H 5.000 . 5.500 2.162 2.063 2.293 . 0 0 "[ . 1 . 2]" 1
393 1 38 TYR QB 1 39 ILE H 5.000 . 6.000 3.478 3.157 3.685 . 0 0 "[ . 1 . 2]" 1
394 1 38 TYR QB 1 40 ALA H 6.000 . 7.000 4.026 3.318 4.930 . 0 0 "[ . 1 . 2]" 1
395 1 38 TYR QD 1 39 ILE MG 3.100 . 4.300 4.106 3.973 4.239 . 0 0 "[ . 1 . 2]" 1
396 1 38 TYR QE 1 47 TYR H 2.500 . 6.000 4.912 3.752 6.047 0.047 5 0 "[ . 1 . 2]" 1
397 1 39 ILE H 1 39 ILE HB 3.800 . 4.500 3.818 3.596 4.031 . 0 0 "[ . 1 . 2]" 1
398 1 39 ILE H 1 40 ALA H 4.500 . 5.000 2.493 1.908 3.225 . 0 0 "[ . 1 . 2]" 1
399 1 39 ILE H 1 41 ALA MB 5.000 . 6.500 5.967 5.629 6.668 0.168 9 0 "[ . 1 . 2]" 1
400 1 39 ILE HA 1 40 ALA H 2.500 . 3.300 2.656 2.218 2.919 . 0 0 "[ . 1 . 2]" 1
401 1 39 ILE HA 1 46 GLU H 2.400 . 6.000 5.090 4.401 6.515 0.515 10 1 "[ . + . 2]" 1
402 1 39 ILE HB 1 40 ALA H 5.000 . 5.500 4.563 4.376 4.661 . 0 0 "[ . 1 . 2]" 1
403 1 39 ILE HB 1 40 ALA HA 3.400 . 6.000 5.758 5.302 6.053 0.053 8 0 "[ . 1 . 2]" 1
404 1 39 ILE HB 1 41 ALA H 3.800 . 6.000 5.534 4.844 6.010 0.010 10 0 "[ . 1 . 2]" 1
405 1 39 ILE HB 1 47 TYR QB 3.500 . 6.000 3.927 1.892 5.054 . 0 0 "[ . 1 . 2]" 1
406 1 39 ILE MG 1 40 ALA H 4.900 . 6.000 4.083 3.789 4.257 . 0 0 "[ . 1 . 2]" 1
407 1 39 ILE MG 1 40 ALA MB 3.500 . 4.500 5.020 4.437 5.248 0.748 16 14 "[*-**.* **1*** .+** *]" 1
408 1 39 ILE MG 1 44 VAL HA 3.400 . 4.600 3.941 2.889 4.769 0.169 17 0 "[ . 1 . 2]" 1
409 1 39 ILE MG 1 44 VAL HB 3.200 . 6.000 4.486 2.152 5.706 . 0 0 "[ . 1 . 2]" 1
410 1 39 ILE MG 1 46 GLU HB2 5.300 . 6.000 4.279 4.000 5.088 . 0 0 "[ . 1 . 2]" 1
411 1 40 ALA H 1 40 ALA MB 2.900 . 4.000 2.183 1.960 2.360 . 0 0 "[ . 1 . 2]" 1
412 1 40 ALA H 1 41 ALA MB 4.100 . 5.800 4.513 4.251 5.393 . 0 0 "[ . 1 . 2]" 1
413 1 40 ALA HA 1 41 ALA H 4.000 . 4.500 2.190 2.138 2.224 . 0 0 "[ . 1 . 2]" 1
414 1 40 ALA HA 1 42 ASP H 4.000 . 4.500 4.013 3.720 4.612 0.112 9 0 "[ . 1 . 2]" 1
415 1 40 ALA MB 1 41 ALA H 4.100 . 5.000 3.539 3.494 3.571 . 0 0 "[ . 1 . 2]" 1
416 1 40 ALA MB 1 43 VAL H 5.000 . 6.500 6.623 6.519 6.774 0.274 17 0 "[ . 1 . 2]" 1
417 1 41 ALA H 1 41 ALA HA 2.300 . 3.000 2.702 2.280 2.907 . 0 0 "[ . 1 . 2]" 1
418 1 41 ALA HA 1 41 ALA MB 3.500 . 5.000 2.129 2.120 2.133 . 0 0 "[ . 1 . 2]" 1
419 1 41 ALA HA 1 42 ASP H 3.500 . 4.000 3.293 2.565 3.568 . 0 0 "[ . 1 . 2]" 1
420 1 41 ALA MB 1 42 ASP H 4.000 . 5.500 2.911 2.175 3.705 . 0 0 "[ . 1 . 2]" 1
421 1 42 ASP H 1 42 ASP HA 2.900 . 3.800 2.549 2.263 2.941 . 0 0 "[ . 1 . 2]" 1
422 1 42 ASP H 1 42 ASP HB2 3.900 . 4.300 3.398 2.593 4.117 . 0 0 "[ . 1 . 2]" 1
423 1 42 ASP H 1 42 ASP QB 3.500 . 4.500 3.038 2.353 3.496 . 0 0 "[ . 1 . 2]" 1
424 1 42 ASP H 1 43 VAL H 3.300 . 4.600 2.894 1.993 3.557 0.007 9 0 "[ . 1 . 2]" 1
425 1 42 ASP HA 1 43 VAL H 3.400 . 4.500 2.756 2.167 3.561 . 0 0 "[ . 1 . 2]" 1
426 1 42 ASP QB 1 43 VAL H 5.000 . 6.000 3.468 1.885 4.081 . 0 0 "[ . 1 . 2]" 1
427 1 43 VAL H 1 43 VAL HB 3.600 . 4.500 3.425 2.613 3.967 . 0 0 "[ . 1 . 2]" 1
428 1 43 VAL H 1 43 VAL QG 3.700 . 5.200 2.500 1.817 2.876 . 0 0 "[ . 1 . 2]" 1
429 1 43 VAL H 1 44 VAL H 3.600 . 4.500 3.316 1.973 4.568 0.068 17 0 "[ . 1 . 2]" 1
430 1 43 VAL HA 1 44 VAL H 3.500 . 4.000 2.998 2.145 3.536 . 0 0 "[ . 1 . 2]" 1
431 1 44 VAL H 1 44 VAL HB 3.100 . 4.200 3.476 2.848 3.976 . 0 0 "[ . 1 . 2]" 1
432 1 44 VAL H 1 44 VAL QG 4.000 . 5.500 2.433 1.820 2.827 . 0 0 "[ . 1 . 2]" 1
433 1 44 VAL H 1 45 SER H 3.500 . 4.500 4.094 1.997 4.532 0.032 7 0 "[ . 1 . 2]" 1
434 1 44 VAL HA 1 44 VAL HB 2.800 . 3.800 2.590 2.347 3.015 . 0 0 "[ . 1 . 2]" 1
435 1 44 VAL HA 1 45 SER H 2.300 . 2.700 2.287 2.071 2.834 0.134 17 0 "[ . 1 . 2]" 1
436 1 44 VAL HA 1 45 SER QB 3.300 . 4.700 4.112 3.793 4.375 . 0 0 "[ . 1 . 2]" 1
437 1 44 VAL HB 1 45 SER H 3.400 . 4.300 3.511 1.936 4.479 0.179 17 0 "[ . 1 . 2]" 1
438 1 44 VAL QG 1 45 SER H 4.000 . 5.500 2.704 1.835 3.682 . 0 0 "[ . 1 . 2]" 1
439 1 44 VAL QG 1 46 GLU H 4.000 . 5.500 3.043 1.876 4.075 . 0 0 "[ . 1 . 2]" 1
440 1 45 SER H 1 45 SER QB 2.900 . 4.000 2.719 2.239 3.121 . 0 0 "[ . 1 . 2]" 1
441 1 45 SER H 1 46 GLU HB2 4.000 . 6.000 5.222 4.375 5.790 . 0 0 "[ . 1 . 2]" 1
442 1 45 SER H 1 47 TYR QD 6.500 . 8.500 8.407 7.427 8.593 0.093 7 0 "[ . 1 . 2]" 1
443 1 45 SER HA 1 45 SER QB 2.200 . 2.800 2.304 2.169 2.373 . 0 0 "[ . 1 . 2]" 1
444 1 45 SER HA 1 46 GLU H 2.500 . 3.300 3.147 2.884 3.259 . 0 0 "[ . 1 . 2]" 1
445 1 45 SER QB 1 46 GLU H 3.900 . 4.500 3.706 3.399 4.009 . 0 0 "[ . 1 . 2]" 1
446 1 46 GLU H 1 46 GLU QG 4.500 . 5.500 4.220 3.873 4.470 . 0 0 "[ . 1 . 2]" 1
447 1 46 GLU H 1 47 TYR H 3.300 . 3.600 4.234 4.042 4.377 0.777 1 18 "[+**** ***** **-*****]" 1
448 1 46 GLU HA 1 46 GLU HB2 2.700 . 3.500 2.549 2.237 2.869 . 0 0 "[ . 1 . 2]" 1
449 1 46 GLU HA 1 47 TYR H 2.400 . 3.000 2.285 2.167 2.638 . 0 0 "[ . 1 . 2]" 1
450 1 46 GLU QB 1 47 TYR H 4.000 . 5.000 3.345 2.320 3.629 . 0 0 "[ . 1 . 2]" 1
451 1 46 GLU HB2 1 47 TYR HA 4.300 . 6.000 5.906 5.395 6.024 0.024 17 0 "[ . 1 . 2]" 1
452 1 46 GLU QG 1 47 TYR H 4.000 . 5.000 2.364 1.923 3.285 . 0 0 "[ . 1 . 2]" 1
453 1 47 TYR H 1 47 TYR QB 2.700 . 3.600 2.353 2.180 2.744 . 0 0 "[ . 1 . 2]" 1
454 1 47 TYR H 1 47 TYR QD 4.000 . 6.000 3.856 1.929 4.405 . 0 0 "[ . 1 . 2]" 1
455 1 47 TYR H 1 47 TYR QE 6.000 . 8.000 5.875 3.861 6.422 . 0 0 "[ . 1 . 2]" 1
456 1 47 TYR HA 1 47 TYR QB 2.900 . 3.800 2.345 2.184 2.470 . 0 0 "[ . 1 . 2]" 1
457 1 47 TYR HA 1 47 TYR QD 4.000 . 6.000 2.594 2.000 3.739 . 0 0 "[ . 1 . 2]" 1
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