NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380070 |
1i8x   |
4971 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i8x
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 752
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 136.537
_Distance_constraint_stats_list.Viol_max 0.723
_Distance_constraint_stats_list.Viol_rms 0.0228
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0653
_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 1 VAL 0.378 0.202 4 0 "[ . 1]"
1 2 ILE 1.270 0.271 9 0 "[ . 1]"
1 3 HIS 1.583 0.509 3 1 "[ + . 1]"
1 5 ASP 3.692 0.509 3 1 "[ + . 1]"
1 6 ALA 0.058 0.026 7 0 "[ . 1]"
1 7 ALA 0.040 0.026 7 0 "[ . 1]"
1 8 THR 0.946 0.271 9 0 "[ . 1]"
1 9 ILE 0.312 0.040 4 0 "[ . 1]"
1 10 CYS 0.289 0.066 9 0 "[ . 1]"
1 11 PRO 2.653 0.542 9 1 "[ . +1]"
1 12 ASP 3.572 0.723 9 2 "[ . -+1]"
1 13 GLY 0.552 0.308 8 0 "[ . 1]"
1 14 THR 1.076 0.445 2 0 "[ . 1]"
1 15 THR 0.020 0.013 8 0 "[ . 1]"
1 16 CYS 3.826 0.509 3 1 "[ + . 1]"
1 17 SER 0.778 0.213 9 0 "[ . 1]"
1 18 LEU 0.996 0.213 9 0 "[ . 1]"
1 19 SER 0.014 0.010 10 0 "[ . 1]"
1 20 PRO 0.697 0.084 10 0 "[ . 1]"
1 21 TYR 1.305 0.213 9 0 "[ . 1]"
1 22 GLY 0.700 0.213 9 0 "[ . 1]"
1 23 VAL 0.755 0.213 9 0 "[ . 1]"
1 24 TRP 4.052 0.509 3 1 "[ + . 1]"
1 25 TYR 1.015 0.352 1 0 "[ . 1]"
1 26 CYS 0.388 0.046 10 0 "[ . 1]"
1 27 SER 0.944 0.542 9 1 "[ . +1]"
1 28 PRO 2.399 0.445 2 0 "[ . 1]"
1 29 PHE 2.088 0.509 3 1 "[ + . 1]"
1 30 SER 0.650 0.181 4 0 "[ . 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 1 VAL HA 1 2 ILE H 2.200 . 2.800 2.546 2.223 2.739 . 0 0 "[ . 1]" 1
2 1 1 VAL HA 1 2 ILE HA 2.400 . 3.100 3.037 2.887 3.143 0.043 8 0 "[ . 1]" 1
3 1 1 VAL HA 1 1 VAL MG1 1.800 . 2.200 2.166 2.110 2.208 0.008 3 0 "[ . 1]" 1
4 1 1 VAL HA 1 1 VAL MG2 5.100 . 6.000 3.187 3.163 3.198 . 0 0 "[ . 1]" 1
5 1 1 VAL HA 1 2 ILE H 2.500 . 3.300 2.557 2.225 2.757 . 0 0 "[ . 1]" 1
6 1 1 VAL HA 1 2 ILE HB 5.100 . 6.000 4.749 4.441 4.883 . 0 0 "[ . 1]" 1
7 1 1 VAL HA 1 2 ILE MD 5.100 . 6.000 3.300 2.507 3.706 . 0 0 "[ . 1]" 1
8 1 1 VAL HA 1 2 ILE MG 5.100 . 6.000 5.075 5.029 5.163 . 0 0 "[ . 1]" 1
9 1 1 VAL HA 1 2 ILE MG 5.100 . 6.000 5.162 5.108 5.242 . 0 0 "[ . 1]" 1
10 1 1 VAL HA 1 3 HIS HD2 3.300 . 4.700 2.335 1.906 2.495 . 0 0 "[ . 1]" 1
11 1 1 VAL HA 1 3 HIS HE1 3.200 . 4.500 3.831 3.729 3.955 . 0 0 "[ . 1]" 1
12 1 1 VAL HA 1 9 ILE H 3.300 . 4.700 3.836 3.732 3.960 . 0 0 "[ . 1]" 1
13 1 1 VAL HA 1 9 ILE MG 2.800 . 6.000 4.399 4.059 4.571 . 0 0 "[ . 1]" 1
14 1 1 VAL HA 1 9 ILE MG 5.100 . 6.000 4.133 3.917 4.232 . 0 0 "[ . 1]" 1
15 1 1 VAL HA 1 11 PRO HA 5.100 . 6.000 3.486 3.259 3.846 . 0 0 "[ . 1]" 1
16 1 1 VAL HA 1 11 PRO HB2 5.100 . 6.000 3.865 3.826 3.914 . 0 0 "[ . 1]" 1
17 1 1 VAL HA 1 11 PRO HB3 5.100 . 6.000 2.282 2.226 2.310 . 0 0 "[ . 1]" 1
18 1 1 VAL HA 1 12 ASP H 2.700 . 3.600 3.193 2.941 3.564 . 0 0 "[ . 1]" 1
19 1 1 VAL HB 1 1 VAL MG1 5.100 . 6.000 2.102 2.083 2.123 . 0 0 "[ . 1]" 1
20 1 1 VAL HB 1 1 VAL MG2 5.100 . 6.000 2.110 2.086 2.130 . 0 0 "[ . 1]" 1
21 1 1 VAL HB 1 2 ILE H 2.200 . 2.800 1.873 1.649 2.329 . 0 0 "[ . 1]" 1
22 1 1 VAL HB 1 2 ILE HA 2.800 . 6.000 4.189 4.043 4.477 . 0 0 "[ . 1]" 1
23 1 1 VAL HB 1 2 ILE HB 2.700 . 6.000 4.634 4.275 5.004 . 0 0 "[ . 1]" 1
24 1 1 VAL HB 1 2 ILE QG 5.100 . 6.000 4.132 3.628 5.095 . 0 0 "[ . 1]" 1
25 1 1 VAL HB 1 3 HIS HD2 6.000 . 6.000 4.189 2.933 5.189 . 0 0 "[ . 1]" 1
26 1 1 VAL HB 1 9 ILE HB 2.500 . 6.000 5.054 4.716 5.469 . 0 0 "[ . 1]" 1
27 1 1 VAL HB 1 9 ILE MD 2.500 . 6.000 5.123 4.507 5.653 . 0 0 "[ . 1]" 1
28 1 1 VAL HB 1 9 ILE MG 2.000 . 2.500 2.332 2.065 2.522 0.022 8 0 "[ . 1]" 1
29 1 1 VAL HB 1 12 ASP H 6.000 . 6.000 4.396 3.139 4.638 . 0 0 "[ . 1]" 1
30 1 1 VAL HB 1 11 PRO HA 5.900 . 6.000 3.990 3.803 4.095 . 0 0 "[ . 1]" 1
31 1 1 VAL HB 1 10 CYS HB3 5.100 . 6.000 5.741 4.754 6.012 0.012 3 0 "[ . 1]" 1
32 1 1 VAL HB 1 11 PRO HA 5.100 . 6.000 4.502 4.091 5.265 . 0 0 "[ . 1]" 1
33 1 1 VAL MG1 1 2 ILE H 3.100 . 4.300 3.272 3.116 3.477 . 0 0 "[ . 1]" 1
34 1 1 VAL MG1 1 3 HIS HD2 3.300 . 4.600 3.966 3.687 4.183 . 0 0 "[ . 1]" 1
35 1 1 VAL MG1 1 8 THR HB 2.800 . 6.000 4.468 4.181 4.774 . 0 0 "[ . 1]" 1
36 1 1 VAL MG1 1 1 VAL MG2 5.100 . 6.000 2.024 1.911 2.073 . 0 0 "[ . 1]" 1
37 1 1 VAL MG1 1 2 ILE H 2.800 . 3.800 3.031 2.939 3.152 . 0 0 "[ . 1]" 1
38 1 1 VAL MG1 1 2 ILE HA 1.700 . 6.000 2.178 2.046 2.419 . 0 0 "[ . 1]" 1
39 1 1 VAL MG1 1 3 HIS H 2.500 . 3.300 2.534 1.956 3.054 . 0 0 "[ . 1]" 1
40 1 1 VAL MG1 1 12 ASP H 2.900 . 3.900 3.183 2.906 3.471 . 0 0 "[ . 1]" 1
41 1 1 VAL MG1 1 13 GLY H 3.000 . 4.100 3.903 3.580 4.125 0.025 9 0 "[ . 1]" 1
42 1 1 VAL MG1 1 3 HIS HD2 3.600 . 5.200 4.166 3.866 4.465 . 0 0 "[ . 1]" 1
43 1 1 VAL MG1 1 10 CYS HA 2.600 . 6.000 3.450 3.366 3.609 . 0 0 "[ . 1]" 1
44 1 1 VAL MG1 1 9 ILE MG 5.100 . 6.000 2.652 2.262 2.961 . 0 0 "[ . 1]" 1
45 1 1 VAL MG1 1 10 CYS HA 5.100 . 6.000 3.723 3.515 3.954 . 0 0 "[ . 1]" 1
46 1 1 VAL MG1 1 11 PRO HA 5.100 . 6.000 3.285 2.691 3.773 . 0 0 "[ . 1]" 1
47 1 1 VAL MG1 1 11 PRO HA 5.900 . 6.000 3.239 2.687 3.681 . 0 0 "[ . 1]" 1
48 1 1 VAL MG1 1 11 PRO HB2 5.100 . 6.000 5.636 4.938 6.202 0.202 4 0 "[ . 1]" 1
49 1 1 VAL MG1 1 11 PRO HB2 2.200 . 6.000 2.862 2.131 3.470 . 0 0 "[ . 1]" 1
50 1 1 VAL MG1 1 11 PRO HB3 5.100 . 6.000 3.547 2.748 3.920 . 0 0 "[ . 1]" 1
51 1 1 VAL MG1 1 11 PRO HB3 1.700 . 6.000 3.268 2.691 3.652 . 0 0 "[ . 1]" 1
52 1 1 VAL MG1 1 11 PRO HD2 5.900 . 6.000 3.066 2.338 3.694 . 0 0 "[ . 1]" 1
53 1 1 VAL MG1 1 12 ASP H 3.000 . 4.100 3.195 2.912 3.492 . 0 0 "[ . 1]" 1
54 1 1 VAL MG1 1 13 GLY H 6.000 . 6.000 4.037 3.593 4.497 . 0 0 "[ . 1]" 1
55 1 1 VAL MG1 1 13 GLY HA2 5.900 . 6.000 4.478 4.186 4.783 . 0 0 "[ . 1]" 1
56 1 1 VAL MG1 1 24 TRP QB 5.100 . 6.000 4.818 4.684 4.979 . 0 0 "[ . 1]" 1
57 1 1 VAL MG2 1 2 ILE H 2.800 . 3.800 3.126 2.794 3.500 . 0 0 "[ . 1]" 1
58 1 1 VAL MG2 1 2 ILE HA 2.700 . 6.000 3.982 3.755 4.152 . 0 0 "[ . 1]" 1
59 1 1 VAL MG2 1 2 ILE HA 2.700 . 6.000 4.086 3.805 4.295 . 0 0 "[ . 1]" 1
60 1 1 VAL MG2 1 3 HIS H 3.600 . 5.200 4.580 3.965 5.173 . 0 0 "[ . 1]" 1
61 1 1 VAL MG2 1 3 HIS HD2 3.700 . 5.400 2.473 2.050 3.338 . 0 0 "[ . 1]" 1
62 1 1 VAL MG2 1 3 HIS HD2 3.200 . 4.500 2.468 2.047 3.317 . 0 0 "[ . 1]" 1
63 1 1 VAL MG2 1 3 HIS HE1 3.700 . 5.400 4.449 3.935 5.131 . 0 0 "[ . 1]" 1
64 1 1 VAL MG2 1 3 HIS HE1 2.600 . 3.400 3.098 2.704 3.369 . 0 0 "[ . 1]" 1
65 1 1 VAL MG2 1 9 ILE H 2.900 . 3.900 3.333 2.507 3.847 . 0 0 "[ . 1]" 1
66 1 1 VAL MG2 1 9 ILE HB 2.600 . 6.000 4.848 4.486 5.517 . 0 0 "[ . 1]" 1
67 1 1 VAL MG2 1 9 ILE HB 2.000 . 2.500 2.268 2.003 2.464 . 0 0 "[ . 1]" 1
68 1 1 VAL MG2 1 12 ASP H 3.800 . 5.600 5.397 5.201 5.576 . 0 0 "[ . 1]" 1
69 1 1 VAL MG2 1 9 ILE HG12 5.100 . 6.000 3.995 3.186 4.488 . 0 0 "[ . 1]" 1
70 1 1 VAL MG2 1 9 ILE MG 5.100 . 6.000 2.277 1.785 2.883 . 0 0 "[ . 1]" 1
71 1 1 VAL MG2 1 11 PRO HA 2.500 . 6.000 5.569 5.285 6.011 0.011 9 0 "[ . 1]" 1
72 1 2 ILE H 1 2 ILE HA 2.600 . 3.400 2.785 2.636 2.851 . 0 0 "[ . 1]" 1
73 1 2 ILE H 1 2 ILE HB 2.400 . 3.100 2.528 2.351 2.658 . 0 0 "[ . 1]" 1
74 1 2 ILE H 1 2 ILE MD 2.800 . 3.700 2.994 2.471 3.291 . 0 0 "[ . 1]" 1
75 1 2 ILE H 1 2 ILE QG 2.800 . 3.800 2.285 1.931 3.537 . 0 0 "[ . 1]" 1
76 1 2 ILE H 1 2 ILE MG 2.700 . 3.600 3.589 3.488 3.666 0.066 9 0 "[ . 1]" 1
77 1 2 ILE H 1 3 HIS H 6.000 . 6.000 4.130 3.884 4.272 . 0 0 "[ . 1]" 1
78 1 2 ILE H 1 3 HIS HA 2.800 . 6.000 3.878 3.605 4.142 . 0 0 "[ . 1]" 1
79 1 2 ILE H 1 3 HIS QB 6.000 . 6.000 4.943 4.806 5.075 . 0 0 "[ . 1]" 1
80 1 2 ILE H 1 10 CYS HB3 2.500 . 6.000 3.375 3.043 3.500 . 0 0 "[ . 1]" 1
81 1 2 ILE H 1 9 ILE H 6.000 . 6.000 4.462 4.397 4.521 . 0 0 "[ . 1]" 1
82 1 2 ILE H 1 9 ILE HA 2.200 . 2.800 2.203 2.143 2.311 . 0 0 "[ . 1]" 1
83 1 2 ILE H 1 9 ILE HB 2.900 . 3.900 3.824 3.485 3.913 0.013 3 0 "[ . 1]" 1
84 1 2 ILE H 1 9 ILE QG 3.600 . 5.200 4.115 4.006 4.234 . 0 0 "[ . 1]" 1
85 1 2 ILE H 1 9 ILE MG 2.700 . 3.600 2.141 1.900 2.438 . 0 0 "[ . 1]" 1
86 1 2 ILE H 1 10 CYS HA 2.800 . 3.800 2.911 2.889 2.925 . 0 0 "[ . 1]" 1
87 1 2 ILE H 1 10 CYS HB3 2.900 . 4.000 3.472 3.082 3.611 . 0 0 "[ . 1]" 1
88 1 2 ILE H 1 12 ASP H 6.000 . 6.000 4.345 3.342 4.821 . 0 0 "[ . 1]" 1
89 1 2 ILE HA 1 3 HIS QB 5.100 . 6.000 4.130 3.981 4.236 . 0 0 "[ . 1]" 1
90 1 2 ILE HA 1 2 ILE HB 5.100 . 6.000 2.980 2.965 2.995 . 0 0 "[ . 1]" 1
91 1 2 ILE HA 1 2 ILE MD 2.100 . 2.600 1.852 1.681 2.163 . 0 0 "[ . 1]" 1
92 1 2 ILE HA 1 2 ILE QG 2.200 . 2.800 2.487 2.235 2.798 . 0 0 "[ . 1]" 1
93 1 2 ILE HA 1 2 ILE MG 5.100 . 6.000 2.187 2.050 2.436 . 0 0 "[ . 1]" 1
94 1 2 ILE HA 1 3 HIS H 2.000 . 2.500 2.187 2.139 2.361 . 0 0 "[ . 1]" 1
95 1 2 ILE HA 1 3 HIS HD2 2.200 . 6.000 4.300 3.484 5.100 . 0 0 "[ . 1]" 1
96 1 2 ILE HA 1 3 HIS HD2 3.400 . 4.900 4.185 3.447 4.889 . 0 0 "[ . 1]" 1
97 1 2 ILE HA 1 9 ILE MG 5.100 . 6.000 4.860 4.560 5.227 . 0 0 "[ . 1]" 1
98 1 2 ILE HB 1 2 ILE MD 5.100 . 6.000 3.137 2.258 3.239 . 0 0 "[ . 1]" 1
99 1 2 ILE HB 1 2 ILE QG 5.100 . 6.000 2.214 2.185 2.458 . 0 0 "[ . 1]" 1
100 1 2 ILE HB 1 2 ILE MG 5.100 . 6.000 2.095 2.078 2.123 . 0 0 "[ . 1]" 1
101 1 2 ILE HB 1 3 HIS H 2.900 . 6.000 3.965 3.319 4.403 . 0 0 "[ . 1]" 1
102 1 2 ILE HB 1 10 CYS HB2 2.100 . 2.700 1.844 1.548 2.177 . 0 0 "[ . 1]" 1
103 1 2 ILE HB 1 10 CYS HB3 2.500 . 3.300 3.023 2.668 3.288 . 0 0 "[ . 1]" 1
104 1 2 ILE HB 1 12 ASP H 6.000 . 6.000 5.867 4.926 6.023 0.023 3 0 "[ . 1]" 1
105 1 2 ILE HB 1 25 TYR HB2 5.100 . 6.000 5.034 4.688 5.525 . 0 0 "[ . 1]" 1
106 1 2 ILE HB 1 26 CYS HB3 5.900 . 6.000 5.048 4.696 5.543 . 0 0 "[ . 1]" 1
107 1 2 ILE MD 1 12 ASP H 3.300 . 4.700 3.779 3.567 3.989 . 0 0 "[ . 1]" 1
108 1 2 ILE MD 1 11 PRO HG2 6.000 . 6.000 5.888 5.447 6.271 0.271 9 0 "[ . 1]" 1
109 1 2 ILE MD 1 12 ASP H 3.600 . 5.200 4.011 3.713 4.337 . 0 0 "[ . 1]" 1
110 1 2 ILE MD 1 25 TYR QB 5.100 . 6.000 5.104 4.652 5.442 . 0 0 "[ . 1]" 1
111 1 2 ILE MD 1 2 ILE MG 5.100 . 6.000 2.153 1.915 3.117 . 0 0 "[ . 1]" 1
112 1 2 ILE MD 1 3 HIS H 3.400 . 4.800 4.067 3.809 4.818 0.018 1 0 "[ . 1]" 1
113 1 2 ILE MD 1 3 HIS HB2 5.100 . 6.000 2.675 2.330 2.930 . 0 0 "[ . 1]" 1
114 1 2 ILE MD 1 3 HIS HD2 3.100 . 4.300 3.971 3.773 4.121 . 0 0 "[ . 1]" 1
115 1 2 ILE MD 1 7 ALA H 6.000 . 6.000 5.107 3.631 5.877 . 0 0 "[ . 1]" 1
116 1 2 ILE MD 1 9 ILE HB 5.100 . 6.000 4.012 3.316 4.280 . 0 0 "[ . 1]" 1
117 1 2 ILE MD 1 13 GLY HA2 5.100 . 6.000 2.108 2.085 2.133 . 0 0 "[ . 1]" 1
118 1 2 ILE MD 1 10 CYS HA 5.100 . 6.000 3.964 3.766 4.149 . 0 0 "[ . 1]" 1
119 1 2 ILE MD 1 16 CYS H 2.500 . 3.300 3.197 2.849 3.340 0.040 4 0 "[ . 1]" 1
120 1 2 ILE MD 1 9 ILE MD 5.100 . 6.000 5.314 4.412 5.655 . 0 0 "[ . 1]" 1
121 1 2 ILE MD 1 9 ILE MG 5.100 . 6.000 4.658 4.442 4.840 . 0 0 "[ . 1]" 1
122 1 2 ILE MD 1 10 CYS HB3 2.400 . 6.000 4.301 3.088 4.582 . 0 0 "[ . 1]" 1
123 1 2 ILE MD 1 14 THR HA 2.900 . 6.000 5.305 4.610 5.731 . 0 0 "[ . 1]" 1
124 1 2 ILE MD 1 24 TRP HE3 6.000 . 6.000 4.975 4.391 5.587 . 0 0 "[ . 1]" 1
125 1 2 ILE MD 1 18 LEU MD2 5.100 . 6.000 5.957 5.776 6.028 0.028 6 0 "[ . 1]" 1
126 1 2 ILE MD 1 24 TRP HE3 6.000 . 6.000 5.124 4.442 5.882 . 0 0 "[ . 1]" 1
127 1 2 ILE MD 1 13 GLY HA2 5.900 . 6.000 4.620 4.010 4.976 . 0 0 "[ . 1]" 1
128 1 2 ILE QG 1 13 GLY HA2 2.400 . 6.000 3.858 3.362 4.376 . 0 0 "[ . 1]" 1
129 1 2 ILE QG 1 10 CYS HB2 5.100 . 6.000 3.071 2.590 3.652 . 0 0 "[ . 1]" 1
130 1 2 ILE QG 1 2 ILE MG 5.100 . 6.000 2.253 1.977 2.367 . 0 0 "[ . 1]" 1
131 1 2 ILE QG 1 3 HIS H 3.500 . 5.000 4.538 4.042 4.717 . 0 0 "[ . 1]" 1
132 1 2 ILE QG 1 3 HIS HD2 3.700 . 5.400 4.532 3.988 4.928 . 0 0 "[ . 1]" 1
133 1 2 ILE QG 1 10 CYS HB3 3.000 . 4.100 3.179 2.889 4.110 0.010 1 0 "[ . 1]" 1
134 1 2 ILE HG13 1 5 ASP HB2 5.900 . 6.000 5.184 4.550 5.428 . 0 0 "[ . 1]" 1
135 1 2 ILE MG 1 12 ASP H 6.000 . 6.000 5.919 5.710 6.026 0.026 8 0 "[ . 1]" 1
136 1 2 ILE MG 1 14 THR HA 2.500 . 6.000 4.931 4.703 5.142 . 0 0 "[ . 1]" 1
137 1 2 ILE MG 1 16 CYS HB3 5.900 . 6.000 3.942 3.306 4.397 . 0 0 "[ . 1]" 1
138 1 2 ILE MG 1 3 HIS H 2.600 . 3.500 2.537 1.956 3.062 . 0 0 "[ . 1]" 1
139 1 2 ILE MG 1 3 HIS QB 5.100 . 6.000 4.362 4.012 4.621 . 0 0 "[ . 1]" 1
140 1 2 ILE MG 1 3 HIS HD2 3.300 . 4.600 3.388 3.038 3.694 . 0 0 "[ . 1]" 1
141 1 2 ILE MG 1 5 ASP H 6.000 . 6.000 3.731 3.220 4.044 . 0 0 "[ . 1]" 1
142 1 2 ILE MG 1 5 ASP HB3 5.100 . 6.000 4.558 4.293 4.817 . 0 0 "[ . 1]" 1
143 1 2 ILE MG 1 9 ILE MG 5.100 . 6.000 3.126 2.895 3.172 . 0 0 "[ . 1]" 1
144 1 2 ILE MG 1 10 CYS HB3 5.100 . 6.000 4.027 3.528 4.565 . 0 0 "[ . 1]" 1
145 1 2 ILE MG 1 24 TRP HD1 3.700 . 6.000 5.999 5.904 6.026 0.026 9 0 "[ . 1]" 1
146 1 2 ILE MG 1 14 THR H 2.700 . 3.600 3.070 2.838 3.380 . 0 0 "[ . 1]" 1
147 1 2 ILE MG 1 26 CYS HB3 2.100 . 6.000 3.030 2.828 3.311 . 0 0 "[ . 1]" 1
148 1 2 ILE MG 1 15 THR H 2.700 . 3.600 3.472 3.222 3.593 . 0 0 "[ . 1]" 1
149 1 2 ILE MG 1 25 TYR QE 3.600 . 6.000 5.005 4.817 5.185 . 0 0 "[ . 1]" 1
150 1 2 ILE MG 1 29 PHE H 3.300 . 4.600 3.945 3.591 4.410 . 0 0 "[ . 1]" 1
151 1 2 ILE MG 1 15 THR HA 2.500 . 3.300 3.114 2.842 3.298 . 0 0 "[ . 1]" 1
152 1 2 ILE MG 1 15 THR HB 6.000 . 6.000 5.055 4.687 5.346 . 0 0 "[ . 1]" 1
153 1 2 ILE MG 1 16 CYS HB3 5.100 . 6.000 4.100 3.338 4.679 . 0 0 "[ . 1]" 1
154 1 2 ILE MG 1 17 SER HB3 2.400 . 6.000 3.588 3.438 3.797 . 0 0 "[ . 1]" 1
155 1 2 ILE MG 1 18 LEU MD2 5.100 . 6.000 4.276 4.131 4.462 . 0 0 "[ . 1]" 1
156 1 2 ILE MG 1 25 TYR QD 2.100 . 6.000 4.692 4.388 4.943 . 0 0 "[ . 1]" 1
157 1 2 ILE MG 1 25 TYR QE 2.300 . 6.000 5.482 5.171 5.815 . 0 0 "[ . 1]" 1
158 1 3 HIS H 1 3 HIS HA 2.800 . 3.800 2.937 2.920 2.949 . 0 0 "[ . 1]" 1
159 1 3 HIS H 1 3 HIS QB 2.100 . 2.700 2.425 2.173 2.650 . 0 0 "[ . 1]" 1
160 1 3 HIS H 1 3 HIS HD2 3.300 . 4.600 3.728 3.191 4.283 . 0 0 "[ . 1]" 1
161 1 3 HIS HA 1 3 HIS QB 5.100 . 6.000 2.478 2.425 2.530 . 0 0 "[ . 1]" 1
162 1 3 HIS HA 1 9 ILE MG 5.100 . 6.000 4.132 3.731 4.531 . 0 0 "[ . 1]" 1
163 1 3 HIS QB 1 5 ASP HA 5.100 . 6.000 5.497 5.286 5.657 . 0 0 "[ . 1]" 1
164 1 3 HIS QB 1 3 HIS HD2 2.300 . 3.000 2.326 2.287 2.403 . 0 0 "[ . 1]" 1
165 1 3 HIS QB 1 3 HIS HD2 2.500 . 3.300 2.730 2.616 2.995 . 0 0 "[ . 1]" 1
166 1 3 HIS QB 1 3 HIS HE1 2.200 . 2.800 2.271 2.231 2.314 . 0 0 "[ . 1]" 1
167 1 3 HIS QB 1 6 ALA H 2.300 . 3.000 2.740 2.447 2.999 . 0 0 "[ . 1]" 1
168 1 3 HIS QB 1 6 ALA H 2.700 . 3.600 2.781 2.456 3.067 . 0 0 "[ . 1]" 1
169 1 3 HIS QB 1 6 ALA HA 5.100 . 6.000 2.377 1.933 3.351 . 0 0 "[ . 1]" 1
170 1 3 HIS QB 1 6 ALA MB 5.100 . 6.000 3.406 3.092 3.958 . 0 0 "[ . 1]" 1
171 1 3 HIS QB 1 9 ILE MD 5.100 . 6.000 5.955 5.857 6.021 0.021 10 0 "[ . 1]" 1
172 1 3 HIS QB 1 13 GLY HA3 6.000 . 6.000 5.635 5.478 6.121 0.121 7 0 "[ . 1]" 1
173 1 3 HIS QB 1 16 CYS HA 2.300 . 6.000 3.771 3.672 3.894 . 0 0 "[ . 1]" 1
174 1 3 HIS QB 1 15 THR HA 5.100 . 6.000 5.336 4.943 5.547 . 0 0 "[ . 1]" 1
175 1 3 HIS QB 1 24 TRP HZ2 5.100 . 6.000 5.588 5.572 5.596 . 0 0 "[ . 1]" 1
176 1 3 HIS HD2 1 5 ASP HB3 3.600 . 5.200 5.266 4.827 5.709 0.509 3 1 "[ + . 1]" 1
177 1 3 HIS HD2 1 9 ILE HG13 2.100 . 6.000 4.638 4.325 4.922 . 0 0 "[ . 1]" 1
178 1 3 HIS HD2 1 6 ALA HA 3.700 . 6.000 5.532 4.956 5.901 . 0 0 "[ . 1]" 1
179 1 3 HIS HD2 1 9 ILE HA 3.400 . 4.800 4.140 3.581 4.439 . 0 0 "[ . 1]" 1
180 1 3 HIS HD2 1 9 ILE MD 3.700 . 6.000 5.427 4.550 5.730 . 0 0 "[ . 1]" 1
181 1 3 HIS HD2 1 9 ILE MG 2.100 . 6.000 3.813 2.839 4.420 . 0 0 "[ . 1]" 1
182 1 3 HIS HD2 1 10 CYS HB2 2.100 . 6.000 5.313 4.735 5.624 . 0 0 "[ . 1]" 1
183 1 3 HIS HD2 1 13 GLY H 6.000 . 6.000 5.346 4.626 5.981 . 0 0 "[ . 1]" 1
184 1 3 HIS HE1 1 6 ALA HA 3.700 . 5.400 4.505 3.815 5.192 . 0 0 "[ . 1]" 1
185 1 3 HIS HE1 1 7 ALA MB 5.500 . 6.000 5.304 4.864 5.778 . 0 0 "[ . 1]" 1
186 1 3 HIS HE1 1 9 ILE MD 3.700 . 5.400 3.188 2.750 3.574 . 0 0 "[ . 1]" 1
187 1 3 HIS HE1 1 9 ILE HG12 3.700 . 5.400 2.776 2.147 3.717 . 0 0 "[ . 1]" 1
188 1 3 HIS HE1 1 9 ILE HG13 3.700 . 5.400 3.911 3.112 4.666 . 0 0 "[ . 1]" 1
189 1 3 HIS HE1 1 9 ILE MG 3.700 . 5.400 3.941 2.977 4.975 . 0 0 "[ . 1]" 1
190 1 5 ASP H 1 6 ALA HA 2.300 . 3.000 2.799 2.754 2.910 . 0 0 "[ . 1]" 1
191 1 5 ASP H 1 6 ALA HA 3.000 . 4.200 2.807 2.759 2.925 . 0 0 "[ . 1]" 1
192 1 5 ASP H 1 8 THR HA 6.000 . 6.000 3.906 3.759 4.442 . 0 0 "[ . 1]" 1
193 1 5 ASP H 1 9 ILE HA 2.800 . 3.800 3.068 2.891 3.463 . 0 0 "[ . 1]" 1
194 1 5 ASP H 1 10 CYS HB3 6.000 . 6.000 5.101 4.621 5.365 . 0 0 "[ . 1]" 1
195 1 5 ASP H 1 18 LEU HB2 6.000 . 6.000 4.163 4.059 4.213 . 0 0 "[ . 1]" 1
196 1 5 ASP H 1 18 LEU MD1 6.000 . 6.000 4.891 4.767 5.118 . 0 0 "[ . 1]" 1
197 1 5 ASP H 1 18 LEU MD2 2.800 . 3.800 3.677 3.599 3.802 0.002 6 0 "[ . 1]" 1
198 1 5 ASP H 1 24 TRP HH2 2.600 . 3.400 2.653 2.002 2.918 . 0 0 "[ . 1]" 1
199 1 5 ASP HA 1 6 ALA H 2.600 . 3.400 3.136 2.893 3.300 . 0 0 "[ . 1]" 1
200 1 5 ASP HA 1 6 ALA MB 2.800 . 3.800 3.769 3.726 3.818 0.018 6 0 "[ . 1]" 1
201 1 5 ASP HA 1 7 ALA H 3.000 . 6.000 4.238 4.162 4.325 . 0 0 "[ . 1]" 1
202 1 5 ASP HA 1 24 TRP HH2 2.600 . 3.400 2.934 2.913 2.940 . 0 0 "[ . 1]" 1
203 1 5 ASP HA 1 18 LEU MD1 5.100 . 6.000 3.724 3.710 3.738 . 0 0 "[ . 1]" 1
204 1 5 ASP HA 1 24 TRP HE3 3.200 . 4.500 3.942 3.801 4.050 . 0 0 "[ . 1]" 1
205 1 5 ASP HA 1 24 TRP HD1 3.700 . 5.400 4.307 4.182 4.370 . 0 0 "[ . 1]" 1
206 1 5 ASP HA 1 24 TRP HE3 2.000 . 6.000 3.962 3.817 4.072 . 0 0 "[ . 1]" 1
207 1 5 ASP HA 1 24 TRP HE3 3.800 . 5.600 3.875 3.740 3.981 . 0 0 "[ . 1]" 1
208 1 5 ASP HA 1 24 TRP HD1 6.000 . 6.000 4.408 4.276 4.499 . 0 0 "[ . 1]" 1
209 1 5 ASP HB2 1 6 ALA H 2.400 . 6.000 4.146 3.847 4.424 . 0 0 "[ . 1]" 1
210 1 5 ASP HB2 1 7 ALA H 3.500 . 5.000 3.896 3.299 4.214 . 0 0 "[ . 1]" 1
211 1 5 ASP HB2 1 7 ALA H 3.300 . 4.600 3.852 3.288 4.164 . 0 0 "[ . 1]" 1
212 1 5 ASP HB2 1 24 TRP HD1 2.300 . 2.900 2.522 2.511 2.542 . 0 0 "[ . 1]" 1
213 1 5 ASP HB2 1 24 TRP HE1 3.300 . 4.700 4.005 3.898 4.171 . 0 0 "[ . 1]" 1
214 1 5 ASP HB3 1 7 ALA H 3.700 . 5.400 3.273 2.460 4.280 . 0 0 "[ . 1]" 1
215 1 5 ASP HB3 1 6 ALA H 2.600 . 6.000 4.023 3.515 4.578 . 0 0 "[ . 1]" 1
216 1 5 ASP HB3 1 6 ALA H 2.500 . 6.000 3.945 3.478 4.422 . 0 0 "[ . 1]" 1
217 1 5 ASP HB3 1 6 ALA MB 5.100 . 6.000 4.683 4.325 5.427 . 0 0 "[ . 1]" 1
218 1 5 ASP HB3 1 7 ALA MB 5.100 . 6.000 3.045 2.461 4.365 . 0 0 "[ . 1]" 1
219 1 5 ASP HB3 1 7 ALA MB 5.100 . 6.000 3.043 2.461 4.357 . 0 0 "[ . 1]" 1
220 1 5 ASP HB3 1 18 LEU MD2 5.100 . 6.000 5.849 5.490 6.138 0.138 7 0 "[ . 1]" 1
221 1 5 ASP HB3 1 24 TRP HH2 3.600 . 5.200 4.384 4.028 4.619 . 0 0 "[ . 1]" 1
222 1 5 ASP HB3 1 24 TRP HD1 3.700 . 5.400 5.366 4.875 5.868 0.468 4 0 "[ . 1]" 1
223 1 5 ASP HB3 1 24 TRP HE1 3.400 . 4.900 4.866 4.217 5.293 0.393 7 0 "[ . 1]" 1
224 1 5 ASP HB3 1 24 TRP HE3 3.700 . 5.400 3.382 3.069 4.030 . 0 0 "[ . 1]" 1
225 1 5 ASP HB3 1 24 TRP HE3 2.300 . 6.000 3.313 3.040 3.749 . 0 0 "[ . 1]" 1
226 1 5 ASP HB3 1 24 TRP HZ2 5.100 . 6.000 5.161 4.407 5.759 . 0 0 "[ . 1]" 1
227 1 6 ALA H 1 6 ALA HA 2.700 . 3.600 2.274 2.272 2.277 . 0 0 "[ . 1]" 1
228 1 6 ALA H 1 6 ALA MB 2.300 . 2.900 2.849 2.812 2.896 . 0 0 "[ . 1]" 1
229 1 6 ALA H 1 6 ALA MB 2.300 . 2.900 2.819 2.784 2.860 . 0 0 "[ . 1]" 1
230 1 6 ALA H 1 7 ALA H 3.000 . 4.100 2.700 2.648 2.735 . 0 0 "[ . 1]" 1
231 1 6 ALA H 1 7 ALA H 3.100 . 4.300 2.666 2.618 2.696 . 0 0 "[ . 1]" 1
232 1 6 ALA HA 1 6 ALA MB 5.100 . 6.000 2.097 2.084 2.122 . 0 0 "[ . 1]" 1
233 1 6 ALA HA 1 7 ALA H 2.900 . 3.900 3.021 2.938 3.104 . 0 0 "[ . 1]" 1
234 1 6 ALA HA 1 7 ALA MB 5.100 . 6.000 4.633 4.566 4.737 . 0 0 "[ . 1]" 1
235 1 6 ALA HA 1 23 VAL MG1 5.900 . 6.000 5.928 5.871 5.969 . 0 0 "[ . 1]" 1
236 1 6 ALA MB 1 7 ALA H 2.000 . 2.500 2.445 2.334 2.526 0.026 7 0 "[ . 1]" 1
237 1 6 ALA MB 1 7 ALA H 2.500 . 6.000 3.505 3.457 3.553 . 0 0 "[ . 1]" 1
238 1 6 ALA MB 1 8 THR H 2.600 . 3.500 2.734 2.199 3.213 . 0 0 "[ . 1]" 1
239 1 7 ALA H 1 7 ALA HA 2.500 . 3.300 2.940 2.933 2.949 . 0 0 "[ . 1]" 1
240 1 7 ALA H 1 7 ALA MB 2.100 . 2.700 2.298 2.056 2.488 . 0 0 "[ . 1]" 1
241 1 7 ALA H 1 8 THR MG 3.000 . 4.100 3.507 2.184 3.951 . 0 0 "[ . 1]" 1
242 1 7 ALA H 1 9 ILE H 4.200 . 6.000 3.924 3.340 4.439 . 0 0 "[ . 1]" 1
243 1 7 ALA HA 1 7 ALA MB 5.100 . 6.000 2.101 2.083 2.128 . 0 0 "[ . 1]" 1
244 1 7 ALA HA 1 8 THR H 3.300 . 4.700 3.242 2.305 3.570 . 0 0 "[ . 1]" 1
245 1 7 ALA HA 1 9 ILE HG13 1.900 . 6.000 2.131 1.891 2.531 . 0 0 "[ . 1]" 1
246 1 7 ALA MB 1 8 THR HA 5.100 . 6.000 3.883 3.719 4.026 . 0 0 "[ . 1]" 1
247 1 7 ALA MB 1 24 TRP QB 5.100 . 6.000 4.860 4.239 5.402 . 0 0 "[ . 1]" 1
248 1 7 ALA MB 1 24 TRP QB 5.100 . 6.000 4.901 4.254 5.486 . 0 0 "[ . 1]" 1
249 1 7 ALA MB 1 24 TRP HD1 3.700 . 5.400 4.872 4.206 5.411 0.011 9 0 "[ . 1]" 1
250 1 8 THR H 1 8 THR HA 2.900 . 4.000 2.805 2.272 2.947 . 0 0 "[ . 1]" 1
251 1 8 THR H 1 8 THR HB 2.600 . 3.500 3.016 2.562 3.559 0.059 5 0 "[ . 1]" 1
252 1 8 THR H 1 8 THR MG 3.100 . 4.300 3.577 2.201 4.010 . 0 0 "[ . 1]" 1
253 1 8 THR H 1 9 ILE H 6.000 . 6.000 4.013 3.353 4.547 . 0 0 "[ . 1]" 1
254 1 8 THR HA 1 8 THR HB 2.400 . 3.100 2.905 2.496 3.026 . 0 0 "[ . 1]" 1
255 1 8 THR HA 1 8 THR MG 5.100 . 6.000 2.454 1.937 3.206 . 0 0 "[ . 1]" 1
256 1 8 THR HA 1 9 ILE H 2.000 . 2.500 2.231 2.141 2.366 . 0 0 "[ . 1]" 1
257 1 8 THR HA 1 9 ILE MG 5.100 . 6.000 5.486 5.417 5.556 . 0 0 "[ . 1]" 1
258 1 8 THR HB 1 23 VAL H 3.700 . 5.400 5.273 4.803 5.397 . 0 0 "[ . 1]" 1
259 1 8 THR HB 1 24 TRP HD1 3.100 . 4.300 3.724 3.089 4.232 . 0 0 "[ . 1]" 1
260 1 8 THR HB 1 24 TRP HH2 3.700 . 5.400 5.293 4.811 5.425 0.025 3 0 "[ . 1]" 1
261 1 8 THR HB 1 24 TRP QB 2.600 . 3.500 3.174 2.685 3.525 0.025 10 0 "[ . 1]" 1
262 1 8 THR HB 1 24 TRP HD1 2.400 . 6.000 5.224 4.680 5.916 . 0 0 "[ . 1]" 1
263 1 8 THR MG 1 17 SER H 6.000 . 6.000 4.261 3.980 4.472 . 0 0 "[ . 1]" 1
264 1 8 THR MG 1 24 TRP HA 2.600 . 6.000 3.898 3.709 4.170 . 0 0 "[ . 1]" 1
265 1 8 THR MG 1 25 TYR H 3.700 . 5.400 3.980 3.555 4.451 . 0 0 "[ . 1]" 1
266 1 8 THR MG 1 24 TRP H 6.000 . 6.000 4.671 4.466 5.321 . 0 0 "[ . 1]" 1
267 1 8 THR MG 1 24 TRP QB 5.100 . 6.000 2.684 2.332 2.937 . 0 0 "[ . 1]" 1
268 1 8 THR MG 1 24 TRP HD1 3.700 . 5.400 4.929 4.441 5.357 . 0 0 "[ . 1]" 1
269 1 9 ILE H 1 9 ILE HB 2.700 . 3.600 2.694 2.547 2.770 . 0 0 "[ . 1]" 1
270 1 9 ILE H 1 9 ILE QG 2.800 . 6.000 2.049 1.705 2.714 . 0 0 "[ . 1]" 1
271 1 9 ILE H 1 9 ILE MG 3.000 . 4.100 3.792 3.750 3.880 . 0 0 "[ . 1]" 1
272 1 9 ILE H 1 16 CYS HB3 2.600 . 6.000 3.479 3.108 3.609 . 0 0 "[ . 1]" 1
273 1 9 ILE HA 1 9 ILE MG 5.100 . 6.000 2.244 2.117 2.362 . 0 0 "[ . 1]" 1
274 1 9 ILE HB 1 9 ILE MD 5.100 . 6.000 2.272 2.005 2.471 . 0 0 "[ . 1]" 1
275 1 9 ILE HB 1 9 ILE MG 1.900 . 2.400 2.101 2.084 2.127 . 0 0 "[ . 1]" 1
276 1 9 ILE MD 1 9 ILE HG12 5.100 . 6.000 2.093 2.072 2.116 . 0 0 "[ . 1]" 1
277 1 9 ILE MD 1 9 ILE HG13 5.100 . 6.000 2.094 2.073 2.119 . 0 0 "[ . 1]" 1
278 1 9 ILE MD 1 9 ILE MG 5.100 . 6.000 2.247 1.965 2.934 . 0 0 "[ . 1]" 1
279 1 9 ILE HG12 1 9 ILE MG 5.100 . 6.000 2.232 2.123 2.358 . 0 0 "[ . 1]" 1
280 1 9 ILE MG 1 11 PRO HA 5.100 . 6.000 4.618 4.282 4.866 . 0 0 "[ . 1]" 1
281 1 10 CYS HA 1 12 ASP H 2.700 . 3.600 2.880 2.849 2.895 . 0 0 "[ . 1]" 1
282 1 10 CYS HA 1 10 CYS HB2 2.500 . 3.300 2.839 2.818 2.869 . 0 0 "[ . 1]" 1
283 1 10 CYS HA 1 10 CYS HB3 2.500 . 3.300 2.589 2.550 2.614 . 0 0 "[ . 1]" 1
284 1 10 CYS HA 1 11 PRO HD2 5.100 . 6.000 2.843 2.565 3.033 . 0 0 "[ . 1]" 1
285 1 10 CYS HA 1 11 PRO HD2 2.300 . 6.000 2.821 2.548 3.020 . 0 0 "[ . 1]" 1
286 1 10 CYS HA 1 11 PRO HD3 5.100 . 6.000 2.078 1.873 2.486 0.027 9 0 "[ . 1]" 1
287 1 10 CYS HA 1 15 THR H 6.000 . 6.000 3.952 3.466 4.438 . 0 0 "[ . 1]" 1
288 1 10 CYS HA 1 26 CYS HB3 5.100 . 6.000 2.282 2.259 2.365 . 0 0 "[ . 1]" 1
289 1 10 CYS HB2 1 25 TYR HA 2.500 . 6.000 3.970 3.840 4.072 . 0 0 "[ . 1]" 1
290 1 10 CYS HB2 1 24 TRP HH2 2.300 . 6.000 5.325 5.010 5.613 . 0 0 "[ . 1]" 1
291 1 10 CYS HB2 1 11 PRO HA 5.100 . 6.000 3.866 3.787 3.941 . 0 0 "[ . 1]" 1
292 1 10 CYS HB2 1 11 PRO HD2 5.100 . 6.000 2.296 2.266 2.315 . 0 0 "[ . 1]" 1
293 1 10 CYS HB2 1 11 PRO HD3 5.100 . 6.000 2.741 2.639 2.951 . 0 0 "[ . 1]" 1
294 1 10 CYS HB2 1 26 CYS HB2 5.100 . 6.000 3.676 3.411 3.904 . 0 0 "[ . 1]" 1
295 1 10 CYS HB2 1 26 CYS HB3 5.100 . 6.000 3.534 3.029 3.903 . 0 0 "[ . 1]" 1
296 1 10 CYS HB2 1 14 THR HB 5.100 . 6.000 2.739 2.625 2.844 . 0 0 "[ . 1]" 1
297 1 10 CYS HB3 1 14 THR HA 2.800 . 3.800 2.908 2.448 3.078 . 0 0 "[ . 1]" 1
298 1 10 CYS HB3 1 25 TYR QD 3.100 . 4.300 3.929 3.788 4.208 . 0 0 "[ . 1]" 1
299 1 10 CYS HB3 1 25 TYR QE 3.600 . 5.200 4.493 4.011 4.786 . 0 0 "[ . 1]" 1
300 1 10 CYS HB3 1 26 CYS HB2 5.900 . 6.000 3.797 3.653 3.942 . 0 0 "[ . 1]" 1
301 1 10 CYS HB3 1 26 CYS HB3 2.300 . 3.000 2.418 2.161 3.014 0.014 9 0 "[ . 1]" 1
302 1 11 PRO HA 1 11 PRO HD2 5.100 . 6.000 3.973 3.905 4.095 . 0 0 "[ . 1]" 1
303 1 11 PRO HA 1 12 ASP H 2.000 . 2.500 2.136 2.111 2.222 . 0 0 "[ . 1]" 1
304 1 11 PRO HA 1 12 ASP HB3 1.900 . 6.000 2.584 2.239 2.990 . 0 0 "[ . 1]" 1
305 1 11 PRO HA 1 13 GLY H 3.000 . 4.100 2.691 2.139 3.272 . 0 0 "[ . 1]" 1
306 1 11 PRO HA 1 14 THR H 3.400 . 4.900 3.486 3.361 3.582 . 0 0 "[ . 1]" 1
307 1 11 PRO HB2 1 11 PRO HD2 5.100 . 6.000 3.253 2.915 4.005 . 0 0 "[ . 1]" 1
308 1 11 PRO HB2 1 11 PRO HD2 5.100 . 6.000 3.263 2.921 4.029 . 0 0 "[ . 1]" 1
309 1 11 PRO HB2 1 11 PRO HD3 5.100 . 6.000 3.902 3.863 3.969 . 0 0 "[ . 1]" 1
310 1 11 PRO HB2 1 12 ASP H 2.800 . 3.800 3.536 3.154 3.897 0.097 9 0 "[ . 1]" 1
311 1 11 PRO HB2 1 14 THR HA 5.100 . 6.000 4.728 4.323 5.057 . 0 0 "[ . 1]" 1
312 1 11 PRO HB2 1 14 THR HB 5.100 . 6.000 3.392 2.909 3.948 . 0 0 "[ . 1]" 1
313 1 11 PRO HB2 1 14 THR MG 2.400 . 3.100 2.879 2.131 3.545 0.445 2 0 "[ . 1]" 1
314 1 11 PRO HB2 1 25 TYR HA 5.100 . 6.000 5.228 4.967 5.460 . 0 0 "[ . 1]" 1
315 1 11 PRO HB2 1 28 PRO HD3 5.100 . 6.000 3.900 3.862 3.931 . 0 0 "[ . 1]" 1
316 1 11 PRO HB3 1 25 TYR HB2 5.100 . 6.000 4.228 4.028 4.443 . 0 0 "[ . 1]" 1
317 1 11 PRO HB3 1 12 ASP H 2.500 . 6.000 3.300 3.070 3.602 . 0 0 "[ . 1]" 1
318 1 11 PRO HB3 1 12 ASP H 2.600 . 6.000 3.487 3.172 4.128 . 0 0 "[ . 1]" 1
319 1 11 PRO HB3 1 14 THR HA 2.600 . 6.000 3.917 3.804 4.101 . 0 0 "[ . 1]" 1
320 1 11 PRO HB3 1 14 THR HB 5.100 . 6.000 2.309 2.289 2.324 . 0 0 "[ . 1]" 1
321 1 11 PRO HB3 1 26 CYS HB3 5.100 . 6.000 4.892 3.930 5.379 . 0 0 "[ . 1]" 1
322 1 11 PRO HB3 1 26 CYS HB3 5.900 . 6.000 4.834 3.914 5.306 . 0 0 "[ . 1]" 1
323 1 11 PRO HB3 1 29 PHE H 2.900 . 6.000 4.929 4.369 5.515 . 0 0 "[ . 1]" 1
324 1 11 PRO HB3 1 29 PHE H 2.700 . 3.600 3.398 2.960 3.636 0.036 3 0 "[ . 1]" 1
325 1 11 PRO HD2 1 11 PRO HG2 5.100 . 6.000 2.310 2.284 2.324 . 0 0 "[ . 1]" 1
326 1 11 PRO HD2 1 12 ASP H 6.000 . 6.000 4.447 3.234 4.678 . 0 0 "[ . 1]" 1
327 1 11 PRO HD2 1 13 GLY H 6.000 . 6.000 5.583 5.188 6.008 0.008 9 0 "[ . 1]" 1
328 1 11 PRO HD2 1 14 THR MG 2.100 . 6.000 3.077 2.339 3.736 . 0 0 "[ . 1]" 1
329 1 11 PRO HD2 1 15 THR H 3.200 . 4.500 3.842 3.529 4.307 . 0 0 "[ . 1]" 1
330 1 11 PRO HD2 1 25 TYR QD 6.000 . 6.000 4.646 4.238 5.048 . 0 0 "[ . 1]" 1
331 1 11 PRO HD2 1 26 CYS HB2 2.400 . 3.100 2.798 2.560 2.950 . 0 0 "[ . 1]" 1
332 1 11 PRO HD2 1 26 CYS HB3 2.300 . 3.000 2.496 2.059 2.959 . 0 0 "[ . 1]" 1
333 1 11 PRO HD2 1 27 SER H 2.400 . 3.100 2.797 2.229 3.642 0.542 9 1 "[ . +1]" 1
334 1 11 PRO HD3 1 25 TYR QD 3.500 . 5.000 3.340 2.943 4.225 . 0 0 "[ . 1]" 1
335 1 11 PRO HD3 1 26 CYS HB2 2.800 . 3.800 3.699 2.689 3.846 0.046 10 0 "[ . 1]" 1
336 1 11 PRO HD3 1 26 CYS HB3 2.500 . 6.000 3.784 3.475 4.041 . 0 0 "[ . 1]" 1
337 1 11 PRO HG2 1 25 TYR HA 5.100 . 6.000 3.999 3.867 4.103 . 0 0 "[ . 1]" 1
338 1 11 PRO HG2 1 12 ASP H 3.600 . 5.200 4.887 4.521 5.154 . 0 0 "[ . 1]" 1
339 1 11 PRO HG2 1 14 THR HA 2.700 . 6.000 3.938 3.600 4.293 . 0 0 "[ . 1]" 1
340 1 11 PRO HG2 1 14 THR MG 5.100 . 6.000 2.142 1.877 2.532 0.023 8 0 "[ . 1]" 1
341 1 11 PRO HG2 1 29 PHE QD 6.000 . 6.000 5.384 5.041 5.710 . 0 0 "[ . 1]" 1
342 1 11 PRO HG3 1 25 TYR QE 3.400 . 4.800 4.325 4.011 4.614 . 0 0 "[ . 1]" 1
343 1 12 ASP H 1 12 ASP HB2 2.300 . 6.000 3.051 2.271 3.569 . 0 0 "[ . 1]" 1
344 1 12 ASP H 1 12 ASP HB2 2.400 . 6.000 3.047 2.271 3.561 . 0 0 "[ . 1]" 1
345 1 12 ASP H 1 12 ASP HB3 2.600 . 3.400 2.978 2.278 4.123 0.723 9 1 "[ . +1]" 1
346 1 12 ASP H 1 13 GLY H 6.000 . 6.000 3.496 2.659 4.388 . 0 0 "[ . 1]" 1
347 1 12 ASP HA 1 12 ASP HB2 2.000 . 2.500 2.661 2.323 3.018 0.518 8 1 "[ . + 1]" 1
348 1 12 ASP HB2 1 13 GLY H 3.000 . 4.200 4.065 3.307 4.508 0.308 8 0 "[ . 1]" 1
349 1 12 ASP HB3 1 13 GLY H 2.700 . 6.000 3.819 3.037 4.508 . 0 0 "[ . 1]" 1
350 1 13 GLY H 1 13 GLY HA2 2.400 . 3.100 2.717 2.316 2.944 . 0 0 "[ . 1]" 1
351 1 13 GLY H 1 13 GLY HA3 2.400 . 3.100 2.642 2.330 2.952 . 0 0 "[ . 1]" 1
352 1 13 GLY H 1 14 THR H 2.600 . 3.400 2.385 1.810 2.920 . 0 0 "[ . 1]" 1
353 1 13 GLY HA2 1 14 THR H 3.100 . 4.300 3.142 2.988 3.380 . 0 0 "[ . 1]" 1
354 1 13 GLY HA2 1 14 THR MG 5.100 . 6.000 4.505 4.208 4.820 . 0 0 "[ . 1]" 1
355 1 13 GLY HA2 1 29 PHE QD 6.000 . 6.000 5.339 4.856 5.518 . 0 0 "[ . 1]" 1
356 1 13 GLY HA2 1 29 PHE QE 3.700 . 5.400 3.852 3.108 4.640 . 0 0 "[ . 1]" 1
357 1 13 GLY HA3 1 14 THR MG 3.100 . 4.300 3.748 3.445 4.033 . 0 0 "[ . 1]" 1
358 1 13 GLY HA3 1 29 PHE QD 2.100 . 2.700 2.397 2.259 2.523 . 0 0 "[ . 1]" 1
359 1 13 GLY HA3 1 29 PHE HB3 5.100 . 6.000 4.689 4.589 4.894 . 0 0 "[ . 1]" 1
360 1 13 GLY HA3 1 29 PHE QD 3.400 . 4.900 2.937 2.914 2.942 . 0 0 "[ . 1]" 1
361 1 13 GLY HA3 1 29 PHE QD 3.700 . 5.400 3.661 3.138 4.871 . 0 0 "[ . 1]" 1
362 1 13 GLY HA3 1 29 PHE QE 6.000 . 6.000 4.990 4.342 5.792 . 0 0 "[ . 1]" 1
363 1 13 GLY HA3 1 29 PHE QE 3.700 . 5.400 4.487 4.179 5.178 . 0 0 "[ . 1]" 1
364 1 14 THR H 1 14 THR HA 3.000 . 4.100 2.935 2.916 2.948 . 0 0 "[ . 1]" 1
365 1 14 THR H 1 14 THR MG 1.900 . 6.000 3.109 2.864 3.457 . 0 0 "[ . 1]" 1
366 1 14 THR H 1 29 PHE QE 6.000 . 6.000 4.025 3.538 4.360 . 0 0 "[ . 1]" 1
367 1 14 THR HA 1 14 THR HB 2.600 . 3.400 2.516 2.457 2.637 . 0 0 "[ . 1]" 1
368 1 14 THR HA 1 14 THR MG 2.800 . 3.800 2.257 2.111 2.430 . 0 0 "[ . 1]" 1
369 1 14 THR HA 1 15 THR H 2.200 . 2.800 2.430 2.291 2.556 . 0 0 "[ . 1]" 1
370 1 14 THR HA 1 15 THR MG 5.100 . 6.000 3.833 3.758 3.909 . 0 0 "[ . 1]" 1
371 1 14 THR HA 1 28 PRO HG2 5.100 . 6.000 3.900 3.796 4.107 . 0 0 "[ . 1]" 1
372 1 14 THR HA 1 28 PRO HA 2.700 . 3.600 2.314 1.876 2.599 . 0 0 "[ . 1]" 1
373 1 14 THR HA 1 29 PHE H 2.800 . 3.800 3.274 2.943 3.765 . 0 0 "[ . 1]" 1
374 1 14 THR HA 1 29 PHE QD 6.000 . 6.000 3.518 2.801 4.133 . 0 0 "[ . 1]" 1
375 1 14 THR HB 1 14 THR MG 5.100 . 6.000 2.120 2.098 2.134 . 0 0 "[ . 1]" 1
376 1 14 THR HB 1 14 THR MG 5.100 . 6.000 2.111 2.092 2.126 . 0 0 "[ . 1]" 1
377 1 14 THR HB 1 15 THR H 2.200 . 2.800 2.337 2.042 2.706 . 0 0 "[ . 1]" 1
378 1 14 THR HB 1 15 THR MG 5.100 . 6.000 3.261 2.387 3.687 . 0 0 "[ . 1]" 1
379 1 14 THR HB 1 17 SER HB3 5.100 . 6.000 3.608 2.930 4.384 . 0 0 "[ . 1]" 1
380 1 14 THR HB 1 25 TYR QD 3.700 . 5.400 3.344 2.944 4.254 . 0 0 "[ . 1]" 1
381 1 14 THR HB 1 25 TYR QE 3.000 . 4.100 2.550 2.117 3.667 . 0 0 "[ . 1]" 1
382 1 14 THR HB 1 26 CYS HB2 2.300 . 6.000 3.112 2.906 3.497 . 0 0 "[ . 1]" 1
383 1 14 THR HB 1 26 CYS HB2 5.100 . 6.000 3.092 2.895 3.458 . 0 0 "[ . 1]" 1
384 1 14 THR HB 1 26 CYS HB3 2.200 . 2.800 2.337 2.053 2.707 . 0 0 "[ . 1]" 1
385 1 14 THR HB 1 27 SER H 2.300 . 2.900 2.475 2.219 2.844 . 0 0 "[ . 1]" 1
386 1 14 THR HB 1 27 SER HA 1.900 . 2.400 2.153 1.922 2.419 0.019 9 0 "[ . 1]" 1
387 1 14 THR HB 1 28 PRO HA 5.100 . 6.000 3.416 3.300 3.595 . 0 0 "[ . 1]" 1
388 1 14 THR HB 1 29 PHE H 3.100 . 4.300 4.073 3.686 4.481 0.181 4 0 "[ . 1]" 1
389 1 14 THR HB 1 29 PHE H 3.500 . 5.000 3.145 2.729 3.528 . 0 0 "[ . 1]" 1
390 1 14 THR HB 1 29 PHE QD 2.100 . 6.000 3.300 2.008 4.452 . 0 0 "[ . 1]" 1
391 1 14 THR HB 1 29 PHE QE 3.700 . 5.400 4.016 2.929 5.127 . 0 0 "[ . 1]" 1
392 1 14 THR MG 1 15 THR H 2.800 . 3.800 3.527 3.249 3.672 . 0 0 "[ . 1]" 1
393 1 14 THR MG 1 17 SER HB3 5.900 . 6.000 4.768 4.605 4.890 . 0 0 "[ . 1]" 1
394 1 14 THR MG 1 27 SER H 3.000 . 4.200 3.687 3.565 3.896 . 0 0 "[ . 1]" 1
395 1 14 THR MG 1 28 PRO HD3 3.500 . 5.000 2.793 2.501 3.092 . 0 0 "[ . 1]" 1
396 1 14 THR MG 1 25 TYR QD 3.300 . 4.700 3.228 3.108 3.449 . 0 0 "[ . 1]" 1
397 1 14 THR MG 1 29 PHE QD 2.300 . 3.000 2.655 2.392 2.819 . 0 0 "[ . 1]" 1
398 1 14 THR MG 1 25 TYR HA 3.200 . 4.400 3.677 3.351 3.959 . 0 0 "[ . 1]" 1
399 1 14 THR MG 1 26 CYS HB2 2.200 . 2.800 2.773 2.631 2.832 0.032 9 0 "[ . 1]" 1
400 1 14 THR MG 1 26 CYS HB3 5.100 . 6.000 3.061 2.843 3.361 . 0 0 "[ . 1]" 1
401 1 14 THR MG 1 27 SER H 6.000 . 6.000 3.900 3.742 4.213 . 0 0 "[ . 1]" 1
402 1 14 THR MG 1 28 PRO HA 5.100 . 6.000 2.133 1.892 2.536 0.008 2 0 "[ . 1]" 1
403 1 14 THR MG 1 28 PRO HD3 5.100 . 6.000 2.858 2.528 3.228 . 0 0 "[ . 1]" 1
404 1 14 THR MG 1 28 PRO HG2 5.100 . 6.000 4.061 3.433 4.658 . 0 0 "[ . 1]" 1
405 1 14 THR MG 1 29 PHE H 3.300 . 4.600 3.877 3.466 4.258 . 0 0 "[ . 1]" 1
406 1 15 THR H 1 15 THR HA 2.600 . 3.400 2.850 2.816 2.873 . 0 0 "[ . 1]" 1
407 1 15 THR H 1 15 THR HB 3.100 . 4.300 3.115 2.937 3.260 . 0 0 "[ . 1]" 1
408 1 15 THR H 1 15 THR MG 2.700 . 3.600 2.084 1.848 2.321 . 0 0 "[ . 1]" 1
409 1 15 THR H 1 16 CYS H 6.000 . 6.000 4.492 4.448 4.546 . 0 0 "[ . 1]" 1
410 1 15 THR H 1 24 TRP HB3 3.700 . 5.400 4.165 3.571 4.552 . 0 0 "[ . 1]" 1
411 1 15 THR H 1 27 SER H 2.900 . 3.900 2.611 2.130 3.189 . 0 0 "[ . 1]" 1
412 1 15 THR H 1 29 PHE H 6.000 . 6.000 4.645 4.180 5.034 . 0 0 "[ . 1]" 1
413 1 15 THR H 1 29 PHE QD 6.000 . 6.000 3.321 2.510 4.021 . 0 0 "[ . 1]" 1
414 1 15 THR HA 1 15 THR MG 5.100 . 6.000 3.195 3.187 3.204 . 0 0 "[ . 1]" 1
415 1 15 THR HA 1 16 CYS H 2.700 . 3.600 2.333 2.239 2.410 . 0 0 "[ . 1]" 1
416 1 15 THR HA 1 29 PHE QD 2.500 . 6.000 3.274 3.114 3.393 . 0 0 "[ . 1]" 1
417 1 15 THR HA 1 29 PHE QD 3.300 . 4.600 3.679 3.334 3.983 . 0 0 "[ . 1]" 1
418 1 15 THR HA 1 29 PHE QD 5.500 . 6.000 4.394 4.084 4.762 . 0 0 "[ . 1]" 1
419 1 15 THR HA 1 29 PHE QE 3.700 . 5.400 3.204 2.835 3.686 . 0 0 "[ . 1]" 1
420 1 15 THR HB 1 15 THR MG 5.100 . 6.000 2.097 2.089 2.113 . 0 0 "[ . 1]" 1
421 1 15 THR HB 1 29 PHE QD 3.300 . 4.600 2.456 2.062 2.784 . 0 0 "[ . 1]" 1
422 1 15 THR HB 1 29 PHE QD 2.200 . 2.800 2.502 2.067 2.801 0.001 3 0 "[ . 1]" 1
423 1 15 THR HB 1 29 PHE QE 2.000 . 2.500 2.343 1.907 2.513 0.013 8 0 "[ . 1]" 1
424 1 15 THR MG 1 16 CYS H 2.900 . 3.900 3.602 3.444 3.816 . 0 0 "[ . 1]" 1
425 1 15 THR MG 1 16 CYS HB3 2.500 . 3.300 3.051 2.845 3.291 . 0 0 "[ . 1]" 1
426 1 15 THR MG 1 16 CYS HB3 5.100 . 6.000 4.422 4.214 4.663 . 0 0 "[ . 1]" 1
427 1 15 THR MG 1 27 SER H 6.000 . 6.000 2.804 2.535 2.988 . 0 0 "[ . 1]" 1
428 1 15 THR MG 1 27 SER HB2 5.900 . 6.000 3.561 2.405 4.299 . 0 0 "[ . 1]" 1
429 1 15 THR MG 1 27 SER HB3 3.500 . 5.000 2.608 2.207 3.318 . 0 0 "[ . 1]" 1
430 1 15 THR MG 1 28 PRO HA 5.100 . 6.000 4.407 4.124 4.579 . 0 0 "[ . 1]" 1
431 1 15 THR MG 1 29 PHE HA 3.500 . 5.000 4.644 4.299 4.997 . 0 0 "[ . 1]" 1
432 1 15 THR MG 1 29 PHE QD 3.700 . 5.400 2.129 2.005 2.213 . 0 0 "[ . 1]" 1
433 1 15 THR MG 1 29 PHE QE 3.300 . 4.700 3.471 3.274 3.680 . 0 0 "[ . 1]" 1
434 1 16 CYS H 1 16 CYS HB2 2.800 . 3.800 3.029 2.728 3.471 . 0 0 "[ . 1]" 1
435 1 16 CYS HA 1 17 SER H 2.000 . 2.500 2.094 2.080 2.104 . 0 0 "[ . 1]" 1
436 1 16 CYS HA 1 18 LEU QB 5.900 . 6.000 4.054 4.027 4.082 . 0 0 "[ . 1]" 1
437 1 16 CYS HA 1 27 SER H 3.400 . 4.900 4.077 3.877 4.271 . 0 0 "[ . 1]" 1
438 1 16 CYS HB2 1 17 SER H 3.100 . 4.300 3.983 3.542 4.200 . 0 0 "[ . 1]" 1
439 1 16 CYS HB2 1 24 TRP HZ3 2.200 . 2.800 2.534 1.979 2.716 . 0 0 "[ . 1]" 1
440 1 16 CYS HB3 1 24 TRP HE3 2.700 . 3.600 2.850 2.412 3.606 0.006 6 0 "[ . 1]" 1
441 1 16 CYS HB3 1 17 SER H 2.700 . 3.600 3.509 3.327 3.641 0.041 6 0 "[ . 1]" 1
442 1 16 CYS HB3 1 17 SER H 3.300 . 4.700 3.645 3.448 3.825 . 0 0 "[ . 1]" 1
443 1 16 CYS HB3 1 24 TRP HZ3 2.800 . 3.800 3.257 2.273 3.720 . 0 0 "[ . 1]" 1
444 1 16 CYS HB3 1 24 TRP HE3 2.100 . 2.700 2.462 2.273 2.656 . 0 0 "[ . 1]" 1
445 1 16 CYS HB3 1 25 TYR H 2.500 . 3.300 2.823 2.786 2.863 . 0 0 "[ . 1]" 1
446 1 16 CYS HB3 1 25 TYR QE 3.100 . 4.300 3.898 3.894 3.902 . 0 0 "[ . 1]" 1
447 1 16 CYS HB3 1 24 TRP HE3 3.700 . 5.400 2.859 2.415 3.637 . 0 0 "[ . 1]" 1
448 1 16 CYS HB3 1 24 TRP HH2 2.200 . 2.800 2.126 2.121 2.145 . 0 0 "[ . 1]" 1
449 1 16 CYS HB3 1 24 TRP HH2 2.700 . 3.600 2.486 2.360 2.659 . 0 0 "[ . 1]" 1
450 1 16 CYS HB3 1 24 TRP HZ3 2.600 . 6.000 3.264 2.274 3.732 . 0 0 "[ . 1]" 1
451 1 16 CYS HB3 1 25 TYR QE 3.300 . 4.700 3.925 3.922 3.928 . 0 0 "[ . 1]" 1
452 1 16 CYS HB3 1 29 PHE QE 3.700 . 5.400 4.416 4.381 4.455 . 0 0 "[ . 1]" 1
453 1 17 SER H 1 17 SER HB2 2.900 . 4.000 2.816 2.481 3.241 . 0 0 "[ . 1]" 1
454 1 17 SER H 1 17 SER HB3 2.800 . 3.800 3.382 2.916 3.836 0.036 7 0 "[ . 1]" 1
455 1 17 SER H 1 18 LEU H 6.000 . 6.000 4.397 4.340 4.450 . 0 0 "[ . 1]" 1
456 1 17 SER H 1 24 TRP HA 2.900 . 3.900 3.337 3.156 3.441 . 0 0 "[ . 1]" 1
457 1 17 SER H 1 24 TRP QB 3.700 . 5.400 4.387 4.193 4.564 . 0 0 "[ . 1]" 1
458 1 17 SER H 1 24 TRP QB 6.000 . 6.000 4.831 4.517 5.120 . 0 0 "[ . 1]" 1
459 1 17 SER H 1 24 TRP HE3 2.700 . 3.600 3.405 2.890 3.612 0.012 1 0 "[ . 1]" 1
460 1 17 SER H 1 24 TRP HZ3 6.000 . 6.000 4.341 3.849 4.745 . 0 0 "[ . 1]" 1
461 1 17 SER H 1 25 TYR H 2.700 . 3.600 3.225 3.029 3.496 . 0 0 "[ . 1]" 1
462 1 17 SER H 1 25 TYR QD 6.000 . 6.000 4.470 4.306 4.557 . 0 0 "[ . 1]" 1
463 1 17 SER H 1 25 TYR QE 6.000 . 6.000 4.908 4.723 5.011 . 0 0 "[ . 1]" 1
464 1 17 SER H 1 26 CYS H 6.000 . 6.000 5.066 4.944 5.138 . 0 0 "[ . 1]" 1
465 1 17 SER HB2 1 25 TYR QD 3.700 . 5.400 4.022 3.516 4.657 . 0 0 "[ . 1]" 1
466 1 17 SER HB2 1 25 TYR QE 3.600 . 5.200 3.315 2.736 3.916 . 0 0 "[ . 1]" 1
467 1 17 SER HB3 1 20 PRO HG3 5.100 . 6.000 4.858 4.766 4.999 . 0 0 "[ . 1]" 1
468 1 17 SER HB3 1 21 TYR QE 3.600 . 5.200 4.318 4.224 4.360 . 0 0 "[ . 1]" 1
469 1 17 SER HB3 1 24 TRP QB 5.100 . 6.000 5.031 4.480 5.652 . 0 0 "[ . 1]" 1
470 1 17 SER HB3 1 18 LEU H 3.400 . 4.800 3.472 3.064 3.856 . 0 0 "[ . 1]" 1
471 1 17 SER HB3 1 18 LEU HA 2.800 . 3.800 3.829 3.685 4.013 0.213 9 0 "[ . 1]" 1
472 1 17 SER HB3 1 18 LEU QB 5.900 . 6.000 3.485 3.328 3.614 . 0 0 "[ . 1]" 1
473 1 17 SER HB3 1 18 LEU HB3 2.700 . 3.600 3.504 3.347 3.619 0.019 1 0 "[ . 1]" 1
474 1 17 SER HB3 1 18 LEU HB3 5.100 . 6.000 3.585 3.401 3.722 . 0 0 "[ . 1]" 1
475 1 17 SER HB3 1 18 LEU HG 2.300 . 6.000 4.809 4.636 4.927 . 0 0 "[ . 1]" 1
476 1 17 SER HB3 1 20 PRO HA 5.100 . 6.000 5.240 5.197 5.308 . 0 0 "[ . 1]" 1
477 1 17 SER HB3 1 25 TYR QD 2.300 . 3.000 2.557 2.487 2.668 . 0 0 "[ . 1]" 1
478 1 17 SER HB3 1 21 TYR QE 3.600 . 5.200 4.440 4.424 4.463 . 0 0 "[ . 1]" 1
479 1 17 SER HB3 1 24 TRP HE3 6.000 . 6.000 5.679 5.490 5.992 . 0 0 "[ . 1]" 1
480 1 17 SER HB3 1 25 TYR QD 3.700 . 5.400 4.132 3.391 5.004 . 0 0 "[ . 1]" 1
481 1 17 SER HB3 1 25 TYR QE 3.300 . 4.600 3.231 2.698 3.908 . 0 0 "[ . 1]" 1
482 1 17 SER HB3 1 25 TYR QE 3.700 . 5.400 3.241 2.699 3.936 . 0 0 "[ . 1]" 1
483 1 17 SER HB3 1 27 SER HB3 6.000 . 6.000 4.230 3.416 5.231 . 0 0 "[ . 1]" 1
484 1 18 LEU H 1 18 LEU QB 2.500 . 3.300 2.179 2.134 2.220 . 0 0 "[ . 1]" 1
485 1 18 LEU H 1 18 LEU MD2 3.600 . 5.200 4.137 4.099 4.183 . 0 0 "[ . 1]" 1
486 1 18 LEU H 1 24 TRP HE3 6.000 . 6.000 4.681 4.461 4.937 . 0 0 "[ . 1]" 1
487 1 18 LEU H 1 24 TRP HZ3 6.000 . 6.000 4.194 3.772 4.554 . 0 0 "[ . 1]" 1
488 1 18 LEU HA 1 23 VAL H 6.000 . 6.000 2.630 2.388 3.019 . 0 0 "[ . 1]" 1
489 1 18 LEU HA 1 18 LEU HB2 2.500 . 3.300 2.936 2.922 2.948 . 0 0 "[ . 1]" 1
490 1 18 LEU HA 1 18 LEU MD2 2.200 . 2.800 2.043 1.909 2.130 . 0 0 "[ . 1]" 1
491 1 18 LEU HA 1 19 SER H 2.100 . 2.700 1.938 1.881 2.051 . 0 0 "[ . 1]" 1
492 1 18 LEU HA 1 23 VAL HB 5.900 . 6.000 1.966 1.620 2.333 . 0 0 "[ . 1]" 1
493 1 18 LEU HA 1 21 TYR H 3.200 . 4.500 2.742 2.179 3.370 . 0 0 "[ . 1]" 1
494 1 18 LEU HA 1 25 TYR QD 2.400 . 3.100 2.316 2.227 2.395 . 0 0 "[ . 1]" 1
495 1 18 LEU HA 1 24 TRP HA 5.100 . 6.000 2.788 2.601 2.959 . 0 0 "[ . 1]" 1
496 1 18 LEU HA 1 25 TYR QE 2.700 . 3.600 2.496 2.339 2.610 . 0 0 "[ . 1]" 1
497 1 18 LEU HA 1 23 VAL HB 5.100 . 6.000 2.996 2.982 3.004 . 0 0 "[ . 1]" 1
498 1 18 LEU HA 1 24 TRP HA 5.100 . 6.000 2.803 2.613 2.977 . 0 0 "[ . 1]" 1
499 1 18 LEU QB 1 19 SER H 3.400 . 4.800 3.196 2.837 3.377 . 0 0 "[ . 1]" 1
500 1 18 LEU QB 1 23 VAL H 3.400 . 4.900 3.845 3.712 4.016 . 0 0 "[ . 1]" 1
501 1 18 LEU QB 1 24 TRP HE3 6.000 . 6.000 4.465 4.369 4.552 . 0 0 "[ . 1]" 1
502 1 18 LEU QB 1 24 TRP HZ3 5.900 . 6.000 4.351 4.162 4.559 . 0 0 "[ . 1]" 1
503 1 18 LEU HB2 1 18 LEU MD1 5.100 . 6.000 2.275 2.210 2.369 . 0 0 "[ . 1]" 1
504 1 18 LEU HB2 1 18 LEU MD2 5.100 . 6.000 3.194 3.185 3.202 . 0 0 "[ . 1]" 1
505 1 18 LEU HB2 1 23 VAL H 3.700 . 5.400 4.498 4.323 4.683 . 0 0 "[ . 1]" 1
506 1 18 LEU HB2 1 24 TRP HE3 3.700 . 5.400 5.194 4.987 5.351 . 0 0 "[ . 1]" 1
507 1 18 LEU HB2 1 24 TRP HZ3 5.100 . 6.000 4.492 4.278 4.723 . 0 0 "[ . 1]" 1
508 1 18 LEU HB3 1 23 VAL H 2.300 . 6.000 4.145 3.995 4.424 . 0 0 "[ . 1]" 1
509 1 18 LEU HB3 1 18 LEU MD1 5.100 . 6.000 2.391 2.293 2.432 . 0 0 "[ . 1]" 1
510 1 18 LEU HB3 1 18 LEU MD2 2.100 . 2.600 2.328 2.292 2.365 . 0 0 "[ . 1]" 1
511 1 18 LEU HB3 1 19 SER QB 5.100 . 6.000 4.405 4.212 4.775 . 0 0 "[ . 1]" 1
512 1 18 LEU HB3 1 20 PRO HA 5.100 . 6.000 2.929 2.792 2.970 . 0 0 "[ . 1]" 1
513 1 18 LEU HB3 1 23 VAL HB 5.100 . 6.000 2.930 2.693 2.991 . 0 0 "[ . 1]" 1
514 1 18 LEU HB3 1 20 PRO HD3 5.100 . 6.000 3.836 3.824 3.859 . 0 0 "[ . 1]" 1
515 1 18 LEU HB3 1 21 TYR H 3.000 . 4.100 3.357 3.201 3.570 . 0 0 "[ . 1]" 1
516 1 18 LEU HB3 1 22 GLY HA3 5.100 . 6.000 5.264 5.082 5.390 . 0 0 "[ . 1]" 1
517 1 18 LEU HB3 1 24 TRP HA 5.100 . 6.000 5.318 5.106 5.549 . 0 0 "[ . 1]" 1
518 1 18 LEU HB3 1 24 TRP HE3 2.200 . 6.000 5.968 5.822 6.012 0.012 9 0 "[ . 1]" 1
519 1 18 LEU HB3 1 24 TRP HZ3 2.900 . 6.000 5.828 5.700 6.008 0.008 6 0 "[ . 1]" 1
520 1 18 LEU MD1 1 18 LEU MD2 5.100 . 6.000 2.034 1.903 2.081 . 0 0 "[ . 1]" 1
521 1 18 LEU MD1 1 18 LEU HG 5.100 . 6.000 2.105 2.082 2.126 . 0 0 "[ . 1]" 1
522 1 18 LEU MD1 1 19 SER H 3.400 . 6.000 4.677 4.402 4.876 . 0 0 "[ . 1]" 1
523 1 18 LEU MD1 1 22 GLY HA2 2.500 . 3.300 3.283 3.169 3.319 0.019 9 0 "[ . 1]" 1
524 1 18 LEU MD1 1 22 GLY HA3 5.100 . 6.000 4.438 4.351 4.543 . 0 0 "[ . 1]" 1
525 1 18 LEU MD1 1 23 VAL H 2.800 . 3.800 3.042 2.687 3.324 . 0 0 "[ . 1]" 1
526 1 18 LEU MD1 1 24 TRP H 6.000 . 6.000 5.779 5.403 6.008 0.008 7 0 "[ . 1]" 1
527 1 18 LEU MD1 1 24 TRP HA 2.600 . 6.000 5.008 4.717 5.211 . 0 0 "[ . 1]" 1
528 1 18 LEU MD1 1 24 TRP HA 5.100 . 6.000 4.991 4.701 5.191 . 0 0 "[ . 1]" 1
529 1 18 LEU MD1 1 24 TRP HD1 3.700 . 6.000 5.196 4.931 5.525 . 0 0 "[ . 1]" 1
530 1 18 LEU MD1 1 24 TRP HE1 6.000 . 6.000 3.793 3.584 4.147 . 0 0 "[ . 1]" 1
531 1 18 LEU MD1 1 24 TRP HE3 6.000 . 6.000 4.806 4.667 5.095 . 0 0 "[ . 1]" 1
532 1 18 LEU MD1 1 24 TRP HE3 2.900 . 4.000 2.602 2.522 2.689 . 0 0 "[ . 1]" 1
533 1 18 LEU MD1 1 24 TRP HZ2 2.300 . 3.000 2.613 2.532 2.699 . 0 0 "[ . 1]" 1
534 1 18 LEU MD1 1 24 TRP HZ3 5.100 . 6.000 4.149 3.827 4.456 . 0 0 "[ . 1]" 1
535 1 18 LEU MD2 1 18 LEU HG 5.100 . 6.000 2.106 2.088 2.128 . 0 0 "[ . 1]" 1
536 1 18 LEU MD2 1 19 SER H 2.700 . 3.600 2.580 2.215 2.817 . 0 0 "[ . 1]" 1
537 1 18 LEU MD2 1 19 SER HA 5.100 . 6.000 4.855 4.743 4.999 . 0 0 "[ . 1]" 1
538 1 18 LEU MD2 1 19 SER QB 5.100 . 6.000 4.080 3.921 4.293 . 0 0 "[ . 1]" 1
539 1 18 LEU MD2 1 20 PRO HG3 5.100 . 6.000 4.379 4.281 4.590 . 0 0 "[ . 1]" 1
540 1 18 LEU MD2 1 21 TYR QD 2.800 . 3.800 2.622 2.367 2.917 . 0 0 "[ . 1]" 1
541 1 18 LEU MD2 1 22 GLY HA2 2.000 . 2.500 2.158 1.783 2.444 . 0 0 "[ . 1]" 1
542 1 18 LEU MD2 1 22 GLY HA3 5.100 . 6.000 3.417 3.146 3.591 . 0 0 "[ . 1]" 1
543 1 18 LEU MD2 1 23 VAL H 2.500 . 3.300 2.643 2.376 2.958 . 0 0 "[ . 1]" 1
544 1 18 LEU MD2 1 24 TRP H 3.400 . 4.800 3.256 2.950 3.446 . 0 0 "[ . 1]" 1
545 1 18 LEU MD2 1 24 TRP HA 2.300 . 3.000 2.583 2.153 2.888 . 0 0 "[ . 1]" 1
546 1 18 LEU MD2 1 24 TRP QB 5.100 . 6.000 3.662 3.425 3.852 . 0 0 "[ . 1]" 1
547 1 18 LEU MD2 1 24 TRP HD1 3.100 . 4.300 3.551 3.400 3.814 . 0 0 "[ . 1]" 1
548 1 18 LEU MD2 1 24 TRP HE1 3.100 . 4.300 3.272 3.090 3.495 . 0 0 "[ . 1]" 1
549 1 18 LEU MD2 1 24 TRP HE3 3.700 . 5.400 3.711 3.520 3.834 . 0 0 "[ . 1]" 1
550 1 18 LEU MD2 1 24 TRP HE3 2.800 . 3.800 3.324 3.262 3.371 . 0 0 "[ . 1]" 1
551 1 18 LEU MD2 1 24 TRP HZ2 5.100 . 6.000 3.769 3.533 3.973 . 0 0 "[ . 1]" 1
552 1 18 LEU MD2 1 24 TRP HZ3 3.200 . 4.500 4.493 4.423 4.512 0.012 3 0 "[ . 1]" 1
553 1 18 LEU MD2 1 25 TYR H 3.700 . 5.400 4.198 3.903 4.397 . 0 0 "[ . 1]" 1
554 1 18 LEU MD2 1 25 TYR QD 3.700 . 5.400 4.564 4.272 4.720 . 0 0 "[ . 1]" 1
555 1 18 LEU MD2 1 25 TYR QE 4.100 . 6.000 4.841 4.711 4.937 . 0 0 "[ . 1]" 1
556 1 18 LEU HG 1 19 SER H 3.300 . 6.000 4.560 4.418 4.670 . 0 0 "[ . 1]" 1
557 1 18 LEU HG 1 23 VAL H 2.100 . 6.000 3.299 3.137 3.518 . 0 0 "[ . 1]" 1
558 1 18 LEU HG 1 24 TRP HE3 3.600 . 5.200 3.452 3.318 3.698 . 0 0 "[ . 1]" 1
559 1 18 LEU HG 1 24 TRP HZ3 3.000 . 4.100 3.247 3.085 3.367 . 0 0 "[ . 1]" 1
560 1 19 SER H 1 21 TYR QD 3.100 . 4.300 3.038 2.829 3.298 . 0 0 "[ . 1]" 1
561 1 19 SER H 1 19 SER QB 2.800 . 3.800 2.187 2.085 2.344 . 0 0 "[ . 1]" 1
562 1 19 SER H 1 20 PRO HD3 2.900 . 6.000 4.935 4.812 5.342 . 0 0 "[ . 1]" 1
563 1 19 SER H 1 20 PRO HG3 3.700 . 5.400 3.279 2.890 3.518 . 0 0 "[ . 1]" 1
564 1 19 SER H 1 21 TYR QD 2.800 . 3.800 2.193 2.040 2.422 . 0 0 "[ . 1]" 1
565 1 19 SER H 1 22 GLY H 6.000 . 6.000 4.006 3.282 4.294 . 0 0 "[ . 1]" 1
566 1 19 SER H 1 23 VAL H 3.100 . 4.300 2.245 2.075 2.520 . 0 0 "[ . 1]" 1
567 1 19 SER H 1 24 TRP HA 6.000 . 6.000 3.987 3.732 4.173 . 0 0 "[ . 1]" 1
568 1 19 SER H 1 24 TRP HE3 6.000 . 6.000 5.929 5.730 6.010 0.010 10 0 "[ . 1]" 1
569 1 19 SER H 1 25 TYR QE 3.400 . 4.900 2.916 2.742 3.164 . 0 0 "[ . 1]" 1
570 1 19 SER H 1 25 TYR QE 3.400 . 4.900 2.891 2.723 3.117 . 0 0 "[ . 1]" 1
571 1 19 SER HA 1 19 SER QB 5.100 . 6.000 2.352 2.160 2.541 . 0 0 "[ . 1]" 1
572 1 19 SER HA 1 20 PRO HB3 5.100 . 6.000 5.519 5.220 5.617 . 0 0 "[ . 1]" 1
573 1 19 SER HA 1 20 PRO HD3 2.700 . 3.600 2.206 2.065 2.661 . 0 0 "[ . 1]" 1
574 1 19 SER HA 1 25 TYR QE 2.500 . 3.300 2.101 1.959 2.237 . 0 0 "[ . 1]" 1
575 1 19 SER QB 1 20 PRO HD2 2.300 . 2.900 2.510 2.059 2.849 . 0 0 "[ . 1]" 1
576 1 19 SER QB 1 20 PRO HD3 5.100 . 6.000 3.253 2.702 3.535 . 0 0 "[ . 1]" 1
577 1 19 SER QB 1 20 PRO HG3 5.900 . 6.000 1.967 1.621 2.336 . 0 0 "[ . 1]" 1
578 1 19 SER QB 1 21 TYR H 2.900 . 6.000 2.747 2.180 3.384 . 0 0 "[ . 1]" 1
579 1 19 SER QB 1 21 TYR QD 3.700 . 5.400 3.258 2.709 3.932 . 0 0 "[ . 1]" 1
580 1 19 SER QB 1 21 TYR QD . . 2.500 2.337 2.241 2.417 . 0 0 "[ . 1]" 1
581 1 19 SER QB 1 21 TYR QE 3.700 . 5.400 3.649 3.281 4.247 . 0 0 "[ . 1]" 1
582 1 19 SER QB 1 22 GLY H 6.000 . 6.000 3.919 2.597 4.622 . 0 0 "[ . 1]" 1
583 1 19 SER QB 1 23 VAL H 3.300 . 4.700 2.693 2.407 3.149 . 0 0 "[ . 1]" 1
584 1 19 SER QB 1 23 VAL HB 2.300 . 3.000 1.969 1.621 2.342 . 0 0 "[ . 1]" 1
585 1 19 SER QB 1 23 VAL MG1 3.100 . 6.000 3.342 3.067 3.550 . 0 0 "[ . 1]" 1
586 1 19 SER QB 1 23 VAL MG2 5.100 . 6.000 2.964 2.605 3.443 . 0 0 "[ . 1]" 1
587 1 19 SER QB 1 24 TRP QB 3.000 . 6.000 4.128 3.943 4.284 . 0 0 "[ . 1]" 1
588 1 19 SER QB 1 25 TYR QD 1.700 . 2.800 2.428 2.302 2.528 . 0 0 "[ . 1]" 1
589 1 19 SER QB 1 25 TYR QE . . 2.700 2.535 2.359 2.656 . 0 0 "[ . 1]" 1
590 1 20 PRO HA 1 20 PRO HD2 5.100 . 6.000 3.954 3.924 4.055 . 0 0 "[ . 1]" 1
591 1 20 PRO HA 1 20 PRO HD3 5.100 . 6.000 3.642 3.327 3.755 . 0 0 "[ . 1]" 1
592 1 20 PRO HA 1 21 TYR H 3.100 . 4.300 3.403 3.366 3.430 . 0 0 "[ . 1]" 1
593 1 20 PRO HB2 1 21 TYR H 3.000 . 4.100 3.378 3.217 3.600 . 0 0 "[ . 1]" 1
594 1 20 PRO HB2 1 21 TYR QD 3.500 . 5.100 2.779 2.669 2.895 . 0 0 "[ . 1]" 1
595 1 20 PRO HB2 1 21 TYR QE 2.100 . 2.700 2.728 2.704 2.757 0.057 8 0 "[ . 1]" 1
596 1 20 PRO HB3 1 21 TYR H 3.500 . 5.000 4.390 4.326 4.441 . 0 0 "[ . 1]" 1
597 1 20 PRO HB3 1 21 TYR QD 3.700 . 5.400 4.315 4.201 4.524 . 0 0 "[ . 1]" 1
598 1 20 PRO HB3 1 21 TYR QE 3.700 . 5.400 4.223 4.156 4.283 . 0 0 "[ . 1]" 1
599 1 20 PRO HD2 1 20 PRO HG3 5.100 . 6.000 2.916 2.668 2.981 . 0 0 "[ . 1]" 1
600 1 20 PRO HD2 1 21 TYR H 2.800 . 3.800 3.053 2.929 3.241 . 0 0 "[ . 1]" 1
601 1 20 PRO HD2 1 21 TYR QD 2.000 . 6.000 4.021 3.835 4.413 . 0 0 "[ . 1]" 1
602 1 20 PRO HD2 1 21 TYR QD 3.700 . 5.400 3.941 3.795 4.234 . 0 0 "[ . 1]" 1
603 1 20 PRO HD2 1 21 TYR QE 3.600 . 5.200 3.560 3.308 4.113 . 0 0 "[ . 1]" 1
604 1 20 PRO HD3 1 21 TYR QD 3.200 . 4.500 4.497 4.313 4.577 0.077 2 0 "[ . 1]" 1
605 1 20 PRO HD3 1 20 PRO HG3 5.100 . 6.000 2.212 2.181 2.243 . 0 0 "[ . 1]" 1
606 1 20 PRO HD3 1 21 TYR H 3.700 . 5.400 4.015 3.944 4.147 . 0 0 "[ . 1]" 1
607 1 20 PRO HD3 1 21 TYR H 3.100 . 4.300 3.847 3.800 3.962 . 0 0 "[ . 1]" 1
608 1 20 PRO HD3 1 21 TYR QD 3.700 . 5.400 5.311 5.209 5.484 0.084 10 0 "[ . 1]" 1
609 1 20 PRO HD3 1 21 TYR QE 6.000 . 6.000 4.872 4.668 5.131 . 0 0 "[ . 1]" 1
610 1 20 PRO HD3 1 25 TYR QD 3.700 . 5.400 4.824 4.485 5.012 . 0 0 "[ . 1]" 1
611 1 20 PRO HD3 1 25 TYR QE 3.100 . 4.300 3.861 3.606 4.246 . 0 0 "[ . 1]" 1
612 1 20 PRO QG 1 21 TYR H 3.100 . 4.300 3.663 3.056 3.970 . 0 0 "[ . 1]" 1
613 1 20 PRO QG 1 21 TYR QD 2.800 . 3.800 2.896 2.666 3.061 . 0 0 "[ . 1]" 1
614 1 20 PRO QG 1 21 TYR QE 3.200 . 4.500 3.210 2.652 3.449 . 0 0 "[ . 1]" 1
615 1 20 PRO HG2 1 21 TYR H 3.500 . 5.000 4.295 3.184 4.672 . 0 0 "[ . 1]" 1
616 1 20 PRO HG2 1 21 TYR QD 3.700 . 5.400 4.363 3.376 4.680 . 0 0 "[ . 1]" 1
617 1 20 PRO HG2 1 21 TYR QD 3.500 . 5.000 4.338 3.371 4.649 . 0 0 "[ . 1]" 1
618 1 20 PRO HG2 1 21 TYR QE 3.700 . 5.400 3.345 2.731 3.597 . 0 0 "[ . 1]" 1
619 1 20 PRO HG3 1 21 TYR H 3.500 . 5.000 4.039 3.917 4.330 . 0 0 "[ . 1]" 1
620 1 20 PRO HG3 1 21 TYR HB2 5.100 . 6.000 4.516 4.068 4.988 . 0 0 "[ . 1]" 1
621 1 20 PRO HG3 1 21 TYR QD 2.300 . 2.900 2.480 2.383 2.583 . 0 0 "[ . 1]" 1
622 1 20 PRO HG3 1 21 TYR QD 3.700 . 5.400 3.556 2.955 3.900 . 0 0 "[ . 1]" 1
623 1 20 PRO HG3 1 21 TYR QD 2.000 . 6.000 2.955 2.792 3.104 . 0 0 "[ . 1]" 1
624 1 20 PRO HG3 1 21 TYR QE 3.700 . 5.400 4.144 3.594 4.459 . 0 0 "[ . 1]" 1
625 1 20 PRO HG3 1 22 GLY H 3.800 . 5.600 4.747 4.231 5.029 . 0 0 "[ . 1]" 1
626 1 20 PRO HG3 1 25 TYR QD 2.000 . 6.000 3.228 2.857 3.551 . 0 0 "[ . 1]" 1
627 1 20 PRO HG3 1 25 TYR QE 3.700 . 5.400 4.328 4.014 4.617 . 0 0 "[ . 1]" 1
628 1 21 TYR H 1 21 TYR HB3 2.800 . 3.800 3.532 3.485 3.569 . 0 0 "[ . 1]" 1
629 1 21 TYR H 1 21 TYR HA 2.600 . 3.400 2.944 2.935 2.948 . 0 0 "[ . 1]" 1
630 1 21 TYR H 1 21 TYR HB2 2.500 . 3.300 3.114 2.992 3.201 . 0 0 "[ . 1]" 1
631 1 21 TYR H 1 21 TYR HB3 2.600 . 6.000 3.550 3.497 3.588 . 0 0 "[ . 1]" 1
632 1 21 TYR H 1 22 GLY H 2.500 . 3.300 2.422 2.059 2.650 . 0 0 "[ . 1]" 1
633 1 21 TYR H 1 23 VAL H 6.000 . 6.000 3.444 3.143 3.830 . 0 0 "[ . 1]" 1
634 1 21 TYR H 1 23 VAL MG1 3.600 . 5.200 4.782 4.700 4.853 . 0 0 "[ . 1]" 1
635 1 21 TYR H 1 23 VAL MG2 6.000 . 6.000 3.522 3.111 3.895 . 0 0 "[ . 1]" 1
636 1 21 TYR HA 1 21 TYR HB3 2.000 . 2.500 2.254 2.241 2.274 . 0 0 "[ . 1]" 1
637 1 21 TYR HA 1 21 TYR QD 2.500 . 3.300 2.921 2.712 3.079 . 0 0 "[ . 1]" 1
638 1 21 TYR HA 1 21 TYR QE 3.700 . 5.400 5.051 4.922 5.165 . 0 0 "[ . 1]" 1
639 1 21 TYR HA 1 23 VAL MG2 2.900 . 6.000 4.445 4.093 5.017 . 0 0 "[ . 1]" 1
640 1 21 TYR HB2 1 21 TYR QD 2.400 . 3.100 2.288 2.278 2.301 . 0 0 "[ . 1]" 1
641 1 21 TYR HB2 1 21 TYR QE 3.500 . 5.000 4.386 4.383 4.391 . 0 0 "[ . 1]" 1
642 1 21 TYR HB2 1 22 GLY H 3.300 . 4.700 3.904 3.121 4.151 . 0 0 "[ . 1]" 1
643 1 21 TYR HB2 1 23 VAL H 6.000 . 6.000 4.284 3.684 4.709 . 0 0 "[ . 1]" 1
644 1 21 TYR HB2 1 23 VAL MG1 5.100 . 6.000 4.969 4.724 5.457 . 0 0 "[ . 1]" 1
645 1 21 TYR HB2 1 23 VAL MG2 2.200 . 2.800 2.381 2.120 2.796 . 0 0 "[ . 1]" 1
646 1 21 TYR HB3 1 21 TYR QD 3.700 . 5.400 2.594 2.551 2.677 . 0 0 "[ . 1]" 1
647 1 21 TYR HB3 1 21 TYR QE 3.700 . 5.400 4.446 4.434 4.466 . 0 0 "[ . 1]" 1
648 1 21 TYR HB3 1 22 GLY H 2.100 . 2.700 2.320 2.287 2.451 . 0 0 "[ . 1]" 1
649 1 21 TYR HB3 1 23 VAL H 2.700 . 3.600 2.731 2.590 2.953 . 0 0 "[ . 1]" 1
650 1 21 TYR HB3 1 23 VAL MG2 2.100 . 6.000 3.591 3.440 3.802 . 0 0 "[ . 1]" 1
651 1 21 TYR QD 1 22 GLY H 6.000 . 6.000 4.510 3.860 4.725 . 0 0 "[ . 1]" 1
652 1 21 TYR QD 1 23 VAL MG1 2.900 . 3.900 3.005 2.756 3.158 . 0 0 "[ . 1]" 1
653 1 21 TYR QD 1 24 TRP HA 2.000 . 6.000 3.721 3.569 3.875 . 0 0 "[ . 1]" 1
654 1 21 TYR QD 1 23 VAL MG1 3.000 . 4.100 3.140 2.821 3.344 . 0 0 "[ . 1]" 1
655 1 21 TYR QD 1 23 VAL MG2 1.700 . 2.200 2.023 1.732 2.197 . 0 0 "[ . 1]" 1
656 1 21 TYR QD 1 24 TRP H 3.000 . 4.100 3.398 3.067 3.572 . 0 0 "[ . 1]" 1
657 1 21 TYR QE 1 23 VAL MG1 3.700 . 5.400 5.122 4.686 5.416 0.016 10 0 "[ . 1]" 1
658 1 21 TYR QE 1 23 VAL MG2 3.700 . 5.400 3.878 3.732 4.042 . 0 0 "[ . 1]" 1
659 1 22 GLY H 1 23 VAL H 2.800 . 3.800 2.676 2.007 2.949 . 0 0 "[ . 1]" 1
660 1 22 GLY H 1 23 VAL MG2 3.600 . 5.200 3.814 3.242 4.150 . 0 0 "[ . 1]" 1
661 1 22 GLY HA3 1 23 VAL H 2.900 . 4.000 3.550 3.491 3.571 . 0 0 "[ . 1]" 1
662 1 22 GLY HA3 1 23 VAL MG2 2.900 . 6.000 4.030 3.864 4.176 . 0 0 "[ . 1]" 1
663 1 23 VAL H 1 23 VAL HB 2.300 . 3.000 2.671 2.564 2.763 . 0 0 "[ . 1]" 1
664 1 23 VAL H 1 23 VAL MG1 3.000 . 4.100 3.867 3.813 3.908 . 0 0 "[ . 1]" 1
665 1 23 VAL H 1 23 VAL MG2 2.400 . 3.100 2.668 2.402 2.830 . 0 0 "[ . 1]" 1
666 1 23 VAL H 1 24 TRP H 3.600 . 5.300 4.310 4.170 4.509 . 0 0 "[ . 1]" 1
667 1 23 VAL HA 1 23 VAL MG1 5.100 . 6.000 2.301 2.213 2.405 . 0 0 "[ . 1]" 1
668 1 23 VAL HA 1 23 VAL MG2 5.100 . 6.000 2.401 2.324 2.505 . 0 0 "[ . 1]" 1
669 1 23 VAL HA 1 24 TRP H 2.000 . 2.500 2.151 2.135 2.204 . 0 0 "[ . 1]" 1
670 1 23 VAL HB 1 23 VAL MG1 5.100 . 6.000 2.104 2.087 2.129 . 0 0 "[ . 1]" 1
671 1 23 VAL HB 1 23 VAL MG2 5.100 . 6.000 2.097 2.085 2.128 . 0 0 "[ . 1]" 1
672 1 23 VAL HB 1 24 TRP H 2.900 . 6.000 4.177 3.969 4.278 . 0 0 "[ . 1]" 1
673 1 23 VAL MG1 1 23 VAL MG2 5.100 . 6.000 1.985 1.897 2.080 0.003 3 0 "[ . 1]" 1
674 1 23 VAL MG1 1 24 TRP H 2.500 . 3.300 2.595 2.014 2.903 . 0 0 "[ . 1]" 1
675 1 23 VAL MG1 1 24 TRP H 2.600 . 3.400 2.591 2.014 2.899 . 0 0 "[ . 1]" 1
676 1 23 VAL MG1 1 24 TRP QB 5.100 . 6.000 2.914 2.604 3.091 . 0 0 "[ . 1]" 1
677 1 23 VAL MG1 1 24 TRP HD1 3.700 . 6.000 5.183 4.991 5.350 . 0 0 "[ . 1]" 1
678 1 23 VAL MG1 1 25 TYR QB 5.900 . 6.000 3.004 2.632 3.190 . 0 0 "[ . 1]" 1
679 1 23 VAL MG1 1 25 TYR QD 3.700 . 5.400 3.256 2.860 3.497 . 0 0 "[ . 1]" 1
680 1 23 VAL MG1 1 25 TYR QE 3.600 . 5.200 5.021 4.714 5.170 . 0 0 "[ . 1]" 1
681 1 23 VAL MG2 1 24 TRP H 2.800 . 6.000 4.113 3.974 4.224 . 0 0 "[ . 1]" 1
682 1 23 VAL MG2 1 24 TRP H 2.800 . 6.000 4.104 3.966 4.215 . 0 0 "[ . 1]" 1
683 1 24 TRP H 1 24 TRP HA 2.800 . 3.700 2.881 2.845 2.914 . 0 0 "[ . 1]" 1
684 1 24 TRP H 1 24 TRP QB 2.100 . 2.600 2.303 2.256 2.350 . 0 0 "[ . 1]" 1
685 1 24 TRP H 1 24 TRP HD1 3.000 . 4.100 3.098 2.821 3.411 . 0 0 "[ . 1]" 1
686 1 24 TRP H 1 24 TRP HE3 6.000 . 6.000 5.020 4.958 5.131 . 0 0 "[ . 1]" 1
687 1 24 TRP H 1 24 TRP HE3 3.900 . 5.800 5.005 4.955 5.065 . 0 0 "[ . 1]" 1
688 1 24 TRP H 1 25 TYR H 6.000 . 6.000 4.326 4.126 4.511 . 0 0 "[ . 1]" 1
689 1 24 TRP H 1 25 TYR H 4.000 . 6.000 3.903 3.821 3.965 . 0 0 "[ . 1]" 1
690 1 24 TRP HA 1 24 TRP QB 5.100 . 6.000 2.409 2.387 2.438 . 0 0 "[ . 1]" 1
691 1 24 TRP HA 1 24 TRP QB 5.100 . 6.000 2.420 2.397 2.451 . 0 0 "[ . 1]" 1
692 1 24 TRP HA 1 24 TRP HD1 3.700 . 5.400 4.314 4.264 4.383 . 0 0 "[ . 1]" 1
693 1 24 TRP HA 1 24 TRP HD1 3.400 . 4.900 4.310 4.260 4.378 . 0 0 "[ . 1]" 1
694 1 24 TRP HA 1 24 TRP HE3 3.700 . 5.400 2.679 2.592 2.809 . 0 0 "[ . 1]" 1
695 1 24 TRP HA 1 24 TRP HE3 2.400 . 3.100 2.676 2.589 2.805 . 0 0 "[ . 1]" 1
696 1 24 TRP HA 1 24 TRP HZ3 5.100 . 6.000 4.793 4.726 4.923 . 0 0 "[ . 1]" 1
697 1 24 TRP HA 1 25 TYR H 1.400 . 2.200 2.169 2.132 2.227 0.027 10 0 "[ . 1]" 1
698 1 24 TRP HA 1 25 TYR QD 2.100 . 6.000 3.864 3.657 4.085 . 0 0 "[ . 1]" 1
699 1 24 TRP HA 1 25 TYR QD 6.000 . 6.000 3.559 3.477 3.661 . 0 0 "[ . 1]" 1
700 1 24 TRP QB 1 24 TRP HE3 2.600 . 3.400 2.741 2.681 2.771 . 0 0 "[ . 1]" 1
701 1 24 TRP QB 1 24 TRP HE3 3.700 . 5.400 2.744 2.684 2.774 . 0 0 "[ . 1]" 1
702 1 24 TRP QB 1 25 TYR H 3.700 . 5.400 2.831 2.793 2.875 . 0 0 "[ . 1]" 1
703 1 24 TRP QB 1 25 TYR HA 5.100 . 6.000 2.176 2.174 2.179 . 0 0 "[ . 1]" 1
704 1 24 TRP QB 1 25 TYR QE 3.700 . 5.400 3.907 3.904 3.910 . 0 0 "[ . 1]" 1
705 1 24 TRP HB3 1 26 CYS H 2.000 . 6.000 2.534 2.312 2.709 . 0 0 "[ . 1]" 1
706 1 24 TRP HB3 1 27 SER H 3.100 . 4.300 3.466 3.059 3.762 . 0 0 "[ . 1]" 1
707 1 24 TRP HE3 1 25 TYR QD 4.000 . 6.000 5.720 5.404 5.937 . 0 0 "[ . 1]" 1
708 1 24 TRP HE3 1 25 TYR H 6.000 . 6.000 3.661 3.237 4.080 . 0 0 "[ . 1]" 1
709 1 24 TRP HH2 1 24 TRP HZ3 2.400 . 3.100 2.441 2.440 2.443 . 0 0 "[ . 1]" 1
710 1 25 TYR H 1 25 TYR QD 2.700 . 3.600 2.681 2.499 2.955 . 0 0 "[ . 1]" 1
711 1 25 TYR H 1 25 TYR QE 4.400 . 6.000 4.172 4.060 4.441 . 0 0 "[ . 1]" 1
712 1 25 TYR H 1 26 CYS H 6.000 . 6.000 4.454 4.335 4.512 . 0 0 "[ . 1]" 1
713 1 25 TYR HA 1 25 TYR QD 3.700 . 5.400 3.317 3.115 3.436 . 0 0 "[ . 1]" 1
714 1 25 TYR HA 1 25 TYR QE 3.700 . 5.400 3.913 3.383 4.208 . 0 0 "[ . 1]" 1
715 1 25 TYR HA 1 26 CYS H 2.300 . 2.900 2.328 2.250 2.474 . 0 0 "[ . 1]" 1
716 1 25 TYR QB 1 25 TYR QD 2.100 . 2.600 2.137 2.136 2.138 . 0 0 "[ . 1]" 1
717 1 25 TYR QB 1 26 CYS H 6.000 . 6.000 2.595 2.336 2.804 . 0 0 "[ . 1]" 1
718 1 25 TYR QD 1 26 CYS H 3.000 . 4.100 3.477 3.103 3.689 . 0 0 "[ . 1]" 1
719 1 25 TYR QD 1 26 CYS HB2 3.700 . 5.400 5.027 4.706 5.193 . 0 0 "[ . 1]" 1
720 1 25 TYR QD 1 26 CYS HB3 3.700 . 6.000 5.731 5.494 5.878 . 0 0 "[ . 1]" 1
721 1 25 TYR QD 1 27 SER HA 6.000 . 6.000 3.716 3.329 3.991 . 0 0 "[ . 1]" 1
722 1 25 TYR QD 1 27 SER HB3 3.700 . 5.400 4.692 4.258 5.139 . 0 0 "[ . 1]" 1
723 1 25 TYR QE 1 26 CYS H 6.000 . 6.000 5.643 5.324 5.823 . 0 0 "[ . 1]" 1
724 1 25 TYR QE 1 27 SER HB2 3.500 . 5.000 2.552 2.117 3.680 . 0 0 "[ . 1]" 1
725 1 25 TYR QE 1 27 SER HB3 3.100 . 4.300 3.912 3.542 4.166 . 0 0 "[ . 1]" 1
726 1 25 TYR QE 1 28 PRO HD3 3.700 . 6.000 5.824 4.800 6.352 0.352 1 0 "[ . 1]" 1
727 1 26 CYS H 1 26 CYS HB2 2.400 . 3.100 2.891 2.690 2.963 . 0 0 "[ . 1]" 1
728 1 26 CYS H 1 27 SER H 6.000 . 6.000 4.457 4.317 4.512 . 0 0 "[ . 1]" 1
729 1 26 CYS HA 1 27 SER H 6.000 . 6.000 2.146 2.133 2.183 . 0 0 "[ . 1]" 1
730 1 26 CYS HB2 1 27 SER H 3.400 . 4.900 3.940 3.808 4.170 . 0 0 "[ . 1]" 1
731 1 26 CYS HB3 1 27 SER H 3.300 . 4.700 3.471 3.060 3.770 . 0 0 "[ . 1]" 1
732 1 27 SER H 1 27 SER HA 2.700 . 3.600 2.941 2.919 2.948 . 0 0 "[ . 1]" 1
733 1 27 SER HA 1 27 SER HB3 2.300 . 3.000 2.943 2.614 3.019 0.019 7 0 "[ . 1]" 1
734 1 27 SER HA 1 28 PRO HB3 5.900 . 6.000 4.027 3.892 4.128 . 0 0 "[ . 1]" 1
735 1 27 SER HA 1 28 PRO HD3 2.000 . 2.500 2.110 1.825 2.459 . 0 0 "[ . 1]" 1
736 1 27 SER HB2 1 29 PHE H 3.500 . 5.000 3.238 2.327 3.890 . 0 0 "[ . 1]" 1
737 1 28 PRO HA 1 28 PRO HD3 5.100 . 6.000 3.740 3.539 3.908 . 0 0 "[ . 1]" 1
738 1 28 PRO HA 1 29 PHE H 2.100 . 2.700 2.127 2.093 2.187 . 0 0 "[ . 1]" 1
739 1 28 PRO HB2 1 29 PHE H 2.900 . 4.000 3.521 3.016 3.807 . 0 0 "[ . 1]" 1
740 1 28 PRO HB2 1 29 PHE H 2.900 . 3.900 3.317 2.805 3.781 . 0 0 "[ . 1]" 1
741 1 28 PRO HB3 1 29 PHE H 3.100 . 4.300 3.481 2.984 3.779 . 0 0 "[ . 1]" 1
742 1 29 PHE H 1 29 PHE QB 2.200 . 2.800 2.526 2.025 2.869 0.069 10 0 "[ . 1]" 1
743 1 29 PHE H 1 29 PHE HB2 2.500 . 6.000 2.771 2.063 3.444 . 0 0 "[ . 1]" 1
744 1 29 PHE H 1 29 PHE HB3 2.700 . 3.600 3.093 2.947 3.304 . 0 0 "[ . 1]" 1
745 1 29 PHE H 1 29 PHE QD 3.400 . 4.900 2.552 2.184 2.776 . 0 0 "[ . 1]" 1
746 1 29 PHE H 1 29 PHE QE 6.000 . 6.000 3.779 3.470 4.102 . 0 0 "[ . 1]" 1
747 1 29 PHE H 1 30 SER HA 3.800 . 5.600 2.684 2.263 2.907 . 0 0 "[ . 1]" 1
748 1 29 PHE HA 1 29 PHE QD 3.700 . 5.400 3.700 3.632 3.734 . 0 0 "[ . 1]" 1
749 1 29 PHE HA 1 30 SER H 2.200 . 6.000 2.935 2.345 3.485 . 0 0 "[ . 1]" 1
750 1 29 PHE HB3 1 29 PHE QD 2.600 . 3.500 2.319 2.263 2.410 . 0 0 "[ . 1]" 1
751 1 30 SER H 1 30 SER QB 2.800 . 3.800 2.815 2.222 3.100 . 0 0 "[ . 1]" 1
752 1 30 SER HA 1 30 SER QB 2.000 . 2.500 2.346 2.166 2.518 0.018 9 0 "[ . 1]" 1
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