Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583867 | 2mm5 RC | 19846 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mm5
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 341
_Distance_constraint_stats_list.Viol_count 443
_Distance_constraint_stats_list.Viol_total 515.845
_Distance_constraint_stats_list.Viol_max 0.507
_Distance_constraint_stats_list.Viol_rms 0.0424
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.1059
_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 CYS 2.085 0.202 6 0 "[ . 1 ]"
1 2 VAL 1.569 0.175 11 0 "[ . 1 ]"
1 3 PRO 1.390 0.117 4 0 "[ . 1 ]"
1 4 GLN 3.286 0.144 8 0 "[ . 1 ]"
1 5 TYR 1.547 0.202 11 0 "[ . 1 ]"
1 6 GLY 1.781 0.175 11 0 "[ . 1 ]"
1 7 VAL 2.253 0.185 6 0 "[ . 1 ]"
1 8 CYS 1.558 0.185 10 0 "[ . 1 ]"
1 9 ASP 3.535 0.259 2 0 "[ . 1 ]"
1 10 GLY 2.038 0.210 4 0 "[ . 1 ]"
1 11 ILE 7.101 0.280 6 0 "[ . 1 ]"
1 12 ILE 4.824 0.273 4 0 "[ . 1 ]"
1 13 ASN 5.895 0.280 6 0 "[ . 1 ]"
1 14 GLN 4.686 0.349 9 0 "[ . 1 ]"
1 15 CYS 3.293 0.349 9 0 "[ . 1 ]"
1 16 CYS 3.309 0.249 4 0 "[ . 1 ]"
1 17 ASP 3.305 0.249 4 0 "[ . 1 ]"
1 18 PRO 2.918 0.234 9 0 "[ . 1 ]"
1 19 TYR 2.874 0.284 1 0 "[ . 1 ]"
1 20 TYR 3.660 0.222 6 0 "[ . 1 ]"
1 21 CYS 3.606 0.295 4 0 "[ . 1 ]"
1 22 SER 2.494 0.228 10 0 "[ . 1 ]"
1 23 PRO 2.119 0.228 10 0 "[ . 1 ]"
1 24 PRO 1.690 0.470 10 0 "[ . 1 ]"
1 25 ILE 5.962 0.507 6 1 "[ .+ 1 ]"
1 26 TYR 2.113 0.507 6 1 "[ .+ 1 ]"
1 27 GLY 4.685 0.470 10 0 "[ . 1 ]"
1 28 HIS 0.083 0.047 11 0 "[ . 1 ]"
1 29 CYS 1.867 0.295 4 0 "[ . 1 ]"
1 30 ILE 5.402 0.222 6 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 CYS HA 1 2 VAL H . . 3.400 2.264 2.198 2.423 . 0 0 "[ . 1 ]" 1
2 1 1 CYS HA 1 2 VAL HB . . 5.500 4.610 4.491 4.664 . 0 0 "[ . 1 ]" 1
3 1 1 CYS HA 1 16 CYS H . . 5.000 4.922 4.294 5.083 0.083 3 0 "[ . 1 ]" 1
4 1 1 CYS HA 1 16 CYS HB3 . . 5.500 5.477 5.079 5.592 0.092 9 0 "[ . 1 ]" 1
5 1 1 CYS QB 1 2 VAL H . . 4.200 2.780 2.542 2.924 . 0 0 "[ . 1 ]" 1
6 1 1 CYS QB 1 2 VAL HB . . 5.500 5.038 4.937 5.145 . 0 0 "[ . 1 ]" 1
7 1 1 CYS QB 1 2 VAL MG1 . . 5.500 5.494 5.253 5.574 0.074 9 0 "[ . 1 ]" 1
8 1 1 CYS QB 1 2 VAL MG2 . . 5.000 4.505 4.111 4.657 . 0 0 "[ . 1 ]" 1
9 1 1 CYS QB 1 15 CYS HA . . 5.000 4.060 3.908 4.489 . 0 0 "[ . 1 ]" 1
10 1 1 CYS QB 1 16 CYS H . . 4.200 3.897 3.771 4.341 0.141 11 0 "[ . 1 ]" 1
11 1 1 CYS QB 1 16 CYS HA . . 4.200 2.657 2.361 3.795 . 0 0 "[ . 1 ]" 1
12 1 1 CYS QB 1 16 CYS HB3 . . 5.000 3.506 3.359 3.561 . 0 0 "[ . 1 ]" 1
13 1 1 CYS QB 1 17 ASP H . . 5.000 4.417 4.190 5.202 0.202 6 0 "[ . 1 ]" 1
14 1 2 VAL H 1 3 PRO HD2 . . 5.500 4.845 4.782 4.860 . 0 0 "[ . 1 ]" 1
15 1 2 VAL H 1 3 PRO HD3 . . 5.500 4.851 4.595 4.919 . 0 0 "[ . 1 ]" 1
16 1 2 VAL H 1 15 CYS HA . . 4.200 1.988 1.887 2.259 . 0 0 "[ . 1 ]" 1
17 1 2 VAL H 1 15 CYS HB2 . . 5.500 4.692 4.522 4.835 . 0 0 "[ . 1 ]" 1
18 1 2 VAL H 1 16 CYS H . . 4.200 3.248 2.379 3.565 . 0 0 "[ . 1 ]" 1
19 1 2 VAL H 1 16 CYS HB3 . . 5.500 4.406 3.487 4.789 . 0 0 "[ . 1 ]" 1
20 1 2 VAL HA 1 3 PRO HB2 . . 5.500 5.490 5.487 5.494 . 0 0 "[ . 1 ]" 1
21 1 2 VAL HA 1 3 PRO HD2 . . 3.400 2.132 2.120 2.142 . 0 0 "[ . 1 ]" 1
22 1 2 VAL HA 1 3 PRO HD3 . . 3.400 2.242 2.241 2.243 . 0 0 "[ . 1 ]" 1
23 1 2 VAL HA 1 3 PRO QG . . 5.000 3.851 3.845 3.856 . 0 0 "[ . 1 ]" 1
24 1 2 VAL HA 1 4 GLN H . . 5.500 5.290 5.220 5.328 . 0 0 "[ . 1 ]" 1
25 1 2 VAL HA 1 6 GLY HA3 . . 5.500 5.058 4.875 5.108 . 0 0 "[ . 1 ]" 1
26 1 2 VAL HA 1 16 CYS H . . 5.000 4.901 4.501 5.047 0.047 9 0 "[ . 1 ]" 1
27 1 2 VAL HB 1 8 CYS HB3 . . 5.500 3.038 2.631 3.544 . 0 0 "[ . 1 ]" 1
28 1 2 VAL HB 1 15 CYS HA . . 3.400 1.942 1.912 1.965 . 0 0 "[ . 1 ]" 1
29 1 2 VAL HB 1 15 CYS HB2 . . 5.500 4.395 3.963 4.551 . 0 0 "[ . 1 ]" 1
30 1 2 VAL HB 1 16 CYS H . . 4.200 3.647 3.286 3.901 . 0 0 "[ . 1 ]" 1
31 1 2 VAL MG1 1 3 PRO HD2 . . 5.000 1.792 1.748 1.833 . 0 0 "[ . 1 ]" 1
32 1 2 VAL MG1 1 3 PRO HD3 . . 4.200 3.205 3.156 3.242 . 0 0 "[ . 1 ]" 1
33 1 2 VAL MG1 1 3 PRO QG . . 5.000 2.943 2.917 2.971 . 0 0 "[ . 1 ]" 1
34 1 2 VAL MG1 1 5 TYR H . . 5.500 4.523 4.445 4.651 . 0 0 "[ . 1 ]" 1
35 1 2 VAL MG1 1 6 GLY H . . 5.000 2.886 2.740 3.008 . 0 0 "[ . 1 ]" 1
36 1 2 VAL MG1 1 6 GLY HA2 . . 5.000 3.457 3.344 3.569 . 0 0 "[ . 1 ]" 1
37 1 2 VAL MG1 1 6 GLY HA3 . . 4.200 2.006 1.846 2.129 . 0 0 "[ . 1 ]" 1
38 1 2 VAL MG1 1 7 VAL H . . 5.500 4.280 4.094 4.395 . 0 0 "[ . 1 ]" 1
39 1 2 VAL MG1 1 8 CYS H . . 5.500 4.512 4.014 5.269 . 0 0 "[ . 1 ]" 1
40 1 2 VAL MG1 1 15 CYS HB2 . . 5.500 5.344 5.109 5.447 . 0 0 "[ . 1 ]" 1
41 1 2 VAL MG1 1 16 CYS H . . 5.000 4.307 4.238 4.419 . 0 0 "[ . 1 ]" 1
42 1 2 VAL MG1 1 29 CYS H . . 5.000 3.933 3.737 4.430 . 0 0 "[ . 1 ]" 1
43 1 2 VAL MG1 1 29 CYS HB2 . . 5.000 3.150 2.983 3.245 . 0 0 "[ . 1 ]" 1
44 1 2 VAL MG1 1 29 CYS HB3 . . 5.500 3.846 3.596 3.975 . 0 0 "[ . 1 ]" 1
45 1 2 VAL MG2 1 6 GLY H . . 5.000 5.089 4.996 5.175 0.175 11 0 "[ . 1 ]" 1
46 1 2 VAL MG2 1 14 GLN HB2 . . 5.000 4.567 4.149 4.973 . 0 0 "[ . 1 ]" 1
47 1 2 VAL MG2 1 16 CYS H . . 5.500 4.823 4.323 5.058 . 0 0 "[ . 1 ]" 1
48 1 3 PRO HA 1 4 GLN H . . 3.400 3.498 3.488 3.517 0.117 4 0 "[ . 1 ]" 1
49 1 3 PRO HA 1 16 CYS H . . 4.200 4.203 4.069 4.306 0.106 6 0 "[ . 1 ]" 1
50 1 3 PRO HA 1 16 CYS HB2 . . 5.500 3.676 3.521 4.220 . 0 0 "[ . 1 ]" 1
51 1 3 PRO HA 1 16 CYS HB3 . . 4.200 2.958 2.743 3.654 . 0 0 "[ . 1 ]" 1
52 1 3 PRO HA 1 19 TYR QD . . 5.000 3.188 2.861 3.504 . 0 0 "[ . 1 ]" 1
53 1 3 PRO HB2 1 4 GLN H . . 4.200 1.843 1.805 1.919 . 0 0 "[ . 1 ]" 1
54 1 3 PRO HB3 1 4 GLN H . . 5.500 3.329 3.309 3.367 . 0 0 "[ . 1 ]" 1
55 1 3 PRO QG 1 4 GLN H . . 4.200 1.790 1.740 1.817 . 0 0 "[ . 1 ]" 1
56 1 3 PRO QG 1 6 GLY H . . 5.000 4.743 4.342 5.020 0.020 9 0 "[ . 1 ]" 1
57 1 3 PRO QG 1 6 GLY HA3 . . 5.500 4.207 3.846 4.480 . 0 0 "[ . 1 ]" 1
58 1 4 GLN H 1 5 TYR H . . 5.000 4.388 4.371 4.419 . 0 0 "[ . 1 ]" 1
59 1 4 GLN H 1 6 GLY H . . 5.500 4.377 3.899 4.720 . 0 0 "[ . 1 ]" 1
60 1 4 GLN H 1 29 CYS HB3 . . 5.500 5.235 4.985 5.557 0.057 1 0 "[ . 1 ]" 1
61 1 4 GLN HA 1 5 TYR H . . 3.400 2.252 2.227 2.303 . 0 0 "[ . 1 ]" 1
62 1 4 GLN HA 1 5 TYR HA . . 5.000 4.446 4.427 4.485 . 0 0 "[ . 1 ]" 1
63 1 4 GLN HA 1 19 TYR QD . . 5.000 4.092 3.903 4.245 . 0 0 "[ . 1 ]" 1
64 1 4 GLN HA 1 29 CYS H . . 5.000 4.006 3.621 4.378 . 0 0 "[ . 1 ]" 1
65 1 4 GLN HA 1 29 CYS HB2 . . 4.200 1.927 1.855 2.082 . 0 0 "[ . 1 ]" 1
66 1 4 GLN HA 1 29 CYS HB3 . . 4.200 2.974 2.815 3.213 . 0 0 "[ . 1 ]" 1
67 1 4 GLN HB2 1 5 TYR H . . 4.200 3.695 3.521 3.834 . 0 0 "[ . 1 ]" 1
68 1 4 GLN HB2 1 5 TYR QD . . 5.000 4.547 4.329 5.013 0.013 1 0 "[ . 1 ]" 1
69 1 4 GLN HB2 1 19 TYR QD . . 5.000 3.141 2.816 3.296 . 0 0 "[ . 1 ]" 1
70 1 4 GLN HB2 1 30 ILE HA . . 4.200 4.295 4.225 4.344 0.144 8 0 "[ . 1 ]" 1
71 1 4 GLN HB3 1 4 GLN HE22 . . 4.200 4.278 4.247 4.315 0.115 1 0 "[ . 1 ]" 1
72 1 4 GLN HB3 1 5 TYR H . . 4.200 4.126 4.013 4.221 0.021 3 0 "[ . 1 ]" 1
73 1 4 GLN HB3 1 5 TYR QD . . 5.000 4.738 4.373 5.021 0.021 1 0 "[ . 1 ]" 1
74 1 4 GLN HB3 1 19 TYR QD . . 5.500 4.512 4.169 4.789 . 0 0 "[ . 1 ]" 1
75 1 4 GLN HE21 1 30 ILE MD . . 4.200 3.816 3.556 4.181 . 0 0 "[ . 1 ]" 1
76 1 4 GLN HE22 1 4 GLN HG3 . . 4.200 3.597 3.565 3.618 . 0 0 "[ . 1 ]" 1
77 1 4 GLN HE22 1 30 ILE HA . . 5.000 4.637 4.410 4.873 . 0 0 "[ . 1 ]" 1
78 1 4 GLN QG 1 5 TYR H . . 5.500 2.219 2.062 2.345 . 0 0 "[ . 1 ]" 1
79 1 4 GLN QG 1 5 TYR QD . . 5.500 2.048 1.898 2.396 . 0 0 "[ . 1 ]" 1
80 1 4 GLN QG 1 5 TYR QE . . 5.000 3.588 3.328 4.170 . 0 0 "[ . 1 ]" 1
81 1 4 GLN QG 1 19 TYR QE . . 5.500 4.100 3.780 4.545 . 0 0 "[ . 1 ]" 1
82 1 4 GLN HG2 1 5 TYR QD . . 5.500 2.663 2.012 2.959 . 0 0 "[ . 1 ]" 1
83 1 4 GLN HG2 1 30 ILE MD . . 5.000 4.888 4.285 5.046 0.046 3 0 "[ . 1 ]" 1
84 1 4 GLN HG3 1 5 TYR H . . 5.000 2.291 2.100 2.417 . 0 0 "[ . 1 ]" 1
85 1 4 GLN HG3 1 5 TYR QD . . 5.000 2.174 1.977 2.619 . 0 0 "[ . 1 ]" 1
86 1 4 GLN HG3 1 5 TYR QE . . 5.000 3.837 3.534 4.607 . 0 0 "[ . 1 ]" 1
87 1 4 GLN HG3 1 19 TYR QD . . 5.000 4.307 3.971 4.559 . 0 0 "[ . 1 ]" 1
88 1 5 TYR H 1 6 GLY H . . 4.200 2.686 2.595 2.782 . 0 0 "[ . 1 ]" 1
89 1 5 TYR H 1 6 GLY HA3 . . 5.500 5.002 4.970 5.021 . 0 0 "[ . 1 ]" 1
90 1 5 TYR H 1 28 HIS HB2 . . 5.500 5.163 4.784 5.484 . 0 0 "[ . 1 ]" 1
91 1 5 TYR H 1 28 HIS HB3 . . 5.000 3.479 3.127 3.846 . 0 0 "[ . 1 ]" 1
92 1 5 TYR H 1 29 CYS H . . 4.200 3.158 2.496 3.651 . 0 0 "[ . 1 ]" 1
93 1 5 TYR H 1 29 CYS HB2 . . 4.200 2.713 2.609 2.886 . 0 0 "[ . 1 ]" 1
94 1 5 TYR H 1 29 CYS HB3 . . 4.200 4.230 4.192 4.287 0.087 1 0 "[ . 1 ]" 1
95 1 5 TYR H 1 30 ILE HA . . 5.000 4.492 3.823 4.838 . 0 0 "[ . 1 ]" 1
96 1 5 TYR H 1 30 ILE MD . . 5.000 3.567 3.350 3.736 . 0 0 "[ . 1 ]" 1
97 1 5 TYR HA 1 6 GLY H . . 4.200 2.925 2.763 3.146 . 0 0 "[ . 1 ]" 1
98 1 5 TYR HA 1 28 HIS HB2 . . 5.500 4.322 3.995 4.542 . 0 0 "[ . 1 ]" 1
99 1 5 TYR HA 1 28 HIS HB3 . . 5.000 2.765 2.396 3.027 . 0 0 "[ . 1 ]" 1
100 1 5 TYR HA 1 28 HIS HE1 . . 5.000 4.360 3.647 4.958 . 0 0 "[ . 1 ]" 1
101 1 5 TYR HA 1 29 CYS H . . 5.000 3.733 3.212 4.108 . 0 0 "[ . 1 ]" 1
102 1 5 TYR HB2 1 6 GLY H . . 5.000 4.209 3.981 4.360 . 0 0 "[ . 1 ]" 1
103 1 5 TYR QD 1 30 ILE HA . . 5.500 4.737 4.271 5.184 . 0 0 "[ . 1 ]" 1
104 1 5 TYR QD 1 30 ILE MD . . 5.000 3.266 3.048 3.476 . 0 0 "[ . 1 ]" 1
105 1 5 TYR QD 1 30 ILE MG . . 5.000 5.097 4.920 5.202 0.202 11 0 "[ . 1 ]" 1
106 1 5 TYR QE 1 30 ILE MG . . 5.000 4.483 4.166 4.904 . 0 0 "[ . 1 ]" 1
107 1 6 GLY H 1 29 CYS HB3 . . 5.500 4.604 4.288 4.895 . 0 0 "[ . 1 ]" 1
108 1 6 GLY HA2 1 7 VAL H . . 3.400 2.689 2.136 3.056 . 0 0 "[ . 1 ]" 1
109 1 6 GLY HA2 1 7 VAL HB . . 5.000 4.811 4.669 4.910 . 0 0 "[ . 1 ]" 1
110 1 6 GLY HA2 1 28 HIS HE1 . . 5.000 4.589 3.743 5.047 0.047 11 0 "[ . 1 ]" 1
111 1 6 GLY HA3 1 7 VAL H . . 3.400 3.433 3.291 3.511 0.111 3 0 "[ . 1 ]" 1
112 1 6 GLY HA3 1 7 VAL MG1 . . 5.500 3.968 3.765 4.327 . 0 0 "[ . 1 ]" 1
113 1 6 GLY HA3 1 29 CYS H . . 5.500 4.628 4.196 5.088 . 0 0 "[ . 1 ]" 1
114 1 7 VAL H 1 8 CYS H . . 5.000 3.862 3.516 4.532 . 0 0 "[ . 1 ]" 1
115 1 7 VAL H 1 28 HIS HE1 . . 4.200 3.133 2.839 3.340 . 0 0 "[ . 1 ]" 1
116 1 7 VAL HA 1 8 CYS H . . 3.400 2.241 2.125 2.311 . 0 0 "[ . 1 ]" 1
117 1 7 VAL HA 1 8 CYS HA . . 5.500 4.436 4.400 4.466 . 0 0 "[ . 1 ]" 1
118 1 7 VAL HA 1 8 CYS HB3 . . 5.500 5.004 4.845 5.089 . 0 0 "[ . 1 ]" 1
119 1 7 VAL HA 1 28 HIS HA . . 4.200 2.474 2.066 2.732 . 0 0 "[ . 1 ]" 1
120 1 7 VAL HA 1 28 HIS HE1 . . 4.200 3.956 3.364 4.192 . 0 0 "[ . 1 ]" 1
121 1 7 VAL HA 1 29 CYS H . . 4.200 4.202 4.072 4.294 0.094 10 0 "[ . 1 ]" 1
122 1 7 VAL HB 1 8 CYS H . . 5.000 4.466 4.243 4.557 . 0 0 "[ . 1 ]" 1
123 1 7 VAL MG1 1 8 CYS H . . 5.000 4.230 4.109 4.261 . 0 0 "[ . 1 ]" 1
124 1 7 VAL MG1 1 28 HIS HA . . 5.500 5.040 4.729 5.297 . 0 0 "[ . 1 ]" 1
125 1 7 VAL MG1 1 28 HIS HE1 . . 4.200 3.813 3.455 4.048 . 0 0 "[ . 1 ]" 1
126 1 7 VAL MG2 1 8 CYS H . . 4.200 3.381 2.798 3.605 . 0 0 "[ . 1 ]" 1
127 1 7 VAL MG2 1 27 GLY H . . 5.000 5.117 4.979 5.185 0.185 6 0 "[ . 1 ]" 1
128 1 7 VAL MG2 1 28 HIS HA . . 5.500 4.347 4.045 4.611 . 0 0 "[ . 1 ]" 1
129 1 7 VAL MG2 1 28 HIS HE1 . . 5.000 4.493 3.852 4.834 . 0 0 "[ . 1 ]" 1
130 1 8 CYS H 1 28 HIS HA . . 4.200 2.444 2.219 2.849 . 0 0 "[ . 1 ]" 1
131 1 8 CYS H 1 29 CYS H . . 5.500 3.617 3.233 4.250 . 0 0 "[ . 1 ]" 1
132 1 8 CYS HA 1 9 ASP H . . 3.400 2.460 2.391 2.499 . 0 0 "[ . 1 ]" 1
133 1 8 CYS HA 1 9 ASP HB3 . . 5.500 4.847 4.657 4.907 . 0 0 "[ . 1 ]" 1
134 1 8 CYS HB2 1 9 ASP H . . 4.200 2.262 2.176 2.455 . 0 0 "[ . 1 ]" 1
135 1 8 CYS HB2 1 10 GLY H . . 5.000 4.952 4.658 5.044 0.044 5 0 "[ . 1 ]" 1
136 1 8 CYS HB2 1 14 GLN HA . . 5.500 4.176 3.696 4.635 . 0 0 "[ . 1 ]" 1
137 1 8 CYS HB2 1 14 GLN HB3 . . 5.500 3.858 3.402 4.317 . 0 0 "[ . 1 ]" 1
138 1 8 CYS HB2 1 15 CYS H . . 5.500 4.286 3.735 4.655 . 0 0 "[ . 1 ]" 1
139 1 8 CYS HB2 1 21 CYS HB2 . . 4.200 3.912 3.606 4.055 . 0 0 "[ . 1 ]" 1
140 1 8 CYS HB2 1 21 CYS HB3 . . 5.000 5.050 4.739 5.136 0.136 3 0 "[ . 1 ]" 1
141 1 8 CYS HB3 1 15 CYS HA . . 5.500 3.708 3.451 3.980 . 0 0 "[ . 1 ]" 1
142 1 8 CYS HB3 1 21 CYS HB2 . . 5.000 4.998 4.842 5.185 0.185 10 0 "[ . 1 ]" 1
143 1 9 ASP H 1 9 ASP HB3 . . 4.200 3.777 3.641 3.815 . 0 0 "[ . 1 ]" 1
144 1 9 ASP H 1 10 GLY H . . 4.200 4.009 3.847 4.069 . 0 0 "[ . 1 ]" 1
145 1 9 ASP HA 1 10 GLY H . . 3.400 2.140 2.137 2.152 . 0 0 "[ . 1 ]" 1
146 1 9 ASP HA 1 25 ILE HA . . 5.500 5.192 4.963 5.371 . 0 0 "[ . 1 ]" 1
147 1 9 ASP HA 1 26 TYR H . . 5.000 4.671 4.472 4.742 . 0 0 "[ . 1 ]" 1
148 1 9 ASP HA 1 26 TYR HB2 . . 5.500 4.599 4.503 4.725 . 0 0 "[ . 1 ]" 1
149 1 9 ASP HA 1 26 TYR QD . . 5.000 2.765 1.882 3.250 . 0 0 "[ . 1 ]" 1
150 1 9 ASP HA 1 27 GLY H . . 5.000 3.380 3.244 3.619 . 0 0 "[ . 1 ]" 1
151 1 9 ASP HB2 1 10 GLY H . . 4.200 3.629 3.560 3.755 . 0 0 "[ . 1 ]" 1
152 1 9 ASP HB2 1 10 GLY HA2 . . 5.500 4.293 4.214 4.440 . 0 0 "[ . 1 ]" 1
153 1 9 ASP HB2 1 10 GLY HA3 . . 5.500 4.677 4.481 4.764 . 0 0 "[ . 1 ]" 1
154 1 9 ASP HB2 1 25 ILE MD . . 5.000 4.993 4.674 5.071 0.071 11 0 "[ . 1 ]" 1
155 1 9 ASP HB2 1 25 ILE MG . . 5.500 5.099 4.827 5.244 . 0 0 "[ . 1 ]" 1
156 1 9 ASP HB2 1 27 GLY H . . 5.500 5.654 5.555 5.759 0.259 2 0 "[ . 1 ]" 1
157 1 9 ASP HB3 1 10 GLY H . . 4.200 4.047 3.982 4.243 0.043 2 0 "[ . 1 ]" 1
158 1 9 ASP HB3 1 25 ILE MD . . 5.500 5.627 5.572 5.656 0.156 4 0 "[ . 1 ]" 1
159 1 9 ASP HB3 1 26 TYR HA . . 5.500 2.527 2.210 2.760 . 0 0 "[ . 1 ]" 1
160 1 9 ASP HB3 1 26 TYR QD . . 5.000 2.899 2.790 3.092 . 0 0 "[ . 1 ]" 1
161 1 10 GLY H 1 11 ILE H . . 4.200 4.332 4.265 4.410 0.210 4 0 "[ . 1 ]" 1
162 1 10 GLY H 1 25 ILE HA . . 4.200 4.210 4.030 4.402 0.202 2 0 "[ . 1 ]" 1
163 1 10 GLY HA2 1 11 ILE H . . 4.200 2.390 2.310 2.513 . 0 0 "[ . 1 ]" 1
164 1 10 GLY HA3 1 11 ILE H . . 4.200 2.765 2.621 2.864 . 0 0 "[ . 1 ]" 1
165 1 11 ILE H 1 12 ILE H . . 3.400 2.078 1.912 2.206 . 0 0 "[ . 1 ]" 1
166 1 11 ILE H 1 25 ILE HG13 . . 4.200 4.307 4.265 4.355 0.155 4 0 "[ . 1 ]" 1
167 1 11 ILE HA 1 12 ILE H . . 5.000 3.547 3.491 3.572 . 0 0 "[ . 1 ]" 1
168 1 11 ILE HA 1 13 ASN H . . 5.500 5.224 4.236 5.604 0.104 5 0 "[ . 1 ]" 1
169 1 11 ILE HA 1 14 GLN HE21 . . 5.000 4.430 3.598 5.061 0.061 4 0 "[ . 1 ]" 1
170 1 11 ILE HA 1 14 GLN HG3 . . 5.500 4.785 4.264 5.364 . 0 0 "[ . 1 ]" 1
171 1 11 ILE HA 1 25 ILE HG13 . . 5.000 3.329 2.745 4.286 . 0 0 "[ . 1 ]" 1
172 1 11 ILE HB 1 25 ILE HG13 . . 4.200 3.337 2.743 4.416 0.216 9 0 "[ . 1 ]" 1
173 1 11 ILE HG12 1 12 ILE H . . 5.500 4.014 2.414 4.553 . 0 0 "[ . 1 ]" 1
174 1 11 ILE HG12 1 12 ILE MD . . 4.200 4.248 3.979 4.421 0.221 10 0 "[ . 1 ]" 1
175 1 11 ILE HG13 1 12 ILE H . . 5.000 2.976 2.038 3.309 . 0 0 "[ . 1 ]" 1
176 1 11 ILE HG13 1 12 ILE HA . . 5.000 3.316 3.093 3.833 . 0 0 "[ . 1 ]" 1
177 1 11 ILE HG13 1 12 ILE HB . . 4.200 4.324 4.091 4.409 0.209 3 0 "[ . 1 ]" 1
178 1 11 ILE HG13 1 12 ILE MD . . 4.200 3.246 3.011 3.496 . 0 0 "[ . 1 ]" 1
179 1 11 ILE HG13 1 12 ILE HG12 . . 3.400 2.762 2.525 3.260 . 0 0 "[ . 1 ]" 1
180 1 11 ILE MG 1 12 ILE H . . 4.200 2.304 1.691 3.760 . 0 0 "[ . 1 ]" 1
181 1 11 ILE MG 1 12 ILE HG12 . . 5.000 3.549 2.743 5.037 0.037 6 0 "[ . 1 ]" 1
182 1 11 ILE MG 1 13 ASN H . . 5.000 4.318 3.591 5.280 0.280 6 0 "[ . 1 ]" 1
183 1 11 ILE MG 1 25 ILE HG13 . . 4.200 3.394 1.785 4.242 0.042 5 0 "[ . 1 ]" 1
184 1 12 ILE H 1 13 ASN H . . 4.200 2.524 2.276 2.707 . 0 0 "[ . 1 ]" 1
185 1 12 ILE HA 1 13 ASN H . . 4.200 3.573 3.527 3.590 . 0 0 "[ . 1 ]" 1
186 1 12 ILE HB 1 13 ASN H . . 4.200 2.427 2.242 2.853 . 0 0 "[ . 1 ]" 1
187 1 12 ILE MD 1 13 ASN H . . 5.000 4.465 4.117 4.712 . 0 0 "[ . 1 ]" 1
188 1 12 ILE MD 1 13 ASN HB3 . . 5.000 5.202 5.042 5.273 0.273 4 0 "[ . 1 ]" 1
189 1 12 ILE HG12 1 13 ASN H . . 5.000 4.563 4.411 4.901 . 0 0 "[ . 1 ]" 1
190 1 12 ILE MG 1 13 ASN H . . 4.200 2.836 2.384 3.862 . 0 0 "[ . 1 ]" 1
191 1 12 ILE MG 1 13 ASN HA . . 5.000 3.660 3.350 4.511 . 0 0 "[ . 1 ]" 1
192 1 12 ILE MG 1 13 ASN HB2 . . 5.000 4.058 3.781 4.717 . 0 0 "[ . 1 ]" 1
193 1 12 ILE MG 1 13 ASN HB3 . . 4.200 2.546 2.228 3.193 . 0 0 "[ . 1 ]" 1
194 1 12 ILE MG 1 13 ASN HD21 . . 5.000 3.388 1.876 4.912 . 0 0 "[ . 1 ]" 1
195 1 12 ILE MG 1 13 ASN HD22 . . 5.000 4.351 3.406 5.039 0.039 8 0 "[ . 1 ]" 1
196 1 13 ASN HA 1 14 GLN H . . 3.400 2.154 2.130 2.208 . 0 0 "[ . 1 ]" 1
197 1 13 ASN HA 1 14 GLN HB2 . . 5.500 5.632 5.564 5.725 0.225 1 0 "[ . 1 ]" 1
198 1 13 ASN HA 1 14 GLN HB3 . . 5.500 4.755 4.381 5.033 . 0 0 "[ . 1 ]" 1
199 1 13 ASN HB3 1 14 GLN H . . 4.200 4.285 4.231 4.340 0.140 1 0 "[ . 1 ]" 1
200 1 14 GLN H 1 15 CYS H . . 4.200 2.115 1.677 2.891 . 0 0 "[ . 1 ]" 1
201 1 14 GLN HA 1 15 CYS H . . 4.200 3.545 3.480 3.591 . 0 0 "[ . 1 ]" 1
202 1 14 GLN HA 1 15 CYS HB2 . . 5.500 5.697 5.607 5.849 0.349 9 0 "[ . 1 ]" 1
203 1 14 GLN HB2 1 15 CYS H . . 5.000 3.474 2.472 4.049 . 0 0 "[ . 1 ]" 1
204 1 14 GLN HB3 1 15 CYS H . . 5.500 3.932 3.635 4.315 . 0 0 "[ . 1 ]" 1
205 1 14 GLN HG3 1 15 CYS H . . 5.500 3.012 1.898 3.966 . 0 0 "[ . 1 ]" 1
206 1 15 CYS H 1 16 CYS H . . 5.500 4.351 4.303 4.411 . 0 0 "[ . 1 ]" 1
207 1 15 CYS H 1 16 CYS HA . . 5.500 4.918 4.738 5.274 . 0 0 "[ . 1 ]" 1
208 1 15 CYS H 1 21 CYS HB2 . . 5.500 4.580 3.851 4.944 . 0 0 "[ . 1 ]" 1
209 1 15 CYS HA 1 16 CYS H . . 3.400 2.777 2.747 2.808 . 0 0 "[ . 1 ]" 1
210 1 15 CYS HB2 1 16 CYS H . . 4.200 3.072 2.975 3.253 . 0 0 "[ . 1 ]" 1
211 1 15 CYS HB2 1 29 CYS HB3 . . 4.200 4.169 3.908 4.280 0.080 3 0 "[ . 1 ]" 1
212 1 15 CYS HB3 1 19 TYR H . . 5.500 5.541 5.375 5.784 0.284 1 0 "[ . 1 ]" 1
213 1 15 CYS HB3 1 29 CYS HB3 . . 5.000 2.918 2.827 3.071 . 0 0 "[ . 1 ]" 1
214 1 16 CYS H 1 17 ASP H . . 5.000 4.374 4.290 4.480 . 0 0 "[ . 1 ]" 1
215 1 16 CYS H 1 19 TYR QD . . 5.500 4.146 3.709 4.863 . 0 0 "[ . 1 ]" 1
216 1 16 CYS HA 1 17 ASP H . . 3.400 2.192 2.139 2.335 . 0 0 "[ . 1 ]" 1
217 1 16 CYS HB2 1 17 ASP H . . 4.200 4.333 4.117 4.449 0.249 4 0 "[ . 1 ]" 1
218 1 16 CYS HB2 1 19 TYR QD . . 5.500 4.918 4.503 5.373 . 0 0 "[ . 1 ]" 1
219 1 16 CYS HB3 1 17 ASP H . . 4.200 3.674 3.175 3.881 . 0 0 "[ . 1 ]" 1
220 1 16 CYS HB3 1 19 TYR QD . . 5.000 3.489 3.121 3.826 . 0 0 "[ . 1 ]" 1
221 1 16 CYS HB3 1 19 TYR QE . . 5.500 5.017 4.554 5.501 0.001 2 0 "[ . 1 ]" 1
222 1 17 ASP QB 1 18 PRO HG2 . . 5.000 5.129 5.033 5.234 0.234 9 0 "[ . 1 ]" 1
223 1 17 ASP QB 1 18 PRO HG3 . . 5.500 5.137 5.046 5.242 . 0 0 "[ . 1 ]" 1
224 1 18 PRO HA 1 19 TYR H . . 3.400 3.443 3.405 3.501 0.101 9 0 "[ . 1 ]" 1
225 1 18 PRO HB2 1 19 TYR H . . 4.200 3.704 3.532 3.810 . 0 0 "[ . 1 ]" 1
226 1 18 PRO HB2 1 19 TYR QD . . 5.000 5.093 5.068 5.129 0.129 10 0 "[ . 1 ]" 1
227 1 18 PRO HD2 1 19 TYR H . . 5.000 2.746 2.658 2.816 . 0 0 "[ . 1 ]" 1
228 1 18 PRO HD2 1 19 TYR QD . . 5.000 3.174 2.927 3.381 . 0 0 "[ . 1 ]" 1
229 1 18 PRO HD3 1 19 TYR QD . . 5.500 4.726 4.541 4.896 . 0 0 "[ . 1 ]" 1
230 1 18 PRO HD3 1 19 TYR QE . . 5.000 4.502 4.365 4.648 . 0 0 "[ . 1 ]" 1
231 1 18 PRO HG3 1 19 TYR H . . 5.500 4.247 4.053 4.375 . 0 0 "[ . 1 ]" 1
232 1 18 PRO HG3 1 19 TYR QE . . 5.500 4.790 4.634 4.918 . 0 0 "[ . 1 ]" 1
233 1 19 TYR HA 1 20 TYR H . . 3.400 2.428 2.360 2.541 . 0 0 "[ . 1 ]" 1
234 1 19 TYR HA 1 20 TYR QD . . 5.000 3.890 3.798 3.980 . 0 0 "[ . 1 ]" 1
235 1 19 TYR HA 1 29 CYS HB3 . . 5.500 4.558 4.340 4.923 . 0 0 "[ . 1 ]" 1
236 1 19 TYR HA 1 30 ILE H . . 5.500 3.778 3.546 4.220 . 0 0 "[ . 1 ]" 1
237 1 19 TYR HB2 1 20 TYR H . . 3.400 3.299 3.049 3.459 0.059 2 0 "[ . 1 ]" 1
238 1 19 TYR HB2 1 29 CYS HB3 . . 4.200 2.827 2.336 3.327 . 0 0 "[ . 1 ]" 1
239 1 19 TYR HB2 1 30 ILE H . . 5.000 4.445 4.221 4.619 . 0 0 "[ . 1 ]" 1
240 1 19 TYR HB2 1 30 ILE HA . . 5.500 5.328 5.036 5.653 0.153 4 0 "[ . 1 ]" 1
241 1 19 TYR HB3 1 20 TYR H . . 4.200 2.440 2.260 2.586 . 0 0 "[ . 1 ]" 1
242 1 19 TYR HB3 1 30 ILE H . . 5.500 2.931 2.660 3.188 . 0 0 "[ . 1 ]" 1
243 1 19 TYR QD 1 20 TYR H . . 5.000 4.135 4.058 4.213 . 0 0 "[ . 1 ]" 1
244 1 19 TYR QD 1 29 CYS HB3 . . 5.000 4.063 3.673 4.762 . 0 0 "[ . 1 ]" 1
245 1 19 TYR QD 1 30 ILE H . . 5.500 4.067 3.807 4.503 . 0 0 "[ . 1 ]" 1
246 1 19 TYR QD 1 30 ILE HA . . 5.500 2.714 2.106 3.622 . 0 0 "[ . 1 ]" 1
247 1 19 TYR QD 1 30 ILE MD . . 5.000 4.348 3.828 5.040 0.040 1 0 "[ . 1 ]" 1
248 1 20 TYR H 1 29 CYS HB3 . . 5.500 3.459 2.891 3.782 . 0 0 "[ . 1 ]" 1
249 1 20 TYR H 1 30 ILE H . . 4.200 2.244 1.802 2.781 . 0 0 "[ . 1 ]" 1
250 1 20 TYR H 1 30 ILE MD . . 5.500 5.321 5.027 5.510 0.010 8 0 "[ . 1 ]" 1
251 1 20 TYR H 1 30 ILE QG . . 5.500 4.686 4.400 4.999 . 0 0 "[ . 1 ]" 1
252 1 20 TYR HA 1 21 CYS H . . 3.400 2.710 2.226 2.934 . 0 0 "[ . 1 ]" 1
253 1 20 TYR HA 1 21 CYS HB2 . . 5.000 3.926 3.778 4.310 . 0 0 "[ . 1 ]" 1
254 1 20 TYR HA 1 29 CYS HB3 . . 5.500 4.350 3.136 5.073 . 0 0 "[ . 1 ]" 1
255 1 20 TYR HB2 1 21 CYS H . . 4.200 3.968 2.886 4.383 0.183 10 0 "[ . 1 ]" 1
256 1 20 TYR QD 1 21 CYS H . . 5.500 3.538 3.246 4.187 . 0 0 "[ . 1 ]" 1
257 1 20 TYR QD 1 22 SER HA . . 5.500 5.130 4.895 5.293 . 0 0 "[ . 1 ]" 1
258 1 20 TYR QD 1 22 SER HB2 . . 5.000 3.679 2.825 4.515 . 0 0 "[ . 1 ]" 1
259 1 20 TYR QD 1 22 SER HB3 . . 5.000 4.072 2.791 4.998 . 0 0 "[ . 1 ]" 1
260 1 20 TYR QD 1 30 ILE H . . 5.500 3.569 3.467 3.684 . 0 0 "[ . 1 ]" 1
261 1 20 TYR QD 1 30 ILE QG . . 5.500 4.801 4.316 5.030 . 0 0 "[ . 1 ]" 1
262 1 20 TYR QE 1 22 SER HB2 . . 5.000 3.705 3.268 4.576 . 0 0 "[ . 1 ]" 1
263 1 20 TYR QE 1 22 SER HB3 . . 5.000 3.972 3.126 4.535 . 0 0 "[ . 1 ]" 1
264 1 20 TYR QE 1 30 ILE H . . 5.500 4.673 4.475 5.014 . 0 0 "[ . 1 ]" 1
265 1 20 TYR QE 1 30 ILE QG . . 5.000 5.002 4.713 5.077 0.077 10 0 "[ . 1 ]" 1
266 1 20 TYR QE 1 30 ILE MG . . 4.200 4.366 4.303 4.422 0.222 6 0 "[ . 1 ]" 1
267 1 21 CYS H 1 29 CYS HB2 . . 5.000 4.627 4.296 5.295 0.295 4 0 "[ . 1 ]" 1
268 1 21 CYS H 1 29 CYS HB3 . . 5.000 3.299 2.992 3.969 . 0 0 "[ . 1 ]" 1
269 1 21 CYS H 1 30 ILE H . . 5.500 2.826 2.205 4.377 . 0 0 "[ . 1 ]" 1
270 1 21 CYS HA 1 22 SER H . . 3.400 2.210 2.171 2.246 . 0 0 "[ . 1 ]" 1
271 1 21 CYS HA 1 22 SER HB3 . . 5.500 4.865 4.017 5.363 . 0 0 "[ . 1 ]" 1
272 1 21 CYS HA 1 28 HIS H . . 5.500 4.274 3.947 4.927 . 0 0 "[ . 1 ]" 1
273 1 21 CYS HA 1 28 HIS HA . . 5.500 4.260 3.876 4.806 . 0 0 "[ . 1 ]" 1
274 1 21 CYS HA 1 29 CYS HA . . 5.500 1.821 1.725 1.892 . 0 0 "[ . 1 ]" 1
275 1 21 CYS HA 1 30 ILE H . . 5.000 3.101 2.729 3.771 . 0 0 "[ . 1 ]" 1
276 1 21 CYS HB2 1 22 SER H . . 5.000 4.325 4.255 4.403 . 0 0 "[ . 1 ]" 1
277 1 21 CYS HB3 1 22 SER H . . 5.000 3.332 3.120 3.521 . 0 0 "[ . 1 ]" 1
278 1 22 SER H 1 27 GLY HA3 . . 5.000 4.075 3.728 4.703 . 0 0 "[ . 1 ]" 1
279 1 22 SER H 1 28 HIS H . . 4.200 3.018 2.746 3.513 . 0 0 "[ . 1 ]" 1
280 1 22 SER H 1 29 CYS HA . . 5.000 3.541 2.999 3.669 . 0 0 "[ . 1 ]" 1
281 1 22 SER H 1 30 ILE H . . 5.000 4.011 3.317 4.726 . 0 0 "[ . 1 ]" 1
282 1 22 SER H 1 30 ILE MD . . 4.200 4.135 3.890 4.253 0.053 4 0 "[ . 1 ]" 1
283 1 22 SER H 1 30 ILE QG . . 5.000 2.940 2.675 3.420 . 0 0 "[ . 1 ]" 1
284 1 22 SER HA 1 23 PRO HA . . 4.200 2.655 2.622 2.720 . 0 0 "[ . 1 ]" 1
285 1 22 SER HA 1 23 PRO HB2 . . 5.000 4.604 4.578 4.656 . 0 0 "[ . 1 ]" 1
286 1 22 SER HA 1 23 PRO HD2 . . 5.000 4.411 4.409 4.415 . 0 0 "[ . 1 ]" 1
287 1 22 SER HA 1 23 PRO HG3 . . 5.500 5.693 5.676 5.728 0.228 10 0 "[ . 1 ]" 1
288 1 22 SER HB2 1 30 ILE QG . . 5.000 3.249 2.735 4.173 . 0 0 "[ . 1 ]" 1
289 1 22 SER HB2 1 30 ILE MG . . 5.000 4.394 3.866 5.127 0.127 2 0 "[ . 1 ]" 1
290 1 22 SER HB3 1 30 ILE H . . 5.500 4.479 3.357 5.489 . 0 0 "[ . 1 ]" 1
291 1 22 SER HB3 1 30 ILE QG . . 5.000 2.973 2.601 3.915 . 0 0 "[ . 1 ]" 1
292 1 22 SER HB3 1 30 ILE MG . . 5.000 4.106 3.719 5.081 0.081 4 0 "[ . 1 ]" 1
293 1 23 PRO HD2 1 24 PRO HB3 . . 5.000 4.918 4.900 4.928 . 0 0 "[ . 1 ]" 1
294 1 23 PRO HD2 1 24 PRO HG2 . . 4.200 3.710 3.698 3.732 . 0 0 "[ . 1 ]" 1
295 1 23 PRO HD2 1 24 PRO HG3 . . 4.200 3.426 3.420 3.431 . 0 0 "[ . 1 ]" 1
296 1 24 PRO HA 1 25 ILE H . . 4.200 2.841 2.752 3.491 . 0 0 "[ . 1 ]" 1
297 1 24 PRO HA 1 26 TYR H . . 5.500 4.730 4.639 5.082 . 0 0 "[ . 1 ]" 1
298 1 24 PRO HB2 1 25 ILE H . . 5.000 1.864 1.817 1.914 . 0 0 "[ . 1 ]" 1
299 1 24 PRO HB3 1 25 ILE H . . 4.200 3.160 3.135 3.316 . 0 0 "[ . 1 ]" 1
300 1 24 PRO QD 1 25 ILE H . . 5.000 4.595 3.456 4.732 . 0 0 "[ . 1 ]" 1
301 1 24 PRO QD 1 27 GLY HA2 . . 5.000 5.154 5.078 5.470 0.470 10 0 "[ . 1 ]" 1
302 1 24 PRO QD 1 27 GLY HA3 . . 4.200 3.630 3.573 3.918 . 0 0 "[ . 1 ]" 1
303 1 24 PRO HG2 1 25 ILE H . . 5.500 3.572 1.817 3.798 . 0 0 "[ . 1 ]" 1
304 1 24 PRO HG2 1 26 TYR H . . 5.500 3.566 2.891 3.721 . 0 0 "[ . 1 ]" 1
305 1 24 PRO HG2 1 27 GLY HA2 . . 5.500 3.980 3.849 4.769 . 0 0 "[ . 1 ]" 1
306 1 24 PRO HG3 1 25 ILE H . . 5.000 4.370 3.265 4.522 . 0 0 "[ . 1 ]" 1
307 1 25 ILE H 1 25 ILE HG13 . . 5.000 4.682 4.587 4.974 . 0 0 "[ . 1 ]" 1
308 1 25 ILE H 1 26 TYR H . . 4.200 2.167 1.799 2.287 . 0 0 "[ . 1 ]" 1
309 1 25 ILE HA 1 26 TYR H . . 4.200 3.538 3.524 3.554 . 0 0 "[ . 1 ]" 1
310 1 25 ILE HB 1 26 TYR H . . 4.200 3.962 3.909 4.002 . 0 0 "[ . 1 ]" 1
311 1 25 ILE HB 1 26 TYR HB2 . . 5.500 5.692 5.550 6.007 0.507 6 1 "[ .+ 1 ]" 1
312 1 25 ILE HB 1 26 TYR QD . . 5.000 4.306 4.160 4.837 . 0 0 "[ . 1 ]" 1
313 1 25 ILE MD 1 26 TYR H . . 5.000 4.335 4.230 4.429 . 0 0 "[ . 1 ]" 1
314 1 25 ILE MD 1 26 TYR QD . . 5.000 2.770 2.492 3.433 . 0 0 "[ . 1 ]" 1
315 1 25 ILE MD 1 26 TYR QE . . 5.000 2.273 2.083 2.362 . 0 0 "[ . 1 ]" 1
316 1 25 ILE HG12 1 26 TYR H . . 5.500 3.905 3.795 4.021 . 0 0 "[ . 1 ]" 1
317 1 25 ILE HG13 1 26 TYR H . . 5.500 4.953 4.873 5.052 . 0 0 "[ . 1 ]" 1
318 1 25 ILE MG 1 26 TYR H . . 5.500 2.025 1.938 2.093 . 0 0 "[ . 1 ]" 1
319 1 25 ILE MG 1 26 TYR QE . . 5.000 3.440 3.130 3.576 . 0 0 "[ . 1 ]" 1
320 1 26 TYR H 1 27 GLY H . . 4.200 3.681 3.420 3.847 . 0 0 "[ . 1 ]" 1
321 1 26 TYR H 1 27 GLY HA3 . . 5.500 4.723 4.547 4.829 . 0 0 "[ . 1 ]" 1
322 1 26 TYR HA 1 27 GLY H . . 4.200 2.373 2.277 2.492 . 0 0 "[ . 1 ]" 1
323 1 26 TYR HB2 1 27 GLY H . . 5.000 4.578 4.481 4.605 . 0 0 "[ . 1 ]" 1
324 1 26 TYR HB3 1 27 GLY H . . 5.000 4.194 4.069 4.293 . 0 0 "[ . 1 ]" 1
325 1 26 TYR QD 1 27 GLY H . . 5.000 4.338 4.102 4.548 . 0 0 "[ . 1 ]" 1
326 1 27 GLY H 1 28 HIS H . . 4.200 3.705 3.517 3.794 . 0 0 "[ . 1 ]" 1
327 1 27 GLY HA2 1 28 HIS H . . 4.200 3.280 3.235 3.369 . 0 0 "[ . 1 ]" 1
328 1 27 GLY HA2 1 28 HIS HA . . 5.500 4.507 4.476 4.529 . 0 0 "[ . 1 ]" 1
329 1 27 GLY HA3 1 28 HIS H . . 3.400 2.137 2.133 2.152 . 0 0 "[ . 1 ]" 1
330 1 27 GLY HA3 1 28 HIS HA . . 5.500 4.409 4.404 4.412 . 0 0 "[ . 1 ]" 1
331 1 28 HIS H 1 30 ILE MD . . 5.500 4.237 4.021 4.434 . 0 0 "[ . 1 ]" 1
332 1 28 HIS HA 1 29 CYS H . . 3.400 2.301 2.241 2.621 . 0 0 "[ . 1 ]" 1
333 1 28 HIS HA 1 29 CYS HB2 . . 5.500 4.779 4.636 4.942 . 0 0 "[ . 1 ]" 1
334 1 28 HIS HB2 1 29 CYS H . . 4.200 3.990 3.441 4.183 . 0 0 "[ . 1 ]" 1
335 1 28 HIS HB2 1 30 ILE MD . . 5.000 3.002 2.756 3.394 . 0 0 "[ . 1 ]" 1
336 1 28 HIS HB3 1 29 CYS H . . 3.400 2.715 1.953 2.945 . 0 0 "[ . 1 ]" 1
337 1 29 CYS H 1 30 ILE H . . 5.000 4.569 4.401 4.662 . 0 0 "[ . 1 ]" 1
338 1 29 CYS H 1 30 ILE MD . . 5.000 3.842 3.047 4.430 . 0 0 "[ . 1 ]" 1
339 1 29 CYS HA 1 30 ILE H . . 3.400 2.164 2.130 2.250 . 0 0 "[ . 1 ]" 1
340 1 29 CYS HB2 1 30 ILE H . . 5.000 4.137 3.739 4.354 . 0 0 "[ . 1 ]" 1
341 1 29 CYS HB3 1 30 ILE H . . 5.000 3.219 2.826 3.452 . 0 0 "[ . 1 ]" 1
stop_
save_