NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408882 |
1z2q   |
6594 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z2q
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 537
_Distance_constraint_stats_list.Viol_count 1451
_Distance_constraint_stats_list.Viol_total 2072.900
_Distance_constraint_stats_list.Viol_max 0.371
_Distance_constraint_stats_list.Viol_rms 0.0287
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0680
_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 8 GLU 4.460 0.371 21 0 "[ . 1 . 2 ]"
1 10 GLN 4.460 0.371 21 0 "[ . 1 . 2 ]"
1 14 TYR 2.224 0.098 17 0 "[ . 1 . 2 ]"
1 15 TRP 2.403 0.098 17 0 "[ . 1 . 2 ]"
1 16 GLN 0.515 0.044 6 0 "[ . 1 . 2 ]"
1 17 GLU 1.248 0.261 21 0 "[ . 1 . 2 ]"
1 18 ASP 2.021 0.157 15 0 "[ . 1 . 2 ]"
1 19 GLU 4.065 0.157 15 0 "[ . 1 . 2 ]"
1 20 ASP 2.243 0.090 15 0 "[ . 1 . 2 ]"
1 21 ALA 0.001 0.001 10 0 "[ . 1 . 2 ]"
1 22 PRO 2.357 0.162 14 0 "[ . 1 . 2 ]"
1 23 ALA 2.609 0.162 14 0 "[ . 1 . 2 ]"
1 24 CYS 1.368 0.097 17 0 "[ . 1 . 2 ]"
1 25 ASN 0.922 0.074 14 0 "[ . 1 . 2 ]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 GLY 0.058 0.030 20 0 "[ . 1 . 2 ]"
1 29 CYS 1.202 0.085 7 0 "[ . 1 . 2 ]"
1 30 VAL 4.722 0.176 7 0 "[ . 1 . 2 ]"
1 31 PHE 3.524 0.176 7 0 "[ . 1 . 2 ]"
1 32 THR 0.353 0.046 10 0 "[ . 1 . 2 ]"
1 35 VAL 6.941 0.160 5 0 "[ . 1 . 2 ]"
1 36 ARG 4.693 0.160 5 0 "[ . 1 . 2 ]"
1 37 ARG 0.838 0.162 14 0 "[ . 1 . 2 ]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 HIS 0.014 0.014 19 0 "[ . 1 . 2 ]"
1 40 CYS 5.555 0.292 21 0 "[ . 1 . 2 ]"
1 41 ARG 2.246 0.145 21 0 "[ . 1 . 2 ]"
1 42 ASN 4.341 0.304 21 0 "[ . 1 . 2 ]"
1 43 CYS 0.007 0.007 5 0 "[ . 1 . 2 ]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 TYR 2.317 0.292 21 0 "[ . 1 . 2 ]"
1 46 VAL 5.293 0.261 21 0 "[ . 1 . 2 ]"
1 47 LEU 10.710 0.247 21 0 "[ . 1 . 2 ]"
1 48 CYS 3.652 0.213 21 0 "[ . 1 . 2 ]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 ASP 4.387 0.157 1 0 "[ . 1 . 2 ]"
1 51 CYS 4.471 0.247 21 0 "[ . 1 . 2 ]"
1 52 SER 0.503 0.115 21 0 "[ . 1 . 2 ]"
1 53 ARG 2.116 0.157 1 0 "[ . 1 . 2 ]"
1 54 HIS 5.605 0.170 12 0 "[ . 1 . 2 ]"
1 55 ARG 5.234 0.188 16 0 "[ . 1 . 2 ]"
1 56 ALA 0.100 0.043 16 0 "[ . 1 . 2 ]"
1 57 ALA 0.186 0.045 13 0 "[ . 1 . 2 ]"
1 58 ILE 3.857 0.144 1 0 "[ . 1 . 2 ]"
1 59 PRO 4.765 0.185 5 0 "[ . 1 . 2 ]"
1 60 MET 0.004 0.004 21 0 "[ . 1 . 2 ]"
1 61 ARG 7.193 0.185 5 0 "[ . 1 . 2 ]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 ILE 7.181 0.190 13 0 "[ . 1 . 2 ]"
1 64 THR 1.663 0.115 11 0 "[ . 1 . 2 ]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 PRO 0.205 0.081 21 0 "[ . 1 . 2 ]"
1 67 GLU 3.829 0.190 13 0 "[ . 1 . 2 ]"
1 68 ARG 3.539 0.188 16 0 "[ . 1 . 2 ]"
1 69 VAL 12.756 0.304 21 0 "[ . 1 . 2 ]"
1 70 CYS 2.865 0.124 18 0 "[ . 1 . 2 ]"
1 71 ASP 7.260 0.250 21 0 "[ . 1 . 2 ]"
1 72 ALA 1.997 0.058 1 0 "[ . 1 . 2 ]"
1 73 CYS 3.230 0.226 21 0 "[ . 1 . 2 ]"
1 74 TYR 1.142 0.075 18 0 "[ . 1 . 2 ]"
1 75 LEU 8.303 0.260 21 0 "[ . 1 . 2 ]"
1 76 ALA 5.712 0.260 21 0 "[ . 1 . 2 ]"
1 77 LEU 7.531 0.152 5 0 "[ . 1 . 2 ]"
1 78 ARG 4.421 0.185 1 0 "[ . 1 . 2 ]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
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 8 GLU HA 1 10 GLN H 2.350 . 2.900 2.973 2.876 3.271 0.371 21 0 "[ . 1 . 2 ]" 1
2 1 8 GLU HA 1 10 GLN HB3 2.550 . 3.300 3.437 3.374 3.532 0.232 21 0 "[ . 1 . 2 ]" 1
3 1 14 TYR HA 1 15 TRP H 2.350 . 2.900 2.133 2.118 2.146 . 0 0 "[ . 1 . 2 ]" 1
4 1 14 TYR HB2 1 15 TRP H 3.000 . 4.200 4.271 4.213 4.298 0.098 17 0 "[ . 1 . 2 ]" 1
5 1 14 TYR HB3 1 15 TRP H 3.000 . 4.200 4.235 4.205 4.271 0.071 21 0 "[ . 1 . 2 ]" 1
6 1 14 TYR HB3 1 16 GLN H 3.900 . 6.000 5.524 5.431 5.794 . 0 0 "[ . 1 . 2 ]" 1
7 1 14 TYR QD 1 15 TRP H 3.900 . 6.000 3.688 3.647 3.723 . 0 0 "[ . 1 . 2 ]" 1
8 1 14 TYR QD 1 16 GLN HB2 3.900 . 6.000 3.501 3.342 3.709 . 0 0 "[ . 1 . 2 ]" 1
9 1 14 TYR QD 1 44 GLY QA 3.900 . 6.000 4.712 4.258 5.103 . 0 0 "[ . 1 . 2 ]" 1
10 1 14 TYR QD 1 45 TYR QD 3.900 . 6.000 4.258 3.960 5.462 . 0 0 "[ . 1 . 2 ]" 1
11 1 14 TYR QD 1 45 TYR QE 3.900 . 6.000 3.988 3.568 5.089 . 0 0 "[ . 1 . 2 ]" 1
12 1 14 TYR QE 1 16 GLN HB2 3.900 . 6.000 3.512 3.114 4.116 . 0 0 "[ . 1 . 2 ]" 1
13 1 14 TYR QE 1 16 GLN HB3 3.900 . 6.000 4.976 4.668 5.314 . 0 0 "[ . 1 . 2 ]" 1
14 1 14 TYR QE 1 16 GLN QG 3.900 . 6.000 3.464 3.295 4.351 . 0 0 "[ . 1 . 2 ]" 1
15 1 15 TRP H 1 16 GLN H 3.400 . 5.000 4.421 4.394 4.502 . 0 0 "[ . 1 . 2 ]" 1
16 1 15 TRP HA 1 16 GLN H 2.350 . 2.900 2.144 2.126 2.153 . 0 0 "[ . 1 . 2 ]" 1
17 1 15 TRP HA 1 44 GLY QA 3.000 . 4.200 3.393 3.037 4.063 . 0 0 "[ . 1 . 2 ]" 1
18 1 15 TRP HB2 1 16 GLN H 2.650 . 3.500 3.500 3.400 3.544 0.044 6 0 "[ . 1 . 2 ]" 1
19 1 16 GLN HA 1 17 GLU H 2.350 . 2.900 2.103 2.083 2.135 . 0 0 "[ . 1 . 2 ]" 1
20 1 16 GLN HB2 1 45 TYR HA 2.550 . 3.300 3.216 2.399 3.343 0.043 17 0 "[ . 1 . 2 ]" 1
21 1 16 GLN HB2 1 46 VAL MG2 3.400 . 5.000 3.889 3.364 4.367 . 0 0 "[ . 1 . 2 ]" 1
22 1 16 GLN HB3 1 17 GLU H 3.400 . 5.000 4.123 4.067 4.167 . 0 0 "[ . 1 . 2 ]" 1
23 1 16 GLN HB3 1 45 TYR HA 3.000 . 4.200 3.005 2.472 3.472 . 0 0 "[ . 1 . 2 ]" 1
24 1 16 GLN HB3 1 46 VAL H 3.900 . 6.000 2.955 2.508 3.114 . 0 0 "[ . 1 . 2 ]" 1
25 1 16 GLN HB3 1 46 VAL MG1 3.900 . 6.000 5.025 4.649 5.521 . 0 0 "[ . 1 . 2 ]" 1
26 1 16 GLN HB3 1 46 VAL MG2 2.550 . 3.300 2.362 1.933 2.796 . 0 0 "[ . 1 . 2 ]" 1
27 1 16 GLN HE21 1 46 VAL H 3.900 . 6.000 5.974 5.850 6.033 0.033 15 0 "[ . 1 . 2 ]" 1
28 1 16 GLN QG 1 17 GLU H 3.400 . 5.000 2.749 2.644 2.926 . 0 0 "[ . 1 . 2 ]" 1
29 1 16 GLN QG 1 20 ASP HB2 3.000 . 4.200 2.384 2.180 2.790 . 0 0 "[ . 1 . 2 ]" 1
30 1 16 GLN QG 1 20 ASP HB3 3.400 . 5.000 2.974 2.653 3.668 . 0 0 "[ . 1 . 2 ]" 1
31 1 16 GLN QG 1 21 ALA MB 3.400 . 5.000 2.176 1.934 2.805 . 0 0 "[ . 1 . 2 ]" 1
32 1 16 GLN QG 1 46 VAL MG1 3.900 . 6.000 5.399 4.944 5.784 . 0 0 "[ . 1 . 2 ]" 1
33 1 16 GLN QG 1 46 VAL MG2 3.000 . 4.200 3.206 2.846 3.538 . 0 0 "[ . 1 . 2 ]" 1
34 1 17 GLU HA 1 18 ASP H 2.350 . 2.900 2.269 2.240 2.354 . 0 0 "[ . 1 . 2 ]" 1
35 1 17 GLU HA 1 46 VAL MG2 3.000 . 4.200 4.249 4.186 4.461 0.261 21 0 "[ . 1 . 2 ]" 1
36 1 17 GLU HB2 1 18 ASP H 3.400 . 5.000 3.800 3.761 3.890 . 0 0 "[ . 1 . 2 ]" 1
37 1 17 GLU HB2 1 20 ASP H 3.400 . 5.000 2.598 2.496 2.812 . 0 0 "[ . 1 . 2 ]" 1
38 1 17 GLU HB3 1 18 ASP H 3.000 . 4.200 2.613 2.476 2.753 . 0 0 "[ . 1 . 2 ]" 1
39 1 17 GLU QG 1 18 ASP H 3.000 . 4.200 3.883 3.578 4.278 0.078 7 0 "[ . 1 . 2 ]" 1
40 1 18 ASP HA 1 19 GLU H 2.650 . 3.500 3.543 3.535 3.553 0.053 21 0 "[ . 1 . 2 ]" 1
41 1 18 ASP HA 1 21 ALA MB 3.000 . 4.200 3.527 3.206 3.882 . 0 0 "[ . 1 . 2 ]" 1
42 1 18 ASP HB2 1 19 GLU H 2.650 . 3.500 3.043 2.223 3.657 0.157 15 0 "[ . 1 . 2 ]" 1
43 1 18 ASP HB3 1 19 GLU H 3.000 . 4.200 3.278 2.216 3.901 . 0 0 "[ . 1 . 2 ]" 1
44 1 19 GLU H 1 20 ASP H 2.650 . 3.500 2.705 2.685 2.748 . 0 0 "[ . 1 . 2 ]" 1
45 1 19 GLU HA 1 20 ASP H 2.650 . 3.500 3.542 3.534 3.555 0.055 2 0 "[ . 1 . 2 ]" 1
46 1 19 GLU HA 1 21 ALA H 3.900 . 6.000 4.217 4.003 4.281 . 0 0 "[ . 1 . 2 ]" 1
47 1 19 GLU HB2 1 20 ASP H 2.650 . 3.500 2.635 2.591 2.675 . 0 0 "[ . 1 . 2 ]" 1
48 1 19 GLU HB3 1 20 ASP H 2.650 . 3.500 3.565 3.527 3.590 0.090 15 0 "[ . 1 . 2 ]" 1
49 1 19 GLU QG 1 20 ASP H 3.900 . 6.000 4.139 4.112 4.180 . 0 0 "[ . 1 . 2 ]" 1
50 1 20 ASP H 1 21 ALA H 2.350 . 2.900 2.523 2.432 2.671 . 0 0 "[ . 1 . 2 ]" 1
51 1 20 ASP HB2 1 21 ALA H 3.400 . 5.000 2.825 2.761 2.961 . 0 0 "[ . 1 . 2 ]" 1
52 1 20 ASP HB3 1 21 ALA H 3.000 . 4.200 3.772 3.700 3.872 . 0 0 "[ . 1 . 2 ]" 1
53 1 21 ALA H 1 46 VAL MG2 3.900 . 6.000 3.936 3.718 4.241 . 0 0 "[ . 1 . 2 ]" 1
54 1 21 ALA HA 1 23 ALA H 3.000 . 4.200 3.155 3.105 3.266 . 0 0 "[ . 1 . 2 ]" 1
55 1 21 ALA MB 1 23 ALA H 3.000 . 4.200 3.631 3.346 3.766 . 0 0 "[ . 1 . 2 ]" 1
56 1 21 ALA MB 1 31 PHE QE 3.900 . 6.000 3.340 3.069 3.790 . 0 0 "[ . 1 . 2 ]" 1
57 1 21 ALA MB 1 46 VAL H 3.400 . 5.000 3.246 3.092 3.517 . 0 0 "[ . 1 . 2 ]" 1
58 1 21 ALA MB 1 46 VAL HA 3.900 . 6.000 4.489 4.335 4.776 . 0 0 "[ . 1 . 2 ]" 1
59 1 21 ALA MB 1 46 VAL HB 2.250 . 2.700 2.173 2.042 2.490 . 0 0 "[ . 1 . 2 ]" 1
60 1 21 ALA MB 1 46 VAL MG1 3.000 . 4.200 2.885 2.530 3.510 . 0 0 "[ . 1 . 2 ]" 1
61 1 21 ALA MB 1 46 VAL MG2 3.000 . 4.200 2.005 1.799 2.482 0.001 10 0 "[ . 1 . 2 ]" 1
62 1 22 PRO HA 1 23 ALA H 2.650 . 3.500 3.403 3.374 3.469 . 0 0 "[ . 1 . 2 ]" 1
63 1 22 PRO HA 1 31 PHE QD 3.900 . 6.000 3.191 3.016 3.587 . 0 0 "[ . 1 . 2 ]" 1
64 1 22 PRO HB3 1 23 ALA H 3.000 . 4.200 4.312 4.279 4.362 0.162 14 0 "[ . 1 . 2 ]" 1
65 1 22 PRO HD2 1 23 ALA H 3.000 . 4.200 2.623 2.521 2.714 . 0 0 "[ . 1 . 2 ]" 1
66 1 22 PRO HD3 1 23 ALA H 3.900 . 6.000 3.805 3.713 3.859 . 0 0 "[ . 1 . 2 ]" 1
67 1 22 PRO QG 1 23 ALA H 3.000 . 4.200 2.883 2.640 3.992 . 0 0 "[ . 1 . 2 ]" 1
68 1 23 ALA H 1 24 CYS H 3.400 . 5.000 4.434 4.419 4.443 . 0 0 "[ . 1 . 2 ]" 1
69 1 23 ALA H 1 31 PHE QD 3.900 . 6.000 3.487 3.301 3.655 . 0 0 "[ . 1 . 2 ]" 1
70 1 23 ALA HA 1 24 CYS H 2.350 . 2.900 2.351 2.267 2.378 . 0 0 "[ . 1 . 2 ]" 1
71 1 23 ALA HA 1 30 VAL HA 2.250 . 2.700 2.177 1.881 2.335 . 0 0 "[ . 1 . 2 ]" 1
72 1 23 ALA HA 1 30 VAL HB 3.900 . 6.000 4.997 3.820 5.267 . 0 0 "[ . 1 . 2 ]" 1
73 1 23 ALA HA 1 30 VAL QG 2.550 . 3.300 3.218 3.122 3.404 0.104 20 0 "[ . 1 . 2 ]" 1
74 1 23 ALA HA 1 31 PHE H 2.650 . 3.500 2.762 2.450 3.041 . 0 0 "[ . 1 . 2 ]" 1
75 1 23 ALA HA 1 31 PHE QD 3.900 . 6.000 2.716 2.357 2.866 . 0 0 "[ . 1 . 2 ]" 1
76 1 23 ALA MB 1 24 CYS H 2.350 . 2.900 2.641 2.538 2.734 . 0 0 "[ . 1 . 2 ]" 1
77 1 23 ALA MB 1 28 GLY QA 2.550 . 3.300 2.702 2.471 3.111 . 0 0 "[ . 1 . 2 ]" 1
78 1 23 ALA MB 1 29 CYS H 3.900 . 6.000 4.101 3.934 4.465 . 0 0 "[ . 1 . 2 ]" 1
79 1 23 ALA MB 1 30 VAL H 3.400 . 5.000 3.961 3.769 4.106 . 0 0 "[ . 1 . 2 ]" 1
80 1 23 ALA MB 1 30 VAL HA 2.250 . 2.700 2.524 2.140 2.707 0.007 21 0 "[ . 1 . 2 ]" 1
81 1 24 CYS H 1 29 CYS H 3.000 . 4.200 3.210 2.966 3.632 . 0 0 "[ . 1 . 2 ]" 1
82 1 24 CYS HA 1 25 ASN H 2.350 . 2.900 2.113 2.098 2.136 . 0 0 "[ . 1 . 2 ]" 1
83 1 24 CYS HA 1 31 PHE QE 3.400 . 5.000 2.542 2.106 2.837 . 0 0 "[ . 1 . 2 ]" 1
84 1 24 CYS HA 1 31 PHE HZ 2.550 . 3.300 2.336 2.003 2.784 . 0 0 "[ . 1 . 2 ]" 1
85 1 24 CYS HA 1 46 VAL MG1 3.400 . 5.000 3.729 3.514 4.019 . 0 0 "[ . 1 . 2 ]" 1
86 1 24 CYS HA 1 47 LEU HA 2.550 . 3.300 3.362 3.335 3.397 0.097 17 0 "[ . 1 . 2 ]" 1
87 1 24 CYS HA 1 47 LEU MD1 3.900 . 6.000 3.867 3.481 4.012 . 0 0 "[ . 1 . 2 ]" 1
88 1 24 CYS HA 1 47 LEU MD2 3.400 . 5.000 4.590 4.454 4.724 . 0 0 "[ . 1 . 2 ]" 1
89 1 24 CYS HB2 1 26 GLY H 3.400 . 5.000 4.535 4.463 4.606 . 0 0 "[ . 1 . 2 ]" 1
90 1 24 CYS HB2 1 28 GLY H 3.000 . 4.200 4.027 3.541 4.230 0.030 20 0 "[ . 1 . 2 ]" 1
91 1 24 CYS HB2 1 29 CYS H 3.000 . 4.200 3.028 2.319 3.361 . 0 0 "[ . 1 . 2 ]" 1
92 1 24 CYS HB3 1 26 GLY H 3.000 . 4.200 3.477 3.089 3.630 . 0 0 "[ . 1 . 2 ]" 1
93 1 24 CYS HB3 1 27 CYS H 2.650 . 3.500 2.501 2.084 2.900 . 0 0 "[ . 1 . 2 ]" 1
94 1 24 CYS HB3 1 28 GLY H 3.000 . 4.200 2.337 2.016 2.501 . 0 0 "[ . 1 . 2 ]" 1
95 1 24 CYS HB3 1 28 GLY QA 3.000 . 4.200 3.478 3.360 3.593 . 0 0 "[ . 1 . 2 ]" 1
96 1 24 CYS HB3 1 29 CYS H 2.650 . 3.500 2.158 2.014 2.389 . 0 0 "[ . 1 . 2 ]" 1
97 1 25 ASN H 1 26 GLY H 3.000 . 4.200 2.645 2.565 2.676 . 0 0 "[ . 1 . 2 ]" 1
98 1 25 ASN H 1 47 LEU HA 3.000 . 4.200 3.675 3.528 3.827 . 0 0 "[ . 1 . 2 ]" 1
99 1 25 ASN H 1 47 LEU MD1 2.650 . 3.500 3.292 2.860 3.415 . 0 0 "[ . 1 . 2 ]" 1
100 1 25 ASN H 1 47 LEU MD2 3.900 . 6.000 3.555 3.429 3.667 . 0 0 "[ . 1 . 2 ]" 1
101 1 25 ASN HB2 1 26 GLY H 3.000 . 4.200 3.013 2.943 3.242 . 0 0 "[ . 1 . 2 ]" 1
102 1 25 ASN HB2 1 47 LEU MD1 . . 3.300 2.958 2.815 3.126 . 0 0 "[ . 1 . 2 ]" 1
103 1 25 ASN HB2 1 47 LEU MD2 2.550 . 3.300 2.801 2.758 3.003 . 0 0 "[ . 1 . 2 ]" 1
104 1 25 ASN HB3 1 47 LEU MD1 3.000 . 4.200 4.177 3.864 4.231 0.031 1 0 "[ . 1 . 2 ]" 1
105 1 25 ASN HB3 1 47 LEU MD2 3.000 . 4.200 4.237 4.214 4.274 0.074 14 0 "[ . 1 . 2 ]" 1
106 1 26 GLY H 1 27 CYS H 2.350 . 2.900 2.655 2.600 2.813 . 0 0 "[ . 1 . 2 ]" 1
107 1 26 GLY H 1 28 GLY H 3.000 . 4.200 3.465 3.420 3.523 . 0 0 "[ . 1 . 2 ]" 1
108 1 26 GLY H 1 47 LEU MD2 3.000 . 4.200 3.942 3.852 4.153 . 0 0 "[ . 1 . 2 ]" 1
109 1 26 GLY QA 1 27 CYS H 2.350 . 2.900 2.589 2.453 2.611 . 0 0 "[ . 1 . 2 ]" 1
110 1 26 GLY QA 1 47 LEU MD1 3.000 . 4.200 2.706 2.598 2.941 . 0 0 "[ . 1 . 2 ]" 1
111 1 27 CYS H 1 29 CYS H 3.000 . 4.200 3.603 3.503 3.858 . 0 0 "[ . 1 . 2 ]" 1
112 1 27 CYS HA 1 28 GLY H 3.000 . 4.200 3.327 3.282 3.489 . 0 0 "[ . 1 . 2 ]" 1
113 1 28 GLY H 1 29 CYS H 2.650 . 3.500 2.680 2.276 2.732 . 0 0 "[ . 1 . 2 ]" 1
114 1 28 GLY QA 1 29 CYS H 2.650 . 3.500 2.928 2.872 2.944 . 0 0 "[ . 1 . 2 ]" 1
115 1 29 CYS H 1 30 VAL H 3.400 . 5.000 4.611 4.592 4.630 . 0 0 "[ . 1 . 2 ]" 1
116 1 29 CYS HA 1 30 VAL H 2.350 . 2.900 2.225 2.208 2.252 . 0 0 "[ . 1 . 2 ]" 1
117 1 29 CYS HB2 1 30 VAL H 2.350 . 2.900 2.957 2.913 2.985 0.085 7 0 "[ . 1 . 2 ]" 1
118 1 30 VAL H 1 31 PHE H 3.400 . 5.000 4.571 4.563 4.592 . 0 0 "[ . 1 . 2 ]" 1
119 1 30 VAL HA 1 31 PHE H 2.350 . 2.900 2.174 2.160 2.210 . 0 0 "[ . 1 . 2 ]" 1
120 1 30 VAL HB 1 31 PHE H 2.650 . 3.500 3.623 3.198 3.676 0.176 7 0 "[ . 1 . 2 ]" 1
121 1 30 VAL HB 1 32 THR MG 3.900 . 6.000 3.338 3.106 4.897 . 0 0 "[ . 1 . 2 ]" 1
122 1 30 VAL QG 1 31 PHE H 2.350 . 2.900 2.449 1.989 2.954 0.054 10 0 "[ . 1 . 2 ]" 1
123 1 30 VAL QG 1 32 THR HA 3.900 . 6.000 4.632 3.745 5.304 . 0 0 "[ . 1 . 2 ]" 1
124 1 30 VAL QG 1 32 THR MG 2.550 . 3.300 3.218 2.257 3.346 0.046 10 0 "[ . 1 . 2 ]" 1
125 1 31 PHE H 1 32 THR H 3.400 . 5.000 4.513 4.503 4.526 . 0 0 "[ . 1 . 2 ]" 1
126 1 31 PHE HA 1 32 THR H 2.350 . 2.900 2.131 2.118 2.153 . 0 0 "[ . 1 . 2 ]" 1
127 1 31 PHE HA 1 35 VAL HB 2.550 . 3.300 2.830 2.631 2.936 . 0 0 "[ . 1 . 2 ]" 1
128 1 31 PHE HA 1 35 VAL MG1 3.000 . 4.200 3.038 2.832 3.293 . 0 0 "[ . 1 . 2 ]" 1
129 1 31 PHE HA 1 35 VAL MG2 3.000 . 4.200 3.630 3.479 3.709 . 0 0 "[ . 1 . 2 ]" 1
130 1 31 PHE HB2 1 32 THR H 3.000 . 4.200 4.117 4.079 4.223 0.023 21 0 "[ . 1 . 2 ]" 1
131 1 31 PHE HB2 1 35 VAL MG1 3.900 . 6.000 4.805 4.571 5.113 . 0 0 "[ . 1 . 2 ]" 1
132 1 31 PHE HB3 1 32 THR H 2.650 . 3.500 3.107 3.065 3.226 . 0 0 "[ . 1 . 2 ]" 1
133 1 31 PHE HB3 1 35 VAL MG1 3.900 . 6.000 3.551 3.249 3.945 . 0 0 "[ . 1 . 2 ]" 1
134 1 31 PHE HB3 1 35 VAL MG2 3.400 . 5.000 5.016 4.901 5.071 0.071 9 0 "[ . 1 . 2 ]" 1
135 1 31 PHE QD 1 32 THR H 3.900 . 6.000 3.835 3.709 3.943 . 0 0 "[ . 1 . 2 ]" 1
136 1 31 PHE QD 1 35 VAL MG1 3.000 . 4.200 1.974 1.836 2.161 . 0 0 "[ . 1 . 2 ]" 1
137 1 31 PHE QD 1 46 VAL MG1 3.900 . 6.000 3.582 3.483 3.688 . 0 0 "[ . 1 . 2 ]" 1
138 1 31 PHE QD 1 48 CYS HA 3.900 . 6.000 3.621 3.342 3.898 . 0 0 "[ . 1 . 2 ]" 1
139 1 31 PHE QE 1 35 VAL MG1 3.900 . 6.000 3.081 2.753 3.381 . 0 0 "[ . 1 . 2 ]" 1
140 1 31 PHE QE 1 37 ARG HA 3.900 . 6.000 3.526 2.750 4.102 . 0 0 "[ . 1 . 2 ]" 1
141 1 31 PHE QE 1 46 VAL MG1 3.900 . 6.000 2.626 2.504 2.755 . 0 0 "[ . 1 . 2 ]" 1
142 1 31 PHE QE 1 48 CYS HA 3.000 . 4.200 2.028 1.901 2.178 . 0 0 "[ . 1 . 2 ]" 1
143 1 31 PHE QE 1 48 CYS HB2 3.900 . 6.000 3.076 2.846 3.187 . 0 0 "[ . 1 . 2 ]" 1
144 1 31 PHE QE 1 48 CYS HB3 3.900 . 6.000 2.281 2.009 2.807 . 0 0 "[ . 1 . 2 ]" 1
145 1 31 PHE HZ 1 46 VAL MG1 3.000 . 4.200 2.068 1.936 2.228 . 0 0 "[ . 1 . 2 ]" 1
146 1 32 THR H 1 35 VAL H 3.000 . 4.200 3.054 2.891 3.142 . 0 0 "[ . 1 . 2 ]" 1
147 1 32 THR H 1 35 VAL HB 2.650 . 3.500 1.880 1.799 2.117 0.001 20 0 "[ . 1 . 2 ]" 1
148 1 32 THR H 1 35 VAL MG1 3.000 . 4.200 3.373 3.179 3.681 . 0 0 "[ . 1 . 2 ]" 1
149 1 32 THR H 1 35 VAL MG2 3.400 . 5.000 2.939 2.797 3.038 . 0 0 "[ . 1 . 2 ]" 1
150 1 32 THR MG 1 35 VAL H 3.400 . 5.000 4.239 4.138 4.396 . 0 0 "[ . 1 . 2 ]" 1
151 1 32 THR MG 1 35 VAL HB 3.000 . 4.200 3.970 3.789 4.143 . 0 0 "[ . 1 . 2 ]" 1
152 1 35 VAL H 1 36 ARG H 3.000 . 4.200 4.315 4.288 4.336 0.136 20 0 "[ . 1 . 2 ]" 1
153 1 35 VAL HA 1 36 ARG H 2.350 . 2.900 2.088 2.070 2.133 . 0 0 "[ . 1 . 2 ]" 1
154 1 35 VAL HB 1 36 ARG H 3.000 . 4.200 4.309 4.279 4.360 0.160 5 0 "[ . 1 . 2 ]" 1
155 1 35 VAL MG1 1 36 ARG H 2.650 . 3.500 2.927 2.800 3.085 . 0 0 "[ . 1 . 2 ]" 1
156 1 35 VAL MG1 1 48 CYS HA 3.400 . 5.000 2.953 2.819 3.115 . 0 0 "[ . 1 . 2 ]" 1
157 1 35 VAL MG1 1 48 CYS HB2 2.550 . 3.300 1.970 1.831 2.132 . 0 0 "[ . 1 . 2 ]" 1
158 1 35 VAL MG1 1 48 CYS HB3 2.550 . 3.300 2.873 2.449 3.212 . 0 0 "[ . 1 . 2 ]" 1
159 1 35 VAL MG2 1 36 ARG H 3.400 . 5.000 4.045 3.951 4.184 . 0 0 "[ . 1 . 2 ]" 1
160 1 35 VAL MG2 1 48 CYS HB2 2.550 . 3.300 3.380 3.345 3.437 0.137 1 0 "[ . 1 . 2 ]" 1
161 1 36 ARG HA 1 37 ARG H 2.350 . 2.900 2.249 2.205 2.451 . 0 0 "[ . 1 . 2 ]" 1
162 1 36 ARG QB 1 37 ARG H 2.650 . 3.500 2.743 2.474 2.842 . 0 0 "[ . 1 . 2 ]" 1
163 1 36 ARG QG 1 37 ARG H 3.400 . 5.000 4.097 3.886 4.477 . 0 0 "[ . 1 . 2 ]" 1
164 1 37 ARG H 1 38 HIS H 3.900 . 6.000 4.580 4.537 4.598 . 0 0 "[ . 1 . 2 ]" 1
165 1 37 ARG HA 1 38 HIS H 2.350 . 2.900 2.212 2.187 2.266 . 0 0 "[ . 1 . 2 ]" 1
166 1 37 ARG HA 1 46 VAL MG1 3.000 . 4.200 3.123 2.795 3.318 . 0 0 "[ . 1 . 2 ]" 1
167 1 37 ARG HA 1 48 CYS HA 3.900 . 6.000 4.010 3.492 4.406 . 0 0 "[ . 1 . 2 ]" 1
168 1 37 ARG HB2 1 38 HIS H 3.400 . 5.000 4.116 4.051 4.205 . 0 0 "[ . 1 . 2 ]" 1
169 1 37 ARG HB2 1 46 VAL MG1 3.900 . 6.000 3.722 3.441 4.008 . 0 0 "[ . 1 . 2 ]" 1
170 1 37 ARG HB3 1 38 HIS H 3.000 . 4.200 3.794 2.908 4.059 . 0 0 "[ . 1 . 2 ]" 1
171 1 37 ARG HD2 1 46 VAL MG1 3.000 . 4.200 3.213 2.128 3.913 . 0 0 "[ . 1 . 2 ]" 1
172 1 37 ARG HD3 1 46 VAL MG1 2.550 . 3.300 2.843 1.992 3.344 0.044 7 0 "[ . 1 . 2 ]" 1
173 1 37 ARG HD3 1 46 VAL MG2 3.000 . 4.200 2.920 2.063 3.615 . 0 0 "[ . 1 . 2 ]" 1
174 1 37 ARG HG3 1 46 VAL MG1 2.550 . 3.300 2.021 1.754 3.462 0.162 14 0 "[ . 1 . 2 ]" 1
175 1 37 ARG HG3 1 46 VAL MG2 3.900 . 6.000 3.316 2.597 5.113 . 0 0 "[ . 1 . 2 ]" 1
176 1 38 HIS H 1 39 HIS H 3.900 . 6.000 4.403 4.236 4.422 . 0 0 "[ . 1 . 2 ]" 1
177 1 38 HIS H 1 46 VAL MG2 3.400 . 5.000 4.263 4.019 4.561 . 0 0 "[ . 1 . 2 ]" 1
178 1 38 HIS H 1 47 LEU H 3.000 . 4.200 3.094 2.709 3.288 . 0 0 "[ . 1 . 2 ]" 1
179 1 38 HIS HA 1 39 HIS H 2.350 . 2.900 2.405 2.225 2.476 . 0 0 "[ . 1 . 2 ]" 1
180 1 38 HIS HB2 1 39 HIS H 3.000 . 4.200 3.588 3.433 4.010 . 0 0 "[ . 1 . 2 ]" 1
181 1 38 HIS HB2 1 47 LEU HB2 3.900 . 6.000 3.685 3.480 3.835 . 0 0 "[ . 1 . 2 ]" 1
182 1 38 HIS HB3 1 39 HIS H 2.650 . 3.500 2.425 2.204 3.032 . 0 0 "[ . 1 . 2 ]" 1
183 1 38 HIS HD2 1 48 CYS HA 3.000 . 4.200 3.228 3.030 3.764 . 0 0 "[ . 1 . 2 ]" 1
184 1 38 HIS HD2 1 49 GLY H 3.900 . 6.000 3.482 3.245 3.885 . 0 0 "[ . 1 . 2 ]" 1
185 1 38 HIS HD2 1 49 GLY QA 3.400 . 5.000 3.315 2.922 3.538 . 0 0 "[ . 1 . 2 ]" 1
186 1 39 HIS HA 1 40 CYS H 2.350 . 2.900 2.253 2.231 2.309 . 0 0 "[ . 1 . 2 ]" 1
187 1 39 HIS HA 1 46 VAL HA 2.250 . 2.700 2.613 2.459 2.714 0.014 19 0 "[ . 1 . 2 ]" 1
188 1 39 HIS HA 1 46 VAL MG2 3.900 . 6.000 3.982 3.889 4.104 . 0 0 "[ . 1 . 2 ]" 1
189 1 39 HIS HA 1 47 LEU H 2.650 . 3.500 3.095 2.835 3.336 . 0 0 "[ . 1 . 2 ]" 1
190 1 39 HIS HB2 1 40 CYS H 3.400 . 5.000 3.910 3.716 3.989 . 0 0 "[ . 1 . 2 ]" 1
191 1 39 HIS HB3 1 40 CYS H 3.400 . 5.000 2.827 2.616 2.920 . 0 0 "[ . 1 . 2 ]" 1
192 1 39 HIS HD2 1 46 VAL MG2 3.900 . 6.000 3.855 2.103 5.171 . 0 0 "[ . 1 . 2 ]" 1
193 1 40 CYS H 1 45 TYR H 2.650 . 3.500 3.203 3.060 3.792 0.292 21 0 "[ . 1 . 2 ]" 1
194 1 40 CYS H 1 46 VAL HA 3.000 . 4.200 4.180 4.086 4.263 0.063 19 0 "[ . 1 . 2 ]" 1
195 1 40 CYS H 1 47 LEU MD1 3.900 . 6.000 5.391 5.290 5.460 . 0 0 "[ . 1 . 2 ]" 1
196 1 40 CYS H 1 47 LEU MD2 2.650 . 3.500 2.869 2.758 2.950 . 0 0 "[ . 1 . 2 ]" 1
197 1 40 CYS HA 1 41 ARG H 2.350 . 2.900 2.200 2.179 2.216 . 0 0 "[ . 1 . 2 ]" 1
198 1 40 CYS HA 1 42 ASN H 3.000 . 4.200 3.793 3.761 3.822 . 0 0 "[ . 1 . 2 ]" 1
199 1 40 CYS HA 1 47 LEU MD2 3.400 . 5.000 4.248 3.972 4.329 . 0 0 "[ . 1 . 2 ]" 1
200 1 40 CYS HA 1 69 VAL HA 2.250 . 2.700 2.723 2.641 2.792 0.092 21 0 "[ . 1 . 2 ]" 1
201 1 40 CYS HA 1 70 CYS H 3.000 . 4.200 4.222 3.785 4.293 0.093 21 0 "[ . 1 . 2 ]" 1
202 1 40 CYS HB2 1 45 TYR H 3.400 . 5.000 4.362 4.249 4.746 . 0 0 "[ . 1 . 2 ]" 1
203 1 40 CYS HB2 1 45 TYR QD 3.900 . 6.000 5.992 5.807 6.026 0.026 20 0 "[ . 1 . 2 ]" 1
204 1 40 CYS HB2 1 47 LEU MD1 3.000 . 4.200 4.296 4.271 4.326 0.126 17 0 "[ . 1 . 2 ]" 1
205 1 40 CYS HB2 1 47 LEU MD2 2.550 . 3.300 2.614 2.268 2.750 . 0 0 "[ . 1 . 2 ]" 1
206 1 40 CYS HB2 1 69 VAL HA 3.400 . 5.000 3.270 3.152 3.632 . 0 0 "[ . 1 . 2 ]" 1
207 1 40 CYS HB2 1 70 CYS H 3.000 . 4.200 2.956 2.423 3.351 . 0 0 "[ . 1 . 2 ]" 1
208 1 40 CYS HB3 1 41 ARG H 3.400 . 5.000 4.174 4.145 4.255 . 0 0 "[ . 1 . 2 ]" 1
209 1 40 CYS HB3 1 43 CYS H 3.400 . 5.000 3.274 3.180 3.360 . 0 0 "[ . 1 . 2 ]" 1
210 1 40 CYS HB3 1 44 GLY H 2.650 . 3.500 2.735 2.122 2.871 . 0 0 "[ . 1 . 2 ]" 1
211 1 40 CYS HB3 1 45 TYR H 2.650 . 3.500 2.811 2.720 3.293 . 0 0 "[ . 1 . 2 ]" 1
212 1 40 CYS HB3 1 45 TYR HB2 3.000 . 4.200 4.078 4.014 4.155 . 0 0 "[ . 1 . 2 ]" 1
213 1 40 CYS HB3 1 47 LEU MD2 2.250 . 2.700 2.755 2.720 2.786 0.086 3 0 "[ . 1 . 2 ]" 1
214 1 40 CYS HB3 1 47 LEU HG 3.000 . 4.200 4.114 4.012 4.420 0.220 21 0 "[ . 1 . 2 ]" 1
215 1 40 CYS HB3 1 69 VAL HA 3.400 . 5.000 4.338 4.240 4.651 . 0 0 "[ . 1 . 2 ]" 1
216 1 40 CYS HB3 1 70 CYS H 3.400 . 5.000 4.020 3.636 4.419 . 0 0 "[ . 1 . 2 ]" 1
217 1 41 ARG H 1 42 ASN H 2.650 . 3.500 2.690 2.661 2.738 . 0 0 "[ . 1 . 2 ]" 1
218 1 41 ARG H 1 58 ILE MD 3.900 . 6.000 3.815 3.664 3.981 . 0 0 "[ . 1 . 2 ]" 1
219 1 41 ARG H 1 69 VAL HA 2.350 . 2.900 2.866 2.742 2.947 0.047 5 0 "[ . 1 . 2 ]" 1
220 1 41 ARG H 1 69 VAL HB 3.400 . 5.000 4.595 4.527 4.706 . 0 0 "[ . 1 . 2 ]" 1
221 1 41 ARG H 1 69 VAL MG1 2.350 . 2.900 2.998 2.940 3.045 0.145 21 0 "[ . 1 . 2 ]" 1
222 1 41 ARG H 1 70 CYS H 3.400 . 5.000 4.884 4.619 5.018 0.018 21 0 "[ . 1 . 2 ]" 1
223 1 41 ARG HB3 1 58 ILE MD 2.250 . 2.700 2.567 2.054 2.715 0.015 3 0 "[ . 1 . 2 ]" 1
224 1 41 ARG HB3 1 63 ILE MD 2.550 . 3.300 2.372 2.046 3.070 . 0 0 "[ . 1 . 2 ]" 1
225 1 42 ASN H 1 43 CYS H 2.650 . 3.500 2.667 2.635 2.709 . 0 0 "[ . 1 . 2 ]" 1
226 1 42 ASN H 1 44 GLY H 3.400 . 5.000 3.174 3.115 3.569 . 0 0 "[ . 1 . 2 ]" 1
227 1 42 ASN H 1 58 ILE MD 3.400 . 5.000 3.472 3.335 3.569 . 0 0 "[ . 1 . 2 ]" 1
228 1 42 ASN H 1 58 ILE HG12 3.900 . 6.000 5.921 5.726 6.033 0.033 18 0 "[ . 1 . 2 ]" 1
229 1 42 ASN H 1 69 VAL MG1 2.650 . 3.500 3.108 2.974 3.383 . 0 0 "[ . 1 . 2 ]" 1
230 1 42 ASN HA 1 58 ILE MD 2.550 . 3.300 3.101 2.855 3.323 0.023 18 0 "[ . 1 . 2 ]" 1
231 1 42 ASN HA 1 58 ILE HG12 3.900 . 6.000 5.424 5.114 5.738 . 0 0 "[ . 1 . 2 ]" 1
232 1 42 ASN HB2 1 43 CYS H 2.350 . 2.900 2.176 2.083 2.418 . 0 0 "[ . 1 . 2 ]" 1
233 1 42 ASN HB2 1 58 ILE MD 3.000 . 4.200 3.670 3.443 3.845 . 0 0 "[ . 1 . 2 ]" 1
234 1 42 ASN HB2 1 69 VAL MG1 2.550 . 3.300 3.221 2.971 3.354 0.054 21 0 "[ . 1 . 2 ]" 1
235 1 42 ASN HB2 1 73 CYS HB2 3.400 . 5.000 2.898 2.833 3.103 . 0 0 "[ . 1 . 2 ]" 1
236 1 42 ASN HB2 1 73 CYS HB3 3.000 . 4.200 1.964 1.891 2.146 . 0 0 "[ . 1 . 2 ]" 1
237 1 42 ASN HB2 1 77 LEU MD1 3.400 . 5.000 3.957 3.822 4.145 . 0 0 "[ . 1 . 2 ]" 1
238 1 42 ASN HB2 1 77 LEU MD2 3.900 . 6.000 5.248 4.905 5.440 . 0 0 "[ . 1 . 2 ]" 1
239 1 42 ASN HB3 1 43 CYS H 2.350 . 2.900 2.818 2.545 2.907 0.007 5 0 "[ . 1 . 2 ]" 1
240 1 42 ASN HB3 1 58 ILE MD 3.000 . 4.200 4.034 3.899 4.286 0.086 18 0 "[ . 1 . 2 ]" 1
241 1 42 ASN HB3 1 69 VAL MG1 3.000 . 4.200 4.356 4.303 4.504 0.304 21 0 "[ . 1 . 2 ]" 1
242 1 42 ASN HB3 1 73 CYS HB3 3.000 . 4.200 2.479 2.377 2.703 . 0 0 "[ . 1 . 2 ]" 1
243 1 42 ASN HB3 1 77 LEU MD1 3.000 . 4.200 3.824 3.666 4.268 0.068 18 0 "[ . 1 . 2 ]" 1
244 1 42 ASN HB3 1 77 LEU MD2 3.900 . 6.000 4.365 4.220 4.787 . 0 0 "[ . 1 . 2 ]" 1
245 1 42 ASN HD21 1 73 CYS HA 3.400 . 5.000 4.232 3.127 5.024 0.024 4 0 "[ . 1 . 2 ]" 1
246 1 42 ASN HD21 1 73 CYS HB2 3.000 . 4.200 2.565 2.259 3.898 . 0 0 "[ . 1 . 2 ]" 1
247 1 42 ASN HD21 1 73 CYS HB3 3.000 . 4.200 1.992 1.848 2.675 . 0 0 "[ . 1 . 2 ]" 1
248 1 42 ASN HD21 1 77 LEU MD1 3.900 . 6.000 2.748 2.426 2.921 . 0 0 "[ . 1 . 2 ]" 1
249 1 42 ASN HD22 1 73 CYS HA 3.900 . 6.000 5.217 4.628 5.679 . 0 0 "[ . 1 . 2 ]" 1
250 1 42 ASN HD22 1 73 CYS HB3 3.000 . 4.200 3.266 3.176 3.711 . 0 0 "[ . 1 . 2 ]" 1
251 1 42 ASN HD22 1 77 LEU MD1 3.400 . 5.000 1.775 1.734 1.859 0.066 20 0 "[ . 1 . 2 ]" 1
252 1 42 ASN HD22 1 77 LEU MD2 3.400 . 5.000 3.750 1.841 3.988 . 0 0 "[ . 1 . 2 ]" 1
253 1 43 CYS H 1 44 GLY H 2.350 . 2.900 2.501 2.483 2.516 . 0 0 "[ . 1 . 2 ]" 1
254 1 43 CYS H 1 45 TYR H 3.900 . 6.000 4.117 4.065 4.396 . 0 0 "[ . 1 . 2 ]" 1
255 1 43 CYS HB2 1 44 GLY H 3.900 . 6.000 4.001 3.732 4.038 . 0 0 "[ . 1 . 2 ]" 1
256 1 44 GLY H 1 45 TYR H 2.650 . 3.500 2.531 2.506 2.599 . 0 0 "[ . 1 . 2 ]" 1
257 1 45 TYR HA 1 46 VAL H 2.350 . 2.900 2.369 2.346 2.419 . 0 0 "[ . 1 . 2 ]" 1
258 1 45 TYR HB2 1 46 VAL H 2.650 . 3.500 3.578 3.546 3.613 0.113 15 0 "[ . 1 . 2 ]" 1
259 1 45 TYR HB2 1 47 LEU MD1 3.900 . 6.000 3.878 3.677 4.024 . 0 0 "[ . 1 . 2 ]" 1
260 1 45 TYR HB2 1 47 LEU MD2 2.550 . 3.300 2.494 2.451 2.576 . 0 0 "[ . 1 . 2 ]" 1
261 1 45 TYR HB3 1 46 VAL H 2.350 . 2.900 2.437 2.339 2.488 . 0 0 "[ . 1 . 2 ]" 1
262 1 45 TYR HB3 1 47 LEU MD2 3.400 . 5.000 3.156 3.020 3.256 . 0 0 "[ . 1 . 2 ]" 1
263 1 46 VAL HA 1 47 LEU H 2.350 . 2.900 2.154 2.144 2.163 . 0 0 "[ . 1 . 2 ]" 1
264 1 46 VAL HB 1 47 LEU H 3.400 . 5.000 4.167 4.109 4.215 . 0 0 "[ . 1 . 2 ]" 1
265 1 46 VAL MG1 1 47 LEU H 2.650 . 3.500 2.571 2.502 2.612 . 0 0 "[ . 1 . 2 ]" 1
266 1 46 VAL MG1 1 48 CYS H 3.000 . 4.200 4.269 4.239 4.413 0.213 21 0 "[ . 1 . 2 ]" 1
267 1 46 VAL MG2 1 47 LEU H 3.400 . 5.000 3.975 3.891 4.021 . 0 0 "[ . 1 . 2 ]" 1
268 1 47 LEU HA 1 48 CYS H 2.350 . 2.900 2.209 2.196 2.220 . 0 0 "[ . 1 . 2 ]" 1
269 1 47 LEU HB2 1 48 CYS H 3.000 . 4.200 4.078 4.036 4.120 . 0 0 "[ . 1 . 2 ]" 1
270 1 47 LEU HB2 1 52 SER HB3 3.400 . 5.000 2.315 2.129 2.483 . 0 0 "[ . 1 . 2 ]" 1
271 1 47 LEU HB2 1 70 CYS HB3 3.900 . 6.000 4.044 3.987 4.116 . 0 0 "[ . 1 . 2 ]" 1
272 1 47 LEU HB3 1 48 CYS H 2.650 . 3.500 2.991 2.922 3.045 . 0 0 "[ . 1 . 2 ]" 1
273 1 47 LEU HB3 1 51 CYS HB2 3.000 . 4.200 2.899 2.775 3.005 . 0 0 "[ . 1 . 2 ]" 1
274 1 47 LEU HB3 1 51 CYS HB3 3.000 . 4.200 2.479 2.299 2.637 . 0 0 "[ . 1 . 2 ]" 1
275 1 47 LEU HB3 1 52 SER HB2 3.000 . 4.200 4.058 3.916 4.158 . 0 0 "[ . 1 . 2 ]" 1
276 1 47 LEU HB3 1 52 SER HB3 3.400 . 5.000 2.387 2.247 2.464 . 0 0 "[ . 1 . 2 ]" 1
277 1 47 LEU MD1 1 48 CYS H 3.900 . 6.000 3.248 3.007 3.427 . 0 0 "[ . 1 . 2 ]" 1
278 1 47 LEU MD1 1 51 CYS HB3 2.250 . 2.700 1.836 1.802 1.902 . 0 0 "[ . 1 . 2 ]" 1
279 1 47 LEU MD1 1 52 SER HA 3.400 . 5.000 4.625 4.499 4.976 . 0 0 "[ . 1 . 2 ]" 1
280 1 47 LEU MD1 1 52 SER HB3 3.000 . 4.200 4.219 4.152 4.315 0.115 21 0 "[ . 1 . 2 ]" 1
281 1 47 LEU MD1 1 70 CYS HA 3.000 . 4.200 3.533 3.327 4.097 . 0 0 "[ . 1 . 2 ]" 1
282 1 47 LEU MD1 1 70 CYS HB2 2.250 . 2.700 1.909 1.822 2.484 . 0 0 "[ . 1 . 2 ]" 1
283 1 47 LEU MD1 1 70 CYS HB3 2.550 . 3.300 2.931 2.786 3.199 . 0 0 "[ . 1 . 2 ]" 1
284 1 47 LEU MD1 1 71 ASP H 3.000 . 4.200 3.261 3.134 3.794 . 0 0 "[ . 1 . 2 ]" 1
285 1 47 LEU MD2 1 51 CYS HB3 3.000 . 4.200 4.279 4.248 4.447 0.247 21 0 "[ . 1 . 2 ]" 1
286 1 47 LEU MD2 1 52 SER HB2 3.900 . 6.000 5.184 4.971 5.317 . 0 0 "[ . 1 . 2 ]" 1
287 1 47 LEU MD2 1 70 CYS H 3.900 . 6.000 4.588 4.357 4.684 . 0 0 "[ . 1 . 2 ]" 1
288 1 47 LEU MD2 1 70 CYS HA 3.400 . 5.000 4.481 4.388 4.563 . 0 0 "[ . 1 . 2 ]" 1
289 1 47 LEU MD2 1 70 CYS HB2 2.550 . 3.300 3.303 3.277 3.381 0.081 21 0 "[ . 1 . 2 ]" 1
290 1 47 LEU MD2 1 70 CYS HB3 2.550 . 3.300 2.591 2.509 2.684 . 0 0 "[ . 1 . 2 ]" 1
291 1 47 LEU MD2 1 71 ASP H 3.400 . 5.000 5.132 5.097 5.178 0.178 13 0 "[ . 1 . 2 ]" 1
292 1 47 LEU HG 1 51 CYS HB3 3.400 . 5.000 3.508 3.351 3.592 . 0 0 "[ . 1 . 2 ]" 1
293 1 47 LEU HG 1 52 SER HB3 3.900 . 6.000 3.703 3.622 3.813 . 0 0 "[ . 1 . 2 ]" 1
294 1 47 LEU HG 1 70 CYS HA 3.900 . 6.000 3.048 2.906 3.274 . 0 0 "[ . 1 . 2 ]" 1
295 1 47 LEU HG 1 70 CYS HB2 3.000 . 4.200 2.086 1.992 2.303 . 0 0 "[ . 1 . 2 ]" 1
296 1 47 LEU HG 1 70 CYS HB3 3.000 . 4.200 1.880 1.819 1.941 . 0 0 "[ . 1 . 2 ]" 1
297 1 48 CYS H 1 51 CYS HB2 2.650 . 3.500 2.374 2.334 2.496 . 0 0 "[ . 1 . 2 ]" 1
298 1 48 CYS H 1 51 CYS HB3 2.650 . 3.500 3.524 3.487 3.565 0.065 21 0 "[ . 1 . 2 ]" 1
299 1 48 CYS HA 1 49 GLY H 2.350 . 2.900 2.618 2.577 2.696 . 0 0 "[ . 1 . 2 ]" 1
300 1 48 CYS HA 1 50 ASP H 3.900 . 6.000 4.864 4.790 5.099 . 0 0 "[ . 1 . 2 ]" 1
301 1 48 CYS HB2 1 49 GLY H 3.000 . 4.200 2.398 2.026 2.595 . 0 0 "[ . 1 . 2 ]" 1
302 1 48 CYS HB2 1 50 ASP H 3.000 . 4.200 3.811 3.675 3.978 . 0 0 "[ . 1 . 2 ]" 1
303 1 48 CYS HB3 1 49 GLY H 3.900 . 6.000 3.832 3.566 3.945 . 0 0 "[ . 1 . 2 ]" 1
304 1 49 GLY H 1 50 ASP H 2.650 . 3.500 2.925 2.872 2.980 . 0 0 "[ . 1 . 2 ]" 1
305 1 49 GLY QA 1 50 ASP H 2.650 . 3.500 2.576 2.550 2.589 . 0 0 "[ . 1 . 2 ]" 1
306 1 50 ASP H 1 51 CYS H 2.350 . 2.900 2.808 2.773 2.908 0.008 21 0 "[ . 1 . 2 ]" 1
307 1 50 ASP H 1 52 SER H 3.900 . 6.000 3.967 3.934 4.006 . 0 0 "[ . 1 . 2 ]" 1
308 1 50 ASP HA 1 51 CYS H 2.650 . 3.500 3.500 3.487 3.552 0.052 21 0 "[ . 1 . 2 ]" 1
309 1 50 ASP HA 1 53 ARG HB2 2.550 . 3.300 3.391 3.131 3.457 0.157 1 0 "[ . 1 . 2 ]" 1
310 1 50 ASP HB2 1 51 CYS H 2.650 . 3.500 2.834 2.429 2.896 . 0 0 "[ . 1 . 2 ]" 1
311 1 50 ASP HB3 1 51 CYS H 2.650 . 3.500 3.598 3.337 3.635 0.135 2 0 "[ . 1 . 2 ]" 1
312 1 51 CYS H 1 52 SER H 2.650 . 3.500 2.419 2.387 2.626 . 0 0 "[ . 1 . 2 ]" 1
313 1 51 CYS HA 1 52 SER H 2.650 . 3.500 3.287 3.264 3.465 . 0 0 "[ . 1 . 2 ]" 1
314 1 51 CYS HB2 1 52 SER H 3.400 . 5.000 3.640 3.236 3.690 . 0 0 "[ . 1 . 2 ]" 1
315 1 52 SER H 1 53 ARG H 2.350 . 2.900 2.280 2.208 2.930 0.030 21 0 "[ . 1 . 2 ]" 1
316 1 52 SER HA 1 53 ARG H 2.650 . 3.500 2.948 2.701 2.978 . 0 0 "[ . 1 . 2 ]" 1
317 1 52 SER HA 1 54 HIS H 3.400 . 5.000 3.344 3.287 3.475 . 0 0 "[ . 1 . 2 ]" 1
318 1 53 ARG H 1 54 HIS H 2.650 . 3.500 2.406 2.143 2.447 . 0 0 "[ . 1 . 2 ]" 1
319 1 53 ARG HB2 1 54 HIS H 2.650 . 3.500 3.252 3.181 3.352 . 0 0 "[ . 1 . 2 ]" 1
320 1 54 HIS H 1 55 ARG H 3.400 . 5.000 4.574 4.552 4.584 . 0 0 "[ . 1 . 2 ]" 1
321 1 54 HIS H 1 69 VAL MG2 3.400 . 5.000 4.653 4.593 4.759 . 0 0 "[ . 1 . 2 ]" 1
322 1 54 HIS HA 1 55 ARG H 2.350 . 2.900 2.390 2.366 2.429 . 0 0 "[ . 1 . 2 ]" 1
323 1 54 HIS HA 1 69 VAL MG2 3.900 . 6.000 4.931 4.874 5.028 . 0 0 "[ . 1 . 2 ]" 1
324 1 54 HIS HA 1 74 TYR QD 3.900 . 6.000 5.272 5.088 5.711 . 0 0 "[ . 1 . 2 ]" 1
325 1 54 HIS HA 1 74 TYR QE 3.900 . 6.000 5.201 4.951 5.653 . 0 0 "[ . 1 . 2 ]" 1
326 1 54 HIS HB2 1 55 ARG H 2.650 . 3.500 3.627 3.545 3.670 0.170 12 0 "[ . 1 . 2 ]" 1
327 1 54 HIS HB2 1 69 VAL MG2 2.550 . 3.300 3.119 2.992 3.290 . 0 0 "[ . 1 . 2 ]" 1
328 1 54 HIS HB2 1 74 TYR QB 2.550 . 3.300 3.337 3.247 3.375 0.075 18 0 "[ . 1 . 2 ]" 1
329 1 54 HIS HB2 1 74 TYR QD 3.900 . 6.000 3.934 3.622 4.334 . 0 0 "[ . 1 . 2 ]" 1
330 1 54 HIS HB2 1 74 TYR QE 3.900 . 6.000 5.064 4.765 5.292 . 0 0 "[ . 1 . 2 ]" 1
331 1 54 HIS HB3 1 69 VAL MG2 2.550 . 3.300 3.397 3.370 3.421 0.121 1 0 "[ . 1 . 2 ]" 1
332 1 54 HIS HB3 1 74 TYR QB 3.900 . 6.000 3.426 3.266 3.585 . 0 0 "[ . 1 . 2 ]" 1
333 1 54 HIS HB3 1 74 TYR QD 3.400 . 5.000 3.102 2.844 3.706 . 0 0 "[ . 1 . 2 ]" 1
334 1 54 HIS HB3 1 74 TYR QE 3.900 . 6.000 3.643 3.325 4.099 . 0 0 "[ . 1 . 2 ]" 1
335 1 54 HIS HD2 1 71 ASP HA 3.400 . 5.000 3.368 2.731 5.029 0.029 4 0 "[ . 1 . 2 ]" 1
336 1 55 ARG H 1 69 VAL MG2 3.900 . 6.000 4.023 3.867 4.120 . 0 0 "[ . 1 . 2 ]" 1
337 1 55 ARG HA 1 56 ALA H 2.350 . 2.900 2.176 2.159 2.226 . 0 0 "[ . 1 . 2 ]" 1
338 1 55 ARG HA 1 68 ARG HA 2.550 . 3.300 2.346 2.216 2.408 . 0 0 "[ . 1 . 2 ]" 1
339 1 55 ARG HA 1 69 VAL H 3.000 . 4.200 3.026 2.729 3.218 . 0 0 "[ . 1 . 2 ]" 1
340 1 55 ARG HA 1 69 VAL MG2 3.000 . 4.200 3.027 2.740 3.220 . 0 0 "[ . 1 . 2 ]" 1
341 1 55 ARG HB2 1 56 ALA H 3.900 . 6.000 4.026 3.731 4.102 . 0 0 "[ . 1 . 2 ]" 1
342 1 55 ARG HB3 1 56 ALA H 3.000 . 4.200 3.087 3.023 3.150 . 0 0 "[ . 1 . 2 ]" 1
343 1 55 ARG HB3 1 68 ARG H 3.900 . 6.000 4.912 4.366 5.075 . 0 0 "[ . 1 . 2 ]" 1
344 1 55 ARG HB3 1 68 ARG HA 3.000 . 4.200 3.803 3.099 3.960 . 0 0 "[ . 1 . 2 ]" 1
345 1 55 ARG HB3 1 68 ARG HB2 3.900 . 6.000 5.936 5.646 6.055 0.055 19 0 "[ . 1 . 2 ]" 1
346 1 55 ARG HB3 1 68 ARG HB3 3.400 . 5.000 5.117 5.076 5.188 0.188 16 0 "[ . 1 . 2 ]" 1
347 1 55 ARG HB3 1 69 VAL H 3.900 . 6.000 5.275 4.683 5.526 . 0 0 "[ . 1 . 2 ]" 1
348 1 55 ARG QD 1 68 ARG HA 3.900 . 6.000 4.496 4.093 4.992 . 0 0 "[ . 1 . 2 ]" 1
349 1 56 ALA H 1 66 PRO HA 3.000 . 4.200 4.131 3.994 4.243 0.043 16 0 "[ . 1 . 2 ]" 1
350 1 56 ALA H 1 66 PRO QB 3.900 . 6.000 3.974 3.824 4.155 . 0 0 "[ . 1 . 2 ]" 1
351 1 56 ALA H 1 67 GLU H 2.650 . 3.500 2.997 2.815 3.112 . 0 0 "[ . 1 . 2 ]" 1
352 1 56 ALA H 1 69 VAL MG1 3.900 . 6.000 3.378 3.195 3.533 . 0 0 "[ . 1 . 2 ]" 1
353 1 56 ALA H 1 69 VAL MG2 2.650 . 3.500 3.051 2.913 3.232 . 0 0 "[ . 1 . 2 ]" 1
354 1 56 ALA HA 1 57 ALA H 2.350 . 2.900 2.311 2.194 2.327 . 0 0 "[ . 1 . 2 ]" 1
355 1 56 ALA HA 1 66 PRO HA 3.000 . 4.200 3.446 3.378 3.530 . 0 0 "[ . 1 . 2 ]" 1
356 1 56 ALA HA 1 66 PRO QB 3.000 . 4.200 2.973 2.769 3.494 . 0 0 "[ . 1 . 2 ]" 1
357 1 56 ALA HA 1 67 GLU H 3.400 . 5.000 3.889 3.838 4.023 . 0 0 "[ . 1 . 2 ]" 1
358 1 56 ALA MB 1 57 ALA H 3.000 . 4.200 2.627 2.547 2.913 . 0 0 "[ . 1 . 2 ]" 1
359 1 56 ALA MB 1 66 PRO QB 3.900 . 6.000 4.336 4.229 4.803 . 0 0 "[ . 1 . 2 ]" 1
360 1 56 ALA MB 1 67 GLU H 3.900 . 6.000 4.114 4.072 4.242 . 0 0 "[ . 1 . 2 ]" 1
361 1 56 ALA MB 1 69 VAL MG1 2.550 . 3.300 2.870 2.712 3.082 . 0 0 "[ . 1 . 2 ]" 1
362 1 56 ALA MB 1 69 VAL MG2 2.550 . 3.300 2.061 1.898 2.383 . 0 0 "[ . 1 . 2 ]" 1
363 1 56 ALA MB 1 74 TYR HA 3.000 . 4.200 3.018 2.874 3.217 . 0 0 "[ . 1 . 2 ]" 1
364 1 56 ALA MB 1 74 TYR QD 3.000 . 4.200 1.935 1.812 2.039 . 0 0 "[ . 1 . 2 ]" 1
365 1 57 ALA H 1 66 PRO HA 3.000 . 4.200 2.769 2.691 2.850 . 0 0 "[ . 1 . 2 ]" 1
366 1 57 ALA H 1 66 PRO QB 3.900 . 6.000 3.366 3.249 3.700 . 0 0 "[ . 1 . 2 ]" 1
367 1 57 ALA HA 1 58 ILE H 2.350 . 2.900 2.331 2.281 2.387 . 0 0 "[ . 1 . 2 ]" 1
368 1 57 ALA HA 1 63 ILE HB 3.000 . 4.200 4.028 3.955 4.230 0.030 21 0 "[ . 1 . 2 ]" 1
369 1 57 ALA HA 1 63 ILE MG 2.550 . 3.300 2.508 2.373 2.942 . 0 0 "[ . 1 . 2 ]" 1
370 1 57 ALA HA 1 66 PRO HA 2.250 . 2.700 2.144 2.005 2.363 . 0 0 "[ . 1 . 2 ]" 1
371 1 57 ALA HA 1 66 PRO QB 3.900 . 6.000 4.081 3.949 4.358 . 0 0 "[ . 1 . 2 ]" 1
372 1 57 ALA HA 1 67 GLU H 2.650 . 3.500 2.321 2.203 2.458 . 0 0 "[ . 1 . 2 ]" 1
373 1 57 ALA MB 1 58 ILE H 2.350 . 2.900 2.668 2.492 2.816 . 0 0 "[ . 1 . 2 ]" 1
374 1 57 ALA MB 1 59 PRO HD2 3.400 . 5.000 3.918 3.684 4.195 . 0 0 "[ . 1 . 2 ]" 1
375 1 57 ALA MB 1 59 PRO HD3 2.550 . 3.300 2.662 2.407 2.844 . 0 0 "[ . 1 . 2 ]" 1
376 1 57 ALA MB 1 64 THR HA 2.550 . 3.300 3.266 3.170 3.345 0.045 13 0 "[ . 1 . 2 ]" 1
377 1 57 ALA MB 1 66 PRO HA 2.550 . 3.300 2.117 1.967 2.531 . 0 0 "[ . 1 . 2 ]" 1
378 1 57 ALA MB 1 66 PRO QB 3.400 . 5.000 3.191 2.882 3.754 . 0 0 "[ . 1 . 2 ]" 1
379 1 57 ALA MB 1 66 PRO HG2 3.400 . 5.000 4.328 3.881 4.655 . 0 0 "[ . 1 . 2 ]" 1
380 1 57 ALA MB 1 66 PRO HG3 3.000 . 4.200 3.423 2.480 4.216 0.016 7 0 "[ . 1 . 2 ]" 1
381 1 57 ALA MB 1 67 GLU H 3.900 . 6.000 3.617 3.494 3.760 . 0 0 "[ . 1 . 2 ]" 1
382 1 58 ILE H 1 63 ILE H 3.900 . 6.000 4.007 3.926 4.148 . 0 0 "[ . 1 . 2 ]" 1
383 1 58 ILE H 1 63 ILE HB 2.350 . 2.900 2.015 1.914 2.250 . 0 0 "[ . 1 . 2 ]" 1
384 1 58 ILE H 1 63 ILE MD 3.400 . 5.000 3.535 3.388 3.685 . 0 0 "[ . 1 . 2 ]" 1
385 1 58 ILE H 1 63 ILE HG12 3.400 . 5.000 4.725 4.628 4.970 . 0 0 "[ . 1 . 2 ]" 1
386 1 58 ILE H 1 63 ILE MG 2.350 . 2.900 1.986 1.867 2.358 . 0 0 "[ . 1 . 2 ]" 1
387 1 58 ILE H 1 66 PRO HA 3.900 . 6.000 4.423 4.247 4.611 . 0 0 "[ . 1 . 2 ]" 1
388 1 58 ILE HB 1 63 ILE H 3.000 . 4.200 3.116 3.010 3.370 . 0 0 "[ . 1 . 2 ]" 1
389 1 58 ILE HB 1 63 ILE HB 2.250 . 2.700 1.916 1.862 1.964 . 0 0 "[ . 1 . 2 ]" 1
390 1 58 ILE HB 1 63 ILE MD 2.250 . 2.700 2.192 1.956 2.576 . 0 0 "[ . 1 . 2 ]" 1
391 1 58 ILE HB 1 63 ILE MG 2.550 . 3.300 3.398 3.348 3.444 0.144 1 0 "[ . 1 . 2 ]" 1
392 1 58 ILE MD 1 61 ARG QD 3.900 . 6.000 4.130 2.181 4.753 . 0 0 "[ . 1 . 2 ]" 1
393 1 58 ILE MD 1 63 ILE HB 3.400 . 5.000 3.377 3.149 3.485 . 0 0 "[ . 1 . 2 ]" 1
394 1 58 ILE MD 1 63 ILE MD 2.550 . 3.300 1.760 1.722 1.856 0.078 13 0 "[ . 1 . 2 ]" 1
395 1 58 ILE MD 1 63 ILE HG12 3.000 . 4.200 4.178 4.142 4.261 0.061 21 0 "[ . 1 . 2 ]" 1
396 1 58 ILE MD 1 63 ILE MG 3.400 . 5.000 3.137 2.958 3.216 . 0 0 "[ . 1 . 2 ]" 1
397 1 58 ILE MD 1 67 GLU HB2 3.900 . 6.000 3.088 2.919 3.195 . 0 0 "[ . 1 . 2 ]" 1
398 1 58 ILE MD 1 69 VAL HB 3.000 . 4.200 4.195 4.121 4.268 0.068 21 0 "[ . 1 . 2 ]" 1
399 1 58 ILE MD 1 69 VAL MG1 2.250 . 2.700 2.088 1.957 2.153 . 0 0 "[ . 1 . 2 ]" 1
400 1 58 ILE HG13 1 63 ILE HB 2.550 . 3.300 2.752 2.480 2.912 . 0 0 "[ . 1 . 2 ]" 1
401 1 58 ILE HG13 1 63 ILE MG 2.250 . 2.700 2.669 2.333 2.740 0.040 17 0 "[ . 1 . 2 ]" 1
402 1 59 PRO HA 1 60 MET H 2.650 . 3.500 3.443 3.404 3.504 0.004 21 0 "[ . 1 . 2 ]" 1
403 1 59 PRO HA 1 61 ARG H 3.000 . 4.200 4.352 4.155 4.385 0.185 5 0 "[ . 1 . 2 ]" 1
404 1 59 PRO HA 1 63 ILE H 2.650 . 3.500 3.226 2.886 3.362 . 0 0 "[ . 1 . 2 ]" 1
405 1 59 PRO HA 1 64 THR MG 3.400 . 5.000 3.008 2.611 3.104 . 0 0 "[ . 1 . 2 ]" 1
406 1 59 PRO HB2 1 60 MET H 3.000 . 4.200 3.757 3.403 3.855 . 0 0 "[ . 1 . 2 ]" 1
407 1 59 PRO HB2 1 64 THR MG 3.000 . 4.200 4.273 4.197 4.315 0.115 11 0 "[ . 1 . 2 ]" 1
408 1 59 PRO HB3 1 64 THR MG 3.000 . 4.200 3.306 2.858 3.404 . 0 0 "[ . 1 . 2 ]" 1
409 1 59 PRO HD2 1 77 LEU HB3 3.400 . 5.000 4.114 3.789 4.647 . 0 0 "[ . 1 . 2 ]" 1
410 1 59 PRO HD2 1 77 LEU MD2 3.000 . 4.200 3.129 2.643 3.844 . 0 0 "[ . 1 . 2 ]" 1
411 1 60 MET H 1 61 ARG H 3.400 . 5.000 2.153 2.009 2.506 . 0 0 "[ . 1 . 2 ]" 1
412 1 60 MET HA 1 61 ARG H 2.650 . 3.500 3.478 3.456 3.495 . 0 0 "[ . 1 . 2 ]" 1
413 1 60 MET QB 1 61 ARG H 3.000 . 4.200 2.593 2.556 2.789 . 0 0 "[ . 1 . 2 ]" 1
414 1 60 MET QB 1 77 LEU MD2 3.400 . 5.000 3.233 3.122 3.310 . 0 0 "[ . 1 . 2 ]" 1
415 1 60 MET HG3 1 77 LEU MD2 3.000 . 4.200 3.558 3.376 3.964 . 0 0 "[ . 1 . 2 ]" 1
416 1 61 ARG H 1 62 GLY H 2.650 . 3.500 2.593 2.471 2.920 . 0 0 "[ . 1 . 2 ]" 1
417 1 61 ARG H 1 63 ILE H 3.000 . 4.200 3.302 3.229 3.350 . 0 0 "[ . 1 . 2 ]" 1
418 1 61 ARG H 1 77 LEU MD2 3.000 . 4.200 4.169 4.074 4.219 0.019 21 0 "[ . 1 . 2 ]" 1
419 1 61 ARG HA 1 62 GLY H 2.650 . 3.500 3.154 2.922 3.242 . 0 0 "[ . 1 . 2 ]" 1
420 1 61 ARG HA 1 77 LEU MD2 3.900 . 6.000 6.010 5.754 6.086 0.086 2 0 "[ . 1 . 2 ]" 1
421 1 61 ARG HB2 1 62 GLY H 3.900 . 6.000 3.702 3.533 4.085 . 0 0 "[ . 1 . 2 ]" 1
422 1 61 ARG HB2 1 63 ILE H 3.000 . 4.200 3.244 3.044 3.735 . 0 0 "[ . 1 . 2 ]" 1
423 1 61 ARG HB2 1 63 ILE MD 2.550 . 3.300 2.546 2.411 2.849 . 0 0 "[ . 1 . 2 ]" 1
424 1 61 ARG HB3 1 63 ILE MD 2.550 . 3.300 3.322 3.203 3.361 0.061 5 0 "[ . 1 . 2 ]" 1
425 1 61 ARG QD 1 63 ILE MD 3.400 . 5.000 4.702 3.407 5.035 0.035 3 0 "[ . 1 . 2 ]" 1
426 1 61 ARG QD 1 77 LEU MD2 3.000 . 4.200 4.066 3.166 4.300 0.100 21 0 "[ . 1 . 2 ]" 1
427 1 61 ARG HG2 1 77 LEU MD2 3.000 . 4.200 3.663 3.450 4.347 0.147 11 0 "[ . 1 . 2 ]" 1
428 1 61 ARG HG3 1 77 LEU MD2 3.000 . 4.200 3.982 3.013 4.259 0.059 1 0 "[ . 1 . 2 ]" 1
429 1 62 GLY H 1 63 ILE H 2.650 . 3.500 2.419 2.307 2.687 . 0 0 "[ . 1 . 2 ]" 1
430 1 62 GLY QA 1 63 ILE H 2.650 . 3.500 2.903 2.839 2.926 . 0 0 "[ . 1 . 2 ]" 1
431 1 63 ILE HA 1 64 THR H 2.350 . 2.900 2.202 2.182 2.279 . 0 0 "[ . 1 . 2 ]" 1
432 1 63 ILE HA 1 65 GLU H 2.650 . 3.500 3.386 3.288 3.478 . 0 0 "[ . 1 . 2 ]" 1
433 1 63 ILE MG 1 64 THR H 3.000 . 4.200 3.313 3.223 3.512 . 0 0 "[ . 1 . 2 ]" 1
434 1 63 ILE MG 1 65 GLU H 2.350 . 2.900 2.663 2.521 2.777 . 0 0 "[ . 1 . 2 ]" 1
435 1 63 ILE MG 1 65 GLU QG 3.900 . 6.000 4.408 3.800 4.958 . 0 0 "[ . 1 . 2 ]" 1
436 1 63 ILE MG 1 66 PRO HA 3.000 . 4.200 3.832 3.677 4.281 0.081 21 0 "[ . 1 . 2 ]" 1
437 1 63 ILE MG 1 67 GLU H 3.000 . 4.200 3.339 3.210 3.605 . 0 0 "[ . 1 . 2 ]" 1
438 1 63 ILE MG 1 67 GLU HB2 2.550 . 3.300 2.353 2.260 2.446 . 0 0 "[ . 1 . 2 ]" 1
439 1 63 ILE MG 1 67 GLU HB3 2.550 . 3.300 3.436 3.366 3.490 0.190 13 0 "[ . 1 . 2 ]" 1
440 1 63 ILE MG 1 67 GLU HG2 2.550 . 3.300 2.329 1.897 3.149 . 0 0 "[ . 1 . 2 ]" 1
441 1 63 ILE MG 1 67 GLU HG3 2.550 . 3.300 1.916 1.837 1.982 . 0 0 "[ . 1 . 2 ]" 1
442 1 64 THR H 1 65 GLU H 2.650 . 3.500 2.348 2.288 2.564 . 0 0 "[ . 1 . 2 ]" 1
443 1 64 THR HA 1 65 GLU H 2.650 . 3.500 3.417 3.400 3.438 . 0 0 "[ . 1 . 2 ]" 1
444 1 64 THR HB 1 65 GLU H 3.000 . 4.200 4.064 3.972 4.188 . 0 0 "[ . 1 . 2 ]" 1
445 1 64 THR MG 1 65 GLU H 3.400 . 5.000 4.115 4.057 4.176 . 0 0 "[ . 1 . 2 ]" 1
446 1 66 PRO HA 1 67 GLU H 2.350 . 2.900 2.119 2.104 2.161 . 0 0 "[ . 1 . 2 ]" 1
447 1 66 PRO QB 1 67 GLU H 2.650 . 3.500 3.404 3.379 3.486 . 0 0 "[ . 1 . 2 ]" 1
448 1 67 GLU HA 1 68 ARG H 2.350 . 2.900 2.437 2.387 2.463 . 0 0 "[ . 1 . 2 ]" 1
449 1 67 GLU HB2 1 68 ARG H 2.650 . 3.500 3.546 3.525 3.629 0.129 21 0 "[ . 1 . 2 ]" 1
450 1 67 GLU HB3 1 68 ARG H 2.650 . 3.500 2.364 2.322 2.389 . 0 0 "[ . 1 . 2 ]" 1
451 1 67 GLU HG2 1 68 ARG H 3.900 . 6.000 4.566 3.993 4.857 . 0 0 "[ . 1 . 2 ]" 1
452 1 68 ARG HA 1 69 VAL H 2.350 . 2.900 2.127 2.113 2.148 . 0 0 "[ . 1 . 2 ]" 1
453 1 68 ARG HB2 1 69 VAL H 3.400 . 5.000 3.108 2.946 3.987 . 0 0 "[ . 1 . 2 ]" 1
454 1 69 VAL HA 1 70 CYS H 2.350 . 2.900 2.586 2.376 2.684 . 0 0 "[ . 1 . 2 ]" 1
455 1 69 VAL HA 1 73 CYS HB2 3.000 . 4.200 4.264 4.215 4.426 0.226 21 0 "[ . 1 . 2 ]" 1
456 1 69 VAL HB 1 70 CYS H 2.350 . 2.900 2.014 1.939 2.441 . 0 0 "[ . 1 . 2 ]" 1
457 1 69 VAL HB 1 73 CYS HB2 2.550 . 3.300 2.243 2.187 2.395 . 0 0 "[ . 1 . 2 ]" 1
458 1 69 VAL HB 1 73 CYS HB3 2.550 . 3.300 3.284 3.099 3.345 0.045 13 0 "[ . 1 . 2 ]" 1
459 1 69 VAL HB 1 74 TYR H 3.900 . 6.000 3.550 3.456 3.664 . 0 0 "[ . 1 . 2 ]" 1
460 1 69 VAL MG1 1 70 CYS H 3.000 . 4.200 3.522 3.458 3.651 . 0 0 "[ . 1 . 2 ]" 1
461 1 69 VAL MG1 1 73 CYS HB2 3.400 . 5.000 3.462 3.383 3.622 . 0 0 "[ . 1 . 2 ]" 1
462 1 69 VAL MG1 1 73 CYS HB3 3.000 . 4.200 3.513 3.148 3.642 . 0 0 "[ . 1 . 2 ]" 1
463 1 69 VAL MG2 1 70 CYS H 3.400 . 5.000 3.032 2.836 3.468 . 0 0 "[ . 1 . 2 ]" 1
464 1 69 VAL MG2 1 71 ASP HA 3.000 . 4.200 4.332 4.272 4.450 0.250 21 0 "[ . 1 . 2 ]" 1
465 1 69 VAL MG2 1 73 CYS HB2 3.400 . 5.000 3.370 3.243 3.502 . 0 0 "[ . 1 . 2 ]" 1
466 1 69 VAL MG2 1 73 CYS HB3 3.400 . 5.000 4.227 4.031 4.309 . 0 0 "[ . 1 . 2 ]" 1
467 1 69 VAL MG2 1 74 TYR H 3.000 . 4.200 2.982 2.881 3.083 . 0 0 "[ . 1 . 2 ]" 1
468 1 69 VAL MG2 1 74 TYR HA 2.250 . 2.700 2.555 2.381 2.662 . 0 0 "[ . 1 . 2 ]" 1
469 1 69 VAL MG2 1 74 TYR QB 2.250 . 2.700 1.910 1.841 1.993 . 0 0 "[ . 1 . 2 ]" 1
470 1 69 VAL MG2 1 74 TYR QD 3.000 . 4.200 2.349 2.178 2.726 . 0 0 "[ . 1 . 2 ]" 1
471 1 70 CYS H 1 73 CYS H 3.900 . 6.000 3.904 3.811 4.191 . 0 0 "[ . 1 . 2 ]" 1
472 1 70 CYS H 1 73 CYS HB2 2.650 . 3.500 2.525 2.367 2.830 . 0 0 "[ . 1 . 2 ]" 1
473 1 70 CYS H 1 73 CYS HB3 3.000 . 4.200 4.070 3.884 4.284 0.084 5 0 "[ . 1 . 2 ]" 1
474 1 70 CYS HA 1 71 ASP H 2.350 . 2.900 2.811 2.713 2.909 0.009 21 0 "[ . 1 . 2 ]" 1
475 1 70 CYS HB2 1 71 ASP H 2.350 . 2.900 2.210 2.127 2.270 . 0 0 "[ . 1 . 2 ]" 1
476 1 70 CYS HB2 1 72 ALA H 3.000 . 4.200 3.850 3.598 3.953 . 0 0 "[ . 1 . 2 ]" 1
477 1 70 CYS HB2 1 72 ALA MB 3.900 . 6.000 4.770 4.612 4.873 . 0 0 "[ . 1 . 2 ]" 1
478 1 70 CYS HB3 1 71 ASP H 2.650 . 3.500 3.580 3.533 3.624 0.124 18 0 "[ . 1 . 2 ]" 1
479 1 71 ASP HA 1 74 TYR H 3.400 . 5.000 3.652 3.583 3.787 . 0 0 "[ . 1 . 2 ]" 1
480 1 71 ASP HA 1 74 TYR QB 2.550 . 3.300 2.692 2.609 2.757 . 0 0 "[ . 1 . 2 ]" 1
481 1 71 ASP HA 1 74 TYR QD 3.900 . 6.000 4.279 3.689 4.472 . 0 0 "[ . 1 . 2 ]" 1
482 1 71 ASP QB 1 72 ALA H 2.650 . 3.500 2.760 2.409 3.464 . 0 0 "[ . 1 . 2 ]" 1
483 1 71 ASP QB 1 75 LEU MD1 3.900 . 6.000 3.567 3.418 4.120 . 0 0 "[ . 1 . 2 ]" 1
484 1 72 ALA H 1 73 CYS H 2.650 . 3.500 2.700 2.635 2.990 . 0 0 "[ . 1 . 2 ]" 1
485 1 72 ALA H 1 74 TYR H 3.900 . 6.000 4.071 4.020 4.099 . 0 0 "[ . 1 . 2 ]" 1
486 1 72 ALA H 1 75 LEU MD1 3.900 . 6.000 4.607 4.441 4.732 . 0 0 "[ . 1 . 2 ]" 1
487 1 72 ALA HA 1 73 CYS H 2.650 . 3.500 3.545 3.535 3.555 0.055 21 0 "[ . 1 . 2 ]" 1
488 1 72 ALA HA 1 75 LEU H 2.650 . 3.500 3.508 3.489 3.536 0.036 13 0 "[ . 1 . 2 ]" 1
489 1 72 ALA HA 1 75 LEU HB2 2.250 . 2.700 2.707 2.680 2.728 0.028 5 0 "[ . 1 . 2 ]" 1
490 1 72 ALA HA 1 75 LEU HB3 3.000 . 4.200 4.227 4.118 4.258 0.058 1 0 "[ . 1 . 2 ]" 1
491 1 72 ALA HA 1 75 LEU MD1 2.550 . 3.300 2.733 2.544 2.893 . 0 0 "[ . 1 . 2 ]" 1
492 1 72 ALA HA 1 75 LEU HG 3.400 . 5.000 4.452 3.941 4.615 . 0 0 "[ . 1 . 2 ]" 1
493 1 72 ALA MB 1 73 CYS H 2.350 . 2.900 2.520 2.287 2.640 . 0 0 "[ . 1 . 2 ]" 1
494 1 72 ALA MB 1 75 LEU H 3.900 . 6.000 4.560 4.426 4.594 . 0 0 "[ . 1 . 2 ]" 1
495 1 72 ALA MB 1 75 LEU HB2 3.000 . 4.200 4.122 4.069 4.167 . 0 0 "[ . 1 . 2 ]" 1
496 1 72 ALA MB 1 75 LEU MD1 3.900 . 6.000 3.962 3.859 4.134 . 0 0 "[ . 1 . 2 ]" 1
497 1 72 ALA MB 1 76 ALA H 3.900 . 6.000 4.397 4.192 4.578 . 0 0 "[ . 1 . 2 ]" 1
498 1 73 CYS H 1 74 TYR H 2.650 . 3.500 2.652 2.630 2.891 . 0 0 "[ . 1 . 2 ]" 1
499 1 73 CYS H 1 75 LEU H 3.900 . 6.000 4.069 4.030 4.112 . 0 0 "[ . 1 . 2 ]" 1
500 1 73 CYS HA 1 75 LEU HB2 3.900 . 6.000 5.051 4.955 5.122 . 0 0 "[ . 1 . 2 ]" 1
501 1 73 CYS HA 1 76 ALA H 2.650 . 3.500 3.294 2.982 3.366 . 0 0 "[ . 1 . 2 ]" 1
502 1 73 CYS HA 1 76 ALA MB 2.250 . 2.700 2.518 1.950 2.671 . 0 0 "[ . 1 . 2 ]" 1
503 1 73 CYS HA 1 77 LEU H 3.400 . 5.000 3.775 3.525 3.939 . 0 0 "[ . 1 . 2 ]" 1
504 1 73 CYS HA 1 77 LEU MD1 3.400 . 5.000 4.356 4.234 4.514 . 0 0 "[ . 1 . 2 ]" 1
505 1 73 CYS HB2 1 74 TYR H 2.650 . 3.500 2.616 2.579 2.721 . 0 0 "[ . 1 . 2 ]" 1
506 1 73 CYS HB2 1 77 LEU MD1 3.400 . 5.000 4.131 3.999 4.281 . 0 0 "[ . 1 . 2 ]" 1
507 1 73 CYS HB3 1 74 TYR H 3.000 . 4.200 3.761 3.662 3.823 . 0 0 "[ . 1 . 2 ]" 1
508 1 73 CYS HB3 1 76 ALA MB 3.900 . 6.000 4.276 3.757 4.451 . 0 0 "[ . 1 . 2 ]" 1
509 1 73 CYS HB3 1 77 LEU MD1 2.550 . 3.300 3.298 3.043 3.386 0.086 21 0 "[ . 1 . 2 ]" 1
510 1 74 TYR H 1 75 LEU H 2.650 . 3.500 2.656 2.568 2.681 . 0 0 "[ . 1 . 2 ]" 1
511 1 74 TYR H 1 76 ALA H 3.900 . 6.000 4.360 3.981 4.447 . 0 0 "[ . 1 . 2 ]" 1
512 1 74 TYR HA 1 75 LEU H 2.650 . 3.500 3.512 3.487 3.521 0.021 10 0 "[ . 1 . 2 ]" 1
513 1 74 TYR HA 1 77 LEU HB2 3.000 . 4.200 3.383 3.172 3.580 . 0 0 "[ . 1 . 2 ]" 1
514 1 74 TYR HA 1 77 LEU MD1 2.550 . 3.300 3.165 3.054 3.303 0.003 10 0 "[ . 1 . 2 ]" 1
515 1 74 TYR QB 1 75 LEU H 2.650 . 3.500 2.573 2.523 2.725 . 0 0 "[ . 1 . 2 ]" 1
516 1 74 TYR QD 1 75 LEU H 3.900 . 6.000 3.624 3.501 4.059 . 0 0 "[ . 1 . 2 ]" 1
517 1 75 LEU H 1 76 ALA H 2.350 . 2.900 2.698 2.358 2.734 . 0 0 "[ . 1 . 2 ]" 1
518 1 75 LEU HA 1 76 ALA H 2.650 . 3.500 3.568 3.524 3.578 0.078 15 0 "[ . 1 . 2 ]" 1
519 1 75 LEU HA 1 78 ARG H 3.000 . 4.200 3.351 3.238 3.552 . 0 0 "[ . 1 . 2 ]" 1
520 1 75 LEU HA 1 78 ARG HB2 2.550 . 3.300 2.661 2.103 3.231 . 0 0 "[ . 1 . 2 ]" 1
521 1 75 LEU HA 1 78 ARG HB3 3.000 . 4.200 2.495 1.830 4.182 . 0 0 "[ . 1 . 2 ]" 1
522 1 75 LEU HA 1 78 ARG HG2 3.400 . 5.000 4.344 3.713 5.032 0.032 13 0 "[ . 1 . 2 ]" 1
523 1 75 LEU HA 1 78 ARG HG3 3.000 . 4.200 4.170 3.546 4.385 0.185 1 0 "[ . 1 . 2 ]" 1
524 1 75 LEU HB2 1 76 ALA H 2.350 . 2.900 2.609 2.421 2.702 . 0 0 "[ . 1 . 2 ]" 1
525 1 75 LEU HB3 1 76 ALA H 2.350 . 2.900 3.051 3.001 3.160 0.260 21 0 "[ . 1 . 2 ]" 1
526 1 75 LEU HB3 1 78 ARG HD2 3.900 . 6.000 5.434 4.260 6.111 0.111 5 0 "[ . 1 . 2 ]" 1
527 1 75 LEU MD1 1 76 ALA H 3.400 . 5.000 4.367 4.247 4.466 . 0 0 "[ . 1 . 2 ]" 1
528 1 75 LEU HG 1 76 ALA H 3.400 . 5.000 4.723 4.544 4.778 . 0 0 "[ . 1 . 2 ]" 1
529 1 76 ALA H 1 77 LEU H 2.650 . 3.500 2.890 2.796 2.964 . 0 0 "[ . 1 . 2 ]" 1
530 1 76 ALA HA 1 77 LEU H 2.650 . 3.500 3.553 3.536 3.572 0.072 10 0 "[ . 1 . 2 ]" 1
531 1 76 ALA MB 1 77 LEU H 2.350 . 2.900 2.503 2.372 2.693 . 0 0 "[ . 1 . 2 ]" 1
532 1 77 LEU H 1 78 ARG H 2.350 . 2.900 2.512 2.449 2.625 . 0 0 "[ . 1 . 2 ]" 1
533 1 77 LEU HA 1 78 ARG H 2.650 . 3.500 3.500 3.480 3.516 0.016 18 0 "[ . 1 . 2 ]" 1
534 1 77 LEU HB2 1 78 ARG H 2.650 . 3.500 2.569 2.468 2.742 . 0 0 "[ . 1 . 2 ]" 1
535 1 77 LEU HB3 1 78 ARG H 2.650 . 3.500 3.593 3.553 3.652 0.152 5 0 "[ . 1 . 2 ]" 1
536 1 78 ARG H 1 79 SER H 3.000 . 4.200 2.728 2.509 2.780 . 0 0 "[ . 1 . 2 ]" 1
537 1 78 ARG HA 1 79 SER H 2.650 . 3.500 3.431 3.331 3.491 . 0 0 "[ . 1 . 2 ]" 1
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