NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394008 |
1r1f   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r1f
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 279
_Distance_constraint_stats_list.Viol_count 753
_Distance_constraint_stats_list.Viol_total 1556.512
_Distance_constraint_stats_list.Viol_max 0.850
_Distance_constraint_stats_list.Viol_rms 0.0489
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0139
_Distance_constraint_stats_list.Viol_average_violations_only 0.1034
_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 THR 4.494 0.850 19 2 "[ -. 1 . +2]"
1 2 PHE 10.143 0.268 12 0 "[ . 1 . 2]"
1 3 CYS 2.843 0.444 1 0 "[ . 1 . 2]"
1 4 GLY 2.760 0.187 10 0 "[ . 1 . 2]"
1 5 GLU 2.228 0.444 1 0 "[ . 1 . 2]"
1 6 THR 2.582 0.169 1 0 "[ . 1 . 2]"
1 7 CYS 3.396 0.169 1 0 "[ . 1 . 2]"
1 8 ARG 6.106 0.392 17 0 "[ . 1 . 2]"
1 9 VAL 5.397 0.392 17 0 "[ . 1 . 2]"
1 10 ILE 0.218 0.110 7 0 "[ . 1 . 2]"
1 11 PRO 5.665 0.295 17 0 "[ . 1 . 2]"
1 12 VAL 2.088 0.215 10 0 "[ . 1 . 2]"
1 13 CYS 3.948 0.248 7 0 "[ . 1 . 2]"
1 14 THR 2.191 0.215 10 0 "[ . 1 . 2]"
1 15 TYR 3.771 0.152 12 0 "[ . 1 . 2]"
1 16 SER 8.187 0.230 9 0 "[ . 1 . 2]"
1 17 ALA 5.007 0.240 9 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 10.012 0.244 3 0 "[ . 1 . 2]"
1 20 GLY 2.739 0.174 3 0 "[ . 1 . 2]"
1 21 CYS 5.613 0.240 9 0 "[ . 1 . 2]"
1 22 THR 7.238 0.594 20 4 "[ . 1 * - * +]"
1 23 CYS 9.968 0.594 20 4 "[ . 1 * - * +]"
1 24 ASP 2.116 0.271 17 0 "[ . 1 . 2]"
1 25 ASP 3.325 0.295 17 0 "[ . 1 . 2]"
1 26 ARG 2.298 0.474 6 0 "[ . 1 . 2]"
1 27 SER 2.797 0.474 6 0 "[ . 1 . 2]"
1 28 ASP 1.011 0.215 11 0 "[ . 1 . 2]"
1 29 GLY 4.408 0.347 19 0 "[ . 1 . 2]"
1 30 LEU 6.072 0.347 19 0 "[ . 1 . 2]"
1 31 CYS 1.847 0.202 20 0 "[ . 1 . 2]"
1 32 LYS 15.674 0.850 19 2 "[ -. 1 . +2]"
1 33 ARG 1.101 0.147 12 0 "[ . 1 . 2]"
1 34 ASN 6.773 0.244 3 0 "[ . 1 . 2]"
1 35 GLY 0.770 0.186 20 0 "[ . 1 . 2]"
1 36 ASP 0.775 0.186 20 0 "[ . 1 . 2]"
1 37 PRO 0.090 0.032 1 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 1 THR HA 1 32 LYS HB3 4.000 3.150 4.850 4.589 3.634 5.700 0.850 19 2 "[ -. 1 . +2]" 1
2 1 1 THR HA 1 33 ARG H 2.950 2.100 3.800 3.802 3.593 3.947 0.147 12 0 "[ . 1 . 2]" 1
3 1 1 THR HB 1 2 PHE HB2 4.700 3.050 6.350 5.842 4.785 6.388 0.038 14 0 "[ . 1 . 2]" 1
4 1 1 THR HB 1 32 LYS HD2 4.800 3.150 6.450 5.314 4.462 6.667 0.217 12 0 "[ . 1 . 2]" 1
5 1 1 THR HB 1 33 ARG HB3 4.650 3.000 6.300 5.601 4.078 6.395 0.095 14 0 "[ . 1 . 2]" 1
6 1 2 PHE H 1 3 CYS H 3.275 . 4.650 4.125 3.159 4.357 . 0 0 "[ . 1 . 2]" 1
7 1 2 PHE H 1 32 LYS H 4.375 . 6.950 6.438 4.572 6.932 . 0 0 "[ . 1 . 2]" 1
8 1 2 PHE H 1 32 LYS HD2 2.250 . 3.100 3.104 2.293 3.277 0.177 13 0 "[ . 1 . 2]" 1
9 1 2 PHE H 1 32 LYS HD3 3.150 . 4.500 3.417 1.652 4.570 0.148 17 0 "[ . 1 . 2]" 1
10 1 2 PHE H 1 32 LYS HE2 3.000 . 4.350 2.623 1.551 3.596 0.099 12 0 "[ . 1 . 2]" 1
11 1 2 PHE H 1 32 LYS HE3 3.000 . 4.350 3.859 2.894 4.460 0.110 7 0 "[ . 1 . 2]" 1
12 1 2 PHE H 1 32 LYS HG2 3.650 . 5.500 5.097 3.549 5.565 0.065 20 0 "[ . 1 . 2]" 1
13 1 2 PHE H 1 32 LYS HG3 4.000 . 6.350 4.381 1.981 5.484 . 0 0 "[ . 1 . 2]" 1
14 1 2 PHE HA 1 3 CYS H 2.000 . 2.500 2.143 2.091 2.234 . 0 0 "[ . 1 . 2]" 1
15 1 2 PHE HA 1 3 CYS QB 4.150 . 5.500 4.511 4.014 4.697 . 0 0 "[ . 1 . 2]" 1
16 1 2 PHE HA 1 32 LYS HA 2.275 . 2.750 2.771 2.245 2.921 0.171 13 0 "[ . 1 . 2]" 1
17 1 2 PHE HA 1 32 LYS HD2 3.000 . 4.350 3.360 2.232 4.161 . 0 0 "[ . 1 . 2]" 1
18 1 2 PHE HA 1 32 LYS HD3 4.150 . 6.500 3.159 2.172 4.517 . 0 0 "[ . 1 . 2]" 1
19 1 2 PHE HA 1 32 LYS HE2 2.450 . 3.000 3.144 3.091 3.268 0.268 12 0 "[ . 1 . 2]" 1
20 1 2 PHE HA 1 32 LYS HE3 2.675 . 3.550 3.484 3.102 3.785 0.235 13 0 "[ . 1 . 2]" 1
21 1 2 PHE HB2 1 32 LYS HA 4.375 . 6.950 4.816 4.278 4.997 . 0 0 "[ . 1 . 2]" 1
22 1 2 PHE HB2 1 32 LYS HD2 4.000 . 7.075 4.272 3.531 4.762 . 0 0 "[ . 1 . 2]" 1
23 1 2 PHE HB2 1 32 LYS HD3 4.875 . 7.950 4.270 3.695 5.355 . 0 0 "[ . 1 . 2]" 1
24 1 2 PHE HB2 1 32 LYS HE2 4.400 . 7.050 3.106 2.600 3.840 . 0 0 "[ . 1 . 2]" 1
25 1 2 PHE HB2 1 32 LYS HE3 3.650 . 5.500 3.741 2.986 4.313 . 0 0 "[ . 1 . 2]" 1
26 1 2 PHE HB3 1 32 LYS HA 3.650 . 5.500 5.396 4.761 5.552 0.052 5 0 "[ . 1 . 2]" 1
27 1 2 PHE HB3 1 32 LYS HD2 3.400 . 5.050 5.072 4.603 5.226 0.176 4 0 "[ . 1 . 2]" 1
28 1 2 PHE HB3 1 32 LYS HD3 4.150 . 6.500 5.213 4.351 6.446 . 0 0 "[ . 1 . 2]" 1
29 1 2 PHE HB3 1 32 LYS HE2 3.175 . 4.525 4.154 3.698 4.559 0.034 9 0 "[ . 1 . 2]" 1
30 1 2 PHE HB3 1 32 LYS HE3 3.650 . 5.500 5.090 4.358 5.576 0.076 15 0 "[ . 1 . 2]" 1
31 1 3 CYS H 1 4 GLY H 4.150 . 6.500 3.167 2.821 4.573 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS H 1 5 GLU H 4.400 . 7.000 4.896 4.312 5.367 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS H 1 32 LYS HA 3.000 . 4.600 2.792 2.268 3.045 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS H 1 33 ARG H 4.400 . 7.000 3.462 3.006 3.796 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS HA 1 4 GLY H 3.175 . 4.550 3.487 2.659 3.573 . 0 0 "[ . 1 . 2]" 1
36 1 3 CYS QB 1 4 GLY H 2.525 . 3.050 1.965 1.813 2.100 0.187 10 0 "[ . 1 . 2]" 1
37 1 3 CYS QB 1 4 GLY HA2 3.650 . 5.500 4.260 4.094 4.330 . 0 0 "[ . 1 . 2]" 1
38 1 3 CYS QB 1 4 GLY HA3 3.650 . 5.500 3.761 3.595 4.058 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS QB 1 5 GLU HB2 3.650 . 5.500 3.946 3.139 4.497 . 0 0 "[ . 1 . 2]" 1
40 1 3 CYS QB 1 5 GLU HB3 3.650 . 5.500 5.421 4.711 5.944 0.444 1 0 "[ . 1 . 2]" 1
41 1 3 CYS QB 1 16 SER HA 4.400 . 7.000 3.939 3.014 5.249 . 0 0 "[ . 1 . 2]" 1
42 1 3 CYS QB 1 16 SER HB2 3.015 . 4.230 2.937 2.330 3.328 . 0 0 "[ . 1 . 2]" 1
43 1 3 CYS QB 1 16 SER HB3 4.400 . 7.000 2.315 1.760 3.515 0.040 20 0 "[ . 1 . 2]" 1
44 1 3 CYS QB 1 21 CYS HB2 4.150 . 5.500 4.169 3.688 4.541 . 0 0 "[ . 1 . 2]" 1
45 1 3 CYS QB 1 33 ARG HA 3.400 . 5.000 3.876 2.353 4.406 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLY H 1 5 GLU H 2.525 2.100 2.950 2.152 1.989 2.564 0.111 8 0 "[ . 1 . 2]" 1
47 1 4 GLY H 1 5 GLU QG 3.650 . 5.500 4.461 3.403 5.031 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLY H 1 16 SER HB2 3.275 . 4.750 4.753 4.255 4.903 0.153 16 0 "[ . 1 . 2]" 1
49 1 4 GLY HA2 1 5 GLU H 3.275 . 4.750 3.413 2.763 3.553 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLY HA3 1 5 GLU H 3.275 . 4.750 2.863 2.705 3.546 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLU H 1 6 THR H 3.275 . 5.150 4.513 4.309 4.625 . 0 0 "[ . 1 . 2]" 1
52 1 5 GLU H 1 31 CYS H 4.400 . 7.000 5.391 3.860 6.191 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLU H 1 31 CYS HB2 4.400 . 7.000 3.548 2.824 4.195 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLU H 1 31 CYS HB3 3.675 . 5.550 4.438 4.071 4.809 . 0 0 "[ . 1 . 2]" 1
55 1 5 GLU HA 1 6 THR H 2.775 2.200 3.350 2.465 2.323 2.810 . 0 0 "[ . 1 . 2]" 1
56 1 5 GLU HB2 1 6 THR H 3.000 . 4.230 3.532 2.629 3.802 . 0 0 "[ . 1 . 2]" 1
57 1 5 GLU HB2 1 31 CYS HB2 3.075 . 4.950 3.654 2.757 4.176 . 0 0 "[ . 1 . 2]" 1
58 1 5 GLU HB3 1 6 THR H 2.900 . 4.250 2.306 1.842 2.627 . 0 0 "[ . 1 . 2]" 1
59 1 5 GLU HB3 1 31 CYS HB2 3.975 2.100 5.850 4.770 3.852 5.370 . 0 0 "[ . 1 . 2]" 1
60 1 5 GLU QG 1 6 THR H 3.345 . 4.890 3.731 3.164 4.154 . 0 0 "[ . 1 . 2]" 1
61 1 5 GLU QG 1 13 CYS HA 3.650 . 5.500 4.111 3.429 5.028 . 0 0 "[ . 1 . 2]" 1
62 1 5 GLU QG 1 17 ALA MB 4.675 2.800 6.550 6.178 5.168 6.572 0.022 10 0 "[ . 1 . 2]" 1
63 1 6 THR H 1 7 CYS H 4.500 2.400 6.600 4.114 4.026 4.290 . 0 0 "[ . 1 . 2]" 1
64 1 6 THR HA 1 7 CYS H 2.275 . 2.650 2.135 2.061 2.244 . 0 0 "[ . 1 . 2]" 1
65 1 6 THR HA 1 30 LEU HA 2.775 . 3.750 3.291 2.544 3.769 0.019 4 0 "[ . 1 . 2]" 1
66 1 6 THR HA 1 31 CYS HB3 4.500 2.400 6.600 5.197 4.641 6.113 . 0 0 "[ . 1 . 2]" 1
67 1 6 THR HB 1 7 CYS H 2.975 2.500 3.450 3.515 3.031 3.619 0.169 1 0 "[ . 1 . 2]" 1
68 1 6 THR HB 1 8 ARG H 3.500 . 5.600 3.501 3.064 4.615 . 0 0 "[ . 1 . 2]" 1
69 1 6 THR HB 1 8 ARG HD2 3.950 2.100 5.800 4.124 2.519 5.386 . 0 0 "[ . 1 . 2]" 1
70 1 6 THR HB 1 8 ARG HD3 2.950 2.100 3.800 3.339 2.090 3.911 0.111 7 0 "[ . 1 . 2]" 1
71 1 6 THR HB 1 30 LEU HA 3.950 2.100 5.800 4.402 3.815 5.350 . 0 0 "[ . 1 . 2]" 1
72 1 6 THR HB 1 30 LEU MD1 4.500 2.400 6.600 5.106 3.823 6.641 0.041 4 0 "[ . 1 . 2]" 1
73 1 6 THR HB 1 30 LEU MD2 4.500 2.400 6.600 5.096 2.972 6.692 0.092 7 0 "[ . 1 . 2]" 1
74 1 7 CYS H 1 8 ARG H 2.950 . 4.325 3.644 3.404 4.253 . 0 0 "[ . 1 . 2]" 1
75 1 7 CYS H 1 8 ARG HD3 4.300 2.010 6.590 5.795 4.105 6.672 0.082 13 0 "[ . 1 . 2]" 1
76 1 7 CYS HA 1 8 ARG H 2.325 . 2.850 2.441 2.158 2.590 . 0 0 "[ . 1 . 2]" 1
77 1 7 CYS HA 1 8 ARG HA 4.150 2.100 6.200 4.563 4.445 4.643 . 0 0 "[ . 1 . 2]" 1
78 1 7 CYS HA 1 9 VAL H 4.300 2.010 6.590 5.503 5.022 5.974 . 0 0 "[ . 1 . 2]" 1
79 1 7 CYS HA 1 10 ILE H 4.025 . 6.250 4.432 4.001 4.901 . 0 0 "[ . 1 . 2]" 1
80 1 7 CYS HA 1 13 CYS H 3.200 . 4.800 4.573 4.068 4.874 0.074 13 0 "[ . 1 . 2]" 1
81 1 7 CYS HB2 1 8 ARG H 4.300 2.010 6.590 4.251 3.718 4.364 . 0 0 "[ . 1 . 2]" 1
82 1 7 CYS HB2 1 11 PRO HA 3.250 . 4.925 2.143 1.540 2.598 0.035 7 0 "[ . 1 . 2]" 1
83 1 7 CYS HB2 1 12 VAL H 3.250 . 4.600 2.709 2.412 3.018 . 0 0 "[ . 1 . 2]" 1
84 1 7 CYS HB2 1 12 VAL HA 4.025 . 6.275 4.684 4.437 4.869 . 0 0 "[ . 1 . 2]" 1
85 1 7 CYS HB2 1 13 CYS H 3.500 . 5.600 4.382 4.126 4.630 . 0 0 "[ . 1 . 2]" 1
86 1 7 CYS HB2 1 13 CYS HA 3.800 . 5.900 5.921 5.493 6.021 0.121 10 0 "[ . 1 . 2]" 1
87 1 7 CYS HB3 1 8 ARG H 4.150 2.100 6.200 4.596 4.396 4.683 . 0 0 "[ . 1 . 2]" 1
88 1 7 CYS HB3 1 11 PRO HA 2.950 . 4.325 2.466 2.214 2.686 . 0 0 "[ . 1 . 2]" 1
89 1 7 CYS HB3 1 12 VAL H 2.950 . 4.300 2.495 2.377 2.848 . 0 0 "[ . 1 . 2]" 1
90 1 7 CYS HB3 1 13 CYS H 3.800 . 5.900 2.888 2.635 3.150 . 0 0 "[ . 1 . 2]" 1
91 1 7 CYS HB3 1 23 CYS QB 4.300 2.010 6.590 3.484 2.559 3.930 . 0 0 "[ . 1 . 2]" 1
92 1 8 ARG H 1 9 VAL H 3.025 . 4.250 3.556 3.036 3.985 . 0 0 "[ . 1 . 2]" 1
93 1 8 ARG HA 1 9 VAL H 3.150 . 4.375 3.373 3.192 3.525 . 0 0 "[ . 1 . 2]" 1
94 1 8 ARG HA 1 10 ILE H 4.150 2.800 5.500 4.402 3.989 5.112 . 0 0 "[ . 1 . 2]" 1
95 1 8 ARG HA 1 28 ASP HA 3.025 . 4.250 2.412 1.775 3.447 0.025 9 0 "[ . 1 . 2]" 1
96 1 8 ARG HA 1 28 ASP HB3 4.150 2.825 5.475 4.165 2.809 4.960 0.016 8 0 "[ . 1 . 2]" 1
97 1 8 ARG HA 1 29 GLY H 3.400 . 5.000 3.108 1.779 5.067 0.067 7 0 "[ . 1 . 2]" 1
98 1 8 ARG HB2 1 9 VAL H 2.275 . 2.750 2.017 1.524 3.106 0.356 3 0 "[ . 1 . 2]" 1
99 1 8 ARG HB2 1 10 ILE H 3.900 . 6.000 3.711 2.841 4.613 . 0 0 "[ . 1 . 2]" 1
100 1 8 ARG HB3 1 9 VAL H 2.275 . 2.750 2.389 1.483 3.142 0.392 17 0 "[ . 1 . 2]" 1
101 1 8 ARG HB3 1 10 ILE H 3.900 . 6.000 4.301 3.277 4.915 . 0 0 "[ . 1 . 2]" 1
102 1 8 ARG HG2 1 9 VAL H 4.175 . 6.550 3.677 2.096 4.417 . 0 0 "[ . 1 . 2]" 1
103 1 8 ARG HG3 1 9 VAL H 4.650 . 7.500 3.511 1.873 4.469 . 0 0 "[ . 1 . 2]" 1
104 1 9 VAL H 1 10 ILE H 2.375 . 2.950 2.420 2.172 2.817 . 0 0 "[ . 1 . 2]" 1
105 1 9 VAL H 1 10 ILE HG12 3.900 . 6.000 3.626 3.116 4.725 . 0 0 "[ . 1 . 2]" 1
106 1 9 VAL H 1 10 ILE HG13 3.900 . 6.000 4.421 3.779 5.743 . 0 0 "[ . 1 . 2]" 1
107 1 9 VAL H 1 28 ASP HA 5.000 2.750 7.250 5.017 4.214 6.159 . 0 0 "[ . 1 . 2]" 1
108 1 9 VAL HB 1 10 ILE H 3.400 . 5.000 3.867 2.638 4.359 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL HB 1 10 ILE MG 3.400 2.800 5.000 3.961 3.277 4.759 . 0 0 "[ . 1 . 2]" 1
110 1 10 ILE H 1 28 ASP HA 4.650 2.800 6.500 5.791 4.672 6.519 0.019 3 0 "[ . 1 . 2]" 1
111 1 10 ILE HA 1 11 PRO HD2 2.250 . 3.200 2.667 2.523 2.795 . 0 0 "[ . 1 . 2]" 1
112 1 10 ILE HA 1 11 PRO HD3 2.750 . 3.700 2.327 2.010 2.508 . 0 0 "[ . 1 . 2]" 1
113 1 10 ILE HA 1 11 PRO HG2 4.150 . 6.500 4.683 4.461 4.844 . 0 0 "[ . 1 . 2]" 1
114 1 10 ILE HA 1 11 PRO HG3 4.650 2.100 7.200 4.477 4.210 4.633 . 0 0 "[ . 1 . 2]" 1
115 1 10 ILE HG12 1 11 PRO HD3 3.400 . 5.000 4.899 4.745 5.110 0.110 7 0 "[ . 1 . 2]" 1
116 1 11 PRO HA 1 12 VAL H 2.650 . 3.500 2.732 2.588 2.897 . 0 0 "[ . 1 . 2]" 1
117 1 11 PRO HA 1 12 VAL HA 3.400 . 5.000 4.673 4.567 4.751 . 0 0 "[ . 1 . 2]" 1
118 1 11 PRO HB2 1 12 VAL H 2.750 . 3.700 2.065 1.744 2.490 0.056 4 0 "[ . 1 . 2]" 1
119 1 11 PRO HB3 1 12 VAL H 2.750 . 3.700 2.212 2.107 2.331 . 0 0 "[ . 1 . 2]" 1
120 1 11 PRO HG2 1 12 VAL H 3.150 . 4.500 4.208 3.987 4.497 . 0 0 "[ . 1 . 2]" 1
121 1 11 PRO HG2 1 13 CYS H 4.400 . 7.000 7.131 7.018 7.248 0.248 7 0 "[ . 1 . 2]" 1
122 1 11 PRO HG2 1 25 ASP HB2 2.650 . 3.500 3.632 3.536 3.795 0.295 17 0 "[ . 1 . 2]" 1
123 1 11 PRO HG3 1 12 VAL H 3.150 . 4.500 4.297 4.233 4.382 . 0 0 "[ . 1 . 2]" 1
124 1 11 PRO HG3 1 13 CYS H 4.400 . 7.000 6.880 6.513 7.030 0.030 8 0 "[ . 1 . 2]" 1
125 1 11 PRO HG3 1 25 ASP HB2 3.650 . 5.500 3.702 3.256 4.245 . 0 0 "[ . 1 . 2]" 1
126 1 12 VAL HA 1 13 CYS H 2.400 . 3.000 2.288 2.206 2.367 . 0 0 "[ . 1 . 2]" 1
127 1 12 VAL HA 1 13 CYS HA 4.150 . 6.500 4.554 4.508 4.620 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL HA 1 14 THR H 4.150 2.550 5.750 5.459 5.277 5.657 . 0 0 "[ . 1 . 2]" 1
129 1 12 VAL HB 1 14 THR H 3.400 . 5.000 5.102 5.047 5.215 0.215 10 0 "[ . 1 . 2]" 1
130 1 12 VAL HB 1 14 THR HB 4.650 . 7.500 6.188 4.558 6.872 . 0 0 "[ . 1 . 2]" 1
131 1 13 CYS H 1 14 THR H 3.400 . 5.000 4.327 4.101 4.428 . 0 0 "[ . 1 . 2]" 1
132 1 13 CYS H 1 23 CYS HB3 3.875 2.400 5.350 4.466 3.879 5.130 . 0 0 "[ . 1 . 2]" 1
133 1 13 CYS HA 1 15 TYR H 3.150 . 4.500 3.825 3.476 4.154 . 0 0 "[ . 1 . 2]" 1
134 1 13 CYS HA 1 17 ALA MB 4.250 . 7.100 4.969 4.866 5.158 . 0 0 "[ . 1 . 2]" 1
135 1 13 CYS HB2 1 14 THR H 4.250 . 7.100 4.226 4.137 4.316 . 0 0 "[ . 1 . 2]" 1
136 1 13 CYS HB2 1 15 TYR H 3.650 . 5.500 4.717 4.400 4.940 . 0 0 "[ . 1 . 2]" 1
137 1 13 CYS HB2 1 17 ALA H 3.325 . 4.850 3.962 3.021 4.590 . 0 0 "[ . 1 . 2]" 1
138 1 13 CYS HB2 1 17 ALA MB 4.150 . 6.500 4.009 3.284 4.433 . 0 0 "[ . 1 . 2]" 1
139 1 13 CYS HB3 1 14 THR H 4.650 . 7.500 3.909 3.566 4.152 . 0 0 "[ . 1 . 2]" 1
140 1 13 CYS HB3 1 15 TYR H 4.650 2.300 7.000 4.190 3.550 4.527 . 0 0 "[ . 1 . 2]" 1
141 1 13 CYS HB3 1 16 SER H 3.400 . 6.000 3.411 2.998 3.747 . 0 0 "[ . 1 . 2]" 1
142 1 13 CYS HB3 1 17 ALA H 3.875 2.400 5.350 4.661 3.903 5.219 . 0 0 "[ . 1 . 2]" 1
143 1 13 CYS HB3 1 17 ALA MB 4.150 2.800 5.500 5.054 4.625 5.277 . 0 0 "[ . 1 . 2]" 1
144 1 14 THR H 1 15 TYR H 3.400 . 5.000 2.580 2.401 2.736 . 0 0 "[ . 1 . 2]" 1
145 1 14 THR H 1 17 ALA H 4.100 . 6.200 4.673 4.394 5.044 . 0 0 "[ . 1 . 2]" 1
146 1 14 THR H 1 17 ALA MB 3.775 . 5.750 4.240 4.066 4.577 . 0 0 "[ . 1 . 2]" 1
147 1 14 THR HA 1 15 TYR H 3.275 2.800 3.750 3.526 3.404 3.597 . 0 0 "[ . 1 . 2]" 1
148 1 14 THR HA 1 16 SER H 4.275 . 6.750 4.645 4.495 4.881 . 0 0 "[ . 1 . 2]" 1
149 1 14 THR HA 1 17 ALA H 3.150 . 4.500 3.480 3.234 3.953 . 0 0 "[ . 1 . 2]" 1
150 1 14 THR HA 1 17 ALA MB 3.350 . 4.700 2.217 1.991 3.056 0.009 17 0 "[ . 1 . 2]" 1
151 1 14 THR HB 1 17 ALA MB 4.525 . 7.250 4.362 3.787 4.863 . 0 0 "[ . 1 . 2]" 1
152 1 14 THR MG 1 15 TYR H 3.875 2.400 5.350 3.631 2.312 4.387 0.088 18 0 "[ . 1 . 2]" 1
153 1 14 THR MG 1 15 TYR HA 4.125 . 6.350 4.163 3.410 5.393 . 0 0 "[ . 1 . 2]" 1
154 1 15 TYR H 1 16 SER H 2.150 . 2.400 2.477 2.331 2.540 0.140 8 0 "[ . 1 . 2]" 1
155 1 15 TYR H 1 17 ALA H 3.050 2.600 3.500 3.581 3.499 3.652 0.152 12 0 "[ . 1 . 2]" 1
156 1 15 TYR H 1 17 ALA MB 3.850 . 5.700 4.185 3.899 4.514 . 0 0 "[ . 1 . 2]" 1
157 1 15 TYR H 1 18 ALA H 4.650 . 7.500 5.730 5.318 6.049 . 0 0 "[ . 1 . 2]" 1
158 1 15 TYR HA 1 16 SER H 2.650 . 3.500 3.506 3.484 3.536 0.036 13 0 "[ . 1 . 2]" 1
159 1 15 TYR HA 1 17 ALA H 4.200 . 6.400 3.783 3.672 4.001 . 0 0 "[ . 1 . 2]" 1
160 1 15 TYR HA 1 18 ALA H 3.650 . 5.500 4.561 3.847 5.175 . 0 0 "[ . 1 . 2]" 1
161 1 15 TYR HA 1 18 ALA MB 4.150 . 6.500 4.716 3.793 5.564 . 0 0 "[ . 1 . 2]" 1
162 1 15 TYR HB2 1 16 SER H 2.950 2.100 3.800 3.717 2.927 3.877 0.077 15 0 "[ . 1 . 2]" 1
163 1 15 TYR HB3 1 16 SER H 4.275 . 6.750 2.465 2.279 2.909 . 0 0 "[ . 1 . 2]" 1
164 1 16 SER H 1 17 ALA H 2.500 2.400 2.600 2.530 2.432 2.640 0.040 14 0 "[ . 1 . 2]" 1
165 1 16 SER H 1 17 ALA MB 4.150 2.800 5.500 4.112 3.963 4.311 . 0 0 "[ . 1 . 2]" 1
166 1 16 SER HA 1 18 ALA H 3.750 . 5.600 3.484 3.278 3.780 . 0 0 "[ . 1 . 2]" 1
167 1 16 SER HA 1 18 ALA MB 3.400 . 5.000 3.904 3.655 4.109 . 0 0 "[ . 1 . 2]" 1
168 1 16 SER HA 1 19 LEU HB3 3.750 . 5.600 5.722 5.602 5.830 0.230 9 0 "[ . 1 . 2]" 1
169 1 16 SER HA 1 19 LEU MD1 4.165 . 6.530 4.473 3.862 5.990 . 0 0 "[ . 1 . 2]" 1
170 1 16 SER HA 1 19 LEU QD 3.750 . 5.600 3.899 3.569 4.114 . 0 0 "[ . 1 . 2]" 1
171 1 16 SER HA 1 19 LEU MD2 4.165 . 6.530 4.375 3.683 4.621 . 0 0 "[ . 1 . 2]" 1
172 1 16 SER HA 1 19 LEU HG 4.850 . 7.700 6.660 5.951 6.855 . 0 0 "[ . 1 . 2]" 1
173 1 16 SER HA 1 21 CYS H 4.650 . 7.500 5.332 4.984 6.326 . 0 0 "[ . 1 . 2]" 1
174 1 16 SER HA 1 21 CYS HB2 4.165 . 6.530 4.357 4.131 4.865 . 0 0 "[ . 1 . 2]" 1
175 1 16 SER HA 1 21 CYS HB3 3.650 . 5.500 5.483 5.278 5.711 0.211 14 0 "[ . 1 . 2]" 1
176 1 16 SER HB2 1 17 ALA H 4.650 . 7.500 3.588 2.982 4.356 . 0 0 "[ . 1 . 2]" 1
177 1 16 SER HB2 1 21 CYS HB2 3.650 2.800 4.500 2.890 2.606 3.510 0.194 1 0 "[ . 1 . 2]" 1
178 1 16 SER HB2 1 21 CYS HB3 3.650 2.800 4.500 3.367 3.030 3.938 . 0 0 "[ . 1 . 2]" 1
179 1 16 SER HB3 1 17 ALA H 3.400 . 5.000 4.305 4.066 4.489 . 0 0 "[ . 1 . 2]" 1
180 1 16 SER HB3 1 21 CYS HB2 3.650 2.800 4.500 3.214 2.772 4.280 0.028 11 0 "[ . 1 . 2]" 1
181 1 16 SER HB3 1 21 CYS HB3 3.650 2.800 4.500 3.707 3.251 4.642 0.142 1 0 "[ . 1 . 2]" 1
182 1 17 ALA H 1 18 ALA H 2.450 . 2.900 2.667 2.575 2.739 . 0 0 "[ . 1 . 2]" 1
183 1 17 ALA HA 1 21 CYS H 3.400 2.300 4.500 3.094 2.431 4.527 0.027 16 0 "[ . 1 . 2]" 1
184 1 17 ALA HA 1 21 CYS HB2 4.500 2.400 6.600 3.027 2.851 3.380 . 0 0 "[ . 1 . 2]" 1
185 1 17 ALA HA 1 21 CYS HB3 3.300 2.200 4.400 4.561 4.436 4.640 0.240 9 0 "[ . 1 . 2]" 1
186 1 17 ALA MB 1 18 ALA HA 4.000 3.150 4.850 3.884 3.789 3.967 . 0 0 "[ . 1 . 2]" 1
187 1 17 ALA MB 1 20 GLY H 4.200 2.600 5.800 4.044 3.893 4.169 . 0 0 "[ . 1 . 2]" 1
188 1 18 ALA H 1 19 LEU H 2.650 . 3.600 2.717 2.624 2.805 . 0 0 "[ . 1 . 2]" 1
189 1 18 ALA HA 1 19 LEU H 2.650 . 3.600 3.510 3.483 3.528 . 0 0 "[ . 1 . 2]" 1
190 1 19 LEU H 1 20 GLY H 2.350 . 2.700 2.402 2.222 2.532 . 0 0 "[ . 1 . 2]" 1
191 1 19 LEU H 1 21 CYS H 3.250 . 4.500 3.707 3.393 4.441 . 0 0 "[ . 1 . 2]" 1
192 1 19 LEU HA 1 20 GLY H 2.650 . 3.500 3.355 3.298 3.445 . 0 0 "[ . 1 . 2]" 1
193 1 19 LEU HA 1 21 CYS H 4.400 2.200 6.600 4.685 4.329 4.980 . 0 0 "[ . 1 . 2]" 1
194 1 19 LEU HB2 1 20 GLY H 3.000 . 4.850 3.336 3.071 3.524 . 0 0 "[ . 1 . 2]" 1
195 1 19 LEU HB3 1 20 GLY H 2.750 . 3.600 3.678 3.433 3.774 0.174 3 0 "[ . 1 . 2]" 1
196 1 19 LEU HB3 1 21 CYS H 2.900 . 4.000 3.500 2.701 4.013 0.013 12 0 "[ . 1 . 2]" 1
197 1 19 LEU HG 1 20 GLY H 3.650 . 5.500 5.311 5.203 5.527 0.027 15 0 "[ . 1 . 2]" 1
198 1 19 LEU HG 1 34 ASN HB3 3.400 . 5.000 5.134 4.923 5.212 0.212 9 0 "[ . 1 . 2]" 1
199 1 19 LEU HG 1 34 ASN HD22 4.100 2.100 6.100 6.250 6.103 6.344 0.244 3 0 "[ . 1 . 2]" 1
200 1 20 GLY H 1 21 CYS H 2.650 . 3.500 2.335 1.965 3.171 . 0 0 "[ . 1 . 2]" 1
201 1 20 GLY HA2 1 21 CYS H 2.750 . 3.600 2.997 2.744 3.505 . 0 0 "[ . 1 . 2]" 1
202 1 20 GLY HA2 1 34 ASN HD22 3.025 . 4.250 4.280 4.076 4.346 0.096 16 0 "[ . 1 . 2]" 1
203 1 20 GLY HA3 1 21 CYS H 2.750 . 3.600 3.274 2.541 3.492 . 0 0 "[ . 1 . 2]" 1
204 1 20 GLY HA3 1 34 ASN HD22 3.025 . 4.250 2.866 2.498 3.134 . 0 0 "[ . 1 . 2]" 1
205 1 21 CYS H 1 22 THR H 3.450 . 5.100 4.335 3.752 4.591 . 0 0 "[ . 1 . 2]" 1
206 1 21 CYS HA 1 22 THR H 2.550 2.100 3.000 2.130 2.065 2.199 0.035 20 0 "[ . 1 . 2]" 1
207 1 21 CYS HA 1 32 LYS H 4.800 2.700 6.900 4.358 3.864 5.245 . 0 0 "[ . 1 . 2]" 1
208 1 21 CYS HA 1 33 ARG H 3.900 . 6.000 4.814 4.449 5.521 . 0 0 "[ . 1 . 2]" 1
209 1 21 CYS HA 1 34 ASN HA 3.900 . 6.000 5.463 4.528 5.918 . 0 0 "[ . 1 . 2]" 1
210 1 21 CYS HB2 1 22 THR H 3.450 . 5.100 4.432 4.148 4.589 . 0 0 "[ . 1 . 2]" 1
211 1 21 CYS HB3 1 22 THR H 4.100 2.150 6.050 3.542 2.960 3.941 . 0 0 "[ . 1 . 2]" 1
212 1 22 THR H 1 23 CYS H 3.200 2.100 4.300 3.910 2.509 4.404 0.104 4 0 "[ . 1 . 2]" 1
213 1 22 THR H 1 32 LYS H 2.650 . 3.500 3.517 3.084 3.726 0.226 5 0 "[ . 1 . 2]" 1
214 1 22 THR H 1 33 ARG H 3.650 . 5.500 5.086 4.394 5.508 0.008 11 0 "[ . 1 . 2]" 1
215 1 22 THR HB 1 23 CYS H 2.650 2.300 3.000 3.268 3.046 3.594 0.594 20 4 "[ . 1 * - * +]" 1
216 1 23 CYS H 1 24 ASP H 3.150 . 4.500 4.253 3.735 4.614 0.114 20 0 "[ . 1 . 2]" 1
217 1 23 CYS HA 1 24 ASP H 2.550 2.200 2.900 2.703 2.183 3.171 0.271 17 0 "[ . 1 . 2]" 1
218 1 23 CYS HA 1 24 ASP HB2 3.900 . 6.000 4.570 4.142 5.837 . 0 0 "[ . 1 . 2]" 1
219 1 23 CYS HA 1 24 ASP HB3 3.900 . 6.000 4.863 4.412 5.881 . 0 0 "[ . 1 . 2]" 1
220 1 23 CYS HA 1 31 CYS HA 2.250 . 2.700 2.349 1.841 2.562 . 0 0 "[ . 1 . 2]" 1
221 1 23 CYS HA 1 31 CYS HB2 3.540 . 5.280 5.306 4.833 5.482 0.202 20 0 "[ . 1 . 2]" 1
222 1 24 ASP H 1 30 LEU H 3.025 . 4.250 3.183 2.233 3.902 . 0 0 "[ . 1 . 2]" 1
223 1 24 ASP HA 1 25 ASP HB2 3.900 . 6.000 5.288 5.040 5.586 . 0 0 "[ . 1 . 2]" 1
224 1 24 ASP QB 1 32 LYS H 4.250 . 6.540 6.153 5.465 6.553 0.013 7 0 "[ . 1 . 2]" 1
225 1 24 ASP HB2 1 25 ASP H 3.150 . 4.500 3.546 2.530 3.886 . 0 0 "[ . 1 . 2]" 1
226 1 24 ASP HB2 1 30 LEU H 3.900 . 6.000 4.349 2.136 5.913 . 0 0 "[ . 1 . 2]" 1
227 1 24 ASP HB3 1 25 ASP H 3.150 . 4.500 2.322 1.787 3.748 0.013 12 0 "[ . 1 . 2]" 1
228 1 24 ASP HB3 1 30 LEU H 4.250 . 6.550 3.566 2.925 4.550 . 0 0 "[ . 1 . 2]" 1
229 1 25 ASP H 1 26 ARG H 2.950 2.030 3.870 3.713 3.312 4.004 0.134 15 0 "[ . 1 . 2]" 1
230 1 25 ASP H 1 30 LEU H 2.950 . 3.900 3.410 2.636 4.018 0.118 6 0 "[ . 1 . 2]" 1
231 1 25 ASP HA 1 26 ARG H 2.750 . 3.700 1.938 1.866 2.044 . 0 0 "[ . 1 . 2]" 1
232 1 25 ASP HA 1 26 ARG HB2 3.400 . 5.000 4.354 3.949 5.018 0.018 14 0 "[ . 1 . 2]" 1
233 1 25 ASP HA 1 28 ASP HA 4.150 . 6.500 4.066 3.390 4.700 . 0 0 "[ . 1 . 2]" 1
234 1 25 ASP HA 1 29 GLY H 3.650 . 5.500 4.257 2.298 5.524 0.024 7 0 "[ . 1 . 2]" 1
235 1 25 ASP HA 1 30 LEU H 4.150 . 6.500 4.777 3.914 5.764 . 0 0 "[ . 1 . 2]" 1
236 1 26 ARG HA 1 27 SER H 2.650 . 3.500 2.701 2.022 3.458 . 0 0 "[ . 1 . 2]" 1
237 1 26 ARG HA 1 27 SER HB2 3.650 . 5.500 4.706 4.403 5.597 0.097 6 0 "[ . 1 . 2]" 1
238 1 26 ARG HA 1 27 SER HB3 3.650 . 5.500 5.256 4.558 5.974 0.474 6 0 "[ . 1 . 2]" 1
239 1 27 SER HA 1 28 ASP H 2.650 . 3.500 2.924 2.494 3.479 . 0 0 "[ . 1 . 2]" 1
240 1 27 SER HA 1 28 ASP HB2 4.150 2.800 5.500 4.529 4.147 4.812 . 0 0 "[ . 1 . 2]" 1
241 1 27 SER HA 1 28 ASP HB3 4.150 2.800 5.500 5.247 4.376 5.715 0.215 11 0 "[ . 1 . 2]" 1
242 1 28 ASP HA 1 29 GLY H 3.150 . 4.500 2.464 2.162 3.556 . 0 0 "[ . 1 . 2]" 1
243 1 28 ASP HA 1 29 GLY HA3 3.650 . 5.500 4.350 4.260 4.643 . 0 0 "[ . 1 . 2]" 1
244 1 29 GLY H 1 30 LEU H 3.650 . 5.500 3.945 2.991 4.426 . 0 0 "[ . 1 . 2]" 1
245 1 29 GLY HA2 1 30 LEU H 2.650 . 3.500 3.151 2.880 3.522 0.022 17 0 "[ . 1 . 2]" 1
246 1 29 GLY HA3 1 30 LEU H 2.650 . 3.500 2.134 2.059 2.339 . 0 0 "[ . 1 . 2]" 1
247 1 29 GLY HA3 1 30 LEU HB2 3.150 . 4.500 4.342 4.172 4.544 0.044 8 0 "[ . 1 . 2]" 1
248 1 29 GLY HA3 1 30 LEU HB3 3.150 . 4.500 4.711 4.507 4.847 0.347 19 0 "[ . 1 . 2]" 1
249 1 30 LEU H 1 31 CYS H 3.125 . 4.350 4.013 3.556 4.202 . 0 0 "[ . 1 . 2]" 1
250 1 30 LEU HA 1 31 CYS H 2.375 . 2.750 2.194 2.152 2.257 . 0 0 "[ . 1 . 2]" 1
251 1 30 LEU HB2 1 32 LYS HE2 4.250 2.400 6.100 5.601 4.516 6.292 0.192 13 0 "[ . 1 . 2]" 1
252 1 30 LEU HB2 1 32 LYS HE3 4.250 2.400 6.100 4.838 4.401 5.371 . 0 0 "[ . 1 . 2]" 1
253 1 30 LEU HB3 1 32 LYS HE2 4.850 3.000 6.700 4.185 2.872 4.950 0.128 7 0 "[ . 1 . 2]" 1
254 1 30 LEU HB3 1 32 LYS HE3 4.850 3.000 6.700 3.334 2.921 3.744 0.079 17 0 "[ . 1 . 2]" 1
255 1 30 LEU HG 1 31 CYS H 4.650 2.800 6.500 4.012 2.841 5.384 . 0 0 "[ . 1 . 2]" 1
256 1 31 CYS HA 1 32 LYS H 2.550 2.100 3.000 2.204 2.165 2.249 . 0 0 "[ . 1 . 2]" 1
257 1 31 CYS HB2 1 32 LYS H 3.150 . 4.500 4.071 3.800 4.335 . 0 0 "[ . 1 . 2]" 1
258 1 31 CYS HB3 1 32 LYS H 2.950 . 4.300 3.133 2.806 3.650 . 0 0 "[ . 1 . 2]" 1
259 1 32 LYS HA 1 33 ARG H 2.250 . 2.600 2.204 2.118 2.290 . 0 0 "[ . 1 . 2]" 1
260 1 32 LYS HA 1 37 PRO HA 3.870 . 5.840 4.385 4.003 4.570 . 0 0 "[ . 1 . 2]" 1
261 1 32 LYS QD 1 37 PRO HA 4.240 . 6.680 4.842 4.240 5.617 . 0 0 "[ . 1 . 2]" 1
262 1 33 ARG H 1 37 PRO HA 3.165 2.200 4.130 2.544 2.212 2.882 . 0 0 "[ . 1 . 2]" 1
263 1 33 ARG HA 1 34 ASN H 2.650 . 3.500 2.900 2.732 3.160 . 0 0 "[ . 1 . 2]" 1
264 1 34 ASN H 1 35 GLY H 3.400 . 5.000 4.309 4.234 4.363 . 0 0 "[ . 1 . 2]" 1
265 1 34 ASN H 1 36 ASP H 2.650 . 3.500 3.245 3.002 3.505 0.005 2 0 "[ . 1 . 2]" 1
266 1 34 ASN H 1 37 PRO HA 3.150 . 4.500 3.243 3.055 3.511 . 0 0 "[ . 1 . 2]" 1
267 1 34 ASN HA 1 35 GLY H 2.250 . 2.700 2.319 2.276 2.378 . 0 0 "[ . 1 . 2]" 1
268 1 34 ASN HA 1 37 PRO HA 3.150 . 4.500 3.386 3.163 3.652 . 0 0 "[ . 1 . 2]" 1
269 1 34 ASN HB3 1 37 PRO HG2 3.400 . 5.000 4.791 4.481 5.032 0.032 1 0 "[ . 1 . 2]" 1
270 1 35 GLY H 1 36 ASP H 2.400 . 3.000 3.038 2.992 3.186 0.186 20 0 "[ . 1 . 2]" 1
271 1 35 GLY HA2 1 36 ASP H 2.650 . 3.500 3.440 3.426 3.465 . 0 0 "[ . 1 . 2]" 1
272 1 35 GLY HA3 1 36 ASP H 2.650 . 3.500 2.640 2.542 2.671 . 0 0 "[ . 1 . 2]" 1
273 1 36 ASP H 1 37 PRO HA 3.400 . 5.000 3.931 3.836 4.030 . 0 0 "[ . 1 . 2]" 1
274 1 36 ASP HA 1 37 PRO HB2 3.900 . 6.000 4.969 4.748 5.126 . 0 0 "[ . 1 . 2]" 1
275 1 36 ASP HA 1 37 PRO HB3 3.900 . 6.000 5.905 5.825 5.996 . 0 0 "[ . 1 . 2]" 1
276 1 36 ASP HA 1 37 PRO HD2 2.650 . 3.500 2.932 2.712 3.086 . 0 0 "[ . 1 . 2]" 1
277 1 36 ASP HA 1 37 PRO HD3 2.650 . 3.500 2.727 2.597 2.949 . 0 0 "[ . 1 . 2]" 1
278 1 36 ASP HA 1 37 PRO HG2 4.150 . 6.500 5.016 4.917 5.160 . 0 0 "[ . 1 . 2]" 1
279 1 36 ASP HA 1 37 PRO HG3 4.150 . 6.500 4.764 4.648 4.958 . 0 0 "[ . 1 . 2]" 1
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