NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
481207 |
1b3c   |
4279 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b3c
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 756
_Distance_constraint_stats_list.Viol_count 1168
_Distance_constraint_stats_list.Viol_total 2429.934
_Distance_constraint_stats_list.Viol_max 0.503
_Distance_constraint_stats_list.Viol_rms 0.0175
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0520
_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 LYS 0.018 0.011 23 0 "[ . 1 . 2 . 3 . 4]"
1 2 ASP 0.632 0.100 38 0 "[ . 1 . 2 . 3 . 4]"
1 3 GLY 0.479 0.073 33 0 "[ . 1 . 2 . 3 . 4]"
1 4 TYR 3.249 0.135 36 0 "[ . 1 . 2 . 3 . 4]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 VAL 2.280 0.084 2 0 "[ . 1 . 2 . 3 . 4]"
1 7 GLU 0.849 0.065 36 0 "[ . 1 . 2 . 3 . 4]"
1 8 LYS 0.039 0.039 36 0 "[ . 1 . 2 . 3 . 4]"
1 9 THR 1.371 0.092 18 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLY 0.210 0.034 27 0 "[ . 1 . 2 . 3 . 4]"
1 11 CYS 0.429 0.118 2 0 "[ . 1 . 2 . 3 . 4]"
1 12 LYS 4.250 0.263 7 0 "[ . 1 . 2 . 3 . 4]"
1 13 LYS 2.130 0.263 7 0 "[ . 1 . 2 . 3 . 4]"
1 14 THR 0.640 0.049 22 0 "[ . 1 . 2 . 3 . 4]"
1 15 CYS 0.733 0.085 36 0 "[ . 1 . 2 . 3 . 4]"
1 16 TYR 0.175 0.085 36 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 LEU 0.312 0.107 27 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLY 3.179 0.169 6 0 "[ . 1 . 2 . 3 . 4]"
1 20 GLU 3.140 0.169 6 0 "[ . 1 . 2 . 3 . 4]"
1 21 ASN 0.980 0.121 22 0 "[ . 1 . 2 . 3 . 4]"
1 22 ASP 1.907 0.256 22 0 "[ . 1 . 2 . 3 . 4]"
1 23 PHE 0.145 0.048 19 0 "[ . 1 . 2 . 3 . 4]"
1 24 CYS 1.090 0.046 18 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASN 0.872 0.256 22 0 "[ . 1 . 2 . 3 . 4]"
1 26 ARG 0.438 0.196 22 0 "[ . 1 . 2 . 3 . 4]"
1 27 GLU 0.816 0.069 40 0 "[ . 1 . 2 . 3 . 4]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 LYS 0.124 0.068 3 0 "[ . 1 . 2 . 3 . 4]"
1 30 TRP 1.762 0.248 40 0 "[ . 1 . 2 . 3 . 4]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 HIS 13.715 0.503 22 2 "[ . 1 . 2 + .- 3 . 4]"
1 33 ILE 0.745 0.142 16 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 1.947 0.142 16 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLY 1.620 0.074 19 0 "[ . 1 . 2 . 3 . 4]"
1 36 SER 1.353 0.138 19 0 "[ . 1 . 2 . 3 . 4]"
1 37 TYR 3.787 0.330 22 0 "[ . 1 . 2 . 3 . 4]"
1 38 GLY 0.279 0.048 15 0 "[ . 1 . 2 . 3 . 4]"
1 39 TYR 0.138 0.060 10 0 "[ . 1 . 2 . 3 . 4]"
1 40 CYS 0.324 0.121 22 0 "[ . 1 . 2 . 3 . 4]"
1 41 TYR 0.028 0.028 4 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 PHE 0.206 0.060 19 0 "[ . 1 . 2 . 3 . 4]"
1 44 GLY 0.581 0.049 22 0 "[ . 1 . 2 . 3 . 4]"
1 45 CYS 0.420 0.035 31 0 "[ . 1 . 2 . 3 . 4]"
1 46 TYR 1.340 0.091 24 0 "[ . 1 . 2 . 3 . 4]"
1 47 CYS 1.830 0.135 36 0 "[ . 1 . 2 . 3 . 4]"
1 48 GLU 0.117 0.040 10 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLY 1.309 0.090 38 0 "[ . 1 . 2 . 3 . 4]"
1 50 LEU 2.402 0.140 34 0 "[ . 1 . 2 . 3 . 4]"
1 51 PRO 0.060 0.027 6 0 "[ . 1 . 2 . 3 . 4]"
1 52 ASP 0.156 0.027 6 0 "[ . 1 . 2 . 3 . 4]"
1 53 SER 0.293 0.086 24 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLN 0.088 0.027 6 0 "[ . 1 . 2 . 3 . 4]"
1 56 THR 1.567 0.120 14 0 "[ . 1 . 2 . 3 . 4]"
1 57 TRP 4.313 0.119 32 0 "[ . 1 . 2 . 3 . 4]"
1 58 PRO 0.050 0.029 30 0 "[ . 1 . 2 . 3 . 4]"
1 59 LEU 1.383 0.083 14 0 "[ . 1 . 2 . 3 . 4]"
1 60 PRO 3.239 0.129 2 0 "[ . 1 . 2 . 3 . 4]"
1 61 ASN 6.252 0.196 2 0 "[ . 1 . 2 . 3 . 4]"
1 62 LYS 3.873 0.196 2 0 "[ . 1 . 2 . 3 . 4]"
1 63 THR 2.840 0.250 14 0 "[ . 1 . 2 . 3 . 4]"
1 64 CYS 2.726 0.250 14 0 "[ . 1 . 2 . 3 . 4]"
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 LYS HA 1 2 ASP H 3.000 . 3.500 2.372 2.202 3.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 LYS HB3 1 2 ASP H 4.000 . 5.000 4.039 2.650 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 1 LYS HB2 1 2 ASP H 4.000 . 5.000 4.020 2.141 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 1 LYS HG3 1 2 ASP H 4.000 . 5.000 4.098 2.176 5.011 0.011 23 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 1 LYS HG2 1 2 ASP H 4.000 . 5.000 3.827 2.180 5.008 0.008 22 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 1 LYS QE 1 50 LEU MD1 4.000 . 7.100 4.108 2.606 5.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 1 LYS QE 1 50 LEU MD2 4.000 . 7.100 4.658 2.999 5.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 2 ASP H 1 2 ASP HB3 4.000 . 5.000 3.655 3.516 3.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 2 ASP H 1 2 ASP HB2 3.000 . 3.500 2.635 2.227 3.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 2 ASP HA 1 2 ASP HB3 3.000 . 3.500 2.402 2.283 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 2 ASP HA 1 3 GLY H 2.500 . 2.700 2.335 2.217 2.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 2 ASP H 1 3 GLY H 4.000 . 5.000 4.537 4.156 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 2 ASP HB3 1 3 GLY H 4.000 . 5.000 3.087 2.303 3.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 2 ASP HB2 1 3 GLY H 4.000 . 5.000 3.813 3.234 4.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 2 ASP HB3 1 46 TYR QD 4.000 . 6.500 3.931 3.317 4.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 2 ASP HB2 1 46 TYR QD 4.000 . 6.500 5.132 4.042 6.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 2 ASP HB3 1 46 TYR QE 3.000 . 5.500 2.299 1.870 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 2 ASP HB2 1 46 TYR QE 3.000 . 5.500 3.177 2.205 4.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 2 ASP HA 1 46 TYR QE 4.000 . 7.000 4.248 3.001 5.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 2 ASP HA 1 47 CYS H 4.000 . 5.000 4.821 4.344 5.049 0.049 37 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 2 ASP HA 1 48 GLU HA 3.000 . 3.500 2.094 1.839 2.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 2 ASP HB2 1 48 GLU HA 4.000 . 5.000 4.567 3.624 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 2 ASP HB3 1 48 GLU HA 4.000 . 5.000 3.433 2.251 4.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 2 ASP HA 1 48 GLU QB 4.000 . 6.000 3.933 3.114 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 2 ASP HA 1 48 GLU QG 4.000 . 6.000 3.094 2.078 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 2 ASP HA 1 49 GLY H 3.000 . 3.500 3.195 2.301 3.565 0.065 28 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 2 ASP HA 1 50 LEU H 4.000 . 5.000 4.101 3.207 5.100 0.100 38 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 2 ASP HA 1 50 LEU MD1 4.000 . 6.100 3.692 1.978 5.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 2 ASP HA 1 50 LEU MD2 4.000 . 6.100 3.913 1.853 5.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 3 GLY H 1 3 GLY HA3 3.000 . 3.500 2.735 2.580 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 3 GLY H 1 3 GLY HA2 3.000 . 3.500 2.928 2.889 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 3 GLY H 1 4 TYR H 4.000 . 5.000 4.380 4.312 4.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 3 GLY HA3 1 4 TYR H 2.500 . 2.700 2.557 2.397 2.727 0.027 20 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 3 GLY HA2 1 4 TYR H 2.500 . 2.700 2.636 2.429 2.773 0.073 33 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 3 GLY HA3 1 4 TYR QD 4.000 . 7.000 5.054 3.962 5.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 3 GLY HA2 1 4 TYR QD 4.000 . 7.000 3.983 3.049 4.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 3 GLY H 1 46 TYR QD 4.000 . 7.000 4.311 4.010 4.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 3 GLY H 1 46 TYR QE 4.000 . 7.000 3.735 3.063 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 3 GLY HA3 1 46 TYR QE 3.000 . 5.500 4.427 3.690 5.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 3 GLY HA2 1 46 TYR QE 3.000 . 5.500 3.048 2.033 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 3 GLY H 1 46 TYR HA 4.000 . 5.000 4.689 4.173 5.031 0.031 23 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 3 GLY H 1 47 CYS H 3.000 . 3.500 3.098 2.577 3.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 3 GLY H 1 48 GLU HA 4.000 . 5.000 3.600 3.201 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 3 GLY H 1 50 LEU MD1 4.000 . 6.100 3.080 1.910 4.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 3 GLY H 1 50 LEU MD2 4.000 . 6.100 3.550 1.753 4.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 3 GLY H 1 50 LEU HG 4.000 . 5.000 4.219 3.122 5.016 0.016 26 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 4 TYR H 1 4 TYR HB3 4.000 . 5.000 3.432 3.185 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 4 TYR H 1 4 TYR HB2 3.000 . 3.500 2.287 2.097 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 4 TYR H 1 4 TYR QD 2.500 . 4.700 3.426 2.040 4.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 4 TYR H 1 4 TYR QE 4.000 . 7.000 5.474 4.257 6.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 4 TYR HA 1 4 TYR HB3 3.000 . 3.500 2.724 2.514 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 4 TYR HA 1 4 TYR QD 3.000 . 5.500 2.627 2.154 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 4 TYR HB3 1 4 TYR QD 3.000 . 5.500 2.543 2.358 2.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 4 TYR HB2 1 4 TYR QD 3.000 . 5.500 2.341 2.289 2.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 4 TYR HA 1 4 TYR QE 4.000 . 7.000 4.301 4.084 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 4 TYR H 1 5 LEU H 4.000 . 5.000 4.349 3.502 4.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 4 TYR HA 1 5 LEU H 3.000 . 3.500 2.332 2.194 2.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 4 TYR QE 1 41 TYR H 4.000 . 7.000 3.739 2.833 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 4 TYR QD 1 44 GLY HA3 4.000 . 7.000 3.803 2.920 4.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 4 TYR QD 1 44 GLY HA2 4.000 . 7.000 4.772 3.842 5.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 4 TYR QE 1 44 GLY HA3 4.000 . 7.000 2.726 1.886 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 4 TYR QE 1 44 GLY HA2 4.000 . 7.000 4.129 3.288 5.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 4 TYR QE 1 44 GLY H 4.000 . 7.000 4.176 3.221 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 4 TYR QE 1 45 CYS HA 4.000 . 7.000 4.581 3.665 5.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 4 TYR QD 1 45 CYS H 4.000 . 7.000 3.631 2.726 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 4 TYR QE 1 45 CYS H 4.000 . 7.000 3.898 2.778 4.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 4 TYR HD1 1 46 TYR QD 3.000 . 3.500 3.244 2.963 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 4 TYR HD2 1 46 TYR QD 3.000 . 3.500 3.245 3.030 3.501 0.001 34 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 4 TYR HE1 1 46 TYR QD 3.000 . 3.500 3.300 3.005 3.501 0.001 31 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 4 TYR HE2 1 46 TYR QD 3.000 . 3.500 3.300 3.047 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 4 TYR QD 1 46 TYR HE2 4.000 . 7.000 6.254 2.527 6.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 4 TYR QE 1 46 TYR HE2 4.000 . 7.000 5.714 2.733 6.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 4 TYR QD 1 46 TYR HA 4.000 . 7.000 3.326 2.666 3.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 4 TYR QE 1 46 TYR HA 4.000 . 7.000 3.886 2.805 4.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 4 TYR QE 1 46 TYR HB3 4.000 . 7.000 4.581 3.735 5.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 4 TYR QE 1 46 TYR HB2 4.000 . 7.000 2.989 2.094 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 4 TYR HA 1 46 TYR HA 2.500 . 2.700 2.459 1.956 2.763 0.063 34 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 4 TYR HA 1 46 TYR QD 4.000 . 7.000 2.803 2.375 3.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 4 TYR HA 1 46 TYR QE 4.000 . 7.000 4.083 3.554 4.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 4 TYR H 1 46 TYR QD 4.000 . 7.000 4.486 3.870 5.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 4 TYR H 1 46 TYR QE 4.000 . 7.000 4.039 3.369 4.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 4 TYR HA 1 47 CYS H 3.000 . 3.500 3.308 2.954 3.546 0.046 4 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 4 TYR H 1 47 CYS H 4.000 . 5.000 4.980 4.730 5.135 0.135 36 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 4 TYR H 1 56 THR HA 4.000 . 5.000 4.333 3.571 5.022 0.022 32 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 4 TYR H 1 56 THR HB 3.000 . 3.500 3.161 2.134 3.620 0.120 14 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 4 TYR H 1 56 THR MG 3.000 . 4.400 3.119 2.278 3.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 4 TYR H 1 57 TRP HB3 4.000 . 5.000 3.962 3.223 4.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 4 TYR H 1 57 TRP HB2 4.000 . 5.000 4.596 4.109 5.037 0.037 30 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 4 TYR HA 1 57 TRP HB3 4.000 . 5.000 4.643 4.091 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 4 TYR HA 1 57 TRP HB2 4.000 . 5.000 4.990 4.796 5.088 0.088 29 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 4 TYR HB3 1 57 TRP H 4.000 . 5.000 3.465 2.860 4.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 4 TYR HB2 1 57 TRP H 4.000 . 5.000 3.368 2.669 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 4 TYR QD 1 57 TRP HB3 4.000 . 7.000 4.006 3.545 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 4 TYR QD 1 57 TRP HB2 4.000 . 7.000 4.831 4.453 5.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 5 LEU H 1 5 LEU QB 3.000 . 4.500 2.094 1.913 2.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 5 LEU H 1 5 LEU MD1 4.000 . 6.100 3.483 2.666 4.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 5 LEU H 1 5 LEU MD2 4.000 . 6.100 4.076 3.191 4.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 5 LEU HA 1 5 LEU MD1 4.000 . 6.100 3.658 3.261 3.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 5 LEU HA 1 5 LEU MD2 4.000 . 6.100 2.342 1.784 3.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 5 LEU HA 1 5 LEU QB 2.500 . 3.700 2.503 2.345 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 5 LEU HA 1 5 LEU HG 4.000 . 5.600 2.389 1.927 3.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 5 LEU HA 1 6 VAL H 2.500 . 2.700 2.325 2.207 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 5 LEU H 1 6 VAL H 4.000 . 5.000 4.633 4.492 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 5 LEU QB 1 6 VAL H 2.500 . 3.700 3.002 2.363 3.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 5 LEU HG 1 6 VAL H 4.000 . 5.000 4.205 3.275 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 5 LEU MD1 1 6 VAL H 4.000 . 6.100 4.655 3.899 5.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 5 LEU MD2 1 6 VAL H 4.000 . 6.100 2.671 1.805 3.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 5 LEU MD1 1 28 CYS HA 4.000 . 6.100 2.622 1.722 3.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 5 LEU MD2 1 28 CYS HA 4.000 . 6.100 3.350 1.747 4.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 5 LEU H 1 46 TYR HA 4.000 . 5.000 3.650 2.823 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 5 LEU HA 1 56 THR HA 4.000 . 5.000 3.224 2.157 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 5 LEU HA 1 57 TRP H 4.000 . 5.000 3.656 2.559 4.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 6 VAL H 1 6 VAL HB 4.000 . 5.000 3.673 3.550 3.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 6 VAL H 1 6 VAL MG1 4.000 . 6.100 2.429 2.093 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 6 VAL H 1 6 VAL MG2 2.500 . 3.400 2.009 1.821 2.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 6 VAL HA 1 6 VAL HB 3.000 . 3.500 2.438 2.385 2.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 6 VAL HA 1 6 VAL MG1 2.500 . 3.400 2.397 2.281 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 6 VAL H 1 7 GLU H 4.000 . 5.000 4.427 4.346 4.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 6 VAL HA 1 7 GLU H 2.500 . 2.700 2.701 2.570 2.765 0.065 36 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 6 VAL HB 1 7 GLU H 3.000 . 3.500 2.164 2.031 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 6 VAL MG1 1 7 GLU H 3.000 . 4.400 3.746 3.651 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 6 VAL MG2 1 7 GLU H 4.000 . 6.100 2.818 2.473 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 6 VAL MG1 1 10 GLY HA3 4.000 . 6.100 4.817 4.117 5.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 6 VAL MG1 1 10 GLY HA2 4.000 . 6.100 3.815 3.319 4.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 6 VAL HA 1 12 LYS HA 2.500 . 2.700 2.511 1.861 2.762 0.062 33 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 6 VAL HA 1 13 LYS H 4.000 . 5.000 4.524 3.616 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 6 VAL H 1 56 THR HA 4.000 . 5.000 3.915 2.849 5.006 0.006 7 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 6 VAL MG2 1 56 THR HA 4.000 . 6.100 3.886 3.084 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 6 VAL MG1 1 57 TRP HA 4.000 . 6.100 2.330 1.990 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 6 VAL MG2 1 57 TRP HA 4.000 . 6.100 4.792 4.281 5.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 6 VAL HB 1 57 TRP HB3 4.000 . 6.000 5.906 5.489 6.082 0.082 36 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 6 VAL HB 1 57 TRP HB2 4.000 . 6.000 4.272 3.812 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 6 VAL HA 1 57 TRP HA 4.000 . 5.000 4.951 4.651 5.084 0.084 2 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 6 VAL HA 1 57 TRP HB3 4.000 . 5.000 4.838 4.485 5.046 0.046 28 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 6 VAL HA 1 57 TRP HB2 4.000 . 5.000 3.243 2.909 3.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 6 VAL MG1 1 57 TRP H 2.500 . 3.400 2.489 1.947 2.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 6 VAL MG2 1 57 TRP H 4.000 . 6.100 4.610 3.959 5.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 6 VAL MG2 1 57 TRP HD1 4.000 . 6.100 4.161 3.869 4.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 6 VAL MG1 1 57 TRP HD1 2.500 . 3.400 1.930 1.764 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 6 VAL HB 1 57 TRP HD1 4.000 . 5.000 2.810 2.368 3.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 6 VAL HA 1 57 TRP HD1 4.000 . 5.000 2.957 2.108 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 6 VAL HB 1 57 TRP HE1 4.000 . 5.000 4.678 4.043 5.017 0.017 40 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 6 VAL MG1 1 57 TRP HE1 4.000 . 6.100 4.132 3.798 4.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 6 VAL MG1 1 58 PRO HA 4.000 . 6.100 3.595 3.107 3.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 6 VAL MG1 1 59 LEU H 4.000 . 6.100 3.997 2.922 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 7 GLU H 1 7 GLU HA 3.000 . 3.500 2.993 2.963 3.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 7 GLU H 1 7 GLU QB 3.000 . 4.500 2.406 2.081 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 7 GLU H 1 7 GLU QG 3.000 . 4.500 3.696 2.128 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 7 GLU HA 1 7 GLU QG 3.000 . 4.500 2.276 1.971 3.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 7 GLU H 1 8 LYS H 4.000 . 5.000 4.509 4.354 4.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 7 GLU HA 1 8 LYS H 2.500 . 2.700 2.517 2.381 2.739 0.039 36 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 7 GLU QB 1 8 LYS H 4.000 . 6.000 2.853 2.093 3.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 7 GLU QG 1 8 LYS H 4.000 . 6.000 2.654 1.826 4.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 7 GLU HA 1 9 THR H 4.000 . 5.000 4.514 4.000 5.037 0.037 5 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 7 GLU QB 1 9 THR H 4.000 . 6.000 2.824 2.140 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 7 GLU QG 1 9 THR H 4.000 . 6.000 3.790 1.985 5.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 7 GLU H 1 10 GLY H 4.000 . 5.000 2.960 2.633 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 7 GLU H 1 11 CYS H 4.000 . 5.000 3.383 2.281 4.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 7 GLU QG 1 13 LYS HA 4.000 . 6.000 4.424 3.205 5.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 7 GLU QB 1 13 LYS HA 4.000 . 6.000 4.678 3.320 5.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 8 LYS H 1 8 LYS HA 3.000 . 3.500 2.782 2.699 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 8 LYS H 1 8 LYS QB 3.000 . 4.500 2.114 1.914 2.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 8 LYS H 1 8 LYS QG 4.000 . 6.000 3.118 1.905 4.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 8 LYS H 1 9 THR H 3.000 . 3.500 2.956 2.677 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 8 LYS QB 1 9 THR H 4.000 . 6.000 2.655 1.979 3.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 8 LYS QG 1 9 THR H 4.000 . 6.000 3.746 1.773 4.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 9 THR H 1 9 THR HA 3.000 . 3.500 2.923 2.842 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 9 THR H 1 9 THR MG 2.500 . 3.400 2.408 1.888 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 9 THR H 1 9 THR HB 3.000 . 3.500 3.517 3.411 3.592 0.092 18 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 9 THR HA 1 10 GLY H 3.000 . 3.500 3.450 3.238 3.532 0.032 23 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 9 THR HB 1 10 GLY H 4.000 . 5.000 3.930 3.502 4.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 9 THR MG 1 10 GLY H 4.000 . 6.100 4.048 3.631 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 9 THR H 1 11 CYS H 4.000 . 5.000 3.770 3.122 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 9 THR HB 1 11 CYS H 4.000 . 5.000 3.700 2.994 4.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 10 GLY H 1 10 GLY HA3 3.000 . 3.500 2.984 2.933 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 10 GLY H 1 10 GLY HA2 3.000 . 3.500 2.492 2.372 2.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 10 GLY H 1 11 CYS H 2.500 . 2.700 2.346 1.884 2.734 0.034 27 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 10 GLY HA3 1 11 CYS H 4.000 . 5.000 3.164 2.867 3.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 10 GLY HA2 1 11 CYS H 4.000 . 5.000 3.380 3.041 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 10 GLY HA3 1 59 LEU QD 4.000 . 7.600 2.537 1.790 5.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 10 GLY HA2 1 59 LEU QD 4.000 . 7.600 2.468 1.719 5.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 10 GLY QA 1 64 CYS H 4.000 . 6.000 4.349 2.202 5.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 11 CYS H 1 11 CYS HA 3.000 . 3.500 2.881 2.799 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 11 CYS H 1 11 CYS HB3 4.000 . 5.000 3.495 3.416 3.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 11 CYS H 1 11 CYS HB2 3.000 . 3.500 2.246 2.050 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 11 CYS HA 1 11 CYS HB3 3.000 . 3.500 2.592 2.384 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 11 CYS H 1 12 LYS H 4.000 . 5.000 4.617 4.473 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 11 CYS HA 1 12 LYS H 2.500 . 2.700 2.450 2.210 2.749 0.049 32 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 11 CYS HB3 1 12 LYS H 3.000 . 3.500 2.728 1.971 3.503 0.003 34 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 11 CYS HB2 1 12 LYS H 4.000 . 5.000 3.859 3.130 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 11 CYS HA 1 57 TRP HE1 3.000 . 3.500 2.722 1.881 3.502 0.002 3 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 11 CYS HA 1 57 TRP HD1 4.000 . 5.000 4.288 3.421 5.028 0.028 32 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 11 CYS CB 1 64 CYS SG 3.000 2.900 3.100 3.028 3.017 3.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 11 CYS SG 1 64 CYS SG 2.000 . 2.100 2.020 2.016 2.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 11 CYS SG 1 64 CYS CB 3.000 2.900 3.100 3.025 3.006 3.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 11 CYS HA 1 64 CYS H 4.000 . 5.000 4.197 3.728 4.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 11 CYS HA 1 64 CYS HA 4.000 . 5.000 4.571 2.485 5.017 0.017 29 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 11 CYS H 1 64 CYS HB2 4.000 . 5.000 3.244 2.424 4.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 11 CYS HA 1 64 CYS HB3 4.000 . 5.000 2.749 1.991 3.557 0.009 35 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 11 CYS HA 1 64 CYS HB2 2.500 . 2.700 2.298 1.865 2.818 0.118 2 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 11 CYS HB3 1 64 CYS HB2 4.000 . 5.000 4.324 3.176 5.058 0.058 14 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 12 LYS H 1 13 LYS H 4.000 . 5.000 4.516 4.379 4.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 12 LYS H 1 12 LYS HA 3.000 . 3.500 2.900 2.792 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 12 LYS H 1 12 LYS HB3 3.000 . 3.500 2.901 2.298 3.593 0.093 26 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 12 LYS H 1 12 LYS HB2 3.000 . 3.500 3.136 1.947 3.594 0.094 13 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 12 LYS H 1 12 LYS HG3 4.000 . 5.000 2.595 1.782 4.363 0.018 32 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 12 LYS H 1 12 LYS HG2 4.000 . 5.000 2.793 1.830 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 12 LYS H 1 12 LYS HD3 4.000 . 5.000 3.874 1.887 4.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 12 LYS H 1 12 LYS HD2 4.000 . 5.000 4.086 2.185 4.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 12 LYS HA 1 13 LYS H 2.500 . 2.700 2.673 2.439 2.782 0.082 9 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 12 LYS HB3 1 13 LYS H 3.000 . 3.500 3.101 1.987 3.621 0.121 40 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 12 LYS HB2 1 13 LYS H 3.000 . 3.500 2.494 1.979 3.763 0.263 7 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 12 LYS HG3 1 13 LYS H 4.000 . 5.000 3.797 1.812 4.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 12 LYS HG2 1 13 LYS H 4.000 . 5.000 4.197 2.460 4.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 12 LYS H 1 57 TRP HE1 4.000 . 6.000 3.140 1.854 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 12 LYS H 1 64 CYS HB3 4.000 . 5.000 4.672 3.746 5.038 0.038 10 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 12 LYS H 1 64 CYS HB2 4.000 . 5.000 4.590 3.395 5.017 0.017 7 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 13 LYS H 1 13 LYS HB3 4.000 . 5.000 3.202 2.552 3.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 13 LYS H 1 13 LYS HB2 4.000 . 5.000 2.737 2.177 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 13 LYS H 1 13 LYS QG 4.000 . 5.800 3.728 2.059 4.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 13 LYS HA 1 13 LYS HB3 3.000 . 3.500 2.842 2.412 3.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 13 LYS HA 1 13 LYS HB2 3.000 . 3.500 2.769 2.445 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 13 LYS H 1 14 THR H 4.000 . 5.000 3.651 2.708 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 13 LYS HA 1 14 THR H 2.500 . 2.700 2.415 2.203 2.726 0.026 25 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 13 LYS HB3 1 14 THR H 4.000 . 5.000 4.183 3.200 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 13 LYS HB2 1 14 THR H 4.000 . 5.000 4.549 4.197 4.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 13 LYS QG 1 14 THR H 4.000 . 6.000 3.933 2.561 4.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 14 THR H 1 14 THR HA 3.000 . 3.500 2.878 2.728 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 14 THR H 1 14 THR HB 2.500 . 2.700 2.352 1.950 2.731 0.031 35 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 14 THR H 1 14 THR MG 3.000 . 4.400 3.666 3.208 3.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 14 THR HA 1 14 THR HB 3.000 . 3.500 3.022 2.868 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 14 THR HA 1 14 THR MG 3.000 . 4.500 2.448 2.195 2.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 14 THR H 1 15 CYS H 4.000 . 5.000 4.648 4.555 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 14 THR HA 1 15 CYS H 2.500 . 2.700 2.321 2.227 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 14 THR HB 1 15 CYS H 4.000 . 5.000 4.005 3.598 4.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 14 THR MG 1 15 CYS H 2.500 . 3.400 2.122 1.838 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 14 THR MG 1 16 TYR QD 4.000 . 8.100 3.979 2.949 4.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 14 THR MG 1 16 TYR QE 3.000 . 6.400 3.839 2.330 4.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 14 THR HA 1 44 GLY HA3 3.000 . 3.500 3.456 2.907 3.549 0.049 22 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 14 THR HA 1 44 GLY HA2 3.000 . 3.500 2.096 1.851 2.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 15 CYS H 1 15 CYS HB3 3.000 . 3.500 3.089 2.471 3.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 15 CYS H 1 15 CYS HB2 4.000 . 5.000 3.771 3.596 3.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 15 CYS HA 1 15 CYS HB3 3.000 . 3.500 2.486 2.304 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 15 CYS HA 1 15 CYS HB2 3.000 . 3.500 2.477 2.267 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 15 CYS H 1 16 TYR H 4.000 . 5.000 4.395 4.130 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 15 CYS HA 1 16 TYR H 2.500 . 2.700 2.350 2.196 2.785 0.085 36 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 15 CYS HB3 1 16 TYR H 4.000 . 5.000 4.097 3.627 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 15 CYS HB2 1 16 TYR H 3.000 . 3.500 3.019 2.163 3.538 0.038 20 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 15 CYS HA 1 21 ASN HD21 4.000 . 5.000 4.908 4.335 5.081 0.081 38 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 15 CYS HA 1 21 ASN HD22 4.000 . 5.000 4.359 3.710 4.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 15 CYS HB3 1 21 ASN HD21 4.000 . 5.000 3.772 3.361 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 15 CYS HB3 1 21 ASN HD22 4.000 . 5.000 3.690 2.391 4.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 15 CYS HB2 1 21 ASN HD21 4.000 . 5.000 2.579 2.164 3.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 15 CYS HB2 1 21 ASN HD22 4.000 . 5.000 2.424 1.855 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 15 CYS H 1 43 PHE HA 4.000 . 5.000 2.868 2.179 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 15 CYS H 1 43 PHE HB3 4.000 . 5.000 3.601 2.939 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 15 CYS H 1 43 PHE HB2 4.000 . 5.000 4.818 4.361 5.060 0.060 19 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 15 CYS CB 1 40 CYS SG 3.000 2.900 3.100 3.025 3.014 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 15 CYS SG 1 40 CYS SG 2.000 . 2.100 2.020 2.017 2.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 15 CYS SG 1 40 CYS CB 3.000 2.900 3.100 3.027 3.012 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 16 TYR H 1 16 TYR HB3 4.000 . 5.000 3.482 3.197 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 16 TYR H 1 16 TYR HB2 4.000 . 5.000 2.242 1.950 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 16 TYR HA 1 16 TYR HB3 3.000 . 3.500 2.611 2.366 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 16 TYR HA 1 16 TYR HB2 3.000 . 3.500 2.993 2.875 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 16 TYR HA 1 16 TYR QD 3.000 . 6.000 2.368 1.834 3.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 16 TYR HA 1 16 TYR QE 4.000 . 8.000 4.297 3.978 4.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 16 TYR HB3 1 16 TYR QD 2.500 . 4.700 2.549 2.303 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 16 TYR HB2 1 16 TYR QD 2.500 . 4.700 2.446 2.298 2.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 16 TYR H 1 17 LYS H 3.000 . 3.500 2.435 1.901 3.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 16 TYR HA 1 17 LYS H 4.000 . 5.000 3.452 2.791 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 16 TYR HA 1 43 PHE QD 3.000 . 5.300 3.389 2.315 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 16 TYR HA 1 43 PHE QE 4.000 . 7.000 3.378 2.296 4.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 17 LYS H 1 17 LYS QB 3.000 . 4.500 2.285 1.963 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 17 LYS H 1 18 LEU H 4.000 . 5.000 4.077 3.479 4.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 17 LYS HA 1 18 LEU H 2.500 . 2.700 2.328 2.205 2.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 17 LYS QB 1 18 LEU H 3.000 . 4.500 3.850 3.283 4.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 18 LEU H 1 18 LEU HB3 4.000 . 5.000 3.516 3.453 3.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 18 LEU H 1 18 LEU HB2 3.000 . 3.500 2.286 2.106 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 18 LEU H 1 18 LEU HG 3.000 . 3.500 2.259 1.857 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 18 LEU H 1 18 LEU MD1 3.000 . 4.400 3.476 3.018 3.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 18 LEU H 1 18 LEU MD2 3.000 . 4.400 3.455 2.777 3.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 18 LEU HA 1 18 LEU MD1 4.000 . 7.000 3.775 3.695 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 18 LEU HA 1 18 LEU MD2 2.500 . 4.700 1.947 1.799 2.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 18 LEU HA 1 19 GLY H 2.500 . 2.700 2.414 2.176 2.740 0.040 18 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 18 LEU H 1 19 GLY H 4.000 . 5.000 4.625 4.413 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 18 LEU HB3 1 19 GLY H 4.000 . 5.000 2.757 2.031 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 18 LEU HB2 1 19 GLY H 4.000 . 5.000 3.849 3.049 4.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 18 LEU HG 1 19 GLY H 4.000 . 5.000 4.835 4.573 5.107 0.107 27 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 18 LEU MD1 1 19 GLY H 4.000 . 6.100 4.601 4.103 5.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 18 LEU MD2 1 19 GLY H 3.000 . 4.400 3.126 2.554 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 18 LEU HA 1 40 CYS H 4.000 . 5.000 4.623 4.058 4.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 18 LEU HA 1 40 CYS HB3 4.000 . 5.000 2.356 1.870 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 18 LEU HA 1 40 CYS HB2 4.000 . 5.000 3.720 3.047 4.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 18 LEU MD1 1 41 TYR HA 4.000 . 6.100 4.596 3.737 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 18 LEU MD2 1 41 TYR HA 4.000 . 6.100 3.011 2.319 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 18 LEU MD1 1 42 GLY QA 4.000 . 6.100 3.659 2.770 4.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 18 LEU MD2 1 42 GLY QA 4.000 . 6.100 3.239 2.793 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 18 LEU MD1 1 42 GLY H 4.000 . 6.100 3.513 2.898 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 18 LEU MD2 1 42 GLY H 3.000 . 4.400 2.507 1.842 3.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 18 LEU MD2 1 43 PHE H 3.000 . 4.400 1.881 1.694 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 18 LEU HB3 1 43 PHE QD 4.000 . 7.000 5.897 4.986 6.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 18 LEU HB3 1 43 PHE QE 4.000 . 7.000 5.706 4.698 6.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 18 LEU HB2 1 43 PHE QD 4.000 . 7.000 5.948 4.958 6.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 18 LEU HB2 1 43 PHE QE 4.000 . 7.000 5.259 3.840 6.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 18 LEU HG 1 43 PHE QD 4.000 . 7.000 3.882 2.520 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 18 LEU HG 1 43 PHE QE 4.000 . 7.000 3.503 1.978 4.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 18 LEU MD1 1 43 PHE QD 4.000 . 8.100 3.298 2.021 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 18 LEU MD1 1 43 PHE QE 2.500 . 4.700 2.609 1.892 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 18 LEU MD2 1 43 PHE QD 3.000 . 6.400 2.947 2.128 3.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 18 LEU MD2 1 43 PHE QE 3.000 . 6.400 3.625 2.739 4.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 18 LEU MD2 1 44 GLY H 3.000 . 4.400 3.304 2.395 3.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 19 GLY H 1 19 GLY HA3 3.000 . 3.500 2.948 2.827 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 19 GLY H 1 19 GLY HA2 3.000 . 3.500 2.423 2.338 2.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 19 GLY HA3 1 20 GLU H 2.500 . 2.700 2.499 2.314 2.812 0.112 5 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 19 GLY HA2 1 20 GLU H 2.500 . 2.700 2.686 2.299 2.869 0.169 6 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 19 GLY H 1 20 GLU H 4.000 . 5.000 4.543 4.344 4.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 19 GLY HA3 1 21 ASN H 4.000 . 5.000 4.780 4.329 5.059 0.059 31 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 19 GLY HA2 1 21 ASN H 4.000 . 5.000 4.628 3.444 5.052 0.052 8 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 19 GLY HA3 1 39 TYR QD 4.000 . 7.000 5.243 3.674 6.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 19 GLY HA2 1 39 TYR QD 4.000 . 7.000 3.828 1.987 5.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 19 GLY H 1 40 CYS H 4.000 . 5.000 3.798 2.836 4.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 19 GLY QA 1 40 CYS H 4.000 . 6.000 4.320 2.518 4.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 19 GLY H 1 40 CYS HB3 4.000 . 5.000 2.947 1.873 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 19 GLY H 1 40 CYS HB2 4.000 . 5.000 4.193 2.856 5.011 0.011 9 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 20 GLU H 1 21 ASN H 4.000 . 5.000 3.898 3.043 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 20 GLU HA 1 21 ASN H 3.000 . 3.500 2.498 2.329 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 20 GLU QB 1 21 ASN H 4.000 . 6.000 3.956 3.761 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 20 GLU QG 1 21 ASN H 4.000 . 6.000 4.202 3.597 4.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 20 GLU HA 1 22 ASP H 4.000 . 5.000 4.848 4.070 5.090 0.090 13 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 20 GLU HA 1 39 TYR HA 4.000 . 5.000 3.929 2.497 5.060 0.060 10 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 20 GLU HA 1 39 TYR QB 3.000 . 4.500 2.692 1.867 4.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 20 GLU HA 1 39 TYR QD 4.000 . 7.000 4.439 3.192 6.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 21 ASN H 1 21 ASN HB3 4.000 . 5.000 2.636 2.343 3.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 21 ASN H 1 21 ASN HB2 4.000 . 5.000 2.410 2.057 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 21 ASN H 1 22 ASP H 4.000 . 5.000 4.027 2.438 4.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 21 ASN HA 1 22 ASP H 3.000 . 3.500 2.366 2.285 2.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 21 ASN HB3 1 22 ASP H 4.000 . 5.000 4.393 4.272 4.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 21 ASN HB2 1 22 ASP H 4.000 . 5.000 4.665 4.612 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 21 ASN HA 1 23 PHE H 4.000 . 5.000 3.735 3.336 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 21 ASN H 1 39 TYR HA 4.000 . 5.000 2.988 2.269 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 21 ASN HA 1 40 CYS H 4.000 . 5.000 4.767 4.165 5.121 0.121 22 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 21 ASN HB3 1 40 CYS HB3 4.000 . 5.000 3.914 3.070 4.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 21 ASN HB3 1 40 CYS HB2 4.000 . 5.000 2.602 1.903 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 21 ASN HB2 1 40 CYS HB3 4.000 . 5.000 2.981 2.055 5.012 0.012 22 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 21 ASN HB2 1 40 CYS HB2 4.000 . 5.000 2.220 1.842 4.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 22 ASP H 1 22 ASP HB3 3.000 . 3.500 3.205 2.183 3.544 0.044 4 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 22 ASP H 1 22 ASP HB2 3.000 . 3.500 2.251 1.953 2.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 22 ASP HA 1 22 ASP HB2 3.000 . 3.500 2.823 2.291 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 22 ASP H 1 23 PHE H 4.000 . 5.000 3.024 2.704 3.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 22 ASP HA 1 23 PHE H 4.000 . 5.000 3.539 2.365 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 22 ASP HB3 1 23 PHE H 4.000 . 5.000 3.033 2.133 4.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 22 ASP HB2 1 23 PHE H 4.000 . 5.000 3.099 2.299 4.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 22 ASP HA 1 24 CYS H 4.000 . 5.000 4.592 3.025 5.023 0.023 6 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 22 ASP H 1 24 CYS H 4.000 . 5.000 4.795 4.209 5.040 0.040 22 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 22 ASP HA 1 25 ASN H 3.000 . 3.500 3.385 2.856 3.756 0.256 22 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 22 ASP HA 1 25 ASN HD22 4.000 . 5.000 4.663 3.430 5.100 0.100 22 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 22 ASP HA 1 25 ASN HD21 4.000 . 5.000 3.376 1.986 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 22 ASP HA 1 26 ARG H 4.000 . 5.000 3.747 3.087 5.196 0.196 22 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 23 PHE H 1 23 PHE HA 3.000 . 3.500 2.786 2.737 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 23 PHE H 1 23 PHE HB3 3.000 . 3.500 3.055 2.498 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 23 PHE H 1 23 PHE HB2 3.000 . 3.500 2.030 1.942 2.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 23 PHE H 1 23 PHE QD 4.000 . 7.000 3.576 2.934 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 23 PHE HA 1 23 PHE HB3 3.000 . 3.500 2.949 2.864 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 23 PHE HA 1 23 PHE HB2 3.000 . 3.500 2.737 2.479 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 23 PHE HA 1 23 PHE QD 2.500 . 4.700 2.451 1.870 3.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 23 PHE HB3 1 23 PHE QD 2.500 . 4.700 2.460 2.301 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 23 PHE HB2 1 23 PHE QD 2.500 . 4.700 2.516 2.303 2.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 23 PHE H 1 24 CYS H 2.500 . 4.700 3.038 2.655 3.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 23 PHE HA 1 24 CYS H 4.000 . 5.000 3.584 3.469 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 23 PHE HB3 1 24 CYS H 3.000 . 3.500 2.328 1.875 3.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 23 PHE HB2 1 24 CYS H 3.000 . 3.500 3.212 2.911 3.537 0.037 6 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 23 PHE QD 1 24 CYS H 3.000 . 5.500 4.044 2.992 4.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 23 PHE H 1 25 ASN H 4.000 . 5.000 4.242 3.721 4.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 23 PHE HA 1 26 ARG H 4.000 . 5.000 3.930 3.355 4.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 23 PHE HA 1 26 ARG HB3 4.000 . 5.000 3.905 2.751 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 23 PHE HA 1 26 ARG HB2 4.000 . 5.000 3.512 2.449 5.048 0.048 19 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 23 PHE HA 1 27 GLU H 4.000 . 5.000 4.415 3.951 4.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 24 CYS H 1 24 CYS HA 3.000 . 3.500 2.871 2.804 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 24 CYS H 1 24 CYS HB3 3.000 . 3.500 3.070 2.306 3.537 0.037 23 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 24 CYS H 1 24 CYS HB2 3.000 . 3.500 2.286 1.936 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 24 CYS H 1 25 ASN H 4.000 . 5.000 2.698 2.372 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 24 CYS HA 1 25 ASN H 4.000 . 5.000 3.568 3.494 3.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 24 CYS HB2 1 25 ASN H 4.000 . 5.000 3.068 2.094 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 24 CYS HB3 1 25 ASN H 4.000 . 5.000 2.959 2.141 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 24 CYS HA 1 27 GLU H 3.000 . 3.500 3.455 3.089 3.546 0.046 18 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 24 CYS HA 1 27 GLU HB3 4.000 . 5.000 3.439 1.873 4.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 24 CYS HA 1 27 GLU HB2 4.000 . 5.000 2.859 2.212 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 24 CYS QB 1 39 TYR HA 4.000 . 6.000 3.213 2.056 5.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 24 CYS CB 1 45 CYS SG 3.000 2.900 3.100 3.027 3.017 3.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 24 CYS SG 1 45 CYS SG 2.000 . 2.100 2.020 2.017 2.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 24 CYS SG 1 45 CYS CB 3.000 2.900 3.100 3.028 3.013 3.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 25 ASN H 1 25 ASN HA 3.000 . 3.500 2.818 2.763 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 25 ASN H 1 26 ARG H 3.000 . 3.500 2.898 2.539 3.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 25 ASN HA 1 26 ARG H 4.000 . 5.000 3.577 3.515 3.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 25 ASN QB 1 26 ARG H 3.000 . 3.500 2.383 1.868 3.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 25 ASN H 1 27 GLU H 4.000 . 5.000 4.276 3.863 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 25 ASN HA 1 28 CYS H 4.000 . 5.000 3.594 3.037 4.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 25 ASN HA 1 28 CYS QB 4.000 . 6.000 2.738 1.811 3.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 25 ASN HA 1 38 GLY HA3 4.000 . 5.000 3.220 2.313 3.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 25 ASN HA 1 38 GLY HA2 4.000 . 5.000 4.730 3.988 5.048 0.048 15 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 26 ARG H 1 26 ARG HB3 3.000 . 3.500 2.978 2.101 3.517 0.017 30 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 26 ARG H 1 26 ARG HB2 3.000 . 3.500 2.165 1.929 3.515 0.015 19 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 26 ARG H 1 26 ARG HG3 4.000 . 5.000 3.808 2.388 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 26 ARG H 1 26 ARG HG2 4.000 . 5.000 4.096 2.276 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 26 ARG HA 1 26 ARG HG3 4.000 . 5.000 2.754 1.963 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 26 ARG HA 1 26 ARG HG2 4.000 . 5.000 2.766 1.924 4.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 26 ARG H 1 27 GLU H 4.000 . 5.000 2.796 2.518 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 26 ARG HA 1 27 GLU H 4.000 . 5.000 3.575 3.523 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 26 ARG HB3 1 27 GLU H 4.000 . 5.000 2.709 2.150 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 26 ARG HB2 1 27 GLU H 4.000 . 5.000 3.249 2.322 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 26 ARG HG3 1 27 GLU H 4.000 . 5.000 4.615 1.839 5.067 0.067 20 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 26 ARG HG2 1 27 GLU H 4.000 . 5.000 4.516 3.146 5.064 0.064 30 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 26 ARG H 1 28 CYS H 4.000 . 5.000 4.209 3.871 4.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 26 ARG HA 1 29 LYS H 4.000 . 5.000 3.628 3.081 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 26 ARG HA 1 29 LYS QB 4.000 . 6.000 3.099 1.899 5.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 27 GLU H 1 27 GLU HA 3.000 . 3.500 2.867 2.783 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 27 GLU H 1 27 GLU HB3 3.000 . 3.500 3.104 2.168 3.546 0.046 40 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 27 GLU H 1 27 GLU HB2 3.000 . 3.500 2.197 1.942 2.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 27 GLU H 1 27 GLU HG3 4.000 . 5.000 3.737 2.267 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 27 GLU H 1 27 GLU HG2 4.000 . 5.000 3.715 1.922 4.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 27 GLU H 1 28 CYS H 3.000 . 3.500 2.701 2.400 3.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 27 GLU HA 1 28 CYS H 4.000 . 5.000 3.554 3.416 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 27 GLU HB3 1 28 CYS H 4.000 . 5.000 2.992 2.172 3.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 27 GLU HB2 1 28 CYS H 4.000 . 5.000 3.123 2.179 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 27 GLU H 1 29 LYS H 4.000 . 5.000 4.111 3.595 4.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 27 GLU HA 1 30 TRP HE1 4.000 . 5.000 4.035 2.299 5.069 0.069 40 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 27 GLU QB 1 30 TRP HE1 4.000 . 6.000 4.862 4.039 5.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 28 CYS CB 1 47 CYS SG 3.000 2.900 3.100 3.025 3.012 3.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 28 CYS SG 1 47 CYS SG 2.000 . 2.100 2.020 2.018 2.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 28 CYS SG 1 47 CYS CB 3.000 2.900 3.100 3.027 3.016 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 28 CYS H 1 28 CYS HA 3.000 . 3.500 2.883 2.742 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 28 CYS H 1 28 CYS HB3 4.000 . 5.000 2.696 2.094 3.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 28 CYS H 1 28 CYS HB2 4.000 . 5.000 2.260 1.940 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 28 CYS HA 1 28 CYS HB3 3.000 . 3.500 2.995 2.864 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 28 CYS HA 1 28 CYS HB2 3.000 . 3.500 2.610 2.326 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 28 CYS H 1 29 LYS H 3.000 . 3.500 2.649 2.423 3.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 28 CYS HA 1 29 LYS H 4.000 . 5.000 3.503 3.224 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 28 CYS HB3 1 29 LYS H 4.000 . 5.000 2.852 1.945 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 28 CYS HB2 1 29 LYS H 4.000 . 5.000 3.751 2.947 4.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 29 LYS H 1 29 LYS HA 3.000 . 3.500 2.939 2.767 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 29 LYS H 1 29 LYS HB3 4.000 . 5.000 2.806 2.210 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 29 LYS H 1 29 LYS HB2 4.000 . 5.000 2.570 1.929 3.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 29 LYS H 1 29 LYS QG 4.000 . 6.000 3.425 1.830 4.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 29 LYS H 1 29 LYS QD 4.000 . 6.000 4.280 3.214 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 29 LYS H 1 30 TRP H 3.000 . 3.500 2.919 2.035 3.568 0.068 3 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 29 LYS HA 1 30 TRP H 4.000 . 5.000 3.157 2.536 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 29 LYS HB3 1 30 TRP H 4.000 . 5.000 3.590 1.844 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 29 LYS HB2 1 30 TRP H 4.000 . 5.000 4.007 2.124 4.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 30 TRP H 1 30 TRP HA 3.000 . 3.500 2.769 2.363 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 30 TRP H 1 30 TRP HB3 4.000 . 5.000 3.155 2.045 4.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 30 TRP H 1 30 TRP HB2 4.000 . 5.000 2.915 1.936 4.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 30 TRP HA 1 30 TRP HD1 4.000 . 5.000 4.533 3.338 4.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 30 TRP HA 1 30 TRP HE3 3.000 . 3.500 2.701 1.773 3.690 0.190 40 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 30 TRP HB3 1 30 TRP HD1 3.000 . 3.500 3.184 2.502 3.563 0.063 6 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 30 TRP HB2 1 30 TRP HD1 3.000 . 3.500 2.749 2.514 3.748 0.248 40 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 30 TRP H 1 31 LYS H 4.000 . 5.000 3.874 2.570 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 30 TRP HA 1 31 LYS H 4.000 . 5.000 2.901 2.204 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 31 LYS H 1 31 LYS HB3 4.000 . 5.000 3.453 2.159 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 31 LYS H 1 31 LYS HB2 4.000 . 5.000 2.769 2.037 4.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 31 LYS H 1 31 LYS QB 3.000 . 4.500 2.594 2.019 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 31 LYS H 1 31 LYS QG 3.000 . 4.500 3.362 1.820 4.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 32 HIS HA 1 32 HIS HB3 3.000 . 3.500 2.819 2.372 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 32 HIS HA 1 32 HIS HB2 3.000 . 3.500 2.783 2.404 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 32 HIS HA 1 32 HIS HD2 4.000 . 5.000 3.458 1.950 4.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 32 HIS HB3 1 32 HIS HD2 3.000 . 3.500 3.452 2.787 3.999 0.499 11 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 32 HIS HB2 1 32 HIS HD2 3.000 . 3.500 3.401 2.755 4.003 0.503 22 2 "[ . 1 . 2 + .- 3 . 4]" 1
467 1 33 ILE H 1 33 ILE HA 3.000 . 3.500 2.986 2.902 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 33 ILE H 1 33 ILE HB 3.000 . 3.500 2.577 2.188 3.575 0.075 28 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 33 ILE H 1 33 ILE QG 4.000 . 6.100 3.073 1.864 4.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 33 ILE H 1 33 ILE MD 4.000 . 6.100 3.495 1.876 4.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 33 ILE H 1 33 ILE MG 4.000 . 6.100 3.458 1.850 3.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 33 ILE HA 1 33 ILE MG 3.000 . 4.400 2.555 2.025 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 33 ILE HA 1 33 ILE MD 3.000 . 4.400 2.797 1.768 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 33 ILE H 1 34 GLY H 2.500 . 2.700 2.200 1.848 2.738 0.038 28 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 33 ILE HA 1 34 GLY H 4.000 . 5.000 3.539 3.286 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 33 ILE HB 1 34 GLY H 3.000 . 3.500 2.812 1.825 3.642 0.142 16 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 33 ILE MG 1 34 GLY H 4.000 . 6.100 3.039 1.743 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 33 ILE MD 1 34 GLY H 4.000 . 6.100 4.258 1.730 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 33 ILE H 1 35 GLY H 4.000 . 5.000 4.365 3.338 5.021 0.021 28 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 33 ILE HA 1 54 THR MG 4.000 . 6.100 4.576 3.223 5.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 34 GLY H 1 34 GLY HA3 3.000 . 3.500 2.902 2.352 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 34 GLY H 1 34 GLY HA2 3.000 . 3.500 2.561 2.351 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 34 GLY H 1 35 GLY H 3.000 . 3.500 2.620 1.854 3.508 0.008 23 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 34 GLY HA3 1 35 GLY H 3.000 . 3.500 3.347 2.390 3.574 0.074 19 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 34 GLY HA2 1 35 GLY H 3.000 . 3.500 2.855 2.209 3.569 0.069 18 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 34 GLY QA 1 51 PRO HG3 4.000 . 6.000 3.608 2.047 4.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 34 GLY QA 1 51 PRO HG2 4.000 . 6.000 4.359 2.753 5.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 34 GLY QA 1 51 PRO QD 4.000 . 7.000 3.164 1.810 4.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 35 GLY H 1 35 GLY HA3 3.000 . 3.500 2.522 2.343 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 35 GLY H 1 35 GLY HA2 3.000 . 3.500 2.840 2.347 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 35 GLY H 1 36 SER H 4.000 . 5.000 4.140 2.331 4.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 35 GLY HA3 1 36 SER H 3.000 . 3.500 3.224 2.614 3.569 0.069 18 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 35 GLY HA2 1 36 SER H 3.000 . 3.500 2.370 2.184 3.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 35 GLY QA 1 37 TYR H 4.000 . 6.000 3.832 2.992 5.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 36 SER H 1 36 SER HA 3.000 . 3.500 2.955 2.881 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 36 SER H 1 36 SER HB3 3.000 . 3.500 2.575 1.931 3.519 0.019 31 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 36 SER H 1 36 SER HB2 3.000 . 3.500 3.454 3.166 3.638 0.138 19 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 36 SER HA 1 36 SER HB3 3.000 . 3.500 2.575 2.254 2.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 36 SER HA 1 36 SER HB2 3.000 . 3.500 2.454 2.255 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 36 SER H 1 37 TYR H 4.000 . 5.000 2.590 1.856 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 36 SER HA 1 37 TYR H 4.000 . 5.000 3.381 2.214 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 36 SER HB3 1 37 TYR H 4.000 . 5.000 3.778 2.813 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 36 SER HB2 1 37 TYR H 4.000 . 5.000 3.751 2.483 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 36 SER H 1 49 GLY HA3 4.000 . 5.000 3.031 2.246 3.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 36 SER H 1 49 GLY HA2 4.000 . 5.000 4.687 3.916 5.090 0.090 38 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 37 TYR H 1 37 TYR HA 3.000 . 3.500 2.957 2.903 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 37 TYR H 1 37 TYR HB3 3.000 . 3.500 3.152 2.691 3.506 0.006 36 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 37 TYR H 1 37 TYR HB2 3.000 . 3.500 2.763 1.985 3.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 37 TYR HA 1 37 TYR HB2 3.000 . 3.500 2.727 2.482 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 37 TYR HA 1 37 TYR QD 2.500 . 2.700 2.485 1.851 3.030 0.330 22 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 37 TYR HB3 1 37 TYR QD 2.500 . 2.700 2.459 2.293 2.784 0.084 23 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 37 TYR HB2 1 37 TYR QD 2.500 . 2.700 2.497 2.303 2.771 0.071 33 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 37 TYR H 1 38 GLY H 4.000 . 5.000 4.240 3.641 4.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 37 TYR HA 1 38 GLY H 4.000 . 5.000 2.261 2.203 2.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 37 TYR HB3 1 38 GLY H 4.000 . 5.000 3.849 3.127 4.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 37 TYR HB2 1 38 GLY H 4.000 . 5.000 4.481 4.081 4.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 37 TYR H 1 47 CYS HA 4.000 . 5.000 4.884 4.541 5.056 0.056 5 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 37 TYR QD 1 39 TYR QE 4.000 . 9.000 3.829 1.902 5.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 37 TYR H 1 48 GLU H 3.000 . 3.500 3.191 2.684 3.540 0.040 10 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 37 TYR QD 1 48 GLU QB 4.000 . 8.000 4.263 1.942 5.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 37 TYR QD 1 48 GLU QG 4.000 . 8.000 4.850 2.485 6.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 38 GLY H 1 38 GLY HA3 3.000 . 3.500 2.627 2.398 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 38 GLY H 1 38 GLY HA2 3.000 . 3.500 2.963 2.890 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 38 GLY HA3 1 47 CYS HA 3.000 . 3.500 3.113 1.988 3.544 0.044 7 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 38 GLY HA2 1 47 CYS HA 3.000 . 3.500 2.111 1.852 2.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 39 TYR HA 1 39 TYR HB3 3.000 . 3.500 2.481 2.321 2.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 39 TYR HA 1 39 TYR HB2 3.000 . 3.500 2.480 2.338 2.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 39 TYR HA 1 39 TYR QD 4.000 . 7.000 3.675 3.516 3.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 39 TYR HB3 1 39 TYR QD 3.000 . 5.500 2.465 2.296 2.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 39 TYR HB2 1 39 TYR QD 3.000 . 5.500 2.410 2.294 2.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 39 TYR HA 1 40 CYS H 3.000 . 3.500 2.544 2.311 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 39 TYR QD 1 41 TYR HA 4.000 . 7.000 4.136 3.577 5.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 39 TYR QE 1 41 TYR HA 4.000 . 7.000 3.855 2.506 5.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 39 TYR QD 1 46 TYR QD 4.000 . 7.000 4.562 3.151 5.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 40 CYS H 1 40 CYS HB3 3.000 . 3.500 2.766 2.225 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 40 CYS H 1 40 CYS HB2 3.000 . 3.500 2.319 1.943 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 40 CYS HA 1 40 CYS HB2 3.000 . 3.500 2.653 2.386 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 40 CYS H 1 41 TYR H 4.000 . 5.000 4.523 4.268 4.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 40 CYS HA 1 41 TYR H 3.000 . 3.500 2.224 2.178 2.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 40 CYS HB3 1 41 TYR H 4.000 . 5.000 3.949 3.343 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 40 CYS HB2 1 41 TYR H 4.000 . 5.000 4.435 4.025 4.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 40 CYS HA 1 44 GLY H 4.000 . 5.000 3.711 3.196 4.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 40 CYS HA 1 46 TYR H 4.000 . 5.000 2.898 2.159 3.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 41 TYR H 1 41 TYR HB3 3.000 . 3.500 2.737 2.387 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 41 TYR H 1 41 TYR HB2 3.000 . 3.500 3.053 2.599 3.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 41 TYR H 1 41 TYR QD 4.000 . 7.000 4.230 3.824 4.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 41 TYR HA 1 41 TYR QD 3.000 . 5.500 2.354 1.821 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 41 TYR HA 1 42 GLY H 2.500 . 2.700 2.244 2.213 2.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 41 TYR HB3 1 42 GLY H 4.000 . 5.000 4.208 3.685 4.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 41 TYR HB2 1 42 GLY H 4.000 . 5.000 4.405 4.093 4.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 41 TYR H 1 43 PHE H 4.000 . 5.000 4.351 3.672 4.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 41 TYR H 1 44 GLY H 3.000 . 3.500 2.907 2.115 3.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 41 TYR HA 1 44 GLY H 4.000 . 5.000 4.608 4.151 5.028 0.028 4 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 41 TYR H 1 45 CYS HA 4.000 . 5.000 3.746 3.069 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 41 TYR H 1 46 TYR H 4.000 . 5.000 3.403 2.447 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 41 TYR H 1 46 TYR HB3 4.000 . 5.000 4.061 2.958 4.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 41 TYR H 1 46 TYR HB2 4.000 . 5.000 3.266 2.640 4.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 41 TYR HB3 1 46 TYR HB3 4.000 . 5.000 3.212 1.994 4.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 41 TYR HB3 1 46 TYR HB2 4.000 . 5.000 2.580 1.866 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 41 TYR HB2 1 46 TYR HB3 4.000 . 5.000 3.249 2.036 4.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 41 TYR HB2 1 46 TYR HB2 4.000 . 5.000 3.436 2.021 4.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 41 TYR HB3 1 46 TYR QD 4.000 . 7.000 3.804 3.136 4.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 41 TYR HB3 1 46 TYR QE 4.000 . 7.000 5.320 4.706 6.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 41 TYR HB2 1 46 TYR QD 4.000 . 7.000 4.078 3.019 4.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 41 TYR HB2 1 46 TYR QE 4.000 . 7.000 5.838 4.827 6.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 41 TYR QD 1 46 TYR QD 4.000 . 9.000 3.879 2.457 5.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 42 GLY QA 1 43 PHE H 4.000 . 6.000 2.683 2.392 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 42 GLY H 1 43 PHE H 4.000 . 5.000 2.756 2.112 3.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 43 PHE H 1 43 PHE HA 3.000 . 3.500 2.401 2.351 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 43 PHE H 1 43 PHE HB3 4.000 . 5.000 4.033 3.814 4.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 43 PHE H 1 43 PHE HB2 4.000 . 5.000 3.341 2.869 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 43 PHE HA 1 43 PHE HB3 3.000 . 3.500 2.559 2.394 2.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 43 PHE HA 1 43 PHE QD 3.000 . 5.500 2.469 1.730 3.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 43 PHE HB3 1 43 PHE QD 3.000 . 5.500 2.552 2.305 2.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 43 PHE HB2 1 43 PHE QD 3.000 . 5.500 2.402 2.300 2.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 43 PHE HA 1 44 GLY H 3.000 . 3.500 2.711 2.427 3.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 43 PHE H 1 44 GLY H 3.000 . 3.500 2.906 1.865 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 43 PHE HB3 1 44 GLY H 4.000 . 6.000 4.403 4.264 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 43 PHE HB2 1 44 GLY H 4.000 . 6.000 4.337 3.855 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 44 GLY H 1 44 GLY HA3 3.000 . 3.500 2.804 2.617 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 44 GLY H 1 44 GLY HA2 3.000 . 3.500 2.874 2.748 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 44 GLY HA3 1 45 CYS H 3.000 . 3.500 2.949 2.562 3.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 44 GLY HA2 1 45 CYS H 2.500 . 2.700 2.346 2.206 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 44 GLY H 1 45 CYS H 4.000 . 5.000 4.277 4.033 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 45 CYS H 1 45 CYS HB3 3.000 . 3.500 3.406 3.143 3.535 0.035 31 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 45 CYS H 1 45 CYS HB2 4.000 . 5.000 2.167 1.945 2.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 45 CYS HA 1 46 TYR H 2.500 . 2.700 2.237 2.191 2.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 45 CYS H 1 46 TYR H 4.000 . 5.000 4.445 4.136 4.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 45 CYS HB3 1 46 TYR H 4.000 . 5.000 3.749 3.170 4.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 45 CYS HB2 1 46 TYR H 4.000 . 5.000 4.479 3.949 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 46 TYR H 1 46 TYR HB3 2.500 . 2.700 2.706 2.485 2.791 0.091 24 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 46 TYR H 1 46 TYR HB2 3.000 . 3.500 2.640 2.345 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 46 TYR HA 1 46 TYR QD 3.000 . 5.500 2.314 1.811 3.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 46 TYR HA 1 46 TYR QE 4.000 . 7.000 4.260 4.068 4.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 46 TYR HB3 1 46 TYR QD 2.500 . 4.700 2.328 2.300 2.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 46 TYR HB2 1 46 TYR QD 2.500 . 4.700 2.610 2.341 2.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 46 TYR H 1 47 CYS H 4.000 . 5.000 4.467 4.217 4.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 46 TYR HA 1 47 CYS H 2.500 . 2.700 2.265 2.200 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 46 TYR HB3 1 47 CYS H 4.000 . 5.000 3.958 3.646 4.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 46 TYR HB2 1 47 CYS H 4.000 . 5.000 4.397 4.110 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 46 TYR QD 1 47 CYS H 3.000 . 5.500 3.438 2.548 3.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 46 TYR QE 1 47 CYS H 4.000 . 7.000 4.444 3.550 4.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 46 TYR QD 1 48 GLU QG 4.000 . 8.000 3.342 2.437 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 46 TYR QE 1 48 GLU QG 2.500 . 5.700 3.189 2.084 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 47 CYS H 1 47 CYS HB3 4.000 . 5.000 3.534 3.163 3.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 47 CYS H 1 47 CYS HB2 3.000 . 3.500 2.413 2.152 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 47 CYS HA 1 47 CYS HB3 3.000 . 3.500 2.677 2.429 2.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 47 CYS HA 1 48 GLU H 3.000 . 3.500 2.318 2.216 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 47 CYS HB3 1 48 GLU H 4.000 . 5.000 3.057 2.508 3.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 47 CYS H 1 50 LEU MD1 4.000 . 6.100 3.776 2.623 4.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 47 CYS H 1 50 LEU MD2 4.000 . 6.100 3.898 2.733 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 47 CYS HA 1 50 LEU MD1 4.000 . 6.100 4.492 3.628 5.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 47 CYS HA 1 50 LEU MD2 4.000 . 6.100 4.126 3.307 4.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 47 CYS HB3 1 50 LEU MD1 4.000 . 6.100 2.748 1.786 3.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 47 CYS HB3 1 50 LEU MD2 4.000 . 6.100 2.257 1.717 3.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 47 CYS HB2 1 50 LEU MD1 4.000 . 6.100 2.740 1.835 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 47 CYS HB2 1 50 LEU MD2 4.000 . 6.100 2.627 1.742 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 48 GLU H 1 48 GLU QG 4.000 . 6.000 2.941 2.046 4.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 48 GLU HA 1 48 GLU QG 3.000 . 4.500 2.317 1.907 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 48 GLU HA 1 49 GLY H 2.500 . 2.700 2.323 2.204 2.737 0.037 33 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 48 GLU HB3 1 49 GLY H 4.000 . 5.000 3.542 2.686 4.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 48 GLU HB2 1 49 GLY H 4.000 . 5.000 4.243 3.594 4.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 48 GLU QG 1 49 GLY H 4.000 . 6.000 4.102 2.784 4.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 49 GLY H 1 49 GLY HA3 3.000 . 3.500 2.952 2.768 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 49 GLY H 1 49 GLY HA2 3.000 . 3.500 2.535 2.351 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 49 GLY H 1 50 LEU H 3.000 . 3.500 2.215 1.802 3.514 0.014 18 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 49 GLY HA3 1 50 LEU H 3.000 . 3.500 3.342 2.508 3.569 0.069 36 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 49 GLY HA2 1 50 LEU H 3.000 . 3.500 3.129 2.693 3.561 0.061 28 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 50 LEU H 1 50 LEU HB3 4.000 . 5.000 3.419 2.439 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 50 LEU H 1 50 LEU HB2 3.000 . 3.500 2.783 2.246 3.566 0.066 1 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 50 LEU H 1 50 LEU HG 3.000 . 3.500 2.461 1.770 3.640 0.140 34 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 50 LEU H 1 50 LEU MD1 3.000 . 4.400 2.955 1.783 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 50 LEU H 1 50 LEU MD2 3.000 . 4.400 2.576 1.780 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 50 LEU HA 1 50 LEU MD1 4.000 . 6.100 3.344 1.801 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 50 LEU HA 1 50 LEU MD2 4.000 . 6.100 2.918 1.853 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 50 LEU HA 1 50 LEU HG 4.000 . 5.000 3.293 2.339 3.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 50 LEU H 1 51 PRO QD 4.000 . 6.000 4.031 3.692 4.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 50 LEU HA 1 51 PRO QD 3.000 . 4.500 1.860 1.825 1.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 50 LEU MD1 1 54 THR HB 4.000 . 6.100 4.110 2.162 5.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 50 LEU MD2 1 54 THR HB 4.000 . 6.100 4.370 2.957 5.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 51 PRO HA 1 51 PRO HB3 3.000 . 3.500 2.269 2.263 2.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 51 PRO HA 1 52 ASP H 2.500 . 2.700 2.416 2.283 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 51 PRO HB3 1 52 ASP H 3.000 . 3.500 3.290 3.071 3.527 0.027 6 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 51 PRO HB2 1 52 ASP H 3.000 . 3.500 3.075 2.488 3.500 0.000 26 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 51 PRO HA 1 53 SER H 4.000 . 5.000 4.171 3.781 4.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 51 PRO HB3 1 53 SER H 4.000 . 6.000 3.855 3.485 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 52 ASP H 1 52 ASP HA 3.000 . 3.500 2.845 2.760 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 52 ASP H 1 52 ASP HB3 3.000 . 3.500 3.098 2.164 3.525 0.025 4 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 52 ASP H 1 52 ASP HB2 3.000 . 3.500 2.180 1.934 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 52 ASP HA 1 52 ASP HB3 3.000 . 3.500 2.820 2.414 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 52 ASP HA 1 52 ASP HB2 3.000 . 3.500 2.803 2.369 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 52 ASP HA 1 53 SER H 4.000 . 5.000 3.501 3.342 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 52 ASP HB3 1 53 SER H 4.000 . 5.000 3.245 2.111 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 52 ASP HB2 1 53 SER H 4.000 . 5.000 3.390 2.591 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 52 ASP H 1 53 SER H 3.000 . 3.500 2.738 2.558 3.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 52 ASP HA 1 54 THR H 4.000 . 5.000 3.861 3.503 4.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 53 SER H 1 53 SER HA 3.000 . 3.500 2.885 2.753 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 53 SER H 1 53 SER HB3 3.000 . 3.500 2.927 1.964 3.552 0.052 16 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 53 SER H 1 53 SER HB2 3.000 . 3.500 2.646 1.938 3.586 0.086 24 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 53 SER HA 1 53 SER HB3 3.000 . 3.500 2.690 2.257 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 53 SER HA 1 53 SER HB2 3.000 . 3.500 2.709 2.256 3.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 53 SER H 1 54 THR H 3.000 . 3.500 2.661 2.262 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 53 SER HA 1 54 THR H 4.000 . 5.000 3.428 2.953 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 53 SER HB3 1 54 THR H 4.000 . 5.000 3.675 2.307 4.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 53 SER HB2 1 54 THR H 4.000 . 5.000 3.699 2.957 4.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 54 THR H 1 54 THR HA 3.000 . 3.500 2.929 2.800 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 54 THR H 1 54 THR HB 3.000 . 3.500 2.667 2.048 3.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 54 THR H 1 54 THR MG 3.000 . 4.400 3.665 3.301 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 54 THR HA 1 54 THR MG 3.000 . 4.400 2.215 1.944 2.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 54 THR H 1 55 GLN H 4.000 . 5.000 4.628 4.529 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 54 THR HA 1 55 GLN H 3.000 . 3.500 2.297 2.207 2.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 54 THR HB 1 55 GLN H 4.000 . 5.000 3.758 2.769 4.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 54 THR MG 1 55 GLN H 2.500 . 3.400 2.401 1.949 2.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 55 GLN H 1 55 GLN QB 3.000 . 4.500 2.191 1.945 2.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 55 GLN H 1 55 GLN HG3 4.000 . 5.000 3.985 1.817 4.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 55 GLN H 1 55 GLN HG2 4.000 . 5.000 3.919 2.094 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 55 GLN HA 1 55 GLN HG3 4.000 . 5.000 3.185 2.445 3.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 55 GLN HA 1 55 GLN HG2 4.000 . 5.000 3.073 1.924 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 55 GLN H 1 56 THR H 4.000 . 5.000 4.541 2.863 4.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 55 GLN HA 1 56 THR H 3.000 . 3.500 2.366 2.214 3.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 55 GLN QB 1 56 THR H 4.000 . 6.000 3.286 2.205 3.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 55 GLN HG3 1 56 THR H 4.000 . 5.000 3.693 1.865 5.027 0.027 6 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 55 GLN HG2 1 56 THR H 4.000 . 5.000 4.116 2.504 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 55 GLN HE21 1 56 THR H 4.000 . 5.000 3.470 1.856 4.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 55 GLN HE22 1 56 THR H 4.000 . 5.000 4.122 2.521 5.017 0.017 23 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 55 GLN HE21 1 59 LEU QD 4.000 . 7.600 3.857 1.794 5.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 55 GLN HE22 1 59 LEU QD 4.000 . 7.600 3.833 1.919 5.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 56 THR H 1 56 THR HA 3.000 . 3.500 2.967 2.883 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 56 THR H 1 56 THR HB 3.000 . 3.500 3.416 2.402 3.593 0.093 9 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 56 THR H 1 56 THR MG 3.000 . 4.400 2.937 1.853 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 56 THR HA 1 56 THR MG 3.000 . 4.400 2.536 1.896 3.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 56 THR H 1 57 TRP H 4.000 . 5.000 4.426 4.347 4.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 56 THR HA 1 57 TRP H 2.500 . 2.700 2.448 2.222 2.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 56 THR HB 1 57 TRP H 4.000 . 5.000 3.230 2.190 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 56 THR MG 1 57 TRP H 3.000 . 4.400 3.285 2.679 3.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 57 TRP H 1 57 TRP HB3 2.500 . 2.700 2.708 2.373 2.819 0.119 32 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 57 TRP H 1 57 TRP HB2 3.000 . 3.500 2.202 2.064 2.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 57 TRP HA 1 57 TRP HE3 4.000 . 5.000 4.445 3.992 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 57 TRP HA 1 57 TRP HD1 3.000 . 3.500 2.890 2.334 3.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 57 TRP HB2 1 57 TRP HD1 3.000 . 3.500 2.740 2.597 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 57 TRP HB3 1 57 TRP HE3 2.500 . 2.700 2.558 2.447 2.710 0.010 30 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 57 TRP HB2 1 57 TRP HE3 4.000 . 5.000 4.060 3.833 4.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 57 TRP H 1 58 PRO HA 4.000 . 5.000 4.696 4.575 4.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 57 TRP HA 1 58 PRO HA 2.500 . 2.700 2.069 1.895 2.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 57 TRP HB3 1 58 PRO HA 4.000 . 5.000 3.548 3.183 3.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 57 TRP HB2 1 58 PRO HA 4.000 . 5.000 3.798 3.595 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 57 TRP HD1 1 58 PRO HA 3.000 . 3.500 3.196 2.666 3.529 0.029 30 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 57 TRP HE1 1 58 PRO HA 4.000 . 5.000 3.693 3.397 3.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 57 TRP HA 1 59 LEU H 3.000 . 3.500 3.336 2.224 3.562 0.062 38 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 57 TRP HE1 1 64 CYS HB3 4.000 . 5.000 3.927 1.883 5.044 0.044 13 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 57 TRP HE1 1 64 CYS HB2 4.000 . 5.000 3.548 2.401 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 57 TRP HE1 1 64 CYS H 4.000 . 5.000 4.088 2.746 4.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 58 PRO HA 1 58 PRO HB3 3.000 . 3.500 2.274 2.257 2.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 58 PRO HA 1 59 LEU H 2.500 . 2.700 2.492 2.224 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 58 PRO HB3 1 59 LEU H 4.000 . 5.000 3.331 3.086 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 58 PRO HB2 1 59 LEU H 4.000 . 5.000 2.727 2.398 3.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 59 LEU H 1 59 LEU HB3 3.000 . 3.500 3.243 2.049 3.555 0.055 34 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 59 LEU H 1 59 LEU HB2 3.000 . 3.500 2.243 1.926 3.554 0.054 27 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 59 LEU H 1 59 LEU HG 4.000 . 5.000 3.757 2.005 4.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 59 LEU H 1 59 LEU QD 3.000 . 5.900 2.737 1.545 3.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 59 LEU HA 1 59 LEU HG 4.000 . 5.000 2.555 1.951 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 59 LEU HA 1 59 LEU MD1 4.000 . 6.100 2.948 1.798 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 59 LEU HA 1 59 LEU MD2 4.000 . 6.100 3.088 1.805 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 59 LEU HA 1 60 PRO HD3 2.500 . 2.700 2.224 2.023 2.783 0.083 14 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 59 LEU HA 1 60 PRO HD2 2.500 . 2.700 2.664 2.184 2.775 0.075 1 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 59 LEU HA 1 60 PRO QG 4.000 . 6.000 4.067 3.811 4.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 59 LEU QD 1 60 PRO HD3 4.000 . 7.600 3.092 1.852 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 59 LEU QD 1 60 PRO HD2 4.000 . 7.600 2.395 1.752 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 60 PRO HA 1 60 PRO HB3 3.000 . 3.500 2.268 2.262 2.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 60 PRO HA 1 61 ASN H 2.500 . 2.700 2.757 2.490 2.829 0.129 2 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 60 PRO HB3 1 61 ASN H 3.000 . 3.500 2.799 2.641 3.551 0.051 14 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 60 PRO HB2 1 61 ASN H 3.000 . 3.500 2.261 2.021 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 60 PRO QG 1 61 ASN H 4.000 . 6.000 4.103 3.937 4.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 61 ASN H 1 61 ASN HA 3.000 . 3.500 2.792 2.734 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 61 ASN H 1 61 ASN QB 3.000 . 4.500 2.187 1.973 2.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 61 ASN H 1 62 LYS H 2.500 . 2.700 2.784 2.523 2.896 0.196 2 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 61 ASN QB 1 62 LYS H 4.000 . 6.000 2.894 2.545 3.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 62 LYS H 1 62 LYS QB 3.000 . 4.500 2.214 1.941 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 62 LYS H 1 62 LYS QG 4.000 . 6.000 3.264 1.834 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 62 LYS HA 1 63 THR H 2.500 . 2.700 2.533 2.222 2.846 0.146 2 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 62 LYS QB 1 63 THR H 4.000 . 6.000 3.836 1.878 4.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 62 LYS QG 1 63 THR H 4.000 . 6.000 4.139 2.410 4.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 62 LYS H 1 63 THR H 4.000 . 5.000 3.839 3.327 4.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 63 THR H 1 63 THR HA 3.000 . 3.500 2.908 2.825 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 63 THR H 1 63 THR HB 2.500 . 2.700 2.622 2.190 2.838 0.138 14 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 63 THR H 1 63 THR MG 3.000 . 4.400 2.826 1.811 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 63 THR HA 1 63 THR HB 3.000 . 3.500 2.735 2.397 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 63 THR HA 1 63 THR MG 3.000 . 4.400 2.661 2.022 3.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 63 THR HA 1 64 CYS H 2.500 . 2.700 2.613 2.227 2.806 0.106 2 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 63 THR HB 1 64 CYS H 3.000 . 3.500 3.394 2.745 3.750 0.250 14 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 63 THR MG 1 64 CYS H 3.000 . 4.400 2.440 1.779 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 63 THR H 1 64 CYS H 4.000 . 5.000 4.541 4.356 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 64 CYS H 1 64 CYS HA 3.000 . 3.500 2.902 2.776 2.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 64 CYS H 1 64 CYS HB3 2.500 . 2.700 2.522 2.169 2.882 0.182 2 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 64 CYS H 1 64 CYS HB2 2.500 . 2.700 2.416 2.031 2.752 0.052 17 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 64 CYS HA 1 64 CYS HB2 3.000 . 3.500 2.532 2.367 2.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 118
_Distance_constraint_stats_list.Viol_total 92.917
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0078
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0197
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 0.163 0.033 40 0 "[ . 1 . 2 . 3 . 4]"
1 4 TYR 0.250 0.069 21 0 "[ . 1 . 2 . 3 . 4]"
1 7 GLU 0.185 0.051 40 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLY 0.185 0.051 40 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.269 0.043 28 0 "[ . 1 . 2 . 3 . 4]"
1 21 ASN 0.269 0.043 28 0 "[ . 1 . 2 . 3 . 4]"
1 22 ASP 0.035 0.025 31 0 "[ . 1 . 2 . 3 . 4]"
1 23 PHE 0.414 0.060 17 0 "[ . 1 . 2 . 3 . 4]"
1 24 CYS 0.107 0.039 38 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASN 0.204 0.051 35 0 "[ . 1 . 2 . 3 . 4]"
1 26 ARG 0.035 0.025 31 0 "[ . 1 . 2 . 3 . 4]"
1 27 GLU 0.414 0.060 17 0 "[ . 1 . 2 . 3 . 4]"
1 28 CYS 0.107 0.039 38 0 "[ . 1 . 2 . 3 . 4]"
1 29 LYS 0.204 0.051 35 0 "[ . 1 . 2 . 3 . 4]"
1 37 TYR 0.128 0.053 21 0 "[ . 1 . 2 . 3 . 4]"
1 39 TYR 0.400 0.046 21 0 "[ . 1 . 2 . 3 . 4]"
1 41 TYR 0.086 0.029 4 0 "[ . 1 . 2 . 3 . 4]"
1 44 GLY 0.086 0.029 4 0 "[ . 1 . 2 . 3 . 4]"
1 46 TYR 0.400 0.046 21 0 "[ . 1 . 2 . 3 . 4]"
1 47 CYS 0.163 0.033 40 0 "[ . 1 . 2 . 3 . 4]"
1 48 GLU 0.128 0.053 21 0 "[ . 1 . 2 . 3 . 4]"
1 51 PRO 0.081 0.029 15 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 0.081 0.029 15 0 "[ . 1 . 2 . 3 . 4]"
1 57 TRP 0.250 0.069 21 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLY H 1 47 CYS O 2.100 . 2.300 2.138 1.706 2.333 0.033 40 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 3 GLY N 1 47 CYS O 3.100 2.500 3.300 3.046 2.646 3.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 3 GLY O 1 47 CYS H 2.100 . 2.300 2.121 1.784 2.330 0.030 23 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 3 GLY O 1 47 CYS N 3.100 2.500 3.300 3.063 2.750 3.309 0.009 23 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 39 TYR O 1 46 TYR H 2.100 . 2.300 2.037 1.490 2.338 0.038 22 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 39 TYR O 1 46 TYR N 3.100 2.500 3.300 2.906 2.461 3.291 0.039 26 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 39 TYR H 1 46 TYR O 2.100 . 2.300 2.138 1.843 2.346 0.046 21 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 39 TYR N 1 46 TYR O 3.100 2.500 3.300 3.010 2.741 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 37 TYR O 1 48 GLU H 2.100 . 2.300 2.024 1.569 2.353 0.053 21 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 37 TYR O 1 48 GLU N 3.100 2.500 3.300 2.912 2.479 3.306 0.021 17 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 22 ASP O 1 26 ARG H 2.100 . 2.300 1.845 1.514 2.308 0.008 12 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 22 ASP O 1 26 ARG N 3.100 2.500 3.300 2.786 2.475 3.203 0.025 31 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 23 PHE O 1 27 GLU H 2.100 . 2.300 2.244 1.969 2.360 0.060 17 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 23 PHE O 1 27 GLU N 3.100 2.500 3.300 3.173 2.893 3.319 0.019 5 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 24 CYS O 1 28 CYS H 2.100 . 2.300 1.858 1.552 2.328 0.028 20 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 24 CYS O 1 28 CYS N 3.100 2.500 3.300 2.764 2.461 3.293 0.039 38 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 25 ASN O 1 29 LYS H 2.100 . 2.300 2.144 1.735 2.351 0.051 35 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 25 ASN O 1 29 LYS N 3.100 2.500 3.300 2.939 2.547 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 7 GLU O 1 10 GLY H 2.100 . 2.300 1.923 1.541 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 7 GLU O 1 10 GLY N 3.100 2.500 3.300 2.630 2.449 3.068 0.051 40 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 41 TYR H 1 44 GLY O 2.100 . 2.300 1.963 1.544 2.329 0.029 4 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 41 TYR N 1 44 GLY O 3.100 2.500 3.300 2.852 2.480 3.190 0.020 25 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 51 PRO O 1 54 THR N 3.100 2.500 3.300 3.008 2.639 3.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 51 PRO O 1 54 THR H 2.100 . 2.300 2.140 1.667 2.329 0.029 15 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 4 TYR O 1 57 TRP N 3.100 2.500 3.300 2.697 2.431 3.098 0.069 21 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 4 TYR O 1 57 TRP H 2.100 . 2.300 1.790 1.497 2.215 0.003 9 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 17 LYS O 1 21 ASN HD21 2.100 . 2.300 2.226 1.896 2.343 0.043 28 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 17 LYS O 1 21 ASN ND2 3.100 2.500 3.300 2.985 2.677 3.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
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