NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404032 |
1wxn   |
6467 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wxn
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 508
_Distance_constraint_stats_list.Viol_count 598
_Distance_constraint_stats_list.Viol_total 1535.536
_Distance_constraint_stats_list.Viol_max 0.868
_Distance_constraint_stats_list.Viol_rms 0.0326
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.1027
_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 GLY 0.403 0.131 7 0 "[ . 1 . 2 .]"
1 2 THR 0.295 0.130 9 0 "[ . 1 . 2 .]"
1 3 ALA 0.027 0.027 16 0 "[ . 1 . 2 .]"
1 4 CYS 1.885 0.211 22 0 "[ . 1 . 2 .]"
1 5 SER 2.658 0.211 22 0 "[ . 1 . 2 .]"
1 6 CYS 1.032 0.241 3 0 "[ . 1 . 2 .]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 ASN 1.048 0.240 9 0 "[ . 1 . 2 .]"
1 9 SER 2.569 0.382 24 0 "[ . 1 . 2 .]"
1 10 LYS 2.556 0.797 16 1 "[ . 1 .+ 2 .]"
1 11 GLY 3.663 0.368 17 0 "[ . 1 . 2 .]"
1 12 ILE 2.298 0.131 7 0 "[ . 1 . 2 .]"
1 13 TYR 6.856 0.224 2 0 "[ . 1 . 2 .]"
1 14 TRP 7.396 0.395 12 0 "[ . 1 . 2 .]"
1 15 PHE 6.806 0.868 21 6 "[ * . ** .* - 2+ .]"
1 16 TYR 0.716 0.161 17 0 "[ . 1 . 2 .]"
1 17 ARG 3.771 0.626 25 1 "[ . 1 . 2 +]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 SER 0.626 0.626 25 1 "[ . 1 . 2 +]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 PRO 1.568 0.395 12 0 "[ . 1 . 2 .]"
1 22 THR 0.705 0.224 20 0 "[ . 1 . 2 .]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 ARG 4.427 0.347 5 0 "[ . 1 . 2 .]"
1 25 GLY 2.016 0.233 24 0 "[ . 1 . 2 .]"
1 26 TYR 4.079 0.347 5 0 "[ . 1 . 2 .]"
1 27 THR 1.173 0.152 14 0 "[ . 1 . 2 .]"
1 28 GLY 1.264 0.176 13 0 "[ . 1 . 2 .]"
1 29 SER 8.314 0.457 22 0 "[ . 1 . 2 .]"
1 30 CYS 7.760 0.457 22 0 "[ . 1 . 2 .]"
1 31 ARG 3.986 0.266 17 0 "[ . 1 . 2 .]"
1 32 TYR 2.221 0.292 1 0 "[ . 1 . 2 .]"
1 33 PHE 0.139 0.139 18 0 "[ . 1 . 2 .]"
1 34 LEU 9.831 0.868 21 6 "[ * . ** .* - 2+ .]"
1 35 GLY 2.623 0.224 2 0 "[ . 1 . 2 .]"
1 36 THR 0.126 0.064 15 0 "[ . 1 . 2 .]"
1 37 CYS 4.434 0.292 1 0 "[ . 1 . 2 .]"
1 38 CYS 0.063 0.033 1 0 "[ . 1 . 2 .]"
1 39 THR 4.946 0.382 24 0 "[ . 1 . 2 .]"
1 40 PRO 1.539 0.320 20 0 "[ . 1 . 2 .]"
1 41 ALA 3.041 0.368 17 0 "[ . 1 . 2 .]"
1 42 ASP 2.275 0.184 15 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 GLY HA2 1 2 THR H 2.500 . 3.300 2.444 2.145 2.884 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 GLY HA2 1 12 ILE MD 4.100 . 6.000 4.114 2.214 5.027 . 0 0 "[ . 1 . 2 .]" 1
3 1 1 GLY HA2 1 12 ILE MG 3.600 . 5.200 4.684 3.824 5.331 0.131 7 0 "[ . 1 . 2 .]" 1
4 1 1 GLY HA3 1 2 THR H 2.800 . 3.800 2.836 2.311 3.584 . 0 0 "[ . 1 . 2 .]" 1
5 1 1 GLY HA3 1 12 ILE MD 3.400 . 4.800 3.420 2.389 4.464 . 0 0 "[ . 1 . 2 .]" 1
6 1 1 GLY HA3 1 12 ILE MG 3.000 . 6.000 4.540 3.216 5.618 . 0 0 "[ . 1 . 2 .]" 1
7 1 2 THR H 1 2 THR HA 2.900 . 3.900 2.906 2.887 2.960 . 0 0 "[ . 1 . 2 .]" 1
8 1 2 THR H 1 2 THR HB 2.900 . 4.000 3.542 2.817 3.731 . 0 0 "[ . 1 . 2 .]" 1
9 1 2 THR H 1 2 THR MG 3.100 . 4.300 2.761 2.522 3.740 . 0 0 "[ . 1 . 2 .]" 1
10 1 2 THR H 1 3 ALA H 3.200 . 4.500 3.725 3.107 4.097 . 0 0 "[ . 1 . 2 .]" 1
11 1 2 THR H 1 12 ILE MD 4.100 . 6.000 3.139 2.310 4.023 . 0 0 "[ . 1 . 2 .]" 1
12 1 2 THR H 1 12 ILE MG 3.500 . 5.000 3.000 2.406 3.680 . 0 0 "[ . 1 . 2 .]" 1
13 1 2 THR HA 1 2 THR HB 2.900 . 4.000 2.609 2.539 3.026 . 0 0 "[ . 1 . 2 .]" 1
14 1 2 THR HA 1 2 THR MG 3.300 . 4.700 2.244 2.089 2.307 . 0 0 "[ . 1 . 2 .]" 1
15 1 2 THR HA 1 3 ALA H 2.100 . 2.600 2.407 2.146 2.627 0.027 16 0 "[ . 1 . 2 .]" 1
16 1 2 THR HA 1 13 TYR QD 3.100 . 4.300 4.102 3.600 4.430 0.130 9 0 "[ . 1 . 2 .]" 1
17 1 2 THR HB 1 2 THR MG 3.000 . 4.100 2.113 2.073 2.126 . 0 0 "[ . 1 . 2 .]" 1
18 1 2 THR HB 1 3 ALA H 3.400 . 4.800 4.263 3.959 4.406 . 0 0 "[ . 1 . 2 .]" 1
19 1 2 THR HB 1 13 TYR QD 3.000 . 4.100 2.829 2.484 4.071 . 0 0 "[ . 1 . 2 .]" 1
20 1 2 THR MG 1 3 ALA H 3.700 . 5.400 4.233 3.949 4.365 . 0 0 "[ . 1 . 2 .]" 1
21 1 2 THR MG 1 13 TYR H 4.300 . 6.000 4.596 3.021 5.088 . 0 0 "[ . 1 . 2 .]" 1
22 1 2 THR MG 1 13 TYR QD 3.400 . 4.800 3.960 2.804 4.154 . 0 0 "[ . 1 . 2 .]" 1
23 1 2 THR MG 1 15 PHE QE 3.300 . 4.700 2.418 2.007 3.372 . 0 0 "[ . 1 . 2 .]" 1
24 1 3 ALA H 1 3 ALA HA 2.800 . 3.800 2.832 2.767 2.900 . 0 0 "[ . 1 . 2 .]" 1
25 1 3 ALA H 1 3 ALA MB 2.300 . 3.000 2.235 2.197 2.275 . 0 0 "[ . 1 . 2 .]" 1
26 1 3 ALA HA 1 3 ALA MB 3.000 . 4.100 2.119 2.113 2.125 . 0 0 "[ . 1 . 2 .]" 1
27 1 3 ALA HA 1 4 CYS H 2.300 . 3.000 2.191 2.116 2.343 . 0 0 "[ . 1 . 2 .]" 1
28 1 3 ALA HA 1 13 TYR H 4.000 . 6.000 3.811 3.152 4.499 . 0 0 "[ . 1 . 2 .]" 1
29 1 3 ALA MB 1 4 CYS H 3.100 . 4.300 2.824 2.362 3.234 . 0 0 "[ . 1 . 2 .]" 1
30 1 4 CYS H 1 4 CYS HA 2.500 . 3.300 2.927 2.884 2.961 . 0 0 "[ . 1 . 2 .]" 1
31 1 4 CYS H 1 4 CYS HB2 3.300 . 4.700 3.579 3.219 3.972 . 0 0 "[ . 1 . 2 .]" 1
32 1 4 CYS H 1 4 CYS HB3 3.100 . 4.300 3.064 2.699 3.458 . 0 0 "[ . 1 . 2 .]" 1
33 1 4 CYS H 1 11 GLY H 3.000 . 4.100 3.046 2.749 3.202 . 0 0 "[ . 1 . 2 .]" 1
34 1 4 CYS H 1 12 ILE HA 3.300 . 4.600 3.049 2.672 3.427 . 0 0 "[ . 1 . 2 .]" 1
35 1 4 CYS H 1 12 ILE MG 4.900 . 6.000 4.849 4.440 5.215 . 0 0 "[ . 1 . 2 .]" 1
36 1 4 CYS H 1 13 TYR H 4.500 . 6.000 4.074 3.829 4.517 . 0 0 "[ . 1 . 2 .]" 1
37 1 4 CYS HA 1 5 SER H 2.500 . 3.300 2.368 2.251 2.590 . 0 0 "[ . 1 . 2 .]" 1
38 1 4 CYS HB2 1 5 SER H 2.800 . 3.800 3.273 2.219 4.011 0.211 22 0 "[ . 1 . 2 .]" 1
39 1 4 CYS HB2 1 32 TYR QD 3.400 . 4.900 3.625 2.686 4.918 0.018 9 0 "[ . 1 . 2 .]" 1
40 1 4 CYS HB3 1 5 SER H 3.500 . 5.000 3.829 3.621 4.014 . 0 0 "[ . 1 . 2 .]" 1
41 1 5 SER H 1 5 SER HA 3.000 . 4.100 2.943 2.918 2.962 . 0 0 "[ . 1 . 2 .]" 1
42 1 5 SER H 1 5 SER HB2 3.500 . 5.000 3.111 2.630 3.811 . 0 0 "[ . 1 . 2 .]" 1
43 1 5 SER HA 1 5 SER HB2 2.900 . 3.900 2.811 2.434 3.032 . 0 0 "[ . 1 . 2 .]" 1
44 1 5 SER HA 1 5 SER HB3 2.700 . 3.600 2.491 2.278 3.028 . 0 0 "[ . 1 . 2 .]" 1
45 1 5 SER HA 1 6 CYS H 1.900 . 2.400 2.141 2.087 2.221 . 0 0 "[ . 1 . 2 .]" 1
46 1 5 SER HB2 1 6 CYS H 2.900 . 4.000 3.812 3.157 4.155 0.155 22 0 "[ . 1 . 2 .]" 1
47 1 5 SER HB3 1 6 CYS H 2.900 . 4.000 3.484 2.908 4.035 0.035 7 0 "[ . 1 . 2 .]" 1
48 1 6 CYS H 1 6 CYS HB2 2.700 . 3.600 2.719 2.548 3.841 0.241 3 0 "[ . 1 . 2 .]" 1
49 1 6 CYS H 1 6 CYS HB3 3.500 . 5.000 3.724 3.064 3.842 . 0 0 "[ . 1 . 2 .]" 1
50 1 6 CYS H 1 7 GLY H 4.400 . 6.000 3.722 3.448 4.290 . 0 0 "[ . 1 . 2 .]" 1
51 1 6 CYS H 1 9 SER H 3.600 . 5.200 3.709 3.362 4.006 . 0 0 "[ . 1 . 2 .]" 1
52 1 6 CYS HA 1 6 CYS HB2 2.900 . 3.900 2.987 2.486 3.035 . 0 0 "[ . 1 . 2 .]" 1
53 1 6 CYS HA 1 6 CYS HB3 2.600 . 3.400 2.487 2.401 3.038 . 0 0 "[ . 1 . 2 .]" 1
54 1 6 CYS HA 1 7 GLY H 2.200 . 2.800 2.283 2.157 2.409 . 0 0 "[ . 1 . 2 .]" 1
55 1 6 CYS HB2 1 7 GLY H 4.800 . 6.000 4.432 3.188 4.517 . 0 0 "[ . 1 . 2 .]" 1
56 1 6 CYS HB2 1 9 SER H 4.400 . 6.000 3.978 3.539 5.923 . 0 0 "[ . 1 . 2 .]" 1
57 1 6 CYS HB3 1 7 GLY H 3.900 . 5.800 4.096 3.916 4.259 . 0 0 "[ . 1 . 2 .]" 1
58 1 7 GLY H 1 7 GLY HA2 2.200 . 2.800 2.280 2.267 2.293 . 0 0 "[ . 1 . 2 .]" 1
59 1 7 GLY H 1 7 GLY HA3 2.800 . 3.800 2.843 2.802 2.881 . 0 0 "[ . 1 . 2 .]" 1
60 1 7 GLY HA2 1 8 ASN H 3.400 . 4.800 3.398 3.250 3.496 . 0 0 "[ . 1 . 2 .]" 1
61 1 7 GLY HA2 1 9 SER H 4.700 . 6.000 4.709 4.473 5.029 . 0 0 "[ . 1 . 2 .]" 1
62 1 7 GLY HA3 1 8 ASN H 2.000 . 2.500 2.196 2.151 2.288 . 0 0 "[ . 1 . 2 .]" 1
63 1 8 ASN H 1 8 ASN HA 2.800 . 3.800 2.939 2.901 2.965 . 0 0 "[ . 1 . 2 .]" 1
64 1 8 ASN H 1 8 ASN HB2 2.600 . 3.500 2.822 2.283 3.740 0.240 9 0 "[ . 1 . 2 .]" 1
65 1 8 ASN H 1 8 ASN HB3 3.100 . 4.300 3.020 2.371 3.765 . 0 0 "[ . 1 . 2 .]" 1
66 1 8 ASN H 1 8 ASN HD21 4.000 . 6.000 4.370 2.269 5.089 . 0 0 "[ . 1 . 2 .]" 1
67 1 8 ASN H 1 9 SER H 2.500 . 3.300 2.188 1.852 2.386 . 0 0 "[ . 1 . 2 .]" 1
68 1 8 ASN HA 1 9 SER H 3.100 . 4.300 3.423 3.200 3.523 . 0 0 "[ . 1 . 2 .]" 1
69 1 8 ASN HB2 1 8 ASN HD21 2.800 . 3.800 2.792 2.184 3.480 . 0 0 "[ . 1 . 2 .]" 1
70 1 8 ASN HB2 1 9 SER H 4.400 . 6.000 3.795 2.683 4.331 . 0 0 "[ . 1 . 2 .]" 1
71 1 8 ASN HB3 1 8 ASN HD21 3.200 . 4.500 2.585 2.172 3.485 . 0 0 "[ . 1 . 2 .]" 1
72 1 8 ASN HB3 1 9 SER H 4.500 . 6.000 3.654 2.682 4.336 . 0 0 "[ . 1 . 2 .]" 1
73 1 9 SER H 1 9 SER HA 2.700 . 3.600 2.891 2.854 2.944 . 0 0 "[ . 1 . 2 .]" 1
74 1 9 SER H 1 9 SER HB2 2.900 . 3.900 2.695 2.463 3.652 . 0 0 "[ . 1 . 2 .]" 1
75 1 9 SER H 1 9 SER HB3 2.600 . 3.500 3.408 2.551 3.663 0.163 16 0 "[ . 1 . 2 .]" 1
76 1 9 SER H 1 10 LYS H 6.000 . 6.000 4.499 4.313 4.622 . 0 0 "[ . 1 . 2 .]" 1
77 1 9 SER H 1 39 THR MG 4.200 . 6.000 5.115 4.458 5.735 . 0 0 "[ . 1 . 2 .]" 1
78 1 9 SER HA 1 10 LYS H 2.000 . 2.500 2.191 2.150 2.249 . 0 0 "[ . 1 . 2 .]" 1
79 1 9 SER HB2 1 10 LYS H 3.500 . 5.000 4.009 2.910 4.427 . 0 0 "[ . 1 . 2 .]" 1
80 1 9 SER HB2 1 39 THR MG 3.400 . 4.800 3.780 2.773 5.182 0.382 24 0 "[ . 1 . 2 .]" 1
81 1 9 SER HB3 1 10 LYS H 4.100 . 6.000 3.506 2.959 4.179 . 0 0 "[ . 1 . 2 .]" 1
82 1 9 SER HB3 1 39 THR MG 3.600 . 5.200 4.015 2.841 5.148 . 0 0 "[ . 1 . 2 .]" 1
83 1 10 LYS H 1 10 LYS HA 2.700 . 3.600 2.962 2.950 2.971 . 0 0 "[ . 1 . 2 .]" 1
84 1 10 LYS H 1 10 LYS QB . . 3.100 2.655 2.362 3.050 . 0 0 "[ . 1 . 2 .]" 1
85 1 10 LYS H 1 10 LYS QD 4.200 . 6.000 4.176 2.319 4.821 . 0 0 "[ . 1 . 2 .]" 1
86 1 10 LYS H 1 10 LYS QE 3.000 . 6.000 4.733 2.550 6.139 0.139 16 0 "[ . 1 . 2 .]" 1
87 1 10 LYS H 1 10 LYS HG2 3.300 . 4.600 3.637 2.162 4.413 . 0 0 "[ . 1 . 2 .]" 1
88 1 10 LYS H 1 10 LYS HG3 2.800 . 3.800 3.247 2.687 4.597 0.797 16 1 "[ . 1 .+ 2 .]" 1
89 1 10 LYS H 1 10 LYS QZ 6.000 . 6.000 4.790 3.214 5.894 . 0 0 "[ . 1 . 2 .]" 1
90 1 10 LYS H 1 39 THR MG 4.400 . 6.000 4.122 3.703 4.664 . 0 0 "[ . 1 . 2 .]" 1
91 1 10 LYS HA 1 10 LYS QB 3.000 . 4.100 2.305 2.137 2.414 . 0 0 "[ . 1 . 2 .]" 1
92 1 10 LYS HA 1 10 LYS QD 4.200 . 6.000 3.983 2.069 4.512 . 0 0 "[ . 1 . 2 .]" 1
93 1 10 LYS HA 1 10 LYS HG2 4.100 . 6.000 3.017 2.396 3.849 . 0 0 "[ . 1 . 2 .]" 1
94 1 10 LYS HA 1 10 LYS HG3 3.600 . 5.200 3.202 2.429 3.785 . 0 0 "[ . 1 . 2 .]" 1
95 1 10 LYS HA 1 10 LYS QZ 6.000 . 6.000 4.925 3.849 5.802 . 0 0 "[ . 1 . 2 .]" 1
96 1 10 LYS HA 1 11 GLY H 1.900 . 2.400 2.202 2.135 2.296 . 0 0 "[ . 1 . 2 .]" 1
97 1 10 LYS QB 1 10 LYS QD 2.700 . 3.100 2.239 2.102 2.750 . 0 0 "[ . 1 . 2 .]" 1
98 1 10 LYS QB 1 10 LYS HG2 2.600 . 3.400 2.317 2.140 2.484 . 0 0 "[ . 1 . 2 .]" 1
99 1 10 LYS QB 1 10 LYS HG3 3.400 . 3.500 2.352 2.152 2.438 . 0 0 "[ . 1 . 2 .]" 1
100 1 10 LYS QB 1 11 GLY H 3.000 . 4.200 3.040 2.783 3.616 . 0 0 "[ . 1 . 2 .]" 1
101 1 10 LYS QB 1 41 ALA H 5.000 . 6.000 5.035 4.295 5.728 . 0 0 "[ . 1 . 2 .]" 1
102 1 10 LYS QD 1 10 LYS HG2 2.100 . 2.600 2.290 2.140 2.401 . 0 0 "[ . 1 . 2 .]" 1
103 1 10 LYS QE 1 10 LYS HG2 3.400 . 4.800 2.883 2.384 3.504 . 0 0 "[ . 1 . 2 .]" 1
104 1 10 LYS QE 1 10 LYS HG3 3.700 . 5.400 2.765 2.348 3.511 . 0 0 "[ . 1 . 2 .]" 1
105 1 10 LYS QE 1 10 LYS QZ 3.200 . 4.500 1.868 1.856 1.874 0.044 13 0 "[ . 1 . 2 .]" 1
106 1 11 GLY H 1 11 GLY HA2 2.700 . 3.600 2.869 2.813 2.939 . 0 0 "[ . 1 . 2 .]" 1
107 1 11 GLY H 1 11 GLY HA3 2.700 . 3.600 2.735 2.607 2.796 . 0 0 "[ . 1 . 2 .]" 1
108 1 11 GLY HA2 1 12 ILE H 2.300 . 3.000 2.990 2.806 3.118 0.118 8 0 "[ . 1 . 2 .]" 1
109 1 11 GLY HA2 1 39 THR HA 3.300 . 4.700 3.491 3.291 3.658 . 0 0 "[ . 1 . 2 .]" 1
110 1 11 GLY HA3 1 12 ILE H 2.900 . 4.000 2.184 2.143 2.268 . 0 0 "[ . 1 . 2 .]" 1
111 1 11 GLY HA3 1 39 THR HA 4.200 . 6.000 1.896 1.757 2.029 0.243 21 0 "[ . 1 . 2 .]" 1
112 1 11 GLY HA3 1 41 ALA H 4.200 . 6.000 4.981 4.553 6.368 0.368 17 0 "[ . 1 . 2 .]" 1
113 1 12 ILE H 1 12 ILE HA 2.500 . 3.300 2.959 2.946 2.971 . 0 0 "[ . 1 . 2 .]" 1
114 1 12 ILE H 1 12 ILE HB 2.500 . 3.300 2.620 2.511 2.749 . 0 0 "[ . 1 . 2 .]" 1
115 1 12 ILE H 1 12 ILE MD 4.200 . 6.000 3.639 3.384 3.817 . 0 0 "[ . 1 . 2 .]" 1
116 1 12 ILE H 1 12 ILE QG 3.100 . 4.300 2.739 2.520 2.890 . 0 0 "[ . 1 . 2 .]" 1
117 1 12 ILE H 1 12 ILE MG 3.700 . 5.400 3.846 3.792 3.895 . 0 0 "[ . 1 . 2 .]" 1
118 1 12 ILE H 1 38 CYS H 5.200 . 6.000 3.985 3.741 4.156 . 0 0 "[ . 1 . 2 .]" 1
119 1 12 ILE H 1 38 CYS HB3 4.200 . 6.000 4.788 4.507 5.084 . 0 0 "[ . 1 . 2 .]" 1
120 1 12 ILE H 1 39 THR MG 3.600 . 5.200 3.696 3.257 4.929 . 0 0 "[ . 1 . 2 .]" 1
121 1 12 ILE HA 1 12 ILE HB 2.800 . 3.800 3.030 3.022 3.035 . 0 0 "[ . 1 . 2 .]" 1
122 1 12 ILE HA 1 12 ILE MD 2.300 . 3.000 2.121 2.069 2.211 . 0 0 "[ . 1 . 2 .]" 1
123 1 12 ILE HA 1 12 ILE QG 3.500 . 5.000 2.991 2.928 3.147 . 0 0 "[ . 1 . 2 .]" 1
124 1 12 ILE HA 1 12 ILE MG 2.700 . 3.600 2.374 2.301 2.419 . 0 0 "[ . 1 . 2 .]" 1
125 1 12 ILE HA 1 13 TYR H 2.000 . 2.500 2.231 2.199 2.278 . 0 0 "[ . 1 . 2 .]" 1
126 1 12 ILE HB 1 12 ILE MD 3.300 . 4.700 3.244 3.238 3.258 . 0 0 "[ . 1 . 2 .]" 1
127 1 12 ILE HB 1 12 ILE QG 2.300 . 3.000 2.184 2.181 2.187 . 0 0 "[ . 1 . 2 .]" 1
128 1 12 ILE HB 1 12 ILE MG 2.200 . 2.800 2.125 2.121 2.128 . 0 0 "[ . 1 . 2 .]" 1
129 1 12 ILE HB 1 14 TRP HD1 3.600 . 5.200 4.095 3.620 4.870 . 0 0 "[ . 1 . 2 .]" 1
130 1 12 ILE HB 1 14 TRP HE1 2.900 . 3.900 3.010 2.325 3.722 . 0 0 "[ . 1 . 2 .]" 1
131 1 12 ILE HB 1 26 TYR QE 3.800 . 5.600 3.550 2.781 4.225 . 0 0 "[ . 1 . 2 .]" 1
132 1 12 ILE MD 1 12 ILE QG 2.200 . 2.800 1.879 1.844 1.888 . 0 0 "[ . 1 . 2 .]" 1
133 1 12 ILE MD 1 12 ILE MG 2.100 . 2.700 2.044 1.993 2.222 . 0 0 "[ . 1 . 2 .]" 1
134 1 12 ILE MD 1 13 TYR H 4.200 . 6.000 3.714 3.470 3.955 . 0 0 "[ . 1 . 2 .]" 1
135 1 12 ILE MD 1 42 ASP H 3.200 . 6.000 6.042 5.915 6.107 0.107 23 0 "[ . 1 . 2 .]" 1
136 1 12 ILE QG 1 12 ILE MG 2.500 . 3.300 2.268 2.246 2.290 . 0 0 "[ . 1 . 2 .]" 1
137 1 12 ILE QG 1 13 TYR H 4.800 . 6.000 4.665 4.606 4.802 . 0 0 "[ . 1 . 2 .]" 1
138 1 12 ILE QG 1 14 TRP HE1 5.800 . 6.000 4.562 3.924 5.249 . 0 0 "[ . 1 . 2 .]" 1
139 1 12 ILE MG 1 13 TYR H 2.500 . 3.300 2.505 2.403 2.644 . 0 0 "[ . 1 . 2 .]" 1
140 1 12 ILE MG 1 14 TRP HD1 3.000 . 4.100 3.517 2.961 4.136 0.036 17 0 "[ . 1 . 2 .]" 1
141 1 12 ILE MG 1 14 TRP HE1 2.900 . 4.000 3.452 3.116 3.930 . 0 0 "[ . 1 . 2 .]" 1
142 1 12 ILE MG 1 38 CYS H 4.200 . 6.000 4.738 4.590 4.928 . 0 0 "[ . 1 . 2 .]" 1
143 1 13 TYR H 1 13 TYR HB2 2.800 . 3.800 3.754 3.725 3.778 . 0 0 "[ . 1 . 2 .]" 1
144 1 13 TYR H 1 13 TYR HB3 2.200 . 2.800 2.721 2.605 2.826 0.026 1 0 "[ . 1 . 2 .]" 1
145 1 13 TYR H 1 13 TYR QD 3.300 . 4.600 2.491 2.283 2.800 . 0 0 "[ . 1 . 2 .]" 1
146 1 13 TYR HA 1 13 TYR HB2 2.400 . 3.100 2.301 2.218 2.343 . 0 0 "[ . 1 . 2 .]" 1
147 1 13 TYR HA 1 13 TYR QD 2.800 . 3.800 3.714 3.642 3.749 . 0 0 "[ . 1 . 2 .]" 1
148 1 13 TYR HA 1 14 TRP H 2.000 . 2.500 2.138 2.071 2.184 . 0 0 "[ . 1 . 2 .]" 1
149 1 13 TYR HA 1 14 TRP HD1 3.500 . 5.000 2.811 2.593 3.151 . 0 0 "[ . 1 . 2 .]" 1
150 1 13 TYR HA 1 37 CYS HA 1.900 . 2.400 1.924 1.749 2.113 . 0 0 "[ . 1 . 2 .]" 1
151 1 13 TYR HA 1 38 CYS H 3.000 . 4.100 2.331 2.171 2.661 . 0 0 "[ . 1 . 2 .]" 1
152 1 13 TYR HB2 1 13 TYR QD 2.600 . 3.400 2.381 2.343 2.418 . 0 0 "[ . 1 . 2 .]" 1
153 1 13 TYR HB2 1 14 TRP H 4.000 . 6.000 3.059 2.895 3.269 . 0 0 "[ . 1 . 2 .]" 1
154 1 13 TYR HB3 1 13 TYR QD 2.300 . 3.000 2.437 2.400 2.472 . 0 0 "[ . 1 . 2 .]" 1
155 1 13 TYR HB3 1 14 TRP H 6.000 . 6.000 4.185 4.064 4.305 . 0 0 "[ . 1 . 2 .]" 1
156 1 13 TYR QD 1 14 TRP H 2.600 . 3.500 3.600 3.507 3.678 0.178 12 0 "[ . 1 . 2 .]" 1
157 1 13 TYR QD 1 15 PHE H 4.300 . 6.000 4.847 4.625 5.182 . 0 0 "[ . 1 . 2 .]" 1
158 1 13 TYR QD 1 15 PHE HA 2.800 . 3.800 3.800 3.573 3.923 0.123 16 0 "[ . 1 . 2 .]" 1
159 1 13 TYR QD 1 15 PHE HB3 3.100 . 6.000 5.997 5.839 6.103 0.103 23 0 "[ . 1 . 2 .]" 1
160 1 13 TYR QD 1 34 LEU QB 3.700 . 5.400 3.334 2.818 3.870 . 0 0 "[ . 1 . 2 .]" 1
161 1 13 TYR QD 1 34 LEU MD1 4.600 . 6.000 5.772 5.387 6.097 0.097 23 0 "[ . 1 . 2 .]" 1
162 1 13 TYR QD 1 34 LEU MD2 3.800 . 5.600 4.448 3.988 5.047 . 0 0 "[ . 1 . 2 .]" 1
163 1 13 TYR QD 1 35 GLY H 2.700 . 3.600 3.705 3.641 3.824 0.224 2 0 "[ . 1 . 2 .]" 1
164 1 13 TYR QD 1 36 THR H 3.000 . 4.100 3.841 3.446 4.164 0.064 15 0 "[ . 1 . 2 .]" 1
165 1 13 TYR QD 1 37 CYS H 5.600 . 6.000 5.226 4.884 5.777 . 0 0 "[ . 1 . 2 .]" 1
166 1 13 TYR QD 1 37 CYS HA 4.100 . 6.000 4.259 4.061 4.469 . 0 0 "[ . 1 . 2 .]" 1
167 1 14 TRP H 1 14 TRP HA 2.900 . 3.900 2.943 2.920 2.954 . 0 0 "[ . 1 . 2 .]" 1
168 1 14 TRP H 1 14 TRP HB2 2.400 . 3.100 2.453 2.379 2.505 . 0 0 "[ . 1 . 2 .]" 1
169 1 14 TRP H 1 14 TRP HB3 3.700 . 5.400 3.636 3.594 3.664 . 0 0 "[ . 1 . 2 .]" 1
170 1 14 TRP H 1 14 TRP HD1 2.800 . 3.800 2.399 2.185 2.645 . 0 0 "[ . 1 . 2 .]" 1
171 1 14 TRP H 1 15 PHE H 4.600 . 6.000 4.513 4.477 4.562 . 0 0 "[ . 1 . 2 .]" 1
172 1 14 TRP H 1 36 THR H 3.200 . 4.500 3.141 2.865 3.624 . 0 0 "[ . 1 . 2 .]" 1
173 1 14 TRP H 1 37 CYS HA 3.600 . 5.200 3.432 3.112 3.711 . 0 0 "[ . 1 . 2 .]" 1
174 1 14 TRP HA 1 14 TRP HB3 3.000 . 4.100 2.472 2.438 2.519 . 0 0 "[ . 1 . 2 .]" 1
175 1 14 TRP HA 1 14 TRP HD1 3.400 . 4.900 3.686 3.384 4.060 . 0 0 "[ . 1 . 2 .]" 1
176 1 14 TRP HA 1 14 TRP HE3 3.500 . 5.000 3.951 3.455 4.454 . 0 0 "[ . 1 . 2 .]" 1
177 1 14 TRP HA 1 15 PHE H 2.100 . 2.700 2.271 2.179 2.450 . 0 0 "[ . 1 . 2 .]" 1
178 1 14 TRP HB2 1 14 TRP HD1 2.700 . 3.600 2.931 2.758 3.136 . 0 0 "[ . 1 . 2 .]" 1
179 1 14 TRP HB2 1 14 TRP HE3 4.000 . 6.000 3.858 3.657 4.046 . 0 0 "[ . 1 . 2 .]" 1
180 1 14 TRP HB2 1 15 PHE H 6.000 . 6.000 3.931 3.537 4.117 . 0 0 "[ . 1 . 2 .]" 1
181 1 14 TRP HB3 1 14 TRP HE3 2.400 . 3.100 2.412 2.354 2.493 . 0 0 "[ . 1 . 2 .]" 1
182 1 14 TRP HB3 1 15 PHE H 3.300 . 4.600 2.853 2.386 3.081 . 0 0 "[ . 1 . 2 .]" 1
183 1 14 TRP HD1 1 37 CYS H 5.200 . 6.000 5.979 5.610 6.112 0.112 6 0 "[ . 1 . 2 .]" 1
184 1 14 TRP HD1 1 37 CYS HA 4.700 . 6.000 4.216 3.943 4.521 . 0 0 "[ . 1 . 2 .]" 1
185 1 14 TRP HD1 1 38 CYS H 3.000 . 4.200 3.031 2.854 3.536 . 0 0 "[ . 1 . 2 .]" 1
186 1 14 TRP HD1 1 38 CYS HB2 3.000 . 4.200 2.964 2.629 3.335 . 0 0 "[ . 1 . 2 .]" 1
187 1 14 TRP HD1 1 38 CYS HB3 3.400 . 4.800 4.519 4.118 4.833 0.033 1 0 "[ . 1 . 2 .]" 1
188 1 14 TRP HE1 1 21 PRO HD2 4.900 . 6.000 4.202 3.173 5.360 . 0 0 "[ . 1 . 2 .]" 1
189 1 14 TRP HE1 1 24 ARG HE 2.900 . 6.000 5.713 4.770 6.145 0.145 15 0 "[ . 1 . 2 .]" 1
190 1 14 TRP HE1 1 38 CYS HB2 4.100 . 6.000 2.877 2.492 3.305 . 0 0 "[ . 1 . 2 .]" 1
191 1 14 TRP HE1 1 38 CYS HB3 4.000 . 6.000 4.179 3.757 4.591 . 0 0 "[ . 1 . 2 .]" 1
192 1 14 TRP HE3 1 17 ARG HB3 5.000 . 6.000 4.755 3.127 6.094 0.094 9 0 "[ . 1 . 2 .]" 1
193 1 14 TRP HE3 1 17 ARG HD2 3.300 . 4.700 3.610 2.227 4.793 0.093 24 0 "[ . 1 . 2 .]" 1
194 1 14 TRP HE3 1 17 ARG HD3 3.200 . 4.500 3.810 1.869 4.753 0.253 6 0 "[ . 1 . 2 .]" 1
195 1 14 TRP HE3 1 17 ARG HE 2.400 . 3.100 2.872 2.331 3.212 0.112 20 0 "[ . 1 . 2 .]" 1
196 1 14 TRP HE3 1 17 ARG QG 3.300 . 4.700 3.173 1.977 4.319 . 0 0 "[ . 1 . 2 .]" 1
197 1 14 TRP HE3 1 21 PRO HG3 3.300 . 6.000 5.513 4.561 6.395 0.395 12 0 "[ . 1 . 2 .]" 1
198 1 15 PHE H 1 15 PHE HA 2.700 . 3.600 2.877 2.831 2.948 . 0 0 "[ . 1 . 2 .]" 1
199 1 15 PHE H 1 15 PHE HB2 2.500 . 3.300 2.408 2.309 2.507 . 0 0 "[ . 1 . 2 .]" 1
200 1 15 PHE H 1 15 PHE HB3 3.200 . 4.500 3.610 3.578 3.655 . 0 0 "[ . 1 . 2 .]" 1
201 1 15 PHE H 1 15 PHE QD 3.100 . 4.300 2.523 2.275 2.925 . 0 0 "[ . 1 . 2 .]" 1
202 1 15 PHE HA 1 15 PHE HB3 2.700 . 3.600 2.518 2.457 2.590 . 0 0 "[ . 1 . 2 .]" 1
203 1 15 PHE HA 1 15 PHE QD 2.800 . 3.800 2.787 2.421 3.046 . 0 0 "[ . 1 . 2 .]" 1
204 1 15 PHE HA 1 15 PHE QE 4.300 . 6.000 4.544 4.447 4.618 . 0 0 "[ . 1 . 2 .]" 1
205 1 15 PHE HA 1 16 TYR H 2.200 . 2.800 2.180 2.080 2.892 0.092 22 0 "[ . 1 . 2 .]" 1
206 1 15 PHE HA 1 16 TYR QD 3.700 . 5.400 3.941 3.466 4.367 . 0 0 "[ . 1 . 2 .]" 1
207 1 15 PHE HB2 1 15 PHE QD 2.500 . 3.300 2.367 2.300 2.460 . 0 0 "[ . 1 . 2 .]" 1
208 1 15 PHE HB2 1 16 TYR H 4.100 . 6.000 4.354 2.806 4.511 . 0 0 "[ . 1 . 2 .]" 1
209 1 15 PHE HB2 1 16 TYR QD 3.700 . 5.400 4.211 3.387 5.142 . 0 0 "[ . 1 . 2 .]" 1
210 1 15 PHE HB3 1 15 PHE QD 2.700 . 3.600 2.431 2.334 2.555 . 0 0 "[ . 1 . 2 .]" 1
211 1 15 PHE HB3 1 16 TYR H 4.200 . 6.000 3.665 1.900 4.097 0.100 22 0 "[ . 1 . 2 .]" 1
212 1 15 PHE HB3 1 16 TYR QD 3.000 . 4.100 2.810 2.264 3.722 . 0 0 "[ . 1 . 2 .]" 1
213 1 15 PHE QD 1 34 LEU QB 2.700 . 3.600 2.167 1.824 3.030 . 0 0 "[ . 1 . 2 .]" 1
214 1 15 PHE QD 1 34 LEU MD1 4.600 . 6.000 3.833 3.390 4.214 . 0 0 "[ . 1 . 2 .]" 1
215 1 15 PHE QD 1 34 LEU MD2 4.100 . 6.000 4.718 4.269 5.428 . 0 0 "[ . 1 . 2 .]" 1
216 1 15 PHE QE 1 34 LEU QB 2.900 . 4.000 2.523 2.200 3.220 . 0 0 "[ . 1 . 2 .]" 1
217 1 15 PHE QE 1 34 LEU MD2 2.700 . 3.600 3.813 3.528 4.468 0.868 21 6 "[ * . ** .* - 2+ .]" 1
218 1 16 TYR H 1 16 TYR HA 2.500 . 3.300 2.260 2.225 2.776 . 0 0 "[ . 1 . 2 .]" 1
219 1 16 TYR H 1 16 TYR HB2 3.700 . 5.500 3.479 2.234 3.972 . 0 0 "[ . 1 . 2 .]" 1
220 1 16 TYR H 1 16 TYR HB3 4.200 . 6.000 3.851 2.891 4.069 . 0 0 "[ . 1 . 2 .]" 1
221 1 16 TYR H 1 17 ARG H 3.300 . 4.600 3.141 2.784 4.101 . 0 0 "[ . 1 . 2 .]" 1
222 1 16 TYR HA 1 16 TYR QD 2.700 . 3.600 2.795 2.366 3.761 0.161 17 0 "[ . 1 . 2 .]" 1
223 1 16 TYR HA 1 17 ARG H 2.600 . 3.500 2.546 2.191 3.102 . 0 0 "[ . 1 . 2 .]" 1
224 1 16 TYR HB2 1 16 TYR QD 2.700 . 3.600 2.358 2.288 2.480 . 0 0 "[ . 1 . 2 .]" 1
225 1 16 TYR HB2 1 17 ARG H 4.800 . 6.000 4.459 3.970 4.587 . 0 0 "[ . 1 . 2 .]" 1
226 1 16 TYR HB3 1 16 TYR QD 2.700 . 3.600 2.487 2.354 2.597 . 0 0 "[ . 1 . 2 .]" 1
227 1 16 TYR HB3 1 16 TYR QE 4.800 . 6.000 4.439 4.405 4.478 . 0 0 "[ . 1 . 2 .]" 1
228 1 16 TYR HB3 1 17 ARG H 5.000 . 6.000 4.318 4.059 4.658 . 0 0 "[ . 1 . 2 .]" 1
229 1 16 TYR QD 1 34 LEU QB 2.700 . 6.000 4.893 4.202 6.045 0.045 16 0 "[ . 1 . 2 .]" 1
230 1 17 ARG H 1 17 ARG HB2 2.800 . 3.800 2.641 2.340 3.800 0.000 25 0 "[ . 1 . 2 .]" 1
231 1 17 ARG H 1 17 ARG HB3 3.800 . 5.600 3.716 3.160 3.894 . 0 0 "[ . 1 . 2 .]" 1
232 1 17 ARG H 1 17 ARG HD2 3.800 . 5.600 5.002 4.215 5.965 0.365 19 0 "[ . 1 . 2 .]" 1
233 1 17 ARG H 1 17 ARG HD3 5.600 . 6.000 4.663 3.895 5.464 . 0 0 "[ . 1 . 2 .]" 1
234 1 17 ARG H 1 17 ARG QG 2.900 . 3.900 3.000 2.359 3.573 . 0 0 "[ . 1 . 2 .]" 1
235 1 17 ARG H 1 18 PRO HA 3.000 . 6.000 4.792 4.240 5.193 . 0 0 "[ . 1 . 2 .]" 1
236 1 17 ARG H 1 18 PRO HD2 5.000 . 6.000 4.845 4.133 5.309 . 0 0 "[ . 1 . 2 .]" 1
237 1 17 ARG H 1 18 PRO HD3 3.500 . 5.100 3.937 2.947 4.664 . 0 0 "[ . 1 . 2 .]" 1
238 1 17 ARG H 1 36 THR HB 5.000 . 6.000 3.737 2.809 4.721 . 0 0 "[ . 1 . 2 .]" 1
239 1 17 ARG HB2 1 17 ARG HD3 4.100 . 6.000 3.351 2.374 4.217 . 0 0 "[ . 1 . 2 .]" 1
240 1 17 ARG HB2 1 17 ARG HE 4.100 . 6.000 4.167 2.987 4.978 . 0 0 "[ . 1 . 2 .]" 1
241 1 17 ARG HB2 1 17 ARG QG 2.000 . 2.500 2.237 2.152 2.464 . 0 0 "[ . 1 . 2 .]" 1
242 1 17 ARG HB2 1 19 SER H 3.400 . 4.800 3.986 2.624 4.712 . 0 0 "[ . 1 . 2 .]" 1
243 1 17 ARG HB3 1 17 ARG HD2 3.600 . 5.200 2.937 2.399 3.821 . 0 0 "[ . 1 . 2 .]" 1
244 1 17 ARG HB3 1 17 ARG HD3 3.200 . 4.500 2.978 2.354 3.704 . 0 0 "[ . 1 . 2 .]" 1
245 1 17 ARG HB3 1 17 ARG HE 3.400 . 4.800 3.707 1.911 4.609 0.089 19 0 "[ . 1 . 2 .]" 1
246 1 17 ARG HB3 1 17 ARG QG 2.300 . 2.900 2.351 2.222 2.418 . 0 0 "[ . 1 . 2 .]" 1
247 1 17 ARG HB3 1 19 SER H 2.700 . 3.600 3.034 2.476 4.226 0.626 25 1 "[ . 1 . 2 +]" 1
248 1 17 ARG HD2 1 17 ARG HE 2.700 . 3.600 2.801 2.312 2.970 . 0 0 "[ . 1 . 2 .]" 1
249 1 17 ARG HD2 1 17 ARG QG 2.500 . 3.300 2.286 2.143 2.434 . 0 0 "[ . 1 . 2 .]" 1
250 1 17 ARG HD3 1 17 ARG HE 2.800 . 3.800 2.682 2.270 2.962 . 0 0 "[ . 1 . 2 .]" 1
251 1 17 ARG HD3 1 17 ARG QG 2.600 . 3.400 2.330 2.150 2.445 . 0 0 "[ . 1 . 2 .]" 1
252 1 17 ARG HE 1 17 ARG QG 2.500 . 3.300 2.486 2.253 3.056 . 0 0 "[ . 1 . 2 .]" 1
253 1 18 PRO HA 1 18 PRO HD3 4.100 . 6.000 3.756 3.408 3.989 . 0 0 "[ . 1 . 2 .]" 1
254 1 18 PRO HA 1 19 SER H 3.200 . 4.500 3.327 2.679 3.507 . 0 0 "[ . 1 . 2 .]" 1
255 1 18 PRO QB 1 18 PRO HD2 2.900 . 4.000 3.115 2.853 3.520 . 0 0 "[ . 1 . 2 .]" 1
256 1 18 PRO QB 1 18 PRO HD3 3.500 . 5.100 3.319 2.839 3.539 . 0 0 "[ . 1 . 2 .]" 1
257 1 18 PRO HD2 1 19 SER H 3.200 . 4.500 2.972 2.687 4.092 . 0 0 "[ . 1 . 2 .]" 1
258 1 18 PRO HD3 1 19 SER H 3.400 . 4.800 3.995 3.688 4.767 . 0 0 "[ . 1 . 2 .]" 1
259 1 19 SER H 1 19 SER HA 2.400 . 3.100 2.908 2.853 2.947 . 0 0 "[ . 1 . 2 .]" 1
260 1 19 SER H 1 19 SER QB 3.200 . 4.400 2.757 2.391 3.279 . 0 0 "[ . 1 . 2 .]" 1
261 1 19 SER H 1 20 CYS H 4.600 . 6.000 3.943 3.099 4.353 . 0 0 "[ . 1 . 2 .]" 1
262 1 19 SER HA 1 19 SER QB 3.200 . 4.500 2.325 2.176 2.422 . 0 0 "[ . 1 . 2 .]" 1
263 1 19 SER HA 1 20 CYS H 2.200 . 2.800 2.249 2.145 2.474 . 0 0 "[ . 1 . 2 .]" 1
264 1 19 SER QB 1 20 CYS H 2.800 . 6.000 3.562 2.776 4.028 . 0 0 "[ . 1 . 2 .]" 1
265 1 20 CYS H 1 20 CYS HA 2.800 . 3.800 2.881 2.771 2.947 . 0 0 "[ . 1 . 2 .]" 1
266 1 20 CYS H 1 20 CYS QB 2.500 . 3.300 2.313 2.213 2.395 . 0 0 "[ . 1 . 2 .]" 1
267 1 20 CYS H 1 36 THR MG 3.100 . 6.000 4.055 3.040 4.837 . 0 0 "[ . 1 . 2 .]" 1
268 1 20 CYS HA 1 21 PRO HD2 2.500 . 3.300 2.407 1.986 2.826 . 0 0 "[ . 1 . 2 .]" 1
269 1 20 CYS HA 1 21 PRO HD3 2.600 . 3.500 2.074 1.836 2.476 . 0 0 "[ . 1 . 2 .]" 1
270 1 21 PRO HA 1 22 THR H 2.100 . 2.700 2.258 2.142 2.566 . 0 0 "[ . 1 . 2 .]" 1
271 1 21 PRO HB2 1 21 PRO HD2 4.000 . 6.000 3.386 2.943 4.047 . 0 0 "[ . 1 . 2 .]" 1
272 1 21 PRO HB2 1 21 PRO HG2 2.500 . 3.300 2.302 2.255 2.329 . 0 0 "[ . 1 . 2 .]" 1
273 1 21 PRO HB2 1 21 PRO HG3 2.600 . 3.500 2.861 2.649 2.991 . 0 0 "[ . 1 . 2 .]" 1
274 1 21 PRO HB2 1 22 THR H 3.700 . 5.400 4.011 2.279 4.363 . 0 0 "[ . 1 . 2 .]" 1
275 1 21 PRO HB3 1 21 PRO HG2 3.000 . 4.100 2.796 2.647 2.987 . 0 0 "[ . 1 . 2 .]" 1
276 1 21 PRO HB3 1 22 THR H 3.800 . 5.600 4.090 3.339 4.542 . 0 0 "[ . 1 . 2 .]" 1
277 1 21 PRO HD2 1 21 PRO HG2 2.900 . 3.900 2.299 2.273 2.320 . 0 0 "[ . 1 . 2 .]" 1
278 1 21 PRO HD2 1 21 PRO HG3 2.800 . 3.800 2.890 2.669 2.995 . 0 0 "[ . 1 . 2 .]" 1
279 1 21 PRO HD2 1 26 TYR QD 3.700 . 5.400 3.924 2.218 4.856 . 0 0 "[ . 1 . 2 .]" 1
280 1 21 PRO HD3 1 21 PRO HG2 2.700 . 3.600 2.777 2.646 2.992 . 0 0 "[ . 1 . 2 .]" 1
281 1 21 PRO HD3 1 26 TYR QD 4.100 . 6.000 5.303 3.650 6.058 0.058 13 0 "[ . 1 . 2 .]" 1
282 1 21 PRO HG2 1 26 TYR QE 3.100 . 4.300 3.271 1.597 4.355 0.303 2 0 "[ . 1 . 2 .]" 1
283 1 22 THR H 1 22 THR HA 2.900 . 4.000 2.869 2.825 2.958 . 0 0 "[ . 1 . 2 .]" 1
284 1 22 THR H 1 22 THR HB 3.600 . 5.200 2.912 2.536 3.743 . 0 0 "[ . 1 . 2 .]" 1
285 1 22 THR H 1 22 THR MG 2.600 . 3.500 2.448 1.974 3.724 0.224 20 0 "[ . 1 . 2 .]" 1
286 1 22 THR HA 1 22 THR MG 2.900 . 4.000 2.833 2.172 3.237 . 0 0 "[ . 1 . 2 .]" 1
287 1 22 THR HA 1 23 ASP H 2.700 . 3.600 2.950 2.199 3.431 . 0 0 "[ . 1 . 2 .]" 1
288 1 22 THR HB 1 22 THR MG 3.100 . 4.300 2.119 2.078 2.129 . 0 0 "[ . 1 . 2 .]" 1
289 1 22 THR HB 1 23 ASP H 3.000 . 6.000 4.370 3.649 4.675 . 0 0 "[ . 1 . 2 .]" 1
290 1 22 THR MG 1 23 ASP H 3.700 . 5.500 3.779 2.598 4.434 . 0 0 "[ . 1 . 2 .]" 1
291 1 23 ASP H 1 23 ASP HA 2.600 . 3.500 2.884 2.836 2.965 . 0 0 "[ . 1 . 2 .]" 1
292 1 23 ASP H 1 23 ASP HB2 3.600 . 5.200 2.778 2.316 3.628 . 0 0 "[ . 1 . 2 .]" 1
293 1 23 ASP H 1 23 ASP HB3 3.700 . 5.400 2.931 2.317 3.663 . 0 0 "[ . 1 . 2 .]" 1
294 1 23 ASP HA 1 24 ARG H 2.800 . 3.800 3.435 3.033 3.594 . 0 0 "[ . 1 . 2 .]" 1
295 1 23 ASP HA 1 25 GLY H 3.400 . 4.800 3.677 3.182 4.280 . 0 0 "[ . 1 . 2 .]" 1
296 1 23 ASP HB2 1 24 ARG H 4.400 . 6.000 3.704 2.506 4.342 . 0 0 "[ . 1 . 2 .]" 1
297 1 23 ASP HB3 1 24 ARG H 6.000 . 6.000 3.559 2.094 4.460 . 0 0 "[ . 1 . 2 .]" 1
298 1 24 ARG H 1 24 ARG HA 2.800 . 3.800 2.927 2.870 2.961 . 0 0 "[ . 1 . 2 .]" 1
299 1 24 ARG H 1 24 ARG QB 2.700 . 3.600 2.390 2.195 3.002 . 0 0 "[ . 1 . 2 .]" 1
300 1 24 ARG H 1 24 ARG HD2 6.000 . 6.000 4.546 2.540 5.984 . 0 0 "[ . 1 . 2 .]" 1
301 1 24 ARG H 1 24 ARG HD3 4.900 . 6.000 4.645 2.519 5.971 . 0 0 "[ . 1 . 2 .]" 1
302 1 24 ARG H 1 24 ARG HG2 3.100 . 4.300 3.614 2.090 4.608 0.308 24 0 "[ . 1 . 2 .]" 1
303 1 24 ARG H 1 24 ARG HG3 3.400 . 4.900 3.456 2.382 4.567 . 0 0 "[ . 1 . 2 .]" 1
304 1 24 ARG H 1 25 GLY H 2.200 . 2.800 2.651 2.224 3.033 0.233 24 0 "[ . 1 . 2 .]" 1
305 1 24 ARG H 1 26 TYR H 3.600 . 5.200 3.524 2.931 4.100 . 0 0 "[ . 1 . 2 .]" 1
306 1 24 ARG HA 1 24 ARG QB 4.400 . 6.000 2.393 2.164 2.542 . 0 0 "[ . 1 . 2 .]" 1
307 1 24 ARG HA 1 24 ARG HD2 4.800 . 6.000 3.722 2.082 5.525 . 0 0 "[ . 1 . 2 .]" 1
308 1 24 ARG HA 1 24 ARG HE 4.800 . 6.000 4.648 3.789 5.266 . 0 0 "[ . 1 . 2 .]" 1
309 1 24 ARG HA 1 24 ARG HG3 3.800 . 5.600 3.176 2.265 3.884 . 0 0 "[ . 1 . 2 .]" 1
310 1 24 ARG HA 1 25 GLY H 3.500 . 5.000 3.084 2.771 3.398 . 0 0 "[ . 1 . 2 .]" 1
311 1 24 ARG QB 1 24 ARG HD2 3.500 . 5.000 2.838 2.273 3.484 . 0 0 "[ . 1 . 2 .]" 1
312 1 24 ARG QB 1 24 ARG HD3 3.600 . 5.300 2.818 2.241 3.498 . 0 0 "[ . 1 . 2 .]" 1
313 1 24 ARG QB 1 24 ARG HE 2.800 . 3.800 2.836 1.994 3.941 0.141 11 0 "[ . 1 . 2 .]" 1
314 1 24 ARG QB 1 24 ARG HG2 2.500 . 3.300 2.331 2.132 2.452 . 0 0 "[ . 1 . 2 .]" 1
315 1 24 ARG QB 1 24 ARG HG3 2.100 . 2.700 2.286 2.145 2.443 . 0 0 "[ . 1 . 2 .]" 1
316 1 24 ARG QB 1 25 GLY H 4.000 . 6.000 3.638 3.194 4.049 . 0 0 "[ . 1 . 2 .]" 1
317 1 24 ARG QB 1 26 TYR H 3.600 . 5.200 3.612 2.950 5.271 0.071 6 0 "[ . 1 . 2 .]" 1
318 1 24 ARG HD2 1 24 ARG HE 2.700 . 3.600 2.858 2.618 2.973 . 0 0 "[ . 1 . 2 .]" 1
319 1 24 ARG HD2 1 24 ARG HG2 2.600 . 3.400 2.612 2.356 3.019 . 0 0 "[ . 1 . 2 .]" 1
320 1 24 ARG HD2 1 26 TYR QE 3.900 . 5.800 4.295 2.077 5.654 . 0 0 "[ . 1 . 2 .]" 1
321 1 24 ARG HD3 1 24 ARG HE 2.600 . 3.500 2.661 2.375 2.929 . 0 0 "[ . 1 . 2 .]" 1
322 1 24 ARG HD3 1 24 ARG HG2 2.700 . 3.600 2.600 2.271 3.020 . 0 0 "[ . 1 . 2 .]" 1
323 1 24 ARG HD3 1 26 TYR QE 3.900 . 5.800 4.264 2.271 5.700 . 0 0 "[ . 1 . 2 .]" 1
324 1 24 ARG HE 1 24 ARG HG2 3.200 . 4.500 3.116 2.315 3.727 . 0 0 "[ . 1 . 2 .]" 1
325 1 24 ARG HE 1 24 ARG HG3 3.000 . 4.100 2.902 2.338 3.861 . 0 0 "[ . 1 . 2 .]" 1
326 1 24 ARG HG3 1 25 GLY H 2.700 . 6.000 5.155 4.413 6.008 0.008 3 0 "[ . 1 . 2 .]" 1
327 1 24 ARG HG3 1 26 TYR H 5.000 . 6.000 5.714 4.417 6.347 0.347 5 0 "[ . 1 . 2 .]" 1
328 1 25 GLY H 1 25 GLY HA2 2.800 . 3.800 2.275 2.245 2.345 . 0 0 "[ . 1 . 2 .]" 1
329 1 25 GLY H 1 25 GLY HA3 2.200 . 2.800 2.811 2.619 2.940 0.140 21 0 "[ . 1 . 2 .]" 1
330 1 25 GLY H 1 26 TYR H 2.900 . 4.000 2.720 2.153 3.138 . 0 0 "[ . 1 . 2 .]" 1
331 1 25 GLY HA2 1 26 TYR H 3.500 . 5.100 2.973 2.596 3.501 . 0 0 "[ . 1 . 2 .]" 1
332 1 25 GLY HA3 1 26 TYR H 3.200 . 4.500 3.466 2.980 3.589 . 0 0 "[ . 1 . 2 .]" 1
333 1 26 TYR H 1 26 TYR HA 2.800 . 3.800 2.790 2.634 2.923 . 0 0 "[ . 1 . 2 .]" 1
334 1 26 TYR H 1 26 TYR HB2 2.500 . 3.300 2.519 2.390 2.740 . 0 0 "[ . 1 . 2 .]" 1
335 1 26 TYR H 1 26 TYR HB3 3.700 . 5.400 3.595 3.557 3.653 . 0 0 "[ . 1 . 2 .]" 1
336 1 26 TYR H 1 26 TYR QD 3.200 . 4.500 3.029 2.519 3.355 . 0 0 "[ . 1 . 2 .]" 1
337 1 26 TYR H 1 27 THR H 4.800 . 6.000 4.532 4.390 4.607 . 0 0 "[ . 1 . 2 .]" 1
338 1 26 TYR HA 1 26 TYR HB2 3.000 . 4.100 3.019 3.002 3.029 . 0 0 "[ . 1 . 2 .]" 1
339 1 26 TYR HA 1 26 TYR HB3 2.700 . 3.600 2.486 2.398 2.559 . 0 0 "[ . 1 . 2 .]" 1
340 1 26 TYR HA 1 26 TYR QD 2.100 . 2.600 2.296 1.960 2.680 0.080 8 0 "[ . 1 . 2 .]" 1
341 1 26 TYR HA 1 27 THR H 1.900 . 2.400 2.161 2.128 2.208 . 0 0 "[ . 1 . 2 .]" 1
342 1 26 TYR HB2 1 26 TYR QD 2.000 . 2.500 2.302 2.277 2.346 . 0 0 "[ . 1 . 2 .]" 1
343 1 26 TYR HB2 1 27 THR H 4.200 . 6.000 4.192 3.956 4.375 . 0 0 "[ . 1 . 2 .]" 1
344 1 26 TYR HB2 1 28 GLY H 4.300 . 6.000 5.083 4.349 5.424 . 0 0 "[ . 1 . 2 .]" 1
345 1 26 TYR HB3 1 26 TYR QD 2.600 . 3.400 2.638 2.483 2.750 . 0 0 "[ . 1 . 2 .]" 1
346 1 26 TYR HB3 1 27 THR H 2.700 . 3.600 3.271 2.914 3.552 . 0 0 "[ . 1 . 2 .]" 1
347 1 26 TYR HB3 1 28 GLY H 2.900 . 3.900 3.766 3.093 4.039 0.139 16 0 "[ . 1 . 2 .]" 1
348 1 26 TYR QD 1 27 THR H 3.500 . 5.000 3.833 3.494 4.128 . 0 0 "[ . 1 . 2 .]" 1
349 1 26 TYR QD 1 28 GLY H 4.200 . 6.000 4.902 4.458 5.374 . 0 0 "[ . 1 . 2 .]" 1
350 1 26 TYR QD 1 38 CYS HB2 3.500 . 5.000 3.681 3.308 3.976 . 0 0 "[ . 1 . 2 .]" 1
351 1 26 TYR QD 1 39 THR HA 3.900 . 5.800 3.422 3.141 3.815 . 0 0 "[ . 1 . 2 .]" 1
352 1 26 TYR QD 1 40 PRO HD3 2.800 . 3.800 1.820 1.480 2.070 0.320 20 0 "[ . 1 . 2 .]" 1
353 1 27 THR H 1 27 THR HA 2.800 . 3.700 2.913 2.860 2.960 . 0 0 "[ . 1 . 2 .]" 1
354 1 27 THR H 1 27 THR HB 3.500 . 5.100 2.616 2.503 2.958 . 0 0 "[ . 1 . 2 .]" 1
355 1 27 THR H 1 27 THR MG 3.300 . 4.700 3.583 2.060 3.813 . 0 0 "[ . 1 . 2 .]" 1
356 1 27 THR H 1 28 GLY H 1.900 . 2.400 2.317 1.897 2.525 0.125 8 0 "[ . 1 . 2 .]" 1
357 1 27 THR H 1 40 PRO HD2 2.900 . 6.000 4.939 4.721 5.308 . 0 0 "[ . 1 . 2 .]" 1
358 1 27 THR H 1 40 PRO HD3 2.700 . 6.000 4.307 3.988 4.685 . 0 0 "[ . 1 . 2 .]" 1
359 1 27 THR HA 1 27 THR MG 3.800 . 5.600 2.429 2.300 3.231 . 0 0 "[ . 1 . 2 .]" 1
360 1 27 THR HB 1 27 THR MG 3.400 . 4.900 2.131 2.120 2.135 . 0 0 "[ . 1 . 2 .]" 1
361 1 27 THR HB 1 41 ALA H 3.200 . 6.000 5.957 5.352 6.152 0.152 14 0 "[ . 1 . 2 .]" 1
362 1 27 THR MG 1 28 GLY H 3.800 . 5.600 3.464 2.266 3.862 . 0 0 "[ . 1 . 2 .]" 1
363 1 28 GLY H 1 28 GLY HA2 2.700 . 3.600 2.958 2.902 2.972 . 0 0 "[ . 1 . 2 .]" 1
364 1 28 GLY H 1 28 GLY HA3 2.800 . 3.800 2.448 2.347 2.672 . 0 0 "[ . 1 . 2 .]" 1
365 1 28 GLY H 1 40 PRO HD2 2.700 . 6.000 5.860 5.728 5.992 . 0 0 "[ . 1 . 2 .]" 1
366 1 28 GLY H 1 40 PRO HD3 3.500 . 6.000 5.220 4.966 5.440 . 0 0 "[ . 1 . 2 .]" 1
367 1 28 GLY HA2 1 29 SER H 2.900 . 3.900 2.269 2.140 2.464 . 0 0 "[ . 1 . 2 .]" 1
368 1 28 GLY HA3 1 29 SER H 2.400 . 3.100 2.882 2.621 3.276 0.176 13 0 "[ . 1 . 2 .]" 1
369 1 29 SER H 1 29 SER HA 2.800 . 3.800 2.943 2.914 2.964 . 0 0 "[ . 1 . 2 .]" 1
370 1 29 SER H 1 29 SER HB2 4.500 . 6.000 3.008 2.561 3.779 . 0 0 "[ . 1 . 2 .]" 1
371 1 29 SER H 1 29 SER HB3 3.800 . 5.600 3.419 2.639 3.915 . 0 0 "[ . 1 . 2 .]" 1
372 1 29 SER H 1 39 THR MG 4.600 . 6.000 5.914 4.198 6.114 0.114 9 0 "[ . 1 . 2 .]" 1
373 1 29 SER HA 1 30 CYS H 2.100 . 2.700 2.224 2.128 2.321 . 0 0 "[ . 1 . 2 .]" 1
374 1 29 SER HA 1 37 CYS H 4.400 . 6.000 4.701 4.278 5.099 . 0 0 "[ . 1 . 2 .]" 1
375 1 29 SER HA 1 38 CYS HA 3.300 . 4.600 2.627 2.322 2.959 . 0 0 "[ . 1 . 2 .]" 1
376 1 29 SER HA 1 39 THR H 3.000 . 4.200 3.419 2.972 3.732 . 0 0 "[ . 1 . 2 .]" 1
377 1 29 SER HA 1 39 THR MG 3.900 . 5.800 4.845 3.102 5.206 . 0 0 "[ . 1 . 2 .]" 1
378 1 29 SER HB2 1 30 CYS H 3.000 . 4.100 4.393 4.018 4.557 0.457 22 0 "[ . 1 . 2 .]" 1
379 1 29 SER HB3 1 30 CYS H 3.500 . 5.000 4.185 3.589 4.514 . 0 0 "[ . 1 . 2 .]" 1
380 1 30 CYS H 1 30 CYS HA 2.900 . 4.000 2.941 2.865 2.972 . 0 0 "[ . 1 . 2 .]" 1
381 1 30 CYS H 1 30 CYS HB2 3.200 . 4.500 2.645 2.495 2.836 . 0 0 "[ . 1 . 2 .]" 1
382 1 30 CYS H 1 30 CYS HB3 3.800 . 5.600 3.679 3.592 3.832 . 0 0 "[ . 1 . 2 .]" 1
383 1 30 CYS H 1 37 CYS H 2.800 . 3.800 3.584 2.892 3.882 0.082 17 0 "[ . 1 . 2 .]" 1
384 1 30 CYS H 1 37 CYS HB2 4.800 . 6.000 4.205 2.531 4.917 . 0 0 "[ . 1 . 2 .]" 1
385 1 30 CYS H 1 37 CYS HB3 3.100 . 4.300 3.042 2.596 3.852 . 0 0 "[ . 1 . 2 .]" 1
386 1 30 CYS HA 1 30 CYS HB2 2.700 . 3.600 3.022 2.998 3.033 . 0 0 "[ . 1 . 2 .]" 1
387 1 30 CYS HA 1 30 CYS HB3 2.700 . 3.600 2.387 2.303 2.437 . 0 0 "[ . 1 . 2 .]" 1
388 1 30 CYS HA 1 31 ARG H 2.300 . 3.000 2.351 2.221 2.563 . 0 0 "[ . 1 . 2 .]" 1
389 1 30 CYS HB2 1 31 ARG H 3.100 . 4.300 3.678 3.258 4.020 . 0 0 "[ . 1 . 2 .]" 1
390 1 30 CYS HB2 1 39 THR MG 2.900 . 6.000 4.292 3.714 4.745 . 0 0 "[ . 1 . 2 .]" 1
391 1 30 CYS HB3 1 31 ARG H 2.600 . 3.400 2.781 2.210 3.196 . 0 0 "[ . 1 . 2 .]" 1
392 1 30 CYS HB3 1 39 THR MG 2.200 . 6.000 5.531 4.771 5.941 . 0 0 "[ . 1 . 2 .]" 1
393 1 31 ARG H 1 31 ARG QB 2.200 . 2.800 2.340 2.181 2.483 . 0 0 "[ . 1 . 2 .]" 1
394 1 31 ARG H 1 31 ARG QD 6.000 . 6.000 4.372 4.161 4.652 . 0 0 "[ . 1 . 2 .]" 1
395 1 31 ARG H 1 31 ARG QG 3.900 . 5.800 4.021 3.747 4.172 . 0 0 "[ . 1 . 2 .]" 1
396 1 31 ARG HA 1 31 ARG QB 3.100 . 4.300 2.355 2.281 2.548 . 0 0 "[ . 1 . 2 .]" 1
397 1 31 ARG HA 1 31 ARG QG 4.400 . 6.000 2.684 2.263 3.137 . 0 0 "[ . 1 . 2 .]" 1
398 1 31 ARG HA 1 32 TYR H 2.000 . 2.500 2.136 2.078 2.183 . 0 0 "[ . 1 . 2 .]" 1
399 1 31 ARG HA 1 37 CYS H 3.300 . 4.600 3.122 2.537 3.544 . 0 0 "[ . 1 . 2 .]" 1
400 1 31 ARG QB 1 31 ARG QD 2.500 . 3.300 2.336 2.123 2.853 . 0 0 "[ . 1 . 2 .]" 1
401 1 31 ARG QB 1 31 ARG HE 3.400 . 4.900 3.988 2.688 4.245 . 0 0 "[ . 1 . 2 .]" 1
402 1 31 ARG QB 1 31 ARG QG 2.300 . 3.000 2.016 1.968 2.095 . 0 0 "[ . 1 . 2 .]" 1
403 1 31 ARG QB 1 32 TYR H 3.500 . 5.000 3.803 3.616 3.964 . 0 0 "[ . 1 . 2 .]" 1
404 1 31 ARG QD 1 32 TYR H 3.800 . 5.600 3.127 2.154 4.774 . 0 0 "[ . 1 . 2 .]" 1
405 1 31 ARG HE 1 31 ARG QG 3.800 . 5.600 2.479 2.190 3.212 . 0 0 "[ . 1 . 2 .]" 1
406 1 31 ARG HE 1 34 LEU MD1 3.800 . 6.000 6.065 5.904 6.149 0.149 24 0 "[ . 1 . 2 .]" 1
407 1 31 ARG HE 1 34 LEU MD2 3.900 . 6.000 6.083 5.945 6.266 0.266 17 0 "[ . 1 . 2 .]" 1
408 1 31 ARG QG 1 32 TYR H 3.800 . 5.600 3.216 2.302 4.331 . 0 0 "[ . 1 . 2 .]" 1
409 1 32 TYR H 1 32 TYR HA 2.400 . 3.100 2.942 2.900 2.961 . 0 0 "[ . 1 . 2 .]" 1
410 1 32 TYR H 1 32 TYR HB2 2.700 . 3.600 2.611 2.310 2.817 . 0 0 "[ . 1 . 2 .]" 1
411 1 32 TYR H 1 32 TYR HB3 3.100 . 4.300 2.757 2.577 3.079 . 0 0 "[ . 1 . 2 .]" 1
412 1 32 TYR H 1 32 TYR QD 4.900 . 6.000 4.256 4.073 4.364 . 0 0 "[ . 1 . 2 .]" 1
413 1 32 TYR H 1 33 PHE H 4.500 . 6.000 4.508 4.435 4.590 . 0 0 "[ . 1 . 2 .]" 1
414 1 32 TYR H 1 35 GLY H 4.400 . 6.000 3.462 3.179 3.773 . 0 0 "[ . 1 . 2 .]" 1
415 1 32 TYR H 1 36 THR HA 2.700 . 3.600 2.944 2.700 3.264 . 0 0 "[ . 1 . 2 .]" 1
416 1 32 TYR H 1 36 THR MG 4.900 . 6.000 4.591 4.310 4.928 . 0 0 "[ . 1 . 2 .]" 1
417 1 32 TYR H 1 37 CYS H 3.700 . 5.400 2.944 2.466 3.565 . 0 0 "[ . 1 . 2 .]" 1
418 1 32 TYR HA 1 32 TYR QD 2.700 . 3.600 2.855 2.558 3.037 . 0 0 "[ . 1 . 2 .]" 1
419 1 32 TYR HA 1 32 TYR QE 4.500 . 6.000 4.516 4.343 4.635 . 0 0 "[ . 1 . 2 .]" 1
420 1 32 TYR HA 1 33 PHE H 2.200 . 2.800 2.350 2.269 2.432 . 0 0 "[ . 1 . 2 .]" 1
421 1 32 TYR HB2 1 32 TYR QD 2.400 . 3.100 2.428 2.350 2.558 . 0 0 "[ . 1 . 2 .]" 1
422 1 32 TYR HB2 1 32 TYR QE 3.500 . 5.000 4.418 4.395 4.448 . 0 0 "[ . 1 . 2 .]" 1
423 1 32 TYR HB2 1 33 PHE H 3.800 . 5.600 4.063 3.951 4.189 . 0 0 "[ . 1 . 2 .]" 1
424 1 32 TYR HB2 1 37 CYS H 3.500 . 5.000 3.297 2.914 3.944 . 0 0 "[ . 1 . 2 .]" 1
425 1 32 TYR HB3 1 32 TYR QD 2.400 . 3.100 2.397 2.316 2.462 . 0 0 "[ . 1 . 2 .]" 1
426 1 32 TYR HB3 1 32 TYR QE 4.300 . 6.000 4.425 4.404 4.442 . 0 0 "[ . 1 . 2 .]" 1
427 1 32 TYR HB3 1 33 PHE H 3.700 . 5.400 3.490 2.991 3.745 . 0 0 "[ . 1 . 2 .]" 1
428 1 32 TYR HB3 1 37 CYS H 4.300 . 6.000 4.186 3.616 5.068 . 0 0 "[ . 1 . 2 .]" 1
429 1 32 TYR QD 1 33 PHE QB 3.400 . 4.800 3.258 2.950 3.744 . 0 0 "[ . 1 . 2 .]" 1
430 1 32 TYR QD 1 34 LEU QB 3.400 . 4.800 3.084 2.414 4.481 . 0 0 "[ . 1 . 2 .]" 1
431 1 32 TYR QD 1 34 LEU MD1 3.700 . 5.400 4.670 4.298 5.338 . 0 0 "[ . 1 . 2 .]" 1
432 1 32 TYR QD 1 34 LEU MD2 3.100 . 4.300 2.595 2.194 3.191 . 0 0 "[ . 1 . 2 .]" 1
433 1 32 TYR QD 1 37 CYS H 5.000 . 6.000 5.008 4.707 5.519 . 0 0 "[ . 1 . 2 .]" 1
434 1 32 TYR QD 1 37 CYS HB2 3.000 . 4.100 3.138 2.427 4.286 0.186 22 0 "[ . 1 . 2 .]" 1
435 1 32 TYR QD 1 37 CYS HB3 4.200 . 6.000 4.090 3.589 4.696 . 0 0 "[ . 1 . 2 .]" 1
436 1 32 TYR QE 1 33 PHE QB 3.900 . 5.800 3.578 3.159 4.339 . 0 0 "[ . 1 . 2 .]" 1
437 1 32 TYR QE 1 37 CYS HB3 3.600 . 6.000 6.009 5.367 6.292 0.292 1 0 "[ . 1 . 2 .]" 1
438 1 33 PHE H 1 33 PHE HA 2.300 . 3.000 2.719 2.688 2.772 . 0 0 "[ . 1 . 2 .]" 1
439 1 33 PHE H 1 33 PHE QB 2.800 . 3.800 2.454 2.148 2.706 . 0 0 "[ . 1 . 2 .]" 1
440 1 33 PHE H 1 33 PHE QD 3.300 . 4.700 3.089 2.244 4.140 . 0 0 "[ . 1 . 2 .]" 1
441 1 33 PHE H 1 34 LEU H 4.100 . 6.000 2.990 2.853 3.097 . 0 0 "[ . 1 . 2 .]" 1
442 1 33 PHE HA 1 33 PHE QB 2.800 . 3.700 2.373 2.314 2.439 . 0 0 "[ . 1 . 2 .]" 1
443 1 33 PHE HA 1 33 PHE QD 2.800 . 3.800 2.690 2.426 2.887 . 0 0 "[ . 1 . 2 .]" 1
444 1 33 PHE HA 1 34 LEU H 3.200 . 4.400 3.547 3.425 3.580 . 0 0 "[ . 1 . 2 .]" 1
445 1 33 PHE QB 1 33 PHE QD 2.400 . 3.100 2.135 2.125 2.158 . 0 0 "[ . 1 . 2 .]" 1
446 1 33 PHE QB 1 34 LEU H 2.300 . 3.000 2.630 2.388 3.139 0.139 18 0 "[ . 1 . 2 .]" 1
447 1 33 PHE QB 1 35 GLY H 4.300 . 6.000 4.595 4.440 4.801 . 0 0 "[ . 1 . 2 .]" 1
448 1 34 LEU H 1 34 LEU HA 3.000 . 4.100 2.925 2.897 2.956 . 0 0 "[ . 1 . 2 .]" 1
449 1 34 LEU H 1 34 LEU QB 2.700 . 3.600 2.430 2.351 2.519 . 0 0 "[ . 1 . 2 .]" 1
450 1 34 LEU H 1 34 LEU MD1 4.000 . 6.000 3.342 3.106 3.779 . 0 0 "[ . 1 . 2 .]" 1
451 1 34 LEU H 1 34 LEU MD2 4.000 . 6.000 2.157 2.030 2.431 . 0 0 "[ . 1 . 2 .]" 1
452 1 34 LEU H 1 34 LEU HG 3.500 . 5.100 4.163 4.054 4.375 . 0 0 "[ . 1 . 2 .]" 1
453 1 34 LEU H 1 35 GLY H 3.000 . 4.100 2.460 2.115 2.641 . 0 0 "[ . 1 . 2 .]" 1
454 1 34 LEU HA 1 34 LEU QB 3.500 . 5.100 2.366 2.333 2.396 . 0 0 "[ . 1 . 2 .]" 1
455 1 34 LEU HA 1 34 LEU MD1 3.400 . 4.800 2.028 1.963 2.084 0.037 21 0 "[ . 1 . 2 .]" 1
456 1 34 LEU HA 1 35 GLY H 3.600 . 5.200 3.320 3.145 3.457 . 0 0 "[ . 1 . 2 .]" 1
457 1 34 LEU QB 1 34 LEU MD1 2.400 . 3.100 2.412 2.343 2.454 . 0 0 "[ . 1 . 2 .]" 1
458 1 34 LEU QB 1 34 LEU MD2 2.200 . 2.800 2.171 2.100 2.212 . 0 0 "[ . 1 . 2 .]" 1
459 1 34 LEU QB 1 34 LEU HG 2.400 . 3.100 2.150 2.141 2.159 . 0 0 "[ . 1 . 2 .]" 1
460 1 34 LEU QB 1 35 GLY H 3.600 . 5.200 3.411 3.111 3.706 . 0 0 "[ . 1 . 2 .]" 1
461 1 34 LEU MD1 1 34 LEU MD2 2.000 . 2.500 2.091 2.063 2.111 . 0 0 "[ . 1 . 2 .]" 1
462 1 34 LEU MD2 1 34 LEU HG 2.200 . 2.800 2.114 2.072 2.124 . 0 0 "[ . 1 . 2 .]" 1
463 1 36 THR H 1 36 THR HA 3.000 . 4.100 2.936 2.889 2.957 . 0 0 "[ . 1 . 2 .]" 1
464 1 36 THR H 1 36 THR HB 2.500 . 3.300 2.668 2.508 2.808 . 0 0 "[ . 1 . 2 .]" 1
465 1 36 THR H 1 36 THR MG 4.900 . 6.000 3.814 3.767 3.867 . 0 0 "[ . 1 . 2 .]" 1
466 1 36 THR HA 1 36 THR MG 2.600 . 3.500 2.286 2.210 2.359 . 0 0 "[ . 1 . 2 .]" 1
467 1 36 THR HA 1 37 CYS H 2.100 . 2.600 2.144 2.108 2.206 . 0 0 "[ . 1 . 2 .]" 1
468 1 36 THR HB 1 36 THR MG 2.300 . 3.000 2.132 2.127 2.135 . 0 0 "[ . 1 . 2 .]" 1
469 1 36 THR HB 1 37 CYS H 4.700 . 6.000 4.227 3.997 4.324 . 0 0 "[ . 1 . 2 .]" 1
470 1 36 THR MG 1 37 CYS H 2.500 . 3.300 2.987 2.513 3.268 . 0 0 "[ . 1 . 2 .]" 1
471 1 37 CYS H 1 37 CYS HA 2.900 . 3.900 2.887 2.856 2.950 . 0 0 "[ . 1 . 2 .]" 1
472 1 37 CYS H 1 37 CYS HB2 2.800 . 3.800 2.676 2.151 3.069 . 0 0 "[ . 1 . 2 .]" 1
473 1 37 CYS H 1 37 CYS HB3 2.500 . 3.300 2.617 2.339 3.563 0.263 25 0 "[ . 1 . 2 .]" 1
474 1 37 CYS HA 1 37 CYS HB2 2.400 . 3.100 2.510 2.362 2.990 . 0 0 "[ . 1 . 2 .]" 1
475 1 37 CYS HA 1 38 CYS H 2.000 . 2.500 2.177 2.121 2.229 . 0 0 "[ . 1 . 2 .]" 1
476 1 38 CYS H 1 38 CYS HA 2.900 . 3.900 2.934 2.903 2.959 . 0 0 "[ . 1 . 2 .]" 1
477 1 38 CYS H 1 38 CYS HB2 2.700 . 3.600 2.482 2.371 2.651 . 0 0 "[ . 1 . 2 .]" 1
478 1 38 CYS H 1 38 CYS HB3 3.000 . 4.100 3.628 3.568 3.759 . 0 0 "[ . 1 . 2 .]" 1
479 1 38 CYS H 1 39 THR MG 4.100 . 6.000 3.950 3.442 4.525 . 0 0 "[ . 1 . 2 .]" 1
480 1 38 CYS HA 1 38 CYS HB2 2.800 . 3.800 3.024 3.016 3.034 . 0 0 "[ . 1 . 2 .]" 1
481 1 38 CYS HA 1 38 CYS HB3 2.900 . 3.900 2.444 2.385 2.507 . 0 0 "[ . 1 . 2 .]" 1
482 1 38 CYS HA 1 39 THR H 2.000 . 2.500 2.162 2.130 2.189 . 0 0 "[ . 1 . 2 .]" 1
483 1 38 CYS HB2 1 39 THR H 3.900 . 5.800 4.394 4.331 4.472 . 0 0 "[ . 1 . 2 .]" 1
484 1 38 CYS HB3 1 39 THR H 4.400 . 6.000 3.693 3.524 3.919 . 0 0 "[ . 1 . 2 .]" 1
485 1 39 THR H 1 39 THR HA 2.800 . 3.800 2.935 2.910 2.946 . 0 0 "[ . 1 . 2 .]" 1
486 1 39 THR H 1 39 THR HB 3.700 . 5.400 3.634 3.308 3.711 . 0 0 "[ . 1 . 2 .]" 1
487 1 39 THR H 1 39 THR MG 2.500 . 3.300 2.952 2.092 3.285 . 0 0 "[ . 1 . 2 .]" 1
488 1 39 THR HA 1 39 THR MG 2.400 . 3.100 2.278 2.073 3.164 0.064 21 0 "[ . 1 . 2 .]" 1
489 1 39 THR HA 1 41 ALA H 4.100 . 6.000 5.024 4.584 6.006 0.006 17 0 "[ . 1 . 2 .]" 1
490 1 39 THR HB 1 41 ALA H 4.000 . 6.000 5.639 5.286 6.243 0.243 21 0 "[ . 1 . 2 .]" 1
491 1 39 THR MG 1 41 ALA H 5.000 . 6.000 5.967 5.721 6.163 0.163 17 0 "[ . 1 . 2 .]" 1
492 1 40 PRO HB2 1 40 PRO HG2 2.200 . 2.800 2.289 2.261 2.316 . 0 0 "[ . 1 . 2 .]" 1
493 1 40 PRO HB2 1 40 PRO HG3 3.000 . 4.100 2.797 2.686 2.849 . 0 0 "[ . 1 . 2 .]" 1
494 1 40 PRO HB2 1 41 ALA H 2.400 . 3.100 1.905 1.782 2.120 . 0 0 "[ . 1 . 2 .]" 1
495 1 40 PRO HB2 1 42 ASP H 4.300 . 6.000 3.849 3.182 4.797 . 0 0 "[ . 1 . 2 .]" 1
496 1 40 PRO HB3 1 40 PRO HG3 2.400 . 3.100 2.240 2.223 2.280 . 0 0 "[ . 1 . 2 .]" 1
497 1 40 PRO HB3 1 41 ALA H 4.000 . 6.000 3.337 3.249 3.478 . 0 0 "[ . 1 . 2 .]" 1
498 1 40 PRO HB3 1 42 ASP H 6.000 . 6.000 5.049 4.365 6.082 0.082 21 0 "[ . 1 . 2 .]" 1
499 1 40 PRO HD2 1 40 PRO HG2 2.600 . 3.500 2.239 2.208 2.272 . 0 0 "[ . 1 . 2 .]" 1
500 1 40 PRO HD3 1 40 PRO HG3 2.900 . 4.000 2.285 2.265 2.306 . 0 0 "[ . 1 . 2 .]" 1
501 1 41 ALA H 1 41 ALA HA 2.600 . 3.400 2.835 2.701 2.949 . 0 0 "[ . 1 . 2 .]" 1
502 1 41 ALA H 1 41 ALA MB 2.400 . 3.100 2.778 2.521 2.947 . 0 0 "[ . 1 . 2 .]" 1
503 1 41 ALA H 1 42 ASP H 3.100 . 4.300 2.150 1.735 3.344 0.165 15 0 "[ . 1 . 2 .]" 1
504 1 41 ALA HA 1 42 ASP H 2.300 . 3.000 2.796 2.357 3.184 0.184 15 0 "[ . 1 . 2 .]" 1
505 1 41 ALA MB 1 42 ASP H 3.400 . 4.800 3.654 3.370 3.739 . 0 0 "[ . 1 . 2 .]" 1
506 1 42 ASP H 1 42 ASP HA 2.800 . 3.800 2.918 2.868 2.959 . 0 0 "[ . 1 . 2 .]" 1
507 1 42 ASP H 1 42 ASP QB 3.000 . 4.100 2.445 2.243 2.883 . 0 0 "[ . 1 . 2 .]" 1
508 1 42 ASP HA 1 42 ASP QB 3.400 . 4.900 2.384 2.166 2.506 . 0 0 "[ . 1 . 2 .]" 1
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