Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573673 | 2m3j RC | 18965 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3j
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 514
_Distance_constraint_stats_list.Viol_count 1035
_Distance_constraint_stats_list.Viol_total 500.209
_Distance_constraint_stats_list.Viol_max 0.097
_Distance_constraint_stats_list.Viol_rms 0.0098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0242
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 CYS 1.099 0.067 10 0 "[ . 1 . 2]"
1 2 PRO 1.004 0.043 18 0 "[ . 1 . 2]"
1 3 GLY 1.836 0.074 16 0 "[ . 1 . 2]"
1 4 GLU 1.365 0.047 10 0 "[ . 1 . 2]"
1 5 GLY 0.574 0.036 14 0 "[ . 1 . 2]"
1 6 GLU 0.845 0.053 19 0 "[ . 1 . 2]"
1 7 GLN 1.874 0.079 6 0 "[ . 1 . 2]"
1 8 CYS 0.431 0.039 2 0 "[ . 1 . 2]"
1 9 ASP 0.825 0.063 10 0 "[ . 1 . 2]"
1 10 VAL 1.108 0.042 3 0 "[ . 1 . 2]"
1 11 GLU 0.536 0.031 1 0 "[ . 1 . 2]"
1 12 PHE 0.326 0.065 1 0 "[ . 1 . 2]"
1 13 ASN 3.620 0.097 7 0 "[ . 1 . 2]"
1 14 PRO 0.669 0.062 4 0 "[ . 1 . 2]"
1 15 CYS 2.879 0.070 4 0 "[ . 1 . 2]"
1 16 CYS 1.352 0.074 16 0 "[ . 1 . 2]"
1 17 PRO 0.116 0.018 3 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 1.396 0.047 10 0 "[ . 1 . 2]"
1 20 THR 4.169 0.086 18 0 "[ . 1 . 2]"
1 21 CYS 0.186 0.020 16 0 "[ . 1 . 2]"
1 22 ILE 3.351 0.056 20 0 "[ . 1 . 2]"
1 23 PRO 0.285 0.019 10 0 "[ . 1 . 2]"
1 24 GLY 0.469 0.029 17 0 "[ . 1 . 2]"
1 25 ASP 0.750 0.036 4 0 "[ . 1 . 2]"
1 26 PRO 0.901 0.045 5 0 "[ . 1 . 2]"
1 27 TYR 1.352 0.045 5 0 "[ . 1 . 2]"
1 28 GLY 4.022 0.097 11 0 "[ . 1 . 2]"
1 29 ILE 2.391 0.097 11 0 "[ . 1 . 2]"
1 30 CYS 0.964 0.053 19 0 "[ . 1 . 2]"
1 31 TYR 4.631 0.086 18 0 "[ . 1 . 2]"
1 32 ILE 1.116 0.047 4 0 "[ . 1 . 2]"
1 33 ILE 0.818 0.030 3 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 CYS HA 1 2 PRO HD2 3.200 . 3.200 2.661 2.583 2.739 . 0 0 "[ . 1 . 2]" 1
2 1 1 CYS HA 1 2 PRO HD3 3.010 . 3.010 2.331 2.217 2.527 . 0 0 "[ . 1 . 2]" 1
3 1 1 CYS HA 1 13 ASN HD22 5.200 . 5.200 3.331 2.903 3.944 . 0 0 "[ . 1 . 2]" 1
4 1 1 CYS HA 1 16 CYS H 5.440 . 5.440 4.723 4.549 4.831 . 0 0 "[ . 1 . 2]" 1
5 1 1 CYS HB2 1 2 PRO HD2 3.540 . 3.540 2.320 2.297 2.340 . 0 0 "[ . 1 . 2]" 1
6 1 1 CYS HB2 1 2 PRO HD3 5.500 . 5.500 3.561 3.422 3.751 . 0 0 "[ . 1 . 2]" 1
7 1 1 CYS HB2 1 15 CYS HA 4.440 . 4.440 3.921 3.394 4.195 . 0 0 "[ . 1 . 2]" 1
8 1 1 CYS HB2 1 16 CYS H 3.280 . 3.280 2.510 2.081 2.725 . 0 0 "[ . 1 . 2]" 1
9 1 1 CYS HB2 1 16 CYS HA 3.460 . 3.460 3.229 2.734 3.475 0.015 3 0 "[ . 1 . 2]" 1
10 1 1 CYS HB3 1 2 PRO HD2 3.830 . 3.830 3.188 2.683 3.490 . 0 0 "[ . 1 . 2]" 1
11 1 1 CYS HB3 1 2 PRO HD3 4.330 . 4.330 3.973 3.792 4.139 . 0 0 "[ . 1 . 2]" 1
12 1 1 CYS HB3 1 15 CYS HA 5.500 . 5.500 5.210 4.462 5.567 0.067 10 0 "[ . 1 . 2]" 1
13 1 1 CYS HB3 1 16 CYS H 4.280 . 4.280 4.121 3.714 4.317 0.037 4 0 "[ . 1 . 2]" 1
14 1 1 CYS HB3 1 16 CYS HA 5.500 . 5.500 4.069 3.748 4.248 . 0 0 "[ . 1 . 2]" 1
15 1 2 PRO HA 1 3 GLY H 2.810 . 2.810 2.630 2.616 2.649 . 0 0 "[ . 1 . 2]" 1
16 1 2 PRO HA 1 13 ASN HD22 5.500 . 5.500 4.670 4.527 4.852 . 0 0 "[ . 1 . 2]" 1
17 1 2 PRO HA 1 16 CYS H 5.500 . 5.500 5.018 4.651 5.214 . 0 0 "[ . 1 . 2]" 1
18 1 2 PRO QB 1 13 ASN HD22 4.560 . 4.560 3.279 3.138 3.380 . 0 0 "[ . 1 . 2]" 1
19 1 2 PRO QB 1 15 CYS HA 5.470 . 5.470 4.154 4.094 4.204 . 0 0 "[ . 1 . 2]" 1
20 1 2 PRO HD2 1 8 CYS HA 5.500 . 5.500 4.778 4.364 5.151 . 0 0 "[ . 1 . 2]" 1
21 1 2 PRO HD2 1 13 ASN HA 5.080 . 5.080 4.800 4.355 5.088 0.008 10 0 "[ . 1 . 2]" 1
22 1 2 PRO HD2 1 13 ASN HD22 4.900 . 4.900 3.398 3.170 3.521 . 0 0 "[ . 1 . 2]" 1
23 1 2 PRO HD2 1 15 CYS HA 3.620 . 3.620 2.919 2.798 3.119 . 0 0 "[ . 1 . 2]" 1
24 1 2 PRO HD2 1 16 CYS H 3.600 . 3.600 2.863 2.699 3.121 . 0 0 "[ . 1 . 2]" 1
25 1 2 PRO HD3 1 13 ASN HB2 5.050 . 5.050 5.072 5.057 5.084 0.034 19 0 "[ . 1 . 2]" 1
26 1 2 PRO HD3 1 13 ASN HD22 4.170 . 4.170 1.740 1.684 1.821 . 0 0 "[ . 1 . 2]" 1
27 1 2 PRO HD3 1 15 CYS HA 4.910 . 4.910 4.405 4.262 4.632 . 0 0 "[ . 1 . 2]" 1
28 1 2 PRO HD3 1 16 CYS H 4.980 . 4.980 4.521 4.438 4.636 . 0 0 "[ . 1 . 2]" 1
29 1 2 PRO HG2 1 3 GLY H 3.860 . 3.860 3.885 3.875 3.903 0.043 18 0 "[ . 1 . 2]" 1
30 1 2 PRO HG2 1 8 CYS HB2 5.290 . 5.290 3.665 3.538 3.835 . 0 0 "[ . 1 . 2]" 1
31 1 2 PRO HG2 1 13 ASN HD22 4.540 . 4.540 4.191 3.955 4.391 . 0 0 "[ . 1 . 2]" 1
32 1 2 PRO HG2 1 15 CYS HA 3.890 . 3.890 2.266 2.211 2.343 . 0 0 "[ . 1 . 2]" 1
33 1 2 PRO HG3 1 8 CYS HB2 5.470 . 5.470 3.373 3.185 3.764 . 0 0 "[ . 1 . 2]" 1
34 1 2 PRO HG3 1 9 ASP H 5.140 . 5.140 3.920 3.678 4.285 . 0 0 "[ . 1 . 2]" 1
35 1 2 PRO HG3 1 13 ASN HD22 4.710 . 4.710 2.815 2.467 3.109 . 0 0 "[ . 1 . 2]" 1
36 1 2 PRO HG3 1 15 CYS HA 3.860 . 3.860 3.728 3.631 3.875 0.015 17 0 "[ . 1 . 2]" 1
37 1 3 GLY H 1 4 GLU H 4.600 . 4.600 4.251 4.205 4.295 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLY H 1 6 GLU QB 3.590 . 3.590 2.233 1.984 2.693 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLY H 1 16 CYS H 5.370 . 5.370 5.201 4.949 5.336 . 0 0 "[ . 1 . 2]" 1
40 1 3 GLY HA2 1 4 GLU H 2.870 . 2.870 2.853 2.814 2.895 0.025 5 0 "[ . 1 . 2]" 1
41 1 3 GLY HA2 1 16 CYS H 4.160 . 4.160 3.986 3.826 4.086 . 0 0 "[ . 1 . 2]" 1
42 1 3 GLY HA2 1 16 CYS HB2 4.180 . 4.180 4.160 3.976 4.254 0.074 16 0 "[ . 1 . 2]" 1
43 1 3 GLY HA2 1 17 PRO QD 4.430 . 4.430 2.259 2.112 2.354 . 0 0 "[ . 1 . 2]" 1
44 1 3 GLY HA2 1 19 LEU MD1 3.740 . 3.740 3.749 3.696 3.776 0.036 2 0 "[ . 1 . 2]" 1
45 1 3 GLY HA3 1 4 GLU H 2.670 . 2.670 2.339 2.294 2.388 . 0 0 "[ . 1 . 2]" 1
46 1 3 GLY HA3 1 16 CYS H 5.500 . 5.500 5.437 5.278 5.517 0.017 4 0 "[ . 1 . 2]" 1
47 1 4 GLU H 1 4 GLU QB 2.520 . 2.520 2.197 2.165 2.211 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLU H 1 4 GLU HG2 4.680 . 4.680 4.578 4.563 4.590 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU H 1 4 GLU QG 3.930 . 3.930 3.926 3.892 3.941 0.011 1 0 "[ . 1 . 2]" 1
50 1 4 GLU H 1 4 GLU HG3 4.680 . 4.680 4.272 4.221 4.294 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLU H 1 5 GLY H 4.680 . 4.680 4.554 4.509 4.605 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLU H 1 6 GLU H 4.920 . 4.920 4.893 4.536 4.934 0.014 10 0 "[ . 1 . 2]" 1
53 1 4 GLU H 1 19 LEU MD1 3.140 . 3.140 3.176 3.163 3.187 0.047 10 0 "[ . 1 . 2]" 1
54 1 4 GLU H 1 30 CYS HB3 4.960 . 4.960 4.616 4.315 4.872 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU HA 1 4 GLU QG 3.650 . 3.650 2.296 2.276 2.337 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLU HA 1 5 GLY H 2.480 . 2.480 2.156 2.134 2.195 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU HA 1 6 GLU H 4.010 . 4.010 3.453 3.335 3.520 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLU HA 1 19 LEU MD1 3.600 . 3.600 2.475 2.300 2.677 . 0 0 "[ . 1 . 2]" 1
59 1 4 GLU HA 1 29 ILE MG 4.860 . 4.860 4.829 4.677 4.867 0.007 11 0 "[ . 1 . 2]" 1
60 1 4 GLU HA 1 30 CYS H 4.660 . 4.660 4.592 4.339 4.678 0.018 4 0 "[ . 1 . 2]" 1
61 1 4 GLU HA 1 30 CYS HB3 3.870 . 3.870 2.605 2.215 2.814 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLU QB 1 5 GLY H 3.790 . 3.790 3.688 3.544 3.771 . 0 0 "[ . 1 . 2]" 1
63 1 4 GLU QG 1 5 GLY H 3.750 . 3.750 2.855 2.612 3.024 . 0 0 "[ . 1 . 2]" 1
64 1 4 GLU QG 1 31 TYR HA 4.280 . 4.280 3.915 3.644 4.041 . 0 0 "[ . 1 . 2]" 1
65 1 4 GLU QG 1 31 TYR QD 4.510 . 4.510 4.473 4.305 4.533 0.023 4 0 "[ . 1 . 2]" 1
66 1 4 GLU QG 1 32 ILE H 5.340 . 5.340 5.273 5.090 5.345 0.005 7 0 "[ . 1 . 2]" 1
67 1 4 GLU HG2 1 31 TYR HA 5.020 . 5.020 4.969 4.672 5.032 0.012 1 0 "[ . 1 . 2]" 1
68 1 4 GLU HG3 1 31 TYR HA 5.020 . 5.020 4.099 3.802 4.259 . 0 0 "[ . 1 . 2]" 1
69 1 5 GLY H 1 5 GLY HA2 2.910 . 2.910 2.345 2.326 2.381 . 0 0 "[ . 1 . 2]" 1
70 1 5 GLY H 1 6 GLU H 3.130 . 3.130 2.411 2.308 2.583 . 0 0 "[ . 1 . 2]" 1
71 1 5 GLY H 1 30 CYS H 4.100 . 4.100 3.760 3.597 3.994 . 0 0 "[ . 1 . 2]" 1
72 1 5 GLY H 1 30 CYS HB2 3.870 . 3.870 3.163 2.773 3.892 0.022 14 0 "[ . 1 . 2]" 1
73 1 5 GLY H 1 30 CYS HB3 4.210 . 4.210 3.580 2.827 3.880 . 0 0 "[ . 1 . 2]" 1
74 1 5 GLY H 1 31 TYR HA 5.230 . 5.230 4.943 4.884 5.044 . 0 0 "[ . 1 . 2]" 1
75 1 5 GLY H 1 31 TYR QD 5.020 . 5.020 5.044 5.027 5.056 0.036 14 0 "[ . 1 . 2]" 1
76 1 5 GLY HA2 1 29 ILE MG 4.340 . 4.340 3.122 2.861 3.526 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLU H 1 6 GLU HB2 3.840 . 3.840 2.621 2.386 2.846 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLU H 1 6 GLU QB 3.010 . 3.010 2.535 2.355 2.581 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLU H 1 6 GLU HB3 3.840 . 3.840 3.576 2.955 3.757 . 0 0 "[ . 1 . 2]" 1
80 1 6 GLU H 1 7 GLN H 4.670 . 4.670 4.494 4.480 4.558 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLU H 1 29 ILE MG 3.920 . 3.920 3.135 2.977 3.530 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLU H 1 30 CYS H 3.750 . 3.750 3.228 3.007 3.758 0.008 12 0 "[ . 1 . 2]" 1
83 1 6 GLU H 1 30 CYS HB3 4.320 . 4.320 4.162 3.454 4.373 0.053 19 0 "[ . 1 . 2]" 1
84 1 6 GLU HA 1 6 GLU QG 3.490 . 3.490 2.362 2.298 2.560 . 0 0 "[ . 1 . 2]" 1
85 1 6 GLU HA 1 7 GLN H 2.650 . 2.650 2.432 2.398 2.466 . 0 0 "[ . 1 . 2]" 1
86 1 6 GLU HA 1 29 ILE MG 4.990 . 4.990 3.450 3.326 3.590 . 0 0 "[ . 1 . 2]" 1
87 1 6 GLU QB 1 7 GLN H 3.590 . 3.590 2.557 2.348 3.163 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLU QB 1 30 CYS H 5.010 . 5.010 4.492 4.402 4.637 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLU QG 1 7 GLN H 3.840 . 3.840 3.309 1.803 3.674 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLN H 1 7 GLN QB 2.770 . 2.770 2.330 2.176 2.523 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLN H 1 7 GLN HG2 4.200 . 4.200 3.899 3.406 4.208 0.008 17 0 "[ . 1 . 2]" 1
92 1 7 GLN H 1 7 GLN HG3 4.480 . 4.480 4.180 2.837 4.559 0.079 6 0 "[ . 1 . 2]" 1
93 1 7 GLN H 1 29 ILE MD 4.350 . 4.350 4.098 3.985 4.358 0.008 9 0 "[ . 1 . 2]" 1
94 1 7 GLN H 1 29 ILE MG 4.440 . 4.440 3.909 3.716 3.980 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLN H 1 30 CYS H 5.340 . 5.340 5.118 5.062 5.168 . 0 0 "[ . 1 . 2]" 1
96 1 7 GLN HA 1 7 GLN HG2 4.180 . 4.180 3.535 2.836 3.663 . 0 0 "[ . 1 . 2]" 1
97 1 7 GLN HA 1 8 CYS H 2.540 . 2.540 2.200 2.100 2.325 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLN HA 1 28 GLY H 4.670 . 4.670 4.208 3.922 4.568 . 0 0 "[ . 1 . 2]" 1
99 1 7 GLN HA 1 29 ILE HA 4.760 . 4.760 2.062 1.906 2.171 . 0 0 "[ . 1 . 2]" 1
100 1 7 GLN HA 1 29 ILE MD 3.510 . 3.510 2.664 2.389 2.819 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLN HA 1 29 ILE HG12 5.270 . 5.270 4.747 4.506 4.864 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLN HA 1 29 ILE QG 4.460 . 4.460 4.375 4.165 4.479 0.019 9 0 "[ . 1 . 2]" 1
103 1 7 GLN HA 1 29 ILE HG13 5.270 . 5.270 5.125 4.895 5.257 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLN HA 1 29 ILE MG 3.840 . 3.840 3.008 2.749 3.249 . 0 0 "[ . 1 . 2]" 1
105 1 7 GLN HA 1 30 CYS H 3.840 . 3.840 3.641 3.445 3.745 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLN QB 1 8 CYS H 3.620 . 3.620 3.145 2.654 3.614 . 0 0 "[ . 1 . 2]" 1
107 1 7 GLN QB 1 28 GLY H 4.680 . 4.680 3.947 3.423 4.388 . 0 0 "[ . 1 . 2]" 1
108 1 7 GLN HB2 1 8 CYS H 4.280 . 4.280 3.420 2.694 4.001 . 0 0 "[ . 1 . 2]" 1
109 1 7 GLN HB2 1 28 GLY H 5.500 . 5.500 4.267 3.511 5.227 . 0 0 "[ . 1 . 2]" 1
110 1 7 GLN HB3 1 8 CYS H 4.280 . 4.280 4.022 2.786 4.293 0.013 19 0 "[ . 1 . 2]" 1
111 1 7 GLN HB3 1 28 GLY H 5.500 . 5.500 5.176 3.473 5.523 0.023 16 0 "[ . 1 . 2]" 1
112 1 7 GLN QE 1 8 CYS H 5.340 . 5.340 4.760 4.408 5.355 0.015 15 0 "[ . 1 . 2]" 1
113 1 7 GLN HG2 1 28 GLY H 4.880 . 4.880 4.324 3.621 4.946 0.066 4 0 "[ . 1 . 2]" 1
114 1 7 GLN HG3 1 8 CYS H 4.450 . 4.450 3.555 2.571 4.489 0.039 2 0 "[ . 1 . 2]" 1
115 1 7 GLN HG3 1 28 GLY H 5.480 . 5.480 3.840 2.287 5.502 0.022 14 0 "[ . 1 . 2]" 1
116 1 8 CYS H 1 8 CYS HB3 3.740 . 3.740 3.389 3.289 3.488 . 0 0 "[ . 1 . 2]" 1
117 1 8 CYS H 1 9 ASP H 4.820 . 4.820 4.419 4.377 4.459 . 0 0 "[ . 1 . 2]" 1
118 1 8 CYS H 1 27 TYR HA 5.160 . 5.160 4.789 4.514 5.172 0.012 19 0 "[ . 1 . 2]" 1
119 1 8 CYS H 1 28 GLY H 3.360 . 3.360 2.765 2.525 3.113 . 0 0 "[ . 1 . 2]" 1
120 1 8 CYS H 1 29 ILE HA 3.520 . 3.520 3.048 2.806 3.214 . 0 0 "[ . 1 . 2]" 1
121 1 8 CYS H 1 29 ILE MD 4.490 . 4.490 3.835 3.515 4.039 . 0 0 "[ . 1 . 2]" 1
122 1 8 CYS H 1 29 ILE MG 4.720 . 4.720 4.609 4.396 4.724 0.004 10 0 "[ . 1 . 2]" 1
123 1 8 CYS H 1 30 CYS H 4.730 . 4.730 4.482 4.149 4.729 . 0 0 "[ . 1 . 2]" 1
124 1 8 CYS HA 1 9 ASP H 2.720 . 2.720 2.314 2.251 2.364 . 0 0 "[ . 1 . 2]" 1
125 1 8 CYS HA 1 13 ASN HD21 3.600 . 3.600 2.664 2.223 2.974 . 0 0 "[ . 1 . 2]" 1
126 1 8 CYS HA 1 13 ASN HD22 4.020 . 4.020 3.816 3.320 4.032 0.012 3 0 "[ . 1 . 2]" 1
127 1 8 CYS HA 1 14 PRO HA 5.500 . 5.500 4.918 4.587 5.106 . 0 0 "[ . 1 . 2]" 1
128 1 8 CYS HB2 1 9 ASP H 3.130 . 3.130 2.602 2.491 2.746 . 0 0 "[ . 1 . 2]" 1
129 1 8 CYS HB2 1 13 ASN HB3 5.500 . 5.500 5.116 4.690 5.505 0.005 20 0 "[ . 1 . 2]" 1
130 1 8 CYS HB2 1 14 PRO HA 3.970 . 3.970 3.007 2.712 3.344 . 0 0 "[ . 1 . 2]" 1
131 1 8 CYS HB2 1 21 CYS HB2 5.020 . 5.020 3.686 3.521 3.800 . 0 0 "[ . 1 . 2]" 1
132 1 8 CYS HB2 1 21 CYS HB3 5.500 . 5.500 4.757 4.654 4.840 . 0 0 "[ . 1 . 2]" 1
133 1 8 CYS HB3 1 9 ASP H 3.960 . 3.960 3.694 3.599 3.770 . 0 0 "[ . 1 . 2]" 1
134 1 9 ASP H 1 9 ASP HB2 3.920 . 3.920 2.889 2.646 3.692 . 0 0 "[ . 1 . 2]" 1
135 1 9 ASP H 1 9 ASP QB 3.280 . 3.280 2.650 2.479 3.151 . 0 0 "[ . 1 . 2]" 1
136 1 9 ASP H 1 9 ASP HB3 3.920 . 3.920 3.281 2.768 3.786 . 0 0 "[ . 1 . 2]" 1
137 1 9 ASP H 1 10 VAL H 4.570 . 4.570 4.478 4.441 4.497 . 0 0 "[ . 1 . 2]" 1
138 1 9 ASP H 1 10 VAL HA 5.100 . 5.100 4.943 4.901 4.982 . 0 0 "[ . 1 . 2]" 1
139 1 9 ASP H 1 10 VAL MG1 5.230 . 5.230 4.992 4.920 5.066 . 0 0 "[ . 1 . 2]" 1
140 1 9 ASP H 1 12 PHE H 5.500 . 5.500 5.313 5.092 5.483 . 0 0 "[ . 1 . 2]" 1
141 1 9 ASP H 1 13 ASN H 5.140 . 5.140 4.047 3.761 4.239 . 0 0 "[ . 1 . 2]" 1
142 1 9 ASP H 1 13 ASN HB2 4.900 . 4.900 4.540 4.267 4.853 . 0 0 "[ . 1 . 2]" 1
143 1 9 ASP H 1 13 ASN HB3 3.320 . 3.320 2.833 2.566 3.165 . 0 0 "[ . 1 . 2]" 1
144 1 9 ASP H 1 13 ASN HD21 4.380 . 4.380 2.756 2.501 3.018 . 0 0 "[ . 1 . 2]" 1
145 1 9 ASP H 1 13 ASN HD22 4.620 . 4.620 4.413 4.157 4.626 0.006 5 0 "[ . 1 . 2]" 1
146 1 9 ASP H 1 14 PRO HA 3.900 . 3.900 3.509 3.304 3.649 . 0 0 "[ . 1 . 2]" 1
147 1 9 ASP H 1 15 CYS H 5.500 . 5.500 5.421 5.302 5.504 0.004 17 0 "[ . 1 . 2]" 1
148 1 9 ASP HA 1 10 VAL H 2.670 . 2.670 2.271 2.216 2.325 . 0 0 "[ . 1 . 2]" 1
149 1 9 ASP HA 1 11 GLU H 4.450 . 4.450 3.943 3.811 4.042 . 0 0 "[ . 1 . 2]" 1
150 1 9 ASP HA 1 27 TYR HA 3.200 . 3.200 2.438 2.313 2.632 . 0 0 "[ . 1 . 2]" 1
151 1 9 ASP HA 1 27 TYR QD 3.930 . 3.930 3.434 3.122 3.746 . 0 0 "[ . 1 . 2]" 1
152 1 9 ASP HA 1 27 TYR QE 4.930 . 4.930 4.784 4.496 4.947 0.017 16 0 "[ . 1 . 2]" 1
153 1 9 ASP HA 1 28 GLY H 3.850 . 3.850 3.774 3.605 3.870 0.020 13 0 "[ . 1 . 2]" 1
154 1 9 ASP QB 1 10 VAL H 3.960 . 3.960 3.079 2.690 3.465 . 0 0 "[ . 1 . 2]" 1
155 1 9 ASP QB 1 11 GLU H 4.560 . 4.560 2.637 2.294 2.881 . 0 0 "[ . 1 . 2]" 1
156 1 9 ASP QB 1 12 PHE H 3.990 . 3.990 2.929 2.776 3.242 . 0 0 "[ . 1 . 2]" 1
157 1 9 ASP QB 1 12 PHE QB 5.180 . 5.180 4.412 4.134 4.908 . 0 0 "[ . 1 . 2]" 1
158 1 9 ASP QB 1 13 ASN H 3.380 . 3.380 2.433 2.173 3.443 0.063 10 0 "[ . 1 . 2]" 1
159 1 9 ASP QB 1 13 ASN HB2 5.340 . 5.340 3.592 3.180 5.051 . 0 0 "[ . 1 . 2]" 1
160 1 9 ASP QB 1 13 ASN HB3 3.960 . 3.960 2.541 2.225 3.928 . 0 0 "[ . 1 . 2]" 1
161 1 9 ASP QB 1 27 TYR QD 3.380 . 3.380 2.871 2.351 3.407 0.027 4 0 "[ . 1 . 2]" 1
162 1 9 ASP QB 1 27 TYR QE 3.660 . 3.660 3.044 2.377 3.682 0.022 11 0 "[ . 1 . 2]" 1
163 1 9 ASP QB 1 28 GLY H 5.340 . 5.340 5.113 4.752 5.399 0.059 16 0 "[ . 1 . 2]" 1
164 1 9 ASP HB2 1 10 VAL H 4.580 . 4.580 3.824 2.914 4.170 . 0 0 "[ . 1 . 2]" 1
165 1 9 ASP HB2 1 11 GLU H 5.190 . 5.190 3.515 2.307 4.355 . 0 0 "[ . 1 . 2]" 1
166 1 9 ASP HB3 1 10 VAL H 4.580 . 4.580 3.350 2.775 3.759 . 0 0 "[ . 1 . 2]" 1
167 1 9 ASP HB3 1 11 GLU H 5.190 . 5.190 2.985 2.625 4.026 . 0 0 "[ . 1 . 2]" 1
168 1 10 VAL H 1 10 VAL MG2 2.720 . 2.720 1.970 1.926 2.005 . 0 0 "[ . 1 . 2]" 1
169 1 10 VAL H 1 11 GLU H 3.170 . 3.170 2.664 2.485 2.843 . 0 0 "[ . 1 . 2]" 1
170 1 10 VAL H 1 11 GLU QG 3.500 . 3.500 3.487 3.368 3.516 0.016 10 0 "[ . 1 . 2]" 1
171 1 10 VAL H 1 12 PHE H 4.870 . 4.870 4.791 4.679 4.894 0.024 6 0 "[ . 1 . 2]" 1
172 1 10 VAL H 1 26 PRO HA 4.930 . 4.930 4.655 4.404 4.941 0.011 4 0 "[ . 1 . 2]" 1
173 1 10 VAL H 1 27 TYR HA 3.900 . 3.900 3.749 3.570 3.902 0.002 9 0 "[ . 1 . 2]" 1
174 1 10 VAL HA 1 10 VAL HB 2.640 . 2.640 2.528 2.501 2.548 . 0 0 "[ . 1 . 2]" 1
175 1 10 VAL HA 1 10 VAL MG1 2.660 . 2.660 2.277 2.261 2.295 . 0 0 "[ . 1 . 2]" 1
176 1 10 VAL HA 1 11 GLU H 3.530 . 3.530 3.058 2.969 3.129 . 0 0 "[ . 1 . 2]" 1
177 1 10 VAL HA 1 11 GLU HA 5.320 . 5.320 4.536 4.471 4.623 . 0 0 "[ . 1 . 2]" 1
178 1 10 VAL HA 1 12 PHE H 4.910 . 4.910 4.842 4.665 4.910 0.000 12 0 "[ . 1 . 2]" 1
179 1 10 VAL HA 1 14 PRO HA 3.820 . 3.820 3.600 3.559 3.639 . 0 0 "[ . 1 . 2]" 1
180 1 10 VAL HA 1 15 CYS H 5.500 . 5.500 5.528 5.514 5.542 0.042 3 0 "[ . 1 . 2]" 1
181 1 10 VAL HB 1 11 GLU H 4.530 . 4.530 4.416 4.368 4.448 . 0 0 "[ . 1 . 2]" 1
182 1 10 VAL MG1 1 24 GLY H 5.070 . 5.070 5.038 4.987 5.084 0.014 5 0 "[ . 1 . 2]" 1
183 1 10 VAL MG1 1 24 GLY HA3 5.500 . 5.500 2.735 2.672 2.824 . 0 0 "[ . 1 . 2]" 1
184 1 10 VAL MG1 1 25 ASP H 5.150 . 5.150 5.166 5.154 5.179 0.029 10 0 "[ . 1 . 2]" 1
185 1 10 VAL MG2 1 11 GLU H 3.840 . 3.840 3.558 3.432 3.702 . 0 0 "[ . 1 . 2]" 1
186 1 10 VAL MG2 1 11 GLU HA 4.490 . 4.490 4.047 3.825 4.230 . 0 0 "[ . 1 . 2]" 1
187 1 10 VAL MG2 1 11 GLU QB 4.520 . 4.520 4.357 4.294 4.425 . 0 0 "[ . 1 . 2]" 1
188 1 10 VAL MG2 1 25 ASP H 5.450 . 5.450 4.587 4.415 4.715 . 0 0 "[ . 1 . 2]" 1
189 1 10 VAL MG2 1 26 PRO HA 3.440 . 3.440 3.155 2.737 3.294 . 0 0 "[ . 1 . 2]" 1
190 1 11 GLU H 1 11 GLU QB 3.110 . 3.110 2.493 2.403 2.585 . 0 0 "[ . 1 . 2]" 1
191 1 11 GLU H 1 11 GLU HG2 3.980 . 3.980 3.713 2.791 4.002 0.022 11 0 "[ . 1 . 2]" 1
192 1 11 GLU H 1 11 GLU QG 3.390 . 3.390 2.890 2.681 3.009 . 0 0 "[ . 1 . 2]" 1
193 1 11 GLU H 1 11 GLU HG3 3.980 . 3.980 3.223 2.738 4.002 0.022 4 0 "[ . 1 . 2]" 1
194 1 11 GLU H 1 12 PHE H 3.020 . 3.020 2.299 2.193 2.419 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLU H 1 12 PHE HA 5.200 . 5.200 4.733 4.615 4.871 . 0 0 "[ . 1 . 2]" 1
196 1 11 GLU H 1 12 PHE QB 5.100 . 5.100 4.639 4.547 4.814 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLU H 1 13 ASN H 4.020 . 4.020 3.087 2.918 3.390 . 0 0 "[ . 1 . 2]" 1
198 1 11 GLU QB 1 12 PHE H 3.590 . 3.590 2.403 2.363 2.434 . 0 0 "[ . 1 . 2]" 1
199 1 11 GLU QB 1 12 PHE QB 5.340 . 5.340 3.227 3.178 3.905 . 0 0 "[ . 1 . 2]" 1
200 1 11 GLU QB 1 13 ASN H 4.880 . 4.880 3.882 3.762 3.962 . 0 0 "[ . 1 . 2]" 1
201 1 11 GLU QG 1 12 PHE H 4.800 . 4.800 4.090 4.058 4.121 . 0 0 "[ . 1 . 2]" 1
202 1 11 GLU QG 1 13 ASN H 5.340 . 5.340 5.353 5.330 5.371 0.031 1 0 "[ . 1 . 2]" 1
203 1 12 PHE H 1 12 PHE HB2 3.850 . 3.850 3.021 2.895 3.068 . 0 0 "[ . 1 . 2]" 1
204 1 12 PHE H 1 12 PHE QB 3.230 . 3.230 2.696 2.667 2.819 . 0 0 "[ . 1 . 2]" 1
205 1 12 PHE H 1 12 PHE HB3 3.850 . 3.850 3.055 2.976 3.879 0.029 1 0 "[ . 1 . 2]" 1
206 1 12 PHE H 1 13 ASN H 2.720 . 2.720 1.772 1.722 1.808 . 0 0 "[ . 1 . 2]" 1
207 1 12 PHE H 1 13 ASN HA 4.590 . 4.590 4.541 4.504 4.570 . 0 0 "[ . 1 . 2]" 1
208 1 12 PHE H 1 14 PRO QD 4.190 . 4.190 3.946 3.785 4.103 . 0 0 "[ . 1 . 2]" 1
209 1 12 PHE HA 1 12 PHE QD 3.350 . 3.350 2.921 2.808 2.949 . 0 0 "[ . 1 . 2]" 1
210 1 12 PHE HA 1 14 PRO QD 4.950 . 4.950 3.308 3.180 3.487 . 0 0 "[ . 1 . 2]" 1
211 1 12 PHE QB 1 13 ASN H 3.790 . 3.790 3.183 2.888 3.321 . 0 0 "[ . 1 . 2]" 1
212 1 12 PHE HB2 1 13 ASN H 4.450 . 4.450 4.045 2.954 4.205 . 0 0 "[ . 1 . 2]" 1
213 1 12 PHE HB3 1 13 ASN H 4.450 . 4.450 3.375 3.145 4.083 . 0 0 "[ . 1 . 2]" 1
214 1 12 PHE QD 1 13 ASN H 5.100 . 5.100 4.480 3.881 4.599 . 0 0 "[ . 1 . 2]" 1
215 1 12 PHE QD 1 13 ASN HB2 4.680 . 4.680 3.995 3.889 4.745 0.065 1 0 "[ . 1 . 2]" 1
216 1 12 PHE QD 1 13 ASN HB3 5.500 . 5.500 5.493 5.380 5.526 0.026 1 0 "[ . 1 . 2]" 1
217 1 13 ASN H 1 13 ASN HB2 3.830 . 3.830 2.949 2.746 3.014 . 0 0 "[ . 1 . 2]" 1
218 1 13 ASN H 1 13 ASN HB3 3.760 . 3.760 2.829 2.732 2.919 . 0 0 "[ . 1 . 2]" 1
219 1 13 ASN H 1 13 ASN HD21 5.500 . 5.500 4.726 4.627 4.800 . 0 0 "[ . 1 . 2]" 1
220 1 13 ASN H 1 14 PRO HA 4.890 . 4.890 4.639 4.533 4.790 . 0 0 "[ . 1 . 2]" 1
221 1 13 ASN H 1 14 PRO HD2 4.230 . 4.230 4.263 4.235 4.292 0.062 4 0 "[ . 1 . 2]" 1
222 1 13 ASN H 1 14 PRO QD 3.620 . 3.620 3.014 2.747 3.263 . 0 0 "[ . 1 . 2]" 1
223 1 13 ASN H 1 14 PRO HD3 4.230 . 4.230 3.093 2.781 3.389 . 0 0 "[ . 1 . 2]" 1
224 1 13 ASN H 1 14 PRO QG 5.350 . 5.350 4.600 3.953 5.164 . 0 0 "[ . 1 . 2]" 1
225 1 13 ASN HA 1 13 ASN HD21 4.520 . 4.520 3.924 3.820 4.021 . 0 0 "[ . 1 . 2]" 1
226 1 13 ASN HA 1 13 ASN HD22 4.810 . 4.810 4.330 4.249 4.423 . 0 0 "[ . 1 . 2]" 1
227 1 13 ASN HB2 1 13 ASN HD22 3.910 . 3.910 3.994 3.978 4.007 0.097 7 0 "[ . 1 . 2]" 1
228 1 13 ASN HB2 1 14 PRO QD 4.720 . 4.720 4.364 4.345 4.398 . 0 0 "[ . 1 . 2]" 1
229 1 13 ASN HB3 1 13 ASN HD22 3.630 . 3.630 3.443 3.432 3.454 . 0 0 "[ . 1 . 2]" 1
230 1 13 ASN HB3 1 27 TYR QD 5.500 . 5.500 5.121 4.562 5.509 0.009 16 0 "[ . 1 . 2]" 1
231 1 14 PRO HA 1 15 CYS H 2.660 . 2.660 2.573 2.521 2.641 . 0 0 "[ . 1 . 2]" 1
232 1 14 PRO HA 1 15 CYS HB2 4.820 . 4.820 4.487 4.412 4.577 . 0 0 "[ . 1 . 2]" 1
233 1 14 PRO QB 1 15 CYS H 3.130 . 3.130 2.380 2.210 2.540 . 0 0 "[ . 1 . 2]" 1
234 1 14 PRO QB 1 15 CYS HA 5.340 . 5.340 4.388 4.339 4.426 . 0 0 "[ . 1 . 2]" 1
235 1 14 PRO HB2 1 15 CYS H 3.720 . 3.720 2.527 2.241 2.833 . 0 0 "[ . 1 . 2]" 1
236 1 14 PRO HB3 1 15 CYS H 3.720 . 3.720 3.138 2.773 3.432 . 0 0 "[ . 1 . 2]" 1
237 1 15 CYS H 1 15 CYS HB2 3.010 . 3.010 2.309 2.172 2.404 . 0 0 "[ . 1 . 2]" 1
238 1 15 CYS H 1 15 CYS HB3 3.520 . 3.520 3.035 2.801 3.489 . 0 0 "[ . 1 . 2]" 1
239 1 15 CYS H 1 16 CYS H 4.660 . 4.660 4.488 4.469 4.508 . 0 0 "[ . 1 . 2]" 1
240 1 15 CYS H 1 21 CYS H 5.500 . 5.500 5.488 5.393 5.520 0.020 16 0 "[ . 1 . 2]" 1
241 1 15 CYS H 1 21 CYS HB2 4.670 . 4.670 3.854 3.720 4.110 . 0 0 "[ . 1 . 2]" 1
242 1 15 CYS HA 1 16 CYS H 2.470 . 2.470 2.143 2.126 2.156 . 0 0 "[ . 1 . 2]" 1
243 1 15 CYS HA 1 16 CYS HA 5.450 . 5.450 4.398 4.388 4.416 . 0 0 "[ . 1 . 2]" 1
244 1 15 CYS HA 1 16 CYS HB2 4.840 . 4.840 4.218 4.192 4.237 . 0 0 "[ . 1 . 2]" 1
245 1 15 CYS HA 1 16 CYS HB3 5.500 . 5.500 5.380 5.359 5.407 . 0 0 "[ . 1 . 2]" 1
246 1 15 CYS HA 1 17 PRO HG2 4.890 . 4.890 4.855 4.771 4.908 0.018 3 0 "[ . 1 . 2]" 1
247 1 15 CYS HB2 1 16 CYS H 5.050 . 5.050 4.501 4.477 4.514 . 0 0 "[ . 1 . 2]" 1
248 1 15 CYS HB2 1 19 LEU H 5.340 . 5.340 4.590 4.249 4.727 . 0 0 "[ . 1 . 2]" 1
249 1 15 CYS HB2 1 19 LEU HB3 5.020 . 5.020 4.800 4.671 5.033 0.013 16 0 "[ . 1 . 2]" 1
250 1 15 CYS HB2 1 20 THR HA 4.450 . 4.450 4.466 4.324 4.520 0.070 4 0 "[ . 1 . 2]" 1
251 1 15 CYS HB2 1 21 CYS H 4.760 . 4.760 4.646 4.562 4.716 . 0 0 "[ . 1 . 2]" 1
252 1 15 CYS HB3 1 19 LEU HB3 5.080 . 5.080 4.418 4.295 4.625 . 0 0 "[ . 1 . 2]" 1
253 1 15 CYS HB3 1 19 LEU HG 5.500 . 5.500 5.496 5.299 5.536 0.036 1 0 "[ . 1 . 2]" 1
254 1 15 CYS HB3 1 20 THR HA 5.190 . 5.190 4.798 4.594 5.219 0.029 16 0 "[ . 1 . 2]" 1
255 1 15 CYS HB3 1 30 CYS HB3 5.500 . 5.500 4.876 4.640 5.157 . 0 0 "[ . 1 . 2]" 1
256 1 16 CYS H 1 16 CYS HB2 2.990 . 2.990 2.114 2.106 2.122 . 0 0 "[ . 1 . 2]" 1
257 1 16 CYS H 1 16 CYS HB3 3.380 . 3.380 3.296 3.283 3.329 . 0 0 "[ . 1 . 2]" 1
258 1 16 CYS H 1 17 PRO QD 4.440 . 4.440 2.276 2.240 2.328 . 0 0 "[ . 1 . 2]" 1
259 1 16 CYS HB2 1 17 PRO QD 4.060 . 4.060 2.639 2.586 2.665 . 0 0 "[ . 1 . 2]" 1
260 1 16 CYS HB3 1 17 PRO QD 3.990 . 3.990 2.310 2.287 2.345 . 0 0 "[ . 1 . 2]" 1
261 1 16 CYS HB3 1 17 PRO HG2 5.480 . 5.480 5.026 4.988 5.078 . 0 0 "[ . 1 . 2]" 1
262 1 17 PRO HA 1 18 PRO HB3 5.050 . 5.050 5.034 5.015 5.049 . 0 0 "[ . 1 . 2]" 1
263 1 17 PRO HB2 1 19 LEU H 4.520 . 4.520 3.528 3.345 3.917 . 0 0 "[ . 1 . 2]" 1
264 1 17 PRO HB3 1 19 LEU H 5.500 . 5.500 4.976 4.810 5.319 . 0 0 "[ . 1 . 2]" 1
265 1 18 PRO QD 1 19 LEU H 4.610 . 4.610 3.982 3.872 4.201 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU H 1 19 LEU HB2 3.010 . 3.010 2.458 2.373 2.590 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU H 1 19 LEU HB3 3.750 . 3.750 3.663 3.607 3.744 . 0 0 "[ . 1 . 2]" 1
268 1 19 LEU H 1 19 LEU MD1 4.320 . 4.320 3.780 3.635 4.043 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU H 1 19 LEU HG 3.600 . 3.600 3.153 3.105 3.232 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU HA 1 19 LEU MD1 4.450 . 4.450 3.876 3.853 3.891 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU HA 1 19 LEU HG 3.800 . 3.800 2.768 2.634 3.000 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU HA 1 20 THR H 2.830 . 2.830 2.464 2.397 2.516 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU HA 1 20 THR MG 5.500 . 5.500 5.449 5.439 5.466 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU HA 1 31 TYR H 5.500 . 5.500 5.432 5.232 5.512 0.012 9 0 "[ . 1 . 2]" 1
275 1 19 LEU HB2 1 20 THR H 3.910 . 3.910 3.596 3.522 3.681 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU HB3 1 20 THR H 3.220 . 3.220 2.261 2.178 2.359 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU HB3 1 20 THR HA 5.270 . 5.270 4.521 4.489 4.544 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU HB3 1 30 CYS HB3 5.500 . 5.500 3.137 2.708 3.914 . 0 0 "[ . 1 . 2]" 1
279 1 19 LEU HB3 1 31 TYR H 3.830 . 3.830 3.561 3.347 3.645 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU HG 1 20 THR H 4.860 . 4.860 4.554 4.428 4.726 . 0 0 "[ . 1 . 2]" 1
281 1 20 THR H 1 20 THR HB 3.360 . 3.360 2.564 2.492 2.612 . 0 0 "[ . 1 . 2]" 1
282 1 20 THR H 1 20 THR MG 3.950 . 3.950 3.838 3.811 3.852 . 0 0 "[ . 1 . 2]" 1
283 1 20 THR H 1 21 CYS H 4.880 . 4.880 4.532 4.524 4.538 . 0 0 "[ . 1 . 2]" 1
284 1 20 THR H 1 22 ILE MD 4.540 . 4.540 4.258 4.171 4.336 . 0 0 "[ . 1 . 2]" 1
285 1 20 THR H 1 22 ILE HG13 5.280 . 5.280 4.926 4.857 5.019 . 0 0 "[ . 1 . 2]" 1
286 1 20 THR H 1 30 CYS HA 4.440 . 4.440 4.222 4.039 4.353 . 0 0 "[ . 1 . 2]" 1
287 1 20 THR H 1 31 TYR H 3.260 . 3.260 3.286 3.268 3.300 0.040 9 0 "[ . 1 . 2]" 1
288 1 20 THR H 1 31 TYR HB2 4.910 . 4.910 4.890 4.779 4.926 0.016 17 0 "[ . 1 . 2]" 1
289 1 20 THR H 1 33 ILE H 4.870 . 4.870 4.342 4.261 4.394 . 0 0 "[ . 1 . 2]" 1
290 1 20 THR HA 1 20 THR MG 3.300 . 3.300 2.406 2.378 2.463 . 0 0 "[ . 1 . 2]" 1
291 1 20 THR HA 1 21 CYS H 2.540 . 2.540 2.279 2.258 2.297 . 0 0 "[ . 1 . 2]" 1
292 1 20 THR HA 1 21 CYS HB2 4.490 . 4.490 4.199 4.157 4.279 . 0 0 "[ . 1 . 2]" 1
293 1 20 THR HA 1 21 CYS HB3 5.420 . 5.420 4.988 4.914 5.037 . 0 0 "[ . 1 . 2]" 1
294 1 20 THR HA 1 31 TYR H 5.020 . 5.020 4.725 4.696 4.770 . 0 0 "[ . 1 . 2]" 1
295 1 20 THR HB 1 21 CYS H 4.210 . 4.210 3.803 3.721 3.921 . 0 0 "[ . 1 . 2]" 1
296 1 20 THR HB 1 22 ILE MD 3.960 . 3.960 2.450 2.333 2.622 . 0 0 "[ . 1 . 2]" 1
297 1 20 THR HB 1 22 ILE HG13 4.670 . 4.670 3.028 2.924 3.231 . 0 0 "[ . 1 . 2]" 1
298 1 20 THR HB 1 31 TYR H 4.660 . 4.660 3.569 3.455 3.814 . 0 0 "[ . 1 . 2]" 1
299 1 20 THR HB 1 31 TYR HB2 5.110 . 5.110 4.010 3.908 4.207 . 0 0 "[ . 1 . 2]" 1
300 1 20 THR HB 1 33 ILE H 5.180 . 5.180 3.559 3.453 3.693 . 0 0 "[ . 1 . 2]" 1
301 1 20 THR HB 1 33 ILE QG 4.790 . 4.790 3.351 2.940 3.510 . 0 0 "[ . 1 . 2]" 1
302 1 20 THR MG 1 21 CYS H 3.310 . 3.310 2.208 2.129 2.290 . 0 0 "[ . 1 . 2]" 1
303 1 20 THR MG 1 21 CYS HB2 5.500 . 5.500 4.336 4.276 4.440 . 0 0 "[ . 1 . 2]" 1
304 1 20 THR MG 1 22 ILE H 5.000 . 5.000 3.922 3.835 3.971 . 0 0 "[ . 1 . 2]" 1
305 1 20 THR MG 1 31 TYR H 4.650 . 4.650 4.283 4.230 4.345 . 0 0 "[ . 1 . 2]" 1
306 1 20 THR MG 1 31 TYR HB3 5.500 . 5.500 5.531 5.519 5.545 0.045 10 0 "[ . 1 . 2]" 1
307 1 20 THR MG 1 31 TYR QD 5.500 . 5.500 5.573 5.559 5.586 0.086 18 0 "[ . 1 . 2]" 1
308 1 20 THR MG 1 32 ILE HA 4.990 . 4.990 4.801 4.739 4.970 . 0 0 "[ . 1 . 2]" 1
309 1 20 THR MG 1 33 ILE H 4.770 . 4.770 4.182 4.128 4.398 . 0 0 "[ . 1 . 2]" 1
310 1 20 THR MG 1 33 ILE HA 4.720 . 4.720 4.745 4.741 4.750 0.030 3 0 "[ . 1 . 2]" 1
311 1 21 CYS H 1 21 CYS HB2 2.980 . 2.980 2.568 2.469 2.630 . 0 0 "[ . 1 . 2]" 1
312 1 21 CYS H 1 21 CYS HB3 3.180 . 3.180 2.812 2.734 2.865 . 0 0 "[ . 1 . 2]" 1
313 1 21 CYS H 1 22 ILE H 4.610 . 4.610 4.174 4.095 4.269 . 0 0 "[ . 1 . 2]" 1
314 1 21 CYS H 1 30 CYS HA 5.340 . 5.340 4.771 4.692 4.866 . 0 0 "[ . 1 . 2]" 1
315 1 21 CYS HA 1 22 ILE H 2.660 . 2.660 2.163 2.153 2.173 . 0 0 "[ . 1 . 2]" 1
316 1 21 CYS HA 1 29 ILE H 4.270 . 4.270 4.045 3.311 4.279 0.009 8 0 "[ . 1 . 2]" 1
317 1 21 CYS HA 1 30 CYS HA 3.570 . 3.570 2.751 2.641 3.011 . 0 0 "[ . 1 . 2]" 1
318 1 21 CYS HA 1 31 TYR H 3.940 . 3.940 3.433 3.388 3.515 . 0 0 "[ . 1 . 2]" 1
319 1 21 CYS HB2 1 22 ILE H 4.720 . 4.720 4.582 4.558 4.603 . 0 0 "[ . 1 . 2]" 1
320 1 21 CYS HB3 1 22 ILE H 4.750 . 4.750 4.261 4.205 4.304 . 0 0 "[ . 1 . 2]" 1
321 1 21 CYS HB3 1 24 GLY HA2 5.500 . 5.500 4.008 3.692 4.306 . 0 0 "[ . 1 . 2]" 1
322 1 21 CYS HB3 1 24 GLY HA3 5.500 . 5.500 3.108 2.934 3.289 . 0 0 "[ . 1 . 2]" 1
323 1 22 ILE H 1 22 ILE HB 3.050 . 3.050 2.920 2.859 2.957 . 0 0 "[ . 1 . 2]" 1
324 1 22 ILE H 1 22 ILE MD 4.270 . 4.270 3.741 3.674 3.779 . 0 0 "[ . 1 . 2]" 1
325 1 22 ILE H 1 22 ILE HG12 4.030 . 4.030 3.885 3.821 3.955 . 0 0 "[ . 1 . 2]" 1
326 1 22 ILE H 1 22 ILE HG13 3.620 . 3.620 2.488 2.420 2.563 . 0 0 "[ . 1 . 2]" 1
327 1 22 ILE H 1 22 ILE MG 4.040 . 4.040 3.963 3.948 3.973 . 0 0 "[ . 1 . 2]" 1
328 1 22 ILE H 1 23 PRO HA 5.500 . 5.500 4.952 4.934 4.984 . 0 0 "[ . 1 . 2]" 1
329 1 22 ILE H 1 23 PRO QD 5.170 . 5.170 4.703 4.679 4.729 . 0 0 "[ . 1 . 2]" 1
330 1 22 ILE H 1 24 GLY H 4.990 . 4.990 5.010 4.990 5.019 0.029 17 0 "[ . 1 . 2]" 1
331 1 22 ILE H 1 28 GLY HA2 5.500 . 5.500 5.197 4.605 5.385 . 0 0 "[ . 1 . 2]" 1
332 1 22 ILE H 1 28 GLY HA3 4.030 . 4.030 3.921 3.607 4.035 0.005 5 0 "[ . 1 . 2]" 1
333 1 22 ILE H 1 29 ILE H 3.200 . 3.200 2.865 2.192 3.151 . 0 0 "[ . 1 . 2]" 1
334 1 22 ILE H 1 29 ILE MG 5.210 . 5.210 5.037 4.724 5.181 . 0 0 "[ . 1 . 2]" 1
335 1 22 ILE H 1 30 CYS H 5.230 . 5.230 4.860 4.831 4.893 . 0 0 "[ . 1 . 2]" 1
336 1 22 ILE H 1 30 CYS HA 4.140 . 4.140 3.637 3.508 3.988 . 0 0 "[ . 1 . 2]" 1
337 1 22 ILE H 1 31 TYR H 4.850 . 4.850 3.310 3.233 3.440 . 0 0 "[ . 1 . 2]" 1
338 1 22 ILE H 1 31 TYR HB2 5.150 . 5.150 3.736 3.621 3.794 . 0 0 "[ . 1 . 2]" 1
339 1 22 ILE H 1 31 TYR QD 3.920 . 3.920 3.458 3.352 3.532 . 0 0 "[ . 1 . 2]" 1
340 1 22 ILE H 1 31 TYR QE 5.500 . 5.500 5.137 5.077 5.180 . 0 0 "[ . 1 . 2]" 1
341 1 22 ILE HA 1 22 ILE MD 4.190 . 4.190 4.039 4.014 4.054 . 0 0 "[ . 1 . 2]" 1
342 1 22 ILE HA 1 22 ILE HG12 4.080 . 4.080 2.965 2.907 2.995 . 0 0 "[ . 1 . 2]" 1
343 1 22 ILE HA 1 22 ILE MG 3.680 . 3.680 2.259 2.228 2.296 . 0 0 "[ . 1 . 2]" 1
344 1 22 ILE HA 1 23 PRO HA 3.320 . 3.320 2.277 2.258 2.317 . 0 0 "[ . 1 . 2]" 1
345 1 22 ILE HA 1 23 PRO HB3 5.180 . 5.180 4.445 4.432 4.473 . 0 0 "[ . 1 . 2]" 1
346 1 22 ILE HA 1 24 GLY H 3.820 . 3.820 3.739 3.682 3.778 . 0 0 "[ . 1 . 2]" 1
347 1 22 ILE HA 1 29 ILE H 4.920 . 4.920 4.200 3.851 4.365 . 0 0 "[ . 1 . 2]" 1
348 1 22 ILE HB 1 28 GLY HA3 5.500 . 5.500 5.533 5.510 5.556 0.056 20 0 "[ . 1 . 2]" 1
349 1 22 ILE HB 1 31 TYR H 4.520 . 4.520 4.548 4.540 4.559 0.039 14 0 "[ . 1 . 2]" 1
350 1 22 ILE HB 1 31 TYR QD 3.130 . 3.130 2.279 2.257 2.305 . 0 0 "[ . 1 . 2]" 1
351 1 22 ILE HB 1 31 TYR QE 4.180 . 4.180 4.181 4.164 4.187 0.007 16 0 "[ . 1 . 2]" 1
352 1 22 ILE MD 1 23 PRO HA 5.050 . 5.050 5.064 5.052 5.069 0.019 10 0 "[ . 1 . 2]" 1
353 1 22 ILE MD 1 31 TYR H 3.980 . 3.980 3.423 3.406 3.446 . 0 0 "[ . 1 . 2]" 1
354 1 22 ILE MD 1 31 TYR HA 4.670 . 4.670 4.215 4.192 4.230 . 0 0 "[ . 1 . 2]" 1
355 1 22 ILE MD 1 31 TYR HB2 4.050 . 4.050 2.035 2.020 2.046 . 0 0 "[ . 1 . 2]" 1
356 1 22 ILE MD 1 31 TYR HB3 5.110 . 5.110 2.656 2.606 2.675 . 0 0 "[ . 1 . 2]" 1
357 1 22 ILE MD 1 31 TYR QD 3.490 . 3.490 3.020 2.957 3.079 . 0 0 "[ . 1 . 2]" 1
358 1 22 ILE MD 1 32 ILE H 3.880 . 3.880 3.900 3.895 3.912 0.032 13 0 "[ . 1 . 2]" 1
359 1 22 ILE MD 1 32 ILE HA 4.360 . 4.360 4.062 4.021 4.127 . 0 0 "[ . 1 . 2]" 1
360 1 22 ILE MD 1 32 ILE QG 5.340 . 5.340 5.374 5.354 5.387 0.047 4 0 "[ . 1 . 2]" 1
361 1 22 ILE HG12 1 22 ILE MG 3.300 . 3.300 2.275 2.259 2.287 . 0 0 "[ . 1 . 2]" 1
362 1 22 ILE HG12 1 23 PRO HA 4.830 . 4.830 4.433 4.345 4.481 . 0 0 "[ . 1 . 2]" 1
363 1 22 ILE HG12 1 31 TYR H 5.340 . 5.340 5.206 5.126 5.344 0.004 18 0 "[ . 1 . 2]" 1
364 1 22 ILE HG12 1 31 TYR HB3 5.500 . 5.500 5.512 5.472 5.526 0.026 13 0 "[ . 1 . 2]" 1
365 1 22 ILE HG12 1 31 TYR QD 5.360 . 5.360 4.935 4.908 4.962 . 0 0 "[ . 1 . 2]" 1
366 1 22 ILE HG13 1 23 PRO HA 5.250 . 5.250 5.071 5.023 5.103 . 0 0 "[ . 1 . 2]" 1
367 1 22 ILE HG13 1 31 TYR H 4.610 . 4.610 3.512 3.426 3.664 . 0 0 "[ . 1 . 2]" 1
368 1 22 ILE HG13 1 31 TYR HB3 5.500 . 5.500 4.632 4.601 4.684 . 0 0 "[ . 1 . 2]" 1
369 1 22 ILE HG13 1 31 TYR QD 4.090 . 4.090 3.960 3.924 4.032 . 0 0 "[ . 1 . 2]" 1
370 1 22 ILE MG 1 23 PRO HA 3.080 . 3.080 2.106 2.069 2.152 . 0 0 "[ . 1 . 2]" 1
371 1 22 ILE MG 1 23 PRO QD 3.950 . 3.950 3.404 3.336 3.451 . 0 0 "[ . 1 . 2]" 1
372 1 22 ILE MG 1 31 TYR HB3 5.500 . 5.500 5.091 5.014 5.152 . 0 0 "[ . 1 . 2]" 1
373 1 22 ILE MG 1 31 TYR QD 3.920 . 3.920 3.812 3.773 3.830 . 0 0 "[ . 1 . 2]" 1
374 1 23 PRO HB2 1 24 GLY H 4.000 . 4.000 2.946 2.919 2.973 . 0 0 "[ . 1 . 2]" 1
375 1 23 PRO HB2 1 25 ASP H 4.010 . 4.010 2.917 2.721 3.062 . 0 0 "[ . 1 . 2]" 1
376 1 23 PRO QD 1 24 GLY H 3.600 . 3.600 2.921 2.890 2.983 . 0 0 "[ . 1 . 2]" 1
377 1 23 PRO QD 1 29 ILE QG 4.760 . 4.760 2.893 2.758 3.033 . 0 0 "[ . 1 . 2]" 1
378 1 23 PRO HG2 1 24 GLY H 3.410 . 3.410 2.112 2.092 2.141 . 0 0 "[ . 1 . 2]" 1
379 1 23 PRO HG2 1 25 ASP H 3.740 . 3.740 2.942 2.855 3.053 . 0 0 "[ . 1 . 2]" 1
380 1 23 PRO HG2 1 28 GLY HA3 5.500 . 5.500 3.471 3.303 4.014 . 0 0 "[ . 1 . 2]" 1
381 1 23 PRO HG3 1 24 GLY H 4.220 . 4.220 3.736 3.719 3.758 . 0 0 "[ . 1 . 2]" 1
382 1 23 PRO HG3 1 25 ASP H 4.850 . 4.850 4.411 4.341 4.514 . 0 0 "[ . 1 . 2]" 1
383 1 23 PRO HG3 1 28 GLY HA3 5.500 . 5.500 4.896 4.709 5.478 . 0 0 "[ . 1 . 2]" 1
384 1 24 GLY H 1 24 GLY HA2 2.680 . 2.680 2.323 2.312 2.332 . 0 0 "[ . 1 . 2]" 1
385 1 24 GLY H 1 25 ASP H 3.020 . 3.020 2.461 2.395 2.550 . 0 0 "[ . 1 . 2]" 1
386 1 24 GLY H 1 27 TYR H 5.330 . 5.330 4.814 4.663 4.908 . 0 0 "[ . 1 . 2]" 1
387 1 24 GLY H 1 28 GLY H 4.500 . 4.500 4.038 3.913 4.119 . 0 0 "[ . 1 . 2]" 1
388 1 24 GLY H 1 28 GLY HA2 4.060 . 4.060 2.782 2.362 2.990 . 0 0 "[ . 1 . 2]" 1
389 1 24 GLY H 1 28 GLY HA3 3.250 . 3.250 2.110 1.966 2.363 . 0 0 "[ . 1 . 2]" 1
390 1 24 GLY H 1 29 ILE H 4.310 . 4.310 4.000 3.896 4.067 . 0 0 "[ . 1 . 2]" 1
391 1 24 GLY HA2 1 25 ASP H 3.440 . 3.440 2.871 2.805 2.927 . 0 0 "[ . 1 . 2]" 1
392 1 24 GLY HA2 1 28 GLY H 4.080 . 4.080 3.414 3.265 3.527 . 0 0 "[ . 1 . 2]" 1
393 1 24 GLY HA2 1 28 GLY HA3 5.500 . 5.500 2.835 2.523 2.995 . 0 0 "[ . 1 . 2]" 1
394 1 25 ASP H 1 25 ASP HB2 4.030 . 4.030 2.890 2.711 3.888 . 0 0 "[ . 1 . 2]" 1
395 1 25 ASP H 1 25 ASP QB 3.470 . 3.470 2.732 2.657 3.256 . 0 0 "[ . 1 . 2]" 1
396 1 25 ASP H 1 25 ASP HB3 4.030 . 4.030 3.621 3.016 3.864 . 0 0 "[ . 1 . 2]" 1
397 1 25 ASP H 1 26 PRO HA 4.320 . 4.320 4.024 3.801 4.101 . 0 0 "[ . 1 . 2]" 1
398 1 25 ASP H 1 26 PRO QB 5.360 . 5.360 5.189 5.118 5.250 . 0 0 "[ . 1 . 2]" 1
399 1 25 ASP H 1 27 TYR H 3.810 . 3.810 3.494 3.180 3.563 . 0 0 "[ . 1 . 2]" 1
400 1 25 ASP H 1 27 TYR HA 5.360 . 5.360 4.461 4.381 4.573 . 0 0 "[ . 1 . 2]" 1
401 1 25 ASP H 1 28 GLY H 5.160 . 5.160 5.182 5.173 5.196 0.036 4 0 "[ . 1 . 2]" 1
402 1 25 ASP H 1 28 GLY HA3 5.060 . 5.060 4.319 4.267 4.440 . 0 0 "[ . 1 . 2]" 1
403 1 25 ASP HA 1 26 PRO HA 3.480 . 3.480 2.032 2.008 2.049 . 0 0 "[ . 1 . 2]" 1
404 1 25 ASP HA 1 27 TYR H 4.890 . 4.890 4.255 4.192 4.338 . 0 0 "[ . 1 . 2]" 1
405 1 25 ASP QB 1 26 PRO HA 4.210 . 4.210 4.021 3.797 4.190 . 0 0 "[ . 1 . 2]" 1
406 1 26 PRO QB 1 27 TYR H 4.200 . 4.200 3.003 2.920 3.471 . 0 0 "[ . 1 . 2]" 1
407 1 26 PRO QB 1 27 TYR QD 4.400 . 4.400 3.039 2.597 4.047 . 0 0 "[ . 1 . 2]" 1
408 1 26 PRO QB 1 27 TYR QE 4.980 . 4.980 3.265 2.914 4.149 . 0 0 "[ . 1 . 2]" 1
409 1 26 PRO HD2 1 27 TYR H 3.180 . 3.180 1.980 1.923 2.249 . 0 0 "[ . 1 . 2]" 1
410 1 26 PRO HD2 1 27 TYR QD 4.180 . 4.180 2.436 2.303 3.003 . 0 0 "[ . 1 . 2]" 1
411 1 26 PRO HD2 1 27 TYR QE 5.160 . 5.160 4.055 3.432 4.320 . 0 0 "[ . 1 . 2]" 1
412 1 26 PRO HD3 1 27 TYR H 3.900 . 3.900 3.471 3.431 3.638 . 0 0 "[ . 1 . 2]" 1
413 1 26 PRO HD3 1 27 TYR QD 5.270 . 5.270 4.072 3.964 4.502 . 0 0 "[ . 1 . 2]" 1
414 1 26 PRO HD3 1 27 TYR QE 5.500 . 5.500 5.124 4.351 5.377 . 0 0 "[ . 1 . 2]" 1
415 1 26 PRO QG 1 27 TYR H 3.520 . 3.520 3.278 2.497 3.411 . 0 0 "[ . 1 . 2]" 1
416 1 26 PRO QG 1 27 TYR QE 3.920 . 3.920 2.755 2.507 2.883 . 0 0 "[ . 1 . 2]" 1
417 1 26 PRO HG2 1 27 TYR H 4.230 . 4.230 3.425 2.526 3.584 . 0 0 "[ . 1 . 2]" 1
418 1 26 PRO HG2 1 27 TYR QD 4.370 . 4.370 2.769 2.505 2.893 . 0 0 "[ . 1 . 2]" 1
419 1 26 PRO HG2 1 27 TYR QE 4.490 . 4.490 2.789 2.551 2.917 . 0 0 "[ . 1 . 2]" 1
420 1 26 PRO HG3 1 27 TYR H 4.230 . 4.230 4.227 3.903 4.275 0.045 5 0 "[ . 1 . 2]" 1
421 1 26 PRO HG3 1 27 TYR QD 4.370 . 4.370 4.281 4.030 4.410 0.040 4 0 "[ . 1 . 2]" 1
422 1 26 PRO HG3 1 27 TYR QE 4.490 . 4.490 4.349 3.680 4.508 0.018 1 0 "[ . 1 . 2]" 1
423 1 27 TYR H 1 27 TYR HB2 3.140 . 3.140 2.568 2.501 2.706 . 0 0 "[ . 1 . 2]" 1
424 1 27 TYR H 1 27 TYR HB3 3.880 . 3.880 3.698 3.668 3.739 . 0 0 "[ . 1 . 2]" 1
425 1 27 TYR H 1 27 TYR QD 3.510 . 3.510 2.393 2.281 2.721 . 0 0 "[ . 1 . 2]" 1
426 1 27 TYR H 1 27 TYR QE 4.870 . 4.870 4.430 4.314 4.514 . 0 0 "[ . 1 . 2]" 1
427 1 27 TYR H 1 28 GLY H 4.660 . 4.660 4.542 4.508 4.591 . 0 0 "[ . 1 . 2]" 1
428 1 27 TYR HA 1 27 TYR QD 3.230 . 3.230 3.052 2.758 3.132 . 0 0 "[ . 1 . 2]" 1
429 1 27 TYR HA 1 27 TYR QE 5.080 . 5.080 4.763 4.693 4.804 . 0 0 "[ . 1 . 2]" 1
430 1 27 TYR HA 1 28 GLY H 2.700 . 2.700 2.472 2.395 2.513 . 0 0 "[ . 1 . 2]" 1
431 1 27 TYR HA 1 28 GLY HA2 5.210 . 5.210 4.602 4.531 4.636 . 0 0 "[ . 1 . 2]" 1
432 1 27 TYR HA 1 28 GLY HA3 5.340 . 5.340 4.336 4.323 4.347 . 0 0 "[ . 1 . 2]" 1
433 1 27 TYR HB2 1 28 GLY H 4.210 . 4.210 3.442 3.369 3.562 . 0 0 "[ . 1 . 2]" 1
434 1 27 TYR HB2 1 29 ILE MD 5.500 . 5.500 5.458 5.245 5.525 0.025 8 0 "[ . 1 . 2]" 1
435 1 27 TYR HB3 1 28 GLY H 2.960 . 2.960 2.327 2.204 2.525 . 0 0 "[ . 1 . 2]" 1
436 1 27 TYR QD 1 28 GLY H 4.390 . 4.390 3.861 3.748 4.112 . 0 0 "[ . 1 . 2]" 1
437 1 28 GLY H 1 29 ILE H 4.290 . 4.290 4.307 4.294 4.327 0.037 19 0 "[ . 1 . 2]" 1
438 1 28 GLY H 1 29 ILE HA 4.810 . 4.810 4.669 4.620 4.720 . 0 0 "[ . 1 . 2]" 1
439 1 28 GLY H 1 29 ILE MD 5.300 . 5.300 4.119 4.047 4.186 . 0 0 "[ . 1 . 2]" 1
440 1 28 GLY HA2 1 29 ILE H 3.060 . 3.060 2.760 2.710 2.797 . 0 0 "[ . 1 . 2]" 1
441 1 28 GLY HA2 1 29 ILE HA 5.500 . 5.500 4.457 4.417 4.505 . 0 0 "[ . 1 . 2]" 1
442 1 28 GLY HA2 1 29 ILE MD 4.630 . 4.630 3.094 2.973 3.373 . 0 0 "[ . 1 . 2]" 1
443 1 28 GLY HA2 1 29 ILE HG12 5.500 . 5.500 3.453 3.265 3.556 . 0 0 "[ . 1 . 2]" 1
444 1 28 GLY HA2 1 29 ILE HG13 5.500 . 5.500 5.069 4.970 5.131 . 0 0 "[ . 1 . 2]" 1
445 1 28 GLY HA3 1 29 ILE H 2.870 . 2.870 2.318 2.283 2.350 . 0 0 "[ . 1 . 2]" 1
446 1 28 GLY HA3 1 29 ILE HA 5.500 . 5.500 4.384 4.366 4.400 . 0 0 "[ . 1 . 2]" 1
447 1 28 GLY HA3 1 29 ILE HB 5.500 . 5.500 5.271 5.214 5.327 . 0 0 "[ . 1 . 2]" 1
448 1 28 GLY HA3 1 29 ILE MD 5.500 . 5.500 4.025 3.937 4.223 . 0 0 "[ . 1 . 2]" 1
449 1 28 GLY HA3 1 29 ILE QG 5.340 . 5.340 4.080 4.024 4.123 . 0 0 "[ . 1 . 2]" 1
450 1 28 GLY HA3 1 29 ILE MG 5.500 . 5.500 5.575 5.547 5.597 0.097 11 0 "[ . 1 . 2]" 1
451 1 29 ILE H 1 29 ILE HB 3.160 . 3.160 2.975 2.942 3.037 . 0 0 "[ . 1 . 2]" 1
452 1 29 ILE H 1 29 ILE MD 4.190 . 4.190 3.169 3.012 3.440 . 0 0 "[ . 1 . 2]" 1
453 1 29 ILE H 1 29 ILE HG12 4.250 . 4.250 2.462 2.366 2.639 . 0 0 "[ . 1 . 2]" 1
454 1 29 ILE H 1 29 ILE QG 3.580 . 3.580 2.440 2.347 2.609 . 0 0 "[ . 1 . 2]" 1
455 1 29 ILE H 1 29 ILE HG13 4.250 . 4.250 3.987 3.907 4.118 . 0 0 "[ . 1 . 2]" 1
456 1 29 ILE H 1 29 ILE MG 4.030 . 4.030 3.947 3.918 3.981 . 0 0 "[ . 1 . 2]" 1
457 1 29 ILE H 1 30 CYS H 4.500 . 4.500 4.477 4.445 4.505 0.005 17 0 "[ . 1 . 2]" 1
458 1 29 ILE H 1 31 TYR QE 4.840 . 4.840 4.257 4.032 4.695 . 0 0 "[ . 1 . 2]" 1
459 1 29 ILE HA 1 29 ILE MD 3.530 . 3.530 2.543 2.489 2.630 . 0 0 "[ . 1 . 2]" 1
460 1 29 ILE HA 1 30 CYS H 2.540 . 2.540 2.300 2.271 2.334 . 0 0 "[ . 1 . 2]" 1
461 1 29 ILE HB 1 29 ILE MD 3.600 . 3.600 3.287 3.285 3.289 . 0 0 "[ . 1 . 2]" 1
462 1 29 ILE HB 1 30 CYS H 3.670 . 3.670 3.438 3.358 3.506 . 0 0 "[ . 1 . 2]" 1
463 1 29 ILE HB 1 30 CYS HB2 5.500 . 5.500 5.470 5.359 5.525 0.025 2 0 "[ . 1 . 2]" 1
464 1 29 ILE HB 1 31 TYR QD 3.640 . 3.640 2.858 2.480 2.984 . 0 0 "[ . 1 . 2]" 1
465 1 29 ILE MD 1 30 CYS H 4.380 . 4.380 4.249 4.169 4.337 . 0 0 "[ . 1 . 2]" 1
466 1 29 ILE QG 1 30 CYS H 5.030 . 5.030 4.592 4.560 4.627 . 0 0 "[ . 1 . 2]" 1
467 1 29 ILE QG 1 31 TYR QD 5.340 . 5.340 3.938 3.722 4.058 . 0 0 "[ . 1 . 2]" 1
468 1 29 ILE MG 1 30 CYS H 2.990 . 2.990 2.045 1.977 2.124 . 0 0 "[ . 1 . 2]" 1
469 1 29 ILE MG 1 30 CYS HB2 4.630 . 4.630 3.629 3.489 3.883 . 0 0 "[ . 1 . 2]" 1
470 1 29 ILE MG 1 31 TYR H 5.040 . 5.040 4.785 4.443 4.966 . 0 0 "[ . 1 . 2]" 1
471 1 29 ILE MG 1 31 TYR QD 4.210 . 4.210 3.938 3.634 4.067 . 0 0 "[ . 1 . 2]" 1
472 1 30 CYS H 1 30 CYS HB2 2.870 . 2.870 2.256 2.218 2.283 . 0 0 "[ . 1 . 2]" 1
473 1 30 CYS H 1 30 CYS HB3 3.550 . 3.550 3.400 2.941 3.558 0.008 6 0 "[ . 1 . 2]" 1
474 1 30 CYS H 1 31 TYR H 4.330 . 4.330 4.275 4.121 4.338 0.008 12 0 "[ . 1 . 2]" 1
475 1 30 CYS HA 1 31 TYR H 2.510 . 2.510 2.138 2.112 2.188 . 0 0 "[ . 1 . 2]" 1
476 1 30 CYS HA 1 31 TYR QD 5.290 . 5.290 4.849 4.791 4.969 . 0 0 "[ . 1 . 2]" 1
477 1 30 CYS HB2 1 31 TYR H 4.670 . 4.670 4.547 4.502 4.600 . 0 0 "[ . 1 . 2]" 1
478 1 31 TYR H 1 31 TYR HB2 3.050 . 3.050 2.576 2.515 2.612 . 0 0 "[ . 1 . 2]" 1
479 1 31 TYR H 1 31 TYR HB3 3.930 . 3.930 3.732 3.693 3.756 . 0 0 "[ . 1 . 2]" 1
480 1 31 TYR H 1 31 TYR QD 3.970 . 3.970 3.714 3.651 3.759 . 0 0 "[ . 1 . 2]" 1
481 1 31 TYR H 1 32 ILE H 4.560 . 4.560 4.459 4.453 4.475 . 0 0 "[ . 1 . 2]" 1
482 1 31 TYR HA 1 31 TYR QD 3.390 . 3.390 2.324 2.307 2.341 . 0 0 "[ . 1 . 2]" 1
483 1 31 TYR HA 1 32 ILE H 2.780 . 2.780 2.444 2.423 2.460 . 0 0 "[ . 1 . 2]" 1
484 1 31 TYR HA 1 32 ILE HA 4.800 . 4.800 4.385 4.379 4.389 . 0 0 "[ . 1 . 2]" 1
485 1 31 TYR HA 1 32 ILE HB 5.070 . 5.070 4.409 4.396 4.422 . 0 0 "[ . 1 . 2]" 1
486 1 31 TYR HA 1 32 ILE MG 4.610 . 4.610 4.029 4.019 4.039 . 0 0 "[ . 1 . 2]" 1
487 1 31 TYR HB2 1 32 ILE H 3.910 . 3.910 3.670 3.650 3.692 . 0 0 "[ . 1 . 2]" 1
488 1 31 TYR HB2 1 32 ILE HA 5.080 . 5.080 5.004 4.987 5.026 . 0 0 "[ . 1 . 2]" 1
489 1 31 TYR HB3 1 32 ILE H 3.270 . 3.270 2.354 2.323 2.389 . 0 0 "[ . 1 . 2]" 1
490 1 31 TYR HB3 1 32 ILE HB 5.500 . 5.500 5.173 5.140 5.196 . 0 0 "[ . 1 . 2]" 1
491 1 31 TYR HB3 1 32 ILE MG 5.500 . 5.500 3.929 3.896 3.959 . 0 0 "[ . 1 . 2]" 1
492 1 31 TYR HB3 1 33 ILE H 5.500 . 5.500 5.515 5.508 5.520 0.020 4 0 "[ . 1 . 2]" 1
493 1 31 TYR QD 1 32 ILE H 4.030 . 4.030 3.410 3.327 3.441 . 0 0 "[ . 1 . 2]" 1
494 1 31 TYR QD 1 32 ILE MG 4.760 . 4.760 4.343 4.243 4.386 . 0 0 "[ . 1 . 2]" 1
495 1 32 ILE H 1 32 ILE HB 3.210 . 3.210 2.860 2.850 2.869 . 0 0 "[ . 1 . 2]" 1
496 1 32 ILE H 1 32 ILE QG 4.560 . 4.560 4.110 4.075 4.115 . 0 0 "[ . 1 . 2]" 1
497 1 32 ILE H 1 32 ILE MG 3.540 . 3.540 2.111 2.104 2.121 . 0 0 "[ . 1 . 2]" 1
498 1 32 ILE HA 1 32 ILE MD 4.000 . 4.000 2.461 2.405 3.345 . 0 0 "[ . 1 . 2]" 1
499 1 32 ILE HA 1 32 ILE HG12 3.770 . 3.770 3.749 3.505 3.765 . 0 0 "[ . 1 . 2]" 1
500 1 32 ILE HA 1 32 ILE HG13 3.770 . 3.770 2.661 2.318 2.690 . 0 0 "[ . 1 . 2]" 1
501 1 32 ILE HA 1 32 ILE MG 3.250 . 3.250 3.250 3.249 3.251 0.001 3 0 "[ . 1 . 2]" 1
502 1 32 ILE HA 1 33 ILE H 2.620 . 2.620 2.159 2.155 2.167 . 0 0 "[ . 1 . 2]" 1
503 1 32 ILE HA 1 33 ILE QG 5.080 . 5.080 3.561 3.535 3.705 . 0 0 "[ . 1 . 2]" 1
504 1 32 ILE HB 1 33 ILE H 4.290 . 4.290 4.220 4.196 4.232 . 0 0 "[ . 1 . 2]" 1
505 1 32 ILE MD 1 33 ILE H 4.890 . 4.890 3.181 3.117 4.120 . 0 0 "[ . 1 . 2]" 1
506 1 32 ILE HG12 1 33 ILE H 4.480 . 4.480 4.183 3.638 4.252 . 0 0 "[ . 1 . 2]" 1
507 1 32 ILE HG13 1 33 ILE H 4.480 . 4.480 2.498 2.418 2.544 . 0 0 "[ . 1 . 2]" 1
508 1 33 ILE H 1 33 ILE HB 3.820 . 3.820 3.663 3.656 3.670 . 0 0 "[ . 1 . 2]" 1
509 1 33 ILE H 1 33 ILE HG12 4.020 . 4.020 3.186 2.545 3.276 . 0 0 "[ . 1 . 2]" 1
510 1 33 ILE H 1 33 ILE QG 3.440 . 3.440 1.746 1.706 2.003 . 0 0 "[ . 1 . 2]" 1
511 1 33 ILE H 1 33 ILE HG13 4.020 . 4.020 1.761 1.712 2.096 . 0 0 "[ . 1 . 2]" 1
512 1 33 ILE H 1 33 ILE MG 3.780 . 3.780 2.904 2.881 2.933 . 0 0 "[ . 1 . 2]" 1
513 1 33 ILE HA 1 33 ILE MD 4.250 . 4.250 3.873 3.835 4.155 . 0 0 "[ . 1 . 2]" 1
514 1 33 ILE HA 1 33 ILE MG 3.290 . 3.290 2.219 2.202 2.227 . 0 0 "[ . 1 . 2]" 1
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