NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
599174 |
2n24   |
25585 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n24
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 480
_Distance_constraint_stats_list.Viol_count 930
_Distance_constraint_stats_list.Viol_total 531.092
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0109
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0286
_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 PCA 0.045 0.017 6 0 "[ . 1 . 2]"
1 2 TRP 0.199 0.016 14 0 "[ . 1 . 2]"
1 3 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLN 1.600 0.075 5 0 "[ . 1 . 2]"
1 5 PRO 1.207 0.075 5 0 "[ . 1 . 2]"
1 6 GLY 0.632 0.042 14 0 "[ . 1 . 2]"
1 7 TYR 5.270 0.105 15 0 "[ . 1 . 2]"
1 8 ALA 2.217 0.076 3 0 "[ . 1 . 2]"
1 9 TYR 4.163 0.070 12 0 "[ . 1 . 2]"
1 10 ASN 2.185 0.057 10 0 "[ . 1 . 2]"
1 11 PRO 2.025 0.055 7 0 "[ . 1 . 2]"
1 12 VAL 1.375 0.075 10 0 "[ . 1 . 2]"
1 13 LEU 2.401 0.075 10 0 "[ . 1 . 2]"
1 14 GLY 0.329 0.027 10 0 "[ . 1 . 2]"
1 15 ILE 1.480 0.051 10 0 "[ . 1 . 2]"
1 16 CYS 1.713 0.071 10 0 "[ . 1 . 2]"
1 17 THR 2.413 0.074 10 0 "[ . 1 . 2]"
1 18 ILE 3.920 0.105 15 0 "[ . 1 . 2]"
1 19 THR 1.542 0.064 3 0 "[ . 1 . 2]"
1 20 LEU 2.521 0.159 8 0 "[ . 1 . 2]"
1 21 SER 1.148 0.099 13 0 "[ . 1 . 2]"
1 22 ARG 0.855 0.059 7 0 "[ . 1 . 2]"
1 23 ILE 1.790 0.098 20 0 "[ . 1 . 2]"
1 24 GLU 1.947 0.113 10 0 "[ . 1 . 2]"
1 25 HIS 1.427 0.113 10 0 "[ . 1 . 2]"
1 26 PRO 0.333 0.103 16 0 "[ . 1 . 2]"
1 27 GLY 0.086 0.053 14 0 "[ . 1 . 2]"
1 28 ASN 0.699 0.092 13 0 "[ . 1 . 2]"
1 29 TYR 1.180 0.099 16 0 "[ . 1 . 2]"
1 30 ASP 0.355 0.099 16 0 "[ . 1 . 2]"
1 31 TYR 0.058 0.017 4 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 PCA HA 1 2 TRP H 3.220 . 3.220 2.393 2.162 2.882 . 0 0 "[ . 1 . 2]" 1
2 1 1 PCA HA 1 9 TYR QD 5.420 . 5.420 4.707 3.830 5.232 . 0 0 "[ . 1 . 2]" 1
3 1 1 PCA HA 1 9 TYR QE 5.450 . 5.450 4.940 4.116 5.465 0.015 20 0 "[ . 1 . 2]" 1
4 1 1 PCA HB2 1 9 TYR QE 5.230 . 5.230 3.992 3.504 4.548 . 0 0 "[ . 1 . 2]" 1
5 1 1 PCA HB3 1 9 TYR QE 5.230 . 5.230 3.238 2.866 3.504 . 0 0 "[ . 1 . 2]" 1
6 1 1 PCA HG2 1 9 TYR QD 5.080 . 5.080 3.970 3.456 4.933 . 0 0 "[ . 1 . 2]" 1
7 1 1 PCA HG2 1 9 TYR QE 5.030 . 5.030 3.421 2.907 4.414 . 0 0 "[ . 1 . 2]" 1
8 1 1 PCA HG3 1 9 TYR QD 5.080 . 5.080 3.380 2.551 4.973 . 0 0 "[ . 1 . 2]" 1
9 1 1 PCA HG3 1 9 TYR QE 5.030 . 5.030 3.780 3.022 5.047 0.017 6 0 "[ . 1 . 2]" 1
10 1 2 TRP H 1 2 TRP HB2 3.310 . 3.310 2.528 2.499 2.557 . 0 0 "[ . 1 . 2]" 1
11 1 2 TRP H 1 2 TRP HB3 3.310 . 3.310 2.548 2.523 2.571 . 0 0 "[ . 1 . 2]" 1
12 1 2 TRP H 1 2 TRP HD1 5.390 . 5.390 4.888 4.849 4.927 . 0 0 "[ . 1 . 2]" 1
13 1 2 TRP H 1 2 TRP HE3 5.170 . 5.170 4.747 4.692 4.795 . 0 0 "[ . 1 . 2]" 1
14 1 2 TRP HA 1 2 TRP HD1 3.890 . 3.890 3.075 3.047 3.095 . 0 0 "[ . 1 . 2]" 1
15 1 2 TRP HA 1 2 TRP HE3 4.450 . 4.450 4.460 4.453 4.466 0.016 14 0 "[ . 1 . 2]" 1
16 1 2 TRP HA 1 3 CYS H 2.800 . 2.800 2.168 2.159 2.178 . 0 0 "[ . 1 . 2]" 1
17 1 2 TRP HB2 1 2 TRP HD1 3.260 . 3.260 2.645 2.640 2.652 . 0 0 "[ . 1 . 2]" 1
18 1 2 TRP HB2 1 3 CYS H 4.340 . 4.340 4.223 4.205 4.248 . 0 0 "[ . 1 . 2]" 1
19 1 2 TRP HB3 1 2 TRP HD1 3.880 . 3.880 3.807 3.805 3.810 . 0 0 "[ . 1 . 2]" 1
20 1 2 TRP HB3 1 2 TRP HE3 3.640 . 3.640 2.621 2.612 2.628 . 0 0 "[ . 1 . 2]" 1
21 1 2 TRP HB3 1 3 CYS H 4.400 . 4.400 4.126 4.093 4.159 . 0 0 "[ . 1 . 2]" 1
22 1 2 TRP HE3 1 3 CYS HA 5.210 . 5.210 3.499 3.445 3.557 . 0 0 "[ . 1 . 2]" 1
23 1 2 TRP HE3 1 4 GLN H 5.000 . 5.000 4.463 4.389 4.577 . 0 0 "[ . 1 . 2]" 1
24 1 2 TRP HH2 1 4 GLN H 5.500 . 5.500 4.776 4.574 4.893 . 0 0 "[ . 1 . 2]" 1
25 1 2 TRP HH2 1 4 GLN HA 4.160 . 4.160 2.738 2.574 2.948 . 0 0 "[ . 1 . 2]" 1
26 1 2 TRP HH2 1 4 GLN HB2 5.100 . 5.100 4.394 4.277 4.610 . 0 0 "[ . 1 . 2]" 1
27 1 2 TRP HH2 1 4 GLN HB3 5.180 . 5.180 2.730 2.619 2.986 . 0 0 "[ . 1 . 2]" 1
28 1 2 TRP HH2 1 4 GLN QG 3.900 . 3.900 3.697 3.439 3.895 . 0 0 "[ . 1 . 2]" 1
29 1 2 TRP HH2 1 5 PRO HD2 5.500 . 5.500 4.021 3.743 4.226 . 0 0 "[ . 1 . 2]" 1
30 1 2 TRP HH2 1 5 PRO QD 4.680 . 4.680 3.174 2.937 3.488 . 0 0 "[ . 1 . 2]" 1
31 1 2 TRP HH2 1 5 PRO HD3 5.500 . 5.500 3.335 3.045 3.807 . 0 0 "[ . 1 . 2]" 1
32 1 2 TRP HZ2 1 4 GLN HA 4.260 . 4.260 3.513 3.362 3.640 . 0 0 "[ . 1 . 2]" 1
33 1 2 TRP HZ2 1 5 PRO QD 4.400 . 4.400 3.644 3.332 3.816 . 0 0 "[ . 1 . 2]" 1
34 1 2 TRP HZ2 1 5 PRO QG 5.140 . 5.140 4.919 4.760 5.142 0.002 20 0 "[ . 1 . 2]" 1
35 1 2 TRP HZ3 1 4 GLN H 5.000 . 5.000 3.919 3.812 4.010 . 0 0 "[ . 1 . 2]" 1
36 1 2 TRP HZ3 1 4 GLN HA 4.630 . 4.630 3.604 3.390 3.937 . 0 0 "[ . 1 . 2]" 1
37 1 2 TRP HZ3 1 4 GLN HB3 5.350 . 5.350 3.253 3.005 3.630 . 0 0 "[ . 1 . 2]" 1
38 1 2 TRP HZ3 1 4 GLN HG2 5.500 . 5.500 2.418 2.332 2.901 . 0 0 "[ . 1 . 2]" 1
39 1 2 TRP HZ3 1 4 GLN QG 4.850 . 4.850 2.403 2.318 2.872 . 0 0 "[ . 1 . 2]" 1
40 1 2 TRP HZ3 1 4 GLN HG3 5.500 . 5.500 4.165 4.062 4.612 . 0 0 "[ . 1 . 2]" 1
41 1 3 CYS CB 1 16 CYS SG 3.100 . 3.100 3.027 3.020 3.034 . 0 0 "[ . 1 . 2]" 1
42 1 3 CYS H 1 3 CYS HB2 3.990 . 3.990 2.594 2.566 2.630 . 0 0 "[ . 1 . 2]" 1
43 1 3 CYS H 1 3 CYS QB 3.310 . 3.310 2.550 2.524 2.583 . 0 0 "[ . 1 . 2]" 1
44 1 3 CYS H 1 3 CYS HB3 3.990 . 3.990 3.753 3.738 3.773 . 0 0 "[ . 1 . 2]" 1
45 1 3 CYS H 1 4 GLN H 4.620 . 4.620 4.484 4.451 4.517 . 0 0 "[ . 1 . 2]" 1
46 1 3 CYS HA 1 4 GLN H 3.080 . 3.080 2.277 2.238 2.311 . 0 0 "[ . 1 . 2]" 1
47 1 3 CYS QB 1 4 GLN H 3.070 . 3.070 2.678 2.588 2.749 . 0 0 "[ . 1 . 2]" 1
48 1 3 CYS QB 1 7 TYR H 5.200 . 5.200 4.288 4.246 4.381 . 0 0 "[ . 1 . 2]" 1
49 1 3 CYS QB 1 7 TYR HB2 4.240 . 4.240 3.053 2.964 3.199 . 0 0 "[ . 1 . 2]" 1
50 1 3 CYS QB 1 8 ALA H 5.270 . 5.270 3.959 3.851 4.229 . 0 0 "[ . 1 . 2]" 1
51 1 3 CYS QB 1 8 ALA HA 4.930 . 4.930 3.074 2.964 3.384 . 0 0 "[ . 1 . 2]" 1
52 1 3 CYS QB 1 9 TYR H 4.620 . 4.620 3.294 3.222 3.382 . 0 0 "[ . 1 . 2]" 1
53 1 3 CYS SG 1 16 CYS CB 3.100 . 3.100 3.029 3.024 3.037 . 0 0 "[ . 1 . 2]" 1
54 1 3 CYS SG 1 16 CYS SG 2.100 . 2.100 2.020 2.018 2.022 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLN H 1 4 GLN HB2 3.160 . 3.160 3.186 3.168 3.212 0.052 20 0 "[ . 1 . 2]" 1
56 1 4 GLN H 1 4 GLN HB3 3.590 . 3.590 3.428 3.284 3.467 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLN H 1 4 GLN QE 5.340 . 5.340 3.909 3.799 4.103 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLN H 1 4 GLN HG2 3.670 . 3.670 2.053 1.837 2.126 . 0 0 "[ . 1 . 2]" 1
59 1 4 GLN H 1 4 GLN HG3 3.670 . 3.670 1.786 1.781 1.795 0.019 11 0 "[ . 1 . 2]" 1
60 1 4 GLN H 1 5 PRO HD2 4.960 . 4.960 4.955 4.691 4.993 0.033 19 0 "[ . 1 . 2]" 1
61 1 4 GLN H 1 5 PRO HD3 4.960 . 4.960 4.876 4.839 5.035 0.075 5 0 "[ . 1 . 2]" 1
62 1 4 GLN H 1 7 TYR HB2 4.240 . 4.240 2.958 2.849 3.331 . 0 0 "[ . 1 . 2]" 1
63 1 4 GLN H 1 7 TYR QD 4.910 . 4.910 4.582 4.498 4.899 . 0 0 "[ . 1 . 2]" 1
64 1 4 GLN H 1 16 CYS HB2 5.040 . 5.040 3.654 3.560 3.739 . 0 0 "[ . 1 . 2]" 1
65 1 4 GLN H 1 16 CYS QB 4.340 . 4.340 3.350 3.287 3.433 . 0 0 "[ . 1 . 2]" 1
66 1 4 GLN H 1 16 CYS HB3 5.040 . 5.040 3.895 3.852 4.011 . 0 0 "[ . 1 . 2]" 1
67 1 4 GLN HA 1 4 GLN HG2 4.170 . 4.170 3.148 3.105 3.217 . 0 0 "[ . 1 . 2]" 1
68 1 4 GLN HA 1 4 GLN QG 3.630 . 3.630 2.977 2.946 3.025 . 0 0 "[ . 1 . 2]" 1
69 1 4 GLN HA 1 4 GLN HG3 4.170 . 4.170 3.670 3.662 3.685 . 0 0 "[ . 1 . 2]" 1
70 1 4 GLN HA 1 5 PRO HD2 3.400 . 3.400 2.979 2.505 3.096 . 0 0 "[ . 1 . 2]" 1
71 1 4 GLN HA 1 5 PRO QD 2.770 . 2.770 2.135 2.102 2.174 . 0 0 "[ . 1 . 2]" 1
72 1 4 GLN HA 1 5 PRO HD3 3.400 . 3.400 2.195 2.147 2.342 . 0 0 "[ . 1 . 2]" 1
73 1 4 GLN HB2 1 5 PRO HD2 4.430 . 4.430 2.420 2.388 2.467 . 0 0 "[ . 1 . 2]" 1
74 1 4 GLN HB2 1 5 PRO QD 3.650 . 3.650 2.373 2.339 2.418 . 0 0 "[ . 1 . 2]" 1
75 1 4 GLN HB2 1 5 PRO HD3 4.430 . 4.430 3.432 3.340 3.793 . 0 0 "[ . 1 . 2]" 1
76 1 4 GLN HB2 1 7 TYR HB2 5.500 . 5.500 3.684 3.468 3.856 . 0 0 "[ . 1 . 2]" 1
77 1 4 GLN HB2 1 7 TYR QD 3.730 . 3.730 3.728 3.668 3.761 0.031 18 0 "[ . 1 . 2]" 1
78 1 4 GLN HB3 1 4 GLN HE22 5.500 . 5.500 4.465 4.155 4.623 . 0 0 "[ . 1 . 2]" 1
79 1 4 GLN HB3 1 4 GLN QG 2.600 . 2.600 2.387 2.375 2.394 . 0 0 "[ . 1 . 2]" 1
80 1 4 GLN HB3 1 5 PRO QD 4.100 . 4.100 2.353 2.291 2.394 . 0 0 "[ . 1 . 2]" 1
81 1 4 GLN QG 1 7 TYR HB2 4.600 . 4.600 2.955 2.749 3.040 . 0 0 "[ . 1 . 2]" 1
82 1 4 GLN QG 1 7 TYR QD 3.850 . 3.850 3.849 3.787 3.866 0.016 13 0 "[ . 1 . 2]" 1
83 1 4 GLN HG2 1 7 TYR HB2 5.300 . 5.300 4.505 4.392 4.579 . 0 0 "[ . 1 . 2]" 1
84 1 4 GLN HG3 1 7 TYR HB2 5.300 . 5.300 2.997 2.778 3.086 . 0 0 "[ . 1 . 2]" 1
85 1 5 PRO HA 1 6 GLY H 2.790 . 2.790 2.190 2.170 2.199 . 0 0 "[ . 1 . 2]" 1
86 1 5 PRO HA 1 6 GLY HA2 5.500 . 5.500 4.451 4.433 4.457 . 0 0 "[ . 1 . 2]" 1
87 1 5 PRO HA 1 7 TYR H 5.270 . 5.270 3.292 3.180 3.318 . 0 0 "[ . 1 . 2]" 1
88 1 5 PRO QB 1 6 GLY H 3.780 . 3.780 3.158 3.127 3.174 . 0 0 "[ . 1 . 2]" 1
89 1 5 PRO HB2 1 6 GLY H 4.480 . 4.480 3.675 3.343 3.731 . 0 0 "[ . 1 . 2]" 1
90 1 5 PRO HB3 1 6 GLY H 4.480 . 4.480 3.459 3.411 3.786 . 0 0 "[ . 1 . 2]" 1
91 1 5 PRO HG2 1 6 GLY H 5.500 . 5.500 5.480 5.005 5.542 0.042 14 0 "[ . 1 . 2]" 1
92 1 5 PRO HG3 1 6 GLY H 5.500 . 5.500 5.137 5.068 5.535 0.035 20 0 "[ . 1 . 2]" 1
93 1 6 GLY H 1 7 TYR H 3.350 . 3.350 2.543 2.498 2.562 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLY H 1 7 TYR HB2 5.250 . 5.250 4.946 4.878 4.982 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLY H 1 7 TYR QD 5.500 . 5.500 4.395 4.356 4.458 . 0 0 "[ . 1 . 2]" 1
96 1 6 GLY HA2 1 7 TYR QD 4.730 . 4.730 4.259 4.223 4.300 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLY HA3 1 7 TYR QD 3.760 . 3.760 3.084 3.039 3.121 . 0 0 "[ . 1 . 2]" 1
98 1 7 TYR H 1 7 TYR HB2 3.220 . 3.220 2.509 2.436 2.544 . 0 0 "[ . 1 . 2]" 1
99 1 7 TYR H 1 7 TYR HB3 3.750 . 3.750 3.685 3.637 3.706 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR H 1 7 TYR QD 3.430 . 3.430 2.759 2.695 2.796 . 0 0 "[ . 1 . 2]" 1
101 1 7 TYR H 1 8 ALA H 5.330 . 5.330 4.460 4.445 4.479 . 0 0 "[ . 1 . 2]" 1
102 1 7 TYR H 1 8 ALA HA 5.370 . 5.370 4.933 4.907 4.971 . 0 0 "[ . 1 . 2]" 1
103 1 7 TYR H 1 16 CYS QB 5.340 . 5.340 5.170 5.045 5.198 . 0 0 "[ . 1 . 2]" 1
104 1 7 TYR H 1 19 THR MG 4.630 . 4.630 3.394 3.239 3.738 . 0 0 "[ . 1 . 2]" 1
105 1 7 TYR HA 1 7 TYR QD 3.460 . 3.460 3.031 3.002 3.053 . 0 0 "[ . 1 . 2]" 1
106 1 7 TYR HA 1 8 ALA H 2.870 . 2.870 2.392 2.362 2.426 . 0 0 "[ . 1 . 2]" 1
107 1 7 TYR HA 1 8 ALA MB 4.260 . 4.260 3.775 3.728 3.852 . 0 0 "[ . 1 . 2]" 1
108 1 7 TYR HA 1 17 THR H 5.280 . 5.280 4.428 4.371 4.588 . 0 0 "[ . 1 . 2]" 1
109 1 7 TYR HA 1 18 ILE H 5.330 . 5.330 4.331 4.289 4.420 . 0 0 "[ . 1 . 2]" 1
110 1 7 TYR HA 1 18 ILE HA 2.950 . 2.950 2.246 2.198 2.304 . 0 0 "[ . 1 . 2]" 1
111 1 7 TYR HA 1 18 ILE MD 5.120 . 5.120 5.185 5.152 5.225 0.105 15 0 "[ . 1 . 2]" 1
112 1 7 TYR HA 1 18 ILE QG 4.710 . 4.710 3.774 3.678 3.835 . 0 0 "[ . 1 . 2]" 1
113 1 7 TYR HA 1 18 ILE MG 5.040 . 5.040 4.872 4.830 4.920 . 0 0 "[ . 1 . 2]" 1
114 1 7 TYR HA 1 19 THR H 3.420 . 3.420 2.595 2.502 2.758 . 0 0 "[ . 1 . 2]" 1
115 1 7 TYR HA 1 19 THR MG 3.730 . 3.730 2.598 2.424 2.752 . 0 0 "[ . 1 . 2]" 1
116 1 7 TYR HB2 1 8 ALA H 3.670 . 3.670 3.720 3.701 3.746 0.076 3 0 "[ . 1 . 2]" 1
117 1 7 TYR HB2 1 16 CYS QB 4.960 . 4.960 3.268 3.173 3.315 . 0 0 "[ . 1 . 2]" 1
118 1 7 TYR HB2 1 17 THR H 5.160 . 5.160 5.207 5.188 5.234 0.074 10 0 "[ . 1 . 2]" 1
119 1 7 TYR HB3 1 8 ALA H 3.320 . 3.320 2.383 2.331 2.433 . 0 0 "[ . 1 . 2]" 1
120 1 7 TYR HB3 1 16 CYS H 5.300 . 5.300 5.345 5.321 5.371 0.071 10 0 "[ . 1 . 2]" 1
121 1 7 TYR HB3 1 16 CYS HA 4.750 . 4.750 4.143 4.083 4.184 . 0 0 "[ . 1 . 2]" 1
122 1 7 TYR HB3 1 16 CYS QB 3.550 . 3.550 2.207 2.185 2.232 . 0 0 "[ . 1 . 2]" 1
123 1 7 TYR HB3 1 17 THR H 4.180 . 4.180 3.466 3.446 3.492 . 0 0 "[ . 1 . 2]" 1
124 1 7 TYR HB3 1 18 ILE H 5.500 . 5.500 4.895 4.835 4.968 . 0 0 "[ . 1 . 2]" 1
125 1 7 TYR HB3 1 19 THR H 5.500 . 5.500 5.126 5.051 5.295 . 0 0 "[ . 1 . 2]" 1
126 1 7 TYR QD 1 8 ALA H 4.330 . 4.330 3.500 3.448 3.554 . 0 0 "[ . 1 . 2]" 1
127 1 7 TYR QD 1 16 CYS HA 4.380 . 4.380 4.403 4.381 4.430 0.050 9 0 "[ . 1 . 2]" 1
128 1 7 TYR QD 1 16 CYS HB2 3.810 . 3.810 3.317 3.216 3.365 . 0 0 "[ . 1 . 2]" 1
129 1 7 TYR QD 1 16 CYS HB3 3.810 . 3.810 3.507 3.462 3.621 . 0 0 "[ . 1 . 2]" 1
130 1 7 TYR QD 1 17 THR H 4.220 . 4.220 3.331 3.299 3.356 . 0 0 "[ . 1 . 2]" 1
131 1 7 TYR QD 1 17 THR HA 3.990 . 3.990 2.296 2.276 2.318 . 0 0 "[ . 1 . 2]" 1
132 1 7 TYR QD 1 17 THR HB 4.600 . 4.600 4.486 4.476 4.506 . 0 0 "[ . 1 . 2]" 1
133 1 7 TYR QD 1 18 ILE H 4.010 . 4.010 3.120 3.048 3.229 . 0 0 "[ . 1 . 2]" 1
134 1 7 TYR QD 1 18 ILE QG 4.000 . 4.000 3.906 3.632 4.009 0.009 18 0 "[ . 1 . 2]" 1
135 1 7 TYR QD 1 19 THR H 4.770 . 4.770 4.511 4.411 4.612 . 0 0 "[ . 1 . 2]" 1
136 1 7 TYR QE 1 17 THR HA 4.340 . 4.340 2.871 2.825 2.931 . 0 0 "[ . 1 . 2]" 1
137 1 7 TYR QE 1 18 ILE H 4.210 . 4.210 2.720 2.615 2.845 . 0 0 "[ . 1 . 2]" 1
138 1 7 TYR QE 1 18 ILE HB 3.420 . 3.420 3.164 3.095 3.234 . 0 0 "[ . 1 . 2]" 1
139 1 7 TYR QE 1 18 ILE MD 3.360 . 3.360 3.242 3.103 3.355 . 0 0 "[ . 1 . 2]" 1
140 1 7 TYR QE 1 18 ILE QG 4.420 . 4.420 3.579 3.210 3.713 . 0 0 "[ . 1 . 2]" 1
141 1 7 TYR QE 1 18 ILE MG 4.200 . 4.200 4.220 4.173 4.256 0.056 7 0 "[ . 1 . 2]" 1
142 1 8 ALA H 1 8 ALA MB 3.270 . 3.270 2.646 2.581 2.683 . 0 0 "[ . 1 . 2]" 1
143 1 8 ALA H 1 9 TYR H 4.240 . 4.240 4.270 4.258 4.283 0.043 5 0 "[ . 1 . 2]" 1
144 1 8 ALA H 1 16 CYS HA 4.840 . 4.840 3.900 3.858 3.960 . 0 0 "[ . 1 . 2]" 1
145 1 8 ALA H 1 16 CYS QB 4.120 . 4.120 3.054 3.000 3.136 . 0 0 "[ . 1 . 2]" 1
146 1 8 ALA H 1 17 THR H 3.180 . 3.180 2.527 2.484 2.607 . 0 0 "[ . 1 . 2]" 1
147 1 8 ALA H 1 17 THR HA 5.110 . 5.110 4.346 4.294 4.399 . 0 0 "[ . 1 . 2]" 1
148 1 8 ALA H 1 17 THR HB 5.290 . 5.290 5.221 5.161 5.301 0.011 3 0 "[ . 1 . 2]" 1
149 1 8 ALA H 1 17 THR MG 5.270 . 5.270 4.860 4.809 4.916 . 0 0 "[ . 1 . 2]" 1
150 1 8 ALA H 1 19 THR H 4.440 . 4.440 4.222 4.138 4.423 . 0 0 "[ . 1 . 2]" 1
151 1 8 ALA H 1 19 THR HA 4.930 . 4.930 4.952 4.912 4.994 0.064 3 0 "[ . 1 . 2]" 1
152 1 8 ALA H 1 19 THR HB 5.240 . 5.240 4.208 4.055 4.389 . 0 0 "[ . 1 . 2]" 1
153 1 8 ALA H 1 19 THR MG 3.930 . 3.930 3.805 3.597 3.934 0.004 20 0 "[ . 1 . 2]" 1
154 1 8 ALA HA 1 9 TYR H 2.680 . 2.680 2.183 2.171 2.207 . 0 0 "[ . 1 . 2]" 1
155 1 8 ALA HA 1 9 TYR HB2 4.730 . 4.730 4.689 4.643 4.746 0.016 2 0 "[ . 1 . 2]" 1
156 1 8 ALA HA 1 17 THR H 5.490 . 5.490 4.590 4.544 4.647 . 0 0 "[ . 1 . 2]" 1
157 1 8 ALA HA 1 19 THR MG 4.620 . 4.620 4.572 4.393 4.644 0.024 2 0 "[ . 1 . 2]" 1
158 1 8 ALA MB 1 9 TYR H 3.530 . 3.530 3.003 2.954 3.051 . 0 0 "[ . 1 . 2]" 1
159 1 8 ALA MB 1 9 TYR HB2 5.500 . 5.500 5.086 5.024 5.173 . 0 0 "[ . 1 . 2]" 1
160 1 8 ALA MB 1 16 CYS HA 5.360 . 5.360 4.694 4.665 4.742 . 0 0 "[ . 1 . 2]" 1
161 1 8 ALA MB 1 17 THR H 4.480 . 4.480 3.831 3.731 3.925 . 0 0 "[ . 1 . 2]" 1
162 1 8 ALA MB 1 19 THR HB 4.410 . 4.410 2.347 2.262 2.523 . 0 0 "[ . 1 . 2]" 1
163 1 8 ALA MB 1 19 THR MG 3.130 . 3.130 3.087 3.024 3.151 0.021 18 0 "[ . 1 . 2]" 1
164 1 9 TYR H 1 9 TYR HB2 2.890 . 2.890 2.596 2.553 2.655 . 0 0 "[ . 1 . 2]" 1
165 1 9 TYR H 1 9 TYR HB3 2.970 . 2.970 2.505 2.437 2.556 . 0 0 "[ . 1 . 2]" 1
166 1 9 TYR H 1 9 TYR QD 4.160 . 4.160 4.188 4.181 4.195 0.035 17 0 "[ . 1 . 2]" 1
167 1 9 TYR H 1 10 ASN H 4.890 . 4.890 4.582 4.575 4.591 . 0 0 "[ . 1 . 2]" 1
168 1 9 TYR H 1 16 CYS HA 4.860 . 4.860 4.184 4.147 4.231 . 0 0 "[ . 1 . 2]" 1
169 1 9 TYR H 1 17 THR H 5.190 . 5.190 4.822 4.780 4.866 . 0 0 "[ . 1 . 2]" 1
170 1 9 TYR HA 1 9 TYR QD 3.010 . 3.010 2.132 2.103 2.175 . 0 0 "[ . 1 . 2]" 1
171 1 9 TYR HA 1 9 TYR QE 4.850 . 4.850 4.419 4.386 4.460 . 0 0 "[ . 1 . 2]" 1
172 1 9 TYR HA 1 10 ASN H 2.800 . 2.800 2.179 2.168 2.193 . 0 0 "[ . 1 . 2]" 1
173 1 9 TYR HA 1 15 ILE H 5.500 . 5.500 5.532 5.500 5.551 0.051 10 0 "[ . 1 . 2]" 1
174 1 9 TYR HA 1 16 CYS HA 3.230 . 3.230 2.244 2.226 2.262 . 0 0 "[ . 1 . 2]" 1
175 1 9 TYR HA 1 17 THR H 3.960 . 3.960 3.925 3.890 3.956 . 0 0 "[ . 1 . 2]" 1
176 1 9 TYR HB2 1 16 CYS HA 4.630 . 4.630 4.591 4.554 4.626 . 0 0 "[ . 1 . 2]" 1
177 1 9 TYR HB3 1 11 PRO HD3 4.610 . 4.610 3.761 3.605 3.973 . 0 0 "[ . 1 . 2]" 1
178 1 9 TYR QD 1 10 ASN H 3.860 . 3.860 2.089 1.927 2.218 . 0 0 "[ . 1 . 2]" 1
179 1 9 TYR QD 1 10 ASN HA 4.520 . 4.520 4.432 4.293 4.531 0.011 5 0 "[ . 1 . 2]" 1
180 1 9 TYR QD 1 11 PRO HA 4.790 . 4.790 4.491 4.453 4.548 . 0 0 "[ . 1 . 2]" 1
181 1 9 TYR QD 1 11 PRO HB3 4.340 . 4.340 4.228 4.066 4.353 0.013 10 0 "[ . 1 . 2]" 1
182 1 9 TYR QD 1 11 PRO HD3 3.770 . 3.770 3.238 3.186 3.292 . 0 0 "[ . 1 . 2]" 1
183 1 9 TYR QD 1 11 PRO HG2 5.260 . 5.260 4.608 4.122 5.289 0.029 8 0 "[ . 1 . 2]" 1
184 1 9 TYR QD 1 11 PRO HG3 4.090 . 4.090 3.087 2.568 3.813 . 0 0 "[ . 1 . 2]" 1
185 1 9 TYR QD 1 14 GLY HA2 5.500 . 5.500 5.504 5.479 5.521 0.021 20 0 "[ . 1 . 2]" 1
186 1 9 TYR QD 1 15 ILE HA 5.500 . 5.500 3.351 3.249 3.507 . 0 0 "[ . 1 . 2]" 1
187 1 9 TYR QD 1 16 CYS H 4.670 . 4.670 4.116 4.012 4.235 . 0 0 "[ . 1 . 2]" 1
188 1 9 TYR QD 1 16 CYS HA 3.880 . 3.880 3.468 3.438 3.499 . 0 0 "[ . 1 . 2]" 1
189 1 9 TYR QD 1 16 CYS QB 5.340 . 5.340 4.504 4.435 4.578 . 0 0 "[ . 1 . 2]" 1
190 1 9 TYR QD 1 17 THR H 5.360 . 5.360 5.407 5.388 5.430 0.070 12 0 "[ . 1 . 2]" 1
191 1 9 TYR QE 1 10 ASN H 4.970 . 4.970 3.453 3.382 3.523 . 0 0 "[ . 1 . 2]" 1
192 1 9 TYR QE 1 10 ASN HA 5.380 . 5.380 5.062 4.875 5.207 . 0 0 "[ . 1 . 2]" 1
193 1 9 TYR QE 1 11 PRO HA 3.360 . 3.360 3.121 3.008 3.195 . 0 0 "[ . 1 . 2]" 1
194 1 9 TYR QE 1 11 PRO HB2 4.180 . 4.180 4.094 3.926 4.215 0.035 3 0 "[ . 1 . 2]" 1
195 1 9 TYR QE 1 11 PRO HB3 4.150 . 4.150 2.497 2.284 2.649 . 0 0 "[ . 1 . 2]" 1
196 1 9 TYR QE 1 11 PRO HD3 4.190 . 4.190 3.773 3.542 3.931 . 0 0 "[ . 1 . 2]" 1
197 1 9 TYR QE 1 11 PRO HG2 4.500 . 4.500 4.192 3.945 4.555 0.055 7 0 "[ . 1 . 2]" 1
198 1 9 TYR QE 1 11 PRO HG3 4.210 . 4.210 2.671 2.339 3.170 . 0 0 "[ . 1 . 2]" 1
199 1 9 TYR QE 1 14 GLY H 5.140 . 5.140 4.101 4.004 4.197 . 0 0 "[ . 1 . 2]" 1
200 1 9 TYR QE 1 14 GLY HA2 3.860 . 3.860 3.530 3.493 3.588 . 0 0 "[ . 1 . 2]" 1
201 1 9 TYR QE 1 15 ILE HA 5.030 . 5.030 3.296 3.073 3.602 . 0 0 "[ . 1 . 2]" 1
202 1 9 TYR QE 1 15 ILE MG 5.500 . 5.500 4.600 4.414 4.871 . 0 0 "[ . 1 . 2]" 1
203 1 9 TYR QE 1 16 CYS H 5.500 . 5.500 5.363 5.205 5.558 0.058 18 0 "[ . 1 . 2]" 1
204 1 9 TYR QE 1 16 CYS HA 5.440 . 5.440 5.392 5.338 5.444 0.004 2 0 "[ . 1 . 2]" 1
205 1 10 ASN H 1 10 ASN HB2 3.150 . 3.150 2.641 2.618 2.659 . 0 0 "[ . 1 . 2]" 1
206 1 10 ASN H 1 10 ASN HB3 3.460 . 3.460 2.963 2.938 2.994 . 0 0 "[ . 1 . 2]" 1
207 1 10 ASN H 1 10 ASN HD21 5.080 . 5.080 4.982 4.961 5.004 . 0 0 "[ . 1 . 2]" 1
208 1 10 ASN H 1 11 PRO HD3 4.050 . 4.050 3.681 3.542 3.862 . 0 0 "[ . 1 . 2]" 1
209 1 10 ASN H 1 13 LEU MD2 5.460 . 5.460 4.997 4.957 5.034 . 0 0 "[ . 1 . 2]" 1
210 1 10 ASN H 1 13 LEU HG 5.400 . 5.400 5.309 5.267 5.365 . 0 0 "[ . 1 . 2]" 1
211 1 10 ASN H 1 15 ILE H 3.830 . 3.830 3.707 3.669 3.757 . 0 0 "[ . 1 . 2]" 1
212 1 10 ASN H 1 16 CYS HA 3.730 . 3.730 2.608 2.505 2.683 . 0 0 "[ . 1 . 2]" 1
213 1 10 ASN H 1 17 THR H 4.700 . 4.700 4.127 4.057 4.181 . 0 0 "[ . 1 . 2]" 1
214 1 10 ASN H 1 17 THR MG 4.420 . 4.420 4.219 4.156 4.362 . 0 0 "[ . 1 . 2]" 1
215 1 10 ASN HA 1 10 ASN HD21 4.430 . 4.430 3.551 3.504 3.596 . 0 0 "[ . 1 . 2]" 1
216 1 10 ASN HA 1 10 ASN HD22 5.020 . 5.020 3.937 3.909 3.962 . 0 0 "[ . 1 . 2]" 1
217 1 10 ASN HA 1 11 PRO HD3 2.720 . 2.720 2.364 2.270 2.497 . 0 0 "[ . 1 . 2]" 1
218 1 10 ASN HA 1 12 VAL H 4.570 . 4.570 3.272 3.232 3.316 . 0 0 "[ . 1 . 2]" 1
219 1 10 ASN HB2 1 11 PRO HD3 4.890 . 4.890 4.765 4.658 4.924 0.034 8 0 "[ . 1 . 2]" 1
220 1 10 ASN HB2 1 12 VAL H 5.320 . 5.320 4.700 4.664 4.741 . 0 0 "[ . 1 . 2]" 1
221 1 10 ASN HB2 1 13 LEU H 4.530 . 4.530 4.446 4.402 4.479 . 0 0 "[ . 1 . 2]" 1
222 1 10 ASN HB2 1 13 LEU HB3 4.150 . 4.150 3.611 3.571 3.648 . 0 0 "[ . 1 . 2]" 1
223 1 10 ASN HB2 1 13 LEU MD2 4.130 . 4.130 3.448 3.403 3.480 . 0 0 "[ . 1 . 2]" 1
224 1 10 ASN HB2 1 13 LEU HG 4.510 . 4.510 4.545 4.528 4.567 0.057 10 0 "[ . 1 . 2]" 1
225 1 10 ASN HB2 1 14 GLY H 4.960 . 4.960 4.525 4.493 4.548 . 0 0 "[ . 1 . 2]" 1
226 1 10 ASN HB2 1 15 ILE H 3.960 . 3.960 3.919 3.859 3.967 0.007 15 0 "[ . 1 . 2]" 1
227 1 10 ASN HB2 1 17 THR MG 3.950 . 3.950 2.274 2.241 2.339 . 0 0 "[ . 1 . 2]" 1
228 1 10 ASN HB3 1 10 ASN HD21 3.060 . 3.060 2.341 2.325 2.356 . 0 0 "[ . 1 . 2]" 1
229 1 10 ASN HB3 1 10 ASN HD22 3.660 . 3.660 3.544 3.536 3.549 . 0 0 "[ . 1 . 2]" 1
230 1 10 ASN HB3 1 13 LEU H 4.510 . 4.510 2.821 2.781 2.856 . 0 0 "[ . 1 . 2]" 1
231 1 10 ASN HB3 1 13 LEU HB3 4.550 . 4.550 2.249 2.213 2.273 . 0 0 "[ . 1 . 2]" 1
232 1 10 ASN HB3 1 13 LEU MD2 4.390 . 4.390 3.005 2.954 3.034 . 0 0 "[ . 1 . 2]" 1
233 1 10 ASN HB3 1 13 LEU HG 4.200 . 4.200 3.231 3.202 3.264 . 0 0 "[ . 1 . 2]" 1
234 1 10 ASN HB3 1 14 GLY H 5.450 . 5.450 2.844 2.814 2.865 . 0 0 "[ . 1 . 2]" 1
235 1 10 ASN HB3 1 17 THR MG 3.780 . 3.780 2.939 2.861 3.007 . 0 0 "[ . 1 . 2]" 1
236 1 10 ASN HD21 1 11 PRO HD3 5.290 . 5.290 5.327 5.316 5.342 0.052 4 0 "[ . 1 . 2]" 1
237 1 10 ASN HD21 1 12 VAL H 4.420 . 4.420 2.427 2.367 2.489 . 0 0 "[ . 1 . 2]" 1
238 1 10 ASN HD21 1 12 VAL HB 5.070 . 5.070 2.567 2.548 2.586 . 0 0 "[ . 1 . 2]" 1
239 1 10 ASN HD21 1 12 VAL MG2 5.390 . 5.390 3.708 3.658 3.765 . 0 0 "[ . 1 . 2]" 1
240 1 10 ASN HD21 1 13 LEU H 5.090 . 5.090 1.776 1.765 1.786 0.035 12 0 "[ . 1 . 2]" 1
241 1 10 ASN HD21 1 13 LEU HA 5.320 . 5.320 3.696 3.641 3.751 . 0 0 "[ . 1 . 2]" 1
242 1 10 ASN HD21 1 13 LEU HB2 4.660 . 4.660 3.079 2.998 3.147 . 0 0 "[ . 1 . 2]" 1
243 1 10 ASN HD21 1 13 LEU HB3 4.180 . 4.180 1.855 1.806 1.910 . 0 0 "[ . 1 . 2]" 1
244 1 10 ASN HD21 1 13 LEU MD2 3.970 . 3.970 3.780 3.735 3.830 . 0 0 "[ . 1 . 2]" 1
245 1 10 ASN HD21 1 13 LEU HG 4.590 . 4.590 4.104 4.059 4.152 . 0 0 "[ . 1 . 2]" 1
246 1 10 ASN HD21 1 17 THR MG 3.950 . 3.950 3.862 3.786 3.938 . 0 0 "[ . 1 . 2]" 1
247 1 10 ASN HD22 1 12 VAL HB 4.190 . 4.190 2.291 2.226 2.347 . 0 0 "[ . 1 . 2]" 1
248 1 10 ASN HD22 1 12 VAL MG2 4.740 . 4.740 3.520 3.453 3.584 . 0 0 "[ . 1 . 2]" 1
249 1 10 ASN HD22 1 13 LEU H 4.570 . 4.570 3.359 3.337 3.372 . 0 0 "[ . 1 . 2]" 1
250 1 10 ASN HD22 1 13 LEU HB2 4.400 . 4.400 3.776 3.729 3.823 . 0 0 "[ . 1 . 2]" 1
251 1 10 ASN HD22 1 13 LEU HB3 3.600 . 3.600 3.047 3.022 3.078 . 0 0 "[ . 1 . 2]" 1
252 1 10 ASN HD22 1 13 LEU MD2 4.400 . 4.400 4.378 4.318 4.409 0.009 6 0 "[ . 1 . 2]" 1
253 1 10 ASN HD22 1 17 THR MG 4.460 . 4.460 3.908 3.807 3.988 . 0 0 "[ . 1 . 2]" 1
254 1 11 PRO HA 1 13 LEU H 5.070 . 5.070 4.000 3.939 4.049 . 0 0 "[ . 1 . 2]" 1
255 1 11 PRO HA 1 14 GLY H 3.850 . 3.850 3.734 3.672 3.781 . 0 0 "[ . 1 . 2]" 1
256 1 11 PRO HA 1 14 GLY HA2 3.850 . 3.850 3.838 3.786 3.877 0.027 10 0 "[ . 1 . 2]" 1
257 1 11 PRO HD3 1 12 VAL H 3.920 . 3.920 3.920 3.901 3.932 0.012 10 0 "[ . 1 . 2]" 1
258 1 11 PRO HD3 1 12 VAL MG2 4.380 . 4.380 4.380 4.357 4.392 0.012 14 0 "[ . 1 . 2]" 1
259 1 11 PRO HD3 1 13 LEU H 5.470 . 5.470 5.370 5.334 5.407 . 0 0 "[ . 1 . 2]" 1
260 1 12 VAL H 1 12 VAL HB 2.960 . 2.960 2.617 2.584 2.650 . 0 0 "[ . 1 . 2]" 1
261 1 12 VAL H 1 12 VAL MG1 4.120 . 4.120 3.829 3.820 3.842 . 0 0 "[ . 1 . 2]" 1
262 1 12 VAL H 1 12 VAL MG2 3.170 . 3.170 2.333 2.276 2.399 . 0 0 "[ . 1 . 2]" 1
263 1 12 VAL H 1 13 LEU H 3.000 . 3.000 2.026 2.015 2.040 . 0 0 "[ . 1 . 2]" 1
264 1 12 VAL H 1 13 LEU HB2 5.200 . 5.200 5.147 5.126 5.161 . 0 0 "[ . 1 . 2]" 1
265 1 12 VAL H 1 13 LEU HB3 4.620 . 4.620 3.945 3.926 3.962 . 0 0 "[ . 1 . 2]" 1
266 1 12 VAL H 1 13 LEU HG 5.500 . 5.500 5.560 5.549 5.575 0.075 10 0 "[ . 1 . 2]" 1
267 1 12 VAL H 1 14 GLY H 4.140 . 4.140 3.531 3.494 3.570 . 0 0 "[ . 1 . 2]" 1
268 1 12 VAL HA 1 12 VAL MG1 3.210 . 3.210 2.256 2.231 2.277 . 0 0 "[ . 1 . 2]" 1
269 1 12 VAL HA 1 12 VAL MG2 3.000 . 3.000 2.423 2.382 2.452 . 0 0 "[ . 1 . 2]" 1
270 1 12 VAL HB 1 13 LEU H 3.300 . 3.300 3.119 3.092 3.145 . 0 0 "[ . 1 . 2]" 1
271 1 12 VAL HB 1 14 GLY H 5.190 . 5.190 5.170 5.138 5.204 0.014 7 0 "[ . 1 . 2]" 1
272 1 12 VAL MG1 1 13 LEU H 4.020 . 4.020 3.956 3.923 4.004 . 0 0 "[ . 1 . 2]" 1
273 1 12 VAL MG2 1 13 LEU H 4.390 . 4.390 3.841 3.804 3.892 . 0 0 "[ . 1 . 2]" 1
274 1 13 LEU H 1 13 LEU HB2 3.460 . 3.460 3.437 3.424 3.463 0.003 6 0 "[ . 1 . 2]" 1
275 1 13 LEU H 1 13 LEU HB3 3.120 . 3.120 2.355 2.337 2.378 . 0 0 "[ . 1 . 2]" 1
276 1 13 LEU H 1 13 LEU MD1 4.270 . 4.270 4.198 4.187 4.213 . 0 0 "[ . 1 . 2]" 1
277 1 13 LEU H 1 13 LEU MD2 5.400 . 5.400 4.275 4.260 4.294 . 0 0 "[ . 1 . 2]" 1
278 1 13 LEU H 1 13 LEU HG 3.850 . 3.850 3.724 3.702 3.739 . 0 0 "[ . 1 . 2]" 1
279 1 13 LEU H 1 14 GLY H 2.980 . 2.980 2.054 2.034 2.083 . 0 0 "[ . 1 . 2]" 1
280 1 13 LEU H 1 14 GLY HA2 5.200 . 5.200 4.242 4.207 4.269 . 0 0 "[ . 1 . 2]" 1
281 1 13 LEU HA 1 13 LEU MD1 2.700 . 2.700 2.269 2.254 2.289 . 0 0 "[ . 1 . 2]" 1
282 1 13 LEU HA 1 13 LEU HG 4.010 . 4.010 3.546 3.535 3.566 . 0 0 "[ . 1 . 2]" 1
283 1 13 LEU HB2 1 13 LEU MD1 3.610 . 3.610 2.360 2.352 2.371 . 0 0 "[ . 1 . 2]" 1
284 1 13 LEU HB2 1 13 LEU MD2 3.220 . 3.220 2.345 2.311 2.356 . 0 0 "[ . 1 . 2]" 1
285 1 13 LEU HB3 1 13 LEU MD2 2.530 . 2.530 2.383 2.376 2.392 . 0 0 "[ . 1 . 2]" 1
286 1 13 LEU HB3 1 13 LEU HG 2.610 . 2.610 2.460 2.454 2.465 . 0 0 "[ . 1 . 2]" 1
287 1 13 LEU HB3 1 14 GLY H 4.010 . 4.010 2.967 2.936 2.992 . 0 0 "[ . 1 . 2]" 1
288 1 13 LEU HB3 1 15 ILE H 4.170 . 4.170 3.368 3.345 3.395 . 0 0 "[ . 1 . 2]" 1
289 1 13 LEU MD2 1 14 GLY H 4.920 . 4.920 4.053 4.008 4.089 . 0 0 "[ . 1 . 2]" 1
290 1 13 LEU HG 1 14 GLY H 3.830 . 3.830 2.723 2.665 2.769 . 0 0 "[ . 1 . 2]" 1
291 1 13 LEU HG 1 15 ILE H 3.730 . 3.730 1.992 1.923 2.067 . 0 0 "[ . 1 . 2]" 1
292 1 14 GLY H 1 15 ILE H 3.100 . 3.100 2.098 2.040 2.152 . 0 0 "[ . 1 . 2]" 1
293 1 14 GLY H 1 15 ILE QG 5.340 . 5.340 4.012 3.930 4.070 . 0 0 "[ . 1 . 2]" 1
294 1 14 GLY H 1 15 ILE MG 4.610 . 4.610 4.519 4.486 4.556 . 0 0 "[ . 1 . 2]" 1
295 1 14 GLY H 1 17 THR MG 5.500 . 5.500 4.983 4.946 5.035 . 0 0 "[ . 1 . 2]" 1
296 1 15 ILE H 1 15 ILE MD 4.070 . 4.070 4.086 4.062 4.103 0.033 20 0 "[ . 1 . 2]" 1
297 1 15 ILE H 1 15 ILE QG 3.590 . 3.590 2.397 2.364 2.418 . 0 0 "[ . 1 . 2]" 1
298 1 15 ILE H 1 15 ILE MG 3.490 . 3.490 3.160 3.124 3.211 . 0 0 "[ . 1 . 2]" 1
299 1 15 ILE H 1 16 CYS H 4.480 . 4.480 4.350 4.325 4.373 . 0 0 "[ . 1 . 2]" 1
300 1 15 ILE HB 1 15 ILE MD 3.000 . 3.000 2.182 2.176 2.188 . 0 0 "[ . 1 . 2]" 1
301 1 15 ILE HB 1 16 CYS H 3.020 . 3.020 1.906 1.865 1.954 . 0 0 "[ . 1 . 2]" 1
302 1 15 ILE MD 1 16 CYS H 3.830 . 3.830 3.191 3.131 3.286 . 0 0 "[ . 1 . 2]" 1
303 1 15 ILE MD 1 17 THR H 5.060 . 5.060 5.086 5.076 5.096 0.036 9 0 "[ . 1 . 2]" 1
304 1 15 ILE QG 1 15 ILE MG 3.070 . 3.070 2.070 2.059 2.088 . 0 0 "[ . 1 . 2]" 1
305 1 15 ILE QG 1 16 CYS H 4.060 . 4.060 3.287 3.237 3.349 . 0 0 "[ . 1 . 2]" 1
306 1 15 ILE MG 1 16 CYS H 4.100 . 4.100 3.518 3.489 3.543 . 0 0 "[ . 1 . 2]" 1
307 1 16 CYS H 1 16 CYS HB2 3.700 . 3.700 2.617 2.591 2.717 . 0 0 "[ . 1 . 2]" 1
308 1 16 CYS H 1 16 CYS QB 2.960 . 2.960 2.561 2.536 2.645 . 0 0 "[ . 1 . 2]" 1
309 1 16 CYS H 1 16 CYS HB3 3.700 . 3.700 3.629 3.612 3.642 . 0 0 "[ . 1 . 2]" 1
310 1 16 CYS H 1 17 THR H 4.750 . 4.750 4.527 4.507 4.541 . 0 0 "[ . 1 . 2]" 1
311 1 16 CYS HA 1 17 THR H 2.750 . 2.750 2.171 2.152 2.188 . 0 0 "[ . 1 . 2]" 1
312 1 16 CYS HA 1 17 THR MG 4.450 . 4.450 3.434 3.357 3.630 . 0 0 "[ . 1 . 2]" 1
313 1 16 CYS QB 1 17 THR H 3.580 . 3.580 2.898 2.871 2.949 . 0 0 "[ . 1 . 2]" 1
314 1 16 CYS HB2 1 17 THR H 4.310 . 4.310 3.853 3.810 3.880 . 0 0 "[ . 1 . 2]" 1
315 1 16 CYS HB3 1 17 THR H 4.310 . 4.310 2.996 2.965 3.071 . 0 0 "[ . 1 . 2]" 1
316 1 17 THR H 1 17 THR HB 4.020 . 4.020 3.816 3.804 3.829 . 0 0 "[ . 1 . 2]" 1
317 1 17 THR H 1 17 THR MG 3.690 . 3.690 2.806 2.745 2.965 . 0 0 "[ . 1 . 2]" 1
318 1 17 THR H 1 18 ILE H 5.190 . 5.190 4.461 4.446 4.478 . 0 0 "[ . 1 . 2]" 1
319 1 17 THR HA 1 17 THR MG 3.360 . 3.360 2.369 2.269 2.407 . 0 0 "[ . 1 . 2]" 1
320 1 17 THR HA 1 18 ILE H 2.990 . 2.990 2.302 2.275 2.340 . 0 0 "[ . 1 . 2]" 1
321 1 17 THR HB 1 18 ILE H 3.760 . 3.760 2.696 2.610 2.764 . 0 0 "[ . 1 . 2]" 1
322 1 17 THR MG 1 18 ILE H 4.090 . 4.090 3.806 3.768 3.843 . 0 0 "[ . 1 . 2]" 1
323 1 18 ILE H 1 18 ILE HB 2.900 . 2.900 2.278 2.229 2.330 . 0 0 "[ . 1 . 2]" 1
324 1 18 ILE H 1 18 ILE MD 4.110 . 4.110 4.113 4.052 4.130 0.020 6 0 "[ . 1 . 2]" 1
325 1 18 ILE H 1 18 ILE HG12 4.610 . 4.610 4.558 4.518 4.607 . 0 0 "[ . 1 . 2]" 1
326 1 18 ILE H 1 18 ILE QG 3.840 . 3.840 3.896 3.869 3.912 0.072 19 0 "[ . 1 . 2]" 1
327 1 18 ILE H 1 18 ILE HG13 4.610 . 4.610 4.230 4.180 4.263 . 0 0 "[ . 1 . 2]" 1
328 1 18 ILE H 1 18 ILE MG 3.040 . 3.040 2.413 2.273 2.551 . 0 0 "[ . 1 . 2]" 1
329 1 18 ILE H 1 19 THR H 4.860 . 4.860 4.563 4.541 4.599 . 0 0 "[ . 1 . 2]" 1
330 1 18 ILE HA 1 18 ILE MD 3.940 . 3.940 3.552 3.462 3.640 . 0 0 "[ . 1 . 2]" 1
331 1 18 ILE HA 1 18 ILE HG12 4.100 . 4.100 3.116 2.959 3.208 . 0 0 "[ . 1 . 2]" 1
332 1 18 ILE HA 1 18 ILE QG 3.440 . 3.440 2.166 2.131 2.183 . 0 0 "[ . 1 . 2]" 1
333 1 18 ILE HA 1 18 ILE HG13 4.100 . 4.100 2.211 2.164 2.242 . 0 0 "[ . 1 . 2]" 1
334 1 18 ILE HA 1 18 ILE MG 3.560 . 3.560 3.159 3.149 3.165 . 0 0 "[ . 1 . 2]" 1
335 1 18 ILE HA 1 19 THR H 2.790 . 2.790 2.168 2.142 2.212 . 0 0 "[ . 1 . 2]" 1
336 1 18 ILE HA 1 19 THR HA 4.820 . 4.820 4.363 4.340 4.381 . 0 0 "[ . 1 . 2]" 1
337 1 18 ILE HA 1 19 THR HB 4.840 . 4.840 4.838 4.796 4.873 0.033 2 0 "[ . 1 . 2]" 1
338 1 18 ILE HA 1 19 THR MG 4.250 . 4.250 3.391 3.348 3.458 . 0 0 "[ . 1 . 2]" 1
339 1 18 ILE HB 1 18 ILE MD 3.260 . 3.260 2.195 2.155 2.232 . 0 0 "[ . 1 . 2]" 1
340 1 18 ILE HB 1 19 THR H 4.360 . 4.360 4.294 4.199 4.320 . 0 0 "[ . 1 . 2]" 1
341 1 18 ILE MD 1 18 ILE MG 2.400 . 2.400 2.198 2.056 2.389 . 0 0 "[ . 1 . 2]" 1
342 1 18 ILE MD 1 19 THR H 4.310 . 4.310 4.299 4.112 4.338 0.028 14 0 "[ . 1 . 2]" 1
343 1 18 ILE MD 1 22 ARG HB2 4.310 . 4.310 3.395 2.557 4.204 . 0 0 "[ . 1 . 2]" 1
344 1 18 ILE MD 1 22 ARG QB 3.690 . 3.690 2.776 2.150 3.241 . 0 0 "[ . 1 . 2]" 1
345 1 18 ILE MD 1 22 ARG HB3 4.310 . 4.310 3.053 2.264 3.636 . 0 0 "[ . 1 . 2]" 1
346 1 18 ILE MD 1 22 ARG QD 4.340 . 4.340 2.358 1.901 3.360 . 0 0 "[ . 1 . 2]" 1
347 1 18 ILE MD 1 22 ARG QG 3.810 . 3.810 2.592 2.077 3.727 . 0 0 "[ . 1 . 2]" 1
348 1 18 ILE QG 1 18 ILE MG 3.330 . 3.330 2.070 2.016 2.127 . 0 0 "[ . 1 . 2]" 1
349 1 18 ILE QG 1 22 ARG QD 4.600 . 4.600 2.709 2.159 3.842 . 0 0 "[ . 1 . 2]" 1
350 1 18 ILE HG12 1 19 THR H 3.890 . 3.890 3.075 2.860 3.230 . 0 0 "[ . 1 . 2]" 1
351 1 18 ILE HG13 1 19 THR H 3.890 . 3.890 2.818 2.580 3.033 . 0 0 "[ . 1 . 2]" 1
352 1 18 ILE MG 1 19 THR H 3.980 . 3.980 3.644 3.531 3.746 . 0 0 "[ . 1 . 2]" 1
353 1 18 ILE MG 1 20 LEU H 5.120 . 5.120 4.942 4.487 5.127 0.007 4 0 "[ . 1 . 2]" 1
354 1 18 ILE MG 1 20 LEU HA 4.770 . 4.770 4.466 3.987 4.764 . 0 0 "[ . 1 . 2]" 1
355 1 18 ILE MG 1 22 ARG QB 3.880 . 3.880 3.870 3.582 3.939 0.059 7 0 "[ . 1 . 2]" 1
356 1 18 ILE MG 1 22 ARG QD 4.890 . 4.890 4.444 3.340 4.937 0.047 9 0 "[ . 1 . 2]" 1
357 1 19 THR H 1 19 THR HB 3.700 . 3.700 3.084 3.034 3.175 . 0 0 "[ . 1 . 2]" 1
358 1 19 THR H 1 19 THR MG 3.590 . 3.590 1.788 1.766 1.809 0.034 2 0 "[ . 1 . 2]" 1
359 1 19 THR H 1 20 LEU H 4.590 . 4.590 4.582 4.536 4.599 0.009 20 0 "[ . 1 . 2]" 1
360 1 19 THR H 1 22 ARG HB2 4.990 . 4.990 3.794 3.270 4.995 0.005 4 0 "[ . 1 . 2]" 1
361 1 19 THR H 1 22 ARG QB 4.180 . 4.180 3.487 3.171 3.930 . 0 0 "[ . 1 . 2]" 1
362 1 19 THR H 1 22 ARG HB3 4.990 . 4.990 4.391 3.362 5.026 0.036 3 0 "[ . 1 . 2]" 1
363 1 19 THR HA 1 19 THR MG 3.330 . 3.330 3.146 3.140 3.154 . 0 0 "[ . 1 . 2]" 1
364 1 19 THR HA 1 20 LEU H 2.670 . 2.670 2.357 2.216 2.464 . 0 0 "[ . 1 . 2]" 1
365 1 19 THR HB 1 20 LEU H 3.820 . 3.820 3.587 3.426 3.773 . 0 0 "[ . 1 . 2]" 1
366 1 19 THR HB 1 20 LEU QB 5.340 . 5.340 5.286 5.097 5.366 0.026 5 0 "[ . 1 . 2]" 1
367 1 19 THR HB 1 21 SER H 4.070 . 4.070 4.040 3.911 4.113 0.043 12 0 "[ . 1 . 2]" 1
368 1 19 THR MG 1 20 LEU H 4.490 . 4.490 3.905 3.736 4.150 . 0 0 "[ . 1 . 2]" 1
369 1 19 THR MG 1 21 SER H 4.200 . 4.200 3.132 2.573 3.626 . 0 0 "[ . 1 . 2]" 1
370 1 19 THR MG 1 21 SER QB 4.720 . 4.720 2.788 2.203 3.913 . 0 0 "[ . 1 . 2]" 1
371 1 19 THR MG 1 22 ARG H 3.930 . 3.930 2.777 2.460 3.464 . 0 0 "[ . 1 . 2]" 1
372 1 20 LEU H 1 20 LEU HB2 3.470 . 3.470 2.280 2.075 2.523 . 0 0 "[ . 1 . 2]" 1
373 1 20 LEU H 1 20 LEU QB 2.810 . 2.810 2.205 2.054 2.327 . 0 0 "[ . 1 . 2]" 1
374 1 20 LEU H 1 20 LEU HB3 3.470 . 3.470 3.232 2.534 3.536 0.066 4 0 "[ . 1 . 2]" 1
375 1 20 LEU H 1 20 LEU MD1 4.210 . 4.210 3.509 1.938 4.212 0.002 3 0 "[ . 1 . 2]" 1
376 1 20 LEU H 1 20 LEU QD 3.680 . 3.680 2.736 1.831 3.724 0.044 7 0 "[ . 1 . 2]" 1
377 1 20 LEU H 1 20 LEU MD2 4.210 . 4.210 3.322 1.834 4.240 0.030 5 0 "[ . 1 . 2]" 1
378 1 20 LEU HA 1 20 LEU MD1 3.580 . 3.580 2.804 2.072 3.729 0.149 4 0 "[ . 1 . 2]" 1
379 1 20 LEU HA 1 20 LEU QD 3.000 . 3.000 2.287 1.927 3.001 0.001 10 0 "[ . 1 . 2]" 1
380 1 20 LEU HA 1 20 LEU MD2 3.580 . 3.580 2.820 2.076 3.739 0.159 8 0 "[ . 1 . 2]" 1
381 1 20 LEU HA 1 21 SER H 3.540 . 3.540 3.433 3.112 3.496 . 0 0 "[ . 1 . 2]" 1
382 1 20 LEU QB 1 21 SER H 3.430 . 3.430 2.944 2.709 3.529 0.099 13 0 "[ . 1 . 2]" 1
383 1 20 LEU HB2 1 20 LEU MD1 3.500 . 3.500 2.528 2.132 3.201 . 0 0 "[ . 1 . 2]" 1
384 1 20 LEU HB2 1 20 LEU MD2 3.500 . 3.500 2.696 2.245 3.205 . 0 0 "[ . 1 . 2]" 1
385 1 20 LEU HB2 1 21 SER H 4.230 . 4.230 3.407 2.929 4.014 . 0 0 "[ . 1 . 2]" 1
386 1 20 LEU HB3 1 20 LEU MD1 3.500 . 3.500 2.603 2.217 3.206 . 0 0 "[ . 1 . 2]" 1
387 1 20 LEU HB3 1 21 SER H 4.230 . 4.230 3.478 2.760 3.962 . 0 0 "[ . 1 . 2]" 1
388 1 20 LEU QD 1 21 SER H 4.160 . 4.160 3.818 3.203 4.225 0.065 11 0 "[ . 1 . 2]" 1
389 1 20 LEU QD 1 23 ILE H 5.010 . 5.010 4.245 3.579 4.938 . 0 0 "[ . 1 . 2]" 1
390 1 20 LEU MD1 1 21 SER H 4.870 . 4.870 4.626 3.998 4.932 0.062 10 0 "[ . 1 . 2]" 1
391 1 20 LEU MD2 1 21 SER H 4.870 . 4.870 4.237 3.245 4.912 0.042 19 0 "[ . 1 . 2]" 1
392 1 21 SER H 1 21 SER QB 2.990 . 2.990 2.391 2.257 2.482 . 0 0 "[ . 1 . 2]" 1
393 1 21 SER H 1 22 ARG H 3.290 . 3.290 2.682 2.339 2.841 . 0 0 "[ . 1 . 2]" 1
394 1 21 SER H 1 23 ILE H 4.360 . 4.360 4.281 3.729 4.403 0.043 16 0 "[ . 1 . 2]" 1
395 1 21 SER HA 1 22 ARG H 3.640 . 3.640 3.478 3.161 3.554 . 0 0 "[ . 1 . 2]" 1
396 1 21 SER HA 1 25 HIS HD2 4.200 . 4.200 3.389 2.341 4.256 0.056 15 0 "[ . 1 . 2]" 1
397 1 21 SER QB 1 22 ARG H 3.810 . 3.810 3.087 2.466 3.685 . 0 0 "[ . 1 . 2]" 1
398 1 21 SER QB 1 23 ILE H 5.340 . 5.340 4.788 4.387 5.140 . 0 0 "[ . 1 . 2]" 1
399 1 22 ARG H 1 22 ARG QB 2.860 . 2.860 2.282 2.197 2.659 . 0 0 "[ . 1 . 2]" 1
400 1 22 ARG H 1 22 ARG QD 5.340 . 5.340 4.321 3.789 4.837 . 0 0 "[ . 1 . 2]" 1
401 1 22 ARG H 1 22 ARG QG 4.440 . 4.440 3.868 2.400 4.124 . 0 0 "[ . 1 . 2]" 1
402 1 22 ARG H 1 23 ILE H 3.200 . 3.200 2.664 1.772 2.927 0.028 13 0 "[ . 1 . 2]" 1
403 1 22 ARG H 1 23 ILE MD 5.500 . 5.500 4.928 4.131 5.550 0.050 15 0 "[ . 1 . 2]" 1
404 1 22 ARG HA 1 22 ARG QD 4.620 . 4.620 3.523 2.217 4.107 . 0 0 "[ . 1 . 2]" 1
405 1 22 ARG HA 1 22 ARG HE 5.500 . 5.500 4.472 2.076 5.527 0.027 19 0 "[ . 1 . 2]" 1
406 1 22 ARG HA 1 22 ARG QG 3.320 . 3.320 2.420 2.147 3.349 0.029 4 0 "[ . 1 . 2]" 1
407 1 22 ARG HA 1 23 ILE H 3.900 . 3.900 3.487 2.939 3.544 . 0 0 "[ . 1 . 2]" 1
408 1 22 ARG QB 1 22 ARG HE 4.350 . 4.350 3.500 2.173 4.188 . 0 0 "[ . 1 . 2]" 1
409 1 22 ARG QB 1 23 ILE H 4.200 . 4.200 2.802 2.568 3.794 . 0 0 "[ . 1 . 2]" 1
410 1 22 ARG HE 1 22 ARG QG 3.520 . 3.520 2.473 2.174 3.200 . 0 0 "[ . 1 . 2]" 1
411 1 22 ARG QG 1 23 ILE H 4.360 . 4.360 3.852 2.097 4.389 0.029 18 0 "[ . 1 . 2]" 1
412 1 23 ILE H 1 23 ILE HB 3.120 . 3.120 2.591 2.414 2.790 . 0 0 "[ . 1 . 2]" 1
413 1 23 ILE H 1 23 ILE MD 4.690 . 4.690 3.291 2.683 4.064 . 0 0 "[ . 1 . 2]" 1
414 1 23 ILE H 1 23 ILE HG12 3.860 . 3.860 2.852 1.828 3.902 0.042 10 0 "[ . 1 . 2]" 1
415 1 23 ILE H 1 23 ILE QG 3.300 . 3.300 2.107 1.821 2.734 . 0 0 "[ . 1 . 2]" 1
416 1 23 ILE H 1 23 ILE HG13 3.860 . 3.860 2.817 1.914 3.580 . 0 0 "[ . 1 . 2]" 1
417 1 23 ILE H 1 23 ILE MG 4.310 . 4.310 3.776 3.743 3.903 . 0 0 "[ . 1 . 2]" 1
418 1 23 ILE H 1 24 GLU H 3.890 . 3.890 3.299 1.801 3.757 . 0 0 "[ . 1 . 2]" 1
419 1 23 ILE HA 1 23 ILE MG 3.190 . 3.190 2.303 2.219 2.390 . 0 0 "[ . 1 . 2]" 1
420 1 23 ILE HA 1 24 GLU H 3.410 . 3.410 3.364 2.488 3.508 0.098 20 0 "[ . 1 . 2]" 1
421 1 23 ILE HB 1 23 ILE MD 3.520 . 3.520 2.701 2.239 3.230 . 0 0 "[ . 1 . 2]" 1
422 1 23 ILE QG 1 23 ILE MG 3.090 . 3.090 2.235 2.126 2.286 . 0 0 "[ . 1 . 2]" 1
423 1 23 ILE QG 1 24 GLU H 4.820 . 4.820 3.855 3.599 4.459 . 0 0 "[ . 1 . 2]" 1
424 1 23 ILE HG12 1 24 GLU H 5.500 . 5.500 4.381 3.915 5.084 . 0 0 "[ . 1 . 2]" 1
425 1 23 ILE HG13 1 24 GLU H 5.500 . 5.500 4.319 4.093 4.938 . 0 0 "[ . 1 . 2]" 1
426 1 23 ILE MG 1 24 GLU H 3.670 . 3.670 2.542 1.793 3.730 0.060 8 0 "[ . 1 . 2]" 1
427 1 23 ILE MG 1 25 HIS HE1 5.200 . 5.200 5.072 4.153 5.232 0.032 20 0 "[ . 1 . 2]" 1
428 1 24 GLU H 1 24 GLU QB 3.520 . 3.520 2.668 2.388 2.849 . 0 0 "[ . 1 . 2]" 1
429 1 24 GLU H 1 24 GLU HG2 4.170 . 4.170 4.032 2.903 4.207 0.037 18 0 "[ . 1 . 2]" 1
430 1 24 GLU H 1 24 GLU QG 3.370 . 3.370 3.082 2.705 3.365 . 0 0 "[ . 1 . 2]" 1
431 1 24 GLU H 1 24 GLU HG3 4.170 . 4.170 3.305 2.757 4.202 0.032 4 0 "[ . 1 . 2]" 1
432 1 24 GLU HA 1 25 HIS HD2 5.420 . 5.420 4.759 3.675 5.489 0.069 13 0 "[ . 1 . 2]" 1
433 1 24 GLU QB 1 25 HIS H 4.190 . 4.190 3.388 1.747 3.935 0.053 14 0 "[ . 1 . 2]" 1
434 1 24 GLU QB 1 25 HIS HD2 4.190 . 4.190 3.911 2.805 4.261 0.071 10 0 "[ . 1 . 2]" 1
435 1 24 GLU QB 1 25 HIS HE1 5.160 . 5.160 4.533 2.554 5.273 0.113 10 0 "[ . 1 . 2]" 1
436 1 25 HIS H 1 25 HIS QB 3.640 . 3.640 3.010 2.666 3.446 . 0 0 "[ . 1 . 2]" 1
437 1 25 HIS H 1 25 HIS HD2 4.910 . 4.910 3.651 1.915 4.879 . 0 0 "[ . 1 . 2]" 1
438 1 25 HIS H 1 26 PRO QD 4.090 . 4.090 2.743 1.936 4.193 0.103 16 0 "[ . 1 . 2]" 1
439 1 25 HIS HA 1 25 HIS HD2 4.630 . 4.630 4.328 3.885 4.669 0.039 20 0 "[ . 1 . 2]" 1
440 1 25 HIS HA 1 26 PRO HD2 3.260 . 3.260 2.415 2.225 2.790 . 0 0 "[ . 1 . 2]" 1
441 1 25 HIS HA 1 26 PRO HD3 3.260 . 3.260 2.858 2.253 3.289 0.029 18 0 "[ . 1 . 2]" 1
442 1 25 HIS HA 1 27 GLY H 5.060 . 5.060 3.475 3.087 4.402 . 0 0 "[ . 1 . 2]" 1
443 1 25 HIS QB 1 26 PRO QD 4.400 . 4.400 3.572 2.201 3.886 . 0 0 "[ . 1 . 2]" 1
444 1 25 HIS QB 1 27 GLY H 5.160 . 5.160 3.888 2.764 4.507 . 0 0 "[ . 1 . 2]" 1
445 1 25 HIS QB 1 28 ASN H 4.850 . 4.850 3.157 2.600 3.709 . 0 0 "[ . 1 . 2]" 1
446 1 25 HIS QB 1 28 ASN QD 4.600 . 4.600 3.623 1.811 4.619 0.019 12 0 "[ . 1 . 2]" 1
447 1 25 HIS QB 1 29 TYR QD 5.340 . 5.340 4.304 2.334 5.349 0.009 15 0 "[ . 1 . 2]" 1
448 1 25 HIS QB 1 29 TYR QE 4.640 . 4.640 3.888 2.499 4.695 0.055 14 0 "[ . 1 . 2]" 1
449 1 26 PRO HA 1 28 ASN H 4.810 . 4.810 4.136 3.563 4.526 . 0 0 "[ . 1 . 2]" 1
450 1 26 PRO QB 1 27 GLY H 3.840 . 3.840 3.056 2.578 3.561 . 0 0 "[ . 1 . 2]" 1
451 1 26 PRO QB 1 28 ASN H 5.270 . 5.270 4.844 4.537 5.092 . 0 0 "[ . 1 . 2]" 1
452 1 26 PRO HB2 1 27 GLY H 4.630 . 4.630 3.161 2.612 3.770 . 0 0 "[ . 1 . 2]" 1
453 1 26 PRO HB3 1 27 GLY H 4.630 . 4.630 4.159 3.956 4.377 . 0 0 "[ . 1 . 2]" 1
454 1 26 PRO QD 1 27 GLY H 4.310 . 4.310 2.700 2.474 3.083 . 0 0 "[ . 1 . 2]" 1
455 1 26 PRO QG 1 27 GLY H 3.770 . 3.770 3.097 2.135 3.823 0.053 14 0 "[ . 1 . 2]" 1
456 1 27 GLY H 1 28 ASN H 3.920 . 3.920 2.674 2.520 2.765 . 0 0 "[ . 1 . 2]" 1
457 1 27 GLY QA 1 28 ASN H 2.990 . 2.990 2.764 2.681 2.898 . 0 0 "[ . 1 . 2]" 1
458 1 27 GLY QA 1 29 TYR H 4.600 . 4.600 3.861 3.280 4.405 . 0 0 "[ . 1 . 2]" 1
459 1 28 ASN H 1 28 ASN QB 3.310 . 3.310 2.599 2.238 3.327 0.017 11 0 "[ . 1 . 2]" 1
460 1 28 ASN H 1 29 TYR H 2.990 . 2.990 2.686 2.312 2.983 . 0 0 "[ . 1 . 2]" 1
461 1 28 ASN H 1 29 TYR QD 4.770 . 4.770 4.079 2.889 4.784 0.014 3 0 "[ . 1 . 2]" 1
462 1 28 ASN H 1 29 TYR QE 5.260 . 5.260 4.879 2.668 5.292 0.032 20 0 "[ . 1 . 2]" 1
463 1 28 ASN HA 1 29 TYR H 3.510 . 3.510 3.256 2.512 3.542 0.032 16 0 "[ . 1 . 2]" 1
464 1 28 ASN QB 1 29 TYR QD 4.690 . 4.690 3.000 2.241 4.254 . 0 0 "[ . 1 . 2]" 1
465 1 28 ASN QB 1 29 TYR QE 5.030 . 5.030 3.768 2.407 5.122 0.092 13 0 "[ . 1 . 2]" 1
466 1 29 TYR H 1 29 TYR QB 3.370 . 3.370 2.890 2.395 3.387 0.017 3 0 "[ . 1 . 2]" 1
467 1 29 TYR H 1 29 TYR QD 4.000 . 4.000 2.681 2.093 3.336 . 0 0 "[ . 1 . 2]" 1
468 1 29 TYR H 1 30 ASP H 3.410 . 3.410 2.729 1.775 3.428 0.025 16 0 "[ . 1 . 2]" 1
469 1 29 TYR H 1 30 ASP QB 5.280 . 5.280 4.671 3.699 5.293 0.013 8 0 "[ . 1 . 2]" 1
470 1 29 TYR HA 1 29 TYR QD 3.730 . 3.730 3.066 2.334 3.674 . 0 0 "[ . 1 . 2]" 1
471 1 29 TYR HA 1 29 TYR QE 5.500 . 5.500 4.876 4.359 5.572 0.072 1 0 "[ . 1 . 2]" 1
472 1 29 TYR HA 1 30 ASP H 3.360 . 3.360 3.016 2.447 3.459 0.099 16 0 "[ . 1 . 2]" 1
473 1 29 TYR QD 1 31 TYR QB 5.300 . 5.300 4.781 3.950 5.317 0.017 4 0 "[ . 1 . 2]" 1
474 1 30 ASP H 1 30 ASP HB2 3.860 . 3.860 3.073 2.384 3.659 . 0 0 "[ . 1 . 2]" 1
475 1 30 ASP H 1 30 ASP QB 3.370 . 3.370 2.696 2.252 3.262 . 0 0 "[ . 1 . 2]" 1
476 1 30 ASP H 1 30 ASP HB3 3.860 . 3.860 3.204 2.480 3.941 0.081 17 0 "[ . 1 . 2]" 1
477 1 30 ASP H 1 31 TYR H 4.160 . 4.160 2.866 2.470 3.921 . 0 0 "[ . 1 . 2]" 1
478 1 30 ASP HB2 1 31 TYR H 5.490 . 5.490 4.287 2.663 4.684 . 0 0 "[ . 1 . 2]" 1
479 1 30 ASP HB3 1 31 TYR H 5.490 . 5.490 4.009 2.521 4.468 . 0 0 "[ . 1 . 2]" 1
480 1 31 TYR H 1 31 TYR QD 5.260 . 5.260 3.869 2.055 4.442 . 0 0 "[ . 1 . 2]" 1
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