NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
369774 |
1bgk   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bgk
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 547
_Distance_constraint_stats_list.Viol_count 715
_Distance_constraint_stats_list.Viol_total 823.796
_Distance_constraint_stats_list.Viol_max 1.386
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0768
_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 VAL 0.019 0.009 12 0 "[ . 1 .]"
1 2 CYS 0.938 0.110 12 0 "[ . 1 .]"
1 3 ARG 1.092 0.110 12 0 "[ . 1 .]"
1 4 ASP 0.500 0.070 3 0 "[ . 1 .]"
1 5 TRP 3.080 0.180 6 0 "[ . 1 .]"
1 6 PHE 4.178 0.180 6 0 "[ . 1 .]"
1 7 LYS 0.946 0.116 4 0 "[ . 1 .]"
1 8 GLU 0.840 0.116 4 0 "[ . 1 .]"
1 9 THR 1.225 0.082 15 0 "[ . 1 .]"
1 10 ALA 2.644 0.161 14 0 "[ . 1 .]"
1 11 CYS 0.669 0.063 12 0 "[ . 1 .]"
1 12 ARG 0.226 0.064 14 0 "[ . 1 .]"
1 13 HIS 1.107 0.229 6 0 "[ . 1 .]"
1 14 ALA 5.327 0.308 15 0 "[ . 1 .]"
1 15 LYS 6.059 0.238 6 0 "[ . 1 .]"
1 16 SER 3.246 0.225 13 0 "[ . 1 .]"
1 17 LEU 3.734 0.261 6 0 "[ . 1 .]"
1 18 GLY 2.282 0.220 13 0 "[ . 1 .]"
1 19 ASN 11.685 0.308 15 0 "[ . 1 .]"
1 20 CYS 1.811 0.209 15 0 "[ . 1 .]"
1 21 ARG 6.270 1.386 12 6 "[** . * +*-.]"
1 22 THR 1.471 0.136 13 0 "[ . 1 .]"
1 23 SER 2.082 0.195 13 0 "[ . 1 .]"
1 24 GLN 0.057 0.031 14 0 "[ . 1 .]"
1 25 LYS 0.389 0.069 11 0 "[ . 1 .]"
1 26 TYR 0.386 0.092 10 0 "[ . 1 .]"
1 27 ARG 5.966 1.386 12 6 "[** . * +*-.]"
1 28 ALA 0.165 0.069 11 0 "[ . 1 .]"
1 29 ASN 0.164 0.098 12 0 "[ . 1 .]"
1 30 CYS 1.211 0.120 3 0 "[ . 1 .]"
1 31 ALA 6.028 0.157 7 0 "[ . 1 .]"
1 32 LYS 0.404 0.053 13 0 "[ . 1 .]"
1 33 THR 4.081 0.238 6 0 "[ . 1 .]"
1 34 CYS 6.507 0.202 3 0 "[ . 1 .]"
1 35 GLU 2.049 0.202 3 0 "[ . 1 .]"
1 36 LEU 11.138 0.200 10 0 "[ . 1 .]"
1 37 CYS 1.052 0.140 7 0 "[ . 1 .]"
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 VAL HA 1 1 VAL HB 3.150 2.360 3.930 2.711 2.353 3.034 0.007 12 0 "[ . 1 .]" 1
2 1 1 VAL HA 1 2 CYS H 2.440 . 3.050 2.303 2.185 2.776 . 0 0 "[ . 1 .]" 1
3 1 1 VAL HB 1 2 CYS H 3.490 2.620 4.360 4.050 2.641 4.369 0.009 12 0 "[ . 1 .]" 1
4 1 1 VAL QG 1 2 CYS H 5.030 . 6.290 2.629 1.918 3.761 . 0 0 "[ . 1 .]" 1
5 1 1 VAL QG 1 3 ARG H 5.460 . 6.820 4.669 4.249 4.976 . 0 0 "[ . 1 .]" 1
6 1 1 VAL QG 1 3 ARG QD 5.620 . 7.020 3.661 3.062 4.178 . 0 0 "[ . 1 .]" 1
7 1 1 VAL QG 1 5 TRP HZ2 5.490 . 6.860 3.918 2.010 5.095 . 0 0 "[ . 1 .]" 1
8 1 1 VAL QG 1 37 CYS QB 7.470 . 9.340 5.444 4.622 6.153 . 0 0 "[ . 1 .]" 1
9 1 2 CYS CB 1 37 CYS SG 3.100 3.000 3.100 3.024 2.988 3.038 0.012 10 0 "[ . 1 .]" 1
10 1 2 CYS H 1 2 CYS QB 2.750 . 3.440 2.683 2.097 3.110 . 0 0 "[ . 1 .]" 1
11 1 2 CYS H 1 3 ARG H 6.020 4.520 7.530 4.569 4.463 4.664 0.057 3 0 "[ . 1 .]" 1
12 1 2 CYS HA 1 3 ARG H 3.450 2.590 4.310 2.535 2.480 2.574 0.110 12 0 "[ . 1 .]" 1
13 1 2 CYS QB 1 3 ARG H 4.160 . 5.200 2.689 2.176 3.815 . 0 0 "[ . 1 .]" 1
14 1 2 CYS QB 1 37 CYS QB 4.190 . 5.240 2.736 1.847 4.207 . 0 0 "[ . 1 .]" 1
15 1 2 CYS SG 1 37 CYS CB 3.100 3.000 3.100 3.024 3.007 3.041 . 0 0 "[ . 1 .]" 1
16 1 2 CYS SG 1 37 CYS SG 2.100 . 2.100 2.020 2.019 2.021 . 0 0 "[ . 1 .]" 1
17 1 3 ARG H 1 3 ARG HA 3.020 2.270 3.780 2.694 2.376 2.835 . 0 0 "[ . 1 .]" 1
18 1 3 ARG H 1 3 ARG QB 3.450 . 4.310 3.501 3.367 3.535 . 0 0 "[ . 1 .]" 1
19 1 3 ARG H 1 3 ARG QD 4.540 . 5.670 4.419 4.179 4.754 . 0 0 "[ . 1 .]" 1
20 1 3 ARG H 1 3 ARG QG 3.030 . 3.790 2.738 2.484 3.448 . 0 0 "[ . 1 .]" 1
21 1 3 ARG H 1 4 ASP H 4.990 3.740 6.240 4.374 4.335 4.509 . 0 0 "[ . 1 .]" 1
22 1 3 ARG H 1 31 ALA MB 4.610 . 5.760 3.091 2.736 3.615 . 0 0 "[ . 1 .]" 1
23 1 3 ARG H 1 32 LYS H 4.420 3.310 5.520 5.402 4.721 5.573 0.053 13 0 "[ . 1 .]" 1
24 1 3 ARG HA 1 3 ARG QB 2.370 . 2.960 2.200 2.192 2.213 . 0 0 "[ . 1 .]" 1
25 1 3 ARG HA 1 3 ARG QG 3.210 . 4.010 3.278 3.210 3.302 . 0 0 "[ . 1 .]" 1
26 1 3 ARG HA 1 4 ASP H 2.430 . 3.030 2.674 2.503 2.869 . 0 0 "[ . 1 .]" 1
27 1 3 ARG HA 1 32 LYS H 3.750 2.810 4.690 4.178 3.855 4.492 . 0 0 "[ . 1 .]" 1
28 1 3 ARG QB 1 3 ARG QD 3.210 . 4.020 2.311 2.018 2.544 . 0 0 "[ . 1 .]" 1
29 1 3 ARG QB 1 3 ARG HE 3.970 . 4.960 2.495 1.861 3.256 . 0 0 "[ . 1 .]" 1
30 1 3 ARG QB 1 4 ASP H 2.710 . 3.390 2.061 1.857 2.415 . 0 0 "[ . 1 .]" 1
31 1 3 ARG QB 1 32 LYS HA 4.850 . 6.060 5.390 5.185 5.459 . 0 0 "[ . 1 .]" 1
32 1 3 ARG QD 1 5 TRP HD1 4.770 . 5.960 4.652 4.144 5.341 . 0 0 "[ . 1 .]" 1
33 1 3 ARG QD 1 5 TRP HE1 4.390 . 5.480 3.936 3.451 4.550 . 0 0 "[ . 1 .]" 1
34 1 3 ARG QD 1 5 TRP HE3 5.220 . 6.520 4.564 4.413 4.970 . 0 0 "[ . 1 .]" 1
35 1 3 ARG QD 1 5 TRP HH2 3.860 . 4.820 4.166 3.965 4.314 . 0 0 "[ . 1 .]" 1
36 1 3 ARG QD 1 5 TRP HZ2 3.630 . 4.540 3.578 3.144 4.049 . 0 0 "[ . 1 .]" 1
37 1 3 ARG QD 1 5 TRP HZ3 4.200 . 5.250 4.673 4.549 4.695 . 0 0 "[ . 1 .]" 1
38 1 3 ARG HE 1 4 ASP H 3.980 2.990 4.980 4.256 3.208 4.939 . 0 0 "[ . 1 .]" 1
39 1 3 ARG QG 1 4 ASP H 3.720 . 4.650 3.632 1.909 4.113 . 0 0 "[ . 1 .]" 1
40 1 3 ARG QG 1 5 TRP HD1 4.460 . 5.580 4.265 3.494 4.986 . 0 0 "[ . 1 .]" 1
41 1 3 ARG QG 1 5 TRP HE1 3.850 . 4.820 3.267 2.210 4.232 . 0 0 "[ . 1 .]" 1
42 1 3 ARG QG 1 5 TRP HZ2 4.360 . 5.450 4.000 3.298 4.715 . 0 0 "[ . 1 .]" 1
43 1 4 ASP H 1 4 ASP QB 2.710 . 3.390 2.560 2.103 2.852 . 0 0 "[ . 1 .]" 1
44 1 4 ASP H 1 32 LYS H 4.040 3.030 5.050 3.908 3.245 4.749 . 0 0 "[ . 1 .]" 1
45 1 4 ASP H 1 32 LYS QB 3.300 . 4.130 2.605 2.120 3.385 . 0 0 "[ . 1 .]" 1
46 1 4 ASP HA 1 5 TRP HD1 3.330 2.500 4.170 4.157 3.475 4.240 0.070 3 0 "[ . 1 .]" 1
47 1 4 ASP QB 1 30 CYS HA 4.700 . 5.880 2.777 2.212 3.349 . 0 0 "[ . 1 .]" 1
48 1 4 ASP QB 1 32 LYS H 3.280 . 4.100 3.211 2.869 3.657 . 0 0 "[ . 1 .]" 1
49 1 4 ASP QB 1 32 LYS QG 3.280 . 4.100 3.045 2.346 3.284 . 0 0 "[ . 1 .]" 1
50 1 4 ASP QB 1 33 THR H 5.020 . 6.270 3.944 3.555 4.404 . 0 0 "[ . 1 .]" 1
51 1 5 TRP H 1 5 TRP HA 3.870 2.900 4.830 2.959 2.939 2.987 . 0 0 "[ . 1 .]" 1
52 1 5 TRP H 1 5 TRP HB2 2.690 2.020 3.360 2.768 2.676 2.835 . 0 0 "[ . 1 .]" 1
53 1 5 TRP H 1 5 TRP HB3 3.110 2.330 3.880 3.773 3.732 3.870 . 0 0 "[ . 1 .]" 1
54 1 5 TRP H 1 6 PHE H 2.440 . 3.050 1.884 1.848 1.992 . 0 0 "[ . 1 .]" 1
55 1 5 TRP H 1 10 ALA MB 4.590 . 5.730 4.864 4.828 4.918 . 0 0 "[ . 1 .]" 1
56 1 5 TRP H 1 29 ASN QB 3.570 . 4.470 3.417 1.880 3.849 . 0 0 "[ . 1 .]" 1
57 1 5 TRP H 1 30 CYS HA 3.880 2.910 4.850 3.647 3.209 4.881 0.031 12 0 "[ . 1 .]" 1
58 1 5 TRP HA 1 5 TRP HB2 2.860 2.150 3.580 2.979 2.957 3.012 . 0 0 "[ . 1 .]" 1
59 1 5 TRP HA 1 5 TRP HB3 2.730 2.050 3.410 2.699 2.655 2.746 . 0 0 "[ . 1 .]" 1
60 1 5 TRP HA 1 5 TRP HD1 3.690 2.770 4.620 4.120 4.024 4.239 . 0 0 "[ . 1 .]" 1
61 1 5 TRP HA 1 5 TRP HE3 2.770 2.070 3.460 2.538 2.231 2.808 . 0 0 "[ . 1 .]" 1
62 1 5 TRP HA 1 5 TRP HZ3 4.110 3.090 5.140 4.597 4.303 4.864 . 0 0 "[ . 1 .]" 1
63 1 5 TRP HA 1 6 PHE H 5.020 3.770 6.280 3.626 3.590 3.654 0.180 6 0 "[ . 1 .]" 1
64 1 5 TRP HB2 1 5 TRP HD1 3.000 2.250 3.750 2.563 2.519 2.609 . 0 0 "[ . 1 .]" 1
65 1 5 TRP HB2 1 5 TRP HE3 3.370 2.520 4.210 4.224 4.214 4.235 0.025 6 0 "[ . 1 .]" 1
66 1 5 TRP HB2 1 6 PHE H 2.670 . 3.330 3.162 2.954 3.380 0.050 6 0 "[ . 1 .]" 1
67 1 5 TRP HB2 1 25 LYS QG 3.490 . 4.360 3.782 3.633 3.941 . 0 0 "[ . 1 .]" 1
68 1 5 TRP HB2 1 29 ASN QB 3.970 . 4.970 2.096 1.702 2.480 0.098 12 0 "[ . 1 .]" 1
69 1 5 TRP HB3 1 5 TRP HD1 3.180 2.390 3.980 3.649 3.581 3.717 . 0 0 "[ . 1 .]" 1
70 1 5 TRP HB3 1 5 TRP HE1 5.070 3.810 6.340 5.175 5.145 5.205 . 0 0 "[ . 1 .]" 1
71 1 5 TRP HB3 1 5 TRP HE3 3.000 2.250 3.750 2.907 2.808 3.038 . 0 0 "[ . 1 .]" 1
72 1 5 TRP HB3 1 25 LYS QG 3.820 . 4.780 4.221 3.993 4.381 . 0 0 "[ . 1 .]" 1
73 1 5 TRP HD1 1 25 LYS QG 4.140 . 5.170 4.666 4.272 4.731 . 0 0 "[ . 1 .]" 1
74 1 5 TRP HD1 1 28 ALA HA 5.280 3.960 6.610 5.711 4.896 6.218 . 0 0 "[ . 1 .]" 1
75 1 5 TRP HD1 1 28 ALA MB 4.980 . 6.220 4.405 3.169 5.069 . 0 0 "[ . 1 .]" 1
76 1 5 TRP HD1 1 31 ALA MB 4.770 . 5.960 5.013 4.973 5.039 . 0 0 "[ . 1 .]" 1
77 1 6 PHE H 1 6 PHE HA 3.180 2.390 3.980 2.928 2.919 2.942 . 0 0 "[ . 1 .]" 1
78 1 6 PHE H 1 6 PHE HB2 2.600 . 3.240 2.427 2.304 2.653 . 0 0 "[ . 1 .]" 1
79 1 6 PHE H 1 6 PHE HB3 2.790 2.090 3.490 3.566 3.536 3.594 0.104 13 0 "[ . 1 .]" 1
80 1 6 PHE H 1 6 PHE QD 3.720 . 4.650 2.952 2.734 3.114 . 0 0 "[ . 1 .]" 1
81 1 6 PHE H 1 7 LYS H 4.700 3.530 5.880 4.119 4.043 4.369 . 0 0 "[ . 1 .]" 1
82 1 6 PHE H 1 29 ASN QB 3.530 . 4.410 3.404 2.134 3.908 . 0 0 "[ . 1 .]" 1
83 1 6 PHE HA 1 6 PHE HB2 2.810 2.110 3.510 3.046 3.019 3.058 . 0 0 "[ . 1 .]" 1
84 1 6 PHE HA 1 6 PHE HB3 2.630 . 3.290 2.476 2.376 2.529 . 0 0 "[ . 1 .]" 1
85 1 6 PHE HA 1 6 PHE QD 2.540 . 3.180 2.040 1.945 2.310 . 0 0 "[ . 1 .]" 1
86 1 6 PHE HA 1 6 PHE QE 3.810 . 4.760 4.322 4.230 4.370 . 0 0 "[ . 1 .]" 1
87 1 6 PHE HA 1 7 LYS H 2.560 . 3.200 3.135 2.799 3.214 0.014 6 0 "[ . 1 .]" 1
88 1 6 PHE HA 1 10 ALA MB 3.980 . 4.970 4.066 3.744 4.192 . 0 0 "[ . 1 .]" 1
89 1 6 PHE HA 1 29 ASN QB 4.770 . 5.960 5.281 4.668 5.408 . 0 0 "[ . 1 .]" 1
90 1 6 PHE HB2 1 6 PHE QD 2.810 . 3.510 2.359 2.238 2.512 . 0 0 "[ . 1 .]" 1
91 1 6 PHE HB2 1 7 LYS H 2.740 2.050 3.420 2.387 2.057 2.934 . 0 0 "[ . 1 .]" 1
92 1 6 PHE HB2 1 10 ALA MB 3.470 . 4.340 1.780 1.702 1.811 0.098 3 0 "[ . 1 .]" 1
93 1 6 PHE HB3 1 6 PHE QD 2.780 . 3.470 2.717 2.578 2.773 . 0 0 "[ . 1 .]" 1
94 1 6 PHE HB3 1 7 LYS H 2.580 . 3.220 1.940 1.876 2.143 0.054 3 0 "[ . 1 .]" 1
95 1 6 PHE HB3 1 10 ALA MB 3.450 . 4.320 2.239 1.825 2.563 . 0 0 "[ . 1 .]" 1
96 1 6 PHE QD 1 7 LYS H 3.530 . 4.420 3.978 3.924 4.014 . 0 0 "[ . 1 .]" 1
97 1 6 PHE QD 1 10 ALA MB 4.090 . 5.110 1.855 1.792 2.113 0.008 9 0 "[ . 1 .]" 1
98 1 6 PHE QD 1 14 ALA MB 6.540 . 8.180 4.987 4.365 5.512 . 0 0 "[ . 1 .]" 1
99 1 6 PHE QD 1 25 LYS QD 5.400 . 6.750 4.412 3.967 5.289 . 0 0 "[ . 1 .]" 1
100 1 6 PHE QD 1 25 LYS QG 5.210 . 6.510 4.204 3.917 4.663 . 0 0 "[ . 1 .]" 1
101 1 6 PHE QD 1 26 TYR HA 4.230 . 5.280 4.605 4.267 4.767 . 0 0 "[ . 1 .]" 1
102 1 6 PHE QD 1 29 ASN QB 3.840 . 4.800 3.761 3.498 3.852 . 0 0 "[ . 1 .]" 1
103 1 6 PHE QE 1 10 ALA MB 3.960 . 4.950 3.737 3.676 3.769 . 0 0 "[ . 1 .]" 1
104 1 6 PHE QE 1 25 LYS HA 4.930 . 6.160 4.865 4.360 5.398 . 0 0 "[ . 1 .]" 1
105 1 6 PHE QE 1 25 LYS QB 3.720 . 4.650 2.945 2.289 3.454 . 0 0 "[ . 1 .]" 1
106 1 6 PHE QE 1 25 LYS QG 3.170 . 3.970 2.671 2.240 3.157 . 0 0 "[ . 1 .]" 1
107 1 6 PHE QE 1 29 ASN HA 5.060 . 6.330 5.603 5.437 5.685 . 0 0 "[ . 1 .]" 1
108 1 6 PHE QE 1 29 ASN QB 3.520 . 4.400 3.183 2.979 3.327 . 0 0 "[ . 1 .]" 1
109 1 6 PHE HZ 1 25 LYS QB 4.720 . 5.900 2.069 1.833 2.619 . 0 0 "[ . 1 .]" 1
110 1 6 PHE HZ 1 25 LYS QD 3.360 . 4.200 2.174 1.823 3.391 . 0 0 "[ . 1 .]" 1
111 1 6 PHE HZ 1 25 LYS QG 3.360 . 4.200 2.029 1.862 2.433 . 0 0 "[ . 1 .]" 1
112 1 6 PHE HZ 1 26 TYR HA 4.060 3.050 5.080 4.918 4.247 5.136 0.056 4 0 "[ . 1 .]" 1
113 1 6 PHE HZ 1 29 ASN QB 3.090 . 3.870 3.323 3.004 3.504 . 0 0 "[ . 1 .]" 1
114 1 7 LYS H 1 7 LYS HA 2.890 2.170 3.610 2.940 2.877 2.966 . 0 0 "[ . 1 .]" 1
115 1 7 LYS H 1 7 LYS QB 2.950 . 3.680 2.274 2.118 2.460 . 0 0 "[ . 1 .]" 1
116 1 7 LYS H 1 8 GLU H 4.230 3.180 5.290 4.235 3.064 4.701 0.116 4 0 "[ . 1 .]" 1
117 1 7 LYS HA 1 7 LYS QB 2.560 . 3.200 2.497 2.391 2.570 . 0 0 "[ . 1 .]" 1
118 1 7 LYS HA 1 7 LYS QD 2.820 . 3.520 2.519 1.902 3.093 . 0 0 "[ . 1 .]" 1
119 1 7 LYS HA 1 7 LYS QG 3.190 . 3.980 2.399 1.989 2.865 . 0 0 "[ . 1 .]" 1
120 1 7 LYS HA 1 8 GLU H 2.310 . 2.880 2.557 2.377 2.972 0.092 4 0 "[ . 1 .]" 1
121 1 7 LYS HA 1 9 THR H 4.210 3.160 5.260 4.016 3.853 4.354 . 0 0 "[ . 1 .]" 1
122 1 7 LYS QB 1 8 GLU H 3.480 . 4.350 3.394 2.823 3.857 . 0 0 "[ . 1 .]" 1
123 1 7 LYS QB 1 10 ALA H 3.170 . 3.970 2.606 2.129 3.553 . 0 0 "[ . 1 .]" 1
124 1 8 GLU H 1 8 GLU HA 2.710 2.030 3.390 2.696 2.289 2.856 . 0 0 "[ . 1 .]" 1
125 1 8 GLU H 1 8 GLU QB 2.540 . 3.180 2.507 2.001 2.930 . 0 0 "[ . 1 .]" 1
126 1 8 GLU H 1 8 GLU QG 3.310 . 4.130 2.903 1.997 3.837 . 0 0 "[ . 1 .]" 1
127 1 8 GLU H 1 9 THR H 3.120 2.340 3.900 2.929 2.661 3.257 . 0 0 "[ . 1 .]" 1
128 1 8 GLU H 1 9 THR MG 4.780 . 5.970 4.520 3.926 4.997 . 0 0 "[ . 1 .]" 1
129 1 8 GLU H 1 10 ALA H 4.100 3.070 5.120 4.229 3.688 4.503 . 0 0 "[ . 1 .]" 1
130 1 8 GLU HA 1 8 GLU QB 2.660 . 3.330 2.406 2.150 2.520 . 0 0 "[ . 1 .]" 1
131 1 8 GLU HA 1 8 GLU QG 3.070 . 3.830 2.309 1.943 3.049 . 0 0 "[ . 1 .]" 1
132 1 8 GLU HA 1 9 THR H 3.230 2.420 4.040 3.484 3.422 3.556 . 0 0 "[ . 1 .]" 1
133 1 8 GLU HA 1 11 CYS H 3.180 2.390 3.980 3.856 3.723 3.989 0.009 6 0 "[ . 1 .]" 1
134 1 8 GLU HA 1 11 CYS QB 2.730 . 3.410 3.111 3.036 3.151 . 0 0 "[ . 1 .]" 1
135 1 8 GLU HA 1 12 ARG H 3.810 2.860 4.770 4.722 4.533 4.834 0.064 14 0 "[ . 1 .]" 1
136 1 8 GLU QB 1 9 THR H 2.880 . 3.600 3.132 3.047 3.265 . 0 0 "[ . 1 .]" 1
137 1 8 GLU QG 1 9 THR H 4.170 . 5.210 4.190 1.975 4.677 . 0 0 "[ . 1 .]" 1
138 1 9 THR H 1 9 THR HA 2.740 2.050 3.420 2.940 2.926 2.953 . 0 0 "[ . 1 .]" 1
139 1 9 THR H 1 9 THR HB 2.870 2.160 3.590 3.594 3.562 3.606 0.016 1 0 "[ . 1 .]" 1
140 1 9 THR H 1 9 THR MG 3.230 . 4.040 2.623 2.305 3.034 . 0 0 "[ . 1 .]" 1
141 1 9 THR H 1 10 ALA H 2.810 2.110 3.510 2.273 2.077 2.368 0.033 7 0 "[ . 1 .]" 1
142 1 9 THR H 1 10 ALA HA 4.010 3.010 5.010 4.988 4.809 5.044 0.034 9 0 "[ . 1 .]" 1
143 1 9 THR HA 1 9 THR HB 2.530 . 3.160 2.543 2.483 2.645 . 0 0 "[ . 1 .]" 1
144 1 9 THR HA 1 9 THR MG 3.170 . 3.960 2.087 1.893 2.200 . 0 0 "[ . 1 .]" 1
145 1 9 THR HA 1 10 ALA H 3.260 2.440 4.070 3.507 3.459 3.542 . 0 0 "[ . 1 .]" 1
146 1 9 THR HA 1 11 CYS H 3.640 2.730 4.550 3.745 3.504 3.843 . 0 0 "[ . 1 .]" 1
147 1 9 THR HB 1 10 ALA H 3.060 2.290 3.820 3.873 3.841 3.902 0.082 15 0 "[ . 1 .]" 1
148 1 9 THR MG 1 12 ARG H 4.990 . 6.240 4.276 3.872 4.621 . 0 0 "[ . 1 .]" 1
149 1 9 THR MG 1 32 LYS QE 4.420 . 5.530 4.189 4.170 4.217 . 0 0 "[ . 1 .]" 1
150 1 10 ALA H 1 10 ALA HA 2.730 2.050 3.410 2.854 2.835 2.902 . 0 0 "[ . 1 .]" 1
151 1 10 ALA H 1 10 ALA MB 2.730 . 3.410 2.234 2.137 2.324 . 0 0 "[ . 1 .]" 1
152 1 10 ALA H 1 11 CYS H 2.560 . 3.200 2.502 2.402 2.588 . 0 0 "[ . 1 .]" 1
153 1 10 ALA H 1 11 CYS QB 4.420 . 5.520 4.308 4.104 4.472 . 0 0 "[ . 1 .]" 1
154 1 10 ALA H 1 12 ARG H 3.900 2.920 4.870 4.275 3.752 4.665 . 0 0 "[ . 1 .]" 1
155 1 10 ALA HA 1 11 CYS H 3.610 2.710 4.510 3.465 3.446 3.493 . 0 0 "[ . 1 .]" 1
156 1 10 ALA HA 1 12 ARG H 4.780 3.590 5.980 4.871 4.272 5.273 . 0 0 "[ . 1 .]" 1
157 1 10 ALA HA 1 13 HIS H 3.470 2.600 4.340 3.718 3.385 4.023 . 0 0 "[ . 1 .]" 1
158 1 10 ALA HA 1 13 HIS QB 2.790 . 3.490 2.953 2.646 3.174 . 0 0 "[ . 1 .]" 1
159 1 10 ALA HA 1 14 ALA H 3.790 2.840 4.740 4.819 4.785 4.901 0.161 14 0 "[ . 1 .]" 1
160 1 10 ALA MB 1 11 CYS H 3.200 . 4.000 2.385 2.225 2.606 . 0 0 "[ . 1 .]" 1
161 1 10 ALA MB 1 14 ALA H 4.720 . 5.900 4.867 4.624 4.944 . 0 0 "[ . 1 .]" 1
162 1 11 CYS CB 1 30 CYS SG 3.100 3.000 3.100 2.986 2.966 3.009 0.034 1 0 "[ . 1 .]" 1
163 1 11 CYS H 1 11 CYS QB 2.780 . 3.480 2.305 2.159 2.440 . 0 0 "[ . 1 .]" 1
164 1 11 CYS H 1 12 ARG H 2.880 2.160 3.610 2.839 2.477 3.106 . 0 0 "[ . 1 .]" 1
165 1 11 CYS H 1 13 HIS H 3.700 2.780 4.630 3.890 3.758 4.066 . 0 0 "[ . 1 .]" 1
166 1 11 CYS H 1 33 THR MG 4.890 . 6.110 4.586 4.222 5.056 . 0 0 "[ . 1 .]" 1
167 1 11 CYS HA 1 14 ALA MB 4.030 . 5.040 2.758 2.317 3.228 . 0 0 "[ . 1 .]" 1
168 1 11 CYS QB 1 12 ARG H 3.160 . 3.950 2.377 1.904 3.059 . 0 0 "[ . 1 .]" 1
169 1 11 CYS QB 1 14 ALA MB 5.170 . 6.460 4.079 3.457 4.463 . 0 0 "[ . 1 .]" 1
170 1 11 CYS QB 1 30 CYS HA 4.370 . 5.460 2.650 1.913 3.105 . 0 0 "[ . 1 .]" 1
171 1 11 CYS QB 1 30 CYS QB 4.130 . 5.160 1.881 1.821 2.054 . 0 0 "[ . 1 .]" 1
172 1 11 CYS QB 1 33 THR H 3.750 . 4.690 3.120 2.842 3.458 . 0 0 "[ . 1 .]" 1
173 1 11 CYS QB 1 33 THR HB 2.650 . 3.310 2.119 1.798 2.970 0.002 1 0 "[ . 1 .]" 1
174 1 11 CYS QB 1 33 THR MG 3.450 . 4.320 2.699 2.331 3.194 . 0 0 "[ . 1 .]" 1
175 1 11 CYS SG 1 30 CYS CB 3.100 3.000 3.100 2.972 2.937 2.995 0.063 12 0 "[ . 1 .]" 1
176 1 11 CYS SG 1 30 CYS SG 2.100 . 2.100 2.021 2.018 2.024 . 0 0 "[ . 1 .]" 1
177 1 12 ARG H 1 12 ARG HA 2.670 2.010 3.340 2.794 2.690 2.866 . 0 0 "[ . 1 .]" 1
178 1 12 ARG H 1 12 ARG QB 2.520 . 3.150 2.221 2.141 2.316 . 0 0 "[ . 1 .]" 1
179 1 12 ARG H 1 12 ARG QD 4.150 . 5.190 4.550 4.471 4.626 . 0 0 "[ . 1 .]" 1
180 1 12 ARG H 1 12 ARG QG 3.390 . 4.230 3.816 3.785 3.896 . 0 0 "[ . 1 .]" 1
181 1 12 ARG H 1 13 HIS H 2.820 2.110 3.520 2.830 2.499 3.028 . 0 0 "[ . 1 .]" 1
182 1 12 ARG H 1 13 HIS QB 4.260 . 5.330 4.591 4.150 4.761 . 0 0 "[ . 1 .]" 1
183 1 12 ARG H 1 14 ALA H 4.220 3.170 5.280 4.637 4.128 5.103 . 0 0 "[ . 1 .]" 1
184 1 12 ARG H 1 14 ALA MB 4.830 . 6.040 5.082 5.036 5.149 . 0 0 "[ . 1 .]" 1
185 1 12 ARG H 1 33 THR MG 4.060 . 5.070 3.070 2.098 3.321 . 0 0 "[ . 1 .]" 1
186 1 12 ARG HA 1 12 ARG QB 2.420 . 3.020 2.325 2.207 2.477 . 0 0 "[ . 1 .]" 1
187 1 12 ARG HA 1 12 ARG QG 2.580 . 3.220 2.449 2.109 2.718 . 0 0 "[ . 1 .]" 1
188 1 12 ARG HA 1 13 HIS H 2.890 2.170 3.610 3.511 3.439 3.545 . 0 0 "[ . 1 .]" 1
189 1 12 ARG HA 1 14 ALA H 4.880 3.660 6.100 4.697 4.095 5.056 . 0 0 "[ . 1 .]" 1
190 1 12 ARG HA 1 15 LYS H 3.200 2.400 4.000 3.423 2.790 4.020 0.020 11 0 "[ . 1 .]" 1
191 1 12 ARG QB 1 12 ARG QG 2.300 . 2.880 2.084 2.069 2.095 . 0 0 "[ . 1 .]" 1
192 1 12 ARG QB 1 13 HIS H 2.800 . 3.500 2.956 2.811 3.125 . 0 0 "[ . 1 .]" 1
193 1 12 ARG QB 1 33 THR MG 3.960 . 4.950 3.382 2.649 3.708 . 0 0 "[ . 1 .]" 1
194 1 12 ARG QG 1 16 SER H 3.250 . 4.060 3.666 3.620 3.736 . 0 0 "[ . 1 .]" 1
195 1 13 HIS H 1 13 HIS HA 2.810 2.100 3.510 2.887 2.841 2.908 . 0 0 "[ . 1 .]" 1
196 1 13 HIS H 1 13 HIS QB 2.560 . 3.200 2.190 2.024 2.333 . 0 0 "[ . 1 .]" 1
197 1 13 HIS H 1 14 ALA H 2.830 2.120 3.540 2.668 2.449 2.891 . 0 0 "[ . 1 .]" 1
198 1 13 HIS H 1 14 ALA HA 4.250 3.190 5.310 5.285 5.165 5.376 0.066 10 0 "[ . 1 .]" 1
199 1 13 HIS H 1 14 ALA MB 4.590 . 5.740 4.191 4.031 4.342 . 0 0 "[ . 1 .]" 1
200 1 13 HIS HA 1 13 HIS HD2 3.220 2.410 4.020 3.065 2.419 4.249 0.229 6 0 "[ . 1 .]" 1
201 1 13 HIS HA 1 14 ALA H 3.550 2.660 4.430 3.550 3.481 3.632 . 0 0 "[ . 1 .]" 1
202 1 13 HIS QB 1 13 HIS HD2 3.210 . 4.010 2.961 2.656 3.120 . 0 0 "[ . 1 .]" 1
203 1 13 HIS QB 1 14 ALA H 2.840 . 3.550 2.231 1.842 3.152 . 0 0 "[ . 1 .]" 1
204 1 13 HIS QB 1 14 ALA MB 5.720 . 7.150 3.690 3.412 4.115 . 0 0 "[ . 1 .]" 1
205 1 13 HIS QB 1 17 LEU QD 5.720 . 7.150 2.847 1.835 4.195 . 0 0 "[ . 1 .]" 1
206 1 13 HIS HD2 1 14 ALA H 4.330 3.250 5.410 4.970 3.189 5.418 0.061 15 0 "[ . 1 .]" 1
207 1 13 HIS HD2 1 17 LEU QD 4.060 . 5.080 3.103 1.744 3.781 0.056 9 0 "[ . 1 .]" 1
208 1 13 HIS HE1 1 17 LEU QD 4.200 . 5.250 2.701 2.217 3.926 . 0 0 "[ . 1 .]" 1
209 1 13 HIS HE1 1 17 LEU HG 4.500 3.370 5.620 5.201 3.972 5.684 0.064 15 0 "[ . 1 .]" 1
210 1 14 ALA H 1 14 ALA HA 2.840 2.130 3.550 2.829 2.695 3.007 . 0 0 "[ . 1 .]" 1
211 1 14 ALA H 1 14 ALA MB 2.930 . 3.660 2.157 2.005 2.334 . 0 0 "[ . 1 .]" 1
212 1 14 ALA H 1 15 LYS H 2.910 2.180 3.630 3.059 2.343 3.452 . 0 0 "[ . 1 .]" 1
213 1 14 ALA H 1 17 LEU QD 4.630 . 5.790 3.043 2.362 4.240 . 0 0 "[ . 1 .]" 1
214 1 14 ALA H 1 26 TYR QE 5.420 . 6.770 4.529 3.255 5.198 . 0 0 "[ . 1 .]" 1
215 1 14 ALA HA 1 15 LYS H 3.550 2.670 4.440 3.607 3.483 3.716 . 0 0 "[ . 1 .]" 1
216 1 14 ALA HA 1 17 LEU H 3.190 2.390 3.990 3.491 3.157 4.006 0.016 12 0 "[ . 1 .]" 1
217 1 14 ALA HA 1 17 LEU QB 2.970 . 3.710 3.274 1.987 3.562 . 0 0 "[ . 1 .]" 1
218 1 14 ALA HA 1 17 LEU QD 4.000 . 5.000 1.831 1.696 2.296 0.104 2 0 "[ . 1 .]" 1
219 1 14 ALA HA 1 19 ASN H 4.190 3.140 5.240 3.212 3.037 3.610 0.103 5 0 "[ . 1 .]" 1
220 1 14 ALA HA 1 19 ASN HB2 3.850 2.890 4.810 3.003 2.774 4.390 0.116 11 0 "[ . 1 .]" 1
221 1 14 ALA HA 1 19 ASN HB3 3.330 2.500 4.160 4.321 4.196 4.468 0.308 15 0 "[ . 1 .]" 1
222 1 14 ALA HA 1 19 ASN QD 3.470 . 4.330 2.315 1.822 3.853 . 0 0 "[ . 1 .]" 1
223 1 14 ALA MB 1 15 LYS H 3.340 . 4.180 2.593 1.929 3.269 . 0 0 "[ . 1 .]" 1
224 1 14 ALA MB 1 15 LYS HA 4.580 . 5.730 3.825 3.617 3.964 . 0 0 "[ . 1 .]" 1
225 1 14 ALA MB 1 15 LYS QB 5.810 . 7.260 3.937 3.668 4.251 . 0 0 "[ . 1 .]" 1
226 1 14 ALA MB 1 17 LEU H 4.900 . 6.130 4.577 4.385 4.859 . 0 0 "[ . 1 .]" 1
227 1 14 ALA MB 1 19 ASN H 4.410 . 5.520 3.956 3.629 4.296 . 0 0 "[ . 1 .]" 1
228 1 14 ALA MB 1 19 ASN HB2 3.170 . 3.970 2.227 1.853 3.034 . 0 0 "[ . 1 .]" 1
229 1 14 ALA MB 1 19 ASN HB3 3.240 . 4.060 3.421 3.250 3.544 . 0 0 "[ . 1 .]" 1
230 1 14 ALA MB 1 19 ASN QD 4.180 . 5.230 2.318 1.761 3.726 0.039 12 0 "[ . 1 .]" 1
231 1 14 ALA MB 1 20 CYS H 5.100 . 6.380 3.061 2.169 4.746 . 0 0 "[ . 1 .]" 1
232 1 14 ALA MB 1 26 TYR H 5.510 . 6.890 4.763 4.156 5.397 . 0 0 "[ . 1 .]" 1
233 1 14 ALA MB 1 26 TYR HA 5.240 . 6.550 3.023 2.165 3.735 . 0 0 "[ . 1 .]" 1
234 1 14 ALA MB 1 26 TYR QD 3.630 . 4.540 2.430 1.708 3.170 0.092 10 0 "[ . 1 .]" 1
235 1 14 ALA MB 1 26 TYR QE 3.750 . 4.680 3.422 2.954 3.545 . 0 0 "[ . 1 .]" 1
236 1 14 ALA MB 1 30 CYS QB 5.630 . 7.040 2.739 1.898 3.217 . 0 0 "[ . 1 .]" 1
237 1 15 LYS H 1 15 LYS HA 2.920 2.190 3.650 2.859 2.734 2.946 . 0 0 "[ . 1 .]" 1
238 1 15 LYS H 1 15 LYS QB 2.370 . 2.960 2.175 2.021 2.559 . 0 0 "[ . 1 .]" 1
239 1 15 LYS H 1 15 LYS QG 3.280 . 4.100 3.590 1.858 3.867 . 0 0 "[ . 1 .]" 1
240 1 15 LYS H 1 16 SER H 2.870 2.150 3.590 2.774 2.309 3.064 . 0 0 "[ . 1 .]" 1
241 1 15 LYS H 1 16 SER QB 4.340 . 5.420 4.651 4.059 4.855 . 0 0 "[ . 1 .]" 1
242 1 15 LYS H 1 33 THR MG 4.160 . 5.200 2.267 1.781 2.876 0.019 8 0 "[ . 1 .]" 1
243 1 15 LYS HA 1 15 LYS QB 2.640 . 3.290 2.277 2.190 2.505 . 0 0 "[ . 1 .]" 1
244 1 15 LYS HA 1 15 LYS QG 2.840 . 3.550 2.805 1.901 3.242 . 0 0 "[ . 1 .]" 1
245 1 15 LYS HA 1 16 SER H 5.090 3.820 6.360 3.660 3.595 3.699 0.225 13 0 "[ . 1 .]" 1
246 1 15 LYS HA 1 18 GLY H 6.070 4.550 7.590 4.563 4.330 4.992 0.220 13 0 "[ . 1 .]" 1
247 1 15 LYS HA 1 20 CYS H 3.210 2.410 4.010 3.710 2.971 4.122 0.112 15 0 "[ . 1 .]" 1
248 1 15 LYS HA 1 33 THR MG 4.350 . 5.430 3.481 2.782 4.327 . 0 0 "[ . 1 .]" 1
249 1 15 LYS QB 1 16 SER H 3.160 . 3.950 2.865 2.560 3.194 . 0 0 "[ . 1 .]" 1
250 1 15 LYS QB 1 33 THR HA 2.990 . 3.740 3.465 3.376 3.569 . 0 0 "[ . 1 .]" 1
251 1 15 LYS QB 1 33 THR MG 3.120 . 3.900 1.635 1.562 1.763 0.238 6 0 "[ . 1 .]" 1
252 1 15 LYS QB 1 34 CYS H 4.090 . 5.110 3.653 3.285 3.890 . 0 0 "[ . 1 .]" 1
253 1 15 LYS QB 1 34 CYS HA 3.110 . 3.890 2.790 2.279 3.489 . 0 0 "[ . 1 .]" 1
254 1 15 LYS QB 1 34 CYS HB2 2.920 . 3.650 3.281 2.945 3.345 . 0 0 "[ . 1 .]" 1
255 1 15 LYS QE 1 15 LYS QG 3.000 . 3.760 2.123 1.964 2.373 . 0 0 "[ . 1 .]" 1
256 1 15 LYS QG 1 16 SER H 4.130 . 5.170 3.110 2.252 4.621 . 0 0 "[ . 1 .]" 1
257 1 15 LYS QG 1 33 THR MG 4.320 . 5.400 3.076 2.020 3.453 . 0 0 "[ . 1 .]" 1
258 1 15 LYS QG 1 34 CYS HA 3.690 . 4.610 3.450 1.864 4.122 . 0 0 "[ . 1 .]" 1
259 1 16 SER H 1 16 SER HA 2.880 2.160 3.600 2.946 2.891 2.963 . 0 0 "[ . 1 .]" 1
260 1 16 SER H 1 16 SER QB 2.780 . 3.470 2.247 2.136 2.404 . 0 0 "[ . 1 .]" 1
261 1 16 SER H 1 17 LEU H 2.990 2.250 3.740 2.658 2.239 3.102 0.011 13 0 "[ . 1 .]" 1
262 1 16 SER H 1 17 LEU QD 5.330 . 6.660 4.400 3.453 4.886 . 0 0 "[ . 1 .]" 1
263 1 16 SER H 1 33 THR MG 4.830 . 6.040 3.714 3.286 4.065 . 0 0 "[ . 1 .]" 1
264 1 16 SER HA 1 16 SER QB 2.450 . 3.070 2.448 2.339 2.536 . 0 0 "[ . 1 .]" 1
265 1 16 SER HA 1 17 LEU H 3.440 2.580 4.300 3.318 2.903 3.566 . 0 0 "[ . 1 .]" 1
266 1 16 SER HA 1 18 GLY H 3.860 2.900 4.830 4.886 4.834 4.965 0.135 12 0 "[ . 1 .]" 1
267 1 16 SER QB 1 17 LEU H 3.120 . 3.900 3.373 2.841 3.655 . 0 0 "[ . 1 .]" 1
268 1 16 SER QB 1 17 LEU QD 5.470 . 6.840 4.480 4.041 4.604 . 0 0 "[ . 1 .]" 1
269 1 17 LEU H 1 17 LEU HA 2.860 2.140 3.570 2.962 2.916 2.997 . 0 0 "[ . 1 .]" 1
270 1 17 LEU H 1 17 LEU QB 2.850 . 3.560 2.559 1.929 2.938 . 0 0 "[ . 1 .]" 1
271 1 17 LEU H 1 17 LEU QD 3.940 . 4.920 3.135 2.055 3.589 . 0 0 "[ . 1 .]" 1
272 1 17 LEU H 1 17 LEU HG 2.390 . 2.990 2.513 2.050 3.205 0.215 8 0 "[ . 1 .]" 1
273 1 17 LEU H 1 18 GLY H 2.870 2.160 3.590 2.325 2.115 2.610 0.045 12 0 "[ . 1 .]" 1
274 1 17 LEU H 1 19 ASN H 3.920 2.940 4.900 3.976 3.525 4.548 . 0 0 "[ . 1 .]" 1
275 1 17 LEU HA 1 17 LEU QD 3.230 . 4.040 2.897 1.931 3.099 . 0 0 "[ . 1 .]" 1
276 1 17 LEU HA 1 17 LEU HG 2.890 2.170 3.620 3.394 2.400 3.733 0.113 13 0 "[ . 1 .]" 1
277 1 17 LEU HA 1 18 GLY H 3.290 2.470 4.110 3.531 3.461 3.580 . 0 0 "[ . 1 .]" 1
278 1 17 LEU QB 1 18 GLY H 4.030 . 5.040 2.957 1.895 3.600 . 0 0 "[ . 1 .]" 1
279 1 17 LEU QB 1 19 ASN H 3.750 . 4.690 3.539 2.033 4.201 . 0 0 "[ . 1 .]" 1
280 1 17 LEU QB 1 19 ASN QD 4.040 . 5.050 3.725 2.925 4.105 . 0 0 "[ . 1 .]" 1
281 1 17 LEU QD 1 18 GLY H 6.370 . 7.960 2.592 2.139 3.331 . 0 0 "[ . 1 .]" 1
282 1 17 LEU QD 1 18 GLY QA 4.590 . 5.740 2.983 2.293 3.931 . 0 0 "[ . 1 .]" 1
283 1 17 LEU QD 1 19 ASN H 5.270 . 6.590 2.153 1.831 3.076 . 0 0 "[ . 1 .]" 1
284 1 17 LEU QD 1 19 ASN QD 4.580 . 5.720 1.730 1.539 2.818 0.261 6 0 "[ . 1 .]" 1
285 1 17 LEU QD 1 20 CYS H 4.230 . 5.290 3.982 3.819 4.097 . 0 0 "[ . 1 .]" 1
286 1 17 LEU QD 1 26 TYR QD 5.100 . 6.370 3.459 1.884 4.046 . 0 0 "[ . 1 .]" 1
287 1 17 LEU QD 1 26 TYR QE 3.860 . 4.820 3.054 1.964 3.280 . 0 0 "[ . 1 .]" 1
288 1 18 GLY H 1 18 GLY QA 2.640 . 3.300 2.493 2.438 2.514 . 0 0 "[ . 1 .]" 1
289 1 18 GLY H 1 19 ASN H 2.450 . 3.060 2.025 1.848 2.473 . 0 0 "[ . 1 .]" 1
290 1 18 GLY H 1 19 ASN HB3 4.300 3.230 5.380 5.368 5.067 5.496 0.116 10 0 "[ . 1 .]" 1
291 1 18 GLY QA 1 19 ASN H 3.600 . 4.500 2.874 2.600 3.033 . 0 0 "[ . 1 .]" 1
292 1 19 ASN H 1 19 ASN HA 3.380 2.540 4.230 2.846 2.707 2.919 . 0 0 "[ . 1 .]" 1
293 1 19 ASN H 1 19 ASN HB2 2.920 2.190 3.650 2.919 2.201 3.452 . 0 0 "[ . 1 .]" 1
294 1 19 ASN H 1 19 ASN HB3 2.660 . 3.320 3.487 3.429 3.553 0.233 13 0 "[ . 1 .]" 1
295 1 19 ASN H 1 19 ASN QD 3.980 . 4.970 3.299 2.965 3.893 . 0 0 "[ . 1 .]" 1
296 1 19 ASN H 1 20 CYS H 2.660 . 3.320 2.935 2.570 3.395 0.075 2 0 "[ . 1 .]" 1
297 1 19 ASN H 1 23 SER QB 4.960 . 6.200 4.964 4.638 5.493 . 0 0 "[ . 1 .]" 1
298 1 19 ASN HA 1 19 ASN HB2 2.590 . 3.240 2.958 2.873 3.029 . 0 0 "[ . 1 .]" 1
299 1 19 ASN HA 1 19 ASN HB3 2.910 2.180 3.640 2.305 2.152 2.654 0.028 7 0 "[ . 1 .]" 1
300 1 19 ASN HA 1 20 CYS H 3.910 2.940 4.890 3.476 2.975 3.629 . 0 0 "[ . 1 .]" 1
301 1 19 ASN HA 1 21 ARG H 4.430 3.330 5.540 3.863 3.456 5.186 . 0 0 "[ . 1 .]" 1
302 1 19 ASN HA 1 22 THR H 3.500 2.620 4.370 2.763 2.521 3.805 0.099 11 0 "[ . 1 .]" 1
303 1 19 ASN HA 1 22 THR MG 4.350 . 5.440 2.992 2.055 4.221 . 0 0 "[ . 1 .]" 1
304 1 19 ASN HA 1 23 SER H 3.780 2.830 4.720 3.569 2.963 4.744 0.024 15 0 "[ . 1 .]" 1
305 1 19 ASN HB2 1 20 CYS H 3.110 2.330 3.880 2.830 2.131 3.899 0.199 6 0 "[ . 1 .]" 1
306 1 19 ASN HB2 1 23 SER H 3.210 2.400 4.010 4.104 3.968 4.205 0.195 13 0 "[ . 1 .]" 1
307 1 19 ASN HB2 1 23 SER QB 2.470 . 3.090 2.802 2.591 3.037 . 0 0 "[ . 1 .]" 1
308 1 19 ASN HB3 1 20 CYS H 3.510 2.630 4.390 3.748 2.562 4.420 0.068 11 0 "[ . 1 .]" 1
309 1 19 ASN HB3 1 23 SER QB 3.220 . 4.020 1.910 1.703 2.315 0.097 4 0 "[ . 1 .]" 1
310 1 19 ASN HB3 1 26 TYR QD 3.660 . 4.570 2.482 1.867 3.648 . 0 0 "[ . 1 .]" 1
311 1 19 ASN HB3 1 26 TYR QE 4.910 . 6.130 4.416 3.741 5.498 . 0 0 "[ . 1 .]" 1
312 1 19 ASN QD 1 26 TYR HA 4.300 . 5.370 4.847 4.673 4.899 . 0 0 "[ . 1 .]" 1
313 1 19 ASN QD 1 26 TYR QD 5.290 . 6.610 2.114 1.839 2.603 . 0 0 "[ . 1 .]" 1
314 1 20 CYS CB 1 34 CYS SG 3.100 3.000 3.100 3.020 2.873 3.081 0.127 15 0 "[ . 1 .]" 1
315 1 20 CYS H 1 20 CYS HA 2.840 2.130 3.550 2.555 2.332 2.950 . 0 0 "[ . 1 .]" 1
316 1 20 CYS H 1 20 CYS QB 2.730 . 3.410 2.493 2.252 2.748 . 0 0 "[ . 1 .]" 1
317 1 20 CYS H 1 21 ARG H 2.690 2.020 3.360 3.127 2.894 3.569 0.209 15 0 "[ . 1 .]" 1
318 1 20 CYS H 1 22 THR H 3.410 2.560 4.270 4.072 3.710 4.278 0.008 6 0 "[ . 1 .]" 1
319 1 20 CYS HA 1 20 CYS QB 2.510 . 3.130 2.325 2.197 2.496 . 0 0 "[ . 1 .]" 1
320 1 20 CYS QB 1 21 ARG H 3.320 . 4.150 3.304 2.568 3.866 . 0 0 "[ . 1 .]" 1
321 1 20 CYS QB 1 34 CYS HA 3.590 . 4.490 4.055 3.941 4.255 . 0 0 "[ . 1 .]" 1
322 1 20 CYS QB 1 36 LEU QD 4.840 . 6.050 3.739 3.000 4.062 . 0 0 "[ . 1 .]" 1
323 1 20 CYS SG 1 34 CYS CB 3.100 3.000 3.100 3.060 2.994 3.113 0.013 14 0 "[ . 1 .]" 1
324 1 20 CYS SG 1 34 CYS SG 2.100 . 2.100 2.018 2.015 2.021 . 0 0 "[ . 1 .]" 1
325 1 21 ARG H 1 21 ARG QB 2.740 . 3.430 2.799 2.355 3.173 . 0 0 "[ . 1 .]" 1
326 1 21 ARG H 1 21 ARG QG 4.020 . 5.030 3.817 3.437 4.124 . 0 0 "[ . 1 .]" 1
327 1 21 ARG H 1 22 THR H 2.890 2.170 3.620 2.132 2.034 2.525 0.136 13 0 "[ . 1 .]" 1
328 1 21 ARG H 1 22 THR MG 4.040 . 5.050 3.616 2.550 4.203 . 0 0 "[ . 1 .]" 1
329 1 21 ARG H 1 36 LEU QD 4.410 . 5.510 3.655 2.289 4.106 . 0 0 "[ . 1 .]" 1
330 1 21 ARG HA 1 21 ARG QB 2.490 . 3.110 2.492 2.447 2.512 . 0 0 "[ . 1 .]" 1
331 1 21 ARG HA 1 21 ARG QG 3.190 . 3.990 1.948 1.856 2.106 . 0 0 "[ . 1 .]" 1
332 1 21 ARG HA 1 22 THR H 2.920 2.190 3.650 3.382 3.092 3.557 . 0 0 "[ . 1 .]" 1
333 1 21 ARG HA 1 27 ARG QH2 3.620 . 4.530 4.407 3.198 5.916 1.386 12 6 "[** . * +*-.]" 1
334 1 21 ARG QB 1 22 THR H 2.890 . 3.610 3.261 3.007 3.425 . 0 0 "[ . 1 .]" 1
335 1 21 ARG QB 1 22 THR MG 3.830 . 4.790 3.163 2.934 3.564 . 0 0 "[ . 1 .]" 1
336 1 21 ARG QG 1 27 ARG QB 2.530 . 3.160 2.536 2.513 2.554 . 0 0 "[ . 1 .]" 1
337 1 22 THR H 1 22 THR MG 3.390 . 4.240 2.364 1.853 3.237 . 0 0 "[ . 1 .]" 1
338 1 22 THR H 1 23 SER H 2.650 . 3.310 2.298 2.180 2.512 . 0 0 "[ . 1 .]" 1
339 1 22 THR H 1 23 SER QB 3.470 . 4.330 3.915 3.786 3.961 . 0 0 "[ . 1 .]" 1
340 1 22 THR H 1 27 ARG QB 4.200 . 5.250 3.743 3.450 4.040 . 0 0 "[ . 1 .]" 1
341 1 22 THR MG 1 23 SER H 4.340 . 5.420 3.986 3.500 4.448 . 0 0 "[ . 1 .]" 1
342 1 23 SER H 1 23 SER HA 3.610 2.710 4.510 2.987 2.965 2.998 . 0 0 "[ . 1 .]" 1
343 1 23 SER H 1 23 SER QB 2.820 . 3.520 2.360 2.207 2.605 . 0 0 "[ . 1 .]" 1
344 1 23 SER H 1 24 GLN H 4.180 3.130 5.220 4.401 4.043 4.557 . 0 0 "[ . 1 .]" 1
345 1 23 SER H 1 27 ARG QG 3.940 . 4.930 4.501 4.468 4.559 . 0 0 "[ . 1 .]" 1
346 1 23 SER HA 1 23 SER QB 2.500 . 3.130 2.451 2.257 2.560 . 0 0 "[ . 1 .]" 1
347 1 23 SER HA 1 24 GLN H 2.650 . 3.310 2.352 2.204 2.667 . 0 0 "[ . 1 .]" 1
348 1 23 SER HA 1 25 LYS H 4.140 3.100 5.170 4.797 3.764 5.235 0.065 13 0 "[ . 1 .]" 1
349 1 23 SER HA 1 26 TYR QB 4.000 . 5.000 3.937 3.729 4.251 . 0 0 "[ . 1 .]" 1
350 1 23 SER HA 1 26 TYR QD 4.300 . 5.370 4.795 4.613 4.882 . 0 0 "[ . 1 .]" 1
351 1 23 SER QB 1 24 GLN H 3.950 . 4.940 3.449 2.992 3.935 . 0 0 "[ . 1 .]" 1
352 1 23 SER QB 1 26 TYR H 3.950 . 4.940 3.187 1.871 3.722 . 0 0 "[ . 1 .]" 1
353 1 23 SER QB 1 26 TYR QD 3.190 . 3.980 2.263 2.029 2.418 . 0 0 "[ . 1 .]" 1
354 1 23 SER QB 1 26 TYR QE 4.130 . 5.170 4.024 3.687 4.206 . 0 0 "[ . 1 .]" 1
355 1 23 SER QB 1 27 ARG H 4.710 . 5.890 3.378 2.809 4.262 . 0 0 "[ . 1 .]" 1
356 1 24 GLN H 1 24 GLN HA 2.820 2.110 3.520 2.868 2.752 2.957 . 0 0 "[ . 1 .]" 1
357 1 24 GLN H 1 24 GLN QB 2.670 . 3.340 2.431 2.145 2.816 . 0 0 "[ . 1 .]" 1
358 1 24 GLN H 1 24 GLN QG 3.390 . 4.240 2.587 1.825 3.809 . 0 0 "[ . 1 .]" 1
359 1 24 GLN H 1 25 LYS H 2.870 2.150 3.590 3.007 2.605 3.237 . 0 0 "[ . 1 .]" 1
360 1 24 GLN H 1 25 LYS QB 4.270 . 5.340 4.703 4.383 4.790 . 0 0 "[ . 1 .]" 1
361 1 24 GLN H 1 26 TYR H 4.480 3.360 5.600 4.237 3.651 4.659 . 0 0 "[ . 1 .]" 1
362 1 24 GLN HA 1 24 GLN QG 3.640 . 4.550 2.397 2.087 2.812 . 0 0 "[ . 1 .]" 1
363 1 24 GLN HA 1 27 ARG H 3.220 2.420 4.030 3.786 3.445 4.061 0.031 14 0 "[ . 1 .]" 1
364 1 24 GLN HA 1 27 ARG QB 3.330 . 4.170 3.788 3.755 3.822 . 0 0 "[ . 1 .]" 1
365 1 24 GLN HA 1 27 ARG QD 3.430 . 4.290 2.955 2.623 3.363 . 0 0 "[ . 1 .]" 1
366 1 24 GLN HA 1 27 ARG QG 3.590 . 4.490 2.523 2.181 2.918 . 0 0 "[ . 1 .]" 1
367 1 24 GLN QB 1 25 LYS H 3.160 . 3.960 2.459 1.971 2.934 . 0 0 "[ . 1 .]" 1
368 1 24 GLN QB 1 26 TYR H 5.940 . 7.430 4.545 4.291 5.079 . 0 0 "[ . 1 .]" 1
369 1 24 GLN QG 1 25 LYS H 4.550 . 5.690 3.949 2.141 4.541 . 0 0 "[ . 1 .]" 1
370 1 25 LYS H 1 25 LYS HA 2.670 . 3.330 2.871 2.772 2.966 . 0 0 "[ . 1 .]" 1
371 1 25 LYS H 1 25 LYS QB 2.580 . 3.230 2.151 2.069 2.294 . 0 0 "[ . 1 .]" 1
372 1 25 LYS H 1 25 LYS QD 4.280 . 5.350 4.273 3.615 4.730 . 0 0 "[ . 1 .]" 1
373 1 25 LYS H 1 25 LYS QG 3.360 . 4.190 3.785 3.705 3.864 . 0 0 "[ . 1 .]" 1
374 1 25 LYS H 1 26 TYR H 3.020 2.270 3.780 2.738 2.263 3.221 0.007 6 0 "[ . 1 .]" 1
375 1 25 LYS H 1 26 TYR QB 5.220 . 6.520 4.086 3.596 4.761 . 0 0 "[ . 1 .]" 1
376 1 25 LYS H 1 26 TYR QD 5.170 . 6.470 4.632 2.912 5.708 . 0 0 "[ . 1 .]" 1
377 1 25 LYS HA 1 25 LYS QG 3.270 . 4.090 1.923 1.839 2.023 . 0 0 "[ . 1 .]" 1
378 1 25 LYS HA 1 26 TYR H 3.260 2.440 4.070 3.353 2.595 3.581 . 0 0 "[ . 1 .]" 1
379 1 25 LYS HA 1 28 ALA H 3.210 2.410 4.010 3.771 3.514 4.079 0.069 11 0 "[ . 1 .]" 1
380 1 25 LYS HA 1 28 ALA MB 3.620 . 4.520 3.204 2.410 3.711 . 0 0 "[ . 1 .]" 1
381 1 25 LYS HA 1 29 ASN QD 3.420 . 4.270 2.830 2.145 3.244 . 0 0 "[ . 1 .]" 1
382 1 25 LYS QB 1 26 TYR H 3.040 . 3.790 2.606 1.875 3.621 . 0 0 "[ . 1 .]" 1
383 1 25 LYS QB 1 26 TYR QD 4.440 . 5.550 3.026 2.594 3.790 . 0 0 "[ . 1 .]" 1
384 1 25 LYS QD 1 26 TYR QD 5.410 . 6.760 5.196 4.773 5.396 . 0 0 "[ . 1 .]" 1
385 1 25 LYS QD 1 29 ASN QD 3.800 . 4.750 3.689 3.037 3.785 . 0 0 "[ . 1 .]" 1
386 1 25 LYS QG 1 26 TYR H 3.660 . 4.580 4.024 3.593 4.237 . 0 0 "[ . 1 .]" 1
387 1 25 LYS QG 1 26 TYR QD 4.410 . 5.510 4.301 3.999 4.439 . 0 0 "[ . 1 .]" 1
388 1 25 LYS QG 1 29 ASN QD 3.420 . 4.280 2.323 1.806 2.719 . 0 0 "[ . 1 .]" 1
389 1 26 TYR H 1 26 TYR HA 3.140 2.360 3.930 2.830 2.655 2.989 . 0 0 "[ . 1 .]" 1
390 1 26 TYR H 1 26 TYR QB 2.790 . 3.490 2.145 1.869 2.413 . 0 0 "[ . 1 .]" 1
391 1 26 TYR H 1 26 TYR QD 3.410 . 4.260 2.815 2.448 3.397 . 0 0 "[ . 1 .]" 1
392 1 26 TYR H 1 27 ARG H 2.900 2.180 3.630 2.883 2.140 3.399 0.040 10 0 "[ . 1 .]" 1
393 1 26 TYR HA 1 26 TYR QD 2.850 . 3.560 1.983 1.763 2.801 0.037 12 0 "[ . 1 .]" 1
394 1 26 TYR HA 1 26 TYR QE 3.430 . 4.290 3.987 3.947 4.085 . 0 0 "[ . 1 .]" 1
395 1 26 TYR HA 1 29 ASN QB 3.870 . 4.830 3.845 2.587 4.307 . 0 0 "[ . 1 .]" 1
396 1 26 TYR QB 1 26 TYR QD 2.700 . 3.370 2.278 2.128 2.364 . 0 0 "[ . 1 .]" 1
397 1 26 TYR QB 1 27 ARG H 3.420 . 4.270 2.483 1.978 3.350 . 0 0 "[ . 1 .]" 1
398 1 26 TYR QB 1 30 CYS H 4.710 . 5.890 4.941 4.431 5.302 . 0 0 "[ . 1 .]" 1
399 1 26 TYR QD 1 27 ARG H 4.620 . 5.780 4.374 3.933 4.762 . 0 0 "[ . 1 .]" 1
400 1 26 TYR QD 1 29 ASN QB 4.170 . 5.210 4.092 3.771 4.229 . 0 0 "[ . 1 .]" 1
401 1 26 TYR QD 1 30 CYS QB 4.250 . 5.310 3.780 3.250 4.258 . 0 0 "[ . 1 .]" 1
402 1 27 ARG H 1 27 ARG HA 2.840 2.130 3.550 2.870 2.754 2.978 . 0 0 "[ . 1 .]" 1
403 1 27 ARG H 1 27 ARG QB 2.540 . 3.180 2.276 2.059 2.629 . 0 0 "[ . 1 .]" 1
404 1 27 ARG H 1 27 ARG QD 3.670 . 4.590 4.060 3.840 4.121 . 0 0 "[ . 1 .]" 1
405 1 27 ARG H 1 27 ARG QG 2.970 . 3.710 2.669 2.377 3.027 . 0 0 "[ . 1 .]" 1
406 1 27 ARG H 1 28 ALA H 2.810 2.100 3.510 2.591 2.055 3.266 0.045 3 0 "[ . 1 .]" 1
407 1 27 ARG H 1 29 ASN H 4.640 3.480 5.800 4.268 3.451 5.210 0.029 3 0 "[ . 1 .]" 1
408 1 27 ARG H 1 36 LEU QD 4.220 . 5.270 3.932 3.815 3.982 . 0 0 "[ . 1 .]" 1
409 1 27 ARG HA 1 27 ARG QG 3.180 . 3.970 3.248 3.190 3.308 . 0 0 "[ . 1 .]" 1
410 1 27 ARG HA 1 28 ALA H 3.520 2.640 4.400 3.553 3.484 3.609 . 0 0 "[ . 1 .]" 1
411 1 27 ARG HA 1 36 LEU QD 3.620 . 4.520 1.840 1.740 2.053 0.060 5 0 "[ . 1 .]" 1
412 1 27 ARG QB 1 27 ARG HE 2.900 . 3.630 2.632 1.800 3.243 . 0 0 "[ . 1 .]" 1
413 1 27 ARG QB 1 27 ARG QH2 3.720 . 4.660 4.032 2.719 4.894 0.234 10 0 "[ . 1 .]" 1
414 1 27 ARG QB 1 28 ALA H 2.890 . 3.620 3.236 3.175 3.270 . 0 0 "[ . 1 .]" 1
415 1 27 ARG QD 1 27 ARG HE 2.610 . 3.270 2.437 2.236 2.536 . 0 0 "[ . 1 .]" 1
416 1 27 ARG QD 1 27 ARG QH2 3.150 . 3.930 3.179 2.852 3.711 . 0 0 "[ . 1 .]" 1
417 1 27 ARG HE 1 27 ARG QG 3.320 . 4.150 2.613 2.033 3.344 . 0 0 "[ . 1 .]" 1
418 1 27 ARG HE 1 27 ARG QH2 3.120 . 3.900 2.577 2.265 2.773 . 0 0 "[ . 1 .]" 1
419 1 27 ARG HE 1 36 LEU QD 4.140 . 5.170 2.788 1.893 3.845 . 0 0 "[ . 1 .]" 1
420 1 27 ARG QG 1 27 ARG QH2 4.310 . 5.390 3.740 2.699 4.161 . 0 0 "[ . 1 .]" 1
421 1 27 ARG QG 1 36 LEU HB3 3.330 . 4.160 3.763 3.735 3.798 . 0 0 "[ . 1 .]" 1
422 1 27 ARG QG 1 36 LEU QD 4.190 . 5.240 2.614 2.122 3.100 . 0 0 "[ . 1 .]" 1
423 1 27 ARG QH2 1 36 LEU QD 4.170 . 5.210 3.037 1.959 4.310 . 0 0 "[ . 1 .]" 1
424 1 28 ALA H 1 28 ALA HA 2.770 2.080 3.460 2.929 2.846 2.971 . 0 0 "[ . 1 .]" 1
425 1 28 ALA H 1 28 ALA MB 2.890 . 3.610 2.219 2.093 2.334 . 0 0 "[ . 1 .]" 1
426 1 28 ALA H 1 29 ASN H 2.910 2.180 3.640 2.719 2.443 3.342 . 0 0 "[ . 1 .]" 1
427 1 28 ALA H 1 29 ASN QD 5.200 . 6.500 4.755 4.234 5.235 . 0 0 "[ . 1 .]" 1
428 1 28 ALA H 1 30 CYS H 4.160 3.120 5.200 3.668 3.353 4.016 . 0 0 "[ . 1 .]" 1
429 1 28 ALA HA 1 29 ASN H 3.140 2.360 3.930 3.580 3.264 3.648 . 0 0 "[ . 1 .]" 1
430 1 28 ALA HA 1 31 ALA MB 3.650 . 4.560 2.619 2.019 3.077 . 0 0 "[ . 1 .]" 1
431 1 28 ALA MB 1 29 ASN H 3.060 . 3.820 2.253 1.837 3.227 . 0 0 "[ . 1 .]" 1
432 1 28 ALA MB 1 29 ASN QD 3.440 . 4.300 2.866 2.289 3.209 . 0 0 "[ . 1 .]" 1
433 1 29 ASN H 1 29 ASN QB 3.150 . 3.940 2.293 2.131 2.514 . 0 0 "[ . 1 .]" 1
434 1 29 ASN H 1 30 CYS H 2.460 . 3.070 2.743 1.913 3.082 0.012 13 0 "[ . 1 .]" 1
435 1 29 ASN H 1 31 ALA H 4.130 3.100 5.160 4.655 3.638 5.169 0.009 7 0 "[ . 1 .]" 1
436 1 29 ASN QB 1 29 ASN QD 2.890 . 3.610 2.536 2.086 2.748 . 0 0 "[ . 1 .]" 1
437 1 29 ASN QB 1 30 CYS HA 4.800 . 6.000 4.274 3.919 4.670 . 0 0 "[ . 1 .]" 1
438 1 29 ASN QD 1 30 CYS H 4.690 . 5.860 4.598 3.718 5.269 . 0 0 "[ . 1 .]" 1
439 1 30 CYS H 1 30 CYS HA 3.210 2.410 4.020 2.975 2.942 2.992 . 0 0 "[ . 1 .]" 1
440 1 30 CYS H 1 30 CYS QB 2.500 . 3.120 2.589 2.370 2.792 . 0 0 "[ . 1 .]" 1
441 1 30 CYS H 1 31 ALA H 2.970 2.230 3.710 2.682 2.201 3.483 0.029 11 0 "[ . 1 .]" 1
442 1 30 CYS HA 1 30 CYS QB 2.660 . 3.320 2.417 2.333 2.472 . 0 0 "[ . 1 .]" 1
443 1 30 CYS HA 1 31 ALA H 3.020 2.260 3.770 2.613 2.375 2.833 . 0 0 "[ . 1 .]" 1
444 1 30 CYS HA 1 31 ALA MB 4.650 . 5.810 4.291 4.141 4.444 . 0 0 "[ . 1 .]" 1
445 1 30 CYS HA 1 32 LYS H 3.990 2.990 4.990 2.983 2.945 3.025 0.045 11 0 "[ . 1 .]" 1
446 1 30 CYS HA 1 33 THR H 4.210 3.150 5.260 3.666 3.036 4.029 0.114 3 0 "[ . 1 .]" 1
447 1 30 CYS HA 1 33 THR HB 3.490 2.620 4.370 4.012 3.550 4.399 0.029 8 0 "[ . 1 .]" 1
448 1 30 CYS HA 1 33 THR MG 4.700 . 5.870 4.619 3.897 4.978 . 0 0 "[ . 1 .]" 1
449 1 30 CYS HA 1 34 CYS H 4.410 3.310 5.510 5.128 4.437 5.630 0.120 3 0 "[ . 1 .]" 1
450 1 30 CYS QB 1 31 ALA H 3.840 . 4.800 3.847 3.782 3.922 . 0 0 "[ . 1 .]" 1
451 1 30 CYS QB 1 33 THR H 3.740 . 4.670 3.697 3.260 3.875 . 0 0 "[ . 1 .]" 1
452 1 30 CYS QB 1 33 THR HB 2.700 . 3.370 2.805 2.051 3.048 . 0 0 "[ . 1 .]" 1
453 1 30 CYS QB 1 33 THR MG 3.920 . 4.900 2.892 2.058 3.658 . 0 0 "[ . 1 .]" 1
454 1 30 CYS QB 1 34 CYS H 4.680 . 5.850 4.350 3.675 4.735 . 0 0 "[ . 1 .]" 1
455 1 31 ALA H 1 31 ALA HA 2.870 2.150 3.580 2.894 2.827 2.967 . 0 0 "[ . 1 .]" 1
456 1 31 ALA H 1 31 ALA MB 2.970 . 3.710 2.031 1.915 2.180 . 0 0 "[ . 1 .]" 1
457 1 31 ALA H 1 32 LYS H 3.040 2.280 3.800 2.518 2.285 2.731 . 0 0 "[ . 1 .]" 1
458 1 31 ALA H 1 32 LYS QB 3.940 . 4.930 4.084 3.771 4.275 . 0 0 "[ . 1 .]" 1
459 1 31 ALA H 1 34 CYS HB3 4.760 3.570 5.950 5.591 4.462 6.044 0.094 11 0 "[ . 1 .]" 1
460 1 31 ALA H 1 36 LEU QD 4.810 . 6.010 4.401 4.027 4.488 . 0 0 "[ . 1 .]" 1
461 1 31 ALA HA 1 32 LYS H 3.300 2.480 4.130 3.360 3.311 3.447 . 0 0 "[ . 1 .]" 1
462 1 31 ALA HA 1 34 CYS HB2 3.050 2.290 3.820 3.881 3.522 3.977 0.157 7 0 "[ . 1 .]" 1
463 1 31 ALA HA 1 34 CYS HB3 2.790 2.090 3.480 3.006 2.391 3.463 . 0 0 "[ . 1 .]" 1
464 1 31 ALA HA 1 36 LEU H 3.250 2.430 4.060 2.410 2.303 2.673 0.127 12 0 "[ . 1 .]" 1
465 1 31 ALA HA 1 36 LEU HB2 2.670 . 3.340 1.878 1.862 1.927 0.138 14 0 "[ . 1 .]" 1
466 1 31 ALA HA 1 36 LEU HB3 2.750 2.060 3.430 3.565 3.540 3.581 0.151 8 0 "[ . 1 .]" 1
467 1 31 ALA HA 1 36 LEU QD 3.600 . 4.510 2.547 1.987 3.018 . 0 0 "[ . 1 .]" 1
468 1 31 ALA MB 1 32 LYS H 3.680 . 4.600 3.192 2.961 3.274 . 0 0 "[ . 1 .]" 1
469 1 32 LYS H 1 32 LYS HA 2.920 2.190 3.650 2.950 2.936 2.962 . 0 0 "[ . 1 .]" 1
470 1 32 LYS H 1 32 LYS QB 2.550 . 3.180 2.129 2.031 2.380 . 0 0 "[ . 1 .]" 1
471 1 32 LYS H 1 33 THR H 2.710 2.040 3.390 2.118 2.013 2.192 0.027 11 0 "[ . 1 .]" 1
472 1 32 LYS H 1 33 THR HB 3.970 2.970 4.960 3.986 3.619 4.689 . 0 0 "[ . 1 .]" 1
473 1 32 LYS H 1 34 CYS H 3.820 2.860 4.770 3.616 3.303 4.471 . 0 0 "[ . 1 .]" 1
474 1 32 LYS HA 1 32 LYS QB 2.360 . 2.950 2.194 2.173 2.227 . 0 0 "[ . 1 .]" 1
475 1 32 LYS HA 1 33 THR H 3.560 2.670 4.450 3.437 3.385 3.467 . 0 0 "[ . 1 .]" 1
476 1 32 LYS QB 1 32 LYS QE 3.390 . 4.240 3.402 3.376 3.456 . 0 0 "[ . 1 .]" 1
477 1 32 LYS QB 1 33 THR H 2.740 . 3.420 3.041 2.784 3.161 . 0 0 "[ . 1 .]" 1
478 1 32 LYS QB 1 34 CYS H 5.590 . 6.980 4.833 4.551 5.034 . 0 0 "[ . 1 .]" 1
479 1 32 LYS QB 1 37 CYS H 4.870 . 6.090 5.482 5.465 5.501 . 0 0 "[ . 1 .]" 1
480 1 33 THR H 1 33 THR HA 2.920 2.190 3.650 2.942 2.895 2.982 . 0 0 "[ . 1 .]" 1
481 1 33 THR H 1 33 THR HB 2.710 2.040 3.390 2.240 1.922 2.783 0.118 5 0 "[ . 1 .]" 1
482 1 33 THR H 1 33 THR MG 3.800 . 4.750 3.300 2.945 3.851 . 0 0 "[ . 1 .]" 1
483 1 33 THR H 1 34 CYS H 2.970 2.230 3.710 2.374 2.207 2.816 0.023 2 0 "[ . 1 .]" 1
484 1 33 THR H 1 35 GLU H 4.050 3.040 5.070 3.542 3.342 3.706 . 0 0 "[ . 1 .]" 1
485 1 33 THR HA 1 33 THR HB 2.600 . 3.250 2.882 2.762 3.019 . 0 0 "[ . 1 .]" 1
486 1 33 THR HA 1 33 THR MG 2.850 . 3.560 2.665 2.074 3.086 . 0 0 "[ . 1 .]" 1
487 1 33 THR HA 1 34 CYS H 2.980 2.240 3.730 3.397 2.395 3.534 . 0 0 "[ . 1 .]" 1
488 1 33 THR HA 1 35 GLU H 3.340 2.500 4.170 4.202 4.055 4.276 0.106 11 0 "[ . 1 .]" 1
489 1 33 THR HB 1 34 CYS H 3.040 2.280 3.800 3.246 2.465 3.979 0.179 3 0 "[ . 1 .]" 1
490 1 33 THR MG 1 34 CYS H 4.070 . 5.080 3.232 2.598 4.184 . 0 0 "[ . 1 .]" 1
491 1 33 THR MG 1 34 CYS HA 4.380 . 5.470 3.792 3.208 4.594 . 0 0 "[ . 1 .]" 1
492 1 33 THR MG 1 35 GLU H 5.180 . 6.470 4.758 4.326 5.408 . 0 0 "[ . 1 .]" 1
493 1 34 CYS H 1 34 CYS HA 3.080 2.310 3.840 2.981 2.876 3.011 . 0 0 "[ . 1 .]" 1
494 1 34 CYS H 1 34 CYS HB2 2.740 2.060 3.430 2.693 2.056 3.437 0.007 3 0 "[ . 1 .]" 1
495 1 34 CYS H 1 34 CYS HB3 2.530 . 3.160 2.859 2.474 3.197 0.037 3 0 "[ . 1 .]" 1
496 1 34 CYS H 1 35 GLU H 2.870 2.150 3.590 2.087 1.948 2.241 0.202 3 0 "[ . 1 .]" 1
497 1 34 CYS H 1 35 GLU HA 3.680 2.760 4.590 4.298 3.929 4.468 . 0 0 "[ . 1 .]" 1
498 1 34 CYS H 1 35 GLU QB 4.680 . 5.850 4.848 4.037 5.013 . 0 0 "[ . 1 .]" 1
499 1 34 CYS H 1 35 GLU QG 3.560 . 4.450 4.024 3.994 4.045 . 0 0 "[ . 1 .]" 1
500 1 34 CYS H 1 36 LEU QD 5.130 . 6.420 3.862 3.443 4.778 . 0 0 "[ . 1 .]" 1
501 1 34 CYS H 1 36 LEU HG 3.750 2.810 4.680 4.211 3.550 4.598 . 0 0 "[ . 1 .]" 1
502 1 34 CYS HA 1 34 CYS HB2 2.630 . 3.280 2.633 2.499 2.763 . 0 0 "[ . 1 .]" 1
503 1 34 CYS HA 1 34 CYS HB3 2.810 2.110 3.510 2.984 2.910 3.033 . 0 0 "[ . 1 .]" 1
504 1 34 CYS HA 1 35 GLU H 3.570 2.680 4.460 3.380 3.283 3.532 . 0 0 "[ . 1 .]" 1
505 1 34 CYS HB2 1 36 LEU H 3.960 2.970 4.950 4.428 4.206 4.961 0.011 3 0 "[ . 1 .]" 1
506 1 34 CYS HB2 1 36 LEU QD 3.670 . 4.580 2.635 2.268 3.173 . 0 0 "[ . 1 .]" 1
507 1 34 CYS HB2 1 36 LEU HG 2.680 2.010 3.350 3.470 3.357 3.550 0.200 10 0 "[ . 1 .]" 1
508 1 34 CYS HB3 1 35 GLU H 3.600 2.700 4.500 3.358 2.695 3.630 0.005 3 0 "[ . 1 .]" 1
509 1 34 CYS HB3 1 36 LEU H 3.620 2.710 4.520 2.993 2.663 3.945 0.047 13 0 "[ . 1 .]" 1
510 1 34 CYS HB3 1 36 LEU QD 3.610 . 4.520 1.995 1.808 2.586 . 0 0 "[ . 1 .]" 1
511 1 34 CYS HB3 1 36 LEU HG 2.620 . 3.270 1.867 1.843 1.925 0.117 1 0 "[ . 1 .]" 1
512 1 35 GLU H 1 35 GLU HA 2.260 . 2.820 2.283 2.265 2.297 . 0 0 "[ . 1 .]" 1
513 1 35 GLU H 1 35 GLU QB 3.300 . 4.130 3.296 3.228 3.336 . 0 0 "[ . 1 .]" 1
514 1 35 GLU H 1 35 GLU QG 2.970 . 3.710 2.450 2.241 3.220 . 0 0 "[ . 1 .]" 1
515 1 35 GLU H 1 36 LEU H 2.830 2.120 3.530 2.483 2.344 2.666 . 0 0 "[ . 1 .]" 1
516 1 35 GLU H 1 36 LEU HB2 7.000 . 8.750 4.490 4.328 4.835 . 0 0 "[ . 1 .]" 1
517 1 35 GLU H 1 36 LEU HB3 4.770 3.580 5.970 5.931 5.727 6.020 0.050 4 0 "[ . 1 .]" 1
518 1 35 GLU H 1 36 LEU QD 6.530 . 8.170 4.236 3.622 4.565 . 0 0 "[ . 1 .]" 1
519 1 35 GLU H 1 37 CYS H 3.800 2.850 4.750 3.913 3.736 4.085 . 0 0 "[ . 1 .]" 1
520 1 35 GLU HA 1 35 GLU QB 2.610 . 3.270 2.421 2.395 2.540 . 0 0 "[ . 1 .]" 1
521 1 35 GLU HA 1 35 GLU QG 2.620 . 3.280 2.093 1.987 2.149 . 0 0 "[ . 1 .]" 1
522 1 35 GLU HA 1 36 LEU H 2.670 2.010 3.340 2.709 2.274 2.824 . 0 0 "[ . 1 .]" 1
523 1 35 GLU HA 1 37 CYS H 3.050 2.280 3.810 2.885 2.816 3.079 . 0 0 "[ . 1 .]" 1
524 1 35 GLU QB 1 36 LEU H 3.970 . 4.960 3.806 3.743 3.866 . 0 0 "[ . 1 .]" 1
525 1 35 GLU QB 1 37 CYS H 4.620 . 5.770 4.440 4.266 4.826 . 0 0 "[ . 1 .]" 1
526 1 35 GLU QG 1 36 LEU H 4.140 . 5.180 4.089 3.942 4.157 . 0 0 "[ . 1 .]" 1
527 1 35 GLU QG 1 37 CYS H 4.020 . 5.030 4.590 4.539 4.614 . 0 0 "[ . 1 .]" 1
528 1 36 LEU H 1 36 LEU HA 3.060 2.290 3.820 2.948 2.936 2.987 . 0 0 "[ . 1 .]" 1
529 1 36 LEU H 1 36 LEU HB2 2.600 . 3.250 2.333 2.185 2.800 . 0 0 "[ . 1 .]" 1
530 1 36 LEU H 1 36 LEU HB3 3.030 2.270 3.780 3.597 3.525 3.792 0.012 15 0 "[ . 1 .]" 1
531 1 36 LEU H 1 36 LEU QD 4.030 . 5.040 3.129 2.959 3.295 . 0 0 "[ . 1 .]" 1
532 1 36 LEU H 1 36 LEU HG 2.650 . 3.320 2.447 2.296 2.674 . 0 0 "[ . 1 .]" 1
533 1 36 LEU H 1 37 CYS H 2.560 . 3.190 2.263 1.868 2.427 0.052 15 0 "[ . 1 .]" 1
534 1 36 LEU HA 1 36 LEU HB2 2.300 . 2.880 3.002 2.992 3.009 0.129 12 0 "[ . 1 .]" 1
535 1 36 LEU HA 1 36 LEU HB3 2.320 . 2.900 2.569 2.390 2.638 . 0 0 "[ . 1 .]" 1
536 1 36 LEU HA 1 36 LEU QD 3.110 . 3.890 2.056 1.849 2.389 . 0 0 "[ . 1 .]" 1
537 1 36 LEU HA 1 36 LEU HG 2.680 2.010 3.360 2.841 2.590 3.366 0.006 15 0 "[ . 1 .]" 1
538 1 36 LEU HA 1 37 CYS H 3.030 2.270 3.790 3.427 3.377 3.484 . 0 0 "[ . 1 .]" 1
539 1 36 LEU HB2 1 36 LEU QD 3.110 . 3.880 2.239 2.023 2.435 . 0 0 "[ . 1 .]" 1
540 1 36 LEU HB2 1 37 CYS H 3.910 2.930 4.890 3.298 3.121 3.522 . 0 0 "[ . 1 .]" 1
541 1 36 LEU HB3 1 36 LEU QD 3.020 . 3.780 2.084 1.996 2.143 . 0 0 "[ . 1 .]" 1
542 1 36 LEU HB3 1 37 CYS H 3.890 2.920 4.860 4.220 4.001 4.515 . 0 0 "[ . 1 .]" 1
543 1 36 LEU QD 1 37 CYS H 5.200 . 6.500 4.303 4.043 4.367 . 0 0 "[ . 1 .]" 1
544 1 36 LEU HG 1 37 CYS H 3.510 2.630 4.390 4.425 4.039 4.530 0.140 7 0 "[ . 1 .]" 1
545 1 37 CYS H 1 37 CYS HA 3.160 2.370 3.950 2.862 2.766 2.967 . 0 0 "[ . 1 .]" 1
546 1 37 CYS H 1 37 CYS QB 3.190 . 3.980 2.413 2.060 3.049 . 0 0 "[ . 1 .]" 1
547 1 37 CYS HA 1 37 CYS QB 2.600 . 3.250 2.334 2.169 2.531 . 0 0 "[ . 1 .]" 1
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