NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432593 |
2jsx   |
15381 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jsx
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 1279
_Distance_constraint_stats_list.Viol_count 1267
_Distance_constraint_stats_list.Viol_total 1254.629
_Distance_constraint_stats_list.Viol_max 0.463
_Distance_constraint_stats_list.Viol_rms 0.0153
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0495
_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 3 THR 0.015 0.015 5 0 "[ . 1 . 2]"
1 4 ASN 0.695 0.102 14 0 "[ . 1 . 2]"
1 5 TRP 3.427 0.154 4 0 "[ . 1 . 2]"
1 6 GLN 1.486 0.106 4 0 "[ . 1 . 2]"
1 7 VAL 0.690 0.070 19 0 "[ . 1 . 2]"
1 8 CYS 0.627 0.105 3 0 "[ . 1 . 2]"
1 9 SER 1.525 0.071 7 0 "[ . 1 . 2]"
1 10 LEU 2.851 0.101 20 0 "[ . 1 . 2]"
1 11 VAL 1.319 0.080 2 0 "[ . 1 . 2]"
1 12 VAL 1.784 0.194 17 0 "[ . 1 . 2]"
1 13 GLN 2.389 0.194 17 0 "[ . 1 . 2]"
1 14 ALA 0.210 0.117 13 0 "[ . 1 . 2]"
1 15 LYS 2.201 0.151 19 0 "[ . 1 . 2]"
1 16 SER 0.356 0.060 12 0 "[ . 1 . 2]"
1 17 GLU 0.660 0.151 19 0 "[ . 1 . 2]"
1 18 ARG 3.050 0.163 10 0 "[ . 1 . 2]"
1 19 ILE 1.071 0.071 17 0 "[ . 1 . 2]"
1 20 SER 0.120 0.043 13 0 "[ . 1 . 2]"
1 21 ASP 0.101 0.052 18 0 "[ . 1 . 2]"
1 22 ILE 3.147 0.463 19 0 "[ . 1 . 2]"
1 23 SER 0.580 0.047 19 0 "[ . 1 . 2]"
1 24 THR 2.505 0.130 14 0 "[ . 1 . 2]"
1 25 GLN 5.532 0.202 17 0 "[ . 1 . 2]"
1 26 LEU 5.477 0.152 1 0 "[ . 1 . 2]"
1 27 ASN 1.951 0.132 3 0 "[ . 1 . 2]"
1 28 ALA 0.484 0.068 16 0 "[ . 1 . 2]"
1 29 PHE 5.972 0.210 13 0 "[ . 1 . 2]"
1 30 PRO 0.857 0.191 15 0 "[ . 1 . 2]"
1 31 GLY 0.191 0.191 15 0 "[ . 1 . 2]"
1 32 CYS 2.270 0.105 10 0 "[ . 1 . 2]"
1 33 GLU 1.460 0.125 15 0 "[ . 1 . 2]"
1 34 VAL 1.527 0.125 15 0 "[ . 1 . 2]"
1 35 ALA 0.050 0.032 17 0 "[ . 1 . 2]"
1 36 VAL 0.313 0.069 7 0 "[ . 1 . 2]"
1 37 SER 0.766 0.087 16 0 "[ . 1 . 2]"
1 38 ASP 3.410 0.148 17 0 "[ . 1 . 2]"
1 39 ALA 0.111 0.036 17 0 "[ . 1 . 2]"
1 40 PRO 2.629 0.148 17 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.055 0.045 16 0 "[ . 1 . 2]"
1 43 GLN 1.963 0.099 5 0 "[ . 1 . 2]"
1 44 LEU 1.418 0.087 16 0 "[ . 1 . 2]"
1 45 ILE 1.026 0.070 8 0 "[ . 1 . 2]"
1 46 VAL 3.778 0.142 4 0 "[ . 1 . 2]"
1 47 VAL 0.436 0.067 6 0 "[ . 1 . 2]"
1 48 VAL 0.941 0.070 19 0 "[ . 1 . 2]"
1 49 GLU 1.322 0.154 4 0 "[ . 1 . 2]"
1 50 ALA 0.759 0.106 4 0 "[ . 1 . 2]"
1 51 GLU 0.548 0.063 6 0 "[ . 1 . 2]"
1 52 ASP 0.323 0.068 16 0 "[ . 1 . 2]"
1 53 SER 0.053 0.029 16 0 "[ . 1 . 2]"
1 54 GLU 1.395 0.154 12 0 "[ . 1 . 2]"
1 55 THR 0.947 0.068 16 0 "[ . 1 . 2]"
1 56 LEU 0.140 0.034 3 0 "[ . 1 . 2]"
1 57 ILE 0.401 0.075 5 0 "[ . 1 . 2]"
1 58 GLN 0.439 0.136 16 0 "[ . 1 . 2]"
1 59 THR 0.255 0.053 13 0 "[ . 1 . 2]"
1 60 ILE 0.247 0.053 13 0 "[ . 1 . 2]"
1 61 GLU 0.041 0.018 6 0 "[ . 1 . 2]"
1 62 SER 3.729 0.143 14 0 "[ . 1 . 2]"
1 63 VAL 2.642 0.143 14 0 "[ . 1 . 2]"
1 64 ARG 0.282 0.083 18 0 "[ . 1 . 2]"
1 65 ASN 1.059 0.055 12 0 "[ . 1 . 2]"
1 66 VAL 4.984 0.277 10 0 "[ . 1 . 2]"
1 67 GLU 6.996 0.277 10 0 "[ . 1 . 2]"
1 68 GLY 1.573 0.151 19 0 "[ . 1 . 2]"
1 69 VAL 6.033 0.463 19 0 "[ . 1 . 2]"
1 70 LEU 1.828 0.099 2 0 "[ . 1 . 2]"
1 71 ALA 0.951 0.120 8 0 "[ . 1 . 2]"
1 72 VAL 2.728 0.194 17 0 "[ . 1 . 2]"
1 73 SER 1.169 0.120 8 0 "[ . 1 . 2]"
1 74 LEU 1.883 0.120 8 0 "[ . 1 . 2]"
1 75 VAL 2.411 0.127 18 0 "[ . 1 . 2]"
1 76 TYR 1.397 0.127 18 0 "[ . 1 . 2]"
1 77 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.582 0.066 16 0 "[ . 1 . 2]"
1 82 GLN 0.582 0.066 16 0 "[ . 1 . 2]"
1 83 GLY 0.155 0.056 12 0 "[ . 1 . 2]"
1 84 GLU 0.155 0.056 12 0 "[ . 1 . 2]"
1 85 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.529 0.100 19 0 "[ . 1 . 2]"
1 87 PRO 0.871 0.125 8 0 "[ . 1 . 2]"
1 88 ARG 0.342 0.125 8 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 3 THR HB 1 4 ASN HA 5.070 . 5.070 4.627 4.309 5.085 0.015 5 0 "[ . 1 . 2]" 1
2 1 4 ASN HA 1 4 ASN HD21 3.860 . 3.860 2.662 1.745 3.589 . 0 0 "[ . 1 . 2]" 1
3 1 4 ASN HA 1 4 ASN HD22 3.940 . 3.940 3.787 3.352 4.020 0.080 9 0 "[ . 1 . 2]" 1
4 1 4 ASN HA 1 5 TRP H 2.600 . 2.600 2.108 1.989 2.501 . 0 0 "[ . 1 . 2]" 1
5 1 4 ASN HA 1 5 TRP HE1 5.060 . 5.060 5.036 4.358 5.162 0.102 14 0 "[ . 1 . 2]" 1
6 1 4 ASN HB2 1 4 ASN HD22 4.260 . 4.260 3.801 3.463 4.071 . 0 0 "[ . 1 . 2]" 1
7 1 5 TRP H 1 5 TRP HD1 4.580 . 4.580 2.123 1.646 3.282 . 0 0 "[ . 1 . 2]" 1
8 1 5 TRP H 1 6 GLN H 4.940 . 4.940 4.449 4.240 4.585 . 0 0 "[ . 1 . 2]" 1
9 1 5 TRP HA 1 5 TRP HD1 4.610 . 4.610 4.021 3.898 4.396 . 0 0 "[ . 1 . 2]" 1
10 1 5 TRP HA 1 6 GLN HG3 4.600 . 4.600 4.220 3.328 4.685 0.085 5 0 "[ . 1 . 2]" 1
11 1 5 TRP HB2 1 6 GLN H 4.810 . 4.810 2.447 1.961 3.346 . 0 0 "[ . 1 . 2]" 1
12 1 5 TRP HB3 1 5 TRP HE3 3.840 . 3.840 3.270 2.596 3.991 0.151 2 0 "[ . 1 . 2]" 1
13 1 5 TRP HB3 1 6 GLN H 4.400 . 4.400 3.606 3.349 4.043 . 0 0 "[ . 1 . 2]" 1
14 1 5 TRP HB3 1 49 GLU QG 5.510 . 5.510 4.063 3.615 5.042 . 0 0 "[ . 1 . 2]" 1
15 1 5 TRP HB3 1 50 ALA H 5.620 . 5.620 4.812 3.928 5.626 0.006 19 0 "[ . 1 . 2]" 1
16 1 5 TRP HE1 1 6 GLN HB3 5.240 . 5.240 5.007 4.107 5.268 0.028 14 0 "[ . 1 . 2]" 1
17 1 5 TRP HE3 1 49 GLU QB 4.840 . 4.840 3.164 2.283 3.574 . 0 0 "[ . 1 . 2]" 1
18 1 5 TRP HE3 1 6 GLN H 5.480 . 5.480 4.610 3.371 5.463 . 0 0 "[ . 1 . 2]" 1
19 1 5 TRP HE3 1 6 GLN H 5.030 . 5.030 3.547 2.779 4.416 . 0 0 "[ . 1 . 2]" 1
20 1 5 TRP HE3 1 6 GLN HA 4.600 . 4.600 3.047 2.443 3.765 . 0 0 "[ . 1 . 2]" 1
21 1 5 TRP HE3 1 7 VAL MG1 5.230 . 5.230 4.463 2.153 5.271 0.041 9 0 "[ . 1 . 2]" 1
22 1 5 TRP HE3 1 49 GLU QB 3.900 . 3.900 3.256 2.286 3.778 . 0 0 "[ . 1 . 2]" 1
23 1 5 TRP HE3 1 49 GLU QG 4.020 . 4.020 3.782 3.025 4.174 0.154 4 0 "[ . 1 . 2]" 1
24 1 5 TRP HE3 1 50 ALA H 5.350 . 5.350 3.898 3.430 4.539 . 0 0 "[ . 1 . 2]" 1
25 1 5 TRP HE3 1 50 ALA H 5.180 . 5.180 3.838 3.409 4.406 . 0 0 "[ . 1 . 2]" 1
26 1 5 TRP HE3 1 50 ALA MB 4.120 . 4.120 3.181 2.718 3.601 . 0 0 "[ . 1 . 2]" 1
27 1 5 TRP HH2 1 7 VAL QG 5.580 . 5.580 5.028 3.266 5.635 0.055 5 0 "[ . 1 . 2]" 1
28 1 5 TRP HZ2 1 7 VAL MG1 5.290 . 5.290 4.877 3.636 5.327 0.037 11 0 "[ . 1 . 2]" 1
29 1 5 TRP HZ2 1 49 GLU QG 5.480 . 5.480 4.310 2.632 5.498 0.018 11 0 "[ . 1 . 2]" 1
30 1 5 TRP HZ3 1 6 GLN HA 4.390 . 4.390 4.155 2.892 4.496 0.106 4 0 "[ . 1 . 2]" 1
31 1 5 TRP HZ3 1 49 GLU QB 5.530 . 5.530 3.673 2.439 4.792 . 0 0 "[ . 1 . 2]" 1
32 1 5 TRP HZ3 1 49 GLU QG 4.170 . 4.170 3.210 2.384 4.260 0.090 8 0 "[ . 1 . 2]" 1
33 1 6 GLN H 1 6 GLN HB2 4.400 . 4.400 3.288 2.402 3.796 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLN H 1 6 GLN HE22 5.700 . 5.700 5.288 3.229 5.790 0.090 1 0 "[ . 1 . 2]" 1
35 1 6 GLN H 1 6 GLN HG2 4.910 . 4.910 2.734 1.799 4.196 . 0 0 "[ . 1 . 2]" 1
36 1 6 GLN H 1 6 GLN HG3 4.750 . 4.750 2.581 1.969 3.595 . 0 0 "[ . 1 . 2]" 1
37 1 6 GLN H 1 7 VAL H 4.890 . 4.890 4.374 4.261 4.507 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLN H 1 50 ALA H 4.590 . 4.590 3.202 2.604 3.698 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLN H 1 50 ALA MB 5.700 . 5.700 4.400 3.713 4.914 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLN HA 1 6 GLN HG3 4.180 . 4.180 3.537 2.463 3.848 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLN HA 1 7 VAL H 3.190 . 3.190 2.158 1.984 2.416 . 0 0 "[ . 1 . 2]" 1
42 1 6 GLN HA 1 56 LEU MD2 5.700 . 5.700 4.827 4.178 5.699 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLN HB3 1 7 VAL H 4.300 . 4.300 3.606 2.868 3.936 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLN HB3 1 7 VAL H 4.840 . 4.840 3.708 2.887 4.078 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLN HE21 1 53 SER HA 5.700 . 5.700 3.435 1.963 5.667 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLN HE21 1 53 SER QB 5.520 . 5.520 4.415 3.035 5.380 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLN HE21 1 56 LEU MD2 5.370 . 5.370 3.214 1.720 5.394 0.024 4 0 "[ . 1 . 2]" 1
48 1 6 GLN HE22 1 6 GLN HG3 4.290 . 4.290 3.637 3.437 4.107 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLN HG2 1 53 SER QB 4.240 . 4.240 3.742 3.114 4.252 0.012 11 0 "[ . 1 . 2]" 1
50 1 6 GLN HG2 1 53 SER H 5.320 . 5.320 4.394 4.077 4.733 . 0 0 "[ . 1 . 2]" 1
51 1 6 GLN HG2 1 53 SER HA 5.330 . 5.330 4.613 3.416 5.359 0.029 16 0 "[ . 1 . 2]" 1
52 1 6 GLN HG2 1 53 SER HA 3.400 . 3.400 2.810 2.520 3.218 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLN HG3 1 53 SER HA 5.110 . 5.110 4.296 3.330 5.093 . 0 0 "[ . 1 . 2]" 1
54 1 6 GLN HG3 1 56 LEU MD2 5.550 . 5.550 3.224 2.068 4.739 . 0 0 "[ . 1 . 2]" 1
55 1 7 VAL H 1 7 VAL HB 3.950 . 3.950 3.730 3.183 3.839 . 0 0 "[ . 1 . 2]" 1
56 1 7 VAL H 1 7 VAL MG1 4.170 . 4.170 2.681 2.161 3.216 . 0 0 "[ . 1 . 2]" 1
57 1 7 VAL H 1 8 CYS H 5.010 . 5.010 4.374 3.884 4.484 . 0 0 "[ . 1 . 2]" 1
58 1 7 VAL HA 1 8 CYS H 3.280 . 3.280 2.210 2.074 2.323 . 0 0 "[ . 1 . 2]" 1
59 1 7 VAL HA 1 47 VAL MG1 4.080 . 4.080 3.594 3.247 3.944 . 0 0 "[ . 1 . 2]" 1
60 1 7 VAL HA 1 48 VAL H 4.140 . 4.140 4.107 3.928 4.210 0.070 19 0 "[ . 1 . 2]" 1
61 1 7 VAL HA 1 49 GLU HA 4.390 . 4.390 2.377 2.084 2.760 . 0 0 "[ . 1 . 2]" 1
62 1 7 VAL HA 1 50 ALA H 5.050 . 5.050 3.610 3.374 3.822 . 0 0 "[ . 1 . 2]" 1
63 1 7 VAL HB 1 8 CYS H 4.190 . 4.190 2.798 2.327 3.352 . 0 0 "[ . 1 . 2]" 1
64 1 7 VAL HB 1 8 CYS QB 4.630 . 4.630 3.534 2.779 4.134 . 0 0 "[ . 1 . 2]" 1
65 1 7 VAL HB 1 49 GLU QG 5.450 . 5.450 4.339 2.537 5.472 0.022 2 0 "[ . 1 . 2]" 1
66 1 7 VAL HB 1 56 LEU MD1 4.390 . 4.390 2.726 2.337 3.389 . 0 0 "[ . 1 . 2]" 1
67 1 7 VAL MG1 1 8 CYS H 4.670 . 4.670 2.956 2.122 3.251 . 0 0 "[ . 1 . 2]" 1
68 1 7 VAL MG1 1 49 GLU QG 5.030 . 5.030 2.741 1.806 3.604 . 0 0 "[ . 1 . 2]" 1
69 1 7 VAL MG1 1 49 GLU QG 4.920 . 4.920 2.820 1.760 3.682 . 0 0 "[ . 1 . 2]" 1
70 1 7 VAL MG1 1 49 GLU HA 5.510 . 5.510 2.866 2.248 4.783 . 0 0 "[ . 1 . 2]" 1
71 1 7 VAL MG2 1 8 CYS H 3.890 . 3.890 2.573 2.425 2.732 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL MG2 1 8 CYS H 3.940 . 3.940 3.497 2.678 3.951 0.011 18 0 "[ . 1 . 2]" 1
73 1 7 VAL MG2 1 8 CYS HA 3.960 . 3.960 3.291 3.140 3.624 . 0 0 "[ . 1 . 2]" 1
74 1 7 VAL MG2 1 8 CYS QB 4.210 . 4.210 3.570 2.164 3.918 . 0 0 "[ . 1 . 2]" 1
75 1 7 VAL MG2 1 50 ALA H 4.890 . 4.890 3.680 3.427 3.975 . 0 0 "[ . 1 . 2]" 1
76 1 7 VAL MG2 1 49 GLU HA 5.050 . 5.050 3.090 2.449 3.550 . 0 0 "[ . 1 . 2]" 1
77 1 8 CYS H 1 9 SER H 5.500 . 5.500 4.261 4.069 4.368 . 0 0 "[ . 1 . 2]" 1
78 1 8 CYS H 1 9 SER HA 4.690 . 4.690 3.549 3.015 3.967 . 0 0 "[ . 1 . 2]" 1
79 1 8 CYS H 1 9 SER HB2 5.200 . 5.200 4.867 4.739 5.220 0.020 6 0 "[ . 1 . 2]" 1
80 1 8 CYS H 1 47 VAL MG2 3.990 . 3.990 2.617 2.370 3.344 . 0 0 "[ . 1 . 2]" 1
81 1 8 CYS H 1 48 VAL H 4.150 . 4.150 2.878 2.705 3.072 . 0 0 "[ . 1 . 2]" 1
82 1 8 CYS H 1 48 VAL H 4.000 . 4.000 2.931 2.742 3.159 . 0 0 "[ . 1 . 2]" 1
83 1 8 CYS H 1 56 LEU MD1 5.600 . 5.600 3.539 3.042 4.337 . 0 0 "[ . 1 . 2]" 1
84 1 8 CYS HA 1 9 SER H 3.460 . 3.460 2.213 2.102 2.358 . 0 0 "[ . 1 . 2]" 1
85 1 8 CYS QB 1 9 SER H 3.590 . 3.590 2.961 2.562 3.606 0.016 17 0 "[ . 1 . 2]" 1
86 1 8 CYS QB 1 9 SER H 3.840 . 3.840 2.896 2.523 3.526 . 0 0 "[ . 1 . 2]" 1
87 1 8 CYS QB 1 47 VAL MG1 5.560 . 5.560 4.277 3.829 4.658 . 0 0 "[ . 1 . 2]" 1
88 1 8 CYS QB 1 48 VAL H 5.440 . 5.440 4.281 3.613 4.793 . 0 0 "[ . 1 . 2]" 1
89 1 8 CYS QB 1 56 LEU MD1 4.470 . 4.470 3.070 2.083 3.792 . 0 0 "[ . 1 . 2]" 1
90 1 8 CYS QB 1 56 LEU MD2 4.610 . 4.610 2.766 2.016 3.591 . 0 0 "[ . 1 . 2]" 1
91 1 8 CYS QB 1 74 LEU HA 5.160 . 5.160 3.889 1.985 4.756 . 0 0 "[ . 1 . 2]" 1
92 1 8 CYS QB 1 74 LEU QB 5.470 . 5.470 3.973 3.586 4.307 . 0 0 "[ . 1 . 2]" 1
93 1 8 CYS QB 1 74 LEU MD1 4.210 . 4.210 4.204 4.041 4.271 0.061 14 0 "[ . 1 . 2]" 1
94 1 8 CYS QB 1 74 LEU MD2 4.600 . 4.600 2.485 2.162 4.175 . 0 0 "[ . 1 . 2]" 1
95 1 8 CYS QB 1 75 VAL H 5.450 . 5.450 4.178 3.568 4.990 . 0 0 "[ . 1 . 2]" 1
96 1 8 CYS QB 1 76 TYR HB3 4.550 . 4.550 3.725 2.095 4.655 0.105 3 0 "[ . 1 . 2]" 1
97 1 9 SER H 1 9 SER HB3 3.870 . 3.870 2.535 2.373 3.695 . 0 0 "[ . 1 . 2]" 1
98 1 9 SER H 1 10 LEU H 5.150 . 5.150 4.378 4.302 4.471 . 0 0 "[ . 1 . 2]" 1
99 1 9 SER H 1 10 LEU H 5.210 . 5.210 4.050 3.985 4.139 . 0 0 "[ . 1 . 2]" 1
100 1 9 SER H 1 10 LEU HA 4.600 . 4.600 2.860 2.584 3.327 . 0 0 "[ . 1 . 2]" 1
101 1 9 SER H 1 75 VAL HB 3.710 . 3.710 2.296 2.168 2.485 . 0 0 "[ . 1 . 2]" 1
102 1 9 SER H 1 75 VAL HB 4.540 . 4.540 2.937 2.557 3.631 . 0 0 "[ . 1 . 2]" 1
103 1 9 SER H 1 75 VAL QG 4.400 . 4.400 3.194 1.788 4.092 . 0 0 "[ . 1 . 2]" 1
104 1 9 SER HA 1 47 VAL MG1 4.450 . 4.450 2.385 1.938 2.828 . 0 0 "[ . 1 . 2]" 1
105 1 9 SER HA 1 10 LEU H 3.200 . 3.200 2.146 2.053 2.259 . 0 0 "[ . 1 . 2]" 1
106 1 9 SER HA 1 10 LEU HB3 4.700 . 4.700 3.657 3.419 4.040 . 0 0 "[ . 1 . 2]" 1
107 1 9 SER HA 1 10 LEU HG 5.460 . 5.460 3.710 3.455 4.145 . 0 0 "[ . 1 . 2]" 1
108 1 9 SER HA 1 47 VAL H 5.020 . 5.020 4.207 3.981 4.444 . 0 0 "[ . 1 . 2]" 1
109 1 9 SER HA 1 46 VAL H 5.290 . 5.290 4.355 4.235 4.653 . 0 0 "[ . 1 . 2]" 1
110 1 9 SER HA 1 47 VAL HA 3.690 . 3.690 2.410 2.167 2.709 . 0 0 "[ . 1 . 2]" 1
111 1 9 SER HA 1 47 VAL MG1 4.720 . 4.720 3.537 3.271 4.078 . 0 0 "[ . 1 . 2]" 1
112 1 9 SER HA 1 47 VAL MG2 4.700 . 4.700 3.163 2.562 3.792 . 0 0 "[ . 1 . 2]" 1
113 1 9 SER HA 1 48 VAL H 5.130 . 5.130 3.470 3.148 4.175 . 0 0 "[ . 1 . 2]" 1
114 1 9 SER HA 1 48 VAL H 4.640 . 4.640 3.393 3.110 3.922 . 0 0 "[ . 1 . 2]" 1
115 1 9 SER HB2 1 10 LEU H 4.090 . 4.090 3.984 3.635 4.141 0.051 10 0 "[ . 1 . 2]" 1
116 1 9 SER HB2 1 45 ILE MD 4.960 . 4.960 4.969 4.729 5.030 0.070 8 0 "[ . 1 . 2]" 1
117 1 9 SER HB2 1 45 ILE MG 3.490 . 3.490 2.590 2.244 2.986 . 0 0 "[ . 1 . 2]" 1
118 1 9 SER HB2 1 46 VAL H 5.700 . 5.700 5.739 5.683 5.771 0.071 7 0 "[ . 1 . 2]" 1
119 1 9 SER HB2 1 47 VAL HA 4.930 . 4.930 4.102 3.779 4.997 0.067 6 0 "[ . 1 . 2]" 1
120 1 9 SER HB2 1 47 VAL MG2 5.390 . 5.390 3.222 2.735 4.989 . 0 0 "[ . 1 . 2]" 1
121 1 9 SER HB3 1 10 LEU H 4.290 . 4.290 3.999 2.869 4.300 0.010 7 0 "[ . 1 . 2]" 1
122 1 9 SER HB3 1 75 VAL HB 3.290 . 3.290 1.887 1.693 2.287 . 0 0 "[ . 1 . 2]" 1
123 1 9 SER HB3 1 45 ILE MG 3.460 . 3.460 2.383 1.931 2.714 . 0 0 "[ . 1 . 2]" 1
124 1 9 SER HB3 1 75 VAL H 5.700 . 5.700 4.266 4.073 5.265 . 0 0 "[ . 1 . 2]" 1
125 1 9 SER HB3 1 75 VAL HB 3.900 . 3.900 2.250 1.944 3.661 . 0 0 "[ . 1 . 2]" 1
126 1 9 SER HB3 1 75 VAL QG 4.500 . 4.500 2.510 1.973 3.714 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU H 1 10 LEU HB2 4.360 . 4.360 2.501 2.363 2.620 . 0 0 "[ . 1 . 2]" 1
128 1 10 LEU H 1 10 LEU HB3 4.180 . 4.180 3.681 3.603 3.749 . 0 0 "[ . 1 . 2]" 1
129 1 10 LEU H 1 10 LEU HB3 3.520 . 3.520 2.798 2.643 2.912 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU H 1 10 LEU MD1 5.240 . 5.240 3.970 3.739 4.088 . 0 0 "[ . 1 . 2]" 1
131 1 10 LEU H 1 10 LEU MD2 5.040 . 5.040 3.734 3.626 3.871 . 0 0 "[ . 1 . 2]" 1
132 1 10 LEU H 1 10 LEU HG 4.420 . 4.420 2.901 2.709 3.043 . 0 0 "[ . 1 . 2]" 1
133 1 10 LEU H 1 11 VAL MG1 5.280 . 5.280 3.738 3.428 3.913 . 0 0 "[ . 1 . 2]" 1
134 1 10 LEU H 1 45 ILE MD 3.990 . 3.990 3.388 2.987 3.795 . 0 0 "[ . 1 . 2]" 1
135 1 10 LEU H 1 45 ILE MG 5.000 . 5.000 3.513 3.003 3.942 . 0 0 "[ . 1 . 2]" 1
136 1 10 LEU H 1 46 VAL H 3.970 . 3.970 2.670 2.557 2.937 . 0 0 "[ . 1 . 2]" 1
137 1 10 LEU H 1 46 VAL HB 4.860 . 4.860 3.454 3.131 3.844 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU H 1 46 VAL HB 4.420 . 4.420 3.365 3.085 3.710 . 0 0 "[ . 1 . 2]" 1
139 1 10 LEU H 1 47 VAL HA 4.280 . 4.280 3.549 3.297 3.775 . 0 0 "[ . 1 . 2]" 1
140 1 10 LEU H 1 47 VAL MG1 5.480 . 5.480 4.085 3.644 4.401 . 0 0 "[ . 1 . 2]" 1
141 1 10 LEU H 1 48 VAL H 5.700 . 5.700 4.524 3.837 4.991 . 0 0 "[ . 1 . 2]" 1
142 1 10 LEU HA 1 10 LEU MD2 3.660 . 3.660 2.111 2.008 2.179 . 0 0 "[ . 1 . 2]" 1
143 1 10 LEU HA 1 11 VAL H 3.120 . 3.120 2.105 2.037 2.159 . 0 0 "[ . 1 . 2]" 1
144 1 10 LEU HA 1 11 VAL HB 4.920 . 4.920 4.654 4.394 4.787 . 0 0 "[ . 1 . 2]" 1
145 1 10 LEU HA 1 75 VAL H 4.300 . 4.300 2.879 2.590 3.372 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU HB2 1 11 VAL H 4.110 . 4.110 4.137 4.064 4.176 0.066 7 0 "[ . 1 . 2]" 1
147 1 10 LEU HB2 1 11 VAL HA 5.260 . 5.260 4.732 4.631 4.895 . 0 0 "[ . 1 . 2]" 1
148 1 10 LEU HB2 1 11 VAL MG1 4.570 . 4.570 3.384 3.208 3.561 . 0 0 "[ . 1 . 2]" 1
149 1 10 LEU HB2 1 12 VAL MG2 3.890 . 3.890 2.772 2.549 2.994 . 0 0 "[ . 1 . 2]" 1
150 1 10 LEU HB2 1 12 VAL MG2 3.520 . 3.520 2.867 2.575 3.144 . 0 0 "[ . 1 . 2]" 1
151 1 10 LEU HB2 1 46 VAL HB 5.690 . 5.690 2.023 1.903 2.225 . 0 0 "[ . 1 . 2]" 1
152 1 10 LEU HB2 1 46 VAL MG2 3.770 . 3.770 3.138 2.949 3.456 . 0 0 "[ . 1 . 2]" 1
153 1 10 LEU HB3 1 11 VAL H 4.470 . 4.470 3.295 3.113 3.439 . 0 0 "[ . 1 . 2]" 1
154 1 10 LEU HB3 1 46 VAL MG1 4.210 . 4.210 3.018 2.786 3.306 . 0 0 "[ . 1 . 2]" 1
155 1 10 LEU HB3 1 48 VAL MG2 4.050 . 4.050 2.791 2.398 3.171 . 0 0 "[ . 1 . 2]" 1
156 1 10 LEU HB3 1 74 LEU HG 4.790 . 4.790 4.359 4.118 4.795 0.005 20 0 "[ . 1 . 2]" 1
157 1 10 LEU HB3 1 75 VAL HB 5.330 . 5.330 5.394 5.344 5.431 0.101 20 0 "[ . 1 . 2]" 1
158 1 10 LEU HB3 1 11 VAL H 5.010 . 5.010 3.337 3.140 3.494 . 0 0 "[ . 1 . 2]" 1
159 1 10 LEU HB3 1 12 VAL MG2 3.640 . 3.640 2.617 2.339 2.868 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU HB3 1 46 VAL H 4.460 . 4.460 4.251 3.981 4.455 . 0 0 "[ . 1 . 2]" 1
161 1 10 LEU HB3 1 46 VAL HB 3.470 . 3.470 3.514 3.488 3.537 0.067 18 0 "[ . 1 . 2]" 1
162 1 10 LEU MD1 1 46 VAL HB 4.290 . 4.290 2.638 2.153 3.059 . 0 0 "[ . 1 . 2]" 1
163 1 10 LEU MD1 1 60 ILE HA 4.530 . 4.530 2.905 2.396 3.425 . 0 0 "[ . 1 . 2]" 1
164 1 10 LEU MD1 1 63 VAL HB 5.180 . 5.180 3.273 2.871 3.771 . 0 0 "[ . 1 . 2]" 1
165 1 10 LEU MD2 1 11 VAL H 4.790 . 4.790 3.686 3.395 3.853 . 0 0 "[ . 1 . 2]" 1
166 1 10 LEU MD2 1 60 ILE HA 5.200 . 5.200 4.278 3.792 4.764 . 0 0 "[ . 1 . 2]" 1
167 1 10 LEU MD2 1 63 VAL HB 5.700 . 5.700 5.017 4.688 5.469 . 0 0 "[ . 1 . 2]" 1
168 1 10 LEU MD2 1 74 LEU H 4.730 . 4.730 2.807 2.581 3.378 . 0 0 "[ . 1 . 2]" 1
169 1 10 LEU MD2 1 74 LEU HA 4.130 . 4.130 2.041 1.897 2.349 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU MD2 1 74 LEU QB 3.920 . 3.920 2.155 1.979 2.672 . 0 0 "[ . 1 . 2]" 1
171 1 11 VAL H 1 11 VAL HB 3.590 . 3.590 2.575 2.397 2.700 . 0 0 "[ . 1 . 2]" 1
172 1 11 VAL H 1 11 VAL MG1 4.430 . 4.430 2.842 2.498 3.481 . 0 0 "[ . 1 . 2]" 1
173 1 11 VAL H 1 11 VAL QG 3.580 . 3.580 2.330 2.237 2.538 . 0 0 "[ . 1 . 2]" 1
174 1 11 VAL H 1 11 VAL MG2 4.060 . 4.060 2.479 2.333 2.684 . 0 0 "[ . 1 . 2]" 1
175 1 11 VAL H 1 12 VAL H 4.060 . 4.060 2.968 2.775 3.081 . 0 0 "[ . 1 . 2]" 1
176 1 11 VAL H 1 45 ILE MG 5.460 . 5.460 3.146 2.859 3.342 . 0 0 "[ . 1 . 2]" 1
177 1 11 VAL H 1 73 SER H 3.870 . 3.870 3.100 2.968 3.226 . 0 0 "[ . 1 . 2]" 1
178 1 11 VAL H 1 46 VAL H 4.500 . 4.500 4.177 4.089 4.236 . 0 0 "[ . 1 . 2]" 1
179 1 11 VAL H 1 72 VAL QG 5.020 . 5.020 3.429 3.121 3.671 . 0 0 "[ . 1 . 2]" 1
180 1 11 VAL H 1 73 SER H 4.510 . 4.510 3.293 3.100 3.478 . 0 0 "[ . 1 . 2]" 1
181 1 11 VAL H 1 73 SER HB2 4.780 . 4.780 3.610 2.869 4.799 0.019 4 0 "[ . 1 . 2]" 1
182 1 11 VAL H 1 74 LEU QB 5.450 . 5.450 5.146 4.927 5.295 . 0 0 "[ . 1 . 2]" 1
183 1 11 VAL HA 1 11 VAL MG1 3.710 . 3.710 2.426 2.363 2.532 . 0 0 "[ . 1 . 2]" 1
184 1 11 VAL HA 1 11 VAL QG 3.210 . 3.210 1.984 1.853 2.165 . 0 0 "[ . 1 . 2]" 1
185 1 11 VAL HA 1 12 VAL H 3.020 . 3.020 2.093 2.046 2.131 . 0 0 "[ . 1 . 2]" 1
186 1 11 VAL HA 1 44 LEU H 5.330 . 5.330 4.405 4.190 4.726 . 0 0 "[ . 1 . 2]" 1
187 1 11 VAL HA 1 45 ILE HA 4.300 . 4.300 2.813 2.563 2.989 . 0 0 "[ . 1 . 2]" 1
188 1 11 VAL HA 1 45 ILE MD 4.220 . 4.220 2.445 2.015 4.225 0.005 16 0 "[ . 1 . 2]" 1
189 1 11 VAL HA 1 45 ILE HG12 4.940 . 4.940 4.245 2.386 4.609 . 0 0 "[ . 1 . 2]" 1
190 1 11 VAL HA 1 45 ILE HG13 5.480 . 5.480 5.146 3.753 5.486 0.006 8 0 "[ . 1 . 2]" 1
191 1 11 VAL HA 1 46 VAL H 4.500 . 4.500 3.843 3.679 4.059 . 0 0 "[ . 1 . 2]" 1
192 1 11 VAL HB 1 73 SER H 3.670 . 3.670 2.880 2.605 3.097 . 0 0 "[ . 1 . 2]" 1
193 1 11 VAL HB 1 45 ILE MD 3.870 . 3.870 3.491 2.343 3.787 . 0 0 "[ . 1 . 2]" 1
194 1 11 VAL HB 1 73 SER HB2 3.880 . 3.880 2.324 1.818 3.512 . 0 0 "[ . 1 . 2]" 1
195 1 11 VAL HB 1 73 SER HB3 3.720 . 3.720 3.024 1.890 3.719 . 0 0 "[ . 1 . 2]" 1
196 1 11 VAL MG1 1 12 VAL H 4.200 . 4.200 3.234 3.150 3.335 . 0 0 "[ . 1 . 2]" 1
197 1 11 VAL MG1 1 12 VAL H 3.380 . 3.380 2.276 2.220 2.332 . 0 0 "[ . 1 . 2]" 1
198 1 11 VAL MG1 1 44 LEU H 4.000 . 4.000 3.201 3.069 3.340 . 0 0 "[ . 1 . 2]" 1
199 1 11 VAL MG1 1 43 GLN HA 4.750 . 4.750 3.683 3.309 3.913 . 0 0 "[ . 1 . 2]" 1
200 1 11 VAL MG1 1 43 GLN HB2 4.800 . 4.800 3.978 3.674 4.358 . 0 0 "[ . 1 . 2]" 1
201 1 11 VAL MG1 1 43 GLN HE21 4.610 . 4.610 3.550 2.197 4.505 . 0 0 "[ . 1 . 2]" 1
202 1 11 VAL MG1 1 43 GLN HE22 5.470 . 5.470 4.203 2.817 4.993 . 0 0 "[ . 1 . 2]" 1
203 1 11 VAL MG1 1 43 GLN HE22 4.390 . 4.390 3.815 2.775 4.302 . 0 0 "[ . 1 . 2]" 1
204 1 11 VAL MG1 1 43 GLN HG2 4.540 . 4.540 2.913 2.303 3.308 . 0 0 "[ . 1 . 2]" 1
205 1 11 VAL MG1 1 43 GLN HG3 4.580 . 4.580 3.799 2.078 4.596 0.016 17 0 "[ . 1 . 2]" 1
206 1 11 VAL MG1 1 73 SER HB3 3.840 . 3.840 3.559 3.100 3.920 0.080 2 0 "[ . 1 . 2]" 1
207 1 11 VAL MG2 1 12 VAL H 4.830 . 4.830 4.178 4.111 4.264 . 0 0 "[ . 1 . 2]" 1
208 1 11 VAL MG2 1 13 GLN HE21 5.700 . 5.700 4.275 2.734 5.263 . 0 0 "[ . 1 . 2]" 1
209 1 11 VAL MG2 1 45 ILE HG12 4.240 . 4.240 4.063 2.330 4.294 0.054 2 0 "[ . 1 . 2]" 1
210 1 12 VAL H 1 12 VAL MG1 4.240 . 4.240 2.326 2.265 2.402 . 0 0 "[ . 1 . 2]" 1
211 1 12 VAL H 1 12 VAL HB 3.390 . 3.390 2.481 2.418 2.528 . 0 0 "[ . 1 . 2]" 1
212 1 12 VAL H 1 12 VAL MG1 4.080 . 4.080 3.317 3.223 3.517 . 0 0 "[ . 1 . 2]" 1
213 1 12 VAL H 1 12 VAL MG2 3.980 . 3.980 2.377 2.300 2.445 . 0 0 "[ . 1 . 2]" 1
214 1 12 VAL H 1 13 GLN H 5.110 . 5.110 3.963 3.894 4.053 . 0 0 "[ . 1 . 2]" 1
215 1 12 VAL H 1 13 GLN H 4.700 . 4.700 3.800 3.634 3.873 . 0 0 "[ . 1 . 2]" 1
216 1 12 VAL H 1 43 GLN HA 5.280 . 5.280 4.511 4.279 4.747 . 0 0 "[ . 1 . 2]" 1
217 1 12 VAL H 1 44 LEU H 3.910 . 3.910 3.048 2.823 3.183 . 0 0 "[ . 1 . 2]" 1
218 1 12 VAL H 1 44 LEU QB 4.260 . 4.260 3.524 3.274 3.804 . 0 0 "[ . 1 . 2]" 1
219 1 12 VAL H 1 45 ILE HA 4.360 . 4.360 3.360 2.947 3.550 . 0 0 "[ . 1 . 2]" 1
220 1 12 VAL H 1 45 ILE MD 5.470 . 5.470 3.809 3.367 5.494 0.024 16 0 "[ . 1 . 2]" 1
221 1 12 VAL HA 1 12 VAL QG 3.260 . 3.260 2.152 2.139 2.165 . 0 0 "[ . 1 . 2]" 1
222 1 12 VAL HA 1 13 GLN H 3.010 . 3.010 2.105 2.054 2.183 . 0 0 "[ . 1 . 2]" 1
223 1 12 VAL HB 1 44 LEU HG 4.210 . 4.210 3.956 3.700 4.261 0.051 15 0 "[ . 1 . 2]" 1
224 1 12 VAL HB 1 44 LEU MD2 5.200 . 5.200 4.009 3.735 4.180 . 0 0 "[ . 1 . 2]" 1
225 1 12 VAL HB 1 44 LEU H 3.800 . 3.800 2.848 2.594 3.190 . 0 0 "[ . 1 . 2]" 1
226 1 12 VAL HB 1 44 LEU MD1 4.150 . 4.150 3.305 2.508 3.584 . 0 0 "[ . 1 . 2]" 1
227 1 12 VAL HB 1 44 LEU H 4.430 . 4.430 2.996 2.756 3.293 . 0 0 "[ . 1 . 2]" 1
228 1 12 VAL HB 1 44 LEU QB 3.380 . 3.380 2.005 1.841 2.207 . 0 0 "[ . 1 . 2]" 1
229 1 12 VAL MG1 1 13 GLN QG 3.290 . 3.290 3.369 3.157 3.484 0.194 17 0 "[ . 1 . 2]" 1
230 1 12 VAL QG 1 26 LEU MD1 3.260 . 3.260 2.057 1.800 2.468 . 0 0 "[ . 1 . 2]" 1
231 1 12 VAL MG1 1 13 GLN H 3.510 . 3.510 2.996 2.728 3.221 . 0 0 "[ . 1 . 2]" 1
232 1 12 VAL MG1 1 13 GLN H 3.960 . 3.960 2.706 2.576 2.774 . 0 0 "[ . 1 . 2]" 1
233 1 12 VAL MG1 1 13 GLN HB2 4.530 . 4.530 3.768 3.092 4.187 . 0 0 "[ . 1 . 2]" 1
234 1 12 VAL MG1 1 13 GLN HB3 4.480 . 4.480 3.345 2.109 4.080 . 0 0 "[ . 1 . 2]" 1
235 1 12 VAL MG1 1 13 GLN QG 4.510 . 4.510 3.155 2.053 4.141 . 0 0 "[ . 1 . 2]" 1
236 1 12 VAL MG1 1 14 ALA H 4.540 . 4.540 3.384 3.148 3.595 . 0 0 "[ . 1 . 2]" 1
237 1 12 VAL MG1 1 14 ALA MB 3.520 . 3.520 2.067 1.945 2.269 . 0 0 "[ . 1 . 2]" 1
238 1 12 VAL MG1 1 26 LEU MD1 3.050 . 3.050 1.811 1.726 2.086 . 0 0 "[ . 1 . 2]" 1
239 1 12 VAL MG1 1 26 LEU HG 4.670 . 4.670 3.835 3.588 4.093 . 0 0 "[ . 1 . 2]" 1
240 1 12 VAL MG1 1 44 LEU QB 3.170 . 3.170 2.557 2.364 2.718 . 0 0 "[ . 1 . 2]" 1
241 1 12 VAL MG1 1 71 ALA MB 4.210 . 4.210 3.412 3.350 3.477 . 0 0 "[ . 1 . 2]" 1
242 1 12 VAL MG2 1 13 GLN H 4.580 . 4.580 4.146 3.996 4.244 . 0 0 "[ . 1 . 2]" 1
243 1 12 VAL MG2 1 26 LEU MD2 3.500 . 3.500 1.859 1.786 1.981 . 0 0 "[ . 1 . 2]" 1
244 1 13 GLN H 1 13 GLN HB2 3.520 . 3.520 2.550 2.363 2.894 . 0 0 "[ . 1 . 2]" 1
245 1 13 GLN H 1 13 GLN HB3 3.780 . 3.780 2.931 2.386 3.647 . 0 0 "[ . 1 . 2]" 1
246 1 13 GLN H 1 13 GLN QG 4.200 . 4.200 3.415 2.300 4.083 . 0 0 "[ . 1 . 2]" 1
247 1 13 GLN H 1 14 ALA H 5.220 . 5.220 4.339 4.223 4.408 . 0 0 "[ . 1 . 2]" 1
248 1 13 GLN H 1 72 VAL HB 4.760 . 4.760 4.049 3.581 4.194 . 0 0 "[ . 1 . 2]" 1
249 1 13 GLN H 1 69 VAL HA 5.700 . 5.700 5.144 4.804 5.438 . 0 0 "[ . 1 . 2]" 1
250 1 13 GLN H 1 70 LEU H 5.160 . 5.160 4.331 3.904 4.520 . 0 0 "[ . 1 . 2]" 1
251 1 13 GLN H 1 70 LEU HB2 4.600 . 4.600 3.460 3.147 3.671 . 0 0 "[ . 1 . 2]" 1
252 1 13 GLN H 1 71 ALA H 3.800 . 3.800 3.206 2.877 3.469 . 0 0 "[ . 1 . 2]" 1
253 1 13 GLN H 1 71 ALA MB 4.500 . 4.500 3.406 3.123 3.602 . 0 0 "[ . 1 . 2]" 1
254 1 13 GLN H 1 72 VAL H 4.110 . 4.110 3.926 3.876 4.005 . 0 0 "[ . 1 . 2]" 1
255 1 13 GLN H 1 72 VAL HA 4.200 . 4.200 3.154 2.861 3.571 . 0 0 "[ . 1 . 2]" 1
256 1 13 GLN H 1 72 VAL HA 3.630 . 3.630 2.074 1.960 2.154 . 0 0 "[ . 1 . 2]" 1
257 1 13 GLN HA 1 14 ALA H 3.040 . 3.040 2.162 2.113 2.222 . 0 0 "[ . 1 . 2]" 1
258 1 13 GLN HA 1 14 ALA MB 4.760 . 4.760 3.901 3.846 4.037 . 0 0 "[ . 1 . 2]" 1
259 1 13 GLN HA 1 43 GLN HA 3.890 . 3.890 2.756 2.329 3.085 . 0 0 "[ . 1 . 2]" 1
260 1 13 GLN HB2 1 14 ALA H 5.090 . 5.090 4.341 4.009 4.533 . 0 0 "[ . 1 . 2]" 1
261 1 13 GLN HB2 1 70 LEU HB2 4.550 . 4.550 3.699 2.266 4.649 0.099 2 0 "[ . 1 . 2]" 1
262 1 13 GLN HB2 1 71 ALA H 4.070 . 4.070 3.396 2.315 4.115 0.045 1 0 "[ . 1 . 2]" 1
263 1 13 GLN HB2 1 71 ALA MB 3.610 . 3.610 2.825 2.359 3.339 . 0 0 "[ . 1 . 2]" 1
264 1 13 GLN HB3 1 13 GLN QG 2.750 . 2.750 2.281 2.156 2.432 . 0 0 "[ . 1 . 2]" 1
265 1 13 GLN HB3 1 14 ALA H 4.530 . 4.530 3.911 3.125 4.297 . 0 0 "[ . 1 . 2]" 1
266 1 13 GLN HB3 1 70 LEU HB2 4.560 . 4.560 2.975 2.634 3.310 . 0 0 "[ . 1 . 2]" 1
267 1 13 GLN HB3 1 70 LEU HB2 3.800 . 3.800 2.448 1.953 3.053 . 0 0 "[ . 1 . 2]" 1
268 1 13 GLN HB3 1 70 LEU HB3 4.860 . 4.860 4.332 3.926 4.823 . 0 0 "[ . 1 . 2]" 1
269 1 13 GLN HB3 1 70 LEU QD 4.810 . 4.810 3.467 2.111 4.306 . 0 0 "[ . 1 . 2]" 1
270 1 13 GLN HB3 1 71 ALA H 4.160 . 4.160 2.961 2.259 3.958 . 0 0 "[ . 1 . 2]" 1
271 1 13 GLN HB3 1 71 ALA MB 3.780 . 3.780 2.838 1.983 3.789 0.009 9 0 "[ . 1 . 2]" 1
272 1 13 GLN QG 1 14 ALA H 4.460 . 4.460 3.660 2.925 4.577 0.117 13 0 "[ . 1 . 2]" 1
273 1 13 GLN QG 1 70 LEU H 4.990 . 4.990 3.824 3.489 4.089 . 0 0 "[ . 1 . 2]" 1
274 1 13 GLN QG 1 70 LEU HB2 4.910 . 4.910 3.555 2.231 4.756 . 0 0 "[ . 1 . 2]" 1
275 1 13 GLN QG 1 70 LEU QD 4.290 . 4.290 3.226 2.054 4.385 0.095 12 0 "[ . 1 . 2]" 1
276 1 13 GLN QG 1 71 ALA H 4.760 . 4.760 3.898 3.475 4.335 . 0 0 "[ . 1 . 2]" 1
277 1 13 GLN QG 1 70 LEU HB2 4.110 . 4.110 2.923 2.180 3.540 . 0 0 "[ . 1 . 2]" 1
278 1 13 GLN QG 1 71 ALA MB 4.160 . 4.160 3.397 2.590 3.948 . 0 0 "[ . 1 . 2]" 1
279 1 14 ALA H 1 15 LYS H 5.490 . 5.490 4.369 4.328 4.420 . 0 0 "[ . 1 . 2]" 1
280 1 14 ALA H 1 19 ILE HA 5.000 . 5.000 4.142 3.763 4.425 . 0 0 "[ . 1 . 2]" 1
281 1 14 ALA H 1 19 ILE MD 4.600 . 4.600 3.559 3.094 4.231 . 0 0 "[ . 1 . 2]" 1
282 1 14 ALA H 1 42 GLY HA2 5.220 . 5.220 4.195 3.785 4.488 . 0 0 "[ . 1 . 2]" 1
283 1 14 ALA H 1 42 GLY HA3 4.680 . 4.680 3.561 3.031 3.976 . 0 0 "[ . 1 . 2]" 1
284 1 14 ALA H 1 43 GLN HA 4.370 . 4.370 3.611 3.107 4.249 . 0 0 "[ . 1 . 2]" 1
285 1 14 ALA H 1 70 LEU QD 5.700 . 5.700 3.783 3.254 4.571 . 0 0 "[ . 1 . 2]" 1
286 1 14 ALA H 1 71 ALA H 5.700 . 5.700 5.132 4.939 5.403 . 0 0 "[ . 1 . 2]" 1
287 1 14 ALA HA 1 15 LYS H 3.220 . 3.220 2.444 2.387 2.514 . 0 0 "[ . 1 . 2]" 1
288 1 14 ALA HA 1 15 LYS QD 3.830 . 3.830 3.564 3.338 3.851 0.021 8 0 "[ . 1 . 2]" 1
289 1 14 ALA HA 1 69 VAL H 5.570 . 5.570 5.058 4.865 5.462 . 0 0 "[ . 1 . 2]" 1
290 1 14 ALA HA 1 69 VAL HA 3.930 . 3.930 2.520 2.209 3.023 . 0 0 "[ . 1 . 2]" 1
291 1 14 ALA HA 1 69 VAL QG 4.590 . 4.590 2.892 2.816 3.079 . 0 0 "[ . 1 . 2]" 1
292 1 14 ALA HA 1 70 LEU H 3.870 . 3.870 2.421 2.137 2.820 . 0 0 "[ . 1 . 2]" 1
293 1 14 ALA HA 1 70 LEU HB3 5.330 . 5.330 4.795 4.427 5.139 . 0 0 "[ . 1 . 2]" 1
294 1 14 ALA HA 1 70 LEU QD 4.590 . 4.590 3.100 2.939 3.379 . 0 0 "[ . 1 . 2]" 1
295 1 14 ALA HA 1 70 LEU HG 4.370 . 4.370 2.344 2.146 2.609 . 0 0 "[ . 1 . 2]" 1
296 1 14 ALA HA 1 71 ALA H 4.770 . 4.770 3.835 3.606 4.020 . 0 0 "[ . 1 . 2]" 1
297 1 14 ALA MB 1 15 LYS H 3.670 . 3.670 2.224 2.141 2.306 . 0 0 "[ . 1 . 2]" 1
298 1 14 ALA MB 1 15 LYS HA 4.730 . 4.730 3.622 3.396 3.909 . 0 0 "[ . 1 . 2]" 1
299 1 14 ALA MB 1 15 LYS HB2 3.990 . 3.990 3.120 2.894 3.387 . 0 0 "[ . 1 . 2]" 1
300 1 14 ALA MB 1 15 LYS QD 4.480 . 4.480 3.727 3.426 4.114 . 0 0 "[ . 1 . 2]" 1
301 1 14 ALA MB 1 18 ARG H 5.410 . 5.410 4.088 3.866 4.312 . 0 0 "[ . 1 . 2]" 1
302 1 14 ALA MB 1 19 ILE HA 4.420 . 4.420 3.764 3.500 4.090 . 0 0 "[ . 1 . 2]" 1
303 1 14 ALA MB 1 19 ILE MD 3.750 . 3.750 2.592 2.035 3.742 . 0 0 "[ . 1 . 2]" 1
304 1 14 ALA MB 1 19 ILE MD 3.210 . 3.210 1.790 1.709 1.949 . 0 0 "[ . 1 . 2]" 1
305 1 14 ALA MB 1 19 ILE HG12 5.240 . 5.240 3.912 2.830 4.514 . 0 0 "[ . 1 . 2]" 1
306 1 14 ALA MB 1 19 ILE HG12 4.050 . 4.050 3.697 2.805 4.075 0.025 8 0 "[ . 1 . 2]" 1
307 1 14 ALA MB 1 19 ILE HG13 5.130 . 5.130 4.483 3.333 5.122 . 0 0 "[ . 1 . 2]" 1
308 1 14 ALA MB 1 22 ILE MD 3.400 . 3.400 1.853 1.764 1.997 . 0 0 "[ . 1 . 2]" 1
309 1 14 ALA MB 1 44 LEU MD1 4.470 . 4.470 2.809 2.205 3.392 . 0 0 "[ . 1 . 2]" 1
310 1 14 ALA MB 1 44 LEU MD2 5.200 . 5.200 4.310 3.766 4.671 . 0 0 "[ . 1 . 2]" 1
311 1 14 ALA MB 1 69 VAL HA 3.930 . 3.930 2.447 2.133 2.906 . 0 0 "[ . 1 . 2]" 1
312 1 14 ALA MB 1 70 LEU H 4.520 . 4.520 3.412 3.128 3.703 . 0 0 "[ . 1 . 2]" 1
313 1 14 ALA MB 1 70 LEU QD 5.150 . 5.150 4.010 3.916 4.219 . 0 0 "[ . 1 . 2]" 1
314 1 14 ALA MB 1 71 ALA H 5.700 . 5.700 4.726 4.427 5.032 . 0 0 "[ . 1 . 2]" 1
315 1 15 LYS H 1 15 LYS HB2 3.800 . 3.800 2.342 2.189 2.440 . 0 0 "[ . 1 . 2]" 1
316 1 15 LYS H 1 15 LYS HB2 3.250 . 3.250 2.328 2.181 2.425 . 0 0 "[ . 1 . 2]" 1
317 1 15 LYS H 1 15 LYS HB3 3.960 . 3.960 3.597 3.482 3.667 . 0 0 "[ . 1 . 2]" 1
318 1 15 LYS H 1 15 LYS HG2 4.220 . 4.220 4.074 3.943 4.211 . 0 0 "[ . 1 . 2]" 1
319 1 15 LYS H 1 15 LYS HG3 4.190 . 4.190 3.794 3.248 4.141 . 0 0 "[ . 1 . 2]" 1
320 1 15 LYS H 1 16 SER H 5.020 . 5.020 4.466 4.407 4.544 . 0 0 "[ . 1 . 2]" 1
321 1 15 LYS H 1 18 ARG H 5.700 . 5.700 4.698 4.555 4.822 . 0 0 "[ . 1 . 2]" 1
322 1 15 LYS H 1 18 ARG HB3 5.010 . 5.010 3.754 3.433 3.968 . 0 0 "[ . 1 . 2]" 1
323 1 15 LYS H 1 19 ILE H 5.250 . 5.250 4.478 4.353 4.570 . 0 0 "[ . 1 . 2]" 1
324 1 15 LYS H 1 19 ILE MD 4.900 . 4.900 2.809 2.518 3.133 . 0 0 "[ . 1 . 2]" 1
325 1 15 LYS H 1 22 ILE MD 3.920 . 3.920 2.697 2.469 2.962 . 0 0 "[ . 1 . 2]" 1
326 1 15 LYS H 1 68 GLY HA2 5.700 . 5.700 4.104 3.598 4.925 . 0 0 "[ . 1 . 2]" 1
327 1 15 LYS H 1 69 VAL HA 4.840 . 4.840 3.792 3.356 4.548 . 0 0 "[ . 1 . 2]" 1
328 1 15 LYS H 1 70 LEU H 4.980 . 4.980 4.486 4.084 4.872 . 0 0 "[ . 1 . 2]" 1
329 1 15 LYS H 1 70 LEU H 5.180 . 5.180 4.322 3.997 4.615 . 0 0 "[ . 1 . 2]" 1
330 1 15 LYS H 1 70 LEU QD 4.370 . 4.370 3.502 3.310 3.728 . 0 0 "[ . 1 . 2]" 1
331 1 15 LYS H 1 70 LEU HG 4.980 . 4.980 3.287 2.938 3.707 . 0 0 "[ . 1 . 2]" 1
332 1 15 LYS HA 1 15 LYS QD 4.400 . 4.400 2.671 2.390 2.986 . 0 0 "[ . 1 . 2]" 1
333 1 15 LYS HA 1 15 LYS QE 5.080 . 5.080 3.838 2.897 4.181 . 0 0 "[ . 1 . 2]" 1
334 1 15 LYS HA 1 15 LYS HG2 4.250 . 4.250 3.686 3.568 3.785 . 0 0 "[ . 1 . 2]" 1
335 1 15 LYS HA 1 15 LYS HG3 4.400 . 4.400 2.496 2.310 2.626 . 0 0 "[ . 1 . 2]" 1
336 1 15 LYS HA 1 16 SER H 3.740 . 3.740 2.119 2.001 2.154 . 0 0 "[ . 1 . 2]" 1
337 1 15 LYS HA 1 16 SER QB 3.750 . 3.750 3.087 2.479 3.573 . 0 0 "[ . 1 . 2]" 1
338 1 15 LYS HA 1 18 ARG HG3 4.980 . 4.980 4.958 4.627 5.131 0.151 19 0 "[ . 1 . 2]" 1
339 1 15 LYS HA 1 19 ILE HG12 4.340 . 4.340 3.779 3.399 4.376 0.036 17 0 "[ . 1 . 2]" 1
340 1 15 LYS HA 1 18 ARG HB3 5.270 . 5.270 3.796 3.471 4.208 . 0 0 "[ . 1 . 2]" 1
341 1 15 LYS HA 1 70 LEU QD 4.610 . 4.610 3.220 2.912 3.707 . 0 0 "[ . 1 . 2]" 1
342 1 15 LYS HB2 1 68 GLY HA3 5.450 . 5.450 3.367 2.964 4.034 . 0 0 "[ . 1 . 2]" 1
343 1 15 LYS HB2 1 17 GLU H 5.700 . 5.700 4.436 4.107 4.725 . 0 0 "[ . 1 . 2]" 1
344 1 15 LYS HB2 1 17 GLU QG 4.780 . 4.780 3.743 3.287 4.813 0.033 6 0 "[ . 1 . 2]" 1
345 1 15 LYS HB2 1 18 ARG H 4.930 . 4.930 3.462 3.145 3.972 . 0 0 "[ . 1 . 2]" 1
346 1 15 LYS HB2 1 18 ARG H 3.690 . 3.690 3.349 3.085 3.704 0.014 9 0 "[ . 1 . 2]" 1
347 1 15 LYS HB2 1 70 LEU QD 5.020 . 5.020 4.486 4.275 4.756 . 0 0 "[ . 1 . 2]" 1
348 1 15 LYS HB3 1 15 LYS QE 5.120 . 5.120 4.307 3.436 4.592 . 0 0 "[ . 1 . 2]" 1
349 1 15 LYS HB3 1 16 SER HA 4.200 . 4.200 3.750 3.065 4.216 0.016 15 0 "[ . 1 . 2]" 1
350 1 15 LYS HB3 1 18 ARG H 5.290 . 5.290 2.816 2.522 3.149 . 0 0 "[ . 1 . 2]" 1
351 1 15 LYS HB3 1 18 ARG HB3 3.140 . 3.140 2.906 2.498 3.187 0.047 6 0 "[ . 1 . 2]" 1
352 1 15 LYS HB3 1 18 ARG QD 4.810 . 4.810 3.919 3.507 4.450 . 0 0 "[ . 1 . 2]" 1
353 1 15 LYS HB3 1 18 ARG HG3 5.200 . 5.200 5.174 4.776 5.271 0.071 17 0 "[ . 1 . 2]" 1
354 1 15 LYS HB3 1 22 ILE MD 4.660 . 4.660 3.987 3.532 4.507 . 0 0 "[ . 1 . 2]" 1
355 1 15 LYS QD 1 68 GLY HA3 4.130 . 4.130 3.306 2.653 4.128 . 0 0 "[ . 1 . 2]" 1
356 1 15 LYS QD 1 68 GLY HA2 4.350 . 4.350 2.570 1.930 4.365 0.015 9 0 "[ . 1 . 2]" 1
357 1 15 LYS QD 1 70 LEU QD 4.840 . 4.840 2.227 2.009 3.002 . 0 0 "[ . 1 . 2]" 1
358 1 15 LYS QE 1 18 ARG QD 4.200 . 4.200 4.112 2.573 4.285 0.085 12 0 "[ . 1 . 2]" 1
359 1 15 LYS QE 1 68 GLY HA2 5.230 . 5.230 3.032 2.315 4.297 . 0 0 "[ . 1 . 2]" 1
360 1 15 LYS QE 1 70 LEU QD 4.190 . 4.190 2.232 1.863 3.038 . 0 0 "[ . 1 . 2]" 1
361 1 15 LYS HG2 1 70 LEU QD 4.240 . 4.240 4.216 4.024 4.303 0.063 12 0 "[ . 1 . 2]" 1
362 1 15 LYS HG3 1 70 LEU QD 4.520 . 4.520 3.392 2.838 3.834 . 0 0 "[ . 1 . 2]" 1
363 1 16 SER HA 1 18 ARG H 5.150 . 5.150 3.810 3.559 4.036 . 0 0 "[ . 1 . 2]" 1
364 1 16 SER HA 1 19 ILE H 4.770 . 4.770 3.823 3.481 4.042 . 0 0 "[ . 1 . 2]" 1
365 1 16 SER HA 1 19 ILE HB 5.130 . 5.130 3.899 3.090 4.527 . 0 0 "[ . 1 . 2]" 1
366 1 16 SER HA 1 19 ILE MD 4.390 . 4.390 2.515 1.962 2.997 . 0 0 "[ . 1 . 2]" 1
367 1 16 SER HA 1 19 ILE HG12 4.570 . 4.570 2.407 1.905 3.582 . 0 0 "[ . 1 . 2]" 1
368 1 16 SER HA 1 19 ILE QG 3.690 . 3.690 1.967 1.828 2.163 . 0 0 "[ . 1 . 2]" 1
369 1 16 SER HA 1 19 ILE HG13 4.540 . 4.540 2.398 2.001 2.758 . 0 0 "[ . 1 . 2]" 1
370 1 16 SER HA 1 42 GLY HA3 4.310 . 4.310 3.026 2.181 4.065 . 0 0 "[ . 1 . 2]" 1
371 1 16 SER HA 1 42 GLY HA2 4.950 . 4.950 2.645 2.238 3.742 . 0 0 "[ . 1 . 2]" 1
372 1 16 SER QB 1 17 GLU H 4.910 . 4.910 2.870 2.571 3.508 . 0 0 "[ . 1 . 2]" 1
373 1 16 SER QB 1 17 GLU QG 5.220 . 5.220 4.277 3.985 4.912 . 0 0 "[ . 1 . 2]" 1
374 1 16 SER QB 1 17 GLU QG 5.120 . 5.120 3.305 2.224 4.035 . 0 0 "[ . 1 . 2]" 1
375 1 16 SER QB 1 18 ARG H 5.250 . 5.250 4.571 4.448 4.754 . 0 0 "[ . 1 . 2]" 1
376 1 16 SER QB 1 19 ILE HA 4.470 . 4.470 3.309 2.572 4.466 . 0 0 "[ . 1 . 2]" 1
377 1 16 SER QB 1 19 ILE MD 4.950 . 4.950 3.899 2.849 4.411 . 0 0 "[ . 1 . 2]" 1
378 1 16 SER QB 1 19 ILE HG13 4.050 . 4.050 4.014 3.766 4.110 0.060 12 0 "[ . 1 . 2]" 1
379 1 16 SER QB 1 19 ILE MG 5.590 . 5.590 4.876 4.688 5.141 . 0 0 "[ . 1 . 2]" 1
380 1 16 SER QB 1 42 GLY HA2 4.500 . 4.500 3.245 2.559 4.181 . 0 0 "[ . 1 . 2]" 1
381 1 17 GLU H 1 18 ARG H 4.600 . 4.600 2.535 2.364 2.718 . 0 0 "[ . 1 . 2]" 1
382 1 17 GLU HA 1 19 ILE H 4.490 . 4.490 3.805 3.523 4.038 . 0 0 "[ . 1 . 2]" 1
383 1 17 GLU HA 1 19 ILE HA 5.300 . 5.300 4.123 3.914 4.358 . 0 0 "[ . 1 . 2]" 1
384 1 17 GLU HA 1 19 ILE HB 4.350 . 4.350 3.619 2.917 4.087 . 0 0 "[ . 1 . 2]" 1
385 1 17 GLU HA 1 19 ILE HG13 4.240 . 4.240 2.618 1.909 4.053 . 0 0 "[ . 1 . 2]" 1
386 1 17 GLU QG 1 18 ARG HB2 5.160 . 5.160 2.630 2.185 4.556 . 0 0 "[ . 1 . 2]" 1
387 1 18 ARG H 1 18 ARG HB2 4.120 . 4.120 2.806 2.682 2.991 . 0 0 "[ . 1 . 2]" 1
388 1 18 ARG H 1 18 ARG HB2 3.420 . 3.420 2.782 2.662 2.958 . 0 0 "[ . 1 . 2]" 1
389 1 18 ARG H 1 18 ARG HB3 3.830 . 3.830 2.619 2.493 2.731 . 0 0 "[ . 1 . 2]" 1
390 1 18 ARG H 1 18 ARG QD 5.070 . 5.070 4.554 4.434 4.754 . 0 0 "[ . 1 . 2]" 1
391 1 18 ARG H 1 18 ARG HG2 4.500 . 4.500 4.500 4.374 4.540 0.040 6 0 "[ . 1 . 2]" 1
392 1 18 ARG H 1 18 ARG HG3 4.830 . 4.830 4.583 4.485 4.659 . 0 0 "[ . 1 . 2]" 1
393 1 18 ARG H 1 19 ILE H 3.100 . 3.100 2.183 2.044 2.348 . 0 0 "[ . 1 . 2]" 1
394 1 18 ARG H 1 19 ILE HA 5.290 . 5.290 4.254 4.116 4.470 . 0 0 "[ . 1 . 2]" 1
395 1 18 ARG H 1 19 ILE HB 4.900 . 4.900 4.368 4.030 4.731 . 0 0 "[ . 1 . 2]" 1
396 1 18 ARG H 1 19 ILE MD 5.000 . 5.000 3.647 3.324 3.902 . 0 0 "[ . 1 . 2]" 1
397 1 18 ARG H 1 19 ILE MG 5.700 . 5.700 5.363 5.265 5.491 . 0 0 "[ . 1 . 2]" 1
398 1 18 ARG H 1 22 ILE MD 4.390 . 4.390 3.429 3.219 3.691 . 0 0 "[ . 1 . 2]" 1
399 1 18 ARG HA 1 18 ARG QD 3.920 . 3.920 3.959 3.905 4.083 0.163 10 0 "[ . 1 . 2]" 1
400 1 18 ARG HA 1 21 ASP H 3.720 . 3.720 3.580 3.308 3.772 0.052 18 0 "[ . 1 . 2]" 1
401 1 18 ARG HB2 1 19 ILE H 4.360 . 4.360 4.120 4.060 4.199 . 0 0 "[ . 1 . 2]" 1
402 1 18 ARG HB2 1 21 ASP H 5.050 . 5.050 3.688 3.531 3.901 . 0 0 "[ . 1 . 2]" 1
403 1 18 ARG HB2 1 21 ASP QB 4.720 . 4.720 2.476 2.237 2.807 . 0 0 "[ . 1 . 2]" 1
404 1 18 ARG HB2 1 19 ILE H 5.050 . 5.050 4.330 4.245 4.443 . 0 0 "[ . 1 . 2]" 1
405 1 18 ARG HB2 1 22 ILE MD 4.310 . 4.310 3.821 3.622 4.112 . 0 0 "[ . 1 . 2]" 1
406 1 18 ARG HB3 1 18 ARG QD 3.760 . 3.760 2.402 2.304 2.471 . 0 0 "[ . 1 . 2]" 1
407 1 18 ARG HB3 1 21 ASP H 5.610 . 5.610 5.288 5.044 5.483 . 0 0 "[ . 1 . 2]" 1
408 1 18 ARG HB3 1 21 ASP QB 5.180 . 5.180 4.381 4.020 4.739 . 0 0 "[ . 1 . 2]" 1
409 1 18 ARG HB3 1 22 ILE H 4.740 . 4.740 4.682 4.467 4.771 0.031 2 0 "[ . 1 . 2]" 1
410 1 18 ARG HB3 1 22 ILE MD 3.640 . 3.640 2.396 2.098 2.674 . 0 0 "[ . 1 . 2]" 1
411 1 18 ARG HB3 1 22 ILE HG12 4.870 . 4.870 4.061 3.822 4.265 . 0 0 "[ . 1 . 2]" 1
412 1 18 ARG HB3 1 22 ILE HG13 4.870 . 4.870 3.385 3.146 3.638 . 0 0 "[ . 1 . 2]" 1
413 1 18 ARG HB3 1 22 ILE MG 4.580 . 4.580 3.302 2.920 3.637 . 0 0 "[ . 1 . 2]" 1
414 1 18 ARG QD 1 22 ILE MD 5.050 . 5.050 2.501 2.062 2.807 . 0 0 "[ . 1 . 2]" 1
415 1 18 ARG QD 1 68 GLY HA2 4.010 . 4.010 3.011 2.494 3.376 . 0 0 "[ . 1 . 2]" 1
416 1 18 ARG QD 1 68 GLY HA3 4.540 . 4.540 2.469 2.147 2.919 . 0 0 "[ . 1 . 2]" 1
417 1 19 ILE H 1 19 ILE HB 3.040 . 3.040 2.392 2.180 2.514 . 0 0 "[ . 1 . 2]" 1
418 1 19 ILE H 1 19 ILE MD 4.740 . 4.740 3.543 3.293 3.957 . 0 0 "[ . 1 . 2]" 1
419 1 19 ILE H 1 19 ILE MD 4.280 . 4.280 3.320 3.073 3.639 . 0 0 "[ . 1 . 2]" 1
420 1 19 ILE H 1 19 ILE HG12 4.240 . 4.240 2.676 2.109 4.055 . 0 0 "[ . 1 . 2]" 1
421 1 19 ILE H 1 19 ILE QG 3.380 . 3.380 2.367 2.094 2.919 . 0 0 "[ . 1 . 2]" 1
422 1 19 ILE H 1 19 ILE HG13 4.220 . 4.220 3.444 2.415 3.779 . 0 0 "[ . 1 . 2]" 1
423 1 19 ILE H 1 19 ILE MG 4.010 . 4.010 3.744 3.560 3.797 . 0 0 "[ . 1 . 2]" 1
424 1 19 ILE H 1 22 ILE MD 5.290 . 5.290 4.092 3.516 4.795 . 0 0 "[ . 1 . 2]" 1
425 1 19 ILE HA 1 19 ILE MD 3.320 . 3.320 2.113 1.836 2.763 . 0 0 "[ . 1 . 2]" 1
426 1 19 ILE HA 1 19 ILE MD 3.290 . 3.290 1.822 1.723 1.927 . 0 0 "[ . 1 . 2]" 1
427 1 19 ILE HA 1 19 ILE HG12 4.310 . 4.310 2.619 2.296 2.848 . 0 0 "[ . 1 . 2]" 1
428 1 19 ILE HA 1 19 ILE HG13 4.290 . 4.290 2.611 2.232 2.922 . 0 0 "[ . 1 . 2]" 1
429 1 19 ILE HA 1 19 ILE MG 3.590 . 3.590 2.606 2.520 2.833 . 0 0 "[ . 1 . 2]" 1
430 1 19 ILE HA 1 19 ILE MG 3.440 . 3.440 2.424 2.188 2.581 . 0 0 "[ . 1 . 2]" 1
431 1 19 ILE HA 1 19 ILE MG 3.440 . 3.440 2.585 2.502 2.813 . 0 0 "[ . 1 . 2]" 1
432 1 19 ILE HA 1 21 ASP H 4.820 . 4.820 4.113 3.914 4.268 . 0 0 "[ . 1 . 2]" 1
433 1 19 ILE HA 1 22 ILE H 4.160 . 4.160 3.186 2.920 3.343 . 0 0 "[ . 1 . 2]" 1
434 1 19 ILE HA 1 22 ILE MD 3.570 . 3.570 2.789 2.235 3.348 . 0 0 "[ . 1 . 2]" 1
435 1 19 ILE HA 1 22 ILE HG12 3.920 . 3.920 2.531 2.467 2.597 . 0 0 "[ . 1 . 2]" 1
436 1 19 ILE HA 1 22 ILE HG13 3.970 . 3.970 2.841 2.762 2.904 . 0 0 "[ . 1 . 2]" 1
437 1 19 ILE HA 1 44 LEU MD1 4.720 . 4.720 2.817 2.530 3.099 . 0 0 "[ . 1 . 2]" 1
438 1 19 ILE HA 1 22 ILE HB 3.480 . 3.480 2.634 2.215 3.133 . 0 0 "[ . 1 . 2]" 1
439 1 19 ILE HA 1 39 ALA MB 4.860 . 4.860 4.091 3.807 4.446 . 0 0 "[ . 1 . 2]" 1
440 1 19 ILE HB 1 39 ALA MB 3.860 . 3.860 3.365 2.556 3.878 0.018 8 0 "[ . 1 . 2]" 1
441 1 19 ILE MD 1 19 ILE MG 3.240 . 3.240 1.989 1.758 2.133 . 0 0 "[ . 1 . 2]" 1
442 1 19 ILE MD 1 19 ILE MG 3.240 . 3.240 1.915 1.726 2.008 . 0 0 "[ . 1 . 2]" 1
443 1 19 ILE MD 1 21 ASP H 5.700 . 5.700 4.534 4.380 4.723 . 0 0 "[ . 1 . 2]" 1
444 1 19 ILE MD 1 44 LEU MD2 3.430 . 3.430 2.633 1.992 3.273 . 0 0 "[ . 1 . 2]" 1
445 1 19 ILE MD 1 38 ASP H 5.700 . 5.700 4.465 3.724 5.019 . 0 0 "[ . 1 . 2]" 1
446 1 19 ILE MD 1 39 ALA H 4.880 . 4.880 4.013 3.563 4.284 . 0 0 "[ . 1 . 2]" 1
447 1 19 ILE MD 1 39 ALA HA 4.230 . 4.230 3.068 1.833 3.676 . 0 0 "[ . 1 . 2]" 1
448 1 19 ILE MD 1 39 ALA HA 3.670 . 3.670 2.620 1.824 3.030 . 0 0 "[ . 1 . 2]" 1
449 1 19 ILE MD 1 39 ALA MB 4.530 . 4.530 3.944 2.611 4.536 0.006 20 0 "[ . 1 . 2]" 1
450 1 19 ILE MD 1 42 GLY H 4.990 . 4.990 3.825 3.048 4.234 . 0 0 "[ . 1 . 2]" 1
451 1 19 ILE MD 1 42 GLY HA2 4.300 . 4.300 2.055 1.834 2.314 . 0 0 "[ . 1 . 2]" 1
452 1 19 ILE MD 1 42 GLY HA3 4.610 . 4.610 3.124 2.863 3.418 . 0 0 "[ . 1 . 2]" 1
453 1 19 ILE MD 1 43 GLN H 4.300 . 4.300 3.656 3.053 3.959 . 0 0 "[ . 1 . 2]" 1
454 1 19 ILE MD 1 43 GLN HA 4.950 . 4.950 4.211 3.927 4.796 . 0 0 "[ . 1 . 2]" 1
455 1 19 ILE HG13 1 19 ILE MG 3.280 . 3.280 2.357 2.095 2.805 . 0 0 "[ . 1 . 2]" 1
456 1 19 ILE HG13 1 41 SER H 5.700 . 5.700 4.566 4.120 4.785 . 0 0 "[ . 1 . 2]" 1
457 1 19 ILE HG13 1 42 GLY H 4.850 . 4.850 3.914 3.416 4.461 . 0 0 "[ . 1 . 2]" 1
458 1 19 ILE HG13 1 42 GLY HA3 5.410 . 5.410 4.337 3.777 4.946 . 0 0 "[ . 1 . 2]" 1
459 1 19 ILE HG13 1 42 GLY HA2 4.430 . 4.430 2.938 2.252 4.286 . 0 0 "[ . 1 . 2]" 1
460 1 19 ILE HG13 1 42 GLY HA3 5.150 . 5.150 4.476 3.826 5.195 0.045 16 0 "[ . 1 . 2]" 1
461 1 19 ILE MG 1 20 SER HA 4.770 . 4.770 3.175 2.982 3.370 . 0 0 "[ . 1 . 2]" 1
462 1 19 ILE MG 1 21 ASP H 5.700 . 5.700 4.852 4.694 5.086 . 0 0 "[ . 1 . 2]" 1
463 1 19 ILE MG 1 22 ILE H 4.760 . 4.760 3.641 3.366 3.898 . 0 0 "[ . 1 . 2]" 1
464 1 19 ILE MG 1 23 SER H 4.480 . 4.480 3.451 2.955 3.671 . 0 0 "[ . 1 . 2]" 1
465 1 19 ILE MG 1 23 SER HA 3.860 . 3.860 2.999 2.350 3.469 . 0 0 "[ . 1 . 2]" 1
466 1 19 ILE MG 1 23 SER HB2 3.980 . 3.980 2.997 2.336 3.481 . 0 0 "[ . 1 . 2]" 1
467 1 19 ILE MG 1 38 ASP H 4.290 . 4.290 4.054 3.528 4.338 0.048 8 0 "[ . 1 . 2]" 1
468 1 19 ILE MG 1 39 ALA H 5.340 . 5.340 3.839 3.244 4.428 . 0 0 "[ . 1 . 2]" 1
469 1 19 ILE MG 1 39 ALA HA 3.690 . 3.690 2.766 2.120 3.491 . 0 0 "[ . 1 . 2]" 1
470 1 19 ILE MG 1 39 ALA MB 3.740 . 3.740 2.809 2.353 3.328 . 0 0 "[ . 1 . 2]" 1
471 1 19 ILE MG 1 42 GLY H 5.700 . 5.700 5.211 4.666 5.691 . 0 0 "[ . 1 . 2]" 1
472 1 19 ILE MG 1 43 GLN H 4.880 . 4.880 4.289 3.961 4.640 . 0 0 "[ . 1 . 2]" 1
473 1 20 SER HA 1 20 SER QB 2.600 . 2.600 2.298 2.201 2.392 . 0 0 "[ . 1 . 2]" 1
474 1 20 SER HA 1 22 ILE H 4.410 . 4.410 3.599 3.119 4.019 . 0 0 "[ . 1 . 2]" 1
475 1 20 SER HA 1 23 SER H 4.240 . 4.240 3.750 3.190 4.246 0.006 3 0 "[ . 1 . 2]" 1
476 1 20 SER HA 1 23 SER HB2 4.610 . 4.610 3.870 2.708 4.653 0.043 13 0 "[ . 1 . 2]" 1
477 1 20 SER QB 1 21 ASP H 3.590 . 3.590 2.606 2.372 2.886 . 0 0 "[ . 1 . 2]" 1
478 1 20 SER QB 1 22 ILE H 4.720 . 4.720 4.426 4.223 4.718 . 0 0 "[ . 1 . 2]" 1
479 1 21 ASP H 1 21 ASP QB 3.210 . 3.210 2.379 2.151 2.550 . 0 0 "[ . 1 . 2]" 1
480 1 21 ASP H 1 22 ILE H 3.570 . 3.570 2.542 2.300 2.816 . 0 0 "[ . 1 . 2]" 1
481 1 21 ASP H 1 22 ILE H 3.490 . 3.490 2.517 2.287 2.770 . 0 0 "[ . 1 . 2]" 1
482 1 21 ASP H 1 22 ILE HB 5.470 . 5.470 4.699 4.368 5.025 . 0 0 "[ . 1 . 2]" 1
483 1 21 ASP H 1 23 SER H 5.330 . 5.330 4.073 3.878 4.267 . 0 0 "[ . 1 . 2]" 1
484 1 21 ASP HA 1 23 SER H 5.670 . 5.670 4.611 4.300 4.788 . 0 0 "[ . 1 . 2]" 1
485 1 21 ASP HA 1 24 THR H 4.270 . 4.270 3.826 3.322 4.040 . 0 0 "[ . 1 . 2]" 1
486 1 21 ASP HA 1 24 THR H 4.150 . 4.150 3.614 3.223 3.805 . 0 0 "[ . 1 . 2]" 1
487 1 21 ASP HA 1 24 THR HB 3.810 . 3.810 3.324 2.865 3.655 . 0 0 "[ . 1 . 2]" 1
488 1 21 ASP QB 1 22 ILE H 3.430 . 3.430 2.351 2.077 2.642 . 0 0 "[ . 1 . 2]" 1
489 1 21 ASP QB 1 22 ILE HB 5.220 . 5.220 4.498 4.177 4.796 . 0 0 "[ . 1 . 2]" 1
490 1 21 ASP QB 1 22 ILE MD 5.550 . 5.550 4.138 3.861 4.590 . 0 0 "[ . 1 . 2]" 1
491 1 21 ASP QB 1 22 ILE MD 5.550 . 5.550 3.940 3.708 4.340 . 0 0 "[ . 1 . 2]" 1
492 1 21 ASP QB 1 22 ILE HG13 5.090 . 5.090 2.841 2.493 3.325 . 0 0 "[ . 1 . 2]" 1
493 1 21 ASP QB 1 22 ILE MG 5.480 . 5.480 4.960 4.694 5.349 . 0 0 "[ . 1 . 2]" 1
494 1 21 ASP QB 1 23 SER H 5.010 . 5.010 4.677 4.478 4.940 . 0 0 "[ . 1 . 2]" 1
495 1 22 ILE H 1 22 ILE HB 3.190 . 3.190 2.504 2.377 2.583 . 0 0 "[ . 1 . 2]" 1
496 1 22 ILE H 1 22 ILE HB 3.320 . 3.320 2.300 2.208 2.367 . 0 0 "[ . 1 . 2]" 1
497 1 22 ILE H 1 22 ILE MD 3.800 . 3.800 3.199 3.140 3.255 . 0 0 "[ . 1 . 2]" 1
498 1 22 ILE H 1 22 ILE HG12 3.800 . 3.800 3.372 3.283 3.483 . 0 0 "[ . 1 . 2]" 1
499 1 22 ILE H 1 22 ILE HG12 4.230 . 4.230 3.323 3.238 3.427 . 0 0 "[ . 1 . 2]" 1
500 1 22 ILE H 1 22 ILE HG13 3.460 . 3.460 2.034 1.920 2.186 . 0 0 "[ . 1 . 2]" 1
501 1 22 ILE H 1 22 ILE MG 3.700 . 3.700 3.205 3.083 3.282 . 0 0 "[ . 1 . 2]" 1
502 1 22 ILE H 1 25 GLN HE21 5.700 . 5.700 4.204 3.578 5.712 0.012 11 0 "[ . 1 . 2]" 1
503 1 22 ILE H 1 44 LEU MD1 5.620 . 5.620 3.139 2.758 4.441 . 0 0 "[ . 1 . 2]" 1
504 1 22 ILE H 1 44 LEU MD2 4.720 . 4.720 4.060 3.032 4.726 0.006 6 0 "[ . 1 . 2]" 1
505 1 22 ILE H 1 24 THR H 5.700 . 5.700 3.912 3.800 4.051 . 0 0 "[ . 1 . 2]" 1
506 1 22 ILE HA 1 22 ILE MD 3.320 . 3.320 2.406 2.356 2.496 . 0 0 "[ . 1 . 2]" 1
507 1 22 ILE HA 1 22 ILE HG12 3.290 . 3.290 2.330 2.020 2.514 . 0 0 "[ . 1 . 2]" 1
508 1 22 ILE HA 1 22 ILE HG13 3.520 . 3.520 2.939 2.873 2.992 . 0 0 "[ . 1 . 2]" 1
509 1 22 ILE HA 1 22 ILE MG 3.340 . 3.340 2.432 2.378 2.532 . 0 0 "[ . 1 . 2]" 1
510 1 22 ILE HA 1 24 THR H 5.460 . 5.460 4.178 3.828 4.665 . 0 0 "[ . 1 . 2]" 1
511 1 22 ILE HA 1 24 THR H 4.000 . 4.000 3.253 2.956 3.557 . 0 0 "[ . 1 . 2]" 1
512 1 22 ILE HA 1 25 GLN H 4.000 . 4.000 3.395 3.075 3.690 . 0 0 "[ . 1 . 2]" 1
513 1 22 ILE HA 1 25 GLN H 5.520 . 5.520 3.353 3.053 3.623 . 0 0 "[ . 1 . 2]" 1
514 1 22 ILE HA 1 25 GLN HB2 4.150 . 4.150 2.461 2.111 3.462 . 0 0 "[ . 1 . 2]" 1
515 1 22 ILE HA 1 25 GLN HB3 3.510 . 3.510 3.468 2.839 3.579 0.069 11 0 "[ . 1 . 2]" 1
516 1 22 ILE HA 1 25 GLN HE21 4.960 . 4.960 2.698 1.700 3.645 . 0 0 "[ . 1 . 2]" 1
517 1 22 ILE HA 1 25 GLN HE22 4.640 . 4.640 3.564 2.896 4.421 . 0 0 "[ . 1 . 2]" 1
518 1 22 ILE HA 1 25 GLN HG2 4.900 . 4.900 4.558 3.842 4.879 . 0 0 "[ . 1 . 2]" 1
519 1 22 ILE HA 1 25 GLN HG2 5.700 . 5.700 4.477 3.760 4.816 . 0 0 "[ . 1 . 2]" 1
520 1 22 ILE HA 1 25 GLN HG3 4.940 . 4.940 4.174 3.242 4.951 0.011 17 0 "[ . 1 . 2]" 1
521 1 22 ILE HA 1 26 LEU MD1 4.270 . 4.270 3.657 3.588 3.709 . 0 0 "[ . 1 . 2]" 1
522 1 22 ILE HA 1 66 VAL HB 4.700 . 4.700 4.060 3.625 4.480 . 0 0 "[ . 1 . 2]" 1
523 1 22 ILE HA 1 69 VAL QG 5.390 . 5.390 4.170 3.731 5.067 . 0 0 "[ . 1 . 2]" 1
524 1 22 ILE HA 1 66 VAL MG1 4.030 . 4.030 2.794 2.141 3.477 . 0 0 "[ . 1 . 2]" 1
525 1 22 ILE HB 1 22 ILE MD 3.380 . 3.380 2.377 2.343 2.417 . 0 0 "[ . 1 . 2]" 1
526 1 22 ILE HB 1 23 SER H 3.460 . 3.460 2.693 2.473 2.912 . 0 0 "[ . 1 . 2]" 1
527 1 22 ILE HB 1 23 SER HA 4.080 . 4.080 3.897 3.823 4.008 . 0 0 "[ . 1 . 2]" 1
528 1 22 ILE HB 1 25 GLN H 5.340 . 5.340 5.155 5.062 5.319 . 0 0 "[ . 1 . 2]" 1
529 1 22 ILE MD 1 23 SER H 3.960 . 3.960 3.262 3.106 3.408 . 0 0 "[ . 1 . 2]" 1
530 1 22 ILE MD 1 24 THR H 5.690 . 5.690 4.462 4.357 4.764 . 0 0 "[ . 1 . 2]" 1
531 1 22 ILE MD 1 25 GLN H 5.110 . 5.110 4.281 4.139 4.545 . 0 0 "[ . 1 . 2]" 1
532 1 22 ILE MD 1 66 VAL HB 4.730 . 4.730 3.243 2.867 3.595 . 0 0 "[ . 1 . 2]" 1
533 1 22 ILE MD 1 66 VAL MG1 3.580 . 3.580 2.098 1.817 2.649 . 0 0 "[ . 1 . 2]" 1
534 1 22 ILE MD 1 68 GLY H 5.700 . 5.700 3.764 3.055 4.184 . 0 0 "[ . 1 . 2]" 1
535 1 22 ILE MD 1 69 VAL H 4.590 . 4.590 3.560 3.271 4.001 . 0 0 "[ . 1 . 2]" 1
536 1 22 ILE MD 1 69 VAL HA 4.330 . 4.330 3.177 2.841 3.529 . 0 0 "[ . 1 . 2]" 1
537 1 22 ILE MD 1 69 VAL QG 3.350 . 3.350 2.411 2.076 3.213 . 0 0 "[ . 1 . 2]" 1
538 1 22 ILE MD 1 68 GLY H 5.700 . 5.700 3.944 3.273 4.347 . 0 0 "[ . 1 . 2]" 1
539 1 22 ILE MD 1 68 GLY HA2 4.460 . 4.460 3.277 2.855 3.556 . 0 0 "[ . 1 . 2]" 1
540 1 22 ILE MD 1 68 GLY HA3 3.740 . 3.740 2.052 1.887 2.212 . 0 0 "[ . 1 . 2]" 1
541 1 22 ILE MD 1 69 VAL HA 4.370 . 4.370 3.358 2.948 3.782 . 0 0 "[ . 1 . 2]" 1
542 1 22 ILE MD 1 69 VAL QG 3.260 . 3.260 3.070 2.558 3.723 0.463 19 0 "[ . 1 . 2]" 1
543 1 22 ILE HG13 1 22 ILE MG 3.340 . 3.340 2.237 2.024 2.469 . 0 0 "[ . 1 . 2]" 1
544 1 22 ILE HG13 1 23 SER H 4.680 . 4.680 4.254 4.115 4.393 . 0 0 "[ . 1 . 2]" 1
545 1 22 ILE HG13 1 66 VAL MG1 4.480 . 4.480 3.236 2.755 3.618 . 0 0 "[ . 1 . 2]" 1
546 1 22 ILE MG 1 23 SER HA 4.070 . 4.070 2.542 2.066 3.034 . 0 0 "[ . 1 . 2]" 1
547 1 22 ILE MG 1 24 THR H 5.320 . 5.320 4.220 4.045 4.457 . 0 0 "[ . 1 . 2]" 1
548 1 22 ILE MG 1 25 GLN HB2 5.040 . 5.040 3.782 3.296 4.771 . 0 0 "[ . 1 . 2]" 1
549 1 22 ILE MG 1 25 GLN HB3 4.700 . 4.700 4.103 3.647 4.377 . 0 0 "[ . 1 . 2]" 1
550 1 22 ILE MG 1 25 GLN HB3 5.620 . 5.620 3.961 3.524 4.214 . 0 0 "[ . 1 . 2]" 1
551 1 22 ILE MG 1 26 LEU H 3.900 . 3.900 3.249 3.142 3.389 . 0 0 "[ . 1 . 2]" 1
552 1 22 ILE MG 1 69 VAL QG 3.080 . 3.080 2.543 2.193 3.516 0.436 6 0 "[ . 1 . 2]" 1
553 1 23 SER H 1 23 SER HB2 4.160 . 4.160 2.749 2.379 3.579 . 0 0 "[ . 1 . 2]" 1
554 1 23 SER H 1 23 SER HB3 3.580 . 3.580 2.800 2.502 3.602 0.022 2 0 "[ . 1 . 2]" 1
555 1 23 SER H 1 24 THR H 3.550 . 3.550 2.688 2.610 2.764 . 0 0 "[ . 1 . 2]" 1
556 1 23 SER HA 1 26 LEU HB3 4.450 . 4.450 4.417 4.265 4.497 0.047 19 0 "[ . 1 . 2]" 1
557 1 23 SER HA 1 26 LEU MD1 4.810 . 4.810 2.631 2.086 3.275 . 0 0 "[ . 1 . 2]" 1
558 1 23 SER HB2 1 24 THR H 4.040 . 4.040 3.684 2.845 4.063 0.023 7 0 "[ . 1 . 2]" 1
559 1 23 SER HB2 1 44 LEU MD2 4.300 . 4.300 3.128 2.041 4.345 0.045 11 0 "[ . 1 . 2]" 1
560 1 23 SER HB3 1 24 THR H 4.110 . 4.110 3.383 2.805 4.151 0.041 13 0 "[ . 1 . 2]" 1
561 1 24 THR H 1 24 THR HB 3.190 . 3.190 2.504 2.409 2.636 . 0 0 "[ . 1 . 2]" 1
562 1 24 THR H 1 24 THR HB 2.990 . 2.990 2.289 2.248 2.390 . 0 0 "[ . 1 . 2]" 1
563 1 24 THR H 1 24 THR MG 4.310 . 4.310 3.750 3.721 3.776 . 0 0 "[ . 1 . 2]" 1
564 1 24 THR H 1 24 THR MG 4.010 . 4.010 3.286 3.190 3.341 . 0 0 "[ . 1 . 2]" 1
565 1 24 THR H 1 25 GLN HB3 5.330 . 5.330 5.383 5.089 5.460 0.130 14 0 "[ . 1 . 2]" 1
566 1 24 THR HA 1 24 THR MG 3.190 . 3.190 2.104 2.044 2.152 . 0 0 "[ . 1 . 2]" 1
567 1 24 THR HA 1 27 ASN H 4.000 . 4.000 3.577 3.397 3.787 . 0 0 "[ . 1 . 2]" 1
568 1 24 THR HA 1 27 ASN QB 3.420 . 3.420 2.788 2.354 3.186 . 0 0 "[ . 1 . 2]" 1
569 1 24 THR HA 1 27 ASN HD21 4.890 . 4.890 3.757 2.609 4.936 0.046 2 0 "[ . 1 . 2]" 1
570 1 24 THR HA 1 27 ASN HD22 4.420 . 4.420 4.246 3.804 4.488 0.068 16 0 "[ . 1 . 2]" 1
571 1 24 THR HB 1 25 GLN H 3.580 . 3.580 2.658 2.462 2.821 . 0 0 "[ . 1 . 2]" 1
572 1 24 THR HB 1 26 LEU H 5.270 . 5.270 5.187 5.084 5.287 0.017 19 0 "[ . 1 . 2]" 1
573 1 24 THR MG 1 25 GLN H 4.510 . 4.510 3.635 3.447 3.741 . 0 0 "[ . 1 . 2]" 1
574 1 24 THR MG 1 25 GLN HB2 4.840 . 4.840 4.742 4.107 4.881 0.041 13 0 "[ . 1 . 2]" 1
575 1 24 THR MG 1 25 GLN HB3 5.000 . 5.000 2.721 1.998 3.581 . 0 0 "[ . 1 . 2]" 1
576 1 24 THR MG 1 25 GLN HE21 5.700 . 5.700 4.277 3.217 4.851 . 0 0 "[ . 1 . 2]" 1
577 1 24 THR MG 1 25 GLN HG2 5.480 . 5.480 3.759 2.868 4.422 . 0 0 "[ . 1 . 2]" 1
578 1 24 THR MG 1 25 GLN HG3 5.330 . 5.330 3.952 3.450 4.358 . 0 0 "[ . 1 . 2]" 1
579 1 24 THR MG 1 27 ASN QB 5.040 . 5.040 3.476 2.918 4.032 . 0 0 "[ . 1 . 2]" 1
580 1 24 THR MG 1 28 ALA MB 3.760 . 3.760 3.660 3.411 3.827 0.067 10 0 "[ . 1 . 2]" 1
581 1 24 THR MG 1 28 ALA MB 3.850 . 3.850 3.500 2.992 3.745 . 0 0 "[ . 1 . 2]" 1
582 1 25 GLN H 1 25 GLN HB2 3.780 . 3.780 1.982 1.875 2.130 . 0 0 "[ . 1 . 2]" 1
583 1 25 GLN H 1 25 GLN HB3 3.270 . 3.270 3.207 2.614 3.362 0.092 19 0 "[ . 1 . 2]" 1
584 1 25 GLN H 1 25 GLN HE22 5.390 . 5.390 4.199 3.729 4.441 . 0 0 "[ . 1 . 2]" 1
585 1 25 GLN H 1 25 GLN HG2 5.630 . 5.630 3.997 3.621 4.508 . 0 0 "[ . 1 . 2]" 1
586 1 25 GLN H 1 25 GLN HG3 3.710 . 3.710 3.056 2.521 3.900 0.190 12 0 "[ . 1 . 2]" 1
587 1 25 GLN H 1 26 LEU H 3.380 . 3.380 2.708 2.601 2.894 . 0 0 "[ . 1 . 2]" 1
588 1 25 GLN H 1 26 LEU H 3.120 . 3.120 2.369 2.289 2.456 . 0 0 "[ . 1 . 2]" 1
589 1 25 GLN H 1 26 LEU MD1 5.290 . 5.290 4.326 4.112 4.565 . 0 0 "[ . 1 . 2]" 1
590 1 25 GLN H 1 34 VAL MG2 5.700 . 5.700 4.514 4.018 4.933 . 0 0 "[ . 1 . 2]" 1
591 1 25 GLN HA 1 25 GLN HG2 3.510 . 3.510 2.564 2.293 3.525 0.015 9 0 "[ . 1 . 2]" 1
592 1 25 GLN HA 1 25 GLN HG3 4.200 . 4.200 2.570 2.173 3.026 . 0 0 "[ . 1 . 2]" 1
593 1 25 GLN HA 1 28 ALA H 4.250 . 4.250 3.670 3.476 3.997 . 0 0 "[ . 1 . 2]" 1
594 1 25 GLN HA 1 28 ALA H 4.360 . 4.360 3.534 3.390 3.733 . 0 0 "[ . 1 . 2]" 1
595 1 25 GLN HA 1 28 ALA MB 3.860 . 3.860 2.775 2.554 2.998 . 0 0 "[ . 1 . 2]" 1
596 1 25 GLN HB2 1 26 LEU H 4.150 . 4.150 2.961 2.644 3.710 . 0 0 "[ . 1 . 2]" 1
597 1 25 GLN HB2 1 29 PHE QE 5.380 . 5.380 5.094 4.630 5.411 0.031 17 0 "[ . 1 . 2]" 1
598 1 25 GLN HB2 1 66 VAL HA 4.490 . 4.490 4.372 4.141 4.692 0.202 17 0 "[ . 1 . 2]" 1
599 1 25 GLN HB2 1 66 VAL MG1 4.330 . 4.330 3.356 2.788 4.368 0.038 10 0 "[ . 1 . 2]" 1
600 1 25 GLN HB3 1 25 GLN HE22 4.390 . 4.390 3.082 2.019 4.341 . 0 0 "[ . 1 . 2]" 1
601 1 25 GLN HB3 1 28 ALA MB 4.930 . 4.930 4.666 4.312 4.975 0.045 1 0 "[ . 1 . 2]" 1
602 1 25 GLN HB3 1 28 ALA MB 5.240 . 5.240 4.620 4.287 4.928 . 0 0 "[ . 1 . 2]" 1
603 1 25 GLN HB3 1 66 VAL HA 4.710 . 4.710 4.515 3.736 4.801 0.091 16 0 "[ . 1 . 2]" 1
604 1 25 GLN HB3 1 66 VAL MG1 4.440 . 4.440 2.992 2.355 3.819 . 0 0 "[ . 1 . 2]" 1
605 1 25 GLN HE21 1 66 VAL MG1 4.740 . 4.740 3.220 2.077 3.959 . 0 0 "[ . 1 . 2]" 1
606 1 25 GLN HE22 1 25 GLN HG3 3.980 . 3.980 3.642 3.442 4.007 0.027 11 0 "[ . 1 . 2]" 1
607 1 25 GLN HE22 1 66 VAL MG1 5.040 . 5.040 2.623 2.048 4.135 . 0 0 "[ . 1 . 2]" 1
608 1 25 GLN HG2 1 26 LEU MD2 4.680 . 4.680 3.111 2.696 3.662 . 0 0 "[ . 1 . 2]" 1
609 1 25 GLN HG2 1 29 PHE QE 4.980 . 4.980 4.091 2.075 4.626 . 0 0 "[ . 1 . 2]" 1
610 1 25 GLN HG2 1 29 PHE HZ 5.160 . 5.160 4.436 2.826 5.053 . 0 0 "[ . 1 . 2]" 1
611 1 25 GLN HG3 1 26 LEU H 5.230 . 5.230 4.791 4.627 5.018 . 0 0 "[ . 1 . 2]" 1
612 1 26 LEU H 1 26 LEU HB2 3.620 . 3.620 2.511 2.406 2.642 . 0 0 "[ . 1 . 2]" 1
613 1 26 LEU H 1 26 LEU HB3 3.340 . 3.340 3.482 3.472 3.492 0.152 1 0 "[ . 1 . 2]" 1
614 1 26 LEU H 1 26 LEU MD1 4.120 . 4.120 3.565 3.439 3.727 . 0 0 "[ . 1 . 2]" 1
615 1 26 LEU H 1 26 LEU MD2 4.530 . 4.530 3.170 2.976 3.369 . 0 0 "[ . 1 . 2]" 1
616 1 26 LEU H 1 26 LEU HG 3.410 . 3.410 2.097 1.933 2.206 . 0 0 "[ . 1 . 2]" 1
617 1 26 LEU H 1 27 ASN H 3.480 . 3.480 2.618 2.517 2.708 . 0 0 "[ . 1 . 2]" 1
618 1 26 LEU H 1 27 ASN QB 5.390 . 5.390 4.393 4.140 4.667 . 0 0 "[ . 1 . 2]" 1
619 1 26 LEU H 1 27 ASN HD22 5.580 . 5.580 3.941 3.858 4.051 . 0 0 "[ . 1 . 2]" 1
620 1 26 LEU H 1 28 ALA H 4.900 . 4.900 3.969 3.867 4.062 . 0 0 "[ . 1 . 2]" 1
621 1 26 LEU HA 1 26 LEU MD2 3.600 . 3.600 2.078 2.006 2.141 . 0 0 "[ . 1 . 2]" 1
622 1 26 LEU HA 1 26 LEU MD2 3.320 . 3.320 2.009 1.944 2.091 . 0 0 "[ . 1 . 2]" 1
623 1 26 LEU HA 1 26 LEU HG 4.410 . 4.410 3.155 3.039 3.278 . 0 0 "[ . 1 . 2]" 1
624 1 26 LEU HA 1 28 ALA H 4.800 . 4.800 3.686 3.496 3.983 . 0 0 "[ . 1 . 2]" 1
625 1 26 LEU HA 1 28 ALA H 4.420 . 4.420 2.202 1.910 2.753 . 0 0 "[ . 1 . 2]" 1
626 1 26 LEU HA 1 29 PHE QE 3.530 . 3.530 2.249 2.010 2.468 . 0 0 "[ . 1 . 2]" 1
627 1 26 LEU HA 1 29 PHE HZ 4.040 . 4.040 3.424 3.048 3.854 . 0 0 "[ . 1 . 2]" 1
628 1 26 LEU HA 1 66 VAL MG2 3.430 . 3.430 2.592 2.260 3.116 . 0 0 "[ . 1 . 2]" 1
629 1 26 LEU HB2 1 27 ASN H 3.830 . 3.830 2.735 2.506 2.895 . 0 0 "[ . 1 . 2]" 1
630 1 26 LEU HB2 1 46 VAL MG2 3.140 . 3.140 3.224 3.163 3.282 0.142 4 0 "[ . 1 . 2]" 1
631 1 26 LEU HB3 1 27 ASN H 3.890 . 3.890 3.721 3.601 3.866 . 0 0 "[ . 1 . 2]" 1
632 1 26 LEU HB3 1 27 ASN QB 5.310 . 5.310 5.133 4.665 5.407 0.097 10 0 "[ . 1 . 2]" 1
633 1 26 LEU MD1 1 34 VAL MG2 3.730 . 3.730 2.588 2.229 3.266 . 0 0 "[ . 1 . 2]" 1
634 1 26 LEU MD1 1 66 VAL MG2 5.080 . 5.080 4.209 3.909 4.712 . 0 0 "[ . 1 . 2]" 1
635 1 26 LEU MD2 1 29 PHE H 5.700 . 5.700 5.357 4.848 5.658 . 0 0 "[ . 1 . 2]" 1
636 1 26 LEU MD2 1 29 PHE QD 3.800 . 3.800 3.289 3.051 3.635 . 0 0 "[ . 1 . 2]" 1
637 1 26 LEU MD2 1 29 PHE QE 3.820 . 3.820 2.340 2.047 3.074 . 0 0 "[ . 1 . 2]" 1
638 1 26 LEU MD2 1 29 PHE HZ 4.520 . 4.520 4.110 3.279 4.541 0.021 17 0 "[ . 1 . 2]" 1
639 1 26 LEU MD2 1 34 VAL MG2 3.570 . 3.570 2.537 2.029 3.459 . 0 0 "[ . 1 . 2]" 1
640 1 26 LEU MD2 1 62 SER H 5.700 . 5.700 4.794 4.352 5.513 . 0 0 "[ . 1 . 2]" 1
641 1 26 LEU MD2 1 63 VAL HA 3.840 . 3.840 2.783 2.305 3.512 . 0 0 "[ . 1 . 2]" 1
642 1 26 LEU MD2 1 66 VAL MG2 3.720 . 3.720 2.165 1.927 2.796 . 0 0 "[ . 1 . 2]" 1
643 1 26 LEU HG 1 63 VAL HA 5.310 . 5.310 4.895 4.643 5.157 . 0 0 "[ . 1 . 2]" 1
644 1 27 ASN H 1 27 ASN QB 3.010 . 3.010 2.193 2.093 2.307 . 0 0 "[ . 1 . 2]" 1
645 1 27 ASN H 1 27 ASN HD21 5.700 . 5.700 3.920 2.631 4.608 . 0 0 "[ . 1 . 2]" 1
646 1 27 ASN H 1 27 ASN HD22 5.500 . 5.500 4.967 4.001 5.632 0.132 3 0 "[ . 1 . 2]" 1
647 1 27 ASN H 1 27 ASN HD22 3.580 . 3.580 2.594 2.466 2.705 . 0 0 "[ . 1 . 2]" 1
648 1 27 ASN H 1 34 VAL MG2 4.950 . 4.950 3.116 2.759 3.341 . 0 0 "[ . 1 . 2]" 1
649 1 27 ASN HA 1 29 PHE H 4.100 . 4.100 3.762 3.420 4.094 . 0 0 "[ . 1 . 2]" 1
650 1 27 ASN QB 1 27 ASN HD22 3.720 . 3.720 3.199 3.140 3.253 . 0 0 "[ . 1 . 2]" 1
651 1 27 ASN QB 1 27 ASN HD22 3.770 . 3.770 2.852 2.651 2.966 . 0 0 "[ . 1 . 2]" 1
652 1 27 ASN QB 1 28 ALA H 3.950 . 3.950 3.222 2.817 3.463 . 0 0 "[ . 1 . 2]" 1
653 1 27 ASN QB 1 28 ALA MB 4.790 . 4.790 3.973 3.642 4.156 . 0 0 "[ . 1 . 2]" 1
654 1 27 ASN QB 1 33 GLU HA 4.220 . 4.220 4.004 3.509 4.243 0.023 1 0 "[ . 1 . 2]" 1
655 1 27 ASN QB 1 34 VAL H 5.160 . 5.160 3.741 2.668 4.209 . 0 0 "[ . 1 . 2]" 1
656 1 27 ASN QB 1 34 VAL MG2 4.670 . 4.670 3.021 1.878 3.849 . 0 0 "[ . 1 . 2]" 1
657 1 27 ASN HD21 1 33 GLU HA 5.700 . 5.700 4.808 3.024 5.683 . 0 0 "[ . 1 . 2]" 1
658 1 27 ASN HD21 1 34 VAL H 4.870 . 4.870 3.802 2.358 4.600 . 0 0 "[ . 1 . 2]" 1
659 1 27 ASN HD21 1 34 VAL HB 4.290 . 4.290 3.767 2.419 4.329 0.039 19 0 "[ . 1 . 2]" 1
660 1 27 ASN HD21 1 34 VAL MG2 5.700 . 5.700 3.347 2.556 4.182 . 0 0 "[ . 1 . 2]" 1
661 1 27 ASN HD22 1 34 VAL MG2 4.270 . 4.270 2.531 2.184 3.107 . 0 0 "[ . 1 . 2]" 1
662 1 27 ASN HD22 1 33 GLU HA 5.380 . 5.380 4.426 3.513 5.048 . 0 0 "[ . 1 . 2]" 1
663 1 27 ASN HD22 1 34 VAL H 4.980 . 4.980 3.400 2.503 4.328 . 0 0 "[ . 1 . 2]" 1
664 1 27 ASN HD22 1 34 VAL HB 4.920 . 4.920 3.456 2.023 4.954 0.034 2 0 "[ . 1 . 2]" 1
665 1 27 ASN HD22 1 34 VAL MG2 5.700 . 5.700 3.566 2.308 4.858 . 0 0 "[ . 1 . 2]" 1
666 1 28 ALA H 1 28 ALA MB 3.190 . 3.190 2.296 2.230 2.383 . 0 0 "[ . 1 . 2]" 1
667 1 28 ALA H 1 29 PHE H 3.120 . 3.120 2.470 2.201 2.656 . 0 0 "[ . 1 . 2]" 1
668 1 28 ALA H 1 29 PHE HA 5.700 . 5.700 4.865 4.575 5.058 . 0 0 "[ . 1 . 2]" 1
669 1 28 ALA MB 1 29 PHE H 4.100 . 4.100 3.222 2.952 3.478 . 0 0 "[ . 1 . 2]" 1
670 1 28 ALA MB 1 29 PHE HA 5.130 . 5.130 3.947 3.794 4.137 . 0 0 "[ . 1 . 2]" 1
671 1 28 ALA MB 1 29 PHE QD 5.090 . 5.090 4.002 3.120 4.464 . 0 0 "[ . 1 . 2]" 1
672 1 29 PHE H 1 29 PHE HB2 3.750 . 3.750 2.249 2.038 2.483 . 0 0 "[ . 1 . 2]" 1
673 1 29 PHE H 1 29 PHE HB3 3.280 . 3.280 3.451 3.395 3.490 0.210 13 0 "[ . 1 . 2]" 1
674 1 29 PHE H 1 30 PRO HD3 5.700 . 5.700 4.646 4.561 4.799 . 0 0 "[ . 1 . 2]" 1
675 1 29 PHE H 1 32 CYS HB2 4.900 . 4.900 4.147 2.913 4.937 0.037 14 0 "[ . 1 . 2]" 1
676 1 29 PHE H 1 32 CYS HB3 4.940 . 4.940 3.743 3.119 4.773 . 0 0 "[ . 1 . 2]" 1
677 1 29 PHE HA 1 29 PHE QD 3.530 . 3.530 2.465 2.077 3.108 . 0 0 "[ . 1 . 2]" 1
678 1 29 PHE HA 1 30 PRO HD2 3.470 . 3.470 2.933 2.770 3.050 . 0 0 "[ . 1 . 2]" 1
679 1 29 PHE HA 1 30 PRO HD3 3.310 . 3.310 1.944 1.877 2.094 . 0 0 "[ . 1 . 2]" 1
680 1 29 PHE HA 1 30 PRO HG2 5.080 . 5.080 4.565 4.484 4.737 . 0 0 "[ . 1 . 2]" 1
681 1 29 PHE HA 1 30 PRO HG3 5.300 . 5.300 4.036 3.951 4.361 . 0 0 "[ . 1 . 2]" 1
682 1 29 PHE HB2 1 30 PRO HD2 4.120 . 4.120 4.118 3.915 4.162 0.042 17 0 "[ . 1 . 2]" 1
683 1 29 PHE HB2 1 30 PRO HD3 4.370 . 4.370 4.368 4.259 4.438 0.068 1 0 "[ . 1 . 2]" 1
684 1 29 PHE HB2 1 32 CYS HB2 4.980 . 4.980 2.512 1.847 3.199 . 0 0 "[ . 1 . 2]" 1
685 1 29 PHE HB2 1 32 CYS HB3 4.360 . 4.360 2.378 1.834 3.222 . 0 0 "[ . 1 . 2]" 1
686 1 29 PHE HB2 1 59 THR MG 5.140 . 5.140 3.612 2.658 4.569 . 0 0 "[ . 1 . 2]" 1
687 1 29 PHE HB3 1 32 CYS H 5.450 . 5.450 3.957 3.482 4.362 . 0 0 "[ . 1 . 2]" 1
688 1 29 PHE HB3 1 32 CYS HB2 5.080 . 5.080 3.306 2.712 4.045 . 0 0 "[ . 1 . 2]" 1
689 1 29 PHE HB3 1 32 CYS HB3 3.960 . 3.960 3.466 2.582 4.028 0.068 6 0 "[ . 1 . 2]" 1
690 1 29 PHE HB3 1 59 THR MG 5.700 . 5.700 2.721 1.981 3.342 . 0 0 "[ . 1 . 2]" 1
691 1 29 PHE QD 1 30 PRO HD2 5.060 . 5.060 3.403 2.584 4.007 . 0 0 "[ . 1 . 2]" 1
692 1 29 PHE QD 1 30 PRO HD3 5.140 . 5.140 3.166 2.462 4.064 . 0 0 "[ . 1 . 2]" 1
693 1 29 PHE QD 1 32 CYS H 5.380 . 5.380 5.394 5.139 5.460 0.080 7 0 "[ . 1 . 2]" 1
694 1 29 PHE QD 1 59 THR MG 4.370 . 4.370 3.722 2.956 4.376 0.006 6 0 "[ . 1 . 2]" 1
695 1 29 PHE QD 1 62 SER HB2 3.540 . 3.540 3.509 3.273 3.676 0.136 18 0 "[ . 1 . 2]" 1
696 1 29 PHE QD 1 62 SER HB2 5.150 . 5.150 4.025 3.662 4.788 . 0 0 "[ . 1 . 2]" 1
697 1 29 PHE QD 1 63 VAL H 4.970 . 4.970 3.692 3.424 3.778 . 0 0 "[ . 1 . 2]" 1
698 1 29 PHE QD 1 63 VAL MG2 3.700 . 3.700 2.705 2.353 3.191 . 0 0 "[ . 1 . 2]" 1
699 1 29 PHE QE 1 62 SER HB3 5.350 . 5.350 2.772 2.037 3.785 . 0 0 "[ . 1 . 2]" 1
700 1 29 PHE QE 1 62 SER HB2 4.670 . 4.670 4.102 3.228 4.686 0.016 13 0 "[ . 1 . 2]" 1
701 1 29 PHE QE 1 63 VAL H 5.700 . 5.700 4.284 2.942 4.684 . 0 0 "[ . 1 . 2]" 1
702 1 29 PHE QE 1 63 VAL HA 3.910 . 3.910 2.656 2.312 3.280 . 0 0 "[ . 1 . 2]" 1
703 1 29 PHE QE 1 63 VAL MG2 3.690 . 3.690 3.177 2.712 3.623 . 0 0 "[ . 1 . 2]" 1
704 1 29 PHE QE 1 66 VAL MG2 3.600 . 3.600 2.429 2.113 3.093 . 0 0 "[ . 1 . 2]" 1
705 1 29 PHE HZ 1 62 SER HA 5.440 . 5.440 4.785 4.393 5.279 . 0 0 "[ . 1 . 2]" 1
706 1 29 PHE HZ 1 62 SER HB3 5.260 . 5.260 3.890 3.112 5.123 . 0 0 "[ . 1 . 2]" 1
707 1 29 PHE HZ 1 63 VAL MG2 4.260 . 4.260 4.113 3.813 4.292 0.032 4 0 "[ . 1 . 2]" 1
708 1 29 PHE HZ 1 66 VAL MG2 3.150 . 3.150 2.438 2.054 2.685 . 0 0 "[ . 1 . 2]" 1
709 1 30 PRO HA 1 31 GLY H 3.160 . 3.160 2.230 2.131 3.351 0.191 15 0 "[ . 1 . 2]" 1
710 1 30 PRO HA 1 31 GLY H 3.050 . 3.050 2.136 2.073 2.549 . 0 0 "[ . 1 . 2]" 1
711 1 30 PRO HA 1 31 GLY HA2 5.120 . 5.120 4.348 4.302 4.412 . 0 0 "[ . 1 . 2]" 1
712 1 30 PRO HA 1 32 CYS H 4.500 . 4.500 3.711 3.389 4.436 . 0 0 "[ . 1 . 2]" 1
713 1 30 PRO HB3 1 31 GLY H 4.400 . 4.400 4.005 3.745 4.290 . 0 0 "[ . 1 . 2]" 1
714 1 31 GLY H 1 32 CYS H 3.750 . 3.750 2.378 2.068 2.681 . 0 0 "[ . 1 . 2]" 1
715 1 31 GLY H 1 32 CYS HA 5.160 . 5.160 3.568 3.215 4.160 . 0 0 "[ . 1 . 2]" 1
716 1 32 CYS H 1 32 CYS HB2 3.890 . 3.890 2.716 2.371 3.065 . 0 0 "[ . 1 . 2]" 1
717 1 32 CYS H 1 32 CYS HB3 3.520 . 3.520 2.840 2.239 3.625 0.105 10 0 "[ . 1 . 2]" 1
718 1 32 CYS H 1 33 GLU H 5.320 . 5.320 4.245 4.062 4.362 . 0 0 "[ . 1 . 2]" 1
719 1 32 CYS H 1 46 VAL MG1 5.140 . 5.140 3.791 3.483 4.073 . 0 0 "[ . 1 . 2]" 1
720 1 32 CYS H 1 48 VAL HA 5.410 . 5.410 4.710 4.411 5.328 . 0 0 "[ . 1 . 2]" 1
721 1 32 CYS HA 1 33 GLU H 3.270 . 3.270 2.160 2.123 2.222 . 0 0 "[ . 1 . 2]" 1
722 1 32 CYS HA 1 33 GLU QB 4.830 . 4.830 3.877 3.753 3.998 . 0 0 "[ . 1 . 2]" 1
723 1 32 CYS HA 1 46 VAL MG1 4.130 . 4.130 2.277 1.893 2.601 . 0 0 "[ . 1 . 2]" 1
724 1 32 CYS HA 1 48 VAL HA 3.950 . 3.950 2.411 2.170 3.120 . 0 0 "[ . 1 . 2]" 1
725 1 32 CYS HA 1 48 VAL HA 4.010 . 4.010 2.397 2.164 3.060 . 0 0 "[ . 1 . 2]" 1
726 1 32 CYS HA 1 48 VAL MG1 5.270 . 5.270 2.949 2.591 3.316 . 0 0 "[ . 1 . 2]" 1
727 1 32 CYS HB2 1 33 GLU H 4.250 . 4.250 4.252 4.116 4.306 0.056 3 0 "[ . 1 . 2]" 1
728 1 32 CYS HB2 1 46 VAL MG1 3.940 . 3.940 3.772 3.407 3.969 0.029 13 0 "[ . 1 . 2]" 1
729 1 32 CYS HB3 1 33 GLU H 4.900 . 4.900 3.993 3.335 4.378 . 0 0 "[ . 1 . 2]" 1
730 1 32 CYS HB3 1 46 VAL MG1 4.790 . 4.790 3.452 2.124 4.354 . 0 0 "[ . 1 . 2]" 1
731 1 32 CYS HB3 1 46 VAL MG1 4.400 . 4.400 3.172 2.114 3.988 . 0 0 "[ . 1 . 2]" 1
732 1 32 CYS HB3 1 48 VAL MG2 5.270 . 5.270 3.004 2.375 3.838 . 0 0 "[ . 1 . 2]" 1
733 1 33 GLU H 1 33 GLU QB 3.670 . 3.670 2.601 2.438 2.788 . 0 0 "[ . 1 . 2]" 1
734 1 33 GLU H 1 34 VAL H 5.050 . 5.050 4.288 4.167 4.405 . 0 0 "[ . 1 . 2]" 1
735 1 33 GLU H 1 46 VAL MG1 4.140 . 4.140 2.756 2.378 3.046 . 0 0 "[ . 1 . 2]" 1
736 1 33 GLU H 1 47 VAL H 4.080 . 4.080 3.137 2.840 3.412 . 0 0 "[ . 1 . 2]" 1
737 1 33 GLU H 1 48 VAL HA 5.060 . 5.060 3.509 3.120 3.861 . 0 0 "[ . 1 . 2]" 1
738 1 33 GLU HA 1 34 VAL H 3.110 . 3.110 2.167 2.056 2.345 . 0 0 "[ . 1 . 2]" 1
739 1 33 GLU QB 1 34 VAL H 4.280 . 4.280 3.598 3.452 3.794 . 0 0 "[ . 1 . 2]" 1
740 1 33 GLU QB 1 35 ALA MB 4.580 . 4.580 3.671 3.515 3.825 . 0 0 "[ . 1 . 2]" 1
741 1 33 GLU HG2 1 34 VAL H 5.220 . 5.220 2.780 2.267 4.409 . 0 0 "[ . 1 . 2]" 1
742 1 33 GLU HG2 1 34 VAL MG2 4.050 . 4.050 3.921 2.584 4.175 0.125 15 0 "[ . 1 . 2]" 1
743 1 33 GLU HG3 1 34 VAL H 5.210 . 5.210 2.961 2.672 3.430 . 0 0 "[ . 1 . 2]" 1
744 1 33 GLU HG3 1 34 VAL MG1 5.700 . 5.700 4.951 4.533 5.136 . 0 0 "[ . 1 . 2]" 1
745 1 34 VAL H 1 34 VAL HB 3.260 . 3.260 2.580 2.521 2.657 . 0 0 "[ . 1 . 2]" 1
746 1 34 VAL H 1 34 VAL MG2 3.660 . 3.660 2.109 1.916 2.356 . 0 0 "[ . 1 . 2]" 1
747 1 34 VAL H 1 35 ALA H 5.140 . 5.140 4.377 4.182 4.584 . 0 0 "[ . 1 . 2]" 1
748 1 34 VAL H 1 35 ALA H 4.420 . 4.420 4.011 3.895 4.154 . 0 0 "[ . 1 . 2]" 1
749 1 34 VAL H 1 46 VAL MG2 3.940 . 3.940 2.722 2.536 2.846 . 0 0 "[ . 1 . 2]" 1
750 1 34 VAL HA 1 34 VAL MG1 3.370 . 3.370 2.174 2.024 2.250 . 0 0 "[ . 1 . 2]" 1
751 1 34 VAL HA 1 34 VAL MG2 3.690 . 3.690 2.491 2.427 2.554 . 0 0 "[ . 1 . 2]" 1
752 1 34 VAL HA 1 35 ALA H 3.070 . 3.070 2.132 2.064 2.240 . 0 0 "[ . 1 . 2]" 1
753 1 34 VAL HA 1 35 ALA MB 4.640 . 4.640 3.971 3.912 4.028 . 0 0 "[ . 1 . 2]" 1
754 1 34 VAL HA 1 36 VAL H 4.650 . 4.650 4.170 3.732 4.650 0.000 8 0 "[ . 1 . 2]" 1
755 1 34 VAL HA 1 36 VAL HB 4.650 . 4.650 4.617 4.449 4.719 0.069 7 0 "[ . 1 . 2]" 1
756 1 34 VAL HA 1 46 VAL H 5.590 . 5.590 4.648 4.482 4.821 . 0 0 "[ . 1 . 2]" 1
757 1 34 VAL HA 1 46 VAL HA 3.800 . 3.800 2.116 2.012 2.278 . 0 0 "[ . 1 . 2]" 1
758 1 34 VAL HA 1 46 VAL HB 5.140 . 5.140 4.717 4.512 4.878 . 0 0 "[ . 1 . 2]" 1
759 1 34 VAL HA 1 47 VAL H 4.200 . 4.200 3.413 3.228 3.641 . 0 0 "[ . 1 . 2]" 1
760 1 34 VAL HB 1 35 ALA H 5.150 . 5.150 4.134 3.824 4.299 . 0 0 "[ . 1 . 2]" 1
761 1 34 VAL MG1 1 35 ALA H 3.730 . 3.730 2.766 2.301 3.106 . 0 0 "[ . 1 . 2]" 1
762 1 34 VAL MG1 1 35 ALA HA 4.960 . 4.960 4.087 3.728 4.377 . 0 0 "[ . 1 . 2]" 1
763 1 34 VAL MG1 1 36 VAL H 4.000 . 4.000 3.172 2.770 3.568 . 0 0 "[ . 1 . 2]" 1
764 1 34 VAL MG1 1 36 VAL H 3.740 . 3.740 2.503 2.286 2.633 . 0 0 "[ . 1 . 2]" 1
765 1 34 VAL MG1 1 36 VAL H 3.960 . 3.960 3.076 2.756 3.445 . 0 0 "[ . 1 . 2]" 1
766 1 34 VAL MG1 1 37 SER H 3.790 . 3.790 2.661 2.360 2.898 . 0 0 "[ . 1 . 2]" 1
767 1 34 VAL MG1 1 37 SER HB3 3.490 . 3.490 2.194 1.963 2.359 . 0 0 "[ . 1 . 2]" 1
768 1 34 VAL MG2 1 35 ALA H 4.610 . 4.610 4.150 4.036 4.285 . 0 0 "[ . 1 . 2]" 1
769 1 35 ALA H 1 35 ALA MB 3.560 . 3.560 2.323 2.231 2.461 . 0 0 "[ . 1 . 2]" 1
770 1 35 ALA H 1 36 VAL H 3.460 . 3.460 2.414 2.211 2.626 . 0 0 "[ . 1 . 2]" 1
771 1 35 ALA H 1 45 ILE H 5.400 . 5.400 4.340 3.985 4.616 . 0 0 "[ . 1 . 2]" 1
772 1 35 ALA H 1 46 VAL HA 3.750 . 3.750 2.762 2.474 3.041 . 0 0 "[ . 1 . 2]" 1
773 1 35 ALA HA 1 36 VAL HA 4.890 . 4.890 4.539 4.493 4.576 . 0 0 "[ . 1 . 2]" 1
774 1 35 ALA MB 1 36 VAL H 3.890 . 3.890 2.278 1.967 2.624 . 0 0 "[ . 1 . 2]" 1
775 1 35 ALA MB 1 36 VAL QG 4.390 . 4.390 2.495 2.384 2.568 . 0 0 "[ . 1 . 2]" 1
776 1 35 ALA MB 1 36 VAL QG 3.580 . 3.580 2.102 1.935 2.514 . 0 0 "[ . 1 . 2]" 1
777 1 35 ALA MB 1 45 ILE HB 4.160 . 4.160 3.124 2.789 3.540 . 0 0 "[ . 1 . 2]" 1
778 1 35 ALA MB 1 45 ILE MG 3.850 . 3.850 2.452 2.182 2.930 . 0 0 "[ . 1 . 2]" 1
779 1 35 ALA MB 1 47 VAL H 5.210 . 5.210 3.638 3.305 4.097 . 0 0 "[ . 1 . 2]" 1
780 1 35 ALA MB 1 47 VAL MG2 3.830 . 3.830 2.368 2.026 3.862 0.032 17 0 "[ . 1 . 2]" 1
781 1 36 VAL H 1 36 VAL HB 3.840 . 3.840 2.696 2.545 2.872 . 0 0 "[ . 1 . 2]" 1
782 1 36 VAL H 1 36 VAL QG 4.170 . 4.170 2.618 2.303 2.852 . 0 0 "[ . 1 . 2]" 1
783 1 36 VAL H 1 37 SER H 5.000 . 5.000 4.277 4.080 4.509 . 0 0 "[ . 1 . 2]" 1
784 1 36 VAL H 1 44 LEU HA 5.700 . 5.700 5.032 4.754 5.455 . 0 0 "[ . 1 . 2]" 1
785 1 36 VAL H 1 45 ILE H 3.930 . 3.930 3.239 2.970 3.560 . 0 0 "[ . 1 . 2]" 1
786 1 36 VAL H 1 45 ILE HB 4.030 . 4.030 2.137 1.905 2.470 . 0 0 "[ . 1 . 2]" 1
787 1 36 VAL H 1 45 ILE MD 5.420 . 5.420 4.873 4.035 5.113 . 0 0 "[ . 1 . 2]" 1
788 1 36 VAL H 1 45 ILE MG 5.170 . 5.170 3.118 2.787 3.510 . 0 0 "[ . 1 . 2]" 1
789 1 36 VAL HA 1 36 VAL QG 3.230 . 3.230 2.167 2.149 2.181 . 0 0 "[ . 1 . 2]" 1
790 1 36 VAL HA 1 37 SER H 3.040 . 3.040 2.179 2.131 2.258 . 0 0 "[ . 1 . 2]" 1
791 1 36 VAL HA 1 38 ASP H 5.110 . 5.110 4.418 4.289 4.569 . 0 0 "[ . 1 . 2]" 1
792 1 36 VAL HB 1 37 SER H 4.970 . 4.970 4.154 3.895 4.339 . 0 0 "[ . 1 . 2]" 1
793 1 36 VAL HB 1 45 ILE H 4.370 . 4.370 3.293 2.779 3.607 . 0 0 "[ . 1 . 2]" 1
794 1 36 VAL HB 1 45 ILE HG13 4.270 . 4.270 2.525 2.272 2.825 . 0 0 "[ . 1 . 2]" 1
795 1 36 VAL QG 1 37 SER H 4.290 . 4.290 2.718 2.368 3.045 . 0 0 "[ . 1 . 2]" 1
796 1 36 VAL QG 1 38 ASP HB2 4.670 . 4.670 3.585 2.468 4.644 . 0 0 "[ . 1 . 2]" 1
797 1 36 VAL QG 1 44 LEU HA 5.550 . 5.550 4.533 4.111 4.779 . 0 0 "[ . 1 . 2]" 1
798 1 36 VAL QG 1 45 ILE H 5.000 . 5.000 3.787 3.476 3.956 . 0 0 "[ . 1 . 2]" 1
799 1 37 SER H 1 37 SER HB2 4.030 . 4.030 3.072 2.591 3.747 . 0 0 "[ . 1 . 2]" 1
800 1 37 SER H 1 37 SER HB3 3.890 . 3.890 3.510 2.960 3.837 . 0 0 "[ . 1 . 2]" 1
801 1 37 SER H 1 44 LEU HA 5.540 . 5.540 5.088 4.883 5.262 . 0 0 "[ . 1 . 2]" 1
802 1 37 SER H 1 45 ILE H 5.490 . 5.490 4.841 4.764 4.913 . 0 0 "[ . 1 . 2]" 1
803 1 37 SER HA 1 38 ASP H 3.310 . 3.310 2.183 2.121 2.243 . 0 0 "[ . 1 . 2]" 1
804 1 37 SER HA 1 44 LEU MD2 5.700 . 5.700 2.173 1.898 3.630 . 0 0 "[ . 1 . 2]" 1
805 1 37 SER HA 1 45 ILE H 4.150 . 4.150 3.283 3.115 3.536 . 0 0 "[ . 1 . 2]" 1
806 1 37 SER HB2 1 38 ASP H 4.200 . 4.200 3.996 3.289 4.254 0.054 19 0 "[ . 1 . 2]" 1
807 1 37 SER HB2 1 38 ASP HA 5.110 . 5.110 4.248 3.970 4.420 . 0 0 "[ . 1 . 2]" 1
808 1 37 SER HB2 1 44 LEU MD2 4.570 . 4.570 3.216 2.410 3.714 . 0 0 "[ . 1 . 2]" 1
809 1 37 SER HB3 1 44 LEU HA 4.910 . 4.910 4.247 3.843 4.712 . 0 0 "[ . 1 . 2]" 1
810 1 37 SER HB3 1 44 LEU QB 4.160 . 4.160 4.134 3.216 4.247 0.087 16 0 "[ . 1 . 2]" 1
811 1 38 ASP H 1 38 ASP HB2 4.000 . 4.000 2.898 2.618 3.180 . 0 0 "[ . 1 . 2]" 1
812 1 38 ASP H 1 38 ASP HB3 3.890 . 3.890 3.118 2.552 3.866 . 0 0 "[ . 1 . 2]" 1
813 1 38 ASP H 1 39 ALA H 5.700 . 5.700 3.803 3.571 4.015 . 0 0 "[ . 1 . 2]" 1
814 1 38 ASP H 1 39 ALA MB 4.590 . 4.590 3.861 3.439 4.145 . 0 0 "[ . 1 . 2]" 1
815 1 38 ASP H 1 43 GLN H 4.960 . 4.960 3.703 3.288 4.042 . 0 0 "[ . 1 . 2]" 1
816 1 38 ASP HA 1 39 ALA H 3.550 . 3.550 2.153 2.099 2.224 . 0 0 "[ . 1 . 2]" 1
817 1 38 ASP HA 1 39 ALA MB 4.860 . 4.860 4.016 3.955 4.075 . 0 0 "[ . 1 . 2]" 1
818 1 38 ASP HA 1 40 PRO HD3 5.470 . 5.470 4.448 4.199 4.631 . 0 0 "[ . 1 . 2]" 1
819 1 38 ASP HB2 1 39 ALA H 5.270 . 5.270 4.329 4.146 4.392 . 0 0 "[ . 1 . 2]" 1
820 1 38 ASP HB2 1 40 PRO HG3 5.170 . 5.170 5.238 5.185 5.315 0.145 5 0 "[ . 1 . 2]" 1
821 1 38 ASP HB2 1 43 GLN H 5.170 . 5.170 3.970 2.537 5.161 . 0 0 "[ . 1 . 2]" 1
822 1 38 ASP HB2 1 43 GLN HB2 4.780 . 4.780 3.643 1.874 4.797 0.017 15 0 "[ . 1 . 2]" 1
823 1 38 ASP HB3 1 39 ALA H 5.500 . 5.500 4.184 3.816 4.431 . 0 0 "[ . 1 . 2]" 1
824 1 38 ASP HB3 1 40 PRO HG3 5.230 . 5.230 4.646 3.535 5.378 0.148 17 0 "[ . 1 . 2]" 1
825 1 38 ASP HB3 1 41 SER H 5.110 . 5.110 3.324 2.173 3.902 . 0 0 "[ . 1 . 2]" 1
826 1 38 ASP HB3 1 41 SER QB 4.860 . 4.860 3.287 2.506 4.428 . 0 0 "[ . 1 . 2]" 1
827 1 38 ASP HB3 1 42 GLY H 5.700 . 5.700 4.080 3.664 4.789 . 0 0 "[ . 1 . 2]" 1
828 1 38 ASP HB3 1 43 GLN H 4.190 . 4.190 3.354 2.668 4.168 . 0 0 "[ . 1 . 2]" 1
829 1 38 ASP HB3 1 43 GLN HB2 4.410 . 4.410 3.319 2.237 4.476 0.066 14 0 "[ . 1 . 2]" 1
830 1 38 ASP HB3 1 43 GLN HB3 4.840 . 4.840 4.233 3.658 4.939 0.099 5 0 "[ . 1 . 2]" 1
831 1 39 ALA H 1 40 PRO HD2 4.320 . 4.320 2.123 1.987 2.255 . 0 0 "[ . 1 . 2]" 1
832 1 39 ALA H 1 40 PRO HD3 4.420 . 4.420 3.536 3.379 3.689 . 0 0 "[ . 1 . 2]" 1
833 1 39 ALA H 1 43 GLN H 4.510 . 4.510 4.110 4.040 4.186 . 0 0 "[ . 1 . 2]" 1
834 1 39 ALA HA 1 43 GLN H 4.920 . 4.920 4.239 3.987 4.478 . 0 0 "[ . 1 . 2]" 1
835 1 39 ALA MB 1 40 PRO HD2 3.740 . 3.740 2.688 2.558 2.839 . 0 0 "[ . 1 . 2]" 1
836 1 39 ALA MB 1 40 PRO HD3 4.220 . 4.220 2.643 2.510 2.767 . 0 0 "[ . 1 . 2]" 1
837 1 40 PRO HA 1 41 SER HA 4.830 . 4.830 4.607 4.515 4.723 . 0 0 "[ . 1 . 2]" 1
838 1 40 PRO HB2 1 41 SER H 3.910 . 3.910 2.970 2.792 3.624 . 0 0 "[ . 1 . 2]" 1
839 1 40 PRO HB3 1 41 SER H 4.380 . 4.380 4.033 3.959 4.315 . 0 0 "[ . 1 . 2]" 1
840 1 40 PRO HD3 1 41 SER H 5.400 . 5.400 4.202 4.020 4.382 . 0 0 "[ . 1 . 2]" 1
841 1 40 PRO HD3 1 42 GLY H 4.360 . 4.360 3.126 2.764 3.690 . 0 0 "[ . 1 . 2]" 1
842 1 41 SER H 1 41 SER QB 3.370 . 3.370 2.524 2.281 2.821 . 0 0 "[ . 1 . 2]" 1
843 1 41 SER H 1 42 GLY H 3.600 . 3.600 2.267 1.907 2.432 . 0 0 "[ . 1 . 2]" 1
844 1 41 SER H 1 42 GLY HA2 5.700 . 5.700 4.557 4.153 4.768 . 0 0 "[ . 1 . 2]" 1
845 1 41 SER H 1 43 GLN H 5.310 . 5.310 3.597 3.261 3.734 . 0 0 "[ . 1 . 2]" 1
846 1 41 SER QB 1 42 GLY H 5.080 . 5.080 3.150 2.772 3.758 . 0 0 "[ . 1 . 2]" 1
847 1 41 SER QB 1 43 GLN H 4.990 . 4.990 2.955 2.406 3.819 . 0 0 "[ . 1 . 2]" 1
848 1 41 SER QB 1 43 GLN HB2 5.210 . 5.210 2.825 2.172 3.722 . 0 0 "[ . 1 . 2]" 1
849 1 41 SER QB 1 43 GLN HE21 5.230 . 5.230 3.579 2.292 4.699 . 0 0 "[ . 1 . 2]" 1
850 1 41 SER QB 1 43 GLN HE22 4.850 . 4.850 3.963 3.354 4.797 . 0 0 "[ . 1 . 2]" 1
851 1 41 SER QB 1 43 GLN HG3 4.790 . 4.790 3.120 2.119 4.786 . 0 0 "[ . 1 . 2]" 1
852 1 42 GLY H 1 43 GLN H 3.600 . 3.600 2.300 2.142 2.527 . 0 0 "[ . 1 . 2]" 1
853 1 43 GLN H 1 43 GLN HB2 3.440 . 3.440 2.496 2.299 2.665 . 0 0 "[ . 1 . 2]" 1
854 1 43 GLN H 1 43 GLN HB3 4.180 . 4.180 3.375 2.507 3.751 . 0 0 "[ . 1 . 2]" 1
855 1 43 GLN H 1 43 GLN HE22 5.700 . 5.700 5.724 5.596 5.789 0.089 2 0 "[ . 1 . 2]" 1
856 1 43 GLN H 1 43 GLN HG3 4.920 . 4.920 3.326 2.667 4.545 . 0 0 "[ . 1 . 2]" 1
857 1 43 GLN H 1 44 LEU H 4.960 . 4.960 4.318 4.214 4.399 . 0 0 "[ . 1 . 2]" 1
858 1 43 GLN HA 1 44 LEU H 2.980 . 2.980 2.072 1.985 2.144 . 0 0 "[ . 1 . 2]" 1
859 1 43 GLN HA 1 44 LEU MD1 5.030 . 5.030 4.928 2.784 5.071 0.041 19 0 "[ . 1 . 2]" 1
860 1 43 GLN HB2 1 44 LEU H 4.560 . 4.560 4.196 4.074 4.349 . 0 0 "[ . 1 . 2]" 1
861 1 43 GLN HB3 1 44 LEU H 3.960 . 3.960 3.397 3.011 3.976 0.016 7 0 "[ . 1 . 2]" 1
862 1 43 GLN HE22 1 43 GLN HG3 4.100 . 4.100 3.953 3.509 4.059 . 0 0 "[ . 1 . 2]" 1
863 1 43 GLN HE22 1 45 ILE MD 5.420 . 5.420 4.694 3.468 5.427 0.007 11 0 "[ . 1 . 2]" 1
864 1 43 GLN HG2 1 44 LEU H 5.010 . 5.010 3.846 2.877 4.345 . 0 0 "[ . 1 . 2]" 1
865 1 43 GLN HG3 1 44 LEU H 4.860 . 4.860 4.471 3.219 4.926 0.066 9 0 "[ . 1 . 2]" 1
866 1 44 LEU H 1 44 LEU QB 3.470 . 3.470 2.412 2.334 2.635 . 0 0 "[ . 1 . 2]" 1
867 1 44 LEU H 1 44 LEU MD1 4.620 . 4.620 3.870 2.314 4.050 . 0 0 "[ . 1 . 2]" 1
868 1 44 LEU H 1 44 LEU MD2 5.700 . 5.700 3.929 3.650 4.405 . 0 0 "[ . 1 . 2]" 1
869 1 44 LEU H 1 44 LEU HG 4.890 . 4.890 3.077 2.821 3.642 . 0 0 "[ . 1 . 2]" 1
870 1 44 LEU HA 1 44 LEU MD2 4.390 . 4.390 2.188 2.049 3.673 . 0 0 "[ . 1 . 2]" 1
871 1 44 LEU HA 1 45 ILE H 3.360 . 3.360 2.128 2.094 2.177 . 0 0 "[ . 1 . 2]" 1
872 1 44 LEU QB 1 44 LEU MD2 3.250 . 3.250 2.223 2.087 2.302 . 0 0 "[ . 1 . 2]" 1
873 1 44 LEU QB 1 45 ILE H 3.780 . 3.780 3.281 3.001 3.485 . 0 0 "[ . 1 . 2]" 1
874 1 44 LEU MD2 1 45 ILE H 5.700 . 5.700 3.706 3.446 4.727 . 0 0 "[ . 1 . 2]" 1
875 1 44 LEU MD2 1 45 ILE H 3.410 . 3.410 2.667 2.577 2.752 . 0 0 "[ . 1 . 2]" 1
876 1 45 ILE H 1 45 ILE HB 3.500 . 3.500 2.439 2.376 2.547 . 0 0 "[ . 1 . 2]" 1
877 1 45 ILE H 1 45 ILE MD 5.130 . 5.130 3.678 3.515 4.086 . 0 0 "[ . 1 . 2]" 1
878 1 45 ILE H 1 45 ILE HG12 4.400 . 4.400 2.751 2.511 3.822 . 0 0 "[ . 1 . 2]" 1
879 1 45 ILE H 1 45 ILE HG13 4.710 . 4.710 3.807 2.672 3.998 . 0 0 "[ . 1 . 2]" 1
880 1 45 ILE H 1 45 ILE MG 4.700 . 4.700 3.770 3.732 3.822 . 0 0 "[ . 1 . 2]" 1
881 1 45 ILE H 1 46 VAL H 5.410 . 5.410 4.312 4.256 4.340 . 0 0 "[ . 1 . 2]" 1
882 1 45 ILE HA 1 45 ILE MD 3.990 . 3.990 2.237 2.000 3.774 . 0 0 "[ . 1 . 2]" 1
883 1 45 ILE HA 1 45 ILE MD 3.510 . 3.510 2.024 1.928 2.476 . 0 0 "[ . 1 . 2]" 1
884 1 45 ILE HA 1 45 ILE HG12 4.370 . 4.370 2.968 2.419 3.119 . 0 0 "[ . 1 . 2]" 1
885 1 45 ILE HA 1 45 ILE MG 3.580 . 3.580 2.509 2.438 2.548 . 0 0 "[ . 1 . 2]" 1
886 1 45 ILE HA 1 46 VAL H 3.040 . 3.040 2.087 2.035 2.121 . 0 0 "[ . 1 . 2]" 1
887 1 45 ILE HA 1 46 VAL HB 4.980 . 4.980 4.526 4.400 4.614 . 0 0 "[ . 1 . 2]" 1
888 1 45 ILE HB 1 45 ILE MD 3.710 . 3.710 3.168 2.511 3.249 . 0 0 "[ . 1 . 2]" 1
889 1 45 ILE MD 1 46 VAL H 3.340 . 3.340 2.450 2.329 2.513 . 0 0 "[ . 1 . 2]" 1
890 1 45 ILE MD 1 46 VAL H 5.200 . 5.200 3.793 3.541 5.033 . 0 0 "[ . 1 . 2]" 1
891 1 45 ILE HG12 1 45 ILE MG 3.730 . 3.730 3.144 2.482 3.224 . 0 0 "[ . 1 . 2]" 1
892 1 45 ILE MG 1 46 VAL H 3.810 . 3.810 2.914 2.758 2.972 . 0 0 "[ . 1 . 2]" 1
893 1 46 VAL H 1 46 VAL HB 3.680 . 3.680 2.597 2.516 2.651 . 0 0 "[ . 1 . 2]" 1
894 1 46 VAL HA 1 47 VAL H 3.220 . 3.220 2.142 2.095 2.193 . 0 0 "[ . 1 . 2]" 1
895 1 46 VAL QG 1 47 VAL H 3.670 . 3.670 2.614 2.441 2.826 . 0 0 "[ . 1 . 2]" 1
896 1 47 VAL H 1 47 VAL HB 3.430 . 3.430 2.642 2.530 3.038 . 0 0 "[ . 1 . 2]" 1
897 1 47 VAL H 1 48 VAL H 5.130 . 5.130 4.232 4.116 4.371 . 0 0 "[ . 1 . 2]" 1
898 1 47 VAL HA 1 47 VAL MG1 3.360 . 3.360 2.481 2.370 3.261 . 0 0 "[ . 1 . 2]" 1
899 1 47 VAL HA 1 48 VAL H 3.190 . 3.190 2.086 2.053 2.201 . 0 0 "[ . 1 . 2]" 1
900 1 47 VAL HA 1 48 VAL HB 4.570 . 4.570 4.582 4.532 4.601 0.031 14 0 "[ . 1 . 2]" 1
901 1 47 VAL MG1 1 48 VAL H 3.580 . 3.580 2.415 2.331 2.687 . 0 0 "[ . 1 . 2]" 1
902 1 47 VAL MG1 1 49 GLU HA 5.550 . 5.550 4.305 3.986 5.105 . 0 0 "[ . 1 . 2]" 1
903 1 47 VAL MG2 1 48 VAL H 5.160 . 5.160 3.974 2.569 4.182 . 0 0 "[ . 1 . 2]" 1
904 1 48 VAL H 1 48 VAL HA 3.050 . 3.050 2.072 1.998 2.193 . 0 0 "[ . 1 . 2]" 1
905 1 48 VAL H 1 48 VAL HB 3.760 . 3.760 2.610 2.514 2.738 . 0 0 "[ . 1 . 2]" 1
906 1 48 VAL H 1 48 VAL HB 3.850 . 3.850 2.584 2.496 2.707 . 0 0 "[ . 1 . 2]" 1
907 1 48 VAL HA 1 49 GLU H 3.370 . 3.370 2.119 2.034 2.261 . 0 0 "[ . 1 . 2]" 1
908 1 48 VAL HB 1 59 THR HB 4.520 . 4.520 4.459 4.274 4.573 0.053 13 0 "[ . 1 . 2]" 1
909 1 48 VAL QG 1 49 GLU H 4.200 . 4.200 2.740 2.477 3.078 . 0 0 "[ . 1 . 2]" 1
910 1 48 VAL QG 1 59 THR HA 5.380 . 5.380 4.629 4.173 5.358 . 0 0 "[ . 1 . 2]" 1
911 1 48 VAL QG 1 59 THR HB 3.930 . 3.930 2.597 2.047 3.364 . 0 0 "[ . 1 . 2]" 1
912 1 48 VAL QG 1 59 THR MG 3.500 . 3.500 2.262 1.961 2.755 . 0 0 "[ . 1 . 2]" 1
913 1 48 VAL MG1 1 50 ALA MB 4.210 . 4.210 2.945 2.458 3.330 . 0 0 "[ . 1 . 2]" 1
914 1 48 VAL MG1 1 50 ALA MB 3.900 . 3.900 2.151 1.938 2.516 . 0 0 "[ . 1 . 2]" 1
915 1 48 VAL MG1 1 59 THR H 5.040 . 5.040 4.134 3.831 4.406 . 0 0 "[ . 1 . 2]" 1
916 1 48 VAL MG1 1 59 THR MG 4.180 . 4.180 2.319 2.015 2.856 . 0 0 "[ . 1 . 2]" 1
917 1 48 VAL MG2 1 50 ALA MB 5.510 . 5.510 5.223 4.728 5.542 0.032 5 0 "[ . 1 . 2]" 1
918 1 49 GLU H 1 49 GLU QG 4.360 . 4.360 2.657 1.884 3.784 . 0 0 "[ . 1 . 2]" 1
919 1 49 GLU HA 1 50 ALA H 3.480 . 3.480 2.141 2.021 2.230 . 0 0 "[ . 1 . 2]" 1
920 1 49 GLU QB 1 50 ALA H 4.120 . 4.120 3.194 2.750 3.400 . 0 0 "[ . 1 . 2]" 1
921 1 49 GLU QB 1 50 ALA MB 4.250 . 4.250 3.553 3.381 3.763 . 0 0 "[ . 1 . 2]" 1
922 1 49 GLU QG 1 50 ALA H 5.700 . 5.700 4.220 3.906 4.553 . 0 0 "[ . 1 . 2]" 1
923 1 50 ALA H 1 56 LEU MD1 5.590 . 5.590 2.962 2.325 3.853 . 0 0 "[ . 1 . 2]" 1
924 1 50 ALA HA 1 51 GLU H 3.660 . 3.660 2.278 2.126 2.503 . 0 0 "[ . 1 . 2]" 1
925 1 50 ALA HA 1 52 ASP H 5.020 . 5.020 4.547 3.937 5.047 0.027 2 0 "[ . 1 . 2]" 1
926 1 50 ALA HA 1 56 LEU MD1 5.580 . 5.580 4.351 4.101 4.722 . 0 0 "[ . 1 . 2]" 1
927 1 50 ALA MB 1 51 GLU H 4.100 . 4.100 2.562 2.150 2.899 . 0 0 "[ . 1 . 2]" 1
928 1 50 ALA MB 1 51 GLU H 4.500 . 4.500 2.519 2.140 2.795 . 0 0 "[ . 1 . 2]" 1
929 1 50 ALA MB 1 51 GLU HB2 3.990 . 3.990 3.862 3.589 4.024 0.034 3 0 "[ . 1 . 2]" 1
930 1 50 ALA MB 1 51 GLU HB3 5.370 . 5.370 4.035 3.418 4.410 . 0 0 "[ . 1 . 2]" 1
931 1 50 ALA MB 1 52 ASP H 3.870 . 3.870 3.005 2.665 3.257 . 0 0 "[ . 1 . 2]" 1
932 1 50 ALA MB 1 55 THR H 4.490 . 4.490 3.484 2.507 3.634 . 0 0 "[ . 1 . 2]" 1
933 1 50 ALA MB 1 55 THR HB 4.030 . 4.030 2.714 2.156 3.305 . 0 0 "[ . 1 . 2]" 1
934 1 50 ALA MB 1 58 GLN QB 5.120 . 5.120 3.747 3.298 4.323 . 0 0 "[ . 1 . 2]" 1
935 1 50 ALA MB 1 56 LEU H 4.300 . 4.300 3.075 2.821 3.313 . 0 0 "[ . 1 . 2]" 1
936 1 50 ALA MB 1 56 LEU HA 3.960 . 3.960 2.416 2.224 2.886 . 0 0 "[ . 1 . 2]" 1
937 1 50 ALA MB 1 56 LEU MD1 4.050 . 4.050 2.222 1.968 2.689 . 0 0 "[ . 1 . 2]" 1
938 1 51 GLU H 1 51 GLU HB3 4.350 . 4.350 2.674 2.394 3.564 . 0 0 "[ . 1 . 2]" 1
939 1 51 GLU H 1 51 GLU HG2 5.540 . 5.540 4.264 2.023 4.748 . 0 0 "[ . 1 . 2]" 1
940 1 51 GLU H 1 52 ASP H 3.800 . 3.800 2.624 2.066 3.070 . 0 0 "[ . 1 . 2]" 1
941 1 51 GLU H 1 55 THR HB 3.970 . 3.970 2.566 2.436 3.163 . 0 0 "[ . 1 . 2]" 1
942 1 51 GLU H 1 55 THR MG 4.470 . 4.470 3.298 2.497 3.564 . 0 0 "[ . 1 . 2]" 1
943 1 51 GLU HB3 1 52 ASP H 5.340 . 5.340 2.437 1.993 3.156 . 0 0 "[ . 1 . 2]" 1
944 1 51 GLU HB3 1 52 ASP HA 4.390 . 4.390 4.323 4.127 4.434 0.044 16 0 "[ . 1 . 2]" 1
945 1 51 GLU HB3 1 55 THR MG 4.710 . 4.710 4.564 3.630 4.773 0.063 6 0 "[ . 1 . 2]" 1
946 1 52 ASP H 1 55 THR H 5.320 . 5.320 4.338 3.568 5.072 . 0 0 "[ . 1 . 2]" 1
947 1 52 ASP H 1 55 THR HB 3.860 . 3.860 2.885 2.451 3.784 . 0 0 "[ . 1 . 2]" 1
948 1 52 ASP H 1 55 THR MG 5.080 . 5.080 3.624 3.196 3.885 . 0 0 "[ . 1 . 2]" 1
949 1 52 ASP HB2 1 53 SER H 4.860 . 4.860 3.888 3.388 4.139 . 0 0 "[ . 1 . 2]" 1
950 1 52 ASP HB2 1 54 GLU H 5.000 . 5.000 4.152 3.379 4.963 . 0 0 "[ . 1 . 2]" 1
951 1 52 ASP HB3 1 53 SER H 4.410 . 4.410 3.184 2.155 4.149 . 0 0 "[ . 1 . 2]" 1
952 1 52 ASP HB3 1 54 GLU H 4.330 . 4.330 3.242 2.530 4.351 0.021 6 0 "[ . 1 . 2]" 1
953 1 53 SER HA 1 55 THR H 3.520 . 3.520 2.520 2.402 3.093 . 0 0 "[ . 1 . 2]" 1
954 1 53 SER HA 1 57 ILE H 3.990 . 3.990 3.092 2.897 3.211 . 0 0 "[ . 1 . 2]" 1
955 1 53 SER HA 1 57 ILE HA 5.230 . 5.230 4.966 4.688 5.141 . 0 0 "[ . 1 . 2]" 1
956 1 53 SER HA 1 57 ILE HG12 5.090 . 5.090 3.559 2.481 4.368 . 0 0 "[ . 1 . 2]" 1
957 1 53 SER HA 1 57 ILE HG13 4.990 . 4.990 2.929 2.714 3.193 . 0 0 "[ . 1 . 2]" 1
958 1 53 SER HA 1 55 THR H 5.130 . 5.130 4.469 4.260 4.686 . 0 0 "[ . 1 . 2]" 1
959 1 53 SER HA 1 56 LEU H 3.540 . 3.540 2.562 2.316 3.100 . 0 0 "[ . 1 . 2]" 1
960 1 53 SER HA 1 56 LEU HB2 4.340 . 4.340 3.080 2.516 3.415 . 0 0 "[ . 1 . 2]" 1
961 1 53 SER HA 1 56 LEU HB3 3.930 . 3.930 2.842 2.520 3.375 . 0 0 "[ . 1 . 2]" 1
962 1 53 SER HA 1 56 LEU MD1 5.660 . 5.660 4.433 3.976 4.667 . 0 0 "[ . 1 . 2]" 1
963 1 53 SER HA 1 56 LEU MD2 5.240 . 5.240 3.257 2.903 3.745 . 0 0 "[ . 1 . 2]" 1
964 1 53 SER HA 1 56 LEU H 4.270 . 4.270 3.469 3.089 3.759 . 0 0 "[ . 1 . 2]" 1
965 1 53 SER HA 1 56 LEU HB2 3.900 . 3.900 3.170 2.533 3.584 . 0 0 "[ . 1 . 2]" 1
966 1 53 SER HA 1 56 LEU MD2 4.550 . 4.550 3.213 2.886 3.644 . 0 0 "[ . 1 . 2]" 1
967 1 53 SER HA 1 57 ILE H 4.940 . 4.940 4.285 3.868 4.636 . 0 0 "[ . 1 . 2]" 1
968 1 53 SER QB 1 54 GLU H 4.040 . 4.040 2.680 2.363 3.263 . 0 0 "[ . 1 . 2]" 1
969 1 54 GLU H 1 54 GLU HB2 3.660 . 3.660 2.996 2.146 3.687 0.027 6 0 "[ . 1 . 2]" 1
970 1 54 GLU H 1 54 GLU HB2 3.830 . 3.830 2.819 2.061 3.383 . 0 0 "[ . 1 . 2]" 1
971 1 54 GLU H 1 54 GLU HB3 3.260 . 3.260 2.675 2.312 3.414 0.154 12 0 "[ . 1 . 2]" 1
972 1 54 GLU H 1 54 GLU QG 3.970 . 3.970 2.998 1.842 4.007 0.037 17 0 "[ . 1 . 2]" 1
973 1 54 GLU H 1 54 GLU HG2 4.760 . 4.760 2.913 1.831 4.163 . 0 0 "[ . 1 . 2]" 1
974 1 54 GLU H 1 54 GLU HG3 4.660 . 4.660 3.747 2.053 4.519 . 0 0 "[ . 1 . 2]" 1
975 1 54 GLU H 1 55 THR MG 5.700 . 5.700 5.631 4.602 5.749 0.049 9 0 "[ . 1 . 2]" 1
976 1 54 GLU H 1 56 LEU H 4.920 . 4.920 3.905 3.759 4.006 . 0 0 "[ . 1 . 2]" 1
977 1 54 GLU H 1 57 ILE H 5.700 . 5.700 4.682 4.522 4.856 . 0 0 "[ . 1 . 2]" 1
978 1 54 GLU H 1 57 ILE MD 5.700 . 5.700 4.894 4.205 5.720 0.020 3 0 "[ . 1 . 2]" 1
979 1 54 GLU HA 1 54 GLU HB2 3.060 . 3.060 2.303 2.103 2.486 . 0 0 "[ . 1 . 2]" 1
980 1 54 GLU HA 1 54 GLU QG 3.600 . 3.600 2.892 2.339 3.536 . 0 0 "[ . 1 . 2]" 1
981 1 54 GLU HA 1 54 GLU HG3 4.200 . 4.200 3.223 2.490 4.251 0.051 19 0 "[ . 1 . 2]" 1
982 1 54 GLU HA 1 57 ILE H 4.200 . 4.200 3.180 2.944 3.351 . 0 0 "[ . 1 . 2]" 1
983 1 54 GLU HA 1 57 ILE HB 3.800 . 3.800 2.713 2.299 3.046 . 0 0 "[ . 1 . 2]" 1
984 1 54 GLU HA 1 57 ILE MD 4.060 . 4.060 3.040 2.167 4.135 0.075 5 0 "[ . 1 . 2]" 1
985 1 54 GLU HA 1 57 ILE HG12 4.500 . 4.500 3.651 2.495 4.540 0.040 17 0 "[ . 1 . 2]" 1
986 1 54 GLU HA 1 58 GLN H 4.970 . 4.970 4.020 3.730 4.290 . 0 0 "[ . 1 . 2]" 1
987 1 54 GLU HB3 1 55 THR H 3.950 . 3.950 3.260 2.349 3.900 . 0 0 "[ . 1 . 2]" 1
988 1 54 GLU QG 1 55 THR H 5.630 . 5.630 3.094 2.038 4.159 . 0 0 "[ . 1 . 2]" 1
989 1 55 THR H 1 56 LEU H 3.690 . 3.690 2.609 2.506 2.731 . 0 0 "[ . 1 . 2]" 1
990 1 55 THR HA 1 58 GLN QB 3.420 . 3.420 2.803 2.430 3.426 0.006 9 0 "[ . 1 . 2]" 1
991 1 55 THR HB 1 56 LEU H 4.100 . 4.100 2.664 2.385 3.776 . 0 0 "[ . 1 . 2]" 1
992 1 55 THR MG 1 59 THR H 5.590 . 5.590 4.324 3.972 5.389 . 0 0 "[ . 1 . 2]" 1
993 1 55 THR MG 1 58 GLN QB 5.110 . 5.110 3.806 3.338 4.431 . 0 0 "[ . 1 . 2]" 1
994 1 56 LEU H 1 56 LEU HB2 3.390 . 3.390 2.448 2.295 2.579 . 0 0 "[ . 1 . 2]" 1
995 1 56 LEU H 1 56 LEU HB3 3.410 . 3.410 2.509 2.397 2.626 . 0 0 "[ . 1 . 2]" 1
996 1 56 LEU H 1 56 LEU MD1 5.300 . 5.300 4.056 3.905 4.158 . 0 0 "[ . 1 . 2]" 1
997 1 56 LEU H 1 56 LEU MD2 5.570 . 5.570 4.220 4.160 4.294 . 0 0 "[ . 1 . 2]" 1
998 1 56 LEU H 1 56 LEU HG 5.220 . 5.220 4.465 4.401 4.507 . 0 0 "[ . 1 . 2]" 1
999 1 56 LEU H 1 57 ILE H 3.800 . 3.800 2.688 2.536 2.839 . 0 0 "[ . 1 . 2]" 1
1000 1 56 LEU HA 1 56 LEU MD1 3.640 . 3.640 2.151 2.075 2.230 . 0 0 "[ . 1 . 2]" 1
1001 1 56 LEU HA 1 56 LEU MD2 3.110 . 3.110 2.362 1.990 2.987 . 0 0 "[ . 1 . 2]" 1
1002 1 56 LEU HA 1 59 THR H 4.560 . 4.560 3.469 3.366 3.653 . 0 0 "[ . 1 . 2]" 1
1003 1 56 LEU HA 1 59 THR HB 3.940 . 3.940 3.086 2.838 3.354 . 0 0 "[ . 1 . 2]" 1
1004 1 56 LEU HB2 1 57 ILE H 4.380 . 4.380 3.687 3.595 3.786 . 0 0 "[ . 1 . 2]" 1
1005 1 56 LEU HB3 1 56 LEU MD2 3.600 . 3.600 2.275 2.243 2.308 . 0 0 "[ . 1 . 2]" 1
1006 1 56 LEU HB3 1 57 ILE H 3.950 . 3.950 2.335 2.283 2.461 . 0 0 "[ . 1 . 2]" 1
1007 1 56 LEU MD1 1 59 THR H 5.700 . 5.700 4.154 3.855 4.670 . 0 0 "[ . 1 . 2]" 1
1008 1 56 LEU MD1 1 59 THR HB 4.980 . 4.980 3.575 3.214 4.053 . 0 0 "[ . 1 . 2]" 1
1009 1 56 LEU MD1 1 59 THR MG 5.140 . 5.140 4.201 3.742 4.583 . 0 0 "[ . 1 . 2]" 1
1010 1 56 LEU MD2 1 57 ILE H 4.240 . 4.240 3.165 2.834 3.396 . 0 0 "[ . 1 . 2]" 1
1011 1 56 LEU HG 1 57 ILE H 5.340 . 5.340 3.698 3.511 3.993 . 0 0 "[ . 1 . 2]" 1
1012 1 56 LEU HG 1 60 ILE MD 3.700 . 3.700 2.220 1.995 2.686 . 0 0 "[ . 1 . 2]" 1
1013 1 57 ILE H 1 57 ILE HB 3.240 . 3.240 2.608 2.546 2.683 . 0 0 "[ . 1 . 2]" 1
1014 1 57 ILE H 1 57 ILE MD 4.350 . 4.350 3.340 2.896 3.611 . 0 0 "[ . 1 . 2]" 1
1015 1 57 ILE H 1 57 ILE HG12 3.870 . 3.870 2.811 2.026 3.375 . 0 0 "[ . 1 . 2]" 1
1016 1 57 ILE H 1 57 ILE HG13 3.780 . 3.780 2.665 1.968 3.653 . 0 0 "[ . 1 . 2]" 1
1017 1 57 ILE H 1 57 ILE MG 3.940 . 3.940 3.433 3.374 3.523 . 0 0 "[ . 1 . 2]" 1
1018 1 57 ILE H 1 58 GLN H 3.690 . 3.690 2.836 2.733 2.947 . 0 0 "[ . 1 . 2]" 1
1019 1 57 ILE H 1 58 GLN HA 4.040 . 4.040 3.434 3.070 3.872 . 0 0 "[ . 1 . 2]" 1
1020 1 57 ILE H 1 59 THR H 4.760 . 4.760 3.540 3.453 3.684 . 0 0 "[ . 1 . 2]" 1
1021 1 57 ILE H 1 60 ILE MD 4.600 . 4.600 3.933 3.709 4.101 . 0 0 "[ . 1 . 2]" 1
1022 1 57 ILE HA 1 57 ILE MD 4.110 . 4.110 3.159 2.049 3.878 . 0 0 "[ . 1 . 2]" 1
1023 1 57 ILE HA 1 57 ILE HG12 3.640 . 3.640 2.804 2.501 3.269 . 0 0 "[ . 1 . 2]" 1
1024 1 57 ILE HA 1 57 ILE HG13 3.820 . 3.820 3.325 2.979 3.803 . 0 0 "[ . 1 . 2]" 1
1025 1 57 ILE HA 1 57 ILE MG 3.480 . 3.480 2.432 2.384 2.474 . 0 0 "[ . 1 . 2]" 1
1026 1 57 ILE HA 1 59 THR H 4.250 . 4.250 3.362 3.258 3.559 . 0 0 "[ . 1 . 2]" 1
1027 1 57 ILE HA 1 60 ILE H 4.330 . 4.330 3.490 3.363 3.703 . 0 0 "[ . 1 . 2]" 1
1028 1 57 ILE HA 1 60 ILE HA 5.660 . 5.660 5.438 5.237 5.633 . 0 0 "[ . 1 . 2]" 1
1029 1 57 ILE HA 1 60 ILE HB 3.190 . 3.190 2.709 2.433 2.955 . 0 0 "[ . 1 . 2]" 1
1030 1 57 ILE HA 1 60 ILE MD 3.770 . 3.770 2.656 2.276 3.202 . 0 0 "[ . 1 . 2]" 1
1031 1 57 ILE HA 1 60 ILE MD 3.330 . 3.330 2.643 2.270 3.173 . 0 0 "[ . 1 . 2]" 1
1032 1 57 ILE HA 1 61 GLU H 5.080 . 5.080 4.067 3.729 4.417 . 0 0 "[ . 1 . 2]" 1
1033 1 57 ILE HB 1 57 ILE MD 3.570 . 3.570 2.762 2.402 3.259 . 0 0 "[ . 1 . 2]" 1
1034 1 57 ILE HB 1 58 GLN H 3.740 . 3.740 2.463 2.349 2.595 . 0 0 "[ . 1 . 2]" 1
1035 1 57 ILE HB 1 58 GLN QB 4.820 . 4.820 4.476 3.901 4.710 . 0 0 "[ . 1 . 2]" 1
1036 1 57 ILE HG12 1 57 ILE MG 3.530 . 3.530 2.716 2.374 3.215 . 0 0 "[ . 1 . 2]" 1
1037 1 57 ILE HG13 1 58 GLN H 5.260 . 5.260 4.435 4.069 4.856 . 0 0 "[ . 1 . 2]" 1
1038 1 57 ILE MG 1 58 GLN H 4.160 . 4.160 3.334 3.156 3.494 . 0 0 "[ . 1 . 2]" 1
1039 1 57 ILE MG 1 58 GLN HA 4.610 . 4.610 3.402 3.093 3.591 . 0 0 "[ . 1 . 2]" 1
1040 1 57 ILE MG 1 59 THR H 5.420 . 5.420 4.284 4.191 4.388 . 0 0 "[ . 1 . 2]" 1
1041 1 58 GLN H 1 58 GLN QB 3.240 . 3.240 2.410 2.059 2.577 . 0 0 "[ . 1 . 2]" 1
1042 1 58 GLN H 1 58 GLN HG2 4.340 . 4.340 3.235 2.196 4.382 0.042 11 0 "[ . 1 . 2]" 1
1043 1 58 GLN H 1 58 GLN HG3 4.030 . 4.030 2.944 2.131 4.166 0.136 16 0 "[ . 1 . 2]" 1
1044 1 58 GLN H 1 59 THR H 3.590 . 3.590 2.744 2.662 2.857 . 0 0 "[ . 1 . 2]" 1
1045 1 58 GLN H 1 61 GLU H 5.320 . 5.320 4.688 4.535 4.899 . 0 0 "[ . 1 . 2]" 1
1046 1 58 GLN HA 1 58 GLN HG2 4.240 . 4.240 2.874 2.491 3.870 . 0 0 "[ . 1 . 2]" 1
1047 1 58 GLN HA 1 58 GLN HG3 4.300 . 4.300 3.214 2.383 3.787 . 0 0 "[ . 1 . 2]" 1
1048 1 58 GLN QB 1 59 THR H 3.590 . 3.590 2.612 2.381 2.817 . 0 0 "[ . 1 . 2]" 1
1049 1 58 GLN QB 1 59 THR HA 5.310 . 5.310 3.938 3.772 4.373 . 0 0 "[ . 1 . 2]" 1
1050 1 59 THR H 1 59 THR HB 3.380 . 3.380 2.581 2.498 2.653 . 0 0 "[ . 1 . 2]" 1
1051 1 59 THR H 1 59 THR HB 3.390 . 3.390 2.326 2.229 2.403 . 0 0 "[ . 1 . 2]" 1
1052 1 59 THR H 1 59 THR MG 4.630 . 4.630 3.741 3.714 3.769 . 0 0 "[ . 1 . 2]" 1
1053 1 59 THR H 1 59 THR MG 4.560 . 4.560 3.291 3.190 3.352 . 0 0 "[ . 1 . 2]" 1
1054 1 59 THR HA 1 59 THR MG 3.640 . 3.640 2.335 2.303 2.375 . 0 0 "[ . 1 . 2]" 1
1055 1 59 THR HA 1 61 GLU H 4.080 . 4.080 3.181 3.003 3.410 . 0 0 "[ . 1 . 2]" 1
1056 1 59 THR HB 1 60 ILE H 3.850 . 3.850 2.653 2.478 2.861 . 0 0 "[ . 1 . 2]" 1
1057 1 59 THR HB 1 60 ILE HA 5.180 . 5.180 4.290 4.151 4.440 . 0 0 "[ . 1 . 2]" 1
1058 1 59 THR HB 1 60 ILE HB 4.830 . 4.830 3.310 3.023 3.624 . 0 0 "[ . 1 . 2]" 1
1059 1 59 THR HB 1 60 ILE MD 5.680 . 5.680 4.757 4.452 5.048 . 0 0 "[ . 1 . 2]" 1
1060 1 59 THR HB 1 61 GLU H 5.700 . 5.700 5.051 4.901 5.384 . 0 0 "[ . 1 . 2]" 1
1061 1 59 THR MG 1 60 ILE H 4.980 . 4.980 3.654 3.473 3.795 . 0 0 "[ . 1 . 2]" 1
1062 1 59 THR MG 1 60 ILE HA 5.020 . 5.020 3.816 3.654 4.002 . 0 0 "[ . 1 . 2]" 1
1063 1 59 THR MG 1 60 ILE HB 4.780 . 4.780 4.128 3.846 4.415 . 0 0 "[ . 1 . 2]" 1
1064 1 59 THR MG 1 60 ILE MD 5.500 . 5.500 5.218 4.930 5.510 0.010 8 0 "[ . 1 . 2]" 1
1065 1 59 THR MG 1 61 GLU H 5.610 . 5.610 3.818 3.738 3.894 . 0 0 "[ . 1 . 2]" 1
1066 1 59 THR MG 1 63 VAL MG2 3.770 . 3.770 2.913 2.518 3.194 . 0 0 "[ . 1 . 2]" 1
1067 1 60 ILE H 1 60 ILE HB 3.140 . 3.140 2.503 2.401 2.560 . 0 0 "[ . 1 . 2]" 1
1068 1 60 ILE H 1 60 ILE MD 3.990 . 3.990 3.604 3.459 3.707 . 0 0 "[ . 1 . 2]" 1
1069 1 60 ILE H 1 60 ILE MD 3.500 . 3.500 2.990 2.958 3.044 . 0 0 "[ . 1 . 2]" 1
1070 1 60 ILE H 1 60 ILE HG12 4.320 . 4.320 3.442 3.373 3.534 . 0 0 "[ . 1 . 2]" 1
1071 1 60 ILE H 1 60 ILE HG13 3.900 . 3.900 2.179 2.110 2.296 . 0 0 "[ . 1 . 2]" 1
1072 1 60 ILE H 1 60 ILE MG 4.280 . 4.280 3.784 3.751 3.804 . 0 0 "[ . 1 . 2]" 1
1073 1 60 ILE H 1 61 GLU H 3.710 . 3.710 2.647 2.498 2.789 . 0 0 "[ . 1 . 2]" 1
1074 1 60 ILE H 1 62 SER H 4.980 . 4.980 4.122 3.931 4.413 . 0 0 "[ . 1 . 2]" 1
1075 1 60 ILE H 1 63 VAL HB 5.680 . 5.680 5.159 4.838 5.373 . 0 0 "[ . 1 . 2]" 1
1076 1 60 ILE HA 1 60 ILE MD 3.960 . 3.960 3.848 3.810 3.885 . 0 0 "[ . 1 . 2]" 1
1077 1 60 ILE HA 1 60 ILE MD 3.040 . 3.040 2.216 2.207 2.229 . 0 0 "[ . 1 . 2]" 1
1078 1 60 ILE HA 1 60 ILE HG12 4.120 . 4.120 2.535 2.464 2.600 . 0 0 "[ . 1 . 2]" 1
1079 1 60 ILE HA 1 60 ILE HG13 3.470 . 3.470 2.989 2.873 3.068 . 0 0 "[ . 1 . 2]" 1
1080 1 60 ILE HA 1 60 ILE MG 3.560 . 3.560 2.475 2.422 2.526 . 0 0 "[ . 1 . 2]" 1
1081 1 60 ILE HA 1 63 VAL H 4.350 . 4.350 3.312 3.130 3.464 . 0 0 "[ . 1 . 2]" 1
1082 1 60 ILE HA 1 63 VAL HB 3.540 . 3.540 2.594 2.337 2.914 . 0 0 "[ . 1 . 2]" 1
1083 1 60 ILE HA 1 63 VAL MG2 4.230 . 4.230 2.705 2.254 3.023 . 0 0 "[ . 1 . 2]" 1
1084 1 60 ILE HB 1 61 GLU H 3.510 . 3.510 2.717 2.545 2.943 . 0 0 "[ . 1 . 2]" 1
1085 1 60 ILE MD 1 61 GLU H 4.040 . 4.040 3.333 3.179 3.500 . 0 0 "[ . 1 . 2]" 1
1086 1 60 ILE MD 1 62 SER H 5.150 . 5.150 4.549 4.438 4.639 . 0 0 "[ . 1 . 2]" 1
1087 1 60 ILE HG13 1 63 VAL H 5.200 . 5.200 4.593 4.389 4.723 . 0 0 "[ . 1 . 2]" 1
1088 1 60 ILE MG 1 61 GLU H 3.990 . 3.990 3.283 3.184 3.432 . 0 0 "[ . 1 . 2]" 1
1089 1 60 ILE MG 1 61 GLU HA 4.480 . 4.480 3.527 3.334 3.801 . 0 0 "[ . 1 . 2]" 1
1090 1 60 ILE MG 1 63 VAL H 4.360 . 4.360 3.554 3.507 3.630 . 0 0 "[ . 1 . 2]" 1
1091 1 60 ILE MG 1 63 VAL HB 4.710 . 4.710 3.393 2.942 3.705 . 0 0 "[ . 1 . 2]" 1
1092 1 60 ILE MG 1 64 ARG H 4.040 . 4.040 2.991 2.862 3.234 . 0 0 "[ . 1 . 2]" 1
1093 1 60 ILE MG 1 64 ARG HG2 4.100 . 4.100 2.035 1.827 2.270 . 0 0 "[ . 1 . 2]" 1
1094 1 60 ILE MG 1 64 ARG HG3 4.300 . 4.300 2.448 2.197 2.722 . 0 0 "[ . 1 . 2]" 1
1095 1 60 ILE MG 1 64 ARG QB 4.220 . 4.220 3.216 2.918 3.371 . 0 0 "[ . 1 . 2]" 1
1096 1 60 ILE MG 1 64 ARG QD 4.020 . 4.020 2.550 2.009 3.370 . 0 0 "[ . 1 . 2]" 1
1097 1 61 GLU H 1 61 GLU QB 3.160 . 3.160 2.379 2.164 2.658 . 0 0 "[ . 1 . 2]" 1
1098 1 61 GLU H 1 61 GLU HB2 3.480 . 3.480 2.431 2.270 3.363 . 0 0 "[ . 1 . 2]" 1
1099 1 61 GLU H 1 61 GLU HB3 3.510 . 3.510 2.788 2.089 3.310 . 0 0 "[ . 1 . 2]" 1
1100 1 61 GLU HA 1 64 ARG H 4.380 . 4.380 3.250 2.926 3.571 . 0 0 "[ . 1 . 2]" 1
1101 1 61 GLU HA 1 64 ARG QB 3.580 . 3.580 2.700 2.101 3.008 . 0 0 "[ . 1 . 2]" 1
1102 1 61 GLU HA 1 64 ARG QD 4.150 . 4.150 3.141 2.031 4.141 . 0 0 "[ . 1 . 2]" 1
1103 1 61 GLU HA 1 64 ARG HG2 5.420 . 5.420 4.511 3.935 5.183 . 0 0 "[ . 1 . 2]" 1
1104 1 61 GLU HA 1 64 ARG HG3 5.000 . 5.000 3.007 2.278 3.700 . 0 0 "[ . 1 . 2]" 1
1105 1 61 GLU HA 1 65 ASN H 4.850 . 4.850 4.665 4.232 4.868 0.018 6 0 "[ . 1 . 2]" 1
1106 1 61 GLU HA 1 65 ASN HD21 5.670 . 5.670 4.409 3.598 5.581 . 0 0 "[ . 1 . 2]" 1
1107 1 61 GLU HA 1 65 ASN HD22 5.700 . 5.700 4.790 4.375 5.116 . 0 0 "[ . 1 . 2]" 1
1108 1 61 GLU QB 1 62 SER H 3.610 . 3.610 2.649 2.235 3.523 . 0 0 "[ . 1 . 2]" 1
1109 1 61 GLU QB 1 65 ASN HD21 5.520 . 5.520 4.118 3.148 5.051 . 0 0 "[ . 1 . 2]" 1
1110 1 62 SER H 1 62 SER HB2 3.680 . 3.680 2.168 2.004 2.456 . 0 0 "[ . 1 . 2]" 1
1111 1 62 SER H 1 62 SER HB2 3.770 . 3.770 2.338 2.233 2.477 . 0 0 "[ . 1 . 2]" 1
1112 1 62 SER H 1 62 SER HB3 3.440 . 3.440 3.226 2.607 3.497 0.057 8 0 "[ . 1 . 2]" 1
1113 1 62 SER H 1 62 SER HB3 3.460 . 3.460 2.839 2.323 3.078 . 0 0 "[ . 1 . 2]" 1
1114 1 62 SER H 1 63 VAL MG2 5.310 . 5.310 4.169 3.932 4.369 . 0 0 "[ . 1 . 2]" 1
1115 1 62 SER HA 1 62 SER HB2 2.950 . 2.950 2.843 2.519 2.980 0.030 16 0 "[ . 1 . 2]" 1
1116 1 62 SER HA 1 65 ASN H 4.240 . 4.240 3.459 3.229 3.687 . 0 0 "[ . 1 . 2]" 1
1117 1 62 SER HA 1 65 ASN HB2 4.020 . 4.020 2.583 2.429 2.899 . 0 0 "[ . 1 . 2]" 1
1118 1 62 SER HA 1 65 ASN HB3 4.630 . 4.630 4.137 3.997 4.417 . 0 0 "[ . 1 . 2]" 1
1119 1 62 SER HA 1 65 ASN HD21 4.990 . 4.990 3.003 2.067 4.170 . 0 0 "[ . 1 . 2]" 1
1120 1 62 SER HA 1 65 ASN HD22 4.800 . 4.800 3.997 3.184 4.624 . 0 0 "[ . 1 . 2]" 1
1121 1 62 SER HB2 1 65 ASN H 4.520 . 4.520 3.746 3.597 3.889 . 0 0 "[ . 1 . 2]" 1
1122 1 62 SER HB2 1 65 ASN HB2 5.170 . 5.170 5.136 4.875 5.225 0.055 12 0 "[ . 1 . 2]" 1
1123 1 62 SER HB3 1 63 VAL H 4.210 . 4.210 3.154 2.578 3.420 . 0 0 "[ . 1 . 2]" 1
1124 1 62 SER HB3 1 63 VAL HB 5.320 . 5.320 5.337 4.978 5.463 0.143 14 0 "[ . 1 . 2]" 1
1125 1 62 SER HB3 1 65 ASN HB2 5.070 . 5.070 4.613 4.299 5.125 0.055 18 0 "[ . 1 . 2]" 1
1126 1 63 VAL H 1 63 VAL HB 3.440 . 3.440 2.295 2.119 2.563 . 0 0 "[ . 1 . 2]" 1
1127 1 63 VAL H 1 63 VAL HB 3.430 . 3.430 2.150 2.038 2.330 . 0 0 "[ . 1 . 2]" 1
1128 1 63 VAL H 1 63 VAL MG1 4.220 . 4.220 3.092 2.930 3.230 . 0 0 "[ . 1 . 2]" 1
1129 1 63 VAL H 1 63 VAL MG2 3.450 . 3.450 2.168 2.064 2.350 . 0 0 "[ . 1 . 2]" 1
1130 1 63 VAL H 1 66 VAL MG2 5.550 . 5.550 4.716 4.282 5.523 . 0 0 "[ . 1 . 2]" 1
1131 1 63 VAL HA 1 63 VAL MG1 3.370 . 3.370 2.543 2.456 2.633 . 0 0 "[ . 1 . 2]" 1
1132 1 63 VAL HA 1 63 VAL MG2 3.330 . 3.330 2.312 2.241 2.414 . 0 0 "[ . 1 . 2]" 1
1133 1 63 VAL HA 1 64 ARG HA 4.890 . 4.890 4.767 4.696 4.891 0.001 18 0 "[ . 1 . 2]" 1
1134 1 63 VAL HA 1 66 VAL H 4.210 . 4.210 3.969 3.671 4.230 0.020 2 0 "[ . 1 . 2]" 1
1135 1 63 VAL HA 1 66 VAL MG2 3.410 . 3.410 2.659 2.322 3.379 . 0 0 "[ . 1 . 2]" 1
1136 1 63 VAL HB 1 64 ARG H 3.710 . 3.710 2.628 2.540 2.728 . 0 0 "[ . 1 . 2]" 1
1137 1 63 VAL HB 1 64 ARG HA 4.430 . 4.430 3.598 3.131 4.034 . 0 0 "[ . 1 . 2]" 1
1138 1 63 VAL HB 1 64 ARG QD 5.230 . 5.230 5.108 4.771 5.313 0.083 18 0 "[ . 1 . 2]" 1
1139 1 64 ARG H 1 64 ARG QB 3.350 . 3.350 2.482 2.311 2.608 . 0 0 "[ . 1 . 2]" 1
1140 1 64 ARG H 1 64 ARG QD 4.530 . 4.530 4.028 3.669 4.337 . 0 0 "[ . 1 . 2]" 1
1141 1 64 ARG H 1 64 ARG HG2 4.770 . 4.770 3.416 3.079 3.794 . 0 0 "[ . 1 . 2]" 1
1142 1 64 ARG H 1 64 ARG HG3 4.380 . 4.380 2.315 2.103 2.567 . 0 0 "[ . 1 . 2]" 1
1143 1 64 ARG H 1 65 ASN H 3.390 . 3.390 2.534 2.462 2.632 . 0 0 "[ . 1 . 2]" 1
1144 1 64 ARG H 1 66 VAL H 5.700 . 5.700 4.234 4.032 4.375 . 0 0 "[ . 1 . 2]" 1
1145 1 64 ARG H 1 72 VAL QG 5.500 . 5.500 3.759 3.168 4.582 . 0 0 "[ . 1 . 2]" 1
1146 1 64 ARG HA 1 64 ARG QD 4.310 . 4.310 4.074 3.905 4.276 . 0 0 "[ . 1 . 2]" 1
1147 1 64 ARG HA 1 64 ARG HG2 4.130 . 4.130 2.572 2.471 2.665 . 0 0 "[ . 1 . 2]" 1
1148 1 64 ARG HA 1 66 VAL H 5.110 . 5.110 3.537 3.332 3.821 . 0 0 "[ . 1 . 2]" 1
1149 1 64 ARG HA 1 72 VAL HB 5.280 . 5.280 4.512 3.811 5.287 0.007 7 0 "[ . 1 . 2]" 1
1150 1 64 ARG HA 1 72 VAL QG 3.700 . 3.700 2.639 2.057 3.440 . 0 0 "[ . 1 . 2]" 1
1151 1 64 ARG QB 1 64 ARG QD 3.280 . 3.280 2.298 2.031 2.400 . 0 0 "[ . 1 . 2]" 1
1152 1 64 ARG QB 1 65 ASN H 3.600 . 3.600 3.153 2.820 3.298 . 0 0 "[ . 1 . 2]" 1
1153 1 64 ARG QB 1 65 ASN HD21 5.700 . 5.700 3.802 2.865 5.680 . 0 0 "[ . 1 . 2]" 1
1154 1 64 ARG QD 1 72 VAL H 5.700 . 5.700 4.936 4.415 5.573 . 0 0 "[ . 1 . 2]" 1
1155 1 64 ARG QD 1 72 VAL HB 5.420 . 5.420 3.774 2.814 5.438 0.018 17 0 "[ . 1 . 2]" 1
1156 1 64 ARG QD 1 72 VAL QG 5.200 . 5.200 3.086 2.050 3.810 . 0 0 "[ . 1 . 2]" 1
1157 1 65 ASN H 1 65 ASN HB2 3.130 . 3.130 2.301 2.221 2.353 . 0 0 "[ . 1 . 2]" 1
1158 1 65 ASN H 1 65 ASN HB3 3.550 . 3.550 3.553 3.473 3.594 0.044 19 0 "[ . 1 . 2]" 1
1159 1 65 ASN H 1 65 ASN HD22 4.490 . 4.490 4.356 4.095 4.534 0.044 9 0 "[ . 1 . 2]" 1
1160 1 65 ASN H 1 66 VAL H 3.380 . 3.380 2.481 2.344 2.674 . 0 0 "[ . 1 . 2]" 1
1161 1 65 ASN H 1 66 VAL MG2 4.770 . 4.770 3.594 3.397 3.863 . 0 0 "[ . 1 . 2]" 1
1162 1 65 ASN HB2 1 65 ASN HD22 3.820 . 3.820 3.571 3.444 3.789 . 0 0 "[ . 1 . 2]" 1
1163 1 65 ASN HB2 1 66 VAL H 4.640 . 4.640 3.647 3.318 3.891 . 0 0 "[ . 1 . 2]" 1
1164 1 65 ASN HB3 1 65 ASN HD22 4.220 . 4.220 3.983 3.746 4.070 . 0 0 "[ . 1 . 2]" 1
1165 1 65 ASN HB3 1 66 VAL H 5.530 . 5.530 4.090 3.848 4.317 . 0 0 "[ . 1 . 2]" 1
1166 1 66 VAL H 1 66 VAL HB 3.010 . 3.010 2.561 2.489 2.632 . 0 0 "[ . 1 . 2]" 1
1167 1 66 VAL H 1 66 VAL MG1 4.590 . 4.590 3.799 3.763 3.864 . 0 0 "[ . 1 . 2]" 1
1168 1 66 VAL H 1 66 VAL MG2 3.450 . 3.450 2.321 2.177 2.547 . 0 0 "[ . 1 . 2]" 1
1169 1 66 VAL H 1 67 GLU H 4.680 . 4.680 4.415 4.217 4.520 . 0 0 "[ . 1 . 2]" 1
1170 1 66 VAL H 1 67 GLU H 4.550 . 4.550 4.281 4.045 4.404 . 0 0 "[ . 1 . 2]" 1
1171 1 66 VAL HA 1 66 VAL MG1 3.440 . 3.440 2.366 2.299 2.431 . 0 0 "[ . 1 . 2]" 1
1172 1 66 VAL HA 1 66 VAL MG2 3.310 . 3.310 2.403 2.349 2.465 . 0 0 "[ . 1 . 2]" 1
1173 1 66 VAL HA 1 67 GLU H 2.760 . 2.760 2.034 1.879 2.180 . 0 0 "[ . 1 . 2]" 1
1174 1 66 VAL HA 1 67 GLU H 2.780 . 2.780 2.031 1.875 2.175 . 0 0 "[ . 1 . 2]" 1
1175 1 66 VAL HA 1 68 GLY H 5.230 . 5.230 4.811 3.989 5.371 0.141 20 0 "[ . 1 . 2]" 1
1176 1 66 VAL HB 1 67 GLU H 4.950 . 4.950 3.843 3.508 4.121 . 0 0 "[ . 1 . 2]" 1
1177 1 66 VAL MG1 1 67 GLU H 3.710 . 3.710 2.348 1.679 2.828 . 0 0 "[ . 1 . 2]" 1
1178 1 66 VAL MG1 1 67 GLU HA 5.020 . 5.020 3.705 3.246 4.157 . 0 0 "[ . 1 . 2]" 1
1179 1 66 VAL MG1 1 67 GLU HG3 4.570 . 4.570 4.536 3.253 4.847 0.277 10 0 "[ . 1 . 2]" 1
1180 1 66 VAL MG2 1 67 GLU H 4.280 . 4.280 3.840 3.576 4.052 . 0 0 "[ . 1 . 2]" 1
1181 1 67 GLU H 1 67 GLU HA 3.120 . 3.120 2.206 1.833 2.687 . 0 0 "[ . 1 . 2]" 1
1182 1 67 GLU H 1 67 GLU HB3 3.370 . 3.370 3.128 2.194 3.509 0.139 2 0 "[ . 1 . 2]" 1
1183 1 67 GLU H 1 67 GLU HG2 4.290 . 4.290 2.727 1.569 3.380 . 0 0 "[ . 1 . 2]" 1
1184 1 67 GLU H 1 67 GLU HG3 4.370 . 4.370 2.591 2.079 3.683 . 0 0 "[ . 1 . 2]" 1
1185 1 67 GLU H 1 69 VAL H 5.700 . 5.700 4.562 3.932 5.055 . 0 0 "[ . 1 . 2]" 1
1186 1 67 GLU HA 1 67 GLU HG2 4.270 . 4.270 2.716 2.158 3.673 . 0 0 "[ . 1 . 2]" 1
1187 1 67 GLU HA 1 67 GLU HG3 3.860 . 3.860 3.106 2.255 3.851 . 0 0 "[ . 1 . 2]" 1
1188 1 67 GLU HA 1 69 VAL H 3.980 . 3.980 3.398 2.830 4.069 0.089 17 0 "[ . 1 . 2]" 1
1189 1 67 GLU HG2 1 69 VAL H 5.090 . 5.090 5.149 4.833 5.290 0.200 9 0 "[ . 1 . 2]" 1
1190 1 67 GLU HG3 1 68 GLY H 4.960 . 4.960 4.210 2.316 4.954 . 0 0 "[ . 1 . 2]" 1
1191 1 68 GLY H 1 69 VAL H 3.450 . 3.450 2.129 1.610 2.870 . 0 0 "[ . 1 . 2]" 1
1192 1 68 GLY H 1 69 VAL QG 4.880 . 4.880 3.526 2.429 4.122 . 0 0 "[ . 1 . 2]" 1
1193 1 68 GLY HA2 1 69 VAL QG 5.090 . 5.090 4.603 4.367 4.778 . 0 0 "[ . 1 . 2]" 1
1194 1 69 VAL H 1 69 VAL HB 2.940 . 2.940 2.584 2.482 2.674 . 0 0 "[ . 1 . 2]" 1
1195 1 69 VAL H 1 69 VAL QG 3.260 . 3.260 2.340 2.158 2.540 . 0 0 "[ . 1 . 2]" 1
1196 1 69 VAL H 1 70 LEU H 4.850 . 4.850 4.522 4.431 4.610 . 0 0 "[ . 1 . 2]" 1
1197 1 69 VAL HA 1 69 VAL QG 3.060 . 3.060 2.145 2.115 2.235 . 0 0 "[ . 1 . 2]" 1
1198 1 69 VAL HA 1 70 LEU H 3.060 . 3.060 2.179 2.076 2.274 . 0 0 "[ . 1 . 2]" 1
1199 1 69 VAL HA 1 70 LEU HB2 5.160 . 5.160 4.529 4.412 4.737 . 0 0 "[ . 1 . 2]" 1
1200 1 69 VAL HA 1 70 LEU HG 4.540 . 4.540 3.686 3.437 3.902 . 0 0 "[ . 1 . 2]" 1
1201 1 69 VAL HA 1 71 ALA H 4.500 . 4.500 4.180 3.935 4.415 . 0 0 "[ . 1 . 2]" 1
1202 1 69 VAL QG 1 70 LEU H 3.700 . 3.700 2.392 2.213 2.715 . 0 0 "[ . 1 . 2]" 1
1203 1 69 VAL QG 1 71 ALA H 3.530 . 3.530 2.752 2.370 3.106 . 0 0 "[ . 1 . 2]" 1
1204 1 69 VAL QG 1 71 ALA HA 4.250 . 4.250 3.176 3.001 3.386 . 0 0 "[ . 1 . 2]" 1
1205 1 70 LEU H 1 70 LEU HB2 3.680 . 3.680 2.470 2.416 2.565 . 0 0 "[ . 1 . 2]" 1
1206 1 70 LEU H 1 70 LEU HB3 4.160 . 4.160 3.628 3.576 3.700 . 0 0 "[ . 1 . 2]" 1
1207 1 70 LEU H 1 70 LEU QD 4.800 . 4.800 3.272 3.118 3.425 . 0 0 "[ . 1 . 2]" 1
1208 1 70 LEU H 1 70 LEU HG 3.920 . 3.920 2.642 2.469 2.906 . 0 0 "[ . 1 . 2]" 1
1209 1 70 LEU H 1 71 ALA H 3.210 . 3.210 2.220 1.958 2.358 . 0 0 "[ . 1 . 2]" 1
1210 1 70 LEU H 1 71 ALA MB 5.150 . 5.150 4.434 4.224 4.570 . 0 0 "[ . 1 . 2]" 1
1211 1 70 LEU H 1 72 VAL H 5.640 . 5.640 5.688 5.612 5.736 0.096 13 0 "[ . 1 . 2]" 1
1212 1 70 LEU HA 1 70 LEU QD 3.300 . 3.300 2.120 2.049 2.222 . 0 0 "[ . 1 . 2]" 1
1213 1 70 LEU HA 1 70 LEU HG 4.380 . 4.380 3.159 3.061 3.340 . 0 0 "[ . 1 . 2]" 1
1214 1 70 LEU HB2 1 71 ALA H 4.340 . 4.340 2.230 2.029 2.620 . 0 0 "[ . 1 . 2]" 1
1215 1 70 LEU HB2 1 71 ALA H 3.440 . 3.440 2.110 1.966 2.377 . 0 0 "[ . 1 . 2]" 1
1216 1 70 LEU HB3 1 70 LEU QD 3.240 . 3.240 2.108 2.084 2.131 . 0 0 "[ . 1 . 2]" 1
1217 1 70 LEU HB3 1 71 ALA H 4.400 . 4.400 3.390 3.204 3.692 . 0 0 "[ . 1 . 2]" 1
1218 1 70 LEU QD 1 71 ALA H 5.590 . 5.590 3.834 3.682 4.084 . 0 0 "[ . 1 . 2]" 1
1219 1 70 LEU HG 1 71 ALA H 5.220 . 5.220 4.088 3.795 4.321 . 0 0 "[ . 1 . 2]" 1
1220 1 71 ALA H 1 72 VAL H 4.890 . 4.890 4.092 3.951 4.178 . 0 0 "[ . 1 . 2]" 1
1221 1 71 ALA HA 1 72 VAL H 3.030 . 3.030 2.121 2.076 2.159 . 0 0 "[ . 1 . 2]" 1
1222 1 71 ALA HA 1 72 VAL HB 4.960 . 4.960 4.681 4.567 4.854 . 0 0 "[ . 1 . 2]" 1
1223 1 71 ALA MB 1 72 VAL H 3.830 . 3.830 3.055 2.930 3.283 . 0 0 "[ . 1 . 2]" 1
1224 1 71 ALA MB 1 73 SER HB2 4.690 . 4.690 4.554 3.858 4.810 0.120 8 0 "[ . 1 . 2]" 1
1225 1 71 ALA MB 1 73 SER HB3 5.330 . 5.330 4.777 4.503 5.052 . 0 0 "[ . 1 . 2]" 1
1226 1 72 VAL H 1 72 VAL HB 3.620 . 3.620 2.758 2.571 3.290 . 0 0 "[ . 1 . 2]" 1
1227 1 72 VAL H 1 72 VAL QG 3.870 . 3.870 2.459 2.106 2.676 . 0 0 "[ . 1 . 2]" 1
1228 1 72 VAL HA 1 73 SER H 2.930 . 2.930 2.104 1.996 2.177 . 0 0 "[ . 1 . 2]" 1
1229 1 73 SER H 1 73 SER HB2 3.890 . 3.890 2.496 2.286 2.845 . 0 0 "[ . 1 . 2]" 1
1230 1 73 SER HA 1 74 LEU H 3.240 . 3.240 2.142 2.083 2.251 . 0 0 "[ . 1 . 2]" 1
1231 1 73 SER HB3 1 74 LEU H 4.120 . 4.120 3.664 2.938 4.165 0.045 11 0 "[ . 1 . 2]" 1
1232 1 74 LEU H 1 74 LEU QB 3.200 . 3.200 2.200 2.090 2.303 . 0 0 "[ . 1 . 2]" 1
1233 1 74 LEU H 1 74 LEU QB 3.770 . 3.770 2.186 2.079 2.287 . 0 0 "[ . 1 . 2]" 1
1234 1 74 LEU H 1 74 LEU QD 4.340 . 4.340 3.606 3.406 3.754 . 0 0 "[ . 1 . 2]" 1
1235 1 74 LEU H 1 74 LEU MD1 4.400 . 4.400 3.977 3.648 4.102 . 0 0 "[ . 1 . 2]" 1
1236 1 74 LEU H 1 74 LEU MD2 4.830 . 4.830 2.572 1.935 3.275 . 0 0 "[ . 1 . 2]" 1
1237 1 74 LEU H 1 74 LEU HG 4.480 . 4.480 3.656 3.137 3.898 . 0 0 "[ . 1 . 2]" 1
1238 1 74 LEU HA 1 74 LEU MD1 4.620 . 4.620 3.826 3.652 3.875 . 0 0 "[ . 1 . 2]" 1
1239 1 74 LEU HA 1 74 LEU MD2 3.800 . 3.800 2.476 2.135 3.080 . 0 0 "[ . 1 . 2]" 1
1240 1 74 LEU HA 1 74 LEU MD2 4.780 . 4.780 2.476 2.142 3.217 . 0 0 "[ . 1 . 2]" 1
1241 1 74 LEU HA 1 75 VAL H 3.260 . 3.260 2.139 2.048 2.234 . 0 0 "[ . 1 . 2]" 1
1242 1 74 LEU HA 1 75 VAL HA 5.170 . 5.170 3.905 3.787 4.210 . 0 0 "[ . 1 . 2]" 1
1243 1 74 LEU HA 1 76 TYR H 4.770 . 4.770 4.356 3.629 4.863 0.093 14 0 "[ . 1 . 2]" 1
1244 1 74 LEU QB 1 75 VAL H 4.080 . 4.080 3.449 3.140 3.630 . 0 0 "[ . 1 . 2]" 1
1245 1 74 LEU QB 1 75 VAL HA 5.210 . 5.210 4.465 4.321 4.772 . 0 0 "[ . 1 . 2]" 1
1246 1 74 LEU QD 1 76 TYR H 4.330 . 4.330 2.384 1.732 2.920 . 0 0 "[ . 1 . 2]" 1
1247 1 74 LEU QD 1 76 TYR HB3 5.530 . 5.530 2.560 1.951 3.777 . 0 0 "[ . 1 . 2]" 1
1248 1 74 LEU MD2 1 75 VAL H 3.680 . 3.680 2.165 1.831 2.458 . 0 0 "[ . 1 . 2]" 1
1249 1 74 LEU MD2 1 75 VAL HB 5.120 . 5.120 4.229 3.522 4.993 . 0 0 "[ . 1 . 2]" 1
1250 1 74 LEU MD2 1 76 TYR HB2 5.390 . 5.390 2.665 1.951 4.003 . 0 0 "[ . 1 . 2]" 1
1251 1 74 LEU MD2 1 76 TYR HB3 5.560 . 5.560 2.773 1.956 4.761 . 0 0 "[ . 1 . 2]" 1
1252 1 75 VAL H 1 75 VAL HB 3.750 . 3.750 2.424 2.198 2.598 . 0 0 "[ . 1 . 2]" 1
1253 1 75 VAL H 1 76 TYR H 4.850 . 4.850 3.217 2.151 3.883 . 0 0 "[ . 1 . 2]" 1
1254 1 75 VAL HA 1 75 VAL QG 3.340 . 3.340 2.159 2.124 2.271 . 0 0 "[ . 1 . 2]" 1
1255 1 75 VAL HA 1 76 TYR H 3.370 . 3.370 2.716 2.040 3.449 0.079 5 0 "[ . 1 . 2]" 1
1256 1 75 VAL HA 1 76 TYR HB2 5.090 . 5.090 4.948 4.603 5.217 0.127 18 0 "[ . 1 . 2]" 1
1257 1 75 VAL HB 1 76 TYR H 4.810 . 4.810 3.832 2.155 4.435 . 0 0 "[ . 1 . 2]" 1
1258 1 76 TYR H 1 76 TYR HB2 4.050 . 4.050 3.182 2.516 3.681 . 0 0 "[ . 1 . 2]" 1
1259 1 76 TYR H 1 76 TYR HB2 4.220 . 4.220 3.030 2.422 3.550 . 0 0 "[ . 1 . 2]" 1
1260 1 77 HIS HA 1 78 GLN H 3.270 . 3.270 2.275 2.095 2.689 . 0 0 "[ . 1 . 2]" 1
1261 1 81 GLU HA 1 82 GLN H 3.450 . 3.450 3.466 3.359 3.516 0.066 16 0 "[ . 1 . 2]" 1
1262 1 81 GLU HB2 1 82 GLN H 4.110 . 4.110 3.372 2.092 3.986 . 0 0 "[ . 1 . 2]" 1
1263 1 81 GLU HB3 1 82 GLN H 4.150 . 4.150 3.248 2.070 4.114 . 0 0 "[ . 1 . 2]" 1
1264 1 82 GLN H 1 82 GLN HB2 4.010 . 4.010 3.193 2.460 3.965 . 0 0 "[ . 1 . 2]" 1
1265 1 82 GLN H 1 82 GLN QG 4.780 . 4.780 3.062 2.092 4.512 . 0 0 "[ . 1 . 2]" 1
1266 1 82 GLN HA 1 82 GLN QG 3.560 . 3.560 2.832 2.427 3.398 . 0 0 "[ . 1 . 2]" 1
1267 1 82 GLN HA 1 83 GLY H 3.720 . 3.720 2.661 2.121 3.566 . 0 0 "[ . 1 . 2]" 1
1268 1 82 GLN HA 1 83 GLY HA3 5.180 . 5.180 4.472 4.294 4.781 . 0 0 "[ . 1 . 2]" 1
1269 1 82 GLN QG 1 83 GLY H 5.700 . 5.700 3.640 2.024 4.858 . 0 0 "[ . 1 . 2]" 1
1270 1 83 GLY QA 1 84 GLU H 3.720 . 3.720 2.264 2.060 2.537 . 0 0 "[ . 1 . 2]" 1
1271 1 83 GLY HA2 1 84 GLU HA 4.510 . 4.510 4.405 4.237 4.566 0.056 12 0 "[ . 1 . 2]" 1
1272 1 85 GLU HA 1 86 THR H 3.750 . 3.750 2.618 2.075 3.597 . 0 0 "[ . 1 . 2]" 1
1273 1 85 GLU QB 1 86 THR H 5.360 . 5.360 3.031 1.870 3.793 . 0 0 "[ . 1 . 2]" 1
1274 1 86 THR H 1 87 PRO HB3 5.700 . 5.700 5.634 5.379 5.800 0.100 19 0 "[ . 1 . 2]" 1
1275 1 86 THR HA 1 87 PRO HD2 3.470 . 3.470 2.350 1.991 2.723 . 0 0 "[ . 1 . 2]" 1
1276 1 86 THR HA 1 87 PRO HD3 3.180 . 3.180 2.215 2.019 2.602 . 0 0 "[ . 1 . 2]" 1
1277 1 86 THR MG 1 87 PRO HD2 4.850 . 4.850 3.524 2.463 4.783 . 0 0 "[ . 1 . 2]" 1
1278 1 86 THR MG 1 87 PRO HD3 5.430 . 5.430 4.050 3.656 4.844 . 0 0 "[ . 1 . 2]" 1
1279 1 87 PRO HB2 1 88 ARG HG3 4.770 . 4.770 4.452 3.451 4.895 0.125 8 0 "[ . 1 . 2]" 1
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