NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582567 |
2mlb   |
19811 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mlb
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 1111
_Distance_constraint_stats_list.Viol_count 766
_Distance_constraint_stats_list.Viol_total 774.993
_Distance_constraint_stats_list.Viol_max 0.288
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0506
_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 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 0.033 0.013 16 0 "[ . 1 . 2]"
1 4 ILE 0.223 0.046 10 0 "[ . 1 . 2]"
1 5 ASN 5.814 0.190 17 0 "[ . 1 . 2]"
1 6 ILE 0.482 0.076 7 0 "[ . 1 . 2]"
1 7 THR 0.790 0.041 16 0 "[ . 1 . 2]"
1 8 LEU 5.691 0.214 2 0 "[ . 1 . 2]"
1 9 PRO 0.006 0.003 19 0 "[ . 1 . 2]"
1 10 ASP 1.592 0.117 19 0 "[ . 1 . 2]"
1 11 GLY 0.540 0.139 14 0 "[ . 1 . 2]"
1 12 LYS 0.004 0.004 12 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.354 0.035 12 0 "[ . 1 . 2]"
1 15 THR 0.058 0.026 7 0 "[ . 1 . 2]"
1 16 LEU 1.164 0.061 14 0 "[ . 1 . 2]"
1 17 THR 0.370 0.174 19 0 "[ . 1 . 2]"
1 18 VAL 0.026 0.026 19 0 "[ . 1 . 2]"
1 19 THR 0.893 0.098 2 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.434 0.079 17 0 "[ . 1 . 2]"
1 22 PHE 5.349 0.196 15 0 "[ . 1 . 2]"
1 23 THR 0.025 0.010 12 0 "[ . 1 . 2]"
1 24 VAL 0.560 0.038 1 0 "[ . 1 . 2]"
1 25 LYS 0.029 0.028 8 0 "[ . 1 . 2]"
1 26 GLU 0.087 0.026 17 0 "[ . 1 . 2]"
1 27 LEU 3.126 0.121 13 0 "[ . 1 . 2]"
1 28 ALA 0.095 0.024 11 0 "[ . 1 . 2]"
1 29 GLU 0.616 0.169 17 0 "[ . 1 . 2]"
1 30 GLU 0.940 0.063 7 0 "[ . 1 . 2]"
1 31 ILE 0.334 0.063 7 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.315 0.087 6 0 "[ . 1 . 2]"
1 35 LEU 0.009 0.009 1 0 "[ . 1 . 2]"
1 36 GLY 0.007 0.007 6 0 "[ . 1 . 2]"
1 37 LEU 1.129 0.076 12 0 "[ . 1 . 2]"
1 38 SER 1.077 0.076 12 0 "[ . 1 . 2]"
1 39 PRO 0.020 0.020 15 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.108 0.033 13 0 "[ . 1 . 2]"
1 42 ILE 1.042 0.041 1 0 "[ . 1 . 2]"
1 43 LYS 0.260 0.024 13 0 "[ . 1 . 2]"
1 44 LEU 0.093 0.024 11 0 "[ . 1 . 2]"
1 45 THR 0.401 0.040 3 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASN 0.477 0.055 10 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.477 0.055 10 0 "[ . 1 . 2]"
1 50 THR 0.013 0.011 5 0 "[ . 1 . 2]"
1 51 LEU 0.456 0.040 3 0 "[ . 1 . 2]"
1 52 ASP 0.298 0.054 3 0 "[ . 1 . 2]"
1 53 PRO 0.001 0.001 4 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 7.605 0.288 18 0 "[ . 1 . 2]"
1 56 THR 2.397 0.135 7 0 "[ . 1 . 2]"
1 57 LEU 0.227 0.025 8 0 "[ . 1 . 2]"
1 58 ALA 0.009 0.009 7 0 "[ . 1 . 2]"
1 59 GLU 0.887 0.054 15 0 "[ . 1 . 2]"
1 60 TYR 2.607 0.099 15 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.047 0.023 15 0 "[ . 1 . 2]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PRO 0.043 0.013 7 0 "[ . 1 . 2]"
1 65 GLY 0.624 0.049 5 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 THR 0.287 0.025 2 0 "[ . 1 . 2]"
1 68 ILE 0.401 0.047 7 0 "[ . 1 . 2]"
1 69 THR 1.602 0.093 14 0 "[ . 1 . 2]"
1 70 LEU 1.966 0.081 5 0 "[ . 1 . 2]"
1 71 GLU 0.570 0.053 4 0 "[ . 1 . 2]"
1 72 ILE 0.139 0.052 14 0 "[ . 1 . 2]"
1 73 LYS 0.108 0.033 13 0 "[ . 1 . 2]"
1 74 LYS 0.052 0.052 14 0 "[ . 1 . 2]"
1 75 LYS 0.028 0.021 17 0 "[ . 1 . 2]"
1 76 GLY 0.021 0.021 17 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.017 0.006 14 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 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 2 ASP HA 1 3 THR H 3.090 . 4.090 3.357 3.279 3.459 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASP HB3 1 3 THR H 4.550 . 5.550 4.100 3.923 4.360 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP HB2 1 3 THR H 4.420 . 6.500 3.478 3.168 4.128 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR H 1 3 THR HA 2.980 . 3.480 2.942 2.938 2.945 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR H 1 3 THR MG 2.800 . 3.300 2.951 2.905 3.003 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR H 1 4 ILE H 4.530 2.500 5.530 4.514 4.496 4.528 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR H 1 64 PRO HB2 3.300 . 3.800 3.769 3.639 3.813 0.013 16 0 "[ . 1 . 2]" 1
8 1 3 THR H 1 65 GLY H 3.820 . 5.320 4.961 4.662 5.283 . 0 0 "[ . 1 . 2]" 1
9 1 3 THR HA 1 4 ILE H 2.310 . 2.810 2.273 2.234 2.304 . 0 0 "[ . 1 . 2]" 1
10 1 4 ILE H 1 4 ILE HA 2.970 . 3.470 2.945 2.938 2.951 . 0 0 "[ . 1 . 2]" 1
11 1 4 ILE H 1 4 ILE HG12 2.990 . 3.490 2.761 2.589 2.895 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE H 1 6 ILE MD 4.340 . 6.500 4.463 4.263 4.946 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE H 1 18 VAL QG 3.650 2.500 4.650 3.768 3.206 4.157 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE HA 1 5 ASN H 2.400 . 2.900 2.355 2.304 2.388 . 0 0 "[ . 1 . 2]" 1
15 1 4 ILE HB 1 5 ASN H 2.360 . 2.860 2.510 2.390 2.620 . 0 0 "[ . 1 . 2]" 1
16 1 5 ASN H 1 5 ASN HA 2.960 . 3.460 2.930 2.905 2.944 . 0 0 "[ . 1 . 2]" 1
17 1 5 ASN H 1 5 ASN HB3 2.810 . 3.310 2.764 2.288 3.500 0.190 17 0 "[ . 1 . 2]" 1
18 1 5 ASN H 1 5 ASN HB2 3.640 . 4.640 3.084 2.215 3.635 . 0 0 "[ . 1 . 2]" 1
19 1 5 ASN H 1 6 ILE H 4.340 2.500 5.340 4.441 4.369 4.519 . 0 0 "[ . 1 . 2]" 1
20 1 5 ASN H 1 65 GLY H 4.990 . 6.490 4.315 4.132 4.509 . 0 0 "[ . 1 . 2]" 1
21 1 5 ASN H 1 68 ILE H 3.970 . 4.970 4.103 3.705 4.406 . 0 0 "[ . 1 . 2]" 1
22 1 5 ASN HA 1 5 ASN HD22 4.270 2.500 5.270 4.864 4.510 5.080 . 0 0 "[ . 1 . 2]" 1
23 1 5 ASN HB3 1 5 ASN HD21 3.450 . 4.450 2.367 2.123 2.837 . 0 0 "[ . 1 . 2]" 1
24 1 5 ASN HB3 1 5 ASN HD22 2.150 . 3.550 3.516 3.417 3.701 0.151 17 0 "[ . 1 . 2]" 1
25 1 5 ASN HB2 1 5 ASN HD22 3.400 . 3.900 3.790 3.436 3.983 0.083 19 0 "[ . 1 . 2]" 1
26 1 5 ASN H 1 5 ASN HD21 4.190 2.500 5.190 3.598 3.249 4.124 . 0 0 "[ . 1 . 2]" 1
27 1 5 ASN H 1 5 ASN HD22 3.250 . 4.750 4.766 4.662 4.798 0.048 20 0 "[ . 1 . 2]" 1
28 1 5 ASN HD21 1 65 GLY QA 5.170 2.500 6.170 5.660 5.139 6.073 . 0 0 "[ . 1 . 2]" 1
29 1 5 ASN HD22 1 67 THR HA 3.800 . 5.300 3.351 2.324 5.039 . 0 0 "[ . 1 . 2]" 1
30 1 5 ASN HA 1 6 ILE H 2.090 . 2.590 2.193 2.130 2.291 . 0 0 "[ . 1 . 2]" 1
31 1 5 ASN HB3 1 6 ILE H 4.370 . 5.370 3.834 2.709 4.474 . 0 0 "[ . 1 . 2]" 1
32 1 5 ASN HB2 1 6 ILE H 3.210 . 3.910 3.769 3.531 3.986 0.076 7 0 "[ . 1 . 2]" 1
33 1 6 ILE H 1 6 ILE HA 2.960 . 3.660 2.943 2.934 2.949 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE H 1 6 ILE HB 2.450 . 3.150 2.853 2.674 3.024 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE H 1 6 ILE MG 4.300 . 6.500 3.917 3.869 3.957 . 0 0 "[ . 1 . 2]" 1
36 1 6 ILE H 1 13 THR HA 4.980 . 6.500 4.065 3.736 4.383 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE H 1 13 THR HB 4.140 2.500 5.340 3.619 3.163 4.009 . 0 0 "[ . 1 . 2]" 1
38 1 6 ILE H 1 14 LEU HA 4.860 2.500 6.060 4.647 4.513 4.890 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE H 1 14 LEU HB3 5.560 . 6.500 3.948 3.260 5.036 . 0 0 "[ . 1 . 2]" 1
40 1 5 ASN HB3 1 7 THR H 5.500 2.500 6.500 5.790 4.745 6.432 . 0 0 "[ . 1 . 2]" 1
41 1 5 ASN HB2 1 7 THR H 5.140 2.500 6.140 6.049 5.694 6.180 0.040 16 0 "[ . 1 . 2]" 1
42 1 6 ILE HA 1 7 THR H 2.120 . 2.620 2.145 2.118 2.176 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE HB 1 7 THR H 4.390 . 5.390 4.211 4.088 4.345 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE MG 1 7 THR H 3.220 . 4.220 2.915 2.739 3.113 . 0 0 "[ . 1 . 2]" 1
45 1 6 ILE H 1 7 THR H 4.390 2.500 5.390 4.170 4.083 4.234 . 0 0 "[ . 1 . 2]" 1
46 1 7 THR H 1 7 THR HB 2.490 . 2.990 2.892 2.838 2.952 . 0 0 "[ . 1 . 2]" 1
47 1 7 THR H 1 68 ILE HB 5.220 . 6.500 3.958 3.313 4.373 . 0 0 "[ . 1 . 2]" 1
48 1 7 THR H 1 69 THR MG 5.030 . 6.500 4.060 3.607 5.214 . 0 0 "[ . 1 . 2]" 1
49 1 7 THR H 1 70 LEU H 3.490 . 3.990 3.967 3.507 4.031 0.041 16 0 "[ . 1 . 2]" 1
50 1 7 THR HA 1 8 LEU H 2.090 . 2.590 2.139 2.113 2.156 . 0 0 "[ . 1 . 2]" 1
51 1 7 THR HB 1 8 LEU H 4.200 . 4.700 3.940 3.753 4.137 . 0 0 "[ . 1 . 2]" 1
52 1 7 THR MG 1 8 LEU H 2.930 . 3.430 2.781 2.509 3.086 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU H 1 8 LEU HB3 2.400 . 2.900 3.058 2.982 3.114 0.214 2 0 "[ . 1 . 2]" 1
54 1 8 LEU H 1 8 LEU QD 3.630 . 4.130 3.021 1.839 3.389 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU H 1 9 PRO QD 4.960 . 6.460 4.418 4.407 4.427 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU H 1 11 GLY H 4.390 2.500 5.890 3.875 3.752 3.971 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU H 1 12 LYS H 4.130 . 4.930 3.749 3.544 4.395 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU H 1 13 THR HA 2.860 . 3.860 3.526 3.194 3.809 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU H 1 13 THR H 4.850 2.500 5.850 5.275 4.975 5.597 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU HB2 1 10 ASP H 2.860 . 3.560 3.479 2.713 3.677 0.117 19 0 "[ . 1 . 2]" 1
61 1 8 LEU H 1 10 ASP H 4.900 2.500 5.900 4.344 4.242 4.607 . 0 0 "[ . 1 . 2]" 1
62 1 9 PRO QD 1 10 ASP H 3.040 . 4.040 2.813 2.690 3.168 . 0 0 "[ . 1 . 2]" 1
63 1 9 PRO QG 1 10 ASP H 4.340 . 6.500 3.804 2.863 4.154 . 0 0 "[ . 1 . 2]" 1
64 1 10 ASP H 1 10 ASP HB3 3.690 . 4.690 3.397 2.776 3.603 . 0 0 "[ . 1 . 2]" 1
65 1 10 ASP H 1 10 ASP HB2 2.550 . 3.350 2.361 2.318 2.435 . 0 0 "[ . 1 . 2]" 1
66 1 10 ASP H 1 11 GLY H 2.540 . 3.340 2.305 2.231 2.566 . 0 0 "[ . 1 . 2]" 1
67 1 7 THR MG 1 11 GLY H 4.750 . 6.500 4.035 3.710 4.464 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU HB3 1 11 GLY H 3.590 . 5.090 3.597 3.114 5.229 0.139 14 0 "[ . 1 . 2]" 1
69 1 10 ASP HB3 1 11 GLY H 4.470 . 5.470 3.757 3.080 4.017 . 0 0 "[ . 1 . 2]" 1
70 1 10 ASP HB2 1 11 GLY H 4.280 . 5.480 3.375 3.034 3.940 . 0 0 "[ . 1 . 2]" 1
71 1 11 GLY H 1 11 GLY HA3 2.380 . 3.380 2.940 2.936 2.953 . 0 0 "[ . 1 . 2]" 1
72 1 11 GLY H 1 11 GLY HA2 2.970 . 3.970 2.391 2.385 2.410 . 0 0 "[ . 1 . 2]" 1
73 1 11 GLY H 1 12 LYS H 2.530 . 3.230 2.342 2.285 2.652 . 0 0 "[ . 1 . 2]" 1
74 1 8 LEU MD1 1 12 LYS H 4.160 . 5.160 4.667 3.313 5.164 0.004 12 0 "[ . 1 . 2]" 1
75 1 10 ASP HB2 1 12 LYS H 4.590 2.500 5.590 3.352 2.922 4.311 . 0 0 "[ . 1 . 2]" 1
76 1 11 GLY HA2 1 12 LYS H 3.250 . 3.950 3.271 3.232 3.455 . 0 0 "[ . 1 . 2]" 1
77 1 12 LYS H 1 12 LYS HA 2.960 . 3.960 2.935 2.898 2.944 . 0 0 "[ . 1 . 2]" 1
78 1 12 LYS H 1 12 LYS HB3 2.470 . 3.170 3.085 2.939 3.159 . 0 0 "[ . 1 . 2]" 1
79 1 12 LYS H 1 12 LYS HB2 3.680 . 6.180 3.678 3.593 3.715 . 0 0 "[ . 1 . 2]" 1
80 1 12 LYS H 1 12 LYS QE 5.050 . 6.500 4.101 3.904 4.491 . 0 0 "[ . 1 . 2]" 1
81 1 12 LYS H 1 12 LYS HG3 3.790 . 6.290 2.899 2.807 3.075 . 0 0 "[ . 1 . 2]" 1
82 1 12 LYS HA 1 13 THR H 2.390 . 3.090 2.280 2.190 2.528 . 0 0 "[ . 1 . 2]" 1
83 1 12 LYS HB3 1 13 THR H 3.640 . 6.140 3.804 3.485 3.924 . 0 0 "[ . 1 . 2]" 1
84 1 12 LYS HB2 1 13 THR H 2.400 . 3.100 2.731 2.171 2.956 . 0 0 "[ . 1 . 2]" 1
85 1 12 LYS H 1 13 THR H 4.610 . 6.500 4.523 4.481 4.572 . 0 0 "[ . 1 . 2]" 1
86 1 13 THR H 1 13 THR HA 2.970 . 3.670 2.940 2.933 2.945 . 0 0 "[ . 1 . 2]" 1
87 1 13 THR H 1 13 THR HB 3.850 . 6.350 3.676 3.641 3.762 . 0 0 "[ . 1 . 2]" 1
88 1 13 THR H 1 13 THR MG 2.930 . 3.630 2.930 2.787 3.140 . 0 0 "[ . 1 . 2]" 1
89 1 13 THR H 1 14 LEU H 4.500 2.500 5.500 4.511 4.437 4.545 . 0 0 "[ . 1 . 2]" 1
90 1 5 ASN HA 1 14 LEU H 4.380 . 4.880 4.017 3.859 4.202 . 0 0 "[ . 1 . 2]" 1
91 1 5 ASN HB3 1 14 LEU H 6.080 2.500 6.500 5.554 4.375 6.406 . 0 0 "[ . 1 . 2]" 1
92 1 5 ASN HB2 1 14 LEU H 4.420 . 5.920 5.238 4.569 5.938 0.018 14 0 "[ . 1 . 2]" 1
93 1 6 ILE HB 1 14 LEU H 3.270 . 3.770 3.182 2.455 3.791 0.021 4 0 "[ . 1 . 2]" 1
94 1 7 THR HA 1 14 LEU H 3.920 . 4.420 4.114 3.735 4.437 0.017 7 0 "[ . 1 . 2]" 1
95 1 13 THR HA 1 14 LEU H 2.310 . 2.810 2.280 2.217 2.323 . 0 0 "[ . 1 . 2]" 1
96 1 13 THR HB 1 14 LEU H 2.510 . 3.510 2.672 2.545 2.866 . 0 0 "[ . 1 . 2]" 1
97 1 13 THR MG 1 14 LEU H 4.060 . 6.500 3.514 3.406 3.602 . 0 0 "[ . 1 . 2]" 1
98 1 14 LEU H 1 14 LEU HA 2.960 . 3.460 2.941 2.929 2.950 . 0 0 "[ . 1 . 2]" 1
99 1 14 LEU H 1 14 LEU HB3 3.280 . 4.280 3.153 2.864 3.783 . 0 0 "[ . 1 . 2]" 1
100 1 14 LEU H 1 14 LEU HB2 2.850 . 3.350 2.743 2.387 2.966 . 0 0 "[ . 1 . 2]" 1
101 1 14 LEU H 1 15 THR H 4.270 2.500 5.270 4.437 4.392 4.495 . 0 0 "[ . 1 . 2]" 1
102 1 5 ASN HA 1 15 THR H 4.830 2.500 5.830 5.172 4.894 5.375 . 0 0 "[ . 1 . 2]" 1
103 1 6 ILE HB 1 15 THR H 5.600 2.500 6.500 5.755 5.375 6.462 . 0 0 "[ . 1 . 2]" 1
104 1 14 LEU HA 1 15 THR H 2.170 . 2.670 2.284 2.270 2.297 . 0 0 "[ . 1 . 2]" 1
105 1 14 LEU HB3 1 15 THR H 4.070 . 5.070 3.345 2.768 3.648 . 0 0 "[ . 1 . 2]" 1
106 1 14 LEU HB2 1 15 THR H 4.290 . 6.500 4.145 3.946 4.196 . 0 0 "[ . 1 . 2]" 1
107 1 15 THR H 1 15 THR HA 2.950 . 3.650 2.945 2.939 2.948 . 0 0 "[ . 1 . 2]" 1
108 1 15 THR H 1 15 THR HB 2.530 . 3.230 3.016 2.881 3.256 0.026 7 0 "[ . 1 . 2]" 1
109 1 15 THR H 1 15 THR MG 4.410 . 6.500 3.844 3.663 3.921 . 0 0 "[ . 1 . 2]" 1
110 1 15 THR H 1 16 LEU H 4.480 . 6.500 4.352 4.305 4.410 . 0 0 "[ . 1 . 2]" 1
111 1 3 THR HB 1 16 LEU H 3.420 . 4.120 4.012 3.495 4.123 0.003 2 0 "[ . 1 . 2]" 1
112 1 4 ILE HG12 1 16 LEU H 3.460 . 4.160 4.145 3.918 4.206 0.046 10 0 "[ . 1 . 2]" 1
113 1 5 ASN HA 1 16 LEU H 3.770 . 4.470 4.166 3.973 4.326 . 0 0 "[ . 1 . 2]" 1
114 1 5 ASN HB2 1 16 LEU H 5.910 2.500 6.500 6.315 6.104 6.561 0.061 14 0 "[ . 1 . 2]" 1
115 1 6 ILE HB 1 16 LEU H 4.870 . 6.500 6.005 5.664 6.505 0.005 1 0 "[ . 1 . 2]" 1
116 1 6 ILE HG12 1 16 LEU H 5.290 . 6.500 5.273 3.677 5.752 . 0 0 "[ . 1 . 2]" 1
117 1 6 ILE MD 1 16 LEU H 2.920 . 3.920 2.990 2.722 3.940 0.020 7 0 "[ . 1 . 2]" 1
118 1 6 ILE H 1 16 LEU H 3.940 . 5.440 5.137 4.916 5.415 . 0 0 "[ . 1 . 2]" 1
119 1 15 THR HA 1 16 LEU H 2.170 . 2.870 2.147 2.132 2.168 . 0 0 "[ . 1 . 2]" 1
120 1 16 LEU H 1 16 LEU HA 2.970 . 3.670 2.943 2.931 2.954 . 0 0 "[ . 1 . 2]" 1
121 1 3 THR HA 1 17 THR H 4.420 2.500 5.420 4.918 4.720 5.187 . 0 0 "[ . 1 . 2]" 1
122 1 16 LEU HA 1 17 THR H 2.260 . 2.760 2.323 2.233 2.437 . 0 0 "[ . 1 . 2]" 1
123 1 16 LEU HB3 1 17 THR H 3.870 . 6.370 3.572 3.343 3.860 . 0 0 "[ . 1 . 2]" 1
124 1 16 LEU MD1 1 17 THR H 5.160 . 6.500 3.146 2.990 4.011 . 0 0 "[ . 1 . 2]" 1
125 1 17 THR H 1 17 THR HB 2.550 . 3.050 2.895 2.861 2.959 . 0 0 "[ . 1 . 2]" 1
126 1 17 THR H 1 17 THR MG 4.470 . 6.500 3.630 1.839 3.881 . 0 0 "[ . 1 . 2]" 1
127 1 17 THR H 1 18 VAL QG 4.050 . 5.550 4.087 3.638 4.486 . 0 0 "[ . 1 . 2]" 1
128 1 3 THR HA 1 18 VAL H 2.120 . 4.620 3.575 3.120 3.767 . 0 0 "[ . 1 . 2]" 1
129 1 17 THR HA 1 18 VAL H 2.140 . 2.840 2.187 2.149 2.267 . 0 0 "[ . 1 . 2]" 1
130 1 17 THR MG 1 18 VAL H 3.390 . 3.890 2.853 2.333 3.916 0.026 19 0 "[ . 1 . 2]" 1
131 1 18 VAL H 1 18 VAL HA 2.950 . 3.450 2.943 2.916 2.954 . 0 0 "[ . 1 . 2]" 1
132 1 18 VAL H 1 18 VAL HB 2.860 . 4.860 3.744 3.652 3.831 . 0 0 "[ . 1 . 2]" 1
133 1 18 VAL H 1 18 VAL QG 3.160 . 3.660 2.048 1.935 2.287 . 0 0 "[ . 1 . 2]" 1
134 1 18 VAL H 1 19 THR H 4.290 2.500 5.790 4.449 4.392 4.504 . 0 0 "[ . 1 . 2]" 1
135 1 18 VAL HA 1 19 THR H 2.140 . 2.840 2.393 2.226 2.596 . 0 0 "[ . 1 . 2]" 1
136 1 18 VAL HB 1 19 THR H 4.190 . 6.500 2.418 1.943 2.823 . 0 0 "[ . 1 . 2]" 1
137 1 18 VAL QG 1 19 THR H 2.880 . 3.580 3.092 2.923 3.227 . 0 0 "[ . 1 . 2]" 1
138 1 19 THR H 1 19 THR HA 2.980 . 3.480 2.934 2.926 2.944 . 0 0 "[ . 1 . 2]" 1
139 1 19 THR H 1 19 THR HB 3.850 . 4.850 3.813 3.786 3.826 . 0 0 "[ . 1 . 2]" 1
140 1 19 THR H 1 19 THR MG 2.870 . 3.370 3.259 3.202 3.349 . 0 0 "[ . 1 . 2]" 1
141 1 19 THR H 1 21 GLU H 4.630 2.500 5.830 4.464 4.303 4.662 . 0 0 "[ . 1 . 2]" 1
142 1 19 THR H 1 22 PHE HB3 3.080 . 3.780 3.825 3.790 3.878 0.098 2 0 "[ . 1 . 2]" 1
143 1 19 THR H 1 22 PHE HB2 4.330 . 5.530 2.589 2.433 2.797 . 0 0 "[ . 1 . 2]" 1
144 1 19 THR H 1 22 PHE QD 2.600 . 5.100 3.541 1.835 4.400 . 0 0 "[ . 1 . 2]" 1
145 1 19 THR H 1 22 PHE H 3.660 . 4.160 3.720 3.489 3.936 . 0 0 "[ . 1 . 2]" 1
146 1 19 THR H 1 57 LEU MD1 3.940 2.500 4.940 4.120 3.328 4.806 . 0 0 "[ . 1 . 2]" 1
147 1 19 THR HB 1 21 GLU H 2.780 . 3.280 2.423 2.345 2.547 . 0 0 "[ . 1 . 2]" 1
148 1 21 GLU H 1 21 GLU HA 2.870 . 3.370 2.910 2.886 2.927 . 0 0 "[ . 1 . 2]" 1
149 1 21 GLU H 1 21 GLU HB3 2.370 . 2.870 2.878 2.857 2.949 0.079 17 0 "[ . 1 . 2]" 1
150 1 21 GLU H 1 22 PHE HB3 4.740 . 5.740 5.498 5.352 5.694 . 0 0 "[ . 1 . 2]" 1
151 1 21 GLU H 1 22 PHE HB2 6.110 . 6.500 4.015 3.914 4.150 . 0 0 "[ . 1 . 2]" 1
152 1 21 GLU H 1 22 PHE QD 4.490 . 5.990 4.176 3.701 4.525 . 0 0 "[ . 1 . 2]" 1
153 1 21 GLU H 1 22 PHE H 2.510 . 3.010 2.307 2.193 2.447 . 0 0 "[ . 1 . 2]" 1
154 1 18 VAL QG 1 22 PHE H 4.960 2.500 5.960 5.358 4.875 5.822 . 0 0 "[ . 1 . 2]" 1
155 1 22 PHE H 1 22 PHE HA 2.890 . 3.390 2.877 2.844 2.899 . 0 0 "[ . 1 . 2]" 1
156 1 22 PHE H 1 22 PHE HB3 2.460 . 3.160 3.290 3.240 3.356 0.196 15 0 "[ . 1 . 2]" 1
157 1 22 PHE H 1 22 PHE HB2 3.630 . 6.130 2.105 2.058 2.160 . 0 0 "[ . 1 . 2]" 1
158 1 22 PHE H 1 22 PHE QD 2.720 . 3.720 3.125 2.683 3.406 . 0 0 "[ . 1 . 2]" 1
159 1 22 PHE H 1 23 THR H 4.620 . 5.620 4.558 4.541 4.578 . 0 0 "[ . 1 . 2]" 1
160 1 22 PHE HA 1 23 THR H 2.310 . 3.010 2.219 2.181 2.383 . 0 0 "[ . 1 . 2]" 1
161 1 22 PHE HB3 1 23 THR H 3.690 . 4.390 3.225 2.717 3.362 . 0 0 "[ . 1 . 2]" 1
162 1 22 PHE HB2 1 23 THR H 2.470 . 5.170 4.299 4.026 4.359 . 0 0 "[ . 1 . 2]" 1
163 1 22 PHE QD 1 23 THR H 4.200 2.500 5.600 3.621 2.585 3.936 . 0 0 "[ . 1 . 2]" 1
164 1 23 THR H 1 23 THR HA 2.960 . 3.460 2.917 2.898 2.930 . 0 0 "[ . 1 . 2]" 1
165 1 23 THR H 1 23 THR MG 2.350 . 2.850 2.773 2.656 2.855 0.005 18 0 "[ . 1 . 2]" 1
166 1 23 THR H 1 24 VAL H 4.610 2.500 5.610 4.561 4.536 4.597 . 0 0 "[ . 1 . 2]" 1
167 1 23 THR H 1 26 GLU HA 5.030 2.500 6.030 5.086 5.006 5.372 . 0 0 "[ . 1 . 2]" 1
168 1 23 THR H 1 26 GLU HB3 2.900 . 3.400 2.735 2.563 3.351 . 0 0 "[ . 1 . 2]" 1
169 1 23 THR H 1 26 GLU QG 4.160 . 4.660 4.111 3.949 4.251 . 0 0 "[ . 1 . 2]" 1
170 1 23 THR H 1 57 LEU MD1 4.660 2.500 5.660 4.066 3.868 4.237 . 0 0 "[ . 1 . 2]" 1
171 1 23 THR HA 1 24 VAL H 2.420 . 3.120 2.498 2.450 2.524 . 0 0 "[ . 1 . 2]" 1
172 1 23 THR HB 1 24 VAL H 2.420 . 3.120 2.271 2.218 2.341 . 0 0 "[ . 1 . 2]" 1
173 1 23 THR MG 1 24 VAL H 4.240 . 6.500 3.428 3.376 3.490 . 0 0 "[ . 1 . 2]" 1
174 1 24 VAL H 1 24 VAL HA 2.860 . 3.560 2.837 2.826 2.849 . 0 0 "[ . 1 . 2]" 1
175 1 24 VAL H 1 24 VAL HB 2.450 . 3.150 2.648 2.605 2.674 . 0 0 "[ . 1 . 2]" 1
176 1 24 VAL H 1 24 VAL MG1 4.400 . 6.500 3.782 3.778 3.789 . 0 0 "[ . 1 . 2]" 1
177 1 24 VAL H 1 24 VAL MG2 2.310 . 3.310 1.942 1.908 1.978 . 0 0 "[ . 1 . 2]" 1
178 1 24 VAL H 1 25 LYS HB3 5.020 . 6.500 5.151 5.078 5.225 . 0 0 "[ . 1 . 2]" 1
179 1 24 VAL H 1 25 LYS H 2.670 . 3.370 2.539 2.499 2.580 . 0 0 "[ . 1 . 2]" 1
180 1 24 VAL H 1 26 GLU H 4.060 . 5.060 4.059 3.990 4.174 . 0 0 "[ . 1 . 2]" 1
181 1 24 VAL H 1 53 PRO HA 4.060 . 5.060 4.297 4.063 4.483 . 0 0 "[ . 1 . 2]" 1
182 1 24 VAL H 1 56 THR H 4.830 2.500 5.830 5.233 5.069 5.345 . 0 0 "[ . 1 . 2]" 1
183 1 24 VAL H 1 57 LEU H 3.910 2.500 4.910 3.937 3.729 4.198 . 0 0 "[ . 1 . 2]" 1
184 1 24 VAL H 1 60 TYR QE 5.620 2.500 6.500 6.515 6.492 6.535 0.035 17 0 "[ . 1 . 2]" 1
185 1 23 THR HA 1 25 LYS H 4.500 . 5.500 4.284 4.219 4.315 . 0 0 "[ . 1 . 2]" 1
186 1 23 THR HB 1 25 LYS H 3.070 . 3.770 2.510 2.461 2.547 . 0 0 "[ . 1 . 2]" 1
187 1 24 VAL HA 1 25 LYS H 3.550 . 4.550 3.492 3.478 3.503 . 0 0 "[ . 1 . 2]" 1
188 1 24 VAL HB 1 25 LYS H 2.570 . 3.570 2.816 2.781 2.875 . 0 0 "[ . 1 . 2]" 1
189 1 25 LYS H 1 25 LYS HA 2.840 . 3.540 2.848 2.836 2.852 . 0 0 "[ . 1 . 2]" 1
190 1 25 LYS H 1 25 LYS HB3 2.480 . 3.180 2.827 2.772 2.873 . 0 0 "[ . 1 . 2]" 1
191 1 25 LYS H 1 25 LYS HB2 2.520 . 3.220 2.248 2.223 2.278 . 0 0 "[ . 1 . 2]" 1
192 1 25 LYS H 1 26 GLU H 2.720 . 3.520 2.524 2.499 2.565 . 0 0 "[ . 1 . 2]" 1
193 1 25 LYS H 1 27 LEU H 4.400 2.500 5.400 4.248 4.164 4.348 . 0 0 "[ . 1 . 2]" 1
194 1 25 LYS H 1 53 PRO HA 2.590 . 3.590 3.240 3.025 3.442 . 0 0 "[ . 1 . 2]" 1
195 1 23 THR HA 1 26 GLU H 4.560 . 5.560 4.534 4.478 4.622 . 0 0 "[ . 1 . 2]" 1
196 1 23 THR HB 1 26 GLU H 3.440 . 4.440 3.305 3.253 3.384 . 0 0 "[ . 1 . 2]" 1
197 1 23 THR H 1 26 GLU H 3.830 . 4.830 3.574 3.505 3.765 . 0 0 "[ . 1 . 2]" 1
198 1 24 VAL HA 1 26 GLU H 4.460 2.500 5.460 4.291 4.165 4.419 . 0 0 "[ . 1 . 2]" 1
199 1 24 VAL HB 1 26 GLU H 5.040 2.500 6.040 5.095 5.012 5.214 . 0 0 "[ . 1 . 2]" 1
200 1 26 GLU H 1 26 GLU HA 2.820 . 3.520 2.850 2.842 2.857 . 0 0 "[ . 1 . 2]" 1
201 1 26 GLU H 1 26 GLU HB3 2.490 . 3.190 2.974 2.921 3.197 0.007 2 0 "[ . 1 . 2]" 1
202 1 26 GLU H 1 26 GLU HB2 2.530 . 3.330 2.180 2.078 2.215 . 0 0 "[ . 1 . 2]" 1
203 1 26 GLU H 1 26 GLU HG2 4.400 . 6.500 4.616 4.544 4.644 . 0 0 "[ . 1 . 2]" 1
204 1 26 GLU H 1 27 LEU HA 5.470 . 6.500 5.231 5.204 5.252 . 0 0 "[ . 1 . 2]" 1
205 1 26 GLU H 1 27 LEU H 2.860 . 3.360 2.636 2.599 2.669 . 0 0 "[ . 1 . 2]" 1
206 1 26 GLU H 1 28 ALA H 4.160 . 5.160 3.886 3.805 4.010 . 0 0 "[ . 1 . 2]" 1
207 1 18 VAL QG 1 27 LEU H 5.450 2.500 6.450 5.292 4.213 6.119 . 0 0 "[ . 1 . 2]" 1
208 1 22 PHE HA 1 27 LEU H 5.910 . 6.500 5.261 5.058 6.015 . 0 0 "[ . 1 . 2]" 1
209 1 22 PHE HB2 1 27 LEU H 3.930 . 5.430 5.522 5.500 5.551 0.121 13 0 "[ . 1 . 2]" 1
210 1 22 PHE QD 1 27 LEU H 5.310 . 6.500 2.911 2.431 4.462 . 0 0 "[ . 1 . 2]" 1
211 1 23 THR HA 1 27 LEU H 5.170 2.500 6.170 5.051 4.951 5.290 . 0 0 "[ . 1 . 2]" 1
212 1 24 VAL HA 1 27 LEU H 3.590 . 4.590 3.616 3.517 3.701 . 0 0 "[ . 1 . 2]" 1
213 1 24 VAL HB 1 27 LEU H 5.770 . 6.500 5.836 5.785 5.911 . 0 0 "[ . 1 . 2]" 1
214 1 26 GLU HA 1 27 LEU H 3.580 . 4.580 3.572 3.563 3.578 . 0 0 "[ . 1 . 2]" 1
215 1 27 LEU H 1 27 LEU HA 2.820 . 3.320 2.792 2.780 2.800 . 0 0 "[ . 1 . 2]" 1
216 1 27 LEU H 1 27 LEU HB3 2.120 . 2.620 2.672 2.652 2.690 0.070 1 0 "[ . 1 . 2]" 1
217 1 27 LEU H 1 27 LEU HB2 2.830 . 3.830 2.306 2.267 2.337 . 0 0 "[ . 1 . 2]" 1
218 1 27 LEU H 1 28 ALA H 2.820 . 3.320 2.700 2.648 2.748 . 0 0 "[ . 1 . 2]" 1
219 1 27 LEU H 1 29 GLU H 4.220 . 5.220 4.236 4.004 4.308 . 0 0 "[ . 1 . 2]" 1
220 1 24 VAL HA 1 28 ALA H 4.190 . 5.190 4.085 3.928 4.201 . 0 0 "[ . 1 . 2]" 1
221 1 27 LEU HA 1 28 ALA H 3.560 . 4.560 3.518 3.496 3.546 . 0 0 "[ . 1 . 2]" 1
222 1 27 LEU HB3 1 28 ALA H 3.560 . 6.060 2.739 2.615 2.843 . 0 0 "[ . 1 . 2]" 1
223 1 28 ALA H 1 28 ALA HA 2.830 . 3.830 2.847 2.845 2.852 . 0 0 "[ . 1 . 2]" 1
224 1 28 ALA H 1 28 ALA MB 2.530 . 3.530 2.247 2.235 2.256 . 0 0 "[ . 1 . 2]" 1
225 1 28 ALA H 1 29 GLU QG 4.770 2.500 5.770 4.452 4.273 5.229 . 0 0 "[ . 1 . 2]" 1
226 1 28 ALA H 1 29 GLU H 2.810 . 3.510 2.597 2.517 2.621 . 0 0 "[ . 1 . 2]" 1
227 1 28 ALA H 1 44 LEU QD 3.350 . 4.050 4.027 3.834 4.074 0.024 11 0 "[ . 1 . 2]" 1
228 1 27 LEU HA 1 29 GLU H 4.440 2.500 5.440 4.389 4.142 4.464 . 0 0 "[ . 1 . 2]" 1
229 1 28 ALA HA 1 29 GLU H 3.570 . 6.070 3.539 3.487 3.551 . 0 0 "[ . 1 . 2]" 1
230 1 28 ALA MB 1 29 GLU H 2.670 . 3.370 2.701 2.659 2.830 . 0 0 "[ . 1 . 2]" 1
231 1 29 GLU H 1 29 GLU HB3 2.350 . 3.050 2.484 2.370 3.219 0.169 17 0 "[ . 1 . 2]" 1
232 1 29 GLU H 1 29 GLU HB2 3.600 . 6.100 3.435 1.948 3.622 . 0 0 "[ . 1 . 2]" 1
233 1 29 GLU H 1 29 GLU QG 2.410 . 3.110 2.547 2.406 3.210 0.100 17 0 "[ . 1 . 2]" 1
234 1 29 GLU H 1 30 GLU H 2.680 . 3.380 2.538 2.487 2.577 . 0 0 "[ . 1 . 2]" 1
235 1 29 GLU H 1 31 ILE MG 4.450 . 5.450 4.408 4.317 4.477 . 0 0 "[ . 1 . 2]" 1
236 1 27 LEU HA 1 30 GLU H 3.580 . 4.580 3.615 3.488 3.692 . 0 0 "[ . 1 . 2]" 1
237 1 28 ALA H 1 30 GLU H 4.320 2.500 5.820 4.014 3.967 4.059 . 0 0 "[ . 1 . 2]" 1
238 1 29 GLU HA 1 30 GLU H 3.550 . 4.550 3.466 3.457 3.475 . 0 0 "[ . 1 . 2]" 1
239 1 30 GLU H 1 30 GLU HA 2.840 . 3.640 2.853 2.832 2.871 . 0 0 "[ . 1 . 2]" 1
240 1 30 GLU H 1 30 GLU HB3 2.560 . 3.360 3.288 3.170 3.389 0.029 2 0 "[ . 1 . 2]" 1
241 1 30 GLU H 1 30 GLU QG 4.370 . 5.370 3.527 3.157 3.935 . 0 0 "[ . 1 . 2]" 1
242 1 30 GLU H 1 31 ILE HA 5.470 . 6.500 5.237 5.179 5.301 . 0 0 "[ . 1 . 2]" 1
243 1 30 GLU H 1 31 ILE MG 4.100 . 4.900 3.824 3.765 3.865 . 0 0 "[ . 1 . 2]" 1
244 1 30 GLU H 1 32 ALA H 3.960 . 4.960 3.847 3.818 3.896 . 0 0 "[ . 1 . 2]" 1
245 1 27 LEU HA 1 31 ILE H 4.140 . 5.140 4.533 4.410 4.679 . 0 0 "[ . 1 . 2]" 1
246 1 28 ALA HA 1 31 ILE H 3.850 . 4.850 3.654 3.512 3.716 . 0 0 "[ . 1 . 2]" 1
247 1 28 ALA H 1 31 ILE H 5.070 2.500 6.070 5.110 5.000 5.196 . 0 0 "[ . 1 . 2]" 1
248 1 30 GLU HA 1 31 ILE H 3.590 . 4.590 3.559 3.548 3.569 . 0 0 "[ . 1 . 2]" 1
249 1 30 GLU HB3 1 31 ILE H 3.690 . 4.690 2.767 2.510 3.015 . 0 0 "[ . 1 . 2]" 1
250 1 30 GLU HB2 1 31 ILE H 2.190 . 2.990 2.965 2.847 3.053 0.063 7 0 "[ . 1 . 2]" 1
251 1 30 GLU QG 1 31 ILE H 3.190 . 5.690 4.332 4.241 4.460 . 0 0 "[ . 1 . 2]" 1
252 1 30 GLU H 1 31 ILE H 2.890 . 3.590 2.622 2.543 2.709 . 0 0 "[ . 1 . 2]" 1
253 1 31 ILE H 1 31 ILE HA 2.830 . 3.630 2.839 2.824 2.847 . 0 0 "[ . 1 . 2]" 1
254 1 31 ILE H 1 31 ILE HB 2.520 . 3.320 2.525 2.478 2.567 . 0 0 "[ . 1 . 2]" 1
255 1 31 ILE H 1 31 ILE MG 2.210 . 2.910 2.134 2.063 2.182 . 0 0 "[ . 1 . 2]" 1
256 1 31 ILE H 1 32 ALA MB 4.910 . 6.500 4.278 4.236 4.314 . 0 0 "[ . 1 . 2]" 1
257 1 31 ILE H 1 32 ALA H 2.730 . 3.430 2.590 2.549 2.626 . 0 0 "[ . 1 . 2]" 1
258 1 29 GLU HA 1 32 ALA H 3.610 . 4.610 3.511 3.379 3.646 . 0 0 "[ . 1 . 2]" 1
259 1 31 ILE HA 1 32 ALA H 3.530 . 4.530 3.510 3.497 3.527 . 0 0 "[ . 1 . 2]" 1
260 1 31 ILE HB 1 32 ALA H 3.970 . 6.470 3.985 3.951 4.021 . 0 0 "[ . 1 . 2]" 1
261 1 32 ALA H 1 32 ALA HA 2.840 . 3.640 2.837 2.833 2.841 . 0 0 "[ . 1 . 2]" 1
262 1 32 ALA H 1 32 ALA MB 2.500 . 3.200 2.240 2.232 2.249 . 0 0 "[ . 1 . 2]" 1
263 1 32 ALA H 1 33 ARG H 2.800 . 3.600 2.578 2.564 2.602 . 0 0 "[ . 1 . 2]" 1
264 1 32 ALA H 1 35 LEU H 4.760 . 6.500 5.048 4.932 5.162 . 0 0 "[ . 1 . 2]" 1
265 1 32 ALA MB 1 33 ARG H 2.570 . 3.370 2.774 2.575 2.836 . 0 0 "[ . 1 . 2]" 1
266 1 33 ARG H 1 33 ARG HA 2.850 . 3.650 2.830 2.806 2.846 . 0 0 "[ . 1 . 2]" 1
267 1 33 ARG H 1 33 ARG HB3 2.400 . 3.200 2.949 2.893 3.190 . 0 0 "[ . 1 . 2]" 1
268 1 33 ARG H 1 33 ARG QD 4.920 . 5.920 4.386 4.138 4.673 . 0 0 "[ . 1 . 2]" 1
269 1 33 ARG H 1 34 ARG QB 5.020 . 6.500 4.478 4.309 4.622 . 0 0 "[ . 1 . 2]" 1
270 1 30 GLU HA 1 34 ARG H 4.440 . 5.440 5.072 4.434 5.289 . 0 0 "[ . 1 . 2]" 1
271 1 31 ILE H 1 34 ARG H 4.760 2.500 6.060 5.237 4.852 5.340 . 0 0 "[ . 1 . 2]" 1
272 1 32 ALA H 1 34 ARG H 3.980 2.500 4.980 4.242 4.050 4.305 . 0 0 "[ . 1 . 2]" 1
273 1 34 ARG H 1 34 ARG HA 2.890 . 3.890 2.879 2.847 2.904 . 0 0 "[ . 1 . 2]" 1
274 1 34 ARG H 1 34 ARG HD2 3.700 . 4.700 2.710 2.361 4.787 0.087 6 0 "[ . 1 . 2]" 1
275 1 34 ARG H 1 35 LEU QD 5.760 . 6.500 4.063 3.586 4.915 . 0 0 "[ . 1 . 2]" 1
276 1 34 ARG HA 1 35 LEU H 3.520 . 4.520 3.463 3.356 3.519 . 0 0 "[ . 1 . 2]" 1
277 1 34 ARG HD2 1 35 LEU H 5.260 2.500 6.260 4.705 4.317 4.866 . 0 0 "[ . 1 . 2]" 1
278 1 35 LEU H 1 35 LEU HA 2.970 . 3.970 2.924 2.913 2.933 . 0 0 "[ . 1 . 2]" 1
279 1 35 LEU H 1 35 LEU QD 3.870 . 4.870 2.912 2.413 3.447 . 0 0 "[ . 1 . 2]" 1
280 1 35 LEU H 1 36 GLY QA 4.490 2.500 5.490 4.178 4.118 4.265 . 0 0 "[ . 1 . 2]" 1
281 1 35 LEU H 1 36 GLY H 2.180 . 2.980 2.209 2.136 2.302 . 0 0 "[ . 1 . 2]" 1
282 1 34 ARG HD2 1 36 GLY H 6.250 2.500 6.500 6.032 5.599 6.507 0.007 6 0 "[ . 1 . 2]" 1
283 1 35 LEU HA 1 36 GLY H 3.430 . 4.430 3.420 3.412 3.430 . 0 0 "[ . 1 . 2]" 1
284 1 35 LEU QD 1 36 GLY H 5.140 . 6.500 4.194 4.048 4.343 . 0 0 "[ . 1 . 2]" 1
285 1 36 GLY H 1 36 GLY QA 2.330 . 3.130 2.235 2.219 2.260 . 0 0 "[ . 1 . 2]" 1
286 1 35 LEU HA 1 37 LEU H 5.110 2.500 6.110 5.117 4.402 5.400 . 0 0 "[ . 1 . 2]" 1
287 1 35 LEU QD 1 37 LEU H 5.340 . 6.500 4.657 4.150 4.893 . 0 0 "[ . 1 . 2]" 1
288 1 36 GLY QA 1 37 LEU H 2.810 . 3.310 2.730 2.619 2.947 . 0 0 "[ . 1 . 2]" 1
289 1 36 GLY H 1 37 LEU H 2.570 . 3.370 2.523 2.381 2.624 . 0 0 "[ . 1 . 2]" 1
290 1 37 LEU H 1 37 LEU HA 2.980 . 3.780 2.941 2.931 2.949 . 0 0 "[ . 1 . 2]" 1
291 1 37 LEU H 1 37 LEU HB3 2.460 . 3.860 3.771 3.166 3.868 0.008 5 0 "[ . 1 . 2]" 1
292 1 37 LEU H 1 37 LEU HB2 3.790 . 6.290 2.973 2.836 3.757 . 0 0 "[ . 1 . 2]" 1
293 1 37 LEU H 1 38 SER H 4.520 2.500 5.820 4.421 4.400 4.512 . 0 0 "[ . 1 . 2]" 1
294 1 37 LEU HA 1 38 SER H 2.520 . 3.220 2.544 2.396 2.570 . 0 0 "[ . 1 . 2]" 1
295 1 37 LEU HB3 1 38 SER H 3.420 . 4.420 2.315 2.092 3.605 . 0 0 "[ . 1 . 2]" 1
296 1 37 LEU HB2 1 38 SER H 2.280 . 2.980 2.926 2.086 3.056 0.076 12 0 "[ . 1 . 2]" 1
297 1 38 SER H 1 38 SER HA 2.930 . 3.730 2.929 2.863 2.942 . 0 0 "[ . 1 . 2]" 1
298 1 38 SER H 1 41 ASP HB2 5.450 . 6.500 3.621 3.153 4.480 . 0 0 "[ . 1 . 2]" 1
299 1 38 SER H 1 41 ASP H 4.890 . 6.500 4.485 4.252 4.791 . 0 0 "[ . 1 . 2]" 1
300 1 40 GLU H 1 40 GLU HA 2.920 . 4.120 2.855 2.803 2.865 . 0 0 "[ . 1 . 2]" 1
301 1 40 GLU H 1 40 GLU QG 2.460 . 3.160 2.485 1.843 2.615 . 0 0 "[ . 1 . 2]" 1
302 1 40 GLU H 1 41 ASP HB2 5.910 . 6.500 4.606 4.477 4.849 . 0 0 "[ . 1 . 2]" 1
303 1 40 GLU H 1 41 ASP H 2.340 . 3.040 2.529 2.480 2.692 . 0 0 "[ . 1 . 2]" 1
304 1 40 GLU H 1 42 ILE H 3.770 2.500 4.470 4.054 3.960 4.152 . 0 0 "[ . 1 . 2]" 1
305 1 40 GLU HA 1 41 ASP H 3.420 . 4.120 3.420 3.348 3.465 . 0 0 "[ . 1 . 2]" 1
306 1 40 GLU QG 1 41 ASP H 4.440 . 5.440 4.229 2.759 4.415 . 0 0 "[ . 1 . 2]" 1
307 1 41 ASP H 1 41 ASP HA 2.960 . 3.660 2.928 2.920 2.947 . 0 0 "[ . 1 . 2]" 1
308 1 41 ASP H 1 41 ASP HB2 3.640 . 6.140 2.385 2.327 2.437 . 0 0 "[ . 1 . 2]" 1
309 1 41 ASP H 1 42 ILE HA 4.830 . 5.830 4.883 4.737 4.928 . 0 0 "[ . 1 . 2]" 1
310 1 41 ASP H 1 42 ILE HB 4.290 . 6.500 4.924 4.747 4.991 . 0 0 "[ . 1 . 2]" 1
311 1 41 ASP H 1 42 ILE MD 5.110 . 6.500 4.494 4.302 4.593 . 0 0 "[ . 1 . 2]" 1
312 1 41 ASP H 1 42 ILE HG13 5.480 . 6.500 3.197 2.967 3.322 . 0 0 "[ . 1 . 2]" 1
313 1 41 ASP H 1 42 ILE HG12 3.830 . 4.830 4.627 4.393 4.785 . 0 0 "[ . 1 . 2]" 1
314 1 41 ASP H 1 42 ILE H 2.120 . 2.620 2.174 2.024 2.225 . 0 0 "[ . 1 . 2]" 1
315 1 39 PRO HA 1 42 ILE H 3.210 . 3.710 3.271 2.975 3.390 . 0 0 "[ . 1 . 2]" 1
316 1 40 GLU HA 1 42 ILE H 4.210 . 5.210 4.397 4.106 4.557 . 0 0 "[ . 1 . 2]" 1
317 1 41 ASP HA 1 42 ILE H 3.470 . 3.970 3.480 3.436 3.514 . 0 0 "[ . 1 . 2]" 1
318 1 41 ASP HB2 1 42 ILE H 3.900 . 4.900 2.991 2.773 3.174 . 0 0 "[ . 1 . 2]" 1
319 1 42 ILE H 1 42 ILE HA 2.880 . 3.380 2.909 2.896 2.918 . 0 0 "[ . 1 . 2]" 1
320 1 42 ILE H 1 42 ILE HB 2.430 . 2.930 2.913 2.865 2.945 0.015 15 0 "[ . 1 . 2]" 1
321 1 42 ILE H 1 42 ILE HG13 3.700 . 6.200 1.784 1.768 1.796 0.032 4 0 "[ . 1 . 2]" 1
322 1 42 ILE H 1 42 ILE HG12 2.350 . 3.050 3.080 3.060 3.091 0.041 1 0 "[ . 1 . 2]" 1
323 1 42 ILE H 1 42 ILE MG 4.360 . 6.500 3.780 3.773 3.786 . 0 0 "[ . 1 . 2]" 1
324 1 42 ILE H 1 43 LYS H 4.540 . 5.540 4.476 4.397 4.571 . 0 0 "[ . 1 . 2]" 1
325 1 42 ILE HA 1 43 LYS H 2.160 . 2.860 2.146 2.120 2.241 . 0 0 "[ . 1 . 2]" 1
326 1 42 ILE HB 1 43 LYS H 4.330 . 6.500 3.860 3.447 3.987 . 0 0 "[ . 1 . 2]" 1
327 1 43 LYS H 1 43 LYS HB3 2.480 . 3.180 3.066 2.988 3.195 0.015 11 0 "[ . 1 . 2]" 1
328 1 43 LYS H 1 43 LYS HB2 3.700 . 6.200 2.668 2.513 3.785 . 0 0 "[ . 1 . 2]" 1
329 1 43 LYS H 1 43 LYS HE3 5.870 . 6.500 6.481 5.937 6.524 0.024 13 0 "[ . 1 . 2]" 1
330 1 43 LYS H 1 43 LYS QG 2.870 . 5.370 3.953 2.147 4.280 . 0 0 "[ . 1 . 2]" 1
331 1 43 LYS H 1 44 LEU HA 5.100 2.500 6.100 4.895 4.654 4.985 . 0 0 "[ . 1 . 2]" 1
332 1 43 LYS H 1 44 LEU QD 4.370 . 6.500 4.700 3.715 5.240 . 0 0 "[ . 1 . 2]" 1
333 1 43 LYS H 1 70 LEU HA 5.120 . 6.500 4.876 4.100 5.791 . 0 0 "[ . 1 . 2]" 1
334 1 43 LYS H 1 71 GLU HA 4.820 . 6.500 4.958 4.710 5.525 . 0 0 "[ . 1 . 2]" 1
335 1 43 LYS H 1 71 GLU H 3.290 . 3.990 3.034 2.371 3.989 . 0 0 "[ . 1 . 2]" 1
336 1 43 LYS HA 1 44 LEU H 2.280 . 2.980 2.174 2.141 2.251 . 0 0 "[ . 1 . 2]" 1
337 1 44 LEU H 1 44 LEU HA 2.980 . 3.780 2.917 2.905 2.936 . 0 0 "[ . 1 . 2]" 1
338 1 44 LEU H 1 44 LEU HB2 3.730 . 6.230 2.400 2.358 2.441 . 0 0 "[ . 1 . 2]" 1
339 1 44 LEU H 1 44 LEU QD 2.550 . 3.550 2.496 2.143 3.207 . 0 0 "[ . 1 . 2]" 1
340 1 44 LEU H 1 51 LEU H 3.600 . 4.100 3.754 3.479 4.011 . 0 0 "[ . 1 . 2]" 1
341 1 44 LEU HA 1 45 THR H 2.210 . 2.910 2.166 2.144 2.197 . 0 0 "[ . 1 . 2]" 1
342 1 45 THR H 1 45 THR HB 2.740 . 3.740 3.003 2.941 3.433 . 0 0 "[ . 1 . 2]" 1
343 1 45 THR H 1 46 HIS QB 4.960 . 6.460 4.737 4.583 4.921 . 0 0 "[ . 1 . 2]" 1
344 1 45 THR H 1 46 HIS H 4.370 . 6.500 4.327 4.274 4.419 . 0 0 "[ . 1 . 2]" 1
345 1 45 THR H 1 51 LEU QD 3.560 . 6.060 3.954 3.700 4.422 . 0 0 "[ . 1 . 2]" 1
346 1 45 THR H 1 68 ILE HA 5.520 . 6.500 5.537 5.187 6.419 . 0 0 "[ . 1 . 2]" 1
347 1 45 THR H 1 69 THR HB 4.020 . 5.020 4.710 3.406 5.011 . 0 0 "[ . 1 . 2]" 1
348 1 45 THR H 1 70 LEU HA 3.210 . 4.010 3.183 2.687 3.618 . 0 0 "[ . 1 . 2]" 1
349 1 45 THR H 1 70 LEU H 4.890 2.500 5.890 5.155 4.869 5.362 . 0 0 "[ . 1 . 2]" 1
350 1 45 THR HA 1 46 HIS H 2.130 . 2.630 2.136 2.121 2.184 . 0 0 "[ . 1 . 2]" 1
351 1 45 THR MG 1 46 HIS H 2.800 . 3.600 2.746 2.626 2.926 . 0 0 "[ . 1 . 2]" 1
352 1 46 HIS H 1 46 HIS HA 2.950 . 3.750 2.934 2.913 2.943 . 0 0 "[ . 1 . 2]" 1
353 1 46 HIS H 1 46 HIS QB 2.870 . 3.670 2.626 2.572 2.719 . 0 0 "[ . 1 . 2]" 1
354 1 46 HIS H 1 51 LEU QD 2.530 . 5.030 3.090 2.746 3.985 . 0 0 "[ . 1 . 2]" 1
355 1 46 HIS H 1 51 LEU HG 5.190 . 6.500 4.888 3.788 5.459 . 0 0 "[ . 1 . 2]" 1
356 1 46 HIS HA 1 47 ASN H 2.100 . 6.500 2.131 2.118 2.147 . 0 0 "[ . 1 . 2]" 1
357 1 46 HIS H 1 47 ASN H 4.170 . 6.500 4.171 3.885 4.261 . 0 0 "[ . 1 . 2]" 1
358 1 47 ASN H 1 47 ASN HB3 3.730 . 6.230 3.809 2.977 4.119 . 0 0 "[ . 1 . 2]" 1
359 1 47 ASN H 1 47 ASN HB2 3.930 . 6.430 3.496 3.065 3.970 . 0 0 "[ . 1 . 2]" 1
360 1 47 ASN H 1 47 ASN HD21 5.020 . 6.500 4.459 3.552 5.703 . 0 0 "[ . 1 . 2]" 1
361 1 47 ASN H 1 49 LYS H 4.190 . 6.500 4.287 4.092 4.456 . 0 0 "[ . 1 . 2]" 1
362 1 47 ASN HA 1 47 ASN HD21 4.660 2.500 5.660 4.064 3.897 4.335 . 0 0 "[ . 1 . 2]" 1
363 1 47 ASN HA 1 47 ASN HD22 4.460 . 5.960 4.541 4.311 5.118 . 0 0 "[ . 1 . 2]" 1
364 1 47 ASN HB3 1 47 ASN HD21 3.460 . 4.460 3.110 2.175 3.494 . 0 0 "[ . 1 . 2]" 1
365 1 47 ASN HB2 1 47 ASN HD22 3.020 . 3.820 3.544 3.433 3.819 . 0 0 "[ . 1 . 2]" 1
366 1 47 ASN HD22 1 49 LYS H 6.000 . 6.500 6.120 4.708 6.555 0.055 10 0 "[ . 1 . 2]" 1
367 1 45 THR HA 1 48 GLY H 5.130 2.500 6.130 5.036 4.840 5.234 . 0 0 "[ . 1 . 2]" 1
368 1 45 THR MG 1 48 GLY H 2.650 . 3.650 2.896 2.712 3.583 . 0 0 "[ . 1 . 2]" 1
369 1 46 HIS HA 1 48 GLY H 3.740 . 5.240 3.664 3.552 3.797 . 0 0 "[ . 1 . 2]" 1
370 1 47 ASN HB3 1 48 GLY H 4.390 2.500 5.390 4.375 4.056 4.652 . 0 0 "[ . 1 . 2]" 1
371 1 47 ASN HB2 1 48 GLY H 4.220 2.500 5.220 4.253 4.055 4.517 . 0 0 "[ . 1 . 2]" 1
372 1 47 ASN H 1 48 GLY H 2.870 . 5.370 2.689 2.560 2.930 . 0 0 "[ . 1 . 2]" 1
373 1 48 GLY H 1 48 GLY HA2 2.940 . 3.940 2.354 2.339 2.362 . 0 0 "[ . 1 . 2]" 1
374 1 48 GLY H 1 49 LYS QB 4.900 2.500 5.900 4.766 4.547 5.393 . 0 0 "[ . 1 . 2]" 1
375 1 48 GLY H 1 49 LYS QG 4.790 . 6.290 4.976 4.186 5.182 . 0 0 "[ . 1 . 2]" 1
376 1 48 GLY H 1 49 LYS H 2.540 . 3.240 2.627 2.371 2.808 . 0 0 "[ . 1 . 2]" 1
377 1 45 THR HA 1 49 LYS H 4.460 . 5.460 4.709 4.004 5.142 . 0 0 "[ . 1 . 2]" 1
378 1 45 THR MG 1 49 LYS H 3.250 . 3.750 3.257 2.503 3.692 . 0 0 "[ . 1 . 2]" 1
379 1 46 HIS HA 1 49 LYS H 4.430 2.500 5.430 4.672 4.292 4.951 . 0 0 "[ . 1 . 2]" 1
380 1 47 ASN HB2 1 49 LYS H 4.490 2.500 5.490 4.083 3.285 5.426 . 0 0 "[ . 1 . 2]" 1
381 1 48 GLY HA3 1 49 LYS H 3.260 . 4.060 3.199 3.070 3.471 . 0 0 "[ . 1 . 2]" 1
382 1 48 GLY HA2 1 49 LYS H 3.350 . 4.150 3.343 3.044 3.465 . 0 0 "[ . 1 . 2]" 1
383 1 49 LYS H 1 49 LYS HA 2.970 . 3.670 2.934 2.925 2.940 . 0 0 "[ . 1 . 2]" 1
384 1 49 LYS H 1 49 LYS QB 2.490 . 3.190 2.433 2.334 2.917 . 0 0 "[ . 1 . 2]" 1
385 1 49 LYS H 1 49 LYS QG 2.810 . 3.510 2.895 1.904 3.291 . 0 0 "[ . 1 . 2]" 1
386 1 49 LYS H 1 51 LEU QD 4.800 . 6.500 5.202 4.448 5.916 . 0 0 "[ . 1 . 2]" 1
387 1 45 THR HA 1 50 THR H 5.090 2.500 6.090 4.744 4.685 4.916 . 0 0 "[ . 1 . 2]" 1
388 1 49 LYS HA 1 50 THR H 2.220 . 2.720 2.229 2.170 2.277 . 0 0 "[ . 1 . 2]" 1
389 1 49 LYS QB 1 50 THR H 2.850 . 3.350 2.829 2.674 3.030 . 0 0 "[ . 1 . 2]" 1
390 1 50 THR H 1 50 THR HA 2.930 . 3.430 2.915 2.903 2.923 . 0 0 "[ . 1 . 2]" 1
391 1 50 THR H 1 50 THR MG 4.420 . 6.500 2.866 2.799 2.910 . 0 0 "[ . 1 . 2]" 1
392 1 45 THR HA 1 51 LEU H 3.240 . 3.740 3.706 3.631 3.752 0.012 20 0 "[ . 1 . 2]" 1
393 1 45 THR HB 1 51 LEU H 5.980 . 6.500 6.515 6.451 6.540 0.040 3 0 "[ . 1 . 2]" 1
394 1 46 HIS QB 1 51 LEU H 5.790 2.500 6.500 5.436 5.061 5.864 . 0 0 "[ . 1 . 2]" 1
395 1 49 LYS QB 1 51 LEU H 5.570 2.500 6.500 5.494 5.409 5.776 . 0 0 "[ . 1 . 2]" 1
396 1 50 THR HA 1 51 LEU H 2.120 . 2.820 2.267 2.211 2.326 . 0 0 "[ . 1 . 2]" 1
397 1 51 LEU H 1 51 LEU HA 2.940 . 3.640 2.934 2.922 2.948 . 0 0 "[ . 1 . 2]" 1
398 1 51 LEU H 1 51 LEU HB2 3.540 . 4.540 2.385 2.320 2.509 . 0 0 "[ . 1 . 2]" 1
399 1 51 LEU H 1 51 LEU QD 2.530 . 5.030 2.548 2.289 3.286 . 0 0 "[ . 1 . 2]" 1
400 1 51 LEU H 1 51 LEU HG 4.300 . 6.500 3.526 2.808 3.828 . 0 0 "[ . 1 . 2]" 1
401 1 51 LEU H 1 60 TYR QE 5.640 . 6.500 5.633 5.312 6.206 . 0 0 "[ . 1 . 2]" 1
402 1 51 LEU HA 1 52 ASP H 2.120 . 2.820 2.185 2.177 2.198 . 0 0 "[ . 1 . 2]" 1
403 1 51 LEU HB2 1 52 ASP H 3.620 . 4.620 4.178 4.142 4.218 . 0 0 "[ . 1 . 2]" 1
404 1 51 LEU QD 1 52 ASP H 4.090 . 5.590 3.912 3.342 4.094 . 0 0 "[ . 1 . 2]" 1
405 1 51 LEU HG 1 52 ASP H 4.260 . 5.260 4.250 4.005 4.802 . 0 0 "[ . 1 . 2]" 1
406 1 51 LEU H 1 52 ASP H 4.470 . 5.470 4.505 4.427 4.529 . 0 0 "[ . 1 . 2]" 1
407 1 52 ASP H 1 52 ASP HA 2.900 . 3.600 2.909 2.889 2.921 . 0 0 "[ . 1 . 2]" 1
408 1 52 ASP H 1 52 ASP HB3 2.630 . 3.330 3.048 2.833 3.384 0.054 3 0 "[ . 1 . 2]" 1
409 1 52 ASP H 1 52 ASP HB2 2.440 . 3.140 2.334 2.146 2.485 . 0 0 "[ . 1 . 2]" 1
410 1 52 ASP H 1 55 LEU H 4.780 2.500 6.280 4.501 4.322 4.730 . 0 0 "[ . 1 . 2]" 1
411 1 52 ASP H 1 60 TYR QD 4.580 2.500 6.080 4.808 4.379 5.183 . 0 0 "[ . 1 . 2]" 1
412 1 52 ASP H 1 60 TYR QE 2.550 . 3.550 2.905 2.453 3.399 . 0 0 "[ . 1 . 2]" 1
413 1 24 VAL QG 1 54 SER H 5.290 2.500 6.290 4.559 4.350 4.728 . 0 0 "[ . 1 . 2]" 1
414 1 52 ASP HA 1 54 SER H 3.870 . 4.870 3.944 3.863 4.061 . 0 0 "[ . 1 . 2]" 1
415 1 52 ASP HB3 1 54 SER H 4.690 . 5.690 2.902 2.517 3.207 . 0 0 "[ . 1 . 2]" 1
416 1 52 ASP HB2 1 54 SER H 3.800 2.500 5.300 4.431 4.175 4.556 . 0 0 "[ . 1 . 2]" 1
417 1 53 PRO QG 1 54 SER H 4.210 . 5.210 3.894 3.867 3.933 . 0 0 "[ . 1 . 2]" 1
418 1 54 SER H 1 54 SER HA 2.900 . 3.600 2.874 2.855 2.886 . 0 0 "[ . 1 . 2]" 1
419 1 54 SER H 1 54 SER QB 2.520 . 3.220 2.448 2.281 2.654 . 0 0 "[ . 1 . 2]" 1
420 1 54 SER H 1 55 LEU QD 5.480 . 6.500 4.408 3.572 4.563 . 0 0 "[ . 1 . 2]" 1
421 1 54 SER H 1 55 LEU HG 4.020 . 5.820 4.697 4.430 5.701 . 0 0 "[ . 1 . 2]" 1
422 1 54 SER H 1 55 LEU H 2.570 . 3.370 2.486 2.439 2.557 . 0 0 "[ . 1 . 2]" 1
423 1 54 SER H 1 60 TYR QE 6.160 2.500 6.500 6.315 6.152 6.456 . 0 0 "[ . 1 . 2]" 1
424 1 24 VAL HB 1 55 LEU H 3.480 . 4.480 4.237 3.830 4.436 . 0 0 "[ . 1 . 2]" 1
425 1 24 VAL QG 1 55 LEU H 4.220 . 5.020 3.710 3.535 3.904 . 0 0 "[ . 1 . 2]" 1
426 1 24 VAL H 1 55 LEU H 4.450 . 5.250 5.160 5.023 5.226 . 0 0 "[ . 1 . 2]" 1
427 1 52 ASP HB3 1 55 LEU H 4.780 . 6.500 2.696 2.509 3.130 . 0 0 "[ . 1 . 2]" 1
428 1 53 PRO HA 1 55 LEU H 3.790 . 4.790 4.208 4.102 4.298 . 0 0 "[ . 1 . 2]" 1
429 1 53 PRO HB3 1 55 LEU H 5.120 . 6.500 5.880 5.814 5.943 . 0 0 "[ . 1 . 2]" 1
430 1 54 SER HA 1 55 LEU H 3.390 . 4.390 3.491 3.480 3.500 . 0 0 "[ . 1 . 2]" 1
431 1 54 SER QB 1 55 LEU H 4.200 . 5.200 3.046 2.874 3.615 . 0 0 "[ . 1 . 2]" 1
432 1 55 LEU H 1 55 LEU HA 2.970 . 3.770 2.869 2.855 2.881 . 0 0 "[ . 1 . 2]" 1
433 1 55 LEU H 1 55 LEU HB3 2.380 . 3.180 3.454 3.426 3.468 0.288 18 0 "[ . 1 . 2]" 1
434 1 55 LEU H 1 55 LEU QD 3.840 . 4.640 3.141 2.434 3.280 . 0 0 "[ . 1 . 2]" 1
435 1 55 LEU H 1 56 THR H 4.570 . 5.570 4.407 4.382 4.428 . 0 0 "[ . 1 . 2]" 1
436 1 55 LEU H 1 60 TYR QE 4.370 2.500 5.370 4.491 4.361 4.641 . 0 0 "[ . 1 . 2]" 1
437 1 24 VAL QG 1 56 THR H 4.700 2.500 5.700 3.846 3.555 4.144 . 0 0 "[ . 1 . 2]" 1
438 1 55 LEU HA 1 56 THR H 2.370 . 3.170 2.630 2.615 2.639 . 0 0 "[ . 1 . 2]" 1
439 1 55 LEU HB3 1 56 THR H 3.600 . 4.600 1.894 1.855 1.927 . 0 0 "[ . 1 . 2]" 1
440 1 55 LEU HB2 1 56 THR H 2.510 . 3.210 3.311 3.294 3.345 0.135 7 0 "[ . 1 . 2]" 1
441 1 55 LEU MD2 1 56 THR H 3.810 . 4.810 2.944 2.726 3.105 . 0 0 "[ . 1 . 2]" 1
442 1 56 THR H 1 56 THR HA 2.930 . 3.630 2.946 2.943 2.948 . 0 0 "[ . 1 . 2]" 1
443 1 56 THR H 1 56 THR MG 2.270 . 2.770 2.788 2.774 2.793 0.023 20 0 "[ . 1 . 2]" 1
444 1 56 THR H 1 59 GLU H 4.180 2.500 5.180 4.107 3.895 4.333 . 0 0 "[ . 1 . 2]" 1
445 1 56 THR H 1 60 TYR QD 5.560 2.500 6.500 4.158 4.017 4.460 . 0 0 "[ . 1 . 2]" 1
446 1 56 THR H 1 60 TYR QE 5.180 2.500 6.180 4.208 3.768 4.621 . 0 0 "[ . 1 . 2]" 1
447 1 56 THR H 1 60 TYR H 6.200 . 6.500 5.220 4.973 5.430 . 0 0 "[ . 1 . 2]" 1
448 1 21 GLU HA 1 57 LEU H 5.490 . 6.500 6.493 6.210 6.525 0.025 8 0 "[ . 1 . 2]" 1
449 1 22 PHE HB3 1 57 LEU H 4.930 2.500 5.930 5.662 5.333 5.916 . 0 0 "[ . 1 . 2]" 1
450 1 22 PHE HB2 1 57 LEU H 5.450 . 6.500 6.242 6.049 6.425 . 0 0 "[ . 1 . 2]" 1
451 1 24 VAL HA 1 57 LEU H 5.050 2.500 6.050 4.983 4.753 5.170 . 0 0 "[ . 1 . 2]" 1
452 1 56 THR HA 1 57 LEU H 2.410 . 2.910 2.363 2.321 2.426 . 0 0 "[ . 1 . 2]" 1
453 1 56 THR MG 1 57 LEU H 4.120 . 6.500 3.646 3.587 3.695 . 0 0 "[ . 1 . 2]" 1
454 1 57 LEU H 1 57 LEU HA 2.880 . 3.680 2.854 2.851 2.856 . 0 0 "[ . 1 . 2]" 1
455 1 57 LEU H 1 57 LEU MD1 3.980 . 4.980 3.193 3.084 3.283 . 0 0 "[ . 1 . 2]" 1
456 1 57 LEU H 1 57 LEU MD2 3.740 . 4.740 3.859 3.821 3.905 . 0 0 "[ . 1 . 2]" 1
457 1 57 LEU H 1 58 ALA H 2.590 . 3.390 2.521 2.512 2.544 . 0 0 "[ . 1 . 2]" 1
458 1 57 LEU H 1 62 ILE MD 5.540 . 6.500 4.807 4.578 5.729 . 0 0 "[ . 1 . 2]" 1
459 1 20 PRO HB3 1 58 ALA H 4.480 2.500 5.480 5.380 5.060 5.466 . 0 0 "[ . 1 . 2]" 1
460 1 21 GLU HA 1 58 ALA H 5.240 . 6.500 6.277 5.573 6.509 0.009 7 0 "[ . 1 . 2]" 1
461 1 56 THR HA 1 58 ALA H 4.080 . 5.080 4.236 4.195 4.293 . 0 0 "[ . 1 . 2]" 1
462 1 56 THR HB 1 58 ALA H 2.660 . 3.460 2.678 2.600 2.776 . 0 0 "[ . 1 . 2]" 1
463 1 57 LEU MD1 1 58 ALA H 5.570 . 6.500 4.482 4.346 4.577 . 0 0 "[ . 1 . 2]" 1
464 1 57 LEU MD2 1 58 ALA H 5.170 . 6.500 4.909 4.872 4.940 . 0 0 "[ . 1 . 2]" 1
465 1 58 ALA H 1 58 ALA HA 2.900 . 3.700 2.871 2.840 2.889 . 0 0 "[ . 1 . 2]" 1
466 1 58 ALA H 1 58 ALA MB 2.470 . 3.470 2.258 2.236 2.272 . 0 0 "[ . 1 . 2]" 1
467 1 58 ALA H 1 59 GLU H 2.490 . 3.290 2.546 2.493 2.644 . 0 0 "[ . 1 . 2]" 1
468 1 58 ALA H 1 60 TYR H 4.190 2.500 5.190 4.235 4.123 4.327 . 0 0 "[ . 1 . 2]" 1
469 1 58 ALA MB 1 59 GLU H 3.250 . 4.250 3.155 3.051 3.224 . 0 0 "[ . 1 . 2]" 1
470 1 59 GLU H 1 59 GLU HA 2.910 . 3.710 2.896 2.892 2.899 . 0 0 "[ . 1 . 2]" 1
471 1 59 GLU H 1 59 GLU HB3 2.370 . 3.170 2.933 2.870 3.195 0.025 7 0 "[ . 1 . 2]" 1
472 1 59 GLU H 1 59 GLU HB2 3.610 . 4.610 2.300 2.132 2.344 . 0 0 "[ . 1 . 2]" 1
473 1 59 GLU H 1 60 TYR HB3 4.660 2.500 5.660 5.701 5.693 5.714 0.054 15 0 "[ . 1 . 2]" 1
474 1 59 GLU H 1 60 TYR HB2 6.080 . 6.500 4.168 4.157 4.198 . 0 0 "[ . 1 . 2]" 1
475 1 59 GLU H 1 60 TYR QD 3.900 . 6.400 3.923 3.660 4.045 . 0 0 "[ . 1 . 2]" 1
476 1 59 GLU H 1 60 TYR QE 5.340 . 6.500 5.793 5.439 5.941 . 0 0 "[ . 1 . 2]" 1
477 1 59 GLU H 1 60 TYR H 2.450 . 3.250 2.311 2.281 2.336 . 0 0 "[ . 1 . 2]" 1
478 1 59 GLU HB3 1 60 TYR H 3.180 . 3.980 3.095 2.919 3.340 . 0 0 "[ . 1 . 2]" 1
479 1 59 GLU HB2 1 60 TYR H 4.010 . 5.010 3.713 3.483 3.832 . 0 0 "[ . 1 . 2]" 1
480 1 60 TYR H 1 60 TYR HA 2.980 . 3.780 2.888 2.870 2.902 . 0 0 "[ . 1 . 2]" 1
481 1 60 TYR H 1 60 TYR HB3 2.590 . 3.390 3.463 3.451 3.489 0.099 15 0 "[ . 1 . 2]" 1
482 1 60 TYR H 1 60 TYR HB2 3.780 . 6.280 2.173 2.153 2.204 . 0 0 "[ . 1 . 2]" 1
483 1 60 TYR H 1 60 TYR QD 3.020 . 3.820 2.848 2.554 2.971 . 0 0 "[ . 1 . 2]" 1
484 1 60 TYR H 1 60 TYR QE 5.140 . 6.500 4.998 4.698 5.130 . 0 0 "[ . 1 . 2]" 1
485 1 60 TYR H 1 61 GLY H 1.900 . 2.900 2.337 2.269 2.422 . 0 0 "[ . 1 . 2]" 1
486 1 60 TYR H 1 62 ILE MD 3.860 . 4.660 3.627 3.487 3.869 . 0 0 "[ . 1 . 2]" 1
487 1 60 TYR H 1 62 ILE QG 6.300 . 6.500 4.171 4.012 4.422 . 0 0 "[ . 1 . 2]" 1
488 1 59 GLU HB3 1 61 GLY H 5.060 2.500 6.060 5.061 4.951 5.191 . 0 0 "[ . 1 . 2]" 1
489 1 59 GLU HB2 1 61 GLY H 5.830 . 6.500 5.477 5.360 5.550 . 0 0 "[ . 1 . 2]" 1
490 1 60 TYR HA 1 61 GLY H 3.510 . 4.010 3.439 3.435 3.442 . 0 0 "[ . 1 . 2]" 1
491 1 60 TYR HB3 1 61 GLY H 2.910 . 4.410 3.760 3.723 3.854 . 0 0 "[ . 1 . 2]" 1
492 1 60 TYR HB2 1 61 GLY H 3.870 . 4.870 3.248 3.186 3.290 . 0 0 "[ . 1 . 2]" 1
493 1 60 TYR QD 1 61 GLY H 4.390 2.500 5.390 4.697 4.554 4.745 . 0 0 "[ . 1 . 2]" 1
494 1 61 GLY H 1 61 GLY HA3 2.400 . 3.200 2.906 2.897 2.918 . 0 0 "[ . 1 . 2]" 1
495 1 61 GLY H 1 61 GLY HA2 2.980 . 3.980 2.340 2.330 2.353 . 0 0 "[ . 1 . 2]" 1
496 1 61 GLY H 1 62 ILE HB 4.340 . 5.340 4.899 4.801 5.023 . 0 0 "[ . 1 . 2]" 1
497 1 61 GLY H 1 62 ILE MD 2.870 . 5.370 3.933 3.777 4.077 . 0 0 "[ . 1 . 2]" 1
498 1 61 GLY H 1 62 ILE QG 5.150 . 6.500 3.448 3.333 3.574 . 0 0 "[ . 1 . 2]" 1
499 1 61 GLY H 1 62 ILE HG12 5.150 2.500 6.150 5.251 5.120 5.389 . 0 0 "[ . 1 . 2]" 1
500 1 60 TYR HA 1 62 ILE H 5.370 . 6.500 5.337 5.310 5.388 . 0 0 "[ . 1 . 2]" 1
501 1 60 TYR HB3 1 62 ILE H 3.680 . 4.680 4.361 4.273 4.634 . 0 0 "[ . 1 . 2]" 1
502 1 60 TYR HB2 1 62 ILE H 4.780 . 6.500 3.955 3.884 4.033 . 0 0 "[ . 1 . 2]" 1
503 1 61 GLY HA3 1 62 ILE H 2.830 . 3.630 3.562 3.555 3.567 . 0 0 "[ . 1 . 2]" 1
504 1 61 GLY HA2 1 62 ILE H 3.560 . 4.560 2.767 2.755 2.777 . 0 0 "[ . 1 . 2]" 1
505 1 61 GLY H 1 62 ILE H 2.210 . 3.010 2.459 2.401 2.513 . 0 0 "[ . 1 . 2]" 1
506 1 62 ILE H 1 62 ILE HA 2.950 . 3.650 2.938 2.924 2.949 . 0 0 "[ . 1 . 2]" 1
507 1 62 ILE H 1 62 ILE HB 2.420 . 2.920 2.741 2.687 2.796 . 0 0 "[ . 1 . 2]" 1
508 1 62 ILE H 1 62 ILE MD 2.120 . 3.620 3.120 2.981 3.340 . 0 0 "[ . 1 . 2]" 1
509 1 62 ILE H 1 62 ILE QG 3.590 . 4.590 2.311 2.135 2.499 . 0 0 "[ . 1 . 2]" 1
510 1 62 ILE H 1 62 ILE HG12 3.590 . 4.590 3.845 3.695 4.000 . 0 0 "[ . 1 . 2]" 1
511 1 62 ILE H 1 62 ILE MG 4.290 . 6.500 3.865 3.837 3.910 . 0 0 "[ . 1 . 2]" 1
512 1 62 ILE HA 1 63 THR H 2.120 . 2.820 2.192 2.166 2.222 . 0 0 "[ . 1 . 2]" 1
513 1 62 ILE HB 1 63 THR H 4.420 . 4.920 3.838 3.746 3.932 . 0 0 "[ . 1 . 2]" 1
514 1 62 ILE MD 1 63 THR H 5.280 . 6.500 5.137 5.090 5.196 . 0 0 "[ . 1 . 2]" 1
515 1 62 ILE HG12 1 63 THR H 4.240 . 4.740 4.702 4.627 4.731 . 0 0 "[ . 1 . 2]" 1
516 1 62 ILE MG 1 63 THR H 3.280 . 3.780 2.331 2.237 2.437 . 0 0 "[ . 1 . 2]" 1
517 1 63 THR H 1 63 THR HA 2.970 . 3.470 2.944 2.941 2.946 . 0 0 "[ . 1 . 2]" 1
518 1 63 THR H 1 63 THR HB 3.870 . 4.370 3.709 3.213 3.749 . 0 0 "[ . 1 . 2]" 1
519 1 63 THR H 1 63 THR MG 2.960 . 3.460 3.036 2.040 3.109 . 0 0 "[ . 1 . 2]" 1
520 1 3 THR HA 1 65 GLY H 4.880 . 6.500 5.580 5.186 5.800 . 0 0 "[ . 1 . 2]" 1
521 1 4 ILE HA 1 65 GLY H 2.920 . 3.720 2.678 2.507 2.937 . 0 0 "[ . 1 . 2]" 1
522 1 4 ILE HG13 1 65 GLY H 5.570 . 6.500 5.719 5.432 6.117 . 0 0 "[ . 1 . 2]" 1
523 1 4 ILE HG12 1 65 GLY H 6.140 . 6.500 5.244 4.907 5.691 . 0 0 "[ . 1 . 2]" 1
524 1 4 ILE MG 1 65 GLY H 2.680 . 3.980 2.144 1.836 2.604 . 0 0 "[ . 1 . 2]" 1
525 1 4 ILE H 1 65 GLY H 4.730 2.500 6.030 5.006 4.687 5.304 . 0 0 "[ . 1 . 2]" 1
526 1 5 ASN HD21 1 65 GLY H 6.270 2.500 6.500 6.530 6.482 6.549 0.049 5 0 "[ . 1 . 2]" 1
527 1 64 PRO HA 1 65 GLY H 2.230 . 2.930 2.220 2.173 2.301 . 0 0 "[ . 1 . 2]" 1
528 1 64 PRO HB3 1 65 GLY H 3.200 . 3.700 3.426 3.168 3.713 0.013 7 0 "[ . 1 . 2]" 1
529 1 65 GLY H 1 65 GLY QA 2.350 . 3.350 2.300 2.275 2.331 . 0 0 "[ . 1 . 2]" 1
530 1 65 GLY H 1 66 SER H 2.330 . 3.130 2.205 2.108 2.305 . 0 0 "[ . 1 . 2]" 1
531 1 4 ILE MG 1 66 SER H 2.100 . 3.100 2.882 2.535 3.098 . 0 0 "[ . 1 . 2]" 1
532 1 5 ASN H 1 66 SER H 3.960 . 4.960 4.383 3.965 4.873 . 0 0 "[ . 1 . 2]" 1
533 1 64 PRO HA 1 66 SER H 3.200 . 4.200 3.301 3.174 3.381 . 0 0 "[ . 1 . 2]" 1
534 1 64 PRO HD3 1 66 SER H 6.300 . 6.500 6.437 6.241 6.483 . 0 0 "[ . 1 . 2]" 1
535 1 66 SER H 1 67 THR HA 4.970 2.500 5.970 5.202 5.111 5.282 . 0 0 "[ . 1 . 2]" 1
536 1 5 ASN HB3 1 67 THR H 5.100 2.500 6.100 5.958 5.750 6.053 . 0 0 "[ . 1 . 2]" 1
537 1 66 SER HA 1 67 THR H 2.380 . 3.380 2.391 2.293 2.498 . 0 0 "[ . 1 . 2]" 1
538 1 66 SER H 1 67 THR H 4.540 2.500 5.540 4.534 4.521 4.552 . 0 0 "[ . 1 . 2]" 1
539 1 67 THR H 1 67 THR HA 2.980 . 3.980 2.913 2.902 2.924 . 0 0 "[ . 1 . 2]" 1
540 1 67 THR H 1 67 THR MG 4.420 . 6.500 2.773 2.687 2.865 . 0 0 "[ . 1 . 2]" 1
541 1 67 THR H 1 68 ILE HA 4.990 . 6.500 5.175 5.122 5.263 . 0 0 "[ . 1 . 2]" 1
542 1 67 THR H 1 68 ILE H 4.420 2.500 5.420 4.458 4.412 4.498 . 0 0 "[ . 1 . 2]" 1
543 1 5 ASN HB3 1 68 ILE H 4.080 . 5.080 4.272 3.559 4.680 . 0 0 "[ . 1 . 2]" 1
544 1 5 ASN HB2 1 68 ILE H 4.860 2.500 5.860 4.764 3.183 5.738 . 0 0 "[ . 1 . 2]" 1
545 1 5 ASN HD22 1 68 ILE H 5.690 2.500 6.500 4.345 2.998 6.547 0.047 7 0 "[ . 1 . 2]" 1
546 1 6 ILE HA 1 68 ILE H 3.150 . 4.150 3.438 3.200 3.758 . 0 0 "[ . 1 . 2]" 1
547 1 6 ILE H 1 68 ILE H 4.920 . 6.420 5.046 4.590 5.478 . 0 0 "[ . 1 . 2]" 1
548 1 66 SER HA 1 68 ILE H 6.210 . 6.500 6.010 5.961 6.069 . 0 0 "[ . 1 . 2]" 1
549 1 67 THR HA 1 68 ILE H 2.140 . 2.940 2.159 2.147 2.170 . 0 0 "[ . 1 . 2]" 1
550 1 67 THR HB 1 68 ILE H 4.180 2.500 5.180 3.395 3.317 3.476 . 0 0 "[ . 1 . 2]" 1
551 1 67 THR MG 1 68 ILE H 2.910 . 3.810 3.796 3.752 3.835 0.025 2 0 "[ . 1 . 2]" 1
552 1 68 ILE H 1 68 ILE HA 2.980 . 3.780 2.949 2.942 2.954 . 0 0 "[ . 1 . 2]" 1
553 1 68 ILE H 1 68 ILE HB 3.840 . 5.040 2.771 2.603 2.866 . 0 0 "[ . 1 . 2]" 1
554 1 68 ILE H 1 68 ILE QG 2.230 . 4.730 2.708 2.187 3.092 . 0 0 "[ . 1 . 2]" 1
555 1 44 LEU HA 1 69 THR H 5.330 . 6.500 5.474 5.186 5.995 . 0 0 "[ . 1 . 2]" 1
556 1 45 THR HB 1 69 THR H 3.410 . 5.910 4.550 4.055 5.110 . 0 0 "[ . 1 . 2]" 1
557 1 46 HIS HA 1 69 THR H 3.700 . 4.700 4.209 3.753 4.517 . 0 0 "[ . 1 . 2]" 1
558 1 46 HIS QB 1 69 THR H 4.680 . 6.180 5.039 4.499 5.338 . 0 0 "[ . 1 . 2]" 1
559 1 68 ILE HA 1 69 THR H 2.410 . 2.910 2.182 2.129 2.287 . 0 0 "[ . 1 . 2]" 1
560 1 68 ILE MG 1 69 THR H 4.000 . 6.500 2.491 2.076 2.859 . 0 0 "[ . 1 . 2]" 1
561 1 68 ILE H 1 69 THR H 4.510 . 5.510 4.422 4.309 4.543 . 0 0 "[ . 1 . 2]" 1
562 1 69 THR H 1 69 THR HA 2.980 . 3.780 2.935 2.920 2.948 . 0 0 "[ . 1 . 2]" 1
563 1 69 THR H 1 69 THR HB 2.630 . 3.430 3.336 2.921 3.523 0.093 14 0 "[ . 1 . 2]" 1
564 1 69 THR H 1 69 THR MG 4.410 . 6.500 3.437 3.067 3.913 . 0 0 "[ . 1 . 2]" 1
565 1 69 THR H 1 70 LEU HB3 5.500 . 6.500 5.892 5.612 6.581 0.081 5 0 "[ . 1 . 2]" 1
566 1 69 THR H 1 70 LEU HG 6.110 . 6.500 6.516 6.483 6.549 0.049 19 0 "[ . 1 . 2]" 1
567 1 69 THR H 1 70 LEU H 4.370 2.500 5.370 4.380 4.102 4.508 . 0 0 "[ . 1 . 2]" 1
568 1 7 THR HB 1 70 LEU H 3.350 . 4.150 3.898 3.222 4.173 0.023 1 0 "[ . 1 . 2]" 1
569 1 6 ILE MG 1 70 LEU H 3.710 . 4.710 3.797 3.287 4.520 . 0 0 "[ . 1 . 2]" 1
570 1 69 THR MG 1 70 LEU H 3.110 . 3.610 3.275 2.580 3.543 . 0 0 "[ . 1 . 2]" 1
571 1 44 LEU HA 1 70 LEU H 5.290 2.500 6.290 5.411 5.153 5.853 . 0 0 "[ . 1 . 2]" 1
572 1 45 THR HB 1 70 LEU H 5.190 . 6.500 6.131 5.568 6.404 . 0 0 "[ . 1 . 2]" 1
573 1 69 THR HA 1 70 LEU H 2.140 . 2.940 2.170 2.110 2.245 . 0 0 "[ . 1 . 2]" 1
574 1 70 LEU H 1 70 LEU HA 2.980 . 3.780 2.933 2.918 2.947 . 0 0 "[ . 1 . 2]" 1
575 1 70 LEU H 1 70 LEU HB3 2.260 . 3.060 2.867 2.757 3.048 . 0 0 "[ . 1 . 2]" 1
576 1 42 ILE HA 1 71 GLU H 4.660 2.500 5.660 4.416 3.975 5.647 . 0 0 "[ . 1 . 2]" 1
577 1 44 LEU HA 1 71 GLU H 3.790 . 4.790 3.881 3.208 4.250 . 0 0 "[ . 1 . 2]" 1
578 1 70 LEU HA 1 71 GLU H 2.230 . 3.030 2.329 2.145 2.377 . 0 0 "[ . 1 . 2]" 1
579 1 70 LEU HG 1 71 GLU H 3.200 . 4.200 3.964 2.799 4.253 0.053 4 0 "[ . 1 . 2]" 1
580 1 70 LEU H 1 71 GLU H 4.520 2.500 5.520 4.528 4.410 4.572 . 0 0 "[ . 1 . 2]" 1
581 1 71 GLU H 1 71 GLU HA 2.900 . 3.700 2.929 2.921 2.942 . 0 0 "[ . 1 . 2]" 1
582 1 71 GLU H 1 72 ILE H 4.260 2.500 5.260 4.346 4.272 4.409 . 0 0 "[ . 1 . 2]" 1
583 1 9 PRO HB3 1 72 ILE H 4.910 2.500 5.910 5.557 4.934 5.913 0.003 19 0 "[ . 1 . 2]" 1
584 1 9 PRO QD 1 72 ILE H 3.850 . 6.350 4.996 3.866 5.661 . 0 0 "[ . 1 . 2]" 1
585 1 70 LEU HA 1 72 ILE H 6.260 . 6.500 6.324 6.026 6.462 . 0 0 "[ . 1 . 2]" 1
586 1 71 GLU HA 1 72 ILE H 2.190 . 2.990 2.226 2.156 2.311 . 0 0 "[ . 1 . 2]" 1
587 1 72 ILE H 1 72 ILE HB 2.980 . 3.980 2.851 2.766 2.941 . 0 0 "[ . 1 . 2]" 1
588 1 72 ILE H 1 72 ILE QG 4.430 . 6.500 2.941 2.506 4.127 . 0 0 "[ . 1 . 2]" 1
589 1 72 ILE H 1 72 ILE MG 1.950 . 4.450 3.841 2.148 3.965 . 0 0 "[ . 1 . 2]" 1
590 1 41 ASP H 1 73 LYS H 5.720 2.500 6.500 6.396 6.195 6.533 0.033 13 0 "[ . 1 . 2]" 1
591 1 42 ILE H 1 73 LYS H 4.780 . 6.280 5.708 5.213 6.008 . 0 0 "[ . 1 . 2]" 1
592 1 72 ILE HA 1 73 LYS H 2.170 . 2.870 2.231 2.166 2.274 . 0 0 "[ . 1 . 2]" 1
593 1 72 ILE MG 1 73 LYS H 4.260 . 6.500 2.351 2.125 3.545 . 0 0 "[ . 1 . 2]" 1
594 1 72 ILE H 1 73 LYS H 4.550 . 5.550 4.442 4.339 4.528 . 0 0 "[ . 1 . 2]" 1
595 1 73 LYS H 1 73 LYS HA 2.970 . 3.770 2.937 2.926 2.946 . 0 0 "[ . 1 . 2]" 1
596 1 73 LYS H 1 73 LYS HB2 3.760 . 6.260 2.884 2.361 3.708 . 0 0 "[ . 1 . 2]" 1
597 1 73 LYS H 1 73 LYS QG 2.780 . 3.580 2.668 1.909 3.243 . 0 0 "[ . 1 . 2]" 1
598 1 73 LYS H 1 74 LYS H 4.120 . 5.000 4.435 4.228 4.552 . 0 0 "[ . 1 . 2]" 1
599 1 72 ILE HB 1 74 LYS H 6.250 . 6.500 5.721 5.180 6.552 0.052 14 0 "[ . 1 . 2]" 1
600 1 72 ILE MG 1 74 LYS H 4.150 . 5.150 4.627 3.839 4.942 . 0 0 "[ . 1 . 2]" 1
601 1 73 LYS HA 1 74 LYS H 2.100 . 2.800 2.185 2.125 2.261 . 0 0 "[ . 1 . 2]" 1
602 1 74 LYS H 1 74 LYS QG 4.500 . 6.500 3.357 2.839 4.172 . 0 0 "[ . 1 . 2]" 1
603 1 74 LYS H 1 75 LYS H 4.140 . 5.140 3.983 1.918 4.557 . 0 0 "[ . 1 . 2]" 1
604 1 75 LYS H 1 75 LYS HA 2.970 . 5.470 2.905 2.260 2.946 . 0 0 "[ . 1 . 2]" 1
605 1 75 LYS H 1 75 LYS QB 2.440 . 3.440 2.493 2.318 3.325 . 0 0 "[ . 1 . 2]" 1
606 1 75 LYS H 1 75 LYS QG 2.820 . 3.820 3.113 2.869 3.827 0.007 20 0 "[ . 1 . 2]" 1
607 1 75 LYS HA 1 76 GLY H 2.180 . 3.180 2.268 2.130 3.201 0.021 17 0 "[ . 1 . 2]" 1
608 1 75 LYS QG 1 76 GLY H 4.170 . 6.500 3.855 3.634 4.498 . 0 0 "[ . 1 . 2]" 1
609 1 76 GLY H 1 76 GLY QA 2.350 . 3.350 2.411 2.290 2.500 . 0 0 "[ . 1 . 2]" 1
610 1 76 GLY QA 1 77 GLY H 3.100 . 4.100 2.279 2.115 2.620 . 0 0 "[ . 1 . 2]" 1
611 1 77 GLY QA 1 78 LEU H 2.320 . 3.320 2.270 2.097 2.654 . 0 0 "[ . 1 . 2]" 1
612 1 78 LEU H 1 78 LEU HA 2.300 . 3.300 2.870 2.264 2.948 . 0 0 "[ . 1 . 2]" 1
613 1 78 LEU H 1 78 LEU QB 3.520 . 4.520 2.530 2.269 3.386 . 0 0 "[ . 1 . 2]" 1
614 1 78 LEU H 1 78 LEU QD 2.920 . 5.420 3.178 2.465 3.883 . 0 0 "[ . 1 . 2]" 1
615 1 77 GLY QA 1 79 GLU H 4.340 2.500 5.340 4.779 3.742 5.338 . 0 0 "[ . 1 . 2]" 1
616 1 78 LEU HA 1 79 GLU H 3.590 . 6.090 2.636 2.111 3.566 . 0 0 "[ . 1 . 2]" 1
617 1 78 LEU QB 1 79 GLU H 2.070 . 4.570 3.009 2.364 3.800 . 0 0 "[ . 1 . 2]" 1
618 1 78 LEU QD 1 79 GLU H 4.580 2.500 5.580 3.652 2.543 4.066 . 0 0 "[ . 1 . 2]" 1
619 1 79 GLU H 1 79 GLU QB 2.510 . 3.510 2.512 2.271 3.304 . 0 0 "[ . 1 . 2]" 1
620 1 79 GLU H 1 79 GLU QG 4.420 . 5.420 3.272 2.796 4.139 . 0 0 "[ . 1 . 2]" 1
621 1 2 ASP HA 1 2 ASP HB2 2.340 . 3.340 2.944 2.527 3.020 . 0 0 "[ . 1 . 2]" 1
622 1 2 ASP HA 1 64 PRO QB 2.650 . 5.150 2.964 2.502 3.293 . 0 0 "[ . 1 . 2]" 1
623 1 3 THR HA 1 3 THR HB 2.450 . 2.950 2.558 2.548 2.570 . 0 0 "[ . 1 . 2]" 1
624 1 3 THR HA 1 3 THR MG 2.520 . 3.020 2.261 2.249 2.280 . 0 0 "[ . 1 . 2]" 1
625 1 3 THR HA 1 17 THR HA 2.070 . 3.070 2.592 2.395 2.921 . 0 0 "[ . 1 . 2]" 1
626 1 3 THR HB 1 3 THR MG 2.470 . 2.970 2.135 2.133 2.137 . 0 0 "[ . 1 . 2]" 1
627 1 3 THR HB 1 15 THR MG 2.120 . 2.620 2.173 2.111 2.286 . 0 0 "[ . 1 . 2]" 1
628 1 3 THR MG 1 17 THR HA 2.020 . 3.520 3.029 2.281 3.357 . 0 0 "[ . 1 . 2]" 1
629 1 4 ILE HA 1 4 ILE HB 2.470 . 2.970 2.551 2.528 2.566 . 0 0 "[ . 1 . 2]" 1
630 1 4 ILE HA 1 4 ILE HG13 3.750 . 4.250 3.579 3.544 3.629 . 0 0 "[ . 1 . 2]" 1
631 1 4 ILE HA 1 4 ILE HG12 3.630 . 4.130 3.861 3.792 3.905 . 0 0 "[ . 1 . 2]" 1
632 1 4 ILE HA 1 4 ILE MG 2.520 . 3.020 2.262 2.245 2.282 . 0 0 "[ . 1 . 2]" 1
633 1 4 ILE HB 1 4 ILE MG 2.470 . 2.970 2.125 2.122 2.128 . 0 0 "[ . 1 . 2]" 1
634 1 4 ILE HB 1 4 ILE MD 2.500 . 3.000 2.259 2.238 2.285 . 0 0 "[ . 1 . 2]" 1
635 1 4 ILE MD 1 4 ILE HG13 2.460 . 2.960 2.119 2.116 2.121 . 0 0 "[ . 1 . 2]" 1
636 1 4 ILE MD 1 4 ILE HG12 2.460 . 2.960 2.117 2.113 2.118 . 0 0 "[ . 1 . 2]" 1
637 1 4 ILE MD 1 64 PRO HA 5.070 2.500 6.070 5.056 4.723 5.337 . 0 0 "[ . 1 . 2]" 1
638 1 4 ILE HG13 1 4 ILE MG 2.470 . 3.970 3.121 3.086 3.164 . 0 0 "[ . 1 . 2]" 1
639 1 4 ILE MG 1 18 VAL QG 3.820 . 4.320 2.361 1.916 2.998 . 0 0 "[ . 1 . 2]" 1
640 1 4 ILE MG 1 64 PRO HA 2.170 . 4.670 2.054 1.994 2.129 . 0 0 "[ . 1 . 2]" 1
641 1 4 ILE MG 1 66 SER HB3 3.030 . 6.030 5.044 3.943 5.688 . 0 0 "[ . 1 . 2]" 1
642 1 4 ILE MG 1 66 SER HB2 4.710 2.500 5.710 4.594 3.689 5.569 . 0 0 "[ . 1 . 2]" 1
643 1 5 ASN HA 1 6 ILE MD 3.170 . 5.670 3.125 2.847 4.010 . 0 0 "[ . 1 . 2]" 1
644 1 5 ASN HA 1 13 THR MG 6.230 . 6.500 4.915 4.714 5.136 . 0 0 "[ . 1 . 2]" 1
645 1 5 ASN HA 1 15 THR HA 2.490 . 3.290 3.036 2.748 3.256 . 0 0 "[ . 1 . 2]" 1
646 1 5 ASN HA 1 15 THR MG 3.600 . 4.100 3.614 3.002 3.937 . 0 0 "[ . 1 . 2]" 1
647 1 5 ASN HB3 1 13 THR MG 5.390 . 6.500 4.474 3.251 5.211 . 0 0 "[ . 1 . 2]" 1
648 1 5 ASN HB2 1 13 THR MG 4.410 . 6.500 4.325 3.845 5.067 . 0 0 "[ . 1 . 2]" 1
649 1 5 ASN HB3 1 67 THR HA 2.760 . 3.760 3.563 3.019 3.782 0.022 1 0 "[ . 1 . 2]" 1
650 1 5 ASN HB2 1 67 THR HA 4.170 . 5.170 4.095 2.155 5.194 0.024 12 0 "[ . 1 . 2]" 1
651 1 6 ILE HA 1 6 ILE HG13 3.530 . 4.030 2.746 2.354 3.925 . 0 0 "[ . 1 . 2]" 1
652 1 6 ILE HA 1 6 ILE MG 2.610 . 3.110 2.301 2.206 2.407 . 0 0 "[ . 1 . 2]" 1
653 1 6 ILE HA 1 6 ILE MD 3.400 . 3.900 3.459 2.292 3.775 . 0 0 "[ . 1 . 2]" 1
654 1 6 ILE HB 1 6 ILE MD 2.400 . 3.400 2.378 2.198 3.245 . 0 0 "[ . 1 . 2]" 1
655 1 6 ILE MD 1 6 ILE HG12 2.460 . 2.960 2.117 2.113 2.118 . 0 0 "[ . 1 . 2]" 1
656 1 6 ILE MD 1 68 ILE HB 2.500 . 5.000 4.577 2.505 5.005 0.005 8 0 "[ . 1 . 2]" 1
657 1 6 ILE HB 1 6 ILE HG13 2.610 . 5.110 2.864 2.428 2.951 . 0 0 "[ . 1 . 2]" 1
658 1 6 ILE HB 1 6 ILE HG12 2.970 . 3.970 2.707 2.468 2.756 . 0 0 "[ . 1 . 2]" 1
659 1 6 ILE HG12 1 6 ILE MG 2.790 . 3.290 2.262 2.053 3.207 . 0 0 "[ . 1 . 2]" 1
660 1 6 ILE HB 1 6 ILE MG 2.470 . 2.970 2.117 2.103 2.127 . 0 0 "[ . 1 . 2]" 1
661 1 6 ILE HG13 1 6 ILE MG 2.290 . 3.290 2.705 2.360 2.812 . 0 0 "[ . 1 . 2]" 1
662 1 6 ILE MG 1 68 ILE HB 5.390 . 6.500 3.287 2.645 3.986 . 0 0 "[ . 1 . 2]" 1
663 1 7 THR HA 1 7 THR MG 2.550 . 3.050 2.197 2.183 2.224 . 0 0 "[ . 1 . 2]" 1
664 1 7 THR HA 1 13 THR HA 2.660 . 3.160 2.726 2.394 3.030 . 0 0 "[ . 1 . 2]" 1
665 1 7 THR HA 1 13 THR MG 2.120 . 4.620 2.536 2.236 3.254 . 0 0 "[ . 1 . 2]" 1
666 1 7 THR HB 1 7 THR MG 2.470 . 2.970 2.135 2.132 2.137 . 0 0 "[ . 1 . 2]" 1
667 1 7 THR HB 1 69 THR HA 2.210 . 3.210 2.858 2.456 3.188 . 0 0 "[ . 1 . 2]" 1
668 1 8 LEU HA 1 8 LEU HB3 2.940 . 4.440 2.753 2.309 2.875 . 0 0 "[ . 1 . 2]" 1
669 1 8 LEU HA 1 8 LEU HB2 2.510 . 4.510 2.769 2.537 2.852 . 0 0 "[ . 1 . 2]" 1
670 1 8 LEU HA 1 8 LEU QD 2.080 . 4.580 2.845 2.550 3.356 . 0 0 "[ . 1 . 2]" 1
671 1 8 LEU HA 1 9 PRO QD 2.520 . 4.520 2.088 1.985 2.262 . 0 0 "[ . 1 . 2]" 1
672 1 8 LEU HA 1 70 LEU HB3 3.500 . 5.000 4.594 2.671 5.056 0.056 7 0 "[ . 1 . 2]" 1
673 1 8 LEU HA 1 70 LEU MD1 3.500 . 5.000 3.269 2.694 5.031 0.031 5 0 "[ . 1 . 2]" 1
674 1 9 PRO HA 1 9 PRO HB3 2.500 . 4.000 2.282 2.263 2.317 . 0 0 "[ . 1 . 2]" 1
675 1 10 ASP HA 1 10 ASP HB3 2.500 . 3.500 2.670 2.528 3.004 . 0 0 "[ . 1 . 2]" 1
676 1 10 ASP HA 1 10 ASP HB2 2.500 . 3.500 2.918 2.595 3.018 . 0 0 "[ . 1 . 2]" 1
677 1 12 LYS HA 1 12 LYS HB2 2.460 . 3.460 2.529 2.491 2.601 . 0 0 "[ . 1 . 2]" 1
678 1 12 LYS HA 1 12 LYS QD 4.330 . 5.330 4.246 4.197 4.259 . 0 0 "[ . 1 . 2]" 1
679 1 12 LYS HA 1 12 LYS HG3 2.540 . 4.540 3.827 3.799 3.894 . 0 0 "[ . 1 . 2]" 1
680 1 13 THR HA 1 13 THR MG 2.540 . 3.040 2.259 2.227 2.286 . 0 0 "[ . 1 . 2]" 1
681 1 13 THR HA 1 13 THR HB 2.490 . 3.990 2.553 2.532 2.575 . 0 0 "[ . 1 . 2]" 1
682 1 13 THR HB 1 13 THR MG 2.470 . 2.970 2.136 2.134 2.137 . 0 0 "[ . 1 . 2]" 1
683 1 14 LEU HA 1 14 LEU HB3 2.260 . 3.260 2.884 2.528 3.005 . 0 0 "[ . 1 . 2]" 1
684 1 14 LEU HA 1 14 LEU MD1 2.140 . 3.640 3.382 1.992 3.675 0.035 12 0 "[ . 1 . 2]" 1
685 1 6 ILE HB 1 14 LEU HB3 4.720 . 6.500 2.920 2.305 4.303 . 0 0 "[ . 1 . 2]" 1
686 1 6 ILE HB 1 14 LEU HB2 3.060 . 3.560 3.139 2.343 3.506 . 0 0 "[ . 1 . 2]" 1
687 1 14 LEU HA 1 14 LEU MD2 4.440 . 6.500 3.077 2.563 3.835 . 0 0 "[ . 1 . 2]" 1
688 1 14 LEU MD2 1 35 LEU QD 3.450 . 5.950 3.929 2.756 4.789 . 0 0 "[ . 1 . 2]" 1
689 1 14 LEU MD1 1 34 ARG QB 4.320 . 5.320 3.625 3.061 5.305 . 0 0 "[ . 1 . 2]" 1
690 1 14 LEU MD1 1 34 ARG HD3 4.250 . 5.250 5.024 4.501 5.279 0.029 17 0 "[ . 1 . 2]" 1
691 1 14 LEU MD1 1 34 ARG HD2 5.920 . 6.500 5.955 4.538 6.483 . 0 0 "[ . 1 . 2]" 1
692 1 15 THR HA 1 15 THR MG 2.520 . 3.020 2.181 2.128 2.217 . 0 0 "[ . 1 . 2]" 1
693 1 15 THR HB 1 15 THR MG 2.470 . 2.970 2.134 2.129 2.135 . 0 0 "[ . 1 . 2]" 1
694 1 3 THR HA 1 15 THR MG 4.520 . 5.520 3.901 3.707 4.291 . 0 0 "[ . 1 . 2]" 1
695 1 3 THR MG 1 15 THR MG 3.130 . 3.630 2.719 2.417 3.350 . 0 0 "[ . 1 . 2]" 1
696 1 16 LEU HA 1 16 LEU MD2 2.050 . 4.550 3.829 3.335 3.874 . 0 0 "[ . 1 . 2]" 1
697 1 16 LEU HA 1 16 LEU HB3 2.940 . 3.440 3.006 2.995 3.014 . 0 0 "[ . 1 . 2]" 1
698 1 16 LEU HA 1 16 LEU HB2 2.580 . 3.580 2.571 2.533 2.620 . 0 0 "[ . 1 . 2]" 1
699 1 16 LEU HA 1 16 LEU MD1 4.460 . 6.500 2.378 2.296 3.354 . 0 0 "[ . 1 . 2]" 1
700 1 16 LEU HB3 1 16 LEU MD1 2.540 . 3.340 3.132 2.790 3.160 . 0 0 "[ . 1 . 2]" 1
701 1 16 LEU MD1 1 30 GLU HB3 4.650 . 6.150 2.714 2.337 3.184 . 0 0 "[ . 1 . 2]" 1
702 1 16 LEU MD1 1 30 GLU HG3 2.700 . 4.700 4.433 3.851 4.718 0.018 2 0 "[ . 1 . 2]" 1
703 1 16 LEU MD1 1 30 GLU HG2 2.150 . 3.650 3.676 3.621 3.708 0.058 9 0 "[ . 1 . 2]" 1
704 1 16 LEU MD1 1 31 ILE MG 5.340 . 6.500 4.783 4.304 5.207 . 0 0 "[ . 1 . 2]" 1
705 1 16 LEU MD1 1 34 ARG HD3 4.730 . 5.730 3.765 3.006 5.752 0.022 6 0 "[ . 1 . 2]" 1
706 1 16 LEU MD1 1 34 ARG HD2 5.550 . 6.500 4.829 4.261 5.814 . 0 0 "[ . 1 . 2]" 1
707 1 16 LEU HB2 1 16 LEU MD2 2.540 . 3.040 2.623 2.578 3.047 0.007 16 0 "[ . 1 . 2]" 1
708 1 16 LEU MD2 1 30 GLU HB3 5.710 . 6.500 2.411 2.251 2.742 . 0 0 "[ . 1 . 2]" 1
709 1 16 LEU MD2 1 30 GLU HB2 5.260 . 6.500 3.086 2.687 3.592 . 0 0 "[ . 1 . 2]" 1
710 1 16 LEU MD2 1 30 GLU HG3 3.320 . 4.320 4.265 4.105 4.318 . 0 0 "[ . 1 . 2]" 1
711 1 16 LEU MD2 1 31 ILE HA 4.550 . 5.550 4.013 3.667 4.823 . 0 0 "[ . 1 . 2]" 1
712 1 17 THR HA 1 17 THR MG 2.510 . 3.010 2.308 2.196 3.184 0.174 19 0 "[ . 1 . 2]" 1
713 1 17 THR HB 1 17 THR MG 2.470 . 2.970 2.134 2.124 2.136 . 0 0 "[ . 1 . 2]" 1
714 1 18 VAL HA 1 18 VAL MG1 2.550 . 3.050 2.256 2.229 2.325 . 0 0 "[ . 1 . 2]" 1
715 1 18 VAL HB 1 22 PHE HB3 5.870 . 6.500 4.634 3.500 5.638 . 0 0 "[ . 1 . 2]" 1
716 1 18 VAL HB 1 57 LEU MD1 4.810 . 6.310 3.722 3.298 4.001 . 0 0 "[ . 1 . 2]" 1
717 1 18 VAL HB 1 18 VAL MG1 2.470 . 2.970 2.120 2.113 2.127 . 0 0 "[ . 1 . 2]" 1
718 1 18 VAL MG1 1 22 PHE QD 2.650 . 5.150 4.008 2.791 5.081 . 0 0 "[ . 1 . 2]" 1
719 1 18 VAL MG1 1 27 LEU MD1 2.450 . 2.950 2.039 1.974 2.250 . 0 0 "[ . 1 . 2]" 1
720 1 18 VAL MG1 1 57 LEU MD2 4.400 . 6.500 4.351 3.322 5.285 . 0 0 "[ . 1 . 2]" 1
721 1 3 THR HA 1 18 VAL MG2 4.180 . 4.680 3.736 2.978 4.308 . 0 0 "[ . 1 . 2]" 1
722 1 4 ILE MG 1 18 VAL MG2 4.470 . 6.500 2.421 2.016 3.024 . 0 0 "[ . 1 . 2]" 1
723 1 18 VAL HA 1 18 VAL MG2 2.510 . 4.510 3.177 3.164 3.193 . 0 0 "[ . 1 . 2]" 1
724 1 18 VAL HB 1 18 VAL MG2 2.420 . 2.920 2.125 2.114 2.129 . 0 0 "[ . 1 . 2]" 1
725 1 19 THR HA 1 19 THR HB 2.450 . 2.950 2.562 2.551 2.586 . 0 0 "[ . 1 . 2]" 1
726 1 19 THR HA 1 19 THR MG 2.530 . 3.030 2.280 2.266 2.299 . 0 0 "[ . 1 . 2]" 1
727 1 19 THR HA 1 20 PRO QD 2.470 . 3.470 1.987 1.911 2.200 . 0 0 "[ . 1 . 2]" 1
728 1 19 THR HB 1 19 THR MG 2.470 . 2.970 2.133 2.131 2.136 . 0 0 "[ . 1 . 2]" 1
729 1 19 THR HB 1 20 PRO QD 1.970 . 4.470 2.110 1.907 2.257 . 0 0 "[ . 1 . 2]" 1
730 1 19 THR MG 1 22 PHE QD 4.920 . 6.500 4.011 3.637 4.225 . 0 0 "[ . 1 . 2]" 1
731 1 20 PRO HA 1 20 PRO HB3 2.750 . 3.250 2.276 2.263 2.300 . 0 0 "[ . 1 . 2]" 1
732 1 20 PRO HA 1 20 PRO HG2 4.040 . 4.540 3.998 3.861 4.048 . 0 0 "[ . 1 . 2]" 1
733 1 20 PRO HA 1 20 PRO HB2 2.300 . 3.300 2.912 2.717 2.962 . 0 0 "[ . 1 . 2]" 1
734 1 20 PRO HB3 1 58 ALA MB 2.780 . 4.780 2.974 2.573 3.597 . 0 0 "[ . 1 . 2]" 1
735 1 20 PRO HA 1 20 PRO HG3 4.040 . 4.540 3.265 3.045 4.018 . 0 0 "[ . 1 . 2]" 1
736 1 20 PRO HB3 1 20 PRO HG2 2.660 . 3.160 2.717 2.657 2.986 . 0 0 "[ . 1 . 2]" 1
737 1 21 GLU HA 1 21 GLU HG3 2.580 . 3.580 2.501 2.385 3.454 . 0 0 "[ . 1 . 2]" 1
738 1 21 GLU HA 1 56 THR HB 4.720 . 6.020 5.760 5.537 5.987 . 0 0 "[ . 1 . 2]" 1
739 1 21 GLU HA 1 21 GLU HB2 2.510 . 5.010 2.666 2.656 2.720 . 0 0 "[ . 1 . 2]" 1
740 1 21 GLU HB2 1 21 GLU HG3 2.540 . 3.540 2.429 2.253 2.455 . 0 0 "[ . 1 . 2]" 1
741 1 21 GLU HA 1 21 GLU HG2 2.580 . 3.580 2.711 2.129 2.784 . 0 0 "[ . 1 . 2]" 1
742 1 22 PHE HA 1 22 PHE HB2 2.510 . 4.010 2.902 2.864 2.950 . 0 0 "[ . 1 . 2]" 1
743 1 23 THR HA 1 23 THR HB 2.410 . 3.210 2.560 2.540 2.580 . 0 0 "[ . 1 . 2]" 1
744 1 23 THR HA 1 23 THR MG 2.580 . 3.080 2.295 2.266 2.309 . 0 0 "[ . 1 . 2]" 1
745 1 23 THR HA 1 56 THR HA 1.850 . 2.850 2.733 2.446 2.860 0.010 12 0 "[ . 1 . 2]" 1
746 1 23 THR HA 1 56 THR HB 3.320 . 4.120 3.870 3.730 3.996 . 0 0 "[ . 1 . 2]" 1
747 1 23 THR HB 1 23 THR MG 2.470 . 2.970 2.131 2.130 2.133 . 0 0 "[ . 1 . 2]" 1
748 1 23 THR HB 1 56 THR HA 3.070 . 4.070 3.837 3.623 3.988 . 0 0 "[ . 1 . 2]" 1
749 1 24 VAL HA 1 24 VAL MG1 2.620 . 3.120 2.356 2.326 2.408 . 0 0 "[ . 1 . 2]" 1
750 1 24 VAL HA 1 24 VAL MG2 2.460 . 2.960 2.460 2.438 2.473 . 0 0 "[ . 1 . 2]" 1
751 1 24 VAL HA 1 27 LEU HB3 3.430 . 3.930 3.068 3.001 3.178 . 0 0 "[ . 1 . 2]" 1
752 1 24 VAL HA 1 27 LEU HB2 3.190 . 3.690 3.676 3.537 3.728 0.038 1 0 "[ . 1 . 2]" 1
753 1 24 VAL HA 1 27 LEU MD2 5.480 . 6.500 4.039 3.739 4.372 . 0 0 "[ . 1 . 2]" 1
754 1 24 VAL HB 1 24 VAL MG1 2.470 . 2.970 2.130 2.126 2.132 . 0 0 "[ . 1 . 2]" 1
755 1 24 VAL HB 1 24 VAL MG2 2.420 . 2.920 2.129 2.127 2.130 . 0 0 "[ . 1 . 2]" 1
756 1 24 VAL HB 1 53 PRO HA 2.030 . 3.030 2.108 2.022 2.179 . 0 0 "[ . 1 . 2]" 1
757 1 24 VAL MG1 1 57 LEU HA 5.890 . 6.500 4.895 4.621 5.081 . 0 0 "[ . 1 . 2]" 1
758 1 24 VAL MG1 1 60 TYR QD 5.570 . 6.500 5.315 5.064 5.525 . 0 0 "[ . 1 . 2]" 1
759 1 24 VAL MG1 1 60 TYR QE 4.660 . 6.500 4.871 4.431 5.252 . 0 0 "[ . 1 . 2]" 1
760 1 24 VAL MG1 1 24 VAL MG2 2.470 . 2.970 2.088 2.082 2.093 . 0 0 "[ . 1 . 2]" 1
761 1 24 VAL MG2 1 51 LEU HA 3.720 . 5.220 4.404 3.943 4.899 . 0 0 "[ . 1 . 2]" 1
762 1 24 VAL MG2 1 51 LEU QD 2.960 . 3.960 2.631 2.235 2.955 . 0 0 "[ . 1 . 2]" 1
763 1 24 VAL MG2 1 53 PRO HA 4.060 . 6.500 3.700 3.640 3.793 . 0 0 "[ . 1 . 2]" 1
764 1 25 LYS HA 1 25 LYS HB3 2.460 . 3.460 2.985 2.980 2.994 . 0 0 "[ . 1 . 2]" 1
765 1 25 LYS HA 1 25 LYS HD3 4.240 . 4.740 4.573 4.559 4.590 . 0 0 "[ . 1 . 2]" 1
766 1 25 LYS HA 1 25 LYS HG3 3.230 . 3.730 2.407 2.390 2.424 . 0 0 "[ . 1 . 2]" 1
767 1 25 LYS HA 1 25 LYS HG2 2.530 . 3.530 2.832 2.794 2.896 . 0 0 "[ . 1 . 2]" 1
768 1 25 LYS HA 1 28 ALA MB 2.380 . 3.380 2.705 2.624 2.840 . 0 0 "[ . 1 . 2]" 1
769 1 25 LYS HA 1 29 GLU HB3 5.700 . 6.500 5.090 4.706 6.528 0.028 8 0 "[ . 1 . 2]" 1
770 1 25 LYS HB3 1 25 LYS HG2 2.520 . 5.020 2.427 2.415 2.435 . 0 0 "[ . 1 . 2]" 1
771 1 25 LYS HB3 1 53 PRO HB3 2.260 . 4.760 4.492 4.168 4.761 0.001 4 0 "[ . 1 . 2]" 1
772 1 25 LYS HB3 1 25 LYS HD3 2.380 . 3.380 2.502 2.487 2.518 . 0 0 "[ . 1 . 2]" 1
773 1 25 LYS HD3 1 25 LYS QE 2.340 . 4.840 2.333 2.167 2.416 . 0 0 "[ . 1 . 2]" 1
774 1 25 LYS HD3 1 53 PRO HB3 2.850 . 5.350 4.903 4.490 5.310 . 0 0 "[ . 1 . 2]" 1
775 1 25 LYS HB2 1 25 LYS HG2 2.410 . 4.910 3.010 3.008 3.011 . 0 0 "[ . 1 . 2]" 1
776 1 25 LYS HD3 1 25 LYS HG2 2.510 . 3.510 2.452 2.446 2.459 . 0 0 "[ . 1 . 2]" 1
777 1 26 GLU HA 1 26 GLU HB3 2.430 . 3.430 2.951 2.868 2.967 . 0 0 "[ . 1 . 2]" 1
778 1 26 GLU HA 1 29 GLU HB3 2.720 . 3.520 3.515 3.500 3.546 0.026 17 0 "[ . 1 . 2]" 1
779 1 26 GLU HA 1 26 GLU HG3 3.200 . 3.700 2.215 2.164 2.275 . 0 0 "[ . 1 . 2]" 1
780 1 26 GLU HA 1 26 GLU HG2 2.510 . 3.510 3.048 2.866 3.525 0.015 9 0 "[ . 1 . 2]" 1
781 1 26 GLU HB3 1 26 GLU HG2 2.390 . 3.390 2.313 2.238 2.357 . 0 0 "[ . 1 . 2]" 1
782 1 26 GLU HB2 1 26 GLU HG3 2.530 . 3.530 2.636 2.535 2.969 . 0 0 "[ . 1 . 2]" 1
783 1 26 GLU HB2 1 26 GLU HG2 2.530 . 3.530 2.940 2.641 3.000 . 0 0 "[ . 1 . 2]" 1
784 1 22 PHE QD 1 27 LEU HA 4.620 . 6.020 2.881 2.465 5.276 . 0 0 "[ . 1 . 2]" 1
785 1 27 LEU HA 1 27 LEU HB3 2.460 . 3.460 3.007 3.002 3.013 . 0 0 "[ . 1 . 2]" 1
786 1 27 LEU HA 1 27 LEU MD1 4.290 . 6.500 2.869 2.255 3.501 . 0 0 "[ . 1 . 2]" 1
787 1 27 LEU HB3 1 27 LEU MD1 2.550 . 4.050 2.924 2.667 3.155 . 0 0 "[ . 1 . 2]" 1
788 1 27 LEU HB2 1 27 LEU MD1 2.510 . 3.010 2.186 2.150 2.233 . 0 0 "[ . 1 . 2]" 1
789 1 22 PHE QD 1 27 LEU HG 4.530 2.500 6.530 4.535 4.092 6.384 . 0 0 "[ . 1 . 2]" 1
790 1 27 LEU HA 1 27 LEU HG 2.380 . 4.880 2.526 2.348 2.715 . 0 0 "[ . 1 . 2]" 1
791 1 27 LEU HB3 1 27 LEU HG 2.450 . 3.450 2.795 2.618 2.976 . 0 0 "[ . 1 . 2]" 1
792 1 27 LEU HG 1 30 GLU HB3 5.480 . 6.500 4.828 4.509 5.097 . 0 0 "[ . 1 . 2]" 1
793 1 28 ALA HA 1 28 ALA MB 2.420 . 2.920 2.124 2.120 2.130 . 0 0 "[ . 1 . 2]" 1
794 1 28 ALA HA 1 31 ILE HB 4.270 . 5.270 4.295 4.088 4.517 . 0 0 "[ . 1 . 2]" 1
795 1 28 ALA MB 1 39 PRO HB2 3.300 . 4.300 3.436 2.473 4.228 . 0 0 "[ . 1 . 2]" 1
796 1 28 ALA MB 1 44 LEU QD 1.980 . 3.480 2.500 2.321 2.927 . 0 0 "[ . 1 . 2]" 1
797 1 29 GLU HA 1 29 GLU HB2 2.560 . 3.060 2.392 2.322 2.880 . 0 0 "[ . 1 . 2]" 1
798 1 29 GLU HA 1 29 GLU HG2 2.670 . 4.670 3.675 2.410 4.206 . 0 0 "[ . 1 . 2]" 1
799 1 29 GLU HA 1 32 ALA MB 2.420 . 3.420 2.531 2.315 2.752 . 0 0 "[ . 1 . 2]" 1
800 1 29 GLU HB2 1 29 GLU QG 2.490 . 4.990 2.325 2.290 2.504 . 0 0 "[ . 1 . 2]" 1
801 1 29 GLU HB3 1 29 GLU HG2 2.450 . 2.950 2.462 2.223 2.509 . 0 0 "[ . 1 . 2]" 1
802 1 29 GLU HB2 1 29 GLU HG2 2.490 . 3.490 2.977 2.719 3.008 . 0 0 "[ . 1 . 2]" 1
803 1 30 GLU HA 1 30 GLU HB3 2.410 . 2.910 2.823 2.743 2.889 . 0 0 "[ . 1 . 2]" 1
804 1 30 GLU HA 1 33 ARG HB2 4.710 . 6.500 3.296 3.000 3.590 . 0 0 "[ . 1 . 2]" 1
805 1 30 GLU HB3 1 30 GLU QG 2.610 . 5.110 2.324 2.156 2.432 . 0 0 "[ . 1 . 2]" 1
806 1 30 GLU HB2 1 30 GLU QG 2.460 . 4.960 2.316 2.248 2.391 . 0 0 "[ . 1 . 2]" 1
807 1 16 LEU MD2 1 30 GLU HG2 3.130 . 5.630 3.863 3.096 4.272 . 0 0 "[ . 1 . 2]" 1
808 1 30 GLU HA 1 30 GLU HG3 3.860 . 4.860 2.606 2.315 2.787 . 0 0 "[ . 1 . 2]" 1
809 1 30 GLU HA 1 30 GLU HG2 3.000 . 5.500 2.715 2.257 3.585 . 0 0 "[ . 1 . 2]" 1
810 1 30 GLU HB3 1 30 GLU HG3 2.610 . 3.610 2.850 2.473 3.010 . 0 0 "[ . 1 . 2]" 1
811 1 30 GLU HB3 1 30 GLU HG2 2.610 . 3.610 2.472 2.346 2.575 . 0 0 "[ . 1 . 2]" 1
812 1 31 ILE HA 1 31 ILE HB 2.490 . 4.990 2.492 2.472 2.506 . 0 0 "[ . 1 . 2]" 1
813 1 31 ILE HA 1 34 ARG QB 2.560 . 5.060 3.226 2.894 3.390 . 0 0 "[ . 1 . 2]" 1
814 1 31 ILE HB 1 31 ILE MD 2.500 . 3.000 2.221 2.190 2.245 . 0 0 "[ . 1 . 2]" 1
815 1 6 ILE HG13 1 31 ILE MD 3.170 . 5.170 3.882 2.278 4.515 . 0 0 "[ . 1 . 2]" 1
816 1 6 ILE HG12 1 31 ILE MD 4.780 . 6.500 3.061 2.473 3.806 . 0 0 "[ . 1 . 2]" 1
817 1 31 ILE HA 1 31 ILE MD 2.010 . 4.510 2.359 2.275 2.441 . 0 0 "[ . 1 . 2]" 1
818 1 31 ILE MD 1 34 ARG QB 2.570 . 4.570 3.675 3.407 3.843 . 0 0 "[ . 1 . 2]" 1
819 1 31 ILE MD 1 35 LEU HB3 5.040 . 6.500 6.307 5.885 6.509 0.009 1 0 "[ . 1 . 2]" 1
820 1 31 ILE MD 1 35 LEU HB2 5.670 . 6.500 5.389 5.100 5.802 . 0 0 "[ . 1 . 2]" 1
821 1 28 ALA HA 1 31 ILE MG 2.130 . 4.630 2.249 2.194 2.315 . 0 0 "[ . 1 . 2]" 1
822 1 31 ILE HB 1 31 ILE MG 2.470 . 2.970 2.124 2.121 2.127 . 0 0 "[ . 1 . 2]" 1
823 1 31 ILE MG 1 34 ARG QB 5.610 . 6.500 5.217 5.000 5.342 . 0 0 "[ . 1 . 2]" 1
824 1 32 ALA HA 1 32 ALA MB 2.420 . 2.920 2.125 2.121 2.127 . 0 0 "[ . 1 . 2]" 1
825 1 32 ALA MB 1 33 ARG HA 4.470 2.500 5.470 3.862 3.810 3.887 . 0 0 "[ . 1 . 2]" 1
826 1 32 ALA MB 1 38 SER HA 3.790 . 4.290 3.245 2.866 3.705 . 0 0 "[ . 1 . 2]" 1
827 1 32 ALA MB 1 39 PRO HA 2.580 . 3.580 3.079 2.549 3.540 . 0 0 "[ . 1 . 2]" 1
828 1 32 ALA MB 1 39 PRO QD 2.130 . 3.630 2.890 2.432 3.366 . 0 0 "[ . 1 . 2]" 1
829 1 32 ALA MB 1 39 PRO HG3 3.620 . 4.620 2.900 2.081 3.771 . 0 0 "[ . 1 . 2]" 1
830 1 32 ALA MB 1 39 PRO HG2 3.620 . 4.620 4.206 3.473 4.600 . 0 0 "[ . 1 . 2]" 1
831 1 33 ARG HA 1 33 ARG HB3 2.970 . 3.770 2.957 2.873 2.971 . 0 0 "[ . 1 . 2]" 1
832 1 33 ARG HA 1 33 ARG HB2 2.480 . 3.280 2.682 2.655 2.809 . 0 0 "[ . 1 . 2]" 1
833 1 33 ARG HA 1 33 ARG HG3 2.360 . 3.360 2.379 2.346 2.423 . 0 0 "[ . 1 . 2]" 1
834 1 33 ARG HA 1 33 ARG HG2 2.360 . 3.360 2.752 2.552 2.787 . 0 0 "[ . 1 . 2]" 1
835 1 33 ARG HB2 1 33 ARG QD 2.470 . 3.970 2.457 2.322 2.798 . 0 0 "[ . 1 . 2]" 1
836 1 33 ARG HB3 1 33 ARG QD 3.170 . 3.970 2.510 2.381 2.829 . 0 0 "[ . 1 . 2]" 1
837 1 33 ARG QD 1 33 ARG HG3 2.370 . 3.370 2.316 2.163 2.413 . 0 0 "[ . 1 . 2]" 1
838 1 33 ARG QD 1 33 ARG HG2 2.370 . 3.370 2.314 2.164 2.421 . 0 0 "[ . 1 . 2]" 1
839 1 33 ARG HB3 1 33 ARG HG2 2.410 . 4.910 2.424 2.408 2.438 . 0 0 "[ . 1 . 2]" 1
840 1 33 ARG HB2 1 33 ARG HG2 2.510 . 4.010 3.011 3.008 3.014 . 0 0 "[ . 1 . 2]" 1
841 1 34 ARG HA 1 34 ARG HD3 3.190 . 4.190 4.096 3.645 4.219 0.029 11 0 "[ . 1 . 2]" 1
842 1 34 ARG HA 1 34 ARG HD2 2.120 . 4.620 3.190 2.909 4.281 . 0 0 "[ . 1 . 2]" 1
843 1 34 ARG HA 1 34 ARG QG 3.050 . 3.550 2.184 2.148 2.215 . 0 0 "[ . 1 . 2]" 1
844 1 35 LEU HA 1 35 LEU MD1 4.410 . 6.500 3.360 2.093 3.888 . 0 0 "[ . 1 . 2]" 1
845 1 35 LEU HB3 1 35 LEU QD 2.570 . 5.070 2.142 2.095 2.301 . 0 0 "[ . 1 . 2]" 1
846 1 35 LEU HB2 1 35 LEU QD 2.490 . 4.990 2.146 2.092 2.322 . 0 0 "[ . 1 . 2]" 1
847 1 35 LEU HB3 1 35 LEU MD1 2.570 . 3.370 2.806 2.277 3.149 . 0 0 "[ . 1 . 2]" 1
848 1 35 LEU HB2 1 35 LEU MD1 2.490 . 3.290 2.300 2.188 3.205 . 0 0 "[ . 1 . 2]" 1
849 1 35 LEU MD1 1 35 LEU HG 2.490 . 3.290 2.125 2.120 2.128 . 0 0 "[ . 1 . 2]" 1
850 1 37 LEU HA 1 37 LEU HB3 2.940 . 3.940 2.371 2.306 2.383 . 0 0 "[ . 1 . 2]" 1
851 1 37 LEU HA 1 37 LEU HB2 2.560 . 3.560 2.938 2.513 3.008 . 0 0 "[ . 1 . 2]" 1
852 1 37 LEU HA 1 37 LEU MD1 4.440 . 6.500 3.978 3.804 4.094 . 0 0 "[ . 1 . 2]" 1
853 1 37 LEU HA 1 37 LEU MD2 2.070 . 4.570 2.626 2.410 3.943 . 0 0 "[ . 1 . 2]" 1
854 1 37 LEU HA 1 37 LEU HG 3.070 . 4.070 3.096 2.982 3.695 . 0 0 "[ . 1 . 2]" 1
855 1 37 LEU HB3 1 37 LEU HG 2.440 . 4.940 2.969 2.697 2.989 . 0 0 "[ . 1 . 2]" 1
856 1 37 LEU HB3 1 37 LEU MD1 2.560 . 3.360 2.646 2.602 3.105 . 0 0 "[ . 1 . 2]" 1
857 1 37 LEU HB2 1 37 LEU MD1 2.500 . 3.300 2.198 2.149 2.209 . 0 0 "[ . 1 . 2]" 1
858 1 37 LEU MD1 1 37 LEU HG 2.490 . 3.290 2.125 2.123 2.128 . 0 0 "[ . 1 . 2]" 1
859 1 37 LEU MD1 1 41 ASP HB3 6.050 . 6.500 5.229 3.288 6.337 . 0 0 "[ . 1 . 2]" 1
860 1 37 LEU MD2 1 37 LEU HG 2.420 . 2.920 2.127 2.126 2.128 . 0 0 "[ . 1 . 2]" 1
861 1 38 SER HA 1 38 SER QB 2.360 . 2.860 2.335 2.182 2.435 . 0 0 "[ . 1 . 2]" 1
862 1 38 SER HA 1 39 PRO HD3 2.030 . 3.030 1.967 1.854 2.339 . 0 0 "[ . 1 . 2]" 1
863 1 38 SER HA 1 39 PRO HG2 4.500 . 5.500 4.449 4.324 4.518 . 0 0 "[ . 1 . 2]" 1
864 1 39 PRO HA 1 39 PRO HB3 2.740 . 3.240 2.275 2.265 2.293 . 0 0 "[ . 1 . 2]" 1
865 1 39 PRO HA 1 39 PRO HG3 4.040 . 4.540 3.334 3.044 4.016 . 0 0 "[ . 1 . 2]" 1
866 1 39 PRO HA 1 42 ILE HB 2.500 . 3.500 3.301 2.853 3.520 0.020 15 0 "[ . 1 . 2]" 1
867 1 39 PRO HA 1 42 ILE HG13 4.560 . 6.500 2.940 2.393 3.207 . 0 0 "[ . 1 . 2]" 1
868 1 32 ALA MB 1 39 PRO HB2 2.410 . 5.910 4.623 4.070 5.179 . 0 0 "[ . 1 . 2]" 1
869 1 39 PRO HB3 1 39 PRO QD 3.190 . 4.690 3.388 2.846 3.525 . 0 0 "[ . 1 . 2]" 1
870 1 39 PRO HB2 1 39 PRO QD 2.930 . 3.930 3.046 2.882 3.547 . 0 0 "[ . 1 . 2]" 1
871 1 32 ALA MB 1 39 PRO HD3 3.840 . 5.340 2.944 2.461 3.447 . 0 0 "[ . 1 . 2]" 1
872 1 32 ALA MB 1 39 PRO HD2 2.130 . 5.130 4.229 3.755 4.714 . 0 0 "[ . 1 . 2]" 1
873 1 38 SER HA 1 39 PRO HD2 2.530 . 3.030 2.694 2.156 2.959 . 0 0 "[ . 1 . 2]" 1
874 1 39 PRO HB2 1 39 PRO HD3 3.900 . 4.900 3.917 3.887 3.933 . 0 0 "[ . 1 . 2]" 1
875 1 39 PRO HD3 1 39 PRO QG 2.060 . 4.560 2.184 2.170 2.235 . 0 0 "[ . 1 . 2]" 1
876 1 39 PRO HA 1 39 PRO HG2 4.040 . 5.040 3.971 3.842 4.027 . 0 0 "[ . 1 . 2]" 1
877 1 39 PRO QD 1 39 PRO HG3 2.060 . 4.560 2.216 2.177 2.232 . 0 0 "[ . 1 . 2]" 1
878 1 39 PRO QD 1 39 PRO HG2 2.060 . 4.560 2.193 2.180 2.238 . 0 0 "[ . 1 . 2]" 1
879 1 40 GLU HA 1 40 GLU QG 2.590 . 3.590 2.435 2.319 3.332 . 0 0 "[ . 1 . 2]" 1
880 1 40 GLU HA 1 40 GLU HB2 2.490 . 3.490 2.957 2.519 3.009 . 0 0 "[ . 1 . 2]" 1
881 1 40 GLU HB2 1 40 GLU QG 2.550 . 3.050 2.342 2.331 2.353 . 0 0 "[ . 1 . 2]" 1
882 1 40 GLU HB3 1 40 GLU QG 2.370 . 2.870 2.341 2.329 2.350 . 0 0 "[ . 1 . 2]" 1
883 1 41 ASP HA 1 41 ASP HB2 2.360 . 3.360 3.014 2.989 3.022 . 0 0 "[ . 1 . 2]" 1
884 1 41 ASP HA 1 73 LYS HB3 4.330 . 5.830 5.728 5.370 5.851 0.021 4 0 "[ . 1 . 2]" 1
885 1 41 ASP HA 1 73 LYS HB2 5.910 . 6.500 4.825 3.908 6.165 . 0 0 "[ . 1 . 2]" 1
886 1 42 ILE HA 1 42 ILE HG13 2.540 . 3.540 3.296 3.268 3.334 . 0 0 "[ . 1 . 2]" 1
887 1 42 ILE HA 1 42 ILE HG12 2.830 . 3.830 2.955 2.904 2.990 . 0 0 "[ . 1 . 2]" 1
888 1 42 ILE HA 1 42 ILE MG 2.610 . 3.410 2.188 2.173 2.207 . 0 0 "[ . 1 . 2]" 1
889 1 42 ILE HA 1 72 ILE HA 1.980 . 4.480 2.974 2.699 3.243 . 0 0 "[ . 1 . 2]" 1
890 1 42 ILE HB 1 42 ILE HG13 3.000 . 3.800 2.541 2.528 2.554 . 0 0 "[ . 1 . 2]" 1
891 1 42 ILE HB 1 42 ILE HG12 2.480 . 4.980 3.020 3.017 3.022 . 0 0 "[ . 1 . 2]" 1
892 1 42 ILE HB 1 42 ILE MG 2.470 . 3.270 2.125 2.123 2.127 . 0 0 "[ . 1 . 2]" 1
893 1 28 ALA HA 1 42 ILE MD 4.250 . 5.250 4.510 3.907 4.859 . 0 0 "[ . 1 . 2]" 1
894 1 32 ALA HA 1 42 ILE MD 2.600 . 3.600 2.703 2.227 3.032 . 0 0 "[ . 1 . 2]" 1
895 1 39 PRO HA 1 42 ILE MD 2.210 . 3.210 2.613 2.217 2.985 . 0 0 "[ . 1 . 2]" 1
896 1 42 ILE HA 1 42 ILE MD 4.480 . 6.500 4.020 4.001 4.031 . 0 0 "[ . 1 . 2]" 1
897 1 42 ILE HB 1 42 ILE MD 2.480 . 3.280 2.320 2.279 2.384 . 0 0 "[ . 1 . 2]" 1
898 1 42 ILE MD 1 42 ILE HG12 2.460 . 2.960 2.118 2.112 2.121 . 0 0 "[ . 1 . 2]" 1
899 1 42 ILE HG13 1 42 ILE MG 2.460 . 3.860 3.194 3.188 3.200 . 0 0 "[ . 1 . 2]" 1
900 1 28 ALA HA 1 42 ILE MG 3.450 . 5.450 5.321 4.888 5.452 0.002 11 0 "[ . 1 . 2]" 1
901 1 39 PRO HA 1 42 ILE MG 4.320 2.500 5.320 4.634 4.273 4.836 . 0 0 "[ . 1 . 2]" 1
902 1 43 LYS HA 1 43 LYS HB2 2.480 . 3.180 2.710 2.478 2.783 . 0 0 "[ . 1 . 2]" 1
903 1 43 LYS HA 1 43 LYS QD 4.300 . 5.300 3.867 2.353 4.256 . 0 0 "[ . 1 . 2]" 1
904 1 43 LYS HA 1 43 LYS QG 2.510 . 5.010 2.277 2.196 3.346 . 0 0 "[ . 1 . 2]" 1
905 1 43 LYS HB3 1 43 LYS QG 2.440 . 4.940 2.302 2.150 2.361 . 0 0 "[ . 1 . 2]" 1
906 1 43 LYS HB2 1 43 LYS HE2 4.670 . 6.500 4.575 4.280 4.614 . 0 0 "[ . 1 . 2]" 1
907 1 43 LYS QD 1 43 LYS HE2 2.430 . 4.930 2.348 2.335 2.411 . 0 0 "[ . 1 . 2]" 1
908 1 44 LEU HA 1 44 LEU HB3 2.930 . 3.730 2.520 2.490 2.544 . 0 0 "[ . 1 . 2]" 1
909 1 44 LEU HA 1 44 LEU HB2 2.610 . 3.410 3.016 3.013 3.018 . 0 0 "[ . 1 . 2]" 1
910 1 44 LEU HA 1 44 LEU QD 3.350 . 3.850 2.758 1.926 3.022 . 0 0 "[ . 1 . 2]" 1
911 1 44 LEU HA 1 44 LEU HG 2.370 . 4.870 2.540 2.353 3.648 . 0 0 "[ . 1 . 2]" 1
912 1 44 LEU HA 1 70 LEU HA 2.680 . 3.680 2.805 2.555 3.152 . 0 0 "[ . 1 . 2]" 1
913 1 44 LEU HB3 1 44 LEU QD 2.360 . 3.360 2.136 2.093 2.431 . 0 0 "[ . 1 . 2]" 1
914 1 44 LEU HB2 1 44 LEU QD 2.350 . 3.350 2.112 2.088 2.167 . 0 0 "[ . 1 . 2]" 1
915 1 44 LEU QD 1 70 LEU HA 5.330 . 6.500 4.059 3.047 4.661 . 0 0 "[ . 1 . 2]" 1
916 1 44 LEU QD 1 51 LEU QD 3.130 . 5.630 2.818 2.670 3.448 . 0 0 "[ . 1 . 2]" 1
917 1 45 THR HA 1 45 THR MG 2.520 . 3.220 2.203 2.154 2.226 . 0 0 "[ . 1 . 2]" 1
918 1 45 THR HA 1 50 THR HA 2.960 . 3.460 2.389 2.274 2.544 . 0 0 "[ . 1 . 2]" 1
919 1 45 THR HA 1 51 LEU HG 5.490 . 6.500 5.270 4.239 5.676 . 0 0 "[ . 1 . 2]" 1
920 1 45 THR HB 1 45 THR MG 2.470 . 2.970 2.134 2.132 2.136 . 0 0 "[ . 1 . 2]" 1
921 1 45 THR HB 1 69 THR HB 2.170 . 4.670 3.885 2.593 4.359 . 0 0 "[ . 1 . 2]" 1
922 1 45 THR MG 1 48 GLY HA3 3.280 . 4.780 4.166 3.933 4.516 . 0 0 "[ . 1 . 2]" 1
923 1 45 THR MG 1 50 THR HA 3.820 . 6.320 2.863 2.686 3.023 . 0 0 "[ . 1 . 2]" 1
924 1 45 THR MG 1 50 THR HB 6.260 . 6.500 4.459 4.243 4.630 . 0 0 "[ . 1 . 2]" 1
925 1 46 HIS HA 1 68 ILE HA 3.590 . 5.090 4.389 3.823 4.809 . 0 0 "[ . 1 . 2]" 1
926 1 46 HIS HA 1 46 HIS HB3 2.460 . 4.960 2.986 2.943 3.005 . 0 0 "[ . 1 . 2]" 1
927 1 46 HIS HB3 1 51 LEU QD 2.370 . 6.500 2.965 2.562 3.649 . 0 0 "[ . 1 . 2]" 1
928 1 46 HIS HB2 1 51 LEU QD 1.980 . 6.500 2.395 2.162 2.919 . 0 0 "[ . 1 . 2]" 1
929 1 46 HIS HB3 1 51 LEU HG 4.530 . 5.930 4.667 3.616 5.206 . 0 0 "[ . 1 . 2]" 1
930 1 46 HIS HB2 1 51 LEU HG 4.010 . 5.510 4.553 3.516 5.130 . 0 0 "[ . 1 . 2]" 1
931 1 47 ASN HA 1 47 ASN HB2 2.270 . 3.270 2.805 2.434 3.024 . 0 0 "[ . 1 . 2]" 1
932 1 49 LYS HA 1 49 LYS QB 2.470 . 3.170 2.414 2.175 2.433 . 0 0 "[ . 1 . 2]" 1
933 1 49 LYS HA 1 49 LYS QG 2.570 . 3.970 2.424 2.341 3.330 . 0 0 "[ . 1 . 2]" 1
934 1 49 LYS QE 1 49 LYS QG 2.500 . 5.000 2.198 2.134 2.251 . 0 0 "[ . 1 . 2]" 1
935 1 50 THR HA 1 50 THR MG 2.530 . 3.230 2.245 2.219 2.260 . 0 0 "[ . 1 . 2]" 1
936 1 50 THR HB 1 50 THR MG 2.470 . 3.170 2.135 2.131 2.137 . 0 0 "[ . 1 . 2]" 1
937 1 43 LYS HB3 1 50 THR MG 5.140 . 6.500 3.440 3.246 4.923 . 0 0 "[ . 1 . 2]" 1
938 1 43 LYS HB2 1 50 THR MG 3.480 . 4.480 4.423 3.679 4.491 0.011 5 0 "[ . 1 . 2]" 1
939 1 43 LYS QD 1 50 THR MG 3.730 . 4.430 2.325 2.143 3.889 . 0 0 "[ . 1 . 2]" 1
940 1 43 LYS HE3 1 50 THR MG 5.190 . 6.500 4.114 3.753 4.560 . 0 0 "[ . 1 . 2]" 1
941 1 51 LEU HA 1 51 LEU HB3 2.890 . 3.890 2.545 2.514 2.581 . 0 0 "[ . 1 . 2]" 1
942 1 51 LEU HA 1 51 LEU HB2 2.710 . 3.710 3.008 2.999 3.015 . 0 0 "[ . 1 . 2]" 1
943 1 51 LEU HA 1 51 LEU QD 2.040 . 6.500 2.825 2.214 2.993 . 0 0 "[ . 1 . 2]" 1
944 1 51 LEU HA 1 51 LEU HG 2.750 . 3.250 2.409 2.296 2.769 . 0 0 "[ . 1 . 2]" 1
945 1 51 LEU HA 1 60 TYR QE 3.270 . 5.770 3.384 3.136 3.859 . 0 0 "[ . 1 . 2]" 1
946 1 44 LEU HB3 1 51 LEU QD 3.040 . 4.540 2.309 2.097 2.669 . 0 0 "[ . 1 . 2]" 1
947 1 44 LEU HB2 1 51 LEU QD 2.050 . 4.550 2.504 2.318 2.835 . 0 0 "[ . 1 . 2]" 1
948 1 46 HIS QB 1 51 LEU QD 1.980 . 6.500 2.296 2.054 2.808 . 0 0 "[ . 1 . 2]" 1
949 1 51 LEU HB3 1 51 LEU QD 2.420 . 4.920 2.137 2.101 2.156 . 0 0 "[ . 1 . 2]" 1
950 1 49 LYS QB 1 51 LEU HG 5.780 . 6.500 4.969 4.491 5.608 . 0 0 "[ . 1 . 2]" 1
951 1 51 LEU HB2 1 51 LEU HG 2.370 . 3.870 2.904 2.613 2.985 . 0 0 "[ . 1 . 2]" 1
952 1 51 LEU HG 1 60 TYR HB3 3.160 . 5.660 4.595 4.268 5.374 . 0 0 "[ . 1 . 2]" 1
953 1 51 LEU HG 1 60 TYR HB2 3.690 2.500 5.690 4.792 4.178 5.690 . 3 0 "[ . 1 . 2]" 1
954 1 51 LEU HG 1 60 TYR QD 2.830 . 5.330 3.932 3.307 4.971 . 0 0 "[ . 1 . 2]" 1
955 1 51 LEU HG 1 60 TYR QE 3.720 2.500 5.120 3.889 2.981 5.128 0.008 15 0 "[ . 1 . 2]" 1
956 1 51 LEU HG 1 62 ILE HG13 4.750 . 6.250 6.038 5.560 6.273 0.023 15 0 "[ . 1 . 2]" 1
957 1 52 ASP HA 1 52 ASP HB3 2.560 . 5.060 2.904 2.743 2.991 . 0 0 "[ . 1 . 2]" 1
958 1 52 ASP HA 1 52 ASP HB2 2.940 . 4.440 2.750 2.635 2.927 . 0 0 "[ . 1 . 2]" 1
959 1 52 ASP HA 1 53 PRO QD 1.980 . 4.480 1.838 1.810 1.859 . 0 0 "[ . 1 . 2]" 1
960 1 24 VAL MG1 1 53 PRO HA 2.260 . 4.760 2.802 2.298 3.083 . 0 0 "[ . 1 . 2]" 1
961 1 53 PRO HA 1 53 PRO HB3 2.780 . 3.780 2.272 2.269 2.275 . 0 0 "[ . 1 . 2]" 1
962 1 53 PRO HA 1 53 PRO HG2 4.010 . 5.010 3.997 3.985 4.005 . 0 0 "[ . 1 . 2]" 1
963 1 25 LYS HA 1 53 PRO HB3 3.630 . 5.130 2.972 2.522 3.242 . 0 0 "[ . 1 . 2]" 1
964 1 53 PRO HB3 1 53 PRO QD 2.210 . 6.500 3.520 3.518 3.523 . 0 0 "[ . 1 . 2]" 1
965 1 52 ASP HA 1 53 PRO HG3 4.520 2.500 6.520 4.016 3.965 4.048 . 0 0 "[ . 1 . 2]" 1
966 1 52 ASP HA 1 53 PRO HG2 4.520 2.500 6.520 4.440 4.397 4.492 . 0 0 "[ . 1 . 2]" 1
967 1 53 PRO QD 1 53 PRO HG3 2.240 . 4.740 2.223 2.220 2.226 . 0 0 "[ . 1 . 2]" 1
968 1 53 PRO QD 1 53 PRO HG2 2.240 . 6.500 2.181 2.179 2.182 . 0 0 "[ . 1 . 2]" 1
969 1 54 SER HA 1 54 SER QB 2.380 . 2.880 2.333 2.185 2.405 . 0 0 "[ . 1 . 2]" 1
970 1 55 LEU HA 1 55 LEU MD1 4.400 . 6.500 3.773 3.180 3.852 . 0 0 "[ . 1 . 2]" 1
971 1 55 LEU HA 1 55 LEU HB3 2.940 . 4.440 2.561 2.532 2.607 . 0 0 "[ . 1 . 2]" 1
972 1 55 LEU HA 1 55 LEU HB2 2.550 . 4.050 2.983 2.962 2.993 . 0 0 "[ . 1 . 2]" 1
973 1 55 LEU HA 1 55 LEU MD2 2.060 . 3.360 2.350 2.186 3.411 0.051 7 0 "[ . 1 . 2]" 1
974 1 55 LEU HA 1 56 THR MG 3.630 . 5.130 3.384 3.325 3.467 . 0 0 "[ . 1 . 2]" 1
975 1 55 LEU HB3 1 60 TYR QE 2.420 . 5.220 2.735 2.308 3.142 . 0 0 "[ . 1 . 2]" 1
976 1 55 LEU HB2 1 60 TYR QE 3.280 . 6.080 2.439 2.346 2.661 . 0 0 "[ . 1 . 2]" 1
977 1 52 ASP HB3 1 55 LEU MD1 3.170 . 4.170 2.419 2.025 3.157 . 0 0 "[ . 1 . 2]" 1
978 1 52 ASP HB2 1 55 LEU MD1 2.270 . 4.270 2.397 2.201 2.775 . 0 0 "[ . 1 . 2]" 1
979 1 55 LEU HB3 1 55 LEU MD1 2.580 . 3.580 2.624 2.554 3.084 . 0 0 "[ . 1 . 2]" 1
980 1 55 LEU MD1 1 55 LEU HG 2.490 . 3.490 2.124 2.118 2.126 . 0 0 "[ . 1 . 2]" 1
981 1 55 LEU MD1 1 59 GLU HG3 4.720 . 6.500 5.613 4.661 6.538 0.038 7 0 "[ . 1 . 2]" 1
982 1 55 LEU MD1 1 60 TYR QE 2.830 . 5.330 2.437 2.237 3.164 . 0 0 "[ . 1 . 2]" 1
983 1 55 LEU MD2 1 55 LEU HG 2.420 . 3.220 2.126 2.123 2.128 . 0 0 "[ . 1 . 2]" 1
984 1 55 LEU MD2 1 59 GLU HB2 4.330 . 5.630 3.795 3.200 4.108 . 0 0 "[ . 1 . 2]" 1
985 1 55 LEU HA 1 55 LEU HG 3.110 . 5.610 2.615 2.204 2.723 . 0 0 "[ . 1 . 2]" 1
986 1 56 THR HA 1 56 THR HB 2.430 . 3.230 2.479 2.464 2.501 . 0 0 "[ . 1 . 2]" 1
987 1 56 THR HA 1 56 THR MG 2.540 . 3.040 2.383 2.350 2.401 . 0 0 "[ . 1 . 2]" 1
988 1 56 THR HB 1 56 THR MG 2.470 . 2.970 2.129 2.128 2.132 . 0 0 "[ . 1 . 2]" 1
989 1 57 LEU HA 1 57 LEU HB2 2.610 . 3.610 3.012 3.007 3.014 . 0 0 "[ . 1 . 2]" 1
990 1 57 LEU HA 1 57 LEU MD2 1.970 . 2.970 2.320 2.253 2.400 . 0 0 "[ . 1 . 2]" 1
991 1 57 LEU HA 1 62 ILE MD 2.770 . 3.770 2.472 2.259 3.302 . 0 0 "[ . 1 . 2]" 1
992 1 24 VAL HA 1 57 LEU MD2 2.380 . 4.880 2.803 2.621 3.007 . 0 0 "[ . 1 . 2]" 1
993 1 57 LEU HB2 1 57 LEU MD2 2.570 . 3.570 3.152 3.133 3.165 . 0 0 "[ . 1 . 2]" 1
994 1 57 LEU MD2 1 62 ILE MD 2.500 . 3.500 2.319 2.059 3.068 . 0 0 "[ . 1 . 2]" 1
995 1 18 VAL QG 1 57 LEU MD1 2.630 . 4.130 3.084 2.551 3.629 . 0 0 "[ . 1 . 2]" 1
996 1 22 PHE HB2 1 57 LEU MD1 3.350 . 5.150 3.221 2.967 3.382 . 0 0 "[ . 1 . 2]" 1
997 1 57 LEU HB3 1 57 LEU MD1 2.570 . 3.570 2.618 2.583 2.667 . 0 0 "[ . 1 . 2]" 1
998 1 57 LEU MD1 1 57 LEU MD2 2.500 . 3.300 2.085 2.082 2.088 . 0 0 "[ . 1 . 2]" 1
999 1 58 ALA HA 1 58 ALA MB 2.430 . 2.930 2.124 2.123 2.126 . 0 0 "[ . 1 . 2]" 1
1000 1 20 PRO HA 1 58 ALA MB 4.190 . 5.690 3.113 2.532 3.700 . 0 0 "[ . 1 . 2]" 1
1001 1 20 PRO HB2 1 58 ALA MB 3.990 . 4.990 3.772 2.873 4.094 . 0 0 "[ . 1 . 2]" 1
1002 1 56 THR HB 1 58 ALA MB 3.730 . 5.230 3.532 3.438 3.640 . 0 0 "[ . 1 . 2]" 1
1003 1 59 GLU HA 1 59 GLU HB2 2.500 . 4.000 2.696 2.664 2.838 . 0 0 "[ . 1 . 2]" 1
1004 1 59 GLU HA 1 59 GLU HG3 3.110 . 4.110 2.869 2.416 3.493 . 0 0 "[ . 1 . 2]" 1
1005 1 59 GLU HA 1 59 GLU HG2 3.110 . 4.610 2.713 2.143 3.641 . 0 0 "[ . 1 . 2]" 1
1006 1 59 GLU HB2 1 59 GLU HG2 2.370 . 3.370 2.752 2.564 3.010 . 0 0 "[ . 1 . 2]" 1
1007 1 60 TYR HA 1 60 TYR HB2 2.470 . 3.970 2.975 2.965 2.996 . 0 0 "[ . 1 . 2]" 1
1008 1 60 TYR HA 1 60 TYR QD 2.840 . 3.840 2.905 2.877 2.931 . 0 0 "[ . 1 . 2]" 1
1009 1 60 TYR HA 1 60 TYR QE 4.850 . 6.350 4.485 4.458 4.532 . 0 0 "[ . 1 . 2]" 1
1010 1 62 ILE HA 1 62 ILE MD 3.250 . 4.750 3.955 3.938 3.976 . 0 0 "[ . 1 . 2]" 1
1011 1 62 ILE HA 1 62 ILE HG13 3.560 . 4.560 2.831 2.785 2.890 . 0 0 "[ . 1 . 2]" 1
1012 1 62 ILE HA 1 62 ILE MG 2.630 . 3.630 2.285 2.266 2.305 . 0 0 "[ . 1 . 2]" 1
1013 1 57 LEU MD2 1 62 ILE HB 2.240 . 4.740 3.700 3.357 4.219 . 0 0 "[ . 1 . 2]" 1
1014 1 62 ILE HB 1 62 ILE MD 2.420 . 3.420 2.226 2.201 2.250 . 0 0 "[ . 1 . 2]" 1
1015 1 62 ILE HB 1 62 ILE MG 2.470 . 3.470 2.128 2.126 2.130 . 0 0 "[ . 1 . 2]" 1
1016 1 60 TYR HB3 1 62 ILE MD 2.350 . 4.850 2.631 2.248 2.906 . 0 0 "[ . 1 . 2]" 1
1017 1 60 TYR HB2 1 62 ILE MD 2.960 . 4.460 2.211 2.147 2.319 . 0 0 "[ . 1 . 2]" 1
1018 1 60 TYR QD 1 62 ILE MD 3.630 . 6.130 3.424 3.361 3.573 . 0 0 "[ . 1 . 2]" 1
1019 1 60 TYR HB3 1 62 ILE HG13 4.630 2.500 6.630 2.792 2.698 3.118 . 0 0 "[ . 1 . 2]" 1
1020 1 60 TYR HB3 1 62 ILE HG12 4.570 . 6.600 3.615 3.398 4.062 . 0 0 "[ . 1 . 2]" 1
1021 1 60 TYR HB2 1 62 ILE HG13 5.400 . 6.500 2.971 2.779 3.199 . 0 0 "[ . 1 . 2]" 1
1022 1 60 TYR HB2 1 62 ILE HG12 4.950 2.500 6.450 4.068 3.813 4.456 . 0 0 "[ . 1 . 2]" 1
1023 1 62 ILE HA 1 62 ILE HG12 2.270 . 5.770 3.040 3.001 3.101 . 0 0 "[ . 1 . 2]" 1
1024 1 62 ILE HB 1 62 ILE HG12 2.980 . 5.780 2.959 2.942 2.969 . 0 0 "[ . 1 . 2]" 1
1025 1 62 ILE MD 1 62 ILE HG13 2.460 . 3.960 2.119 2.117 2.121 . 0 0 "[ . 1 . 2]" 1
1026 1 62 ILE HG12 1 62 ILE MG 2.730 . 5.230 2.177 2.167 2.192 . 0 0 "[ . 1 . 2]" 1
1027 1 62 ILE HG13 1 62 ILE MG 2.310 . 3.510 3.105 3.082 3.122 . 0 0 "[ . 1 . 2]" 1
1028 1 62 ILE MG 1 66 SER HB3 3.730 . 4.930 4.126 3.309 4.884 . 0 0 "[ . 1 . 2]" 1
1029 1 62 ILE MG 1 66 SER HB2 4.730 . 6.500 3.838 3.318 4.437 . 0 0 "[ . 1 . 2]" 1
1030 1 63 THR HA 1 63 THR HB 2.480 . 3.280 2.549 2.395 2.561 . 0 0 "[ . 1 . 2]" 1
1031 1 63 THR HA 1 63 THR MG 2.530 . 3.330 2.312 2.255 3.213 . 0 0 "[ . 1 . 2]" 1
1032 1 63 THR HA 1 64 PRO HD3 2.500 . 3.300 1.960 1.909 2.323 . 0 0 "[ . 1 . 2]" 1
1033 1 63 THR HA 1 64 PRO HD2 2.670 . 3.470 3.010 2.333 3.080 . 0 0 "[ . 1 . 2]" 1
1034 1 63 THR HB 1 63 THR MG 2.470 . 3.270 2.135 2.132 2.138 . 0 0 "[ . 1 . 2]" 1
1035 1 63 THR HB 1 64 PRO HD3 1.940 . 4.440 3.033 2.907 3.919 . 0 0 "[ . 1 . 2]" 1
1036 1 63 THR HB 1 64 PRO HD2 3.490 . 3.990 2.407 2.214 3.935 . 0 0 "[ . 1 . 2]" 1
1037 1 63 THR MG 1 64 PRO HD2 4.460 . 5.860 3.355 2.834 4.150 . 0 0 "[ . 1 . 2]" 1
1038 1 64 PRO HA 1 64 PRO HB3 2.760 . 3.560 2.270 2.264 2.299 . 0 0 "[ . 1 . 2]" 1
1039 1 64 PRO HA 1 64 PRO HB2 2.300 . 4.100 2.911 2.717 2.937 . 0 0 "[ . 1 . 2]" 1
1040 1 64 PRO HA 1 64 PRO QG 4.030 2.500 5.530 3.131 3.061 3.503 . 0 0 "[ . 1 . 2]" 1
1041 1 64 PRO HA 1 64 PRO HG2 4.030 . 5.530 4.021 3.854 4.044 . 0 0 "[ . 1 . 2]" 1
1042 1 64 PRO HB3 1 64 PRO HG2 2.670 . 3.670 2.712 2.685 2.988 . 0 0 "[ . 1 . 2]" 1
1043 1 64 PRO HB2 1 64 PRO HD2 2.930 . 6.130 3.084 3.012 4.055 . 0 0 "[ . 1 . 2]" 1
1044 1 64 PRO HD2 1 64 PRO HG3 2.400 . 4.900 2.970 2.695 2.988 . 0 0 "[ . 1 . 2]" 1
1045 1 64 PRO HD2 1 64 PRO HG2 2.400 . 5.400 2.315 2.306 2.321 . 0 0 "[ . 1 . 2]" 1
1046 1 66 SER HA 1 66 SER HB2 2.440 . 4.440 2.774 2.466 3.031 . 0 0 "[ . 1 . 2]" 1
1047 1 67 THR HB 1 67 THR MG 2.470 . 3.170 2.135 2.132 2.137 . 0 0 "[ . 1 . 2]" 1
1048 1 5 ASN HB3 1 67 THR MG 2.430 . 4.430 3.518 2.865 3.931 . 0 0 "[ . 1 . 2]" 1
1049 1 5 ASN HB2 1 67 THR MG 3.350 . 4.850 4.046 2.647 4.804 . 0 0 "[ . 1 . 2]" 1
1050 1 67 THR HA 1 67 THR MG 2.530 . 3.230 2.239 2.215 2.258 . 0 0 "[ . 1 . 2]" 1
1051 1 68 ILE HA 1 68 ILE HB 2.500 . 4.000 3.013 2.998 3.025 . 0 0 "[ . 1 . 2]" 1
1052 1 68 ILE HA 1 68 ILE HG13 3.740 . 5.240 2.810 2.380 3.891 . 0 0 "[ . 1 . 2]" 1
1053 1 68 ILE HA 1 68 ILE HG12 3.650 . 5.150 3.270 2.963 3.467 . 0 0 "[ . 1 . 2]" 1
1054 1 68 ILE HA 1 68 ILE MG 2.510 . 3.510 2.301 2.242 2.391 . 0 0 "[ . 1 . 2]" 1
1055 1 6 ILE HA 1 68 ILE HB 4.880 2.500 6.280 2.815 2.532 3.082 . 0 0 "[ . 1 . 2]" 1
1056 1 68 ILE HB 1 68 ILE MD 2.500 . 3.500 2.387 2.210 3.243 . 0 0 "[ . 1 . 2]" 1
1057 1 68 ILE HB 1 68 ILE MG 2.470 . 3.470 2.129 2.122 2.132 . 0 0 "[ . 1 . 2]" 1
1058 1 62 ILE MD 1 68 ILE MD 5.660 . 6.500 5.150 4.290 5.714 . 0 0 "[ . 1 . 2]" 1
1059 1 68 ILE MD 1 68 ILE HG13 2.460 . 3.460 2.119 2.117 2.121 . 0 0 "[ . 1 . 2]" 1
1060 1 68 ILE MD 1 68 ILE HG12 2.460 . 3.860 2.116 2.115 2.118 . 0 0 "[ . 1 . 2]" 1
1061 1 44 LEU HB2 1 68 ILE MG 5.480 . 6.500 4.559 4.260 5.118 . 0 0 "[ . 1 . 2]" 1
1062 1 68 ILE MD 1 68 ILE MG 2.060 . 3.060 2.632 1.960 3.018 . 0 0 "[ . 1 . 2]" 1
1063 1 68 ILE HG13 1 68 ILE MG 2.480 . 3.680 2.848 2.362 3.136 . 0 0 "[ . 1 . 2]" 1
1064 1 7 THR MG 1 69 THR HA 4.060 . 5.560 4.441 4.098 4.709 . 0 0 "[ . 1 . 2]" 1
1065 1 69 THR HA 1 69 THR MG 2.520 . 3.020 2.204 2.149 2.248 . 0 0 "[ . 1 . 2]" 1
1066 1 7 THR HB 1 69 THR HB 4.800 . 6.500 4.704 4.165 6.019 . 0 0 "[ . 1 . 2]" 1
1067 1 69 THR HB 1 69 THR MG 2.470 . 2.970 2.135 2.132 2.138 . 0 0 "[ . 1 . 2]" 1
1068 1 70 LEU HA 1 70 LEU HB3 2.840 . 4.840 2.552 2.435 2.989 . 0 0 "[ . 1 . 2]" 1
1069 1 70 LEU HA 1 70 LEU HB2 2.820 . 3.820 2.466 2.407 2.750 . 0 0 "[ . 1 . 2]" 1
1070 1 70 LEU HA 1 70 LEU MD1 2.520 . 4.020 3.662 2.632 3.811 . 0 0 "[ . 1 . 2]" 1
1071 1 70 LEU HA 1 70 LEU HG 2.380 . 5.180 3.350 2.234 3.633 . 0 0 "[ . 1 . 2]" 1
1072 1 70 LEU HB2 1 70 LEU HG 2.570 . 3.070 2.886 2.667 2.958 . 0 0 "[ . 1 . 2]" 1
1073 1 31 ILE MD 1 70 LEU MD1 5.640 . 6.500 5.230 3.297 6.257 . 0 0 "[ . 1 . 2]" 1
1074 1 69 THR HA 1 70 LEU MD1 4.100 2.500 6.100 5.486 4.828 5.691 . 0 0 "[ . 1 . 2]" 1
1075 1 70 LEU HB3 1 70 LEU MD1 2.400 . 3.400 2.991 2.664 3.094 . 0 0 "[ . 1 . 2]" 1
1076 1 70 LEU MD1 1 70 LEU HG 2.490 . 3.290 2.125 2.123 2.129 . 0 0 "[ . 1 . 2]" 1
1077 1 6 ILE HB 1 70 LEU MD2 4.570 . 6.070 4.173 3.072 6.093 0.023 17 0 "[ . 1 . 2]" 1
1078 1 8 LEU HA 1 70 LEU MD2 5.700 . 6.500 2.755 2.174 4.232 . 0 0 "[ . 1 . 2]" 1
1079 1 8 LEU HG 1 70 LEU MD2 6.360 . 6.500 3.004 2.201 4.665 . 0 0 "[ . 1 . 2]" 1
1080 1 70 LEU HB3 1 70 LEU MD2 2.700 . 3.200 2.124 2.094 2.168 . 0 0 "[ . 1 . 2]" 1
1081 1 70 LEU HB2 1 70 LEU MD2 2.390 . 3.890 2.822 2.680 3.113 . 0 0 "[ . 1 . 2]" 1
1082 1 70 LEU MD1 1 70 LEU MD2 2.500 . 3.000 2.068 2.048 2.084 . 0 0 "[ . 1 . 2]" 1
1083 1 71 GLU HA 1 71 GLU HB3 2.420 . 3.420 2.656 2.376 2.989 . 0 0 "[ . 1 . 2]" 1
1084 1 71 GLU HA 1 71 GLU QG 2.530 . 3.530 2.429 2.166 3.338 . 0 0 "[ . 1 . 2]" 1
1085 1 72 ILE HA 1 72 ILE HB 2.430 . 3.430 2.986 2.506 3.020 . 0 0 "[ . 1 . 2]" 1
1086 1 72 ILE HA 1 72 ILE MD 4.080 . 5.080 3.672 2.363 3.984 . 0 0 "[ . 1 . 2]" 1
1087 1 72 ILE HA 1 72 ILE QG 2.360 . 4.860 2.547 2.463 2.642 . 0 0 "[ . 1 . 2]" 1
1088 1 72 ILE HB 1 72 ILE QG 2.520 . 5.020 2.517 2.481 2.525 . 0 0 "[ . 1 . 2]" 1
1089 1 72 ILE HB 1 72 ILE MG 2.470 . 2.970 2.127 2.123 2.129 . 0 0 "[ . 1 . 2]" 1
1090 1 42 ILE HB 1 72 ILE MD 4.810 . 6.500 6.194 4.265 6.520 0.020 15 0 "[ . 1 . 2]" 1
1091 1 72 ILE HB 1 72 ILE MD 2.450 . 2.950 2.220 2.180 2.256 . 0 0 "[ . 1 . 2]" 1
1092 1 41 ASP HB3 1 72 ILE MG 5.910 . 6.500 2.792 2.157 5.554 . 0 0 "[ . 1 . 2]" 1
1093 1 41 ASP HB2 1 72 ILE MG 5.640 . 6.500 3.744 3.102 6.490 . 0 0 "[ . 1 . 2]" 1
1094 1 72 ILE QG 1 72 ILE MG 2.420 . 3.420 2.085 2.068 2.137 . 0 0 "[ . 1 . 2]" 1
1095 1 72 ILE MG 1 74 LYS HA 6.400 . 6.500 4.455 4.296 4.659 . 0 0 "[ . 1 . 2]" 1
1096 1 73 LYS HA 1 73 LYS HB2 2.430 . 3.130 2.843 2.511 3.013 . 0 0 "[ . 1 . 2]" 1
1097 1 73 LYS HA 1 73 LYS QG 3.090 . 4.090 2.703 2.326 3.431 . 0 0 "[ . 1 . 2]" 1
1098 1 73 LYS HB2 1 73 LYS QG 2.500 . 3.200 2.322 2.141 2.347 . 0 0 "[ . 1 . 2]" 1
1099 1 74 LYS HA 1 74 LYS QB 2.410 . 3.410 2.445 2.426 2.488 . 0 0 "[ . 1 . 2]" 1
1100 1 74 LYS HA 1 74 LYS QG 3.020 . 4.220 2.328 2.261 2.361 . 0 0 "[ . 1 . 2]" 1
1101 1 75 LYS HA 1 75 LYS QB 2.490 . 2.990 2.433 2.427 2.453 . 0 0 "[ . 1 . 2]" 1
1102 1 75 LYS HA 1 75 LYS QG 2.540 . 5.040 2.348 2.225 2.562 . 0 0 "[ . 1 . 2]" 1
1103 1 75 LYS HA 1 75 LYS QD 4.370 . 5.370 3.859 2.369 3.987 . 0 0 "[ . 1 . 2]" 1
1104 1 78 LEU HA 1 78 LEU QB 2.570 . 3.770 2.417 2.392 2.511 . 0 0 "[ . 1 . 2]" 1
1105 1 78 LEU HA 1 78 LEU MD2 2.050 . 3.250 2.706 2.024 3.256 0.006 14 0 "[ . 1 . 2]" 1
1106 1 78 LEU HA 1 78 LEU HB3 2.950 . 4.950 2.596 2.509 2.994 . 0 0 "[ . 1 . 2]" 1
1107 1 78 LEU HA 1 78 LEU HB2 2.570 . 5.070 2.961 2.623 3.019 . 0 0 "[ . 1 . 2]" 1
1108 1 78 LEU QB 1 78 LEU MD2 2.630 . 4.630 2.143 2.071 2.277 . 0 0 "[ . 1 . 2]" 1
1109 1 79 GLU HA 1 79 GLU QB 2.460 . 4.460 2.441 2.422 2.484 . 0 0 "[ . 1 . 2]" 1
1110 1 79 GLU HA 1 79 GLU HG3 3.140 . 5.140 2.787 2.229 3.726 . 0 0 "[ . 1 . 2]" 1
1111 1 79 GLU HA 1 79 GLU HG2 2.500 . 5.000 2.685 2.415 3.513 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 117
_Distance_constraint_stats_list.Viol_total 141.789
_Distance_constraint_stats_list.Viol_max 0.169
_Distance_constraint_stats_list.Viol_rms 0.0279
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.0606
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 2 ASP 0.462 0.082 2 0 "[ . 1 . 2]"
1 4 ILE 0.792 0.121 11 0 "[ . 1 . 2]"
1 5 ASN 0.902 0.133 5 0 "[ . 1 . 2]"
1 6 ILE 0.008 0.008 1 0 "[ . 1 . 2]"
1 7 THR 1.432 0.123 6 0 "[ . 1 . 2]"
1 8 LEU 0.834 0.144 13 0 "[ . 1 . 2]"
1 12 LYS 0.834 0.144 13 0 "[ . 1 . 2]"
1 14 LEU 0.008 0.008 1 0 "[ . 1 . 2]"
1 16 LEU 0.792 0.121 11 0 "[ . 1 . 2]"
1 18 VAL 0.462 0.082 2 0 "[ . 1 . 2]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.150 0.055 11 0 "[ . 1 . 2]"
1 27 LEU 2.509 0.169 7 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.150 0.055 11 0 "[ . 1 . 2]"
1 31 ILE 2.509 0.169 7 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.902 0.133 5 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 1.432 0.123 6 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 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 2 ASP O 1 18 VAL H 2.000 . 2.400 2.401 2.240 2.482 0.082 2 0 "[ . 1 . 2]" 2
2 1 2 ASP O 1 18 VAL N 3.000 2.600 3.400 3.334 3.142 3.392 . 0 0 "[ . 1 . 2]" 2
3 1 4 ILE O 1 16 LEU H 2.000 . 2.400 2.324 2.047 2.521 0.121 11 0 "[ . 1 . 2]" 2
4 1 4 ILE O 1 16 LEU N 3.000 2.600 3.400 3.261 2.991 3.452 0.052 11 0 "[ . 1 . 2]" 2
5 1 4 ILE H 1 16 LEU O 2.000 . 2.400 2.086 1.899 2.370 . 0 0 "[ . 1 . 2]" 2
6 1 4 ILE N 1 16 LEU O 3.000 2.600 3.400 3.002 2.856 3.280 . 0 0 "[ . 1 . 2]" 2
7 1 6 ILE O 1 14 LEU H 2.000 . 2.400 2.245 2.062 2.390 . 0 0 "[ . 1 . 2]" 2
8 1 6 ILE O 1 14 LEU N 3.000 2.600 3.400 3.070 2.934 3.299 . 0 0 "[ . 1 . 2]" 2
9 1 6 ILE H 1 14 LEU O 2.000 . 2.400 2.133 1.919 2.408 0.008 1 0 "[ . 1 . 2]" 2
10 1 6 ILE N 1 14 LEU O 3.000 2.600 3.400 2.970 2.786 3.291 . 0 0 "[ . 1 . 2]" 2
11 1 8 LEU H 1 12 LYS O 2.000 . 2.400 2.300 2.063 2.544 0.144 13 0 "[ . 1 . 2]" 2
12 1 8 LEU N 1 12 LYS O 3.000 2.600 3.400 3.242 3.002 3.487 0.087 13 0 "[ . 1 . 2]" 2
13 1 5 ASN O 1 68 ILE H 2.000 . 2.400 2.399 2.168 2.533 0.133 5 0 "[ . 1 . 2]" 2
14 1 5 ASN O 1 68 ILE N 3.000 2.600 3.400 3.275 3.076 3.454 0.054 5 0 "[ . 1 . 2]" 2
15 1 7 THR O 1 70 LEU H 2.000 . 2.400 2.396 2.056 2.523 0.123 6 0 "[ . 1 . 2]" 2
16 1 7 THR O 1 70 LEU N 3.000 2.600 3.400 3.361 3.013 3.480 0.080 6 0 "[ . 1 . 2]" 2
17 1 43 LYS O 1 71 GLU H 2.000 . 2.400 2.179 1.896 2.396 . 0 0 "[ . 1 . 2]" 2
18 1 43 LYS O 1 71 GLU N 3.000 2.600 3.400 3.056 2.842 3.353 . 0 0 "[ . 1 . 2]" 2
19 1 45 THR H 1 69 THR O 2.000 . 2.400 2.267 2.029 2.400 . 0 0 "[ . 1 . 2]" 2
20 1 45 THR N 1 69 THR O 3.000 2.600 3.400 3.187 2.915 3.326 . 0 0 "[ . 1 . 2]" 2
21 1 43 LYS H 1 71 GLU O 2.000 . 2.400 2.055 1.825 2.366 . 0 0 "[ . 1 . 2]" 2
22 1 43 LYS N 1 71 GLU O 3.000 2.600 3.400 3.002 2.806 3.307 . 0 0 "[ . 1 . 2]" 2
23 1 23 THR O 1 27 LEU H 2.000 . 2.400 2.005 1.939 2.187 . 0 0 "[ . 1 . 2]" 2
24 1 23 THR O 1 27 LEU N 3.000 2.600 3.400 2.982 2.915 3.161 . 0 0 "[ . 1 . 2]" 2
25 1 24 VAL O 1 28 ALA H 2.000 . 2.400 2.250 2.151 2.298 . 0 0 "[ . 1 . 2]" 2
26 1 24 VAL O 1 28 ALA N 3.000 2.600 3.400 3.090 3.048 3.131 . 0 0 "[ . 1 . 2]" 2
27 1 25 LYS O 1 29 GLU H 2.000 . 2.400 2.266 2.199 2.340 . 0 0 "[ . 1 . 2]" 2
28 1 25 LYS O 1 29 GLU N 3.000 2.600 3.400 3.097 3.008 3.161 . 0 0 "[ . 1 . 2]" 2
29 1 26 GLU O 1 30 GLU H 2.000 . 2.400 2.386 2.256 2.455 0.055 11 0 "[ . 1 . 2]" 2
30 1 26 GLU O 1 30 GLU N 3.000 2.600 3.400 3.199 3.071 3.270 . 0 0 "[ . 1 . 2]" 2
31 1 27 LEU O 1 31 ILE H 2.000 . 2.400 2.478 2.385 2.569 0.169 7 0 "[ . 1 . 2]" 2
32 1 27 LEU O 1 31 ILE N 3.000 2.600 3.400 3.439 3.328 3.536 0.136 7 0 "[ . 1 . 2]" 2
33 1 28 ALA O 1 32 ALA H 2.000 . 2.400 2.183 2.100 2.324 . 0 0 "[ . 1 . 2]" 2
34 1 28 ALA O 1 32 ALA N 3.000 2.600 3.400 3.057 2.981 3.198 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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