NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
629065 |
6f7e   |
27078 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6f7e
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 603
_Distance_constraint_stats_list.Viol_count 454
_Distance_constraint_stats_list.Viol_total 752.230
_Distance_constraint_stats_list.Viol_max 0.645
_Distance_constraint_stats_list.Viol_rms 0.0219
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0828
_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 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.201 0.095 11 0 "[ . 1 . 2]"
1 4 SER 0.201 0.095 11 0 "[ . 1 . 2]"
1 5 CYS 0.172 0.137 7 0 "[ . 1 . 2]"
1 6 MET 0.539 0.181 7 0 "[ . 1 . 2]"
1 7 ALA 1.523 0.262 14 0 "[ . 1 . 2]"
1 8 VAL 0.327 0.111 7 0 "[ . 1 . 2]"
1 9 TYR 0.464 0.128 14 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.296 0.074 20 0 "[ . 1 . 2]"
1 12 GLU 0.437 0.131 13 0 "[ . 1 . 2]"
1 13 ASN 0.353 0.131 13 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TRP 0.004 0.004 17 0 "[ . 1 . 2]"
1 16 SER 2.242 0.181 7 0 "[ . 1 . 2]"
1 17 GLY 2.236 0.181 7 0 "[ . 1 . 2]"
1 18 GLY 0.006 0.004 1 0 "[ . 1 . 2]"
1 19 PHE 0.004 0.004 17 0 "[ . 1 . 2]"
1 20 GLN 0.596 0.086 2 0 "[ . 1 . 2]"
1 21 GLY 0.531 0.074 20 0 "[ . 1 . 2]"
1 22 SER 0.195 0.058 5 0 "[ . 1 . 2]"
1 23 VAL 0.249 0.083 11 0 "[ . 1 . 2]"
1 24 GLU 1.019 0.128 14 0 "[ . 1 . 2]"
1 25 VAL 2.909 0.645 20 2 "[ . 1 .- +]"
1 26 MET 1.324 0.547 16 1 "[ . 1 .+ 2]"
1 27 ASN 1.357 0.174 5 0 "[ . 1 . 2]"
1 28 HIS 0.212 0.066 13 0 "[ . 1 . 2]"
1 29 GLY 0.437 0.104 5 0 "[ . 1 . 2]"
1 30 THR 0.590 0.209 1 0 "[ . 1 . 2]"
1 31 GLU 0.698 0.209 1 0 "[ . 1 . 2]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.649 0.285 15 0 "[ . 1 . 2]"
1 34 ASN 0.649 0.285 15 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TRP 2.379 0.323 16 0 "[ . 1 . 2]"
1 37 ALA 0.013 0.013 13 0 "[ . 1 . 2]"
1 38 VAL 0.229 0.084 11 0 "[ . 1 . 2]"
1 39 GLN 0.298 0.091 10 0 "[ . 1 . 2]"
1 40 TRP 1.453 0.305 4 0 "[ . 1 . 2]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.708 0.132 4 0 "[ . 1 . 2]"
1 44 GLY 0.110 0.110 12 0 "[ . 1 . 2]"
1 45 GLY 0.911 0.156 10 0 "[ . 1 . 2]"
1 46 THR 1.238 0.204 7 0 "[ . 1 . 2]"
1 47 THR 1.495 0.182 5 0 "[ . 1 . 2]"
1 48 LEU 1.356 0.292 1 0 "[ . 1 . 2]"
1 49 GLY 0.776 0.171 14 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.135 0.090 4 0 "[ . 1 . 2]"
1 52 TRP 0.200 0.095 11 0 "[ . 1 . 2]"
1 53 ASN 0.095 0.095 11 0 "[ . 1 . 2]"
1 54 GLY 0.386 0.109 12 0 "[ . 1 . 2]"
1 55 SER 0.210 0.095 10 0 "[ . 1 . 2]"
1 56 LEU 0.393 0.126 15 0 "[ . 1 . 2]"
1 57 THR 1.148 0.131 1 0 "[ . 1 . 2]"
1 58 SER 0.197 0.106 2 0 "[ . 1 . 2]"
1 59 GLY 0.431 0.201 14 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 THR 0.431 0.201 14 0 "[ . 1 . 2]"
1 64 VAL 1.063 0.305 4 0 "[ . 1 . 2]"
1 65 THR 0.629 0.153 7 0 "[ . 1 . 2]"
1 66 VAL 1.416 0.153 7 0 "[ . 1 . 2]"
1 67 ARG 0.253 0.095 10 0 "[ . 1 . 2]"
1 68 ASN 0.649 0.117 16 0 "[ . 1 . 2]"
1 69 VAL 5.809 0.329 12 0 "[ . 1 . 2]"
1 70 ASP 0.386 0.109 12 0 "[ . 1 . 2]"
1 71 HIS 4.102 0.246 8 0 "[ . 1 . 2]"
1 72 ASN 1.724 0.329 12 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.972 0.174 5 0 "[ . 1 . 2]"
1 80 SER 0.159 0.061 12 0 "[ . 1 . 2]"
1 81 VAL 0.925 0.235 20 0 "[ . 1 . 2]"
1 82 THR 1.143 0.165 14 0 "[ . 1 . 2]"
1 83 PHE 2.140 0.247 11 0 "[ . 1 . 2]"
1 84 GLY 0.906 0.247 11 0 "[ . 1 . 2]"
1 85 PHE 0.010 0.010 11 0 "[ . 1 . 2]"
1 86 THR 0.423 0.171 14 0 "[ . 1 . 2]"
1 87 ALA 0.441 0.087 16 0 "[ . 1 . 2]"
1 88 THR 2.123 0.209 14 0 "[ . 1 . 2]"
1 89 SER 3.302 0.209 14 0 "[ . 1 . 2]"
1 90 THR 0.170 0.107 20 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASN 1.131 0.156 10 0 "[ . 1 . 2]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PHE 0.050 0.050 4 0 "[ . 1 . 2]"
1 95 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 VAL 0.546 0.132 4 0 "[ . 1 . 2]"
1 97 ASP 0.076 0.038 19 0 "[ . 1 . 2]"
1 98 SER 0.187 0.103 13 0 "[ . 1 . 2]"
1 99 ILE 2.077 0.283 17 0 "[ . 1 . 2]"
1 100 GLY 1.546 0.262 14 0 "[ . 1 . 2]"
1 101 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 VAL 0.088 0.056 10 0 "[ . 1 . 2]"
1 103 ALA 0.214 0.119 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR H 1 2 THR HA 2.570 . 2.970 2.491 2.157 2.873 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR H 1 2 THR MG 2.550 . 2.950 2.473 2.179 2.772 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR HA 1 3 GLY H 3.270 . 3.670 2.584 2.300 3.276 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLY H 1 4 SER H 3.210 . 3.610 2.844 2.144 3.705 0.095 11 0 "[ . 1 . 2]" 1
5 1 3 GLY QA 1 4 SER H 2.790 . 3.190 2.526 2.120 2.868 . 0 0 "[ . 1 . 2]" 1
6 1 4 SER H 1 4 SER HB2 4.000 . 4.400 3.040 2.289 3.705 . 0 0 "[ . 1 . 2]" 1
7 1 4 SER H 1 4 SER QB 3.280 . 3.680 2.632 2.205 3.038 . 0 0 "[ . 1 . 2]" 1
8 1 4 SER H 1 4 SER HB3 4.000 . 4.400 3.035 2.457 3.917 . 0 0 "[ . 1 . 2]" 1
9 1 4 SER HB2 1 5 CYS H 5.500 . 5.900 3.602 2.334 4.122 . 0 0 "[ . 1 . 2]" 1
10 1 4 SER HB3 1 5 CYS H 5.500 . 5.900 3.198 2.046 4.213 . 0 0 "[ . 1 . 2]" 1
11 1 5 CYS CB 1 101 CYS SG 3.100 . 3.500 3.040 3.018 3.063 . 0 0 "[ . 1 . 2]" 1
12 1 5 CYS HA 1 6 MET H 3.050 . 3.450 2.484 2.321 2.720 . 0 0 "[ . 1 . 2]" 1
13 1 5 CYS QB 1 6 MET H 2.810 . 3.210 2.252 1.974 2.524 . 0 0 "[ . 1 . 2]" 1
14 1 5 CYS HB2 1 6 MET H 3.240 . 3.640 2.281 1.989 2.563 . 0 0 "[ . 1 . 2]" 1
15 1 5 CYS HB3 1 6 MET H 3.240 . 3.640 3.505 3.029 3.777 0.137 7 0 "[ . 1 . 2]" 1
16 1 5 CYS SG 1 101 CYS CB 3.100 . 3.500 3.036 3.017 3.065 . 0 0 "[ . 1 . 2]" 1
17 1 5 CYS SG 1 101 CYS SG 2.100 . 2.500 2.030 2.025 2.033 . 0 0 "[ . 1 . 2]" 1
18 1 6 MET H 1 6 MET QB 3.690 . 4.090 2.623 2.488 3.210 . 0 0 "[ . 1 . 2]" 1
19 1 6 MET H 1 26 MET H 3.200 . 3.600 3.316 2.980 3.781 0.181 7 0 "[ . 1 . 2]" 1
20 1 6 MET H 1 26 MET QG 3.030 . 3.430 2.687 1.692 3.428 . 0 0 "[ . 1 . 2]" 1
21 1 6 MET HA 1 7 ALA H 2.850 . 3.250 2.343 2.225 2.472 . 0 0 "[ . 1 . 2]" 1
22 1 6 MET QB 1 7 ALA H 3.770 . 4.170 3.055 2.564 3.724 . 0 0 "[ . 1 . 2]" 1
23 1 7 ALA H 1 7 ALA MB 2.790 . 3.190 2.493 2.248 2.635 . 0 0 "[ . 1 . 2]" 1
24 1 7 ALA H 1 100 GLY QA 3.210 . 3.610 3.594 2.967 3.872 0.262 14 0 "[ . 1 . 2]" 1
25 1 7 ALA HA 1 8 VAL H 2.400 . 2.800 2.295 2.186 2.466 . 0 0 "[ . 1 . 2]" 1
26 1 7 ALA HA 1 26 MET H 3.360 . 3.760 3.312 2.995 3.569 . 0 0 "[ . 1 . 2]" 1
27 1 7 ALA MB 1 8 VAL H 3.050 . 3.450 2.660 2.310 3.056 . 0 0 "[ . 1 . 2]" 1
28 1 7 ALA MB 1 38 VAL QG 3.490 . 3.890 2.826 2.184 3.201 . 0 0 "[ . 1 . 2]" 1
29 1 8 VAL H 1 8 VAL HB 2.800 . 3.200 2.713 2.505 2.996 . 0 0 "[ . 1 . 2]" 1
30 1 8 VAL H 1 24 GLU H 3.040 . 3.440 3.034 2.820 3.354 . 0 0 "[ . 1 . 2]" 1
31 1 8 VAL H 1 24 GLU QB 3.290 . 3.690 3.394 3.041 3.801 0.111 7 0 "[ . 1 . 2]" 1
32 1 8 VAL H 1 25 VAL HA 3.330 . 3.730 3.617 3.292 3.784 0.054 5 0 "[ . 1 . 2]" 1
33 1 8 VAL HA 1 9 TYR H 2.400 . 2.800 2.292 2.199 2.347 . 0 0 "[ . 1 . 2]" 1
34 1 8 VAL HB 1 9 TYR H 5.500 . 5.900 3.984 3.541 4.218 . 0 0 "[ . 1 . 2]" 1
35 1 8 VAL HB 1 24 GLU H 3.210 . 3.610 3.367 3.141 3.680 0.070 13 0 "[ . 1 . 2]" 1
36 1 8 VAL QG 1 9 TYR H 3.650 . 4.050 2.506 2.276 2.849 . 0 0 "[ . 1 . 2]" 1
37 1 8 VAL QG 1 24 GLU H 3.800 . 4.200 3.877 3.745 4.059 . 0 0 "[ . 1 . 2]" 1
38 1 9 TYR H 1 9 TYR QB 2.850 . 3.250 2.401 2.281 2.540 . 0 0 "[ . 1 . 2]" 1
39 1 9 TYR HA 1 24 GLU H 3.250 . 3.650 3.608 3.288 3.778 0.128 14 0 "[ . 1 . 2]" 1
40 1 9 TYR QD 1 23 VAL QG 3.490 . 3.890 2.198 1.984 2.874 . 0 0 "[ . 1 . 2]" 1
41 1 9 TYR QE 1 11 VAL MG2 3.500 . 3.900 2.712 2.301 3.753 . 0 0 "[ . 1 . 2]" 1
42 1 10 SER HA 1 11 VAL H 2.820 . 3.220 2.315 2.274 2.392 . 0 0 "[ . 1 . 2]" 1
43 1 10 SER QB 1 11 VAL H 3.370 . 3.770 2.818 2.654 2.994 . 0 0 "[ . 1 . 2]" 1
44 1 10 SER HB2 1 11 VAL H 3.880 . 4.280 3.347 2.732 3.939 . 0 0 "[ . 1 . 2]" 1
45 1 10 SER HB3 1 11 VAL H 3.880 . 4.280 3.399 2.711 3.995 . 0 0 "[ . 1 . 2]" 1
46 1 11 VAL H 1 11 VAL HA 2.770 . 3.170 2.847 2.816 2.887 . 0 0 "[ . 1 . 2]" 1
47 1 11 VAL H 1 11 VAL HB 2.600 . 3.000 2.521 2.461 2.573 . 0 0 "[ . 1 . 2]" 1
48 1 11 VAL H 1 11 VAL MG2 2.990 . 3.390 2.418 2.215 2.659 . 0 0 "[ . 1 . 2]" 1
49 1 11 VAL HA 1 12 GLU H 2.570 . 2.970 2.244 2.203 2.291 . 0 0 "[ . 1 . 2]" 1
50 1 11 VAL HA 1 21 GLY QA 2.420 . 2.820 2.504 2.284 2.894 0.074 20 0 "[ . 1 . 2]" 1
51 1 11 VAL HA 1 22 SER H 3.180 . 3.580 3.462 3.218 3.638 0.058 5 0 "[ . 1 . 2]" 1
52 1 11 VAL HB 1 12 GLU H 4.350 . 4.750 4.111 3.931 4.229 . 0 0 "[ . 1 . 2]" 1
53 1 11 VAL MG1 1 12 GLU H 3.320 . 3.720 2.674 2.407 2.927 . 0 0 "[ . 1 . 2]" 1
54 1 11 VAL MG1 1 13 ASN H 3.320 . 3.720 2.784 2.589 2.991 . 0 0 "[ . 1 . 2]" 1
55 1 11 VAL MG1 1 19 PHE QD 3.500 . 3.900 2.902 2.364 3.749 . 0 0 "[ . 1 . 2]" 1
56 1 11 VAL MG1 1 20 GLN H 3.700 . 4.100 3.550 3.138 3.879 . 0 0 "[ . 1 . 2]" 1
57 1 12 GLU H 1 12 GLU HB3 3.120 . 3.520 2.461 2.264 3.605 0.085 13 0 "[ . 1 . 2]" 1
58 1 12 GLU H 1 12 GLU HG2 5.500 . 5.900 4.367 2.508 4.592 . 0 0 "[ . 1 . 2]" 1
59 1 12 GLU H 1 12 GLU HG3 5.500 . 5.900 4.354 3.412 4.528 . 0 0 "[ . 1 . 2]" 1
60 1 12 GLU H 1 13 ASN H 3.740 . 4.140 2.529 2.315 2.633 . 0 0 "[ . 1 . 2]" 1
61 1 12 GLU H 1 21 GLY QA 3.340 . 3.740 2.258 1.968 3.346 . 0 0 "[ . 1 . 2]" 1
62 1 12 GLU HA 1 13 ASN H 3.480 . 3.880 3.488 3.461 3.504 . 0 0 "[ . 1 . 2]" 1
63 1 12 GLU HB3 1 13 ASN H 3.080 . 3.480 2.341 2.091 3.384 . 0 0 "[ . 1 . 2]" 1
64 1 12 GLU QG 1 13 ASN H 3.260 . 3.660 3.267 2.959 3.727 0.067 13 0 "[ . 1 . 2]" 1
65 1 12 GLU HG2 1 13 ASN H 3.730 . 4.130 3.840 3.031 4.196 0.066 20 0 "[ . 1 . 2]" 1
66 1 12 GLU HG3 1 13 ASN H 3.730 . 4.130 3.705 3.260 4.261 0.131 13 0 "[ . 1 . 2]" 1
67 1 13 ASN H 1 13 ASN HB2 3.370 . 3.770 3.308 3.071 3.404 . 0 0 "[ . 1 . 2]" 1
68 1 13 ASN H 1 13 ASN QB 2.940 . 3.340 2.818 2.705 2.895 . 0 0 "[ . 1 . 2]" 1
69 1 13 ASN H 1 13 ASN HB3 3.370 . 3.770 3.062 2.908 3.338 . 0 0 "[ . 1 . 2]" 1
70 1 13 ASN H 1 20 GLN H 2.690 . 3.090 2.853 2.741 2.980 . 0 0 "[ . 1 . 2]" 1
71 1 13 ASN H 1 20 GLN QB 3.170 . 3.570 2.956 2.453 3.201 . 0 0 "[ . 1 . 2]" 1
72 1 13 ASN HA 1 14 SER H 2.400 . 2.800 2.421 2.353 2.513 . 0 0 "[ . 1 . 2]" 1
73 1 13 ASN QB 1 14 SER H 3.170 . 3.570 3.275 2.891 3.422 . 0 0 "[ . 1 . 2]" 1
74 1 13 ASN HB2 1 14 SER H 3.870 . 4.270 3.917 3.812 3.988 . 0 0 "[ . 1 . 2]" 1
75 1 13 ASN HB3 1 14 SER H 3.870 . 4.270 3.521 2.980 3.737 . 0 0 "[ . 1 . 2]" 1
76 1 14 SER H 1 14 SER HB2 3.600 . 4.000 3.714 3.224 3.855 . 0 0 "[ . 1 . 2]" 1
77 1 14 SER H 1 14 SER QB 3.010 . 3.410 3.038 2.632 3.193 . 0 0 "[ . 1 . 2]" 1
78 1 14 SER H 1 14 SER HB3 3.600 . 4.000 3.227 2.791 3.494 . 0 0 "[ . 1 . 2]" 1
79 1 14 SER HA 1 14 SER HB2 2.800 . 3.200 2.461 2.406 2.604 . 0 0 "[ . 1 . 2]" 1
80 1 14 SER HA 1 14 SER QB 2.440 . 2.840 2.172 2.135 2.309 . 0 0 "[ . 1 . 2]" 1
81 1 14 SER HA 1 14 SER HB3 2.800 . 3.200 2.438 2.268 2.912 . 0 0 "[ . 1 . 2]" 1
82 1 14 SER HA 1 15 TRP H 2.610 . 3.010 2.323 2.229 2.416 . 0 0 "[ . 1 . 2]" 1
83 1 14 SER HA 1 19 PHE HA 3.240 . 3.640 2.315 2.179 2.475 . 0 0 "[ . 1 . 2]" 1
84 1 14 SER QB 1 15 TRP H 3.410 . 3.810 2.796 2.501 3.572 . 0 0 "[ . 1 . 2]" 1
85 1 15 TRP H 1 15 TRP HB3 3.210 . 3.610 3.407 3.324 3.468 . 0 0 "[ . 1 . 2]" 1
86 1 15 TRP H 1 18 GLY H 3.940 . 4.340 3.541 3.381 3.764 . 0 0 "[ . 1 . 2]" 1
87 1 15 TRP H 1 19 PHE QB 3.840 . 4.240 3.520 3.192 4.244 0.004 17 0 "[ . 1 . 2]" 1
88 1 15 TRP HA 1 15 TRP HB2 2.430 . 2.830 2.409 2.327 2.449 . 0 0 "[ . 1 . 2]" 1
89 1 15 TRP HA 1 15 TRP HB3 2.490 . 2.890 2.355 2.328 2.397 . 0 0 "[ . 1 . 2]" 1
90 1 15 TRP HA 1 16 SER H 2.840 . 3.240 2.594 2.544 2.687 . 0 0 "[ . 1 . 2]" 1
91 1 15 TRP HB2 1 16 SER H 5.500 . 5.900 2.274 2.154 2.382 . 0 0 "[ . 1 . 2]" 1
92 1 15 TRP HB3 1 16 SER H 3.490 . 3.890 3.619 3.508 3.695 . 0 0 "[ . 1 . 2]" 1
93 1 15 TRP HE1 1 18 GLY QA 3.890 . 4.290 3.104 2.509 3.886 . 0 0 "[ . 1 . 2]" 1
94 1 16 SER H 1 16 SER HB2 3.320 . 3.720 3.454 3.354 3.513 . 0 0 "[ . 1 . 2]" 1
95 1 16 SER H 1 16 SER HB3 3.310 . 3.710 2.886 2.731 3.121 . 0 0 "[ . 1 . 2]" 1
96 1 16 SER HA 1 16 SER HB2 2.620 . 3.020 2.589 2.525 2.696 . 0 0 "[ . 1 . 2]" 1
97 1 16 SER HA 1 16 SER HB3 2.460 . 2.860 2.287 2.224 2.335 . 0 0 "[ . 1 . 2]" 1
98 1 16 SER HA 1 17 GLY H 2.400 . 2.800 2.172 2.132 2.235 . 0 0 "[ . 1 . 2]" 1
99 1 16 SER HA 1 18 GLY H 3.330 . 3.730 3.677 3.527 3.734 0.004 1 0 "[ . 1 . 2]" 1
100 1 16 SER HB2 1 17 GLY H 3.100 . 3.500 3.576 3.462 3.681 0.181 7 0 "[ . 1 . 2]" 1
101 1 16 SER HB3 1 17 GLY H 3.680 . 4.080 4.079 3.912 4.184 0.104 14 0 "[ . 1 . 2]" 1
102 1 17 GLY H 1 18 GLY H 2.630 . 3.030 2.547 2.298 2.691 . 0 0 "[ . 1 . 2]" 1
103 1 17 GLY QA 1 18 GLY H 2.850 . 3.250 2.891 2.846 2.923 . 0 0 "[ . 1 . 2]" 1
104 1 17 GLY HA2 1 18 GLY H 3.410 . 3.810 3.306 3.090 3.453 . 0 0 "[ . 1 . 2]" 1
105 1 17 GLY HA3 1 18 GLY H 3.410 . 3.810 3.208 3.033 3.390 . 0 0 "[ . 1 . 2]" 1
106 1 18 GLY QA 1 88 THR HA 2.780 . 3.180 2.352 2.108 2.806 . 0 0 "[ . 1 . 2]" 1
107 1 18 GLY QA 1 89 SER H 3.590 . 3.990 3.228 2.401 3.941 . 0 0 "[ . 1 . 2]" 1
108 1 18 GLY HA2 1 19 PHE H 2.850 . 3.250 2.608 2.316 2.871 . 0 0 "[ . 1 . 2]" 1
109 1 18 GLY HA3 1 19 PHE H 2.850 . 3.250 2.510 2.296 2.778 . 0 0 "[ . 1 . 2]" 1
110 1 19 PHE H 1 19 PHE QB 3.700 . 4.100 3.127 2.744 3.249 . 0 0 "[ . 1 . 2]" 1
111 1 19 PHE H 1 19 PHE QD 3.480 . 3.880 2.976 2.746 3.179 . 0 0 "[ . 1 . 2]" 1
112 1 19 PHE H 1 87 ALA H 2.990 . 3.390 3.086 2.918 3.344 . 0 0 "[ . 1 . 2]" 1
113 1 19 PHE H 1 88 THR HA 3.300 . 3.700 3.390 3.207 3.636 . 0 0 "[ . 1 . 2]" 1
114 1 19 PHE HA 1 20 GLN H 2.910 . 3.310 2.470 2.433 2.524 . 0 0 "[ . 1 . 2]" 1
115 1 19 PHE QB 1 20 GLN H 2.790 . 3.190 2.368 2.288 2.431 . 0 0 "[ . 1 . 2]" 1
116 1 19 PHE QD 1 20 GLN H 3.540 . 3.940 3.145 2.875 3.854 . 0 0 "[ . 1 . 2]" 1
117 1 20 GLN H 1 20 GLN QB 3.160 . 3.560 2.407 2.320 2.482 . 0 0 "[ . 1 . 2]" 1
118 1 20 GLN H 1 20 GLN HG2 4.770 . 5.170 4.657 4.565 4.734 . 0 0 "[ . 1 . 2]" 1
119 1 20 GLN H 1 20 GLN HG3 3.760 . 4.160 3.955 3.747 4.143 . 0 0 "[ . 1 . 2]" 1
120 1 20 GLN HA 1 20 GLN HG3 3.520 . 3.920 2.342 2.131 2.442 . 0 0 "[ . 1 . 2]" 1
121 1 20 GLN HA 1 21 GLY H 2.490 . 2.890 2.311 2.218 2.407 . 0 0 "[ . 1 . 2]" 1
122 1 20 GLN HA 1 86 THR HA 2.400 . 2.800 2.301 2.218 2.439 . 0 0 "[ . 1 . 2]" 1
123 1 20 GLN HA 1 87 ALA H 2.910 . 3.310 3.256 3.128 3.396 0.086 2 0 "[ . 1 . 2]" 1
124 1 20 GLN QB 1 21 GLY H 4.290 . 4.690 2.975 2.715 3.350 . 0 0 "[ . 1 . 2]" 1
125 1 20 GLN HG2 1 21 GLY H 2.920 . 3.320 3.216 3.001 3.382 0.062 14 0 "[ . 1 . 2]" 1
126 1 20 GLN HG3 1 21 GLY H 3.600 . 4.000 3.984 3.695 4.063 0.063 20 0 "[ . 1 . 2]" 1
127 1 21 GLY H 1 85 PHE H 3.410 . 3.810 3.079 2.844 3.363 . 0 0 "[ . 1 . 2]" 1
128 1 21 GLY H 1 86 THR HA 3.210 . 3.610 3.196 2.890 3.467 . 0 0 "[ . 1 . 2]" 1
129 1 21 GLY QA 1 22 SER H 2.490 . 2.890 2.203 2.106 2.282 . 0 0 "[ . 1 . 2]" 1
130 1 22 SER H 1 22 SER HB2 3.940 . 4.340 3.643 2.770 3.822 . 0 0 "[ . 1 . 2]" 1
131 1 22 SER H 1 22 SER QB 3.220 . 3.620 3.016 2.706 3.184 . 0 0 "[ . 1 . 2]" 1
132 1 22 SER H 1 22 SER HB3 3.940 . 4.340 3.259 2.978 3.794 . 0 0 "[ . 1 . 2]" 1
133 1 22 SER HA 1 22 SER HB2 2.830 . 3.230 2.507 2.395 2.918 . 0 0 "[ . 1 . 2]" 1
134 1 22 SER HA 1 22 SER QB 2.400 . 2.800 2.162 2.131 2.352 . 0 0 "[ . 1 . 2]" 1
135 1 22 SER HA 1 22 SER HB3 2.830 . 3.230 2.369 2.256 2.482 . 0 0 "[ . 1 . 2]" 1
136 1 22 SER HA 1 23 VAL H 2.510 . 2.910 2.301 2.235 2.376 . 0 0 "[ . 1 . 2]" 1
137 1 22 SER HA 1 85 PHE H 3.890 . 4.290 3.530 3.233 3.945 . 0 0 "[ . 1 . 2]" 1
138 1 22 SER QB 1 23 VAL H 4.010 . 4.410 2.837 2.606 3.149 . 0 0 "[ . 1 . 2]" 1
139 1 23 VAL H 1 23 VAL QG 3.250 . 3.650 2.241 2.084 2.555 . 0 0 "[ . 1 . 2]" 1
140 1 23 VAL H 1 83 PHE H 2.980 . 3.380 2.945 2.725 3.149 . 0 0 "[ . 1 . 2]" 1
141 1 23 VAL H 1 84 GLY QA 3.120 . 3.520 3.117 2.795 3.603 0.083 11 0 "[ . 1 . 2]" 1
142 1 23 VAL HA 1 24 GLU H 2.400 . 2.800 2.218 2.135 2.325 . 0 0 "[ . 1 . 2]" 1
143 1 23 VAL HB 1 24 GLU H 3.440 . 3.840 3.521 2.732 3.899 0.059 1 0 "[ . 1 . 2]" 1
144 1 23 VAL QG 1 24 GLU H 4.870 . 5.270 3.124 2.604 3.516 . 0 0 "[ . 1 . 2]" 1
145 1 23 VAL QG 1 83 PHE H 4.050 . 4.450 3.373 2.669 4.344 . 0 0 "[ . 1 . 2]" 1
146 1 24 GLU H 1 24 GLU HB2 3.700 . 4.100 2.811 2.632 3.031 . 0 0 "[ . 1 . 2]" 1
147 1 24 GLU H 1 24 GLU QB 3.180 . 3.580 2.408 2.313 2.557 . 0 0 "[ . 1 . 2]" 1
148 1 24 GLU H 1 24 GLU HB3 3.700 . 4.100 2.624 2.505 2.766 . 0 0 "[ . 1 . 2]" 1
149 1 24 GLU H 1 24 GLU HG2 5.500 . 5.900 4.453 4.397 4.518 . 0 0 "[ . 1 . 2]" 1
150 1 24 GLU H 1 24 GLU HG3 5.500 . 5.900 4.589 4.502 4.675 . 0 0 "[ . 1 . 2]" 1
151 1 24 GLU HA 1 24 GLU HG2 3.390 . 3.790 2.893 2.644 3.112 . 0 0 "[ . 1 . 2]" 1
152 1 24 GLU HA 1 24 GLU HG3 3.390 . 3.790 2.576 2.473 2.762 . 0 0 "[ . 1 . 2]" 1
153 1 24 GLU HA 1 25 VAL H 2.470 . 2.870 2.256 2.212 2.287 . 0 0 "[ . 1 . 2]" 1
154 1 24 GLU HA 1 82 THR HA 2.400 . 2.800 2.324 2.129 2.559 . 0 0 "[ . 1 . 2]" 1
155 1 24 GLU HA 1 83 PHE H 3.290 . 3.690 3.595 3.305 3.758 0.068 2 0 "[ . 1 . 2]" 1
156 1 24 GLU HB2 1 25 VAL H 4.180 . 4.580 4.142 4.045 4.244 . 0 0 "[ . 1 . 2]" 1
157 1 24 GLU HB3 1 25 VAL H 4.180 . 4.580 3.913 3.751 4.090 . 0 0 "[ . 1 . 2]" 1
158 1 24 GLU QG 1 25 VAL H 3.290 . 3.690 2.506 2.402 2.793 . 0 0 "[ . 1 . 2]" 1
159 1 24 GLU HG2 1 25 VAL H 3.940 . 4.340 2.659 2.456 3.126 . 0 0 "[ . 1 . 2]" 1
160 1 24 GLU HG3 1 25 VAL H 3.940 . 4.340 3.148 2.792 3.498 . 0 0 "[ . 1 . 2]" 1
161 1 25 VAL H 1 25 VAL HB 2.900 . 3.300 2.753 2.608 3.197 . 0 0 "[ . 1 . 2]" 1
162 1 25 VAL H 1 25 VAL MG2 2.860 . 3.260 2.857 2.504 3.905 0.645 20 2 "[ . 1 .- +]" 1
163 1 25 VAL H 1 81 VAL H 3.100 . 3.500 3.017 2.861 3.161 . 0 0 "[ . 1 . 2]" 1
164 1 25 VAL H 1 82 THR HA 3.080 . 3.480 3.195 2.856 3.425 . 0 0 "[ . 1 . 2]" 1
165 1 25 VAL HA 1 26 MET H 2.470 . 2.870 2.210 2.183 2.248 . 0 0 "[ . 1 . 2]" 1
166 1 25 VAL HB 1 26 MET H 5.500 . 5.900 4.187 4.032 4.350 . 0 0 "[ . 1 . 2]" 1
167 1 25 VAL MG1 1 26 MET H 3.160 . 3.560 2.999 2.687 4.107 0.547 16 1 "[ . 1 .+ 2]" 1
168 1 25 VAL MG1 1 36 TRP HZ2 3.500 . 3.900 3.168 2.294 4.223 0.323 16 0 "[ . 1 . 2]" 1
169 1 25 VAL MG2 1 36 TRP HE1 3.830 . 4.230 3.126 1.906 4.263 0.033 1 0 "[ . 1 . 2]" 1
170 1 25 VAL MG2 1 81 VAL H 4.720 . 5.120 4.716 4.347 4.979 . 0 0 "[ . 1 . 2]" 1
171 1 26 MET H 1 26 MET QB 3.040 . 3.440 2.642 2.228 2.895 . 0 0 "[ . 1 . 2]" 1
172 1 26 MET HA 1 27 ASN H 2.640 . 3.040 2.263 2.176 2.345 . 0 0 "[ . 1 . 2]" 1
173 1 26 MET HA 1 80 SER HA 2.520 . 2.920 2.464 2.074 2.870 . 0 0 "[ . 1 . 2]" 1
174 1 26 MET HA 1 81 VAL H 4.240 . 4.640 3.646 3.342 4.094 . 0 0 "[ . 1 . 2]" 1
175 1 26 MET QB 1 27 ASN H 3.870 . 4.270 2.925 2.725 3.884 . 0 0 "[ . 1 . 2]" 1
176 1 27 ASN H 1 80 SER HA 3.620 . 4.020 3.084 2.486 3.546 . 0 0 "[ . 1 . 2]" 1
177 1 27 ASN H 1 80 SER QB 3.720 . 4.120 3.769 2.983 4.181 0.061 12 0 "[ . 1 . 2]" 1
178 1 27 ASN HA 1 28 HIS H 2.570 . 2.970 2.233 2.147 2.487 . 0 0 "[ . 1 . 2]" 1
179 1 27 ASN HA 1 29 GLY H 3.240 . 3.640 3.437 2.894 3.744 0.104 5 0 "[ . 1 . 2]" 1
180 1 27 ASN QB 1 79 GLY H 3.650 . 4.050 3.950 3.189 4.224 0.174 5 0 "[ . 1 . 2]" 1
181 1 27 ASN HB2 1 28 HIS H 5.500 . 5.900 4.405 4.120 4.578 . 0 0 "[ . 1 . 2]" 1
182 1 27 ASN HB3 1 28 HIS H 5.500 . 5.900 4.156 3.668 4.378 . 0 0 "[ . 1 . 2]" 1
183 1 28 HIS H 1 28 HIS HB2 3.120 . 3.520 2.629 2.203 2.962 . 0 0 "[ . 1 . 2]" 1
184 1 28 HIS H 1 29 GLY H 2.740 . 3.140 2.264 1.790 2.546 . 0 0 "[ . 1 . 2]" 1
185 1 28 HIS HA 1 28 HIS HB3 2.960 . 3.360 2.894 2.857 2.907 . 0 0 "[ . 1 . 2]" 1
186 1 28 HIS HA 1 29 GLY H 3.350 . 3.750 3.336 3.272 3.453 . 0 0 "[ . 1 . 2]" 1
187 1 28 HIS HB2 1 29 GLY H 5.500 . 5.900 4.041 3.801 4.202 . 0 0 "[ . 1 . 2]" 1
188 1 28 HIS HB3 1 29 GLY H 2.860 . 3.260 3.179 2.784 3.326 0.066 13 0 "[ . 1 . 2]" 1
189 1 29 GLY H 1 29 GLY HA2 2.560 . 2.960 2.842 2.778 2.900 . 0 0 "[ . 1 . 2]" 1
190 1 29 GLY H 1 29 GLY HA3 2.560 . 2.960 2.300 2.267 2.386 . 0 0 "[ . 1 . 2]" 1
191 1 29 GLY QA 1 31 GLU H 3.260 . 3.660 2.986 2.668 3.408 . 0 0 "[ . 1 . 2]" 1
192 1 29 GLY HA2 1 30 THR H 2.750 . 3.150 2.469 2.258 2.725 . 0 0 "[ . 1 . 2]" 1
193 1 29 GLY HA3 1 30 THR H 2.750 . 3.150 2.723 2.454 2.987 . 0 0 "[ . 1 . 2]" 1
194 1 30 THR H 1 30 THR MG 2.830 . 3.230 2.184 1.752 2.616 . 0 0 "[ . 1 . 2]" 1
195 1 30 THR H 1 31 GLU H 2.630 . 3.030 2.192 1.847 2.451 . 0 0 "[ . 1 . 2]" 1
196 1 30 THR HA 1 30 THR HB 2.400 . 2.800 2.435 2.260 2.541 . 0 0 "[ . 1 . 2]" 1
197 1 30 THR HA 1 30 THR MG 3.420 . 3.820 2.983 2.286 3.165 . 0 0 "[ . 1 . 2]" 1
198 1 30 THR HA 1 31 GLU H 3.420 . 3.820 3.241 3.062 3.396 . 0 0 "[ . 1 . 2]" 1
199 1 30 THR MG 1 31 GLU H 3.480 . 3.880 3.129 2.495 4.089 0.209 1 0 "[ . 1 . 2]" 1
200 1 31 GLU H 1 31 GLU HG2 3.250 . 3.650 3.581 2.666 3.696 0.046 19 0 "[ . 1 . 2]" 1
201 1 31 GLU H 1 31 GLU HG3 3.050 . 3.450 2.644 2.278 2.850 . 0 0 "[ . 1 . 2]" 1
202 1 31 GLU HA 1 31 GLU QB 2.620 . 3.020 2.264 2.097 2.304 . 0 0 "[ . 1 . 2]" 1
203 1 31 GLU HA 1 31 GLU HG2 2.990 . 3.390 2.620 2.496 3.360 . 0 0 "[ . 1 . 2]" 1
204 1 31 GLU HA 1 31 GLU HG3 3.860 . 4.260 3.166 2.966 3.605 . 0 0 "[ . 1 . 2]" 1
205 1 31 GLU HA 1 32 PRO QD 2.530 . 2.930 2.193 2.101 2.297 . 0 0 "[ . 1 . 2]" 1
206 1 32 PRO HA 1 33 LEU H 2.740 . 3.140 2.227 2.095 2.696 . 0 0 "[ . 1 . 2]" 1
207 1 33 LEU H 1 33 LEU HG 5.500 . 5.900 3.911 2.432 4.844 . 0 0 "[ . 1 . 2]" 1
208 1 33 LEU HA 1 34 ASN H 2.400 . 2.800 2.198 2.107 2.282 . 0 0 "[ . 1 . 2]" 1
209 1 33 LEU QB 1 33 LEU HG 2.470 . 2.870 2.192 2.057 2.327 . 0 0 "[ . 1 . 2]" 1
210 1 33 LEU QB 1 34 ASN H 3.780 . 4.180 3.482 2.961 3.881 . 0 0 "[ . 1 . 2]" 1
211 1 33 LEU QD 1 34 ASN H 3.100 . 3.500 3.156 2.575 3.785 0.285 15 0 "[ . 1 . 2]" 1
212 1 33 LEU HG 1 34 ASN H 5.500 . 5.900 4.761 2.707 5.494 . 0 0 "[ . 1 . 2]" 1
213 1 34 ASN H 1 34 ASN HB2 3.070 . 3.470 2.595 2.300 2.871 . 0 0 "[ . 1 . 2]" 1
214 1 34 ASN H 1 34 ASN HB3 3.070 . 3.470 2.581 2.452 2.850 . 0 0 "[ . 1 . 2]" 1
215 1 34 ASN HA 1 35 GLY H 2.540 . 2.940 2.269 2.180 2.374 . 0 0 "[ . 1 . 2]" 1
216 1 34 ASN HA 1 36 TRP H 4.150 . 4.550 3.502 3.111 3.941 . 0 0 "[ . 1 . 2]" 1
217 1 34 ASN QB 1 35 GLY H 3.880 . 4.280 3.607 3.358 3.851 . 0 0 "[ . 1 . 2]" 1
218 1 35 GLY QA 1 36 TRP H 2.840 . 3.240 2.854 2.817 2.893 . 0 0 "[ . 1 . 2]" 1
219 1 35 GLY HA2 1 36 TRP H 3.340 . 3.740 3.123 3.023 3.387 . 0 0 "[ . 1 . 2]" 1
220 1 35 GLY HA3 1 36 TRP H 3.340 . 3.740 3.314 3.100 3.417 . 0 0 "[ . 1 . 2]" 1
221 1 36 TRP H 1 68 ASN H 3.920 . 4.320 4.319 4.095 4.437 0.117 16 0 "[ . 1 . 2]" 1
222 1 36 TRP HA 1 37 ALA H 2.620 . 3.020 2.374 2.212 2.507 . 0 0 "[ . 1 . 2]" 1
223 1 36 TRP HA 1 103 ALA HA 3.110 . 3.510 2.945 2.464 3.629 0.119 4 0 "[ . 1 . 2]" 1
224 1 36 TRP QB 1 37 ALA H 3.310 . 3.710 2.846 2.258 3.706 . 0 0 "[ . 1 . 2]" 1
225 1 36 TRP HE1 1 81 VAL QG 3.350 . 3.750 3.427 2.453 3.985 0.235 20 0 "[ . 1 . 2]" 1
226 1 37 ALA H 1 37 ALA MB 3.010 . 3.410 2.552 2.436 2.711 . 0 0 "[ . 1 . 2]" 1
227 1 37 ALA H 1 102 VAL H 3.270 . 3.670 3.238 2.878 3.549 . 0 0 "[ . 1 . 2]" 1
228 1 37 ALA H 1 103 ALA HA 3.490 . 3.890 3.483 3.076 3.823 . 0 0 "[ . 1 . 2]" 1
229 1 37 ALA HA 1 67 ARG HA 2.620 . 3.020 2.491 2.285 2.708 . 0 0 "[ . 1 . 2]" 1
230 1 37 ALA HA 1 68 ASN H 3.950 . 4.350 4.009 3.727 4.363 0.013 13 0 "[ . 1 . 2]" 1
231 1 37 ALA MB 1 38 VAL H 2.850 . 3.250 2.694 2.334 3.243 . 0 0 "[ . 1 . 2]" 1
232 1 38 VAL H 1 38 VAL HA 2.780 . 3.180 2.878 2.844 2.895 . 0 0 "[ . 1 . 2]" 1
233 1 38 VAL H 1 38 VAL HB 3.330 . 3.730 2.721 2.575 2.911 . 0 0 "[ . 1 . 2]" 1
234 1 38 VAL H 1 38 VAL MG1 4.160 . 4.560 3.873 3.788 3.965 . 0 0 "[ . 1 . 2]" 1
235 1 38 VAL H 1 38 VAL MG2 4.160 . 4.560 2.615 2.136 2.951 . 0 0 "[ . 1 . 2]" 1
236 1 38 VAL H 1 66 VAL H 3.150 . 3.550 2.951 2.629 3.295 . 0 0 "[ . 1 . 2]" 1
237 1 38 VAL H 1 66 VAL HB 3.430 . 3.830 3.615 3.173 3.914 0.084 11 0 "[ . 1 . 2]" 1
238 1 38 VAL H 1 67 ARG HA 3.710 . 4.110 3.585 3.406 3.704 . 0 0 "[ . 1 . 2]" 1
239 1 38 VAL HA 1 39 GLN H 2.700 . 3.100 2.266 2.225 2.372 . 0 0 "[ . 1 . 2]" 1
240 1 38 VAL HA 1 101 CYS HA 2.770 . 3.170 2.326 2.159 2.856 . 0 0 "[ . 1 . 2]" 1
241 1 38 VAL HA 1 102 VAL H 3.270 . 3.670 3.306 2.912 3.702 0.032 13 0 "[ . 1 . 2]" 1
242 1 38 VAL HB 1 39 GLN H 5.500 . 5.900 4.087 3.692 4.335 . 0 0 "[ . 1 . 2]" 1
243 1 38 VAL HB 1 66 VAL H 3.840 . 4.240 3.462 3.036 4.050 . 0 0 "[ . 1 . 2]" 1
244 1 39 GLN H 1 101 CYS HA 3.550 . 3.950 3.049 2.381 3.667 . 0 0 "[ . 1 . 2]" 1
245 1 39 GLN H 1 102 VAL H 4.190 . 4.590 4.389 3.990 4.646 0.056 10 0 "[ . 1 . 2]" 1
246 1 39 GLN HA 1 40 TRP H 2.420 . 2.820 2.309 2.245 2.504 . 0 0 "[ . 1 . 2]" 1
247 1 39 GLN HA 1 65 THR HA 2.400 . 2.800 2.468 2.165 2.831 0.031 2 0 "[ . 1 . 2]" 1
248 1 39 GLN HA 1 66 VAL H 4.060 . 4.460 3.573 3.243 3.859 . 0 0 "[ . 1 . 2]" 1
249 1 39 GLN HB2 1 40 TRP H 3.290 . 3.690 3.329 2.500 3.719 0.029 8 0 "[ . 1 . 2]" 1
250 1 39 GLN HB3 1 40 TRP H 3.290 . 3.690 3.134 2.504 3.781 0.091 10 0 "[ . 1 . 2]" 1
251 1 40 TRP H 1 64 VAL H 3.740 . 4.140 3.505 2.924 4.123 . 0 0 "[ . 1 . 2]" 1
252 1 40 TRP H 1 64 VAL QG 3.210 . 3.610 3.257 2.886 3.915 0.305 4 0 "[ . 1 . 2]" 1
253 1 40 TRP H 1 65 THR HA 3.720 . 4.120 3.701 3.134 4.184 0.064 2 0 "[ . 1 . 2]" 1
254 1 40 TRP HA 1 40 TRP HB2 2.900 . 3.300 2.359 2.222 2.448 . 0 0 "[ . 1 . 2]" 1
255 1 40 TRP HA 1 40 TRP QB 2.490 . 2.890 2.127 2.102 2.189 . 0 0 "[ . 1 . 2]" 1
256 1 40 TRP HA 1 40 TRP HB3 2.900 . 3.300 2.437 2.344 2.864 . 0 0 "[ . 1 . 2]" 1
257 1 40 TRP HA 1 41 GLN H 3.030 . 3.430 2.460 2.245 2.572 . 0 0 "[ . 1 . 2]" 1
258 1 40 TRP QB 1 41 GLN H 3.250 . 3.650 2.443 2.162 3.463 . 0 0 "[ . 1 . 2]" 1
259 1 40 TRP HB2 1 41 GLN H 3.790 . 4.190 2.486 2.180 3.744 . 0 0 "[ . 1 . 2]" 1
260 1 40 TRP HB3 1 41 GLN H 3.790 . 4.190 3.734 3.572 4.079 . 0 0 "[ . 1 . 2]" 1
261 1 40 TRP HZ2 1 48 LEU QD 3.500 . 3.900 3.057 2.156 4.192 0.292 1 0 "[ . 1 . 2]" 1
262 1 40 TRP HZ2 1 64 VAL QG 3.490 . 3.890 3.318 2.846 4.130 0.240 4 0 "[ . 1 . 2]" 1
263 1 41 GLN H 1 41 GLN HB2 3.460 . 3.860 2.931 2.445 3.686 . 0 0 "[ . 1 . 2]" 1
264 1 41 GLN H 1 41 GLN QB 2.990 . 3.390 2.505 2.267 3.075 . 0 0 "[ . 1 . 2]" 1
265 1 41 GLN H 1 41 GLN HB3 3.460 . 3.860 2.823 2.435 3.687 . 0 0 "[ . 1 . 2]" 1
266 1 41 GLN HA 1 42 PRO QD 3.020 . 3.420 2.173 2.047 2.351 . 0 0 "[ . 1 . 2]" 1
267 1 42 PRO HA 1 43 GLY H 2.800 . 3.200 2.253 2.161 2.354 . 0 0 "[ . 1 . 2]" 1
268 1 43 GLY H 1 46 THR HB 3.810 . 4.210 3.698 1.989 4.301 0.091 11 0 "[ . 1 . 2]" 1
269 1 43 GLY QA 1 44 GLY H 2.720 . 3.120 2.275 2.218 2.305 . 0 0 "[ . 1 . 2]" 1
270 1 43 GLY QA 1 96 VAL MG1 4.000 . 4.400 3.862 2.613 4.532 0.132 4 0 "[ . 1 . 2]" 1
271 1 43 GLY QA 1 96 VAL MG2 6.290 . 6.690 2.281 2.081 2.936 . 0 0 "[ . 1 . 2]" 1
272 1 44 GLY H 1 44 GLY QA 2.350 . 2.750 2.171 2.157 2.187 . 0 0 "[ . 1 . 2]" 1
273 1 44 GLY H 1 96 VAL MG2 3.440 . 3.840 3.131 2.066 3.950 0.110 12 0 "[ . 1 . 2]" 1
274 1 44 GLY QA 1 45 GLY H 2.530 . 2.930 2.174 2.127 2.329 . 0 0 "[ . 1 . 2]" 1
275 1 44 GLY QA 1 46 THR H 3.480 . 3.880 3.398 3.087 3.772 . 0 0 "[ . 1 . 2]" 1
276 1 44 GLY HA2 1 45 GLY H 3.180 . 3.580 2.210 2.159 2.367 . 0 0 "[ . 1 . 2]" 1
277 1 44 GLY HA3 1 45 GLY H 3.180 . 3.580 3.240 3.027 3.474 . 0 0 "[ . 1 . 2]" 1
278 1 45 GLY H 1 45 GLY HA2 2.860 . 3.260 2.324 2.271 2.401 . 0 0 "[ . 1 . 2]" 1
279 1 45 GLY H 1 45 GLY HA3 2.860 . 3.260 2.860 2.812 2.892 . 0 0 "[ . 1 . 2]" 1
280 1 45 GLY H 1 46 THR H 2.990 . 3.390 2.423 2.140 2.616 . 0 0 "[ . 1 . 2]" 1
281 1 45 GLY QA 1 46 THR H 2.950 . 3.350 2.861 2.804 2.884 . 0 0 "[ . 1 . 2]" 1
282 1 45 GLY QA 1 92 ASN H 3.180 . 3.580 3.332 2.382 3.736 0.156 10 0 "[ . 1 . 2]" 1
283 1 46 THR H 1 46 THR MG 3.340 . 3.740 3.105 2.352 3.944 0.204 7 0 "[ . 1 . 2]" 1
284 1 46 THR HA 1 47 THR H 2.400 . 2.800 2.353 2.238 2.426 . 0 0 "[ . 1 . 2]" 1
285 1 46 THR HA 1 89 SER HA 2.400 . 2.800 2.371 2.136 2.530 . 0 0 "[ . 1 . 2]" 1
286 1 46 THR HA 1 90 THR H 4.980 . 5.380 3.388 2.427 3.727 . 0 0 "[ . 1 . 2]" 1
287 1 46 THR HB 1 47 THR H 3.740 . 4.140 3.639 2.849 4.093 . 0 0 "[ . 1 . 2]" 1
288 1 46 THR MG 1 47 THR H 2.760 . 3.160 2.964 2.339 3.342 0.182 5 0 "[ . 1 . 2]" 1
289 1 46 THR MG 1 89 SER HA 4.720 . 5.120 3.864 2.648 4.810 . 0 0 "[ . 1 . 2]" 1
290 1 47 THR H 1 47 THR HB 2.990 . 3.390 3.311 3.234 3.358 . 0 0 "[ . 1 . 2]" 1
291 1 47 THR H 1 47 THR MG 3.570 . 3.970 2.533 2.420 2.602 . 0 0 "[ . 1 . 2]" 1
292 1 47 THR H 1 87 ALA MB 3.340 . 3.740 3.596 3.393 3.827 0.087 16 0 "[ . 1 . 2]" 1
293 1 47 THR H 1 88 THR H 3.030 . 3.430 3.057 2.963 3.182 . 0 0 "[ . 1 . 2]" 1
294 1 47 THR H 1 89 SER HA 4.310 . 4.710 3.479 3.160 3.718 . 0 0 "[ . 1 . 2]" 1
295 1 47 THR HA 1 47 THR HB 2.520 . 2.920 2.438 2.414 2.488 . 0 0 "[ . 1 . 2]" 1
296 1 47 THR HA 1 47 THR MG 3.420 . 3.820 3.147 3.135 3.161 . 0 0 "[ . 1 . 2]" 1
297 1 47 THR HA 1 48 LEU H 2.400 . 2.800 2.435 2.344 2.535 . 0 0 "[ . 1 . 2]" 1
298 1 47 THR HB 1 48 LEU H 4.180 . 4.580 3.860 3.752 3.949 . 0 0 "[ . 1 . 2]" 1
299 1 47 THR MG 1 48 LEU H 2.930 . 3.330 3.308 3.088 3.414 0.084 6 0 "[ . 1 . 2]" 1
300 1 48 LEU H 1 48 LEU MD1 3.640 . 4.040 3.177 1.779 3.970 . 0 0 "[ . 1 . 2]" 1
301 1 48 LEU H 1 48 LEU QD 2.750 . 3.150 2.334 1.775 3.292 0.142 18 0 "[ . 1 . 2]" 1
302 1 48 LEU H 1 48 LEU MD2 3.640 . 4.040 2.981 2.040 3.736 . 0 0 "[ . 1 . 2]" 1
303 1 48 LEU H 1 48 LEU HG 5.500 . 5.900 3.123 1.962 4.130 . 0 0 "[ . 1 . 2]" 1
304 1 48 LEU HA 1 48 LEU MD1 4.220 . 4.620 3.365 1.949 3.913 . 0 0 "[ . 1 . 2]" 1
305 1 48 LEU HA 1 48 LEU MD2 4.220 . 4.620 3.503 2.206 4.039 . 0 0 "[ . 1 . 2]" 1
306 1 48 LEU HA 1 87 ALA HA 2.430 . 2.830 2.361 2.030 2.700 . 0 0 "[ . 1 . 2]" 1
307 1 48 LEU HA 1 88 THR H 3.930 . 4.330 3.426 2.964 3.834 . 0 0 "[ . 1 . 2]" 1
308 1 48 LEU QD 1 49 GLY H 2.920 . 3.320 3.163 2.887 3.439 0.119 7 0 "[ . 1 . 2]" 1
309 1 48 LEU QD 1 64 VAL QG 6.050 . 6.450 2.126 1.789 2.890 . 0 0 "[ . 1 . 2]" 1
310 1 49 GLY H 1 49 GLY QA 2.540 . 2.940 2.298 2.262 2.345 . 0 0 "[ . 1 . 2]" 1
311 1 49 GLY H 1 50 GLY H 3.120 . 3.520 2.704 2.241 3.227 . 0 0 "[ . 1 . 2]" 1
312 1 49 GLY H 1 86 THR MG 2.880 . 3.280 3.159 2.929 3.451 0.171 14 0 "[ . 1 . 2]" 1
313 1 49 GLY H 1 87 ALA HA 2.660 . 3.060 2.662 2.354 3.037 . 0 0 "[ . 1 . 2]" 1
314 1 49 GLY QA 1 50 GLY H 2.560 . 2.960 2.366 2.192 2.601 . 0 0 "[ . 1 . 2]" 1
315 1 49 GLY HA2 1 50 GLY H 3.270 . 3.670 3.464 3.377 3.509 . 0 0 "[ . 1 . 2]" 1
316 1 49 GLY HA3 1 50 GLY H 3.270 . 3.670 2.411 2.221 2.682 . 0 0 "[ . 1 . 2]" 1
317 1 50 GLY H 1 50 GLY HA2 2.850 . 3.250 2.874 2.791 2.897 . 0 0 "[ . 1 . 2]" 1
318 1 50 GLY H 1 50 GLY QA 2.400 . 2.800 2.331 2.168 2.421 . 0 0 "[ . 1 . 2]" 1
319 1 50 GLY H 1 50 GLY HA3 2.850 . 3.250 2.469 2.260 2.621 . 0 0 "[ . 1 . 2]" 1
320 1 50 GLY H 1 86 THR H 3.650 . 4.050 3.142 2.767 3.849 . 0 0 "[ . 1 . 2]" 1
321 1 50 GLY H 1 86 THR MG 3.310 . 3.710 1.952 1.804 2.144 . 0 0 "[ . 1 . 2]" 1
322 1 50 GLY QA 1 51 VAL H 2.250 . 2.650 2.233 2.147 2.270 . 0 0 "[ . 1 . 2]" 1
323 1 50 GLY HA2 1 51 VAL H 2.670 . 3.070 2.360 2.202 2.470 . 0 0 "[ . 1 . 2]" 1
324 1 50 GLY HA3 1 51 VAL H 2.670 . 3.070 2.784 2.616 2.983 . 0 0 "[ . 1 . 2]" 1
325 1 51 VAL H 1 51 VAL HB 2.640 . 3.040 2.771 2.627 3.064 0.024 1 0 "[ . 1 . 2]" 1
326 1 51 VAL HA 1 52 TRP H 2.810 . 3.210 2.326 2.260 2.405 . 0 0 "[ . 1 . 2]" 1
327 1 51 VAL HA 1 85 PHE HA 2.400 . 2.800 2.316 2.178 2.493 . 0 0 "[ . 1 . 2]" 1
328 1 51 VAL HA 1 86 THR H 3.310 . 3.710 3.565 3.306 3.716 0.006 6 0 "[ . 1 . 2]" 1
329 1 51 VAL HB 1 52 TRP H 3.620 . 4.020 3.920 3.778 4.028 0.008 3 0 "[ . 1 . 2]" 1
330 1 51 VAL MG1 1 52 TRP H 2.910 . 3.310 2.494 2.261 3.400 0.090 4 0 "[ . 1 . 2]" 1
331 1 52 TRP H 1 52 TRP HB2 3.690 . 4.090 3.715 3.593 3.793 . 0 0 "[ . 1 . 2]" 1
332 1 52 TRP H 1 52 TRP HB3 3.250 . 3.650 3.318 3.077 3.538 . 0 0 "[ . 1 . 2]" 1
333 1 52 TRP H 1 84 GLY H 3.840 . 4.240 3.553 3.166 3.921 . 0 0 "[ . 1 . 2]" 1
334 1 52 TRP H 1 85 PHE HA 3.750 . 4.150 3.122 2.678 3.398 . 0 0 "[ . 1 . 2]" 1
335 1 52 TRP HA 1 52 TRP HB2 2.620 . 3.020 2.475 2.358 2.582 . 0 0 "[ . 1 . 2]" 1
336 1 52 TRP HA 1 52 TRP HB3 2.490 . 2.890 2.304 2.234 2.409 . 0 0 "[ . 1 . 2]" 1
337 1 52 TRP HA 1 53 ASN H 2.620 . 3.020 2.368 2.102 2.588 . 0 0 "[ . 1 . 2]" 1
338 1 52 TRP HB2 1 53 ASN H 3.360 . 3.760 2.567 2.054 3.637 . 0 0 "[ . 1 . 2]" 1
339 1 52 TRP HB3 1 53 ASN H 3.660 . 4.060 3.615 3.295 4.155 0.095 11 0 "[ . 1 . 2]" 1
340 1 52 TRP HE1 1 84 GLY QA 4.680 . 5.080 3.392 2.437 4.456 . 0 0 "[ . 1 . 2]" 1
341 1 53 ASN H 1 53 ASN HA 2.580 . 2.980 2.214 2.168 2.698 . 0 0 "[ . 1 . 2]" 1
342 1 53 ASN H 1 53 ASN QB 3.510 . 3.910 3.247 2.932 3.400 . 0 0 "[ . 1 . 2]" 1
343 1 53 ASN H 1 54 GLY H 2.900 . 3.300 2.683 1.586 3.033 . 0 0 "[ . 1 . 2]" 1
344 1 53 ASN QB 1 54 GLY H 3.970 . 4.370 3.807 3.611 3.894 . 0 0 "[ . 1 . 2]" 1
345 1 53 ASN QB 1 83 PHE HA 3.320 . 3.720 2.775 2.132 3.520 . 0 0 "[ . 1 . 2]" 1
346 1 53 ASN HB2 1 54 GLY H 4.730 . 5.130 4.227 3.988 4.568 . 0 0 "[ . 1 . 2]" 1
347 1 53 ASN HB3 1 54 GLY H 4.730 . 5.130 4.342 4.127 4.459 . 0 0 "[ . 1 . 2]" 1
348 1 54 GLY QA 1 55 SER H 2.690 . 3.090 2.278 2.228 2.312 . 0 0 "[ . 1 . 2]" 1
349 1 54 GLY QA 1 70 ASP H 3.600 . 4.000 3.492 2.573 4.109 0.109 12 0 "[ . 1 . 2]" 1
350 1 55 SER H 1 67 ARG H 3.090 . 3.490 3.248 2.913 3.556 0.066 11 0 "[ . 1 . 2]" 1
351 1 55 SER HA 1 55 SER HB2 2.770 . 3.170 2.626 2.346 2.916 . 0 0 "[ . 1 . 2]" 1
352 1 55 SER HA 1 55 SER HB3 2.770 . 3.170 2.647 2.227 2.916 . 0 0 "[ . 1 . 2]" 1
353 1 55 SER HA 1 56 LEU H 2.400 . 2.800 2.320 2.208 2.452 . 0 0 "[ . 1 . 2]" 1
354 1 55 SER QB 1 67 ARG H 3.680 . 4.080 3.597 3.321 4.175 0.095 10 0 "[ . 1 . 2]" 1
355 1 55 SER HB2 1 56 LEU H 5.500 . 5.900 3.908 2.915 4.386 . 0 0 "[ . 1 . 2]" 1
356 1 55 SER HB3 1 56 LEU H 5.500 . 5.900 3.540 2.695 4.156 . 0 0 "[ . 1 . 2]" 1
357 1 56 LEU H 1 56 LEU MD1 5.500 . 5.900 3.995 2.630 4.501 . 0 0 "[ . 1 . 2]" 1
358 1 56 LEU H 1 56 LEU MD2 5.500 . 5.900 3.108 1.814 4.350 . 0 0 "[ . 1 . 2]" 1
359 1 56 LEU H 1 56 LEU HG 5.500 . 5.900 3.243 2.130 4.595 . 0 0 "[ . 1 . 2]" 1
360 1 56 LEU HA 1 56 LEU QB 2.580 . 2.980 2.241 2.086 2.449 . 0 0 "[ . 1 . 2]" 1
361 1 56 LEU HA 1 56 LEU HG 3.860 . 4.260 3.211 2.407 3.640 . 0 0 "[ . 1 . 2]" 1
362 1 56 LEU HA 1 57 THR H 2.400 . 2.800 2.219 2.131 2.279 . 0 0 "[ . 1 . 2]" 1
363 1 56 LEU HA 1 66 VAL HA 2.400 . 2.800 2.537 2.138 2.870 0.070 5 0 "[ . 1 . 2]" 1
364 1 56 LEU HA 1 67 ARG H 3.370 . 3.770 3.459 2.978 3.802 0.032 3 0 "[ . 1 . 2]" 1
365 1 56 LEU QB 1 57 THR H 2.870 . 3.270 2.954 2.648 3.396 0.126 15 0 "[ . 1 . 2]" 1
366 1 56 LEU MD1 1 57 THR H 5.500 . 5.900 4.240 2.681 4.940 . 0 0 "[ . 1 . 2]" 1
367 1 56 LEU MD2 1 57 THR H 5.500 . 5.900 4.003 2.216 5.141 . 0 0 "[ . 1 . 2]" 1
368 1 56 LEU HG 1 57 THR H 5.500 . 5.900 4.194 2.431 5.162 . 0 0 "[ . 1 . 2]" 1
369 1 57 THR H 1 57 THR HB 3.880 . 4.280 3.772 3.709 3.829 . 0 0 "[ . 1 . 2]" 1
370 1 57 THR H 1 57 THR MG 2.800 . 3.200 3.180 3.021 3.331 0.131 1 0 "[ . 1 . 2]" 1
371 1 57 THR H 1 65 THR H 3.310 . 3.710 3.120 2.745 3.358 . 0 0 "[ . 1 . 2]" 1
372 1 57 THR H 1 66 VAL HA 3.130 . 3.530 3.503 3.297 3.654 0.124 19 0 "[ . 1 . 2]" 1
373 1 57 THR HA 1 57 THR HB 2.400 . 2.800 2.504 2.450 2.567 . 0 0 "[ . 1 . 2]" 1
374 1 57 THR HA 1 57 THR MG 3.420 . 3.820 2.322 2.261 2.399 . 0 0 "[ . 1 . 2]" 1
375 1 57 THR HA 1 58 SER H 2.400 . 2.800 2.463 2.358 2.609 . 0 0 "[ . 1 . 2]" 1
376 1 57 THR HB 1 58 SER H 2.970 . 3.370 2.587 2.242 2.848 . 0 0 "[ . 1 . 2]" 1
377 1 58 SER H 1 58 SER HB2 3.390 . 3.790 2.996 2.540 3.564 . 0 0 "[ . 1 . 2]" 1
378 1 58 SER H 1 58 SER QB 2.870 . 3.270 2.602 2.315 2.800 . 0 0 "[ . 1 . 2]" 1
379 1 58 SER H 1 58 SER HB3 3.390 . 3.790 3.109 2.586 3.728 . 0 0 "[ . 1 . 2]" 1
380 1 58 SER HA 1 58 SER HB2 2.900 . 3.300 2.622 2.397 2.925 . 0 0 "[ . 1 . 2]" 1
381 1 58 SER HA 1 58 SER QB 2.450 . 2.850 2.286 2.155 2.444 . 0 0 "[ . 1 . 2]" 1
382 1 58 SER HA 1 58 SER HB3 2.900 . 3.300 2.612 2.327 2.917 . 0 0 "[ . 1 . 2]" 1
383 1 58 SER HA 1 59 GLY H 2.470 . 2.870 2.337 2.281 2.425 . 0 0 "[ . 1 . 2]" 1
384 1 58 SER HA 1 64 VAL HA 2.400 . 2.800 2.520 2.206 2.906 0.106 2 0 "[ . 1 . 2]" 1
385 1 58 SER HA 1 65 THR H 3.670 . 4.070 3.302 3.017 3.721 . 0 0 "[ . 1 . 2]" 1
386 1 58 SER QB 1 59 GLY H 3.260 . 3.660 2.998 2.530 3.450 . 0 0 "[ . 1 . 2]" 1
387 1 59 GLY H 1 59 GLY QA 2.540 . 2.940 2.261 2.206 2.316 . 0 0 "[ . 1 . 2]" 1
388 1 59 GLY H 1 63 THR H 3.840 . 4.240 3.485 2.887 4.001 . 0 0 "[ . 1 . 2]" 1
389 1 59 GLY H 1 64 VAL HA 3.330 . 3.730 3.201 2.662 3.576 . 0 0 "[ . 1 . 2]" 1
390 1 59 GLY QA 1 61 ASP H 2.950 . 3.350 3.069 2.942 3.260 . 0 0 "[ . 1 . 2]" 1
391 1 59 GLY QA 1 63 THR H 3.320 . 3.720 3.545 3.206 3.921 0.201 14 0 "[ . 1 . 2]" 1
392 1 60 SER QB 1 61 ASP H 3.210 . 3.610 3.062 2.935 3.482 . 0 0 "[ . 1 . 2]" 1
393 1 60 SER HB2 1 61 ASP H 3.830 . 4.230 3.213 3.022 4.054 . 0 0 "[ . 1 . 2]" 1
394 1 60 SER HB3 1 61 ASP H 3.830 . 4.230 4.036 3.145 4.208 . 0 0 "[ . 1 . 2]" 1
395 1 61 ASP H 1 61 ASP HA 2.890 . 3.290 2.829 2.805 2.856 . 0 0 "[ . 1 . 2]" 1
396 1 61 ASP H 1 61 ASP HB2 3.410 . 3.810 2.469 2.244 3.125 . 0 0 "[ . 1 . 2]" 1
397 1 61 ASP H 1 61 ASP QB 2.810 . 3.210 2.366 2.164 2.878 . 0 0 "[ . 1 . 2]" 1
398 1 61 ASP H 1 61 ASP HB3 3.410 . 3.810 3.161 2.659 3.577 . 0 0 "[ . 1 . 2]" 1
399 1 61 ASP H 1 62 GLY H 2.790 . 3.190 2.634 2.516 2.831 . 0 0 "[ . 1 . 2]" 1
400 1 61 ASP H 1 63 THR H 3.550 . 3.950 3.312 3.124 3.452 . 0 0 "[ . 1 . 2]" 1
401 1 61 ASP HA 1 62 GLY H 3.150 . 3.550 3.105 2.963 3.251 . 0 0 "[ . 1 . 2]" 1
402 1 61 ASP QB 1 62 GLY H 4.120 . 4.520 3.527 3.268 3.691 . 0 0 "[ . 1 . 2]" 1
403 1 61 ASP HB2 1 62 GLY H 4.920 . 5.320 3.969 3.618 4.392 . 0 0 "[ . 1 . 2]" 1
404 1 61 ASP HB3 1 62 GLY H 4.920 . 5.320 4.082 3.473 4.561 . 0 0 "[ . 1 . 2]" 1
405 1 62 GLY H 1 62 GLY HA2 2.880 . 3.280 2.280 2.261 2.334 . 0 0 "[ . 1 . 2]" 1
406 1 62 GLY H 1 62 GLY QA 2.420 . 2.820 2.190 2.171 2.238 . 0 0 "[ . 1 . 2]" 1
407 1 62 GLY H 1 62 GLY HA3 2.880 . 3.280 2.827 2.800 2.877 . 0 0 "[ . 1 . 2]" 1
408 1 62 GLY H 1 63 THR H 2.800 . 3.200 2.469 2.307 2.763 . 0 0 "[ . 1 . 2]" 1
409 1 62 GLY QA 1 63 THR H 3.040 . 3.440 2.832 2.762 2.866 . 0 0 "[ . 1 . 2]" 1
410 1 63 THR H 1 63 THR HB 3.440 . 3.840 3.572 3.524 3.718 . 0 0 "[ . 1 . 2]" 1
411 1 63 THR H 1 63 THR MG 2.970 . 3.370 2.571 2.327 3.026 . 0 0 "[ . 1 . 2]" 1
412 1 63 THR HA 1 63 THR HB 2.930 . 3.330 2.502 2.445 2.546 . 0 0 "[ . 1 . 2]" 1
413 1 63 THR HA 1 63 THR MG 3.510 . 3.910 2.348 2.300 2.403 . 0 0 "[ . 1 . 2]" 1
414 1 63 THR HB 1 64 VAL H 2.850 . 3.250 2.491 2.215 2.796 . 0 0 "[ . 1 . 2]" 1
415 1 63 THR MG 1 64 VAL H 3.470 . 3.870 3.664 3.551 3.795 . 0 0 "[ . 1 . 2]" 1
416 1 64 VAL H 1 64 VAL QG 3.020 . 3.420 2.066 1.923 2.195 . 0 0 "[ . 1 . 2]" 1
417 1 64 VAL HA 1 64 VAL HB 2.400 . 2.800 2.476 2.398 2.608 . 0 0 "[ . 1 . 2]" 1
418 1 64 VAL HA 1 65 THR H 2.500 . 2.900 2.342 2.205 2.457 . 0 0 "[ . 1 . 2]" 1
419 1 64 VAL HB 1 65 THR H 2.920 . 3.320 2.743 2.459 3.300 . 0 0 "[ . 1 . 2]" 1
420 1 64 VAL QG 1 65 THR H 3.870 . 4.270 3.284 3.080 3.442 . 0 0 "[ . 1 . 2]" 1
421 1 65 THR H 1 65 THR HB 2.950 . 3.350 3.015 2.688 3.329 . 0 0 "[ . 1 . 2]" 1
422 1 65 THR H 1 65 THR MG 3.940 . 4.340 3.249 2.284 3.936 . 0 0 "[ . 1 . 2]" 1
423 1 65 THR HA 1 65 THR HB 2.960 . 3.360 2.702 2.393 2.936 . 0 0 "[ . 1 . 2]" 1
424 1 65 THR HA 1 65 THR MG 3.420 . 3.820 2.754 2.397 3.174 . 0 0 "[ . 1 . 2]" 1
425 1 65 THR HA 1 66 VAL H 2.640 . 3.040 2.244 2.155 2.337 . 0 0 "[ . 1 . 2]" 1
426 1 65 THR MG 1 66 VAL H 3.150 . 3.550 3.134 2.495 3.703 0.153 7 0 "[ . 1 . 2]" 1
427 1 66 VAL H 1 66 VAL HB 3.320 . 3.720 2.686 2.557 2.939 . 0 0 "[ . 1 . 2]" 1
428 1 66 VAL H 1 66 VAL MG2 3.000 . 3.400 2.454 1.905 2.766 . 0 0 "[ . 1 . 2]" 1
429 1 66 VAL HA 1 67 ARG H 2.430 . 2.830 2.283 2.236 2.349 . 0 0 "[ . 1 . 2]" 1
430 1 66 VAL HB 1 67 ARG H 5.500 . 5.900 3.999 3.663 4.207 . 0 0 "[ . 1 . 2]" 1
431 1 66 VAL MG1 1 67 ARG H 3.170 . 3.570 2.658 2.407 2.874 . 0 0 "[ . 1 . 2]" 1
432 1 67 ARG H 1 67 ARG QB 3.140 . 3.540 3.063 2.909 3.123 . 0 0 "[ . 1 . 2]" 1
433 1 67 ARG HA 1 68 ASN H 2.820 . 3.220 2.448 2.337 2.562 . 0 0 "[ . 1 . 2]" 1
434 1 67 ARG QB 1 68 ASN H 2.870 . 3.270 2.338 2.119 2.544 . 0 0 "[ . 1 . 2]" 1
435 1 68 ASN H 1 68 ASN QB 3.120 . 3.520 3.231 3.173 3.316 . 0 0 "[ . 1 . 2]" 1
436 1 68 ASN HA 1 68 ASN QB 2.620 . 3.020 2.354 2.287 2.390 . 0 0 "[ . 1 . 2]" 1
437 1 68 ASN QB 1 69 VAL H 3.750 . 4.150 3.861 3.731 3.910 . 0 0 "[ . 1 . 2]" 1
438 1 69 VAL H 1 69 VAL HB 3.280 . 3.680 2.505 2.252 2.926 . 0 0 "[ . 1 . 2]" 1
439 1 69 VAL H 1 69 VAL MG2 3.230 . 3.630 2.207 1.774 2.633 . 0 0 "[ . 1 . 2]" 1
440 1 69 VAL HA 1 70 ASP H 2.920 . 3.320 2.233 2.155 2.347 . 0 0 "[ . 1 . 2]" 1
441 1 69 VAL HB 1 70 ASP H 4.150 . 4.550 4.093 3.631 4.321 . 0 0 "[ . 1 . 2]" 1
442 1 69 VAL HB 1 72 ASN H 4.400 . 4.800 4.229 2.584 4.797 . 0 0 "[ . 1 . 2]" 1
443 1 69 VAL MG1 1 70 ASP H 3.350 . 3.750 2.608 2.078 2.868 . 0 0 "[ . 1 . 2]" 1
444 1 69 VAL MG1 1 72 ASN H 2.980 . 3.380 2.832 2.143 3.709 0.329 12 0 "[ . 1 . 2]" 1
445 1 69 VAL MG2 1 70 ASP H 5.500 . 5.900 3.929 3.631 4.267 . 0 0 "[ . 1 . 2]" 1
446 1 69 VAL MG2 1 71 HIS HD2 3.500 . 3.900 4.013 3.576 4.145 0.245 18 0 "[ . 1 . 2]" 1
447 1 69 VAL MG2 1 71 HIS HE1 3.500 . 3.900 3.939 3.506 4.146 0.246 8 0 "[ . 1 . 2]" 1
448 1 70 ASP H 1 70 ASP HB2 3.400 . 3.800 3.565 3.459 3.683 . 0 0 "[ . 1 . 2]" 1
449 1 70 ASP H 1 70 ASP HB3 3.330 . 3.730 2.626 2.234 3.121 . 0 0 "[ . 1 . 2]" 1
450 1 70 ASP HA 1 70 ASP HB2 2.650 . 3.050 2.388 2.290 2.445 . 0 0 "[ . 1 . 2]" 1
451 1 70 ASP HA 1 70 ASP HB3 2.400 . 2.800 2.444 2.333 2.559 . 0 0 "[ . 1 . 2]" 1
452 1 70 ASP HA 1 72 ASN H 3.870 . 4.270 3.528 3.241 3.980 . 0 0 "[ . 1 . 2]" 1
453 1 71 HIS H 1 72 ASN H 3.380 . 3.780 2.734 2.460 2.961 . 0 0 "[ . 1 . 2]" 1
454 1 71 HIS HA 1 71 HIS HB2 2.430 . 2.830 2.429 2.347 2.678 . 0 0 "[ . 1 . 2]" 1
455 1 71 HIS HA 1 71 HIS HB3 2.430 . 2.830 2.378 2.220 2.441 . 0 0 "[ . 1 . 2]" 1
456 1 72 ASN H 1 72 ASN QB 3.280 . 3.680 2.641 2.390 3.004 . 0 0 "[ . 1 . 2]" 1
457 1 72 ASN H 1 73 ARG H 2.500 . 2.900 2.421 1.974 2.895 . 0 0 "[ . 1 . 2]" 1
458 1 72 ASN HA 1 72 ASN HB2 2.400 . 2.800 2.345 2.265 2.399 . 0 0 "[ . 1 . 2]" 1
459 1 72 ASN HA 1 72 ASN HB3 2.400 . 2.800 2.443 2.346 2.491 . 0 0 "[ . 1 . 2]" 1
460 1 72 ASN QD 1 81 VAL QG 5.270 . 5.670 4.472 2.702 5.686 0.016 8 0 "[ . 1 . 2]" 1
461 1 73 ARG H 1 74 VAL H 3.030 . 3.430 2.536 2.204 2.854 . 0 0 "[ . 1 . 2]" 1
462 1 74 VAL H 1 74 VAL HB 3.070 . 3.470 2.647 2.506 2.975 . 0 0 "[ . 1 . 2]" 1
463 1 74 VAL H 1 74 VAL QG 3.230 . 3.630 2.234 1.753 2.790 . 0 0 "[ . 1 . 2]" 1
464 1 74 VAL QG 1 75 VAL H 5.440 . 5.840 3.197 2.020 3.687 . 0 0 "[ . 1 . 2]" 1
465 1 77 PRO HA 1 78 ASP H 2.670 . 3.070 2.293 2.064 2.859 . 0 0 "[ . 1 . 2]" 1
466 1 77 PRO HA 1 79 GLY H 5.500 . 5.900 3.419 2.894 4.337 . 0 0 "[ . 1 . 2]" 1
467 1 78 ASP H 1 78 ASP HA 2.630 . 3.030 2.628 2.139 2.891 . 0 0 "[ . 1 . 2]" 1
468 1 78 ASP H 1 78 ASP HB2 4.030 . 4.430 3.672 3.081 3.936 . 0 0 "[ . 1 . 2]" 1
469 1 78 ASP H 1 78 ASP HB3 4.030 . 4.430 2.983 2.615 3.361 . 0 0 "[ . 1 . 2]" 1
470 1 78 ASP H 1 79 GLY H 3.130 . 3.530 2.511 1.916 3.144 . 0 0 "[ . 1 . 2]" 1
471 1 78 ASP HA 1 78 ASP HB2 2.650 . 3.050 2.390 2.192 2.505 . 0 0 "[ . 1 . 2]" 1
472 1 78 ASP HA 1 78 ASP QB 2.270 . 2.670 2.147 2.105 2.309 . 0 0 "[ . 1 . 2]" 1
473 1 78 ASP HA 1 78 ASP HB3 2.650 . 3.050 2.468 2.287 2.880 . 0 0 "[ . 1 . 2]" 1
474 1 78 ASP HA 1 79 GLY H 3.180 . 3.580 3.008 2.491 3.390 . 0 0 "[ . 1 . 2]" 1
475 1 78 ASP HB2 1 79 GLY H 5.500 . 5.900 4.389 3.914 4.596 . 0 0 "[ . 1 . 2]" 1
476 1 78 ASP HB3 1 79 GLY H 5.500 . 5.900 4.342 3.736 4.604 . 0 0 "[ . 1 . 2]" 1
477 1 79 GLY H 1 79 GLY HA2 2.870 . 3.270 2.816 2.628 2.899 . 0 0 "[ . 1 . 2]" 1
478 1 79 GLY H 1 79 GLY HA3 2.870 . 3.270 2.551 2.258 2.850 . 0 0 "[ . 1 . 2]" 1
479 1 79 GLY HA2 1 80 SER H 2.820 . 3.220 2.854 2.643 3.099 . 0 0 "[ . 1 . 2]" 1
480 1 79 GLY HA3 1 80 SER H 2.820 . 3.220 2.316 2.174 2.490 . 0 0 "[ . 1 . 2]" 1
481 1 80 SER H 1 80 SER HB2 3.590 . 3.990 3.313 2.694 3.744 . 0 0 "[ . 1 . 2]" 1
482 1 80 SER H 1 80 SER QB 3.090 . 3.490 2.677 2.374 2.928 . 0 0 "[ . 1 . 2]" 1
483 1 80 SER H 1 80 SER HB3 3.590 . 3.990 2.844 2.592 3.343 . 0 0 "[ . 1 . 2]" 1
484 1 80 SER HA 1 80 SER HB2 2.870 . 3.270 2.501 2.406 2.764 . 0 0 "[ . 1 . 2]" 1
485 1 80 SER HA 1 80 SER QB 2.330 . 2.730 2.221 2.144 2.349 . 0 0 "[ . 1 . 2]" 1
486 1 80 SER HA 1 80 SER HB3 2.870 . 3.270 2.552 2.249 2.925 . 0 0 "[ . 1 . 2]" 1
487 1 80 SER HA 1 81 VAL H 2.790 . 3.190 2.318 2.241 2.403 . 0 0 "[ . 1 . 2]" 1
488 1 80 SER QB 1 81 VAL H 3.200 . 3.600 2.961 2.522 3.490 . 0 0 "[ . 1 . 2]" 1
489 1 80 SER HB2 1 81 VAL H 3.800 . 4.200 3.211 2.575 4.045 . 0 0 "[ . 1 . 2]" 1
490 1 80 SER HB3 1 81 VAL H 3.800 . 4.200 3.736 3.428 3.868 . 0 0 "[ . 1 . 2]" 1
491 1 81 VAL H 1 81 VAL QG 2.850 . 3.250 2.172 2.024 2.282 . 0 0 "[ . 1 . 2]" 1
492 1 81 VAL HA 1 81 VAL HB 2.830 . 3.230 2.462 2.396 2.535 . 0 0 "[ . 1 . 2]" 1
493 1 81 VAL HA 1 82 THR H 3.110 . 3.510 2.450 2.334 2.541 . 0 0 "[ . 1 . 2]" 1
494 1 81 VAL HB 1 82 THR H 2.670 . 3.070 2.589 2.319 2.852 . 0 0 "[ . 1 . 2]" 1
495 1 81 VAL QG 1 82 THR H 3.420 . 3.820 3.243 3.065 3.358 . 0 0 "[ . 1 . 2]" 1
496 1 82 THR H 1 82 THR HB 2.960 . 3.360 3.164 2.960 3.376 0.016 7 0 "[ . 1 . 2]" 1
497 1 82 THR H 1 82 THR MG 3.080 . 3.480 2.374 2.223 3.350 . 0 0 "[ . 1 . 2]" 1
498 1 82 THR HA 1 82 THR HB 2.460 . 2.860 2.463 2.422 2.773 . 0 0 "[ . 1 . 2]" 1
499 1 82 THR HA 1 83 PHE H 2.490 . 2.890 2.326 2.182 2.395 . 0 0 "[ . 1 . 2]" 1
500 1 82 THR HB 1 83 PHE H 3.760 . 4.160 3.775 3.134 3.888 . 0 0 "[ . 1 . 2]" 1
501 1 82 THR MG 1 83 PHE H 2.990 . 3.390 3.426 3.097 3.555 0.165 14 0 "[ . 1 . 2]" 1
502 1 83 PHE H 1 83 PHE QD 3.500 . 3.900 2.981 2.727 3.543 . 0 0 "[ . 1 . 2]" 1
503 1 83 PHE HA 1 83 PHE HB2 2.870 . 3.270 2.620 2.272 2.909 . 0 0 "[ . 1 . 2]" 1
504 1 83 PHE HA 1 83 PHE QB 2.420 . 2.820 2.202 2.085 2.373 . 0 0 "[ . 1 . 2]" 1
505 1 83 PHE HA 1 83 PHE HB3 2.870 . 3.270 2.398 2.275 2.514 . 0 0 "[ . 1 . 2]" 1
506 1 83 PHE HA 1 84 GLY H 2.940 . 3.340 2.592 2.376 2.729 . 0 0 "[ . 1 . 2]" 1
507 1 83 PHE QB 1 84 GLY H 2.730 . 3.130 2.362 2.196 2.680 . 0 0 "[ . 1 . 2]" 1
508 1 83 PHE HB2 1 84 GLY H 3.430 . 3.830 2.933 2.217 3.682 . 0 0 "[ . 1 . 2]" 1
509 1 83 PHE HB3 1 84 GLY H 3.430 . 3.830 3.072 2.257 3.756 . 0 0 "[ . 1 . 2]" 1
510 1 83 PHE QD 1 84 GLY H 3.380 . 3.780 3.361 2.544 4.027 0.247 11 0 "[ . 1 . 2]" 1
511 1 84 GLY QA 1 85 PHE H 2.770 . 3.170 2.237 2.193 2.274 . 0 0 "[ . 1 . 2]" 1
512 1 85 PHE H 1 85 PHE HB2 3.770 . 4.170 3.870 3.830 3.920 . 0 0 "[ . 1 . 2]" 1
513 1 85 PHE H 1 85 PHE HB3 3.390 . 3.790 3.349 3.236 3.458 . 0 0 "[ . 1 . 2]" 1
514 1 85 PHE H 1 85 PHE QD 3.290 . 3.690 3.091 2.880 3.262 . 0 0 "[ . 1 . 2]" 1
515 1 85 PHE HA 1 85 PHE HB2 2.710 . 3.110 2.406 2.370 2.445 . 0 0 "[ . 1 . 2]" 1
516 1 85 PHE HA 1 85 PHE HB3 2.430 . 2.830 2.383 2.348 2.421 . 0 0 "[ . 1 . 2]" 1
517 1 85 PHE HA 1 86 THR H 2.510 . 2.910 2.482 2.440 2.535 . 0 0 "[ . 1 . 2]" 1
518 1 85 PHE HB2 1 86 THR H 2.810 . 3.210 2.389 2.301 2.476 . 0 0 "[ . 1 . 2]" 1
519 1 85 PHE HB3 1 86 THR H 3.330 . 3.730 3.679 3.604 3.740 0.010 11 0 "[ . 1 . 2]" 1
520 1 85 PHE QD 1 86 THR H 3.360 . 3.760 3.169 2.944 3.389 . 0 0 "[ . 1 . 2]" 1
521 1 86 THR H 1 86 THR HB 3.500 . 3.900 3.146 3.025 3.287 . 0 0 "[ . 1 . 2]" 1
522 1 86 THR H 1 86 THR MG 3.200 . 3.600 2.243 2.173 2.344 . 0 0 "[ . 1 . 2]" 1
523 1 86 THR HA 1 86 THR HB 2.430 . 2.830 2.407 2.366 2.470 . 0 0 "[ . 1 . 2]" 1
524 1 86 THR HA 1 87 ALA H 2.980 . 3.380 2.354 2.311 2.422 . 0 0 "[ . 1 . 2]" 1
525 1 86 THR HB 1 87 ALA H 3.630 . 4.030 3.879 3.806 3.929 . 0 0 "[ . 1 . 2]" 1
526 1 86 THR MG 1 87 ALA H 3.460 . 3.860 3.551 3.440 3.638 . 0 0 "[ . 1 . 2]" 1
527 1 87 ALA H 1 87 ALA HA 2.740 . 3.140 2.858 2.830 2.891 . 0 0 "[ . 1 . 2]" 1
528 1 87 ALA H 1 87 ALA MB 2.850 . 3.250 2.625 2.502 2.703 . 0 0 "[ . 1 . 2]" 1
529 1 87 ALA HA 1 88 THR H 3.140 . 3.540 2.394 2.289 2.486 . 0 0 "[ . 1 . 2]" 1
530 1 87 ALA MB 1 88 THR H 2.640 . 3.040 2.498 2.328 2.754 . 0 0 "[ . 1 . 2]" 1
531 1 88 THR H 1 88 THR HB 3.600 . 4.000 3.627 3.317 3.767 . 0 0 "[ . 1 . 2]" 1
532 1 88 THR H 1 88 THR MG 2.980 . 3.380 2.995 2.422 3.474 0.094 13 0 "[ . 1 . 2]" 1
533 1 88 THR HA 1 88 THR HB 2.460 . 2.860 2.513 2.397 2.621 . 0 0 "[ . 1 . 2]" 1
534 1 88 THR HA 1 89 SER H 2.490 . 2.890 2.456 2.348 2.597 . 0 0 "[ . 1 . 2]" 1
535 1 88 THR HB 1 89 SER H 2.980 . 3.380 2.736 2.358 3.532 0.152 3 0 "[ . 1 . 2]" 1
536 1 88 THR MG 1 89 SER H 3.090 . 3.490 3.485 2.950 3.699 0.209 14 0 "[ . 1 . 2]" 1
537 1 89 SER H 1 89 SER HB2 3.380 . 3.780 3.211 2.776 3.367 . 0 0 "[ . 1 . 2]" 1
538 1 89 SER H 1 89 SER HB3 3.240 . 3.640 2.829 2.479 3.043 . 0 0 "[ . 1 . 2]" 1
539 1 89 SER HA 1 89 SER HB2 2.710 . 3.110 2.433 2.372 2.515 . 0 0 "[ . 1 . 2]" 1
540 1 89 SER HA 1 89 SER HB3 2.460 . 2.860 2.924 2.908 2.939 0.079 1 0 "[ . 1 . 2]" 1
541 1 89 SER HA 1 90 THR H 2.890 . 3.290 2.289 2.221 2.381 . 0 0 "[ . 1 . 2]" 1
542 1 89 SER HB2 1 90 THR H 4.890 . 5.290 3.901 3.792 4.030 . 0 0 "[ . 1 . 2]" 1
543 1 89 SER HB3 1 90 THR H 3.820 . 4.220 3.771 3.509 3.983 . 0 0 "[ . 1 . 2]" 1
544 1 90 THR H 1 90 THR MG 3.370 . 3.770 2.470 2.142 2.859 . 0 0 "[ . 1 . 2]" 1
545 1 90 THR H 1 91 GLY H 3.000 . 3.400 2.254 1.919 2.518 . 0 0 "[ . 1 . 2]" 1
546 1 90 THR H 1 92 ASN H 3.560 . 3.960 3.381 2.974 4.067 0.107 20 0 "[ . 1 . 2]" 1
547 1 90 THR HA 1 90 THR HB 2.400 . 2.800 2.468 2.380 2.530 . 0 0 "[ . 1 . 2]" 1
548 1 90 THR HA 1 90 THR MG 3.420 . 3.820 2.571 2.351 3.168 . 0 0 "[ . 1 . 2]" 1
549 1 90 THR MG 1 91 GLY H 5.500 . 5.900 3.924 2.952 4.253 . 0 0 "[ . 1 . 2]" 1
550 1 91 GLY H 1 92 ASN H 2.530 . 2.930 2.271 2.000 2.893 . 0 0 "[ . 1 . 2]" 1
551 1 91 GLY QA 1 92 ASN H 3.060 . 3.460 2.716 2.338 2.866 . 0 0 "[ . 1 . 2]" 1
552 1 92 ASN H 1 92 ASN HB2 3.770 . 4.170 2.525 2.240 3.050 . 0 0 "[ . 1 . 2]" 1
553 1 92 ASN H 1 92 ASN QB 3.160 . 3.560 2.406 2.213 2.900 . 0 0 "[ . 1 . 2]" 1
554 1 92 ASN H 1 92 ASN HB3 3.770 . 4.170 3.364 2.482 3.745 . 0 0 "[ . 1 . 2]" 1
555 1 92 ASN HA 1 93 ASP H 2.460 . 2.860 2.268 2.168 2.654 . 0 0 "[ . 1 . 2]" 1
556 1 92 ASN HA 1 94 PHE H 3.570 . 3.970 3.418 3.053 4.020 0.050 4 0 "[ . 1 . 2]" 1
557 1 92 ASN QB 1 93 ASP H 3.860 . 4.260 3.602 2.840 3.909 . 0 0 "[ . 1 . 2]" 1
558 1 92 ASN HB2 1 93 ASP H 4.410 . 4.810 4.348 3.933 4.557 . 0 0 "[ . 1 . 2]" 1
559 1 92 ASN HB3 1 93 ASP H 4.410 . 4.810 3.874 2.914 4.293 . 0 0 "[ . 1 . 2]" 1
560 1 93 ASP H 1 94 PHE H 2.960 . 3.360 2.436 2.041 3.028 . 0 0 "[ . 1 . 2]" 1
561 1 93 ASP HA 1 94 PHE H 3.520 . 3.920 3.149 2.864 3.429 . 0 0 "[ . 1 . 2]" 1
562 1 94 PHE HA 1 94 PHE QB 2.510 . 2.910 2.285 2.140 2.354 . 0 0 "[ . 1 . 2]" 1
563 1 95 PRO HA 1 96 VAL H 2.690 . 3.090 2.340 2.167 2.543 . 0 0 "[ . 1 . 2]" 1
564 1 96 VAL H 1 96 VAL HB 3.270 . 3.670 2.661 2.535 3.091 . 0 0 "[ . 1 . 2]" 1
565 1 96 VAL H 1 96 VAL MG2 2.610 . 3.010 2.508 1.822 2.853 . 0 0 "[ . 1 . 2]" 1
566 1 96 VAL H 1 97 ASP H 2.970 . 3.370 2.289 1.910 2.823 . 0 0 "[ . 1 . 2]" 1
567 1 96 VAL HA 1 97 ASP H 3.480 . 3.880 3.476 3.358 3.518 . 0 0 "[ . 1 . 2]" 1
568 1 96 VAL HB 1 97 ASP H 3.050 . 3.450 2.480 1.990 2.942 . 0 0 "[ . 1 . 2]" 1
569 1 96 VAL MG2 1 97 ASP H 3.390 . 3.790 3.676 3.145 3.828 0.038 19 0 "[ . 1 . 2]" 1
570 1 97 ASP H 1 97 ASP HA 2.890 . 3.290 2.811 2.188 2.875 . 0 0 "[ . 1 . 2]" 1
571 1 97 ASP H 1 97 ASP QB 3.020 . 3.420 2.698 2.150 3.134 . 0 0 "[ . 1 . 2]" 1
572 1 97 ASP HA 1 97 ASP QB 2.310 . 2.710 2.322 2.123 2.438 . 0 0 "[ . 1 . 2]" 1
573 1 97 ASP HA 1 98 SER H 2.900 . 3.300 2.456 2.304 2.696 . 0 0 "[ . 1 . 2]" 1
574 1 98 SER H 1 98 SER HA 2.840 . 3.240 2.807 2.735 2.868 . 0 0 "[ . 1 . 2]" 1
575 1 98 SER H 1 98 SER HB2 3.260 . 3.660 2.889 2.434 3.542 . 0 0 "[ . 1 . 2]" 1
576 1 98 SER H 1 98 SER HB3 3.260 . 3.660 3.315 2.561 3.603 . 0 0 "[ . 1 . 2]" 1
577 1 98 SER HA 1 99 ILE H 2.460 . 2.860 2.369 2.252 2.472 . 0 0 "[ . 1 . 2]" 1
578 1 98 SER QB 1 99 ILE H 2.720 . 3.120 2.632 2.332 3.005 . 0 0 "[ . 1 . 2]" 1
579 1 98 SER HB2 1 99 ILE H 3.270 . 3.670 3.270 2.405 3.773 0.103 13 0 "[ . 1 . 2]" 1
580 1 98 SER HB3 1 99 ILE H 3.270 . 3.670 3.016 2.370 3.694 0.024 19 0 "[ . 1 . 2]" 1
581 1 99 ILE H 1 99 ILE HB 3.600 . 4.000 3.326 2.185 3.821 . 0 0 "[ . 1 . 2]" 1
582 1 99 ILE H 1 99 ILE MD 3.170 . 3.570 2.957 1.662 3.779 0.209 18 0 "[ . 1 . 2]" 1
583 1 99 ILE H 1 99 ILE MG 2.710 . 3.110 2.803 2.342 3.393 0.283 17 0 "[ . 1 . 2]" 1
584 1 99 ILE HA 1 100 GLY H 2.740 . 3.140 2.379 2.188 2.557 . 0 0 "[ . 1 . 2]" 1
585 1 99 ILE HB 1 100 GLY H 4.670 . 5.070 2.993 2.183 4.374 . 0 0 "[ . 1 . 2]" 1
586 1 99 ILE MG 1 100 GLY H 3.560 . 3.960 3.510 2.727 3.983 0.023 10 0 "[ . 1 . 2]" 1
587 1 100 GLY QA 1 101 CYS H 2.570 . 2.970 2.279 2.214 2.328 . 0 0 "[ . 1 . 2]" 1
588 1 100 GLY HA2 1 101 CYS H 2.970 . 3.370 2.537 2.320 2.757 . 0 0 "[ . 1 . 2]" 1
589 1 100 GLY HA3 1 101 CYS H 2.970 . 3.370 2.603 2.383 2.798 . 0 0 "[ . 1 . 2]" 1
590 1 101 CYS H 1 101 CYS HB2 3.490 . 3.890 3.685 3.374 3.824 . 0 0 "[ . 1 . 2]" 1
591 1 101 CYS H 1 101 CYS HB3 3.490 . 3.890 3.136 2.511 3.539 . 0 0 "[ . 1 . 2]" 1
592 1 101 CYS HA 1 102 VAL H 2.550 . 2.950 2.363 2.249 2.472 . 0 0 "[ . 1 . 2]" 1
593 1 101 CYS QB 1 102 VAL H 3.130 . 3.530 2.534 2.317 2.759 . 0 0 "[ . 1 . 2]" 1
594 1 101 CYS HB2 1 102 VAL H 3.650 . 4.050 2.582 2.351 2.812 . 0 0 "[ . 1 . 2]" 1
595 1 101 CYS HB3 1 102 VAL H 3.650 . 4.050 3.713 3.193 3.995 . 0 0 "[ . 1 . 2]" 1
596 1 102 VAL H 1 102 VAL HB 3.640 . 4.040 3.781 3.665 3.836 . 0 0 "[ . 1 . 2]" 1
597 1 102 VAL H 1 102 VAL MG1 3.270 . 3.670 3.083 2.959 3.599 . 0 0 "[ . 1 . 2]" 1
598 1 102 VAL H 1 102 VAL QG 2.730 . 3.130 2.202 2.122 2.275 . 0 0 "[ . 1 . 2]" 1
599 1 102 VAL H 1 102 VAL MG2 3.270 . 3.670 2.256 2.169 2.337 . 0 0 "[ . 1 . 2]" 1
600 1 102 VAL HA 1 103 ALA H 2.400 . 2.800 2.409 2.243 2.491 . 0 0 "[ . 1 . 2]" 1
601 1 102 VAL HB 1 103 ALA H 2.930 . 3.330 2.559 2.410 3.074 . 0 0 "[ . 1 . 2]" 1
602 1 102 VAL QG 1 103 ALA H 3.060 . 3.460 3.206 3.121 3.371 . 0 0 "[ . 1 . 2]" 1
603 1 103 ALA H 1 103 ALA MB 2.630 . 3.030 2.411 2.229 2.592 . 0 0 "[ . 1 . 2]" 1
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