NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589906 |
2mql   |
25038 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mql
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 2168
_Distance_constraint_stats_list.Viol_count 1757
_Distance_constraint_stats_list.Viol_total 1728.603
_Distance_constraint_stats_list.Viol_max 0.303
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0492
_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 GLU 0.333 0.079 9 0 "[ . 1 . 2]"
1 3 ASN 2.135 0.201 8 0 "[ . 1 . 2]"
1 4 TYR 1.640 0.201 8 0 "[ . 1 . 2]"
1 5 ASP 0.427 0.144 20 0 "[ . 1 . 2]"
1 6 ASP 0.657 0.125 6 0 "[ . 1 . 2]"
1 7 PRO 3.526 0.162 5 0 "[ . 1 . 2]"
1 8 HIS 1.830 0.138 2 0 "[ . 1 . 2]"
1 9 LYS 0.311 0.081 4 0 "[ . 1 . 2]"
1 10 THR 1.514 0.124 17 0 "[ . 1 . 2]"
1 11 PRO 0.497 0.052 9 0 "[ . 1 . 2]"
1 12 ALA 0.078 0.045 14 0 "[ . 1 . 2]"
1 13 SER 1.376 0.124 17 0 "[ . 1 . 2]"
1 14 PRO 0.600 0.056 3 0 "[ . 1 . 2]"
1 15 VAL 0.484 0.069 15 0 "[ . 1 . 2]"
1 16 VAL 2.819 0.100 6 0 "[ . 1 . 2]"
1 17 HIS 4.759 0.189 6 0 "[ . 1 . 2]"
1 18 ILE 0.676 0.073 1 0 "[ . 1 . 2]"
1 19 ARG 2.104 0.131 15 0 "[ . 1 . 2]"
1 20 GLY 1.072 0.094 7 0 "[ . 1 . 2]"
1 21 LEU 2.683 0.176 14 0 "[ . 1 . 2]"
1 22 ILE 5.040 0.113 15 0 "[ . 1 . 2]"
1 23 ASP 2.082 0.197 7 0 "[ . 1 . 2]"
1 24 GLY 1.754 0.101 11 0 "[ . 1 . 2]"
1 25 VAL 5.295 0.197 7 0 "[ . 1 . 2]"
1 26 VAL 1.808 0.175 12 0 "[ . 1 . 2]"
1 27 GLU 1.715 0.175 12 0 "[ . 1 . 2]"
1 28 ALA 1.464 0.089 9 0 "[ . 1 . 2]"
1 29 ASP 4.762 0.166 20 0 "[ . 1 . 2]"
1 30 LEU 0.118 0.033 12 0 "[ . 1 . 2]"
1 31 VAL 2.708 0.089 9 0 "[ . 1 . 2]"
1 32 GLU 1.772 0.074 9 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 3.375 0.073 1 0 "[ . 1 . 2]"
1 35 GLN 1.126 0.185 15 0 "[ . 1 . 2]"
1 36 GLU 0.362 0.185 15 0 "[ . 1 . 2]"
1 37 PHE 1.537 0.081 13 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 1.260 0.083 11 0 "[ . 1 . 2]"
1 40 ILE 2.535 0.089 5 0 "[ . 1 . 2]"
1 41 SER 2.384 0.120 17 0 "[ . 1 . 2]"
1 42 TYR 0.990 0.055 7 0 "[ . 1 . 2]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 4.056 0.230 12 0 "[ . 1 . 2]"
1 45 VAL 2.604 0.100 4 0 "[ . 1 . 2]"
1 46 MET 0.494 0.068 9 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 3.056 0.174 6 0 "[ . 1 . 2]"
1 51 GLN 0.140 0.068 9 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 3.891 0.230 12 0 "[ . 1 . 2]"
1 54 VAL 0.379 0.063 13 0 "[ . 1 . 2]"
1 55 GLU 4.399 0.128 7 0 "[ . 1 . 2]"
1 56 PHE 3.260 0.083 13 0 "[ . 1 . 2]"
1 57 GLU 2.918 0.089 5 0 "[ . 1 . 2]"
1 58 ASP 0.902 0.074 17 0 "[ . 1 . 2]"
1 59 VAL 0.211 0.073 5 0 "[ . 1 . 2]"
1 60 LEU 0.841 0.056 3 0 "[ . 1 . 2]"
1 61 GLY 1.169 0.083 11 0 "[ . 1 . 2]"
1 62 ALA 1.536 0.076 12 0 "[ . 1 . 2]"
1 63 CYS 1.057 0.118 18 0 "[ . 1 . 2]"
1 64 ASN 0.177 0.063 13 0 "[ . 1 . 2]"
1 65 ALA 0.681 0.081 3 0 "[ . 1 . 2]"
1 66 VAL 3.146 0.146 15 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TYR 3.280 0.087 18 0 "[ . 1 . 2]"
1 69 ALA 2.353 0.110 6 0 "[ . 1 . 2]"
1 70 ALA 1.386 0.098 18 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLN 1.232 0.076 12 0 "[ . 1 . 2]"
1 74 ILE 2.894 0.109 15 0 "[ . 1 . 2]"
1 75 TYR 4.046 0.101 3 0 "[ . 1 . 2]"
1 76 ILE 4.401 0.144 18 0 "[ . 1 . 2]"
1 77 ALA 0.614 0.050 20 0 "[ . 1 . 2]"
1 78 GLY 3.559 0.127 15 0 "[ . 1 . 2]"
1 79 HIS 3.276 0.113 15 0 "[ . 1 . 2]"
1 80 PRO 0.321 0.045 3 0 "[ . 1 . 2]"
1 81 ALA 2.904 0.144 18 0 "[ . 1 . 2]"
1 82 PHE 2.254 0.109 15 0 "[ . 1 . 2]"
1 83 VAL 2.135 0.131 15 0 "[ . 1 . 2]"
1 84 ASN 2.522 0.110 3 0 "[ . 1 . 2]"
1 85 TYR 5.777 0.180 20 0 "[ . 1 . 2]"
1 86 SER 0.701 0.113 17 0 "[ . 1 . 2]"
1 88 SER 2.441 0.189 6 0 "[ . 1 . 2]"
1 89 GLN 2.115 0.303 17 0 "[ . 1 . 2]"
1 90 LYS 4.739 0.303 17 0 "[ . 1 . 2]"
1 91 ILE 0.268 0.060 17 0 "[ . 1 . 2]"
1 93 ARG 1.614 0.134 12 0 "[ . 1 . 2]"
1 94 PRO 3.634 0.210 15 0 "[ . 1 . 2]"
1 95 GLY 0.607 0.174 1 0 "[ . 1 . 2]"
1 96 ASP 1.173 0.210 15 0 "[ . 1 . 2]"
1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 SER 0.446 0.119 2 0 "[ . 1 . 2]"
1 101 ARG 2.236 0.230 20 0 "[ . 1 . 2]"
1 102 SER 0.857 0.230 20 0 "[ . 1 . 2]"
1 103 VAL 1.741 0.139 9 0 "[ . 1 . 2]"
1 104 ASN 0.239 0.105 14 0 "[ . 1 . 2]"
1 105 SER 0.569 0.139 9 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 GLU HA 1 7 PRO QD . . 5.530 5.174 3.708 5.573 0.043 13 0 "[ . 1 . 2]" 1
2 1 2 GLU QB 1 3 ASN H . . 5.540 3.009 2.352 4.031 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU QG 1 3 ASN QB . . 5.420 4.521 3.412 5.499 0.079 9 0 "[ . 1 . 2]" 1
4 1 3 ASN HA 1 4 TYR QD . . 5.700 4.574 3.588 5.901 0.201 8 0 "[ . 1 . 2]" 1
5 1 3 ASN HB2 1 7 PRO HG3 . . 5.800 5.263 3.212 5.962 0.162 5 0 "[ . 1 . 2]" 1
6 1 3 ASN HB3 1 7 PRO HG3 . . 5.800 5.299 2.568 5.874 0.074 15 0 "[ . 1 . 2]" 1
7 1 3 ASN QB 1 4 TYR HA . . 5.550 4.686 4.284 5.396 . 0 0 "[ . 1 . 2]" 1
8 1 3 ASN QB 1 4 TYR HB2 . . 4.880 4.634 4.049 5.033 0.153 2 0 "[ . 1 . 2]" 1
9 1 3 ASN QB 1 4 TYR QD . . 5.390 4.262 2.559 5.490 0.100 8 0 "[ . 1 . 2]" 1
10 1 3 ASN QB 1 7 PRO HG3 . . 5.430 4.583 2.471 5.123 . 0 0 "[ . 1 . 2]" 1
11 1 4 TYR HA 1 4 TYR QD . . 4.310 2.601 2.230 2.859 . 0 0 "[ . 1 . 2]" 1
12 1 4 TYR HA 1 4 TYR QE . . 5.390 4.566 4.394 4.667 . 0 0 "[ . 1 . 2]" 1
13 1 4 TYR HB2 1 5 ASP H . . 5.470 3.525 2.824 4.169 . 0 0 "[ . 1 . 2]" 1
14 1 4 TYR HB2 1 5 ASP HA . . 5.800 5.041 4.551 5.942 0.142 8 0 "[ . 1 . 2]" 1
15 1 4 TYR HB2 1 5 ASP QB . . 5.430 4.297 3.693 5.348 . 0 0 "[ . 1 . 2]" 1
16 1 4 TYR HB3 1 5 ASP H . . 5.490 3.656 1.944 4.540 . 0 0 "[ . 1 . 2]" 1
17 1 4 TYR HB3 1 5 ASP QB . . 5.040 4.452 3.754 5.184 0.144 20 0 "[ . 1 . 2]" 1
18 1 5 ASP H 1 6 ASP H . . 5.390 3.518 2.144 4.629 . 0 0 "[ . 1 . 2]" 1
19 1 5 ASP HA 1 6 ASP H . . 4.350 2.807 2.178 3.514 . 0 0 "[ . 1 . 2]" 1
20 1 5 ASP QB 1 6 ASP H . . 5.210 3.355 2.100 3.726 . 0 0 "[ . 1 . 2]" 1
21 1 6 ASP H 1 7 PRO QD . . 5.130 3.309 2.195 4.395 . 0 0 "[ . 1 . 2]" 1
22 1 6 ASP HA 1 7 PRO HA . . 5.370 4.589 4.366 4.754 . 0 0 "[ . 1 . 2]" 1
23 1 6 ASP HA 1 7 PRO HB2 . . 5.800 5.731 5.567 5.925 0.125 6 0 "[ . 1 . 2]" 1
24 1 6 ASP HA 1 7 PRO HG2 . . 5.300 4.447 4.253 4.563 . 0 0 "[ . 1 . 2]" 1
25 1 6 ASP HA 1 7 PRO HG3 . . 5.330 4.745 4.396 5.172 . 0 0 "[ . 1 . 2]" 1
26 1 6 ASP HA 1 7 PRO QD . . 3.690 2.183 1.954 2.489 . 0 0 "[ . 1 . 2]" 1
27 1 6 ASP HA 1 9 LYS QD . . 5.580 3.486 2.132 5.539 . 0 0 "[ . 1 . 2]" 1
28 1 6 ASP HA 1 9 LYS QG . . 5.620 3.703 2.423 5.499 . 0 0 "[ . 1 . 2]" 1
29 1 6 ASP HB2 1 7 PRO QD . . 5.210 4.075 2.360 4.418 . 0 0 "[ . 1 . 2]" 1
30 1 6 ASP HB3 1 7 PRO QD . . 5.210 3.702 2.447 4.404 . 0 0 "[ . 1 . 2]" 1
31 1 6 ASP QB 1 7 PRO QD . . 4.690 3.344 2.328 3.900 . 0 0 "[ . 1 . 2]" 1
32 1 6 ASP QB 1 9 LYS QB . . 4.600 2.676 2.089 4.099 . 0 0 "[ . 1 . 2]" 1
33 1 6 ASP QB 1 9 LYS QD . . 5.020 3.298 2.064 4.706 . 0 0 "[ . 1 . 2]" 1
34 1 6 ASP QB 1 9 LYS QG . . 4.830 3.654 2.525 4.828 . 0 0 "[ . 1 . 2]" 1
35 1 7 PRO HB2 1 8 HIS HB3 . . 5.730 3.858 3.587 4.185 . 0 0 "[ . 1 . 2]" 1
36 1 7 PRO HB2 1 8 HIS HD2 . . 5.800 5.818 5.386 5.938 0.138 2 0 "[ . 1 . 2]" 1
37 1 7 PRO HG2 1 8 HIS HB2 . . 5.570 5.024 4.675 5.611 0.041 13 0 "[ . 1 . 2]" 1
38 1 7 PRO HG2 1 8 HIS HB3 . . 5.800 4.141 3.524 4.747 . 0 0 "[ . 1 . 2]" 1
39 1 7 PRO HG2 1 8 HIS HD2 . . 4.900 4.258 3.834 4.646 . 0 0 "[ . 1 . 2]" 1
40 1 7 PRO HG2 1 9 LYS QG . . 5.260 3.937 3.220 4.585 . 0 0 "[ . 1 . 2]" 1
41 1 7 PRO HG3 1 9 LYS QG . . 5.740 5.147 4.259 5.821 0.081 4 0 "[ . 1 . 2]" 1
42 1 7 PRO QD 1 8 HIS H . . 5.350 2.845 2.479 4.914 . 0 0 "[ . 1 . 2]" 1
43 1 7 PRO QD 1 8 HIS HD2 . . 5.220 4.803 3.773 5.311 0.091 13 0 "[ . 1 . 2]" 1
44 1 7 PRO QD 1 8 HIS HE1 . . 5.680 4.903 4.469 5.323 . 0 0 "[ . 1 . 2]" 1
45 1 8 HIS HB2 1 9 LYS HA . . 5.490 4.707 3.975 4.890 . 0 0 "[ . 1 . 2]" 1
46 1 8 HIS HB2 1 9 LYS QG . . 5.490 4.804 4.045 5.191 . 0 0 "[ . 1 . 2]" 1
47 1 8 HIS HB3 1 9 LYS HG3 . . 5.800 5.597 5.106 5.851 0.051 20 0 "[ . 1 . 2]" 1
48 1 8 HIS HD2 1 10 THR H . . 5.800 5.339 2.719 5.845 0.045 13 0 "[ . 1 . 2]" 1
49 1 8 HIS HD2 1 9 LYS HA . . 5.800 3.185 2.818 4.024 . 0 0 "[ . 1 . 2]" 1
50 1 8 HIS HD2 1 9 LYS QB . . 5.410 4.249 3.805 4.752 . 0 0 "[ . 1 . 2]" 1
51 1 8 HIS HD2 1 9 LYS QE . . 5.700 4.401 3.404 5.735 0.035 20 0 "[ . 1 . 2]" 1
52 1 9 LYS H 1 10 THR H . . 5.790 4.222 2.339 4.658 . 0 0 "[ . 1 . 2]" 1
53 1 9 LYS HA 1 10 THR H . . 4.460 2.551 2.332 3.288 . 0 0 "[ . 1 . 2]" 1
54 1 9 LYS HA 1 10 THR HA . . 5.350 4.505 4.319 4.767 . 0 0 "[ . 1 . 2]" 1
55 1 9 LYS HB2 1 10 THR H . . 5.540 3.694 3.151 4.304 . 0 0 "[ . 1 . 2]" 1
56 1 9 LYS HB2 1 10 THR HA . . 5.770 4.835 4.609 5.225 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS HB3 1 10 THR H . . 5.540 2.848 2.152 4.535 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS HB3 1 10 THR HA . . 5.770 4.689 4.440 5.087 . 0 0 "[ . 1 . 2]" 1
59 1 9 LYS QB 1 10 THR H . . 5.210 2.667 2.118 3.928 . 0 0 "[ . 1 . 2]" 1
60 1 9 LYS QB 1 10 THR HA . . 5.390 4.231 4.067 4.465 . 0 0 "[ . 1 . 2]" 1
61 1 9 LYS QB 1 10 THR MG . . 5.430 4.348 3.998 4.641 . 0 0 "[ . 1 . 2]" 1
62 1 9 LYS QG 1 10 THR H . . 5.620 3.987 3.777 4.470 . 0 0 "[ . 1 . 2]" 1
63 1 10 THR H 1 11 PRO HD2 . . 5.630 4.858 4.804 4.883 . 0 0 "[ . 1 . 2]" 1
64 1 10 THR HA 1 11 PRO HD2 . . 3.890 2.448 2.399 2.491 . 0 0 "[ . 1 . 2]" 1
65 1 10 THR HA 1 11 PRO HD3 . . 3.960 2.278 2.225 2.349 . 0 0 "[ . 1 . 2]" 1
66 1 10 THR HA 1 11 PRO HG3 . . 5.760 4.517 4.485 4.582 . 0 0 "[ . 1 . 2]" 1
67 1 10 THR HA 1 11 PRO QB . . 5.470 4.471 4.434 4.510 . 0 0 "[ . 1 . 2]" 1
68 1 10 THR HB 1 11 PRO HA . . 5.420 4.868 4.817 4.914 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR HB 1 11 PRO HD2 . . 4.610 2.094 1.993 2.195 . 0 0 "[ . 1 . 2]" 1
70 1 10 THR HB 1 11 PRO HD3 . . 4.710 3.495 3.427 3.574 . 0 0 "[ . 1 . 2]" 1
71 1 10 THR HB 1 11 PRO HG2 . . 5.220 3.930 3.822 4.028 . 0 0 "[ . 1 . 2]" 1
72 1 10 THR HB 1 11 PRO HG3 . . 5.490 4.778 4.664 4.881 . 0 0 "[ . 1 . 2]" 1
73 1 10 THR HB 1 12 ALA H . . 5.110 2.436 2.311 2.568 . 0 0 "[ . 1 . 2]" 1
74 1 10 THR HB 1 12 ALA HA . . 5.410 3.900 3.727 4.033 . 0 0 "[ . 1 . 2]" 1
75 1 10 THR HB 1 12 ALA MB . . 5.690 4.386 4.095 4.650 . 0 0 "[ . 1 . 2]" 1
76 1 10 THR HB 1 85 TYR H . . 5.720 4.727 4.385 5.116 . 0 0 "[ . 1 . 2]" 1
77 1 10 THR HB 1 85 TYR HB2 . . 5.160 3.056 2.115 4.528 . 0 0 "[ . 1 . 2]" 1
78 1 10 THR HB 1 85 TYR QD . . 4.800 2.960 2.422 3.760 . 0 0 "[ . 1 . 2]" 1
79 1 10 THR HB 1 85 TYR QE . . 5.430 4.142 2.743 5.385 . 0 0 "[ . 1 . 2]" 1
80 1 10 THR MG 1 11 PRO HA . . 5.740 5.684 5.618 5.718 . 0 0 "[ . 1 . 2]" 1
81 1 10 THR MG 1 11 PRO HD2 . . 4.260 3.079 2.863 3.163 . 0 0 "[ . 1 . 2]" 1
82 1 10 THR MG 1 11 PRO HD3 . . 4.280 3.761 3.554 3.886 . 0 0 "[ . 1 . 2]" 1
83 1 10 THR MG 1 11 PRO HG2 . . 5.000 5.007 4.833 5.052 0.052 9 0 "[ . 1 . 2]" 1
84 1 10 THR MG 1 11 PRO QB . . 5.600 5.525 5.379 5.582 . 0 0 "[ . 1 . 2]" 1
85 1 10 THR MG 1 12 ALA H . . 5.490 4.096 4.017 4.170 . 0 0 "[ . 1 . 2]" 1
86 1 10 THR MG 1 13 SER H . . 5.740 5.771 5.618 5.864 0.124 17 0 "[ . 1 . 2]" 1
87 1 10 THR MG 1 66 VAL QG . . 5.270 3.805 3.199 4.423 . 0 0 "[ . 1 . 2]" 1
88 1 10 THR MG 1 84 ASN QB . . 5.720 4.425 3.877 5.088 . 0 0 "[ . 1 . 2]" 1
89 1 10 THR MG 1 85 TYR H . . 5.080 3.726 3.246 4.037 . 0 0 "[ . 1 . 2]" 1
90 1 10 THR MG 1 85 TYR HB2 . . 5.000 3.242 2.184 5.004 0.004 15 0 "[ . 1 . 2]" 1
91 1 10 THR MG 1 85 TYR HB3 . . 5.610 4.397 3.468 5.616 0.006 15 0 "[ . 1 . 2]" 1
92 1 10 THR MG 1 85 TYR QD . . 4.490 2.388 2.150 2.996 . 0 0 "[ . 1 . 2]" 1
93 1 10 THR MG 1 85 TYR QE . . 5.380 3.558 2.301 4.847 . 0 0 "[ . 1 . 2]" 1
94 1 10 THR MG 1 86 SER HA . . 5.490 4.507 3.842 5.553 0.063 14 0 "[ . 1 . 2]" 1
95 1 11 PRO HA 1 12 ALA HA . . 5.720 5.260 5.226 5.299 . 0 0 "[ . 1 . 2]" 1
96 1 11 PRO HA 1 12 ALA MB . . 5.030 4.075 4.019 4.134 . 0 0 "[ . 1 . 2]" 1
97 1 11 PRO HA 1 13 SER H . . 5.800 4.627 4.547 4.694 . 0 0 "[ . 1 . 2]" 1
98 1 11 PRO HD2 1 12 ALA HA . . 5.790 4.623 4.435 4.764 . 0 0 "[ . 1 . 2]" 1
99 1 11 PRO HD2 1 85 TYR HB2 . . 5.560 3.346 2.296 4.039 . 0 0 "[ . 1 . 2]" 1
100 1 11 PRO HD2 1 85 TYR HB3 . . 5.690 3.811 2.894 5.126 . 0 0 "[ . 1 . 2]" 1
101 1 11 PRO HD2 1 86 SER H . . 5.450 4.361 4.011 5.062 . 0 0 "[ . 1 . 2]" 1
102 1 11 PRO HD3 1 12 ALA H . . 5.500 3.921 3.804 4.017 . 0 0 "[ . 1 . 2]" 1
103 1 11 PRO HG2 1 12 ALA H . . 4.340 3.009 2.797 3.151 . 0 0 "[ . 1 . 2]" 1
104 1 11 PRO HG2 1 13 SER H . . 4.450 2.262 2.160 2.372 . 0 0 "[ . 1 . 2]" 1
105 1 11 PRO HG2 1 85 TYR HB3 . . 5.800 3.828 2.472 4.837 . 0 0 "[ . 1 . 2]" 1
106 1 11 PRO HG2 1 85 TYR QD . . 5.470 4.672 3.804 5.273 . 0 0 "[ . 1 . 2]" 1
107 1 11 PRO HG3 1 13 SER H . . 5.640 4.010 3.863 4.132 . 0 0 "[ . 1 . 2]" 1
108 1 11 PRO HG3 1 85 TYR HB3 . . 5.800 5.010 3.319 5.846 0.046 11 0 "[ . 1 . 2]" 1
109 1 11 PRO QB 1 12 ALA H . . 4.660 3.758 3.684 3.811 . 0 0 "[ . 1 . 2]" 1
110 1 12 ALA H 1 13 SER H . . 4.860 2.838 2.809 2.859 . 0 0 "[ . 1 . 2]" 1
111 1 12 ALA H 1 85 TYR QD . . 5.130 3.969 3.716 4.177 . 0 0 "[ . 1 . 2]" 1
112 1 12 ALA H 1 85 TYR QE . . 5.110 4.537 3.840 5.056 . 0 0 "[ . 1 . 2]" 1
113 1 12 ALA HA 1 85 TYR HB3 . . 5.800 4.128 3.253 5.325 . 0 0 "[ . 1 . 2]" 1
114 1 12 ALA HA 1 85 TYR QD . . 4.810 3.125 2.840 3.565 . 0 0 "[ . 1 . 2]" 1
115 1 12 ALA HA 1 85 TYR QE . . 5.790 3.041 2.803 3.442 . 0 0 "[ . 1 . 2]" 1
116 1 12 ALA MB 1 13 SER H . . 4.910 3.724 3.714 3.738 . 0 0 "[ . 1 . 2]" 1
117 1 12 ALA MB 1 13 SER HA . . 5.200 4.378 4.285 4.442 . 0 0 "[ . 1 . 2]" 1
118 1 12 ALA MB 1 63 CYS HA . . 5.800 4.553 3.767 5.181 . 0 0 "[ . 1 . 2]" 1
119 1 12 ALA MB 1 66 VAL QG . . 5.770 5.239 4.918 5.490 . 0 0 "[ . 1 . 2]" 1
120 1 12 ALA MB 1 85 TYR HB2 . . 5.800 5.544 5.139 5.845 0.045 14 0 "[ . 1 . 2]" 1
121 1 12 ALA MB 1 85 TYR QD . . 5.470 4.308 4.053 4.663 . 0 0 "[ . 1 . 2]" 1
122 1 12 ALA MB 1 85 TYR QE . . 5.030 3.578 3.289 3.715 . 0 0 "[ . 1 . 2]" 1
123 1 13 SER H 1 15 VAL H . . 5.800 4.530 4.351 4.699 . 0 0 "[ . 1 . 2]" 1
124 1 13 SER H 1 16 VAL QG . . 5.770 5.222 4.993 5.332 . 0 0 "[ . 1 . 2]" 1
125 1 13 SER H 1 59 VAL QG . . 5.260 4.657 4.488 5.090 . 0 0 "[ . 1 . 2]" 1
126 1 13 SER H 1 62 ALA MB . . 5.790 5.139 4.862 5.439 . 0 0 "[ . 1 . 2]" 1
127 1 13 SER H 1 85 TYR HA . . 5.800 5.273 4.705 5.747 . 0 0 "[ . 1 . 2]" 1
128 1 13 SER H 1 85 TYR HB2 . . 5.210 4.270 2.925 5.223 0.013 12 0 "[ . 1 . 2]" 1
129 1 13 SER H 1 85 TYR HB3 . . 5.040 3.620 2.809 4.427 . 0 0 "[ . 1 . 2]" 1
130 1 13 SER H 1 85 TYR QD . . 4.670 3.500 2.991 3.826 . 0 0 "[ . 1 . 2]" 1
131 1 13 SER H 1 85 TYR QE . . 5.410 4.757 4.123 5.246 . 0 0 "[ . 1 . 2]" 1
132 1 13 SER H 1 86 SER H . . 5.770 4.886 4.132 5.883 0.113 17 0 "[ . 1 . 2]" 1
133 1 13 SER HA 1 14 PRO QG . . 5.170 4.087 3.772 4.142 . 0 0 "[ . 1 . 2]" 1
134 1 13 SER HA 1 15 VAL H . . 5.290 3.921 3.809 4.034 . 0 0 "[ . 1 . 2]" 1
135 1 13 SER HA 1 15 VAL QG . . 5.770 5.298 5.184 5.439 . 0 0 "[ . 1 . 2]" 1
136 1 13 SER HA 1 59 VAL HA . . 5.490 5.351 4.972 5.511 0.021 6 0 "[ . 1 . 2]" 1
137 1 13 SER HA 1 59 VAL HB . . 5.220 5.118 4.870 5.256 0.036 10 0 "[ . 1 . 2]" 1
138 1 13 SER HA 1 59 VAL QG . . 4.630 3.135 2.831 3.304 . 0 0 "[ . 1 . 2]" 1
139 1 13 SER HA 1 89 GLN HA . . 5.700 4.697 4.341 5.149 . 0 0 "[ . 1 . 2]" 1
140 1 14 PRO HA 1 56 PHE HB2 . . 5.000 3.491 3.340 3.655 . 0 0 "[ . 1 . 2]" 1
141 1 14 PRO HA 1 59 VAL H . . 5.180 4.988 4.647 5.096 . 0 0 "[ . 1 . 2]" 1
142 1 14 PRO HA 1 59 VAL HA . . 4.430 2.317 2.279 2.393 . 0 0 "[ . 1 . 2]" 1
143 1 14 PRO HA 1 59 VAL QG . . 4.850 2.874 2.739 3.154 . 0 0 "[ . 1 . 2]" 1
144 1 14 PRO HA 1 60 LEU H . . 5.640 5.666 5.608 5.696 0.056 3 0 "[ . 1 . 2]" 1
145 1 14 PRO HA 1 61 GLY H . . 5.800 5.445 5.306 5.600 . 0 0 "[ . 1 . 2]" 1
146 1 14 PRO HA 1 62 ALA H . . 5.040 3.799 3.658 3.996 . 0 0 "[ . 1 . 2]" 1
147 1 14 PRO HA 1 62 ALA HA . . 5.800 4.919 4.778 5.092 . 0 0 "[ . 1 . 2]" 1
148 1 14 PRO HA 1 62 ALA MB . . 4.450 2.141 2.049 2.297 . 0 0 "[ . 1 . 2]" 1
149 1 14 PRO HA 1 63 CYS H . . 5.720 4.860 4.712 5.095 . 0 0 "[ . 1 . 2]" 1
150 1 14 PRO QB 1 15 VAL QG . . 5.060 3.427 2.878 3.544 . 0 0 "[ . 1 . 2]" 1
151 1 14 PRO QB 1 56 PHE H . . 5.020 3.336 3.186 3.537 . 0 0 "[ . 1 . 2]" 1
152 1 14 PRO QB 1 56 PHE HB3 . . 5.560 4.525 4.330 4.762 . 0 0 "[ . 1 . 2]" 1
153 1 14 PRO QB 1 56 PHE QD . . 5.800 4.784 4.639 4.949 . 0 0 "[ . 1 . 2]" 1
154 1 14 PRO QB 1 58 ASP HA . . 5.130 4.072 3.606 4.272 . 0 0 "[ . 1 . 2]" 1
155 1 14 PRO QB 1 59 VAL H . . 5.240 3.626 3.382 4.175 . 0 0 "[ . 1 . 2]" 1
156 1 14 PRO QB 1 59 VAL HA . . 4.780 2.312 2.181 2.932 . 0 0 "[ . 1 . 2]" 1
157 1 14 PRO QB 1 62 ALA H . . 5.720 4.766 4.627 5.097 . 0 0 "[ . 1 . 2]" 1
158 1 14 PRO QB 1 62 ALA MB . . 5.140 3.532 3.446 3.672 . 0 0 "[ . 1 . 2]" 1
159 1 14 PRO QD 1 15 VAL H . . 4.990 2.974 2.806 3.127 . 0 0 "[ . 1 . 2]" 1
160 1 14 PRO QD 1 15 VAL QG . . 5.030 3.562 3.268 3.653 . 0 0 "[ . 1 . 2]" 1
161 1 14 PRO QD 1 89 GLN HA . . 5.080 3.021 2.786 3.263 . 0 0 "[ . 1 . 2]" 1
162 1 14 PRO QG 1 15 VAL H . . 4.950 3.262 3.034 4.260 . 0 0 "[ . 1 . 2]" 1
163 1 14 PRO QG 1 15 VAL QG . . 4.200 2.516 2.352 4.119 . 0 0 "[ . 1 . 2]" 1
164 1 14 PRO QG 1 56 PHE H . . 5.800 4.767 4.608 5.475 . 0 0 "[ . 1 . 2]" 1
165 1 14 PRO QG 1 89 GLN HA . . 5.640 3.554 2.833 4.773 . 0 0 "[ . 1 . 2]" 1
166 1 14 PRO QG 1 90 LYS QB . . 5.740 5.135 4.347 5.772 0.032 11 0 "[ . 1 . 2]" 1
167 1 15 VAL H 1 15 VAL QG . . 4.280 2.721 2.624 2.818 . 0 0 "[ . 1 . 2]" 1
168 1 15 VAL H 1 16 VAL H . . 5.410 4.476 4.436 4.509 . 0 0 "[ . 1 . 2]" 1
169 1 15 VAL H 1 16 VAL QG . . 5.470 3.991 3.873 4.174 . 0 0 "[ . 1 . 2]" 1
170 1 15 VAL H 1 55 GLU HA . . 5.630 4.864 4.758 4.982 . 0 0 "[ . 1 . 2]" 1
171 1 15 VAL H 1 56 PHE H . . 5.580 4.965 4.905 5.075 . 0 0 "[ . 1 . 2]" 1
172 1 15 VAL H 1 62 ALA MB . . 5.220 3.686 3.504 3.859 . 0 0 "[ . 1 . 2]" 1
173 1 15 VAL H 1 85 TYR QD . . 5.650 4.682 4.276 5.040 . 0 0 "[ . 1 . 2]" 1
174 1 15 VAL H 1 89 GLN HA . . 5.350 3.420 3.146 3.754 . 0 0 "[ . 1 . 2]" 1
175 1 15 VAL HA 1 16 VAL H . . 4.000 2.209 2.189 2.233 . 0 0 "[ . 1 . 2]" 1
176 1 15 VAL HA 1 16 VAL QG . . 5.130 3.199 3.164 3.237 . 0 0 "[ . 1 . 2]" 1
177 1 15 VAL HA 1 54 VAL H . . 5.350 4.486 4.384 4.554 . 0 0 "[ . 1 . 2]" 1
178 1 15 VAL HA 1 54 VAL HB . . 5.580 5.006 4.931 5.138 . 0 0 "[ . 1 . 2]" 1
179 1 15 VAL HA 1 54 VAL QG . . 5.530 4.463 4.406 4.507 . 0 0 "[ . 1 . 2]" 1
180 1 15 VAL HA 1 55 GLU H . . 5.760 4.865 4.792 4.940 . 0 0 "[ . 1 . 2]" 1
181 1 15 VAL HA 1 55 GLU QB . . 5.240 3.932 3.747 4.082 . 0 0 "[ . 1 . 2]" 1
182 1 15 VAL HA 1 56 PHE H . . 4.910 3.250 3.207 3.309 . 0 0 "[ . 1 . 2]" 1
183 1 15 VAL HA 1 56 PHE QD . . 5.510 3.599 3.502 3.745 . 0 0 "[ . 1 . 2]" 1
184 1 15 VAL HB 1 16 VAL H . . 5.530 4.109 4.050 4.154 . 0 0 "[ . 1 . 2]" 1
185 1 15 VAL HB 1 54 VAL H . . 6.000 5.979 5.818 6.033 0.033 17 0 "[ . 1 . 2]" 1
186 1 15 VAL HB 1 86 SER H . . 5.800 5.233 4.619 5.869 0.069 15 0 "[ . 1 . 2]" 1
187 1 15 VAL HB 1 88 SER QB . . 5.320 3.203 2.627 4.079 . 0 0 "[ . 1 . 2]" 1
188 1 15 VAL HB 1 89 GLN HA . . 5.800 2.741 2.321 3.078 . 0 0 "[ . 1 . 2]" 1
189 1 15 VAL HB 1 90 LYS H . . 5.620 4.035 3.675 4.249 . 0 0 "[ . 1 . 2]" 1
190 1 15 VAL HB 1 90 LYS HA . . 5.440 4.969 4.485 5.377 . 0 0 "[ . 1 . 2]" 1
191 1 15 VAL MG1 1 55 GLU H . . 5.600 4.412 4.160 4.560 . 0 0 "[ . 1 . 2]" 1
192 1 15 VAL MG1 1 55 GLU HA . . 5.020 3.215 2.998 3.339 . 0 0 "[ . 1 . 2]" 1
193 1 15 VAL MG1 1 55 GLU HB2 . . 5.810 3.273 3.017 3.407 . 0 0 "[ . 1 . 2]" 1
194 1 15 VAL MG1 1 55 GLU HB3 . . 5.810 4.705 4.445 4.829 . 0 0 "[ . 1 . 2]" 1
195 1 15 VAL MG1 1 56 PHE H . . 5.510 4.828 4.662 4.957 . 0 0 "[ . 1 . 2]" 1
196 1 15 VAL MG1 1 88 SER HB2 . . 5.290 3.065 2.367 3.914 . 0 0 "[ . 1 . 2]" 1
197 1 15 VAL MG1 1 88 SER HB3 . . 5.290 2.877 2.306 3.802 . 0 0 "[ . 1 . 2]" 1
198 1 15 VAL MG1 1 90 LYS H . . 5.320 3.686 3.152 4.052 . 0 0 "[ . 1 . 2]" 1
199 1 15 VAL MG1 1 90 LYS HA . . 5.070 4.325 3.906 4.579 . 0 0 "[ . 1 . 2]" 1
200 1 15 VAL MG1 1 90 LYS QD . . 5.800 5.567 5.267 5.805 0.005 2 0 "[ . 1 . 2]" 1
201 1 15 VAL MG1 1 91 ILE H . . 5.210 4.292 3.961 4.603 . 0 0 "[ . 1 . 2]" 1
202 1 15 VAL MG2 1 55 GLU H . . 5.600 4.437 4.349 4.568 . 0 0 "[ . 1 . 2]" 1
203 1 15 VAL MG2 1 55 GLU HA . . 5.020 2.301 2.164 2.515 . 0 0 "[ . 1 . 2]" 1
204 1 15 VAL MG2 1 55 GLU QB . . 5.810 2.320 2.227 2.481 . 0 0 "[ . 1 . 2]" 1
205 1 15 VAL MG2 1 56 PHE H . . 5.510 3.651 3.507 3.844 . 0 0 "[ . 1 . 2]" 1
206 1 15 VAL MG2 1 88 SER HB2 . . 5.290 4.576 3.762 5.350 0.060 11 0 "[ . 1 . 2]" 1
207 1 15 VAL MG2 1 90 LYS H . . 5.320 2.910 2.792 3.079 . 0 0 "[ . 1 . 2]" 1
208 1 15 VAL MG2 1 90 LYS HA . . 5.070 2.572 2.244 2.875 . 0 0 "[ . 1 . 2]" 1
209 1 15 VAL MG2 1 90 LYS QD . . 5.800 4.162 3.867 4.461 . 0 0 "[ . 1 . 2]" 1
210 1 15 VAL MG2 1 91 ILE H . . 5.210 3.267 2.917 3.578 . 0 0 "[ . 1 . 2]" 1
211 1 15 VAL QG 1 16 VAL H . . 4.340 2.416 2.373 2.461 . 0 0 "[ . 1 . 2]" 1
212 1 15 VAL QG 1 16 VAL HA . . 5.370 3.498 3.432 3.580 . 0 0 "[ . 1 . 2]" 1
213 1 15 VAL QG 1 17 HIS H . . 5.470 4.518 4.385 4.637 . 0 0 "[ . 1 . 2]" 1
214 1 15 VAL QG 1 17 HIS HA . . 5.460 4.400 4.313 4.485 . 0 0 "[ . 1 . 2]" 1
215 1 15 VAL QG 1 17 HIS HD2 . . 5.770 5.423 5.247 5.582 . 0 0 "[ . 1 . 2]" 1
216 1 15 VAL QG 1 17 HIS QB . . 5.710 4.329 4.065 4.541 . 0 0 "[ . 1 . 2]" 1
217 1 15 VAL QG 1 42 TYR QD . . 5.770 5.262 4.743 5.640 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL QG 1 53 LEU HA . . 5.010 3.997 3.893 4.130 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL QG 1 53 LEU QD . . 4.470 2.291 2.151 2.432 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL QG 1 54 VAL H . . 4.330 3.005 2.925 3.054 . 0 0 "[ . 1 . 2]" 1
221 1 15 VAL QG 1 55 GLU H . . 5.010 3.940 3.828 4.066 . 0 0 "[ . 1 . 2]" 1
222 1 15 VAL QG 1 55 GLU HA . . 4.590 2.252 2.133 2.445 . 0 0 "[ . 1 . 2]" 1
223 1 15 VAL QG 1 55 GLU QB . . 4.350 2.269 2.175 2.398 . 0 0 "[ . 1 . 2]" 1
224 1 15 VAL QG 1 55 GLU QG . . 4.280 2.083 2.031 2.163 . 0 0 "[ . 1 . 2]" 1
225 1 15 VAL QG 1 56 PHE QD . . 5.770 4.455 4.353 4.605 . 0 0 "[ . 1 . 2]" 1
226 1 15 VAL QG 1 88 SER H . . 5.760 4.465 4.012 5.074 . 0 0 "[ . 1 . 2]" 1
227 1 15 VAL QG 1 88 SER QB . . 4.170 2.456 2.155 2.915 . 0 0 "[ . 1 . 2]" 1
228 1 15 VAL QG 1 89 GLN HA . . 5.000 2.767 2.465 3.199 . 0 0 "[ . 1 . 2]" 1
229 1 15 VAL QG 1 89 GLN HG2 . . 5.770 4.866 4.549 5.034 . 0 0 "[ . 1 . 2]" 1
230 1 15 VAL QG 1 89 GLN HG3 . . 5.670 4.702 4.593 5.658 . 0 0 "[ . 1 . 2]" 1
231 1 15 VAL QG 1 90 LYS H . . 4.640 2.801 2.707 2.990 . 0 0 "[ . 1 . 2]" 1
232 1 15 VAL QG 1 90 LYS HA . . 4.270 2.552 2.232 2.846 . 0 0 "[ . 1 . 2]" 1
233 1 15 VAL QG 1 90 LYS HG3 . . 5.680 5.011 4.753 5.562 . 0 0 "[ . 1 . 2]" 1
234 1 15 VAL QG 1 90 LYS QB . . 5.200 3.858 3.678 4.092 . 0 0 "[ . 1 . 2]" 1
235 1 15 VAL QG 1 90 LYS QD . . 5.340 4.050 3.774 4.322 . 0 0 "[ . 1 . 2]" 1
236 1 15 VAL QG 1 90 LYS QE . . 5.770 4.159 3.687 5.553 . 0 0 "[ . 1 . 2]" 1
237 1 15 VAL QG 1 91 ILE H . . 4.820 3.169 2.858 3.452 . 0 0 "[ . 1 . 2]" 1
238 1 16 VAL H 1 16 VAL MG2 . . 4.380 2.185 2.159 2.214 . 0 0 "[ . 1 . 2]" 1
239 1 16 VAL H 1 16 VAL QG . . 3.930 2.124 2.102 2.155 . 0 0 "[ . 1 . 2]" 1
240 1 16 VAL H 1 18 ILE MD . . 5.290 4.719 4.135 5.148 . 0 0 "[ . 1 . 2]" 1
241 1 16 VAL H 1 34 LEU QD . . 5.710 5.646 4.893 5.760 0.050 19 0 "[ . 1 . 2]" 1
242 1 16 VAL H 1 53 LEU HA . . 5.800 4.719 4.589 4.910 . 0 0 "[ . 1 . 2]" 1
243 1 16 VAL H 1 53 LEU QD . . 5.770 3.971 3.749 4.059 . 0 0 "[ . 1 . 2]" 1
244 1 16 VAL H 1 54 VAL H . . 4.730 2.959 2.879 3.025 . 0 0 "[ . 1 . 2]" 1
245 1 16 VAL H 1 54 VAL HB . . 5.050 3.523 3.452 3.613 . 0 0 "[ . 1 . 2]" 1
246 1 16 VAL H 1 54 VAL MG1 . . 5.680 4.160 4.033 4.237 . 0 0 "[ . 1 . 2]" 1
247 1 16 VAL H 1 54 VAL QG . . 5.130 3.927 3.839 3.980 . 0 0 "[ . 1 . 2]" 1
248 1 16 VAL H 1 56 PHE HB2 . . 6.000 6.061 6.029 6.083 0.083 13 0 "[ . 1 . 2]" 1
249 1 16 VAL H 1 56 PHE QD . . 5.060 3.974 3.934 4.014 . 0 0 "[ . 1 . 2]" 1
250 1 16 VAL H 1 62 ALA HA . . 5.800 5.827 5.769 5.865 0.065 5 0 "[ . 1 . 2]" 1
251 1 16 VAL H 1 62 ALA MB . . 5.070 4.260 4.187 4.372 . 0 0 "[ . 1 . 2]" 1
252 1 16 VAL H 1 85 TYR HA . . 5.740 5.251 5.057 5.485 . 0 0 "[ . 1 . 2]" 1
253 1 16 VAL HA 1 17 HIS H . . 4.020 2.251 2.169 2.343 . 0 0 "[ . 1 . 2]" 1
254 1 16 VAL HA 1 18 ILE MD . . 5.660 4.936 4.496 5.219 . 0 0 "[ . 1 . 2]" 1
255 1 16 VAL HA 1 62 ALA MB . . 5.300 4.610 4.469 4.715 . 0 0 "[ . 1 . 2]" 1
256 1 16 VAL HA 1 66 VAL QG . . 5.490 4.131 3.893 4.322 . 0 0 "[ . 1 . 2]" 1
257 1 16 VAL HA 1 83 VAL QG . . 5.420 4.082 3.915 4.198 . 0 0 "[ . 1 . 2]" 1
258 1 16 VAL HA 1 84 ASN H . . 5.500 4.660 4.529 4.770 . 0 0 "[ . 1 . 2]" 1
259 1 16 VAL HA 1 85 TYR H . . 5.360 4.750 4.417 4.979 . 0 0 "[ . 1 . 2]" 1
260 1 16 VAL HA 1 85 TYR HA . . 4.660 2.448 2.259 2.593 . 0 0 "[ . 1 . 2]" 1
261 1 16 VAL HA 1 85 TYR HB2 . . 5.770 4.888 3.590 5.517 . 0 0 "[ . 1 . 2]" 1
262 1 16 VAL HA 1 85 TYR HB3 . . 5.620 3.877 2.221 4.609 . 0 0 "[ . 1 . 2]" 1
263 1 16 VAL HA 1 85 TYR QD . . 5.220 4.312 4.025 4.507 . 0 0 "[ . 1 . 2]" 1
264 1 16 VAL HA 1 88 SER QB . . 5.740 5.192 4.698 5.762 0.022 5 0 "[ . 1 . 2]" 1
265 1 16 VAL HB 1 17 HIS QB . . 5.740 4.590 4.497 4.680 . 0 0 "[ . 1 . 2]" 1
266 1 16 VAL HB 1 18 ILE MD . . 5.160 3.620 3.479 3.763 . 0 0 "[ . 1 . 2]" 1
267 1 16 VAL HB 1 54 VAL H . . 5.750 5.314 5.186 5.410 . 0 0 "[ . 1 . 2]" 1
268 1 16 VAL HB 1 54 VAL HB . . 5.550 4.832 4.697 4.989 . 0 0 "[ . 1 . 2]" 1
269 1 16 VAL HB 1 54 VAL QG . . 5.770 5.016 4.910 5.147 . 0 0 "[ . 1 . 2]" 1
270 1 16 VAL HB 1 56 PHE QE . . 5.520 4.656 4.436 4.812 . 0 0 "[ . 1 . 2]" 1
271 1 16 VAL HB 1 62 ALA HA . . 5.800 5.525 5.322 5.709 . 0 0 "[ . 1 . 2]" 1
272 1 16 VAL HB 1 65 ALA MB . . 5.370 4.401 4.278 4.522 . 0 0 "[ . 1 . 2]" 1
273 1 16 VAL HB 1 66 VAL QG . . 5.090 3.097 2.993 3.210 . 0 0 "[ . 1 . 2]" 1
274 1 16 VAL HB 1 83 VAL HB . . 5.740 4.908 4.726 5.094 . 0 0 "[ . 1 . 2]" 1
275 1 16 VAL HB 1 83 VAL QG . . 4.540 2.205 2.077 2.319 . 0 0 "[ . 1 . 2]" 1
276 1 16 VAL HB 1 84 ASN H . . 5.580 3.307 3.158 3.560 . 0 0 "[ . 1 . 2]" 1
277 1 16 VAL HB 1 85 TYR HA . . 5.640 3.684 3.463 4.137 . 0 0 "[ . 1 . 2]" 1
278 1 16 VAL HB 1 85 TYR HB3 . . 5.800 5.228 3.697 5.900 0.100 6 0 "[ . 1 . 2]" 1
279 1 16 VAL MG1 1 56 PHE H . . 5.800 4.837 4.595 5.061 . 0 0 "[ . 1 . 2]" 1
280 1 16 VAL MG1 1 62 ALA HA . . 4.640 2.878 2.648 3.074 . 0 0 "[ . 1 . 2]" 1
281 1 16 VAL MG1 1 62 ALA MB . . 4.640 2.046 2.001 2.100 . 0 0 "[ . 1 . 2]" 1
282 1 16 VAL MG1 1 66 VAL HA . . 5.800 4.862 4.632 5.102 . 0 0 "[ . 1 . 2]" 1
283 1 16 VAL MG1 1 84 ASN H . . 5.790 4.545 4.407 4.747 . 0 0 "[ . 1 . 2]" 1
284 1 16 VAL MG2 1 17 HIS H . . 5.250 3.644 3.461 3.798 . 0 0 "[ . 1 . 2]" 1
285 1 16 VAL MG2 1 56 PHE H . . 5.800 4.720 4.600 4.791 . 0 0 "[ . 1 . 2]" 1
286 1 16 VAL MG2 1 62 ALA HA . . 4.640 3.824 3.703 4.022 . 0 0 "[ . 1 . 2]" 1
287 1 16 VAL MG2 1 62 ALA MB . . 4.640 3.573 3.450 3.764 . 0 0 "[ . 1 . 2]" 1
288 1 16 VAL MG2 1 84 ASN H . . 5.790 4.364 4.245 4.615 . 0 0 "[ . 1 . 2]" 1
289 1 16 VAL QG 1 17 HIS H . . 4.480 3.295 3.200 3.386 . 0 0 "[ . 1 . 2]" 1
290 1 16 VAL QG 1 18 ILE H . . 5.370 4.726 4.584 4.862 . 0 0 "[ . 1 . 2]" 1
291 1 16 VAL QG 1 18 ILE MD . . 3.770 2.279 2.066 2.465 . 0 0 "[ . 1 . 2]" 1
292 1 16 VAL QG 1 37 PHE HB2 . . 5.770 5.529 5.367 5.629 . 0 0 "[ . 1 . 2]" 1
293 1 16 VAL QG 1 53 LEU HA . . 5.320 4.223 4.071 4.405 . 0 0 "[ . 1 . 2]" 1
294 1 16 VAL QG 1 54 VAL H . . 4.560 3.125 2.947 3.272 . 0 0 "[ . 1 . 2]" 1
295 1 16 VAL QG 1 54 VAL HA . . 5.330 4.387 4.222 4.520 . 0 0 "[ . 1 . 2]" 1
296 1 16 VAL QG 1 54 VAL HB . . 3.950 2.153 2.022 2.272 . 0 0 "[ . 1 . 2]" 1
297 1 16 VAL QG 1 54 VAL QG . . 4.180 2.725 2.605 2.835 . 0 0 "[ . 1 . 2]" 1
298 1 16 VAL QG 1 55 GLU HA . . 5.770 4.181 3.990 4.344 . 0 0 "[ . 1 . 2]" 1
299 1 16 VAL QG 1 56 PHE H . . 5.390 4.252 4.134 4.360 . 0 0 "[ . 1 . 2]" 1
300 1 16 VAL QG 1 56 PHE HB2 . . 5.700 4.482 4.382 4.568 . 0 0 "[ . 1 . 2]" 1
301 1 16 VAL QG 1 56 PHE QE . . 4.140 2.071 2.024 2.142 . 0 0 "[ . 1 . 2]" 1
302 1 16 VAL QG 1 62 ALA HA . . 4.280 2.794 2.610 2.942 . 0 0 "[ . 1 . 2]" 1
303 1 16 VAL QG 1 62 ALA MB . . 4.020 2.034 1.989 2.090 . 0 0 "[ . 1 . 2]" 1
304 1 16 VAL QG 1 65 ALA H . . 5.770 4.224 4.143 4.323 . 0 0 "[ . 1 . 2]" 1
305 1 16 VAL QG 1 66 VAL HA . . 5.010 4.623 4.451 4.820 . 0 0 "[ . 1 . 2]" 1
306 1 16 VAL QG 1 66 VAL HB . . 5.240 4.273 4.179 4.456 . 0 0 "[ . 1 . 2]" 1
307 1 16 VAL QG 1 66 VAL QG . . 3.900 2.196 2.090 2.364 . 0 0 "[ . 1 . 2]" 1
308 1 16 VAL QG 1 83 VAL HA . . 5.660 4.547 4.460 4.670 . 0 0 "[ . 1 . 2]" 1
309 1 16 VAL QG 1 83 VAL QG . . 3.540 2.100 2.054 2.150 . 0 0 "[ . 1 . 2]" 1
310 1 16 VAL QG 1 84 ASN H . . 5.130 3.963 3.862 4.167 . 0 0 "[ . 1 . 2]" 1
311 1 16 VAL QG 1 84 ASN HA . . 5.460 4.097 3.876 4.205 . 0 0 "[ . 1 . 2]" 1
312 1 16 VAL QG 1 85 TYR H . . 5.140 3.872 3.641 4.032 . 0 0 "[ . 1 . 2]" 1
313 1 16 VAL QG 1 85 TYR HA . . 4.730 2.726 2.202 3.687 . 0 0 "[ . 1 . 2]" 1
314 1 16 VAL QG 1 85 TYR HB2 . . 5.680 4.385 3.662 4.832 . 0 0 "[ . 1 . 2]" 1
315 1 16 VAL QG 1 85 TYR QD . . 4.150 2.649 2.412 2.927 . 0 0 "[ . 1 . 2]" 1
316 1 16 VAL QG 1 85 TYR QE . . 4.860 3.748 3.421 4.306 . 0 0 "[ . 1 . 2]" 1
317 1 17 HIS H 1 17 HIS HD2 . . 5.670 5.132 5.029 5.280 . 0 0 "[ . 1 . 2]" 1
318 1 17 HIS H 1 18 ILE MD . . 5.430 4.053 3.625 4.431 . 0 0 "[ . 1 . 2]" 1
319 1 17 HIS H 1 53 LEU HA . . 5.800 5.213 5.121 5.278 . 0 0 "[ . 1 . 2]" 1
320 1 17 HIS H 1 66 VAL QG . . 5.430 4.418 4.186 4.590 . 0 0 "[ . 1 . 2]" 1
321 1 17 HIS H 1 83 VAL HA . . 5.740 4.726 4.377 4.979 . 0 0 "[ . 1 . 2]" 1
322 1 17 HIS H 1 83 VAL QG . . 5.190 3.429 3.044 3.663 . 0 0 "[ . 1 . 2]" 1
323 1 17 HIS H 1 84 ASN H . . 4.780 3.046 2.805 3.215 . 0 0 "[ . 1 . 2]" 1
324 1 17 HIS H 1 84 ASN HB3 . . 5.800 5.391 4.599 5.894 0.094 4 0 "[ . 1 . 2]" 1
325 1 17 HIS H 1 84 ASN QB . . 5.450 4.780 4.437 5.019 . 0 0 "[ . 1 . 2]" 1
326 1 17 HIS H 1 85 TYR H . . 5.460 4.755 4.507 4.860 . 0 0 "[ . 1 . 2]" 1
327 1 17 HIS H 1 85 TYR HA . . 4.660 3.261 2.886 3.549 . 0 0 "[ . 1 . 2]" 1
328 1 17 HIS H 1 85 TYR HB3 . . 5.450 5.150 3.936 5.630 0.180 20 0 "[ . 1 . 2]" 1
329 1 17 HIS H 1 85 TYR QD . . 5.800 5.668 5.436 5.822 0.022 6 0 "[ . 1 . 2]" 1
330 1 17 HIS H 1 86 SER H . . 5.400 4.277 4.033 4.553 . 0 0 "[ . 1 . 2]" 1
331 1 17 HIS H 1 88 SER QB . . 5.740 5.799 5.591 5.929 0.189 6 0 "[ . 1 . 2]" 1
332 1 17 HIS HA 1 17 HIS HD2 . . 4.680 2.673 2.508 2.898 . 0 0 "[ . 1 . 2]" 1
333 1 17 HIS HA 1 52 ALA H . . 5.560 4.629 4.516 4.763 . 0 0 "[ . 1 . 2]" 1
334 1 17 HIS HA 1 53 LEU H . . 5.800 5.304 5.180 5.409 . 0 0 "[ . 1 . 2]" 1
335 1 17 HIS HA 1 53 LEU HA . . 5.000 2.744 2.625 2.868 . 0 0 "[ . 1 . 2]" 1
336 1 17 HIS HA 1 54 VAL H . . 5.260 3.939 3.723 4.112 . 0 0 "[ . 1 . 2]" 1
337 1 17 HIS HA 1 88 SER QB . . 5.740 5.736 5.476 5.862 0.122 18 0 "[ . 1 . 2]" 1
338 1 17 HIS HB2 1 86 SER H . . 5.690 4.716 3.878 5.241 . 0 0 "[ . 1 . 2]" 1
339 1 17 HIS HB3 1 86 SER H . . 5.690 4.956 4.067 5.470 . 0 0 "[ . 1 . 2]" 1
340 1 17 HIS HD2 1 51 GLN HB3 . . 5.340 3.706 3.550 3.831 . 0 0 "[ . 1 . 2]" 1
341 1 17 HIS HD2 1 52 ALA H . . 5.160 3.965 3.797 4.237 . 0 0 "[ . 1 . 2]" 1
342 1 17 HIS HD2 1 52 ALA MB . . 5.800 5.325 5.143 5.626 . 0 0 "[ . 1 . 2]" 1
343 1 17 HIS HD2 1 53 LEU H . . 5.800 5.361 5.106 5.685 . 0 0 "[ . 1 . 2]" 1
344 1 17 HIS HD2 1 53 LEU HA . . 5.710 3.843 3.550 4.144 . 0 0 "[ . 1 . 2]" 1
345 1 17 HIS HD2 1 53 LEU MD1 . . 5.600 3.656 2.236 3.947 . 0 0 "[ . 1 . 2]" 1
346 1 17 HIS HD2 1 53 LEU MD2 . . 5.600 2.575 2.242 4.219 . 0 0 "[ . 1 . 2]" 1
347 1 17 HIS HD2 1 53 LEU QD . . 5.270 2.360 2.227 2.490 . 0 0 "[ . 1 . 2]" 1
348 1 17 HIS HE1 1 19 ARG HB3 . . 5.800 4.909 4.623 5.111 . 0 0 "[ . 1 . 2]" 1
349 1 17 HIS HE1 1 19 ARG HG2 . . 5.800 2.625 2.286 2.889 . 0 0 "[ . 1 . 2]" 1
350 1 17 HIS HE1 1 19 ARG HG3 . . 5.800 3.764 3.274 4.043 . 0 0 "[ . 1 . 2]" 1
351 1 17 HIS QB 1 83 VAL QG . . 5.710 4.451 4.293 4.555 . 0 0 "[ . 1 . 2]" 1
352 1 17 HIS QB 1 84 ASN H . . 5.240 3.624 3.451 3.763 . 0 0 "[ . 1 . 2]" 1
353 1 17 HIS QB 1 85 TYR HA . . 5.740 4.339 3.475 4.884 . 0 0 "[ . 1 . 2]" 1
354 1 17 HIS QB 1 88 SER QB . . 5.660 4.501 4.097 4.766 . 0 0 "[ . 1 . 2]" 1
355 1 18 ILE H 1 18 ILE MD . . 5.160 3.061 2.376 3.436 . 0 0 "[ . 1 . 2]" 1
356 1 18 ILE H 1 34 LEU QD . . 5.680 5.701 5.557 5.753 0.073 1 0 "[ . 1 . 2]" 1
357 1 18 ILE H 1 53 LEU HA . . 5.760 3.393 3.217 3.499 . 0 0 "[ . 1 . 2]" 1
358 1 18 ILE H 1 54 VAL QG . . 5.520 4.739 4.612 4.951 . 0 0 "[ . 1 . 2]" 1
359 1 18 ILE HA 1 18 ILE MD . . 4.420 2.444 2.147 3.028 . 0 0 "[ . 1 . 2]" 1
360 1 18 ILE HA 1 19 ARG HG3 . . 5.040 3.439 3.370 3.526 . 0 0 "[ . 1 . 2]" 1
361 1 18 ILE HA 1 81 ALA MB . . 5.620 5.132 4.991 5.249 . 0 0 "[ . 1 . 2]" 1
362 1 18 ILE HA 1 82 PHE H . . 5.560 4.761 4.657 4.831 . 0 0 "[ . 1 . 2]" 1
363 1 18 ILE HA 1 82 PHE HB2 . . 5.620 5.228 5.113 5.322 . 0 0 "[ . 1 . 2]" 1
364 1 18 ILE HA 1 83 VAL H . . 5.720 4.936 4.797 5.043 . 0 0 "[ . 1 . 2]" 1
365 1 18 ILE HA 1 83 VAL HA . . 5.070 2.434 2.260 2.592 . 0 0 "[ . 1 . 2]" 1
366 1 18 ILE HA 1 83 VAL HB . . 5.490 3.243 3.063 3.368 . 0 0 "[ . 1 . 2]" 1
367 1 18 ILE HA 1 83 VAL MG1 . . 5.350 4.662 4.530 4.747 . 0 0 "[ . 1 . 2]" 1
368 1 18 ILE HA 1 83 VAL MG2 . . 5.350 3.300 3.100 3.430 . 0 0 "[ . 1 . 2]" 1
369 1 18 ILE HA 1 83 VAL QG . . 4.850 3.234 3.053 3.354 . 0 0 "[ . 1 . 2]" 1
370 1 18 ILE HA 1 84 ASN H . . 5.490 3.875 3.716 4.067 . 0 0 "[ . 1 . 2]" 1
371 1 18 ILE MD 1 34 LEU MD1 . . 4.190 2.366 2.061 2.886 . 0 0 "[ . 1 . 2]" 1
372 1 18 ILE MD 1 34 LEU QD . . 3.570 2.271 2.039 2.708 . 0 0 "[ . 1 . 2]" 1
373 1 18 ILE MD 1 53 LEU HA . . 5.160 3.760 2.631 4.497 . 0 0 "[ . 1 . 2]" 1
374 1 18 ILE MD 1 54 VAL H . . 5.100 3.795 2.973 4.400 . 0 0 "[ . 1 . 2]" 1
375 1 18 ILE MD 1 54 VAL HA . . 5.790 4.910 4.218 5.414 . 0 0 "[ . 1 . 2]" 1
376 1 18 ILE MD 1 54 VAL QG . . 5.060 2.339 2.000 2.724 . 0 0 "[ . 1 . 2]" 1
377 1 18 ILE MD 1 56 PHE QE . . 5.180 4.469 4.281 4.730 . 0 0 "[ . 1 . 2]" 1
378 1 18 ILE MD 1 83 VAL HA . . 4.420 3.216 2.828 4.018 . 0 0 "[ . 1 . 2]" 1
379 1 18 ILE MD 1 83 VAL QG . . 3.690 2.072 1.941 2.421 . 0 0 "[ . 1 . 2]" 1
380 1 18 ILE MD 1 84 ASN H . . 4.900 3.855 3.648 4.316 . 0 0 "[ . 1 . 2]" 1
381 1 19 ARG H 1 19 ARG HG2 . . 5.660 3.981 3.932 4.063 . 0 0 "[ . 1 . 2]" 1
382 1 19 ARG H 1 20 GLY H . . 5.300 4.449 4.436 4.465 . 0 0 "[ . 1 . 2]" 1
383 1 19 ARG H 1 21 LEU H . . 5.800 5.060 4.967 5.166 . 0 0 "[ . 1 . 2]" 1
384 1 19 ARG H 1 21 LEU QD . . 5.670 4.024 3.761 4.173 . 0 0 "[ . 1 . 2]" 1
385 1 19 ARG H 1 76 ILE MD . . 5.560 4.325 4.146 4.464 . 0 0 "[ . 1 . 2]" 1
386 1 19 ARG H 1 81 ALA MB . . 5.390 3.787 3.670 3.858 . 0 0 "[ . 1 . 2]" 1
387 1 19 ARG H 1 82 PHE H . . 4.640 2.979 2.898 3.026 . 0 0 "[ . 1 . 2]" 1
388 1 19 ARG H 1 82 PHE HB2 . . 5.400 3.692 3.603 3.766 . 0 0 "[ . 1 . 2]" 1
389 1 19 ARG H 1 82 PHE HB3 . . 5.660 4.827 4.722 4.903 . 0 0 "[ . 1 . 2]" 1
390 1 19 ARG HA 1 20 GLY H . . 4.250 2.385 2.362 2.428 . 0 0 "[ . 1 . 2]" 1
391 1 19 ARG HA 1 20 GLY HA2 . . 5.480 4.583 4.567 4.619 . 0 0 "[ . 1 . 2]" 1
392 1 19 ARG HA 1 20 GLY HA3 . . 5.450 4.564 4.549 4.578 . 0 0 "[ . 1 . 2]" 1
393 1 19 ARG HA 1 21 LEU H . . 4.970 3.557 3.490 3.609 . 0 0 "[ . 1 . 2]" 1
394 1 19 ARG HA 1 21 LEU HG . . 5.800 3.584 3.419 3.667 . 0 0 "[ . 1 . 2]" 1
395 1 19 ARG HA 1 21 LEU MD1 . . 5.310 4.578 4.406 4.677 . 0 0 "[ . 1 . 2]" 1
396 1 19 ARG HA 1 21 LEU MD2 . . 5.310 4.334 4.119 4.520 . 0 0 "[ . 1 . 2]" 1
397 1 19 ARG HA 1 21 LEU QD . . 4.900 3.957 3.788 4.062 . 0 0 "[ . 1 . 2]" 1
398 1 19 ARG HA 1 51 GLN HA . . 4.820 2.917 2.696 3.042 . 0 0 "[ . 1 . 2]" 1
399 1 19 ARG HA 1 51 GLN HB2 . . 5.800 5.249 5.041 5.437 . 0 0 "[ . 1 . 2]" 1
400 1 19 ARG HA 1 51 GLN HB3 . . 5.800 4.363 4.102 4.598 . 0 0 "[ . 1 . 2]" 1
401 1 19 ARG HA 1 51 GLN HG2 . . 5.070 2.652 2.389 3.009 . 0 0 "[ . 1 . 2]" 1
402 1 19 ARG HA 1 51 GLN HG3 . . 5.070 3.767 3.602 4.239 . 0 0 "[ . 1 . 2]" 1
403 1 19 ARG HA 1 51 GLN QG . . 4.670 2.601 2.357 2.949 . 0 0 "[ . 1 . 2]" 1
404 1 19 ARG HA 1 82 PHE H . . 5.420 4.884 4.835 4.919 . 0 0 "[ . 1 . 2]" 1
405 1 19 ARG HB2 1 20 GLY H . . 4.680 3.662 3.571 3.745 . 0 0 "[ . 1 . 2]" 1
406 1 19 ARG HB2 1 20 GLY HA2 . . 5.580 5.009 4.910 5.098 . 0 0 "[ . 1 . 2]" 1
407 1 19 ARG HB2 1 20 GLY HA3 . . 5.770 4.294 4.227 4.351 . 0 0 "[ . 1 . 2]" 1
408 1 19 ARG HB2 1 51 GLN QG . . 5.740 4.746 4.527 4.979 . 0 0 "[ . 1 . 2]" 1
409 1 19 ARG HB2 1 82 PHE H . . 5.320 3.768 3.643 3.854 . 0 0 "[ . 1 . 2]" 1
410 1 19 ARG HB2 1 82 PHE HB2 . . 5.040 2.540 2.410 2.686 . 0 0 "[ . 1 . 2]" 1
411 1 19 ARG HB2 1 82 PHE HB3 . . 5.210 4.027 3.901 4.184 . 0 0 "[ . 1 . 2]" 1
412 1 19 ARG HB2 1 82 PHE QD . . 5.460 3.610 3.534 3.697 . 0 0 "[ . 1 . 2]" 1
413 1 19 ARG HB3 1 20 GLY H . . 4.570 2.618 2.541 2.716 . 0 0 "[ . 1 . 2]" 1
414 1 19 ARG HB3 1 20 GLY HA2 . . 5.620 4.317 4.258 4.404 . 0 0 "[ . 1 . 2]" 1
415 1 19 ARG HB3 1 20 GLY HA3 . . 5.620 4.271 4.200 4.330 . 0 0 "[ . 1 . 2]" 1
416 1 19 ARG HB3 1 21 LEU H . . 5.600 4.960 4.888 5.019 . 0 0 "[ . 1 . 2]" 1
417 1 19 ARG HB3 1 21 LEU QD . . 5.650 5.560 5.392 5.659 0.009 3 0 "[ . 1 . 2]" 1
418 1 19 ARG HB3 1 51 GLN HA . . 5.760 5.163 4.886 5.328 . 0 0 "[ . 1 . 2]" 1
419 1 19 ARG HB3 1 51 GLN HG2 . . 5.760 3.820 3.465 4.081 . 0 0 "[ . 1 . 2]" 1
420 1 19 ARG HB3 1 51 GLN HG3 . . 5.760 4.872 4.579 5.155 . 0 0 "[ . 1 . 2]" 1
421 1 19 ARG HB3 1 51 GLN QG . . 5.390 3.689 3.368 3.921 . 0 0 "[ . 1 . 2]" 1
422 1 19 ARG HB3 1 82 PHE H . . 5.800 4.992 4.806 5.112 . 0 0 "[ . 1 . 2]" 1
423 1 19 ARG HB3 1 82 PHE HB2 . . 5.410 4.118 3.917 4.315 . 0 0 "[ . 1 . 2]" 1
424 1 19 ARG HB3 1 82 PHE QD . . 5.550 4.411 4.162 4.601 . 0 0 "[ . 1 . 2]" 1
425 1 19 ARG HG2 1 20 GLY H . . 5.800 4.326 4.230 4.379 . 0 0 "[ . 1 . 2]" 1
426 1 19 ARG HG2 1 51 GLN HA . . 5.800 4.284 4.124 4.433 . 0 0 "[ . 1 . 2]" 1
427 1 19 ARG HG2 1 82 PHE HB2 . . 5.640 5.490 5.404 5.589 . 0 0 "[ . 1 . 2]" 1
428 1 19 ARG HG3 1 51 GLN QG . . 5.740 3.946 3.753 4.243 . 0 0 "[ . 1 . 2]" 1
429 1 19 ARG HG3 1 82 PHE H . . 5.800 5.377 5.254 5.490 . 0 0 "[ . 1 . 2]" 1
430 1 19 ARG HG3 1 82 PHE HB2 . . 5.300 4.395 4.339 4.442 . 0 0 "[ . 1 . 2]" 1
431 1 19 ARG HG3 1 82 PHE HB3 . . 5.510 5.335 5.227 5.428 . 0 0 "[ . 1 . 2]" 1
432 1 19 ARG HG3 1 82 PHE QD . . 5.790 5.838 5.815 5.871 0.081 20 0 "[ . 1 . 2]" 1
433 1 19 ARG HG3 1 83 VAL H . . 5.800 5.857 5.817 5.931 0.131 15 0 "[ . 1 . 2]" 1
434 1 19 ARG HG3 1 83 VAL HA . . 5.380 4.080 3.971 4.191 . 0 0 "[ . 1 . 2]" 1
435 1 19 ARG QD 1 20 GLY H . . 5.550 4.684 4.594 4.789 . 0 0 "[ . 1 . 2]" 1
436 1 19 ARG QD 1 82 PHE QD . . 5.680 4.963 4.812 5.371 . 0 0 "[ . 1 . 2]" 1
437 1 20 GLY H 1 21 LEU H . . 4.470 2.551 2.528 2.581 . 0 0 "[ . 1 . 2]" 1
438 1 20 GLY H 1 21 LEU HA . . 5.720 5.165 5.128 5.190 . 0 0 "[ . 1 . 2]" 1
439 1 20 GLY H 1 21 LEU HG . . 5.800 3.889 3.802 4.009 . 0 0 "[ . 1 . 2]" 1
440 1 20 GLY H 1 21 LEU MD1 . . 5.800 5.155 5.097 5.236 . 0 0 "[ . 1 . 2]" 1
441 1 20 GLY H 1 21 LEU MD2 . . 5.800 4.665 4.475 4.818 . 0 0 "[ . 1 . 2]" 1
442 1 20 GLY H 1 21 LEU QD . . 5.280 4.336 4.221 4.444 . 0 0 "[ . 1 . 2]" 1
443 1 20 GLY H 1 50 ARG HB2 . . 5.800 5.849 5.771 5.894 0.094 7 0 "[ . 1 . 2]" 1
444 1 20 GLY H 1 50 ARG HB3 . . 5.490 4.306 4.163 4.366 . 0 0 "[ . 1 . 2]" 1
445 1 20 GLY H 1 50 ARG HG2 . . 5.450 4.337 4.229 4.459 . 0 0 "[ . 1 . 2]" 1
446 1 20 GLY H 1 50 ARG HG3 . . 5.450 3.740 3.632 3.999 . 0 0 "[ . 1 . 2]" 1
447 1 20 GLY H 1 50 ARG QG . . 5.030 3.530 3.446 3.679 . 0 0 "[ . 1 . 2]" 1
448 1 20 GLY H 1 51 GLN HA . . 5.270 4.473 4.245 4.644 . 0 0 "[ . 1 . 2]" 1
449 1 20 GLY H 1 51 GLN QG . . 5.260 3.883 3.667 4.133 . 0 0 "[ . 1 . 2]" 1
450 1 20 GLY H 1 82 PHE QD . . 5.540 4.835 4.654 4.963 . 0 0 "[ . 1 . 2]" 1
451 1 20 GLY HA2 1 21 LEU H . . 4.650 3.083 3.042 3.110 . 0 0 "[ . 1 . 2]" 1
452 1 20 GLY HA2 1 21 LEU QD . . 5.720 4.897 4.813 4.968 . 0 0 "[ . 1 . 2]" 1
453 1 20 GLY HA2 1 50 ARG QG . . 5.520 3.697 3.570 3.781 . 0 0 "[ . 1 . 2]" 1
454 1 20 GLY HA2 1 81 ALA HA . . 5.780 4.435 4.287 4.558 . 0 0 "[ . 1 . 2]" 1
455 1 20 GLY HA2 1 81 ALA MB . . 5.430 4.667 4.534 4.784 . 0 0 "[ . 1 . 2]" 1
456 1 20 GLY HA2 1 82 PHE H . . 5.720 5.133 5.037 5.214 . 0 0 "[ . 1 . 2]" 1
457 1 20 GLY HA2 1 82 PHE QD . . 5.330 4.368 4.209 4.523 . 0 0 "[ . 1 . 2]" 1
458 1 20 GLY HA3 1 21 LEU QD . . 5.590 4.601 4.504 4.682 . 0 0 "[ . 1 . 2]" 1
459 1 20 GLY HA3 1 81 ALA H . . 5.800 5.726 5.576 5.836 0.036 11 0 "[ . 1 . 2]" 1
460 1 20 GLY HA3 1 81 ALA HA . . 5.150 2.793 2.642 2.903 . 0 0 "[ . 1 . 2]" 1
461 1 20 GLY HA3 1 81 ALA MB . . 5.690 3.473 3.345 3.591 . 0 0 "[ . 1 . 2]" 1
462 1 20 GLY HA3 1 82 PHE H . . 5.110 3.498 3.403 3.599 . 0 0 "[ . 1 . 2]" 1
463 1 20 GLY HA3 1 82 PHE QD . . 5.140 3.047 2.912 3.182 . 0 0 "[ . 1 . 2]" 1
464 1 21 LEU H 1 21 LEU HG . . 4.320 2.030 1.971 2.090 . 0 0 "[ . 1 . 2]" 1
465 1 21 LEU H 1 21 LEU MD1 . . 4.910 3.595 3.570 3.633 . 0 0 "[ . 1 . 2]" 1
466 1 21 LEU H 1 21 LEU MD2 . . 4.910 2.985 2.832 3.110 . 0 0 "[ . 1 . 2]" 1
467 1 21 LEU H 1 21 LEU QD . . 4.330 2.846 2.736 2.936 . 0 0 "[ . 1 . 2]" 1
468 1 21 LEU H 1 22 ILE H . . 5.560 4.705 4.693 4.722 . 0 0 "[ . 1 . 2]" 1
469 1 21 LEU H 1 50 ARG HB2 . . 5.760 5.380 5.328 5.425 . 0 0 "[ . 1 . 2]" 1
470 1 21 LEU H 1 50 ARG HD2 . . 5.490 4.111 3.975 4.510 . 0 0 "[ . 1 . 2]" 1
471 1 21 LEU H 1 50 ARG HD3 . . 5.490 4.667 4.498 5.452 . 0 0 "[ . 1 . 2]" 1
472 1 21 LEU H 1 50 ARG HG2 . . 4.920 3.740 3.660 3.927 . 0 0 "[ . 1 . 2]" 1
473 1 21 LEU H 1 50 ARG HG3 . . 4.920 2.432 2.351 2.565 . 0 0 "[ . 1 . 2]" 1
474 1 21 LEU H 1 50 ARG QD . . 5.130 3.854 3.731 4.179 . 0 0 "[ . 1 . 2]" 1
475 1 21 LEU H 1 50 ARG QG . . 4.470 2.402 2.325 2.522 . 0 0 "[ . 1 . 2]" 1
476 1 21 LEU H 1 51 GLN HA . . 5.240 4.259 4.078 4.428 . 0 0 "[ . 1 . 2]" 1
477 1 21 LEU H 1 76 ILE MD . . 5.440 5.157 4.666 5.320 . 0 0 "[ . 1 . 2]" 1
478 1 21 LEU H 1 81 ALA MB . . 5.390 4.177 4.119 4.245 . 0 0 "[ . 1 . 2]" 1
479 1 21 LEU HA 1 21 LEU QD . . 3.980 2.066 2.029 2.109 . 0 0 "[ . 1 . 2]" 1
480 1 21 LEU HA 1 22 ILE H . . 4.200 2.396 2.380 2.431 . 0 0 "[ . 1 . 2]" 1
481 1 21 LEU HA 1 22 ILE MG . . 4.580 3.402 3.361 3.470 . 0 0 "[ . 1 . 2]" 1
482 1 21 LEU HA 1 23 ASP H . . 5.740 4.489 4.342 4.711 . 0 0 "[ . 1 . 2]" 1
483 1 21 LEU HA 1 25 VAL HB . . 5.800 5.136 4.461 5.976 0.176 14 0 "[ . 1 . 2]" 1
484 1 21 LEU HA 1 25 VAL QG . . 4.310 3.029 2.830 3.588 . 0 0 "[ . 1 . 2]" 1
485 1 21 LEU HA 1 50 ARG QD . . 5.740 4.348 4.234 5.025 . 0 0 "[ . 1 . 2]" 1
486 1 21 LEU HA 1 76 ILE HB . . 5.330 4.870 4.511 5.038 . 0 0 "[ . 1 . 2]" 1
487 1 21 LEU HA 1 76 ILE MD . . 4.270 3.844 3.272 4.037 . 0 0 "[ . 1 . 2]" 1
488 1 21 LEU HA 1 79 HIS QB . . 6.000 5.360 5.250 5.583 . 0 0 "[ . 1 . 2]" 1
489 1 21 LEU HA 1 81 ALA HA . . 5.470 4.966 4.830 5.175 . 0 0 "[ . 1 . 2]" 1
490 1 21 LEU HA 1 81 ALA MB . . 4.360 3.238 3.155 3.288 . 0 0 "[ . 1 . 2]" 1
491 1 21 LEU HA 1 82 PHE H . . 5.700 5.706 5.549 5.769 0.069 17 0 "[ . 1 . 2]" 1
492 1 21 LEU HB2 1 22 ILE H . . 5.620 3.687 3.613 3.755 . 0 0 "[ . 1 . 2]" 1
493 1 21 LEU HB2 1 25 VAL QG . . 5.400 3.664 3.526 3.782 . 0 0 "[ . 1 . 2]" 1
494 1 21 LEU HB2 1 50 ARG H . . 5.800 5.268 5.129 5.444 . 0 0 "[ . 1 . 2]" 1
495 1 21 LEU HB2 1 50 ARG HA . . 4.860 3.034 2.909 3.202 . 0 0 "[ . 1 . 2]" 1
496 1 21 LEU HB2 1 50 ARG HG2 . . 5.520 3.726 3.621 3.992 . 0 0 "[ . 1 . 2]" 1
497 1 21 LEU HB2 1 50 ARG HG3 . . 5.520 2.182 2.108 2.373 . 0 0 "[ . 1 . 2]" 1
498 1 21 LEU HB2 1 50 ARG QD . . 5.740 2.349 2.208 2.833 . 0 0 "[ . 1 . 2]" 1
499 1 21 LEU HB2 1 50 ARG QG . . 5.180 2.167 2.097 2.356 . 0 0 "[ . 1 . 2]" 1
500 1 21 LEU HB3 1 22 ILE H . . 5.240 2.615 2.546 2.703 . 0 0 "[ . 1 . 2]" 1
501 1 21 LEU HB3 1 25 VAL HB . . 5.650 3.988 2.945 5.227 . 0 0 "[ . 1 . 2]" 1
502 1 21 LEU HB3 1 25 VAL QG . . 5.110 2.255 2.101 2.402 . 0 0 "[ . 1 . 2]" 1
503 1 21 LEU HB3 1 50 ARG HA . . 5.550 4.490 4.383 4.638 . 0 0 "[ . 1 . 2]" 1
504 1 21 LEU HB3 1 50 ARG HG2 . . 5.790 5.315 5.194 5.660 . 0 0 "[ . 1 . 2]" 1
505 1 21 LEU HB3 1 50 ARG HG3 . . 5.790 3.894 3.770 4.098 . 0 0 "[ . 1 . 2]" 1
506 1 21 LEU HB3 1 50 ARG QG . . 5.470 3.801 3.697 4.007 . 0 0 "[ . 1 . 2]" 1
507 1 21 LEU HG 1 22 ILE H . . 5.560 5.056 5.000 5.123 . 0 0 "[ . 1 . 2]" 1
508 1 21 LEU HG 1 51 GLN HA . . 5.580 3.081 2.840 3.319 . 0 0 "[ . 1 . 2]" 1
509 1 21 LEU MD1 1 25 VAL HB . . 5.290 3.668 2.343 4.980 . 0 0 "[ . 1 . 2]" 1
510 1 21 LEU MD1 1 50 ARG HG2 . . 5.800 5.084 4.988 5.250 . 0 0 "[ . 1 . 2]" 1
511 1 21 LEU MD1 1 50 ARG HG3 . . 5.800 3.614 3.506 3.766 . 0 0 "[ . 1 . 2]" 1
512 1 21 LEU MD1 1 51 GLN HA . . 4.850 2.940 2.789 3.054 . 0 0 "[ . 1 . 2]" 1
513 1 21 LEU MD1 1 52 ALA H . . 5.030 3.576 3.252 3.726 . 0 0 "[ . 1 . 2]" 1
514 1 21 LEU MD1 1 52 ALA MB . . 4.020 2.252 2.087 2.347 . 0 0 "[ . 1 . 2]" 1
515 1 21 LEU MD2 1 50 ARG HG2 . . 5.800 5.858 5.791 5.974 0.174 6 0 "[ . 1 . 2]" 1
516 1 21 LEU MD2 1 50 ARG HG3 . . 5.800 4.530 4.463 4.623 . 0 0 "[ . 1 . 2]" 1
517 1 21 LEU MD2 1 51 GLN HA . . 4.850 4.102 3.721 4.359 . 0 0 "[ . 1 . 2]" 1
518 1 21 LEU MD2 1 52 ALA H . . 5.030 4.485 4.091 4.765 . 0 0 "[ . 1 . 2]" 1
519 1 21 LEU QD 1 22 ILE H . . 5.120 3.474 3.395 3.568 . 0 0 "[ . 1 . 2]" 1
520 1 21 LEU QD 1 23 ASP HA . . 5.660 5.586 5.404 5.676 0.016 3 0 "[ . 1 . 2]" 1
521 1 21 LEU QD 1 24 GLY HA2 . . 5.770 3.785 3.265 4.515 . 0 0 "[ . 1 . 2]" 1
522 1 21 LEU QD 1 25 VAL H . . 4.980 3.133 2.898 3.822 . 0 0 "[ . 1 . 2]" 1
523 1 21 LEU QD 1 25 VAL QG . . 3.930 1.982 1.794 2.202 . 0 0 "[ . 1 . 2]" 1
524 1 21 LEU QD 1 26 VAL H . . 5.770 5.401 5.089 5.686 . 0 0 "[ . 1 . 2]" 1
525 1 21 LEU QD 1 45 VAL HA . . 5.210 4.110 3.838 4.348 . 0 0 "[ . 1 . 2]" 1
526 1 21 LEU QD 1 45 VAL HB . . 5.580 4.713 3.988 5.150 . 0 0 "[ . 1 . 2]" 1
527 1 21 LEU QD 1 45 VAL QG . . 3.900 2.387 2.164 2.601 . 0 0 "[ . 1 . 2]" 1
528 1 21 LEU QD 1 46 MET H . . 5.140 3.613 3.327 3.913 . 0 0 "[ . 1 . 2]" 1
529 1 21 LEU QD 1 50 ARG HA . . 4.740 2.874 2.651 3.063 . 0 0 "[ . 1 . 2]" 1
530 1 21 LEU QD 1 50 ARG HB2 . . 5.580 4.951 4.804 5.123 . 0 0 "[ . 1 . 2]" 1
531 1 21 LEU QD 1 50 ARG QD . . 4.980 3.409 3.240 3.860 . 0 0 "[ . 1 . 2]" 1
532 1 21 LEU QD 1 50 ARG QG . . 5.070 3.400 3.326 3.513 . 0 0 "[ . 1 . 2]" 1
533 1 21 LEU QD 1 51 GLN H . . 4.310 3.104 2.902 3.273 . 0 0 "[ . 1 . 2]" 1
534 1 21 LEU QD 1 51 GLN HA . . 4.420 2.877 2.741 2.985 . 0 0 "[ . 1 . 2]" 1
535 1 21 LEU QD 1 51 GLN QG . . 5.710 4.196 4.101 4.296 . 0 0 "[ . 1 . 2]" 1
536 1 21 LEU QD 1 52 ALA H . . 4.680 3.440 3.157 3.571 . 0 0 "[ . 1 . 2]" 1
537 1 21 LEU QD 1 52 ALA HA . . 4.970 3.927 3.724 4.106 . 0 0 "[ . 1 . 2]" 1
538 1 21 LEU QD 1 52 ALA MB . . 3.660 2.198 2.030 2.301 . 0 0 "[ . 1 . 2]" 1
539 1 21 LEU QD 1 76 ILE MD . . 3.690 2.366 2.084 2.518 . 0 0 "[ . 1 . 2]" 1
540 1 21 LEU QD 1 77 ALA H . . 5.770 5.574 5.421 5.790 0.020 6 0 "[ . 1 . 2]" 1
541 1 21 LEU QD 1 81 ALA MB . . 4.110 2.772 2.623 2.955 . 0 0 "[ . 1 . 2]" 1
542 1 21 LEU QD 1 82 PHE H . . 5.400 4.406 4.132 4.498 . 0 0 "[ . 1 . 2]" 1
543 1 22 ILE H 1 22 ILE HG12 . . 4.300 2.162 2.062 2.293 . 0 0 "[ . 1 . 2]" 1
544 1 22 ILE H 1 22 ILE HG13 . . 5.040 3.471 3.337 3.589 . 0 0 "[ . 1 . 2]" 1
545 1 22 ILE H 1 22 ILE MD . . 4.980 3.547 3.497 3.595 . 0 0 "[ . 1 . 2]" 1
546 1 22 ILE H 1 22 ILE MG . . 4.020 2.022 1.944 2.093 . 0 0 "[ . 1 . 2]" 1
547 1 22 ILE H 1 23 ASP H . . 5.030 2.616 2.551 2.704 . 0 0 "[ . 1 . 2]" 1
548 1 22 ILE H 1 25 VAL H . . 5.340 3.721 3.672 3.778 . 0 0 "[ . 1 . 2]" 1
549 1 22 ILE H 1 25 VAL HA . . 5.680 5.242 5.058 5.499 . 0 0 "[ . 1 . 2]" 1
550 1 22 ILE H 1 25 VAL HB . . 5.350 4.645 3.295 5.276 . 0 0 "[ . 1 . 2]" 1
551 1 22 ILE H 1 25 VAL QG . . 4.070 2.275 2.058 3.454 . 0 0 "[ . 1 . 2]" 1
552 1 22 ILE H 1 50 ARG QD . . 5.320 4.024 3.840 4.993 . 0 0 "[ . 1 . 2]" 1
553 1 22 ILE H 1 50 ARG QG . . 5.740 4.883 4.711 5.171 . 0 0 "[ . 1 . 2]" 1
554 1 22 ILE H 1 76 ILE MD . . 5.450 5.297 4.779 5.478 0.028 1 0 "[ . 1 . 2]" 1
555 1 22 ILE H 1 77 ALA MB . . 5.040 4.303 4.132 4.660 . 0 0 "[ . 1 . 2]" 1
556 1 22 ILE H 1 79 HIS HB2 . . 5.490 4.849 4.770 4.957 . 0 0 "[ . 1 . 2]" 1
557 1 22 ILE H 1 79 HIS HB3 . . 5.800 5.740 5.598 5.831 0.031 20 0 "[ . 1 . 2]" 1
558 1 22 ILE HA 1 23 ASP QB . . 5.200 4.386 4.327 4.423 . 0 0 "[ . 1 . 2]" 1
559 1 22 ILE HA 1 24 GLY H . . 5.800 5.267 5.209 5.351 . 0 0 "[ . 1 . 2]" 1
560 1 22 ILE HA 1 50 ARG QD . . 5.240 4.132 3.927 5.263 0.023 6 0 "[ . 1 . 2]" 1
561 1 22 ILE HA 1 79 HIS HB2 . . 5.340 4.757 4.602 4.891 . 0 0 "[ . 1 . 2]" 1
562 1 22 ILE HB 1 23 ASP QB . . 5.130 3.855 3.799 3.945 . 0 0 "[ . 1 . 2]" 1
563 1 22 ILE HB 1 79 HIS HB2 . . 5.180 4.229 4.048 4.383 . 0 0 "[ . 1 . 2]" 1
564 1 22 ILE HB 1 79 HIS HB3 . . 5.110 4.679 4.465 4.858 . 0 0 "[ . 1 . 2]" 1
565 1 22 ILE HG12 1 23 ASP H . . 4.380 2.270 2.211 2.403 . 0 0 "[ . 1 . 2]" 1
566 1 22 ILE HG12 1 23 ASP HA . . 5.700 4.983 4.874 5.157 . 0 0 "[ . 1 . 2]" 1
567 1 22 ILE HG12 1 23 ASP HB2 . . 5.460 4.669 4.491 4.980 . 0 0 "[ . 1 . 2]" 1
568 1 22 ILE HG12 1 23 ASP HB3 . . 5.460 3.978 3.780 4.239 . 0 0 "[ . 1 . 2]" 1
569 1 22 ILE HG12 1 25 VAL H . . 5.070 3.181 2.698 3.292 . 0 0 "[ . 1 . 2]" 1
570 1 22 ILE HG12 1 25 VAL HA . . 5.790 3.920 3.802 4.042 . 0 0 "[ . 1 . 2]" 1
571 1 22 ILE HG12 1 25 VAL HB . . 5.760 4.416 2.306 4.754 . 0 0 "[ . 1 . 2]" 1
572 1 22 ILE HG12 1 25 VAL QG . . 3.910 2.149 2.003 3.417 . 0 0 "[ . 1 . 2]" 1
573 1 22 ILE HG12 1 50 ARG QD . . 5.740 4.899 4.721 5.723 . 0 0 "[ . 1 . 2]" 1
574 1 22 ILE HG12 1 79 HIS HB2 . . 5.720 5.226 5.096 5.347 . 0 0 "[ . 1 . 2]" 1
575 1 22 ILE HG12 1 79 HIS HD2 . . 5.800 5.386 5.287 5.482 . 0 0 "[ . 1 . 2]" 1
576 1 22 ILE HG13 1 23 ASP H . . 4.820 2.430 2.244 2.546 . 0 0 "[ . 1 . 2]" 1
577 1 22 ILE HG13 1 23 ASP HB2 . . 5.440 3.193 3.020 3.496 . 0 0 "[ . 1 . 2]" 1
578 1 22 ILE HG13 1 23 ASP HB3 . . 5.440 2.628 2.552 2.718 . 0 0 "[ . 1 . 2]" 1
579 1 22 ILE HG13 1 24 GLY H . . 5.300 2.789 2.512 2.918 . 0 0 "[ . 1 . 2]" 1
580 1 22 ILE HG13 1 25 VAL H . . 5.630 4.279 3.556 4.421 . 0 0 "[ . 1 . 2]" 1
581 1 22 ILE HG13 1 25 VAL HA . . 5.800 4.946 4.549 5.142 . 0 0 "[ . 1 . 2]" 1
582 1 22 ILE HG13 1 77 ALA MB . . 5.280 4.743 4.640 4.852 . 0 0 "[ . 1 . 2]" 1
583 1 22 ILE HG13 1 79 HIS HB2 . . 5.800 5.887 5.862 5.913 0.113 15 0 "[ . 1 . 2]" 1
584 1 22 ILE HG13 1 79 HIS HD2 . . 5.600 5.620 5.585 5.638 0.038 4 0 "[ . 1 . 2]" 1
585 1 22 ILE MD 1 23 ASP H . . 4.860 3.785 3.711 3.836 . 0 0 "[ . 1 . 2]" 1
586 1 22 ILE MD 1 23 ASP QB . . 4.820 3.690 3.588 3.801 . 0 0 "[ . 1 . 2]" 1
587 1 22 ILE MD 1 24 GLY HA2 . . 5.800 5.860 5.712 5.901 0.101 11 0 "[ . 1 . 2]" 1
588 1 22 ILE MD 1 24 GLY HA3 . . 5.640 5.623 5.348 5.719 0.079 7 0 "[ . 1 . 2]" 1
589 1 22 ILE MD 1 25 VAL H . . 4.950 4.204 3.678 4.315 . 0 0 "[ . 1 . 2]" 1
590 1 22 ILE MD 1 25 VAL HA . . 4.750 3.567 3.262 3.710 . 0 0 "[ . 1 . 2]" 1
591 1 22 ILE MD 1 25 VAL QG . . 4.480 2.496 2.242 3.228 . 0 0 "[ . 1 . 2]" 1
592 1 22 ILE MD 1 26 VAL H . . 5.760 5.206 4.893 5.352 . 0 0 "[ . 1 . 2]" 1
593 1 22 ILE MD 1 77 ALA MB . . 3.700 2.261 2.123 2.393 . 0 0 "[ . 1 . 2]" 1
594 1 22 ILE MD 1 78 GLY H . . 6.000 5.844 5.749 5.915 . 0 0 "[ . 1 . 2]" 1
595 1 22 ILE MD 1 79 HIS HB2 . . 5.100 3.785 3.665 3.945 . 0 0 "[ . 1 . 2]" 1
596 1 22 ILE MD 1 79 HIS HD2 . . 4.380 2.969 2.875 3.085 . 0 0 "[ . 1 . 2]" 1
597 1 22 ILE MD 1 22 ILE MG . . 3.690 1.981 1.972 1.995 . 0 0 "[ . 1 . 2]" 1
598 1 22 ILE MG 1 23 ASP H . . 4.720 3.807 3.735 3.865 . 0 0 "[ . 1 . 2]" 1
599 1 22 ILE MG 1 23 ASP QB . . 5.510 4.734 4.704 4.778 . 0 0 "[ . 1 . 2]" 1
600 1 22 ILE MG 1 25 VAL H . . 4.970 4.754 4.538 4.895 . 0 0 "[ . 1 . 2]" 1
601 1 22 ILE MG 1 25 VAL HA . . 5.110 5.155 5.138 5.201 0.091 4 0 "[ . 1 . 2]" 1
602 1 22 ILE MG 1 25 VAL HB . . 5.560 4.904 3.331 5.256 . 0 0 "[ . 1 . 2]" 1
603 1 22 ILE MG 1 25 VAL QG . . 3.750 2.673 2.423 3.692 . 0 0 "[ . 1 . 2]" 1
604 1 22 ILE MG 1 77 ALA MB . . 4.200 2.657 2.445 2.872 . 0 0 "[ . 1 . 2]" 1
605 1 22 ILE MG 1 79 HIS H . . 4.280 3.763 3.660 3.866 . 0 0 "[ . 1 . 2]" 1
606 1 22 ILE MG 1 79 HIS HA . . 5.190 4.376 4.329 4.423 . 0 0 "[ . 1 . 2]" 1
607 1 22 ILE MG 1 79 HIS HB2 . . 4.350 1.977 1.954 2.005 . 0 0 "[ . 1 . 2]" 1
608 1 22 ILE MG 1 79 HIS HB3 . . 4.570 2.631 2.529 2.746 . 0 0 "[ . 1 . 2]" 1
609 1 22 ILE MG 1 79 HIS HD2 . . 4.570 2.492 2.418 2.547 . 0 0 "[ . 1 . 2]" 1
610 1 22 ILE MG 1 79 HIS HE1 . . 5.800 5.027 4.848 5.239 . 0 0 "[ . 1 . 2]" 1
611 1 22 ILE MG 1 80 PRO HD2 . . 5.620 4.353 4.215 4.495 . 0 0 "[ . 1 . 2]" 1
612 1 23 ASP H 1 24 GLY H . . 4.990 1.816 1.777 1.921 . 0 0 "[ . 1 . 2]" 1
613 1 23 ASP H 1 24 GLY HA2 . . 5.580 3.975 3.893 4.071 . 0 0 "[ . 1 . 2]" 1
614 1 23 ASP H 1 24 GLY HA3 . . 5.600 4.430 4.397 4.475 . 0 0 "[ . 1 . 2]" 1
615 1 23 ASP H 1 25 VAL H . . 5.430 3.045 2.741 3.234 . 0 0 "[ . 1 . 2]" 1
616 1 23 ASP H 1 25 VAL HA . . 5.760 5.047 4.962 5.157 . 0 0 "[ . 1 . 2]" 1
617 1 23 ASP H 1 25 VAL QG . . 4.930 3.039 2.860 4.094 . 0 0 "[ . 1 . 2]" 1
618 1 23 ASP H 1 50 ARG HD2 . . 5.210 3.171 3.023 3.828 . 0 0 "[ . 1 . 2]" 1
619 1 23 ASP H 1 50 ARG HD3 . . 5.210 3.992 3.776 5.190 . 0 0 "[ . 1 . 2]" 1
620 1 23 ASP H 1 50 ARG QD . . 4.790 3.053 2.908 3.734 . 0 0 "[ . 1 . 2]" 1
621 1 23 ASP HA 1 24 GLY HA2 . . 5.390 4.764 4.718 4.833 . 0 0 "[ . 1 . 2]" 1
622 1 23 ASP HA 1 50 ARG QD . . 5.520 2.684 2.296 2.909 . 0 0 "[ . 1 . 2]" 1
623 1 23 ASP HB2 1 24 GLY H . . 4.910 3.898 3.825 3.957 . 0 0 "[ . 1 . 2]" 1
624 1 23 ASP HB2 1 25 VAL H . . 6.000 6.094 5.830 6.197 0.197 7 0 "[ . 1 . 2]" 1
625 1 23 ASP HB3 1 24 GLY H . . 4.910 2.641 2.500 2.705 . 0 0 "[ . 1 . 2]" 1
626 1 23 ASP HB3 1 25 VAL H . . 5.800 4.925 4.667 5.000 . 0 0 "[ . 1 . 2]" 1
627 1 23 ASP QB 1 24 GLY H . . 4.560 2.600 2.469 2.661 . 0 0 "[ . 1 . 2]" 1
628 1 23 ASP QB 1 24 GLY HA2 . . 5.320 4.676 4.611 4.711 . 0 0 "[ . 1 . 2]" 1
629 1 23 ASP QB 1 24 GLY HA3 . . 5.260 4.009 3.959 4.040 . 0 0 "[ . 1 . 2]" 1
630 1 23 ASP QB 1 25 VAL H . . 5.470 4.727 4.489 4.801 . 0 0 "[ . 1 . 2]" 1
631 1 23 ASP QB 1 50 ARG QD . . 5.190 4.258 3.981 4.627 . 0 0 "[ . 1 . 2]" 1
632 1 24 GLY H 1 25 VAL H . . 4.290 2.306 2.009 2.441 . 0 0 "[ . 1 . 2]" 1
633 1 24 GLY H 1 25 VAL QG . . 5.190 3.131 2.988 3.922 . 0 0 "[ . 1 . 2]" 1
634 1 24 GLY HA2 1 25 VAL H . . 4.410 2.706 2.580 2.948 . 0 0 "[ . 1 . 2]" 1
635 1 24 GLY HA2 1 25 VAL QG . . 5.700 3.933 3.556 4.252 . 0 0 "[ . 1 . 2]" 1
636 1 24 GLY HA3 1 25 VAL QG . . 5.640 4.646 4.442 4.841 . 0 0 "[ . 1 . 2]" 1
637 1 25 VAL H 1 25 VAL MG1 . . 4.230 2.860 1.923 3.749 . 0 0 "[ . 1 . 2]" 1
638 1 25 VAL H 1 25 VAL QG . . 3.720 1.898 1.808 2.134 . 0 0 "[ . 1 . 2]" 1
639 1 25 VAL H 1 26 VAL H . . 5.400 4.706 4.692 4.721 . 0 0 "[ . 1 . 2]" 1
640 1 25 VAL H 1 45 VAL QG . . 5.230 4.063 3.815 4.352 . 0 0 "[ . 1 . 2]" 1
641 1 25 VAL H 1 77 ALA MB . . 5.210 5.009 4.809 5.184 . 0 0 "[ . 1 . 2]" 1
642 1 25 VAL HA 1 26 VAL H . . 3.690 2.322 2.279 2.380 . 0 0 "[ . 1 . 2]" 1
643 1 25 VAL HA 1 26 VAL HA . . 5.390 4.350 4.287 4.393 . 0 0 "[ . 1 . 2]" 1
644 1 25 VAL HA 1 26 VAL QG . . 4.790 3.213 3.114 3.302 . 0 0 "[ . 1 . 2]" 1
645 1 25 VAL HA 1 29 ASP HB2 . . 5.210 4.496 4.364 4.650 . 0 0 "[ . 1 . 2]" 1
646 1 25 VAL HA 1 29 ASP HB3 . . 5.360 5.403 5.307 5.526 0.166 20 0 "[ . 1 . 2]" 1
647 1 25 VAL HA 1 77 ALA MB . . 4.780 3.799 3.576 3.947 . 0 0 "[ . 1 . 2]" 1
648 1 25 VAL HB 1 29 ASP HB2 . . 5.800 3.843 2.456 4.875 . 0 0 "[ . 1 . 2]" 1
649 1 25 VAL HB 1 77 ALA MB . . 5.190 3.707 2.685 4.590 . 0 0 "[ . 1 . 2]" 1
650 1 25 VAL MG1 1 76 ILE HB . . 5.160 3.391 3.042 4.000 . 0 0 "[ . 1 . 2]" 1
651 1 25 VAL MG1 1 77 ALA H . . 5.370 4.361 3.858 5.420 0.050 20 0 "[ . 1 . 2]" 1
652 1 25 VAL MG1 1 77 ALA MB . . 4.860 2.389 2.060 3.919 . 0 0 "[ . 1 . 2]" 1
653 1 25 VAL MG2 1 29 ASP HB3 . . 4.690 4.162 2.578 4.633 . 0 0 "[ . 1 . 2]" 1
654 1 25 VAL MG2 1 76 ILE HB . . 5.160 3.624 3.154 3.995 . 0 0 "[ . 1 . 2]" 1
655 1 25 VAL MG2 1 77 ALA H . . 5.370 4.735 4.052 5.412 0.042 18 0 "[ . 1 . 2]" 1
656 1 25 VAL MG2 1 77 ALA MB . . 4.860 2.895 2.031 3.848 . 0 0 "[ . 1 . 2]" 1
657 1 25 VAL QG 1 26 VAL H . . 4.200 2.690 2.145 3.338 . 0 0 "[ . 1 . 2]" 1
658 1 25 VAL QG 1 27 GLU HA . . 5.510 4.643 4.481 4.776 . 0 0 "[ . 1 . 2]" 1
659 1 25 VAL QG 1 29 ASP HB2 . . 4.440 2.451 1.985 3.156 . 0 0 "[ . 1 . 2]" 1
660 1 25 VAL QG 1 30 LEU H . . 4.970 3.785 3.353 4.330 . 0 0 "[ . 1 . 2]" 1
661 1 25 VAL QG 1 30 LEU HB2 . . 5.490 4.600 4.282 4.897 . 0 0 "[ . 1 . 2]" 1
662 1 25 VAL QG 1 45 VAL QG . . 3.840 3.127 2.499 3.675 . 0 0 "[ . 1 . 2]" 1
663 1 25 VAL QG 1 76 ILE HB . . 4.510 3.090 2.927 3.353 . 0 0 "[ . 1 . 2]" 1
664 1 25 VAL QG 1 76 ILE MG . . 4.260 2.114 1.959 2.465 . 0 0 "[ . 1 . 2]" 1
665 1 25 VAL QG 1 77 ALA H . . 4.710 3.903 3.778 4.101 . 0 0 "[ . 1 . 2]" 1
666 1 25 VAL QG 1 77 ALA HA . . 5.510 4.087 3.857 4.336 . 0 0 "[ . 1 . 2]" 1
667 1 25 VAL QG 1 77 ALA MB . . 3.810 2.098 2.001 2.185 . 0 0 "[ . 1 . 2]" 1
668 1 25 VAL QG 1 78 GLY H . . 5.760 5.478 5.333 5.626 . 0 0 "[ . 1 . 2]" 1
669 1 25 VAL QG 1 79 HIS H . . 5.760 5.121 5.005 5.582 . 0 0 "[ . 1 . 2]" 1
670 1 25 VAL QG 1 79 HIS HB2 . . 5.410 4.667 4.497 5.422 0.012 4 0 "[ . 1 . 2]" 1
671 1 26 VAL H 1 26 VAL QG . . 3.820 1.893 1.848 1.960 . 0 0 "[ . 1 . 2]" 1
672 1 26 VAL H 1 27 GLU H . . 5.350 4.601 4.546 4.653 . 0 0 "[ . 1 . 2]" 1
673 1 26 VAL H 1 27 GLU HA . . 5.800 5.623 5.547 5.720 . 0 0 "[ . 1 . 2]" 1
674 1 26 VAL H 1 29 ASP H . . 4.930 4.011 3.923 4.111 . 0 0 "[ . 1 . 2]" 1
675 1 26 VAL H 1 29 ASP HA . . 5.620 5.646 5.340 5.746 0.126 4 0 "[ . 1 . 2]" 1
676 1 26 VAL H 1 29 ASP HB2 . . 4.530 3.172 2.967 3.426 . 0 0 "[ . 1 . 2]" 1
677 1 26 VAL H 1 29 ASP HB3 . . 4.690 4.500 4.174 4.623 . 0 0 "[ . 1 . 2]" 1
678 1 26 VAL H 1 30 LEU H . . 5.520 5.262 4.882 5.539 0.019 19 0 "[ . 1 . 2]" 1
679 1 26 VAL H 1 45 VAL QG . . 5.390 4.617 4.474 4.800 . 0 0 "[ . 1 . 2]" 1
680 1 26 VAL H 1 76 ILE MG . . 5.260 5.026 4.721 5.247 . 0 0 "[ . 1 . 2]" 1
681 1 26 VAL H 1 77 ALA MB . . 4.690 4.346 3.985 4.559 . 0 0 "[ . 1 . 2]" 1
682 1 26 VAL HA 1 27 GLU H . . 3.960 2.396 2.318 2.439 . 0 0 "[ . 1 . 2]" 1
683 1 26 VAL HA 1 27 GLU HA . . 5.220 4.293 4.259 4.401 . 0 0 "[ . 1 . 2]" 1
684 1 26 VAL HA 1 27 GLU HB2 . . 5.700 4.446 4.398 4.543 . 0 0 "[ . 1 . 2]" 1
685 1 26 VAL HA 1 27 GLU HB3 . . 5.510 4.876 4.686 4.949 . 0 0 "[ . 1 . 2]" 1
686 1 26 VAL HA 1 28 ALA MB . . 5.800 5.350 5.066 5.475 . 0 0 "[ . 1 . 2]" 1
687 1 26 VAL HA 1 29 ASP H . . 5.580 4.767 4.498 4.904 . 0 0 "[ . 1 . 2]" 1
688 1 26 VAL HA 1 45 VAL MG1 . . 5.140 3.774 2.986 4.506 . 0 0 "[ . 1 . 2]" 1
689 1 26 VAL HA 1 45 VAL MG2 . . 5.140 3.694 3.216 4.258 . 0 0 "[ . 1 . 2]" 1
690 1 26 VAL HA 1 45 VAL QG . . 4.370 3.252 2.913 3.826 . 0 0 "[ . 1 . 2]" 1
691 1 26 VAL HB 1 27 GLU H . . 3.880 2.491 2.237 3.680 . 0 0 "[ . 1 . 2]" 1
692 1 26 VAL HB 1 27 GLU HA . . 5.650 4.859 4.773 5.143 . 0 0 "[ . 1 . 2]" 1
693 1 26 VAL HB 1 27 GLU HB3 . . 5.050 4.262 4.011 5.225 0.175 12 0 "[ . 1 . 2]" 1
694 1 26 VAL HB 1 28 ALA H . . 5.060 2.793 2.695 2.920 . 0 0 "[ . 1 . 2]" 1
695 1 26 VAL HB 1 28 ALA MB . . 5.320 3.629 2.998 3.886 . 0 0 "[ . 1 . 2]" 1
696 1 26 VAL HB 1 29 ASP H . . 5.240 4.254 2.827 4.665 . 0 0 "[ . 1 . 2]" 1
697 1 26 VAL HB 1 45 VAL QG . . 5.350 4.863 4.582 5.391 0.041 7 0 "[ . 1 . 2]" 1
698 1 26 VAL MG1 1 29 ASP HB2 . . 5.470 5.076 4.714 5.321 . 0 0 "[ . 1 . 2]" 1
699 1 26 VAL MG2 1 29 ASP HB2 . . 5.470 3.326 2.701 4.403 . 0 0 "[ . 1 . 2]" 1
700 1 26 VAL QG 1 27 GLU H . . 4.550 3.052 2.087 3.196 . 0 0 "[ . 1 . 2]" 1
701 1 26 VAL QG 1 27 GLU HA . . 5.400 4.381 4.033 4.447 . 0 0 "[ . 1 . 2]" 1
702 1 26 VAL QG 1 27 GLU HB3 . . 5.200 4.287 3.014 4.491 . 0 0 "[ . 1 . 2]" 1
703 1 26 VAL QG 1 28 ALA H . . 4.110 2.212 1.683 2.337 . 0 0 "[ . 1 . 2]" 1
704 1 26 VAL QG 1 28 ALA MB . . 3.840 2.382 2.201 2.496 . 0 0 "[ . 1 . 2]" 1
705 1 26 VAL QG 1 29 ASP H . . 3.920 2.596 2.327 3.433 . 0 0 "[ . 1 . 2]" 1
706 1 26 VAL QG 1 29 ASP HA . . 4.780 4.197 3.926 4.879 0.099 7 0 "[ . 1 . 2]" 1
707 1 26 VAL QG 1 29 ASP HB2 . . 4.540 3.268 2.685 4.115 . 0 0 "[ . 1 . 2]" 1
708 1 26 VAL QG 1 30 LEU H . . 5.020 4.355 4.004 5.053 0.033 12 0 "[ . 1 . 2]" 1
709 1 27 GLU H 1 27 GLU HB2 . . 4.360 2.358 2.310 2.429 . 0 0 "[ . 1 . 2]" 1
710 1 27 GLU H 1 27 GLU HB3 . . 4.080 2.483 2.377 2.519 . 0 0 "[ . 1 . 2]" 1
711 1 27 GLU H 1 27 GLU HG2 . . 5.170 4.437 4.398 4.465 . 0 0 "[ . 1 . 2]" 1
712 1 27 GLU H 1 27 GLU HG3 . . 5.350 4.359 4.329 4.410 . 0 0 "[ . 1 . 2]" 1
713 1 27 GLU H 1 28 ALA H . . 4.330 2.700 2.645 2.763 . 0 0 "[ . 1 . 2]" 1
714 1 27 GLU H 1 28 ALA HA . . 5.800 5.290 5.269 5.331 . 0 0 "[ . 1 . 2]" 1
715 1 27 GLU H 1 28 ALA MB . . 5.360 4.342 4.284 4.400 . 0 0 "[ . 1 . 2]" 1
716 1 27 GLU H 1 29 ASP H . . 5.320 4.259 4.133 4.339 . 0 0 "[ . 1 . 2]" 1
717 1 27 GLU H 1 30 LEU H . . 5.720 5.272 5.024 5.527 . 0 0 "[ . 1 . 2]" 1
718 1 27 GLU H 1 43 VAL QG . . 5.580 4.987 4.857 5.258 . 0 0 "[ . 1 . 2]" 1
719 1 27 GLU H 1 45 VAL HB . . 5.590 4.894 4.568 5.246 . 0 0 "[ . 1 . 2]" 1
720 1 27 GLU H 1 45 VAL QG . . 4.420 3.419 3.106 3.673 . 0 0 "[ . 1 . 2]" 1
721 1 27 GLU HA 1 28 ALA HA . . 5.600 4.746 4.723 4.761 . 0 0 "[ . 1 . 2]" 1
722 1 27 GLU HA 1 28 ALA MB . . 5.660 5.001 4.985 5.013 . 0 0 "[ . 1 . 2]" 1
723 1 27 GLU HA 1 29 ASP H . . 5.360 3.745 3.696 3.794 . 0 0 "[ . 1 . 2]" 1
724 1 27 GLU HA 1 29 ASP HB2 . . 5.630 5.172 5.009 5.322 . 0 0 "[ . 1 . 2]" 1
725 1 27 GLU HA 1 30 LEU H . . 4.810 3.496 3.308 3.761 . 0 0 "[ . 1 . 2]" 1
726 1 27 GLU HA 1 30 LEU HB2 . . 5.110 3.155 2.710 3.742 . 0 0 "[ . 1 . 2]" 1
727 1 27 GLU HA 1 30 LEU HB3 . . 5.560 4.809 4.331 5.455 . 0 0 "[ . 1 . 2]" 1
728 1 27 GLU HA 1 31 VAL H . . 5.470 4.524 4.154 5.046 . 0 0 "[ . 1 . 2]" 1
729 1 27 GLU HA 1 31 VAL QG . . 5.770 4.752 4.576 4.989 . 0 0 "[ . 1 . 2]" 1
730 1 27 GLU HA 1 43 VAL HB . . 5.610 4.403 4.157 4.781 . 0 0 "[ . 1 . 2]" 1
731 1 27 GLU HA 1 43 VAL QG . . 4.110 2.828 2.708 3.118 . 0 0 "[ . 1 . 2]" 1
732 1 27 GLU HA 1 44 VAL HA . . 5.570 5.230 4.932 5.427 . 0 0 "[ . 1 . 2]" 1
733 1 27 GLU HA 1 45 VAL H . . 5.770 5.695 5.363 5.870 0.100 4 0 "[ . 1 . 2]" 1
734 1 27 GLU HA 1 45 VAL HB . . 5.800 4.651 3.939 5.413 . 0 0 "[ . 1 . 2]" 1
735 1 27 GLU HA 1 45 VAL QG . . 4.000 2.877 2.258 3.854 . 0 0 "[ . 1 . 2]" 1
736 1 27 GLU HA 1 52 ALA MB . . 5.580 5.206 4.984 5.385 . 0 0 "[ . 1 . 2]" 1
737 1 27 GLU HA 1 76 ILE MG . . 6.000 5.990 5.890 6.038 0.038 11 0 "[ . 1 . 2]" 1
738 1 27 GLU HB2 1 28 ALA H . . 5.070 4.061 4.027 4.098 . 0 0 "[ . 1 . 2]" 1
739 1 27 GLU HB2 1 28 ALA HA . . 5.800 5.686 5.638 5.720 . 0 0 "[ . 1 . 2]" 1
740 1 27 GLU HB2 1 45 VAL QG . . 4.550 3.129 2.740 3.364 . 0 0 "[ . 1 . 2]" 1
741 1 27 GLU HB3 1 28 ALA H . . 4.110 2.966 2.863 3.061 . 0 0 "[ . 1 . 2]" 1
742 1 27 GLU HB3 1 28 ALA HA . . 5.630 4.336 4.257 4.412 . 0 0 "[ . 1 . 2]" 1
743 1 27 GLU HB3 1 28 ALA MB . . 5.260 3.951 3.886 4.037 . 0 0 "[ . 1 . 2]" 1
744 1 27 GLU HB3 1 29 ASP H . . 5.710 4.997 4.922 5.053 . 0 0 "[ . 1 . 2]" 1
745 1 27 GLU HB3 1 45 VAL QG . . 4.900 4.401 4.066 4.680 . 0 0 "[ . 1 . 2]" 1
746 1 27 GLU HG2 1 28 ALA H . . 4.920 4.195 4.055 4.314 . 0 0 "[ . 1 . 2]" 1
747 1 27 GLU HG2 1 28 ALA HA . . 5.200 3.971 3.867 4.108 . 0 0 "[ . 1 . 2]" 1
748 1 27 GLU HG2 1 28 ALA MB . . 5.170 4.657 4.465 4.823 . 0 0 "[ . 1 . 2]" 1
749 1 27 GLU HG2 1 29 ASP H . . 5.740 5.291 5.182 5.352 . 0 0 "[ . 1 . 2]" 1
750 1 27 GLU HG2 1 30 LEU H . . 5.800 5.211 5.088 5.401 . 0 0 "[ . 1 . 2]" 1
751 1 27 GLU HG2 1 31 VAL H . . 5.600 4.640 4.345 5.154 . 0 0 "[ . 1 . 2]" 1
752 1 27 GLU HG2 1 31 VAL QG . . 4.710 3.686 3.451 3.988 . 0 0 "[ . 1 . 2]" 1
753 1 27 GLU HG2 1 43 VAL HB . . 4.730 2.914 2.676 3.108 . 0 0 "[ . 1 . 2]" 1
754 1 27 GLU HG2 1 43 VAL MG2 . . 5.270 3.964 3.842 4.096 . 0 0 "[ . 1 . 2]" 1
755 1 27 GLU HG3 1 28 ALA H . . 5.720 5.025 4.920 5.077 . 0 0 "[ . 1 . 2]" 1
756 1 27 GLU HG3 1 28 ALA HA . . 5.510 5.417 5.253 5.509 . 0 0 "[ . 1 . 2]" 1
757 1 27 GLU HG3 1 28 ALA MB . . 6.000 5.827 5.678 5.924 . 0 0 "[ . 1 . 2]" 1
758 1 27 GLU HG3 1 29 ASP H . . 5.790 5.819 5.792 5.853 0.063 5 0 "[ . 1 . 2]" 1
759 1 27 GLU HG3 1 30 LEU H . . 5.770 5.369 5.236 5.566 . 0 0 "[ . 1 . 2]" 1
760 1 27 GLU HG3 1 31 VAL QG . . 4.890 4.703 4.427 4.948 0.058 12 0 "[ . 1 . 2]" 1
761 1 27 GLU HG3 1 43 VAL MG1 . . 4.940 2.174 2.079 2.276 . 0 0 "[ . 1 . 2]" 1
762 1 27 GLU HG3 1 43 VAL MG2 . . 4.940 3.847 3.674 4.130 . 0 0 "[ . 1 . 2]" 1
763 1 27 GLU HG3 1 43 VAL QG . . 3.730 2.163 2.068 2.260 . 0 0 "[ . 1 . 2]" 1
764 1 27 GLU HG3 1 44 VAL HA . . 5.800 3.816 3.433 4.092 . 0 0 "[ . 1 . 2]" 1
765 1 28 ALA H 1 29 ASP H . . 4.260 2.610 2.558 2.663 . 0 0 "[ . 1 . 2]" 1
766 1 28 ALA H 1 29 ASP HB2 . . 5.510 4.723 4.571 4.816 . 0 0 "[ . 1 . 2]" 1
767 1 28 ALA H 1 30 LEU H . . 5.330 4.262 4.129 4.427 . 0 0 "[ . 1 . 2]" 1
768 1 28 ALA H 1 30 LEU HB2 . . 5.800 5.519 5.255 5.826 0.026 19 0 "[ . 1 . 2]" 1
769 1 28 ALA H 1 31 VAL H . . 5.620 5.178 5.051 5.274 . 0 0 "[ . 1 . 2]" 1
770 1 28 ALA H 1 31 VAL QG . . 5.320 4.423 4.357 4.497 . 0 0 "[ . 1 . 2]" 1
771 1 28 ALA HA 1 29 ASP HA . . 5.620 4.624 4.564 4.691 . 0 0 "[ . 1 . 2]" 1
772 1 28 ALA HA 1 30 LEU H . . 5.210 4.292 4.187 4.418 . 0 0 "[ . 1 . 2]" 1
773 1 28 ALA HA 1 31 VAL H . . 4.560 3.668 3.498 3.778 . 0 0 "[ . 1 . 2]" 1
774 1 28 ALA HA 1 31 VAL HA . . 6.000 6.006 5.815 6.089 0.089 9 0 "[ . 1 . 2]" 1
775 1 28 ALA HA 1 31 VAL QG . . 4.230 2.230 2.054 2.316 . 0 0 "[ . 1 . 2]" 1
776 1 28 ALA HA 1 32 GLU H . . 4.890 4.247 4.144 4.329 . 0 0 "[ . 1 . 2]" 1
777 1 28 ALA MB 1 29 ASP H . . 4.010 3.264 3.226 3.312 . 0 0 "[ . 1 . 2]" 1
778 1 28 ALA MB 1 29 ASP HA . . 4.960 4.116 4.023 4.186 . 0 0 "[ . 1 . 2]" 1
779 1 28 ALA MB 1 29 ASP HB2 . . 5.350 4.896 4.732 5.011 . 0 0 "[ . 1 . 2]" 1
780 1 28 ALA MB 1 30 LEU H . . 5.440 4.813 4.760 4.901 . 0 0 "[ . 1 . 2]" 1
781 1 28 ALA MB 1 31 VAL H . . 5.460 4.949 4.764 5.037 . 0 0 "[ . 1 . 2]" 1
782 1 28 ALA MB 1 32 GLU H . . 5.190 4.960 4.772 5.051 . 0 0 "[ . 1 . 2]" 1
783 1 28 ALA MB 1 32 GLU HB2 . . 5.530 4.870 4.814 4.933 . 0 0 "[ . 1 . 2]" 1
784 1 28 ALA MB 1 32 GLU HB3 . . 5.790 5.821 5.759 5.864 0.074 9 0 "[ . 1 . 2]" 1
785 1 28 ALA MB 1 32 GLU HG2 . . 5.000 4.181 3.742 5.046 0.046 8 0 "[ . 1 . 2]" 1
786 1 28 ALA MB 1 32 GLU HG3 . . 5.040 3.892 3.814 3.961 . 0 0 "[ . 1 . 2]" 1
787 1 29 ASP H 1 29 ASP HB2 . . 4.110 2.409 2.351 2.450 . 0 0 "[ . 1 . 2]" 1
788 1 29 ASP H 1 30 LEU H . . 4.190 2.161 2.029 2.345 . 0 0 "[ . 1 . 2]" 1
789 1 29 ASP H 1 30 LEU HA . . 5.800 4.876 4.762 5.030 . 0 0 "[ . 1 . 2]" 1
790 1 29 ASP H 1 30 LEU HB2 . . 5.750 4.183 3.970 4.412 . 0 0 "[ . 1 . 2]" 1
791 1 29 ASP H 1 31 VAL H . . 5.400 3.838 3.677 3.976 . 0 0 "[ . 1 . 2]" 1
792 1 29 ASP H 1 32 GLU H . . 5.510 4.659 4.498 4.836 . 0 0 "[ . 1 . 2]" 1
793 1 29 ASP H 1 32 GLU HB2 . . 5.800 5.245 5.053 5.431 . 0 0 "[ . 1 . 2]" 1
794 1 29 ASP HA 1 30 LEU HA . . 5.530 4.774 4.723 4.805 . 0 0 "[ . 1 . 2]" 1
795 1 29 ASP HA 1 31 VAL H . . 5.510 4.410 4.342 4.532 . 0 0 "[ . 1 . 2]" 1
796 1 29 ASP HA 1 32 GLU H . . 5.030 3.543 3.381 3.701 . 0 0 "[ . 1 . 2]" 1
797 1 29 ASP HA 1 32 GLU HB2 . . 4.550 2.889 2.626 3.122 . 0 0 "[ . 1 . 2]" 1
798 1 29 ASP HA 1 32 GLU HG3 . . 4.850 4.266 4.087 4.444 . 0 0 "[ . 1 . 2]" 1
799 1 29 ASP HA 1 33 ALA H . . 5.510 4.357 4.215 4.504 . 0 0 "[ . 1 . 2]" 1
800 1 29 ASP HA 1 33 ALA MB . . 5.410 4.140 4.044 4.268 . 0 0 "[ . 1 . 2]" 1
801 1 29 ASP HA 1 76 ILE MG . . 4.890 4.005 3.909 4.071 . 0 0 "[ . 1 . 2]" 1
802 1 29 ASP HA 1 77 ALA HA . . 5.720 5.166 4.949 5.294 . 0 0 "[ . 1 . 2]" 1
803 1 29 ASP HA 1 77 ALA MB . . 5.490 5.068 4.916 5.218 . 0 0 "[ . 1 . 2]" 1
804 1 29 ASP HB2 1 30 LEU H . . 4.470 2.892 2.790 2.965 . 0 0 "[ . 1 . 2]" 1
805 1 29 ASP HB2 1 31 VAL H . . 5.780 5.216 5.112 5.280 . 0 0 "[ . 1 . 2]" 1
806 1 29 ASP HB2 1 76 ILE MG . . 4.510 2.908 2.705 3.104 . 0 0 "[ . 1 . 2]" 1
807 1 29 ASP HB2 1 77 ALA HA . . 5.340 5.001 4.901 5.162 . 0 0 "[ . 1 . 2]" 1
808 1 29 ASP HB2 1 77 ALA MB . . 4.920 3.705 3.565 3.866 . 0 0 "[ . 1 . 2]" 1
809 1 29 ASP HB3 1 30 LEU H . . 4.600 3.836 3.773 3.890 . 0 0 "[ . 1 . 2]" 1
810 1 29 ASP HB3 1 33 ALA MB . . 5.400 4.074 3.991 4.192 . 0 0 "[ . 1 . 2]" 1
811 1 29 ASP HB3 1 76 ILE MG . . 4.420 2.253 2.123 2.350 . 0 0 "[ . 1 . 2]" 1
812 1 29 ASP HB3 1 77 ALA H . . 4.860 4.847 4.759 4.902 0.042 5 0 "[ . 1 . 2]" 1
813 1 29 ASP HB3 1 77 ALA HA . . 5.270 3.528 3.473 3.619 . 0 0 "[ . 1 . 2]" 1
814 1 29 ASP HB3 1 77 ALA MB . . 4.360 3.019 2.903 3.140 . 0 0 "[ . 1 . 2]" 1
815 1 29 ASP HB3 1 78 GLY H . . 5.800 5.883 5.848 5.927 0.127 15 0 "[ . 1 . 2]" 1
816 1 30 LEU H 1 30 LEU HB2 . . 4.280 2.286 2.210 2.335 . 0 0 "[ . 1 . 2]" 1
817 1 30 LEU H 1 31 VAL H . . 4.180 2.565 2.513 2.603 . 0 0 "[ . 1 . 2]" 1
818 1 30 LEU H 1 31 VAL HA . . 5.770 5.194 5.144 5.235 . 0 0 "[ . 1 . 2]" 1
819 1 30 LEU H 1 31 VAL HB . . 5.660 4.892 4.813 4.943 . 0 0 "[ . 1 . 2]" 1
820 1 30 LEU H 1 32 GLU H . . 5.210 3.985 3.934 4.059 . 0 0 "[ . 1 . 2]" 1
821 1 30 LEU H 1 32 GLU HB2 . . 5.800 5.292 5.163 5.418 . 0 0 "[ . 1 . 2]" 1
822 1 30 LEU H 1 33 ALA H . . 5.540 4.804 4.743 4.875 . 0 0 "[ . 1 . 2]" 1
823 1 30 LEU H 1 33 ALA MB . . 5.450 4.838 4.661 4.917 . 0 0 "[ . 1 . 2]" 1
824 1 30 LEU H 1 43 VAL QG . . 4.950 3.792 3.530 3.926 . 0 0 "[ . 1 . 2]" 1
825 1 30 LEU H 1 45 VAL QG . . 5.420 4.728 4.149 5.431 0.011 9 0 "[ . 1 . 2]" 1
826 1 30 LEU H 1 76 ILE MG . . 4.620 3.660 3.546 3.744 . 0 0 "[ . 1 . 2]" 1
827 1 30 LEU HA 1 31 VAL HA . . 5.720 4.679 4.666 4.689 . 0 0 "[ . 1 . 2]" 1
828 1 30 LEU HA 1 33 ALA H . . 5.040 3.570 3.371 3.728 . 0 0 "[ . 1 . 2]" 1
829 1 30 LEU HA 1 33 ALA MB . . 4.200 2.992 2.586 3.190 . 0 0 "[ . 1 . 2]" 1
830 1 30 LEU HA 1 34 LEU H . . 5.490 4.345 4.212 4.441 . 0 0 "[ . 1 . 2]" 1
831 1 30 LEU HA 1 34 LEU QD . . 4.790 3.275 3.009 3.390 . 0 0 "[ . 1 . 2]" 1
832 1 30 LEU HA 1 43 VAL QG . . 5.390 4.308 4.187 4.394 . 0 0 "[ . 1 . 2]" 1
833 1 30 LEU HA 1 54 VAL QG . . 5.220 4.297 4.124 4.448 . 0 0 "[ . 1 . 2]" 1
834 1 30 LEU HA 1 76 ILE HB . . 5.800 5.355 5.154 5.555 . 0 0 "[ . 1 . 2]" 1
835 1 30 LEU HA 1 76 ILE HG12 . . 6.000 4.151 3.919 4.339 . 0 0 "[ . 1 . 2]" 1
836 1 30 LEU HA 1 76 ILE HG13 . . 6.000 5.706 5.500 5.864 . 0 0 "[ . 1 . 2]" 1
837 1 30 LEU HA 1 76 ILE MD . . 4.870 3.706 3.531 4.025 . 0 0 "[ . 1 . 2]" 1
838 1 30 LEU HA 1 76 ILE MG . . 4.080 2.339 2.119 2.497 . 0 0 "[ . 1 . 2]" 1
839 1 30 LEU HB2 1 31 VAL H . . 4.510 2.791 2.635 2.997 . 0 0 "[ . 1 . 2]" 1
840 1 30 LEU HB2 1 31 VAL HA . . 5.650 4.497 4.389 4.618 . 0 0 "[ . 1 . 2]" 1
841 1 30 LEU HB2 1 31 VAL QG . . 5.130 4.156 4.061 4.338 . 0 0 "[ . 1 . 2]" 1
842 1 30 LEU HB2 1 32 GLU H . . 5.800 5.006 4.903 5.179 . 0 0 "[ . 1 . 2]" 1
843 1 30 LEU HB2 1 34 LEU QD . . 5.750 4.338 4.110 4.948 . 0 0 "[ . 1 . 2]" 1
844 1 30 LEU HB2 1 40 ILE MD . . 5.800 5.447 5.240 5.661 . 0 0 "[ . 1 . 2]" 1
845 1 30 LEU HB2 1 43 VAL HB . . 5.530 4.517 4.377 4.688 . 0 0 "[ . 1 . 2]" 1
846 1 30 LEU HB2 1 43 VAL QG . . 4.060 2.101 1.998 2.198 . 0 0 "[ . 1 . 2]" 1
847 1 30 LEU HB2 1 54 VAL QG . . 4.580 3.666 3.448 3.921 . 0 0 "[ . 1 . 2]" 1
848 1 30 LEU HB3 1 31 VAL H . . 4.790 3.645 3.462 3.730 . 0 0 "[ . 1 . 2]" 1
849 1 30 LEU HB3 1 32 GLU H . . 5.800 5.496 5.394 5.576 . 0 0 "[ . 1 . 2]" 1
850 1 30 LEU HB3 1 34 LEU QD . . 4.880 2.892 2.594 3.758 . 0 0 "[ . 1 . 2]" 1
851 1 30 LEU HB3 1 54 VAL HB . . 5.800 5.433 5.120 5.721 . 0 0 "[ . 1 . 2]" 1
852 1 30 LEU HB3 1 54 VAL QG . . 4.410 2.625 2.408 2.817 . 0 0 "[ . 1 . 2]" 1
853 1 31 VAL H 1 31 VAL HB . . 4.000 2.559 2.488 2.644 . 0 0 "[ . 1 . 2]" 1
854 1 31 VAL H 1 31 VAL QG . . 3.810 2.020 1.913 2.125 . 0 0 "[ . 1 . 2]" 1
855 1 31 VAL H 1 32 GLU H . . 4.100 2.466 2.430 2.504 . 0 0 "[ . 1 . 2]" 1
856 1 31 VAL H 1 32 GLU HG2 . . 5.490 4.540 4.151 5.559 0.069 2 0 "[ . 1 . 2]" 1
857 1 31 VAL H 1 32 GLU HG3 . . 5.630 5.284 4.100 5.694 0.064 6 0 "[ . 1 . 2]" 1
858 1 31 VAL H 1 33 ALA H . . 5.170 3.912 3.817 3.984 . 0 0 "[ . 1 . 2]" 1
859 1 31 VAL H 1 33 ALA MB . . 5.590 4.991 4.794 5.071 . 0 0 "[ . 1 . 2]" 1
860 1 31 VAL H 1 34 LEU HB2 . . 5.690 5.396 5.353 5.495 . 0 0 "[ . 1 . 2]" 1
861 1 31 VAL H 1 40 ILE MD . . 5.660 4.637 4.536 4.754 . 0 0 "[ . 1 . 2]" 1
862 1 31 VAL H 1 43 VAL MG1 . . 5.120 3.593 3.372 3.821 . 0 0 "[ . 1 . 2]" 1
863 1 31 VAL H 1 43 VAL MG2 . . 5.120 3.595 3.408 3.715 . 0 0 "[ . 1 . 2]" 1
864 1 31 VAL H 1 43 VAL QG . . 4.650 3.199 3.076 3.355 . 0 0 "[ . 1 . 2]" 1
865 1 31 VAL H 1 54 VAL MG1 . . 5.770 5.746 5.664 5.833 0.063 13 0 "[ . 1 . 2]" 1
866 1 31 VAL H 1 54 VAL MG2 . . 5.770 5.100 4.921 5.229 . 0 0 "[ . 1 . 2]" 1
867 1 31 VAL H 1 54 VAL QG . . 5.290 4.772 4.652 4.868 . 0 0 "[ . 1 . 2]" 1
868 1 31 VAL H 1 76 ILE MG . . 5.430 5.043 4.911 5.155 . 0 0 "[ . 1 . 2]" 1
869 1 31 VAL HA 1 32 GLU HA . . 5.560 4.695 4.660 4.715 . 0 0 "[ . 1 . 2]" 1
870 1 31 VAL HA 1 33 ALA H . . 5.080 3.996 3.910 4.045 . 0 0 "[ . 1 . 2]" 1
871 1 31 VAL HA 1 33 ALA MB . . 5.640 5.299 5.086 5.397 . 0 0 "[ . 1 . 2]" 1
872 1 31 VAL HA 1 34 LEU H . . 4.770 3.466 3.421 3.498 . 0 0 "[ . 1 . 2]" 1
873 1 31 VAL HA 1 34 LEU HA . . 5.800 5.841 5.814 5.871 0.071 17 0 "[ . 1 . 2]" 1
874 1 31 VAL HA 1 34 LEU HB2 . . 5.630 3.404 3.339 3.495 . 0 0 "[ . 1 . 2]" 1
875 1 31 VAL HA 1 34 LEU HB3 . . 5.620 5.040 4.711 5.162 . 0 0 "[ . 1 . 2]" 1
876 1 31 VAL HA 1 34 LEU QD . . 4.930 4.188 4.110 4.296 . 0 0 "[ . 1 . 2]" 1
877 1 31 VAL HA 1 35 GLN H . . 4.820 3.935 3.828 4.051 . 0 0 "[ . 1 . 2]" 1
878 1 31 VAL HA 1 35 GLN HB3 . . 5.240 4.056 3.908 4.354 . 0 0 "[ . 1 . 2]" 1
879 1 31 VAL HA 1 35 GLN QG . . 5.550 4.787 4.579 4.983 . 0 0 "[ . 1 . 2]" 1
880 1 31 VAL HA 1 40 ILE HB . . 5.450 4.469 4.262 4.630 . 0 0 "[ . 1 . 2]" 1
881 1 31 VAL HA 1 40 ILE MD . . 4.020 2.268 2.166 2.376 . 0 0 "[ . 1 . 2]" 1
882 1 31 VAL HA 1 40 ILE MG . . 4.880 3.473 3.279 3.597 . 0 0 "[ . 1 . 2]" 1
883 1 31 VAL HA 1 43 VAL MG1 . . 5.450 4.372 4.003 4.625 . 0 0 "[ . 1 . 2]" 1
884 1 31 VAL HA 1 43 VAL MG2 . . 5.450 3.065 2.783 3.267 . 0 0 "[ . 1 . 2]" 1
885 1 31 VAL HA 1 43 VAL QG . . 5.110 3.008 2.734 3.202 . 0 0 "[ . 1 . 2]" 1
886 1 31 VAL HA 1 54 VAL MG1 . . 5.530 4.155 3.959 4.236 . 0 0 "[ . 1 . 2]" 1
887 1 31 VAL HA 1 54 VAL MG2 . . 5.530 4.482 4.124 4.669 . 0 0 "[ . 1 . 2]" 1
888 1 31 VAL HA 1 54 VAL QG . . 4.960 3.827 3.595 3.935 . 0 0 "[ . 1 . 2]" 1
889 1 31 VAL HB 1 32 GLU H . . 4.970 4.071 4.038 4.109 . 0 0 "[ . 1 . 2]" 1
890 1 31 VAL HB 1 43 VAL QG . . 4.000 2.242 2.134 2.410 . 0 0 "[ . 1 . 2]" 1
891 1 31 VAL MG1 1 32 GLU H . . 4.900 2.372 2.347 2.397 . 0 0 "[ . 1 . 2]" 1
892 1 31 VAL MG1 1 33 ALA H . . 5.600 4.312 4.273 4.344 . 0 0 "[ . 1 . 2]" 1
893 1 31 VAL MG2 1 32 GLU H . . 4.900 3.900 3.818 3.974 . 0 0 "[ . 1 . 2]" 1
894 1 31 VAL MG2 1 32 GLU HA . . 5.030 3.881 3.815 3.954 . 0 0 "[ . 1 . 2]" 1
895 1 31 VAL MG2 1 33 ALA H . . 5.600 5.016 4.977 5.063 . 0 0 "[ . 1 . 2]" 1
896 1 31 VAL QG 1 32 GLU H . . 4.400 2.352 2.328 2.376 . 0 0 "[ . 1 . 2]" 1
897 1 31 VAL QG 1 32 GLU HA . . 4.530 3.189 3.131 3.256 . 0 0 "[ . 1 . 2]" 1
898 1 31 VAL QG 1 32 GLU HB2 . . 4.890 3.714 3.677 3.750 . 0 0 "[ . 1 . 2]" 1
899 1 31 VAL QG 1 32 GLU HG2 . . 4.830 2.317 2.115 2.906 . 0 0 "[ . 1 . 2]" 1
900 1 31 VAL QG 1 32 GLU HG3 . . 4.890 3.230 2.084 3.631 . 0 0 "[ . 1 . 2]" 1
901 1 31 VAL QG 1 33 ALA H . . 5.150 4.075 4.042 4.107 . 0 0 "[ . 1 . 2]" 1
902 1 31 VAL QG 1 35 GLN H . . 4.890 4.121 4.078 4.171 . 0 0 "[ . 1 . 2]" 1
903 1 31 VAL QG 1 35 GLN HA . . 5.260 4.561 4.506 4.634 . 0 0 "[ . 1 . 2]" 1
904 1 31 VAL QG 1 35 GLN HB3 . . 4.040 2.995 2.927 3.112 . 0 0 "[ . 1 . 2]" 1
905 1 31 VAL QG 1 35 GLN QG . . 4.780 3.896 3.415 4.070 . 0 0 "[ . 1 . 2]" 1
906 1 31 VAL QG 1 39 PRO HA . . 5.770 5.745 5.647 5.803 0.033 9 0 "[ . 1 . 2]" 1
907 1 31 VAL QG 1 40 ILE H . . 5.150 4.439 4.317 4.514 . 0 0 "[ . 1 . 2]" 1
908 1 31 VAL QG 1 40 ILE HB . . 4.750 2.581 2.437 2.679 . 0 0 "[ . 1 . 2]" 1
909 1 31 VAL QG 1 40 ILE MD . . 3.610 2.159 2.091 2.226 . 0 0 "[ . 1 . 2]" 1
910 1 31 VAL QG 1 43 VAL QG . . 3.540 2.756 2.467 2.942 . 0 0 "[ . 1 . 2]" 1
911 1 31 VAL QG 1 54 VAL QG . . 5.750 3.979 3.727 4.087 . 0 0 "[ . 1 . 2]" 1
912 1 32 GLU H 1 32 GLU HG2 . . 4.470 2.759 2.455 3.589 . 0 0 "[ . 1 . 2]" 1
913 1 32 GLU H 1 32 GLU HG3 . . 4.480 3.429 2.441 3.778 . 0 0 "[ . 1 . 2]" 1
914 1 32 GLU H 1 33 ALA H . . 4.190 2.456 2.414 2.490 . 0 0 "[ . 1 . 2]" 1
915 1 32 GLU H 1 33 ALA HA . . 5.730 5.100 5.053 5.126 . 0 0 "[ . 1 . 2]" 1
916 1 32 GLU H 1 33 ALA MB . . 5.250 4.118 4.048 4.145 . 0 0 "[ . 1 . 2]" 1
917 1 32 GLU H 1 34 LEU H . . 5.200 4.026 3.976 4.129 . 0 0 "[ . 1 . 2]" 1
918 1 32 GLU H 1 35 GLN H . . 5.520 4.918 4.868 4.957 . 0 0 "[ . 1 . 2]" 1
919 1 32 GLU H 1 35 GLN QG . . 5.510 4.766 4.459 4.855 . 0 0 "[ . 1 . 2]" 1
920 1 32 GLU H 1 40 ILE MD . . 5.520 4.953 4.844 5.027 . 0 0 "[ . 1 . 2]" 1
921 1 32 GLU HA 1 32 GLU HG2 . . 4.290 2.824 2.390 2.992 . 0 0 "[ . 1 . 2]" 1
922 1 32 GLU HA 1 33 ALA H . . 4.610 3.469 3.442 3.487 . 0 0 "[ . 1 . 2]" 1
923 1 32 GLU HA 1 33 ALA HA . . 5.440 4.593 4.563 4.633 . 0 0 "[ . 1 . 2]" 1
924 1 32 GLU HA 1 33 ALA MB . . 5.600 4.900 4.880 4.920 . 0 0 "[ . 1 . 2]" 1
925 1 32 GLU HA 1 34 LEU H . . 5.400 4.220 4.132 4.409 . 0 0 "[ . 1 . 2]" 1
926 1 32 GLU HA 1 35 GLN H . . 5.030 3.870 3.726 4.008 . 0 0 "[ . 1 . 2]" 1
927 1 32 GLU HA 1 35 GLN HB2 . . 5.680 5.098 4.867 5.290 . 0 0 "[ . 1 . 2]" 1
928 1 32 GLU HA 1 35 GLN HB3 . . 5.510 4.057 3.801 4.241 . 0 0 "[ . 1 . 2]" 1
929 1 32 GLU HA 1 35 GLN HG2 . . 4.890 2.736 2.555 2.898 . 0 0 "[ . 1 . 2]" 1
930 1 32 GLU HA 1 35 GLN HG3 . . 4.890 3.983 2.569 4.273 . 0 0 "[ . 1 . 2]" 1
931 1 32 GLU HA 1 35 GLN QG . . 4.450 2.668 2.336 2.853 . 0 0 "[ . 1 . 2]" 1
932 1 32 GLU HB2 1 33 ALA H . . 4.610 3.287 3.206 3.384 . 0 0 "[ . 1 . 2]" 1
933 1 32 GLU HB2 1 33 ALA HA . . 5.460 4.709 4.638 4.764 . 0 0 "[ . 1 . 2]" 1
934 1 32 GLU HB2 1 33 ALA MB . . 5.040 3.983 3.913 4.082 . 0 0 "[ . 1 . 2]" 1
935 1 32 GLU HB2 1 76 ILE MG . . 5.800 5.502 5.246 5.686 . 0 0 "[ . 1 . 2]" 1
936 1 32 GLU HB3 1 33 ALA MB . . 5.600 4.615 4.519 4.760 . 0 0 "[ . 1 . 2]" 1
937 1 32 GLU HB3 1 35 GLN QG . . 5.510 4.593 4.271 4.841 . 0 0 "[ . 1 . 2]" 1
938 1 32 GLU HG2 1 33 ALA H . . 5.330 4.768 4.595 5.191 . 0 0 "[ . 1 . 2]" 1
939 1 32 GLU HG3 1 33 ALA H . . 5.510 5.244 4.582 5.504 . 0 0 "[ . 1 . 2]" 1
940 1 33 ALA H 1 34 LEU H . . 4.090 2.249 2.198 2.298 . 0 0 "[ . 1 . 2]" 1
941 1 33 ALA H 1 34 LEU HA . . 5.580 4.933 4.888 4.980 . 0 0 "[ . 1 . 2]" 1
942 1 33 ALA H 1 34 LEU HB2 . . 5.340 4.383 4.251 4.466 . 0 0 "[ . 1 . 2]" 1
943 1 33 ALA H 1 34 LEU QD . . 5.670 4.330 3.707 4.447 . 0 0 "[ . 1 . 2]" 1
944 1 33 ALA H 1 35 GLN H . . 4.930 3.786 3.732 3.837 . 0 0 "[ . 1 . 2]" 1
945 1 33 ALA H 1 35 GLN HB3 . . 5.720 5.515 5.407 5.566 . 0 0 "[ . 1 . 2]" 1
946 1 33 ALA H 1 35 GLN QG . . 5.460 4.209 4.069 4.319 . 0 0 "[ . 1 . 2]" 1
947 1 33 ALA H 1 36 GLU H . . 5.800 5.696 5.538 5.787 . 0 0 "[ . 1 . 2]" 1
948 1 33 ALA H 1 40 ILE MD . . 5.490 4.813 4.647 4.907 . 0 0 "[ . 1 . 2]" 1
949 1 33 ALA H 1 76 ILE HA . . 5.510 4.847 4.782 4.953 . 0 0 "[ . 1 . 2]" 1
950 1 33 ALA H 1 76 ILE MG . . 5.400 4.206 4.010 4.529 . 0 0 "[ . 1 . 2]" 1
951 1 33 ALA HA 1 34 LEU H . . 4.680 3.468 3.436 3.559 . 0 0 "[ . 1 . 2]" 1
952 1 33 ALA HA 1 34 LEU HA . . 5.380 4.545 4.517 4.580 . 0 0 "[ . 1 . 2]" 1
953 1 33 ALA HA 1 35 GLN H . . 5.320 4.334 4.277 4.419 . 0 0 "[ . 1 . 2]" 1
954 1 33 ALA HA 1 74 ILE MD . . 5.240 4.539 4.103 4.800 . 0 0 "[ . 1 . 2]" 1
955 1 33 ALA HA 1 76 ILE HA . . 5.620 4.552 4.283 4.783 . 0 0 "[ . 1 . 2]" 1
956 1 33 ALA MB 1 34 LEU H . . 4.430 3.152 2.904 3.233 . 0 0 "[ . 1 . 2]" 1
957 1 33 ALA MB 1 34 LEU HA . . 5.070 4.130 4.016 4.171 . 0 0 "[ . 1 . 2]" 1
958 1 33 ALA MB 1 34 LEU HB2 . . 5.470 4.489 4.092 4.597 . 0 0 "[ . 1 . 2]" 1
959 1 33 ALA MB 1 34 LEU QD . . 4.220 3.194 2.354 3.358 . 0 0 "[ . 1 . 2]" 1
960 1 33 ALA MB 1 35 GLN H . . 5.360 4.705 4.561 4.765 . 0 0 "[ . 1 . 2]" 1
961 1 33 ALA MB 1 40 ILE MD . . 5.680 5.398 5.113 5.477 . 0 0 "[ . 1 . 2]" 1
962 1 33 ALA MB 1 74 ILE MD . . 4.230 3.133 2.762 3.365 . 0 0 "[ . 1 . 2]" 1
963 1 33 ALA MB 1 75 TYR H . . 5.450 4.823 4.289 5.007 . 0 0 "[ . 1 . 2]" 1
964 1 33 ALA MB 1 75 TYR HB2 . . 5.600 4.701 4.345 4.978 . 0 0 "[ . 1 . 2]" 1
965 1 33 ALA MB 1 75 TYR HB3 . . 5.620 4.850 4.573 5.091 . 0 0 "[ . 1 . 2]" 1
966 1 33 ALA MB 1 76 ILE H . . 5.210 4.336 4.274 4.393 . 0 0 "[ . 1 . 2]" 1
967 1 33 ALA MB 1 76 ILE HA . . 4.340 2.086 2.019 2.206 . 0 0 "[ . 1 . 2]" 1
968 1 33 ALA MB 1 76 ILE HG12 . . 4.640 2.873 2.533 3.182 . 0 0 "[ . 1 . 2]" 1
969 1 33 ALA MB 1 76 ILE MG . . 4.280 2.521 2.330 2.887 . 0 0 "[ . 1 . 2]" 1
970 1 33 ALA MB 1 77 ALA HA . . 5.750 5.005 4.901 5.263 . 0 0 "[ . 1 . 2]" 1
971 1 33 ALA MB 1 78 GLY H . . 5.740 5.163 4.963 5.425 . 0 0 "[ . 1 . 2]" 1
972 1 34 LEU H 1 34 LEU HB2 . . 4.090 2.541 2.302 2.607 . 0 0 "[ . 1 . 2]" 1
973 1 34 LEU H 1 34 LEU MD1 . . 5.070 3.822 2.843 4.003 . 0 0 "[ . 1 . 2]" 1
974 1 34 LEU H 1 34 LEU MD2 . . 5.070 3.879 3.771 4.246 . 0 0 "[ . 1 . 2]" 1
975 1 34 LEU H 1 34 LEU QD . . 4.730 3.395 2.800 3.487 . 0 0 "[ . 1 . 2]" 1
976 1 34 LEU H 1 35 GLN H . . 4.130 2.114 2.041 2.315 . 0 0 "[ . 1 . 2]" 1
977 1 34 LEU H 1 35 GLN HA . . 5.560 4.689 4.623 4.851 . 0 0 "[ . 1 . 2]" 1
978 1 34 LEU H 1 35 GLN HB3 . . 5.370 4.341 4.271 4.521 . 0 0 "[ . 1 . 2]" 1
979 1 34 LEU H 1 35 GLN QG . . 5.100 3.516 3.435 3.688 . 0 0 "[ . 1 . 2]" 1
980 1 34 LEU H 1 36 GLU H . . 5.240 4.018 3.865 4.207 . 0 0 "[ . 1 . 2]" 1
981 1 34 LEU H 1 40 ILE MD . . 4.650 3.436 3.251 3.511 . 0 0 "[ . 1 . 2]" 1
982 1 34 LEU H 1 54 VAL QG . . 5.770 4.844 4.416 5.055 . 0 0 "[ . 1 . 2]" 1
983 1 34 LEU H 1 56 PHE HZ . . 5.680 5.708 5.592 5.743 0.063 8 0 "[ . 1 . 2]" 1
984 1 34 LEU H 1 74 ILE MD . . 5.540 5.427 5.290 5.554 0.014 18 0 "[ . 1 . 2]" 1
985 1 34 LEU H 1 76 ILE MG . . 5.800 5.243 4.956 5.685 . 0 0 "[ . 1 . 2]" 1
986 1 34 LEU HA 1 34 LEU QD . . 3.890 2.063 1.992 2.450 . 0 0 "[ . 1 . 2]" 1
987 1 34 LEU HA 1 35 GLN QG . . 5.630 4.867 4.781 5.031 . 0 0 "[ . 1 . 2]" 1
988 1 34 LEU HA 1 36 GLU H . . 5.320 3.195 3.108 3.248 . 0 0 "[ . 1 . 2]" 1
989 1 34 LEU HA 1 37 PHE H . . 5.010 3.781 3.666 3.945 . 0 0 "[ . 1 . 2]" 1
990 1 34 LEU HA 1 37 PHE HB2 . . 5.760 4.266 4.042 4.359 . 0 0 "[ . 1 . 2]" 1
991 1 34 LEU HA 1 37 PHE HB3 . . 5.800 5.749 5.508 5.820 0.020 12 0 "[ . 1 . 2]" 1
992 1 34 LEU HA 1 37 PHE HZ . . 5.620 5.280 5.113 5.404 . 0 0 "[ . 1 . 2]" 1
993 1 34 LEU HA 1 37 PHE QE . . 5.210 3.118 2.941 3.430 . 0 0 "[ . 1 . 2]" 1
994 1 34 LEU HA 1 38 GLY H . . 5.800 5.584 5.370 5.656 . 0 0 "[ . 1 . 2]" 1
995 1 34 LEU HA 1 40 ILE MD . . 5.110 4.098 3.980 4.146 . 0 0 "[ . 1 . 2]" 1
996 1 34 LEU HA 1 56 PHE HZ . . 4.940 4.131 3.825 4.214 . 0 0 "[ . 1 . 2]" 1
997 1 34 LEU HA 1 65 ALA MB . . 5.030 4.345 4.099 4.483 . 0 0 "[ . 1 . 2]" 1
998 1 34 LEU HB2 1 35 GLN H . . 4.740 3.494 3.442 3.643 . 0 0 "[ . 1 . 2]" 1
999 1 34 LEU HB2 1 37 PHE H . . 5.800 5.620 5.538 5.772 . 0 0 "[ . 1 . 2]" 1
1000 1 34 LEU HB2 1 37 PHE QD . . 5.410 4.596 4.526 4.761 . 0 0 "[ . 1 . 2]" 1
1001 1 34 LEU HB2 1 40 ILE MD . . 4.160 2.394 2.236 2.579 . 0 0 "[ . 1 . 2]" 1
1002 1 34 LEU HB2 1 54 VAL MG1 . . 5.640 3.251 3.010 3.439 . 0 0 "[ . 1 . 2]" 1
1003 1 34 LEU HB2 1 54 VAL MG2 . . 5.640 3.712 3.342 4.032 . 0 0 "[ . 1 . 2]" 1
1004 1 34 LEU HB2 1 54 VAL QG . . 5.280 3.054 2.811 3.257 . 0 0 "[ . 1 . 2]" 1
1005 1 34 LEU HB2 1 56 PHE HZ . . 5.680 3.662 3.544 3.879 . 0 0 "[ . 1 . 2]" 1
1006 1 34 LEU HB2 1 56 PHE QE . . 5.560 4.423 4.322 4.548 . 0 0 "[ . 1 . 2]" 1
1007 1 34 LEU HB3 1 35 GLN H . . 5.130 4.231 3.954 4.296 . 0 0 "[ . 1 . 2]" 1
1008 1 34 LEU HB3 1 37 PHE QD . . 5.100 3.119 2.979 3.487 . 0 0 "[ . 1 . 2]" 1
1009 1 34 LEU HB3 1 37 PHE QE . . 5.660 4.490 4.309 5.085 . 0 0 "[ . 1 . 2]" 1
1010 1 34 LEU HB3 1 54 VAL QG . . 5.520 3.276 2.876 3.588 . 0 0 "[ . 1 . 2]" 1
1011 1 34 LEU HB3 1 56 PHE HZ . . 5.390 2.221 2.108 2.313 . 0 0 "[ . 1 . 2]" 1
1012 1 34 LEU HB3 1 56 PHE QD . . 5.600 5.385 4.915 5.523 . 0 0 "[ . 1 . 2]" 1
1013 1 34 LEU HB3 1 56 PHE QE . . 5.400 3.501 3.184 3.606 . 0 0 "[ . 1 . 2]" 1
1014 1 34 LEU MD1 1 35 GLN H . . 5.610 5.093 4.464 5.222 . 0 0 "[ . 1 . 2]" 1
1015 1 34 LEU MD1 1 56 PHE HZ . . 5.030 3.581 3.312 4.380 . 0 0 "[ . 1 . 2]" 1
1016 1 34 LEU MD1 1 56 PHE QE . . 4.790 3.747 3.435 4.862 0.072 9 0 "[ . 1 . 2]" 1
1017 1 34 LEU MD2 1 35 GLN H . . 5.610 4.882 4.800 5.360 . 0 0 "[ . 1 . 2]" 1
1018 1 34 LEU MD2 1 56 PHE HZ . . 5.030 3.421 2.422 3.637 . 0 0 "[ . 1 . 2]" 1
1019 1 34 LEU MD2 1 56 PHE QE . . 4.790 4.133 2.353 4.421 . 0 0 "[ . 1 . 2]" 1
1020 1 34 LEU QD 1 37 PHE HB2 . . 5.380 4.345 4.163 4.574 . 0 0 "[ . 1 . 2]" 1
1021 1 34 LEU QD 1 37 PHE HB3 . . 5.620 5.282 5.101 5.557 . 0 0 "[ . 1 . 2]" 1
1022 1 34 LEU QD 1 37 PHE HZ . . 5.100 4.252 4.095 4.946 . 0 0 "[ . 1 . 2]" 1
1023 1 34 LEU QD 1 37 PHE QE . . 4.030 2.255 2.098 3.073 . 0 0 "[ . 1 . 2]" 1
1024 1 34 LEU QD 1 40 ILE MD . . 4.770 3.422 3.294 3.592 . 0 0 "[ . 1 . 2]" 1
1025 1 34 LEU QD 1 54 VAL H . . 5.510 5.154 4.656 5.288 . 0 0 "[ . 1 . 2]" 1
1026 1 34 LEU QD 1 54 VAL HA . . 5.370 4.967 4.717 5.101 . 0 0 "[ . 1 . 2]" 1
1027 1 34 LEU QD 1 54 VAL HB . . 4.380 3.246 2.649 3.360 . 0 0 "[ . 1 . 2]" 1
1028 1 34 LEU QD 1 54 VAL QG . . 3.730 1.941 1.897 2.050 . 0 0 "[ . 1 . 2]" 1
1029 1 34 LEU QD 1 56 PHE HZ . . 4.500 3.056 2.411 3.227 . 0 0 "[ . 1 . 2]" 1
1030 1 34 LEU QD 1 56 PHE QE . . 4.370 3.342 2.348 3.595 . 0 0 "[ . 1 . 2]" 1
1031 1 34 LEU QD 1 62 ALA HA . . 5.770 5.462 4.799 5.600 . 0 0 "[ . 1 . 2]" 1
1032 1 34 LEU QD 1 65 ALA H . . 5.770 5.634 5.525 5.800 0.030 13 0 "[ . 1 . 2]" 1
1033 1 34 LEU QD 1 65 ALA HA . . 4.930 4.266 4.104 4.830 . 0 0 "[ . 1 . 2]" 1
1034 1 34 LEU QD 1 65 ALA MB . . 3.900 2.732 2.634 2.935 . 0 0 "[ . 1 . 2]" 1
1035 1 34 LEU QD 1 66 VAL HA . . 5.770 5.799 5.771 5.823 0.053 12 0 "[ . 1 . 2]" 1
1036 1 34 LEU QD 1 69 ALA MB . . 5.430 4.464 4.258 4.875 . 0 0 "[ . 1 . 2]" 1
1037 1 34 LEU QD 1 74 ILE HG12 . . 5.400 4.470 4.255 4.982 . 0 0 "[ . 1 . 2]" 1
1038 1 34 LEU QD 1 74 ILE MD . . 4.180 2.635 2.366 2.914 . 0 0 "[ . 1 . 2]" 1
1039 1 34 LEU QD 1 74 ILE MG . . 4.030 2.744 2.634 3.116 . 0 0 "[ . 1 . 2]" 1
1040 1 34 LEU QD 1 83 VAL HA . . 5.770 4.913 4.786 5.075 . 0 0 "[ . 1 . 2]" 1
1041 1 34 LEU QD 1 83 VAL HB . . 4.390 3.229 3.134 3.387 . 0 0 "[ . 1 . 2]" 1
1042 1 34 LEU QD 1 83 VAL QG . . 3.880 2.390 2.159 2.490 . 0 0 "[ . 1 . 2]" 1
1043 1 35 GLN H 1 35 GLN HG2 . . 4.620 2.150 1.976 3.450 . 0 0 "[ . 1 . 2]" 1
1044 1 35 GLN H 1 35 GLN HG3 . . 4.620 3.124 2.013 3.288 . 0 0 "[ . 1 . 2]" 1
1045 1 35 GLN H 1 35 GLN QG . . 4.060 1.990 1.958 2.019 . 0 0 "[ . 1 . 2]" 1
1046 1 35 GLN H 1 36 GLU H . . 4.560 2.682 2.553 2.733 . 0 0 "[ . 1 . 2]" 1
1047 1 35 GLN H 1 36 GLU HB2 . . 5.720 4.675 4.587 4.734 . 0 0 "[ . 1 . 2]" 1
1048 1 35 GLN H 1 36 GLU HB3 . . 5.800 5.104 4.960 5.985 0.185 15 0 "[ . 1 . 2]" 1
1049 1 35 GLN H 1 37 PHE H . . 5.410 4.417 4.364 4.446 . 0 0 "[ . 1 . 2]" 1
1050 1 35 GLN H 1 38 GLY H . . 5.720 5.327 5.270 5.364 . 0 0 "[ . 1 . 2]" 1
1051 1 35 GLN H 1 40 ILE HB . . 5.800 5.777 5.659 5.835 0.035 15 0 "[ . 1 . 2]" 1
1052 1 35 GLN H 1 40 ILE MD . . 4.430 2.942 2.865 3.002 . 0 0 "[ . 1 . 2]" 1
1053 1 35 GLN H 1 40 ILE MG . . 5.800 5.697 5.623 5.771 . 0 0 "[ . 1 . 2]" 1
1054 1 35 GLN H 1 56 PHE HZ . . 5.600 5.632 5.601 5.676 0.076 17 0 "[ . 1 . 2]" 1
1055 1 35 GLN H 1 56 PHE QE . . 5.740 5.262 5.210 5.301 . 0 0 "[ . 1 . 2]" 1
1056 1 35 GLN HA 1 37 PHE H . . 5.000 3.471 3.292 3.572 . 0 0 "[ . 1 . 2]" 1
1057 1 35 GLN HA 1 37 PHE QD . . 5.740 5.365 5.284 5.575 . 0 0 "[ . 1 . 2]" 1
1058 1 35 GLN HA 1 38 GLY H . . 4.560 3.111 3.045 3.180 . 0 0 "[ . 1 . 2]" 1
1059 1 35 GLN HA 1 40 ILE H . . 5.260 4.574 4.547 4.618 . 0 0 "[ . 1 . 2]" 1
1060 1 35 GLN HA 1 40 ILE MD . . 4.490 2.618 2.518 2.786 . 0 0 "[ . 1 . 2]" 1
1061 1 35 GLN HB2 1 36 GLU HA . . 5.450 4.813 4.753 4.905 . 0 0 "[ . 1 . 2]" 1
1062 1 35 GLN HB2 1 37 PHE H . . 5.640 5.206 5.024 5.287 . 0 0 "[ . 1 . 2]" 1
1063 1 35 GLN HB2 1 38 GLY H . . 5.580 4.687 4.604 4.887 . 0 0 "[ . 1 . 2]" 1
1064 1 35 GLN HB2 1 40 ILE H . . 5.680 4.609 4.427 5.015 . 0 0 "[ . 1 . 2]" 1
1065 1 35 GLN HB2 1 40 ILE MD . . 4.940 3.772 3.623 3.936 . 0 0 "[ . 1 . 2]" 1
1066 1 35 GLN HB3 1 38 GLY H . . 5.800 5.441 5.391 5.554 . 0 0 "[ . 1 . 2]" 1
1067 1 35 GLN HB3 1 40 ILE MD . . 4.900 2.530 2.384 2.696 . 0 0 "[ . 1 . 2]" 1
1068 1 35 GLN HG2 1 36 GLU H . . 5.240 3.432 3.219 4.852 . 0 0 "[ . 1 . 2]" 1
1069 1 35 GLN HG2 1 36 GLU HB2 . . 5.800 4.578 4.285 5.801 0.001 16 0 "[ . 1 . 2]" 1
1070 1 35 GLN HG2 1 40 ILE MD . . 5.350 4.152 4.066 4.455 . 0 0 "[ . 1 . 2]" 1
1071 1 35 GLN HG3 1 36 GLU H . . 5.240 3.264 3.146 3.382 . 0 0 "[ . 1 . 2]" 1
1072 1 35 GLN HG3 1 40 ILE MD . . 5.350 4.838 4.078 4.997 . 0 0 "[ . 1 . 2]" 1
1073 1 35 GLN QG 1 36 GLU H . . 4.680 2.947 2.834 3.321 . 0 0 "[ . 1 . 2]" 1
1074 1 35 GLN QG 1 36 GLU HB3 . . 5.720 4.737 4.530 5.249 . 0 0 "[ . 1 . 2]" 1
1075 1 35 GLN QG 1 37 PHE H . . 5.530 4.724 4.600 5.251 . 0 0 "[ . 1 . 2]" 1
1076 1 35 GLN QG 1 40 ILE MD . . 4.920 3.908 3.751 3.982 . 0 0 "[ . 1 . 2]" 1
1077 1 36 GLU H 1 37 PHE H . . 4.450 2.506 2.415 2.595 . 0 0 "[ . 1 . 2]" 1
1078 1 36 GLU H 1 37 PHE HA . . 5.770 5.132 5.057 5.177 . 0 0 "[ . 1 . 2]" 1
1079 1 36 GLU HA 1 38 GLY H . . 5.160 4.116 4.039 4.192 . 0 0 "[ . 1 . 2]" 1
1080 1 36 GLU HB3 1 37 PHE H . . 4.790 3.386 3.186 4.278 . 0 0 "[ . 1 . 2]" 1
1081 1 36 GLU HB3 1 38 GLY H . . 5.800 5.295 5.190 5.790 . 0 0 "[ . 1 . 2]" 1
1082 1 37 PHE H 1 37 PHE HB2 . . 4.390 2.448 2.410 2.507 . 0 0 "[ . 1 . 2]" 1
1083 1 37 PHE H 1 37 PHE QD . . 5.140 3.158 3.079 3.335 . 0 0 "[ . 1 . 2]" 1
1084 1 37 PHE H 1 38 GLY H . . 4.020 2.195 2.000 2.293 . 0 0 "[ . 1 . 2]" 1
1085 1 37 PHE H 1 38 GLY HA2 . . 5.620 4.822 4.649 4.907 . 0 0 "[ . 1 . 2]" 1
1086 1 37 PHE H 1 38 GLY HA3 . . 5.560 4.832 4.660 4.926 . 0 0 "[ . 1 . 2]" 1
1087 1 37 PHE H 1 40 ILE MD . . 5.390 4.735 4.665 4.795 . 0 0 "[ . 1 . 2]" 1
1088 1 37 PHE H 1 56 PHE QE . . 5.100 3.640 3.561 3.716 . 0 0 "[ . 1 . 2]" 1
1089 1 37 PHE H 1 64 ASN QB . . 5.740 5.283 4.977 5.645 . 0 0 "[ . 1 . 2]" 1
1090 1 37 PHE H 1 65 ALA HA . . 5.800 5.484 5.372 5.716 . 0 0 "[ . 1 . 2]" 1
1091 1 37 PHE H 1 65 ALA MB . . 5.510 4.562 4.462 4.657 . 0 0 "[ . 1 . 2]" 1
1092 1 37 PHE HA 1 37 PHE QE . . 5.390 4.479 4.417 4.537 . 0 0 "[ . 1 . 2]" 1
1093 1 37 PHE HA 1 38 GLY H . . 4.720 3.472 3.450 3.489 . 0 0 "[ . 1 . 2]" 1
1094 1 37 PHE HA 1 56 PHE QE . . 5.710 5.222 5.117 5.294 . 0 0 "[ . 1 . 2]" 1
1095 1 37 PHE HA 1 65 ALA HA . . 5.610 4.875 4.715 5.072 . 0 0 "[ . 1 . 2]" 1
1096 1 37 PHE HA 1 65 ALA MB . . 5.670 4.814 4.663 4.948 . 0 0 "[ . 1 . 2]" 1
1097 1 37 PHE HB2 1 38 GLY H . . 4.620 3.206 3.133 3.292 . 0 0 "[ . 1 . 2]" 1
1098 1 37 PHE HB2 1 56 PHE QE . . 5.240 2.901 2.831 2.969 . 0 0 "[ . 1 . 2]" 1
1099 1 37 PHE HB2 1 64 ASN H . . 5.800 5.258 5.015 5.453 . 0 0 "[ . 1 . 2]" 1
1100 1 37 PHE HB2 1 65 ALA H . . 5.490 4.229 4.104 4.807 . 0 0 "[ . 1 . 2]" 1
1101 1 37 PHE HB2 1 65 ALA HA . . 5.800 3.577 3.408 3.701 . 0 0 "[ . 1 . 2]" 1
1102 1 37 PHE HB2 1 65 ALA MB . . 4.750 2.507 2.318 2.615 . 0 0 "[ . 1 . 2]" 1
1103 1 37 PHE HB3 1 38 GLY H . . 5.180 4.120 4.075 4.189 . 0 0 "[ . 1 . 2]" 1
1104 1 37 PHE HB3 1 56 PHE HZ . . 5.320 4.689 4.417 4.787 . 0 0 "[ . 1 . 2]" 1
1105 1 37 PHE HB3 1 56 PHE QE . . 5.220 4.225 4.157 4.317 . 0 0 "[ . 1 . 2]" 1
1106 1 37 PHE HB3 1 64 ASN H . . 5.140 4.003 3.788 4.197 . 0 0 "[ . 1 . 2]" 1
1107 1 37 PHE HB3 1 64 ASN HB2 . . 5.200 3.369 2.196 4.400 . 0 0 "[ . 1 . 2]" 1
1108 1 37 PHE HB3 1 64 ASN HB3 . . 5.200 2.521 2.258 2.760 . 0 0 "[ . 1 . 2]" 1
1109 1 37 PHE HB3 1 64 ASN QB . . 4.860 2.284 2.096 2.678 . 0 0 "[ . 1 . 2]" 1
1110 1 37 PHE HB3 1 65 ALA H . . 4.720 3.278 3.169 3.760 . 0 0 "[ . 1 . 2]" 1
1111 1 37 PHE HB3 1 65 ALA HA . . 5.650 3.026 2.788 3.231 . 0 0 "[ . 1 . 2]" 1
1112 1 37 PHE HB3 1 65 ALA MB . . 5.080 2.798 2.633 2.951 . 0 0 "[ . 1 . 2]" 1
1113 1 37 PHE HZ 1 65 ALA HA . . 5.450 4.161 3.956 4.370 . 0 0 "[ . 1 . 2]" 1
1114 1 37 PHE HZ 1 68 TYR H . . 5.650 5.362 5.259 5.518 . 0 0 "[ . 1 . 2]" 1
1115 1 37 PHE HZ 1 68 TYR HA . . 5.800 5.833 5.793 5.881 0.081 13 0 "[ . 1 . 2]" 1
1116 1 37 PHE HZ 1 68 TYR HB2 . . 5.330 3.900 3.784 4.009 . 0 0 "[ . 1 . 2]" 1
1117 1 37 PHE HZ 1 68 TYR HB3 . . 5.580 3.080 2.984 3.187 . 0 0 "[ . 1 . 2]" 1
1118 1 37 PHE HZ 1 68 TYR QD . . 5.250 3.229 2.908 3.457 . 0 0 "[ . 1 . 2]" 1
1119 1 37 PHE HZ 1 68 TYR QE . . 5.280 4.331 4.093 4.510 . 0 0 "[ . 1 . 2]" 1
1120 1 37 PHE HZ 1 74 ILE HB . . 5.420 4.700 4.518 5.038 . 0 0 "[ . 1 . 2]" 1
1121 1 37 PHE HZ 1 74 ILE HG12 . . 5.460 2.846 2.669 3.067 . 0 0 "[ . 1 . 2]" 1
1122 1 37 PHE HZ 1 74 ILE HG13 . . 5.260 2.828 2.681 3.129 . 0 0 "[ . 1 . 2]" 1
1123 1 37 PHE HZ 1 74 ILE MG . . 5.400 4.761 4.642 5.043 . 0 0 "[ . 1 . 2]" 1
1124 1 37 PHE QD 1 56 PHE QE . . 5.020 4.055 3.953 4.149 . 0 0 "[ . 1 . 2]" 1
1125 1 37 PHE QD 1 62 ALA HA . . 5.800 5.841 5.812 5.876 0.076 12 0 "[ . 1 . 2]" 1
1126 1 37 PHE QD 1 65 ALA MB . . 4.820 2.512 2.359 2.600 . 0 0 "[ . 1 . 2]" 1
1127 1 37 PHE QE 1 65 ALA HA . . 5.000 3.467 3.338 3.589 . 0 0 "[ . 1 . 2]" 1
1128 1 37 PHE QE 1 68 TYR H . . 5.430 4.866 4.652 5.273 . 0 0 "[ . 1 . 2]" 1
1129 1 37 PHE QE 1 68 TYR HA . . 5.650 5.223 5.057 5.591 . 0 0 "[ . 1 . 2]" 1
1130 1 37 PHE QE 1 74 ILE HG13 . . 5.530 2.597 2.444 2.785 . 0 0 "[ . 1 . 2]" 1
1131 1 38 GLY H 1 39 PRO QD . . 5.470 4.301 4.292 4.310 . 0 0 "[ . 1 . 2]" 1
1132 1 38 GLY H 1 40 ILE MD . . 5.470 4.778 4.725 4.836 . 0 0 "[ . 1 . 2]" 1
1133 1 38 GLY H 1 56 PHE QE . . 4.360 3.042 2.919 3.145 . 0 0 "[ . 1 . 2]" 1
1134 1 38 GLY H 1 64 ASN QB . . 5.740 5.078 4.851 5.382 . 0 0 "[ . 1 . 2]" 1
1135 1 38 GLY H 1 65 ALA MB . . 5.800 5.246 5.067 5.342 . 0 0 "[ . 1 . 2]" 1
1136 1 38 GLY HA2 1 39 PRO HA . . 5.430 4.396 4.386 4.413 . 0 0 "[ . 1 . 2]" 1
1137 1 38 GLY HA2 1 39 PRO HB3 . . 5.720 4.843 4.811 4.871 . 0 0 "[ . 1 . 2]" 1
1138 1 38 GLY HA2 1 39 PRO HD2 . . 4.590 2.744 2.717 2.774 . 0 0 "[ . 1 . 2]" 1
1139 1 38 GLY HA2 1 39 PRO HD3 . . 4.590 2.520 2.493 2.543 . 0 0 "[ . 1 . 2]" 1
1140 1 38 GLY HA2 1 39 PRO HG3 . . 5.580 4.790 4.771 4.811 . 0 0 "[ . 1 . 2]" 1
1141 1 38 GLY HA3 1 39 PRO HD2 . . 4.640 2.286 2.262 2.317 . 0 0 "[ . 1 . 2]" 1
1142 1 38 GLY HA3 1 39 PRO HD3 . . 4.640 3.203 3.173 3.233 . 0 0 "[ . 1 . 2]" 1
1143 1 38 GLY HA3 1 39 PRO HG3 . . 5.580 4.921 4.897 4.951 . 0 0 "[ . 1 . 2]" 1
1144 1 38 GLY HA3 1 61 GLY H . . 5.240 4.256 4.133 4.343 . 0 0 "[ . 1 . 2]" 1
1145 1 38 GLY HA3 1 61 GLY HA2 . . 5.710 2.334 2.239 2.450 . 0 0 "[ . 1 . 2]" 1
1146 1 38 GLY HA3 1 61 GLY HA3 . . 5.650 2.430 2.320 2.524 . 0 0 "[ . 1 . 2]" 1
1147 1 39 PRO HA 1 40 ILE H . . 3.760 2.231 2.218 2.242 . 0 0 "[ . 1 . 2]" 1
1148 1 39 PRO HA 1 40 ILE HB . . 5.620 4.480 4.450 4.504 . 0 0 "[ . 1 . 2]" 1
1149 1 39 PRO HA 1 57 GLU HB2 . . 5.800 4.940 4.888 4.982 . 0 0 "[ . 1 . 2]" 1
1150 1 39 PRO HA 1 57 GLU HB3 . . 5.800 4.735 4.674 4.910 . 0 0 "[ . 1 . 2]" 1
1151 1 39 PRO HB2 1 40 ILE H . . 4.890 3.301 3.276 3.323 . 0 0 "[ . 1 . 2]" 1
1152 1 39 PRO HB2 1 56 PHE QD . . 5.800 5.303 5.243 5.335 . 0 0 "[ . 1 . 2]" 1
1153 1 39 PRO HB3 1 40 ILE H . . 5.150 3.953 3.926 3.970 . 0 0 "[ . 1 . 2]" 1
1154 1 39 PRO HD2 1 40 ILE H . . 5.800 5.637 5.623 5.653 . 0 0 "[ . 1 . 2]" 1
1155 1 39 PRO HD3 1 40 ILE H . . 5.800 5.567 5.552 5.580 . 0 0 "[ . 1 . 2]" 1
1156 1 39 PRO HG3 1 61 GLY H . . 5.800 5.858 5.840 5.883 0.083 11 0 "[ . 1 . 2]" 1
1157 1 39 PRO QD 1 60 LEU HB3 . . 5.710 4.857 4.296 5.047 . 0 0 "[ . 1 . 2]" 1
1158 1 39 PRO QD 1 60 LEU QD . . 5.110 4.920 3.252 5.114 0.004 14 0 "[ . 1 . 2]" 1
1159 1 40 ILE H 1 40 ILE HB . . 3.970 2.505 2.488 2.517 . 0 0 "[ . 1 . 2]" 1
1160 1 40 ILE H 1 40 ILE MD . . 5.040 3.971 3.924 3.996 . 0 0 "[ . 1 . 2]" 1
1161 1 40 ILE H 1 41 SER H . . 5.410 4.539 4.522 4.553 . 0 0 "[ . 1 . 2]" 1
1162 1 40 ILE H 1 56 PHE QD . . 5.340 4.794 4.737 4.824 . 0 0 "[ . 1 . 2]" 1
1163 1 40 ILE H 1 56 PHE QE . . 5.500 5.527 5.510 5.560 0.060 17 0 "[ . 1 . 2]" 1
1164 1 40 ILE H 1 57 GLU HB2 . . 5.510 4.158 4.111 4.235 . 0 0 "[ . 1 . 2]" 1
1165 1 40 ILE HA 1 41 SER H . . 4.050 2.242 2.221 2.262 . 0 0 "[ . 1 . 2]" 1
1166 1 40 ILE HA 1 42 TYR H . . 5.470 4.182 4.126 4.248 . 0 0 "[ . 1 . 2]" 1
1167 1 40 ILE HA 1 54 VAL QG . . 5.000 4.119 4.006 4.194 . 0 0 "[ . 1 . 2]" 1
1168 1 40 ILE HA 1 56 PHE HA . . 4.560 1.927 1.906 1.941 . 0 0 "[ . 1 . 2]" 1
1169 1 40 ILE HA 1 56 PHE HB3 . . 5.460 3.876 3.814 3.955 . 0 0 "[ . 1 . 2]" 1
1170 1 40 ILE HA 1 56 PHE QD . . 5.180 3.505 3.410 3.567 . 0 0 "[ . 1 . 2]" 1
1171 1 40 ILE HA 1 57 GLU H . . 4.170 2.611 2.559 2.654 . 0 0 "[ . 1 . 2]" 1
1172 1 40 ILE HA 1 57 GLU QG . . 5.550 5.609 5.586 5.639 0.089 5 0 "[ . 1 . 2]" 1
1173 1 40 ILE HB 1 41 SER H . . 5.100 4.016 3.974 4.054 . 0 0 "[ . 1 . 2]" 1
1174 1 40 ILE HB 1 42 TYR H . . 5.800 5.039 4.955 5.102 . 0 0 "[ . 1 . 2]" 1
1175 1 40 ILE HB 1 43 VAL QG . . 5.380 4.102 3.980 4.229 . 0 0 "[ . 1 . 2]" 1
1176 1 40 ILE HB 1 56 PHE HA . . 5.760 4.840 4.812 4.866 . 0 0 "[ . 1 . 2]" 1
1177 1 40 ILE HB 1 56 PHE QE . . 5.720 5.532 5.466 5.691 . 0 0 "[ . 1 . 2]" 1
1178 1 40 ILE MD 1 54 VAL QG . . 4.010 2.398 2.225 2.539 . 0 0 "[ . 1 . 2]" 1
1179 1 40 ILE MD 1 56 PHE HZ . . 4.620 3.405 3.293 3.711 . 0 0 "[ . 1 . 2]" 1
1180 1 40 ILE MD 1 56 PHE QE . . 4.640 3.230 3.125 3.458 . 0 0 "[ . 1 . 2]" 1
1181 1 40 ILE MG 1 41 SER H . . 4.270 2.240 2.182 2.291 . 0 0 "[ . 1 . 2]" 1
1182 1 40 ILE MG 1 41 SER HA . . 4.890 3.798 3.749 3.823 . 0 0 "[ . 1 . 2]" 1
1183 1 40 ILE MG 1 41 SER HB2 . . 5.160 4.546 4.511 4.564 . 0 0 "[ . 1 . 2]" 1
1184 1 40 ILE MG 1 41 SER HB3 . . 5.320 4.117 4.081 4.175 . 0 0 "[ . 1 . 2]" 1
1185 1 40 ILE MG 1 42 TYR H . . 4.330 2.478 2.409 2.533 . 0 0 "[ . 1 . 2]" 1
1186 1 40 ILE MG 1 42 TYR HA . . 4.910 3.574 3.469 3.715 . 0 0 "[ . 1 . 2]" 1
1187 1 40 ILE MG 1 42 TYR HB2 . . 5.780 4.991 4.938 5.045 . 0 0 "[ . 1 . 2]" 1
1188 1 40 ILE MG 1 42 TYR HB3 . . 5.630 4.784 4.727 4.851 . 0 0 "[ . 1 . 2]" 1
1189 1 40 ILE MG 1 42 TYR QD . . 5.780 5.231 5.146 5.294 . 0 0 "[ . 1 . 2]" 1
1190 1 40 ILE MG 1 43 VAL H . . 5.470 4.476 4.379 4.557 . 0 0 "[ . 1 . 2]" 1
1191 1 40 ILE MG 1 43 VAL HB . . 5.590 4.366 4.257 4.462 . 0 0 "[ . 1 . 2]" 1
1192 1 40 ILE MG 1 43 VAL MG2 . . 5.110 2.146 2.046 2.241 . 0 0 "[ . 1 . 2]" 1
1193 1 40 ILE MG 1 43 VAL QG . . 4.040 2.140 2.041 2.234 . 0 0 "[ . 1 . 2]" 1
1194 1 40 ILE MG 1 54 VAL HA . . 5.110 4.084 3.960 4.299 . 0 0 "[ . 1 . 2]" 1
1195 1 40 ILE MG 1 54 VAL QG . . 3.780 2.300 2.202 2.385 . 0 0 "[ . 1 . 2]" 1
1196 1 40 ILE MG 1 55 GLU H . . 5.190 3.265 3.180 3.317 . 0 0 "[ . 1 . 2]" 1
1197 1 40 ILE MG 1 55 GLU HA . . 5.750 4.818 4.762 4.890 . 0 0 "[ . 1 . 2]" 1
1198 1 40 ILE MG 1 56 PHE H . . 5.600 4.690 4.610 4.761 . 0 0 "[ . 1 . 2]" 1
1199 1 40 ILE MG 1 56 PHE HA . . 4.680 3.127 3.082 3.159 . 0 0 "[ . 1 . 2]" 1
1200 1 40 ILE MG 1 56 PHE HB2 . . 5.580 5.488 5.440 5.541 . 0 0 "[ . 1 . 2]" 1
1201 1 40 ILE MG 1 56 PHE QD . . 5.030 4.308 4.266 4.390 . 0 0 "[ . 1 . 2]" 1
1202 1 40 ILE MG 1 56 PHE QE . . 5.310 4.566 4.511 4.691 . 0 0 "[ . 1 . 2]" 1
1203 1 40 ILE MG 1 57 GLU H . . 4.950 4.506 4.469 4.540 . 0 0 "[ . 1 . 2]" 1
1204 1 40 ILE MG 1 57 GLU HA . . 5.760 5.794 5.775 5.811 0.051 11 0 "[ . 1 . 2]" 1
1205 1 41 SER H 1 41 SER HB2 . . 4.310 2.810 2.768 2.856 . 0 0 "[ . 1 . 2]" 1
1206 1 41 SER H 1 42 TYR H . . 3.980 2.147 2.058 2.219 . 0 0 "[ . 1 . 2]" 1
1207 1 41 SER H 1 42 TYR HB2 . . 5.800 5.167 5.087 5.249 . 0 0 "[ . 1 . 2]" 1
1208 1 41 SER H 1 42 TYR HB3 . . 5.770 5.003 4.813 5.141 . 0 0 "[ . 1 . 2]" 1
1209 1 41 SER H 1 43 VAL QG . . 5.770 4.559 4.486 4.666 . 0 0 "[ . 1 . 2]" 1
1210 1 41 SER H 1 54 VAL QG . . 5.270 4.212 4.113 4.327 . 0 0 "[ . 1 . 2]" 1
1211 1 41 SER H 1 55 GLU QB . . 5.270 3.969 3.903 4.057 . 0 0 "[ . 1 . 2]" 1
1212 1 41 SER H 1 56 PHE H . . 5.640 4.537 4.510 4.584 . 0 0 "[ . 1 . 2]" 1
1213 1 41 SER H 1 56 PHE HA . . 4.280 2.624 2.566 2.704 . 0 0 "[ . 1 . 2]" 1
1214 1 41 SER H 1 56 PHE HB3 . . 5.510 5.070 5.015 5.142 . 0 0 "[ . 1 . 2]" 1
1215 1 41 SER H 1 56 PHE QD . . 5.440 5.006 4.958 5.073 . 0 0 "[ . 1 . 2]" 1
1216 1 41 SER H 1 57 GLU H . . 4.650 3.511 3.465 3.606 . 0 0 "[ . 1 . 2]" 1
1217 1 41 SER H 1 57 GLU HA . . 5.340 4.314 4.244 4.394 . 0 0 "[ . 1 . 2]" 1
1218 1 41 SER H 1 57 GLU HB3 . . 5.710 5.345 5.291 5.439 . 0 0 "[ . 1 . 2]" 1
1219 1 41 SER H 1 57 GLU QG . . 5.390 5.304 5.230 5.377 . 0 0 "[ . 1 . 2]" 1
1220 1 41 SER H 1 58 ASP H . . 5.660 5.686 5.671 5.734 0.074 17 0 "[ . 1 . 2]" 1
1221 1 41 SER HA 1 57 GLU HA . . 5.550 4.365 4.305 4.433 . 0 0 "[ . 1 . 2]" 1
1222 1 41 SER HA 1 57 GLU HB2 . . 5.800 3.506 3.415 3.743 . 0 0 "[ . 1 . 2]" 1
1223 1 41 SER HA 1 57 GLU QG . . 5.100 4.135 4.075 4.282 . 0 0 "[ . 1 . 2]" 1
1224 1 41 SER HB2 1 42 TYR H . . 4.470 3.884 3.846 3.921 . 0 0 "[ . 1 . 2]" 1
1225 1 41 SER HB2 1 42 TYR HB2 . . 5.550 5.376 5.280 5.441 . 0 0 "[ . 1 . 2]" 1
1226 1 41 SER HB2 1 42 TYR HB3 . . 5.750 5.656 5.577 5.719 . 0 0 "[ . 1 . 2]" 1
1227 1 41 SER HB2 1 55 GLU HA . . 6.000 6.093 6.065 6.120 0.120 17 0 "[ . 1 . 2]" 1
1228 1 41 SER HB2 1 56 PHE HA . . 5.310 4.089 4.017 4.222 . 0 0 "[ . 1 . 2]" 1
1229 1 41 SER HB2 1 57 GLU H . . 4.970 3.560 3.493 3.679 . 0 0 "[ . 1 . 2]" 1
1230 1 41 SER HB2 1 57 GLU HA . . 4.410 2.199 2.152 2.300 . 0 0 "[ . 1 . 2]" 1
1231 1 41 SER HB2 1 57 GLU HB3 . . 5.560 4.328 4.244 4.489 . 0 0 "[ . 1 . 2]" 1
1232 1 41 SER HB3 1 42 TYR H . . 4.360 2.615 2.522 2.719 . 0 0 "[ . 1 . 2]" 1
1233 1 41 SER HB3 1 42 TYR HB2 . . 5.140 3.993 3.906 4.079 . 0 0 "[ . 1 . 2]" 1
1234 1 41 SER HB3 1 42 TYR HB3 . . 5.450 3.968 3.861 4.043 . 0 0 "[ . 1 . 2]" 1
1235 1 41 SER HB3 1 42 TYR QD . . 5.680 5.615 5.542 5.680 0.000 7 0 "[ . 1 . 2]" 1
1236 1 41 SER HB3 1 55 GLU H . . 5.800 4.786 4.672 4.877 . 0 0 "[ . 1 . 2]" 1
1237 1 41 SER HB3 1 55 GLU HA . . 6.000 4.939 4.881 4.986 . 0 0 "[ . 1 . 2]" 1
1238 1 41 SER HB3 1 55 GLU QB . . 5.630 3.104 2.968 3.199 . 0 0 "[ . 1 . 2]" 1
1239 1 41 SER HB3 1 57 GLU H . . 5.550 4.612 4.546 4.707 . 0 0 "[ . 1 . 2]" 1
1240 1 41 SER HB3 1 57 GLU HA . . 4.780 3.659 3.584 3.774 . 0 0 "[ . 1 . 2]" 1
1241 1 41 SER HB3 1 57 GLU QG . . 5.270 4.781 4.704 4.942 . 0 0 "[ . 1 . 2]" 1
1242 1 42 TYR H 1 42 TYR QD . . 5.300 4.501 4.459 4.523 . 0 0 "[ . 1 . 2]" 1
1243 1 42 TYR H 1 43 VAL H . . 5.360 4.387 4.371 4.404 . 0 0 "[ . 1 . 2]" 1
1244 1 42 TYR H 1 43 VAL QG . . 5.360 3.673 3.624 3.777 . 0 0 "[ . 1 . 2]" 1
1245 1 42 TYR H 1 54 VAL HA . . 5.660 4.910 4.812 4.979 . 0 0 "[ . 1 . 2]" 1
1246 1 42 TYR H 1 54 VAL QG . . 5.300 4.068 3.904 4.219 . 0 0 "[ . 1 . 2]" 1
1247 1 42 TYR H 1 55 GLU H . . 4.910 3.113 3.011 3.173 . 0 0 "[ . 1 . 2]" 1
1248 1 42 TYR H 1 55 GLU HA . . 5.430 4.821 4.772 4.895 . 0 0 "[ . 1 . 2]" 1
1249 1 42 TYR H 1 55 GLU QB . . 4.290 2.763 2.669 2.844 . 0 0 "[ . 1 . 2]" 1
1250 1 42 TYR H 1 55 GLU QG . . 5.740 3.863 3.752 3.998 . 0 0 "[ . 1 . 2]" 1
1251 1 42 TYR H 1 56 PHE H . . 5.490 5.268 5.218 5.396 . 0 0 "[ . 1 . 2]" 1
1252 1 42 TYR H 1 57 GLU H . . 5.570 5.591 5.565 5.622 0.052 7 0 "[ . 1 . 2]" 1
1253 1 42 TYR H 1 57 GLU HA . . 5.800 5.820 5.786 5.851 0.051 7 0 "[ . 1 . 2]" 1
1254 1 42 TYR HA 1 42 TYR QD . . 4.250 2.510 2.413 2.708 . 0 0 "[ . 1 . 2]" 1
1255 1 42 TYR HA 1 43 VAL H . . 3.810 2.352 2.321 2.377 . 0 0 "[ . 1 . 2]" 1
1256 1 42 TYR HA 1 43 VAL HB . . 5.620 4.424 4.369 4.468 . 0 0 "[ . 1 . 2]" 1
1257 1 42 TYR HA 1 43 VAL QG . . 5.030 3.380 3.346 3.439 . 0 0 "[ . 1 . 2]" 1
1258 1 42 TYR HA 1 55 GLU H . . 5.580 4.936 4.789 5.012 . 0 0 "[ . 1 . 2]" 1
1259 1 42 TYR HB2 1 43 VAL H . . 5.110 3.924 3.874 3.980 . 0 0 "[ . 1 . 2]" 1
1260 1 42 TYR HB2 1 55 GLU H . . 5.560 5.343 5.064 5.484 . 0 0 "[ . 1 . 2]" 1
1261 1 42 TYR HB2 1 55 GLU QB . . 5.030 3.836 3.525 4.112 . 0 0 "[ . 1 . 2]" 1
1262 1 42 TYR HB2 1 55 GLU QG . . 5.620 5.074 4.883 5.402 . 0 0 "[ . 1 . 2]" 1
1263 1 42 TYR HB2 1 94 PRO HB2 . . 5.800 3.032 2.473 3.973 . 0 0 "[ . 1 . 2]" 1
1264 1 42 TYR HB3 1 43 VAL H . . 4.790 3.675 3.580 3.793 . 0 0 "[ . 1 . 2]" 1
1265 1 42 TYR HB3 1 55 GLU H . . 5.000 3.929 3.571 4.124 . 0 0 "[ . 1 . 2]" 1
1266 1 42 TYR HB3 1 55 GLU QB . . 5.020 2.512 2.149 2.871 . 0 0 "[ . 1 . 2]" 1
1267 1 42 TYR HB3 1 90 LYS QD . . 5.800 5.589 5.320 5.830 0.030 16 0 "[ . 1 . 2]" 1
1268 1 42 TYR HB3 1 91 ILE H . . 5.800 5.186 4.836 5.438 . 0 0 "[ . 1 . 2]" 1
1269 1 42 TYR HB3 1 94 PRO HB3 . . 5.680 3.482 2.397 4.856 . 0 0 "[ . 1 . 2]" 1
1270 1 42 TYR QD 1 43 VAL H . . 4.690 2.951 2.872 3.047 . 0 0 "[ . 1 . 2]" 1
1271 1 42 TYR QD 1 43 VAL HB . . 5.750 5.152 5.028 5.237 . 0 0 "[ . 1 . 2]" 1
1272 1 42 TYR QD 1 43 VAL QG . . 5.210 4.413 4.371 4.441 . 0 0 "[ . 1 . 2]" 1
1273 1 42 TYR QD 1 44 VAL H . . 5.560 4.815 4.549 4.964 . 0 0 "[ . 1 . 2]" 1
1274 1 42 TYR QD 1 44 VAL HB . . 5.480 3.814 3.552 4.085 . 0 0 "[ . 1 . 2]" 1
1275 1 42 TYR QD 1 44 VAL QG . . 5.270 3.731 3.555 3.862 . 0 0 "[ . 1 . 2]" 1
1276 1 42 TYR QD 1 53 LEU QD . . 5.710 5.539 4.938 5.765 0.055 7 0 "[ . 1 . 2]" 1
1277 1 42 TYR QD 1 54 VAL HA . . 5.660 5.201 4.625 5.420 . 0 0 "[ . 1 . 2]" 1
1278 1 42 TYR QD 1 55 GLU H . . 4.940 4.647 4.123 4.918 . 0 0 "[ . 1 . 2]" 1
1279 1 42 TYR QD 1 55 GLU QB . . 5.640 3.686 3.250 4.089 . 0 0 "[ . 1 . 2]" 1
1280 1 42 TYR QD 1 91 ILE H . . 5.800 4.894 4.535 5.350 . 0 0 "[ . 1 . 2]" 1
1281 1 42 TYR QD 1 94 PRO HB2 . . 5.000 3.403 2.973 4.179 . 0 0 "[ . 1 . 2]" 1
1282 1 42 TYR QD 1 94 PRO QG . . 5.060 4.329 3.339 4.635 . 0 0 "[ . 1 . 2]" 1
1283 1 42 TYR QE 1 43 VAL H . . 5.410 3.751 3.687 3.844 . 0 0 "[ . 1 . 2]" 1
1284 1 42 TYR QE 1 44 VAL H . . 5.790 4.881 4.621 5.004 . 0 0 "[ . 1 . 2]" 1
1285 1 42 TYR QE 1 44 VAL HA . . 5.320 4.399 4.122 4.582 . 0 0 "[ . 1 . 2]" 1
1286 1 42 TYR QE 1 44 VAL HB . . 5.180 2.321 2.206 2.515 . 0 0 "[ . 1 . 2]" 1
1287 1 42 TYR QE 1 44 VAL QG . . 4.290 2.979 2.552 3.251 . 0 0 "[ . 1 . 2]" 1
1288 1 42 TYR QE 1 94 PRO HB3 . . 4.680 3.597 3.303 4.115 . 0 0 "[ . 1 . 2]" 1
1289 1 42 TYR QE 1 94 PRO QD . . 5.800 4.936 4.323 5.400 . 0 0 "[ . 1 . 2]" 1
1290 1 42 TYR QE 1 94 PRO QG . . 5.670 4.992 3.838 5.348 . 0 0 "[ . 1 . 2]" 1
1291 1 43 VAL H 1 43 VAL QG . . 4.110 2.948 2.934 2.968 . 0 0 "[ . 1 . 2]" 1
1292 1 43 VAL H 1 44 VAL H . . 5.320 4.359 4.325 4.371 . 0 0 "[ . 1 . 2]" 1
1293 1 43 VAL H 1 44 VAL HB . . 5.770 4.648 4.531 4.787 . 0 0 "[ . 1 . 2]" 1
1294 1 43 VAL H 1 44 VAL QG . . 5.730 4.753 4.627 4.836 . 0 0 "[ . 1 . 2]" 1
1295 1 43 VAL H 1 54 VAL HA . . 5.530 5.089 4.945 5.161 . 0 0 "[ . 1 . 2]" 1
1296 1 43 VAL H 1 55 GLU H . . 5.450 4.933 4.837 5.042 . 0 0 "[ . 1 . 2]" 1
1297 1 43 VAL HA 1 44 VAL H . . 3.940 2.257 2.243 2.269 . 0 0 "[ . 1 . 2]" 1
1298 1 43 VAL HA 1 44 VAL HB . . 5.760 4.443 4.370 4.507 . 0 0 "[ . 1 . 2]" 1
1299 1 43 VAL HA 1 44 VAL QG . . 5.360 3.671 3.602 3.801 . 0 0 "[ . 1 . 2]" 1
1300 1 43 VAL HA 1 53 LEU H . . 5.650 4.891 4.842 4.937 . 0 0 "[ . 1 . 2]" 1
1301 1 43 VAL HA 1 54 VAL HA . . 4.980 2.452 2.394 2.513 . 0 0 "[ . 1 . 2]" 1
1302 1 43 VAL HA 1 54 VAL MG1 . . 5.300 3.692 3.482 3.815 . 0 0 "[ . 1 . 2]" 1
1303 1 43 VAL HA 1 54 VAL MG2 . . 5.300 3.181 2.921 3.363 . 0 0 "[ . 1 . 2]" 1
1304 1 43 VAL HA 1 54 VAL QG . . 4.650 3.003 2.779 3.147 . 0 0 "[ . 1 . 2]" 1
1305 1 43 VAL HA 1 55 GLU H . . 4.730 3.402 3.317 3.529 . 0 0 "[ . 1 . 2]" 1
1306 1 43 VAL HB 1 44 VAL H . . 5.050 4.009 3.982 4.059 . 0 0 "[ . 1 . 2]" 1
1307 1 43 VAL HB 1 54 VAL QG . . 5.660 4.099 4.043 4.195 . 0 0 "[ . 1 . 2]" 1
1308 1 43 VAL QG 1 44 VAL H . . 4.050 2.309 2.270 2.361 . 0 0 "[ . 1 . 2]" 1
1309 1 43 VAL QG 1 54 VAL HA . . 4.730 2.655 2.475 2.852 . 0 0 "[ . 1 . 2]" 1
1310 1 44 VAL H 1 45 VAL HA . . 5.620 4.650 4.622 4.697 . 0 0 "[ . 1 . 2]" 1
1311 1 44 VAL H 1 52 ALA MB . . 5.240 3.954 3.895 4.007 . 0 0 "[ . 1 . 2]" 1
1312 1 44 VAL H 1 53 LEU H . . 4.600 3.099 3.057 3.153 . 0 0 "[ . 1 . 2]" 1
1313 1 44 VAL H 1 53 LEU HA . . 5.590 5.008 4.966 5.051 . 0 0 "[ . 1 . 2]" 1
1314 1 44 VAL H 1 53 LEU QB . . 4.880 3.588 3.482 3.750 . 0 0 "[ . 1 . 2]" 1
1315 1 44 VAL H 1 54 VAL HA . . 4.690 3.704 3.574 3.754 . 0 0 "[ . 1 . 2]" 1
1316 1 44 VAL H 1 54 VAL QG . . 5.580 3.617 3.395 3.723 . 0 0 "[ . 1 . 2]" 1
1317 1 44 VAL H 1 55 GLU H . . 5.550 5.234 5.163 5.360 . 0 0 "[ . 1 . 2]" 1
1318 1 44 VAL HA 1 45 VAL HA . . 5.370 4.466 4.452 4.497 . 0 0 "[ . 1 . 2]" 1
1319 1 44 VAL HA 1 52 ALA MB . . 5.600 5.057 4.980 5.108 . 0 0 "[ . 1 . 2]" 1
1320 1 44 VAL HA 1 53 LEU QB . . 5.740 5.289 5.228 5.356 . 0 0 "[ . 1 . 2]" 1
1321 1 44 VAL HB 1 45 VAL HA . . 5.800 5.851 5.812 5.880 0.080 5 0 "[ . 1 . 2]" 1
1322 1 44 VAL HB 1 53 LEU H . . 5.260 5.229 5.096 5.276 0.016 15 0 "[ . 1 . 2]" 1
1323 1 44 VAL HB 1 53 LEU HB2 . . 5.570 4.693 4.530 5.800 0.230 12 0 "[ . 1 . 2]" 1
1324 1 44 VAL HB 1 53 LEU HB3 . . 5.570 5.503 4.428 5.651 0.081 2 0 "[ . 1 . 2]" 1
1325 1 44 VAL HB 1 94 PRO HB3 . . 5.760 5.839 5.740 5.924 0.164 8 0 "[ . 1 . 2]" 1
1326 1 44 VAL MG1 1 45 VAL H . . 4.150 3.553 3.455 3.630 . 0 0 "[ . 1 . 2]" 1
1327 1 44 VAL MG1 1 45 VAL HA . . 5.250 3.810 3.664 3.885 . 0 0 "[ . 1 . 2]" 1
1328 1 44 VAL MG1 1 46 MET H . . 5.370 5.137 4.990 5.257 . 0 0 "[ . 1 . 2]" 1
1329 1 44 VAL MG1 1 52 ALA HA . . 5.730 3.878 3.719 3.969 . 0 0 "[ . 1 . 2]" 1
1330 1 44 VAL MG2 1 45 VAL H . . 4.150 2.145 2.093 2.201 . 0 0 "[ . 1 . 2]" 1
1331 1 44 VAL MG2 1 45 VAL HA . . 5.250 3.863 3.781 3.964 . 0 0 "[ . 1 . 2]" 1
1332 1 44 VAL MG2 1 52 ALA HA . . 5.730 4.874 4.611 5.081 . 0 0 "[ . 1 . 2]" 1
1333 1 44 VAL QG 1 46 MET H . . 4.850 4.470 4.415 4.556 . 0 0 "[ . 1 . 2]" 1
1334 1 44 VAL QG 1 46 MET HA . . 5.730 4.622 4.482 4.713 . 0 0 "[ . 1 . 2]" 1
1335 1 44 VAL QG 1 46 MET QB . . 5.070 4.510 3.937 4.791 . 0 0 "[ . 1 . 2]" 1
1336 1 44 VAL QG 1 46 MET ME . . 4.720 3.239 2.827 3.358 . 0 0 "[ . 1 . 2]" 1
1337 1 44 VAL QG 1 52 ALA HA . . 5.100 3.734 3.571 3.821 . 0 0 "[ . 1 . 2]" 1
1338 1 44 VAL QG 1 52 ALA MB . . 4.730 3.907 3.797 3.985 . 0 0 "[ . 1 . 2]" 1
1339 1 44 VAL QG 1 53 LEU H . . 4.610 2.746 2.534 2.834 . 0 0 "[ . 1 . 2]" 1
1340 1 44 VAL QG 1 53 LEU QB . . 3.700 1.939 1.881 1.969 . 0 0 "[ . 1 . 2]" 1
1341 1 44 VAL QG 1 53 LEU QD . . 4.250 2.685 2.614 2.823 . 0 0 "[ . 1 . 2]" 1
1342 1 45 VAL H 1 46 MET H . . 5.120 4.464 4.436 4.492 . 0 0 "[ . 1 . 2]" 1
1343 1 45 VAL H 1 46 MET HA . . 5.670 4.948 4.891 5.013 . 0 0 "[ . 1 . 2]" 1
1344 1 45 VAL H 1 46 MET ME . . 5.400 5.370 5.228 5.458 0.058 12 0 "[ . 1 . 2]" 1
1345 1 45 VAL H 1 52 ALA HA . . 5.800 4.951 4.880 5.027 . 0 0 "[ . 1 . 2]" 1
1346 1 45 VAL H 1 52 ALA MB . . 5.240 4.529 4.436 4.609 . 0 0 "[ . 1 . 2]" 1
1347 1 45 VAL H 1 53 LEU H . . 5.340 4.900 4.822 4.941 . 0 0 "[ . 1 . 2]" 1
1348 1 45 VAL HA 1 46 MET H . . 3.950 2.272 2.245 2.320 . 0 0 "[ . 1 . 2]" 1
1349 1 45 VAL HA 1 46 MET HA . . 5.540 4.484 4.463 4.502 . 0 0 "[ . 1 . 2]" 1
1350 1 45 VAL HA 1 46 MET QB . . 5.300 4.287 4.197 4.377 . 0 0 "[ . 1 . 2]" 1
1351 1 45 VAL HA 1 52 ALA H . . 5.650 4.968 4.879 5.036 . 0 0 "[ . 1 . 2]" 1
1352 1 45 VAL HA 1 52 ALA HA . . 4.570 2.311 2.168 2.410 . 0 0 "[ . 1 . 2]" 1
1353 1 45 VAL HA 1 52 ALA MB . . 4.190 2.330 2.228 2.442 . 0 0 "[ . 1 . 2]" 1
1354 1 45 VAL HA 1 53 LEU H . . 4.780 3.309 3.264 3.383 . 0 0 "[ . 1 . 2]" 1
1355 1 45 VAL HB 1 52 ALA MB . . 5.200 3.897 2.751 4.328 . 0 0 "[ . 1 . 2]" 1
1356 1 45 VAL HB 1 53 LEU H . . 6.000 5.706 4.611 6.084 0.084 4 0 "[ . 1 . 2]" 1
1357 1 45 VAL MG1 1 52 ALA MB . . 4.490 2.642 2.130 4.113 . 0 0 "[ . 1 . 2]" 1
1358 1 45 VAL QG 1 46 MET H . . 4.340 2.161 2.032 2.236 . 0 0 "[ . 1 . 2]" 1
1359 1 45 VAL QG 1 46 MET HA . . 4.990 3.528 3.322 3.652 . 0 0 "[ . 1 . 2]" 1
1360 1 45 VAL QG 1 51 GLN H . . 5.410 4.279 4.072 4.385 . 0 0 "[ . 1 . 2]" 1
1361 1 45 VAL QG 1 52 ALA HA . . 5.390 3.311 3.219 3.389 . 0 0 "[ . 1 . 2]" 1
1362 1 45 VAL QG 1 52 ALA MB . . 3.620 1.998 1.891 2.126 . 0 0 "[ . 1 . 2]" 1
1363 1 45 VAL QG 1 53 LEU H . . 5.370 3.959 3.721 4.528 . 0 0 "[ . 1 . 2]" 1
1364 1 46 MET H 1 46 MET ME . . 5.030 3.624 3.087 4.673 . 0 0 "[ . 1 . 2]" 1
1365 1 46 MET H 1 51 GLN H . . 5.330 3.750 3.631 3.855 . 0 0 "[ . 1 . 2]" 1
1366 1 46 MET H 1 52 ALA H . . 5.540 4.780 4.672 4.858 . 0 0 "[ . 1 . 2]" 1
1367 1 46 MET H 1 52 ALA HA . . 4.210 2.857 2.730 2.966 . 0 0 "[ . 1 . 2]" 1
1368 1 46 MET H 1 52 ALA MB . . 4.550 3.137 2.988 3.317 . 0 0 "[ . 1 . 2]" 1
1369 1 46 MET H 1 53 LEU H . . 5.720 4.972 4.860 5.084 . 0 0 "[ . 1 . 2]" 1
1370 1 46 MET HA 1 46 MET ME . . 5.110 4.386 4.209 4.726 . 0 0 "[ . 1 . 2]" 1
1371 1 46 MET HA 1 51 GLN H . . 5.800 5.179 4.981 5.258 . 0 0 "[ . 1 . 2]" 1
1372 1 46 MET QB 1 51 GLN H . . 5.550 3.335 2.698 4.348 . 0 0 "[ . 1 . 2]" 1
1373 1 46 MET QB 1 52 ALA HA . . 5.430 3.841 3.419 4.589 . 0 0 "[ . 1 . 2]" 1
1374 1 46 MET ME 1 51 GLN QG . . 5.740 4.737 4.244 5.808 0.068 9 0 "[ . 1 . 2]" 1
1375 1 46 MET ME 1 52 ALA HA . . 4.720 2.744 2.269 3.766 . 0 0 "[ . 1 . 2]" 1
1376 1 46 MET ME 1 53 LEU QD . . 4.790 2.758 2.180 3.471 . 0 0 "[ . 1 . 2]" 1
1377 1 49 LYS H 1 50 ARG H . . 4.610 1.960 1.830 2.064 . 0 0 "[ . 1 . 2]" 1
1378 1 49 LYS H 1 50 ARG HA . . 5.450 4.020 3.946 4.119 . 0 0 "[ . 1 . 2]" 1
1379 1 49 LYS H 1 50 ARG HB2 . . 5.800 4.807 4.664 4.894 . 0 0 "[ . 1 . 2]" 1
1380 1 50 ARG H 1 50 ARG HG2 . . 5.740 5.145 5.126 5.165 . 0 0 "[ . 1 . 2]" 1
1381 1 50 ARG H 1 50 ARG HG3 . . 5.740 4.678 4.584 4.734 . 0 0 "[ . 1 . 2]" 1
1382 1 50 ARG H 1 50 ARG QD . . 5.140 3.642 3.552 3.729 . 0 0 "[ . 1 . 2]" 1
1383 1 50 ARG H 1 51 GLN H . . 4.430 2.806 2.775 2.844 . 0 0 "[ . 1 . 2]" 1
1384 1 50 ARG HA 1 50 ARG HD2 . . 4.850 3.435 2.240 3.548 . 0 0 "[ . 1 . 2]" 1
1385 1 50 ARG HA 1 50 ARG HD3 . . 4.850 2.049 1.978 2.905 . 0 0 "[ . 1 . 2]" 1
1386 1 50 ARG HA 1 51 GLN H . . 4.150 2.846 2.770 2.933 . 0 0 "[ . 1 . 2]" 1
1387 1 50 ARG HA 1 51 GLN HA . . 5.580 4.476 4.442 4.505 . 0 0 "[ . 1 . 2]" 1
1388 1 50 ARG HA 1 51 GLN HB2 . . 5.800 5.250 5.180 5.305 . 0 0 "[ . 1 . 2]" 1
1389 1 50 ARG HB2 1 51 GLN H . . 5.410 4.600 4.568 4.637 . 0 0 "[ . 1 . 2]" 1
1390 1 50 ARG QD 1 51 GLN H . . 5.560 4.671 4.549 4.882 . 0 0 "[ . 1 . 2]" 1
1391 1 50 ARG QG 1 81 ALA MB . . 5.740 5.782 5.758 5.815 0.075 6 0 "[ . 1 . 2]" 1
1392 1 51 GLN H 1 51 GLN QG . . 4.860 3.187 3.072 3.229 . 0 0 "[ . 1 . 2]" 1
1393 1 51 GLN H 1 52 ALA H . . 5.310 4.459 4.441 4.475 . 0 0 "[ . 1 . 2]" 1
1394 1 51 GLN H 1 52 ALA HA . . 5.620 4.901 4.870 4.924 . 0 0 "[ . 1 . 2]" 1
1395 1 51 GLN H 1 52 ALA MB . . 5.470 4.676 4.585 4.751 . 0 0 "[ . 1 . 2]" 1
1396 1 51 GLN HA 1 52 ALA H . . 4.050 2.431 2.404 2.460 . 0 0 "[ . 1 . 2]" 1
1397 1 51 GLN HA 1 52 ALA MB . . 5.290 3.834 3.774 3.880 . 0 0 "[ . 1 . 2]" 1
1398 1 51 GLN HB2 1 52 ALA H . . 5.180 3.692 3.600 3.739 . 0 0 "[ . 1 . 2]" 1
1399 1 51 GLN HB2 1 52 ALA HA . . 5.800 4.678 4.556 4.745 . 0 0 "[ . 1 . 2]" 1
1400 1 51 GLN HB3 1 52 ALA H . . 4.390 2.388 2.329 2.448 . 0 0 "[ . 1 . 2]" 1
1401 1 51 GLN HB3 1 52 ALA HA . . 5.800 4.216 4.144 4.268 . 0 0 "[ . 1 . 2]" 1
1402 1 51 GLN HB3 1 52 ALA MB . . 5.700 4.544 4.509 4.575 . 0 0 "[ . 1 . 2]" 1
1403 1 51 GLN HG2 1 52 ALA H . . 5.320 3.824 3.795 3.922 . 0 0 "[ . 1 . 2]" 1
1404 1 51 GLN HG3 1 52 ALA H . . 5.320 4.706 4.677 4.768 . 0 0 "[ . 1 . 2]" 1
1405 1 51 GLN QG 1 52 ALA H . . 4.760 3.666 3.640 3.749 . 0 0 "[ . 1 . 2]" 1
1406 1 52 ALA HA 1 53 LEU H . . 4.090 2.487 2.461 2.515 . 0 0 "[ . 1 . 2]" 1
1407 1 52 ALA HA 1 53 LEU HA . . 5.800 4.534 4.507 4.546 . 0 0 "[ . 1 . 2]" 1
1408 1 52 ALA HA 1 53 LEU HB2 . . 5.800 4.262 3.979 4.332 . 0 0 "[ . 1 . 2]" 1
1409 1 52 ALA HA 1 53 LEU HB3 . . 5.800 5.563 4.749 5.675 . 0 0 "[ . 1 . 2]" 1
1410 1 52 ALA HA 1 53 LEU QB . . 5.470 4.132 3.796 4.204 . 0 0 "[ . 1 . 2]" 1
1411 1 52 ALA HA 1 53 LEU QD . . 5.770 4.444 4.371 4.805 . 0 0 "[ . 1 . 2]" 1
1412 1 52 ALA MB 1 53 LEU H . . 4.090 2.268 2.229 2.303 . 0 0 "[ . 1 . 2]" 1
1413 1 53 LEU H 1 54 VAL H . . 5.490 4.409 4.385 4.432 . 0 0 "[ . 1 . 2]" 1
1414 1 53 LEU H 1 54 VAL HA . . 5.620 4.887 4.798 4.928 . 0 0 "[ . 1 . 2]" 1
1415 1 53 LEU H 1 54 VAL QG . . 5.490 3.775 3.610 3.821 . 0 0 "[ . 1 . 2]" 1
1416 1 53 LEU HA 1 54 VAL H . . 4.060 2.224 2.204 2.278 . 0 0 "[ . 1 . 2]" 1
1417 1 53 LEU HA 1 54 VAL HA . . 5.700 4.470 4.457 4.492 . 0 0 "[ . 1 . 2]" 1
1418 1 53 LEU HA 1 54 VAL HB . . 5.360 4.417 4.379 4.440 . 0 0 "[ . 1 . 2]" 1
1419 1 53 LEU HA 1 54 VAL MG1 . . 5.800 5.417 5.390 5.443 . 0 0 "[ . 1 . 2]" 1
1420 1 53 LEU HA 1 54 VAL MG2 . . 5.800 3.528 3.450 3.633 . 0 0 "[ . 1 . 2]" 1
1421 1 53 LEU HA 1 54 VAL QG . . 5.140 3.484 3.413 3.582 . 0 0 "[ . 1 . 2]" 1
1422 1 53 LEU QB 1 54 VAL H . . 4.820 2.938 2.786 3.586 . 0 0 "[ . 1 . 2]" 1
1423 1 53 LEU QB 1 54 VAL HA . . 5.740 4.066 3.981 4.411 . 0 0 "[ . 1 . 2]" 1
1424 1 53 LEU QB 1 91 ILE MD . . 5.030 2.375 2.101 2.904 . 0 0 "[ . 1 . 2]" 1
1425 1 53 LEU MD1 1 54 VAL H . . 5.290 4.509 2.742 4.768 . 0 0 "[ . 1 . 2]" 1
1426 1 53 LEU MD2 1 54 VAL H . . 5.290 3.165 2.990 4.254 . 0 0 "[ . 1 . 2]" 1
1427 1 53 LEU QD 1 54 VAL H . . 4.680 2.984 2.711 3.091 . 0 0 "[ . 1 . 2]" 1
1428 1 53 LEU QD 1 54 VAL QG . . 5.750 4.348 4.205 4.435 . 0 0 "[ . 1 . 2]" 1
1429 1 53 LEU QD 1 55 GLU H . . 5.580 5.638 5.489 5.682 0.102 17 0 "[ . 1 . 2]" 1
1430 1 53 LEU QD 1 55 GLU QG . . 6.000 5.989 5.700 6.037 0.037 4 0 "[ . 1 . 2]" 1
1431 1 53 LEU QD 1 91 ILE H . . 5.390 5.125 4.661 5.446 0.056 2 0 "[ . 1 . 2]" 1
1432 1 53 LEU QD 1 91 ILE MD . . 3.690 3.061 1.950 3.551 . 0 0 "[ . 1 . 2]" 1
1433 1 54 VAL H 1 55 GLU H . . 5.430 4.285 4.251 4.380 . 0 0 "[ . 1 . 2]" 1
1434 1 54 VAL HA 1 55 GLU H . . 4.030 2.160 2.141 2.214 . 0 0 "[ . 1 . 2]" 1
1435 1 54 VAL HB 1 55 GLU H . . 5.350 4.201 4.098 4.260 . 0 0 "[ . 1 . 2]" 1
1436 1 54 VAL HB 1 56 PHE QD . . 4.990 4.328 4.206 4.545 . 0 0 "[ . 1 . 2]" 1
1437 1 54 VAL HB 1 56 PHE QE . . 4.890 3.247 3.041 3.581 . 0 0 "[ . 1 . 2]" 1
1438 1 54 VAL QG 1 55 GLU H . . 4.750 2.578 2.381 2.690 . 0 0 "[ . 1 . 2]" 1
1439 1 54 VAL QG 1 55 GLU HA . . 5.620 3.645 3.531 3.715 . 0 0 "[ . 1 . 2]" 1
1440 1 54 VAL QG 1 56 PHE H . . 5.320 3.872 3.777 3.941 . 0 0 "[ . 1 . 2]" 1
1441 1 54 VAL QG 1 56 PHE QD . . 5.660 2.975 2.878 3.160 . 0 0 "[ . 1 . 2]" 1
1442 1 54 VAL QG 1 56 PHE QE . . 4.510 2.629 2.459 2.923 . 0 0 "[ . 1 . 2]" 1
1443 1 54 VAL QG 1 57 GLU H . . 5.750 5.669 5.548 5.739 . 0 0 "[ . 1 . 2]" 1
1444 1 54 VAL QG 1 83 VAL QG . . 5.510 3.869 3.785 3.992 . 0 0 "[ . 1 . 2]" 1
1445 1 55 GLU H 1 56 PHE H . . 5.790 4.327 4.296 4.349 . 0 0 "[ . 1 . 2]" 1
1446 1 55 GLU HA 1 56 PHE H . . 4.160 2.149 2.130 2.174 . 0 0 "[ . 1 . 2]" 1
1447 1 55 GLU HA 1 56 PHE HB2 . . 5.600 4.400 4.370 4.442 . 0 0 "[ . 1 . 2]" 1
1448 1 55 GLU HA 1 56 PHE QD . . 5.430 3.518 3.416 3.590 . 0 0 "[ . 1 . 2]" 1
1449 1 55 GLU HA 1 90 LYS HA . . 5.760 5.799 5.726 5.888 0.128 7 0 "[ . 1 . 2]" 1
1450 1 55 GLU HA 1 91 ILE H . . 5.800 5.683 5.319 5.860 0.060 17 0 "[ . 1 . 2]" 1
1451 1 55 GLU HG2 1 56 PHE H . . 5.500 3.416 3.242 3.580 . 0 0 "[ . 1 . 2]" 1
1452 1 55 GLU HG3 1 56 PHE H . . 5.500 3.221 3.072 3.428 . 0 0 "[ . 1 . 2]" 1
1453 1 55 GLU QB 1 90 LYS QD . . 5.670 4.477 4.351 4.634 . 0 0 "[ . 1 . 2]" 1
1454 1 55 GLU QB 1 91 ILE H . . 4.840 3.443 3.155 3.718 . 0 0 "[ . 1 . 2]" 1
1455 1 55 GLU QG 1 90 LYS HA . . 5.570 3.933 3.787 4.192 . 0 0 "[ . 1 . 2]" 1
1456 1 55 GLU QG 1 90 LYS QD . . 5.710 4.485 4.384 4.659 . 0 0 "[ . 1 . 2]" 1
1457 1 55 GLU QG 1 91 ILE H . . 5.740 4.200 4.073 4.355 . 0 0 "[ . 1 . 2]" 1
1458 1 56 PHE H 1 56 PHE QD . . 4.350 2.434 2.394 2.474 . 0 0 "[ . 1 . 2]" 1
1459 1 56 PHE H 1 56 PHE QE . . 5.540 4.698 4.648 4.754 . 0 0 "[ . 1 . 2]" 1
1460 1 56 PHE H 1 57 GLU H . . 5.410 4.622 4.613 4.631 . 0 0 "[ . 1 . 2]" 1
1461 1 56 PHE H 1 58 ASP H . . 5.580 4.863 4.813 4.904 . 0 0 "[ . 1 . 2]" 1
1462 1 56 PHE H 1 62 ALA H . . 5.800 5.344 5.276 5.431 . 0 0 "[ . 1 . 2]" 1
1463 1 56 PHE H 1 62 ALA HA . . 5.800 5.341 5.188 5.478 . 0 0 "[ . 1 . 2]" 1
1464 1 56 PHE H 1 62 ALA MB . . 4.970 3.401 3.239 3.542 . 0 0 "[ . 1 . 2]" 1
1465 1 56 PHE HA 1 57 GLU H . . 4.070 2.319 2.290 2.347 . 0 0 "[ . 1 . 2]" 1
1466 1 56 PHE HA 1 57 GLU HA . . 5.800 4.301 4.291 4.319 . 0 0 "[ . 1 . 2]" 1
1467 1 56 PHE HA 1 57 GLU HB2 . . 5.300 4.291 4.261 4.343 . 0 0 "[ . 1 . 2]" 1
1468 1 56 PHE HA 1 57 GLU HB3 . . 5.800 4.862 4.837 4.888 . 0 0 "[ . 1 . 2]" 1
1469 1 56 PHE HA 1 58 ASP H . . 5.050 3.892 3.858 3.964 . 0 0 "[ . 1 . 2]" 1
1470 1 56 PHE HB2 1 57 GLU H . . 5.210 3.959 3.928 4.002 . 0 0 "[ . 1 . 2]" 1
1471 1 56 PHE HB2 1 58 ASP H . . 4.820 3.416 3.338 3.474 . 0 0 "[ . 1 . 2]" 1
1472 1 56 PHE HB2 1 58 ASP HA . . 5.800 5.423 5.237 5.520 . 0 0 "[ . 1 . 2]" 1
1473 1 56 PHE HB2 1 61 GLY H . . 5.620 4.369 4.203 4.519 . 0 0 "[ . 1 . 2]" 1
1474 1 56 PHE HB2 1 61 GLY HA3 . . 5.660 3.992 3.859 4.160 . 0 0 "[ . 1 . 2]" 1
1475 1 56 PHE HB2 1 62 ALA H . . 4.980 3.244 3.154 3.332 . 0 0 "[ . 1 . 2]" 1
1476 1 56 PHE HB2 1 62 ALA MB . . 5.220 2.417 2.201 2.599 . 0 0 "[ . 1 . 2]" 1
1477 1 56 PHE HB2 1 63 CYS H . . 5.800 5.476 5.364 5.592 . 0 0 "[ . 1 . 2]" 1
1478 1 56 PHE HB3 1 57 GLU H . . 4.680 2.673 2.632 2.732 . 0 0 "[ . 1 . 2]" 1
1479 1 56 PHE HB3 1 57 GLU HA . . 5.730 4.796 4.753 4.832 . 0 0 "[ . 1 . 2]" 1
1480 1 56 PHE HB3 1 57 GLU HB3 . . 5.750 4.701 4.576 4.738 . 0 0 "[ . 1 . 2]" 1
1481 1 56 PHE HB3 1 58 ASP H . . 4.450 2.356 2.283 2.414 . 0 0 "[ . 1 . 2]" 1
1482 1 56 PHE HB3 1 58 ASP HB2 . . 5.800 5.415 5.301 5.627 . 0 0 "[ . 1 . 2]" 1
1483 1 56 PHE HB3 1 58 ASP HB3 . . 5.530 4.447 4.338 4.714 . 0 0 "[ . 1 . 2]" 1
1484 1 56 PHE HB3 1 61 GLY H . . 5.220 3.720 3.479 3.881 . 0 0 "[ . 1 . 2]" 1
1485 1 56 PHE HB3 1 62 ALA H . . 4.940 3.607 3.479 3.725 . 0 0 "[ . 1 . 2]" 1
1486 1 56 PHE HB3 1 62 ALA HA . . 5.450 4.817 4.592 5.034 . 0 0 "[ . 1 . 2]" 1
1487 1 56 PHE HB3 1 62 ALA MB . . 4.900 3.734 3.549 3.888 . 0 0 "[ . 1 . 2]" 1
1488 1 56 PHE QD 1 57 GLU H . . 4.630 3.558 3.518 3.597 . 0 0 "[ . 1 . 2]" 1
1489 1 56 PHE QD 1 57 GLU HB3 . . 5.800 5.333 5.269 5.376 . 0 0 "[ . 1 . 2]" 1
1490 1 56 PHE QD 1 58 ASP H . . 5.000 4.115 4.060 4.222 . 0 0 "[ . 1 . 2]" 1
1491 1 56 PHE QD 1 61 GLY H . . 5.240 4.378 4.191 4.496 . 0 0 "[ . 1 . 2]" 1
1492 1 56 PHE QD 1 61 GLY HA2 . . 5.370 3.814 3.725 3.929 . 0 0 "[ . 1 . 2]" 1
1493 1 56 PHE QD 1 61 GLY HA3 . . 5.470 2.443 2.298 2.548 . 0 0 "[ . 1 . 2]" 1
1494 1 56 PHE QD 1 62 ALA H . . 5.000 3.969 3.912 4.024 . 0 0 "[ . 1 . 2]" 1
1495 1 56 PHE QD 1 62 ALA HA . . 4.580 3.261 3.141 3.371 . 0 0 "[ . 1 . 2]" 1
1496 1 56 PHE QD 1 62 ALA MB . . 4.490 2.457 2.341 2.518 . 0 0 "[ . 1 . 2]" 1
1497 1 56 PHE QE 1 57 GLU H . . 5.800 5.621 5.602 5.649 . 0 0 "[ . 1 . 2]" 1
1498 1 56 PHE QE 1 61 GLY HA3 . . 5.560 3.871 3.640 3.999 . 0 0 "[ . 1 . 2]" 1
1499 1 56 PHE QE 1 62 ALA H . . 5.690 5.052 4.957 5.112 . 0 0 "[ . 1 . 2]" 1
1500 1 56 PHE QE 1 62 ALA HA . . 4.710 3.272 3.087 3.380 . 0 0 "[ . 1 . 2]" 1
1501 1 56 PHE QE 1 65 ALA MB . . 4.590 3.106 2.890 3.209 . 0 0 "[ . 1 . 2]" 1
1502 1 57 GLU H 1 57 GLU HB2 . . 4.130 2.426 2.392 2.451 . 0 0 "[ . 1 . 2]" 1
1503 1 57 GLU H 1 57 GLU QG . . 4.900 3.952 3.934 3.960 . 0 0 "[ . 1 . 2]" 1
1504 1 57 GLU H 1 58 ASP H . . 4.180 2.492 2.465 2.537 . 0 0 "[ . 1 . 2]" 1
1505 1 57 GLU H 1 58 ASP HA . . 5.750 5.193 5.173 5.226 . 0 0 "[ . 1 . 2]" 1
1506 1 57 GLU H 1 58 ASP HB2 . . 5.800 5.108 5.009 5.275 . 0 0 "[ . 1 . 2]" 1
1507 1 57 GLU H 1 58 ASP HB3 . . 5.720 4.909 4.822 5.039 . 0 0 "[ . 1 . 2]" 1
1508 1 57 GLU H 1 61 GLY HA3 . . 5.800 4.866 4.769 4.983 . 0 0 "[ . 1 . 2]" 1
1509 1 57 GLU HA 1 58 ASP H . . 4.660 3.418 3.394 3.460 . 0 0 "[ . 1 . 2]" 1
1510 1 57 GLU HA 1 58 ASP HA . . 5.390 4.536 4.521 4.558 . 0 0 "[ . 1 . 2]" 1
1511 1 57 GLU HA 1 58 ASP HB3 . . 5.800 5.733 5.669 5.752 . 0 0 "[ . 1 . 2]" 1
1512 1 57 GLU HB2 1 58 ASP H . . 4.960 4.140 4.089 4.167 . 0 0 "[ . 1 . 2]" 1
1513 1 57 GLU HB2 1 58 ASP HB2 . . 6.000 5.531 5.497 5.568 . 0 0 "[ . 1 . 2]" 1
1514 1 57 GLU HB2 1 58 ASP HB3 . . 6.000 6.003 5.881 6.033 0.033 13 0 "[ . 1 . 2]" 1
1515 1 57 GLU HB3 1 58 ASP H . . 4.650 3.280 3.151 3.343 . 0 0 "[ . 1 . 2]" 1
1516 1 57 GLU HB3 1 58 ASP HA . . 5.510 4.969 4.947 5.004 . 0 0 "[ . 1 . 2]" 1
1517 1 57 GLU HB3 1 58 ASP HB2 . . 5.190 3.939 3.897 3.986 . 0 0 "[ . 1 . 2]" 1
1518 1 57 GLU HB3 1 58 ASP HB3 . . 5.160 4.441 4.252 4.485 . 0 0 "[ . 1 . 2]" 1
1519 1 57 GLU QG 1 58 ASP HB2 . . 5.740 3.985 3.748 4.072 . 0 0 "[ . 1 . 2]" 1
1520 1 58 ASP H 1 58 ASP HB3 . . 4.390 2.896 2.872 2.940 . 0 0 "[ . 1 . 2]" 1
1521 1 58 ASP H 1 59 VAL QG . . 5.770 5.316 4.892 5.355 . 0 0 "[ . 1 . 2]" 1
1522 1 58 ASP H 1 61 GLY H . . 4.930 3.863 3.681 3.969 . 0 0 "[ . 1 . 2]" 1
1523 1 58 ASP H 1 61 GLY HA3 . . 5.300 4.111 4.038 4.244 . 0 0 "[ . 1 . 2]" 1
1524 1 58 ASP H 1 62 ALA H . . 5.480 4.830 4.692 4.955 . 0 0 "[ . 1 . 2]" 1
1525 1 58 ASP HA 1 59 VAL H . . 3.930 2.354 2.329 2.414 . 0 0 "[ . 1 . 2]" 1
1526 1 58 ASP HA 1 59 VAL HA . . 5.240 4.297 4.280 4.340 . 0 0 "[ . 1 . 2]" 1
1527 1 58 ASP HA 1 59 VAL QG . . 5.000 3.938 3.413 3.992 . 0 0 "[ . 1 . 2]" 1
1528 1 58 ASP HA 1 60 LEU H . . 5.090 4.107 4.046 4.140 . 0 0 "[ . 1 . 2]" 1
1529 1 58 ASP HA 1 60 LEU HB3 . . 5.800 5.783 5.606 5.841 0.041 10 0 "[ . 1 . 2]" 1
1530 1 58 ASP HA 1 61 GLY H . . 5.710 4.799 4.735 4.951 . 0 0 "[ . 1 . 2]" 1
1531 1 58 ASP HB2 1 59 VAL H . . 5.090 4.058 3.990 4.087 . 0 0 "[ . 1 . 2]" 1
1532 1 58 ASP HB2 1 60 LEU H . . 5.270 4.451 4.212 4.521 . 0 0 "[ . 1 . 2]" 1
1533 1 58 ASP HB2 1 60 LEU HB3 . . 5.490 5.025 4.646 5.164 . 0 0 "[ . 1 . 2]" 1
1534 1 58 ASP HB2 1 61 GLY H . . 5.470 4.728 4.583 4.984 . 0 0 "[ . 1 . 2]" 1
1535 1 58 ASP HB3 1 59 VAL H . . 5.110 3.801 3.720 3.837 . 0 0 "[ . 1 . 2]" 1
1536 1 58 ASP HB3 1 59 VAL HA . . 5.800 5.230 5.205 5.264 . 0 0 "[ . 1 . 2]" 1
1537 1 58 ASP HB3 1 59 VAL QG . . 5.600 4.635 4.330 4.714 . 0 0 "[ . 1 . 2]" 1
1538 1 58 ASP HB3 1 60 LEU H . . 4.670 3.240 2.887 3.355 . 0 0 "[ . 1 . 2]" 1
1539 1 58 ASP HB3 1 60 LEU HA . . 5.800 5.687 5.373 5.810 0.010 10 0 "[ . 1 . 2]" 1
1540 1 58 ASP HB3 1 60 LEU HB2 . . 5.290 4.864 4.153 5.087 . 0 0 "[ . 1 . 2]" 1
1541 1 58 ASP HB3 1 60 LEU HB3 . . 4.930 3.605 3.053 3.796 . 0 0 "[ . 1 . 2]" 1
1542 1 58 ASP HB3 1 60 LEU QD . . 5.770 4.788 4.027 4.950 . 0 0 "[ . 1 . 2]" 1
1543 1 58 ASP HB3 1 61 GLY H . . 4.860 3.030 2.866 3.321 . 0 0 "[ . 1 . 2]" 1
1544 1 58 ASP HB3 1 61 GLY HA2 . . 5.800 5.169 4.939 5.754 . 0 0 "[ . 1 . 2]" 1
1545 1 58 ASP HB3 1 61 GLY HA3 . . 5.800 4.210 3.928 4.896 . 0 0 "[ . 1 . 2]" 1
1546 1 58 ASP HB3 1 62 ALA H . . 5.780 5.268 5.092 5.452 . 0 0 "[ . 1 . 2]" 1
1547 1 59 VAL H 1 59 VAL HB . . 4.110 2.513 2.430 3.600 . 0 0 "[ . 1 . 2]" 1
1548 1 59 VAL H 1 59 VAL QG . . 3.820 2.020 1.812 2.063 . 0 0 "[ . 1 . 2]" 1
1549 1 59 VAL H 1 60 LEU H . . 4.330 2.660 2.633 2.723 . 0 0 "[ . 1 . 2]" 1
1550 1 59 VAL H 1 60 LEU HA . . 5.760 5.222 5.200 5.241 . 0 0 "[ . 1 . 2]" 1
1551 1 59 VAL H 1 60 LEU HB2 . . 5.650 4.868 4.836 4.894 . 0 0 "[ . 1 . 2]" 1
1552 1 59 VAL H 1 60 LEU HB3 . . 5.800 4.901 4.858 4.954 . 0 0 "[ . 1 . 2]" 1
1553 1 59 VAL H 1 61 GLY H . . 5.600 4.307 4.257 4.521 . 0 0 "[ . 1 . 2]" 1
1554 1 59 VAL H 1 62 ALA MB . . 5.800 5.354 5.076 5.499 . 0 0 "[ . 1 . 2]" 1
1555 1 59 VAL HA 1 60 LEU HA . . 5.510 4.751 4.726 4.802 . 0 0 "[ . 1 . 2]" 1
1556 1 59 VAL HA 1 61 GLY H . . 5.620 4.007 3.910 4.116 . 0 0 "[ . 1 . 2]" 1
1557 1 59 VAL HA 1 62 ALA H . . 4.930 3.402 3.105 3.573 . 0 0 "[ . 1 . 2]" 1
1558 1 59 VAL HA 1 62 ALA MB . . 4.430 3.006 2.613 3.187 . 0 0 "[ . 1 . 2]" 1
1559 1 59 VAL HA 1 63 CYS H . . 5.190 4.399 3.891 4.662 . 0 0 "[ . 1 . 2]" 1
1560 1 59 VAL HA 1 63 CYS HB2 . . 5.560 5.171 4.618 5.451 . 0 0 "[ . 1 . 2]" 1
1561 1 59 VAL HB 1 60 LEU H . . 5.230 4.185 4.148 4.211 . 0 0 "[ . 1 . 2]" 1
1562 1 59 VAL HB 1 62 ALA MB . . 5.490 4.940 3.851 5.214 . 0 0 "[ . 1 . 2]" 1
1563 1 59 VAL QG 1 60 LEU H . . 3.920 2.547 2.520 2.654 . 0 0 "[ . 1 . 2]" 1
1564 1 59 VAL QG 1 60 LEU HA . . 4.760 3.188 3.147 3.392 . 0 0 "[ . 1 . 2]" 1
1565 1 59 VAL QG 1 60 LEU HB2 . . 4.780 3.284 3.198 3.500 . 0 0 "[ . 1 . 2]" 1
1566 1 59 VAL QG 1 62 ALA MB . . 4.890 3.316 3.145 3.610 . 0 0 "[ . 1 . 2]" 1
1567 1 59 VAL QG 1 63 CYS H . . 4.700 3.942 3.741 4.428 . 0 0 "[ . 1 . 2]" 1
1568 1 59 VAL QG 1 85 TYR QE . . 5.190 4.558 4.225 5.263 0.073 5 0 "[ . 1 . 2]" 1
1569 1 60 LEU H 1 60 LEU HB2 . . 4.070 2.549 2.486 2.585 . 0 0 "[ . 1 . 2]" 1
1570 1 60 LEU H 1 60 LEU HB3 . . 3.920 2.425 2.405 2.440 . 0 0 "[ . 1 . 2]" 1
1571 1 60 LEU H 1 61 GLY H . . 4.300 2.518 2.456 2.613 . 0 0 "[ . 1 . 2]" 1
1572 1 60 LEU H 1 61 GLY HA3 . . 5.600 4.809 4.744 4.916 . 0 0 "[ . 1 . 2]" 1
1573 1 60 LEU H 1 62 ALA H . . 5.180 4.125 4.065 4.198 . 0 0 "[ . 1 . 2]" 1
1574 1 60 LEU H 1 63 CYS H . . 5.610 4.739 4.646 4.831 . 0 0 "[ . 1 . 2]" 1
1575 1 60 LEU H 1 63 CYS HB3 . . 5.800 5.189 4.997 5.436 . 0 0 "[ . 1 . 2]" 1
1576 1 60 LEU HA 1 61 GLY HA2 . . 5.800 4.806 4.756 4.823 . 0 0 "[ . 1 . 2]" 1
1577 1 60 LEU HA 1 62 ALA H . . 5.260 4.115 4.035 4.334 . 0 0 "[ . 1 . 2]" 1
1578 1 60 LEU HA 1 63 CYS H . . 4.730 3.178 3.126 3.453 . 0 0 "[ . 1 . 2]" 1
1579 1 60 LEU HA 1 63 CYS HA . . 5.800 5.168 5.031 5.445 . 0 0 "[ . 1 . 2]" 1
1580 1 60 LEU HA 1 63 CYS HB2 . . 4.680 3.268 3.042 3.676 . 0 0 "[ . 1 . 2]" 1
1581 1 60 LEU HA 1 63 CYS HB3 . . 4.510 2.471 2.277 2.679 . 0 0 "[ . 1 . 2]" 1
1582 1 60 LEU HA 1 64 ASN H . . 5.240 4.264 4.050 4.635 . 0 0 "[ . 1 . 2]" 1
1583 1 60 LEU HB2 1 61 GLY H . . 4.860 4.108 4.050 4.139 . 0 0 "[ . 1 . 2]" 1
1584 1 60 LEU HB2 1 62 ALA H . . 5.800 5.784 5.720 5.830 0.030 6 0 "[ . 1 . 2]" 1
1585 1 60 LEU HB3 1 61 GLY H . . 4.390 2.970 2.876 3.037 . 0 0 "[ . 1 . 2]" 1
1586 1 60 LEU HB3 1 61 GLY HA2 . . 5.550 4.410 4.369 4.479 . 0 0 "[ . 1 . 2]" 1
1587 1 60 LEU HB3 1 61 GLY HA3 . . 5.390 4.736 4.654 4.779 . 0 0 "[ . 1 . 2]" 1
1588 1 60 LEU HB3 1 62 ALA H . . 5.510 5.155 5.099 5.210 . 0 0 "[ . 1 . 2]" 1
1589 1 60 LEU HB3 1 63 CYS H . . 5.800 5.448 5.392 5.595 . 0 0 "[ . 1 . 2]" 1
1590 1 60 LEU HG 1 61 GLY H . . 5.340 4.161 4.061 4.693 . 0 0 "[ . 1 . 2]" 1
1591 1 60 LEU HG 1 61 GLY HA2 . . 5.730 3.996 3.877 4.916 . 0 0 "[ . 1 . 2]" 1
1592 1 60 LEU HG 1 63 CYS H . . 5.800 5.174 4.991 5.373 . 0 0 "[ . 1 . 2]" 1
1593 1 60 LEU HG 1 63 CYS HB3 . . 5.580 4.380 4.134 4.641 . 0 0 "[ . 1 . 2]" 1
1594 1 60 LEU HG 1 64 ASN H . . 5.600 4.698 4.338 5.496 . 0 0 "[ . 1 . 2]" 1
1595 1 60 LEU HG 1 64 ASN QB . . 5.740 3.820 3.226 4.447 . 0 0 "[ . 1 . 2]" 1
1596 1 60 LEU MD1 1 61 GLY H . . 5.430 4.623 4.588 4.908 . 0 0 "[ . 1 . 2]" 1
1597 1 60 LEU MD2 1 61 GLY H . . 5.430 4.657 3.360 4.799 . 0 0 "[ . 1 . 2]" 1
1598 1 60 LEU QD 1 61 GLY H . . 5.000 4.112 3.305 4.193 . 0 0 "[ . 1 . 2]" 1
1599 1 60 LEU QD 1 61 GLY HA2 . . 5.720 4.334 2.811 4.456 . 0 0 "[ . 1 . 2]" 1
1600 1 60 LEU QD 1 61 GLY HA3 . . 5.770 5.110 3.804 5.223 . 0 0 "[ . 1 . 2]" 1
1601 1 60 LEU QD 1 63 CYS HB3 . . 5.300 2.555 2.298 4.558 . 0 0 "[ . 1 . 2]" 1
1602 1 60 LEU QD 1 64 ASN H . . 5.180 3.992 3.720 4.633 . 0 0 "[ . 1 . 2]" 1
1603 1 60 LEU QD 1 64 ASN HA . . 5.770 4.629 4.482 5.419 . 0 0 "[ . 1 . 2]" 1
1604 1 60 LEU QD 1 64 ASN QB . . 5.220 3.641 3.073 4.331 . 0 0 "[ . 1 . 2]" 1
1605 1 61 GLY H 1 62 ALA H . . 4.230 2.554 2.500 2.600 . 0 0 "[ . 1 . 2]" 1
1606 1 61 GLY H 1 62 ALA HA . . 5.800 5.227 5.181 5.260 . 0 0 "[ . 1 . 2]" 1
1607 1 61 GLY H 1 62 ALA MB . . 5.390 4.227 4.188 4.265 . 0 0 "[ . 1 . 2]" 1
1608 1 61 GLY H 1 63 CYS H . . 5.370 3.943 3.848 4.027 . 0 0 "[ . 1 . 2]" 1
1609 1 61 GLY H 1 64 ASN H . . 5.710 4.859 4.742 5.030 . 0 0 "[ . 1 . 2]" 1
1610 1 61 GLY HA2 1 62 ALA HA . . 5.770 4.739 4.722 4.756 . 0 0 "[ . 1 . 2]" 1
1611 1 61 GLY HA2 1 63 CYS H . . 5.770 4.362 4.209 4.490 . 0 0 "[ . 1 . 2]" 1
1612 1 61 GLY HA2 1 64 ASN H . . 5.110 3.630 3.540 3.751 . 0 0 "[ . 1 . 2]" 1
1613 1 61 GLY HA2 1 64 ASN HB2 . . 5.670 3.529 2.936 4.109 . 0 0 "[ . 1 . 2]" 1
1614 1 61 GLY HA2 1 64 ASN HB3 . . 5.670 3.701 2.953 4.747 . 0 0 "[ . 1 . 2]" 1
1615 1 61 GLY HA2 1 64 ASN QB . . 5.250 2.972 2.865 3.090 . 0 0 "[ . 1 . 2]" 1
1616 1 61 GLY HA3 1 62 ALA H . . 4.660 2.970 2.941 2.996 . 0 0 "[ . 1 . 2]" 1
1617 1 61 GLY HA3 1 63 CYS H . . 5.620 4.690 4.626 4.775 . 0 0 "[ . 1 . 2]" 1
1618 1 61 GLY HA3 1 64 ASN H . . 5.670 4.766 4.695 4.819 . 0 0 "[ . 1 . 2]" 1
1619 1 61 GLY HA3 1 64 ASN QB . . 5.600 4.483 4.386 4.607 . 0 0 "[ . 1 . 2]" 1
1620 1 62 ALA H 1 63 CYS H . . 4.280 2.366 2.309 2.400 . 0 0 "[ . 1 . 2]" 1
1621 1 62 ALA H 1 63 CYS HB2 . . 5.510 4.607 4.481 4.685 . 0 0 "[ . 1 . 2]" 1
1622 1 62 ALA H 1 63 CYS HB3 . . 5.630 4.598 4.535 4.667 . 0 0 "[ . 1 . 2]" 1
1623 1 62 ALA H 1 64 ASN H . . 5.140 3.873 3.744 4.002 . 0 0 "[ . 1 . 2]" 1
1624 1 62 ALA H 1 85 TYR QE . . 5.740 5.441 5.142 5.633 . 0 0 "[ . 1 . 2]" 1
1625 1 62 ALA HA 1 64 ASN H . . 5.460 3.984 3.610 4.347 . 0 0 "[ . 1 . 2]" 1
1626 1 62 ALA HA 1 65 ALA H . . 4.790 3.350 3.141 3.592 . 0 0 "[ . 1 . 2]" 1
1627 1 62 ALA HA 1 65 ALA HA . . 5.800 5.435 5.255 5.605 . 0 0 "[ . 1 . 2]" 1
1628 1 62 ALA HA 1 65 ALA MB . . 4.420 2.754 2.584 2.896 . 0 0 "[ . 1 . 2]" 1
1629 1 62 ALA HA 1 66 VAL H . . 5.450 4.599 4.327 4.846 . 0 0 "[ . 1 . 2]" 1
1630 1 62 ALA HA 1 66 VAL QG . . 5.230 4.105 3.833 4.282 . 0 0 "[ . 1 . 2]" 1
1631 1 62 ALA MB 1 63 CYS H . . 4.140 2.736 2.666 2.853 . 0 0 "[ . 1 . 2]" 1
1632 1 62 ALA MB 1 64 ASN H . . 5.500 4.411 4.250 4.616 . 0 0 "[ . 1 . 2]" 1
1633 1 62 ALA MB 1 66 VAL QG . . 4.890 3.790 3.607 3.924 . 0 0 "[ . 1 . 2]" 1
1634 1 62 ALA MB 1 85 TYR QD . . 4.640 3.194 2.566 3.530 . 0 0 "[ . 1 . 2]" 1
1635 1 62 ALA MB 1 85 TYR QE . . 4.480 3.327 3.033 3.722 . 0 0 "[ . 1 . 2]" 1
1636 1 63 CYS H 1 63 CYS HB3 . . 4.200 2.475 2.428 2.517 . 0 0 "[ . 1 . 2]" 1
1637 1 63 CYS H 1 64 ASN H . . 4.270 2.532 2.410 2.603 . 0 0 "[ . 1 . 2]" 1
1638 1 63 CYS H 1 64 ASN HA . . 5.800 5.174 5.090 5.227 . 0 0 "[ . 1 . 2]" 1
1639 1 63 CYS H 1 65 ALA H . . 5.330 4.014 3.860 4.154 . 0 0 "[ . 1 . 2]" 1
1640 1 63 CYS H 1 66 VAL H . . 5.740 5.216 4.995 5.433 . 0 0 "[ . 1 . 2]" 1
1641 1 63 CYS H 1 66 VAL QG . . 5.550 5.161 5.006 5.314 . 0 0 "[ . 1 . 2]" 1
1642 1 63 CYS H 1 85 TYR QD . . 5.650 5.521 4.965 5.768 0.118 18 0 "[ . 1 . 2]" 1
1643 1 63 CYS H 1 85 TYR QE . . 4.810 3.868 3.643 4.020 . 0 0 "[ . 1 . 2]" 1
1644 1 63 CYS HA 1 66 VAL H . . 5.370 3.734 3.351 4.074 . 0 0 "[ . 1 . 2]" 1
1645 1 63 CYS HA 1 66 VAL HB . . 4.930 3.678 3.229 4.102 . 0 0 "[ . 1 . 2]" 1
1646 1 63 CYS HA 1 66 VAL QG . . 4.700 3.787 3.458 4.068 . 0 0 "[ . 1 . 2]" 1
1647 1 63 CYS HB2 1 64 ASN H . . 4.930 4.118 3.983 4.284 . 0 0 "[ . 1 . 2]" 1
1648 1 63 CYS HB2 1 64 ASN HA . . 5.800 5.768 5.706 5.854 0.054 9 0 "[ . 1 . 2]" 1
1649 1 63 CYS HB2 1 85 TYR QE . . 5.490 3.374 2.748 3.807 . 0 0 "[ . 1 . 2]" 1
1650 1 63 CYS HB3 1 64 ASN H . . 4.280 3.066 2.799 3.433 . 0 0 "[ . 1 . 2]" 1
1651 1 63 CYS HB3 1 64 ASN HA . . 5.560 4.471 4.364 4.623 . 0 0 "[ . 1 . 2]" 1
1652 1 63 CYS HB3 1 85 TYR QE . . 5.670 4.637 4.225 4.921 . 0 0 "[ . 1 . 2]" 1
1653 1 64 ASN H 1 65 ALA H . . 4.330 2.383 2.044 2.616 . 0 0 "[ . 1 . 2]" 1
1654 1 64 ASN H 1 65 ALA HA . . 5.800 4.984 4.742 5.211 . 0 0 "[ . 1 . 2]" 1
1655 1 64 ASN H 1 65 ALA MB . . 5.560 4.011 3.756 4.234 . 0 0 "[ . 1 . 2]" 1
1656 1 64 ASN H 1 66 VAL QG . . 5.580 5.094 4.811 5.244 . 0 0 "[ . 1 . 2]" 1
1657 1 64 ASN HA 1 65 ALA HA . . 5.540 4.709 4.572 4.733 . 0 0 "[ . 1 . 2]" 1
1658 1 64 ASN HA 1 65 ALA MB . . 5.800 4.964 4.837 4.986 . 0 0 "[ . 1 . 2]" 1
1659 1 64 ASN HA 1 66 VAL H . . 5.580 4.335 4.214 4.457 . 0 0 "[ . 1 . 2]" 1
1660 1 64 ASN HB2 1 65 ALA H . . 5.110 3.793 3.118 4.438 . 0 0 "[ . 1 . 2]" 1
1661 1 64 ASN HB2 1 65 ALA HA . . 5.800 5.254 4.484 5.863 0.063 13 0 "[ . 1 . 2]" 1
1662 1 64 ASN HB3 1 65 ALA H . . 5.110 3.564 3.106 4.062 . 0 0 "[ . 1 . 2]" 1
1663 1 64 ASN HB3 1 65 ALA HA . . 5.800 4.443 4.375 4.658 . 0 0 "[ . 1 . 2]" 1
1664 1 64 ASN QB 1 65 ALA H . . 4.780 3.117 3.014 3.544 . 0 0 "[ . 1 . 2]" 1
1665 1 64 ASN QB 1 65 ALA MB . . 5.360 3.938 3.848 4.065 . 0 0 "[ . 1 . 2]" 1
1666 1 65 ALA H 1 66 VAL H . . 4.900 2.402 2.082 2.451 . 0 0 "[ . 1 . 2]" 1
1667 1 65 ALA H 1 66 VAL HB . . 5.730 4.681 4.334 4.770 . 0 0 "[ . 1 . 2]" 1
1668 1 65 ALA H 1 66 VAL QG . . 5.320 3.729 3.498 3.829 . 0 0 "[ . 1 . 2]" 1
1669 1 65 ALA H 1 67 ASN H . . 5.320 3.690 3.463 3.853 . 0 0 "[ . 1 . 2]" 1
1670 1 65 ALA HA 1 66 VAL HA . . 5.600 4.662 4.637 4.686 . 0 0 "[ . 1 . 2]" 1
1671 1 65 ALA HA 1 66 VAL QG . . 5.620 4.553 4.501 4.584 . 0 0 "[ . 1 . 2]" 1
1672 1 65 ALA HA 1 68 TYR H . . 5.040 4.099 3.932 4.278 . 0 0 "[ . 1 . 2]" 1
1673 1 65 ALA HA 1 68 TYR HB2 . . 5.250 4.567 4.311 4.675 . 0 0 "[ . 1 . 2]" 1
1674 1 65 ALA HA 1 68 TYR HB3 . . 5.370 3.925 3.774 4.060 . 0 0 "[ . 1 . 2]" 1
1675 1 65 ALA HA 1 69 ALA H . . 5.450 4.878 4.668 5.058 . 0 0 "[ . 1 . 2]" 1
1676 1 65 ALA HA 1 69 ALA MB . . 5.720 4.987 4.738 5.217 . 0 0 "[ . 1 . 2]" 1
1677 1 65 ALA HA 1 83 VAL MG1 . . 5.520 4.203 4.028 4.408 . 0 0 "[ . 1 . 2]" 1
1678 1 65 ALA HA 1 83 VAL MG2 . . 5.520 5.060 4.850 5.250 . 0 0 "[ . 1 . 2]" 1
1679 1 65 ALA HA 1 83 VAL QG . . 5.130 4.008 3.847 4.191 . 0 0 "[ . 1 . 2]" 1
1680 1 65 ALA MB 1 66 VAL H . . 4.420 2.785 2.692 2.882 . 0 0 "[ . 1 . 2]" 1
1681 1 65 ALA MB 1 66 VAL HA . . 5.370 3.991 3.965 4.025 . 0 0 "[ . 1 . 2]" 1
1682 1 65 ALA MB 1 66 VAL QG . . 4.490 2.842 2.787 2.902 . 0 0 "[ . 1 . 2]" 1
1683 1 65 ALA MB 1 67 ASN H . . 5.490 4.401 4.282 4.548 . 0 0 "[ . 1 . 2]" 1
1684 1 65 ALA MB 1 68 TYR H . . 5.620 4.938 4.872 5.044 . 0 0 "[ . 1 . 2]" 1
1685 1 65 ALA MB 1 68 TYR HB2 . . 5.800 5.815 5.624 5.881 0.081 3 0 "[ . 1 . 2]" 1
1686 1 65 ALA MB 1 68 TYR HB3 . . 5.480 5.022 4.902 5.092 . 0 0 "[ . 1 . 2]" 1
1687 1 65 ALA MB 1 69 ALA H . . 5.790 5.153 4.968 5.335 . 0 0 "[ . 1 . 2]" 1
1688 1 65 ALA MB 1 83 VAL HB . . 5.110 4.831 4.572 5.059 . 0 0 "[ . 1 . 2]" 1
1689 1 65 ALA MB 1 83 VAL MG1 . . 4.510 2.925 2.740 3.158 . 0 0 "[ . 1 . 2]" 1
1690 1 65 ALA MB 1 83 VAL MG2 . . 4.510 2.976 2.781 3.150 . 0 0 "[ . 1 . 2]" 1
1691 1 65 ALA MB 1 83 VAL QG . . 4.000 2.627 2.459 2.810 . 0 0 "[ . 1 . 2]" 1
1692 1 65 ALA MB 1 85 TYR QE . . 5.720 5.329 5.001 5.733 0.013 17 0 "[ . 1 . 2]" 1
1693 1 66 VAL H 1 66 VAL QG . . 4.150 2.230 2.151 2.327 . 0 0 "[ . 1 . 2]" 1
1694 1 66 VAL H 1 67 ASN H . . 4.620 2.322 2.255 2.372 . 0 0 "[ . 1 . 2]" 1
1695 1 66 VAL H 1 85 TYR H . . 6.000 6.098 6.038 6.146 0.146 15 0 "[ . 1 . 2]" 1
1696 1 66 VAL H 1 85 TYR QD . . 5.800 5.505 5.357 5.711 . 0 0 "[ . 1 . 2]" 1
1697 1 66 VAL H 1 85 TYR QE . . 5.650 4.470 4.119 4.833 . 0 0 "[ . 1 . 2]" 1
1698 1 66 VAL HA 1 68 TYR H . . 5.240 3.446 3.265 3.656 . 0 0 "[ . 1 . 2]" 1
1699 1 66 VAL HA 1 69 ALA H . . 4.800 2.938 2.870 3.104 . 0 0 "[ . 1 . 2]" 1
1700 1 66 VAL HA 1 69 ALA HA . . 5.800 5.206 5.049 5.443 . 0 0 "[ . 1 . 2]" 1
1701 1 66 VAL HA 1 69 ALA MB . . 4.200 2.573 2.329 2.781 . 0 0 "[ . 1 . 2]" 1
1702 1 66 VAL HA 1 70 ALA HA . . 5.800 5.604 5.397 5.832 0.032 18 0 "[ . 1 . 2]" 1
1703 1 66 VAL HA 1 70 ALA MB . . 5.560 4.168 3.949 4.401 . 0 0 "[ . 1 . 2]" 1
1704 1 66 VAL HA 1 83 VAL MG1 . . 4.480 2.887 2.752 3.115 . 0 0 "[ . 1 . 2]" 1
1705 1 66 VAL HA 1 83 VAL MG2 . . 4.480 3.747 3.529 4.018 . 0 0 "[ . 1 . 2]" 1
1706 1 66 VAL HA 1 84 ASN H . . 5.800 5.556 5.476 5.659 . 0 0 "[ . 1 . 2]" 1
1707 1 66 VAL HA 1 84 ASN QB . . 5.140 4.886 4.701 5.048 . 0 0 "[ . 1 . 2]" 1
1708 1 66 VAL HA 1 85 TYR QE . . 5.800 5.490 5.325 5.801 0.001 17 0 "[ . 1 . 2]" 1
1709 1 66 VAL HB 1 67 ASN H . . 4.540 3.217 3.123 3.333 . 0 0 "[ . 1 . 2]" 1
1710 1 66 VAL HB 1 68 TYR H . . 5.790 5.021 4.921 5.150 . 0 0 "[ . 1 . 2]" 1
1711 1 66 VAL HB 1 84 ASN QB . . 5.740 5.561 5.273 5.850 0.110 3 0 "[ . 1 . 2]" 1
1712 1 66 VAL HB 1 85 TYR QE . . 5.470 3.139 2.895 3.520 . 0 0 "[ . 1 . 2]" 1
1713 1 66 VAL MG1 1 67 ASN H . . 4.990 3.962 3.842 4.068 . 0 0 "[ . 1 . 2]" 1
1714 1 66 VAL MG1 1 68 TYR H . . 5.800 4.550 4.397 4.722 . 0 0 "[ . 1 . 2]" 1
1715 1 66 VAL MG1 1 69 ALA H . . 5.720 4.208 4.087 4.281 . 0 0 "[ . 1 . 2]" 1
1716 1 66 VAL MG1 1 69 ALA MB . . 5.310 3.366 3.063 3.528 . 0 0 "[ . 1 . 2]" 1
1717 1 66 VAL MG1 1 84 ASN HA . . 4.890 2.073 2.015 2.167 . 0 0 "[ . 1 . 2]" 1
1718 1 66 VAL MG1 1 84 ASN HB2 . . 5.320 3.180 3.039 3.325 . 0 0 "[ . 1 . 2]" 1
1719 1 66 VAL MG1 1 84 ASN HB3 . . 5.320 3.583 2.974 4.233 . 0 0 "[ . 1 . 2]" 1
1720 1 66 VAL MG1 1 85 TYR H . . 4.880 2.451 2.336 2.563 . 0 0 "[ . 1 . 2]" 1
1721 1 66 VAL MG1 1 85 TYR HB3 . . 5.800 4.996 4.621 5.250 . 0 0 "[ . 1 . 2]" 1
1722 1 66 VAL MG1 1 85 TYR QD . . 4.940 2.788 2.606 2.990 . 0 0 "[ . 1 . 2]" 1
1723 1 66 VAL MG1 1 85 TYR QE . . 4.670 2.658 2.514 2.784 . 0 0 "[ . 1 . 2]" 1
1724 1 66 VAL MG2 1 67 ASN H . . 4.990 4.005 3.966 4.049 . 0 0 "[ . 1 . 2]" 1
1725 1 66 VAL MG2 1 69 ALA H . . 5.720 4.841 4.767 4.945 . 0 0 "[ . 1 . 2]" 1
1726 1 66 VAL MG2 1 69 ALA MB . . 5.310 3.782 3.588 3.981 . 0 0 "[ . 1 . 2]" 1
1727 1 66 VAL MG2 1 84 ASN HA . . 4.890 2.056 2.007 2.118 . 0 0 "[ . 1 . 2]" 1
1728 1 66 VAL MG2 1 84 ASN HB2 . . 5.320 4.026 3.931 4.132 . 0 0 "[ . 1 . 2]" 1
1729 1 66 VAL MG2 1 84 ASN HB3 . . 5.320 4.292 4.013 4.620 . 0 0 "[ . 1 . 2]" 1
1730 1 66 VAL MG2 1 85 TYR H . . 4.880 2.391 2.273 2.475 . 0 0 "[ . 1 . 2]" 1
1731 1 66 VAL MG2 1 85 TYR HB3 . . 5.800 3.978 3.040 4.420 . 0 0 "[ . 1 . 2]" 1
1732 1 66 VAL MG2 1 85 TYR QD . . 4.940 3.033 2.960 3.109 . 0 0 "[ . 1 . 2]" 1
1733 1 66 VAL MG2 1 85 TYR QE . . 4.670 3.230 3.063 3.472 . 0 0 "[ . 1 . 2]" 1
1734 1 66 VAL QG 1 67 ASN HA . . 5.140 3.826 3.675 3.968 . 0 0 "[ . 1 . 2]" 1
1735 1 66 VAL QG 1 68 TYR H . . 5.450 4.227 4.118 4.362 . 0 0 "[ . 1 . 2]" 1
1736 1 66 VAL QG 1 69 ALA H . . 5.350 3.963 3.878 4.025 . 0 0 "[ . 1 . 2]" 1
1737 1 66 VAL QG 1 69 ALA MB . . 4.780 3.146 2.916 3.300 . 0 0 "[ . 1 . 2]" 1
1738 1 66 VAL QG 1 70 ALA MB . . 4.930 2.499 2.272 2.727 . 0 0 "[ . 1 . 2]" 1
1739 1 66 VAL QG 1 83 VAL H . . 5.660 4.533 4.427 4.648 . 0 0 "[ . 1 . 2]" 1
1740 1 66 VAL QG 1 83 VAL QG . . 3.980 2.295 2.168 2.492 . 0 0 "[ . 1 . 2]" 1
1741 1 66 VAL QG 1 84 ASN H . . 5.420 3.491 3.419 3.548 . 0 0 "[ . 1 . 2]" 1
1742 1 66 VAL QG 1 84 ASN HA . . 4.410 1.838 1.810 1.887 . 0 0 "[ . 1 . 2]" 1
1743 1 66 VAL QG 1 84 ASN QB . . 4.570 2.820 2.623 3.018 . 0 0 "[ . 1 . 2]" 1
1744 1 66 VAL QG 1 85 TYR H . . 4.510 2.153 2.081 2.205 . 0 0 "[ . 1 . 2]" 1
1745 1 66 VAL QG 1 85 TYR HB2 . . 5.770 3.873 3.672 4.134 . 0 0 "[ . 1 . 2]" 1
1746 1 66 VAL QG 1 85 TYR HB3 . . 5.190 3.809 3.002 4.201 . 0 0 "[ . 1 . 2]" 1
1747 1 66 VAL QG 1 85 TYR QE . . 4.270 2.537 2.430 2.598 . 0 0 "[ . 1 . 2]" 1
1748 1 67 ASN H 1 68 TYR H . . 4.950 2.638 2.584 2.713 . 0 0 "[ . 1 . 2]" 1
1749 1 67 ASN H 1 68 TYR HB3 . . 5.710 4.792 4.727 4.907 . 0 0 "[ . 1 . 2]" 1
1750 1 67 ASN H 1 69 ALA H . . 5.530 4.174 4.099 4.300 . 0 0 "[ . 1 . 2]" 1
1751 1 67 ASN H 1 70 ALA MB . . 5.400 4.938 4.799 5.039 . 0 0 "[ . 1 . 2]" 1
1752 1 68 TYR H 1 68 TYR QD . . 5.190 4.226 4.184 4.271 . 0 0 "[ . 1 . 2]" 1
1753 1 68 TYR H 1 70 ALA MB . . 5.450 4.482 4.293 4.651 . 0 0 "[ . 1 . 2]" 1
1754 1 68 TYR HA 1 68 TYR QD . . 4.550 2.926 2.683 3.056 . 0 0 "[ . 1 . 2]" 1
1755 1 68 TYR HA 1 68 TYR QE . . 5.490 4.661 4.577 4.719 . 0 0 "[ . 1 . 2]" 1
1756 1 68 TYR HA 1 69 ALA MB . . 5.660 4.983 4.947 4.999 . 0 0 "[ . 1 . 2]" 1
1757 1 68 TYR HA 1 70 ALA H . . 5.570 4.005 3.933 4.127 . 0 0 "[ . 1 . 2]" 1
1758 1 68 TYR HB2 1 69 ALA H . . 5.020 3.973 3.927 4.048 . 0 0 "[ . 1 . 2]" 1
1759 1 68 TYR HB2 1 69 ALA MB . . 5.750 5.145 5.103 5.180 . 0 0 "[ . 1 . 2]" 1
1760 1 68 TYR HB2 1 70 ALA H . . 5.770 5.586 5.530 5.659 . 0 0 "[ . 1 . 2]" 1
1761 1 68 TYR HB2 1 72 ASN QB . . 5.740 5.605 5.379 5.731 . 0 0 "[ . 1 . 2]" 1
1762 1 68 TYR HB2 1 74 ILE HG12 . . 5.590 5.512 5.331 5.586 . 0 0 "[ . 1 . 2]" 1
1763 1 68 TYR HB2 1 74 ILE HG13 . . 5.700 5.728 5.673 5.787 0.087 18 0 "[ . 1 . 2]" 1
1764 1 68 TYR HB3 1 69 ALA H . . 4.770 2.760 2.702 2.854 . 0 0 "[ . 1 . 2]" 1
1765 1 68 TYR HB3 1 69 ALA MB . . 5.100 3.737 3.678 3.789 . 0 0 "[ . 1 . 2]" 1
1766 1 68 TYR HB3 1 74 ILE HG13 . . 5.800 4.188 4.127 4.237 . 0 0 "[ . 1 . 2]" 1
1767 1 68 TYR QD 1 69 ALA H . . 4.740 3.649 3.593 3.728 . 0 0 "[ . 1 . 2]" 1
1768 1 68 TYR QD 1 69 ALA HA . . 4.790 3.296 3.059 3.612 . 0 0 "[ . 1 . 2]" 1
1769 1 68 TYR QD 1 69 ALA MB . . 4.570 3.387 3.136 3.611 . 0 0 "[ . 1 . 2]" 1
1770 1 68 TYR QD 1 72 ASN HB2 . . 5.510 4.617 3.585 5.255 . 0 0 "[ . 1 . 2]" 1
1771 1 68 TYR QD 1 72 ASN HB3 . . 5.510 4.120 3.571 4.951 . 0 0 "[ . 1 . 2]" 1
1772 1 68 TYR QD 1 72 ASN QB . . 5.180 3.619 3.488 3.832 . 0 0 "[ . 1 . 2]" 1
1773 1 68 TYR QD 1 73 GLN H . . 5.800 5.812 5.693 5.876 0.076 12 0 "[ . 1 . 2]" 1
1774 1 68 TYR QD 1 74 ILE H . . 5.460 5.235 5.110 5.364 . 0 0 "[ . 1 . 2]" 1
1775 1 68 TYR QD 1 74 ILE HB . . 4.950 3.113 2.976 3.603 . 0 0 "[ . 1 . 2]" 1
1776 1 68 TYR QD 1 74 ILE HG12 . . 4.750 2.515 2.335 2.701 . 0 0 "[ . 1 . 2]" 1
1777 1 68 TYR QD 1 74 ILE HG13 . . 4.730 3.269 3.071 3.465 . 0 0 "[ . 1 . 2]" 1
1778 1 68 TYR QD 1 74 ILE MD . . 5.140 4.115 3.890 4.271 . 0 0 "[ . 1 . 2]" 1
1779 1 68 TYR QD 1 74 ILE MG . . 5.320 4.452 4.317 4.784 . 0 0 "[ . 1 . 2]" 1
1780 1 68 TYR QE 1 69 ALA H . . 5.770 5.818 5.763 5.850 0.080 15 0 "[ . 1 . 2]" 1
1781 1 68 TYR QE 1 72 ASN HB2 . . 5.620 4.240 3.333 5.019 . 0 0 "[ . 1 . 2]" 1
1782 1 68 TYR QE 1 72 ASN HB3 . . 5.620 3.504 3.061 4.005 . 0 0 "[ . 1 . 2]" 1
1783 1 68 TYR QE 1 73 GLN H . . 5.470 4.773 4.555 4.872 . 0 0 "[ . 1 . 2]" 1
1784 1 68 TYR QE 1 74 ILE H . . 5.410 4.960 4.771 5.129 . 0 0 "[ . 1 . 2]" 1
1785 1 68 TYR QE 1 74 ILE HB . . 5.000 3.863 3.672 4.402 . 0 0 "[ . 1 . 2]" 1
1786 1 68 TYR QE 1 74 ILE HG12 . . 4.910 2.773 2.540 2.970 . 0 0 "[ . 1 . 2]" 1
1787 1 68 TYR QE 1 74 ILE HG13 . . 5.280 4.384 4.162 4.677 . 0 0 "[ . 1 . 2]" 1
1788 1 68 TYR QE 1 75 TYR H . . 5.450 4.531 4.254 4.879 . 0 0 "[ . 1 . 2]" 1
1789 1 69 ALA H 1 70 ALA H . . 4.700 2.543 2.494 2.585 . 0 0 "[ . 1 . 2]" 1
1790 1 69 ALA H 1 70 ALA HA . . 5.660 5.071 4.929 5.143 . 0 0 "[ . 1 . 2]" 1
1791 1 69 ALA H 1 70 ALA MB . . 5.620 4.137 4.049 4.196 . 0 0 "[ . 1 . 2]" 1
1792 1 69 ALA H 1 72 ASN QB . . 5.740 5.390 5.099 5.724 . 0 0 "[ . 1 . 2]" 1
1793 1 69 ALA H 1 74 ILE HB . . 5.240 4.904 4.817 5.143 . 0 0 "[ . 1 . 2]" 1
1794 1 69 ALA H 1 74 ILE HG12 . . 5.560 5.564 5.149 5.620 0.060 16 0 "[ . 1 . 2]" 1
1795 1 69 ALA H 1 74 ILE HG13 . . 5.530 5.135 4.961 5.289 . 0 0 "[ . 1 . 2]" 1
1796 1 69 ALA H 1 83 VAL MG1 . . 5.460 3.633 3.567 3.680 . 0 0 "[ . 1 . 2]" 1
1797 1 69 ALA H 1 83 VAL MG2 . . 5.460 5.498 5.425 5.570 0.110 6 0 "[ . 1 . 2]" 1
1798 1 69 ALA H 1 83 VAL QG . . 4.860 3.585 3.522 3.625 . 0 0 "[ . 1 . 2]" 1
1799 1 69 ALA HA 1 71 ASP H . . 5.160 3.436 3.344 3.514 . 0 0 "[ . 1 . 2]" 1
1800 1 69 ALA HA 1 72 ASN H . . 5.000 2.940 2.728 3.125 . 0 0 "[ . 1 . 2]" 1
1801 1 69 ALA HA 1 72 ASN QB . . 5.100 3.726 3.298 4.246 . 0 0 "[ . 1 . 2]" 1
1802 1 69 ALA HA 1 73 GLN H . . 5.630 5.115 4.914 5.300 . 0 0 "[ . 1 . 2]" 1
1803 1 69 ALA HA 1 73 GLN HA . . 5.030 3.898 3.749 4.044 . 0 0 "[ . 1 . 2]" 1
1804 1 69 ALA HA 1 74 ILE H . . 5.210 4.729 4.536 4.933 . 0 0 "[ . 1 . 2]" 1
1805 1 69 ALA HA 1 74 ILE HB . . 5.000 3.553 3.331 3.771 . 0 0 "[ . 1 . 2]" 1
1806 1 69 ALA HA 1 82 PHE QD . . 4.960 4.171 3.965 4.395 . 0 0 "[ . 1 . 2]" 1
1807 1 69 ALA HA 1 83 VAL QG . . 5.180 4.061 3.955 4.158 . 0 0 "[ . 1 . 2]" 1
1808 1 69 ALA MB 1 70 ALA H . . 4.570 3.215 3.057 3.349 . 0 0 "[ . 1 . 2]" 1
1809 1 69 ALA MB 1 70 ALA HA . . 5.160 4.089 4.066 4.128 . 0 0 "[ . 1 . 2]" 1
1810 1 69 ALA MB 1 73 GLN HA . . 5.070 4.110 3.892 4.313 . 0 0 "[ . 1 . 2]" 1
1811 1 69 ALA MB 1 74 ILE H . . 4.900 4.156 3.963 4.326 . 0 0 "[ . 1 . 2]" 1
1812 1 69 ALA MB 1 74 ILE HB . . 3.960 2.691 2.477 2.964 . 0 0 "[ . 1 . 2]" 1
1813 1 69 ALA MB 1 74 ILE HG13 . . 5.000 3.491 3.297 3.602 . 0 0 "[ . 1 . 2]" 1
1814 1 69 ALA MB 1 74 ILE MG . . 4.780 3.085 2.949 3.610 . 0 0 "[ . 1 . 2]" 1
1815 1 69 ALA MB 1 82 PHE H . . 5.660 5.402 5.211 5.661 0.001 18 0 "[ . 1 . 2]" 1
1816 1 69 ALA MB 1 82 PHE HB2 . . 5.800 4.857 4.663 5.042 . 0 0 "[ . 1 . 2]" 1
1817 1 69 ALA MB 1 83 VAL H . . 4.950 2.100 1.985 2.267 . 0 0 "[ . 1 . 2]" 1
1818 1 69 ALA MB 1 83 VAL HB . . 5.070 4.047 3.983 4.161 . 0 0 "[ . 1 . 2]" 1
1819 1 69 ALA MB 1 83 VAL MG1 . . 4.690 1.898 1.854 1.931 . 0 0 "[ . 1 . 2]" 1
1820 1 69 ALA MB 1 83 VAL MG2 . . 4.690 3.695 3.618 3.749 . 0 0 "[ . 1 . 2]" 1
1821 1 69 ALA MB 1 83 VAL QG . . 3.920 1.892 1.848 1.925 . 0 0 "[ . 1 . 2]" 1
1822 1 69 ALA MB 1 84 ASN QB . . 4.890 4.225 4.011 4.424 . 0 0 "[ . 1 . 2]" 1
1823 1 70 ALA H 1 71 ASP H . . 4.930 2.543 2.435 2.594 . 0 0 "[ . 1 . 2]" 1
1824 1 70 ALA H 1 71 ASP HA . . 5.800 5.180 5.089 5.243 . 0 0 "[ . 1 . 2]" 1
1825 1 70 ALA H 1 84 ASN QB . . 6.000 6.068 6.028 6.098 0.098 18 0 "[ . 1 . 2]" 1
1826 1 70 ALA HA 1 71 ASP HA . . 5.400 4.502 4.487 4.522 . 0 0 "[ . 1 . 2]" 1
1827 1 70 ALA MB 1 71 ASP H . . 4.310 3.303 3.199 3.369 . 0 0 "[ . 1 . 2]" 1
1828 1 70 ALA MB 1 71 ASP HA . . 5.260 4.336 4.302 4.368 . 0 0 "[ . 1 . 2]" 1
1829 1 70 ALA MB 1 84 ASN QB . . 5.740 4.623 4.351 4.839 . 0 0 "[ . 1 . 2]" 1
1830 1 71 ASP H 1 72 ASN H . . 4.630 1.749 1.724 1.779 . 0 0 "[ . 1 . 2]" 1
1831 1 71 ASP H 1 72 ASN HA . . 5.550 4.534 4.520 4.551 . 0 0 "[ . 1 . 2]" 1
1832 1 71 ASP H 1 72 ASN QB . . 5.240 3.897 3.638 4.030 . 0 0 "[ . 1 . 2]" 1
1833 1 71 ASP HA 1 72 ASN HA . . 5.470 4.543 4.509 4.560 . 0 0 "[ . 1 . 2]" 1
1834 1 72 ASN H 1 73 GLN H . . 5.300 4.401 4.376 4.421 . 0 0 "[ . 1 . 2]" 1
1835 1 72 ASN HA 1 73 GLN H . . 4.090 2.501 2.444 2.575 . 0 0 "[ . 1 . 2]" 1
1836 1 72 ASN QB 1 73 GLN H . . 4.800 2.938 2.264 3.379 . 0 0 "[ . 1 . 2]" 1
1837 1 73 GLN H 1 73 GLN HG2 . . 4.900 2.759 1.975 3.481 . 0 0 "[ . 1 . 2]" 1
1838 1 73 GLN H 1 73 GLN HG3 . . 4.900 3.645 3.327 3.908 . 0 0 "[ . 1 . 2]" 1
1839 1 73 GLN H 1 74 ILE H . . 5.380 4.632 4.590 4.669 . 0 0 "[ . 1 . 2]" 1
1840 1 73 GLN H 1 75 TYR QR . . 5.800 5.198 5.020 5.321 . 0 0 "[ . 1 . 2]" 1
1841 1 73 GLN H 1 80 PRO QB . . 5.770 5.328 5.185 5.537 . 0 0 "[ . 1 . 2]" 1
1842 1 73 GLN H 1 82 PHE QE . . 5.020 4.153 3.875 4.428 . 0 0 "[ . 1 . 2]" 1
1843 1 73 GLN HA 1 74 ILE H . . 3.780 2.363 2.326 2.400 . 0 0 "[ . 1 . 2]" 1
1844 1 73 GLN HA 1 74 ILE MG . . 5.410 4.293 4.242 4.616 . 0 0 "[ . 1 . 2]" 1
1845 1 73 GLN HA 1 75 TYR QR . . 5.800 5.777 5.646 5.828 0.028 19 0 "[ . 1 . 2]" 1
1846 1 73 GLN HA 1 80 PRO QB . . 5.600 4.738 4.559 5.016 . 0 0 "[ . 1 . 2]" 1
1847 1 73 GLN HB2 1 81 ALA H . . 5.740 3.126 2.980 3.378 . 0 0 "[ . 1 . 2]" 1
1848 1 73 GLN HB3 1 81 ALA H . . 5.740 4.870 4.671 5.146 . 0 0 "[ . 1 . 2]" 1
1849 1 73 GLN HG2 1 74 ILE H . . 5.630 4.070 3.504 4.715 . 0 0 "[ . 1 . 2]" 1
1850 1 73 GLN HG2 1 75 TYR QR . . 4.990 3.288 2.899 3.896 . 0 0 "[ . 1 . 2]" 1
1851 1 73 GLN HG2 1 80 PRO HA . . 5.340 4.417 3.490 5.385 0.045 3 0 "[ . 1 . 2]" 1
1852 1 73 GLN HG3 1 74 ILE H . . 5.630 4.312 3.705 4.760 . 0 0 "[ . 1 . 2]" 1
1853 1 73 GLN HG3 1 75 TYR QR . . 4.990 3.534 3.030 3.913 . 0 0 "[ . 1 . 2]" 1
1854 1 73 GLN HG3 1 80 PRO HA . . 5.340 3.809 3.645 4.074 . 0 0 "[ . 1 . 2]" 1
1855 1 73 GLN QB 1 74 ILE H . . 4.740 2.653 2.527 2.773 . 0 0 "[ . 1 . 2]" 1
1856 1 73 GLN QB 1 75 TYR QR . . 5.260 4.540 4.423 4.599 . 0 0 "[ . 1 . 2]" 1
1857 1 73 GLN QB 1 80 PRO HA . . 5.400 3.683 3.542 3.906 . 0 0 "[ . 1 . 2]" 1
1858 1 73 GLN QB 1 80 PRO QB . . 4.960 2.540 2.393 2.825 . 0 0 "[ . 1 . 2]" 1
1859 1 73 GLN QB 1 81 ALA H . . 5.410 3.091 2.948 3.335 . 0 0 "[ . 1 . 2]" 1
1860 1 73 GLN QG 1 74 ILE H . . 5.310 3.597 3.395 3.765 . 0 0 "[ . 1 . 2]" 1
1861 1 73 GLN QG 1 75 TYR QR . . 4.640 2.904 2.804 2.986 . 0 0 "[ . 1 . 2]" 1
1862 1 73 GLN QG 1 80 PRO HA . . 4.950 3.507 3.245 3.635 . 0 0 "[ . 1 . 2]" 1
1863 1 73 GLN QG 1 81 ALA H . . 5.250 3.987 3.666 4.084 . 0 0 "[ . 1 . 2]" 1
1864 1 73 GLN QG 1 81 ALA MB . . 5.740 5.699 5.408 5.816 0.076 10 0 "[ . 1 . 2]" 1
1865 1 73 GLN QG 1 82 PHE QE . . 5.740 4.576 4.455 4.728 . 0 0 "[ . 1 . 2]" 1
1866 1 74 ILE H 1 74 ILE HB . . 3.970 2.717 2.455 2.776 . 0 0 "[ . 1 . 2]" 1
1867 1 74 ILE H 1 74 ILE HG12 . . 5.100 4.519 4.265 4.555 . 0 0 "[ . 1 . 2]" 1
1868 1 74 ILE H 1 74 ILE HG13 . . 5.380 4.885 4.723 4.934 . 0 0 "[ . 1 . 2]" 1
1869 1 74 ILE H 1 74 ILE MD . . 5.520 4.405 4.389 4.436 . 0 0 "[ . 1 . 2]" 1
1870 1 74 ILE H 1 74 ILE MG . . 4.400 2.496 2.445 2.681 . 0 0 "[ . 1 . 2]" 1
1871 1 74 ILE H 1 75 TYR H . . 5.400 4.442 4.415 4.561 . 0 0 "[ . 1 . 2]" 1
1872 1 74 ILE H 1 75 TYR QR . . 5.770 4.919 4.815 4.973 . 0 0 "[ . 1 . 2]" 1
1873 1 74 ILE H 1 81 ALA H . . 5.210 2.771 2.658 3.024 . 0 0 "[ . 1 . 2]" 1
1874 1 74 ILE H 1 81 ALA MB . . 5.300 4.074 4.002 4.231 . 0 0 "[ . 1 . 2]" 1
1875 1 74 ILE H 1 82 PHE HB2 . . 5.800 5.846 5.802 5.909 0.109 15 0 "[ . 1 . 2]" 1
1876 1 74 ILE H 1 82 PHE HB3 . . 5.700 5.388 5.323 5.452 . 0 0 "[ . 1 . 2]" 1
1877 1 74 ILE H 1 82 PHE QD . . 5.130 4.005 3.830 4.103 . 0 0 "[ . 1 . 2]" 1
1878 1 74 ILE H 1 83 VAL QG . . 4.720 4.697 4.571 4.755 0.035 3 0 "[ . 1 . 2]" 1
1879 1 74 ILE HA 1 75 TYR H . . 4.070 2.248 2.220 2.480 . 0 0 "[ . 1 . 2]" 1
1880 1 74 ILE HA 1 75 TYR HB2 . . 5.160 4.513 4.471 4.533 . 0 0 "[ . 1 . 2]" 1
1881 1 74 ILE HA 1 75 TYR QR . . 5.490 3.296 3.074 3.372 . 0 0 "[ . 1 . 2]" 1
1882 1 74 ILE HB 1 75 TYR H . . 5.290 4.409 4.153 4.436 . 0 0 "[ . 1 . 2]" 1
1883 1 74 ILE HB 1 82 PHE HA . . 5.030 3.855 3.474 3.954 . 0 0 "[ . 1 . 2]" 1
1884 1 74 ILE HB 1 83 VAL QG . . 3.850 3.201 2.919 3.359 . 0 0 "[ . 1 . 2]" 1
1885 1 74 ILE HG12 1 75 TYR H . . 5.290 3.607 3.530 3.657 . 0 0 "[ . 1 . 2]" 1
1886 1 74 ILE HG12 1 75 TYR HB2 . . 5.800 5.764 5.674 5.833 0.033 18 0 "[ . 1 . 2]" 1
1887 1 74 ILE HG13 1 75 TYR H . . 5.410 4.551 4.080 4.604 . 0 0 "[ . 1 . 2]" 1
1888 1 74 ILE MD 1 75 TYR H . . 5.530 1.892 1.546 1.953 . 0 0 "[ . 1 . 2]" 1
1889 1 74 ILE MD 1 74 ILE MG . . 3.850 2.035 2.024 2.066 . 0 0 "[ . 1 . 2]" 1
1890 1 74 ILE MG 1 75 TYR H . . 4.490 3.507 2.651 3.586 . 0 0 "[ . 1 . 2]" 1
1891 1 74 ILE MG 1 75 TYR HB2 . . 5.510 5.167 4.628 5.228 . 0 0 "[ . 1 . 2]" 1
1892 1 74 ILE MG 1 75 TYR HB3 . . 5.600 5.607 5.120 5.650 0.050 9 0 "[ . 1 . 2]" 1
1893 1 74 ILE MG 1 76 ILE HA . . 5.250 4.706 4.495 4.769 . 0 0 "[ . 1 . 2]" 1
1894 1 74 ILE MG 1 80 PRO HA . . 5.710 4.860 4.656 4.923 . 0 0 "[ . 1 . 2]" 1
1895 1 74 ILE MG 1 81 ALA H . . 4.840 3.423 3.213 3.505 . 0 0 "[ . 1 . 2]" 1
1896 1 74 ILE MG 1 82 PHE H . . 4.750 3.760 3.679 3.867 . 0 0 "[ . 1 . 2]" 1
1897 1 75 TYR H 1 75 TYR QD . . 4.430 2.400 2.313 2.837 . 0 0 "[ . 1 . 2]" 1
1898 1 75 TYR H 1 75 TYR QR . . 4.620 2.392 2.307 2.822 . 0 0 "[ . 1 . 2]" 1
1899 1 75 TYR H 1 76 ILE H . . 5.700 4.616 4.511 4.630 . 0 0 "[ . 1 . 2]" 1
1900 1 75 TYR H 1 76 ILE HG12 . . 5.800 5.272 4.881 5.450 . 0 0 "[ . 1 . 2]" 1
1901 1 75 TYR H 1 76 ILE HG13 . . 5.580 4.661 4.412 4.755 . 0 0 "[ . 1 . 2]" 1
1902 1 75 TYR H 1 80 PRO HA . . 5.580 4.623 4.518 5.059 . 0 0 "[ . 1 . 2]" 1
1903 1 75 TYR HA 1 76 ILE H . . 4.000 2.290 2.255 2.330 . 0 0 "[ . 1 . 2]" 1
1904 1 75 TYR HA 1 76 ILE HG12 . . 5.730 4.648 4.590 4.740 . 0 0 "[ . 1 . 2]" 1
1905 1 75 TYR HA 1 77 ALA H . . 5.700 4.042 3.984 4.116 . 0 0 "[ . 1 . 2]" 1
1906 1 75 TYR HA 1 78 GLY H . . 5.400 4.571 4.536 4.615 . 0 0 "[ . 1 . 2]" 1
1907 1 75 TYR HA 1 79 HIS H . . 4.960 4.170 4.113 4.205 . 0 0 "[ . 1 . 2]" 1
1908 1 75 TYR HA 1 80 PRO HA . . 4.730 2.686 2.589 2.918 . 0 0 "[ . 1 . 2]" 1
1909 1 75 TYR HA 1 80 PRO QB . . 5.640 4.491 4.399 4.722 . 0 0 "[ . 1 . 2]" 1
1910 1 75 TYR HA 1 81 ALA H . . 4.660 3.335 3.283 3.381 . 0 0 "[ . 1 . 2]" 1
1911 1 75 TYR HB2 1 76 ILE H . . 5.140 3.948 3.870 4.029 . 0 0 "[ . 1 . 2]" 1
1912 1 75 TYR HB2 1 76 ILE HA . . 5.800 4.924 4.859 4.991 . 0 0 "[ . 1 . 2]" 1
1913 1 75 TYR HB2 1 78 GLY HA2 . . 5.800 5.095 5.015 5.171 . 0 0 "[ . 1 . 2]" 1
1914 1 75 TYR HB2 1 79 HIS H . . 5.750 5.528 5.435 5.608 . 0 0 "[ . 1 . 2]" 1
1915 1 75 TYR HB2 1 80 PRO HA . . 5.560 5.060 4.982 5.250 . 0 0 "[ . 1 . 2]" 1
1916 1 75 TYR HB3 1 76 ILE H . . 4.610 2.709 2.607 2.806 . 0 0 "[ . 1 . 2]" 1
1917 1 75 TYR HB3 1 76 ILE HA . . 5.260 4.435 4.417 4.470 . 0 0 "[ . 1 . 2]" 1
1918 1 75 TYR HB3 1 76 ILE HB . . 5.800 5.393 5.318 5.454 . 0 0 "[ . 1 . 2]" 1
1919 1 75 TYR HB3 1 77 ALA H . . 5.770 3.935 3.876 4.012 . 0 0 "[ . 1 . 2]" 1
1920 1 75 TYR HB3 1 78 GLY H . . 4.950 3.035 2.952 3.106 . 0 0 "[ . 1 . 2]" 1
1921 1 75 TYR HB3 1 78 GLY HA2 . . 5.490 3.642 3.567 3.706 . 0 0 "[ . 1 . 2]" 1
1922 1 75 TYR HB3 1 79 HIS H . . 5.070 3.793 3.694 3.878 . 0 0 "[ . 1 . 2]" 1
1923 1 75 TYR HB3 1 80 PRO HA . . 5.790 4.588 4.517 4.756 . 0 0 "[ . 1 . 2]" 1
1924 1 75 TYR HB3 1 81 ALA H . . 5.770 5.799 5.755 5.834 0.064 10 0 "[ . 1 . 2]" 1
1925 1 75 TYR HB3 1 81 ALA MB . . 5.800 5.686 5.504 5.772 . 0 0 "[ . 1 . 2]" 1
1926 1 75 TYR QD 1 76 ILE H . . 4.690 3.648 3.600 3.685 . 0 0 "[ . 1 . 2]" 1
1927 1 75 TYR QD 1 78 GLY H . . 4.690 3.564 3.545 3.578 . 0 0 "[ . 1 . 2]" 1
1928 1 75 TYR QD 1 78 GLY HA3 . . 4.990 4.423 4.410 4.441 . 0 0 "[ . 1 . 2]" 1
1929 1 75 TYR QD 1 79 HIS H . . 5.030 2.961 2.933 2.996 . 0 0 "[ . 1 . 2]" 1
1930 1 75 TYR QD 1 79 HIS HA . . 5.000 3.045 3.000 3.132 . 0 0 "[ . 1 . 2]" 1
1931 1 75 TYR QD 1 79 HIS HB3 . . 5.800 5.048 5.012 5.093 . 0 0 "[ . 1 . 2]" 1
1932 1 75 TYR QD 1 79 HIS HD2 . . 5.800 5.823 5.798 5.844 0.044 8 0 "[ . 1 . 2]" 1
1933 1 75 TYR QD 1 80 PRO QB . . 4.910 4.249 4.190 4.436 . 0 0 "[ . 1 . 2]" 1
1934 1 75 TYR QE 1 78 GLY HA3 . . 5.620 5.657 5.640 5.680 0.060 8 0 "[ . 1 . 2]" 1
1935 1 75 TYR QE 1 79 HIS H . . 5.030 4.704 4.666 4.752 . 0 0 "[ . 1 . 2]" 1
1936 1 75 TYR QE 1 79 HIS HA . . 4.380 2.889 2.792 3.051 . 0 0 "[ . 1 . 2]" 1
1937 1 75 TYR QR 1 76 ILE H . . 4.950 3.610 3.564 3.646 . 0 0 "[ . 1 . 2]" 1
1938 1 75 TYR QR 1 76 ILE HB . . 5.800 5.874 5.849 5.901 0.101 3 0 "[ . 1 . 2]" 1
1939 1 75 TYR QR 1 76 ILE HG13 . . 5.790 5.471 5.419 5.526 . 0 0 "[ . 1 . 2]" 1
1940 1 75 TYR QR 1 78 GLY H . . 5.200 3.531 3.512 3.545 . 0 0 "[ . 1 . 2]" 1
1941 1 75 TYR QR 1 78 GLY HA2 . . 5.340 3.146 3.117 3.172 . 0 0 "[ . 1 . 2]" 1
1942 1 75 TYR QR 1 78 GLY HA3 . . 5.360 4.274 4.264 4.291 . 0 0 "[ . 1 . 2]" 1
1943 1 75 TYR QR 1 79 HIS H . . 4.800 2.932 2.906 2.964 . 0 0 "[ . 1 . 2]" 1
1944 1 75 TYR QR 1 79 HIS HA . . 4.640 2.637 2.576 2.752 . 0 0 "[ . 1 . 2]" 1
1945 1 75 TYR QR 1 79 HIS HB2 . . 5.510 4.585 4.565 4.612 . 0 0 "[ . 1 . 2]" 1
1946 1 75 TYR QR 1 79 HIS HB3 . . 5.510 4.548 4.507 4.634 . 0 0 "[ . 1 . 2]" 1
1947 1 75 TYR QR 1 80 PRO HA . . 4.800 3.307 3.276 3.340 . 0 0 "[ . 1 . 2]" 1
1948 1 75 TYR QR 1 80 PRO HD2 . . 5.140 3.873 3.793 4.058 . 0 0 "[ . 1 . 2]" 1
1949 1 75 TYR QR 1 80 PRO HD3 . . 4.730 2.477 2.386 2.718 . 0 0 "[ . 1 . 2]" 1
1950 1 75 TYR QR 1 80 PRO HG3 . . 5.120 4.270 4.196 4.497 . 0 0 "[ . 1 . 2]" 1
1951 1 75 TYR QR 1 80 PRO QB . . 4.780 3.357 3.301 3.479 . 0 0 "[ . 1 . 2]" 1
1952 1 75 TYR QR 1 81 ALA H . . 5.240 4.635 4.571 4.671 . 0 0 "[ . 1 . 2]" 1
1953 1 75 TYR QR 1 81 ALA MB . . 5.490 5.197 5.055 5.243 . 0 0 "[ . 1 . 2]" 1
1954 1 76 ILE H 1 76 ILE HG12 . . 5.140 3.977 3.943 4.037 . 0 0 "[ . 1 . 2]" 1
1955 1 76 ILE H 1 76 ILE HG13 . . 5.070 2.958 2.928 3.016 . 0 0 "[ . 1 . 2]" 1
1956 1 76 ILE H 1 76 ILE MD . . 5.250 4.205 4.161 4.244 . 0 0 "[ . 1 . 2]" 1
1957 1 76 ILE H 1 77 ALA H . . 5.080 1.870 1.829 1.915 . 0 0 "[ . 1 . 2]" 1
1958 1 76 ILE H 1 78 GLY H . . 5.130 2.990 2.932 3.043 . 0 0 "[ . 1 . 2]" 1
1959 1 76 ILE H 1 78 GLY HA2 . . 5.800 4.817 4.741 4.873 . 0 0 "[ . 1 . 2]" 1
1960 1 76 ILE H 1 79 HIS H . . 4.320 3.024 2.950 3.080 . 0 0 "[ . 1 . 2]" 1
1961 1 76 ILE H 1 79 HIS HB2 . . 5.610 4.738 4.666 4.795 . 0 0 "[ . 1 . 2]" 1
1962 1 76 ILE H 1 79 HIS HB3 . . 5.800 5.820 5.785 5.849 0.049 5 0 "[ . 1 . 2]" 1
1963 1 76 ILE H 1 81 ALA H . . 5.430 4.967 4.875 5.127 . 0 0 "[ . 1 . 2]" 1
1964 1 76 ILE HA 1 77 ALA MB . . 5.570 4.638 4.623 4.658 . 0 0 "[ . 1 . 2]" 1
1965 1 76 ILE HA 1 78 GLY H . . 5.320 4.485 4.452 4.534 . 0 0 "[ . 1 . 2]" 1
1966 1 76 ILE HB 1 77 ALA H . . 4.980 2.641 2.549 2.702 . 0 0 "[ . 1 . 2]" 1
1967 1 76 ILE HB 1 78 GLY H . . 5.110 4.883 4.838 4.927 . 0 0 "[ . 1 . 2]" 1
1968 1 76 ILE HB 1 79 HIS H . . 5.210 4.669 4.561 4.739 . 0 0 "[ . 1 . 2]" 1
1969 1 76 ILE HB 1 81 ALA MB . . 4.790 3.296 3.120 3.518 . 0 0 "[ . 1 . 2]" 1
1970 1 76 ILE HG12 1 77 ALA H . . 5.400 4.956 4.930 4.985 . 0 0 "[ . 1 . 2]" 1
1971 1 76 ILE HG12 1 81 ALA H . . 5.800 5.849 5.818 5.944 0.144 18 0 "[ . 1 . 2]" 1
1972 1 76 ILE HG12 1 81 ALA MB . . 4.650 3.605 3.435 3.695 . 0 0 "[ . 1 . 2]" 1
1973 1 76 ILE HG13 1 77 ALA H . . 5.240 4.176 4.103 4.250 . 0 0 "[ . 1 . 2]" 1
1974 1 76 ILE HG13 1 78 GLY H . . 5.800 5.858 5.796 5.879 0.079 19 0 "[ . 1 . 2]" 1
1975 1 76 ILE HG13 1 79 HIS H . . 5.800 5.710 5.555 5.806 0.006 19 0 "[ . 1 . 2]" 1
1976 1 76 ILE HG13 1 81 ALA H . . 5.560 4.221 4.169 4.347 . 0 0 "[ . 1 . 2]" 1
1977 1 76 ILE HG13 1 81 ALA HA . . 5.640 5.315 5.159 5.392 . 0 0 "[ . 1 . 2]" 1
1978 1 76 ILE MD 1 77 ALA H . . 5.020 4.628 4.497 4.684 . 0 0 "[ . 1 . 2]" 1
1979 1 76 ILE MD 1 81 ALA H . . 5.370 4.591 4.505 4.709 . 0 0 "[ . 1 . 2]" 1
1980 1 76 ILE MD 1 81 ALA HA . . 5.280 4.445 4.298 4.529 . 0 0 "[ . 1 . 2]" 1
1981 1 76 ILE MD 1 81 ALA MB . . 3.740 2.041 1.983 2.089 . 0 0 "[ . 1 . 2]" 1
1982 1 76 ILE MD 1 82 PHE H . . 5.360 3.826 3.695 3.984 . 0 0 "[ . 1 . 2]" 1
1983 1 76 ILE MG 1 77 ALA H . . 4.210 3.539 3.435 3.634 . 0 0 "[ . 1 . 2]" 1
1984 1 76 ILE MG 1 77 ALA HA . . 4.720 3.928 3.870 3.991 . 0 0 "[ . 1 . 2]" 1
1985 1 76 ILE MG 1 77 ALA MB . . 4.280 2.951 2.844 3.039 . 0 0 "[ . 1 . 2]" 1
1986 1 76 ILE MG 1 78 GLY H . . 5.340 5.063 5.015 5.117 . 0 0 "[ . 1 . 2]" 1
1987 1 77 ALA H 1 78 GLY H . . 4.320 2.409 2.374 2.459 . 0 0 "[ . 1 . 2]" 1
1988 1 77 ALA H 1 78 GLY HA2 . . 5.590 4.524 4.492 4.571 . 0 0 "[ . 1 . 2]" 1
1989 1 77 ALA H 1 78 GLY HA3 . . 5.600 4.733 4.706 4.755 . 0 0 "[ . 1 . 2]" 1
1990 1 77 ALA H 1 79 HIS H . . 5.180 2.373 2.343 2.399 . 0 0 "[ . 1 . 2]" 1
1991 1 77 ALA HA 1 78 GLY H . . 4.530 2.931 2.897 2.952 . 0 0 "[ . 1 . 2]" 1
1992 1 77 ALA HA 1 78 GLY HA2 . . 5.560 4.803 4.774 4.832 . 0 0 "[ . 1 . 2]" 1
1993 1 77 ALA HA 1 79 HIS H . . 5.630 4.274 4.243 4.311 . 0 0 "[ . 1 . 2]" 1
1994 1 77 ALA MB 1 78 GLY H . . 4.540 3.675 3.667 3.686 . 0 0 "[ . 1 . 2]" 1
1995 1 77 ALA MB 1 78 GLY HA2 . . 5.560 5.092 5.081 5.099 . 0 0 "[ . 1 . 2]" 1
1996 1 77 ALA MB 1 78 GLY HA3 . . 5.530 4.436 4.426 4.444 . 0 0 "[ . 1 . 2]" 1
1997 1 77 ALA MB 1 79 HIS H . . 5.120 3.389 3.301 3.477 . 0 0 "[ . 1 . 2]" 1
1998 1 77 ALA MB 1 79 HIS HB2 . . 5.740 3.537 3.394 3.669 . 0 0 "[ . 1 . 2]" 1
1999 1 77 ALA MB 1 79 HIS HD2 . . 5.270 3.153 2.993 3.272 . 0 0 "[ . 1 . 2]" 1
2000 1 78 GLY H 1 79 HIS H . . 4.330 2.439 2.406 2.467 . 0 0 "[ . 1 . 2]" 1
2001 1 78 GLY H 1 79 HIS HA . . 5.580 5.030 5.000 5.058 . 0 0 "[ . 1 . 2]" 1
2002 1 78 GLY H 1 79 HIS HB2 . . 5.790 4.945 4.895 4.978 . 0 0 "[ . 1 . 2]" 1
2003 1 78 GLY H 1 79 HIS HD2 . . 5.360 4.810 4.742 4.853 . 0 0 "[ . 1 . 2]" 1
2004 1 78 GLY HA2 1 79 HIS H . . 4.610 3.264 3.245 3.283 . 0 0 "[ . 1 . 2]" 1
2005 1 78 GLY HA2 1 79 HIS HA . . 5.800 4.536 4.531 4.548 . 0 0 "[ . 1 . 2]" 1
2006 1 78 GLY HA2 1 79 HIS HD2 . . 5.720 5.071 5.004 5.150 . 0 0 "[ . 1 . 2]" 1
2007 1 78 GLY HA3 1 79 HIS H . . 4.690 3.352 3.335 3.376 . 0 0 "[ . 1 . 2]" 1
2008 1 78 GLY HA3 1 79 HIS HA . . 5.800 4.665 4.653 4.675 . 0 0 "[ . 1 . 2]" 1
2009 1 78 GLY HA3 1 79 HIS HD2 . . 4.590 3.843 3.767 3.950 . 0 0 "[ . 1 . 2]" 1
2010 1 79 HIS H 1 79 HIS HB2 . . 4.160 2.612 2.588 2.630 . 0 0 "[ . 1 . 2]" 1
2011 1 79 HIS H 1 79 HIS HD2 . . 4.960 3.292 3.261 3.325 . 0 0 "[ . 1 . 2]" 1
2012 1 79 HIS H 1 80 PRO HD2 . . 5.560 4.844 4.831 4.860 . 0 0 "[ . 1 . 2]" 1
2013 1 79 HIS H 1 80 PRO HD3 . . 5.640 4.943 4.917 4.983 . 0 0 "[ . 1 . 2]" 1
2014 1 79 HIS H 1 81 ALA MB . . 5.550 5.323 5.237 5.392 . 0 0 "[ . 1 . 2]" 1
2015 1 79 HIS HA 1 79 HIS HD2 . . 4.890 4.205 4.169 4.223 . 0 0 "[ . 1 . 2]" 1
2016 1 79 HIS HA 1 79 HIS HE1 . . 5.650 5.031 5.010 5.066 . 0 0 "[ . 1 . 2]" 1
2017 1 79 HIS HA 1 80 PRO HA . . 5.390 4.358 4.333 4.371 . 0 0 "[ . 1 . 2]" 1
2018 1 79 HIS HA 1 80 PRO HD2 . . 4.380 2.457 2.420 2.488 . 0 0 "[ . 1 . 2]" 1
2019 1 79 HIS HA 1 80 PRO HD3 . . 4.350 2.331 2.300 2.355 . 0 0 "[ . 1 . 2]" 1
2020 1 79 HIS HA 1 80 PRO HG2 . . 5.420 4.593 4.567 4.616 . 0 0 "[ . 1 . 2]" 1
2021 1 79 HIS HA 1 80 PRO HG3 . . 5.420 4.561 4.537 4.585 . 0 0 "[ . 1 . 2]" 1
2022 1 79 HIS HA 1 80 PRO QB . . 5.420 4.508 4.486 4.532 . 0 0 "[ . 1 . 2]" 1
2023 1 79 HIS HB2 1 80 PRO HD2 . . 4.820 3.699 3.663 3.740 . 0 0 "[ . 1 . 2]" 1
2024 1 79 HIS HB2 1 80 PRO HD3 . . 5.430 4.735 4.710 4.762 . 0 0 "[ . 1 . 2]" 1
2025 1 79 HIS HB2 1 80 PRO HG2 . . 5.750 5.405 5.363 5.457 . 0 0 "[ . 1 . 2]" 1
2026 1 79 HIS HB3 1 80 PRO HD2 . . 4.710 2.135 2.093 2.186 . 0 0 "[ . 1 . 2]" 1
2027 1 79 HIS HB3 1 80 PRO HD3 . . 4.840 3.550 3.513 3.598 . 0 0 "[ . 1 . 2]" 1
2028 1 79 HIS HB3 1 80 PRO HG2 . . 5.230 3.974 3.934 4.024 . 0 0 "[ . 1 . 2]" 1
2029 1 79 HIS HB3 1 80 PRO HG3 . . 5.450 4.813 4.768 4.862 . 0 0 "[ . 1 . 2]" 1
2030 1 79 HIS HB3 1 80 PRO QB . . 5.470 5.002 4.977 5.027 . 0 0 "[ . 1 . 2]" 1
2031 1 79 HIS HB3 1 81 ALA MB . . 5.800 5.263 5.223 5.307 . 0 0 "[ . 1 . 2]" 1
2032 1 79 HIS HD2 1 80 PRO HD2 . . 5.790 5.657 5.625 5.687 . 0 0 "[ . 1 . 2]" 1
2033 1 79 HIS HE1 1 80 PRO HD2 . . 5.700 5.704 5.683 5.737 0.037 15 0 "[ . 1 . 2]" 1
2034 1 80 PRO HA 1 81 ALA H . . 3.870 2.190 2.174 2.203 . 0 0 "[ . 1 . 2]" 1
2035 1 80 PRO HA 1 81 ALA HA . . 5.680 4.512 4.501 4.524 . 0 0 "[ . 1 . 2]" 1
2036 1 80 PRO HA 1 81 ALA MB . . 5.220 3.886 3.858 3.903 . 0 0 "[ . 1 . 2]" 1
2037 1 80 PRO HD2 1 81 ALA H . . 5.800 5.628 5.614 5.637 . 0 0 "[ . 1 . 2]" 1
2038 1 80 PRO QB 1 81 ALA H . . 4.860 3.023 2.983 3.066 . 0 0 "[ . 1 . 2]" 1
2039 1 80 PRO QB 1 81 ALA MB . . 5.630 4.536 4.516 4.558 . 0 0 "[ . 1 . 2]" 1
2040 1 80 PRO QB 1 82 PHE HZ . . 5.800 4.480 4.385 4.560 . 0 0 "[ . 1 . 2]" 1
2041 1 80 PRO QB 1 82 PHE QE . . 5.790 4.452 4.364 4.540 . 0 0 "[ . 1 . 2]" 1
2042 1 81 ALA H 1 82 PHE H . . 5.240 4.349 4.330 4.358 . 0 0 "[ . 1 . 2]" 1
2043 1 81 ALA HA 1 82 PHE H . . 4.120 2.689 2.659 2.731 . 0 0 "[ . 1 . 2]" 1
2044 1 81 ALA HA 1 82 PHE HB2 . . 5.580 4.600 4.557 4.626 . 0 0 "[ . 1 . 2]" 1
2045 1 81 ALA HA 1 82 PHE QD . . 5.290 3.467 3.363 3.575 . 0 0 "[ . 1 . 2]" 1
2046 1 81 ALA MB 1 82 PHE H . . 4.010 2.111 2.082 2.137 . 0 0 "[ . 1 . 2]" 1
2047 1 81 ALA MB 1 82 PHE HA . . 5.300 4.006 3.987 4.029 . 0 0 "[ . 1 . 2]" 1
2048 1 81 ALA MB 1 82 PHE HB2 . . 5.300 4.560 4.523 4.594 . 0 0 "[ . 1 . 2]" 1
2049 1 81 ALA MB 1 82 PHE HB3 . . 5.650 5.387 5.373 5.404 . 0 0 "[ . 1 . 2]" 1
2050 1 81 ALA MB 1 82 PHE QD . . 5.490 4.344 4.294 4.404 . 0 0 "[ . 1 . 2]" 1
2051 1 82 PHE H 1 82 PHE HB2 . . 4.340 2.772 2.751 2.800 . 0 0 "[ . 1 . 2]" 1
2052 1 82 PHE H 1 82 PHE QD . . 5.120 3.238 3.178 3.289 . 0 0 "[ . 1 . 2]" 1
2053 1 82 PHE H 1 83 VAL H . . 5.380 4.459 4.448 4.467 . 0 0 "[ . 1 . 2]" 1
2054 1 82 PHE HA 1 82 PHE QD . . 4.420 2.739 2.689 2.789 . 0 0 "[ . 1 . 2]" 1
2055 1 82 PHE HA 1 82 PHE QE . . 5.300 4.630 4.609 4.649 . 0 0 "[ . 1 . 2]" 1
2056 1 82 PHE HA 1 83 VAL H . . 4.020 2.344 2.329 2.358 . 0 0 "[ . 1 . 2]" 1
2057 1 82 PHE HA 1 83 VAL QG . . 4.790 3.311 3.264 3.359 . 0 0 "[ . 1 . 2]" 1
2058 1 82 PHE HB2 1 83 VAL H . . 4.950 3.679 3.638 3.727 . 0 0 "[ . 1 . 2]" 1
2059 1 82 PHE HB2 1 83 VAL QG . . 5.680 5.007 4.988 5.038 . 0 0 "[ . 1 . 2]" 1
2060 1 82 PHE HB3 1 83 VAL H . . 4.750 2.533 2.476 2.579 . 0 0 "[ . 1 . 2]" 1
2061 1 82 PHE HB3 1 83 VAL MG1 . . 5.800 4.502 4.452 4.565 . 0 0 "[ . 1 . 2]" 1
2062 1 82 PHE HB3 1 83 VAL MG2 . . 5.800 5.753 5.728 5.783 . 0 0 "[ . 1 . 2]" 1
2063 1 82 PHE HB3 1 83 VAL QG . . 5.240 4.349 4.308 4.401 . 0 0 "[ . 1 . 2]" 1
2064 1 82 PHE QD 1 83 VAL H . . 4.810 3.749 3.705 3.793 . 0 0 "[ . 1 . 2]" 1
2065 1 82 PHE QD 1 83 VAL QG . . 5.320 4.811 4.759 4.868 . 0 0 "[ . 1 . 2]" 1
2066 1 83 VAL H 1 83 VAL QG . . 4.190 2.358 2.327 2.395 . 0 0 "[ . 1 . 2]" 1
2067 1 83 VAL HA 1 84 ASN H . . 4.540 2.217 2.193 2.245 . 0 0 "[ . 1 . 2]" 1
2068 1 83 VAL HA 1 84 ASN QB . . 5.360 4.208 3.897 4.421 . 0 0 "[ . 1 . 2]" 1
2069 1 83 VAL HB 1 84 ASN H . . 5.210 4.029 3.978 4.066 . 0 0 "[ . 1 . 2]" 1
2070 1 83 VAL MG1 1 84 ASN H . . 5.280 3.979 3.893 4.036 . 0 0 "[ . 1 . 2]" 1
2071 1 83 VAL MG2 1 84 ASN H . . 5.280 2.373 2.306 2.445 . 0 0 "[ . 1 . 2]" 1
2072 1 83 VAL QG 1 84 ASN H . . 4.380 2.356 2.291 2.424 . 0 0 "[ . 1 . 2]" 1
2073 1 83 VAL QG 1 84 ASN QB . . 5.190 3.954 3.852 4.043 . 0 0 "[ . 1 . 2]" 1
2074 1 84 ASN HA 1 85 TYR H . . 4.210 2.406 2.322 2.477 . 0 0 "[ . 1 . 2]" 1
2075 1 84 ASN HB2 1 85 TYR H . . 5.370 3.154 2.454 4.072 . 0 0 "[ . 1 . 2]" 1
2076 1 84 ASN HB2 1 85 TYR QD . . 5.800 4.655 3.731 5.587 . 0 0 "[ . 1 . 2]" 1
2077 1 84 ASN HB3 1 85 TYR H . . 5.370 3.849 3.697 4.030 . 0 0 "[ . 1 . 2]" 1
2078 1 84 ASN HB3 1 85 TYR QD . . 5.800 5.429 5.214 5.704 . 0 0 "[ . 1 . 2]" 1
2079 1 85 TYR H 1 85 TYR QD . . 4.480 2.322 1.845 2.741 . 0 0 "[ . 1 . 2]" 1
2080 1 85 TYR H 1 85 TYR QE . . 5.220 3.973 3.653 4.254 . 0 0 "[ . 1 . 2]" 1
2081 1 85 TYR H 1 86 SER H . . 5.410 4.623 4.476 4.718 . 0 0 "[ . 1 . 2]" 1
2082 1 85 TYR HA 1 86 SER H . . 4.290 2.340 2.105 2.477 . 0 0 "[ . 1 . 2]" 1
2083 1 85 TYR HB2 1 86 SER H . . 4.890 3.370 3.097 3.508 . 0 0 "[ . 1 . 2]" 1
2084 1 85 TYR HB2 1 86 SER QB . . 5.800 5.138 4.926 5.465 . 0 0 "[ . 1 . 2]" 1
2085 1 85 TYR HB3 1 86 SER H . . 4.740 2.871 2.287 3.996 . 0 0 "[ . 1 . 2]" 1
2086 1 85 TYR QD 1 86 SER H . . 5.290 4.199 3.756 4.639 . 0 0 "[ . 1 . 2]" 1
2087 1 86 SER H 1 88 SER H . . 5.700 3.862 2.810 4.494 . 0 0 "[ . 1 . 2]" 1
2088 1 86 SER H 1 88 SER QB . . 5.000 4.436 3.425 5.110 0.110 5 0 "[ . 1 . 2]" 1
2089 1 86 SER QB 1 88 SER QB . . 5.740 3.771 2.526 5.583 . 0 0 "[ . 1 . 2]" 1
2090 1 88 SER HA 1 89 GLN HG2 . . 5.370 3.979 3.832 5.142 . 0 0 "[ . 1 . 2]" 1
2091 1 88 SER HA 1 89 GLN QB . . 5.430 4.280 4.135 4.857 . 0 0 "[ . 1 . 2]" 1
2092 1 88 SER HA 1 90 LYS H . . 4.970 3.711 3.579 3.888 . 0 0 "[ . 1 . 2]" 1
2093 1 88 SER QB 1 89 GLN H . . 5.270 3.064 2.629 3.500 . 0 0 "[ . 1 . 2]" 1
2094 1 88 SER QB 1 89 GLN QB . . 5.740 4.920 4.691 5.141 . 0 0 "[ . 1 . 2]" 1
2095 1 88 SER QB 1 90 LYS H . . 4.850 3.469 2.675 4.436 . 0 0 "[ . 1 . 2]" 1
2096 1 89 GLN H 1 89 GLN HG3 . . 5.510 3.522 3.254 4.602 . 0 0 "[ . 1 . 2]" 1
2097 1 89 GLN H 1 90 LYS H . . 4.690 1.861 1.648 3.256 . 0 0 "[ . 1 . 2]" 1
2098 1 89 GLN HG2 1 90 LYS H . . 5.450 3.241 2.695 3.578 . 0 0 "[ . 1 . 2]" 1
2099 1 89 GLN HG2 1 90 LYS HG2 . . 5.800 5.820 4.396 5.928 0.128 6 0 "[ . 1 . 2]" 1
2100 1 89 GLN HG2 1 90 LYS QB . . 5.740 3.409 2.128 3.676 . 0 0 "[ . 1 . 2]" 1
2101 1 89 GLN HG3 1 90 LYS H . . 5.350 3.506 3.275 4.200 . 0 0 "[ . 1 . 2]" 1
2102 1 89 GLN HG3 1 90 LYS HG3 . . 5.800 5.449 4.601 6.103 0.303 17 0 "[ . 1 . 2]" 1
2103 1 89 GLN QB 1 90 LYS H . . 4.950 3.885 3.690 3.985 . 0 0 "[ . 1 . 2]" 1
2104 1 89 GLN QB 1 90 LYS QB . . 5.720 4.059 3.675 4.198 . 0 0 "[ . 1 . 2]" 1
2105 1 90 LYS H 1 90 LYS HG2 . . 5.720 5.027 4.516 5.110 . 0 0 "[ . 1 . 2]" 1
2106 1 90 LYS H 1 90 LYS HG3 . . 5.380 4.428 4.279 5.125 . 0 0 "[ . 1 . 2]" 1
2107 1 90 LYS H 1 90 LYS QD . . 5.720 4.679 4.515 4.713 . 0 0 "[ . 1 . 2]" 1
2108 1 90 LYS H 1 91 ILE H . . 5.240 4.150 4.087 4.204 . 0 0 "[ . 1 . 2]" 1
2109 1 90 LYS HA 1 90 LYS QD . . 4.700 2.317 2.232 2.433 . 0 0 "[ . 1 . 2]" 1
2110 1 90 LYS HA 1 90 LYS QE . . 5.270 2.586 2.402 4.178 . 0 0 "[ . 1 . 2]" 1
2111 1 90 LYS HA 1 91 ILE H . . 4.070 2.208 2.187 2.241 . 0 0 "[ . 1 . 2]" 1
2112 1 90 LYS HB2 1 90 LYS QE . . 5.080 2.174 2.006 4.500 . 0 0 "[ . 1 . 2]" 1
2113 1 90 LYS HB3 1 90 LYS QE . . 5.080 3.470 3.404 4.051 . 0 0 "[ . 1 . 2]" 1
2114 1 90 LYS HG3 1 91 ILE H . . 5.000 3.346 3.106 4.666 . 0 0 "[ . 1 . 2]" 1
2115 1 90 LYS HG3 1 94 PRO QD . . 5.460 4.408 3.429 5.552 0.092 18 0 "[ . 1 . 2]" 1
2116 1 90 LYS QB 1 91 ILE H . . 4.780 3.769 3.508 3.841 . 0 0 "[ . 1 . 2]" 1
2117 1 90 LYS QD 1 91 ILE H . . 4.550 2.038 1.886 2.177 . 0 0 "[ . 1 . 2]" 1
2118 1 90 LYS QD 1 91 ILE MD . . 5.340 4.926 3.877 5.312 . 0 0 "[ . 1 . 2]" 1
2119 1 90 LYS QD 1 93 ARG H . . 4.980 5.061 4.992 5.114 0.134 12 0 "[ . 1 . 2]" 1
2120 1 90 LYS QD 1 94 PRO HB3 . . 5.450 4.475 3.918 5.287 . 0 0 "[ . 1 . 2]" 1
2121 1 90 LYS QD 1 94 PRO QD . . 4.470 3.395 2.187 3.969 . 0 0 "[ . 1 . 2]" 1
2122 1 90 LYS QD 1 94 PRO QG . . 4.920 2.914 2.275 3.865 . 0 0 "[ . 1 . 2]" 1
2123 1 90 LYS QE 1 91 ILE H . . 5.460 3.810 3.545 3.984 . 0 0 "[ . 1 . 2]" 1
2124 1 91 ILE H 1 94 PRO QG . . 4.970 4.234 2.969 4.945 . 0 0 "[ . 1 . 2]" 1
2125 1 91 ILE MD 1 94 PRO HB3 . . 4.930 4.293 3.099 4.986 0.056 17 0 "[ . 1 . 2]" 1
2126 1 91 ILE MD 1 94 PRO QG . . 5.510 5.184 3.998 5.536 0.026 19 0 "[ . 1 . 2]" 1
2127 1 94 PRO HA 1 96 ASP H . . 5.800 4.584 3.226 6.010 0.210 15 0 "[ . 1 . 2]" 1
2128 1 94 PRO HB2 1 95 GLY QA . . 5.220 4.303 3.631 4.749 . 0 0 "[ . 1 . 2]" 1
2129 1 94 PRO HB2 1 96 ASP H . . 5.800 5.142 3.257 5.990 0.190 10 0 "[ . 1 . 2]" 1
2130 1 94 PRO HB3 1 95 GLY QA . . 5.740 5.351 4.975 5.602 . 0 0 "[ . 1 . 2]" 1
2131 1 94 PRO QD 1 95 GLY H . . 4.770 3.512 2.549 4.944 0.174 1 0 "[ . 1 . 2]" 1
2132 1 94 PRO QD 1 95 GLY QA . . 5.360 4.719 4.032 5.426 0.066 5 0 "[ . 1 . 2]" 1
2133 1 95 GLY QA 1 96 ASP H . . 4.550 2.752 2.081 3.003 . 0 0 "[ . 1 . 2]" 1
2134 1 95 GLY QA 1 96 ASP HA . . 5.560 4.113 4.023 4.581 . 0 0 "[ . 1 . 2]" 1
2135 1 95 GLY QA 1 96 ASP QB . . 5.340 4.016 3.573 4.668 . 0 0 "[ . 1 . 2]" 1
2136 1 96 ASP H 1 97 SER H . . 5.640 3.990 1.735 4.656 . 0 0 "[ . 1 . 2]" 1
2137 1 96 ASP HA 1 97 SER H . . 4.500 2.610 2.251 3.561 . 0 0 "[ . 1 . 2]" 1
2138 1 96 ASP QB 1 97 SER HA . . 5.710 4.515 4.297 4.931 . 0 0 "[ . 1 . 2]" 1
2139 1 96 ASP QB 1 97 SER QB . . 5.740 4.821 3.824 5.382 . 0 0 "[ . 1 . 2]" 1
2140 1 97 SER HA 1 98 ASP QB . . 5.160 4.115 3.777 4.884 . 0 0 "[ . 1 . 2]" 1
2141 1 97 SER QB 1 98 ASP QB . . 5.360 4.470 3.673 4.867 . 0 0 "[ . 1 . 2]" 1
2142 1 98 ASP HA 1 99 ASP H . . 4.150 2.675 2.265 3.464 . 0 0 "[ . 1 . 2]" 1
2143 1 99 ASP HA 1 100 SER H . . 4.510 2.569 2.213 3.410 . 0 0 "[ . 1 . 2]" 1
2144 1 99 ASP QB 1 100 SER HA . . 5.380 4.517 4.310 5.280 . 0 0 "[ . 1 . 2]" 1
2145 1 99 ASP QB 1 100 SER QB . . 5.740 4.904 4.196 5.396 . 0 0 "[ . 1 . 2]" 1
2146 1 100 SER QB 1 101 ARG QB . . 5.370 4.478 3.400 5.406 0.036 7 0 "[ . 1 . 2]" 1
2147 1 100 SER QB 1 101 ARG QG . . 5.740 5.263 3.752 5.859 0.119 2 0 "[ . 1 . 2]" 1
2148 1 101 ARG HA 1 102 SER QB . . 5.190 4.455 3.796 4.640 . 0 0 "[ . 1 . 2]" 1
2149 1 101 ARG HB2 1 103 VAL MG1 . . 5.800 5.120 3.889 5.878 0.078 14 0 "[ . 1 . 2]" 1
2150 1 101 ARG HB2 1 103 VAL MG2 . . 5.800 4.201 2.714 5.894 0.094 9 0 "[ . 1 . 2]" 1
2151 1 101 ARG HB3 1 103 VAL MG1 . . 5.800 4.706 3.180 5.836 0.036 20 0 "[ . 1 . 2]" 1
2152 1 101 ARG HB3 1 103 VAL MG2 . . 5.800 3.581 2.263 5.926 0.126 15 0 "[ . 1 . 2]" 1
2153 1 101 ARG QB 1 102 SER HA . . 5.740 4.617 4.018 5.534 . 0 0 "[ . 1 . 2]" 1
2154 1 101 ARG QB 1 102 SER QB . . 5.730 4.724 3.849 5.387 . 0 0 "[ . 1 . 2]" 1
2155 1 101 ARG QB 1 103 VAL QG . . 5.160 2.946 2.224 3.968 . 0 0 "[ . 1 . 2]" 1
2156 1 101 ARG QD 1 102 SER QB . . 5.390 4.987 3.984 5.620 0.230 20 0 "[ . 1 . 2]" 1
2157 1 101 ARG QG 1 102 SER QB . . 5.280 4.322 3.466 5.377 0.097 19 0 "[ . 1 . 2]" 1
2158 1 101 ARG QG 1 103 VAL HB . . 5.740 5.035 4.456 5.754 0.014 6 0 "[ . 1 . 2]" 1
2159 1 102 SER QB 1 103 VAL H . . 5.610 3.506 3.001 3.968 . 0 0 "[ . 1 . 2]" 1
2160 1 102 SER QB 1 103 VAL QG . . 5.710 3.250 2.741 3.963 . 0 0 "[ . 1 . 2]" 1
2161 1 103 VAL H 1 105 SER H . . 5.800 5.099 4.105 5.939 0.139 9 0 "[ . 1 . 2]" 1
2162 1 103 VAL HB 1 104 ASN HB2 . . 5.760 4.764 3.628 5.865 0.105 14 0 "[ . 1 . 2]" 1
2163 1 103 VAL HB 1 104 ASN HB3 . . 5.760 4.957 4.385 5.824 0.064 13 0 "[ . 1 . 2]" 1
2164 1 103 VAL HB 1 104 ASN QB . . 5.380 4.243 3.477 4.849 . 0 0 "[ . 1 . 2]" 1
2165 1 103 VAL MG1 1 104 ASN HA . . 5.800 5.437 4.003 5.669 . 0 0 "[ . 1 . 2]" 1
2166 1 103 VAL MG2 1 104 ASN HA . . 5.800 4.396 3.688 5.660 . 0 0 "[ . 1 . 2]" 1
2167 1 103 VAL QG 1 104 ASN QB . . 5.230 4.076 2.910 4.622 . 0 0 "[ . 1 . 2]" 1
2168 1 103 VAL QG 1 105 SER H . . 5.490 3.788 2.127 4.877 . 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 28
_Distance_constraint_stats_list.Viol_count 556
_Distance_constraint_stats_list.Viol_total 5395.584
_Distance_constraint_stats_list.Viol_max 1.021
_Distance_constraint_stats_list.Viol_rms 0.2624
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4817
_Distance_constraint_stats_list.Viol_average_violations_only 0.4852
_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 16 VAL 35.110 0.784 8 20 [*******+******-*****]
1 17 HIS 26.434 0.710 15 20 [***********-**+*****]
1 18 ILE 41.509 0.976 3 20 [**+****-************]
1 19 ARG 26.539 0.586 11 20 [*******-**+*********]
1 29 ASP 28.211 0.801 18 20 [************-****+**]
1 30 LEU 27.148 0.888 9 20 [********+*******-***]
1 31 VAL 30.084 0.878 11 20 [**********+*-*******]
1 33 ALA 28.211 0.801 18 20 [************-****+**]
1 34 LEU 27.148 0.888 9 20 [********+*******-***]
1 35 GLN 30.084 0.878 11 20 [**********+*-*******]
1 42 TYR 12.816 0.613 7 15 "[*** -*+**1****.* **2]"
1 44 VAL 12.505 0.557 7 11 "[- *.*+* 1 * *. ****]"
1 46 MET 29.423 1.021 13 20 [***-********+*******]
1 51 GLN 29.423 1.021 13 20 [***-********+*******]
1 52 ALA 41.509 0.976 3 20 [**+****-************]
1 53 LEU 12.505 0.557 7 11 "[- *.*+* 1 * *. ****]"
1 54 VAL 35.110 0.784 8 20 [*******+******-*****]
1 55 GLU 12.816 0.613 7 15 "[*** -*+**1****.* **2]"
1 82 PHE 26.539 0.586 11 20 [*******-**+*********]
1 84 ASN 26.434 0.710 15 20 [***********-**+*****]
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 16 VAL H 1 54 VAL O . . 1.800 1.961 1.861 2.058 0.258 8 0 "[ . 1 . 2]" 2
2 1 17 HIS H 1 84 ASN O . . 1.800 1.833 1.778 1.918 0.118 15 0 "[ . 1 . 2]" 2
3 1 18 ILE H 1 52 ALA O . . 1.800 1.896 1.873 1.930 0.130 20 0 "[ . 1 . 2]" 2
4 1 19 ARG H 1 82 PHE O . . 1.800 1.935 1.877 1.981 0.181 16 0 "[ . 1 . 2]" 2
5 1 19 ARG O 1 82 PHE H . . 1.800 1.940 1.893 1.993 0.193 11 0 "[ . 1 . 2]" 2
6 1 17 HIS O 1 84 ASN H . . 1.800 2.063 1.977 2.149 0.349 15 0 "[ . 1 . 2]" 2
7 1 42 TYR O 1 55 GLU H . . 1.800 1.918 1.871 2.004 0.204 7 0 "[ . 1 . 2]" 2
8 1 16 VAL O 1 54 VAL H . . 1.800 2.144 2.029 2.229 0.429 8 0 "[ . 1 . 2]" 2
9 1 44 VAL O 1 53 LEU H . . 1.800 1.909 1.860 1.948 0.148 19 0 "[ . 1 . 2]" 2
10 1 18 ILE O 1 52 ALA H . . 1.800 2.374 2.194 2.433 0.633 2 16 "[*+*** *-*** ***** *]" 2
11 1 46 MET O 1 51 GLN H . . 1.800 2.339 2.137 2.428 0.628 13 15 "[ **-** **** +** ***2]" 2
12 1 29 ASP O 1 33 ALA H . . 1.800 2.464 2.440 2.485 0.685 19 20 [************-*****+*] 2
13 1 30 LEU O 1 34 LEU H . . 1.800 2.428 2.300 2.472 0.672 8 20 [*******+********-***] 2
14 1 31 VAL O 1 35 GLN H . . 1.800 2.459 2.438 2.482 0.682 10 20 [*********+**-*******] 2
15 1 16 VAL N 1 54 VAL O . . 2.400 2.947 2.859 3.030 0.630 8 15 "[*******+ 1 ***- ***]" 2
16 1 17 HIS N 1 84 ASN O . . 2.400 2.788 2.723 2.879 0.479 15 0 "[ . 1 . 2]" 2
17 1 18 ILE N 1 52 ALA O . . 2.400 2.890 2.861 2.931 0.531 20 3 "[ -. 1 . *+]" 2
18 1 19 ARG N 1 82 PHE O . . 2.400 2.921 2.870 2.954 0.554 16 14 "[***** *-** **+** 2]" 2
19 1 19 ARG O 1 82 PHE N . . 2.400 2.931 2.892 2.986 0.586 11 18 "[**********+** **- **]" 2
20 1 17 HIS O 1 84 ASN N . . 2.400 3.035 2.947 3.110 0.710 15 20 [***********-**+*****] 2
21 1 42 TYR O 1 55 GLU N . . 2.400 2.923 2.879 3.013 0.613 7 15 "[*** -*+**1****.* **2]" 2
22 1 16 VAL O 1 54 VAL N . . 2.400 3.103 2.999 3.184 0.784 8 20 [*******+*******-****] 2
23 1 44 VAL O 1 53 LEU N . . 2.400 2.916 2.869 2.957 0.557 7 11 "[- *.*+* 1 * *. ****]" 2
24 1 18 ILE O 1 52 ALA N . . 2.400 3.316 3.154 3.376 0.976 3 20 [**+********-********] 2
25 1 46 MET O 1 51 GLN N . . 2.400 3.332 3.136 3.421 1.021 13 20 [************+******-] 2
26 1 29 ASP O 1 33 ALA N . . 2.400 3.147 3.115 3.201 0.801 18 20 [****************-+**] 2
27 1 30 LEU O 1 34 LEU N . . 2.400 3.129 3.049 3.288 0.888 9 20 [********+**-********] 2
28 1 31 VAL O 1 35 GLN N . . 2.400 3.245 3.197 3.278 0.878 11 20 [**********+*-*******] 2
stop_
save_
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