NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561060 |
2lrc   |
18130 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lrc
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 1698
_Distance_constraint_stats_list.Viol_count 3793
_Distance_constraint_stats_list.Viol_total 5626.280
_Distance_constraint_stats_list.Viol_max 0.990
_Distance_constraint_stats_list.Viol_rms 0.0437
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0742
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 THR 0.333 0.067 1 0 "[ . 1 . 2]"
1 4 ARG 0.858 0.162 12 0 "[ . 1 . 2]"
1 5 TYR 5.282 0.175 12 0 "[ . 1 . 2]"
1 6 SER 2.094 0.175 12 0 "[ . 1 . 2]"
1 7 ALA 0.114 0.114 18 0 "[ . 1 . 2]"
1 8 GLU 0.327 0.068 18 0 "[ . 1 . 2]"
1 9 ALA 2.292 0.086 5 0 "[ . 1 . 2]"
1 10 PRO 2.702 0.099 10 0 "[ . 1 . 2]"
1 11 ALA 1.885 0.297 20 0 "[ . 1 . 2]"
1 12 ARG 0.600 0.045 20 0 "[ . 1 . 2]"
1 13 ASP 0.538 0.045 20 0 "[ . 1 . 2]"
1 14 GLU 0.869 0.100 20 0 "[ . 1 . 2]"
1 15 LEU 9.391 0.604 18 1 "[ . 1 . + 2]"
1 16 ASP 1.810 0.135 11 0 "[ . 1 . 2]"
1 17 ARG 1.432 0.076 7 0 "[ . 1 . 2]"
1 18 LEU 13.512 0.604 18 1 "[ . 1 . + 2]"
1 19 ALA 2.657 0.493 12 0 "[ . 1 . 2]"
1 20 GLY 1.742 0.102 6 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 1.237 0.106 15 0 "[ . 1 . 2]"
1 23 LEU 6.996 0.281 8 0 "[ . 1 . 2]"
1 24 VAL 5.359 0.477 7 0 "[ . 1 . 2]"
1 25 GLU 1.683 0.094 20 0 "[ . 1 . 2]"
1 26 PHE 10.286 0.990 3 9 "[ + .** 1**- * * *2]"
1 27 GLY 1.059 0.091 14 0 "[ . 1 . 2]"
1 28 THR 1.436 0.069 20 0 "[ . 1 . 2]"
1 29 ASP 0.263 0.108 12 0 "[ . 1 . 2]"
1 30 TRP 1.227 0.052 1 0 "[ . 1 . 2]"
1 31 CYS 1.481 0.069 20 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 HIS 3.603 0.109 16 0 "[ . 1 . 2]"
1 34 CYS 3.254 0.184 6 0 "[ . 1 . 2]"
1 35 GLN 10.092 0.184 6 0 "[ . 1 . 2]"
1 36 ALA 5.242 0.164 17 0 "[ . 1 . 2]"
1 37 ALA 1.624 0.082 16 0 "[ . 1 . 2]"
1 38 GLN 4.076 0.120 16 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 4.298 0.111 6 0 "[ . 1 . 2]"
1 41 LEU 5.037 0.302 10 0 "[ . 1 . 2]"
1 42 ALA 0.779 0.070 5 0 "[ . 1 . 2]"
1 43 GLU 10.707 0.406 8 0 "[ . 1 . 2]"
1 44 VAL 53.433 0.750 20 17 "[****** **1****-** *+]"
1 45 PHE 5.586 0.302 10 0 "[ . 1 . 2]"
1 46 SER 2.478 0.186 10 0 "[ . 1 . 2]"
1 47 ASP 2.082 0.116 18 0 "[ . 1 . 2]"
1 48 TYR 9.994 0.452 17 0 "[ . 1 . 2]"
1 49 PRO 10.216 0.560 3 10 "[ *+*. 1 -**.*** *]"
1 50 GLU 1.914 0.169 17 0 "[ . 1 . 2]"
1 51 VAL 18.225 0.560 3 10 "[ *+*. 1 -**.*** *]"
1 52 GLY 0.227 0.030 6 0 "[ . 1 . 2]"
1 53 HIS 11.209 0.281 8 0 "[ . 1 . 2]"
1 54 LEU 1.323 0.121 10 0 "[ . 1 . 2]"
1 55 LYS 0.288 0.079 16 0 "[ . 1 . 2]"
1 56 VAL 1.005 0.121 10 0 "[ . 1 . 2]"
1 57 GLU 0.169 0.114 18 0 "[ . 1 . 2]"
1 58 ASP 0.480 0.195 6 0 "[ . 1 . 2]"
1 59 GLY 1.026 0.195 6 0 "[ . 1 . 2]"
1 60 PRO 0.648 0.192 6 0 "[ . 1 . 2]"
1 64 LEU 13.688 0.990 3 9 "[ + .** 1**- * * *2]"
1 65 GLY 0.605 0.071 8 0 "[ . 1 . 2]"
1 66 ARG 1.115 0.197 11 0 "[ . 1 . 2]"
1 67 SER 1.437 0.125 7 0 "[ . 1 . 2]"
1 68 PHE 8.997 0.165 13 0 "[ . 1 . 2]"
1 69 GLN 7.966 0.428 13 0 "[ . 1 . 2]"
1 70 VAL 7.864 0.428 13 0 "[ . 1 . 2]"
1 71 LYS 0.499 0.062 14 0 "[ . 1 . 2]"
1 72 LEU 3.983 0.150 15 0 "[ . 1 . 2]"
1 73 TRP 8.637 0.187 3 0 "[ . 1 . 2]"
1 74 PRO 3.385 0.187 3 0 "[ . 1 . 2]"
1 75 THR 2.236 0.113 19 0 "[ . 1 . 2]"
1 76 PHE 9.084 0.143 11 0 "[ . 1 . 2]"
1 77 VAL 1.431 0.088 10 0 "[ . 1 . 2]"
1 78 PHE 12.576 0.231 10 0 "[ . 1 . 2]"
1 79 LEU 19.695 0.541 8 2 "[ . + - . 2]"
1 80 ARG 4.753 0.170 10 0 "[ . 1 . 2]"
1 81 ASP 1.275 0.106 15 0 "[ . 1 . 2]"
1 82 GLY 3.777 0.341 14 0 "[ . 1 . 2]"
1 83 ARG 8.645 0.541 8 2 "[ . + - . 2]"
1 84 GLU 7.117 0.487 14 0 "[ . 1 . 2]"
1 85 VAL 3.619 0.106 2 0 "[ . 1 . 2]"
1 86 ALA 8.817 0.361 1 0 "[ . 1 . 2]"
1 87 ARG 1.245 0.064 16 0 "[ . 1 . 2]"
1 88 VAL 7.121 0.233 19 0 "[ . 1 . 2]"
1 89 VAL 2.459 0.233 19 0 "[ . 1 . 2]"
1 90 ARG 0.500 0.106 13 0 "[ . 1 . 2]"
1 91 PRO 2.933 0.158 12 0 "[ . 1 . 2]"
1 92 GLY 0.702 0.358 18 0 "[ . 1 . 2]"
1 93 SER 0.300 0.069 18 0 "[ . 1 . 2]"
1 94 ALA 36.530 0.750 20 17 "[****** **1****-** *+]"
1 95 SER 0.355 0.044 6 0 "[ . 1 . 2]"
1 96 VAL 10.404 0.389 7 0 "[ . 1 . 2]"
1 97 LEU 10.262 0.158 15 0 "[ . 1 . 2]"
1 98 GLU 2.863 0.089 20 0 "[ . 1 . 2]"
1 99 GLU 2.941 0.103 14 0 "[ . 1 . 2]"
1 100 ALA 15.556 0.389 7 0 "[ . 1 . 2]"
1 101 PHE 21.656 0.463 20 0 "[ . 1 . 2]"
1 102 GLU 7.436 0.145 20 0 "[ . 1 . 2]"
1 103 SER 4.199 0.111 7 0 "[ . 1 . 2]"
1 104 LEU 17.329 0.463 20 0 "[ . 1 . 2]"
1 105 VAL 6.162 0.111 7 0 "[ . 1 . 2]"
1 106 GLY 1.669 0.061 19 0 "[ . 1 . 2]"
1 107 GLU 1.585 0.081 8 0 "[ . 1 . 2]"
1 108 GLY 0.636 0.081 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 THR HA 1 3 THR MG . . 2.680 2.299 2.216 2.375 . 0 0 "[ . 1 . 2]" 1
2 1 3 THR HA 1 4 ARG HE . . 5.150 4.268 2.598 5.153 0.003 5 0 "[ . 1 . 2]" 1
3 1 3 THR MG 1 4 ARG H . . 4.260 3.271 1.839 4.213 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR MG 1 4 ARG HE . . 4.520 4.362 3.367 4.587 0.067 1 0 "[ . 1 . 2]" 1
5 1 4 ARG H 1 4 ARG HB3 . . 4.140 3.295 2.392 3.681 . 0 0 "[ . 1 . 2]" 1
6 1 4 ARG H 1 4 ARG HE . . 3.310 2.896 1.869 3.379 0.069 3 0 "[ . 1 . 2]" 1
7 1 4 ARG H 1 4 ARG HG3 . . 4.470 3.357 1.871 4.372 . 0 0 "[ . 1 . 2]" 1
8 1 4 ARG H 1 5 TYR H . . 4.760 4.316 2.257 4.650 . 0 0 "[ . 1 . 2]" 1
9 1 4 ARG HA 1 4 ARG HE . . 5.210 4.266 1.904 4.839 . 0 0 "[ . 1 . 2]" 1
10 1 4 ARG HA 1 5 TYR H . . 3.230 2.494 2.119 3.392 0.162 12 0 "[ . 1 . 2]" 1
11 1 4 ARG HA 1 5 TYR QD . . 5.470 3.712 2.749 5.389 . 0 0 "[ . 1 . 2]" 1
12 1 4 ARG HB3 1 5 TYR H . . 4.260 3.182 2.099 3.985 . 0 0 "[ . 1 . 2]" 1
13 1 5 TYR H 1 5 TYR HB3 . . 4.000 3.505 3.413 3.576 . 0 0 "[ . 1 . 2]" 1
14 1 5 TYR H 1 5 TYR QD . . 4.180 2.513 2.242 2.767 . 0 0 "[ . 1 . 2]" 1
15 1 5 TYR H 1 5 TYR QE . . 5.030 4.798 4.568 5.059 0.029 10 0 "[ . 1 . 2]" 1
16 1 5 TYR H 1 6 SER H . . 4.800 4.683 4.627 4.718 . 0 0 "[ . 1 . 2]" 1
17 1 5 TYR H 1 55 LYS HB3 . . 5.500 4.561 4.329 4.820 . 0 0 "[ . 1 . 2]" 1
18 1 5 TYR HA 1 5 TYR QE . . 4.540 4.536 4.397 4.597 0.057 19 0 "[ . 1 . 2]" 1
19 1 5 TYR HA 1 6 SER H . . 3.490 2.349 2.157 2.488 . 0 0 "[ . 1 . 2]" 1
20 1 5 TYR HA 1 55 LYS HA . . 4.860 4.501 4.334 4.616 . 0 0 "[ . 1 . 2]" 1
21 1 5 TYR HA 1 55 LYS HB3 . . 4.090 2.073 1.956 2.264 . 0 0 "[ . 1 . 2]" 1
22 1 5 TYR HA 1 55 LYS HD3 . . 5.200 4.934 4.348 5.232 0.032 12 0 "[ . 1 . 2]" 1
23 1 5 TYR HA 1 55 LYS HE3 . . 4.490 3.864 3.539 4.145 . 0 0 "[ . 1 . 2]" 1
24 1 5 TYR HA 1 56 VAL H . . 5.500 5.454 5.198 5.542 0.042 14 0 "[ . 1 . 2]" 1
25 1 5 TYR HB3 1 6 SER H . . 4.450 2.649 2.364 2.947 . 0 0 "[ . 1 . 2]" 1
26 1 5 TYR HB3 1 28 THR HA . . 3.890 3.471 3.236 3.885 . 0 0 "[ . 1 . 2]" 1
27 1 5 TYR HB3 1 28 THR MG . . 5.500 4.684 4.568 4.881 . 0 0 "[ . 1 . 2]" 1
28 1 5 TYR HB3 1 29 ASP H . . 5.380 4.570 4.035 5.233 . 0 0 "[ . 1 . 2]" 1
29 1 5 TYR HB3 1 57 GLU H . . 4.680 3.745 3.395 4.173 . 0 0 "[ . 1 . 2]" 1
30 1 5 TYR HB3 1 57 GLU HA . . 5.020 3.065 2.798 3.430 . 0 0 "[ . 1 . 2]" 1
31 1 5 TYR HB3 1 58 ASP H . . 5.500 5.123 4.850 5.406 . 0 0 "[ . 1 . 2]" 1
32 1 5 TYR QD 1 6 SER HA . . 5.500 5.605 5.507 5.675 0.175 12 0 "[ . 1 . 2]" 1
33 1 5 TYR QD 1 26 PHE HA . . 5.300 4.705 4.500 4.950 . 0 0 "[ . 1 . 2]" 1
34 1 5 TYR QD 1 27 GLY H . . 3.940 3.823 3.613 3.958 0.018 1 0 "[ . 1 . 2]" 1
35 1 5 TYR QD 1 28 THR HA . . 4.510 3.339 3.123 3.586 . 0 0 "[ . 1 . 2]" 1
36 1 5 TYR QD 1 29 ASP H . . 5.140 3.828 3.325 4.142 . 0 0 "[ . 1 . 2]" 1
37 1 5 TYR QD 1 29 ASP HA . . 4.270 2.849 2.593 3.089 . 0 0 "[ . 1 . 2]" 1
38 1 5 TYR QD 1 55 LYS HE3 . . 5.490 5.305 4.467 5.569 0.079 16 0 "[ . 1 . 2]" 1
39 1 5 TYR QD 1 56 VAL H . . 4.660 3.554 3.200 3.845 . 0 0 "[ . 1 . 2]" 1
40 1 5 TYR QD 1 56 VAL HB . . 4.950 4.796 4.626 4.972 0.022 1 0 "[ . 1 . 2]" 1
41 1 5 TYR QD 1 56 VAL QG . . 4.780 4.377 4.212 4.483 . 0 0 "[ . 1 . 2]" 1
42 1 5 TYR QD 1 57 GLU HA . . 4.270 2.775 2.386 3.262 . 0 0 "[ . 1 . 2]" 1
43 1 5 TYR QE 1 25 GLU HA . . 5.390 5.191 4.871 5.446 0.056 10 0 "[ . 1 . 2]" 1
44 1 5 TYR QE 1 25 GLU HG3 . . 4.980 3.790 2.344 4.929 . 0 0 "[ . 1 . 2]" 1
45 1 5 TYR QE 1 26 PHE H . . 4.980 4.558 4.292 4.848 . 0 0 "[ . 1 . 2]" 1
46 1 5 TYR QE 1 26 PHE HA . . 5.500 3.432 3.088 4.043 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR QE 1 27 GLY H . . 4.200 2.860 2.595 3.429 . 0 0 "[ . 1 . 2]" 1
48 1 5 TYR QE 1 27 GLY HA2 . . 4.930 4.335 4.090 4.642 . 0 0 "[ . 1 . 2]" 1
49 1 5 TYR QE 1 27 GLY QA . . 4.210 3.071 2.754 3.282 . 0 0 "[ . 1 . 2]" 1
50 1 5 TYR QE 1 27 GLY HA3 . . 4.930 3.142 2.799 3.367 . 0 0 "[ . 1 . 2]" 1
51 1 5 TYR QE 1 28 THR H . . 4.500 3.835 3.428 4.060 . 0 0 "[ . 1 . 2]" 1
52 1 5 TYR QE 1 29 ASP HA . . 4.150 3.555 2.837 3.924 . 0 0 "[ . 1 . 2]" 1
53 1 5 TYR QE 1 34 CYS HA . . 5.500 4.978 4.632 5.494 . 0 0 "[ . 1 . 2]" 1
54 1 5 TYR QE 1 53 HIS HE1 . . 5.500 5.583 5.515 5.632 0.132 17 0 "[ . 1 . 2]" 1
55 1 5 TYR QE 1 56 VAL H . . 4.920 3.332 3.102 3.552 . 0 0 "[ . 1 . 2]" 1
56 1 5 TYR QE 1 56 VAL HA . . 5.480 5.172 4.831 5.500 0.020 12 0 "[ . 1 . 2]" 1
57 1 5 TYR QE 1 56 VAL HB . . 5.500 4.623 4.269 5.154 . 0 0 "[ . 1 . 2]" 1
58 1 5 TYR QE 1 57 GLU HA . . 5.020 4.319 3.857 4.770 . 0 0 "[ . 1 . 2]" 1
59 1 6 SER H 1 7 ALA H . . 5.500 4.399 4.340 4.473 . 0 0 "[ . 1 . 2]" 1
60 1 6 SER H 1 55 LYS HA . . 4.830 4.741 4.601 4.810 . 0 0 "[ . 1 . 2]" 1
61 1 6 SER H 1 56 VAL HA . . 3.990 3.677 3.485 3.830 . 0 0 "[ . 1 . 2]" 1
62 1 6 SER H 1 56 VAL QG . . 5.440 4.717 4.495 4.857 . 0 0 "[ . 1 . 2]" 1
63 1 6 SER H 1 57 GLU H . . 4.140 3.260 3.071 3.482 . 0 0 "[ . 1 . 2]" 1
64 1 6 SER HA 1 8 GLU H . . 4.040 3.607 3.160 3.999 . 0 0 "[ . 1 . 2]" 1
65 1 6 SER HA 1 57 GLU H . . 5.180 4.664 4.464 4.880 . 0 0 "[ . 1 . 2]" 1
66 1 7 ALA H 1 8 GLU H . . 4.650 2.436 2.153 2.591 . 0 0 "[ . 1 . 2]" 1
67 1 7 ALA HA 1 56 VAL HA . . 5.280 4.587 4.277 5.059 . 0 0 "[ . 1 . 2]" 1
68 1 7 ALA HA 1 57 GLU H . . 3.940 3.117 2.923 3.524 . 0 0 "[ . 1 . 2]" 1
69 1 7 ALA HA 1 57 GLU HB3 . . 3.420 2.355 2.162 3.534 0.114 18 0 "[ . 1 . 2]" 1
70 1 7 ALA MB 1 8 GLU H . . 3.460 2.956 2.716 3.250 . 0 0 "[ . 1 . 2]" 1
71 1 7 ALA MB 1 8 GLU HA . . 4.140 4.015 3.876 4.091 . 0 0 "[ . 1 . 2]" 1
72 1 7 ALA MB 1 57 GLU H . . 5.100 4.439 4.211 4.801 . 0 0 "[ . 1 . 2]" 1
73 1 8 GLU H 1 8 GLU HG3 . . 3.780 3.050 2.403 3.775 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLU H 1 9 ALA H . . 4.030 3.182 2.897 3.380 . 0 0 "[ . 1 . 2]" 1
75 1 8 GLU H 1 9 ALA MB . . 5.400 4.535 4.294 4.743 . 0 0 "[ . 1 . 2]" 1
76 1 8 GLU HA 1 9 ALA H . . 2.930 2.869 2.728 2.998 0.068 18 0 "[ . 1 . 2]" 1
77 1 9 ALA H 1 9 ALA MB . . 3.060 2.226 2.191 2.251 . 0 0 "[ . 1 . 2]" 1
78 1 9 ALA H 1 56 VAL MG1 . . 5.200 4.121 3.732 4.510 . 0 0 "[ . 1 . 2]" 1
79 1 9 ALA H 1 56 VAL QG . . 4.570 3.915 3.581 4.252 . 0 0 "[ . 1 . 2]" 1
80 1 9 ALA H 1 56 VAL MG2 . . 5.200 4.891 4.608 5.203 0.003 17 0 "[ . 1 . 2]" 1
81 1 9 ALA MB 1 10 PRO HB3 . . 5.010 5.044 5.024 5.059 0.049 2 0 "[ . 1 . 2]" 1
82 1 9 ALA MB 1 10 PRO HD3 . . 3.500 3.411 3.309 3.460 . 0 0 "[ . 1 . 2]" 1
83 1 9 ALA MB 1 10 PRO HG3 . . 4.350 4.413 4.388 4.436 0.086 5 0 "[ . 1 . 2]" 1
84 1 9 ALA MB 1 26 PHE QE . . 5.500 5.168 4.629 5.512 0.012 1 0 "[ . 1 . 2]" 1
85 1 9 ALA MB 1 56 VAL H . . 5.150 4.829 4.592 5.094 . 0 0 "[ . 1 . 2]" 1
86 1 9 ALA MB 1 56 VAL MG1 . . 2.920 2.269 2.111 2.474 . 0 0 "[ . 1 . 2]" 1
87 1 9 ALA MB 1 56 VAL MG2 . . 2.920 2.242 2.099 2.437 . 0 0 "[ . 1 . 2]" 1
88 1 9 ALA MB 1 64 LEU QD . . 3.030 2.662 2.270 3.002 . 0 0 "[ . 1 . 2]" 1
89 1 10 PRO HA 1 11 ALA H . . 2.930 2.328 2.255 2.427 . 0 0 "[ . 1 . 2]" 1
90 1 10 PRO HA 1 11 ALA MB . . 4.270 4.078 3.923 4.170 . 0 0 "[ . 1 . 2]" 1
91 1 10 PRO HB3 1 11 ALA H . . 3.540 3.575 3.553 3.639 0.099 10 0 "[ . 1 . 2]" 1
92 1 10 PRO HG3 1 54 LEU QD . . 3.590 2.883 2.461 3.663 0.073 13 0 "[ . 1 . 2]" 1
93 1 11 ALA H 1 11 ALA MB . . 2.790 2.251 2.193 2.280 . 0 0 "[ . 1 . 2]" 1
94 1 11 ALA H 1 12 ARG H . . 4.660 4.650 4.611 4.672 0.012 5 0 "[ . 1 . 2]" 1
95 1 11 ALA H 1 14 GLU H . . 4.540 3.886 3.678 4.076 . 0 0 "[ . 1 . 2]" 1
96 1 11 ALA H 1 15 LEU H . . 4.990 4.444 4.212 4.896 . 0 0 "[ . 1 . 2]" 1
97 1 11 ALA H 1 15 LEU QD . . 5.440 5.180 3.729 5.737 0.297 20 0 "[ . 1 . 2]" 1
98 1 11 ALA HA 1 64 LEU MD1 . . 5.500 2.955 2.379 3.942 . 0 0 "[ . 1 . 2]" 1
99 1 11 ALA HA 1 64 LEU QD . . 4.180 2.898 2.359 3.690 . 0 0 "[ . 1 . 2]" 1
100 1 11 ALA HA 1 64 LEU MD2 . . 5.500 4.336 3.906 4.994 . 0 0 "[ . 1 . 2]" 1
101 1 11 ALA MB 1 12 ARG H . . 3.650 2.645 2.484 2.815 . 0 0 "[ . 1 . 2]" 1
102 1 11 ALA MB 1 13 ASP H . . 3.370 2.924 2.794 3.159 . 0 0 "[ . 1 . 2]" 1
103 1 11 ALA MB 1 14 GLU H . . 3.540 2.881 2.674 3.199 . 0 0 "[ . 1 . 2]" 1
104 1 11 ALA MB 1 15 LEU H . . 4.890 4.329 4.148 4.732 . 0 0 "[ . 1 . 2]" 1
105 1 12 ARG H 1 12 ARG HB3 . . 4.200 3.043 2.525 3.629 . 0 0 "[ . 1 . 2]" 1
106 1 12 ARG H 1 13 ASP H . . 4.250 2.848 2.749 2.901 . 0 0 "[ . 1 . 2]" 1
107 1 12 ARG H 1 13 ASP HA . . 5.470 5.493 5.443 5.515 0.045 20 0 "[ . 1 . 2]" 1
108 1 12 ARG H 1 15 LEU QD . . 5.220 4.573 3.604 5.132 . 0 0 "[ . 1 . 2]" 1
109 1 12 ARG H 1 64 LEU MD1 . . 5.500 2.812 2.425 3.479 . 0 0 "[ . 1 . 2]" 1
110 1 12 ARG H 1 64 LEU QD . . 4.070 2.792 2.417 3.421 . 0 0 "[ . 1 . 2]" 1
111 1 12 ARG H 1 64 LEU MD2 . . 5.500 4.774 4.357 5.274 . 0 0 "[ . 1 . 2]" 1
112 1 12 ARG HA 1 12 ARG HG3 . . 4.250 3.296 2.249 3.749 . 0 0 "[ . 1 . 2]" 1
113 1 12 ARG HA 1 14 GLU H . . 4.900 4.140 3.866 4.482 . 0 0 "[ . 1 . 2]" 1
114 1 12 ARG HA 1 15 LEU H . . 4.680 3.301 2.987 3.622 . 0 0 "[ . 1 . 2]" 1
115 1 12 ARG HA 1 15 LEU HB3 . . 4.490 2.617 2.114 4.064 . 0 0 "[ . 1 . 2]" 1
116 1 12 ARG HA 1 15 LEU MD1 . . 4.460 3.330 2.316 4.223 . 0 0 "[ . 1 . 2]" 1
117 1 12 ARG HA 1 15 LEU QD . . 3.800 2.727 2.253 3.193 . 0 0 "[ . 1 . 2]" 1
118 1 12 ARG HA 1 15 LEU MD2 . . 4.460 3.135 2.314 4.281 . 0 0 "[ . 1 . 2]" 1
119 1 12 ARG HA 1 16 ASP H . . 5.100 4.186 3.970 4.549 . 0 0 "[ . 1 . 2]" 1
120 1 12 ARG HA 1 64 LEU QD . . 3.630 2.623 2.265 3.222 . 0 0 "[ . 1 . 2]" 1
121 1 12 ARG HG3 1 15 LEU MD1 . . 6.190 5.145 2.587 6.230 0.040 15 0 "[ . 1 . 2]" 1
122 1 12 ARG HG3 1 15 LEU MD2 . . 6.190 4.224 2.428 5.993 . 0 0 "[ . 1 . 2]" 1
123 1 13 ASP H 1 14 GLU H . . 3.650 2.676 2.437 2.841 . 0 0 "[ . 1 . 2]" 1
124 1 13 ASP H 1 14 GLU HA . . 5.490 5.355 5.177 5.501 0.011 18 0 "[ . 1 . 2]" 1
125 1 13 ASP H 1 15 LEU H . . 4.630 4.071 3.866 4.305 . 0 0 "[ . 1 . 2]" 1
126 1 13 ASP H 1 16 ASP H . . 5.300 4.751 4.620 4.987 . 0 0 "[ . 1 . 2]" 1
127 1 13 ASP HA 1 14 GLU HA . . 5.500 4.775 4.669 4.856 . 0 0 "[ . 1 . 2]" 1
128 1 13 ASP HA 1 15 LEU H . . 5.030 4.461 4.172 4.644 . 0 0 "[ . 1 . 2]" 1
129 1 13 ASP HA 1 16 ASP H . . 3.920 3.461 3.224 3.643 . 0 0 "[ . 1 . 2]" 1
130 1 13 ASP HA 1 17 ARG H . . 5.500 5.294 4.874 5.522 0.022 14 0 "[ . 1 . 2]" 1
131 1 14 GLU H 1 14 GLU HB3 . . 3.530 3.071 2.430 3.602 0.072 14 0 "[ . 1 . 2]" 1
132 1 14 GLU H 1 15 LEU H . . 3.320 2.344 2.203 2.507 . 0 0 "[ . 1 . 2]" 1
133 1 14 GLU H 1 16 ASP H . . 4.120 3.828 3.608 3.988 . 0 0 "[ . 1 . 2]" 1
134 1 14 GLU HA 1 14 GLU HG3 . . 3.590 2.952 2.422 3.690 0.100 20 0 "[ . 1 . 2]" 1
135 1 14 GLU HA 1 16 ASP H . . 4.470 4.145 3.673 4.452 . 0 0 "[ . 1 . 2]" 1
136 1 14 GLU HA 1 17 ARG H . . 3.980 3.752 3.544 3.992 0.012 17 0 "[ . 1 . 2]" 1
137 1 14 GLU HB3 1 15 LEU H . . 4.200 3.251 2.624 3.824 . 0 0 "[ . 1 . 2]" 1
138 1 15 LEU H 1 15 LEU HB3 . . 3.700 2.581 2.046 3.577 . 0 0 "[ . 1 . 2]" 1
139 1 15 LEU H 1 15 LEU MD1 . . 4.480 3.783 2.305 4.216 . 0 0 "[ . 1 . 2]" 1
140 1 15 LEU H 1 15 LEU QD . . 3.820 3.406 2.292 3.721 . 0 0 "[ . 1 . 2]" 1
141 1 15 LEU H 1 15 LEU MD2 . . 4.480 4.068 3.655 4.356 . 0 0 "[ . 1 . 2]" 1
142 1 15 LEU H 1 15 LEU HG . . 4.640 4.312 3.766 4.493 . 0 0 "[ . 1 . 2]" 1
143 1 15 LEU H 1 16 ASP H . . 3.590 2.680 2.525 2.781 . 0 0 "[ . 1 . 2]" 1
144 1 15 LEU H 1 17 ARG H . . 4.490 4.210 4.040 4.336 . 0 0 "[ . 1 . 2]" 1
145 1 15 LEU H 1 18 LEU H . . 5.500 5.558 5.515 5.627 0.127 17 0 "[ . 1 . 2]" 1
146 1 15 LEU H 1 18 LEU QD . . 4.980 5.193 4.626 5.584 0.604 18 1 "[ . 1 . + 2]" 1
147 1 15 LEU HA 1 15 LEU MD1 . . 3.960 3.203 2.293 3.749 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU HA 1 15 LEU MD2 . . 3.960 3.577 2.603 3.918 . 0 0 "[ . 1 . 2]" 1
149 1 15 LEU HA 1 15 LEU HG . . 3.760 2.597 2.259 2.894 . 0 0 "[ . 1 . 2]" 1
150 1 15 LEU HA 1 17 ARG H . . 4.410 3.736 3.535 3.935 . 0 0 "[ . 1 . 2]" 1
151 1 15 LEU HA 1 18 LEU H . . 3.880 3.625 3.438 3.766 . 0 0 "[ . 1 . 2]" 1
152 1 15 LEU HA 1 18 LEU QD . . 2.990 2.900 2.476 3.441 0.451 18 0 "[ . 1 . 2]" 1
153 1 15 LEU HA 1 18 LEU HG . . 4.270 4.003 2.460 4.373 0.103 13 0 "[ . 1 . 2]" 1
154 1 15 LEU HB3 1 15 LEU MD1 . . 3.440 2.840 2.446 3.247 . 0 0 "[ . 1 . 2]" 1
155 1 15 LEU HB3 1 15 LEU MD2 . . 3.440 2.242 2.184 2.318 . 0 0 "[ . 1 . 2]" 1
156 1 15 LEU QD 1 16 ASP H . . 5.380 3.624 2.858 4.347 . 0 0 "[ . 1 . 2]" 1
157 1 15 LEU QD 1 64 LEU QD . . 3.440 2.004 1.835 2.504 . 0 0 "[ . 1 . 2]" 1
158 1 15 LEU QD 1 68 PHE HZ . . 5.060 2.093 1.960 2.307 . 0 0 "[ . 1 . 2]" 1
159 1 15 LEU QD 1 79 LEU QD . . 3.350 2.055 1.831 2.347 . 0 0 "[ . 1 . 2]" 1
160 1 15 LEU MD1 1 68 PHE QE . . 3.710 3.033 2.166 3.808 0.098 16 0 "[ . 1 . 2]" 1
161 1 15 LEU MD2 1 68 PHE QE . . 3.710 2.855 2.116 3.572 . 0 0 "[ . 1 . 2]" 1
162 1 15 LEU HG 1 18 LEU QD . . 3.390 2.391 2.112 3.199 . 0 0 "[ . 1 . 2]" 1
163 1 15 LEU HG 1 79 LEU QD . . 4.310 3.323 2.476 4.609 0.299 9 0 "[ . 1 . 2]" 1
164 1 16 ASP H 1 17 ARG H . . 3.650 2.733 2.411 2.867 . 0 0 "[ . 1 . 2]" 1
165 1 16 ASP H 1 18 LEU H . . 4.250 4.340 4.245 4.385 0.135 11 0 "[ . 1 . 2]" 1
166 1 16 ASP H 1 18 LEU QD . . 5.440 5.031 4.822 5.335 . 0 0 "[ . 1 . 2]" 1
167 1 17 ARG H 1 17 ARG HB3 . . 3.820 3.610 3.545 3.656 . 0 0 "[ . 1 . 2]" 1
168 1 17 ARG H 1 18 LEU H . . 2.740 2.537 2.417 2.605 . 0 0 "[ . 1 . 2]" 1
169 1 17 ARG H 1 18 LEU HA . . 5.060 5.073 4.922 5.120 0.060 2 0 "[ . 1 . 2]" 1
170 1 17 ARG HA 1 18 LEU H . . 3.520 3.446 3.345 3.511 . 0 0 "[ . 1 . 2]" 1
171 1 17 ARG HB3 1 18 LEU H . . 4.190 4.215 4.133 4.265 0.075 19 0 "[ . 1 . 2]" 1
172 1 17 ARG HB3 1 18 LEU HA . . 4.790 4.741 4.608 4.866 0.076 7 0 "[ . 1 . 2]" 1
173 1 18 LEU H 1 18 LEU MD1 . . 4.140 3.906 3.515 4.047 . 0 0 "[ . 1 . 2]" 1
174 1 18 LEU H 1 18 LEU QD . . 3.340 3.300 3.222 3.439 0.099 18 0 "[ . 1 . 2]" 1
175 1 18 LEU H 1 18 LEU MD2 . . 4.140 3.584 3.407 3.923 . 0 0 "[ . 1 . 2]" 1
176 1 18 LEU H 1 18 LEU HG . . 3.650 2.691 2.536 2.784 . 0 0 "[ . 1 . 2]" 1
177 1 18 LEU H 1 19 ALA H . . 4.730 4.704 4.637 4.741 0.011 4 0 "[ . 1 . 2]" 1
178 1 18 LEU H 1 82 GLY QA . . 4.330 3.506 3.104 4.134 . 0 0 "[ . 1 . 2]" 1
179 1 18 LEU HA 1 18 LEU MD1 . . 4.150 3.664 3.586 3.928 . 0 0 "[ . 1 . 2]" 1
180 1 18 LEU HA 1 18 LEU QD . . 3.340 3.206 2.078 3.417 0.077 11 0 "[ . 1 . 2]" 1
181 1 18 LEU HA 1 18 LEU MD2 . . 4.150 3.810 2.087 4.135 . 0 0 "[ . 1 . 2]" 1
182 1 18 LEU HA 1 19 ALA H . . 2.950 2.416 2.329 2.481 . 0 0 "[ . 1 . 2]" 1
183 1 18 LEU HA 1 19 ALA MB . . 3.900 3.802 3.734 3.933 0.033 18 0 "[ . 1 . 2]" 1
184 1 18 LEU QD 1 19 ALA H . . 3.850 2.744 2.559 2.983 . 0 0 "[ . 1 . 2]" 1
185 1 18 LEU QD 1 19 ALA HA . . 5.360 3.203 2.434 5.021 . 0 0 "[ . 1 . 2]" 1
186 1 18 LEU QD 1 19 ALA MB . . 3.900 3.901 3.612 4.393 0.493 12 0 "[ . 1 . 2]" 1
187 1 18 LEU QD 1 20 GLY H . . 3.980 3.100 2.258 3.936 . 0 0 "[ . 1 . 2]" 1
188 1 18 LEU QD 1 79 LEU HB3 . . 3.990 2.617 2.074 3.819 . 0 0 "[ . 1 . 2]" 1
189 1 18 LEU QD 1 80 ARG H . . 5.440 4.107 3.326 5.464 0.024 12 0 "[ . 1 . 2]" 1
190 1 18 LEU QD 1 81 ASP H . . 5.420 3.754 2.964 5.468 0.048 12 0 "[ . 1 . 2]" 1
191 1 18 LEU QD 1 82 GLY H . . 4.260 2.522 1.840 4.202 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU MD1 1 19 ALA H . . 4.900 2.990 2.579 4.321 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU MD1 1 20 GLY H . . 5.480 3.369 2.263 5.488 0.008 7 0 "[ . 1 . 2]" 1
194 1 18 LEU MD1 1 82 GLY H . . 4.950 2.569 1.842 4.521 . 0 0 "[ . 1 . 2]" 1
195 1 18 LEU MD2 1 19 ALA H . . 4.900 4.162 2.683 4.618 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU MD2 1 20 GLY H . . 5.480 4.895 3.465 5.582 0.102 6 0 "[ . 1 . 2]" 1
197 1 18 LEU MD2 1 82 GLY H . . 4.950 4.662 4.224 5.005 0.055 9 0 "[ . 1 . 2]" 1
198 1 18 LEU HG 1 19 ALA H . . 4.700 4.385 4.252 4.618 . 0 0 "[ . 1 . 2]" 1
199 1 19 ALA H 1 19 ALA MB . . 2.840 2.606 2.505 2.744 . 0 0 "[ . 1 . 2]" 1
200 1 19 ALA H 1 20 GLY H . . 4.880 2.437 1.989 4.246 . 0 0 "[ . 1 . 2]" 1
201 1 19 ALA HA 1 20 GLY QA . . 4.380 4.342 3.930 4.443 0.063 19 0 "[ . 1 . 2]" 1
202 1 19 ALA HA 1 81 ASP H . . 3.970 3.020 2.692 3.468 . 0 0 "[ . 1 . 2]" 1
203 1 19 ALA HA 1 81 ASP HB3 . . 5.300 5.150 5.017 5.319 0.019 6 0 "[ . 1 . 2]" 1
204 1 19 ALA HA 1 82 GLY H . . 3.400 3.028 2.939 3.235 . 0 0 "[ . 1 . 2]" 1
205 1 19 ALA MB 1 20 GLY H . . 3.720 2.855 2.493 3.745 0.025 17 0 "[ . 1 . 2]" 1
206 1 19 ALA MB 1 20 GLY QA . . 4.260 3.689 3.563 4.062 . 0 0 "[ . 1 . 2]" 1
207 1 19 ALA MB 1 81 ASP HA . . 4.600 3.231 2.805 3.557 . 0 0 "[ . 1 . 2]" 1
208 1 19 ALA MB 1 82 GLY H . . 4.530 4.557 4.532 4.608 0.078 12 0 "[ . 1 . 2]" 1
209 1 20 GLY H 1 80 ARG HA . . 5.130 4.861 3.469 5.189 0.059 14 0 "[ . 1 . 2]" 1
210 1 20 GLY H 1 81 ASP H . . 4.860 4.177 2.250 4.696 . 0 0 "[ . 1 . 2]" 1
211 1 20 GLY H 1 81 ASP HA . . 5.500 4.907 2.821 5.530 0.030 19 0 "[ . 1 . 2]" 1
212 1 20 GLY QA 1 22 THR H . . 5.250 4.989 4.829 5.241 . 0 0 "[ . 1 . 2]" 1
213 1 20 GLY QA 1 81 ASP H . . 4.320 3.910 3.140 4.150 . 0 0 "[ . 1 . 2]" 1
214 1 21 PRO HA 1 22 THR H . . 3.390 2.151 2.103 2.203 . 0 0 "[ . 1 . 2]" 1
215 1 21 PRO HA 1 80 ARG HA . . 3.620 2.948 2.682 3.231 . 0 0 "[ . 1 . 2]" 1
216 1 21 PRO HA 1 81 ASP H . . 5.400 4.725 4.418 4.959 . 0 0 "[ . 1 . 2]" 1
217 1 22 THR H 1 22 THR HB . . 3.890 2.720 2.495 2.827 . 0 0 "[ . 1 . 2]" 1
218 1 22 THR H 1 22 THR MG . . 3.980 3.933 3.855 3.979 . 0 0 "[ . 1 . 2]" 1
219 1 22 THR H 1 23 LEU H . . 5.080 4.247 4.104 4.527 . 0 0 "[ . 1 . 2]" 1
220 1 22 THR H 1 51 VAL QG . . 5.050 3.895 3.629 4.060 . 0 0 "[ . 1 . 2]" 1
221 1 22 THR H 1 79 LEU QD . . 5.420 4.705 4.442 4.906 . 0 0 "[ . 1 . 2]" 1
222 1 22 THR H 1 80 ARG H . . 5.500 4.750 4.587 4.828 . 0 0 "[ . 1 . 2]" 1
223 1 22 THR H 1 80 ARG HA . . 4.660 3.563 3.461 3.618 . 0 0 "[ . 1 . 2]" 1
224 1 22 THR H 1 80 ARG HG3 . . 5.500 4.451 4.188 4.975 . 0 0 "[ . 1 . 2]" 1
225 1 22 THR H 1 81 ASP H . . 5.500 5.554 5.431 5.606 0.106 15 0 "[ . 1 . 2]" 1
226 1 22 THR HA 1 22 THR MG . . 3.250 2.379 2.322 2.483 . 0 0 "[ . 1 . 2]" 1
227 1 22 THR HA 1 51 VAL QG . . 3.860 3.040 2.657 3.290 . 0 0 "[ . 1 . 2]" 1
228 1 22 THR HA 1 52 GLY H . . 4.390 2.614 2.398 2.860 . 0 0 "[ . 1 . 2]" 1
229 1 22 THR HA 1 53 HIS HA . . 5.050 4.530 4.378 4.759 . 0 0 "[ . 1 . 2]" 1
230 1 22 THR HB 1 23 LEU H . . 4.910 4.280 3.909 4.379 . 0 0 "[ . 1 . 2]" 1
231 1 22 THR HB 1 79 LEU H . . 4.720 3.951 3.324 4.125 . 0 0 "[ . 1 . 2]" 1
232 1 22 THR HB 1 79 LEU HA . . 5.500 5.376 4.619 5.526 0.026 2 0 "[ . 1 . 2]" 1
233 1 22 THR HB 1 79 LEU HB3 . . 4.230 3.597 2.857 3.941 . 0 0 "[ . 1 . 2]" 1
234 1 22 THR HB 1 79 LEU QD . . 5.060 3.743 2.944 4.170 . 0 0 "[ . 1 . 2]" 1
235 1 22 THR MG 1 23 LEU H . . 3.390 2.888 2.241 3.051 . 0 0 "[ . 1 . 2]" 1
236 1 22 THR MG 1 23 LEU HA . . 4.550 3.957 3.405 4.101 . 0 0 "[ . 1 . 2]" 1
237 1 22 THR MG 1 23 LEU QD . . 5.220 4.757 4.452 4.868 . 0 0 "[ . 1 . 2]" 1
238 1 22 THR MG 1 24 VAL H . . 4.590 4.135 3.520 4.354 . 0 0 "[ . 1 . 2]" 1
239 1 22 THR MG 1 52 GLY H . . 4.470 4.104 3.878 4.393 . 0 0 "[ . 1 . 2]" 1
240 1 22 THR MG 1 53 HIS H . . 5.500 4.208 3.906 5.163 . 0 0 "[ . 1 . 2]" 1
241 1 22 THR MG 1 53 HIS HA . . 4.270 3.721 3.436 4.048 . 0 0 "[ . 1 . 2]" 1
242 1 22 THR MG 1 53 HIS HD2 . . 5.040 4.900 4.598 5.034 . 0 0 "[ . 1 . 2]" 1
243 1 22 THR MG 1 54 LEU H . . 5.500 3.513 3.210 3.845 . 0 0 "[ . 1 . 2]" 1
244 1 22 THR MG 1 79 LEU H . . 5.500 4.386 3.805 4.519 . 0 0 "[ . 1 . 2]" 1
245 1 23 LEU H 1 23 LEU HB3 . . 3.710 2.480 2.437 2.764 . 0 0 "[ . 1 . 2]" 1
246 1 23 LEU H 1 23 LEU MD1 . . 4.790 4.164 4.116 4.342 . 0 0 "[ . 1 . 2]" 1
247 1 23 LEU H 1 23 LEU QD . . 4.170 3.788 3.744 3.992 . 0 0 "[ . 1 . 2]" 1
248 1 23 LEU H 1 23 LEU MD2 . . 4.790 4.357 4.297 4.659 . 0 0 "[ . 1 . 2]" 1
249 1 23 LEU H 1 24 VAL H . . 4.540 4.461 4.168 4.529 . 0 0 "[ . 1 . 2]" 1
250 1 23 LEU H 1 51 VAL QG . . 3.800 2.746 2.602 3.104 . 0 0 "[ . 1 . 2]" 1
251 1 23 LEU H 1 52 GLY H . . 4.800 3.734 3.566 3.969 . 0 0 "[ . 1 . 2]" 1
252 1 23 LEU H 1 53 HIS HA . . 4.690 3.083 2.988 3.229 . 0 0 "[ . 1 . 2]" 1
253 1 23 LEU H 1 79 LEU H . . 5.110 4.675 4.560 4.779 . 0 0 "[ . 1 . 2]" 1
254 1 23 LEU HA 1 23 LEU MD1 . . 4.080 2.101 2.075 2.131 . 0 0 "[ . 1 . 2]" 1
255 1 23 LEU HA 1 23 LEU QD . . 3.210 2.091 2.066 2.121 . 0 0 "[ . 1 . 2]" 1
256 1 23 LEU HA 1 23 LEU MD2 . . 4.080 3.828 3.810 3.841 . 0 0 "[ . 1 . 2]" 1
257 1 23 LEU HA 1 24 VAL H . . 3.050 2.170 2.150 2.201 . 0 0 "[ . 1 . 2]" 1
258 1 23 LEU HA 1 53 HIS HD2 . . 4.590 4.431 4.334 4.557 . 0 0 "[ . 1 . 2]" 1
259 1 23 LEU HB3 1 24 VAL H . . 4.380 4.273 4.202 4.335 . 0 0 "[ . 1 . 2]" 1
260 1 23 LEU HB3 1 25 GLU H . . 5.500 5.530 5.502 5.557 0.057 5 0 "[ . 1 . 2]" 1
261 1 23 LEU HB3 1 45 PHE QE . . 3.640 3.196 2.853 3.394 . 0 0 "[ . 1 . 2]" 1
262 1 23 LEU HB3 1 51 VAL QG . . 3.740 3.273 2.949 3.472 . 0 0 "[ . 1 . 2]" 1
263 1 23 LEU HB3 1 53 HIS HA . . 4.080 2.777 2.692 2.847 . 0 0 "[ . 1 . 2]" 1
264 1 23 LEU HB3 1 53 HIS HD2 . . 3.300 2.208 2.131 2.305 . 0 0 "[ . 1 . 2]" 1
265 1 23 LEU HB3 1 101 PHE HZ . . 4.960 4.158 4.029 4.282 . 0 0 "[ . 1 . 2]" 1
266 1 23 LEU QD 1 24 VAL H . . 3.250 2.322 2.204 2.436 . 0 0 "[ . 1 . 2]" 1
267 1 23 LEU QD 1 24 VAL HA . . 4.450 4.284 4.230 4.358 . 0 0 "[ . 1 . 2]" 1
268 1 23 LEU QD 1 24 VAL QG . . 4.210 3.955 3.878 4.039 . 0 0 "[ . 1 . 2]" 1
269 1 23 LEU QD 1 25 GLU H . . 4.960 4.546 4.484 4.601 . 0 0 "[ . 1 . 2]" 1
270 1 23 LEU QD 1 25 GLU HA . . 4.680 4.154 4.071 4.249 . 0 0 "[ . 1 . 2]" 1
271 1 23 LEU QD 1 41 LEU HA . . 5.440 4.796 4.628 4.894 . 0 0 "[ . 1 . 2]" 1
272 1 23 LEU QD 1 41 LEU QD . . 2.980 2.068 2.003 2.130 . 0 0 "[ . 1 . 2]" 1
273 1 23 LEU QD 1 41 LEU HG . . 4.400 3.344 3.249 3.472 . 0 0 "[ . 1 . 2]" 1
274 1 23 LEU QD 1 45 PHE QD . . 3.940 3.715 3.429 3.848 . 0 0 "[ . 1 . 2]" 1
275 1 23 LEU QD 1 45 PHE QE . . 2.920 2.275 2.120 2.527 . 0 0 "[ . 1 . 2]" 1
276 1 23 LEU QD 1 51 VAL QG . . 4.610 3.382 3.203 3.543 . 0 0 "[ . 1 . 2]" 1
277 1 23 LEU QD 1 53 HIS HA . . 4.080 4.118 4.030 4.203 0.123 2 0 "[ . 1 . 2]" 1
278 1 23 LEU QD 1 53 HIS HD2 . . 2.970 2.897 2.727 3.007 0.037 2 0 "[ . 1 . 2]" 1
279 1 23 LEU QD 1 53 HIS HE1 . . 3.980 4.126 4.020 4.261 0.281 8 0 "[ . 1 . 2]" 1
280 1 23 LEU QD 1 76 PHE H . . 4.660 4.322 4.287 4.368 . 0 0 "[ . 1 . 2]" 1
281 1 23 LEU QD 1 76 PHE HB3 . . 3.850 3.135 3.086 3.179 . 0 0 "[ . 1 . 2]" 1
282 1 23 LEU QD 1 76 PHE QD . . 3.380 2.050 2.011 2.076 . 0 0 "[ . 1 . 2]" 1
283 1 23 LEU QD 1 76 PHE QE . . 3.820 3.529 3.490 3.573 . 0 0 "[ . 1 . 2]" 1
284 1 23 LEU QD 1 76 PHE HZ . . 5.440 4.978 4.932 5.015 . 0 0 "[ . 1 . 2]" 1
285 1 23 LEU QD 1 77 VAL H . . 3.480 2.862 2.750 2.974 . 0 0 "[ . 1 . 2]" 1
286 1 23 LEU QD 1 77 VAL HB . . 5.110 4.266 4.213 4.331 . 0 0 "[ . 1 . 2]" 1
287 1 23 LEU QD 1 78 PHE H . . 4.700 3.306 3.257 3.353 . 0 0 "[ . 1 . 2]" 1
288 1 23 LEU QD 1 78 PHE HA . . 3.520 2.293 2.242 2.368 . 0 0 "[ . 1 . 2]" 1
289 1 23 LEU QD 1 78 PHE HB3 . . 5.440 3.579 3.533 3.614 . 0 0 "[ . 1 . 2]" 1
290 1 23 LEU QD 1 78 PHE HD1 . . 3.160 2.975 2.930 3.026 . 0 0 "[ . 1 . 2]" 1
291 1 23 LEU QD 1 78 PHE HD2 . . 3.480 2.967 2.908 3.023 . 0 0 "[ . 1 . 2]" 1
292 1 23 LEU QD 1 78 PHE QE . . 3.010 2.379 2.301 2.419 . 0 0 "[ . 1 . 2]" 1
293 1 23 LEU QD 1 78 PHE HZ . . 4.450 2.685 2.641 2.711 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU QD 1 79 LEU H . . 4.730 3.878 3.805 3.950 . 0 0 "[ . 1 . 2]" 1
295 1 23 LEU QD 1 86 ALA MB . . 5.440 4.799 4.784 4.816 . 0 0 "[ . 1 . 2]" 1
296 1 23 LEU QD 1 88 VAL H . . 4.780 3.928 3.893 3.969 . 0 0 "[ . 1 . 2]" 1
297 1 23 LEU QD 1 88 VAL HB . . 4.330 3.967 3.925 4.018 . 0 0 "[ . 1 . 2]" 1
298 1 23 LEU QD 1 88 VAL MG2 . . 4.400 3.970 3.956 3.982 . 0 0 "[ . 1 . 2]" 1
299 1 23 LEU QD 1 97 LEU QD . . 4.360 3.149 3.103 3.208 . 0 0 "[ . 1 . 2]" 1
300 1 23 LEU QD 1 100 ALA MB . . 5.350 4.615 4.551 4.667 . 0 0 "[ . 1 . 2]" 1
301 1 23 LEU QD 1 101 PHE HA . . 5.440 4.761 4.640 4.828 . 0 0 "[ . 1 . 2]" 1
302 1 23 LEU QD 1 101 PHE QD . . 4.060 3.779 3.735 3.820 . 0 0 "[ . 1 . 2]" 1
303 1 23 LEU QD 1 101 PHE QE . . 3.350 2.409 2.367 2.456 . 0 0 "[ . 1 . 2]" 1
304 1 23 LEU QD 1 101 PHE HZ . . 3.110 2.074 2.045 2.126 . 0 0 "[ . 1 . 2]" 1
305 1 23 LEU QD 1 104 LEU HG . . 5.440 5.009 4.982 5.054 . 0 0 "[ . 1 . 2]" 1
306 1 23 LEU MD1 1 24 VAL HA . . 5.500 4.455 4.393 4.552 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU MD1 1 53 HIS HA . . 5.170 5.210 5.180 5.239 0.069 9 0 "[ . 1 . 2]" 1
308 1 23 LEU MD1 1 53 HIS HD2 . . 4.130 4.108 4.044 4.189 0.059 7 0 "[ . 1 . 2]" 1
309 1 23 LEU MD1 1 76 PHE HB3 . . 5.220 3.486 3.454 3.521 . 0 0 "[ . 1 . 2]" 1
310 1 23 LEU MD1 1 76 PHE QD . . 4.190 2.204 2.144 2.250 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU MD1 1 76 PHE QE . . 4.380 4.266 4.204 4.319 . 0 0 "[ . 1 . 2]" 1
312 1 23 LEU MD1 1 78 PHE HD2 . . 4.300 3.091 3.021 3.150 . 0 0 "[ . 1 . 2]" 1
313 1 23 LEU MD1 1 78 PHE QE . . 3.910 2.757 2.712 2.784 . 0 0 "[ . 1 . 2]" 1
314 1 23 LEU MD1 1 101 PHE QD . . 5.190 5.066 5.003 5.106 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU MD1 1 101 PHE QE . . 4.180 4.031 3.989 4.071 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU MD1 1 101 PHE HZ . . 4.450 4.461 4.449 4.481 0.031 7 0 "[ . 1 . 2]" 1
317 1 23 LEU MD2 1 24 VAL HA . . 5.500 5.561 5.515 5.612 0.112 13 0 "[ . 1 . 2]" 1
318 1 23 LEU MD2 1 53 HIS HA . . 5.170 4.315 4.197 4.429 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU MD2 1 53 HIS HD2 . . 4.130 2.962 2.771 3.094 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU MD2 1 76 PHE HB3 . . 5.220 3.555 3.440 3.648 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU MD2 1 76 PHE QD . . 4.190 2.442 2.373 2.532 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU MD2 1 76 PHE QE . . 4.380 3.764 3.696 3.814 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU MD2 1 78 PHE HD2 . . 4.300 3.829 3.700 3.919 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU MD2 1 78 PHE QE . . 3.910 2.602 2.464 2.680 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU MD2 1 101 PHE QD . . 5.190 3.900 3.851 3.957 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU MD2 1 101 PHE QE . . 4.180 2.428 2.384 2.477 . 0 0 "[ . 1 . 2]" 1
327 1 23 LEU MD2 1 101 PHE HZ . . 4.450 2.078 2.048 2.130 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU HG 1 24 VAL H . . 4.130 3.367 3.231 3.447 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU HG 1 24 VAL HA . . 4.330 4.277 4.208 4.349 0.019 13 0 "[ . 1 . 2]" 1
330 1 23 LEU HG 1 25 GLU H . . 5.280 4.291 4.188 4.376 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU HG 1 41 LEU QD . . 4.660 3.983 3.884 4.064 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU HG 1 53 HIS HA . . 4.550 4.340 4.281 4.384 . 0 0 "[ . 1 . 2]" 1
333 1 23 LEU HG 1 53 HIS HD2 . . 2.960 2.582 2.495 2.678 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU HG 1 76 PHE QD . . 4.980 3.964 3.883 3.995 . 0 0 "[ . 1 . 2]" 1
335 1 23 LEU HG 1 77 VAL H . . 5.500 4.404 4.292 4.483 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU HG 1 101 PHE HZ . . 5.220 4.679 4.625 4.782 . 0 0 "[ . 1 . 2]" 1
337 1 24 VAL H 1 24 VAL HB . . 4.020 2.654 2.586 2.728 . 0 0 "[ . 1 . 2]" 1
338 1 24 VAL H 1 24 VAL MG1 . . 4.030 3.899 3.879 3.922 . 0 0 "[ . 1 . 2]" 1
339 1 24 VAL H 1 24 VAL MG2 . . 4.030 2.542 2.413 2.632 . 0 0 "[ . 1 . 2]" 1
340 1 24 VAL H 1 25 GLU H . . 4.530 4.320 4.273 4.360 . 0 0 "[ . 1 . 2]" 1
341 1 24 VAL H 1 25 GLU HA . . 5.070 5.020 4.894 5.081 0.011 8 0 "[ . 1 . 2]" 1
342 1 24 VAL H 1 77 VAL H . . 3.880 3.161 3.108 3.204 . 0 0 "[ . 1 . 2]" 1
343 1 24 VAL H 1 77 VAL HB . . 4.250 3.781 3.660 3.934 . 0 0 "[ . 1 . 2]" 1
344 1 24 VAL H 1 77 VAL QG . . 4.610 4.139 4.057 4.209 . 0 0 "[ . 1 . 2]" 1
345 1 24 VAL H 1 78 PHE H . . 5.030 4.852 4.812 4.920 . 0 0 "[ . 1 . 2]" 1
346 1 24 VAL H 1 78 PHE HA . . 3.830 3.519 3.429 3.619 . 0 0 "[ . 1 . 2]" 1
347 1 24 VAL H 1 79 LEU H . . 4.720 3.973 3.856 4.264 . 0 0 "[ . 1 . 2]" 1
348 1 24 VAL HA 1 24 VAL MG1 . . 3.410 2.373 2.322 2.437 . 0 0 "[ . 1 . 2]" 1
349 1 24 VAL HA 1 24 VAL QG . . 2.980 2.165 2.130 2.194 . 0 0 "[ . 1 . 2]" 1
350 1 24 VAL HA 1 24 VAL MG2 . . 3.410 2.500 2.437 2.568 . 0 0 "[ . 1 . 2]" 1
351 1 24 VAL HA 1 25 GLU H . . 3.330 2.089 2.050 2.126 . 0 0 "[ . 1 . 2]" 1
352 1 24 VAL HA 1 53 HIS HA . . 5.500 4.521 4.377 4.694 . 0 0 "[ . 1 . 2]" 1
353 1 24 VAL HA 1 53 HIS HD2 . . 4.210 4.015 3.831 4.221 0.011 13 0 "[ . 1 . 2]" 1
354 1 24 VAL HA 1 54 LEU HB3 . . 4.670 2.379 2.218 2.592 . 0 0 "[ . 1 . 2]" 1
355 1 24 VAL HA 1 64 LEU QD . . 5.440 5.127 4.909 5.389 . 0 0 "[ . 1 . 2]" 1
356 1 24 VAL HA 1 76 PHE HB3 . . 5.500 5.570 5.511 5.599 0.099 3 0 "[ . 1 . 2]" 1
357 1 24 VAL HB 1 25 GLU H . . 4.580 4.295 4.206 4.346 . 0 0 "[ . 1 . 2]" 1
358 1 24 VAL HB 1 26 PHE QE . . 4.390 3.790 3.226 4.235 . 0 0 "[ . 1 . 2]" 1
359 1 24 VAL HB 1 64 LEU QD . . 4.430 4.495 4.175 4.907 0.477 7 0 "[ . 1 . 2]" 1
360 1 24 VAL HB 1 68 PHE QE . . 4.220 3.968 3.479 4.275 0.055 14 0 "[ . 1 . 2]" 1
361 1 24 VAL HB 1 68 PHE HZ . . 4.490 3.857 3.407 4.159 . 0 0 "[ . 1 . 2]" 1
362 1 24 VAL HB 1 77 VAL H . . 4.290 3.319 3.172 3.430 . 0 0 "[ . 1 . 2]" 1
363 1 24 VAL HB 1 77 VAL HB . . 3.910 2.828 2.731 3.016 . 0 0 "[ . 1 . 2]" 1
364 1 24 VAL HB 1 77 VAL MG1 . . 4.880 4.190 4.056 4.355 . 0 0 "[ . 1 . 2]" 1
365 1 24 VAL HB 1 77 VAL MG2 . . 4.880 4.052 3.886 4.236 . 0 0 "[ . 1 . 2]" 1
366 1 24 VAL QG 1 25 GLU H . . 3.710 2.915 2.805 2.981 . 0 0 "[ . 1 . 2]" 1
367 1 24 VAL QG 1 26 PHE H . . 4.800 4.669 4.544 4.826 0.026 13 0 "[ . 1 . 2]" 1
368 1 24 VAL QG 1 26 PHE QE . . 3.170 2.610 2.307 2.957 . 0 0 "[ . 1 . 2]" 1
369 1 24 VAL QG 1 26 PHE HZ . . 5.340 2.654 2.323 3.194 . 0 0 "[ . 1 . 2]" 1
370 1 24 VAL QG 1 54 LEU HG . . 5.070 3.095 2.431 4.311 . 0 0 "[ . 1 . 2]" 1
371 1 24 VAL QG 1 56 VAL H . . 5.070 4.020 3.807 4.191 . 0 0 "[ . 1 . 2]" 1
372 1 24 VAL QG 1 56 VAL QG . . 3.600 2.209 2.045 2.513 . 0 0 "[ . 1 . 2]" 1
373 1 24 VAL QG 1 68 PHE QE . . 3.900 2.866 2.624 3.095 . 0 0 "[ . 1 . 2]" 1
374 1 24 VAL QG 1 79 LEU H . . 4.510 3.859 3.591 4.216 . 0 0 "[ . 1 . 2]" 1
375 1 24 VAL MG1 1 68 PHE QE . . 4.990 3.023 2.696 3.238 . 0 0 "[ . 1 . 2]" 1
376 1 24 VAL MG1 1 77 VAL H . . 4.610 4.200 4.076 4.324 . 0 0 "[ . 1 . 2]" 1
377 1 24 VAL MG2 1 68 PHE QE . . 4.990 3.596 3.272 3.976 . 0 0 "[ . 1 . 2]" 1
378 1 24 VAL MG2 1 77 VAL H . . 4.610 4.574 4.442 4.644 0.034 1 0 "[ . 1 . 2]" 1
379 1 25 GLU H 1 25 GLU HB3 . . 3.700 2.351 2.185 2.466 . 0 0 "[ . 1 . 2]" 1
380 1 25 GLU H 1 25 GLU HG3 . . 4.940 4.479 4.097 4.684 . 0 0 "[ . 1 . 2]" 1
381 1 25 GLU H 1 26 PHE HA . . 5.190 5.163 5.108 5.207 0.017 14 0 "[ . 1 . 2]" 1
382 1 25 GLU H 1 53 HIS HD2 . . 4.400 3.943 3.825 4.040 . 0 0 "[ . 1 . 2]" 1
383 1 25 GLU H 1 54 LEU QD . . 5.440 4.230 3.928 4.440 . 0 0 "[ . 1 . 2]" 1
384 1 25 GLU H 1 55 LYS HA . . 4.020 3.424 3.242 3.607 . 0 0 "[ . 1 . 2]" 1
385 1 25 GLU H 1 56 VAL H . . 4.730 3.494 3.332 3.630 . 0 0 "[ . 1 . 2]" 1
386 1 25 GLU H 1 56 VAL QG . . 4.490 3.417 3.175 3.682 . 0 0 "[ . 1 . 2]" 1
387 1 25 GLU H 1 77 VAL H . . 5.430 4.917 4.866 4.990 . 0 0 "[ . 1 . 2]" 1
388 1 25 GLU HA 1 26 PHE H . . 3.160 2.147 2.117 2.175 . 0 0 "[ . 1 . 2]" 1
389 1 25 GLU HA 1 26 PHE HA . . 5.300 4.460 4.438 4.486 . 0 0 "[ . 1 . 2]" 1
390 1 25 GLU HA 1 26 PHE QD . . 4.470 3.995 3.433 4.391 . 0 0 "[ . 1 . 2]" 1
391 1 25 GLU HA 1 53 HIS HD2 . . 5.290 5.324 5.190 5.384 0.094 20 0 "[ . 1 . 2]" 1
392 1 25 GLU HA 1 56 VAL H . . 5.500 4.861 4.801 4.908 . 0 0 "[ . 1 . 2]" 1
393 1 25 GLU HA 1 75 THR MG . . 5.500 5.044 4.861 5.236 . 0 0 "[ . 1 . 2]" 1
394 1 25 GLU HA 1 76 PHE QD . . 4.130 3.753 3.655 3.835 . 0 0 "[ . 1 . 2]" 1
395 1 25 GLU HB3 1 26 PHE H . . 4.610 4.316 4.161 4.451 . 0 0 "[ . 1 . 2]" 1
396 1 26 PHE H 1 26 PHE QD . . 3.970 2.880 2.607 3.176 . 0 0 "[ . 1 . 2]" 1
397 1 26 PHE H 1 26 PHE QE . . 5.080 4.482 4.235 4.720 . 0 0 "[ . 1 . 2]" 1
398 1 26 PHE H 1 27 GLY H . . 4.450 4.455 4.365 4.494 0.044 17 0 "[ . 1 . 2]" 1
399 1 26 PHE H 1 56 VAL H . . 5.430 4.872 4.815 4.937 . 0 0 "[ . 1 . 2]" 1
400 1 26 PHE H 1 70 VAL QG . . 5.440 4.484 4.160 4.795 . 0 0 "[ . 1 . 2]" 1
401 1 26 PHE H 1 75 THR H . . 4.110 3.454 3.215 3.760 . 0 0 "[ . 1 . 2]" 1
402 1 26 PHE H 1 75 THR HA . . 5.500 5.181 5.050 5.339 . 0 0 "[ . 1 . 2]" 1
403 1 26 PHE H 1 75 THR MG . . 5.010 4.636 4.448 4.833 . 0 0 "[ . 1 . 2]" 1
404 1 26 PHE H 1 76 PHE H . . 5.380 5.024 4.908 5.158 . 0 0 "[ . 1 . 2]" 1
405 1 26 PHE H 1 76 PHE QD . . 5.340 4.084 3.935 4.246 . 0 0 "[ . 1 . 2]" 1
406 1 26 PHE H 1 77 VAL H . . 4.950 4.900 4.775 4.987 0.037 3 0 "[ . 1 . 2]" 1
407 1 26 PHE HA 1 26 PHE QD . . 3.240 2.675 2.382 2.846 . 0 0 "[ . 1 . 2]" 1
408 1 26 PHE HA 1 26 PHE QE . . 4.860 4.633 4.519 4.774 . 0 0 "[ . 1 . 2]" 1
409 1 26 PHE HA 1 27 GLY H . . 3.120 2.166 2.146 2.193 . 0 0 "[ . 1 . 2]" 1
410 1 26 PHE HA 1 56 VAL H . . 4.300 3.412 3.294 3.605 . 0 0 "[ . 1 . 2]" 1
411 1 26 PHE HA 1 56 VAL HB . . 3.520 2.535 2.280 2.979 . 0 0 "[ . 1 . 2]" 1
412 1 26 PHE HA 1 56 VAL MG1 . . 4.320 3.768 3.542 4.114 . 0 0 "[ . 1 . 2]" 1
413 1 26 PHE HA 1 56 VAL QG . . 3.680 3.428 3.251 3.717 0.037 14 0 "[ . 1 . 2]" 1
414 1 26 PHE HA 1 56 VAL MG2 . . 4.320 3.947 3.719 4.336 0.016 14 0 "[ . 1 . 2]" 1
415 1 26 PHE QD 1 56 VAL HB . . 4.370 2.360 2.181 2.521 . 0 0 "[ . 1 . 2]" 1
416 1 26 PHE QD 1 56 VAL MG1 . . 3.720 2.716 2.440 3.200 . 0 0 "[ . 1 . 2]" 1
417 1 26 PHE QD 1 56 VAL QG . . 3.060 2.546 2.283 2.956 . 0 0 "[ . 1 . 2]" 1
418 1 26 PHE QD 1 56 VAL MG2 . . 3.720 3.170 2.621 3.564 . 0 0 "[ . 1 . 2]" 1
419 1 26 PHE QD 1 64 LEU QD . . 3.630 4.014 3.419 4.620 0.990 3 9 "[ + .** 1**- * * *2]" 1
420 1 26 PHE QD 1 64 LEU HG . . 5.170 4.649 4.334 4.981 . 0 0 "[ . 1 . 2]" 1
421 1 26 PHE QD 1 65 GLY HA2 . . 4.190 3.648 3.406 3.833 . 0 0 "[ . 1 . 2]" 1
422 1 26 PHE QD 1 70 VAL MG1 . . 3.690 3.347 3.053 3.680 . 0 0 "[ . 1 . 2]" 1
423 1 26 PHE QD 1 70 VAL QG . . 3.000 2.402 2.256 2.558 . 0 0 "[ . 1 . 2]" 1
424 1 26 PHE QD 1 70 VAL MG2 . . 3.690 2.466 2.314 2.623 . 0 0 "[ . 1 . 2]" 1
425 1 26 PHE QD 1 75 THR H . . 5.000 3.857 3.187 4.327 . 0 0 "[ . 1 . 2]" 1
426 1 26 PHE QD 1 75 THR HA . . 5.070 4.920 4.662 5.125 0.055 7 0 "[ . 1 . 2]" 1
427 1 26 PHE QD 1 75 THR HB . . 3.950 2.912 2.381 3.442 . 0 0 "[ . 1 . 2]" 1
428 1 26 PHE QD 1 75 THR MG . . 3.430 2.986 2.777 3.254 . 0 0 "[ . 1 . 2]" 1
429 1 26 PHE QD 1 77 VAL QG . . 4.050 3.482 3.078 3.884 . 0 0 "[ . 1 . 2]" 1
430 1 26 PHE QE 1 56 VAL MG1 . . 4.060 3.155 2.280 4.064 0.004 16 0 "[ . 1 . 2]" 1
431 1 26 PHE QE 1 56 VAL QG . . 3.510 2.508 2.136 3.145 . 0 0 "[ . 1 . 2]" 1
432 1 26 PHE QE 1 56 VAL MG2 . . 4.060 2.691 2.368 3.327 . 0 0 "[ . 1 . 2]" 1
433 1 26 PHE QE 1 64 LEU MD1 . . 4.130 4.093 3.932 4.172 0.042 4 0 "[ . 1 . 2]" 1
434 1 26 PHE QE 1 64 LEU QD . . 2.680 2.488 2.143 3.013 0.333 3 0 "[ . 1 . 2]" 1
435 1 26 PHE QE 1 64 LEU MD2 . . 4.130 2.517 2.151 3.093 . 0 0 "[ . 1 . 2]" 1
436 1 26 PHE QE 1 64 LEU HG . . 3.850 2.525 2.275 2.800 . 0 0 "[ . 1 . 2]" 1
437 1 26 PHE QE 1 65 GLY H . . 4.890 3.431 2.955 4.108 . 0 0 "[ . 1 . 2]" 1
438 1 26 PHE QE 1 65 GLY HA2 . . 4.070 3.202 2.889 3.427 . 0 0 "[ . 1 . 2]" 1
439 1 26 PHE QE 1 65 GLY HA3 . . 5.200 3.928 3.604 4.266 . 0 0 "[ . 1 . 2]" 1
440 1 26 PHE QE 1 68 PHE H . . 5.500 5.018 4.877 5.186 . 0 0 "[ . 1 . 2]" 1
441 1 26 PHE QE 1 68 PHE QD . . 3.450 3.227 2.877 3.392 . 0 0 "[ . 1 . 2]" 1
442 1 26 PHE QE 1 68 PHE QE . . 3.860 3.634 3.140 3.927 0.067 19 0 "[ . 1 . 2]" 1
443 1 26 PHE QE 1 70 VAL QG . . 3.300 2.678 2.233 3.031 . 0 0 "[ . 1 . 2]" 1
444 1 26 PHE QE 1 77 VAL H . . 4.630 3.514 3.078 3.968 . 0 0 "[ . 1 . 2]" 1
445 1 26 PHE QE 1 77 VAL HA . . 5.330 5.102 4.799 5.291 . 0 0 "[ . 1 . 2]" 1
446 1 26 PHE QE 1 77 VAL HB . . 4.050 3.404 2.913 4.052 0.002 20 0 "[ . 1 . 2]" 1
447 1 26 PHE QE 1 77 VAL MG1 . . 4.590 4.337 4.116 4.552 . 0 0 "[ . 1 . 2]" 1
448 1 26 PHE QE 1 77 VAL QG . . 3.350 2.111 1.994 2.290 . 0 0 "[ . 1 . 2]" 1
449 1 26 PHE QE 1 77 VAL MG2 . . 4.590 2.116 1.997 2.300 . 0 0 "[ . 1 . 2]" 1
450 1 26 PHE HZ 1 68 PHE HA . . 5.500 5.445 5.233 5.571 0.071 11 0 "[ . 1 . 2]" 1
451 1 26 PHE HZ 1 68 PHE HZ . . 5.500 4.192 3.763 4.483 . 0 0 "[ . 1 . 2]" 1
452 1 27 GLY H 1 28 THR H . . 4.540 4.349 4.281 4.411 . 0 0 "[ . 1 . 2]" 1
453 1 27 GLY H 1 28 THR HA . . 4.870 4.735 4.652 4.831 . 0 0 "[ . 1 . 2]" 1
454 1 27 GLY H 1 28 THR MG . . 4.310 4.325 4.294 4.359 0.049 17 0 "[ . 1 . 2]" 1
455 1 27 GLY H 1 56 VAL H . . 4.510 4.389 4.203 4.536 0.026 17 0 "[ . 1 . 2]" 1
456 1 27 GLY H 1 56 VAL HA . . 5.500 5.379 5.229 5.533 0.033 4 0 "[ . 1 . 2]" 1
457 1 27 GLY H 1 56 VAL HB . . 5.130 3.925 3.676 4.317 . 0 0 "[ . 1 . 2]" 1
458 1 27 GLY H 1 56 VAL QG . . 4.250 4.113 3.939 4.341 0.091 14 0 "[ . 1 . 2]" 1
459 1 27 GLY H 1 57 GLU HA . . 4.360 3.662 3.444 3.894 . 0 0 "[ . 1 . 2]" 1
460 1 27 GLY H 1 58 ASP H . . 4.200 2.875 2.406 3.605 . 0 0 "[ . 1 . 2]" 1
461 1 27 GLY QA 1 28 THR H . . 3.020 2.234 2.198 2.297 . 0 0 "[ . 1 . 2]" 1
462 1 27 GLY QA 1 28 THR MG . . 4.550 3.455 3.342 3.579 . 0 0 "[ . 1 . 2]" 1
463 1 27 GLY QA 1 73 TRP HE3 . . 4.810 3.925 3.682 4.290 . 0 0 "[ . 1 . 2]" 1
464 1 27 GLY QA 1 73 TRP HZ2 . . 5.320 3.250 3.083 3.397 . 0 0 "[ . 1 . 2]" 1
465 1 27 GLY QA 1 73 TRP HZ3 . . 3.740 3.213 3.096 3.407 . 0 0 "[ . 1 . 2]" 1
466 1 27 GLY QA 1 74 PRO HA . . 4.400 3.933 3.682 4.213 . 0 0 "[ . 1 . 2]" 1
467 1 27 GLY HA2 1 28 THR MG . . 5.300 3.630 3.493 3.778 . 0 0 "[ . 1 . 2]" 1
468 1 27 GLY HA2 1 73 TRP HZ3 . . 4.350 3.396 3.240 3.582 . 0 0 "[ . 1 . 2]" 1
469 1 27 GLY HA2 1 74 PRO HA . . 5.140 4.420 4.097 4.849 . 0 0 "[ . 1 . 2]" 1
470 1 27 GLY HA3 1 28 THR MG . . 5.300 4.333 4.244 4.462 . 0 0 "[ . 1 . 2]" 1
471 1 27 GLY HA3 1 73 TRP HZ3 . . 4.350 4.030 3.560 4.387 0.037 16 0 "[ . 1 . 2]" 1
472 1 27 GLY HA3 1 74 PRO HA . . 5.140 4.440 4.100 4.845 . 0 0 "[ . 1 . 2]" 1
473 1 28 THR H 1 28 THR HB . . 4.170 3.960 3.925 3.988 . 0 0 "[ . 1 . 2]" 1
474 1 28 THR H 1 28 THR MG . . 3.810 3.240 3.095 3.358 . 0 0 "[ . 1 . 2]" 1
475 1 28 THR H 1 29 ASP H . . 4.430 4.396 4.364 4.426 . 0 0 "[ . 1 . 2]" 1
476 1 28 THR H 1 29 ASP HA . . 4.910 4.784 4.653 4.914 0.004 12 0 "[ . 1 . 2]" 1
477 1 28 THR H 1 30 TRP H . . 4.560 4.300 4.162 4.426 . 0 0 "[ . 1 . 2]" 1
478 1 28 THR H 1 31 CYS H . . 4.440 3.944 3.874 4.020 . 0 0 "[ . 1 . 2]" 1
479 1 28 THR H 1 31 CYS QB . . 3.440 3.453 3.339 3.509 0.069 20 0 "[ . 1 . 2]" 1
480 1 28 THR H 1 34 CYS HA . . 5.240 4.991 4.783 5.165 . 0 0 "[ . 1 . 2]" 1
481 1 28 THR H 1 58 ASP H . . 5.500 4.997 4.767 5.266 . 0 0 "[ . 1 . 2]" 1
482 1 28 THR HA 1 28 THR MG . . 2.870 2.411 2.366 2.450 . 0 0 "[ . 1 . 2]" 1
483 1 28 THR HA 1 29 ASP H . . 3.460 2.581 2.501 2.636 . 0 0 "[ . 1 . 2]" 1
484 1 28 THR HA 1 30 TRP H . . 4.560 4.078 4.028 4.134 . 0 0 "[ . 1 . 2]" 1
485 1 28 THR HA 1 30 TRP HE1 . . 5.010 4.959 4.863 5.020 0.010 9 0 "[ . 1 . 2]" 1
486 1 28 THR HA 1 58 ASP H . . 4.740 4.046 3.585 4.493 . 0 0 "[ . 1 . 2]" 1
487 1 28 THR HA 1 73 TRP HZ2 . . 5.500 5.262 4.983 5.429 . 0 0 "[ . 1 . 2]" 1
488 1 28 THR HB 1 29 ASP H . . 3.410 2.141 2.028 2.241 . 0 0 "[ . 1 . 2]" 1
489 1 28 THR HB 1 30 TRP H . . 3.820 2.680 2.571 2.777 . 0 0 "[ . 1 . 2]" 1
490 1 28 THR HB 1 30 TRP HD1 . . 3.410 3.218 3.142 3.278 . 0 0 "[ . 1 . 2]" 1
491 1 28 THR HB 1 30 TRP HE1 . . 3.840 2.857 2.769 2.908 . 0 0 "[ . 1 . 2]" 1
492 1 28 THR HB 1 30 TRP HZ2 . . 4.130 4.152 4.126 4.172 0.042 13 0 "[ . 1 . 2]" 1
493 1 28 THR HB 1 57 GLU HA . . 5.500 4.981 4.674 5.408 . 0 0 "[ . 1 . 2]" 1
494 1 28 THR HB 1 73 TRP HH2 . . 4.710 4.231 4.115 4.314 . 0 0 "[ . 1 . 2]" 1
495 1 28 THR MG 1 29 ASP H . . 3.850 3.658 3.574 3.736 . 0 0 "[ . 1 . 2]" 1
496 1 28 THR MG 1 30 TRP H . . 4.360 4.076 4.018 4.149 . 0 0 "[ . 1 . 2]" 1
497 1 28 THR MG 1 30 TRP HD1 . . 4.800 4.414 4.297 4.531 . 0 0 "[ . 1 . 2]" 1
498 1 28 THR MG 1 30 TRP HE1 . . 3.450 3.007 2.818 3.164 . 0 0 "[ . 1 . 2]" 1
499 1 28 THR MG 1 30 TRP HH2 . . 3.810 3.819 3.791 3.850 0.040 16 0 "[ . 1 . 2]" 1
500 1 28 THR MG 1 30 TRP HZ2 . . 3.020 2.501 2.374 2.622 . 0 0 "[ . 1 . 2]" 1
501 1 28 THR MG 1 31 CYS H . . 4.780 4.230 4.108 4.491 . 0 0 "[ . 1 . 2]" 1
502 1 28 THR MG 1 31 CYS QB . . 4.190 3.741 3.547 4.036 . 0 0 "[ . 1 . 2]" 1
503 1 28 THR MG 1 57 GLU HA . . 5.300 3.107 2.912 3.437 . 0 0 "[ . 1 . 2]" 1
504 1 28 THR MG 1 58 ASP H . . 3.790 2.864 2.246 3.364 . 0 0 "[ . 1 . 2]" 1
505 1 28 THR MG 1 59 GLY QA . . 5.390 3.336 2.111 4.970 . 0 0 "[ . 1 . 2]" 1
506 1 28 THR MG 1 73 TRP HH2 . . 3.270 2.306 2.146 2.517 . 0 0 "[ . 1 . 2]" 1
507 1 28 THR MG 1 73 TRP HZ2 . . 3.470 2.309 2.171 2.602 . 0 0 "[ . 1 . 2]" 1
508 1 28 THR MG 1 73 TRP HZ3 . . 4.820 4.495 4.307 4.699 . 0 0 "[ . 1 . 2]" 1
509 1 29 ASP H 1 29 ASP HB3 . . 3.730 2.629 2.409 2.776 . 0 0 "[ . 1 . 2]" 1
510 1 29 ASP H 1 30 TRP H . . 3.330 2.482 2.406 2.561 . 0 0 "[ . 1 . 2]" 1
511 1 29 ASP H 1 30 TRP HA . . 5.170 5.055 5.015 5.101 . 0 0 "[ . 1 . 2]" 1
512 1 29 ASP H 1 30 TRP HD1 . . 5.450 3.117 3.002 3.279 . 0 0 "[ . 1 . 2]" 1
513 1 29 ASP H 1 30 TRP HE1 . . 4.730 4.080 3.955 4.228 . 0 0 "[ . 1 . 2]" 1
514 1 29 ASP H 1 31 CYS H . . 4.640 4.417 4.352 4.455 . 0 0 "[ . 1 . 2]" 1
515 1 29 ASP H 1 57 GLU HG3 . . 5.310 3.921 3.389 5.244 . 0 0 "[ . 1 . 2]" 1
516 1 29 ASP HA 1 35 GLN QE . . 3.530 3.498 3.279 3.638 0.108 12 0 "[ . 1 . 2]" 1
517 1 29 ASP HB3 1 30 TRP H . . 4.810 3.874 3.286 4.433 . 0 0 "[ . 1 . 2]" 1
518 1 30 TRP H 1 30 TRP HB3 . . 3.660 3.155 3.045 3.263 . 0 0 "[ . 1 . 2]" 1
519 1 30 TRP H 1 30 TRP HD1 . . 3.520 3.196 2.995 3.329 . 0 0 "[ . 1 . 2]" 1
520 1 30 TRP H 1 30 TRP HE1 . . 4.610 4.494 4.319 4.628 0.018 6 0 "[ . 1 . 2]" 1
521 1 30 TRP H 1 30 TRP HE3 . . 4.670 4.393 4.321 4.455 . 0 0 "[ . 1 . 2]" 1
522 1 30 TRP H 1 31 CYS H . . 3.120 2.221 2.112 2.313 . 0 0 "[ . 1 . 2]" 1
523 1 30 TRP H 1 35 GLN QE . . 3.910 3.498 3.410 3.581 . 0 0 "[ . 1 . 2]" 1
524 1 30 TRP HA 1 35 GLN HE21 . . 3.530 3.200 2.889 3.347 . 0 0 "[ . 1 . 2]" 1
525 1 30 TRP HA 1 35 GLN HE22 . . 3.530 2.664 2.527 2.775 . 0 0 "[ . 1 . 2]" 1
526 1 30 TRP HB3 1 30 TRP HD1 . . 2.910 2.568 2.545 2.590 . 0 0 "[ . 1 . 2]" 1
527 1 30 TRP HB3 1 31 CYS H . . 5.070 4.485 4.439 4.534 . 0 0 "[ . 1 . 2]" 1
528 1 30 TRP HB3 1 35 GLN QE . . 4.460 4.433 4.308 4.489 0.029 16 0 "[ . 1 . 2]" 1
529 1 30 TRP HD1 1 31 CYS H . . 5.210 5.030 4.905 5.137 . 0 0 "[ . 1 . 2]" 1
530 1 30 TRP HE3 1 31 CYS QB . . 5.340 3.688 3.439 3.862 . 0 0 "[ . 1 . 2]" 1
531 1 30 TRP HH2 1 31 CYS QB . . 5.340 4.689 4.261 4.937 . 0 0 "[ . 1 . 2]" 1
532 1 30 TRP HZ2 1 73 TRP HZ2 . . 5.330 5.351 5.286 5.382 0.052 1 0 "[ . 1 . 2]" 1
533 1 30 TRP HZ3 1 31 CYS HA . . 4.620 3.746 3.506 3.953 . 0 0 "[ . 1 . 2]" 1
534 1 31 CYS H 1 31 CYS HB2 . . 3.320 2.619 2.559 2.664 . 0 0 "[ . 1 . 2]" 1
535 1 31 CYS H 1 31 CYS HB3 . . 3.320 2.485 2.419 2.545 . 0 0 "[ . 1 . 2]" 1
536 1 31 CYS H 1 32 GLY H . . 5.110 4.659 4.637 4.679 . 0 0 "[ . 1 . 2]" 1
537 1 31 CYS H 1 34 CYS H . . 4.650 4.378 4.282 4.478 . 0 0 "[ . 1 . 2]" 1
538 1 31 CYS H 1 34 CYS HB3 . . 4.170 4.184 4.055 4.219 0.049 1 0 "[ . 1 . 2]" 1
539 1 31 CYS H 1 35 GLN QE . . 3.900 3.167 3.011 3.511 . 0 0 "[ . 1 . 2]" 1
540 1 31 CYS HA 1 33 HIS H . . 4.590 4.042 3.938 4.159 . 0 0 "[ . 1 . 2]" 1
541 1 31 CYS HA 1 73 TRP HZ3 . . 5.240 4.927 4.716 5.147 . 0 0 "[ . 1 . 2]" 1
542 1 31 CYS QB 1 33 HIS H . . 5.040 3.467 3.316 3.685 . 0 0 "[ . 1 . 2]" 1
543 1 31 CYS QB 1 34 CYS H . . 5.200 2.616 2.500 2.765 . 0 0 "[ . 1 . 2]" 1
544 1 31 CYS QB 1 73 TRP HE3 . . 4.200 4.227 4.147 4.267 0.067 7 0 "[ . 1 . 2]" 1
545 1 31 CYS QB 1 73 TRP HH2 . . 4.050 2.499 2.253 3.075 . 0 0 "[ . 1 . 2]" 1
546 1 31 CYS HB2 1 73 TRP HH2 . . 4.750 2.712 2.371 3.334 . 0 0 "[ . 1 . 2]" 1
547 1 31 CYS HB3 1 73 TRP HH2 . . 4.750 2.960 2.546 3.605 . 0 0 "[ . 1 . 2]" 1
548 1 32 GLY H 1 33 HIS H . . 4.580 2.712 2.674 2.745 . 0 0 "[ . 1 . 2]" 1
549 1 32 GLY HA2 1 35 GLN H . . 3.880 3.086 2.991 3.158 . 0 0 "[ . 1 . 2]" 1
550 1 33 HIS H 1 33 HIS HB2 . . 4.070 2.421 2.067 2.595 . 0 0 "[ . 1 . 2]" 1
551 1 33 HIS H 1 33 HIS QB . . 3.430 2.382 2.035 2.541 . 0 0 "[ . 1 . 2]" 1
552 1 33 HIS H 1 33 HIS HB3 . . 4.070 3.557 3.042 3.637 . 0 0 "[ . 1 . 2]" 1
553 1 33 HIS H 1 33 HIS HD2 . . 4.370 4.415 4.381 4.479 0.109 16 0 "[ . 1 . 2]" 1
554 1 33 HIS H 1 34 CYS H . . 3.710 2.576 2.479 2.672 . 0 0 "[ . 1 . 2]" 1
555 1 33 HIS H 1 35 GLN H . . 4.530 4.031 3.990 4.061 . 0 0 "[ . 1 . 2]" 1
556 1 33 HIS H 1 36 ALA MB . . 5.280 5.299 5.181 5.330 0.050 4 0 "[ . 1 . 2]" 1
557 1 33 HIS HA 1 33 HIS HD2 . . 3.320 2.676 2.056 3.040 . 0 0 "[ . 1 . 2]" 1
558 1 33 HIS HA 1 35 GLN H . . 4.440 4.481 4.412 4.515 0.075 6 0 "[ . 1 . 2]" 1
559 1 33 HIS HA 1 36 ALA H . . 4.480 3.913 3.743 4.092 . 0 0 "[ . 1 . 2]" 1
560 1 33 HIS HA 1 36 ALA MB . . 3.570 3.254 3.073 3.403 . 0 0 "[ . 1 . 2]" 1
561 1 33 HIS QB 1 33 HIS HE1 . . 4.580 4.373 4.347 4.395 . 0 0 "[ . 1 . 2]" 1
562 1 33 HIS QB 1 34 CYS H . . 3.790 2.389 2.279 2.844 . 0 0 "[ . 1 . 2]" 1
563 1 33 HIS QB 1 74 PRO HA . . 5.340 4.193 3.921 4.978 . 0 0 "[ . 1 . 2]" 1
564 1 33 HIS QB 1 74 PRO HB3 . . 4.700 2.255 2.147 3.027 . 0 0 "[ . 1 . 2]" 1
565 1 33 HIS QB 1 74 PRO HD3 . . 3.510 3.084 2.498 3.535 0.025 9 0 "[ . 1 . 2]" 1
566 1 33 HIS HB2 1 74 PRO HD3 . . 4.120 3.750 3.453 4.162 0.042 16 0 "[ . 1 . 2]" 1
567 1 33 HIS HB3 1 74 PRO HD3 . . 4.120 3.324 2.563 4.024 . 0 0 "[ . 1 . 2]" 1
568 1 33 HIS HE1 1 72 LEU QD . . 5.250 4.005 2.134 4.668 . 0 0 "[ . 1 . 2]" 1
569 1 33 HIS HE1 1 73 TRP H . . 5.220 5.284 5.252 5.315 0.095 8 0 "[ . 1 . 2]" 1
570 1 34 CYS H 1 35 GLN H . . 3.830 2.758 2.615 2.828 . 0 0 "[ . 1 . 2]" 1
571 1 34 CYS H 1 36 ALA H . . 4.990 4.235 4.190 4.287 . 0 0 "[ . 1 . 2]" 1
572 1 34 CYS HA 1 37 ALA HA . . 5.310 5.186 5.046 5.381 0.071 16 0 "[ . 1 . 2]" 1
573 1 34 CYS HA 1 37 ALA MB . . 3.670 2.521 2.404 2.640 . 0 0 "[ . 1 . 2]" 1
574 1 34 CYS HA 1 74 PRO HB3 . . 4.670 4.253 3.184 4.671 0.001 2 0 "[ . 1 . 2]" 1
575 1 34 CYS HB3 1 35 GLN H . . 3.720 3.492 3.409 3.558 . 0 0 "[ . 1 . 2]" 1
576 1 34 CYS HB3 1 35 GLN HA . . 3.990 4.126 4.088 4.174 0.184 6 0 "[ . 1 . 2]" 1
577 1 34 CYS HB3 1 35 GLN HE21 . . 4.990 3.352 3.167 3.737 . 0 0 "[ . 1 . 2]" 1
578 1 34 CYS HB3 1 35 GLN HE22 . . 4.990 3.820 3.582 4.375 . 0 0 "[ . 1 . 2]" 1
579 1 35 GLN H 1 35 GLN HE21 . . 4.900 2.712 2.530 2.903 . 0 0 "[ . 1 . 2]" 1
580 1 35 GLN H 1 35 GLN QE . . 4.270 2.678 2.504 2.861 . 0 0 "[ . 1 . 2]" 1
581 1 35 GLN H 1 35 GLN HE22 . . 4.900 4.150 3.994 4.428 . 0 0 "[ . 1 . 2]" 1
582 1 35 GLN H 1 35 GLN HG3 . . 3.740 3.757 3.746 3.782 0.042 7 0 "[ . 1 . 2]" 1
583 1 35 GLN H 1 36 ALA H . . 3.450 2.677 2.604 2.764 . 0 0 "[ . 1 . 2]" 1
584 1 35 GLN H 1 36 ALA HA . . 5.500 5.411 5.344 5.460 . 0 0 "[ . 1 . 2]" 1
585 1 35 GLN H 1 36 ALA MB . . 4.540 4.328 4.253 4.377 . 0 0 "[ . 1 . 2]" 1
586 1 35 GLN H 1 37 ALA H . . 4.260 4.226 4.148 4.293 0.033 16 0 "[ . 1 . 2]" 1
587 1 35 GLN H 1 37 ALA MB . . 5.100 5.142 5.108 5.182 0.082 16 0 "[ . 1 . 2]" 1
588 1 35 GLN HA 1 35 GLN QE . . 4.310 3.277 3.019 3.454 . 0 0 "[ . 1 . 2]" 1
589 1 35 GLN HA 1 35 GLN HG3 . . 3.910 3.772 3.733 3.828 . 0 0 "[ . 1 . 2]" 1
590 1 35 GLN HA 1 37 ALA H . . 5.180 4.611 4.375 4.672 . 0 0 "[ . 1 . 2]" 1
591 1 35 GLN HA 1 38 GLN H . . 4.010 3.944 3.672 4.068 0.058 2 0 "[ . 1 . 2]" 1
592 1 35 GLN QE 1 35 GLN HG3 . . 3.360 3.199 3.156 3.228 . 0 0 "[ . 1 . 2]" 1
593 1 35 GLN HE22 1 35 GLN HG3 . . 3.870 3.975 3.945 3.996 0.126 6 0 "[ . 1 . 2]" 1
594 1 35 GLN HG3 1 36 ALA H . . 5.140 5.275 5.218 5.304 0.164 17 0 "[ . 1 . 2]" 1
595 1 36 ALA H 1 36 ALA MB . . 2.970 2.257 2.192 2.287 . 0 0 "[ . 1 . 2]" 1
596 1 36 ALA H 1 37 ALA H . . 3.330 2.379 2.307 2.464 . 0 0 "[ . 1 . 2]" 1
597 1 36 ALA H 1 37 ALA MB . . 4.510 4.127 4.058 4.188 . 0 0 "[ . 1 . 2]" 1
598 1 36 ALA H 1 38 GLN H . . 3.820 3.903 3.870 3.940 0.120 16 0 "[ . 1 . 2]" 1
599 1 36 ALA HA 1 37 ALA HA . . 4.730 4.727 4.701 4.741 0.011 8 0 "[ . 1 . 2]" 1
600 1 36 ALA HA 1 38 GLN H . . 4.650 4.624 4.513 4.677 0.027 4 0 "[ . 1 . 2]" 1
601 1 36 ALA MB 1 37 ALA H . . 3.210 2.644 2.565 2.699 . 0 0 "[ . 1 . 2]" 1
602 1 36 ALA MB 1 37 ALA HA . . 4.110 3.954 3.910 4.015 . 0 0 "[ . 1 . 2]" 1
603 1 36 ALA MB 1 38 GLN H . . 4.610 4.619 4.565 4.633 0.023 15 0 "[ . 1 . 2]" 1
604 1 37 ALA H 1 37 ALA MB . . 2.880 2.255 2.231 2.278 . 0 0 "[ . 1 . 2]" 1
605 1 37 ALA H 1 38 GLN H . . 3.370 2.548 2.427 2.599 . 0 0 "[ . 1 . 2]" 1
606 1 37 ALA H 1 38 GLN HA . . 5.210 5.192 5.076 5.227 0.017 11 0 "[ . 1 . 2]" 1
607 1 37 ALA H 1 40 LEU MD2 . . 5.500 5.144 5.061 5.278 . 0 0 "[ . 1 . 2]" 1
608 1 37 ALA HA 1 38 GLN HA . . 5.060 4.878 4.831 4.940 . 0 0 "[ . 1 . 2]" 1
609 1 37 ALA HA 1 40 LEU H . . 4.150 3.350 3.264 3.420 . 0 0 "[ . 1 . 2]" 1
610 1 37 ALA HA 1 40 LEU HB3 . . 3.650 2.932 2.808 3.013 . 0 0 "[ . 1 . 2]" 1
611 1 37 ALA HA 1 40 LEU MD2 . . 3.510 3.354 3.330 3.376 . 0 0 "[ . 1 . 2]" 1
612 1 37 ALA HA 1 41 LEU H . . 4.250 3.991 3.869 4.050 . 0 0 "[ . 1 . 2]" 1
613 1 37 ALA HA 1 97 LEU QD . . 4.720 4.051 3.994 4.114 . 0 0 "[ . 1 . 2]" 1
614 1 37 ALA MB 1 38 GLN H . . 3.550 2.850 2.794 2.898 . 0 0 "[ . 1 . 2]" 1
615 1 37 ALA MB 1 38 GLN HA . . 3.990 3.998 3.959 4.010 0.020 12 0 "[ . 1 . 2]" 1
616 1 37 ALA MB 1 40 LEU MD2 . . 4.460 4.476 4.450 4.500 0.040 16 0 "[ . 1 . 2]" 1
617 1 37 ALA MB 1 40 LEU HG . . 4.970 4.427 4.371 4.490 . 0 0 "[ . 1 . 2]" 1
618 1 37 ALA MB 1 41 LEU H . . 4.490 4.257 4.142 4.317 . 0 0 "[ . 1 . 2]" 1
619 1 37 ALA MB 1 74 PRO HA . . 5.180 4.629 4.166 4.910 . 0 0 "[ . 1 . 2]" 1
620 1 37 ALA MB 1 74 PRO HB3 . . 5.290 3.778 3.255 4.150 . 0 0 "[ . 1 . 2]" 1
621 1 37 ALA MB 1 97 LEU QD . . 4.060 3.804 3.753 3.842 . 0 0 "[ . 1 . 2]" 1
622 1 38 GLN H 1 38 GLN HB3 . . 3.700 3.561 3.529 3.580 . 0 0 "[ . 1 . 2]" 1
623 1 38 GLN H 1 38 GLN HG3 . . 4.000 2.843 2.581 3.962 . 0 0 "[ . 1 . 2]" 1
624 1 38 GLN H 1 40 LEU H . . 4.920 3.895 3.847 4.020 . 0 0 "[ . 1 . 2]" 1
625 1 38 GLN HA 1 41 LEU H . . 4.550 3.675 3.493 3.870 . 0 0 "[ . 1 . 2]" 1
626 1 38 GLN HB3 1 40 LEU H . . 4.960 5.044 5.017 5.071 0.111 6 0 "[ . 1 . 2]" 1
627 1 39 PRO HA 1 41 LEU H . . 5.030 4.671 4.611 4.740 . 0 0 "[ . 1 . 2]" 1
628 1 39 PRO HA 1 42 ALA H . . 4.180 3.327 3.239 3.466 . 0 0 "[ . 1 . 2]" 1
629 1 39 PRO HA 1 42 ALA MB . . 2.940 2.140 2.070 2.229 . 0 0 "[ . 1 . 2]" 1
630 1 39 PRO HB3 1 40 LEU H . . 4.550 4.418 4.382 4.448 . 0 0 "[ . 1 . 2]" 1
631 1 39 PRO HB3 1 42 ALA MB . . 5.250 3.960 3.824 4.091 . 0 0 "[ . 1 . 2]" 1
632 1 40 LEU H 1 40 LEU HB3 . . 3.740 3.020 2.934 3.063 . 0 0 "[ . 1 . 2]" 1
633 1 40 LEU H 1 40 LEU MD1 . . 4.260 4.261 4.233 4.276 0.016 6 0 "[ . 1 . 2]" 1
634 1 40 LEU H 1 40 LEU MD2 . . 3.570 3.551 3.457 3.602 0.032 7 0 "[ . 1 . 2]" 1
635 1 40 LEU H 1 40 LEU HG . . 5.000 4.521 4.475 4.557 . 0 0 "[ . 1 . 2]" 1
636 1 40 LEU H 1 41 LEU H . . 3.150 2.605 2.585 2.636 . 0 0 "[ . 1 . 2]" 1
637 1 40 LEU H 1 41 LEU HA . . 5.490 5.253 5.220 5.292 . 0 0 "[ . 1 . 2]" 1
638 1 40 LEU H 1 41 LEU QD . . 4.220 4.058 3.979 4.120 . 0 0 "[ . 1 . 2]" 1
639 1 40 LEU H 1 42 ALA H . . 4.580 3.836 3.767 3.888 . 0 0 "[ . 1 . 2]" 1
640 1 40 LEU H 1 42 ALA MB . . 5.280 4.395 4.271 4.451 . 0 0 "[ . 1 . 2]" 1
641 1 40 LEU H 1 97 LEU QD . . 5.190 4.599 4.534 4.630 . 0 0 "[ . 1 . 2]" 1
642 1 40 LEU HA 1 40 LEU MD1 . . 3.490 2.224 2.211 2.246 . 0 0 "[ . 1 . 2]" 1
643 1 40 LEU HA 1 40 LEU MD2 . . 2.780 2.465 2.403 2.543 . 0 0 "[ . 1 . 2]" 1
644 1 40 LEU HA 1 40 LEU HG . . 4.110 3.708 3.686 3.733 . 0 0 "[ . 1 . 2]" 1
645 1 40 LEU HA 1 43 GLU H . . 4.620 3.597 3.487 3.732 . 0 0 "[ . 1 . 2]" 1
646 1 40 LEU HA 1 43 GLU HG3 . . 4.110 3.907 3.814 4.034 . 0 0 "[ . 1 . 2]" 1
647 1 40 LEU HA 1 44 VAL H . . 4.480 4.333 4.258 4.412 . 0 0 "[ . 1 . 2]" 1
648 1 40 LEU HA 1 94 ALA MB . . 4.150 3.956 3.788 4.078 . 0 0 "[ . 1 . 2]" 1
649 1 40 LEU HA 1 97 LEU QD . . 4.330 3.932 3.867 3.969 . 0 0 "[ . 1 . 2]" 1
650 1 40 LEU HB3 1 40 LEU MD1 . . 3.400 2.541 2.501 2.599 . 0 0 "[ . 1 . 2]" 1
651 1 40 LEU HB3 1 40 LEU HG . . 2.790 2.266 2.242 2.291 . 0 0 "[ . 1 . 2]" 1
652 1 40 LEU HB3 1 41 LEU H . . 3.870 2.347 2.302 2.416 . 0 0 "[ . 1 . 2]" 1
653 1 40 LEU HB3 1 41 LEU HA . . 4.290 3.903 3.829 3.983 . 0 0 "[ . 1 . 2]" 1
654 1 40 LEU HB3 1 41 LEU QD . . 3.780 2.525 2.393 2.668 . 0 0 "[ . 1 . 2]" 1
655 1 40 LEU HB3 1 42 ALA H . . 5.500 4.887 4.821 4.972 . 0 0 "[ . 1 . 2]" 1
656 1 40 LEU HB3 1 76 PHE QE . . 5.450 5.156 5.020 5.266 . 0 0 "[ . 1 . 2]" 1
657 1 40 LEU HB3 1 76 PHE HZ . . 5.010 4.879 4.654 5.048 0.038 10 0 "[ . 1 . 2]" 1
658 1 40 LEU HB3 1 97 LEU MD1 . . 4.660 2.258 2.153 2.369 . 0 0 "[ . 1 . 2]" 1
659 1 40 LEU HB3 1 97 LEU QD . . 3.820 2.253 2.150 2.362 . 0 0 "[ . 1 . 2]" 1
660 1 40 LEU HB3 1 97 LEU MD2 . . 4.660 4.687 4.663 4.705 0.045 8 0 "[ . 1 . 2]" 1
661 1 40 LEU MD1 1 44 VAL H . . 4.310 3.923 3.795 4.105 . 0 0 "[ . 1 . 2]" 1
662 1 40 LEU MD1 1 44 VAL QG . . 4.090 2.996 2.399 3.211 . 0 0 "[ . 1 . 2]" 1
663 1 40 LEU MD1 1 93 SER H . . 3.850 3.754 3.589 3.847 . 0 0 "[ . 1 . 2]" 1
664 1 40 LEU MD1 1 93 SER HA . . 4.230 3.305 3.116 3.579 . 0 0 "[ . 1 . 2]" 1
665 1 40 LEU MD1 1 94 ALA H . . 5.130 2.815 2.706 2.944 . 0 0 "[ . 1 . 2]" 1
666 1 40 LEU MD1 1 96 VAL H . . 4.920 4.472 4.340 4.757 . 0 0 "[ . 1 . 2]" 1
667 1 40 LEU MD1 1 96 VAL HB . . 5.030 4.723 4.557 4.932 . 0 0 "[ . 1 . 2]" 1
668 1 40 LEU MD1 1 97 LEU H . . 4.470 3.494 3.425 3.590 . 0 0 "[ . 1 . 2]" 1
669 1 40 LEU MD1 1 97 LEU QD . . 3.130 2.020 1.987 2.039 . 0 0 "[ . 1 . 2]" 1
670 1 40 LEU MD2 1 41 LEU H . . 4.900 4.678 4.647 4.704 . 0 0 "[ . 1 . 2]" 1
671 1 40 LEU MD2 1 91 PRO HA . . 5.500 5.530 5.504 5.562 0.062 6 0 "[ . 1 . 2]" 1
672 1 40 LEU MD2 1 93 SER H . . 4.130 3.949 3.604 4.131 0.001 19 0 "[ . 1 . 2]" 1
673 1 40 LEU MD2 1 93 SER HA . . 4.020 2.544 2.343 2.816 . 0 0 "[ . 1 . 2]" 1
674 1 40 LEU MD2 1 94 ALA H . . 4.250 3.297 3.160 3.445 . 0 0 "[ . 1 . 2]" 1
675 1 40 LEU HG 1 76 PHE QE . . 5.500 5.541 5.505 5.592 0.092 10 0 "[ . 1 . 2]" 1
676 1 40 LEU HG 1 76 PHE HZ . . 5.010 4.917 4.770 5.016 0.006 19 0 "[ . 1 . 2]" 1
677 1 40 LEU HG 1 91 PRO HA . . 5.210 4.897 4.799 5.010 . 0 0 "[ . 1 . 2]" 1
678 1 40 LEU HG 1 93 SER H . . 4.780 4.552 4.431 4.693 . 0 0 "[ . 1 . 2]" 1
679 1 40 LEU HG 1 97 LEU H . . 5.490 5.365 5.254 5.488 . 0 0 "[ . 1 . 2]" 1
680 1 40 LEU HG 1 97 LEU QD . . 3.080 2.342 2.236 2.492 . 0 0 "[ . 1 . 2]" 1
681 1 41 LEU H 1 41 LEU HB3 . . 3.620 3.559 3.537 3.583 . 0 0 "[ . 1 . 2]" 1
682 1 41 LEU H 1 41 LEU MD1 . . 4.390 3.780 3.736 3.830 . 0 0 "[ . 1 . 2]" 1
683 1 41 LEU H 1 41 LEU QD . . 3.470 2.282 2.234 2.322 . 0 0 "[ . 1 . 2]" 1
684 1 41 LEU H 1 41 LEU MD2 . . 4.390 2.301 2.250 2.342 . 0 0 "[ . 1 . 2]" 1
685 1 41 LEU H 1 41 LEU HG . . 4.230 4.172 4.090 4.211 . 0 0 "[ . 1 . 2]" 1
686 1 41 LEU H 1 42 ALA H . . 3.440 2.737 2.690 2.773 . 0 0 "[ . 1 . 2]" 1
687 1 41 LEU H 1 42 ALA MB . . 4.310 4.340 4.319 4.356 0.046 20 0 "[ . 1 . 2]" 1
688 1 41 LEU H 1 43 GLU H . . 4.210 4.256 4.224 4.279 0.069 18 0 "[ . 1 . 2]" 1
689 1 41 LEU H 1 44 VAL H . . 5.180 4.934 4.832 4.983 . 0 0 "[ . 1 . 2]" 1
690 1 41 LEU H 1 97 LEU QD . . 3.800 3.246 3.192 3.278 . 0 0 "[ . 1 . 2]" 1
691 1 41 LEU HA 1 41 LEU MD1 . . 3.820 2.008 2.000 2.026 . 0 0 "[ . 1 . 2]" 1
692 1 41 LEU HA 1 41 LEU QD . . 2.960 1.969 1.956 1.990 . 0 0 "[ . 1 . 2]" 1
693 1 41 LEU HA 1 41 LEU MD2 . . 3.820 2.842 2.760 2.925 . 0 0 "[ . 1 . 2]" 1
694 1 41 LEU HA 1 41 LEU HG . . 3.670 3.666 3.624 3.730 0.060 10 0 "[ . 1 . 2]" 1
695 1 41 LEU HA 1 42 ALA HA . . 5.060 4.856 4.811 4.899 . 0 0 "[ . 1 . 2]" 1
696 1 41 LEU HA 1 43 GLU H . . 4.560 4.304 4.229 4.385 . 0 0 "[ . 1 . 2]" 1
697 1 41 LEU HA 1 44 VAL H . . 4.200 3.470 3.387 3.527 . 0 0 "[ . 1 . 2]" 1
698 1 41 LEU HA 1 44 VAL HB . . 4.890 4.188 2.704 4.477 . 0 0 "[ . 1 . 2]" 1
699 1 41 LEU HA 1 44 VAL QG . . 3.750 2.080 1.941 2.787 . 0 0 "[ . 1 . 2]" 1
700 1 41 LEU HA 1 53 HIS HE1 . . 5.500 5.522 5.397 5.599 0.099 17 0 "[ . 1 . 2]" 1
701 1 41 LEU HA 1 97 LEU HB3 . . 4.840 4.598 4.573 4.630 . 0 0 "[ . 1 . 2]" 1
702 1 41 LEU HA 1 97 LEU MD1 . . 4.210 2.600 2.543 2.664 . 0 0 "[ . 1 . 2]" 1
703 1 41 LEU HA 1 97 LEU QD . . 3.410 2.539 2.493 2.566 . 0 0 "[ . 1 . 2]" 1
704 1 41 LEU HA 1 97 LEU MD2 . . 4.210 3.573 3.320 3.664 . 0 0 "[ . 1 . 2]" 1
705 1 41 LEU HA 1 97 LEU HG . . 5.500 5.507 5.451 5.537 0.037 5 0 "[ . 1 . 2]" 1
706 1 41 LEU HB3 1 41 LEU MD1 . . 3.650 2.480 2.448 2.511 . 0 0 "[ . 1 . 2]" 1
707 1 41 LEU HB3 1 41 LEU QD . . 3.080 2.400 2.375 2.426 . 0 0 "[ . 1 . 2]" 1
708 1 41 LEU HB3 1 41 LEU MD2 . . 3.650 3.198 3.184 3.216 . 0 0 "[ . 1 . 2]" 1
709 1 41 LEU HB3 1 42 ALA H . . 3.840 3.294 3.228 3.347 . 0 0 "[ . 1 . 2]" 1
710 1 41 LEU HB3 1 42 ALA HA . . 4.290 4.179 4.101 4.258 . 0 0 "[ . 1 . 2]" 1
711 1 41 LEU HB3 1 97 LEU QD . . 4.890 4.193 4.117 4.229 . 0 0 "[ . 1 . 2]" 1
712 1 41 LEU QD 1 42 ALA H . . 4.120 3.965 3.914 3.996 . 0 0 "[ . 1 . 2]" 1
713 1 41 LEU QD 1 42 ALA HA . . 5.140 5.135 5.099 5.210 0.070 5 0 "[ . 1 . 2]" 1
714 1 41 LEU QD 1 44 VAL H . . 5.030 4.472 4.399 4.535 . 0 0 "[ . 1 . 2]" 1
715 1 41 LEU QD 1 44 VAL QG . . 3.350 2.393 2.224 3.010 . 0 0 "[ . 1 . 2]" 1
716 1 41 LEU QD 1 45 PHE H . . 3.970 4.078 3.933 4.272 0.302 10 0 "[ . 1 . 2]" 1
717 1 41 LEU QD 1 45 PHE QD . . 3.090 2.563 2.394 2.889 . 0 0 "[ . 1 . 2]" 1
718 1 41 LEU QD 1 45 PHE QE . . 3.560 2.920 2.520 3.597 0.037 5 0 "[ . 1 . 2]" 1
719 1 41 LEU QD 1 53 HIS HD2 . . 5.170 4.580 4.481 4.703 . 0 0 "[ . 1 . 2]" 1
720 1 41 LEU QD 1 53 HIS HE1 . . 3.790 3.347 3.219 3.451 . 0 0 "[ . 1 . 2]" 1
721 1 41 LEU QD 1 76 PHE QD . . 4.740 2.915 2.830 3.022 . 0 0 "[ . 1 . 2]" 1
722 1 41 LEU QD 1 76 PHE QE . . 4.610 2.640 2.564 2.775 . 0 0 "[ . 1 . 2]" 1
723 1 41 LEU QD 1 76 PHE HZ . . 5.030 2.983 2.917 3.111 . 0 0 "[ . 1 . 2]" 1
724 1 41 LEU QD 1 78 PHE QE . . 4.460 4.115 4.083 4.140 . 0 0 "[ . 1 . 2]" 1
725 1 41 LEU QD 1 97 LEU HA . . 5.440 4.785 4.758 4.826 . 0 0 "[ . 1 . 2]" 1
726 1 41 LEU QD 1 97 LEU QD . . 2.990 1.694 1.667 1.719 . 0 0 "[ . 1 . 2]" 1
727 1 41 LEU QD 1 101 PHE QD . . 4.170 3.821 3.794 3.864 . 0 0 "[ . 1 . 2]" 1
728 1 41 LEU QD 1 101 PHE QE . . 3.250 2.185 2.177 2.203 . 0 0 "[ . 1 . 2]" 1
729 1 41 LEU QD 1 101 PHE HZ . . 3.280 2.118 2.033 2.184 . 0 0 "[ . 1 . 2]" 1
730 1 41 LEU MD1 1 42 ALA H . . 4.740 4.717 4.695 4.742 0.002 5 0 "[ . 1 . 2]" 1
731 1 41 LEU MD2 1 42 ALA H . . 4.740 4.263 4.190 4.312 . 0 0 "[ . 1 . 2]" 1
732 1 41 LEU HG 1 42 ALA H . . 5.210 5.132 5.035 5.191 . 0 0 "[ . 1 . 2]" 1
733 1 41 LEU HG 1 45 PHE QD . . 4.830 4.001 3.801 4.165 . 0 0 "[ . 1 . 2]" 1
734 1 41 LEU HG 1 53 HIS HE1 . . 4.430 2.455 2.277 2.624 . 0 0 "[ . 1 . 2]" 1
735 1 42 ALA H 1 42 ALA MB . . 2.860 2.202 2.188 2.221 . 0 0 "[ . 1 . 2]" 1
736 1 42 ALA H 1 43 GLU H . . 3.590 2.914 2.853 2.982 . 0 0 "[ . 1 . 2]" 1
737 1 42 ALA H 1 44 VAL H . . 4.920 4.527 4.339 4.628 . 0 0 "[ . 1 . 2]" 1
738 1 42 ALA H 1 44 VAL QG . . 5.440 4.408 4.272 4.999 . 0 0 "[ . 1 . 2]" 1
739 1 42 ALA H 1 97 LEU QD . . 5.440 4.922 4.903 4.935 . 0 0 "[ . 1 . 2]" 1
740 1 42 ALA HA 1 45 PHE H . . 4.630 3.948 3.797 4.139 . 0 0 "[ . 1 . 2]" 1
741 1 42 ALA MB 1 43 GLU H . . 3.610 2.669 2.625 2.768 . 0 0 "[ . 1 . 2]" 1
742 1 42 ALA MB 1 43 GLU HA . . 4.070 4.009 3.958 4.054 . 0 0 "[ . 1 . 2]" 1
743 1 42 ALA MB 1 46 SER H . . 5.290 5.226 5.132 5.323 0.033 9 0 "[ . 1 . 2]" 1
744 1 43 GLU H 1 43 GLU HB3 . . 3.810 3.595 3.578 3.610 . 0 0 "[ . 1 . 2]" 1
745 1 43 GLU H 1 43 GLU HG3 . . 4.630 3.679 3.632 3.730 . 0 0 "[ . 1 . 2]" 1
746 1 43 GLU HA 1 44 VAL QG . . 4.730 4.880 4.732 4.920 0.190 19 0 "[ . 1 . 2]" 1
747 1 43 GLU HB3 1 44 VAL H . . 3.840 3.422 3.367 3.471 . 0 0 "[ . 1 . 2]" 1
748 1 43 GLU HB3 1 44 VAL QG . . 4.270 4.513 3.758 4.676 0.406 8 0 "[ . 1 . 2]" 1
749 1 43 GLU HB3 1 94 ALA MB . . 3.820 3.447 3.181 3.690 . 0 0 "[ . 1 . 2]" 1
750 1 43 GLU HG3 1 44 VAL H . . 4.930 4.956 4.922 4.971 0.041 12 0 "[ . 1 . 2]" 1
751 1 44 VAL H 1 44 VAL HB . . 3.210 2.783 2.571 2.857 . 0 0 "[ . 1 . 2]" 1
752 1 44 VAL H 1 44 VAL MG1 . . 3.770 2.236 1.930 3.805 0.035 10 0 "[ . 1 . 2]" 1
753 1 44 VAL H 1 44 VAL QG . . 2.860 1.977 1.925 2.129 . 0 0 "[ . 1 . 2]" 1
754 1 44 VAL H 1 44 VAL MG2 . . 3.770 3.570 2.095 3.838 0.068 14 0 "[ . 1 . 2]" 1
755 1 44 VAL H 1 45 PHE H . . 3.370 2.802 2.723 2.874 . 0 0 "[ . 1 . 2]" 1
756 1 44 VAL H 1 94 ALA MB . . 4.310 4.332 4.280 4.355 0.045 7 0 "[ . 1 . 2]" 1
757 1 44 VAL H 1 97 LEU QD . . 5.440 4.074 3.988 4.172 . 0 0 "[ . 1 . 2]" 1
758 1 44 VAL HA 1 44 VAL MG1 . . 3.220 3.114 2.403 3.247 0.027 9 0 "[ . 1 . 2]" 1
759 1 44 VAL HA 1 44 VAL MG2 . . 3.220 2.468 2.441 2.489 . 0 0 "[ . 1 . 2]" 1
760 1 44 VAL HA 1 46 SER H . . 4.640 4.083 3.747 4.309 . 0 0 "[ . 1 . 2]" 1
761 1 44 VAL HA 1 47 ASP H . . 4.390 4.072 3.909 4.263 . 0 0 "[ . 1 . 2]" 1
762 1 44 VAL HA 1 48 TYR QE . . 4.760 3.748 3.631 3.847 . 0 0 "[ . 1 . 2]" 1
763 1 44 VAL HA 1 94 ALA MB . . 4.380 4.360 4.224 4.414 0.034 3 0 "[ . 1 . 2]" 1
764 1 44 VAL HA 1 97 LEU HB3 . . 5.290 5.193 5.101 5.262 . 0 0 "[ . 1 . 2]" 1
765 1 44 VAL HB 1 45 PHE H . . 3.970 3.821 2.433 4.083 0.113 3 0 "[ . 1 . 2]" 1
766 1 44 VAL HB 1 48 TYR QD . . 5.200 4.910 4.356 5.088 . 0 0 "[ . 1 . 2]" 1
767 1 44 VAL HB 1 94 ALA HA . . 5.500 4.245 3.924 5.604 0.104 18 0 "[ . 1 . 2]" 1
768 1 44 VAL HB 1 97 LEU HB3 . . 4.780 3.045 2.778 3.989 . 0 0 "[ . 1 . 2]" 1
769 1 44 VAL HB 1 97 LEU QD . . 4.060 3.354 2.992 3.464 . 0 0 "[ . 1 . 2]" 1
770 1 44 VAL HB 1 101 PHE QD . . 5.260 4.744 4.295 4.857 . 0 0 "[ . 1 . 2]" 1
771 1 44 VAL QG 1 45 PHE H . . 3.590 2.318 2.123 3.099 . 0 0 "[ . 1 . 2]" 1
772 1 44 VAL QG 1 45 PHE HA . . 4.080 3.155 2.970 3.539 . 0 0 "[ . 1 . 2]" 1
773 1 44 VAL QG 1 46 SER H . . 4.090 4.171 4.120 4.250 0.160 10 0 "[ . 1 . 2]" 1
774 1 44 VAL QG 1 47 ASP H . . 4.190 4.202 4.108 4.306 0.116 18 0 "[ . 1 . 2]" 1
775 1 44 VAL QG 1 48 TYR H . . 4.500 4.530 4.358 4.608 0.108 6 0 "[ . 1 . 2]" 1
776 1 44 VAL QG 1 48 TYR QD . . 3.810 2.325 2.261 2.367 . 0 0 "[ . 1 . 2]" 1
777 1 44 VAL QG 1 48 TYR QE . . 3.340 2.128 2.085 2.237 . 0 0 "[ . 1 . 2]" 1
778 1 44 VAL QG 1 76 PHE QE . . 5.440 4.596 4.499 4.866 . 0 0 "[ . 1 . 2]" 1
779 1 44 VAL QG 1 78 PHE QE . . 4.840 4.364 4.323 4.468 . 0 0 "[ . 1 . 2]" 1
780 1 44 VAL QG 1 94 ALA H . . 5.410 5.912 4.822 6.132 0.722 12 17 "[**-*** **1*+***** **]" 1
781 1 44 VAL QG 1 94 ALA HA . . 3.450 3.905 2.746 4.166 0.716 1 17 "[+***** **1****-** **]" 1
782 1 44 VAL QG 1 94 ALA MB . . 3.370 3.858 2.746 4.120 0.750 20 17 "[-***** **1******* *+]" 1
783 1 44 VAL QG 1 97 LEU H . . 4.920 4.538 3.900 4.684 . 0 0 "[ . 1 . 2]" 1
784 1 44 VAL QG 1 97 LEU HB3 . . 2.970 2.253 1.910 2.357 . 0 0 "[ . 1 . 2]" 1
785 1 44 VAL QG 1 97 LEU QD . . 2.790 1.868 1.813 2.030 . 0 0 "[ . 1 . 2]" 1
786 1 44 VAL QG 1 97 LEU HG . . 4.090 3.987 3.934 4.031 . 0 0 "[ . 1 . 2]" 1
787 1 44 VAL QG 1 98 GLU H . . 3.300 3.151 2.530 3.289 . 0 0 "[ . 1 . 2]" 1
788 1 44 VAL QG 1 98 GLU HA . . 3.310 1.999 1.951 2.052 . 0 0 "[ . 1 . 2]" 1
789 1 44 VAL QG 1 98 GLU HG3 . . 3.490 2.886 2.065 3.077 . 0 0 "[ . 1 . 2]" 1
790 1 44 VAL QG 1 99 GLU H . . 4.870 4.653 4.343 4.757 . 0 0 "[ . 1 . 2]" 1
791 1 44 VAL QG 1 100 ALA H . . 5.280 4.775 4.667 4.863 . 0 0 "[ . 1 . 2]" 1
792 1 44 VAL QG 1 101 PHE H . . 3.900 3.512 3.441 3.566 . 0 0 "[ . 1 . 2]" 1
793 1 44 VAL QG 1 101 PHE HA . . 4.580 4.197 4.179 4.237 . 0 0 "[ . 1 . 2]" 1
794 1 44 VAL QG 1 101 PHE HB3 . . 3.860 2.911 2.881 2.955 . 0 0 "[ . 1 . 2]" 1
795 1 44 VAL QG 1 101 PHE QD . . 3.220 2.506 2.486 2.530 . 0 0 "[ . 1 . 2]" 1
796 1 44 VAL QG 1 101 PHE QE . . 4.210 2.846 2.751 3.062 . 0 0 "[ . 1 . 2]" 1
797 1 44 VAL QG 1 101 PHE HZ . . 4.000 3.354 3.200 3.747 . 0 0 "[ . 1 . 2]" 1
798 1 44 VAL QG 1 102 GLU H . . 4.750 4.306 4.240 4.339 . 0 0 "[ . 1 . 2]" 1
799 1 44 VAL MG1 1 45 PHE H . . 4.400 2.377 2.156 3.296 . 0 0 "[ . 1 . 2]" 1
800 1 44 VAL MG1 1 45 PHE QD . . 5.060 3.610 3.298 4.508 . 0 0 "[ . 1 . 2]" 1
801 1 44 VAL MG1 1 46 SER H . . 4.830 4.583 4.514 4.691 . 0 0 "[ . 1 . 2]" 1
802 1 44 VAL MG1 1 48 TYR QD . . 5.190 3.948 2.265 4.297 . 0 0 "[ . 1 . 2]" 1
803 1 44 VAL MG1 1 94 ALA MB . . 4.870 4.413 4.307 4.597 . 0 0 "[ . 1 . 2]" 1
804 1 44 VAL MG1 1 97 LEU HB3 . . 3.840 2.494 2.330 3.196 . 0 0 "[ . 1 . 2]" 1
805 1 44 VAL MG1 1 98 GLU H . . 4.020 3.999 3.433 4.109 0.089 20 0 "[ . 1 . 2]" 1
806 1 44 VAL MG1 1 98 GLU HA . . 4.130 3.707 1.987 4.040 . 0 0 "[ . 1 . 2]" 1
807 1 44 VAL MG1 1 98 GLU HG3 . . 4.090 3.875 2.976 4.061 . 0 0 "[ . 1 . 2]" 1
808 1 44 VAL MG1 1 101 PHE QD . . 4.140 3.214 2.507 3.393 . 0 0 "[ . 1 . 2]" 1
809 1 44 VAL MG1 1 101 PHE HZ . . 4.850 3.517 3.340 3.871 . 0 0 "[ . 1 . 2]" 1
810 1 44 VAL MG2 1 45 PHE H . . 4.400 3.332 3.177 3.771 . 0 0 "[ . 1 . 2]" 1
811 1 44 VAL MG2 1 45 PHE QD . . 5.060 4.644 4.470 5.084 0.024 10 0 "[ . 1 . 2]" 1
812 1 44 VAL MG2 1 46 SER H . . 4.830 4.802 4.738 5.016 0.186 10 0 "[ . 1 . 2]" 1
813 1 44 VAL MG2 1 48 TYR QD . . 5.190 2.719 2.292 4.898 . 0 0 "[ . 1 . 2]" 1
814 1 44 VAL MG2 1 94 ALA MB . . 4.870 4.472 2.769 4.841 . 0 0 "[ . 1 . 2]" 1
815 1 44 VAL MG2 1 97 LEU HB3 . . 3.840 2.996 1.927 3.218 . 0 0 "[ . 1 . 2]" 1
816 1 44 VAL MG2 1 98 GLU H . . 4.020 3.301 2.605 3.463 . 0 0 "[ . 1 . 2]" 1
817 1 44 VAL MG2 1 98 GLU HA . . 4.130 2.163 1.956 3.047 . 0 0 "[ . 1 . 2]" 1
818 1 44 VAL MG2 1 98 GLU HG3 . . 4.090 2.979 2.106 3.190 . 0 0 "[ . 1 . 2]" 1
819 1 44 VAL MG2 1 101 PHE QD . . 4.140 2.817 2.569 4.093 . 0 0 "[ . 1 . 2]" 1
820 1 44 VAL MG2 1 101 PHE HZ . . 4.850 4.245 3.994 5.000 0.150 10 0 "[ . 1 . 2]" 1
821 1 45 PHE H 1 45 PHE QD . . 4.050 3.434 3.080 3.824 . 0 0 "[ . 1 . 2]" 1
822 1 45 PHE H 1 46 SER H . . 3.280 2.881 2.796 2.959 . 0 0 "[ . 1 . 2]" 1
823 1 45 PHE H 1 47 ASP H . . 4.480 4.517 4.492 4.549 0.069 9 0 "[ . 1 . 2]" 1
824 1 45 PHE H 1 48 TYR H . . 5.240 5.165 4.956 5.259 0.019 9 0 "[ . 1 . 2]" 1
825 1 45 PHE H 1 101 PHE QD . . 5.460 5.300 5.141 5.444 . 0 0 "[ . 1 . 2]" 1
826 1 45 PHE HA 1 45 PHE QD . . 3.210 2.725 2.636 2.920 . 0 0 "[ . 1 . 2]" 1
827 1 45 PHE HA 1 45 PHE QE . . 4.800 4.432 4.278 4.532 . 0 0 "[ . 1 . 2]" 1
828 1 45 PHE HA 1 48 TYR H . . 3.750 3.013 2.791 3.111 . 0 0 "[ . 1 . 2]" 1
829 1 45 PHE HA 1 101 PHE QE . . 3.850 3.168 3.038 3.315 . 0 0 "[ . 1 . 2]" 1
830 1 45 PHE QD 1 48 TYR HA . . 5.500 5.372 5.101 5.525 0.025 8 0 "[ . 1 . 2]" 1
831 1 45 PHE QD 1 51 VAL HB . . 4.760 3.588 3.074 4.131 . 0 0 "[ . 1 . 2]" 1
832 1 45 PHE QD 1 51 VAL QG . . 5.000 4.001 3.737 4.302 . 0 0 "[ . 1 . 2]" 1
833 1 45 PHE QD 1 53 HIS HB2 . . 4.260 4.169 4.064 4.266 0.006 5 0 "[ . 1 . 2]" 1
834 1 45 PHE QD 1 53 HIS HE1 . . 4.490 4.412 4.280 4.524 0.034 18 0 "[ . 1 . 2]" 1
835 1 45 PHE QD 1 101 PHE QD . . 4.760 4.662 4.528 4.792 0.032 9 0 "[ . 1 . 2]" 1
836 1 45 PHE QD 1 101 PHE QE . . 3.460 3.155 3.058 3.264 . 0 0 "[ . 1 . 2]" 1
837 1 45 PHE QD 1 101 PHE HZ . . 3.630 2.912 2.528 3.144 . 0 0 "[ . 1 . 2]" 1
838 1 45 PHE QE 1 51 VAL H . . 4.430 3.537 2.859 4.028 . 0 0 "[ . 1 . 2]" 1
839 1 45 PHE QE 1 51 VAL HB . . 2.890 2.343 2.220 2.648 . 0 0 "[ . 1 . 2]" 1
840 1 45 PHE QE 1 51 VAL MG1 . . 3.990 2.745 2.275 3.306 . 0 0 "[ . 1 . 2]" 1
841 1 45 PHE QE 1 51 VAL QG . . 3.170 2.664 2.260 3.125 . 0 0 "[ . 1 . 2]" 1
842 1 45 PHE QE 1 51 VAL MG2 . . 3.990 3.900 3.766 4.001 0.011 9 0 "[ . 1 . 2]" 1
843 1 45 PHE QE 1 53 HIS HA . . 3.930 3.898 3.732 3.991 0.061 15 0 "[ . 1 . 2]" 1
844 1 45 PHE QE 1 53 HIS HB2 . . 3.100 2.838 2.568 3.060 . 0 0 "[ . 1 . 2]" 1
845 1 45 PHE QE 1 53 HIS HB3 . . 4.400 4.126 3.966 4.256 . 0 0 "[ . 1 . 2]" 1
846 1 45 PHE QE 1 53 HIS HE1 . . 4.460 3.954 3.465 4.502 0.042 5 0 "[ . 1 . 2]" 1
847 1 45 PHE QE 1 101 PHE QD . . 5.050 4.878 4.727 5.060 0.010 5 0 "[ . 1 . 2]" 1
848 1 45 PHE QE 1 101 PHE QE . . 3.280 3.126 3.020 3.247 . 0 0 "[ . 1 . 2]" 1
849 1 45 PHE QE 1 101 PHE HZ . . 3.520 2.601 2.516 2.786 . 0 0 "[ . 1 . 2]" 1
850 1 46 SER H 1 46 SER HA . . 2.860 2.869 2.834 2.903 0.043 7 0 "[ . 1 . 2]" 1
851 1 46 SER H 1 47 ASP HA . . 5.500 5.446 5.341 5.511 0.011 9 0 "[ . 1 . 2]" 1
852 1 46 SER H 1 48 TYR H . . 4.160 4.083 3.879 4.178 0.018 20 0 "[ . 1 . 2]" 1
853 1 46 SER HA 1 47 ASP H . . 3.560 3.512 3.489 3.544 . 0 0 "[ . 1 . 2]" 1
854 1 46 SER HA 1 48 TYR H . . 4.520 4.053 3.935 4.227 . 0 0 "[ . 1 . 2]" 1
855 1 46 SER HA 1 49 PRO HB3 . . 4.640 4.273 3.998 4.542 . 0 0 "[ . 1 . 2]" 1
856 1 46 SER HA 1 49 PRO HD3 . . 4.510 3.862 3.619 4.180 . 0 0 "[ . 1 . 2]" 1
857 1 47 ASP H 1 47 ASP HB3 . . 3.280 2.682 2.597 3.389 0.109 10 0 "[ . 1 . 2]" 1
858 1 47 ASP H 1 48 TYR H . . 2.900 2.276 2.227 2.344 . 0 0 "[ . 1 . 2]" 1
859 1 47 ASP H 1 48 TYR HA . . 5.100 5.021 4.986 5.066 . 0 0 "[ . 1 . 2]" 1
860 1 47 ASP H 1 48 TYR QD . . 3.820 3.589 3.511 3.729 . 0 0 "[ . 1 . 2]" 1
861 1 47 ASP H 1 48 TYR QE . . 4.430 4.464 4.438 4.502 0.072 14 0 "[ . 1 . 2]" 1
862 1 47 ASP HB3 1 48 TYR H . . 4.170 3.461 3.367 3.842 . 0 0 "[ . 1 . 2]" 1
863 1 47 ASP HB3 1 48 TYR QE . . 4.380 2.940 2.801 3.370 . 0 0 "[ . 1 . 2]" 1
864 1 48 TYR H 1 48 TYR HB3 . . 4.080 3.885 3.858 3.916 . 0 0 "[ . 1 . 2]" 1
865 1 48 TYR H 1 48 TYR QD . . 3.810 3.101 2.976 3.151 . 0 0 "[ . 1 . 2]" 1
866 1 48 TYR H 1 48 TYR QE . . 4.810 4.751 4.652 4.810 . 0 0 "[ . 1 . 2]" 1
867 1 48 TYR H 1 49 PRO HD3 . . 3.810 2.746 2.608 2.883 . 0 0 "[ . 1 . 2]" 1
868 1 48 TYR H 1 50 GLU H . . 5.500 5.265 5.212 5.351 . 0 0 "[ . 1 . 2]" 1
869 1 48 TYR H 1 51 VAL QG . . 4.830 5.167 5.095 5.282 0.452 17 0 "[ . 1 . 2]" 1
870 1 48 TYR HA 1 48 TYR QD . . 4.210 2.754 2.664 2.911 . 0 0 "[ . 1 . 2]" 1
871 1 48 TYR HA 1 50 GLU H . . 4.220 3.415 3.363 3.481 . 0 0 "[ . 1 . 2]" 1
872 1 48 TYR HA 1 51 VAL H . . 5.090 4.315 4.247 4.377 . 0 0 "[ . 1 . 2]" 1
873 1 48 TYR HB3 1 50 GLU H . . 4.650 4.434 4.275 4.585 . 0 0 "[ . 1 . 2]" 1
874 1 48 TYR HB3 1 51 VAL H . . 4.430 3.737 3.669 3.809 . 0 0 "[ . 1 . 2]" 1
875 1 48 TYR HB3 1 51 VAL QG . . 3.630 2.330 2.254 2.416 . 0 0 "[ . 1 . 2]" 1
876 1 48 TYR HB3 1 101 PHE QD . . 3.710 3.048 2.907 3.177 . 0 0 "[ . 1 . 2]" 1
877 1 48 TYR HB3 1 101 PHE QE . . 5.500 4.283 4.108 4.451 . 0 0 "[ . 1 . 2]" 1
878 1 48 TYR QD 1 49 PRO HD3 . . 5.420 5.312 5.237 5.346 . 0 0 "[ . 1 . 2]" 1
879 1 48 TYR QD 1 51 VAL QG . . 3.760 3.751 3.694 3.863 0.103 18 0 "[ . 1 . 2]" 1
880 1 48 TYR QD 1 98 GLU HA . . 4.760 4.643 4.512 4.778 0.018 6 0 "[ . 1 . 2]" 1
881 1 48 TYR QD 1 101 PHE HB3 . . 3.500 3.067 2.973 3.152 . 0 0 "[ . 1 . 2]" 1
882 1 48 TYR QD 1 105 VAL H . . 5.500 5.355 5.143 5.481 . 0 0 "[ . 1 . 2]" 1
883 1 48 TYR QD 1 105 VAL HB . . 3.590 3.395 3.171 3.545 . 0 0 "[ . 1 . 2]" 1
884 1 48 TYR QD 1 105 VAL MG1 . . 3.830 2.256 2.175 2.305 . 0 0 "[ . 1 . 2]" 1
885 1 48 TYR QD 1 105 VAL MG2 . . 3.420 2.249 2.192 2.299 . 0 0 "[ . 1 . 2]" 1
886 1 48 TYR QE 1 98 GLU HA . . 3.450 3.176 3.003 3.286 . 0 0 "[ . 1 . 2]" 1
887 1 48 TYR QE 1 98 GLU HG3 . . 4.970 4.615 4.351 4.849 . 0 0 "[ . 1 . 2]" 1
888 1 48 TYR QE 1 101 PHE H . . 5.500 5.223 5.054 5.318 . 0 0 "[ . 1 . 2]" 1
889 1 48 TYR QE 1 101 PHE HB3 . . 3.570 3.204 3.059 3.345 . 0 0 "[ . 1 . 2]" 1
890 1 48 TYR QE 1 102 GLU H . . 4.470 4.021 3.928 4.101 . 0 0 "[ . 1 . 2]" 1
891 1 48 TYR QE 1 102 GLU HA . . 3.390 2.895 2.672 3.095 . 0 0 "[ . 1 . 2]" 1
892 1 48 TYR QE 1 105 VAL HB . . 4.250 4.310 4.276 4.344 0.094 7 0 "[ . 1 . 2]" 1
893 1 48 TYR QE 1 105 VAL MG1 . . 3.400 2.371 2.274 2.490 . 0 0 "[ . 1 . 2]" 1
894 1 48 TYR QE 1 105 VAL MG2 . . 4.180 3.996 3.930 4.057 . 0 0 "[ . 1 . 2]" 1
895 1 48 TYR QE 1 107 GLU HB3 . . 4.920 3.883 3.651 4.101 . 0 0 "[ . 1 . 2]" 1
896 1 49 PRO HA 1 51 VAL H . . 3.990 3.635 3.573 3.689 . 0 0 "[ . 1 . 2]" 1
897 1 49 PRO HA 1 51 VAL HB . . 5.500 4.810 4.671 4.947 . 0 0 "[ . 1 . 2]" 1
898 1 49 PRO HD3 1 51 VAL QG . . 5.440 5.951 5.906 6.000 0.560 3 10 "[ *+*. 1 -**.*** *]" 1
899 1 50 GLU H 1 51 VAL H . . 3.280 2.741 2.633 2.811 . 0 0 "[ . 1 . 2]" 1
900 1 50 GLU H 1 51 VAL HB . . 5.240 5.074 4.984 5.154 . 0 0 "[ . 1 . 2]" 1
901 1 50 GLU H 1 51 VAL QG . . 3.970 3.983 3.836 4.088 0.118 9 0 "[ . 1 . 2]" 1
902 1 50 GLU HA 1 50 GLU HG3 . . 3.990 3.930 3.799 4.159 0.169 17 0 "[ . 1 . 2]" 1
903 1 51 VAL H 1 51 VAL HB . . 3.140 2.529 2.490 2.578 . 0 0 "[ . 1 . 2]" 1
904 1 51 VAL H 1 51 VAL MG1 . . 3.870 3.856 3.838 3.873 0.003 18 0 "[ . 1 . 2]" 1
905 1 51 VAL H 1 51 VAL QG . . 2.870 2.372 2.306 2.417 . 0 0 "[ . 1 . 2]" 1
906 1 51 VAL H 1 51 VAL MG2 . . 3.870 2.395 2.324 2.442 . 0 0 "[ . 1 . 2]" 1
907 1 51 VAL H 1 52 GLY H . . 4.760 4.624 4.580 4.677 . 0 0 "[ . 1 . 2]" 1
908 1 51 VAL H 1 101 PHE QE . . 5.500 5.318 5.111 5.506 0.006 18 0 "[ . 1 . 2]" 1
909 1 51 VAL H 1 105 VAL MG2 . . 4.660 4.122 3.962 4.282 . 0 0 "[ . 1 . 2]" 1
910 1 51 VAL HA 1 51 VAL MG1 . . 3.570 2.442 2.399 2.481 . 0 0 "[ . 1 . 2]" 1
911 1 51 VAL HA 1 51 VAL QG . . 3.040 2.166 2.147 2.197 . 0 0 "[ . 1 . 2]" 1
912 1 51 VAL HA 1 51 VAL MG2 . . 3.570 2.422 2.384 2.458 . 0 0 "[ . 1 . 2]" 1
913 1 51 VAL HA 1 52 GLY H . . 3.380 2.264 2.222 2.310 . 0 0 "[ . 1 . 2]" 1
914 1 51 VAL HB 1 52 GLY H . . 4.330 4.063 4.014 4.127 . 0 0 "[ . 1 . 2]" 1
915 1 51 VAL HB 1 101 PHE QD . . 4.930 4.095 3.896 4.270 . 0 0 "[ . 1 . 2]" 1
916 1 51 VAL HB 1 101 PHE QE . . 3.900 3.184 3.015 3.338 . 0 0 "[ . 1 . 2]" 1
917 1 51 VAL QG 1 52 GLY H . . 3.810 2.470 2.385 2.536 . 0 0 "[ . 1 . 2]" 1
918 1 51 VAL QG 1 53 HIS H . . 5.040 4.747 4.149 4.876 . 0 0 "[ . 1 . 2]" 1
919 1 51 VAL QG 1 53 HIS HA . . 4.940 4.215 3.853 4.384 . 0 0 "[ . 1 . 2]" 1
920 1 51 VAL QG 1 78 PHE HD2 . . 3.760 3.404 3.372 3.461 . 0 0 "[ . 1 . 2]" 1
921 1 51 VAL QG 1 78 PHE QE . . 4.090 3.593 3.511 3.711 . 0 0 "[ . 1 . 2]" 1
922 1 51 VAL QG 1 101 PHE HA . . 5.160 4.265 4.153 4.424 . 0 0 "[ . 1 . 2]" 1
923 1 51 VAL QG 1 101 PHE QD . . 3.110 3.024 2.855 3.205 0.095 17 0 "[ . 1 . 2]" 1
924 1 51 VAL QG 1 101 PHE QE . . 3.590 2.977 2.821 3.205 . 0 0 "[ . 1 . 2]" 1
925 1 51 VAL QG 1 101 PHE HZ . . 5.400 4.093 3.859 4.347 . 0 0 "[ . 1 . 2]" 1
926 1 51 VAL MG1 1 52 GLY H . . 4.620 2.493 2.404 2.562 . 0 0 "[ . 1 . 2]" 1
927 1 51 VAL MG1 1 101 PHE QD . . 4.090 3.927 3.720 4.081 . 0 0 "[ . 1 . 2]" 1
928 1 51 VAL MG1 1 101 PHE QE . . 4.130 3.178 3.015 3.423 . 0 0 "[ . 1 . 2]" 1
929 1 51 VAL MG2 1 52 GLY H . . 4.620 4.019 3.954 4.064 . 0 0 "[ . 1 . 2]" 1
930 1 51 VAL MG2 1 101 PHE QD . . 4.090 3.147 2.936 3.360 . 0 0 "[ . 1 . 2]" 1
931 1 51 VAL MG2 1 101 PHE QE . . 4.130 3.602 3.315 3.865 . 0 0 "[ . 1 . 2]" 1
932 1 52 GLY H 1 53 HIS H . . 4.650 4.650 4.448 4.680 0.030 6 0 "[ . 1 . 2]" 1
933 1 53 HIS HA 1 53 HIS HD2 . . 2.740 2.137 2.088 2.198 . 0 0 "[ . 1 . 2]" 1
934 1 53 HIS HA 1 54 LEU HA . . 4.790 4.486 4.435 4.514 . 0 0 "[ . 1 . 2]" 1
935 1 53 HIS HA 1 54 LEU HB3 . . 5.330 4.670 4.379 4.989 . 0 0 "[ . 1 . 2]" 1
936 1 53 HIS HA 1 54 LEU QD . . 5.440 5.220 5.014 5.365 . 0 0 "[ . 1 . 2]" 1
937 1 53 HIS HB2 1 53 HIS HD2 . . 3.740 3.435 3.364 3.493 . 0 0 "[ . 1 . 2]" 1
938 1 53 HIS HB3 1 53 HIS HD2 . . 3.870 3.881 3.869 3.898 0.028 1 0 "[ . 1 . 2]" 1
939 1 53 HIS HB3 1 53 HIS HE1 . . 5.110 4.921 4.887 4.957 . 0 0 "[ . 1 . 2]" 1
940 1 53 HIS HB3 1 54 LEU HA . . 4.720 4.725 4.491 4.833 0.113 6 0 "[ . 1 . 2]" 1
941 1 53 HIS HD2 1 101 PHE HZ . . 5.460 5.062 4.795 5.225 . 0 0 "[ . 1 . 2]" 1
942 1 53 HIS HE1 1 101 PHE HZ . . 5.500 5.556 5.472 5.632 0.132 8 0 "[ . 1 . 2]" 1
943 1 54 LEU H 1 54 LEU MD1 . . 4.770 4.356 4.239 4.478 . 0 0 "[ . 1 . 2]" 1
944 1 54 LEU H 1 54 LEU QD . . 4.110 3.856 3.712 3.924 . 0 0 "[ . 1 . 2]" 1
945 1 54 LEU H 1 54 LEU MD2 . . 4.770 4.304 4.052 4.433 . 0 0 "[ . 1 . 2]" 1
946 1 54 LEU H 1 54 LEU HG . . 5.060 4.524 4.276 4.905 . 0 0 "[ . 1 . 2]" 1
947 1 54 LEU HA 1 54 LEU MD1 . . 3.870 2.645 2.180 3.858 . 0 0 "[ . 1 . 2]" 1
948 1 54 LEU HA 1 54 LEU QD . . 3.000 2.222 2.051 2.689 . 0 0 "[ . 1 . 2]" 1
949 1 54 LEU HA 1 54 LEU MD2 . . 3.870 3.105 2.132 3.902 0.032 6 0 "[ . 1 . 2]" 1
950 1 54 LEU HA 1 54 LEU HG . . 3.900 3.295 2.469 3.762 . 0 0 "[ . 1 . 2]" 1
951 1 54 LEU HA 1 55 LYS H . . 3.420 2.163 2.136 2.194 . 0 0 "[ . 1 . 2]" 1
952 1 54 LEU HA 1 56 VAL QG . . 4.660 4.613 4.399 4.781 0.121 10 0 "[ . 1 . 2]" 1
953 1 54 LEU HB3 1 54 LEU MD1 . . 3.410 2.858 2.306 3.271 . 0 0 "[ . 1 . 2]" 1
954 1 54 LEU HB3 1 54 LEU MD2 . . 3.410 2.644 2.275 3.279 . 0 0 "[ . 1 . 2]" 1
955 1 54 LEU HB3 1 55 LYS H . . 4.650 4.428 4.234 4.546 . 0 0 "[ . 1 . 2]" 1
956 1 54 LEU QD 1 55 LYS H . . 4.040 2.731 2.435 3.140 . 0 0 "[ . 1 . 2]" 1
957 1 54 LEU QD 1 56 VAL QG . . 3.830 2.255 1.937 2.617 . 0 0 "[ . 1 . 2]" 1
958 1 54 LEU MD1 1 55 LYS H . . 5.270 3.242 2.466 5.253 . 0 0 "[ . 1 . 2]" 1
959 1 54 LEU MD2 1 55 LYS H . . 5.270 4.160 2.550 5.263 . 0 0 "[ . 1 . 2]" 1
960 1 54 LEU HG 1 56 VAL QG . . 4.970 3.064 2.098 4.524 . 0 0 "[ . 1 . 2]" 1
961 1 55 LYS H 1 55 LYS HE3 . . 4.770 3.795 2.759 4.707 . 0 0 "[ . 1 . 2]" 1
962 1 55 LYS H 1 56 VAL H . . 4.670 4.250 4.147 4.319 . 0 0 "[ . 1 . 2]" 1
963 1 55 LYS H 1 56 VAL QG . . 4.810 4.468 4.311 4.675 . 0 0 "[ . 1 . 2]" 1
964 1 55 LYS HA 1 56 VAL H . . 3.130 2.207 2.109 2.302 . 0 0 "[ . 1 . 2]" 1
965 1 55 LYS HA 1 56 VAL QG . . 4.250 3.812 3.641 3.965 . 0 0 "[ . 1 . 2]" 1
966 1 55 LYS HG3 1 56 VAL H . . 5.500 4.652 4.500 4.926 . 0 0 "[ . 1 . 2]" 1
967 1 56 VAL H 1 56 VAL HB . . 3.730 2.576 2.526 2.667 . 0 0 "[ . 1 . 2]" 1
968 1 56 VAL H 1 56 VAL MG1 . . 4.000 3.854 3.811 3.903 . 0 0 "[ . 1 . 2]" 1
969 1 56 VAL H 1 56 VAL QG . . 3.170 2.326 2.224 2.487 . 0 0 "[ . 1 . 2]" 1
970 1 56 VAL H 1 56 VAL MG2 . . 4.000 2.345 2.238 2.516 . 0 0 "[ . 1 . 2]" 1
971 1 56 VAL H 1 57 GLU H . . 4.560 4.395 4.309 4.468 . 0 0 "[ . 1 . 2]" 1
972 1 56 VAL H 1 64 LEU QD . . 5.440 5.219 5.082 5.359 . 0 0 "[ . 1 . 2]" 1
973 1 56 VAL HA 1 56 VAL MG1 . . 3.230 2.384 2.301 2.421 . 0 0 "[ . 1 . 2]" 1
974 1 56 VAL HA 1 56 VAL QG . . 2.730 2.173 2.081 2.212 . 0 0 "[ . 1 . 2]" 1
975 1 56 VAL HA 1 56 VAL MG2 . . 3.230 2.509 2.343 2.585 . 0 0 "[ . 1 . 2]" 1
976 1 56 VAL HA 1 57 GLU H . . 3.260 2.038 1.993 2.174 . 0 0 "[ . 1 . 2]" 1
977 1 56 VAL HB 1 57 GLU H . . 4.660 4.283 4.217 4.344 . 0 0 "[ . 1 . 2]" 1
978 1 56 VAL HB 1 64 LEU QD . . 4.690 3.989 3.618 4.363 . 0 0 "[ . 1 . 2]" 1
979 1 56 VAL QG 1 57 GLU H . . 3.640 2.894 2.697 3.032 . 0 0 "[ . 1 . 2]" 1
980 1 56 VAL QG 1 58 ASP H . . 5.280 3.892 3.059 4.662 . 0 0 "[ . 1 . 2]" 1
981 1 56 VAL QG 1 64 LEU QD . . 3.040 1.977 1.859 2.083 . 0 0 "[ . 1 . 2]" 1
982 1 56 VAL QG 1 68 PHE QE . . 5.080 4.542 4.323 4.790 . 0 0 "[ . 1 . 2]" 1
983 1 56 VAL MG1 1 57 GLU H . . 4.340 2.953 2.741 3.105 . 0 0 "[ . 1 . 2]" 1
984 1 56 VAL MG2 1 57 GLU H . . 4.340 4.160 4.009 4.288 . 0 0 "[ . 1 . 2]" 1
985 1 57 GLU H 1 57 GLU HB3 . . 3.980 2.799 2.609 3.593 . 0 0 "[ . 1 . 2]" 1
986 1 57 GLU H 1 57 GLU HG3 . . 4.650 4.177 2.853 4.330 . 0 0 "[ . 1 . 2]" 1
987 1 57 GLU H 1 58 ASP H . . 4.520 4.289 3.854 4.555 0.035 7 0 "[ . 1 . 2]" 1
988 1 57 GLU HA 1 57 GLU HG3 . . 4.250 2.341 2.216 2.890 . 0 0 "[ . 1 . 2]" 1
989 1 58 ASP H 1 73 TRP HE1 . . 5.370 5.040 4.362 5.407 0.037 3 0 "[ . 1 . 2]" 1
990 1 58 ASP H 1 73 TRP HH2 . . 5.420 5.049 4.827 5.261 . 0 0 "[ . 1 . 2]" 1
991 1 58 ASP HA 1 59 GLY H . . 3.300 2.792 2.167 3.495 0.195 6 0 "[ . 1 . 2]" 1
992 1 58 ASP HA 1 73 TRP HE1 . . 5.500 4.740 4.055 5.239 . 0 0 "[ . 1 . 2]" 1
993 1 58 ASP HB3 1 73 TRP HE1 . . 3.830 2.626 2.243 3.839 0.009 7 0 "[ . 1 . 2]" 1
994 1 59 GLY H 1 60 PRO HA . . 5.320 5.270 4.950 5.512 0.192 6 0 "[ . 1 . 2]" 1
995 1 59 GLY H 1 73 TRP HE1 . . 5.500 4.387 2.366 5.460 . 0 0 "[ . 1 . 2]" 1
996 1 59 GLY QA 1 60 PRO HA . . 4.340 4.045 3.954 4.173 . 0 0 "[ . 1 . 2]" 1
997 1 59 GLY QA 1 60 PRO HD3 . . 3.400 2.371 2.090 2.625 . 0 0 "[ . 1 . 2]" 1
998 1 64 LEU H 1 64 LEU HG . . 4.620 4.572 4.450 4.796 0.176 6 0 "[ . 1 . 2]" 1
999 1 64 LEU HA 1 64 LEU MD1 . . 3.840 2.100 2.057 2.166 . 0 0 "[ . 1 . 2]" 1
1000 1 64 LEU HA 1 64 LEU QD . . 2.920 2.091 2.049 2.155 . 0 0 "[ . 1 . 2]" 1
1001 1 64 LEU HA 1 64 LEU MD2 . . 3.840 3.837 3.812 3.856 0.016 12 0 "[ . 1 . 2]" 1
1002 1 64 LEU HA 1 64 LEU HG . . 3.910 3.050 2.621 3.205 . 0 0 "[ . 1 . 2]" 1
1003 1 64 LEU HA 1 65 GLY HA2 . . 4.940 4.848 4.782 4.878 . 0 0 "[ . 1 . 2]" 1
1004 1 64 LEU HA 1 67 SER H . . 4.660 3.315 3.112 3.484 . 0 0 "[ . 1 . 2]" 1
1005 1 64 LEU HA 1 68 PHE QD . . 4.200 4.034 3.640 4.237 0.037 14 0 "[ . 1 . 2]" 1
1006 1 64 LEU HA 1 68 PHE QE . . 4.840 4.910 4.741 4.998 0.158 16 0 "[ . 1 . 2]" 1
1007 1 64 LEU HB3 1 64 LEU MD1 . . 3.380 3.263 3.230 3.285 . 0 0 "[ . 1 . 2]" 1
1008 1 64 LEU HB3 1 64 LEU MD2 . . 3.380 2.354 2.251 2.414 . 0 0 "[ . 1 . 2]" 1
1009 1 64 LEU QD 1 65 GLY H . . 4.410 4.153 3.930 4.311 . 0 0 "[ . 1 . 2]" 1
1010 1 64 LEU QD 1 67 SER H . . 5.140 4.047 3.672 4.479 . 0 0 "[ . 1 . 2]" 1
1011 1 64 LEU QD 1 68 PHE QD . . 3.510 2.992 2.550 3.268 . 0 0 "[ . 1 . 2]" 1
1012 1 64 LEU QD 1 68 PHE QE . . 2.870 2.234 2.055 2.398 . 0 0 "[ . 1 . 2]" 1
1013 1 64 LEU MD1 1 65 GLY H . . 5.240 4.694 4.489 4.872 . 0 0 "[ . 1 . 2]" 1
1014 1 64 LEU MD1 1 68 PHE QD . . 4.590 3.159 2.583 3.876 . 0 0 "[ . 1 . 2]" 1
1015 1 64 LEU MD1 1 68 PHE QE . . 3.550 2.562 2.133 3.210 . 0 0 "[ . 1 . 2]" 1
1016 1 64 LEU MD2 1 65 GLY H . . 5.240 4.638 4.288 4.876 . 0 0 "[ . 1 . 2]" 1
1017 1 64 LEU MD2 1 68 PHE QD . . 4.590 3.860 3.517 4.051 . 0 0 "[ . 1 . 2]" 1
1018 1 64 LEU MD2 1 68 PHE QE . . 3.550 2.590 2.388 3.080 . 0 0 "[ . 1 . 2]" 1
1019 1 64 LEU HG 1 65 GLY H . . 5.210 4.147 3.824 4.472 . 0 0 "[ . 1 . 2]" 1
1020 1 64 LEU HG 1 68 PHE QD . . 3.910 2.389 2.271 2.514 . 0 0 "[ . 1 . 2]" 1
1021 1 64 LEU HG 1 68 PHE QE . . 3.510 2.326 2.132 2.652 . 0 0 "[ . 1 . 2]" 1
1022 1 64 LEU HG 1 68 PHE HZ . . 5.500 4.751 4.526 5.050 . 0 0 "[ . 1 . 2]" 1
1023 1 65 GLY H 1 66 ARG H . . 4.680 2.802 2.722 2.867 . 0 0 "[ . 1 . 2]" 1
1024 1 65 GLY H 1 70 VAL QG . . 5.440 4.379 4.146 4.635 . 0 0 "[ . 1 . 2]" 1
1025 1 65 GLY HA2 1 67 SER H . . 4.830 4.266 4.069 4.565 . 0 0 "[ . 1 . 2]" 1
1026 1 65 GLY HA2 1 68 PHE H . . 4.260 3.149 3.002 3.253 . 0 0 "[ . 1 . 2]" 1
1027 1 65 GLY HA2 1 68 PHE QD . . 3.900 3.240 2.980 3.626 . 0 0 "[ . 1 . 2]" 1
1028 1 65 GLY HA2 1 68 PHE QE . . 5.500 5.279 5.030 5.517 0.017 13 0 "[ . 1 . 2]" 1
1029 1 65 GLY HA2 1 69 GLN H . . 4.550 4.579 4.564 4.621 0.071 8 0 "[ . 1 . 2]" 1
1030 1 65 GLY HA2 1 70 VAL QG . . 3.630 2.423 2.236 2.743 . 0 0 "[ . 1 . 2]" 1
1031 1 65 GLY HA3 1 68 PHE H . . 4.750 4.480 4.355 4.582 . 0 0 "[ . 1 . 2]" 1
1032 1 65 GLY HA3 1 70 VAL H . . 4.670 4.343 4.212 4.526 . 0 0 "[ . 1 . 2]" 1
1033 1 65 GLY HA3 1 70 VAL MG1 . . 4.700 4.006 3.695 4.416 . 0 0 "[ . 1 . 2]" 1
1034 1 65 GLY HA3 1 70 VAL QG . . 3.900 2.702 2.442 2.956 . 0 0 "[ . 1 . 2]" 1
1035 1 65 GLY HA3 1 70 VAL MG2 . . 4.700 2.749 2.471 3.007 . 0 0 "[ . 1 . 2]" 1
1036 1 66 ARG H 1 66 ARG HB3 . . 3.820 2.466 2.285 2.635 . 0 0 "[ . 1 . 2]" 1
1037 1 66 ARG H 1 66 ARG HG3 . . 4.550 4.469 4.363 4.522 . 0 0 "[ . 1 . 2]" 1
1038 1 66 ARG H 1 67 SER H . . 3.950 2.699 2.544 2.896 . 0 0 "[ . 1 . 2]" 1
1039 1 66 ARG H 1 67 SER HA . . 5.500 5.372 5.261 5.513 0.013 16 0 "[ . 1 . 2]" 1
1040 1 66 ARG H 1 69 GLN H . . 5.330 4.871 4.702 5.016 . 0 0 "[ . 1 . 2]" 1
1041 1 66 ARG H 1 70 VAL QG . . 4.610 4.625 4.492 4.807 0.197 11 0 "[ . 1 . 2]" 1
1042 1 66 ARG HA 1 66 ARG HG3 . . 3.420 2.579 2.420 2.782 . 0 0 "[ . 1 . 2]" 1
1043 1 66 ARG HG3 1 67 SER H . . 4.920 4.773 4.386 4.935 0.015 18 0 "[ . 1 . 2]" 1
1044 1 67 SER H 1 68 PHE H . . 3.680 2.546 2.461 2.631 . 0 0 "[ . 1 . 2]" 1
1045 1 67 SER H 1 68 PHE HA . . 5.190 5.259 5.204 5.315 0.125 7 0 "[ . 1 . 2]" 1
1046 1 67 SER H 1 69 GLN H . . 4.210 3.864 3.713 4.083 . 0 0 "[ . 1 . 2]" 1
1047 1 67 SER HA 1 69 GLN H . . 4.340 3.586 3.369 3.870 . 0 0 "[ . 1 . 2]" 1
1048 1 68 PHE H 1 68 PHE HB3 . . 3.730 3.521 3.408 3.605 . 0 0 "[ . 1 . 2]" 1
1049 1 68 PHE H 1 68 PHE QD . . 3.330 2.814 2.527 3.105 . 0 0 "[ . 1 . 2]" 1
1050 1 68 PHE H 1 68 PHE QE . . 5.260 5.011 4.786 5.274 0.014 7 0 "[ . 1 . 2]" 1
1051 1 68 PHE H 1 69 GLN H . . 3.360 2.457 2.327 2.616 . 0 0 "[ . 1 . 2]" 1
1052 1 68 PHE H 1 69 GLN HA . . 4.780 4.637 4.479 4.809 0.029 4 0 "[ . 1 . 2]" 1
1053 1 68 PHE H 1 69 GLN HE22 . . 5.500 4.915 4.429 5.580 0.080 13 0 "[ . 1 . 2]" 1
1054 1 68 PHE H 1 70 VAL H . . 4.360 4.009 3.808 4.127 . 0 0 "[ . 1 . 2]" 1
1055 1 68 PHE H 1 70 VAL HB . . 5.500 5.393 5.142 5.574 0.074 7 0 "[ . 1 . 2]" 1
1056 1 68 PHE H 1 70 VAL QG . . 4.250 3.830 3.644 3.979 . 0 0 "[ . 1 . 2]" 1
1057 1 68 PHE HA 1 68 PHE QD . . 2.940 2.907 2.750 2.995 0.055 17 0 "[ . 1 . 2]" 1
1058 1 68 PHE HA 1 68 PHE QE . . 4.500 4.515 4.380 4.573 0.073 8 0 "[ . 1 . 2]" 1
1059 1 68 PHE HA 1 69 GLN HE21 . . 3.190 3.056 2.590 3.263 0.073 7 0 "[ . 1 . 2]" 1
1060 1 68 PHE HA 1 69 GLN HE22 . . 3.500 3.126 2.852 3.503 0.003 15 0 "[ . 1 . 2]" 1
1061 1 68 PHE HA 1 77 VAL QG . . 4.490 4.216 4.114 4.308 . 0 0 "[ . 1 . 2]" 1
1062 1 68 PHE HB3 1 69 GLN H . . 4.340 4.051 3.861 4.209 . 0 0 "[ . 1 . 2]" 1
1063 1 68 PHE HB3 1 70 VAL H . . 4.320 3.975 3.683 4.155 . 0 0 "[ . 1 . 2]" 1
1064 1 68 PHE HB3 1 70 VAL QG . . 3.760 2.550 2.360 2.694 . 0 0 "[ . 1 . 2]" 1
1065 1 68 PHE HB3 1 77 VAL MG1 . . 4.730 4.079 3.965 4.252 . 0 0 "[ . 1 . 2]" 1
1066 1 68 PHE HB3 1 77 VAL MG2 . . 4.730 2.666 2.534 2.951 . 0 0 "[ . 1 . 2]" 1
1067 1 68 PHE QD 1 69 GLN H . . 5.500 4.821 4.747 4.919 . 0 0 "[ . 1 . 2]" 1
1068 1 68 PHE QD 1 70 VAL QG . . 4.060 3.883 3.825 3.931 . 0 0 "[ . 1 . 2]" 1
1069 1 68 PHE QD 1 77 VAL HA . . 5.440 5.422 5.225 5.501 0.061 4 0 "[ . 1 . 2]" 1
1070 1 68 PHE QD 1 77 VAL HB . . 4.130 3.566 3.033 3.872 . 0 0 "[ . 1 . 2]" 1
1071 1 68 PHE QD 1 77 VAL MG1 . . 3.180 2.283 2.214 2.368 . 0 0 "[ . 1 . 2]" 1
1072 1 68 PHE QD 1 77 VAL MG2 . . 3.180 2.344 2.115 2.558 . 0 0 "[ . 1 . 2]" 1
1073 1 68 PHE QD 1 87 ARG HB3 . . 5.500 5.259 5.121 5.372 . 0 0 "[ . 1 . 2]" 1
1074 1 68 PHE QE 1 77 VAL HA . . 5.500 5.457 5.011 5.588 0.088 10 0 "[ . 1 . 2]" 1
1075 1 68 PHE QE 1 77 VAL QG . . 3.500 2.188 2.123 2.273 . 0 0 "[ . 1 . 2]" 1
1076 1 68 PHE QE 1 79 LEU HA . . 5.440 5.521 5.371 5.605 0.165 13 0 "[ . 1 . 2]" 1
1077 1 68 PHE QE 1 79 LEU MD1 . . 4.180 2.385 1.948 3.555 . 0 0 "[ . 1 . 2]" 1
1078 1 68 PHE QE 1 79 LEU QD . . 2.830 2.057 1.922 2.219 . 0 0 "[ . 1 . 2]" 1
1079 1 68 PHE QE 1 79 LEU MD2 . . 4.180 2.846 2.070 3.344 . 0 0 "[ . 1 . 2]" 1
1080 1 68 PHE QE 1 79 LEU HG . . 4.650 4.120 3.534 4.456 . 0 0 "[ . 1 . 2]" 1
1081 1 68 PHE QE 1 84 GLU HA . . 4.910 4.571 4.186 4.959 0.049 8 0 "[ . 1 . 2]" 1
1082 1 68 PHE HZ 1 77 VAL HB . . 4.460 4.331 4.122 4.501 0.041 17 0 "[ . 1 . 2]" 1
1083 1 68 PHE HZ 1 79 LEU MD1 . . 4.210 2.731 2.313 3.134 . 0 0 "[ . 1 . 2]" 1
1084 1 68 PHE HZ 1 79 LEU QD . . 3.610 2.331 2.003 2.638 . 0 0 "[ . 1 . 2]" 1
1085 1 68 PHE HZ 1 79 LEU MD2 . . 4.210 2.577 2.164 3.178 . 0 0 "[ . 1 . 2]" 1
1086 1 69 GLN H 1 69 GLN HA . . 2.930 2.266 2.252 2.284 . 0 0 "[ . 1 . 2]" 1
1087 1 69 GLN H 1 69 GLN HB3 . . 4.100 4.020 3.984 4.051 . 0 0 "[ . 1 . 2]" 1
1088 1 69 GLN H 1 69 GLN HE21 . . 4.010 3.423 2.996 3.679 . 0 0 "[ . 1 . 2]" 1
1089 1 69 GLN H 1 69 GLN HE22 . . 5.050 4.093 3.659 4.739 . 0 0 "[ . 1 . 2]" 1
1090 1 69 GLN H 1 70 VAL H . . 3.410 2.795 2.685 2.878 . 0 0 "[ . 1 . 2]" 1
1091 1 69 GLN H 1 70 VAL HB . . 5.500 4.899 4.794 4.988 . 0 0 "[ . 1 . 2]" 1
1092 1 69 GLN H 1 70 VAL QG . . 4.250 3.928 3.827 4.054 . 0 0 "[ . 1 . 2]" 1
1093 1 69 GLN HA 1 69 GLN HB3 . . 2.710 2.436 2.384 2.489 . 0 0 "[ . 1 . 2]" 1
1094 1 69 GLN HA 1 70 VAL H . . 3.350 2.663 2.565 2.849 . 0 0 "[ . 1 . 2]" 1
1095 1 69 GLN HA 1 70 VAL QG . . 4.660 4.407 4.333 4.498 . 0 0 "[ . 1 . 2]" 1
1096 1 69 GLN HB3 1 70 VAL H . . 4.660 4.474 4.427 4.544 . 0 0 "[ . 1 . 2]" 1
1097 1 69 GLN HE21 1 70 VAL H . . 5.500 5.458 5.171 5.527 0.027 16 0 "[ . 1 . 2]" 1
1098 1 69 GLN HE21 1 70 VAL QG . . 5.440 5.743 5.575 5.868 0.428 13 0 "[ . 1 . 2]" 1
1099 1 70 VAL H 1 70 VAL HB . . 3.550 2.294 2.227 2.358 . 0 0 "[ . 1 . 2]" 1
1100 1 70 VAL H 1 70 VAL MG1 . . 3.850 3.739 3.703 3.771 . 0 0 "[ . 1 . 2]" 1
1101 1 70 VAL H 1 70 VAL QG . . 2.990 2.329 2.262 2.406 . 0 0 "[ . 1 . 2]" 1
1102 1 70 VAL H 1 70 VAL MG2 . . 3.850 2.353 2.281 2.436 . 0 0 "[ . 1 . 2]" 1
1103 1 70 VAL H 1 75 THR MG . . 5.390 5.304 5.146 5.395 0.005 8 0 "[ . 1 . 2]" 1
1104 1 70 VAL HA 1 70 VAL MG1 . . 3.710 2.624 2.564 2.695 . 0 0 "[ . 1 . 2]" 1
1105 1 70 VAL HA 1 70 VAL QG . . 2.970 2.143 2.107 2.163 . 0 0 "[ . 1 . 2]" 1
1106 1 70 VAL HA 1 70 VAL MG2 . . 3.710 2.273 2.209 2.331 . 0 0 "[ . 1 . 2]" 1
1107 1 70 VAL HA 1 75 THR MG . . 3.820 3.259 2.814 3.627 . 0 0 "[ . 1 . 2]" 1
1108 1 70 VAL HB 1 71 LYS H . . 4.360 4.281 4.158 4.388 0.028 13 0 "[ . 1 . 2]" 1
1109 1 70 VAL QG 1 71 LYS H . . 3.800 2.538 2.350 2.761 . 0 0 "[ . 1 . 2]" 1
1110 1 70 VAL QG 1 72 LEU H . . 3.760 3.006 2.290 3.910 0.150 15 0 "[ . 1 . 2]" 1
1111 1 70 VAL QG 1 73 TRP H . . 5.160 3.917 3.524 4.261 . 0 0 "[ . 1 . 2]" 1
1112 1 70 VAL QG 1 73 TRP HA . . 4.130 2.546 2.301 2.688 . 0 0 "[ . 1 . 2]" 1
1113 1 70 VAL QG 1 73 TRP HB3 . . 5.440 4.895 4.689 4.986 . 0 0 "[ . 1 . 2]" 1
1114 1 70 VAL QG 1 75 THR H . . 4.360 3.785 3.313 4.038 . 0 0 "[ . 1 . 2]" 1
1115 1 70 VAL QG 1 75 THR HB . . 3.420 2.098 1.998 2.187 . 0 0 "[ . 1 . 2]" 1
1116 1 70 VAL QG 1 77 VAL QG . . 3.540 2.929 2.773 3.130 . 0 0 "[ . 1 . 2]" 1
1117 1 70 VAL MG1 1 71 LYS H . . 4.640 2.588 2.381 2.825 . 0 0 "[ . 1 . 2]" 1
1118 1 70 VAL MG1 1 75 THR H . . 5.350 3.950 3.435 4.233 . 0 0 "[ . 1 . 2]" 1
1119 1 70 VAL MG1 1 75 THR HB . . 4.030 2.155 2.074 2.254 . 0 0 "[ . 1 . 2]" 1
1120 1 70 VAL MG1 1 75 THR MG . . 3.210 2.482 2.200 3.174 . 0 0 "[ . 1 . 2]" 1
1121 1 70 VAL MG2 1 71 LYS H . . 4.640 3.679 3.534 3.890 . 0 0 "[ . 1 . 2]" 1
1122 1 70 VAL MG2 1 75 THR H . . 5.350 4.852 4.349 5.168 . 0 0 "[ . 1 . 2]" 1
1123 1 70 VAL MG2 1 75 THR HB . . 4.030 2.924 2.533 3.268 . 0 0 "[ . 1 . 2]" 1
1124 1 70 VAL MG2 1 75 THR MG . . 3.210 2.403 2.223 2.797 . 0 0 "[ . 1 . 2]" 1
1125 1 71 LYS H 1 72 LEU H . . 3.910 2.878 2.578 3.509 . 0 0 "[ . 1 . 2]" 1
1126 1 71 LYS H 1 75 THR MG . . 4.560 3.252 2.205 4.179 . 0 0 "[ . 1 . 2]" 1
1127 1 71 LYS H 1 89 VAL MG1 . . 4.880 4.333 3.729 4.884 0.004 18 0 "[ . 1 . 2]" 1
1128 1 71 LYS H 1 89 VAL MG2 . . 4.880 3.683 3.187 4.441 . 0 0 "[ . 1 . 2]" 1
1129 1 71 LYS HA 1 71 LYS HG3 . . 3.750 3.043 2.265 3.812 0.062 14 0 "[ . 1 . 2]" 1
1130 1 71 LYS HB3 1 72 LEU H . . 3.650 2.963 2.285 3.689 0.039 16 0 "[ . 1 . 2]" 1
1131 1 72 LEU H 1 72 LEU HB3 . . 3.790 2.681 2.522 2.904 . 0 0 "[ . 1 . 2]" 1
1132 1 72 LEU H 1 72 LEU QD . . 3.880 3.856 3.720 4.020 0.140 14 0 "[ . 1 . 2]" 1
1133 1 72 LEU H 1 72 LEU HG . . 4.840 4.586 4.540 4.650 . 0 0 "[ . 1 . 2]" 1
1134 1 72 LEU H 1 73 TRP H . . 4.680 4.056 3.421 4.615 . 0 0 "[ . 1 . 2]" 1
1135 1 72 LEU H 1 89 VAL QG . . 3.630 2.549 2.096 3.284 . 0 0 "[ . 1 . 2]" 1
1136 1 72 LEU HA 1 72 LEU QD . . 3.650 2.138 2.098 2.192 . 0 0 "[ . 1 . 2]" 1
1137 1 72 LEU HA 1 72 LEU HG . . 4.200 2.878 2.628 3.084 . 0 0 "[ . 1 . 2]" 1
1138 1 72 LEU HA 1 73 TRP H . . 3.210 2.824 2.207 3.310 0.100 3 0 "[ . 1 . 2]" 1
1139 1 72 LEU HA 1 89 VAL QG . . 5.060 4.138 3.890 4.505 . 0 0 "[ . 1 . 2]" 1
1140 1 72 LEU QD 1 73 TRP H . . 3.740 2.867 2.664 3.070 . 0 0 "[ . 1 . 2]" 1
1141 1 72 LEU QD 1 73 TRP HE3 . . 5.440 5.413 5.354 5.476 0.036 11 0 "[ . 1 . 2]" 1
1142 1 72 LEU QD 1 89 VAL QG . . 3.650 2.684 2.123 3.072 . 0 0 "[ . 1 . 2]" 1
1143 1 72 LEU QD 1 90 ARG HA . . 3.420 3.394 3.304 3.526 0.106 13 0 "[ . 1 . 2]" 1
1144 1 72 LEU MD1 1 73 TRP H . . 4.640 3.321 2.922 3.592 . 0 0 "[ . 1 . 2]" 1
1145 1 72 LEU MD2 1 73 TRP H . . 4.640 3.394 2.759 4.160 . 0 0 "[ . 1 . 2]" 1
1146 1 72 LEU HG 1 73 TRP H . . 3.890 2.126 1.836 2.504 . 0 0 "[ . 1 . 2]" 1
1147 1 72 LEU HG 1 73 TRP HE3 . . 5.500 5.590 5.559 5.622 0.122 11 0 "[ . 1 . 2]" 1
1148 1 72 LEU HG 1 74 PRO HD3 . . 3.610 3.492 3.119 3.648 0.038 11 0 "[ . 1 . 2]" 1
1149 1 72 LEU HG 1 89 VAL QG . . 4.920 4.161 3.849 4.405 . 0 0 "[ . 1 . 2]" 1
1150 1 73 TRP H 1 73 TRP HB3 . . 4.000 2.796 2.509 3.157 . 0 0 "[ . 1 . 2]" 1
1151 1 73 TRP H 1 73 TRP HE3 . . 5.110 4.882 4.712 5.087 . 0 0 "[ . 1 . 2]" 1
1152 1 73 TRP H 1 74 PRO HD3 . . 5.500 3.319 2.972 3.597 . 0 0 "[ . 1 . 2]" 1
1153 1 73 TRP H 1 89 VAL QG . . 5.440 4.251 3.432 4.916 . 0 0 "[ . 1 . 2]" 1
1154 1 73 TRP HA 1 73 TRP HE1 . . 4.890 4.900 4.782 4.953 0.063 15 0 "[ . 1 . 2]" 1
1155 1 73 TRP HA 1 73 TRP HE3 . . 4.890 4.666 4.476 4.839 . 0 0 "[ . 1 . 2]" 1
1156 1 73 TRP HA 1 75 THR H . . 4.840 4.646 4.162 4.868 0.028 6 0 "[ . 1 . 2]" 1
1157 1 73 TRP HB3 1 73 TRP HE3 . . 3.450 2.494 2.397 2.580 . 0 0 "[ . 1 . 2]" 1
1158 1 73 TRP HB3 1 73 TRP HZ3 . . 5.500 4.911 4.812 4.990 . 0 0 "[ . 1 . 2]" 1
1159 1 73 TRP HB3 1 74 PRO HA . . 4.410 4.565 4.516 4.597 0.187 3 0 "[ . 1 . 2]" 1
1160 1 73 TRP HB3 1 74 PRO HD3 . . 4.030 2.183 2.106 2.263 . 0 0 "[ . 1 . 2]" 1
1161 1 73 TRP HE3 1 74 PRO HA . . 4.210 3.724 3.479 4.126 . 0 0 "[ . 1 . 2]" 1
1162 1 73 TRP HE3 1 74 PRO HB3 . . 5.470 3.348 3.051 3.658 . 0 0 "[ . 1 . 2]" 1
1163 1 73 TRP HE3 1 74 PRO HD3 . . 4.210 2.357 2.210 2.641 . 0 0 "[ . 1 . 2]" 1
1164 1 73 TRP HZ3 1 74 PRO HB3 . . 4.450 4.221 3.899 4.475 0.025 16 0 "[ . 1 . 2]" 1
1165 1 74 PRO HB3 1 75 THR H . . 4.610 4.413 4.338 4.550 . 0 0 "[ . 1 . 2]" 1
1166 1 74 PRO HD3 1 75 THR H . . 5.320 5.229 5.018 5.324 0.004 7 0 "[ . 1 . 2]" 1
1167 1 75 THR H 1 75 THR HB . . 3.990 2.714 2.547 2.853 . 0 0 "[ . 1 . 2]" 1
1168 1 75 THR H 1 75 THR MG . . 4.330 3.900 3.834 3.950 . 0 0 "[ . 1 . 2]" 1
1169 1 75 THR H 1 76 PHE H . . 4.690 4.297 4.181 4.413 . 0 0 "[ . 1 . 2]" 1
1170 1 75 THR H 1 76 PHE HA . . 4.870 4.791 4.645 4.906 0.036 19 0 "[ . 1 . 2]" 1
1171 1 75 THR HA 1 75 THR MG . . 3.470 2.514 2.415 2.597 . 0 0 "[ . 1 . 2]" 1
1172 1 75 THR HA 1 76 PHE H . . 3.090 2.153 2.113 2.205 . 0 0 "[ . 1 . 2]" 1
1173 1 75 THR HA 1 76 PHE HA . . 4.550 4.419 4.383 4.445 . 0 0 "[ . 1 . 2]" 1
1174 1 75 THR HA 1 76 PHE HB3 . . 5.170 4.927 4.847 4.999 . 0 0 "[ . 1 . 2]" 1
1175 1 75 THR HA 1 76 PHE QD . . 3.470 3.460 3.320 3.512 0.042 19 0 "[ . 1 . 2]" 1
1176 1 75 THR HA 1 76 PHE HZ . . 5.310 5.363 5.315 5.423 0.113 19 0 "[ . 1 . 2]" 1
1177 1 75 THR HA 1 88 VAL H . . 5.390 4.908 4.778 5.024 . 0 0 "[ . 1 . 2]" 1
1178 1 75 THR HA 1 89 VAL H . . 5.500 4.985 4.818 5.098 . 0 0 "[ . 1 . 2]" 1
1179 1 75 THR HA 1 89 VAL HB . . 5.500 4.738 3.254 5.551 0.051 9 0 "[ . 1 . 2]" 1
1180 1 75 THR HA 1 89 VAL MG1 . . 4.630 4.227 3.877 4.679 0.049 18 0 "[ . 1 . 2]" 1
1181 1 75 THR HA 1 89 VAL MG2 . . 4.630 3.633 3.289 3.884 . 0 0 "[ . 1 . 2]" 1
1182 1 75 THR HA 1 90 ARG H . . 4.430 3.395 3.160 3.744 . 0 0 "[ . 1 . 2]" 1
1183 1 75 THR HB 1 76 PHE H . . 4.270 4.081 4.013 4.175 . 0 0 "[ . 1 . 2]" 1
1184 1 75 THR HB 1 89 VAL QG . . 4.380 3.884 3.651 4.185 . 0 0 "[ . 1 . 2]" 1
1185 1 75 THR MG 1 76 PHE H . . 3.410 2.439 2.332 2.583 . 0 0 "[ . 1 . 2]" 1
1186 1 75 THR MG 1 77 VAL H . . 4.110 3.979 3.730 4.126 0.016 18 0 "[ . 1 . 2]" 1
1187 1 75 THR MG 1 77 VAL QG . . 2.890 2.466 2.258 2.691 . 0 0 "[ . 1 . 2]" 1
1188 1 75 THR MG 1 88 VAL H . . 4.380 3.722 3.452 4.095 . 0 0 "[ . 1 . 2]" 1
1189 1 76 PHE H 1 76 PHE HB3 . . 3.810 3.628 3.567 3.662 . 0 0 "[ . 1 . 2]" 1
1190 1 76 PHE H 1 76 PHE HZ . . 5.110 5.145 5.086 5.193 0.083 12 0 "[ . 1 . 2]" 1
1191 1 76 PHE H 1 77 VAL H . . 4.410 4.239 4.217 4.263 . 0 0 "[ . 1 . 2]" 1
1192 1 76 PHE H 1 77 VAL QG . . 4.790 4.073 3.891 4.189 . 0 0 "[ . 1 . 2]" 1
1193 1 76 PHE H 1 87 ARG HA . . 5.500 5.009 4.931 5.087 . 0 0 "[ . 1 . 2]" 1
1194 1 76 PHE H 1 88 VAL H . . 3.870 3.214 3.142 3.285 . 0 0 "[ . 1 . 2]" 1
1195 1 76 PHE H 1 88 VAL HB . . 3.990 3.904 3.780 4.024 0.034 10 0 "[ . 1 . 2]" 1
1196 1 76 PHE H 1 88 VAL MG1 . . 4.430 4.300 4.161 4.435 0.005 16 0 "[ . 1 . 2]" 1
1197 1 76 PHE H 1 89 VAL H . . 5.360 5.106 5.022 5.186 . 0 0 "[ . 1 . 2]" 1
1198 1 76 PHE H 1 89 VAL MG1 . . 5.500 5.310 5.090 5.442 . 0 0 "[ . 1 . 2]" 1
1199 1 76 PHE H 1 89 VAL QG . . 4.430 4.248 3.914 4.573 0.143 11 0 "[ . 1 . 2]" 1
1200 1 76 PHE H 1 89 VAL MG2 . . 5.500 4.507 4.041 5.069 . 0 0 "[ . 1 . 2]" 1
1201 1 76 PHE H 1 90 ARG H . . 5.500 5.114 4.862 5.448 . 0 0 "[ . 1 . 2]" 1
1202 1 76 PHE HA 1 77 VAL H . . 2.990 2.069 2.038 2.094 . 0 0 "[ . 1 . 2]" 1
1203 1 76 PHE HA 1 88 VAL H . . 5.500 4.937 4.900 4.973 . 0 0 "[ . 1 . 2]" 1
1204 1 76 PHE HB3 1 77 VAL H . . 4.300 3.836 3.777 3.882 . 0 0 "[ . 1 . 2]" 1
1205 1 76 PHE HB3 1 97 LEU QD . . 5.440 5.225 5.202 5.258 . 0 0 "[ . 1 . 2]" 1
1206 1 76 PHE QD 1 77 VAL HA . . 5.500 5.161 5.078 5.256 . 0 0 "[ . 1 . 2]" 1
1207 1 76 PHE QD 1 78 PHE H . . 5.500 5.573 5.547 5.600 0.100 13 0 "[ . 1 . 2]" 1
1208 1 76 PHE QD 1 78 PHE HD1 . . 4.670 4.220 4.156 4.305 . 0 0 "[ . 1 . 2]" 1
1209 1 76 PHE QD 1 78 PHE HZ . . 3.260 3.044 2.939 3.104 . 0 0 "[ . 1 . 2]" 1
1210 1 76 PHE QD 1 87 ARG HA . . 4.990 4.845 4.771 4.885 . 0 0 "[ . 1 . 2]" 1
1211 1 76 PHE QD 1 88 VAL H . . 4.300 3.613 3.546 3.653 . 0 0 "[ . 1 . 2]" 1
1212 1 76 PHE QD 1 88 VAL HB . . 4.260 2.712 2.652 2.768 . 0 0 "[ . 1 . 2]" 1
1213 1 76 PHE QD 1 97 LEU QD . . 4.160 3.256 3.221 3.280 . 0 0 "[ . 1 . 2]" 1
1214 1 76 PHE QE 1 88 VAL HB . . 4.190 2.266 2.223 2.324 . 0 0 "[ . 1 . 2]" 1
1215 1 76 PHE QE 1 88 VAL MG2 . . 3.710 2.793 2.675 2.985 . 0 0 "[ . 1 . 2]" 1
1216 1 76 PHE QE 1 97 LEU HA . . 3.940 3.932 3.850 3.968 0.028 15 0 "[ . 1 . 2]" 1
1217 1 76 PHE QE 1 97 LEU HB3 . . 5.390 5.024 4.972 5.060 . 0 0 "[ . 1 . 2]" 1
1218 1 76 PHE QE 1 97 LEU MD1 . . 4.250 2.958 2.856 3.011 . 0 0 "[ . 1 . 2]" 1
1219 1 76 PHE QE 1 97 LEU QD . . 3.120 1.925 1.902 1.979 . 0 0 "[ . 1 . 2]" 1
1220 1 76 PHE QE 1 97 LEU MD2 . . 4.250 1.950 1.926 2.012 . 0 0 "[ . 1 . 2]" 1
1221 1 76 PHE QE 1 97 LEU HG . . 4.000 2.762 2.637 2.851 . 0 0 "[ . 1 . 2]" 1
1222 1 76 PHE QE 1 100 ALA MB . . 4.760 4.318 4.263 4.389 . 0 0 "[ . 1 . 2]" 1
1223 1 76 PHE QE 1 101 PHE QD . . 4.410 4.400 4.345 4.435 0.025 16 0 "[ . 1 . 2]" 1
1224 1 76 PHE QE 1 101 PHE QE . . 3.810 3.534 3.509 3.558 . 0 0 "[ . 1 . 2]" 1
1225 1 76 PHE QE 1 101 PHE HZ . . 5.500 5.605 5.584 5.630 0.130 6 0 "[ . 1 . 2]" 1
1226 1 76 PHE HZ 1 88 VAL HB . . 4.040 3.752 3.687 3.856 . 0 0 "[ . 1 . 2]" 1
1227 1 76 PHE HZ 1 88 VAL MG2 . . 4.870 4.414 4.284 4.640 . 0 0 "[ . 1 . 2]" 1
1228 1 76 PHE HZ 1 97 LEU HA . . 4.990 4.821 4.721 4.912 . 0 0 "[ . 1 . 2]" 1
1229 1 76 PHE HZ 1 97 LEU HB3 . . 5.500 5.437 5.337 5.516 0.016 19 0 "[ . 1 . 2]" 1
1230 1 76 PHE HZ 1 97 LEU MD1 . . 4.940 2.385 2.316 2.455 . 0 0 "[ . 1 . 2]" 1
1231 1 76 PHE HZ 1 97 LEU QD . . 3.630 2.323 2.264 2.384 . 0 0 "[ . 1 . 2]" 1
1232 1 76 PHE HZ 1 97 LEU MD2 . . 4.940 3.202 3.110 3.305 . 0 0 "[ . 1 . 2]" 1
1233 1 76 PHE HZ 1 97 LEU HG . . 3.210 2.629 2.531 2.708 . 0 0 "[ . 1 . 2]" 1
1234 1 77 VAL H 1 77 VAL HB . . 3.490 2.590 2.533 2.676 . 0 0 "[ . 1 . 2]" 1
1235 1 77 VAL H 1 77 VAL MG1 . . 3.980 3.871 3.843 3.904 . 0 0 "[ . 1 . 2]" 1
1236 1 77 VAL H 1 77 VAL QG . . 3.250 2.489 2.421 2.581 . 0 0 "[ . 1 . 2]" 1
1237 1 77 VAL H 1 77 VAL MG2 . . 3.980 2.520 2.445 2.622 . 0 0 "[ . 1 . 2]" 1
1238 1 77 VAL H 1 78 PHE H . . 4.640 4.445 4.422 4.473 . 0 0 "[ . 1 . 2]" 1
1239 1 77 VAL HA 1 77 VAL MG1 . . 3.290 2.374 2.320 2.436 . 0 0 "[ . 1 . 2]" 1
1240 1 77 VAL HA 1 77 VAL QG . . 2.730 2.147 2.117 2.182 . 0 0 "[ . 1 . 2]" 1
1241 1 77 VAL HA 1 77 VAL MG2 . . 3.290 2.450 2.425 2.466 . 0 0 "[ . 1 . 2]" 1
1242 1 77 VAL HA 1 78 PHE H . . 3.300 2.130 2.111 2.161 . 0 0 "[ . 1 . 2]" 1
1243 1 77 VAL HA 1 87 ARG H . . 4.800 4.752 4.730 4.774 . 0 0 "[ . 1 . 2]" 1
1244 1 77 VAL HA 1 87 ARG HA . . 3.320 2.275 2.200 2.311 . 0 0 "[ . 1 . 2]" 1
1245 1 77 VAL HA 1 87 ARG HB3 . . 4.780 2.226 2.173 2.276 . 0 0 "[ . 1 . 2]" 1
1246 1 77 VAL HA 1 88 VAL H . . 4.230 3.472 3.393 3.554 . 0 0 "[ . 1 . 2]" 1
1247 1 77 VAL HB 1 78 PHE H . . 4.530 4.221 4.182 4.287 . 0 0 "[ . 1 . 2]" 1
1248 1 77 VAL QG 1 78 PHE H . . 3.270 2.710 2.649 2.764 . 0 0 "[ . 1 . 2]" 1
1249 1 77 VAL QG 1 79 LEU H . . 5.440 4.292 4.037 4.533 . 0 0 "[ . 1 . 2]" 1
1250 1 77 VAL QG 1 85 VAL H . . 4.770 4.039 3.811 4.215 . 0 0 "[ . 1 . 2]" 1
1251 1 77 VAL QG 1 87 ARG H . . 4.610 4.468 4.407 4.520 . 0 0 "[ . 1 . 2]" 1
1252 1 77 VAL QG 1 87 ARG HA . . 4.060 3.338 3.291 3.375 . 0 0 "[ . 1 . 2]" 1
1253 1 77 VAL QG 1 87 ARG HB3 . . 3.550 1.964 1.929 2.022 . 0 0 "[ . 1 . 2]" 1
1254 1 77 VAL QG 1 88 VAL H . . 4.410 4.096 3.971 4.173 . 0 0 "[ . 1 . 2]" 1
1255 1 77 VAL MG1 1 78 PHE H . . 4.160 2.749 2.685 2.809 . 0 0 "[ . 1 . 2]" 1
1256 1 77 VAL MG1 1 87 ARG HB3 . . 4.370 2.117 2.061 2.305 . 0 0 "[ . 1 . 2]" 1
1257 1 77 VAL MG1 1 88 VAL H . . 5.170 5.099 5.048 5.187 0.017 16 0 "[ . 1 . 2]" 1
1258 1 77 VAL MG2 1 78 PHE H . . 4.160 4.106 4.036 4.158 . 0 0 "[ . 1 . 2]" 1
1259 1 77 VAL MG2 1 87 ARG HB3 . . 4.370 2.342 2.217 2.454 . 0 0 "[ . 1 . 2]" 1
1260 1 77 VAL MG2 1 88 VAL H . . 5.170 4.316 4.151 4.405 . 0 0 "[ . 1 . 2]" 1
1261 1 78 PHE H 1 78 PHE HB3 . . 3.690 3.663 3.637 3.688 . 0 0 "[ . 1 . 2]" 1
1262 1 78 PHE H 1 79 LEU H . . 5.450 4.412 4.370 4.485 . 0 0 "[ . 1 . 2]" 1
1263 1 78 PHE H 1 79 LEU QD . . 5.390 3.890 3.668 4.572 . 0 0 "[ . 1 . 2]" 1
1264 1 78 PHE H 1 85 VAL H . . 5.290 4.565 4.485 4.648 . 0 0 "[ . 1 . 2]" 1
1265 1 78 PHE H 1 85 VAL MG2 . . 4.120 4.189 4.173 4.226 0.106 2 0 "[ . 1 . 2]" 1
1266 1 78 PHE H 1 86 ALA H . . 3.770 3.470 3.418 3.525 . 0 0 "[ . 1 . 2]" 1
1267 1 78 PHE H 1 86 ALA HA . . 4.860 4.864 4.850 4.881 0.021 12 0 "[ . 1 . 2]" 1
1268 1 78 PHE H 1 86 ALA MB . . 4.360 3.664 3.633 3.712 . 0 0 "[ . 1 . 2]" 1
1269 1 78 PHE H 1 87 ARG H . . 4.330 4.345 4.319 4.363 0.033 5 0 "[ . 1 . 2]" 1
1270 1 78 PHE H 1 87 ARG HA . . 4.160 2.427 2.385 2.451 . 0 0 "[ . 1 . 2]" 1
1271 1 78 PHE H 1 87 ARG HB3 . . 3.810 3.270 3.194 3.368 . 0 0 "[ . 1 . 2]" 1
1272 1 78 PHE H 1 88 VAL H . . 4.320 4.356 4.336 4.378 0.058 18 0 "[ . 1 . 2]" 1
1273 1 78 PHE H 1 88 VAL MG2 . . 5.500 5.246 5.144 5.319 . 0 0 "[ . 1 . 2]" 1
1274 1 78 PHE H 1 104 LEU MD1 . . 5.500 5.537 5.498 5.565 0.065 3 0 "[ . 1 . 2]" 1
1275 1 78 PHE H 1 104 LEU QD . . 4.680 4.728 4.666 4.807 0.127 4 0 "[ . 1 . 2]" 1
1276 1 78 PHE H 1 104 LEU MD2 . . 5.500 5.133 5.026 5.282 . 0 0 "[ . 1 . 2]" 1
1277 1 78 PHE H 1 104 LEU HG . . 5.500 4.840 4.769 4.933 . 0 0 "[ . 1 . 2]" 1
1278 1 78 PHE HA 1 78 PHE HD1 . . 3.980 3.802 3.773 3.833 . 0 0 "[ . 1 . 2]" 1
1279 1 78 PHE HA 1 78 PHE HD2 . . 4.880 3.423 3.350 3.467 . 0 0 "[ . 1 . 2]" 1
1280 1 78 PHE HA 1 79 LEU H . . 3.450 2.131 2.066 2.158 . 0 0 "[ . 1 . 2]" 1
1281 1 78 PHE HA 1 79 LEU HA . . 4.610 4.457 4.434 4.483 . 0 0 "[ . 1 . 2]" 1
1282 1 78 PHE HA 1 85 VAL MG2 . . 4.260 3.975 3.936 4.045 . 0 0 "[ . 1 . 2]" 1
1283 1 78 PHE HA 1 87 ARG HA . . 5.070 5.083 5.039 5.116 0.046 17 0 "[ . 1 . 2]" 1
1284 1 78 PHE HB3 1 79 LEU H . . 4.800 3.537 3.286 3.641 . 0 0 "[ . 1 . 2]" 1
1285 1 78 PHE HB3 1 85 VAL H . . 5.280 4.459 4.385 4.565 . 0 0 "[ . 1 . 2]" 1
1286 1 78 PHE HB3 1 86 ALA H . . 4.380 4.199 4.126 4.300 . 0 0 "[ . 1 . 2]" 1
1287 1 78 PHE HB3 1 86 ALA MB . . 4.570 3.565 3.502 3.620 . 0 0 "[ . 1 . 2]" 1
1288 1 78 PHE HB3 1 87 ARG HA . . 5.470 5.387 5.337 5.439 . 0 0 "[ . 1 . 2]" 1
1289 1 78 PHE HB3 1 104 LEU QD . . 4.400 3.427 3.368 3.486 . 0 0 "[ . 1 . 2]" 1
1290 1 78 PHE HD1 1 86 ALA MB . . 4.130 3.140 3.082 3.201 . 0 0 "[ . 1 . 2]" 1
1291 1 78 PHE HD1 1 88 VAL HB . . 4.340 4.415 4.400 4.436 0.096 15 0 "[ . 1 . 2]" 1
1292 1 78 PHE HD1 1 88 VAL MG2 . . 3.620 3.398 3.318 3.454 . 0 0 "[ . 1 . 2]" 1
1293 1 78 PHE HD1 1 104 LEU QD . . 3.980 3.819 3.699 3.924 . 0 0 "[ . 1 . 2]" 1
1294 1 78 PHE HD2 1 85 VAL MG2 . . 4.650 4.332 4.246 4.451 . 0 0 "[ . 1 . 2]" 1
1295 1 78 PHE HD2 1 101 PHE HZ . . 5.500 5.674 5.644 5.731 0.231 10 0 "[ . 1 . 2]" 1
1296 1 78 PHE HD2 1 104 LEU HB3 . . 4.150 3.314 3.133 3.488 . 0 0 "[ . 1 . 2]" 1
1297 1 78 PHE HD2 1 104 LEU QD . . 3.880 3.740 3.561 3.922 0.042 4 0 "[ . 1 . 2]" 1
1298 1 78 PHE QE 1 88 VAL MG2 . . 4.780 2.118 2.092 2.137 . 0 0 "[ . 1 . 2]" 1
1299 1 78 PHE QE 1 97 LEU QD . . 4.190 3.478 3.373 3.573 . 0 0 "[ . 1 . 2]" 1
1300 1 78 PHE QE 1 101 PHE HB3 . . 4.550 4.570 4.546 4.589 0.039 5 0 "[ . 1 . 2]" 1
1301 1 78 PHE QE 1 104 LEU HB3 . . 5.500 5.037 4.869 5.200 . 0 0 "[ . 1 . 2]" 1
1302 1 78 PHE HZ 1 88 VAL H . . 5.200 5.253 5.238 5.274 0.074 6 0 "[ . 1 . 2]" 1
1303 1 78 PHE HZ 1 88 VAL HB . . 4.740 3.884 3.776 3.943 . 0 0 "[ . 1 . 2]" 1
1304 1 78 PHE HZ 1 88 VAL MG2 . . 3.910 2.989 2.960 3.017 . 0 0 "[ . 1 . 2]" 1
1305 1 78 PHE HZ 1 100 ALA MB . . 4.600 3.326 3.265 3.434 . 0 0 "[ . 1 . 2]" 1
1306 1 79 LEU H 1 79 LEU HB3 . . 4.070 3.600 3.468 3.745 . 0 0 "[ . 1 . 2]" 1
1307 1 79 LEU H 1 79 LEU MD1 . . 4.450 3.360 2.717 4.327 . 0 0 "[ . 1 . 2]" 1
1308 1 79 LEU H 1 79 LEU QD . . 3.700 2.873 2.439 3.366 . 0 0 "[ . 1 . 2]" 1
1309 1 79 LEU H 1 79 LEU MD2 . . 4.450 3.809 2.455 4.399 . 0 0 "[ . 1 . 2]" 1
1310 1 79 LEU H 1 79 LEU HG . . 4.540 4.070 2.570 4.427 . 0 0 "[ . 1 . 2]" 1
1311 1 79 LEU H 1 80 ARG H . . 4.580 4.461 4.418 4.500 . 0 0 "[ . 1 . 2]" 1
1312 1 79 LEU H 1 85 VAL MG1 . . 5.500 5.489 5.272 5.538 0.038 1 0 "[ . 1 . 2]" 1
1313 1 79 LEU H 1 85 VAL MG2 . . 4.870 3.775 3.529 3.876 . 0 0 "[ . 1 . 2]" 1
1314 1 79 LEU H 1 86 ALA H . . 5.500 5.449 5.351 5.500 0.000 16 0 "[ . 1 . 2]" 1
1315 1 79 LEU HA 1 79 LEU MD1 . . 3.900 2.680 2.368 3.830 . 0 0 "[ . 1 . 2]" 1
1316 1 79 LEU HA 1 79 LEU QD . . 3.120 2.377 2.199 2.591 . 0 0 "[ . 1 . 2]" 1
1317 1 79 LEU HA 1 79 LEU MD2 . . 3.900 3.293 2.213 3.770 . 0 0 "[ . 1 . 2]" 1
1318 1 79 LEU HA 1 79 LEU HG . . 4.140 2.816 2.329 3.858 . 0 0 "[ . 1 . 2]" 1
1319 1 79 LEU HA 1 80 ARG H . . 3.020 2.213 2.159 2.296 . 0 0 "[ . 1 . 2]" 1
1320 1 79 LEU HA 1 83 ARG H . . 4.930 4.543 3.832 4.877 . 0 0 "[ . 1 . 2]" 1
1321 1 79 LEU HA 1 84 GLU H . . 4.670 4.491 4.262 4.611 . 0 0 "[ . 1 . 2]" 1
1322 1 79 LEU HA 1 84 GLU HA . . 3.580 2.338 2.219 2.435 . 0 0 "[ . 1 . 2]" 1
1323 1 79 LEU HA 1 85 VAL H . . 3.950 2.659 2.616 2.748 . 0 0 "[ . 1 . 2]" 1
1324 1 79 LEU HA 1 86 ALA H . . 4.390 4.414 4.356 4.452 0.062 18 0 "[ . 1 . 2]" 1
1325 1 79 LEU HB3 1 79 LEU MD1 . . 3.220 2.896 2.267 3.253 0.033 6 0 "[ . 1 . 2]" 1
1326 1 79 LEU HB3 1 79 LEU QD . . 2.790 2.216 2.105 2.268 . 0 0 "[ . 1 . 2]" 1
1327 1 79 LEU HB3 1 79 LEU MD2 . . 3.220 2.503 2.247 3.225 0.005 18 0 "[ . 1 . 2]" 1
1328 1 79 LEU HB3 1 80 ARG H . . 5.500 2.654 2.352 2.874 . 0 0 "[ . 1 . 2]" 1
1329 1 79 LEU HB3 1 82 GLY H . . 4.990 3.810 3.330 4.169 . 0 0 "[ . 1 . 2]" 1
1330 1 79 LEU HB3 1 84 GLU HA . . 4.430 4.400 4.091 4.491 0.061 9 0 "[ . 1 . 2]" 1
1331 1 79 LEU QD 1 80 ARG H . . 3.640 3.590 3.093 3.810 0.170 10 0 "[ . 1 . 2]" 1
1332 1 79 LEU QD 1 82 GLY H . . 4.120 4.257 3.979 4.461 0.341 14 0 "[ . 1 . 2]" 1
1333 1 79 LEU QD 1 82 GLY QA . . 3.990 3.092 2.539 3.566 . 0 0 "[ . 1 . 2]" 1
1334 1 79 LEU QD 1 83 ARG H . . 3.950 3.967 3.202 4.491 0.541 8 2 "[ . + - . 2]" 1
1335 1 79 LEU QD 1 84 GLU H . . 3.500 3.377 2.562 3.987 0.487 14 0 "[ . 1 . 2]" 1
1336 1 79 LEU QD 1 84 GLU HA . . 3.270 2.247 2.018 2.561 . 0 0 "[ . 1 . 2]" 1
1337 1 79 LEU QD 1 85 VAL H . . 3.890 3.503 3.358 3.655 . 0 0 "[ . 1 . 2]" 1
1338 1 79 LEU QD 1 86 ALA H . . 4.850 4.310 4.105 4.540 . 0 0 "[ . 1 . 2]" 1
1339 1 79 LEU QD 1 87 ARG HB3 . . 5.440 5.051 4.931 5.504 0.064 16 0 "[ . 1 . 2]" 1
1340 1 79 LEU MD1 1 80 ARG H . . 4.210 4.055 3.172 4.343 0.133 14 0 "[ . 1 . 2]" 1
1341 1 79 LEU MD1 1 84 GLU H . . 4.480 3.862 2.759 4.584 0.104 16 0 "[ . 1 . 2]" 1
1342 1 79 LEU MD2 1 80 ARG H . . 4.210 4.138 3.451 4.366 0.156 11 0 "[ . 1 . 2]" 1
1343 1 79 LEU MD2 1 84 GLU H . . 4.480 4.191 2.575 4.542 0.062 19 0 "[ . 1 . 2]" 1
1344 1 79 LEU HG 1 80 ARG H . . 4.700 3.881 3.256 4.857 0.157 12 0 "[ . 1 . 2]" 1
1345 1 79 LEU HG 1 83 ARG H . . 5.500 4.785 4.046 5.686 0.186 16 0 "[ . 1 . 2]" 1
1346 1 79 LEU HG 1 84 GLU HA . . 4.940 3.358 2.497 4.963 0.023 11 0 "[ . 1 . 2]" 1
1347 1 80 ARG H 1 80 ARG HB3 . . 3.800 3.242 3.039 3.401 . 0 0 "[ . 1 . 2]" 1
1348 1 80 ARG H 1 80 ARG HG3 . . 4.860 4.816 4.779 4.907 0.047 2 0 "[ . 1 . 2]" 1
1349 1 80 ARG H 1 81 ASP H . . 4.820 4.151 4.072 4.211 . 0 0 "[ . 1 . 2]" 1
1350 1 80 ARG H 1 82 GLY H . . 4.750 3.655 3.456 3.892 . 0 0 "[ . 1 . 2]" 1
1351 1 80 ARG H 1 83 ARG H . . 3.230 2.944 2.314 3.224 . 0 0 "[ . 1 . 2]" 1
1352 1 80 ARG H 1 84 GLU HA . . 3.960 3.883 3.808 4.012 0.052 16 0 "[ . 1 . 2]" 1
1353 1 80 ARG H 1 85 VAL H . . 4.000 3.913 3.844 4.003 0.003 2 0 "[ . 1 . 2]" 1
1354 1 80 ARG H 1 85 VAL MG1 . . 3.670 3.021 2.916 3.125 . 0 0 "[ . 1 . 2]" 1
1355 1 80 ARG H 1 85 VAL MG2 . . 3.470 3.358 3.263 3.447 . 0 0 "[ . 1 . 2]" 1
1356 1 80 ARG HA 1 81 ASP H . . 3.430 2.212 2.142 2.296 . 0 0 "[ . 1 . 2]" 1
1357 1 80 ARG HB3 1 81 ASP H . . 4.690 3.920 3.807 4.154 . 0 0 "[ . 1 . 2]" 1
1358 1 80 ARG HB3 1 85 VAL MG2 . . 3.910 3.172 2.929 3.452 . 0 0 "[ . 1 . 2]" 1
1359 1 81 ASP H 1 82 GLY H . . 3.890 2.692 2.574 2.792 . 0 0 "[ . 1 . 2]" 1
1360 1 81 ASP HB3 1 83 ARG H . . 3.690 3.480 3.221 3.639 . 0 0 "[ . 1 . 2]" 1
1361 1 82 GLY H 1 83 ARG H . . 3.320 2.779 2.612 2.902 . 0 0 "[ . 1 . 2]" 1
1362 1 83 ARG H 1 83 ARG HG3 . . 4.780 4.123 2.905 4.699 . 0 0 "[ . 1 . 2]" 1
1363 1 83 ARG H 1 84 GLU H . . 4.330 4.453 4.358 4.502 0.172 8 0 "[ . 1 . 2]" 1
1364 1 83 ARG H 1 85 VAL MG1 . . 4.900 4.502 4.334 4.663 . 0 0 "[ . 1 . 2]" 1
1365 1 83 ARG HA 1 84 GLU H . . 2.830 2.230 2.136 2.321 . 0 0 "[ . 1 . 2]" 1
1366 1 83 ARG HB3 1 84 GLU H . . 4.420 3.392 2.530 4.121 . 0 0 "[ . 1 . 2]" 1
1367 1 83 ARG HG3 1 84 GLU H . . 4.500 3.632 2.797 4.637 0.137 13 0 "[ . 1 . 2]" 1
1368 1 84 GLU H 1 84 GLU HB3 . . 3.010 2.384 2.312 2.491 . 0 0 "[ . 1 . 2]" 1
1369 1 84 GLU H 1 85 VAL H . . 4.660 4.525 4.453 4.586 . 0 0 "[ . 1 . 2]" 1
1370 1 84 GLU H 1 85 VAL MG1 . . 5.230 5.086 4.957 5.237 0.007 1 0 "[ . 1 . 2]" 1
1371 1 84 GLU HA 1 85 VAL H . . 3.250 2.107 2.042 2.141 . 0 0 "[ . 1 . 2]" 1
1372 1 84 GLU HA 1 85 VAL MG1 . . 4.500 4.077 4.022 4.148 . 0 0 "[ . 1 . 2]" 1
1373 1 84 GLU HA 1 85 VAL MG2 . . 3.690 3.689 3.618 3.730 0.040 20 0 "[ . 1 . 2]" 1
1374 1 84 GLU HA 1 86 ALA H . . 4.100 3.503 3.321 3.604 . 0 0 "[ . 1 . 2]" 1
1375 1 84 GLU HB3 1 85 VAL H . . 4.520 4.376 4.329 4.408 . 0 0 "[ . 1 . 2]" 1
1376 1 85 VAL H 1 85 VAL HB . . 3.890 3.725 3.703 3.754 . 0 0 "[ . 1 . 2]" 1
1377 1 85 VAL H 1 85 VAL MG1 . . 3.200 2.893 2.809 2.948 . 0 0 "[ . 1 . 2]" 1
1378 1 85 VAL H 1 85 VAL MG2 . . 3.550 2.110 2.049 2.158 . 0 0 "[ . 1 . 2]" 1
1379 1 85 VAL H 1 86 ALA H . . 2.980 2.107 2.030 2.166 . 0 0 "[ . 1 . 2]" 1
1380 1 85 VAL H 1 86 ALA MB . . 4.800 4.315 4.234 4.381 . 0 0 "[ . 1 . 2]" 1
1381 1 85 VAL H 1 104 LEU QD . . 4.890 4.361 4.278 4.436 . 0 0 "[ . 1 . 2]" 1
1382 1 85 VAL HA 1 85 VAL MG1 . . 3.390 2.241 2.219 2.273 . 0 0 "[ . 1 . 2]" 1
1383 1 85 VAL HA 1 85 VAL MG2 . . 3.280 3.274 3.268 3.282 0.002 13 0 "[ . 1 . 2]" 1
1384 1 85 VAL HA 1 86 ALA H . . 3.530 3.479 3.453 3.495 . 0 0 "[ . 1 . 2]" 1
1385 1 85 VAL HA 1 86 ALA MB . . 4.390 4.420 4.402 4.430 0.040 12 0 "[ . 1 . 2]" 1
1386 1 85 VAL HB 1 86 ALA H . . 3.960 3.946 3.908 3.970 0.010 10 0 "[ . 1 . 2]" 1
1387 1 85 VAL HB 1 86 ALA MB . . 4.890 3.765 3.716 3.828 . 0 0 "[ . 1 . 2]" 1
1388 1 85 VAL HB 1 104 LEU HB3 . . 5.300 4.702 4.558 4.896 . 0 0 "[ . 1 . 2]" 1
1389 1 85 VAL HB 1 104 LEU QD . . 3.530 2.256 2.168 2.430 . 0 0 "[ . 1 . 2]" 1
1390 1 85 VAL HB 1 104 LEU HG . . 5.500 4.131 4.045 4.264 . 0 0 "[ . 1 . 2]" 1
1391 1 85 VAL MG1 1 86 ALA H . . 4.160 4.204 4.184 4.215 0.055 9 0 "[ . 1 . 2]" 1
1392 1 85 VAL MG2 1 86 ALA H . . 3.750 2.543 2.507 2.587 . 0 0 "[ . 1 . 2]" 1
1393 1 85 VAL MG2 1 104 LEU HA . . 3.740 3.703 3.584 3.822 0.082 20 0 "[ . 1 . 2]" 1
1394 1 85 VAL MG2 1 104 LEU HB3 . . 3.730 2.807 2.690 2.924 . 0 0 "[ . 1 . 2]" 1
1395 1 85 VAL MG2 1 104 LEU QD . . 2.920 2.095 2.049 2.134 . 0 0 "[ . 1 . 2]" 1
1396 1 85 VAL MG2 1 104 LEU HG . . 3.880 2.427 2.348 2.554 . 0 0 "[ . 1 . 2]" 1
1397 1 86 ALA H 1 86 ALA MB . . 3.150 2.822 2.804 2.839 . 0 0 "[ . 1 . 2]" 1
1398 1 86 ALA H 1 87 ARG H . . 4.390 4.351 4.325 4.371 . 0 0 "[ . 1 . 2]" 1
1399 1 86 ALA H 1 87 ARG HA . . 4.770 4.716 4.683 4.742 . 0 0 "[ . 1 . 2]" 1
1400 1 86 ALA H 1 104 LEU QD . . 3.420 3.692 3.613 3.781 0.361 1 0 "[ . 1 . 2]" 1
1401 1 86 ALA HA 1 87 ARG H . . 2.720 2.515 2.453 2.566 . 0 0 "[ . 1 . 2]" 1
1402 1 86 ALA HA 1 87 ARG HA . . 4.770 4.603 4.565 4.633 . 0 0 "[ . 1 . 2]" 1
1403 1 86 ALA MB 1 87 ARG H . . 2.820 2.186 2.130 2.254 . 0 0 "[ . 1 . 2]" 1
1404 1 86 ALA MB 1 87 ARG HA . . 4.000 3.558 3.522 3.589 . 0 0 "[ . 1 . 2]" 1
1405 1 86 ALA MB 1 87 ARG HB3 . . 4.750 4.650 4.623 4.729 . 0 0 "[ . 1 . 2]" 1
1406 1 86 ALA MB 1 88 VAL H . . 5.290 4.960 4.892 5.025 . 0 0 "[ . 1 . 2]" 1
1407 1 86 ALA MB 1 100 ALA MB . . 4.150 3.796 3.689 3.936 . 0 0 "[ . 1 . 2]" 1
1408 1 86 ALA MB 1 104 LEU HA . . 4.740 4.801 4.768 4.821 0.081 17 0 "[ . 1 . 2]" 1
1409 1 86 ALA MB 1 104 LEU HB3 . . 4.910 4.262 4.222 4.375 . 0 0 "[ . 1 . 2]" 1
1410 1 86 ALA MB 1 104 LEU MD1 . . 3.000 2.024 1.996 2.075 . 0 0 "[ . 1 . 2]" 1
1411 1 86 ALA MB 1 104 LEU QD . . 2.470 1.786 1.770 1.811 . 0 0 "[ . 1 . 2]" 1
1412 1 86 ALA MB 1 104 LEU MD2 . . 3.000 1.986 1.971 2.007 . 0 0 "[ . 1 . 2]" 1
1413 1 86 ALA MB 1 104 LEU HG . . 3.120 2.264 2.218 2.395 . 0 0 "[ . 1 . 2]" 1
1414 1 87 ARG H 1 87 ARG HB3 . . 3.640 3.496 3.447 3.578 . 0 0 "[ . 1 . 2]" 1
1415 1 87 ARG H 1 87 ARG HG3 . . 3.660 3.448 3.170 3.527 . 0 0 "[ . 1 . 2]" 1
1416 1 87 ARG H 1 88 VAL H . . 4.390 4.299 4.279 4.328 . 0 0 "[ . 1 . 2]" 1
1417 1 87 ARG H 1 100 ALA MB . . 5.190 5.218 5.192 5.233 0.043 7 0 "[ . 1 . 2]" 1
1418 1 87 ARG HA 1 87 ARG HG3 . . 4.040 3.749 3.725 3.771 . 0 0 "[ . 1 . 2]" 1
1419 1 87 ARG HA 1 88 VAL H . . 3.140 2.273 2.257 2.296 . 0 0 "[ . 1 . 2]" 1
1420 1 87 ARG HB3 1 88 VAL H . . 4.170 3.855 3.792 3.902 . 0 0 "[ . 1 . 2]" 1
1421 1 88 VAL H 1 88 VAL HB . . 3.510 2.559 2.512 2.606 . 0 0 "[ . 1 . 2]" 1
1422 1 88 VAL H 1 88 VAL MG1 . . 3.910 3.881 3.863 3.912 0.002 11 0 "[ . 1 . 2]" 1
1423 1 88 VAL H 1 88 VAL MG2 . . 3.570 3.034 2.997 3.085 . 0 0 "[ . 1 . 2]" 1
1424 1 88 VAL H 1 89 VAL H . . 4.530 4.350 4.243 4.449 . 0 0 "[ . 1 . 2]" 1
1425 1 88 VAL H 1 89 VAL HA . . 5.500 4.973 4.924 5.040 . 0 0 "[ . 1 . 2]" 1
1426 1 88 VAL H 1 89 VAL QG . . 4.540 4.378 4.045 4.773 0.233 19 0 "[ . 1 . 2]" 1
1427 1 88 VAL H 1 97 LEU QD . . 5.440 5.343 5.270 5.456 0.016 7 0 "[ . 1 . 2]" 1
1428 1 88 VAL H 1 100 ALA MB . . 5.110 5.143 5.090 5.186 0.076 18 0 "[ . 1 . 2]" 1
1429 1 88 VAL HA 1 88 VAL MG1 . . 3.390 2.520 2.500 2.544 . 0 0 "[ . 1 . 2]" 1
1430 1 88 VAL HA 1 88 VAL MG2 . . 3.170 2.476 2.436 2.523 . 0 0 "[ . 1 . 2]" 1
1431 1 88 VAL HA 1 89 VAL H . . 2.770 2.136 2.084 2.218 . 0 0 "[ . 1 . 2]" 1
1432 1 88 VAL HA 1 89 VAL QG . . 4.060 3.544 3.265 3.758 . 0 0 "[ . 1 . 2]" 1
1433 1 88 VAL HB 1 97 LEU QD . . 3.950 3.490 3.383 3.673 . 0 0 "[ . 1 . 2]" 1
1434 1 88 VAL HB 1 100 ALA MB . . 4.470 4.118 4.019 4.204 . 0 0 "[ . 1 . 2]" 1
1435 1 88 VAL MG1 1 89 VAL H . . 3.020 2.692 2.376 2.970 . 0 0 "[ . 1 . 2]" 1
1436 1 88 VAL MG1 1 90 ARG H . . 4.830 4.228 4.011 4.556 . 0 0 "[ . 1 . 2]" 1
1437 1 88 VAL MG1 1 97 LEU H . . 4.890 4.789 4.610 4.896 0.006 3 0 "[ . 1 . 2]" 1
1438 1 88 VAL MG1 1 97 LEU HA . . 3.850 3.041 2.839 3.188 . 0 0 "[ . 1 . 2]" 1
1439 1 88 VAL MG1 1 97 LEU QD . . 3.280 2.760 2.641 2.936 . 0 0 "[ . 1 . 2]" 1
1440 1 88 VAL MG1 1 100 ALA MB . . 3.850 3.549 3.327 3.696 . 0 0 "[ . 1 . 2]" 1
1441 1 88 VAL MG2 1 89 VAL H . . 4.850 3.989 3.907 4.092 . 0 0 "[ . 1 . 2]" 1
1442 1 88 VAL MG2 1 97 LEU HA . . 3.610 3.195 2.902 3.381 . 0 0 "[ . 1 . 2]" 1
1443 1 88 VAL MG2 1 97 LEU QD . . 3.170 2.635 2.430 2.968 . 0 0 "[ . 1 . 2]" 1
1444 1 88 VAL MG2 1 100 ALA H . . 4.290 4.076 4.003 4.120 . 0 0 "[ . 1 . 2]" 1
1445 1 88 VAL MG2 1 100 ALA HA . . 4.330 4.221 4.155 4.307 . 0 0 "[ . 1 . 2]" 1
1446 1 88 VAL MG2 1 100 ALA MB . . 3.240 1.987 1.931 2.039 . 0 0 "[ . 1 . 2]" 1
1447 1 88 VAL MG2 1 101 PHE H . . 4.890 4.496 4.376 4.616 . 0 0 "[ . 1 . 2]" 1
1448 1 88 VAL MG2 1 101 PHE QD . . 3.880 3.968 3.939 3.992 0.112 9 0 "[ . 1 . 2]" 1
1449 1 88 VAL MG2 1 101 PHE QE . . 4.740 4.493 4.458 4.553 . 0 0 "[ . 1 . 2]" 1
1450 1 89 VAL H 1 89 VAL HB . . 3.680 2.873 2.526 3.481 . 0 0 "[ . 1 . 2]" 1
1451 1 89 VAL H 1 89 VAL MG1 . . 3.890 3.341 2.314 3.895 0.005 1 0 "[ . 1 . 2]" 1
1452 1 89 VAL H 1 89 VAL QG . . 3.030 2.556 2.298 2.768 . 0 0 "[ . 1 . 2]" 1
1453 1 89 VAL H 1 89 VAL MG2 . . 3.890 3.140 2.615 3.918 0.028 18 0 "[ . 1 . 2]" 1
1454 1 89 VAL H 1 90 ARG H . . 4.690 4.373 4.279 4.500 . 0 0 "[ . 1 . 2]" 1
1455 1 89 VAL HA 1 89 VAL MG1 . . 3.710 2.748 2.435 3.280 . 0 0 "[ . 1 . 2]" 1
1456 1 89 VAL HA 1 89 VAL MG2 . . 3.710 2.497 2.441 2.557 . 0 0 "[ . 1 . 2]" 1
1457 1 89 VAL HA 1 90 ARG H . . 3.510 2.182 2.132 2.246 . 0 0 "[ . 1 . 2]" 1
1458 1 89 VAL HB 1 90 ARG H . . 4.830 4.135 3.923 4.265 . 0 0 "[ . 1 . 2]" 1
1459 1 89 VAL QG 1 90 ARG H . . 3.510 2.628 2.264 2.856 . 0 0 "[ . 1 . 2]" 1
1460 1 89 VAL QG 1 90 ARG HA . . 4.580 3.890 3.681 4.090 . 0 0 "[ . 1 . 2]" 1
1461 1 89 VAL MG1 1 90 ARG H . . 4.430 3.257 2.572 4.173 . 0 0 "[ . 1 . 2]" 1
1462 1 89 VAL MG2 1 90 ARG H . . 4.430 3.548 2.277 4.247 . 0 0 "[ . 1 . 2]" 1
1463 1 90 ARG H 1 90 ARG HG3 . . 4.900 4.323 3.944 4.777 . 0 0 "[ . 1 . 2]" 1
1464 1 90 ARG HA 1 90 ARG HE . . 4.970 4.800 4.485 5.029 0.059 4 0 "[ . 1 . 2]" 1
1465 1 90 ARG HA 1 90 ARG HG3 . . 3.890 2.519 2.291 3.160 . 0 0 "[ . 1 . 2]" 1
1466 1 91 PRO HA 1 93 SER H . . 4.320 3.955 3.789 4.218 . 0 0 "[ . 1 . 2]" 1
1467 1 91 PRO HA 1 97 LEU MD1 . . 5.500 4.261 4.093 4.325 . 0 0 "[ . 1 . 2]" 1
1468 1 91 PRO HA 1 97 LEU QD . . 4.440 4.088 3.967 4.141 . 0 0 "[ . 1 . 2]" 1
1469 1 91 PRO HA 1 97 LEU MD2 . . 5.500 5.265 5.181 5.365 . 0 0 "[ . 1 . 2]" 1
1470 1 91 PRO HA 1 97 LEU HG . . 3.780 3.896 3.830 3.938 0.158 12 0 "[ . 1 . 2]" 1
1471 1 92 GLY H 1 93 SER H . . 3.880 2.760 2.413 3.666 . 0 0 "[ . 1 . 2]" 1
1472 1 92 GLY H 1 96 VAL QG . . 4.890 3.317 2.520 5.248 0.358 18 0 "[ . 1 . 2]" 1
1473 1 92 GLY QA 1 93 SER H . . 3.120 2.752 2.596 2.864 . 0 0 "[ . 1 . 2]" 1
1474 1 93 SER H 1 93 SER HB3 . . 3.850 3.408 3.164 3.902 0.052 14 0 "[ . 1 . 2]" 1
1475 1 93 SER H 1 94 ALA H . . 4.400 4.340 4.292 4.406 0.006 6 0 "[ . 1 . 2]" 1
1476 1 93 SER H 1 96 VAL H . . 3.820 3.602 3.401 3.889 0.069 18 0 "[ . 1 . 2]" 1
1477 1 93 SER H 1 96 VAL HB . . 3.630 2.730 2.442 3.179 . 0 0 "[ . 1 . 2]" 1
1478 1 93 SER H 1 96 VAL MG1 . . 4.420 4.017 3.565 4.360 . 0 0 "[ . 1 . 2]" 1
1479 1 93 SER H 1 96 VAL QG . . 3.830 3.049 2.830 3.345 . 0 0 "[ . 1 . 2]" 1
1480 1 93 SER H 1 96 VAL MG2 . . 4.420 3.175 2.906 3.565 . 0 0 "[ . 1 . 2]" 1
1481 1 93 SER H 1 97 LEU H . . 4.730 3.998 3.677 4.487 . 0 0 "[ . 1 . 2]" 1
1482 1 93 SER HA 1 94 ALA HA . . 4.510 4.409 4.315 4.510 . 0 0 "[ . 1 . 2]" 1
1483 1 93 SER HA 1 96 VAL H . . 5.090 4.757 4.580 4.945 . 0 0 "[ . 1 . 2]" 1
1484 1 93 SER HA 1 96 VAL QG . . 5.440 4.756 4.496 5.013 . 0 0 "[ . 1 . 2]" 1
1485 1 94 ALA H 1 94 ALA MB . . 3.370 2.181 2.141 2.232 . 0 0 "[ . 1 . 2]" 1
1486 1 94 ALA H 1 95 SER H . . 5.440 2.861 2.768 2.990 . 0 0 "[ . 1 . 2]" 1
1487 1 94 ALA HA 1 97 LEU H . . 3.640 3.129 2.999 3.250 . 0 0 "[ . 1 . 2]" 1
1488 1 94 ALA HA 1 97 LEU HB3 . . 4.240 3.120 2.873 3.192 . 0 0 "[ . 1 . 2]" 1
1489 1 94 ALA HA 1 97 LEU MD1 . . 4.970 3.914 3.863 3.967 . 0 0 "[ . 1 . 2]" 1
1490 1 94 ALA HA 1 97 LEU QD . . 3.760 3.778 3.714 3.824 0.064 20 0 "[ . 1 . 2]" 1
1491 1 94 ALA HA 1 97 LEU MD2 . . 4.970 4.979 4.766 5.030 0.060 4 0 "[ . 1 . 2]" 1
1492 1 94 ALA HA 1 98 GLU H . . 3.830 3.272 3.081 3.407 . 0 0 "[ . 1 . 2]" 1
1493 1 94 ALA MB 1 95 SER H . . 3.860 2.767 2.640 2.890 . 0 0 "[ . 1 . 2]" 1
1494 1 94 ALA MB 1 96 VAL H . . 5.090 4.548 4.444 4.720 . 0 0 "[ . 1 . 2]" 1
1495 1 94 ALA MB 1 97 LEU HB3 . . 4.510 4.319 4.184 4.409 . 0 0 "[ . 1 . 2]" 1
1496 1 94 ALA MB 1 98 GLU H . . 4.160 3.927 3.762 4.062 . 0 0 "[ . 1 . 2]" 1
1497 1 95 SER H 1 96 VAL H . . 4.070 2.847 2.753 2.972 . 0 0 "[ . 1 . 2]" 1
1498 1 95 SER H 1 96 VAL HB . . 5.500 5.146 4.881 5.285 . 0 0 "[ . 1 . 2]" 1
1499 1 95 SER H 1 97 LEU H . . 4.730 4.326 4.224 4.410 . 0 0 "[ . 1 . 2]" 1
1500 1 95 SER HA 1 98 GLU H . . 4.120 4.115 3.912 4.164 0.044 6 0 "[ . 1 . 2]" 1
1501 1 95 SER HA 1 99 GLU H . . 4.410 3.984 3.829 4.150 . 0 0 "[ . 1 . 2]" 1
1502 1 96 VAL H 1 96 VAL HB . . 2.790 2.495 2.345 2.570 . 0 0 "[ . 1 . 2]" 1
1503 1 96 VAL H 1 96 VAL MG1 . . 3.790 3.822 3.780 3.841 0.051 9 0 "[ . 1 . 2]" 1
1504 1 96 VAL H 1 96 VAL QG . . 3.170 2.369 2.175 2.632 . 0 0 "[ . 1 . 2]" 1
1505 1 96 VAL H 1 96 VAL MG2 . . 3.790 2.393 2.187 2.683 . 0 0 "[ . 1 . 2]" 1
1506 1 96 VAL H 1 97 LEU H . . 2.790 2.371 2.247 2.661 . 0 0 "[ . 1 . 2]" 1
1507 1 96 VAL H 1 98 GLU H . . 4.360 4.138 3.983 4.376 0.016 15 0 "[ . 1 . 2]" 1
1508 1 96 VAL H 1 99 GLU H . . 4.750 4.620 4.511 4.723 . 0 0 "[ . 1 . 2]" 1
1509 1 96 VAL HA 1 96 VAL MG1 . . 3.000 2.443 2.379 2.612 . 0 0 "[ . 1 . 2]" 1
1510 1 96 VAL HA 1 96 VAL QG . . 2.310 2.174 2.161 2.181 . 0 0 "[ . 1 . 2]" 1
1511 1 96 VAL HA 1 96 VAL MG2 . . 3.000 2.444 2.304 2.496 . 0 0 "[ . 1 . 2]" 1
1512 1 96 VAL HA 1 98 GLU H . . 5.020 4.936 4.808 5.004 . 0 0 "[ . 1 . 2]" 1
1513 1 96 VAL HA 1 99 GLU H . . 3.850 3.733 3.577 3.892 0.042 1 0 "[ . 1 . 2]" 1
1514 1 96 VAL HA 1 100 ALA H . . 4.490 4.561 4.527 4.591 0.101 16 0 "[ . 1 . 2]" 1
1515 1 96 VAL HB 1 97 LEU H . . 4.310 2.678 2.592 2.774 . 0 0 "[ . 1 . 2]" 1
1516 1 96 VAL HB 1 97 LEU QD . . 4.930 4.875 4.741 5.088 0.158 15 0 "[ . 1 . 2]" 1
1517 1 96 VAL QG 1 97 LEU H . . 3.300 3.283 3.135 3.337 0.037 19 0 "[ . 1 . 2]" 1
1518 1 96 VAL QG 1 99 GLU H . . 4.990 4.636 4.549 4.739 . 0 0 "[ . 1 . 2]" 1
1519 1 96 VAL QG 1 100 ALA H . . 4.170 4.513 4.450 4.559 0.389 7 0 "[ . 1 . 2]" 1
1520 1 96 VAL MG1 1 97 LEU H . . 4.110 3.539 3.253 3.623 . 0 0 "[ . 1 . 2]" 1
1521 1 96 VAL MG2 1 97 LEU H . . 4.110 3.902 3.799 4.101 . 0 0 "[ . 1 . 2]" 1
1522 1 97 LEU H 1 97 LEU HB3 . . 3.350 3.096 2.984 3.137 . 0 0 "[ . 1 . 2]" 1
1523 1 97 LEU H 1 97 LEU MD1 . . 4.370 4.108 4.087 4.132 . 0 0 "[ . 1 . 2]" 1
1524 1 97 LEU H 1 97 LEU QD . . 3.570 3.706 3.690 3.720 0.150 7 0 "[ . 1 . 2]" 1
1525 1 97 LEU H 1 97 LEU MD2 . . 4.370 4.217 4.189 4.249 . 0 0 "[ . 1 . 2]" 1
1526 1 97 LEU H 1 97 LEU HG . . 4.750 3.821 3.774 3.909 . 0 0 "[ . 1 . 2]" 1
1527 1 97 LEU H 1 98 GLU H . . 3.040 2.753 2.684 2.819 . 0 0 "[ . 1 . 2]" 1
1528 1 97 LEU H 1 99 GLU H . . 4.340 4.096 4.029 4.165 . 0 0 "[ . 1 . 2]" 1
1529 1 97 LEU H 1 99 GLU HB3 . . 5.160 4.905 4.845 4.999 . 0 0 "[ . 1 . 2]" 1
1530 1 97 LEU H 1 100 ALA MB . . 5.240 5.223 5.135 5.254 0.014 8 0 "[ . 1 . 2]" 1
1531 1 97 LEU HA 1 97 LEU MD1 . . 3.820 3.734 3.718 3.761 . 0 0 "[ . 1 . 2]" 1
1532 1 97 LEU HA 1 97 LEU QD . . 2.840 2.151 2.123 2.221 . 0 0 "[ . 1 . 2]" 1
1533 1 97 LEU HA 1 97 LEU MD2 . . 3.820 2.165 2.135 2.237 . 0 0 "[ . 1 . 2]" 1
1534 1 97 LEU HA 1 97 LEU HG . . 2.530 2.402 2.370 2.431 . 0 0 "[ . 1 . 2]" 1
1535 1 97 LEU HA 1 99 GLU H . . 4.860 4.451 4.350 4.513 . 0 0 "[ . 1 . 2]" 1
1536 1 97 LEU HA 1 100 ALA H . . 3.890 3.549 3.525 3.586 . 0 0 "[ . 1 . 2]" 1
1537 1 97 LEU HA 1 100 ALA MB . . 3.310 3.075 2.986 3.102 . 0 0 "[ . 1 . 2]" 1
1538 1 97 LEU HA 1 101 PHE H . . 4.300 4.308 4.241 4.368 0.068 4 0 "[ . 1 . 2]" 1
1539 1 97 LEU HA 1 101 PHE QD . . 3.900 3.903 3.869 3.940 0.040 10 0 "[ . 1 . 2]" 1
1540 1 97 LEU HA 1 101 PHE QE . . 4.930 4.970 4.947 4.991 0.061 9 0 "[ . 1 . 2]" 1
1541 1 97 LEU HB3 1 97 LEU MD1 . . 3.520 2.480 2.445 2.523 . 0 0 "[ . 1 . 2]" 1
1542 1 97 LEU HB3 1 97 LEU MD2 . . 3.520 2.308 2.285 2.329 . 0 0 "[ . 1 . 2]" 1
1543 1 97 LEU HB3 1 98 GLU H . . 4.270 2.653 2.618 2.695 . 0 0 "[ . 1 . 2]" 1
1544 1 97 LEU HB3 1 98 GLU HA . . 4.050 4.109 4.080 4.131 0.081 12 0 "[ . 1 . 2]" 1
1545 1 97 LEU HB3 1 100 ALA MB . . 5.420 5.191 5.151 5.226 . 0 0 "[ . 1 . 2]" 1
1546 1 97 LEU QD 1 98 GLU H . . 4.450 3.774 3.743 3.812 . 0 0 "[ . 1 . 2]" 1
1547 1 97 LEU QD 1 98 GLU HG3 . . 5.250 4.603 4.534 4.634 . 0 0 "[ . 1 . 2]" 1
1548 1 97 LEU QD 1 100 ALA H . . 5.160 4.284 4.253 4.329 . 0 0 "[ . 1 . 2]" 1
1549 1 97 LEU QD 1 100 ALA MB . . 3.920 3.048 3.002 3.134 . 0 0 "[ . 1 . 2]" 1
1550 1 97 LEU QD 1 101 PHE H . . 4.320 3.799 3.720 3.940 . 0 0 "[ . 1 . 2]" 1
1551 1 97 LEU QD 1 101 PHE HA . . 5.440 4.749 4.669 4.794 . 0 0 "[ . 1 . 2]" 1
1552 1 97 LEU QD 1 101 PHE HB3 . . 5.430 5.024 4.992 5.041 . 0 0 "[ . 1 . 2]" 1
1553 1 97 LEU QD 1 101 PHE QD . . 3.790 2.170 2.114 2.209 . 0 0 "[ . 1 . 2]" 1
1554 1 97 LEU QD 1 101 PHE QE . . 3.670 1.997 1.948 2.016 . 0 0 "[ . 1 . 2]" 1
1555 1 97 LEU QD 1 101 PHE HZ . . 4.950 3.708 3.562 3.769 . 0 0 "[ . 1 . 2]" 1
1556 1 97 LEU HG 1 98 GLU H . . 5.070 5.052 5.026 5.109 0.039 7 0 "[ . 1 . 2]" 1
1557 1 97 LEU HG 1 101 PHE QE . . 5.090 4.684 4.549 4.741 . 0 0 "[ . 1 . 2]" 1
1558 1 98 GLU H 1 98 GLU HG3 . . 3.490 2.356 2.261 2.498 . 0 0 "[ . 1 . 2]" 1
1559 1 98 GLU H 1 99 GLU H . . 3.380 2.872 2.733 2.944 . 0 0 "[ . 1 . 2]" 1
1560 1 98 GLU H 1 99 GLU HB3 . . 4.970 4.853 4.722 4.925 . 0 0 "[ . 1 . 2]" 1
1561 1 98 GLU H 1 100 ALA H . . 4.500 4.352 4.307 4.434 . 0 0 "[ . 1 . 2]" 1
1562 1 98 GLU HA 1 98 GLU HG3 . . 3.430 3.113 3.050 3.215 . 0 0 "[ . 1 . 2]" 1
1563 1 98 GLU HA 1 100 ALA H . . 4.570 4.271 4.181 4.382 . 0 0 "[ . 1 . 2]" 1
1564 1 98 GLU HA 1 101 PHE H . . 3.640 3.195 3.105 3.247 . 0 0 "[ . 1 . 2]" 1
1565 1 98 GLU HA 1 101 PHE HA . . 5.410 5.103 4.996 5.182 . 0 0 "[ . 1 . 2]" 1
1566 1 98 GLU HA 1 101 PHE HB3 . . 4.670 3.679 3.581 3.803 . 0 0 "[ . 1 . 2]" 1
1567 1 98 GLU HA 1 101 PHE QD . . 4.090 3.873 3.727 3.964 . 0 0 "[ . 1 . 2]" 1
1568 1 98 GLU HA 1 102 GLU H . . 4.730 3.744 3.674 3.858 . 0 0 "[ . 1 . 2]" 1
1569 1 98 GLU HG3 1 99 GLU H . . 5.000 4.550 4.485 4.623 . 0 0 "[ . 1 . 2]" 1
1570 1 99 GLU H 1 99 GLU HB3 . . 2.910 2.353 2.324 2.380 . 0 0 "[ . 1 . 2]" 1
1571 1 99 GLU H 1 99 GLU HG3 . . 4.960 4.491 4.470 4.509 . 0 0 "[ . 1 . 2]" 1
1572 1 99 GLU H 1 100 ALA H . . 3.140 2.821 2.765 2.885 . 0 0 "[ . 1 . 2]" 1
1573 1 99 GLU H 1 100 ALA HA . . 5.500 5.466 5.427 5.513 0.013 4 0 "[ . 1 . 2]" 1
1574 1 99 GLU H 1 100 ALA MB . . 4.600 4.513 4.453 4.573 . 0 0 "[ . 1 . 2]" 1
1575 1 99 GLU H 1 101 PHE H . . 4.300 4.208 4.122 4.322 0.022 12 0 "[ . 1 . 2]" 1
1576 1 99 GLU H 1 102 GLU H . . 5.060 4.989 4.926 5.069 0.009 1 0 "[ . 1 . 2]" 1
1577 1 99 GLU H 1 102 GLU HG3 . . 5.350 4.888 4.746 5.078 . 0 0 "[ . 1 . 2]" 1
1578 1 99 GLU HA 1 99 GLU HG3 . . 3.290 2.638 2.610 2.679 . 0 0 "[ . 1 . 2]" 1
1579 1 99 GLU HA 1 100 ALA MB . . 5.260 5.016 5.000 5.029 . 0 0 "[ . 1 . 2]" 1
1580 1 99 GLU HA 1 102 GLU HG3 . . 3.430 2.684 2.634 2.773 . 0 0 "[ . 1 . 2]" 1
1581 1 99 GLU HB3 1 100 ALA H . . 3.090 2.795 2.750 2.840 . 0 0 "[ . 1 . 2]" 1
1582 1 99 GLU HB3 1 100 ALA HA . . 4.660 4.719 4.699 4.743 0.083 7 0 "[ . 1 . 2]" 1
1583 1 99 GLU HB3 1 101 PHE H . . 5.500 5.145 5.038 5.235 . 0 0 "[ . 1 . 2]" 1
1584 1 99 GLU HG3 1 100 ALA H . . 4.660 4.442 4.401 4.490 . 0 0 "[ . 1 . 2]" 1
1585 1 99 GLU HG3 1 100 ALA HA . . 5.070 4.636 4.604 4.701 . 0 0 "[ . 1 . 2]" 1
1586 1 99 GLU HG3 1 100 ALA MB . . 5.050 5.132 5.113 5.153 0.103 14 0 "[ . 1 . 2]" 1
1587 1 100 ALA H 1 100 ALA MB . . 2.710 2.235 2.217 2.253 . 0 0 "[ . 1 . 2]" 1
1588 1 100 ALA H 1 101 PHE H . . 3.030 2.548 2.498 2.590 . 0 0 "[ . 1 . 2]" 1
1589 1 100 ALA H 1 101 PHE HA . . 5.220 5.195 5.152 5.222 0.002 17 0 "[ . 1 . 2]" 1
1590 1 100 ALA H 1 102 GLU H . . 4.500 4.396 4.325 4.463 . 0 0 "[ . 1 . 2]" 1
1591 1 100 ALA H 1 102 GLU HG3 . . 5.100 4.558 4.344 4.789 . 0 0 "[ . 1 . 2]" 1
1592 1 100 ALA H 1 103 SER H . . 4.760 4.814 4.771 4.841 0.081 7 0 "[ . 1 . 2]" 1
1593 1 100 ALA HA 1 102 GLU H . . 4.810 4.741 4.718 4.771 . 0 0 "[ . 1 . 2]" 1
1594 1 100 ALA HA 1 103 SER H . . 3.550 3.441 3.395 3.477 . 0 0 "[ . 1 . 2]" 1
1595 1 100 ALA HA 1 103 SER HB3 . . 3.790 3.044 2.605 3.862 0.072 8 0 "[ . 1 . 2]" 1
1596 1 100 ALA HA 1 104 LEU H . . 4.340 4.384 4.304 4.442 0.102 18 0 "[ . 1 . 2]" 1
1597 1 100 ALA HA 1 104 LEU QD . . 4.130 2.978 2.874 3.075 . 0 0 "[ . 1 . 2]" 1
1598 1 100 ALA MB 1 101 PHE H . . 3.180 2.645 2.547 2.783 . 0 0 "[ . 1 . 2]" 1
1599 1 100 ALA MB 1 101 PHE HA . . 4.120 3.913 3.876 3.943 . 0 0 "[ . 1 . 2]" 1
1600 1 100 ALA MB 1 101 PHE QD . . 4.520 3.213 3.136 3.307 . 0 0 "[ . 1 . 2]" 1
1601 1 100 ALA MB 1 102 GLU H . . 4.830 4.824 4.787 4.850 0.020 11 0 "[ . 1 . 2]" 1
1602 1 100 ALA MB 1 102 GLU HG3 . . 5.500 5.266 5.110 5.432 . 0 0 "[ . 1 . 2]" 1
1603 1 100 ALA MB 1 103 SER H . . 4.550 4.582 4.556 4.602 0.052 14 0 "[ . 1 . 2]" 1
1604 1 100 ALA MB 1 104 LEU H . . 4.770 4.771 4.707 4.790 0.020 18 0 "[ . 1 . 2]" 1
1605 1 101 PHE H 1 101 PHE HB3 . . 3.600 3.455 3.437 3.477 . 0 0 "[ . 1 . 2]" 1
1606 1 101 PHE H 1 101 PHE QD . . 3.140 2.675 2.560 2.870 . 0 0 "[ . 1 . 2]" 1
1607 1 101 PHE H 1 101 PHE QE . . 5.500 4.973 4.881 5.155 . 0 0 "[ . 1 . 2]" 1
1608 1 101 PHE H 1 102 GLU H . . 3.230 2.866 2.725 2.947 . 0 0 "[ . 1 . 2]" 1
1609 1 101 PHE H 1 102 GLU HA . . 5.460 5.466 5.361 5.528 0.068 12 0 "[ . 1 . 2]" 1
1610 1 101 PHE H 1 102 GLU HB3 . . 5.500 5.532 5.297 5.595 0.095 11 0 "[ . 1 . 2]" 1
1611 1 101 PHE H 1 102 GLU HG3 . . 4.220 4.283 4.225 4.362 0.142 1 0 "[ . 1 . 2]" 1
1612 1 101 PHE H 1 103 SER H . . 4.220 4.084 3.952 4.175 . 0 0 "[ . 1 . 2]" 1
1613 1 101 PHE H 1 104 LEU QD . . 4.510 4.368 4.223 4.561 0.051 20 0 "[ . 1 . 2]" 1
1614 1 101 PHE HA 1 101 PHE QD . . 3.140 2.987 2.969 3.004 . 0 0 "[ . 1 . 2]" 1
1615 1 101 PHE HA 1 101 PHE QE . . 4.490 4.489 4.454 4.517 0.027 7 0 "[ . 1 . 2]" 1
1616 1 101 PHE HA 1 103 SER H . . 5.200 4.309 4.210 4.403 . 0 0 "[ . 1 . 2]" 1
1617 1 101 PHE HA 1 104 LEU H . . 3.940 3.492 3.384 3.577 . 0 0 "[ . 1 . 2]" 1
1618 1 101 PHE HA 1 104 LEU QD . . 3.390 3.592 3.407 3.853 0.463 20 0 "[ . 1 . 2]" 1
1619 1 101 PHE HA 1 105 VAL H . . 4.730 3.862 3.741 4.012 . 0 0 "[ . 1 . 2]" 1
1620 1 101 PHE HA 1 105 VAL HB . . 4.540 4.243 4.088 4.352 . 0 0 "[ . 1 . 2]" 1
1621 1 101 PHE HA 1 105 VAL MG2 . . 5.500 5.372 5.308 5.444 . 0 0 "[ . 1 . 2]" 1
1622 1 101 PHE HB3 1 102 GLU H . . 2.900 2.986 2.932 3.006 0.106 5 0 "[ . 1 . 2]" 1
1623 1 101 PHE HB3 1 102 GLU HA . . 4.400 4.027 3.971 4.057 . 0 0 "[ . 1 . 2]" 1
1624 1 101 PHE HB3 1 105 VAL MG2 . . 4.760 4.830 4.803 4.857 0.097 11 0 "[ . 1 . 2]" 1
1625 1 101 PHE QD 1 102 GLU H . . 4.590 4.595 4.553 4.621 0.031 1 0 "[ . 1 . 2]" 1
1626 1 101 PHE QD 1 105 VAL MG2 . . 4.650 4.352 4.251 4.427 . 0 0 "[ . 1 . 2]" 1
1627 1 102 GLU H 1 102 GLU HB3 . . 3.070 2.729 2.486 2.915 . 0 0 "[ . 1 . 2]" 1
1628 1 102 GLU H 1 102 GLU HG3 . . 3.760 2.333 2.230 2.504 . 0 0 "[ . 1 . 2]" 1
1629 1 102 GLU H 1 103 SER H . . 3.240 2.773 2.714 2.822 . 0 0 "[ . 1 . 2]" 1
1630 1 102 GLU H 1 103 SER HA . . 5.320 5.397 5.362 5.431 0.111 7 0 "[ . 1 . 2]" 1
1631 1 102 GLU H 1 104 LEU H . . 4.380 4.273 4.235 4.312 . 0 0 "[ . 1 . 2]" 1
1632 1 102 GLU H 1 104 LEU QD . . 5.060 5.090 5.005 5.205 0.145 20 0 "[ . 1 . 2]" 1
1633 1 102 GLU H 1 105 VAL MG1 . . 4.410 4.292 4.178 4.394 . 0 0 "[ . 1 . 2]" 1
1634 1 102 GLU HA 1 103 SER H . . 3.530 3.545 3.523 3.568 0.038 1 0 "[ . 1 . 2]" 1
1635 1 102 GLU HA 1 105 VAL H . . 3.930 3.563 3.379 3.737 . 0 0 "[ . 1 . 2]" 1
1636 1 102 GLU HA 1 105 VAL HB . . 4.520 3.522 3.311 3.800 . 0 0 "[ . 1 . 2]" 1
1637 1 102 GLU HA 1 105 VAL MG1 . . 3.540 2.060 2.009 2.111 . 0 0 "[ . 1 . 2]" 1
1638 1 102 GLU HA 1 105 VAL MG2 . . 4.770 4.419 4.328 4.579 . 0 0 "[ . 1 . 2]" 1
1639 1 102 GLU HA 1 106 GLY H . . 4.150 4.080 3.882 4.200 0.050 19 0 "[ . 1 . 2]" 1
1640 1 102 GLU HA 1 107 GLU H . . 4.330 3.403 3.210 3.579 . 0 0 "[ . 1 . 2]" 1
1641 1 102 GLU HB3 1 103 SER H . . 4.400 4.169 3.990 4.259 . 0 0 "[ . 1 . 2]" 1
1642 1 102 GLU HG3 1 103 SER H . . 3.270 2.289 2.241 2.327 . 0 0 "[ . 1 . 2]" 1
1643 1 103 SER H 1 103 SER HB3 . . 3.520 2.855 2.527 3.542 0.022 4 0 "[ . 1 . 2]" 1
1644 1 103 SER H 1 104 LEU H . . 2.870 2.647 2.549 2.767 . 0 0 "[ . 1 . 2]" 1
1645 1 103 SER H 1 104 LEU MD1 . . 5.460 5.239 5.081 5.471 0.011 2 0 "[ . 1 . 2]" 1
1646 1 103 SER H 1 104 LEU QD . . 4.170 3.637 3.538 3.762 . 0 0 "[ . 1 . 2]" 1
1647 1 103 SER H 1 104 LEU MD2 . . 5.460 3.710 3.611 3.833 . 0 0 "[ . 1 . 2]" 1
1648 1 103 SER H 1 105 VAL H . . 4.540 4.148 4.079 4.250 . 0 0 "[ . 1 . 2]" 1
1649 1 103 SER H 1 106 GLY H . . 4.940 4.930 4.712 4.982 0.042 11 0 "[ . 1 . 2]" 1
1650 1 103 SER HA 1 106 GLY H . . 4.300 4.010 3.848 4.103 . 0 0 "[ . 1 . 2]" 1
1651 1 103 SER HB3 1 104 LEU H . . 4.140 3.196 2.864 3.841 . 0 0 "[ . 1 . 2]" 1
1652 1 103 SER HB3 1 104 LEU MD1 . . 4.820 3.585 3.495 3.778 . 0 0 "[ . 1 . 2]" 1
1653 1 103 SER HB3 1 104 LEU MD2 . . 4.820 2.349 2.141 2.847 . 0 0 "[ . 1 . 2]" 1
1654 1 104 LEU H 1 104 LEU HB3 . . 3.670 3.657 3.613 3.682 0.012 5 0 "[ . 1 . 2]" 1
1655 1 104 LEU H 1 104 LEU MD1 . . 4.070 3.596 3.497 3.755 . 0 0 "[ . 1 . 2]" 1
1656 1 104 LEU H 1 104 LEU QD . . 3.030 2.499 2.417 2.566 . 0 0 "[ . 1 . 2]" 1
1657 1 104 LEU H 1 104 LEU MD2 . . 4.070 2.550 2.464 2.612 . 0 0 "[ . 1 . 2]" 1
1658 1 104 LEU H 1 105 VAL H . . 3.110 2.272 2.219 2.331 . 0 0 "[ . 1 . 2]" 1
1659 1 104 LEU H 1 105 VAL HA . . 5.030 4.995 4.948 5.051 0.021 15 0 "[ . 1 . 2]" 1
1660 1 104 LEU H 1 105 VAL HB . . 4.300 4.338 4.312 4.364 0.064 7 0 "[ . 1 . 2]" 1
1661 1 104 LEU H 1 105 VAL MG2 . . 5.440 5.523 5.500 5.551 0.111 7 0 "[ . 1 . 2]" 1
1662 1 104 LEU H 1 106 GLY H . . 4.110 3.710 3.642 3.816 . 0 0 "[ . 1 . 2]" 1
1663 1 104 LEU HA 1 104 LEU MD1 . . 3.500 2.008 1.997 2.022 . 0 0 "[ . 1 . 2]" 1
1664 1 104 LEU HA 1 104 LEU QD . . 2.900 1.989 1.980 2.003 . 0 0 "[ . 1 . 2]" 1
1665 1 104 LEU HA 1 104 LEU MD2 . . 3.500 3.220 3.130 3.268 . 0 0 "[ . 1 . 2]" 1
1666 1 104 LEU HA 1 104 LEU HG . . 3.770 3.603 3.585 3.630 . 0 0 "[ . 1 . 2]" 1
1667 1 104 LEU HA 1 105 VAL H . . 3.550 3.498 3.482 3.513 . 0 0 "[ . 1 . 2]" 1
1668 1 104 LEU HA 1 106 GLY H . . 4.630 3.828 3.682 4.024 . 0 0 "[ . 1 . 2]" 1
1669 1 104 LEU HB3 1 105 VAL H . . 4.810 3.809 3.680 3.871 . 0 0 "[ . 1 . 2]" 1
1670 1 104 LEU HB3 1 105 VAL HA . . 4.610 4.563 4.443 4.625 0.015 19 0 "[ . 1 . 2]" 1
1671 1 104 LEU HB3 1 106 GLY H . . 5.500 5.350 5.245 5.505 0.005 17 0 "[ . 1 . 2]" 1
1672 1 104 LEU QD 1 105 VAL H . . 4.120 3.970 3.890 4.033 . 0 0 "[ . 1 . 2]" 1
1673 1 105 VAL H 1 105 VAL HB . . 3.500 2.301 2.251 2.362 . 0 0 "[ . 1 . 2]" 1
1674 1 105 VAL H 1 105 VAL MG1 . . 3.000 2.619 2.458 2.798 . 0 0 "[ . 1 . 2]" 1
1675 1 105 VAL H 1 105 VAL MG2 . . 3.710 3.689 3.640 3.732 0.022 5 0 "[ . 1 . 2]" 1
1676 1 105 VAL H 1 106 GLY QA . . 4.430 4.478 4.447 4.491 0.061 19 0 "[ . 1 . 2]" 1
1677 1 105 VAL H 1 107 GLU H . . 4.320 4.090 3.916 4.204 . 0 0 "[ . 1 . 2]" 1
1678 1 105 VAL HA 1 105 VAL MG1 . . 3.220 3.221 3.197 3.234 0.014 19 0 "[ . 1 . 2]" 1
1679 1 105 VAL HA 1 105 VAL MG2 . . 2.590 2.171 2.128 2.194 . 0 0 "[ . 1 . 2]" 1
1680 1 105 VAL HB 1 106 GLY H . . 3.970 3.881 3.792 3.947 . 0 0 "[ . 1 . 2]" 1
1681 1 105 VAL HB 1 107 GLU H . . 4.680 4.415 4.232 4.598 . 0 0 "[ . 1 . 2]" 1
1682 1 105 VAL MG1 1 106 GLY H . . 3.120 2.457 2.360 2.584 . 0 0 "[ . 1 . 2]" 1
1683 1 105 VAL MG1 1 106 GLY QA . . 4.330 3.509 3.468 3.552 . 0 0 "[ . 1 . 2]" 1
1684 1 105 VAL MG1 1 107 GLU H . . 4.250 1.903 1.751 2.090 . 0 0 "[ . 1 . 2]" 1
1685 1 105 VAL MG1 1 107 GLU HA . . 4.240 3.787 3.471 3.937 . 0 0 "[ . 1 . 2]" 1
1686 1 105 VAL MG1 1 108 GLY H . . 4.970 3.587 3.316 4.046 . 0 0 "[ . 1 . 2]" 1
1687 1 105 VAL MG1 1 108 GLY QA . . 5.290 4.893 4.590 5.298 0.008 14 0 "[ . 1 . 2]" 1
1688 1 105 VAL MG2 1 106 GLY H . . 4.560 4.216 4.119 4.299 . 0 0 "[ . 1 . 2]" 1
1689 1 105 VAL MG2 1 107 GLU H . . 5.380 4.233 3.980 4.532 . 0 0 "[ . 1 . 2]" 1
1690 1 106 GLY H 1 106 GLY QA . . 2.530 2.260 2.224 2.287 . 0 0 "[ . 1 . 2]" 1
1691 1 106 GLY H 1 107 GLU H . . 3.560 2.392 2.191 2.551 . 0 0 "[ . 1 . 2]" 1
1692 1 106 GLY H 1 108 GLY H . . 4.620 3.610 3.404 4.122 . 0 0 "[ . 1 . 2]" 1
1693 1 106 GLY QA 1 107 GLU H . . 2.920 2.921 2.855 2.961 0.041 5 0 "[ . 1 . 2]" 1
1694 1 107 GLU H 1 107 GLU HB3 . . 3.510 3.541 3.487 3.582 0.072 1 0 "[ . 1 . 2]" 1
1695 1 107 GLU H 1 108 GLY H . . 4.260 2.459 2.277 2.803 . 0 0 "[ . 1 . 2]" 1
1696 1 107 GLU HA 1 108 GLY H . . 3.470 3.476 3.162 3.551 0.081 8 0 "[ . 1 . 2]" 1
1697 1 107 GLU HB3 1 108 GLY H . . 5.420 3.781 3.428 4.365 . 0 0 "[ . 1 . 2]" 1
1698 1 107 GLU HB3 1 108 GLY QA . . 4.590 4.314 4.093 4.596 0.006 1 0 "[ . 1 . 2]" 1
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