NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
464264 |
2rqw   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqw
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 977
_Distance_constraint_stats_list.Viol_count 1063
_Distance_constraint_stats_list.Viol_total 630.872
_Distance_constraint_stats_list.Viol_max 0.357
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0297
_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 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.013 0.007 9 0 "[ . 1 . 2]"
1 6 ILE 0.444 0.080 17 0 "[ . 1 . 2]"
1 7 VAL 2.307 0.350 17 0 "[ . 1 . 2]"
1 8 LEU 1.158 0.085 17 0 "[ . 1 . 2]"
1 9 TYR 2.114 0.079 19 0 "[ . 1 . 2]"
1 10 ASP 0.334 0.063 4 0 "[ . 1 . 2]"
1 11 PHE 0.180 0.022 5 0 "[ . 1 . 2]"
1 12 LYS 0.102 0.016 16 0 "[ . 1 . 2]"
1 13 ALA 0.407 0.066 13 0 "[ . 1 . 2]"
1 14 GLU 0.195 0.063 12 0 "[ . 1 . 2]"
1 15 LYS 0.714 0.087 14 0 "[ . 1 . 2]"
1 16 ALA 0.166 0.032 19 0 "[ . 1 . 2]"
1 17 ASP 0.145 0.145 10 0 "[ . 1 . 2]"
1 18 GLU 1.625 0.121 12 0 "[ . 1 . 2]"
1 19 LEU 2.075 0.260 13 0 "[ . 1 . 2]"
1 20 THR 0.287 0.066 13 0 "[ . 1 . 2]"
1 21 THR 0.262 0.022 5 0 "[ . 1 . 2]"
1 22 TYR 0.104 0.035 13 0 "[ . 1 . 2]"
1 23 VAL 0.271 0.035 13 0 "[ . 1 . 2]"
1 24 GLY 0.232 0.049 2 0 "[ . 1 . 2]"
1 25 GLU 0.637 0.350 17 0 "[ . 1 . 2]"
1 26 ASN 0.137 0.062 17 0 "[ . 1 . 2]"
1 27 LEU 1.474 0.170 17 0 "[ . 1 . 2]"
1 29 ILE 2.316 0.171 9 0 "[ . 1 . 2]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 1.672 0.243 18 0 "[ . 1 . 2]"
1 32 HIS 0.827 0.113 18 0 "[ . 1 . 2]"
1 33 HIS 0.735 0.116 4 0 "[ . 1 . 2]"
1 34 ASN 0.336 0.106 9 0 "[ . 1 . 2]"
1 35 CYS 0.057 0.016 17 0 "[ . 1 . 2]"
1 36 GLU 0.322 0.067 14 0 "[ . 1 . 2]"
1 37 TRP 2.802 0.153 19 0 "[ . 1 . 2]"
1 38 PHE 3.317 0.192 14 0 "[ . 1 . 2]"
1 39 ILE 1.055 0.125 19 0 "[ . 1 . 2]"
1 40 ALA 2.435 0.182 16 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.032 0.031 3 0 "[ . 1 . 2]"
1 45 ARG 0.032 0.031 3 0 "[ . 1 . 2]"
1 47 GLY 0.248 0.097 16 0 "[ . 1 . 2]"
1 48 GLY 0.391 0.080 17 0 "[ . 1 . 2]"
1 49 PRO 2.050 0.260 13 0 "[ . 1 . 2]"
1 50 GLY 0.095 0.064 12 0 "[ . 1 . 2]"
1 51 LEU 1.839 0.145 10 0 "[ . 1 . 2]"
1 52 VAL 1.958 0.171 9 0 "[ . 1 . 2]"
1 53 PRO 0.359 0.078 14 0 "[ . 1 . 2]"
1 54 VAL 4.277 0.192 14 0 "[ . 1 . 2]"
1 55 GLY 0.022 0.022 14 0 "[ . 1 . 2]"
1 56 PHE 0.688 0.086 11 0 "[ . 1 . 2]"
1 57 VAL 2.155 0.086 16 0 "[ . 1 . 2]"
1 58 SER 0.284 0.085 17 0 "[ . 1 . 2]"
1 59 ILE 0.050 0.013 2 0 "[ . 1 . 2]"
1 60 ILE 0.298 0.080 17 0 "[ . 1 . 2]"
1 64 THR 0.015 0.015 17 0 "[ . 1 . 2]"
1 65 GLY 0.015 0.015 17 0 "[ . 1 . 2]"
1 66 TYR 0.303 0.042 19 0 "[ . 1 . 2]"
1 67 ALA 0.896 0.201 12 0 "[ . 1 . 2]"
1 68 THR 0.519 0.357 19 0 "[ . 1 . 2]"
1 69 GLY 1.427 0.357 19 0 "[ . 1 . 2]"
1 70 ASN 0.090 0.035 11 0 "[ . 1 . 2]"
1 71 ASP 0.107 0.052 17 0 "[ . 1 . 2]"
1 72 VAL 0.364 0.075 20 0 "[ . 1 . 2]"
1 73 ILE 0.194 0.039 17 0 "[ . 1 . 2]"
1 74 GLU 0.702 0.218 20 0 "[ . 1 . 2]"
1 75 ASP 0.053 0.053 20 0 "[ . 1 . 2]"
1 76 ILE 0.754 0.218 20 0 "[ . 1 . 2]"
1 77 LYS 0.021 0.016 4 0 "[ . 1 . 2]"
1 78 SER 0.005 0.005 15 0 "[ . 1 . 2]"
1 79 VAL 0.036 0.008 17 0 "[ . 1 . 2]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.282 0.056 8 0 "[ . 1 . 2]"
1 83 THR 0.769 0.078 17 0 "[ . 1 . 2]"
1 84 VAL 1.105 0.113 18 0 "[ . 1 . 2]"
1 85 GLN 0.848 0.091 17 0 "[ . 1 . 2]"
1 86 GLU 0.309 0.053 7 0 "[ . 1 . 2]"
1 87 TRP 0.673 0.092 12 0 "[ . 1 . 2]"
1 88 LYS 0.632 0.243 18 0 "[ . 1 . 2]"
1 89 SER 0.007 0.006 15 0 "[ . 1 . 2]"
1 91 ILE 0.137 0.050 1 0 "[ . 1 . 2]"
1 92 ALA 0.124 0.050 1 0 "[ . 1 . 2]"
1 93 ARG 0.431 0.148 16 0 "[ . 1 . 2]"
1 94 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 0.003 0.003 12 0 "[ . 1 . 2]"
1 97 SER 0.022 0.019 8 0 "[ . 1 . 2]"
1 98 ASN 0.468 0.131 3 0 "[ . 1 . 2]"
1 99 ILE 0.544 0.131 3 0 "[ . 1 . 2]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 LYS 0.113 0.087 13 0 "[ . 1 . 2]"
2 8 PHE 0.234 0.087 13 0 "[ . 1 . 2]"
2 9 ILE 0.884 0.116 4 0 "[ . 1 . 2]"
2 10 PRO 0.321 0.040 9 0 "[ . 1 . 2]"
2 11 SER 0.122 0.122 4 0 "[ . 1 . 2]"
2 12 ARG 0.018 0.018 8 0 "[ . 1 . 2]"
2 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 ALA 0.696 0.085 10 0 "[ . 1 . 2]"
2 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 PRO 0.248 0.058 14 0 "[ . 1 . 2]"
2 18 PRO 0.455 0.051 14 0 "[ . 1 . 2]"
2 19 SER 0.274 0.051 14 0 "[ . 1 . 2]"
2 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LEU HA 1 3 LEU QD . . 4.210 2.869 2.028 3.429 . 0 0 "[ . 1 . 2]" 1
2 1 5 ALA H 1 59 ILE MD . . 5.010 4.697 4.052 5.014 0.004 12 0 "[ . 1 . 2]" 1
3 1 5 ALA HA 1 6 ILE MG . . 4.490 4.116 3.859 4.274 . 0 0 "[ . 1 . 2]" 1
4 1 5 ALA HA 1 59 ILE HA . . 4.240 2.393 2.040 2.612 . 0 0 "[ . 1 . 2]" 1
5 1 5 ALA HA 1 59 ILE MD . . 4.180 3.369 3.010 3.685 . 0 0 "[ . 1 . 2]" 1
6 1 5 ALA MB 1 6 ILE H . . 3.500 2.826 2.520 3.170 . 0 0 "[ . 1 . 2]" 1
7 1 5 ALA MB 1 29 ILE MD . . 3.540 1.892 1.580 2.741 . 0 0 "[ . 1 . 2]" 1
8 1 5 ALA MB 1 57 VAL HA . . 5.060 4.671 4.239 5.001 . 0 0 "[ . 1 . 2]" 1
9 1 5 ALA MB 1 57 VAL HB . . 3.690 2.795 2.487 3.194 . 0 0 "[ . 1 . 2]" 1
10 1 5 ALA MB 1 58 SER HA . . 5.110 4.846 4.379 5.117 0.007 9 0 "[ . 1 . 2]" 1
11 1 5 ALA MB 1 59 ILE HA . . 3.850 3.066 2.727 3.488 . 0 0 "[ . 1 . 2]" 1
12 1 5 ALA MB 1 59 ILE MD . . 2.990 2.390 1.940 2.797 . 0 0 "[ . 1 . 2]" 1
13 1 6 ILE H 1 6 ILE MD . . 4.660 4.185 3.931 4.307 . 0 0 "[ . 1 . 2]" 1
14 1 6 ILE H 1 6 ILE MG . . 3.470 2.400 2.129 2.516 . 0 0 "[ . 1 . 2]" 1
15 1 6 ILE H 1 8 LEU MD2 . . 4.860 4.284 3.826 4.660 . 0 0 "[ . 1 . 2]" 1
16 1 6 ILE H 1 27 LEU QD . . 3.740 3.446 2.916 3.761 0.021 3 0 "[ . 1 . 2]" 1
17 1 6 ILE H 1 57 VAL HA . . 4.540 4.402 4.169 4.558 0.018 16 0 "[ . 1 . 2]" 1
18 1 6 ILE H 1 60 ILE MG . . 4.880 4.372 3.103 4.960 0.080 17 0 "[ . 1 . 2]" 1
19 1 6 ILE HA 1 6 ILE MD . . 4.040 2.831 2.720 2.934 . 0 0 "[ . 1 . 2]" 1
20 1 6 ILE HA 1 7 VAL H . . 3.490 2.201 2.177 2.229 . 0 0 "[ . 1 . 2]" 1
21 1 6 ILE HA 1 8 LEU MD2 . . 5.260 4.545 4.348 4.722 . 0 0 "[ . 1 . 2]" 1
22 1 6 ILE HA 1 26 ASN HA . . 4.360 2.341 2.021 2.583 . 0 0 "[ . 1 . 2]" 1
23 1 6 ILE HA 1 27 LEU QD . . 5.120 2.432 2.066 2.929 . 0 0 "[ . 1 . 2]" 1
24 1 6 ILE HA 1 57 VAL HB . . 4.790 4.619 4.282 4.816 0.026 14 0 "[ . 1 . 2]" 1
25 1 6 ILE HA 1 58 SER H . . 4.670 4.458 4.222 4.588 . 0 0 "[ . 1 . 2]" 1
26 1 6 ILE HB 1 8 LEU MD2 . . 4.470 4.186 4.056 4.393 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE MD 1 7 VAL H . . 3.200 2.408 2.231 2.677 . 0 0 "[ . 1 . 2]" 1
28 1 6 ILE MD 1 8 LEU HA . . 4.360 3.392 3.055 3.732 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE MD 1 24 GLY H . . 4.120 3.911 3.599 4.098 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE MD 1 24 GLY HA2 . . 3.770 2.523 2.287 2.630 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE MD 1 24 GLY HA3 . . 3.840 3.743 3.556 3.855 0.015 11 0 "[ . 1 . 2]" 1
32 1 6 ILE MD 1 26 ASN H . . 5.090 4.601 4.117 5.096 0.006 12 0 "[ . 1 . 2]" 1
33 1 6 ILE MD 1 26 ASN HD21 . . 3.870 3.404 2.665 3.875 0.005 14 0 "[ . 1 . 2]" 1
34 1 6 ILE HG13 1 7 VAL H . . 4.890 4.573 4.379 4.794 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE HG13 1 24 GLY HA2 . . 5.360 5.176 4.649 5.367 0.007 20 0 "[ . 1 . 2]" 1
36 1 6 ILE MG 1 7 VAL H . . 4.280 3.730 3.486 4.084 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE MG 1 7 VAL HA . . 4.570 4.009 3.845 4.370 . 0 0 "[ . 1 . 2]" 1
38 1 6 ILE MG 1 8 LEU HA . . 4.810 4.290 3.911 4.811 0.001 4 0 "[ . 1 . 2]" 1
39 1 6 ILE MG 1 25 GLU H . . 5.040 4.768 4.325 5.098 0.058 4 0 "[ . 1 . 2]" 1
40 1 6 ILE MG 1 26 ASN HA . . 5.170 4.836 4.597 5.074 . 0 0 "[ . 1 . 2]" 1
41 1 6 ILE MG 1 26 ASN HD21 . . 5.170 4.703 4.136 5.183 0.013 20 0 "[ . 1 . 2]" 1
42 1 6 ILE MG 1 57 VAL HA . . 4.280 4.129 3.859 4.290 0.010 7 0 "[ . 1 . 2]" 1
43 1 6 ILE MG 1 58 SER H . . 3.880 2.730 2.447 2.963 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE MG 1 58 SER HA . . 4.640 4.332 3.997 4.555 . 0 0 "[ . 1 . 2]" 1
45 1 7 VAL H 1 7 VAL HB . . 3.680 2.325 1.988 3.577 . 0 0 "[ . 1 . 2]" 1
46 1 7 VAL H 1 7 VAL QG . . 3.290 2.682 1.868 2.896 . 0 0 "[ . 1 . 2]" 1
47 1 7 VAL H 1 8 LEU MD2 . . 4.860 4.256 3.951 4.523 . 0 0 "[ . 1 . 2]" 1
48 1 7 VAL H 1 9 TYR H . . 5.500 5.520 5.308 5.579 0.079 19 0 "[ . 1 . 2]" 1
49 1 7 VAL H 1 24 GLY H . . 5.220 5.159 5.055 5.239 0.019 19 0 "[ . 1 . 2]" 1
50 1 7 VAL H 1 25 GLU H . . 3.860 2.657 2.493 2.965 . 0 0 "[ . 1 . 2]" 1
51 1 7 VAL H 1 26 ASN HA . . 4.180 3.273 2.907 3.534 . 0 0 "[ . 1 . 2]" 1
52 1 7 VAL H 1 26 ASN HD21 . . 5.000 4.627 4.191 4.996 . 0 0 "[ . 1 . 2]" 1
53 1 7 VAL H 1 27 LEU QD . . 5.020 2.489 2.065 3.005 . 0 0 "[ . 1 . 2]" 1
54 1 7 VAL H 1 57 VAL HA . . 5.000 4.627 4.313 4.809 . 0 0 "[ . 1 . 2]" 1
55 1 7 VAL H 1 58 SER H . . 4.870 4.786 4.600 4.885 0.015 19 0 "[ . 1 . 2]" 1
56 1 7 VAL HA 1 7 VAL MG1 . . 3.740 2.660 2.358 2.849 . 0 0 "[ . 1 . 2]" 1
57 1 7 VAL HA 1 7 VAL MG2 . . 3.740 2.322 2.108 3.211 . 0 0 "[ . 1 . 2]" 1
58 1 7 VAL HA 1 8 LEU MD2 . . 4.570 3.843 3.591 4.073 . 0 0 "[ . 1 . 2]" 1
59 1 7 VAL HA 1 9 TYR H . . 3.970 3.399 3.358 3.495 . 0 0 "[ . 1 . 2]" 1
60 1 7 VAL HA 1 27 LEU MD1 . . 4.730 4.096 3.206 4.736 0.006 18 0 "[ . 1 . 2]" 1
61 1 7 VAL HA 1 27 LEU QD . . 3.930 3.405 2.921 3.993 0.063 17 0 "[ . 1 . 2]" 1
62 1 7 VAL HA 1 27 LEU MD2 . . 4.730 3.983 2.985 4.821 0.091 16 0 "[ . 1 . 2]" 1
63 1 7 VAL HA 1 57 VAL H . . 5.010 4.792 4.459 4.943 . 0 0 "[ . 1 . 2]" 1
64 1 7 VAL HA 1 57 VAL HA . . 3.970 2.153 1.939 2.277 . 0 0 "[ . 1 . 2]" 1
65 1 7 VAL HA 1 57 VAL MG1 . . 3.650 2.592 2.434 2.788 . 0 0 "[ . 1 . 2]" 1
66 1 7 VAL HA 1 58 SER H . . 4.460 3.622 3.418 3.817 . 0 0 "[ . 1 . 2]" 1
67 1 7 VAL HB 1 23 VAL HA . . 4.830 4.609 4.135 4.810 . 0 0 "[ . 1 . 2]" 1
68 1 7 VAL HB 1 24 GLY H . . 5.240 4.661 4.400 4.939 . 0 0 "[ . 1 . 2]" 1
69 1 7 VAL HB 1 25 GLU H . . 3.930 2.706 2.066 4.280 0.350 17 0 "[ . 1 . 2]" 1
70 1 7 VAL HB 1 27 LEU QD . . 4.410 2.810 2.222 3.708 . 0 0 "[ . 1 . 2]" 1
71 1 7 VAL QG 1 8 LEU H . . 3.630 2.860 2.530 3.571 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL QG 1 8 LEU HA . . 3.800 3.616 3.448 3.852 0.052 1 0 "[ . 1 . 2]" 1
73 1 7 VAL QG 1 9 TYR H . . 3.140 2.132 1.899 3.204 0.064 4 0 "[ . 1 . 2]" 1
74 1 7 VAL QG 1 9 TYR QD . . 4.930 4.193 3.615 4.926 . 0 0 "[ . 1 . 2]" 1
75 1 7 VAL QG 1 10 ASP HA . . 3.810 3.154 2.901 3.873 0.063 4 0 "[ . 1 . 2]" 1
76 1 7 VAL QG 1 21 THR HB . . 3.710 3.031 2.450 3.726 0.016 4 0 "[ . 1 . 2]" 1
77 1 7 VAL QG 1 22 TYR HA . . 4.700 4.186 3.863 4.389 . 0 0 "[ . 1 . 2]" 1
78 1 7 VAL QG 1 23 VAL HA . . 3.240 2.257 2.095 2.805 . 0 0 "[ . 1 . 2]" 1
79 1 7 VAL QG 1 24 GLY H . . 3.550 2.745 2.489 2.884 . 0 0 "[ . 1 . 2]" 1
80 1 7 VAL QG 1 24 GLY HA2 . . 3.860 3.759 3.368 3.909 0.049 2 0 "[ . 1 . 2]" 1
81 1 7 VAL QG 1 24 GLY HA3 . . 4.630 4.425 4.091 4.622 . 0 0 "[ . 1 . 2]" 1
82 1 7 VAL QG 1 25 GLU H . . 3.590 2.274 1.712 2.752 . 0 0 "[ . 1 . 2]" 1
83 1 7 VAL QG 1 57 VAL HA . . 3.890 3.171 2.966 3.625 . 0 0 "[ . 1 . 2]" 1
84 1 7 VAL MG1 1 8 LEU H . . 4.510 3.046 2.576 4.411 . 0 0 "[ . 1 . 2]" 1
85 1 7 VAL MG2 1 8 LEU H . . 4.510 3.723 3.401 3.883 . 0 0 "[ . 1 . 2]" 1
86 1 8 LEU H 1 8 LEU HB3 . . 3.880 3.656 3.620 3.756 . 0 0 "[ . 1 . 2]" 1
87 1 8 LEU H 1 8 LEU MD1 . . 3.790 3.480 3.356 3.587 . 0 0 "[ . 1 . 2]" 1
88 1 8 LEU H 1 8 LEU MD2 . . 3.790 3.155 2.979 3.302 . 0 0 "[ . 1 . 2]" 1
89 1 8 LEU H 1 8 LEU HG . . 4.310 1.964 1.917 2.118 . 0 0 "[ . 1 . 2]" 1
90 1 8 LEU H 1 9 TYR H . . 3.580 2.110 1.907 2.224 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU H 1 57 VAL HA . . 3.990 2.752 2.494 2.992 . 0 0 "[ . 1 . 2]" 1
92 1 8 LEU H 1 57 VAL MG1 . . 3.850 3.843 3.632 3.888 0.038 3 0 "[ . 1 . 2]" 1
93 1 8 LEU H 1 58 SER H . . 4.650 4.353 4.102 4.662 0.012 2 0 "[ . 1 . 2]" 1
94 1 8 LEU HA 1 8 LEU MD1 . . 4.210 4.040 4.015 4.074 . 0 0 "[ . 1 . 2]" 1
95 1 8 LEU HA 1 8 LEU MD2 . . 2.930 2.516 2.356 2.747 . 0 0 "[ . 1 . 2]" 1
96 1 8 LEU HB3 1 8 LEU MD1 . . 3.250 2.579 2.506 2.673 . 0 0 "[ . 1 . 2]" 1
97 1 8 LEU HB3 1 8 LEU MD2 . . 3.230 2.291 2.180 2.379 . 0 0 "[ . 1 . 2]" 1
98 1 8 LEU HB3 1 9 TYR H . . 4.610 4.495 4.426 4.598 . 0 0 "[ . 1 . 2]" 1
99 1 8 LEU MD1 1 9 TYR H . . 4.960 4.725 4.603 4.852 . 0 0 "[ . 1 . 2]" 1
100 1 8 LEU MD1 1 9 TYR QE . . 3.660 2.240 1.967 2.541 . 0 0 "[ . 1 . 2]" 1
101 1 8 LEU MD1 1 57 VAL HA . . 4.060 3.853 3.388 4.064 0.004 5 0 "[ . 1 . 2]" 1
102 1 8 LEU MD1 1 58 SER H . . 4.030 3.851 3.628 4.053 0.023 5 0 "[ . 1 . 2]" 1
103 1 8 LEU MD1 1 58 SER HA . . 4.160 3.973 3.619 4.245 0.085 17 0 "[ . 1 . 2]" 1
104 1 8 LEU MD2 1 9 TYR H . . 4.730 4.626 4.525 4.757 0.027 17 0 "[ . 1 . 2]" 1
105 1 8 LEU MD2 1 9 TYR QD . . 5.120 5.080 4.883 5.150 0.030 3 0 "[ . 1 . 2]" 1
106 1 8 LEU MD2 1 9 TYR QE . . 4.640 4.575 4.235 4.649 0.009 15 0 "[ . 1 . 2]" 1
107 1 8 LEU MD2 1 57 VAL HA . . 4.090 4.026 3.795 4.136 0.046 5 0 "[ . 1 . 2]" 1
108 1 8 LEU MD2 1 57 VAL HB . . 5.430 5.255 4.890 5.439 0.009 11 0 "[ . 1 . 2]" 1
109 1 8 LEU MD2 1 58 SER H . . 3.880 3.469 2.832 3.808 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU HG 1 9 TYR H . . 4.330 3.926 3.824 4.063 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU HG 1 9 TYR QD . . 4.250 4.070 3.650 4.275 0.025 14 0 "[ . 1 . 2]" 1
112 1 8 LEU HG 1 57 VAL HA . . 4.180 2.944 2.618 3.066 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU HG 1 57 VAL HB . . 5.070 4.999 4.574 5.104 0.034 19 0 "[ . 1 . 2]" 1
114 1 8 LEU HG 1 58 SER H . . 4.070 3.519 3.189 3.769 . 0 0 "[ . 1 . 2]" 1
115 1 9 TYR H 1 9 TYR HB3 . . 3.840 3.843 3.782 3.898 0.058 4 0 "[ . 1 . 2]" 1
116 1 9 TYR H 1 9 TYR QD . . 4.000 2.869 2.530 3.095 . 0 0 "[ . 1 . 2]" 1
117 1 9 TYR H 1 9 TYR QE . . 4.640 4.615 4.370 4.668 0.028 20 0 "[ . 1 . 2]" 1
118 1 9 TYR H 1 10 ASP H . . 4.540 4.407 4.368 4.434 . 0 0 "[ . 1 . 2]" 1
119 1 9 TYR H 1 10 ASP HA . . 4.910 4.625 4.547 4.740 . 0 0 "[ . 1 . 2]" 1
120 1 9 TYR H 1 23 VAL HB . . 4.700 4.225 3.940 4.538 . 0 0 "[ . 1 . 2]" 1
121 1 9 TYR H 1 56 PHE HA . . 4.420 4.196 3.886 4.442 0.022 4 0 "[ . 1 . 2]" 1
122 1 9 TYR H 1 57 VAL HA . . 4.410 4.332 4.115 4.437 0.027 1 0 "[ . 1 . 2]" 1
123 1 9 TYR H 1 57 VAL MG1 . . 4.380 4.280 4.089 4.410 0.030 10 0 "[ . 1 . 2]" 1
124 1 9 TYR HA 1 10 ASP H . . 2.920 2.415 2.340 2.590 . 0 0 "[ . 1 . 2]" 1
125 1 9 TYR HA 1 23 VAL HB . . 3.980 2.301 2.030 2.837 . 0 0 "[ . 1 . 2]" 1
126 1 9 TYR HA 1 23 VAL MG1 . . 3.100 2.109 1.927 2.286 . 0 0 "[ . 1 . 2]" 1
127 1 9 TYR HA 1 23 VAL MG2 . . 4.300 3.896 3.708 4.269 . 0 0 "[ . 1 . 2]" 1
128 1 9 TYR HB3 1 10 ASP H . . 3.390 2.812 2.386 3.033 . 0 0 "[ . 1 . 2]" 1
129 1 9 TYR QD 1 10 ASP H . . 4.750 4.434 4.129 4.643 . 0 0 "[ . 1 . 2]" 1
130 1 9 TYR QD 1 23 VAL MG1 . . 4.420 3.957 3.629 4.388 . 0 0 "[ . 1 . 2]" 1
131 1 9 TYR QD 1 56 PHE H . . 4.950 4.717 4.483 4.838 . 0 0 "[ . 1 . 2]" 1
132 1 9 TYR QD 1 57 VAL H . . 4.430 4.404 3.938 4.470 0.040 7 0 "[ . 1 . 2]" 1
133 1 9 TYR QD 2 17 PRO HB3 . . 4.420 3.917 3.365 4.159 . 0 0 "[ . 1 . 2]" 1
134 1 9 TYR QD 2 18 PRO HG3 . . 4.430 3.970 3.407 4.310 . 0 0 "[ . 1 . 2]" 1
135 1 9 TYR QE 1 56 PHE HA . . 3.730 3.577 3.367 3.751 0.021 11 0 "[ . 1 . 2]" 1
136 1 9 TYR QE 2 17 PRO HB3 . . 5.340 5.110 4.541 5.349 0.009 10 0 "[ . 1 . 2]" 1
137 1 10 ASP H 1 10 ASP HB3 . . 3.800 2.762 2.211 3.517 . 0 0 "[ . 1 . 2]" 1
138 1 10 ASP H 1 11 PHE H . . 4.790 4.560 4.368 4.638 . 0 0 "[ . 1 . 2]" 1
139 1 10 ASP H 1 22 TYR HA . . 5.500 4.853 4.594 5.298 . 0 0 "[ . 1 . 2]" 1
140 1 10 ASP H 1 23 VAL HB . . 4.620 3.830 3.569 4.615 . 0 0 "[ . 1 . 2]" 1
141 1 10 ASP H 1 23 VAL MG1 . . 3.020 1.892 1.730 2.411 . 0 0 "[ . 1 . 2]" 1
142 1 10 ASP H 1 23 VAL MG2 . . 5.150 4.509 4.331 5.149 . 0 0 "[ . 1 . 2]" 1
143 1 10 ASP H 1 56 PHE QD . . 4.460 4.020 3.592 4.345 . 0 0 "[ . 1 . 2]" 1
144 1 10 ASP HA 1 11 PHE H . . 3.200 2.443 2.277 2.498 . 0 0 "[ . 1 . 2]" 1
145 1 10 ASP HA 1 21 THR H . . 4.800 4.396 3.945 4.715 . 0 0 "[ . 1 . 2]" 1
146 1 10 ASP HA 1 22 TYR HA . . 3.690 3.463 2.971 3.711 0.021 7 0 "[ . 1 . 2]" 1
147 1 10 ASP HA 1 23 VAL H . . 4.060 4.003 3.690 4.084 0.024 16 0 "[ . 1 . 2]" 1
148 1 10 ASP HA 1 23 VAL HA . . 4.180 3.739 3.436 4.211 0.031 19 0 "[ . 1 . 2]" 1
149 1 10 ASP HB3 1 11 PHE H . . 4.330 3.892 3.483 4.159 . 0 0 "[ . 1 . 2]" 1
150 1 11 PHE H 1 12 LYS H . . 4.500 4.267 4.144 4.490 . 0 0 "[ . 1 . 2]" 1
151 1 11 PHE H 1 21 THR H . . 3.930 3.283 2.967 3.604 . 0 0 "[ . 1 . 2]" 1
152 1 11 PHE H 1 21 THR HB . . 4.980 4.582 3.671 5.002 0.022 5 0 "[ . 1 . 2]" 1
153 1 11 PHE H 1 23 VAL MG1 . . 5.190 4.951 4.685 5.138 . 0 0 "[ . 1 . 2]" 1
154 1 11 PHE H 1 56 PHE QD . . 4.630 4.564 4.162 4.647 0.017 3 0 "[ . 1 . 2]" 1
155 1 11 PHE HA 1 12 LYS H . . 2.870 2.280 2.209 2.520 . 0 0 "[ . 1 . 2]" 1
156 1 11 PHE QD 1 12 LYS H . . 3.500 2.640 1.942 3.511 0.011 19 0 "[ . 1 . 2]" 1
157 1 11 PHE QE 1 13 ALA H . . 5.380 5.081 4.415 5.391 0.011 17 0 "[ . 1 . 2]" 1
158 1 11 PHE QE 1 13 ALA HA . . 3.950 3.319 2.369 3.920 . 0 0 "[ . 1 . 2]" 1
159 1 11 PHE QE 2 15 PRO HB3 . . 4.700 2.862 2.060 4.087 . 0 0 "[ . 1 . 2]" 1
160 1 11 PHE HZ 2 15 PRO HG3 . . 4.930 3.627 2.774 4.825 . 0 0 "[ . 1 . 2]" 1
161 1 12 LYS H 1 12 LYS HG3 . . 3.540 2.764 2.045 3.446 . 0 0 "[ . 1 . 2]" 1
162 1 12 LYS H 1 13 ALA H . . 4.720 4.520 4.284 4.600 . 0 0 "[ . 1 . 2]" 1
163 1 12 LYS HA 1 12 LYS HG3 . . 4.030 3.598 3.190 3.827 . 0 0 "[ . 1 . 2]" 1
164 1 12 LYS HA 1 13 ALA H . . 3.050 2.195 2.176 2.221 . 0 0 "[ . 1 . 2]" 1
165 1 12 LYS HA 1 13 ALA HA . . 4.420 4.364 4.352 4.401 . 0 0 "[ . 1 . 2]" 1
166 1 12 LYS HA 1 13 ALA MB . . 4.040 3.857 3.810 3.989 . 0 0 "[ . 1 . 2]" 1
167 1 12 LYS HA 1 20 THR HA . . 4.150 4.007 3.525 4.166 0.016 16 0 "[ . 1 . 2]" 1
168 1 12 LYS HA 1 21 THR H . . 5.170 5.048 4.630 5.185 0.015 15 0 "[ . 1 . 2]" 1
169 1 13 ALA H 1 13 ALA MB . . 3.030 2.221 2.042 2.392 . 0 0 "[ . 1 . 2]" 1
170 1 13 ALA H 1 14 GLU H . . 4.880 4.540 4.444 4.622 . 0 0 "[ . 1 . 2]" 1
171 1 13 ALA H 1 20 THR H . . 5.090 4.715 3.994 5.123 0.033 20 0 "[ . 1 . 2]" 1
172 1 13 ALA H 1 20 THR HA . . 3.620 3.471 2.950 3.610 . 0 0 "[ . 1 . 2]" 1
173 1 13 ALA H 1 20 THR HB . . 3.910 3.388 2.897 3.794 . 0 0 "[ . 1 . 2]" 1
174 1 13 ALA H 1 21 THR H . . 5.350 5.253 4.749 5.371 0.021 7 0 "[ . 1 . 2]" 1
175 1 13 ALA HA 1 14 GLU H . . 3.260 2.284 2.214 2.405 . 0 0 "[ . 1 . 2]" 1
176 1 13 ALA HA 1 14 GLU HA . . 4.670 4.412 4.364 4.472 . 0 0 "[ . 1 . 2]" 1
177 1 13 ALA HA 1 14 GLU HG3 . . 4.940 4.608 4.344 4.774 . 0 0 "[ . 1 . 2]" 1
178 1 13 ALA HA 1 15 LYS H . . 4.130 3.746 3.497 3.972 . 0 0 "[ . 1 . 2]" 1
179 1 13 ALA HA 1 19 LEU H . . 4.430 4.208 4.039 4.362 . 0 0 "[ . 1 . 2]" 1
180 1 13 ALA MB 1 14 GLU H . . 3.430 2.981 2.731 3.169 . 0 0 "[ . 1 . 2]" 1
181 1 13 ALA MB 1 14 GLU HA . . 3.930 3.870 3.740 3.979 0.049 10 0 "[ . 1 . 2]" 1
182 1 13 ALA MB 1 15 LYS H . . 3.510 3.239 3.050 3.361 . 0 0 "[ . 1 . 2]" 1
183 1 13 ALA MB 1 18 GLU H . . 4.050 4.005 3.908 4.086 0.036 11 0 "[ . 1 . 2]" 1
184 1 13 ALA MB 1 18 GLU HA . . 3.440 1.882 1.773 1.958 . 0 0 "[ . 1 . 2]" 1
185 1 13 ALA MB 1 19 LEU H . . 3.900 1.841 1.789 1.917 . 0 0 "[ . 1 . 2]" 1
186 1 13 ALA MB 1 20 THR H . . 3.630 3.324 2.563 3.696 0.066 13 0 "[ . 1 . 2]" 1
187 1 14 GLU H 1 14 GLU HG3 . . 3.490 2.829 2.503 3.113 . 0 0 "[ . 1 . 2]" 1
188 1 14 GLU H 1 15 LYS H . . 3.100 1.902 1.870 1.983 . 0 0 "[ . 1 . 2]" 1
189 1 14 GLU H 1 18 GLU H . . 4.910 4.823 4.679 4.906 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLU H 1 18 GLU HA . . 4.450 3.369 3.046 3.705 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLU HA 1 14 GLU HG3 . . 3.870 3.697 3.665 3.736 . 0 0 "[ . 1 . 2]" 1
192 1 14 GLU HA 1 18 GLU HA . . 4.590 4.406 4.213 4.653 0.063 12 0 "[ . 1 . 2]" 1
193 1 14 GLU HG3 1 15 LYS H . . 4.510 3.745 3.486 3.923 . 0 0 "[ . 1 . 2]" 1
194 1 14 GLU HG3 1 15 LYS HA . . 4.420 3.990 3.750 4.120 . 0 0 "[ . 1 . 2]" 1
195 1 15 LYS H 1 15 LYS HG3 . . 3.760 2.299 1.935 2.434 . 0 0 "[ . 1 . 2]" 1
196 1 15 LYS H 1 16 ALA H . . 4.810 4.441 4.375 4.504 . 0 0 "[ . 1 . 2]" 1
197 1 15 LYS H 1 17 ASP H . . 5.300 4.271 4.004 4.493 . 0 0 "[ . 1 . 2]" 1
198 1 15 LYS H 1 18 GLU H . . 3.550 3.102 2.993 3.246 . 0 0 "[ . 1 . 2]" 1
199 1 15 LYS H 1 18 GLU HA . . 4.020 2.572 2.432 2.846 . 0 0 "[ . 1 . 2]" 1
200 1 15 LYS HA 1 15 LYS HG3 . . 3.520 2.871 2.694 3.327 . 0 0 "[ . 1 . 2]" 1
201 1 15 LYS HA 1 16 ALA H . . 3.220 2.710 2.694 2.750 . 0 0 "[ . 1 . 2]" 1
202 1 15 LYS HA 1 16 ALA MB . . 4.570 4.269 4.223 4.299 . 0 0 "[ . 1 . 2]" 1
203 1 15 LYS HB3 1 16 ALA H . . 3.690 2.570 2.369 3.096 . 0 0 "[ . 1 . 2]" 1
204 1 15 LYS HB3 1 16 ALA MB . . 4.560 4.078 3.860 4.540 . 0 0 "[ . 1 . 2]" 1
205 1 15 LYS HB3 1 17 ASP H . . 5.280 3.740 3.417 4.433 . 0 0 "[ . 1 . 2]" 1
206 1 15 LYS HD3 1 16 ALA H . . 5.500 4.914 3.977 5.314 . 0 0 "[ . 1 . 2]" 1
207 1 15 LYS HD3 1 18 GLU HA . . 4.300 3.481 2.721 3.849 . 0 0 "[ . 1 . 2]" 1
208 1 15 LYS HG3 1 18 GLU HA . . 4.440 4.358 3.779 4.527 0.087 14 0 "[ . 1 . 2]" 1
209 1 16 ALA H 1 16 ALA MB . . 2.980 2.028 1.942 2.159 . 0 0 "[ . 1 . 2]" 1
210 1 16 ALA H 2 10 PRO HA . . 4.510 3.872 3.261 4.540 0.030 4 0 "[ . 1 . 2]" 1
211 1 16 ALA HA 1 17 ASP HA . . 4.860 4.540 4.490 4.622 . 0 0 "[ . 1 . 2]" 1
212 1 16 ALA HA 1 18 GLU H . . 3.760 3.692 3.502 3.792 0.032 19 0 "[ . 1 . 2]" 1
213 1 16 ALA MB 1 17 ASP H . . 3.350 2.873 2.579 3.048 . 0 0 "[ . 1 . 2]" 1
214 1 16 ALA MB 1 17 ASP HA . . 4.190 3.954 3.793 4.095 . 0 0 "[ . 1 . 2]" 1
215 1 16 ALA MB 1 18 GLU H . . 4.480 4.283 4.071 4.420 . 0 0 "[ . 1 . 2]" 1
216 1 17 ASP H 1 17 ASP HB3 . . 4.110 3.389 2.574 3.693 . 0 0 "[ . 1 . 2]" 1
217 1 17 ASP H 1 18 GLU H . . 3.290 2.477 2.248 2.689 . 0 0 "[ . 1 . 2]" 1
218 1 17 ASP HB3 1 51 LEU MD2 . . 4.310 3.336 2.512 4.455 0.145 10 0 "[ . 1 . 2]" 1
219 1 18 GLU H 1 19 LEU H . . 4.400 4.358 4.257 4.431 0.031 19 0 "[ . 1 . 2]" 1
220 1 18 GLU H 1 51 LEU MD2 . . 4.430 4.385 4.068 4.551 0.121 12 0 "[ . 1 . 2]" 1
221 1 18 GLU HA 1 51 LEU MD2 . . 4.320 3.604 3.352 3.899 . 0 0 "[ . 1 . 2]" 1
222 1 19 LEU H 1 19 LEU MD1 . . 4.660 4.392 4.078 4.692 0.032 19 0 "[ . 1 . 2]" 1
223 1 19 LEU H 1 19 LEU QD . . 4.010 3.735 3.333 3.935 . 0 0 "[ . 1 . 2]" 1
224 1 19 LEU H 1 19 LEU MD2 . . 4.660 4.064 3.485 4.380 . 0 0 "[ . 1 . 2]" 1
225 1 19 LEU H 1 51 LEU H . . 4.120 3.743 3.317 4.236 0.116 13 0 "[ . 1 . 2]" 1
226 1 19 LEU H 1 51 LEU MD2 . . 4.360 3.642 2.942 3.833 . 0 0 "[ . 1 . 2]" 1
227 1 19 LEU HA 1 19 LEU MD1 . . 4.170 2.606 1.895 3.194 . 0 0 "[ . 1 . 2]" 1
228 1 19 LEU HA 1 19 LEU QD . . 3.060 2.253 1.806 2.865 . 0 0 "[ . 1 . 2]" 1
229 1 19 LEU HA 1 19 LEU MD2 . . 4.170 3.097 1.859 4.010 . 0 0 "[ . 1 . 2]" 1
230 1 19 LEU HA 1 20 THR H . . 3.030 2.213 2.178 2.247 . 0 0 "[ . 1 . 2]" 1
231 1 19 LEU QD 1 20 THR H . . 3.410 3.157 2.645 3.465 0.055 20 0 "[ . 1 . 2]" 1
232 1 19 LEU QD 1 47 GLY QA . . 4.300 3.919 2.986 4.397 0.097 16 0 "[ . 1 . 2]" 1
233 1 19 LEU QD 1 48 GLY H . . 3.830 3.559 2.507 3.910 0.080 17 0 "[ . 1 . 2]" 1
234 1 19 LEU QD 1 48 GLY QA . . 3.290 2.915 1.913 3.318 0.028 13 0 "[ . 1 . 2]" 1
235 1 19 LEU QD 1 49 PRO HA . . 4.380 4.307 3.765 4.640 0.260 13 0 "[ . 1 . 2]" 1
236 1 19 LEU QD 1 50 GLY H . . 4.170 3.190 2.594 4.172 0.002 12 0 "[ . 1 . 2]" 1
237 1 19 LEU QD 1 50 GLY QA . . 4.110 1.849 1.577 2.515 . 0 0 "[ . 1 . 2]" 1
238 1 19 LEU QD 1 51 LEU H . . 4.130 2.959 1.888 3.825 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU MD1 1 49 PRO HA . . 5.500 5.048 4.571 5.647 0.147 14 0 "[ . 1 . 2]" 1
240 1 19 LEU MD1 1 50 GLY H . . 5.500 3.780 3.091 5.013 . 0 0 "[ . 1 . 2]" 1
241 1 19 LEU MD1 1 51 LEU H . . 5.040 4.029 3.385 4.839 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU MD2 1 49 PRO HA . . 5.500 4.879 3.827 5.509 0.009 9 0 "[ . 1 . 2]" 1
243 1 19 LEU MD2 1 50 GLY H . . 5.500 3.608 2.787 4.924 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU MD2 1 51 LEU H . . 5.040 3.134 1.894 4.717 . 0 0 "[ . 1 . 2]" 1
245 1 20 THR H 1 20 THR HB . . 3.090 2.486 1.960 2.672 . 0 0 "[ . 1 . 2]" 1
246 1 20 THR H 1 20 THR MG . . 3.410 2.184 1.939 3.139 . 0 0 "[ . 1 . 2]" 1
247 1 20 THR H 1 21 THR H . . 4.690 4.507 4.258 4.668 . 0 0 "[ . 1 . 2]" 1
248 1 20 THR HA 1 20 THR MG . . 3.520 3.217 3.011 3.240 . 0 0 "[ . 1 . 2]" 1
249 1 20 THR HA 1 21 THR H . . 3.480 2.217 2.150 2.332 . 0 0 "[ . 1 . 2]" 1
250 1 20 THR HA 1 21 THR HB . . 4.640 4.428 4.040 4.634 . 0 0 "[ . 1 . 2]" 1
251 1 20 THR HB 1 21 THR H . . 4.700 4.361 3.914 4.634 . 0 0 "[ . 1 . 2]" 1
252 1 20 THR MG 1 21 THR H . . 4.170 3.857 2.573 4.165 . 0 0 "[ . 1 . 2]" 1
253 1 21 THR H 1 21 THR HB . . 4.160 2.789 2.481 3.044 . 0 0 "[ . 1 . 2]" 1
254 1 21 THR H 1 21 THR MG . . 4.060 3.643 2.520 4.016 . 0 0 "[ . 1 . 2]" 1
255 1 21 THR HA 1 21 THR MG . . 3.310 2.511 2.189 3.156 . 0 0 "[ . 1 . 2]" 1
256 1 21 THR HA 1 22 TYR H . . 3.530 2.371 2.150 2.615 . 0 0 "[ . 1 . 2]" 1
257 1 21 THR HA 1 22 TYR QD . . 4.440 3.921 3.568 4.445 0.005 4 0 "[ . 1 . 2]" 1
258 1 21 THR HB 1 22 TYR H . . 5.160 3.994 3.328 4.497 . 0 0 "[ . 1 . 2]" 1
259 1 21 THR HB 1 27 LEU QD . . 4.330 4.010 3.351 4.345 0.015 10 0 "[ . 1 . 2]" 1
260 1 21 THR HB 1 52 VAL QG . . 4.180 3.529 2.927 4.078 . 0 0 "[ . 1 . 2]" 1
261 1 21 THR MG 1 22 TYR H . . 3.350 2.371 1.812 3.289 . 0 0 "[ . 1 . 2]" 1
262 1 21 THR MG 1 22 TYR QD . . 4.820 4.544 3.715 4.836 0.016 4 0 "[ . 1 . 2]" 1
263 1 22 TYR H 1 22 TYR QD . . 4.000 2.995 2.267 3.913 . 0 0 "[ . 1 . 2]" 1
264 1 22 TYR HA 1 22 TYR QD . . 3.680 2.761 2.157 3.016 . 0 0 "[ . 1 . 2]" 1
265 1 22 TYR HA 1 22 TYR QE . . 4.770 4.539 4.313 4.638 . 0 0 "[ . 1 . 2]" 1
266 1 22 TYR HA 1 23 VAL H . . 3.430 2.433 2.347 2.517 . 0 0 "[ . 1 . 2]" 1
267 1 22 TYR HA 1 23 VAL HA . . 4.390 4.282 4.277 4.287 . 0 0 "[ . 1 . 2]" 1
268 1 22 TYR HA 1 23 VAL MG1 . . 3.730 3.384 3.299 3.457 . 0 0 "[ . 1 . 2]" 1
269 1 22 TYR HA 1 23 VAL MG2 . . 4.580 4.477 4.345 4.615 0.035 13 0 "[ . 1 . 2]" 1
270 1 22 TYR HB3 1 23 VAL H . . 4.300 2.698 2.465 2.923 . 0 0 "[ . 1 . 2]" 1
271 1 22 TYR QD 1 23 VAL H . . 4.370 3.034 2.820 3.182 . 0 0 "[ . 1 . 2]" 1
272 1 22 TYR QD 1 23 VAL MG1 . . 3.940 3.781 3.531 3.939 . 0 0 "[ . 1 . 2]" 1
273 1 22 TYR QE 1 23 VAL MG1 . . 5.500 5.408 5.151 5.504 0.004 9 0 "[ . 1 . 2]" 1
274 1 23 VAL H 1 23 VAL HB . . 3.610 3.496 3.489 3.517 . 0 0 "[ . 1 . 2]" 1
275 1 23 VAL H 1 23 VAL MG1 . . 3.050 1.894 1.863 1.943 . 0 0 "[ . 1 . 2]" 1
276 1 23 VAL H 1 23 VAL MG2 . . 3.260 2.420 2.286 2.462 . 0 0 "[ . 1 . 2]" 1
277 1 23 VAL HA 1 23 VAL MG1 . . 3.120 2.491 2.456 2.525 . 0 0 "[ . 1 . 2]" 1
278 1 23 VAL HA 1 23 VAL MG2 . . 3.380 3.193 3.182 3.205 . 0 0 "[ . 1 . 2]" 1
279 1 23 VAL HA 1 24 GLY H . . 3.500 2.396 2.305 2.415 . 0 0 "[ . 1 . 2]" 1
280 1 23 VAL HA 1 24 GLY HA2 . . 4.540 4.476 4.433 4.503 . 0 0 "[ . 1 . 2]" 1
281 1 23 VAL HA 1 24 GLY HA3 . . 4.640 4.592 4.532 4.607 . 0 0 "[ . 1 . 2]" 1
282 1 23 VAL HA 1 25 GLU H . . 4.730 4.140 3.691 4.424 . 0 0 "[ . 1 . 2]" 1
283 1 23 VAL HB 1 24 GLY HA2 . . 5.050 4.789 4.749 4.870 . 0 0 "[ . 1 . 2]" 1
284 1 23 VAL HB 1 24 GLY HA3 . . 4.670 4.514 4.452 4.594 . 0 0 "[ . 1 . 2]" 1
285 1 23 VAL MG1 1 24 GLY H . . 4.090 4.071 4.047 4.106 0.016 4 0 "[ . 1 . 2]" 1
286 1 23 VAL MG2 1 24 GLY H . . 3.630 3.203 3.074 3.533 . 0 0 "[ . 1 . 2]" 1
287 1 23 VAL MG2 1 24 GLY HA3 . . 3.980 3.277 3.175 3.552 . 0 0 "[ . 1 . 2]" 1
288 1 24 GLY H 1 25 GLU H . . 4.070 3.082 2.842 3.316 . 0 0 "[ . 1 . 2]" 1
289 1 25 GLU H 1 26 ASN H . . 4.530 4.463 4.373 4.532 0.002 15 0 "[ . 1 . 2]" 1
290 1 25 GLU H 1 27 LEU QD . . 4.750 4.218 3.711 4.750 0.000 6 0 "[ . 1 . 2]" 1
291 1 25 GLU HA 1 26 ASN H . . 3.600 2.570 2.433 2.768 . 0 0 "[ . 1 . 2]" 1
292 1 25 GLU HB3 1 26 ASN H . . 4.270 2.950 2.411 3.458 . 0 0 "[ . 1 . 2]" 1
293 1 25 GLU HB3 1 27 LEU QD . . 4.070 2.980 2.455 3.539 . 0 0 "[ . 1 . 2]" 1
294 1 26 ASN HA 1 27 LEU QD . . 5.440 2.755 2.309 3.248 . 0 0 "[ . 1 . 2]" 1
295 1 26 ASN HD21 1 27 LEU QD . . 4.780 4.525 4.036 4.842 0.062 17 0 "[ . 1 . 2]" 1
296 1 27 LEU HA 1 27 LEU MD1 . . 4.130 3.745 3.081 4.132 0.002 7 0 "[ . 1 . 2]" 1
297 1 27 LEU HA 1 27 LEU QD . . 3.410 3.200 2.868 3.381 . 0 0 "[ . 1 . 2]" 1
298 1 27 LEU HA 1 27 LEU MD2 . . 4.130 3.585 3.314 4.096 . 0 0 "[ . 1 . 2]" 1
299 1 27 LEU HA 1 40 ALA MB . . 4.040 3.890 3.300 4.095 0.055 11 0 "[ . 1 . 2]" 1
300 1 27 LEU QD 1 29 ILE MD . . 3.790 2.894 2.043 3.800 0.010 18 0 "[ . 1 . 2]" 1
301 1 27 LEU QD 1 40 ALA H . . 4.650 4.213 3.693 4.680 0.030 11 0 "[ . 1 . 2]" 1
302 1 27 LEU QD 1 40 ALA HA . . 5.440 4.710 4.129 5.290 . 0 0 "[ . 1 . 2]" 1
303 1 27 LEU QD 1 40 ALA MB . . 2.940 2.268 1.944 2.859 . 0 0 "[ . 1 . 2]" 1
304 1 27 LEU QD 1 52 VAL HB . . 3.930 2.871 2.275 3.791 . 0 0 "[ . 1 . 2]" 1
305 1 27 LEU QD 1 52 VAL QG . . 2.640 1.762 1.501 2.206 . 0 0 "[ . 1 . 2]" 1
306 1 27 LEU QD 1 57 VAL HB . . 3.290 2.783 2.202 3.086 . 0 0 "[ . 1 . 2]" 1
307 1 27 LEU MD1 1 29 ILE MD . . 4.440 3.563 2.570 4.610 0.170 17 0 "[ . 1 . 2]" 1
308 1 27 LEU MD1 1 57 VAL HB . . 4.020 3.209 2.491 3.867 . 0 0 "[ . 1 . 2]" 1
309 1 27 LEU MD2 1 29 ILE MD . . 4.440 3.664 2.047 4.476 0.036 10 0 "[ . 1 . 2]" 1
310 1 27 LEU MD2 1 57 VAL HB . . 4.020 3.246 2.281 4.050 0.030 12 0 "[ . 1 . 2]" 1
311 1 29 ILE MD 1 40 ALA H . . 5.060 4.312 3.058 5.185 0.125 16 0 "[ . 1 . 2]" 1
312 1 29 ILE MD 1 40 ALA HA . . 5.030 3.916 2.955 5.127 0.097 16 0 "[ . 1 . 2]" 1
313 1 29 ILE MD 1 40 ALA MB . . 3.530 2.242 1.705 3.321 . 0 0 "[ . 1 . 2]" 1
314 1 29 ILE MD 1 52 VAL MG1 . . 4.760 4.176 2.378 4.931 0.171 9 0 "[ . 1 . 2]" 1
315 1 29 ILE MD 1 52 VAL QG . . 3.920 2.790 2.286 3.169 . 0 0 "[ . 1 . 2]" 1
316 1 29 ILE MD 1 52 VAL MG2 . . 4.760 3.314 2.294 4.879 0.119 16 0 "[ . 1 . 2]" 1
317 1 29 ILE MD 1 57 VAL MG1 . . 4.320 4.175 3.751 4.385 0.065 17 0 "[ . 1 . 2]" 1
318 1 29 ILE MD 1 57 VAL MG2 . . 3.850 2.919 2.225 3.400 . 0 0 "[ . 1 . 2]" 1
319 1 29 ILE MD 1 59 ILE MD . . 3.970 2.681 1.723 3.727 . 0 0 "[ . 1 . 2]" 1
320 1 29 ILE MG 1 31 ALA H . . 4.100 2.925 2.456 3.073 . 0 0 "[ . 1 . 2]" 1
321 1 29 ILE MG 1 39 ILE H . . 3.900 3.371 2.908 3.782 . 0 0 "[ . 1 . 2]" 1
322 1 29 ILE MG 1 59 ILE MD . . 4.070 3.435 2.871 3.839 . 0 0 "[ . 1 . 2]" 1
323 1 29 ILE MG 1 81 LEU MD1 . . 4.030 3.577 3.033 4.060 0.030 6 0 "[ . 1 . 2]" 1
324 1 29 ILE MG 1 81 LEU MD2 . . 4.030 3.175 2.527 4.043 0.013 18 0 "[ . 1 . 2]" 1
325 1 30 CYS H 1 31 ALA H . . 4.040 1.827 1.730 1.952 . 0 0 "[ . 1 . 2]" 1
326 1 31 ALA H 1 31 ALA MB . . 3.530 2.366 2.233 2.497 . 0 0 "[ . 1 . 2]" 1
327 1 31 ALA H 1 38 PHE HA . . 5.190 4.712 4.475 4.968 . 0 0 "[ . 1 . 2]" 1
328 1 31 ALA H 1 39 ILE H . . 3.770 2.784 2.450 3.268 . 0 0 "[ . 1 . 2]" 1
329 1 31 ALA H 1 39 ILE HA . . 4.770 4.321 4.053 4.895 0.125 19 0 "[ . 1 . 2]" 1
330 1 31 ALA H 1 39 ILE HB . . 4.380 2.563 2.126 3.712 . 0 0 "[ . 1 . 2]" 1
331 1 31 ALA H 1 39 ILE MD . . 5.090 4.710 4.206 5.173 0.083 6 0 "[ . 1 . 2]" 1
332 1 31 ALA H 1 39 ILE MG . . 4.380 3.148 2.180 3.890 . 0 0 "[ . 1 . 2]" 1
333 1 31 ALA HA 1 32 HIS H . . 3.280 2.485 2.334 2.591 . 0 0 "[ . 1 . 2]" 1
334 1 31 ALA HA 1 39 ILE MG . . 5.500 4.835 4.016 5.426 . 0 0 "[ . 1 . 2]" 1
335 1 31 ALA HA 1 81 LEU MD1 . . 4.340 3.089 2.067 3.466 . 0 0 "[ . 1 . 2]" 1
336 1 31 ALA HA 1 81 LEU QD . . 3.690 2.978 2.061 3.320 . 0 0 "[ . 1 . 2]" 1
337 1 31 ALA HA 1 81 LEU MD2 . . 4.340 4.043 3.460 4.336 . 0 0 "[ . 1 . 2]" 1
338 1 31 ALA MB 1 32 HIS H . . 3.110 2.612 2.461 2.814 . 0 0 "[ . 1 . 2]" 1
339 1 31 ALA MB 1 32 HIS HA . . 4.420 3.795 3.755 3.857 . 0 0 "[ . 1 . 2]" 1
340 1 31 ALA MB 1 38 PHE HA . . 4.300 4.311 4.225 4.389 0.089 11 0 "[ . 1 . 2]" 1
341 1 31 ALA MB 1 39 ILE H . . 3.420 2.901 2.759 3.127 . 0 0 "[ . 1 . 2]" 1
342 1 31 ALA MB 1 39 ILE HA . . 4.290 4.202 3.949 4.284 . 0 0 "[ . 1 . 2]" 1
343 1 31 ALA MB 1 39 ILE HB . . 3.910 1.805 1.737 1.902 . 0 0 "[ . 1 . 2]" 1
344 1 31 ALA MB 1 39 ILE MD . . 3.570 3.279 2.687 3.600 0.030 15 0 "[ . 1 . 2]" 1
345 1 31 ALA MB 1 39 ILE MG . . 4.030 2.458 1.863 2.999 . 0 0 "[ . 1 . 2]" 1
346 1 31 ALA MB 1 84 VAL HA . . 3.250 2.151 1.968 2.577 . 0 0 "[ . 1 . 2]" 1
347 1 31 ALA MB 1 84 VAL HB . . 3.950 2.372 1.849 3.346 . 0 0 "[ . 1 . 2]" 1
348 1 31 ALA MB 1 87 TRP H . . 4.910 4.883 4.664 5.002 0.092 12 0 "[ . 1 . 2]" 1
349 1 31 ALA MB 1 87 TRP HB3 . . 4.150 3.773 3.493 4.005 . 0 0 "[ . 1 . 2]" 1
350 1 31 ALA MB 1 88 LYS H . . 4.360 4.351 4.216 4.406 0.046 16 0 "[ . 1 . 2]" 1
351 1 31 ALA MB 1 88 LYS HG3 . . 4.680 3.439 3.186 4.923 0.243 18 0 "[ . 1 . 2]" 1
352 1 32 HIS H 1 32 HIS HD2 . . 3.870 3.343 2.580 3.898 0.028 11 0 "[ . 1 . 2]" 1
353 1 32 HIS H 1 38 PHE QD . . 4.970 4.845 4.717 4.995 0.025 15 0 "[ . 1 . 2]" 1
354 1 32 HIS H 1 81 LEU MD1 . . 4.440 4.043 3.071 4.442 0.002 3 0 "[ . 1 . 2]" 1
355 1 32 HIS H 1 81 LEU MD2 . . 4.440 4.086 3.607 4.475 0.035 6 0 "[ . 1 . 2]" 1
356 1 32 HIS H 1 83 THR HA . . 3.480 3.359 2.894 3.554 0.074 8 0 "[ . 1 . 2]" 1
357 1 32 HIS H 1 83 THR MG . . 4.360 4.061 3.721 4.392 0.032 18 0 "[ . 1 . 2]" 1
358 1 32 HIS H 1 84 VAL H . . 3.890 3.269 2.579 4.003 0.113 18 0 "[ . 1 . 2]" 1
359 1 32 HIS H 1 84 VAL HA . . 4.120 3.195 2.722 3.753 . 0 0 "[ . 1 . 2]" 1
360 1 32 HIS H 1 84 VAL QG . . 4.280 3.265 1.878 3.982 . 0 0 "[ . 1 . 2]" 1
361 1 32 HIS HA 1 33 HIS H . . 3.480 2.325 2.231 2.495 . 0 0 "[ . 1 . 2]" 1
362 1 32 HIS HA 1 33 HIS HA . . 4.720 4.440 4.402 4.490 . 0 0 "[ . 1 . 2]" 1
363 1 32 HIS HA 1 33 HIS HD2 . . 4.170 2.445 2.110 3.415 . 0 0 "[ . 1 . 2]" 1
364 1 32 HIS HA 1 37 TRP H . . 5.330 4.905 4.433 5.146 . 0 0 "[ . 1 . 2]" 1
365 1 32 HIS HA 1 38 PHE HA . . 3.740 1.994 1.908 2.125 . 0 0 "[ . 1 . 2]" 1
366 1 32 HIS HA 1 38 PHE QD . . 4.150 2.140 1.982 2.336 . 0 0 "[ . 1 . 2]" 1
367 1 32 HIS HA 1 39 ILE H . . 3.550 3.071 2.897 3.294 . 0 0 "[ . 1 . 2]" 1
368 1 32 HIS HA 1 39 ILE HB . . 5.500 4.795 4.388 5.249 . 0 0 "[ . 1 . 2]" 1
369 1 32 HIS HA 1 81 LEU QD . . 4.580 4.295 4.009 4.587 0.007 7 0 "[ . 1 . 2]" 1
370 1 32 HIS HA 1 84 VAL QG . . 5.440 4.175 3.083 4.559 . 0 0 "[ . 1 . 2]" 1
371 1 32 HIS HD2 1 76 ILE MG . . 4.130 3.724 2.986 4.156 0.026 7 0 "[ . 1 . 2]" 1
372 1 32 HIS HD2 1 81 LEU QD . . 4.190 2.198 1.794 2.696 . 0 0 "[ . 1 . 2]" 1
373 1 32 HIS HD2 1 83 THR MG . . 4.410 4.247 3.537 4.435 0.025 8 0 "[ . 1 . 2]" 1
374 1 32 HIS HE1 1 34 ASN H . . 4.780 4.682 4.058 4.826 0.046 1 0 "[ . 1 . 2]" 1
375 1 32 HIS HE1 1 35 CYS H . . 3.960 3.221 2.888 3.442 . 0 0 "[ . 1 . 2]" 1
376 1 32 HIS HE1 1 35 CYS HA . . 4.270 3.639 2.979 4.282 0.012 16 0 "[ . 1 . 2]" 1
377 1 32 HIS HE1 1 76 ILE MD . . 4.600 3.963 2.891 4.582 . 0 0 "[ . 1 . 2]" 1
378 1 32 HIS HE1 1 76 ILE MG . . 3.880 2.590 1.989 3.279 . 0 0 "[ . 1 . 2]" 1
379 1 32 HIS HE1 1 83 THR MG . . 4.550 4.028 3.316 4.569 0.019 18 0 "[ . 1 . 2]" 1
380 1 32 HIS HE2 1 76 ILE MG . . 4.270 2.684 2.211 3.509 . 0 0 "[ . 1 . 2]" 1
381 1 32 HIS HE2 1 83 THR MG . . 4.130 3.946 3.390 4.158 0.028 16 0 "[ . 1 . 2]" 1
382 1 33 HIS H 1 33 HIS HD2 . . 4.380 2.546 1.931 3.585 . 0 0 "[ . 1 . 2]" 1
383 1 33 HIS H 1 35 CYS H . . 4.320 3.533 3.448 3.768 . 0 0 "[ . 1 . 2]" 1
384 1 33 HIS H 1 37 TRP H . . 3.860 3.057 2.400 3.353 . 0 0 "[ . 1 . 2]" 1
385 1 33 HIS H 1 38 PHE QD . . 4.250 2.778 2.505 3.274 . 0 0 "[ . 1 . 2]" 1
386 1 33 HIS H 1 84 VAL QG . . 4.630 4.258 3.529 4.655 0.025 5 0 "[ . 1 . 2]" 1
387 1 33 HIS HA 1 34 ASN H . . 3.220 2.263 2.187 2.335 . 0 0 "[ . 1 . 2]" 1
388 1 33 HIS HA 1 34 ASN HA . . 4.510 4.334 4.297 4.397 . 0 0 "[ . 1 . 2]" 1
389 1 33 HIS HA 1 35 CYS H . . 4.300 3.297 3.057 3.869 . 0 0 "[ . 1 . 2]" 1
390 1 33 HIS HA 1 83 THR MG . . 3.840 2.169 1.860 2.735 . 0 0 "[ . 1 . 2]" 1
391 1 33 HIS HA 1 84 VAL H . . 4.030 3.647 3.225 4.092 0.062 16 0 "[ . 1 . 2]" 1
392 1 33 HIS HA 1 84 VAL QG . . 3.830 3.540 3.022 3.846 0.016 19 0 "[ . 1 . 2]" 1
393 1 33 HIS HB3 1 34 ASN H . . 4.310 3.733 3.473 3.880 . 0 0 "[ . 1 . 2]" 1
394 1 33 HIS HB3 1 83 THR MG . . 4.650 2.752 2.232 3.699 . 0 0 "[ . 1 . 2]" 1
395 1 33 HIS HE1 1 84 VAL MG1 . . 5.010 3.998 1.961 4.718 . 0 0 "[ . 1 . 2]" 1
396 1 33 HIS HE1 1 84 VAL QG . . 4.210 3.685 1.884 4.220 0.010 4 0 "[ . 1 . 2]" 1
397 1 33 HIS HE1 1 84 VAL MG2 . . 5.010 4.367 2.074 5.053 0.043 17 0 "[ . 1 . 2]" 1
398 1 33 HIS HE1 2 9 ILE MD . . 4.830 4.132 2.585 4.872 0.042 18 0 "[ . 1 . 2]" 1
399 1 33 HIS HE1 2 9 ILE MG . . 4.660 4.615 3.978 4.776 0.116 4 0 "[ . 1 . 2]" 1
400 1 34 ASN H 1 35 CYS H . . 3.940 2.752 2.640 2.818 . 0 0 "[ . 1 . 2]" 1
401 1 34 ASN H 1 83 THR MG . . 4.370 3.149 2.743 3.784 . 0 0 "[ . 1 . 2]" 1
402 1 34 ASN H 1 84 VAL QG . . 5.230 4.987 4.717 5.336 0.106 9 0 "[ . 1 . 2]" 1
403 1 34 ASN HA 1 34 ASN HD21 . . 4.700 4.227 2.077 4.457 . 0 0 "[ . 1 . 2]" 1
404 1 34 ASN HA 1 34 ASN QD . . 4.070 3.867 2.055 4.063 . 0 0 "[ . 1 . 2]" 1
405 1 34 ASN HA 1 34 ASN HD22 . . 4.700 4.513 3.272 4.687 . 0 0 "[ . 1 . 2]" 1
406 1 34 ASN HA 1 83 THR MG . . 5.310 4.777 4.372 5.356 0.046 11 0 "[ . 1 . 2]" 1
407 1 34 ASN HB3 1 34 ASN HD22 . . 4.000 3.617 3.453 3.877 . 0 0 "[ . 1 . 2]" 1
408 1 35 CYS H 1 36 GLU H . . 3.710 2.858 2.821 2.906 . 0 0 "[ . 1 . 2]" 1
409 1 35 CYS H 1 76 ILE MD . . 4.810 4.524 3.819 4.819 0.009 20 0 "[ . 1 . 2]" 1
410 1 35 CYS HA 1 37 TRP H . . 4.560 4.420 4.274 4.554 . 0 0 "[ . 1 . 2]" 1
411 1 35 CYS HA 1 73 ILE MG . . 5.120 4.915 4.327 5.136 0.016 17 0 "[ . 1 . 2]" 1
412 1 35 CYS HA 1 76 ILE MD . . 3.610 2.812 2.055 3.147 . 0 0 "[ . 1 . 2]" 1
413 1 36 GLU H 1 36 GLU HG3 . . 4.860 4.543 4.445 4.664 . 0 0 "[ . 1 . 2]" 1
414 1 36 GLU H 1 37 TRP H . . 3.110 1.843 1.762 1.919 . 0 0 "[ . 1 . 2]" 1
415 1 36 GLU H 1 37 TRP HD1 . . 4.560 4.500 4.248 4.627 0.067 14 0 "[ . 1 . 2]" 1
416 1 36 GLU HA 1 36 GLU HG3 . . 3.660 2.438 2.330 2.774 . 0 0 "[ . 1 . 2]" 1
417 1 36 GLU HA 1 54 VAL H . . 4.080 3.494 3.271 3.731 . 0 0 "[ . 1 . 2]" 1
418 1 36 GLU HA 1 54 VAL HB . . 4.720 4.669 4.533 4.775 0.055 7 0 "[ . 1 . 2]" 1
419 1 36 GLU HA 1 54 VAL MG1 . . 3.930 1.919 1.864 1.960 . 0 0 "[ . 1 . 2]" 1
420 1 36 GLU HA 1 54 VAL MG2 . . 3.930 3.119 2.749 3.382 . 0 0 "[ . 1 . 2]" 1
421 1 36 GLU HG3 1 53 PRO HB3 . . 4.630 4.014 3.561 4.246 . 0 0 "[ . 1 . 2]" 1
422 1 36 GLU HG3 1 54 VAL MG1 . . 4.090 3.087 2.548 3.692 . 0 0 "[ . 1 . 2]" 1
423 1 36 GLU HG3 2 14 ALA MB . . 3.550 3.057 2.571 3.494 . 0 0 "[ . 1 . 2]" 1
424 1 37 TRP H 1 37 TRP HB3 . . 3.850 3.640 3.590 3.703 . 0 0 "[ . 1 . 2]" 1
425 1 37 TRP H 1 37 TRP HD1 . . 3.890 3.311 3.120 3.439 . 0 0 "[ . 1 . 2]" 1
426 1 37 TRP H 1 38 PHE H . . 4.460 4.434 4.378 4.508 0.048 11 0 "[ . 1 . 2]" 1
427 1 37 TRP H 1 38 PHE QD . . 4.150 4.079 3.846 4.302 0.152 16 0 "[ . 1 . 2]" 1
428 1 37 TRP H 1 38 PHE QE . . 4.500 4.251 4.072 4.524 0.024 16 0 "[ . 1 . 2]" 1
429 1 37 TRP H 1 51 LEU MD1 . . 4.890 4.804 4.705 4.950 0.060 12 0 "[ . 1 . 2]" 1
430 1 37 TRP H 1 54 VAL MG1 . . 4.030 3.939 3.747 4.033 0.003 11 0 "[ . 1 . 2]" 1
431 1 37 TRP HA 1 37 TRP HD1 . . 4.580 4.221 4.134 4.289 . 0 0 "[ . 1 . 2]" 1
432 1 37 TRP HA 1 38 PHE H . . 3.400 2.236 2.214 2.323 . 0 0 "[ . 1 . 2]" 1
433 1 37 TRP HA 1 51 LEU MD1 . . 4.000 3.426 3.276 3.579 . 0 0 "[ . 1 . 2]" 1
434 1 37 TRP HA 1 51 LEU MD2 . . 5.100 4.826 4.700 5.062 . 0 0 "[ . 1 . 2]" 1
435 1 37 TRP HA 1 52 VAL H . . 4.510 4.325 4.225 4.383 . 0 0 "[ . 1 . 2]" 1
436 1 37 TRP HA 1 53 PRO HA . . 3.710 2.251 2.080 2.430 . 0 0 "[ . 1 . 2]" 1
437 1 37 TRP HA 1 54 VAL H . . 4.010 4.076 3.978 4.163 0.153 19 0 "[ . 1 . 2]" 1
438 1 37 TRP HA 1 54 VAL MG1 . . 4.190 3.663 3.543 3.752 . 0 0 "[ . 1 . 2]" 1
439 1 37 TRP HB3 1 38 PHE H . . 3.610 3.287 2.913 3.433 . 0 0 "[ . 1 . 2]" 1
440 1 37 TRP HB3 1 39 ILE MD . . 4.670 3.484 3.161 4.052 . 0 0 "[ . 1 . 2]" 1
441 1 37 TRP HB3 1 51 LEU MD1 . . 3.500 1.798 1.746 1.901 . 0 0 "[ . 1 . 2]" 1
442 1 37 TRP HB3 1 51 LEU MD2 . . 4.190 3.816 3.646 4.009 . 0 0 "[ . 1 . 2]" 1
443 1 37 TRP HB3 1 52 VAL H . . 4.770 4.391 4.134 4.495 . 0 0 "[ . 1 . 2]" 1
444 1 37 TRP HB3 1 53 PRO HA . . 4.730 4.541 4.345 4.720 . 0 0 "[ . 1 . 2]" 1
445 1 37 TRP HD1 2 14 ALA MB . . 4.800 4.828 4.789 4.885 0.085 10 0 "[ . 1 . 2]" 1
446 1 37 TRP HE1 2 10 PRO HG3 . . 5.130 4.435 3.443 4.931 . 0 0 "[ . 1 . 2]" 1
447 1 37 TRP HE1 2 13 PRO HA . . 3.980 2.912 2.467 3.446 . 0 0 "[ . 1 . 2]" 1
448 1 37 TRP HE1 2 14 ALA H . . 3.920 3.612 2.965 3.947 0.027 19 0 "[ . 1 . 2]" 1
449 1 37 TRP HE1 2 14 ALA HA . . 4.080 3.036 2.601 3.318 . 0 0 "[ . 1 . 2]" 1
450 1 37 TRP HE1 2 14 ALA MB . . 3.660 3.576 3.355 3.703 0.043 12 0 "[ . 1 . 2]" 1
451 1 37 TRP HE3 1 38 PHE H . . 3.930 3.396 3.074 3.606 . 0 0 "[ . 1 . 2]" 1
452 1 37 TRP HE3 1 51 LEU MD1 . . 3.910 2.064 1.935 2.274 . 0 0 "[ . 1 . 2]" 1
453 1 37 TRP HE3 1 51 LEU MD2 . . 3.780 2.451 2.315 2.661 . 0 0 "[ . 1 . 2]" 1
454 1 37 TRP HE3 1 52 VAL H . . 3.940 3.397 3.127 3.682 . 0 0 "[ . 1 . 2]" 1
455 1 37 TRP HE3 1 52 VAL HA . . 4.480 3.835 3.691 4.019 . 0 0 "[ . 1 . 2]" 1
456 1 37 TRP HE3 1 53 PRO HA . . 4.290 3.507 3.292 3.671 . 0 0 "[ . 1 . 2]" 1
457 1 37 TRP HZ2 2 14 ALA HA . . 4.120 2.461 2.125 3.061 . 0 0 "[ . 1 . 2]" 1
458 1 38 PHE H 1 38 PHE HB3 . . 3.650 3.651 3.584 3.687 0.037 10 0 "[ . 1 . 2]" 1
459 1 38 PHE H 1 38 PHE QD . . 4.210 3.466 3.290 3.642 . 0 0 "[ . 1 . 2]" 1
460 1 38 PHE H 1 39 ILE H . . 4.670 4.408 4.304 4.525 . 0 0 "[ . 1 . 2]" 1
461 1 38 PHE H 1 51 LEU HA . . 4.860 4.541 4.166 4.691 . 0 0 "[ . 1 . 2]" 1
462 1 38 PHE H 1 51 LEU MD1 . . 4.070 3.271 3.008 3.471 . 0 0 "[ . 1 . 2]" 1
463 1 38 PHE H 1 51 LEU MD2 . . 5.120 5.001 4.727 5.108 . 0 0 "[ . 1 . 2]" 1
464 1 38 PHE H 1 51 LEU HG . . 4.170 3.772 3.395 3.955 . 0 0 "[ . 1 . 2]" 1
465 1 38 PHE H 1 52 VAL H . . 3.670 2.691 2.389 2.832 . 0 0 "[ . 1 . 2]" 1
466 1 38 PHE H 1 52 VAL HB . . 5.180 4.810 4.636 5.076 . 0 0 "[ . 1 . 2]" 1
467 1 38 PHE H 1 52 VAL QG . . 3.840 3.552 3.308 3.801 . 0 0 "[ . 1 . 2]" 1
468 1 38 PHE H 1 53 PRO HA . . 3.810 2.994 2.829 3.261 . 0 0 "[ . 1 . 2]" 1
469 1 38 PHE H 1 53 PRO HD3 . . 5.130 5.012 4.897 5.120 . 0 0 "[ . 1 . 2]" 1
470 1 38 PHE H 1 54 VAL MG1 . . 4.190 4.052 3.918 4.284 0.094 16 0 "[ . 1 . 2]" 1
471 1 38 PHE HA 1 38 PHE QD . . 4.260 1.959 1.913 2.050 . 0 0 "[ . 1 . 2]" 1
472 1 38 PHE HB3 1 39 ILE H . . 3.970 3.245 2.717 3.499 . 0 0 "[ . 1 . 2]" 1
473 1 38 PHE HB3 1 39 ILE MD . . 5.500 5.065 4.438 5.553 0.053 18 0 "[ . 1 . 2]" 1
474 1 38 PHE HB3 1 40 ALA H . . 5.170 4.762 4.296 5.208 0.038 14 0 "[ . 1 . 2]" 1
475 1 38 PHE HB3 1 40 ALA MB . . 4.430 3.912 3.673 4.197 . 0 0 "[ . 1 . 2]" 1
476 1 38 PHE HB3 1 52 VAL HB . . 5.500 5.514 5.237 5.613 0.113 12 0 "[ . 1 . 2]" 1
477 1 38 PHE HB3 1 52 VAL QG . . 3.930 3.551 3.132 3.949 0.019 17 0 "[ . 1 . 2]" 1
478 1 38 PHE QD 1 39 ILE H . . 4.030 3.978 3.862 4.076 0.046 10 0 "[ . 1 . 2]" 1
479 1 38 PHE QD 1 52 VAL QG . . 4.370 3.914 2.922 4.333 . 0 0 "[ . 1 . 2]" 1
480 1 38 PHE QD 1 54 VAL HA . . 4.030 3.656 3.252 4.042 0.012 12 0 "[ . 1 . 2]" 1
481 1 38 PHE QD 1 57 VAL MG2 . . 3.740 2.868 2.326 3.131 . 0 0 "[ . 1 . 2]" 1
482 1 38 PHE QE 1 72 VAL MG1 . . 4.090 3.679 2.803 4.086 . 0 0 "[ . 1 . 2]" 1
483 1 38 PHE QE 1 72 VAL QG . . 3.310 1.878 1.755 1.943 . 0 0 "[ . 1 . 2]" 1
484 1 38 PHE QE 1 72 VAL MG2 . . 4.090 1.884 1.774 1.957 . 0 0 "[ . 1 . 2]" 1
485 1 38 PHE QE 1 76 ILE MD . . 3.670 2.554 2.047 2.767 . 0 0 "[ . 1 . 2]" 1
486 1 38 PHE HZ 1 54 VAL HA . . 5.140 5.155 4.558 5.332 0.192 14 0 "[ . 1 . 2]" 1
487 1 38 PHE HZ 1 54 VAL MG1 . . 4.340 2.122 2.078 2.192 . 0 0 "[ . 1 . 2]" 1
488 1 38 PHE HZ 1 54 VAL MG2 . . 4.010 3.877 3.700 4.030 0.020 9 0 "[ . 1 . 2]" 1
489 1 38 PHE HZ 1 72 VAL QG . . 3.960 1.986 1.787 2.338 . 0 0 "[ . 1 . 2]" 1
490 1 38 PHE HZ 1 73 ILE H . . 5.330 5.071 4.661 5.345 0.015 18 0 "[ . 1 . 2]" 1
491 1 38 PHE HZ 1 76 ILE MD . . 3.630 2.387 2.027 2.899 . 0 0 "[ . 1 . 2]" 1
492 1 39 ILE H 1 39 ILE HB . . 3.520 2.401 2.112 2.676 . 0 0 "[ . 1 . 2]" 1
493 1 39 ILE H 1 39 ILE MD . . 3.950 2.970 2.229 3.863 . 0 0 "[ . 1 . 2]" 1
494 1 39 ILE H 1 39 ILE MG . . 4.280 3.643 3.338 3.858 . 0 0 "[ . 1 . 2]" 1
495 1 39 ILE HA 1 39 ILE MD . . 3.640 2.232 1.921 2.436 . 0 0 "[ . 1 . 2]" 1
496 1 39 ILE HA 1 40 ALA H . . 3.570 2.218 2.182 2.270 . 0 0 "[ . 1 . 2]" 1
497 1 39 ILE HA 1 40 ALA HA . . 4.600 4.390 4.372 4.422 . 0 0 "[ . 1 . 2]" 1
498 1 39 ILE HA 1 40 ALA MB . . 4.050 4.025 3.924 4.095 0.045 13 0 "[ . 1 . 2]" 1
499 1 39 ILE HA 1 51 LEU HA . . 4.470 2.172 2.002 2.277 . 0 0 "[ . 1 . 2]" 1
500 1 39 ILE HA 1 51 LEU MD1 . . 4.220 3.878 3.602 4.136 . 0 0 "[ . 1 . 2]" 1
501 1 39 ILE HA 1 52 VAL H . . 4.110 3.481 3.195 3.673 . 0 0 "[ . 1 . 2]" 1
502 1 39 ILE HA 1 52 VAL QG . . 4.890 3.776 3.022 4.941 0.051 13 0 "[ . 1 . 2]" 1
503 1 39 ILE HB 1 39 ILE MD . . 3.400 2.831 2.235 3.208 . 0 0 "[ . 1 . 2]" 1
504 1 39 ILE HB 1 40 ALA H . . 4.790 4.549 4.403 4.703 . 0 0 "[ . 1 . 2]" 1
505 1 39 ILE MD 1 39 ILE MG . . 3.290 2.542 1.849 3.270 . 0 0 "[ . 1 . 2]" 1
506 1 39 ILE MD 1 40 ALA H . . 4.530 4.061 3.748 4.346 . 0 0 "[ . 1 . 2]" 1
507 1 39 ILE MD 1 51 LEU H . . 4.880 4.312 3.944 4.894 0.014 17 0 "[ . 1 . 2]" 1
508 1 39 ILE MD 1 51 LEU HA . . 4.110 2.472 1.984 3.113 . 0 0 "[ . 1 . 2]" 1
509 1 39 ILE MD 1 51 LEU MD2 . . 4.180 3.923 3.684 4.202 0.022 18 0 "[ . 1 . 2]" 1
510 1 39 ILE MD 1 84 VAL HB . . 4.710 4.043 3.033 4.525 . 0 0 "[ . 1 . 2]" 1
511 1 39 ILE MD 1 84 VAL MG1 . . 4.160 3.743 2.462 4.211 0.051 5 0 "[ . 1 . 2]" 1
512 1 39 ILE MD 1 84 VAL QG . . 3.430 2.864 2.231 3.461 0.031 7 0 "[ . 1 . 2]" 1
513 1 39 ILE MD 1 84 VAL MG2 . . 4.160 3.133 2.265 4.071 . 0 0 "[ . 1 . 2]" 1
514 1 39 ILE MD 2 8 PHE HA . . 4.370 4.176 3.720 4.417 0.047 8 0 "[ . 1 . 2]" 1
515 1 39 ILE MD 2 8 PHE QD . . 4.220 3.781 2.681 4.241 0.021 8 0 "[ . 1 . 2]" 1
516 1 39 ILE MG 1 40 ALA H . . 3.920 3.307 3.021 3.512 . 0 0 "[ . 1 . 2]" 1
517 1 39 ILE MG 1 51 LEU HA . . 4.510 3.728 3.268 4.485 . 0 0 "[ . 1 . 2]" 1
518 1 39 ILE MG 2 8 PHE QD . . 4.140 2.452 1.973 3.357 . 0 0 "[ . 1 . 2]" 1
519 1 40 ALA H 1 40 ALA MB . . 3.640 2.293 2.108 2.442 . 0 0 "[ . 1 . 2]" 1
520 1 40 ALA H 1 50 GLY H . . 4.130 3.917 3.665 4.094 . 0 0 "[ . 1 . 2]" 1
521 1 40 ALA H 1 51 LEU HA . . 4.100 3.001 2.701 3.205 . 0 0 "[ . 1 . 2]" 1
522 1 40 ALA H 1 52 VAL QG . . 4.460 2.840 1.959 4.125 . 0 0 "[ . 1 . 2]" 1
523 1 40 ALA MB 1 41 LYS H . . 3.590 2.302 2.084 2.624 . 0 0 "[ . 1 . 2]" 1
524 1 40 ALA MB 1 49 PRO HA . . 5.270 5.312 5.218 5.452 0.182 16 0 "[ . 1 . 2]" 1
525 1 40 ALA MB 1 51 LEU HA . . 4.610 4.521 4.248 4.709 0.099 10 0 "[ . 1 . 2]" 1
526 1 40 ALA MB 1 52 VAL H . . 4.710 4.491 4.214 4.748 0.038 16 0 "[ . 1 . 2]" 1
527 1 40 ALA MB 1 52 VAL HB . . 4.710 3.998 3.172 4.489 . 0 0 "[ . 1 . 2]" 1
528 1 40 ALA MB 1 52 VAL QG . . 3.320 2.248 1.678 3.154 . 0 0 "[ . 1 . 2]" 1
529 1 41 LYS H 1 50 GLY H . . 5.000 4.443 4.233 4.592 . 0 0 "[ . 1 . 2]" 1
530 1 44 GLY H 1 45 ARG H . . 3.740 2.962 1.901 3.771 0.031 3 0 "[ . 1 . 2]" 1
531 1 47 GLY H 1 48 GLY H . . 4.820 3.837 2.302 4.675 . 0 0 "[ . 1 . 2]" 1
532 1 47 GLY QA 1 48 GLY H . . 3.040 2.383 2.176 2.682 . 0 0 "[ . 1 . 2]" 1
533 1 47 GLY QA 1 48 GLY QA . . 4.190 3.677 3.598 3.871 . 0 0 "[ . 1 . 2]" 1
534 1 48 GLY H 1 49 PRO HA . . 4.550 4.274 2.183 4.493 . 0 0 "[ . 1 . 2]" 1
535 1 48 GLY H 1 50 GLY H . . 5.080 4.655 3.567 5.144 0.064 12 0 "[ . 1 . 2]" 1
536 1 48 GLY QA 1 50 GLY H . . 4.550 2.473 2.196 2.857 . 0 0 "[ . 1 . 2]" 1
537 1 49 PRO HG3 2 8 PHE HZ . . 5.010 3.556 2.349 5.013 0.003 11 0 "[ . 1 . 2]" 1
538 1 51 LEU H 1 51 LEU MD1 . . 4.780 4.501 4.448 4.583 . 0 0 "[ . 1 . 2]" 1
539 1 51 LEU H 1 51 LEU MD2 . . 3.950 3.674 3.253 3.860 . 0 0 "[ . 1 . 2]" 1
540 1 51 LEU H 1 51 LEU HG . . 4.430 4.201 4.157 4.235 . 0 0 "[ . 1 . 2]" 1
541 1 51 LEU H 1 52 VAL H . . 4.780 4.586 4.536 4.627 . 0 0 "[ . 1 . 2]" 1
542 1 51 LEU H 1 52 VAL QG . . 5.440 4.174 3.766 5.034 . 0 0 "[ . 1 . 2]" 1
543 1 51 LEU HA 1 51 LEU MD1 . . 3.820 3.133 2.925 3.428 . 0 0 "[ . 1 . 2]" 1
544 1 51 LEU HA 1 51 LEU MD2 . . 4.240 3.947 3.854 4.000 . 0 0 "[ . 1 . 2]" 1
545 1 51 LEU HA 1 52 VAL H . . 3.200 2.303 2.281 2.350 . 0 0 "[ . 1 . 2]" 1
546 1 51 LEU HA 1 52 VAL HB . . 5.500 5.076 3.915 5.500 . 0 0 "[ . 1 . 2]" 1
547 1 51 LEU HA 1 52 VAL QG . . 4.800 3.282 2.875 4.208 . 0 0 "[ . 1 . 2]" 1
548 1 51 LEU MD1 1 52 VAL H . . 3.580 3.052 2.759 3.339 . 0 0 "[ . 1 . 2]" 1
549 1 51 LEU MD1 1 52 VAL HA . . 4.690 4.635 4.474 4.712 0.022 17 0 "[ . 1 . 2]" 1
550 1 51 LEU MD1 2 10 PRO HA . . 3.910 3.578 3.169 3.934 0.024 3 0 "[ . 1 . 2]" 1
551 1 51 LEU MD2 1 52 VAL H . . 4.110 3.903 3.624 4.008 . 0 0 "[ . 1 . 2]" 1
552 1 51 LEU MD2 1 52 VAL HA . . 4.150 3.675 3.184 3.933 . 0 0 "[ . 1 . 2]" 1
553 1 51 LEU MD2 2 10 PRO HA . . 3.740 3.664 2.531 3.780 0.040 9 0 "[ . 1 . 2]" 1
554 1 51 LEU MD2 2 11 SER H . . 5.140 4.596 4.108 5.262 0.122 4 0 "[ . 1 . 2]" 1
555 1 51 LEU HG 1 52 VAL H . . 3.640 2.278 2.107 2.365 . 0 0 "[ . 1 . 2]" 1
556 1 51 LEU HG 1 52 VAL HA . . 3.800 3.214 3.139 3.273 . 0 0 "[ . 1 . 2]" 1
557 1 51 LEU HG 1 52 VAL HB . . 5.280 5.120 4.590 5.356 0.076 4 0 "[ . 1 . 2]" 1
558 1 51 LEU HG 1 52 VAL QG . . 4.540 3.874 3.725 4.219 . 0 0 "[ . 1 . 2]" 1
559 1 52 VAL H 1 52 VAL HB . . 3.860 3.531 2.928 3.773 . 0 0 "[ . 1 . 2]" 1
560 1 52 VAL H 1 52 VAL MG1 . . 3.940 3.518 2.750 3.843 . 0 0 "[ . 1 . 2]" 1
561 1 52 VAL H 1 52 VAL QG . . 3.290 2.412 2.144 2.946 . 0 0 "[ . 1 . 2]" 1
562 1 52 VAL H 1 52 VAL MG2 . . 3.940 2.702 2.157 4.007 0.067 16 0 "[ . 1 . 2]" 1
563 1 52 VAL HA 1 53 PRO HD3 . . 3.520 1.924 1.914 1.945 . 0 0 "[ . 1 . 2]" 1
564 1 52 VAL QG 1 53 PRO HA . . 5.030 4.403 3.749 4.654 . 0 0 "[ . 1 . 2]" 1
565 1 52 VAL QG 1 57 VAL HB . . 4.460 3.628 2.935 4.122 . 0 0 "[ . 1 . 2]" 1
566 1 53 PRO HA 1 54 VAL HA . . 4.390 4.255 4.239 4.267 . 0 0 "[ . 1 . 2]" 1
567 1 53 PRO HA 1 54 VAL HB . . 5.500 5.402 5.311 5.492 . 0 0 "[ . 1 . 2]" 1
568 1 53 PRO HA 1 54 VAL MG1 . . 4.080 3.117 3.066 3.187 . 0 0 "[ . 1 . 2]" 1
569 1 53 PRO HA 1 54 VAL MG2 . . 4.910 4.851 4.621 4.988 0.078 14 0 "[ . 1 . 2]" 1
570 1 53 PRO HA 1 56 PHE H . . 5.050 4.869 4.721 5.037 . 0 0 "[ . 1 . 2]" 1
571 1 53 PRO HB3 2 14 ALA MB . . 4.940 4.261 3.904 4.738 . 0 0 "[ . 1 . 2]" 1
572 1 53 PRO HB3 2 15 PRO HG3 . . 4.690 4.109 3.329 4.638 . 0 0 "[ . 1 . 2]" 1
573 1 54 VAL H 1 54 VAL HB . . 4.050 3.568 3.523 3.622 . 0 0 "[ . 1 . 2]" 1
574 1 54 VAL H 1 54 VAL MG1 . . 3.670 1.888 1.835 1.997 . 0 0 "[ . 1 . 2]" 1
575 1 54 VAL H 1 54 VAL MG2 . . 3.770 2.704 2.500 2.855 . 0 0 "[ . 1 . 2]" 1
576 1 54 VAL H 1 55 GLY H . . 3.870 2.379 2.205 2.470 . 0 0 "[ . 1 . 2]" 1
577 1 54 VAL HA 1 54 VAL MG1 . . 3.690 2.706 2.608 2.789 . 0 0 "[ . 1 . 2]" 1
578 1 54 VAL HA 1 54 VAL MG2 . . 3.740 3.102 3.056 3.146 . 0 0 "[ . 1 . 2]" 1
579 1 54 VAL HA 1 56 PHE H . . 4.260 3.606 3.441 3.980 . 0 0 "[ . 1 . 2]" 1
580 1 54 VAL HA 1 57 VAL MG2 . . 3.740 2.177 1.957 2.404 . 0 0 "[ . 1 . 2]" 1
581 1 54 VAL HA 1 72 VAL QG . . 4.820 3.833 3.378 4.111 . 0 0 "[ . 1 . 2]" 1
582 1 54 VAL HB 1 57 VAL MG2 . . 3.960 3.864 3.684 3.981 0.021 2 0 "[ . 1 . 2]" 1
583 1 54 VAL HB 1 72 VAL QG . . 3.630 2.255 1.813 2.685 . 0 0 "[ . 1 . 2]" 1
584 1 54 VAL MG1 1 55 GLY H . . 4.010 3.784 3.615 3.892 . 0 0 "[ . 1 . 2]" 1
585 1 54 VAL MG1 1 72 VAL MG1 . . 3.940 3.407 3.114 3.737 . 0 0 "[ . 1 . 2]" 1
586 1 54 VAL MG1 1 72 VAL QG . . 3.300 2.568 1.913 2.976 . 0 0 "[ . 1 . 2]" 1
587 1 54 VAL MG1 1 72 VAL MG2 . . 3.940 2.675 1.930 3.201 . 0 0 "[ . 1 . 2]" 1
588 1 54 VAL MG1 1 76 ILE MD . . 4.190 3.848 3.453 4.209 0.019 18 0 "[ . 1 . 2]" 1
589 1 54 VAL MG2 1 55 GLY H . . 3.970 3.210 2.931 3.333 . 0 0 "[ . 1 . 2]" 1
590 1 54 VAL MG2 1 56 PHE H . . 4.630 4.640 4.498 4.716 0.086 11 0 "[ . 1 . 2]" 1
591 1 54 VAL MG2 1 57 VAL H . . 4.900 4.912 4.681 4.986 0.086 16 0 "[ . 1 . 2]" 1
592 1 54 VAL MG2 1 57 VAL MG2 . . 4.900 4.472 4.276 4.616 . 0 0 "[ . 1 . 2]" 1
593 1 54 VAL MG2 1 72 VAL HB . . 4.860 4.318 3.276 4.786 . 0 0 "[ . 1 . 2]" 1
594 1 54 VAL MG2 1 72 VAL MG1 . . 3.610 2.500 1.965 2.874 . 0 0 "[ . 1 . 2]" 1
595 1 54 VAL MG2 1 72 VAL QG . . 2.910 2.409 1.903 2.723 . 0 0 "[ . 1 . 2]" 1
596 1 54 VAL MG2 1 72 VAL MG2 . . 3.610 3.182 2.542 3.623 0.013 14 0 "[ . 1 . 2]" 1
597 1 55 GLY H 1 56 PHE H . . 3.890 2.178 2.081 2.356 . 0 0 "[ . 1 . 2]" 1
598 1 55 GLY QA 1 57 VAL H . . 4.170 3.792 3.660 3.863 . 0 0 "[ . 1 . 2]" 1
599 1 55 GLY QA 1 57 VAL MG2 . . 5.310 4.921 4.758 5.047 . 0 0 "[ . 1 . 2]" 1
600 1 55 GLY HA2 1 57 VAL H . . 4.770 4.013 3.909 4.135 . 0 0 "[ . 1 . 2]" 1
601 1 55 GLY HA3 1 57 VAL H . . 4.770 4.671 4.411 4.792 0.022 14 0 "[ . 1 . 2]" 1
602 1 56 PHE H 1 56 PHE HB3 . . 3.650 3.480 3.406 3.558 . 0 0 "[ . 1 . 2]" 1
603 1 56 PHE H 1 56 PHE QD . . 3.660 3.303 2.820 3.576 . 0 0 "[ . 1 . 2]" 1
604 1 56 PHE H 1 57 VAL MG1 . . 3.630 3.135 2.798 3.285 . 0 0 "[ . 1 . 2]" 1
605 1 56 PHE H 1 57 VAL MG2 . . 3.710 3.429 3.066 3.736 0.026 11 0 "[ . 1 . 2]" 1
606 1 56 PHE HA 1 57 VAL MG2 . . 5.300 5.171 4.923 5.298 . 0 0 "[ . 1 . 2]" 1
607 1 56 PHE HA 2 17 PRO HB3 . . 4.850 3.061 2.681 3.435 . 0 0 "[ . 1 . 2]" 1
608 1 56 PHE HB3 1 57 VAL H . . 4.310 4.098 3.994 4.227 . 0 0 "[ . 1 . 2]" 1
609 1 56 PHE HB3 1 57 VAL MG1 . . 4.210 2.807 2.694 2.948 . 0 0 "[ . 1 . 2]" 1
610 1 56 PHE HB3 2 17 PRO HB3 . . 4.660 4.477 4.291 4.718 0.058 14 0 "[ . 1 . 2]" 1
611 1 56 PHE QD 1 57 VAL H . . 5.110 4.852 4.759 4.959 . 0 0 "[ . 1 . 2]" 1
612 1 56 PHE QD 2 15 PRO HG3 . . 5.440 3.987 3.561 4.744 . 0 0 "[ . 1 . 2]" 1
613 1 56 PHE QD 2 17 PRO HB3 . . 4.430 2.898 2.688 3.100 . 0 0 "[ . 1 . 2]" 1
614 1 56 PHE QD 2 17 PRO HG3 . . 4.700 2.709 2.451 3.063 . 0 0 "[ . 1 . 2]" 1
615 1 56 PHE QE 2 15 PRO HG3 . . 5.500 3.907 3.610 4.569 . 0 0 "[ . 1 . 2]" 1
616 1 56 PHE QE 2 17 PRO HA . . 3.720 2.812 2.601 2.933 . 0 0 "[ . 1 . 2]" 1
617 1 56 PHE QE 2 17 PRO HB3 . . 4.840 2.867 2.744 3.152 . 0 0 "[ . 1 . 2]" 1
618 1 56 PHE QE 2 17 PRO HG3 . . 4.630 3.167 2.868 3.639 . 0 0 "[ . 1 . 2]" 1
619 1 56 PHE QE 2 18 PRO HG3 . . 4.730 4.229 3.933 4.430 . 0 0 "[ . 1 . 2]" 1
620 1 57 VAL H 1 57 VAL MG1 . . 3.480 2.818 2.658 3.021 . 0 0 "[ . 1 . 2]" 1
621 1 57 VAL H 1 57 VAL MG2 . . 3.200 2.457 2.313 2.667 . 0 0 "[ . 1 . 2]" 1
622 1 57 VAL H 1 58 SER H . . 4.460 4.389 4.354 4.419 . 0 0 "[ . 1 . 2]" 1
623 1 57 VAL HA 1 57 VAL MG1 . . 3.590 2.481 2.394 2.624 . 0 0 "[ . 1 . 2]" 1
624 1 57 VAL HA 1 58 SER H . . 3.460 2.422 2.337 2.540 . 0 0 "[ . 1 . 2]" 1
625 1 57 VAL HB 1 58 SER H . . 3.590 2.703 2.494 2.891 . 0 0 "[ . 1 . 2]" 1
626 1 57 VAL MG1 1 58 SER H . . 4.120 4.040 3.930 4.121 0.001 4 0 "[ . 1 . 2]" 1
627 1 57 VAL MG2 1 58 SER H . . 3.440 3.197 2.721 3.457 0.017 14 0 "[ . 1 . 2]" 1
628 1 57 VAL MG2 1 58 SER HA . . 4.160 3.575 3.375 3.751 . 0 0 "[ . 1 . 2]" 1
629 1 58 SER HA 1 59 ILE H . . 3.310 2.276 2.218 2.356 . 0 0 "[ . 1 . 2]" 1
630 1 58 SER HA 1 59 ILE HB . . 4.870 4.697 4.553 4.794 . 0 0 "[ . 1 . 2]" 1
631 1 58 SER HA 1 59 ILE MD . . 5.230 4.719 4.287 5.095 . 0 0 "[ . 1 . 2]" 1
632 1 58 SER HA 1 59 ILE HG13 . . 5.150 4.994 4.832 5.145 . 0 0 "[ . 1 . 2]" 1
633 1 59 ILE H 1 59 ILE HB . . 3.920 2.455 2.320 2.525 . 0 0 "[ . 1 . 2]" 1
634 1 59 ILE H 1 59 ILE MD . . 4.030 3.640 3.530 3.808 . 0 0 "[ . 1 . 2]" 1
635 1 59 ILE H 1 59 ILE HG13 . . 4.080 3.298 3.141 3.534 . 0 0 "[ . 1 . 2]" 1
636 1 59 ILE H 1 59 ILE MG . . 3.980 3.732 3.689 3.774 . 0 0 "[ . 1 . 2]" 1
637 1 59 ILE H 1 60 ILE MG . . 4.640 4.107 3.598 4.463 . 0 0 "[ . 1 . 2]" 1
638 1 59 ILE HA 1 59 ILE MD . . 3.660 2.290 2.137 2.371 . 0 0 "[ . 1 . 2]" 1
639 1 59 ILE HA 1 60 ILE MG . . 4.440 3.914 3.092 4.337 . 0 0 "[ . 1 . 2]" 1
640 1 59 ILE MD 1 59 ILE MG . . 3.180 1.867 1.827 1.909 . 0 0 "[ . 1 . 2]" 1
641 1 59 ILE MD 1 72 VAL HA . . 4.520 4.202 3.504 4.524 0.004 14 0 "[ . 1 . 2]" 1
642 1 59 ILE MD 1 72 VAL QG . . 3.090 2.752 2.289 3.014 . 0 0 "[ . 1 . 2]" 1
643 1 59 ILE HG13 1 72 VAL H . . 4.930 4.741 4.176 4.943 0.013 2 0 "[ . 1 . 2]" 1
644 1 59 ILE HG13 1 72 VAL HB . . 4.930 2.539 2.082 3.486 . 0 0 "[ . 1 . 2]" 1
645 1 59 ILE HG13 1 72 VAL QG . . 3.290 2.088 1.904 2.582 . 0 0 "[ . 1 . 2]" 1
646 1 59 ILE MG 1 60 ILE H . . 4.440 2.440 2.060 3.165 . 0 0 "[ . 1 . 2]" 1
647 1 59 ILE MG 1 72 VAL HA . . 4.380 3.717 3.210 4.069 . 0 0 "[ . 1 . 2]" 1
648 1 59 ILE MG 1 75 ASP HB3 . . 4.290 3.272 1.920 3.909 . 0 0 "[ . 1 . 2]" 1
649 1 60 ILE H 1 60 ILE MG . . 3.890 3.361 2.569 3.697 . 0 0 "[ . 1 . 2]" 1
650 1 60 ILE MG 1 66 TYR HA . . 3.720 2.543 1.811 3.757 0.037 17 0 "[ . 1 . 2]" 1
651 1 60 ILE MG 1 66 TYR QD . . 3.930 3.103 1.851 3.936 0.006 16 0 "[ . 1 . 2]" 1
652 1 60 ILE MG 1 67 ALA H . . 3.740 2.859 1.926 3.813 0.073 17 0 "[ . 1 . 2]" 1
653 1 60 ILE MG 1 68 THR H . . 4.910 4.705 3.911 4.933 0.023 4 0 "[ . 1 . 2]" 1
654 1 64 THR MG 1 65 GLY H . . 4.110 3.496 2.203 4.125 0.015 17 0 "[ . 1 . 2]" 1
655 1 66 TYR H 1 66 TYR QD . . 4.440 3.406 2.022 4.437 . 0 0 "[ . 1 . 2]" 1
656 1 66 TYR H 1 67 ALA H . . 4.660 4.368 4.089 4.511 . 0 0 "[ . 1 . 2]" 1
657 1 66 TYR H 1 69 GLY H . . 3.980 3.723 3.096 4.002 0.022 9 0 "[ . 1 . 2]" 1
658 1 66 TYR H 1 69 GLY QA . . 4.670 4.141 3.097 4.712 0.042 19 0 "[ . 1 . 2]" 1
659 1 66 TYR HA 1 67 ALA H . . 3.170 2.423 2.189 2.737 . 0 0 "[ . 1 . 2]" 1
660 1 66 TYR HA 1 69 GLY H . . 5.130 4.723 4.269 5.128 . 0 0 "[ . 1 . 2]" 1
661 1 66 TYR QD 1 67 ALA H . . 4.390 3.690 2.559 4.416 0.026 16 0 "[ . 1 . 2]" 1
662 1 67 ALA H 1 67 ALA MB . . 2.980 2.527 1.994 2.908 . 0 0 "[ . 1 . 2]" 1
663 1 67 ALA HA 1 69 GLY H . . 5.390 4.340 3.931 4.965 . 0 0 "[ . 1 . 2]" 1
664 1 67 ALA MB 1 68 THR H . . 3.920 3.259 1.920 3.774 . 0 0 "[ . 1 . 2]" 1
665 1 67 ALA MB 1 69 GLY H . . 3.430 3.238 2.770 3.631 0.201 12 0 "[ . 1 . 2]" 1
666 1 67 ALA MB 1 70 ASN H . . 4.240 3.770 1.937 4.242 0.002 5 0 "[ . 1 . 2]" 1
667 1 68 THR H 1 68 THR MG . . 4.050 3.301 2.038 4.060 0.010 3 0 "[ . 1 . 2]" 1
668 1 68 THR HA 1 68 THR MG . . 3.290 3.088 2.522 3.246 . 0 0 "[ . 1 . 2]" 1
669 1 68 THR HB 1 69 GLY H . . 4.640 4.425 3.589 4.664 0.024 1 0 "[ . 1 . 2]" 1
670 1 68 THR HB 1 70 ASN QD . . 4.710 4.231 2.955 4.711 0.001 11 0 "[ . 1 . 2]" 1
671 1 68 THR MG 1 69 GLY H . . 3.680 3.559 3.115 4.037 0.357 19 0 "[ . 1 . 2]" 1
672 1 68 THR MG 1 70 ASN H . . 3.730 2.455 1.896 3.765 0.035 11 0 "[ . 1 . 2]" 1
673 1 68 THR MG 1 70 ASN HD21 . . 4.230 2.430 1.842 4.235 0.005 4 0 "[ . 1 . 2]" 1
674 1 68 THR MG 1 70 ASN QD . . 3.620 2.133 1.800 3.379 . 0 0 "[ . 1 . 2]" 1
675 1 68 THR MG 1 70 ASN HD22 . . 4.230 2.841 1.868 3.551 . 0 0 "[ . 1 . 2]" 1
676 1 69 GLY H 1 70 ASN H . . 3.510 2.899 1.928 3.543 0.033 19 0 "[ . 1 . 2]" 1
677 1 70 ASN H 1 70 ASN HB3 . . 3.690 3.375 2.503 3.680 . 0 0 "[ . 1 . 2]" 1
678 1 70 ASN H 1 70 ASN HD21 . . 4.350 2.984 1.971 4.121 . 0 0 "[ . 1 . 2]" 1
679 1 70 ASN H 1 70 ASN QD . . 3.560 2.851 1.907 3.562 0.002 4 0 "[ . 1 . 2]" 1
680 1 70 ASN H 1 70 ASN HD22 . . 4.350 3.854 2.542 4.361 0.011 1 0 "[ . 1 . 2]" 1
681 1 70 ASN H 1 71 ASP H . . 4.730 4.575 4.409 4.661 . 0 0 "[ . 1 . 2]" 1
682 1 70 ASN HA 1 71 ASP H . . 2.840 2.530 2.254 2.678 . 0 0 "[ . 1 . 2]" 1
683 1 70 ASN HA 1 71 ASP HA . . 4.480 4.329 4.302 4.370 . 0 0 "[ . 1 . 2]" 1
684 1 71 ASP H 1 74 GLU H . . 3.840 3.678 3.449 3.892 0.052 17 0 "[ . 1 . 2]" 1
685 1 71 ASP H 1 74 GLU HA . . 5.500 5.078 4.900 5.282 . 0 0 "[ . 1 . 2]" 1
686 1 71 ASP HA 1 72 VAL H . . 2.740 2.384 2.273 2.475 . 0 0 "[ . 1 . 2]" 1
687 1 71 ASP HA 1 72 VAL HA . . 4.470 4.345 4.336 4.381 . 0 0 "[ . 1 . 2]" 1
688 1 71 ASP HA 1 72 VAL QG . . 3.800 3.673 3.556 3.801 0.001 7 0 "[ . 1 . 2]" 1
689 1 71 ASP HA 1 73 ILE H . . 4.860 4.400 4.112 4.736 . 0 0 "[ . 1 . 2]" 1
690 1 71 ASP HA 1 74 GLU H . . 4.590 4.318 4.156 4.619 0.029 20 0 "[ . 1 . 2]" 1
691 1 72 VAL H 1 72 VAL HB . . 3.500 2.613 2.301 2.728 . 0 0 "[ . 1 . 2]" 1
692 1 72 VAL H 1 72 VAL MG1 . . 3.690 1.907 1.862 2.200 . 0 0 "[ . 1 . 2]" 1
693 1 72 VAL H 1 72 VAL QG . . 2.880 1.900 1.857 2.184 . 0 0 "[ . 1 . 2]" 1
694 1 72 VAL H 1 72 VAL MG2 . . 3.690 3.685 3.672 3.707 0.017 12 0 "[ . 1 . 2]" 1
695 1 72 VAL H 1 73 ILE H . . 3.450 2.961 2.762 3.133 . 0 0 "[ . 1 . 2]" 1
696 1 72 VAL H 1 73 ILE MD . . 4.950 4.237 3.538 4.947 . 0 0 "[ . 1 . 2]" 1
697 1 72 VAL H 1 74 GLU H . . 4.510 4.184 3.907 4.585 0.075 20 0 "[ . 1 . 2]" 1
698 1 72 VAL HA 1 72 VAL QG . . 2.760 2.445 2.273 2.522 . 0 0 "[ . 1 . 2]" 1
699 1 72 VAL HA 1 73 ILE HA . . 5.230 4.774 4.724 4.826 . 0 0 "[ . 1 . 2]" 1
700 1 72 VAL HA 1 75 ASP H . . 3.670 3.290 3.084 3.563 . 0 0 "[ . 1 . 2]" 1
701 1 72 VAL HA 1 76 ILE H . . 4.760 4.641 4.417 4.781 0.021 17 0 "[ . 1 . 2]" 1
702 1 72 VAL HA 1 76 ILE MD . . 4.260 3.980 3.508 4.258 . 0 0 "[ . 1 . 2]" 1
703 1 72 VAL HB 1 73 ILE H . . 4.130 4.018 3.841 4.141 0.011 18 0 "[ . 1 . 2]" 1
704 1 72 VAL HB 1 73 ILE HG13 . . 5.460 5.183 4.871 5.455 . 0 0 "[ . 1 . 2]" 1
705 1 72 VAL QG 1 73 ILE H . . 2.820 1.878 1.791 1.932 . 0 0 "[ . 1 . 2]" 1
706 1 72 VAL QG 1 73 ILE HA . . 4.400 3.045 2.821 3.257 . 0 0 "[ . 1 . 2]" 1
707 1 72 VAL QG 1 73 ILE HG13 . . 3.190 2.434 1.958 2.734 . 0 0 "[ . 1 . 2]" 1
708 1 72 VAL QG 1 74 GLU H . . 4.390 3.868 3.678 4.063 . 0 0 "[ . 1 . 2]" 1
709 1 72 VAL QG 1 75 ASP H . . 4.270 3.943 3.786 4.110 . 0 0 "[ . 1 . 2]" 1
710 1 72 VAL QG 1 76 ILE H . . 4.680 4.227 4.068 4.431 . 0 0 "[ . 1 . 2]" 1
711 1 72 VAL QG 1 76 ILE MD . . 3.260 2.201 1.855 2.405 . 0 0 "[ . 1 . 2]" 1
712 1 72 VAL MG1 1 73 ILE H . . 4.210 1.896 1.803 1.943 . 0 0 "[ . 1 . 2]" 1
713 1 72 VAL MG1 1 73 ILE HG13 . . 3.710 2.657 1.965 3.278 . 0 0 "[ . 1 . 2]" 1
714 1 72 VAL MG1 1 75 ASP H . . 5.110 4.689 4.540 4.835 . 0 0 "[ . 1 . 2]" 1
715 1 72 VAL MG1 1 76 ILE MD . . 4.060 3.739 3.087 4.061 0.001 19 0 "[ . 1 . 2]" 1
716 1 72 VAL MG2 1 73 ILE H . . 4.210 3.127 2.608 3.644 . 0 0 "[ . 1 . 2]" 1
717 1 72 VAL MG2 1 73 ILE HG13 . . 3.710 3.131 2.644 3.749 0.039 17 0 "[ . 1 . 2]" 1
718 1 72 VAL MG2 1 75 ASP H . . 5.110 4.244 4.014 4.448 . 0 0 "[ . 1 . 2]" 1
719 1 72 VAL MG2 1 76 ILE MD . . 4.060 2.221 1.864 2.508 . 0 0 "[ . 1 . 2]" 1
720 1 73 ILE H 1 73 ILE HB . . 2.850 2.413 2.316 2.506 . 0 0 "[ . 1 . 2]" 1
721 1 73 ILE H 1 73 ILE MD . . 3.780 2.463 1.873 3.139 . 0 0 "[ . 1 . 2]" 1
722 1 73 ILE H 1 73 ILE HG13 . . 3.310 2.399 1.982 2.819 . 0 0 "[ . 1 . 2]" 1
723 1 73 ILE H 1 73 ILE MG . . 3.890 3.704 3.683 3.719 . 0 0 "[ . 1 . 2]" 1
724 1 73 ILE H 1 74 GLU H . . 3.190 2.690 2.507 2.894 . 0 0 "[ . 1 . 2]" 1
725 1 73 ILE H 1 75 ASP H . . 4.200 3.808 3.700 3.897 . 0 0 "[ . 1 . 2]" 1
726 1 73 ILE H 1 76 ILE MD . . 3.840 3.680 3.438 3.863 0.023 20 0 "[ . 1 . 2]" 1
727 1 73 ILE HA 1 73 ILE MD . . 4.010 3.701 3.476 3.897 . 0 0 "[ . 1 . 2]" 1
728 1 73 ILE HA 1 73 ILE HG13 . . 4.120 2.471 2.288 2.766 . 0 0 "[ . 1 . 2]" 1
729 1 73 ILE HA 1 73 ILE MG . . 3.290 2.469 2.338 2.551 . 0 0 "[ . 1 . 2]" 1
730 1 73 ILE HA 1 74 GLU HA . . 5.500 4.702 4.615 4.822 . 0 0 "[ . 1 . 2]" 1
731 1 73 ILE HA 1 75 ASP H . . 4.330 3.790 3.643 3.953 . 0 0 "[ . 1 . 2]" 1
732 1 73 ILE HA 1 76 ILE H . . 4.230 3.239 2.971 3.479 . 0 0 "[ . 1 . 2]" 1
733 1 73 ILE HA 1 76 ILE MD . . 3.570 1.895 1.771 2.159 . 0 0 "[ . 1 . 2]" 1
734 1 73 ILE HA 1 76 ILE MG . . 4.240 3.983 3.640 4.177 . 0 0 "[ . 1 . 2]" 1
735 1 73 ILE HA 1 77 LYS H . . 4.880 4.632 4.191 4.896 0.016 4 0 "[ . 1 . 2]" 1
736 1 73 ILE HB 1 73 ILE MD . . 3.170 2.028 1.953 2.192 . 0 0 "[ . 1 . 2]" 1
737 1 73 ILE HB 1 74 GLU H . . 3.250 2.742 2.348 3.028 . 0 0 "[ . 1 . 2]" 1
738 1 73 ILE HB 1 74 GLU HG3 . . 4.180 3.745 3.457 3.983 . 0 0 "[ . 1 . 2]" 1
739 1 73 ILE MD 1 74 GLU H . . 4.330 3.931 3.349 4.333 0.003 1 0 "[ . 1 . 2]" 1
740 1 73 ILE MD 1 76 ILE MD . . 4.490 4.297 3.859 4.473 . 0 0 "[ . 1 . 2]" 1
741 1 73 ILE HG13 1 73 ILE MG . . 3.190 3.010 2.791 3.207 0.017 14 0 "[ . 1 . 2]" 1
742 1 73 ILE HG13 1 74 GLU H . . 4.720 4.541 4.248 4.731 0.011 2 0 "[ . 1 . 2]" 1
743 1 73 ILE HG13 1 76 ILE MD . . 4.070 3.248 2.724 3.551 . 0 0 "[ . 1 . 2]" 1
744 1 73 ILE MG 1 74 GLU H . . 4.150 3.502 2.987 3.791 . 0 0 "[ . 1 . 2]" 1
745 1 73 ILE MG 1 74 GLU HA . . 4.000 3.485 3.118 3.706 . 0 0 "[ . 1 . 2]" 1
746 1 73 ILE MG 1 75 ASP H . . 5.470 4.659 4.441 4.892 . 0 0 "[ . 1 . 2]" 1
747 1 73 ILE MG 1 76 ILE H . . 4.770 4.239 4.085 4.513 . 0 0 "[ . 1 . 2]" 1
748 1 73 ILE MG 1 76 ILE MD . . 4.290 3.291 2.847 3.841 . 0 0 "[ . 1 . 2]" 1
749 1 73 ILE MG 1 76 ILE MG . . 4.230 3.794 3.370 4.119 . 0 0 "[ . 1 . 2]" 1
750 1 74 GLU H 1 74 GLU HG3 . . 3.600 2.521 2.154 2.866 . 0 0 "[ . 1 . 2]" 1
751 1 74 GLU H 1 75 ASP H . . 3.250 2.556 2.330 2.843 . 0 0 "[ . 1 . 2]" 1
752 1 74 GLU H 1 76 ILE H . . 4.490 3.989 3.792 4.282 . 0 0 "[ . 1 . 2]" 1
753 1 74 GLU H 1 76 ILE MD . . 4.640 4.545 4.263 4.858 0.218 20 0 "[ . 1 . 2]" 1
754 1 74 GLU HA 1 74 GLU HG3 . . 3.570 3.328 3.227 3.442 . 0 0 "[ . 1 . 2]" 1
755 1 74 GLU HA 1 76 ILE H . . 4.590 3.839 3.691 4.314 . 0 0 "[ . 1 . 2]" 1
756 1 74 GLU HA 1 78 SER H . . 5.120 4.233 3.634 4.448 . 0 0 "[ . 1 . 2]" 1
757 1 74 GLU HG3 1 75 ASP H . . 5.010 4.732 4.472 4.918 . 0 0 "[ . 1 . 2]" 1
758 1 75 ASP H 1 75 ASP HB3 . . 3.600 3.030 2.381 3.564 . 0 0 "[ . 1 . 2]" 1
759 1 75 ASP H 1 76 ILE H . . 3.700 2.269 2.221 2.470 . 0 0 "[ . 1 . 2]" 1
760 1 75 ASP H 1 76 ILE HB . . 4.210 4.085 3.995 4.263 0.053 20 0 "[ . 1 . 2]" 1
761 1 75 ASP H 1 76 ILE MD . . 4.220 3.779 3.342 4.209 . 0 0 "[ . 1 . 2]" 1
762 1 75 ASP H 1 76 ILE MG . . 5.490 5.316 5.211 5.395 . 0 0 "[ . 1 . 2]" 1
763 1 75 ASP H 1 78 SER H . . 4.770 4.564 4.439 4.732 . 0 0 "[ . 1 . 2]" 1
764 1 75 ASP HA 1 78 SER H . . 4.130 3.465 3.339 3.578 . 0 0 "[ . 1 . 2]" 1
765 1 75 ASP HA 1 78 SER HB3 . . 3.850 3.222 2.646 3.627 . 0 0 "[ . 1 . 2]" 1
766 1 75 ASP HA 1 79 VAL MG1 . . 4.460 4.192 3.567 4.457 . 0 0 "[ . 1 . 2]" 1
767 1 75 ASP HB3 1 76 ILE H . . 4.380 3.443 2.665 4.070 . 0 0 "[ . 1 . 2]" 1
768 1 76 ILE H 1 76 ILE HB . . 3.330 2.089 2.033 2.144 . 0 0 "[ . 1 . 2]" 1
769 1 76 ILE H 1 76 ILE MD . . 3.620 2.792 2.356 3.266 . 0 0 "[ . 1 . 2]" 1
770 1 76 ILE H 1 76 ILE MG . . 3.710 3.502 3.369 3.576 . 0 0 "[ . 1 . 2]" 1
771 1 76 ILE H 1 77 LYS H . . 3.700 2.863 2.785 2.974 . 0 0 "[ . 1 . 2]" 1
772 1 76 ILE H 1 81 LEU QD . . 5.080 4.925 4.423 5.105 0.025 17 0 "[ . 1 . 2]" 1
773 1 76 ILE HA 1 76 ILE MG . . 3.530 2.701 2.623 2.802 . 0 0 "[ . 1 . 2]" 1
774 1 76 ILE HA 1 79 VAL H . . 4.510 3.953 3.674 4.259 . 0 0 "[ . 1 . 2]" 1
775 1 76 ILE HA 1 79 VAL MG1 . . 4.620 4.288 3.612 4.626 0.006 19 0 "[ . 1 . 2]" 1
776 1 76 ILE HA 1 79 VAL MG2 . . 4.160 3.407 2.780 4.014 . 0 0 "[ . 1 . 2]" 1
777 1 76 ILE HA 1 81 LEU H . . 4.300 4.049 3.459 4.308 0.008 18 0 "[ . 1 . 2]" 1
778 1 76 ILE HA 1 81 LEU QD . . 4.170 2.689 2.108 3.227 . 0 0 "[ . 1 . 2]" 1
779 1 76 ILE HB 1 76 ILE MD . . 3.090 2.039 1.942 2.132 . 0 0 "[ . 1 . 2]" 1
780 1 76 ILE HB 1 77 LYS H . . 3.190 2.537 2.412 2.712 . 0 0 "[ . 1 . 2]" 1
781 1 76 ILE MD 1 77 LYS H . . 4.480 4.184 4.110 4.278 . 0 0 "[ . 1 . 2]" 1
782 1 76 ILE MG 1 77 LYS H . . 3.710 2.133 1.916 2.292 . 0 0 "[ . 1 . 2]" 1
783 1 76 ILE MG 1 77 LYS HA . . 3.770 2.908 2.842 3.018 . 0 0 "[ . 1 . 2]" 1
784 1 76 ILE MG 1 78 SER H . . 4.470 4.157 3.994 4.422 . 0 0 "[ . 1 . 2]" 1
785 1 76 ILE MG 1 80 ASN HA . . 4.940 4.477 3.859 4.920 . 0 0 "[ . 1 . 2]" 1
786 1 76 ILE MG 1 81 LEU H . . 3.850 3.550 3.199 3.808 . 0 0 "[ . 1 . 2]" 1
787 1 76 ILE MG 1 81 LEU HA . . 5.460 5.060 4.716 5.467 0.007 6 0 "[ . 1 . 2]" 1
788 1 76 ILE MG 1 81 LEU QD . . 3.450 2.814 1.811 3.330 . 0 0 "[ . 1 . 2]" 1
789 1 77 LYS H 1 77 LYS HG3 . . 4.110 3.772 2.244 4.025 . 0 0 "[ . 1 . 2]" 1
790 1 77 LYS H 1 78 SER H . . 3.440 2.670 2.622 2.784 . 0 0 "[ . 1 . 2]" 1
791 1 77 LYS H 1 79 VAL H . . 5.040 4.715 4.259 4.922 . 0 0 "[ . 1 . 2]" 1
792 1 77 LYS HA 1 77 LYS HG3 . . 4.250 4.013 2.447 4.204 . 0 0 "[ . 1 . 2]" 1
793 1 77 LYS HA 1 80 ASN H . . 3.820 3.012 2.645 3.296 . 0 0 "[ . 1 . 2]" 1
794 1 77 LYS HA 1 80 ASN HA . . 3.800 2.572 2.261 2.791 . 0 0 "[ . 1 . 2]" 1
795 1 78 SER H 1 79 VAL H . . 4.200 2.937 2.711 3.147 . 0 0 "[ . 1 . 2]" 1
796 1 78 SER H 1 79 VAL MG1 . . 4.330 4.213 3.822 4.335 0.005 15 0 "[ . 1 . 2]" 1
797 1 78 SER HB3 1 79 VAL MG1 . . 4.000 2.587 2.284 2.911 . 0 0 "[ . 1 . 2]" 1
798 1 78 SER HB3 1 79 VAL MG2 . . 5.040 4.483 3.764 4.974 . 0 0 "[ . 1 . 2]" 1
799 1 79 VAL H 1 79 VAL MG1 . . 3.780 2.168 1.930 2.682 . 0 0 "[ . 1 . 2]" 1
800 1 79 VAL H 1 79 VAL MG2 . . 3.840 2.320 2.124 2.543 . 0 0 "[ . 1 . 2]" 1
801 1 79 VAL H 1 80 ASN H . . 3.580 2.540 2.110 2.805 . 0 0 "[ . 1 . 2]" 1
802 1 79 VAL H 1 80 ASN HA . . 4.700 4.450 3.967 4.636 . 0 0 "[ . 1 . 2]" 1
803 1 79 VAL H 1 81 LEU H . . 4.410 3.333 2.883 3.940 . 0 0 "[ . 1 . 2]" 1
804 1 79 VAL HA 1 79 VAL MG1 . . 3.280 2.522 2.372 2.619 . 0 0 "[ . 1 . 2]" 1
805 1 79 VAL MG1 1 80 ASN H . . 4.330 4.086 3.732 4.267 . 0 0 "[ . 1 . 2]" 1
806 1 79 VAL MG1 1 81 LEU H . . 4.440 4.345 4.104 4.448 0.008 17 0 "[ . 1 . 2]" 1
807 1 79 VAL MG2 1 80 ASN H . . 4.250 3.314 2.572 3.567 . 0 0 "[ . 1 . 2]" 1
808 1 79 VAL MG2 1 81 LEU H . . 3.580 2.146 1.819 2.402 . 0 0 "[ . 1 . 2]" 1
809 1 80 ASN H 1 81 LEU H . . 3.640 2.814 2.336 2.981 . 0 0 "[ . 1 . 2]" 1
810 1 80 ASN HA 1 80 ASN QD . . 4.280 3.762 2.522 4.142 . 0 0 "[ . 1 . 2]" 1
811 1 81 LEU H 1 81 LEU MD1 . . 4.340 4.255 3.792 4.396 0.056 8 0 "[ . 1 . 2]" 1
812 1 81 LEU H 1 81 LEU MD2 . . 4.340 3.776 3.054 4.107 . 0 0 "[ . 1 . 2]" 1
813 1 83 THR H 1 83 THR MG . . 3.760 3.572 3.515 3.633 . 0 0 "[ . 1 . 2]" 1
814 1 83 THR H 1 86 GLU HB3 . . 4.400 3.083 2.670 3.507 . 0 0 "[ . 1 . 2]" 1
815 1 83 THR HA 1 84 VAL QG . . 4.360 3.973 3.234 4.307 . 0 0 "[ . 1 . 2]" 1
816 1 83 THR HB 1 85 GLN H . . 3.830 3.007 2.630 3.664 . 0 0 "[ . 1 . 2]" 1
817 1 83 THR HB 1 85 GLN HE21 . . 4.460 3.547 2.212 4.490 0.030 14 0 "[ . 1 . 2]" 1
818 1 83 THR HB 1 85 GLN QE . . 3.710 3.089 1.908 3.568 . 0 0 "[ . 1 . 2]" 1
819 1 83 THR HB 1 85 GLN HE22 . . 4.460 3.844 1.936 4.538 0.078 17 0 "[ . 1 . 2]" 1
820 1 83 THR HB 1 86 GLU H . . 3.790 2.346 2.077 2.525 . 0 0 "[ . 1 . 2]" 1
821 1 83 THR HB 1 86 GLU HA . . 4.500 4.350 4.017 4.546 0.046 5 0 "[ . 1 . 2]" 1
822 1 83 THR HB 1 86 GLU HB3 . . 4.420 4.039 3.600 4.408 . 0 0 "[ . 1 . 2]" 1
823 1 83 THR HB 1 87 TRP H . . 4.560 4.154 3.694 4.493 . 0 0 "[ . 1 . 2]" 1
824 1 83 THR MG 1 84 VAL H . . 3.550 1.931 1.892 2.180 . 0 0 "[ . 1 . 2]" 1
825 1 83 THR MG 1 84 VAL HB . . 5.050 4.030 3.701 4.912 . 0 0 "[ . 1 . 2]" 1
826 1 83 THR MG 1 84 VAL MG1 . . 5.020 2.473 2.054 2.805 . 0 0 "[ . 1 . 2]" 1
827 1 83 THR MG 1 84 VAL QG . . 3.580 2.440 2.050 2.622 . 0 0 "[ . 1 . 2]" 1
828 1 83 THR MG 1 84 VAL MG2 . . 5.020 4.398 2.932 4.722 . 0 0 "[ . 1 . 2]" 1
829 1 83 THR MG 1 85 GLN H . . 3.960 2.898 2.640 3.250 . 0 0 "[ . 1 . 2]" 1
830 1 83 THR MG 1 85 GLN HE21 . . 4.430 2.425 1.886 3.042 . 0 0 "[ . 1 . 2]" 1
831 1 83 THR MG 1 85 GLN QE . . 3.860 2.035 1.703 2.491 . 0 0 "[ . 1 . 2]" 1
832 1 83 THR MG 1 85 GLN HE22 . . 4.430 2.493 1.755 3.904 . 0 0 "[ . 1 . 2]" 1
833 1 83 THR MG 1 85 GLN HG3 . . 5.100 3.786 2.818 4.508 . 0 0 "[ . 1 . 2]" 1
834 1 83 THR MG 1 86 GLU H . . 3.820 3.704 3.377 3.849 0.029 16 0 "[ . 1 . 2]" 1
835 1 84 VAL H 1 84 VAL HB . . 3.610 2.662 2.376 3.535 . 0 0 "[ . 1 . 2]" 1
836 1 84 VAL H 1 84 VAL MG1 . . 3.900 1.959 1.741 2.139 . 0 0 "[ . 1 . 2]" 1
837 1 84 VAL H 1 84 VAL QG . . 2.970 1.941 1.737 2.126 . 0 0 "[ . 1 . 2]" 1
838 1 84 VAL H 1 84 VAL MG2 . . 3.900 3.524 2.432 3.740 . 0 0 "[ . 1 . 2]" 1
839 1 84 VAL H 1 85 GLN H . . 3.710 2.553 2.317 2.991 . 0 0 "[ . 1 . 2]" 1
840 1 84 VAL HA 1 84 VAL MG1 . . 3.360 3.111 2.544 3.221 . 0 0 "[ . 1 . 2]" 1
841 1 84 VAL HA 1 84 VAL MG2 . . 3.360 2.423 2.149 3.166 . 0 0 "[ . 1 . 2]" 1
842 1 84 VAL HA 1 86 GLU H . . 4.080 3.954 3.800 4.099 0.019 7 0 "[ . 1 . 2]" 1
843 1 84 VAL HA 1 87 TRP HE3 . . 4.350 2.952 2.552 3.900 . 0 0 "[ . 1 . 2]" 1
844 1 84 VAL HB 1 85 GLN H . . 4.040 3.915 3.729 4.126 0.086 5 0 "[ . 1 . 2]" 1
845 1 84 VAL HB 2 9 ILE MD . . 4.350 4.268 3.933 4.388 0.038 4 0 "[ . 1 . 2]" 1
846 1 84 VAL QG 1 85 GLN H . . 3.530 1.886 1.693 2.154 . 0 0 "[ . 1 . 2]" 1
847 1 84 VAL QG 1 85 GLN HA . . 4.100 3.122 2.835 3.291 . 0 0 "[ . 1 . 2]" 1
848 1 84 VAL QG 1 85 GLN QE . . 3.910 2.548 1.817 4.001 0.091 17 0 "[ . 1 . 2]" 1
849 1 84 VAL QG 1 86 GLU H . . 3.880 3.717 3.372 3.874 . 0 0 "[ . 1 . 2]" 1
850 1 84 VAL QG 1 87 TRP HB3 . . 5.170 4.396 4.107 4.891 . 0 0 "[ . 1 . 2]" 1
851 1 84 VAL QG 1 87 TRP HZ3 . . 5.110 4.193 3.732 5.116 0.006 18 0 "[ . 1 . 2]" 1
852 1 84 VAL QG 1 88 LYS H . . 4.510 3.908 3.501 4.521 0.011 20 0 "[ . 1 . 2]" 1
853 1 84 VAL QG 2 9 ILE HA . . 4.570 3.442 2.801 3.913 . 0 0 "[ . 1 . 2]" 1
854 1 84 VAL MG1 2 9 ILE MD . . 3.300 2.230 1.758 3.329 0.029 14 0 "[ . 1 . 2]" 1
855 1 84 VAL MG2 2 9 ILE MD . . 3.300 2.794 1.818 3.298 . 0 0 "[ . 1 . 2]" 1
856 1 85 GLN H 1 85 GLN HB3 . . 4.000 3.149 2.586 3.606 . 0 0 "[ . 1 . 2]" 1
857 1 85 GLN H 1 85 GLN QE . . 4.100 2.852 1.880 3.931 . 0 0 "[ . 1 . 2]" 1
858 1 85 GLN H 1 85 GLN HG3 . . 3.850 2.541 1.735 3.667 . 0 0 "[ . 1 . 2]" 1
859 1 85 GLN H 1 86 GLU H . . 3.370 2.441 2.311 2.619 . 0 0 "[ . 1 . 2]" 1
860 1 85 GLN HA 1 88 LYS H . . 4.310 3.913 3.656 4.199 . 0 0 "[ . 1 . 2]" 1
861 1 85 GLN HA 1 88 LYS HB3 . . 4.580 4.454 4.023 4.613 0.033 5 0 "[ . 1 . 2]" 1
862 1 85 GLN HA 1 89 SER H . . 4.010 3.753 3.247 4.016 0.006 15 0 "[ . 1 . 2]" 1
863 1 85 GLN HB3 1 86 GLU H . . 4.580 4.391 4.208 4.522 . 0 0 "[ . 1 . 2]" 1
864 1 85 GLN QE 2 9 ILE MD . . 4.560 3.307 1.882 4.589 0.029 18 0 "[ . 1 . 2]" 1
865 1 85 GLN QE 2 9 ILE MG . . 5.330 4.785 3.479 5.372 0.042 18 0 "[ . 1 . 2]" 1
866 1 85 GLN HG3 2 9 ILE MD . . 4.200 3.237 2.300 4.230 0.030 16 0 "[ . 1 . 2]" 1
867 1 86 GLU H 1 87 TRP H . . 3.630 2.354 2.222 2.479 . 0 0 "[ . 1 . 2]" 1
868 1 86 GLU H 1 87 TRP HB3 . . 4.720 4.268 4.145 4.405 . 0 0 "[ . 1 . 2]" 1
869 1 86 GLU HA 1 89 SER H . . 4.160 3.674 3.401 4.106 . 0 0 "[ . 1 . 2]" 1
870 1 86 GLU HB3 1 87 TRP H . . 3.580 3.532 3.255 3.633 0.053 7 0 "[ . 1 . 2]" 1
871 1 86 GLU HB3 1 87 TRP HA . . 4.290 4.226 4.108 4.292 0.002 15 0 "[ . 1 . 2]" 1
872 1 87 TRP H 1 87 TRP HB3 . . 3.770 2.151 2.066 2.226 . 0 0 "[ . 1 . 2]" 1
873 1 87 TRP H 1 87 TRP HE3 . . 4.440 4.302 4.125 4.481 0.041 6 0 "[ . 1 . 2]" 1
874 1 87 TRP HB3 1 88 LYS H . . 3.670 2.585 2.452 2.714 . 0 0 "[ . 1 . 2]" 1
875 1 87 TRP HE1 1 91 ILE MD . . 4.380 3.574 2.442 4.385 0.005 3 0 "[ . 1 . 2]" 1
876 1 87 TRP HE3 1 88 LYS H . . 4.380 3.852 3.252 4.348 . 0 0 "[ . 1 . 2]" 1
877 1 88 LYS H 1 88 LYS HB3 . . 4.190 3.533 3.511 3.540 . 0 0 "[ . 1 . 2]" 1
878 1 88 LYS H 1 88 LYS HG3 . . 3.690 2.312 1.945 3.716 0.026 18 0 "[ . 1 . 2]" 1
879 1 88 LYS H 1 89 SER H . . 3.580 2.707 2.598 2.879 . 0 0 "[ . 1 . 2]" 1
880 1 88 LYS HA 1 88 LYS HG3 . . 3.940 3.076 2.378 3.503 . 0 0 "[ . 1 . 2]" 1
881 1 88 LYS HA 1 91 ILE MD . . 4.080 3.282 2.053 4.078 . 0 0 "[ . 1 . 2]" 1
882 1 88 LYS HG3 2 8 PHE QD . . 5.100 4.340 3.248 4.952 . 0 0 "[ . 1 . 2]" 1
883 1 91 ILE H 1 91 ILE HB . . 4.020 2.299 2.023 2.469 . 0 0 "[ . 1 . 2]" 1
884 1 91 ILE H 1 91 ILE MD . . 4.270 3.121 1.822 3.877 . 0 0 "[ . 1 . 2]" 1
885 1 91 ILE H 1 91 ILE MG . . 3.720 3.593 2.821 3.724 0.004 17 0 "[ . 1 . 2]" 1
886 1 91 ILE HA 1 91 ILE MD . . 3.970 2.373 1.924 3.753 . 0 0 "[ . 1 . 2]" 1
887 1 91 ILE HA 1 91 ILE MG . . 3.120 2.566 2.316 3.106 . 0 0 "[ . 1 . 2]" 1
888 1 91 ILE HA 1 92 ALA MB . . 4.980 4.855 4.238 4.982 0.002 14 0 "[ . 1 . 2]" 1
889 1 91 ILE HB 1 91 ILE MD . . 3.530 2.812 2.101 3.215 . 0 0 "[ . 1 . 2]" 1
890 1 91 ILE HB 1 92 ALA H . . 4.220 2.887 2.280 3.432 . 0 0 "[ . 1 . 2]" 1
891 1 91 ILE HB 1 92 ALA HA . . 5.330 4.827 4.476 5.380 0.050 1 0 "[ . 1 . 2]" 1
892 1 91 ILE MD 1 91 ILE MG . . 3.260 2.330 1.850 3.244 . 0 0 "[ . 1 . 2]" 1
893 1 91 ILE MG 1 92 ALA H . . 3.690 3.172 1.897 3.684 . 0 0 "[ . 1 . 2]" 1
894 1 91 ILE MG 1 92 ALA HA . . 3.870 3.509 2.770 3.871 0.001 2 0 "[ . 1 . 2]" 1
895 1 91 ILE MG 1 92 ALA MB . . 3.690 3.275 2.062 3.707 0.017 4 0 "[ . 1 . 2]" 1
896 1 92 ALA H 1 92 ALA MB . . 3.070 2.256 1.963 2.747 . 0 0 "[ . 1 . 2]" 1
897 1 92 ALA HA 1 93 ARG H . . 3.610 2.368 2.186 3.009 . 0 0 "[ . 1 . 2]" 1
898 1 93 ARG HA 1 93 ARG HG3 . . 4.130 3.558 2.966 4.278 0.148 16 0 "[ . 1 . 2]" 1
899 1 94 TYR HA 1 94 TYR QD . . 4.030 3.005 2.002 3.773 . 0 0 "[ . 1 . 2]" 1
900 1 94 TYR QD 1 95 LYS H . . 4.690 4.009 2.807 4.644 . 0 0 "[ . 1 . 2]" 1
901 1 95 LYS H 1 95 LYS HB3 . . 3.840 2.825 2.179 3.573 . 0 0 "[ . 1 . 2]" 1
902 1 95 LYS HA 1 96 ALA H . . 3.600 2.341 2.176 2.860 . 0 0 "[ . 1 . 2]" 1
903 1 96 ALA H 1 96 ALA MB . . 3.200 2.356 1.956 2.922 . 0 0 "[ . 1 . 2]" 1
904 1 96 ALA MB 1 97 SER H . . 3.580 2.473 1.926 3.555 . 0 0 "[ . 1 . 2]" 1
905 1 96 ALA MB 1 97 SER HA . . 4.050 3.906 3.628 4.053 0.003 12 0 "[ . 1 . 2]" 1
906 1 97 SER HA 1 98 ASN H . . 3.600 2.617 2.217 3.619 0.019 8 0 "[ . 1 . 2]" 1
907 1 97 SER HA 1 98 ASN HA . . 4.540 4.416 4.261 4.536 . 0 0 "[ . 1 . 2]" 1
908 1 98 ASN H 1 98 ASN HB3 . . 4.150 2.759 2.269 3.415 . 0 0 "[ . 1 . 2]" 1
909 1 98 ASN H 1 99 ILE MD . . 4.570 3.837 2.743 4.574 0.004 19 0 "[ . 1 . 2]" 1
910 1 98 ASN HA 1 98 ASN QD . . 3.980 2.949 1.951 3.812 . 0 0 "[ . 1 . 2]" 1
911 1 98 ASN HA 1 99 ILE H . . 3.210 2.558 2.253 3.341 0.131 3 0 "[ . 1 . 2]" 1
912 1 98 ASN QD 1 99 ILE MG . . 5.340 4.734 4.237 5.320 . 0 0 "[ . 1 . 2]" 1
913 1 98 ASN HD21 1 99 ILE H . . 3.530 2.557 1.910 3.503 . 0 0 "[ . 1 . 2]" 1
914 1 98 ASN HD22 1 99 ILE H . . 3.530 3.171 2.340 3.573 0.043 11 0 "[ . 1 . 2]" 1
915 1 99 ILE H 1 99 ILE HB . . 3.090 2.628 2.154 3.118 0.028 11 0 "[ . 1 . 2]" 1
916 1 99 ILE H 1 99 ILE MD . . 4.250 2.821 1.803 4.258 0.008 19 0 "[ . 1 . 2]" 1
917 1 99 ILE H 1 99 ILE MG . . 4.100 3.818 3.574 4.005 . 0 0 "[ . 1 . 2]" 1
918 1 99 ILE HA 1 99 ILE MD . . 3.450 2.923 1.947 3.511 0.061 19 0 "[ . 1 . 2]" 1
919 1 99 ILE HA 1 99 ILE HG13 . . 3.960 2.828 2.100 3.847 . 0 0 "[ . 1 . 2]" 1
920 1 99 ILE HA 1 99 ILE MG . . 3.040 2.397 2.190 2.632 . 0 0 "[ . 1 . 2]" 1
921 1 99 ILE HA 1 100 SER H . . 2.940 2.310 2.180 2.452 . 0 0 "[ . 1 . 2]" 1
922 1 99 ILE HB 1 99 ILE MD . . 3.510 2.443 1.976 3.211 . 0 0 "[ . 1 . 2]" 1
923 1 102 GLY H 1 102 GLY QA . . 2.770 2.262 2.152 2.497 . 0 0 "[ . 1 . 2]" 1
924 1 102 GLY QA 1 103 SER H . . 3.020 2.313 2.169 2.696 . 0 0 "[ . 1 . 2]" 1
925 1 103 SER HA 1 104 VAL QG . . 4.430 3.666 2.976 4.426 . 0 0 "[ . 1 . 2]" 1
926 1 104 VAL H 1 104 VAL HB . . 3.920 3.051 2.254 3.837 . 0 0 "[ . 1 . 2]" 1
927 1 104 VAL H 1 104 VAL MG1 . . 4.390 2.938 1.991 3.954 . 0 0 "[ . 1 . 2]" 1
928 1 104 VAL H 1 104 VAL QG . . 3.650 2.352 1.983 2.876 . 0 0 "[ . 1 . 2]" 1
929 1 104 VAL H 1 104 VAL MG2 . . 4.390 3.153 2.172 4.006 . 0 0 "[ . 1 . 2]" 1
930 1 104 VAL HA 1 105 GLU H . . 3.050 2.390 2.183 2.817 . 0 0 "[ . 1 . 2]" 1
931 1 104 VAL HB 1 105 GLU H . . 4.600 3.864 2.062 4.545 . 0 0 "[ . 1 . 2]" 1
932 1 104 VAL QG 1 105 GLU H . . 4.550 2.742 1.878 3.798 . 0 0 "[ . 1 . 2]" 1
933 1 104 VAL MG1 1 105 GLU H . . 5.190 3.574 1.881 4.284 . 0 0 "[ . 1 . 2]" 1
934 1 104 VAL MG2 1 105 GLU H . . 5.190 3.191 2.046 4.352 . 0 0 "[ . 1 . 2]" 1
935 2 4 ALA MB 2 5 ASN HA . . 4.400 4.080 3.897 4.396 . 0 0 "[ . 1 . 2]" 1
936 2 5 ASN HA 2 5 ASN QD . . 4.150 3.500 2.344 4.115 . 0 0 "[ . 1 . 2]" 1
937 2 6 GLY QA 2 9 ILE MD . . 4.130 2.654 1.776 3.903 . 0 0 "[ . 1 . 2]" 1
938 2 7 LYS H 2 7 LYS HB3 . . 3.880 3.265 2.488 3.819 . 0 0 "[ . 1 . 2]" 1
939 2 7 LYS H 2 9 ILE MD . . 5.230 3.713 2.143 5.216 . 0 0 "[ . 1 . 2]" 1
940 2 7 LYS HA 2 8 PHE H . . 3.530 3.282 2.281 3.617 0.087 13 0 "[ . 1 . 2]" 1
941 2 7 LYS HA 2 8 PHE HA . . 4.650 4.561 4.369 4.653 0.003 5 0 "[ . 1 . 2]" 1
942 2 7 LYS HA 2 9 ILE H . . 4.150 3.541 3.194 3.951 . 0 0 "[ . 1 . 2]" 1
943 2 7 LYS HB3 2 8 PHE H . . 4.420 3.764 2.981 4.386 . 0 0 "[ . 1 . 2]" 1
944 2 8 PHE H 2 9 ILE MD . . 4.570 3.326 2.423 4.578 0.008 16 0 "[ . 1 . 2]" 1
945 2 8 PHE HA 2 8 PHE QD . . 4.170 2.184 1.995 3.056 . 0 0 "[ . 1 . 2]" 1
946 2 9 ILE H 2 9 ILE HB . . 3.670 2.438 2.046 2.808 . 0 0 "[ . 1 . 2]" 1
947 2 9 ILE H 2 9 ILE MD . . 3.880 2.699 2.017 3.575 . 0 0 "[ . 1 . 2]" 1
948 2 9 ILE H 2 9 ILE HG13 . . 4.310 3.745 3.189 4.348 0.038 4 0 "[ . 1 . 2]" 1
949 2 9 ILE H 2 9 ILE MG . . 3.890 3.671 3.419 3.794 . 0 0 "[ . 1 . 2]" 1
950 2 9 ILE HA 2 9 ILE MD . . 3.380 2.122 1.886 2.812 . 0 0 "[ . 1 . 2]" 1
951 2 9 ILE HA 2 9 ILE MG . . 3.420 2.450 2.077 2.766 . 0 0 "[ . 1 . 2]" 1
952 2 9 ILE HA 2 10 PRO HB3 . . 4.970 4.954 4.951 4.960 . 0 0 "[ . 1 . 2]" 1
953 2 9 ILE HA 2 10 PRO HD3 . . 3.730 1.918 1.910 1.930 . 0 0 "[ . 1 . 2]" 1
954 2 9 ILE HB 2 9 ILE MD . . 3.550 2.950 2.171 3.215 . 0 0 "[ . 1 . 2]" 1
955 2 9 ILE HG13 2 9 ILE MG . . 3.370 2.385 2.244 2.646 . 0 0 "[ . 1 . 2]" 1
956 2 9 ILE MG 2 10 PRO HB3 . . 5.200 4.845 4.691 5.072 . 0 0 "[ . 1 . 2]" 1
957 2 9 ILE MG 2 10 PRO HD3 . . 3.650 2.919 2.570 3.226 . 0 0 "[ . 1 . 2]" 1
958 2 10 PRO HA 2 12 ARG H . . 4.860 4.318 3.796 4.858 . 0 0 "[ . 1 . 2]" 1
959 2 11 SER H 2 12 ARG H . . 3.890 2.296 1.903 2.979 . 0 0 "[ . 1 . 2]" 1
960 2 12 ARG H 2 12 ARG HG3 . . 4.380 3.354 1.989 4.398 0.018 8 0 "[ . 1 . 2]" 1
961 2 12 ARG HA 2 13 PRO HD3 . . 3.480 2.104 1.953 2.240 . 0 0 "[ . 1 . 2]" 1
962 2 13 PRO HA 2 14 ALA MB . . 4.420 4.115 3.935 4.324 . 0 0 "[ . 1 . 2]" 1
963 2 13 PRO HB3 2 14 ALA H . . 4.420 3.672 3.127 4.351 . 0 0 "[ . 1 . 2]" 1
964 2 14 ALA H 2 14 ALA MB . . 3.380 2.517 1.950 2.995 . 0 0 "[ . 1 . 2]" 1
965 2 14 ALA HA 2 15 PRO HG3 . . 4.400 4.189 4.185 4.197 . 0 0 "[ . 1 . 2]" 1
966 2 15 PRO HA 2 16 LYS H . . 2.970 2.740 2.469 2.798 . 0 0 "[ . 1 . 2]" 1
967 2 15 PRO HB3 2 16 LYS H . . 3.970 3.131 3.093 3.359 . 0 0 "[ . 1 . 2]" 1
968 2 16 LYS H 2 16 LYS HB3 . . 4.080 3.483 2.978 3.910 . 0 0 "[ . 1 . 2]" 1
969 2 16 LYS HA 2 16 LYS HG3 . . 4.260 3.743 2.264 4.256 . 0 0 "[ . 1 . 2]" 1
970 2 16 LYS HA 2 17 PRO HA . . 4.510 4.440 4.382 4.462 . 0 0 "[ . 1 . 2]" 1
971 2 16 LYS HA 2 17 PRO HG3 . . 4.560 4.393 4.235 4.461 . 0 0 "[ . 1 . 2]" 1
972 2 17 PRO HA 2 18 PRO HD3 . . 3.520 2.040 1.947 2.134 . 0 0 "[ . 1 . 2]" 1
973 2 17 PRO HA 2 18 PRO HG3 . . 4.320 4.287 4.205 4.368 0.048 14 0 "[ . 1 . 2]" 1
974 2 17 PRO HB3 2 18 PRO HD3 . . 4.530 3.442 3.218 3.749 . 0 0 "[ . 1 . 2]" 1
975 2 18 PRO HA 2 19 SER H . . 3.480 3.024 2.149 3.531 0.051 14 0 "[ . 1 . 2]" 1
976 2 18 PRO HB3 2 19 SER H . . 4.080 3.566 3.089 4.120 0.040 2 0 "[ . 1 . 2]" 1
977 2 21 ALA MB 2 22 SER H . . 4.180 3.088 2.079 3.792 . 0 0 "[ . 1 . 2]" 1
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