NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
414814 |
2d1u   |
6803 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2d1u
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 1392
_Distance_constraint_stats_list.Viol_count 1529
_Distance_constraint_stats_list.Viol_total 1340.620
_Distance_constraint_stats_list.Viol_max 0.516
_Distance_constraint_stats_list.Viol_rms 0.0162
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0438
_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 1 ALA 0.168 0.058 10 0 "[ . 1 . 2]"
1 2 GLN 0.350 0.076 10 0 "[ . 1 . 2]"
1 3 VAL 0.668 0.062 15 0 "[ . 1 . 2]"
1 4 ASN 0.372 0.049 5 0 "[ . 1 . 2]"
1 5 ILE 0.839 0.046 5 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PRO 1.188 0.109 11 0 "[ . 1 . 2]"
1 8 GLY 0.411 0.046 19 0 "[ . 1 . 2]"
1 9 SER 2.191 0.250 3 0 "[ . 1 . 2]"
1 10 LEU 0.419 0.091 18 0 "[ . 1 . 2]"
1 11 ASP 0.142 0.041 13 0 "[ . 1 . 2]"
1 12 LYS 5.086 0.250 3 0 "[ . 1 . 2]"
1 13 ALA 1.021 0.086 4 0 "[ . 1 . 2]"
1 14 LEU 1.702 0.220 10 0 "[ . 1 . 2]"
1 15 ASN 3.634 0.220 10 0 "[ . 1 . 2]"
1 16 GLN 0.655 0.079 11 0 "[ . 1 . 2]"
1 17 TYR 1.862 0.094 15 0 "[ . 1 . 2]"
1 18 ALA 2.402 0.130 9 0 "[ . 1 . 2]"
1 19 ALA 1.979 0.193 20 0 "[ . 1 . 2]"
1 20 HIS 3.879 0.193 20 0 "[ . 1 . 2]"
1 21 SER 0.911 0.090 14 0 "[ . 1 . 2]"
1 22 GLY 0.012 0.012 12 0 "[ . 1 . 2]"
1 23 PHE 2.545 0.096 3 0 "[ . 1 . 2]"
1 24 THR 3.028 0.096 3 0 "[ . 1 . 2]"
1 25 LEU 0.608 0.122 12 0 "[ . 1 . 2]"
1 26 SER 1.473 0.156 12 0 "[ . 1 . 2]"
1 27 VAL 0.007 0.007 4 0 "[ . 1 . 2]"
1 28 ASP 0.106 0.058 2 0 "[ . 1 . 2]"
1 29 ALA 0.113 0.058 2 0 "[ . 1 . 2]"
1 30 SER 0.099 0.036 20 0 "[ . 1 . 2]"
1 31 LEU 0.120 0.056 10 0 "[ . 1 . 2]"
1 32 THR 0.579 0.124 19 0 "[ . 1 . 2]"
1 33 ARG 1.678 0.256 1 0 "[ . 1 . 2]"
1 34 GLY 0.524 0.248 19 0 "[ . 1 . 2]"
1 35 LYS 1.795 0.303 12 0 "[ . 1 . 2]"
1 36 GLN 1.593 0.303 12 0 "[ . 1 . 2]"
1 37 SER 2.305 0.121 9 0 "[ . 1 . 2]"
1 38 ASN 0.179 0.040 14 0 "[ . 1 . 2]"
1 39 GLY 5.298 0.333 18 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 HIS 0.933 0.049 5 0 "[ . 1 . 2]"
1 42 GLY 0.778 0.062 17 0 "[ . 1 . 2]"
1 43 ASP 0.880 0.076 10 0 "[ . 1 . 2]"
1 44 TYR 3.440 0.102 15 0 "[ . 1 . 2]"
1 45 ASP 0.064 0.032 16 0 "[ . 1 . 2]"
1 46 VAL 0.371 0.034 10 0 "[ . 1 . 2]"
1 47 GLU 2.978 0.112 16 0 "[ . 1 . 2]"
1 48 SER 0.892 0.070 10 0 "[ . 1 . 2]"
1 49 GLY 1.883 0.102 15 0 "[ . 1 . 2]"
1 50 LEU 2.349 0.112 16 0 "[ . 1 . 2]"
1 51 GLN 0.987 0.050 9 0 "[ . 1 . 2]"
1 52 GLN 2.528 0.092 16 0 "[ . 1 . 2]"
1 53 LEU 4.721 0.333 18 0 "[ . 1 . 2]"
1 54 LEU 0.647 0.056 20 0 "[ . 1 . 2]"
1 55 ASP 1.254 0.131 4 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.137 0.028 20 0 "[ . 1 . 2]"
1 58 GLY 0.234 0.034 11 0 "[ . 1 . 2]"
1 59 LEU 0.568 0.083 7 0 "[ . 1 . 2]"
1 60 GLN 1.196 0.195 13 0 "[ . 1 . 2]"
1 61 VAL 0.814 0.119 16 0 "[ . 1 . 2]"
1 62 LYS 0.310 0.054 13 0 "[ . 1 . 2]"
1 63 PRO 1.699 0.106 1 0 "[ . 1 . 2]"
1 64 LEU 3.965 0.198 15 0 "[ . 1 . 2]"
1 65 GLY 2.329 0.516 19 1 "[ . 1 . +2]"
1 66 ASN 6.801 0.516 19 1 "[ . 1 . +2]"
1 67 ASN 3.470 0.342 3 0 "[ . 1 . 2]"
1 68 SER 4.417 0.419 20 0 "[ . 1 . 2]"
1 69 TRP 7.552 0.210 1 0 "[ . 1 . 2]"
1 70 THR 2.314 0.079 3 0 "[ . 1 . 2]"
1 71 LEU 0.751 0.119 16 0 "[ . 1 . 2]"
1 72 GLU 0.521 0.195 13 0 "[ . 1 . 2]"
1 73 PRO 0.069 0.036 8 0 "[ . 1 . 2]"
1 74 ALA 0.727 0.164 7 0 "[ . 1 . 2]"
1 75 PRO 0.935 0.164 7 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PRO 2.492 0.102 2 0 "[ . 1 . 2]"
1 78 LYS 3.689 0.338 4 0 "[ . 1 . 2]"
1 79 GLU 1.130 0.338 4 0 "[ . 1 . 2]"
1 80 ASP 0.020 0.013 14 0 "[ . 1 . 2]"
1 81 ALA 0.020 0.013 14 0 "[ . 1 . 2]"
1 82 LEU 0.003 0.002 3 0 "[ . 1 . 2]"
1 83 THR 0.210 0.206 13 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.067 0.020 8 0 "[ . 1 . 2]"
1 86 GLY 0.067 0.020 8 0 "[ . 1 . 2]"
1 87 ASP 0.053 0.029 8 0 "[ . 1 . 2]"
1 88 TRP 1.010 0.245 15 0 "[ . 1 . 2]"
1 89 LEU 0.055 0.055 9 0 "[ . 1 . 2]"
1 90 GLY 0.324 0.055 9 0 "[ . 1 . 2]"
1 91 ASP 0.067 0.034 2 0 "[ . 1 . 2]"
1 92 ALA 0.008 0.004 2 0 "[ . 1 . 2]"
1 93 ARG 0.017 0.017 16 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASN 0.113 0.059 16 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 HIS 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 1 ALA HA 1 2 GLN H . . 3.050 2.587 2.159 2.994 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 2 GLN HB2 . . 5.500 4.960 4.350 5.501 0.001 5 0 "[ . 1 . 2]" 1
3 1 1 ALA HA 1 2 GLN HB3 . . 5.500 4.954 4.488 5.515 0.015 10 0 "[ . 1 . 2]" 1
4 1 1 ALA HA 1 43 ASP HA . . 4.710 4.528 4.125 4.739 0.029 10 0 "[ . 1 . 2]" 1
5 1 1 ALA HA 1 43 ASP QB . . 5.340 4.363 3.739 5.122 . 0 0 "[ . 1 . 2]" 1
6 1 1 ALA HA 1 44 TYR H . . 5.500 5.000 4.703 5.504 0.004 16 0 "[ . 1 . 2]" 1
7 1 1 ALA MB 1 2 GLN H . . 3.610 3.568 3.418 3.668 0.058 10 0 "[ . 1 . 2]" 1
8 1 1 ALA MB 1 2 GLN HA . . 5.020 4.383 4.202 4.598 . 0 0 "[ . 1 . 2]" 1
9 1 1 ALA MB 1 3 VAL H . . 5.090 4.965 4.874 5.055 . 0 0 "[ . 1 . 2]" 1
10 1 1 ALA MB 1 43 ASP HA . . 4.340 3.580 2.967 4.215 . 0 0 "[ . 1 . 2]" 1
11 1 1 ALA MB 1 44 TYR H . . 4.340 3.140 2.367 3.751 . 0 0 "[ . 1 . 2]" 1
12 1 1 ALA MB 1 44 TYR HA . . 5.330 4.525 3.748 5.259 . 0 0 "[ . 1 . 2]" 1
13 1 1 ALA MB 1 45 ASP H . . 5.500 4.503 3.782 5.171 . 0 0 "[ . 1 . 2]" 1
14 1 1 ALA MB 1 45 ASP HA . . 4.990 3.350 2.843 3.827 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLN H 1 2 GLN HB2 . . 3.770 2.399 2.096 2.599 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLN H 1 2 GLN QB . . 3.120 2.198 2.064 2.249 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLN H 1 2 GLN HB3 . . 3.770 2.680 2.448 3.101 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLN H 1 2 GLN HG2 . . 5.130 4.393 3.993 4.600 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLN H 1 2 GLN QG . . 4.340 3.910 3.618 4.017 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLN H 1 2 GLN HG3 . . 5.130 4.403 3.988 4.572 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLN H 1 43 ASP HA . . 3.820 3.546 3.274 3.828 0.008 16 0 "[ . 1 . 2]" 1
22 1 2 GLN H 1 44 TYR H . . 5.500 5.009 4.725 5.360 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLN HA 1 2 GLN QB . . 2.570 2.395 2.312 2.524 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLN HA 1 2 GLN QG . . 3.400 2.571 2.050 3.023 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLN HA 1 3 VAL H . . 2.810 2.142 2.139 2.149 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLN HA 1 43 ASP HA . . 3.150 2.092 1.980 2.189 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLN HA 1 43 ASP QB . . 4.090 3.168 2.833 3.716 . 0 0 "[ . 1 . 2]" 1
28 1 2 GLN HA 1 44 TYR H . . 3.910 3.767 3.493 3.927 0.017 4 0 "[ . 1 . 2]" 1
29 1 2 GLN QB 1 2 GLN QG . . 2.300 2.011 1.999 2.032 . 0 0 "[ . 1 . 2]" 1
30 1 2 GLN QB 1 3 VAL H . . 4.400 3.770 3.619 3.819 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLN QB 1 43 ASP HA . . 4.130 3.868 3.644 4.134 0.004 7 0 "[ . 1 . 2]" 1
32 1 2 GLN HB2 1 2 GLN HE22 . . 5.500 4.956 4.596 5.342 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLN HB2 1 3 VAL H . . 5.090 4.341 4.221 4.490 . 0 0 "[ . 1 . 2]" 1
34 1 2 GLN HB3 1 2 GLN HE22 . . 5.500 4.734 3.714 5.340 . 0 0 "[ . 1 . 2]" 1
35 1 2 GLN HB3 1 3 VAL H . . 5.090 4.164 3.817 4.334 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLN QE 1 3 VAL H . . 4.450 3.212 2.566 4.070 . 0 0 "[ . 1 . 2]" 1
37 1 2 GLN QE 1 4 ASN H . . 5.240 3.663 2.419 4.231 . 0 0 "[ . 1 . 2]" 1
38 1 2 GLN QE 1 4 ASN QB . . 5.130 2.473 1.911 2.998 . 0 0 "[ . 1 . 2]" 1
39 1 2 GLN QE 1 42 GLY H . . 4.400 2.211 1.855 3.561 . 0 0 "[ . 1 . 2]" 1
40 1 2 GLN QE 1 42 GLY QA . . 4.630 2.642 1.975 3.844 . 0 0 "[ . 1 . 2]" 1
41 1 2 GLN QE 1 43 ASP H . . 5.340 4.788 4.346 5.416 0.076 10 0 "[ . 1 . 2]" 1
42 1 2 GLN HE21 1 3 VAL HA . . 5.500 4.453 3.260 5.535 0.035 10 0 "[ . 1 . 2]" 1
43 1 2 GLN HE22 1 3 VAL HA . . 5.500 4.942 3.382 5.507 0.007 5 0 "[ . 1 . 2]" 1
44 1 2 GLN QG 1 3 VAL H . . 3.580 3.144 2.890 3.629 0.049 10 0 "[ . 1 . 2]" 1
45 1 3 VAL H 1 3 VAL HB . . 3.260 2.761 2.692 2.809 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL H 1 3 VAL MG2 . . 3.500 2.982 2.848 3.039 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL H 1 41 HIS HA . . 4.950 4.605 4.449 4.754 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL H 1 42 GLY H . . 3.040 2.870 2.731 2.994 . 0 0 "[ . 1 . 2]" 1
49 1 3 VAL H 1 43 ASP H . . 4.690 4.581 4.335 4.692 0.002 17 0 "[ . 1 . 2]" 1
50 1 3 VAL H 1 43 ASP HA . . 3.710 3.235 3.004 3.337 . 0 0 "[ . 1 . 2]" 1
51 1 3 VAL H 1 44 TYR HE2 . . 5.500 5.524 5.479 5.562 0.062 15 0 "[ . 1 . 2]" 1
52 1 3 VAL HA 1 4 ASN H . . 2.810 2.142 2.141 2.144 . 0 0 "[ . 1 . 2]" 1
53 1 3 VAL HB 1 4 ASN H . . 4.390 4.270 4.235 4.309 . 0 0 "[ . 1 . 2]" 1
54 1 3 VAL HB 1 40 LEU MD1 . . 5.500 4.207 4.158 4.246 . 0 0 "[ . 1 . 2]" 1
55 1 3 VAL HB 1 40 LEU HG . . 3.670 3.122 2.989 3.226 . 0 0 "[ . 1 . 2]" 1
56 1 3 VAL HB 1 42 GLY H . . 4.590 4.554 4.395 4.604 0.014 16 0 "[ . 1 . 2]" 1
57 1 3 VAL HB 1 44 TYR H . . 5.350 4.130 3.769 4.487 . 0 0 "[ . 1 . 2]" 1
58 1 3 VAL HB 1 49 GLY HA3 . . 5.500 4.979 4.592 5.250 . 0 0 "[ . 1 . 2]" 1
59 1 3 VAL MG1 1 4 ASN H . . 3.450 2.773 2.520 2.929 . 0 0 "[ . 1 . 2]" 1
60 1 3 VAL MG1 1 40 LEU HB2 . . 5.500 3.720 3.487 3.900 . 0 0 "[ . 1 . 2]" 1
61 1 3 VAL MG1 1 40 LEU HB3 . . 3.970 2.585 2.402 2.799 . 0 0 "[ . 1 . 2]" 1
62 1 4 ASN H 1 4 ASN HB2 . . 3.900 3.567 3.283 3.734 . 0 0 "[ . 1 . 2]" 1
63 1 4 ASN H 1 4 ASN QB . . 3.310 2.945 2.390 3.095 . 0 0 "[ . 1 . 2]" 1
64 1 4 ASN H 1 4 ASN HB3 . . 3.900 3.159 2.451 3.358 . 0 0 "[ . 1 . 2]" 1
65 1 4 ASN H 1 4 ASN QD . . 5.340 3.308 2.261 4.687 . 0 0 "[ . 1 . 2]" 1
66 1 4 ASN H 1 41 HIS HA . . 5.120 4.921 4.832 4.977 . 0 0 "[ . 1 . 2]" 1
67 1 4 ASN HA 1 5 ILE H . . 2.860 2.146 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
68 1 4 ASN HA 1 40 LEU H . . 5.220 4.303 4.065 4.624 . 0 0 "[ . 1 . 2]" 1
69 1 4 ASN HA 1 41 HIS H . . 5.120 4.398 4.200 4.520 . 0 0 "[ . 1 . 2]" 1
70 1 4 ASN HA 1 41 HIS HA . . 3.100 2.542 2.440 2.620 . 0 0 "[ . 1 . 2]" 1
71 1 4 ASN HA 1 41 HIS HB2 . . 4.440 4.432 4.279 4.468 0.028 3 0 "[ . 1 . 2]" 1
72 1 4 ASN HA 1 41 HIS HB3 . . 5.350 5.281 5.175 5.351 0.001 20 0 "[ . 1 . 2]" 1
73 1 4 ASN HA 1 41 HIS HD2 . . 4.340 3.247 2.293 4.004 . 0 0 "[ . 1 . 2]" 1
74 1 4 ASN HA 1 42 GLY H . . 4.160 3.719 3.589 3.865 . 0 0 "[ . 1 . 2]" 1
75 1 4 ASN QB 1 5 ILE H . . 3.960 3.520 3.376 3.914 . 0 0 "[ . 1 . 2]" 1
76 1 4 ASN QB 1 41 HIS HA . . 4.420 3.107 2.915 3.212 . 0 0 "[ . 1 . 2]" 1
77 1 4 ASN QB 1 41 HIS HB2 . . 4.860 4.856 4.733 4.909 0.049 5 0 "[ . 1 . 2]" 1
78 1 4 ASN QB 1 41 HIS HB3 . . 5.340 5.302 5.171 5.360 0.020 20 0 "[ . 1 . 2]" 1
79 1 4 ASN QB 1 41 HIS HD2 . . 4.680 2.738 2.141 3.762 . 0 0 "[ . 1 . 2]" 1
80 1 4 ASN HB2 1 5 ILE H . . 4.570 3.762 3.533 4.292 . 0 0 "[ . 1 . 2]" 1
81 1 4 ASN HB2 1 41 HIS HA . . 5.020 4.051 2.951 4.463 . 0 0 "[ . 1 . 2]" 1
82 1 4 ASN HB2 1 41 HIS HD2 . . 5.500 3.153 2.448 4.078 . 0 0 "[ . 1 . 2]" 1
83 1 4 ASN HB3 1 5 ILE H . . 4.570 4.247 4.127 4.515 . 0 0 "[ . 1 . 2]" 1
84 1 4 ASN HB3 1 41 HIS HA . . 5.020 3.499 3.146 4.592 . 0 0 "[ . 1 . 2]" 1
85 1 4 ASN HB3 1 41 HIS HD2 . . 5.500 3.277 2.266 5.135 . 0 0 "[ . 1 . 2]" 1
86 1 4 ASN QD 1 5 ILE H . . 5.340 4.797 2.985 5.341 0.001 13 0 "[ . 1 . 2]" 1
87 1 5 ILE H 1 5 ILE HB . . 3.580 2.680 2.603 2.737 . 0 0 "[ . 1 . 2]" 1
88 1 5 ILE H 1 5 ILE MD . . 5.360 3.755 3.577 3.856 . 0 0 "[ . 1 . 2]" 1
89 1 5 ILE H 1 5 ILE HG13 . . 3.480 2.806 2.708 2.925 . 0 0 "[ . 1 . 2]" 1
90 1 5 ILE H 1 5 ILE MG . . 4.680 3.867 3.834 3.893 . 0 0 "[ . 1 . 2]" 1
91 1 5 ILE H 1 6 ALA H . . 4.610 4.413 4.379 4.464 . 0 0 "[ . 1 . 2]" 1
92 1 5 ILE H 1 40 LEU H . . 3.600 2.505 2.298 2.805 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE H 1 40 LEU HB3 . . 3.880 2.909 2.713 3.034 . 0 0 "[ . 1 . 2]" 1
94 1 5 ILE H 1 41 HIS HA . . 4.120 3.990 3.913 4.074 . 0 0 "[ . 1 . 2]" 1
95 1 5 ILE H 1 41 HIS HB2 . . 4.760 4.788 4.754 4.805 0.045 6 0 "[ . 1 . 2]" 1
96 1 5 ILE H 1 41 HIS HD2 . . 5.500 4.171 3.444 5.487 . 0 0 "[ . 1 . 2]" 1
97 1 5 ILE HA 1 5 ILE MD . . 4.610 3.892 3.879 3.908 . 0 0 "[ . 1 . 2]" 1
98 1 5 ILE HA 1 5 ILE HG12 . . 4.150 2.727 2.657 2.770 . 0 0 "[ . 1 . 2]" 1
99 1 5 ILE HA 1 5 ILE MG . . 3.470 2.329 2.270 2.384 . 0 0 "[ . 1 . 2]" 1
100 1 5 ILE HA 1 6 ALA H . . 2.860 2.189 2.171 2.203 . 0 0 "[ . 1 . 2]" 1
101 1 5 ILE HA 1 6 ALA MB . . 4.160 3.935 3.893 3.979 . 0 0 "[ . 1 . 2]" 1
102 1 5 ILE HB 1 39 GLY HA2 . . 4.630 3.113 2.891 3.361 . 0 0 "[ . 1 . 2]" 1
103 1 5 ILE HB 1 39 GLY HA3 . . 4.520 3.353 3.070 3.670 . 0 0 "[ . 1 . 2]" 1
104 1 5 ILE HB 1 40 LEU H . . 3.560 1.904 1.885 1.921 . 0 0 "[ . 1 . 2]" 1
105 1 5 ILE HB 1 53 LEU MD1 . . 5.500 2.864 2.497 3.253 . 0 0 "[ . 1 . 2]" 1
106 1 5 ILE MD 1 5 ILE MG . . 3.870 2.092 1.961 2.193 . 0 0 "[ . 1 . 2]" 1
107 1 5 ILE MD 1 13 ALA HA . . 4.240 3.402 3.096 3.804 . 0 0 "[ . 1 . 2]" 1
108 1 5 ILE MD 1 13 ALA MB . . 5.040 3.631 3.088 4.143 . 0 0 "[ . 1 . 2]" 1
109 1 5 ILE MD 1 14 LEU HA . . 5.500 5.015 4.764 5.126 . 0 0 "[ . 1 . 2]" 1
110 1 5 ILE MD 1 16 GLN H . . 4.710 4.101 3.928 4.264 . 0 0 "[ . 1 . 2]" 1
111 1 5 ILE MD 1 16 GLN HA . . 4.830 4.013 3.754 4.291 . 0 0 "[ . 1 . 2]" 1
112 1 5 ILE MD 1 16 GLN HB2 . . 3.780 2.073 1.946 2.260 . 0 0 "[ . 1 . 2]" 1
113 1 5 ILE MD 1 16 GLN HB3 . . 3.690 2.473 2.143 2.733 . 0 0 "[ . 1 . 2]" 1
114 1 5 ILE MD 1 16 GLN HG2 . . 5.050 4.441 4.233 4.669 . 0 0 "[ . 1 . 2]" 1
115 1 5 ILE MD 1 16 GLN HG3 . . 4.250 3.734 3.549 3.947 . 0 0 "[ . 1 . 2]" 1
116 1 5 ILE MD 1 17 TYR H . . 3.670 2.435 2.281 2.521 . 0 0 "[ . 1 . 2]" 1
117 1 5 ILE MD 1 17 TYR HA . . 3.730 2.363 2.198 2.542 . 0 0 "[ . 1 . 2]" 1
118 1 5 ILE MD 1 17 TYR HB2 . . 4.380 2.930 2.773 3.085 . 0 0 "[ . 1 . 2]" 1
119 1 5 ILE MD 1 17 TYR QB . . 3.810 2.187 2.005 2.288 . 0 0 "[ . 1 . 2]" 1
120 1 5 ILE MD 1 17 TYR HB3 . . 4.380 2.257 2.057 2.363 . 0 0 "[ . 1 . 2]" 1
121 1 5 ILE MD 1 17 TYR HD2 . . 4.300 3.750 3.481 3.856 . 0 0 "[ . 1 . 2]" 1
122 1 5 ILE MD 1 20 HIS QB . . 5.340 3.764 3.551 4.077 . 0 0 "[ . 1 . 2]" 1
123 1 5 ILE MD 1 20 HIS HD2 . . 5.480 3.057 2.050 3.768 . 0 0 "[ . 1 . 2]" 1
124 1 5 ILE MD 1 40 LEU H . . 4.620 3.222 3.047 3.390 . 0 0 "[ . 1 . 2]" 1
125 1 5 ILE MD 1 40 LEU HB3 . . 4.340 2.548 2.404 2.649 . 0 0 "[ . 1 . 2]" 1
126 1 5 ILE MD 1 53 LEU MD1 . . 4.790 2.507 2.117 2.814 . 0 0 "[ . 1 . 2]" 1
127 1 5 ILE MD 1 53 LEU MD2 . . 4.670 2.402 1.949 2.573 . 0 0 "[ . 1 . 2]" 1
128 1 5 ILE MD 1 53 LEU HG . . 5.390 3.568 2.952 4.149 . 0 0 "[ . 1 . 2]" 1
129 1 5 ILE HG12 1 16 GLN HB2 . . 5.290 3.036 2.761 3.336 . 0 0 "[ . 1 . 2]" 1
130 1 5 ILE HG12 1 16 GLN HB3 . . 4.940 1.983 1.972 1.995 . 0 0 "[ . 1 . 2]" 1
131 1 5 ILE HG12 1 16 GLN HG3 . . 5.090 3.947 3.757 4.102 . 0 0 "[ . 1 . 2]" 1
132 1 5 ILE HG12 1 20 HIS QB . . 5.340 5.284 5.102 5.386 0.046 5 0 "[ . 1 . 2]" 1
133 1 5 ILE HG13 1 40 LEU H . . 4.000 3.762 3.554 3.955 . 0 0 "[ . 1 . 2]" 1
134 1 5 ILE MG 1 6 ALA H . . 3.420 2.363 2.281 2.487 . 0 0 "[ . 1 . 2]" 1
135 1 5 ILE MG 1 7 PRO HA . . 4.530 3.987 3.927 4.064 . 0 0 "[ . 1 . 2]" 1
136 1 5 ILE MG 1 13 ALA H . . 5.500 4.254 3.895 4.590 . 0 0 "[ . 1 . 2]" 1
137 1 5 ILE MG 1 13 ALA HA . . 3.530 2.114 1.923 2.392 . 0 0 "[ . 1 . 2]" 1
138 1 5 ILE MG 1 13 ALA MB . . 3.740 2.783 2.389 3.102 . 0 0 "[ . 1 . 2]" 1
139 1 5 ILE MG 1 16 GLN HB2 . . 4.180 2.006 1.944 2.136 . 0 0 "[ . 1 . 2]" 1
140 1 5 ILE MG 1 16 GLN HB3 . . 4.520 2.409 2.246 2.645 . 0 0 "[ . 1 . 2]" 1
141 1 5 ILE MG 1 16 GLN HE21 . . 5.470 3.228 2.267 3.760 . 0 0 "[ . 1 . 2]" 1
142 1 5 ILE MG 1 16 GLN HE22 . . 5.500 3.514 2.943 3.711 . 0 0 "[ . 1 . 2]" 1
143 1 5 ILE MG 1 16 GLN HG2 . . 5.150 3.411 3.243 3.527 . 0 0 "[ . 1 . 2]" 1
144 1 5 ILE MG 1 16 GLN HG3 . . 4.350 2.140 1.962 2.300 . 0 0 "[ . 1 . 2]" 1
145 1 5 ILE MG 1 39 GLY HA2 . . 4.050 3.253 3.051 3.398 . 0 0 "[ . 1 . 2]" 1
146 1 5 ILE MG 1 39 GLY HA3 . . 3.950 3.472 3.213 3.789 . 0 0 "[ . 1 . 2]" 1
147 1 5 ILE MG 1 53 LEU MD1 . . 4.990 3.395 3.057 3.778 . 0 0 "[ . 1 . 2]" 1
148 1 6 ALA H 1 6 ALA MB . . 2.910 2.260 2.185 2.305 . 0 0 "[ . 1 . 2]" 1
149 1 6 ALA H 1 7 PRO HD2 . . 5.070 4.831 4.824 4.836 . 0 0 "[ . 1 . 2]" 1
150 1 6 ALA H 1 7 PRO HD3 . . 4.960 4.824 4.783 4.862 . 0 0 "[ . 1 . 2]" 1
151 1 6 ALA H 1 16 GLN HE22 . . 5.400 4.278 3.430 4.776 . 0 0 "[ . 1 . 2]" 1
152 1 6 ALA H 1 16 GLN HG3 . . 5.500 4.756 4.445 5.032 . 0 0 "[ . 1 . 2]" 1
153 1 6 ALA HA 1 7 PRO HD2 . . 3.210 2.093 2.061 2.125 . 0 0 "[ . 1 . 2]" 1
154 1 6 ALA HA 1 7 PRO HD3 . . 3.320 2.263 2.256 2.273 . 0 0 "[ . 1 . 2]" 1
155 1 6 ALA HA 1 7 PRO HG2 . . 4.780 4.268 4.243 4.293 . 0 0 "[ . 1 . 2]" 1
156 1 6 ALA HA 1 7 PRO HG3 . . 5.150 4.331 4.324 4.340 . 0 0 "[ . 1 . 2]" 1
157 1 6 ALA HA 1 39 GLY H . . 5.110 4.848 4.653 5.054 . 0 0 "[ . 1 . 2]" 1
158 1 6 ALA HA 1 39 GLY HA3 . . 4.920 3.661 3.443 3.816 . 0 0 "[ . 1 . 2]" 1
159 1 6 ALA MB 1 7 PRO HA . . 4.650 4.527 4.512 4.535 . 0 0 "[ . 1 . 2]" 1
160 1 6 ALA MB 1 7 PRO HD2 . . 3.050 2.613 2.518 2.736 . 0 0 "[ . 1 . 2]" 1
161 1 6 ALA MB 1 7 PRO HD3 . . 3.740 3.679 3.625 3.732 . 0 0 "[ . 1 . 2]" 1
162 1 6 ALA MB 1 16 GLN HE22 . . 5.500 4.601 3.980 4.869 . 0 0 "[ . 1 . 2]" 1
163 1 6 ALA MB 1 39 GLY HA3 . . 5.110 4.954 4.827 5.028 . 0 0 "[ . 1 . 2]" 1
164 1 7 PRO HA 1 8 GLY H . . 2.820 2.725 2.713 2.766 . 0 0 "[ . 1 . 2]" 1
165 1 7 PRO HA 1 9 SER H . . 3.700 3.266 3.193 3.347 . 0 0 "[ . 1 . 2]" 1
166 1 7 PRO HA 1 37 SER H . . 4.390 4.316 4.033 4.419 0.029 3 0 "[ . 1 . 2]" 1
167 1 7 PRO HA 1 38 ASN HA . . 4.690 4.401 4.131 4.730 0.040 14 0 "[ . 1 . 2]" 1
168 1 7 PRO HA 1 39 GLY HA3 . . 4.030 3.788 3.669 3.901 . 0 0 "[ . 1 . 2]" 1
169 1 7 PRO QB 1 8 GLY H . . 3.270 1.894 1.821 1.916 . 0 0 "[ . 1 . 2]" 1
170 1 7 PRO QB 1 37 SER H . . 5.300 3.949 3.641 4.229 . 0 0 "[ . 1 . 2]" 1
171 1 7 PRO QB 1 38 ASN HA . . 3.930 2.466 2.099 2.829 . 0 0 "[ . 1 . 2]" 1
172 1 7 PRO QB 1 39 GLY H . . 4.620 1.918 1.887 1.940 . 0 0 "[ . 1 . 2]" 1
173 1 7 PRO HB2 1 38 ASN HA . . 4.720 3.732 3.327 4.177 . 0 0 "[ . 1 . 2]" 1
174 1 7 PRO HB3 1 38 ASN HA . . 4.720 2.502 2.122 2.877 . 0 0 "[ . 1 . 2]" 1
175 1 7 PRO HD2 1 8 GLY H . . 5.270 5.274 5.223 5.290 0.020 6 0 "[ . 1 . 2]" 1
176 1 7 PRO HD2 1 39 GLY H . . 4.590 4.460 4.278 4.626 0.036 8 0 "[ . 1 . 2]" 1
177 1 7 PRO HD3 1 39 GLY H . . 3.950 2.897 2.695 3.081 . 0 0 "[ . 1 . 2]" 1
178 1 7 PRO HG3 1 38 ASN HA . . 4.220 3.794 3.390 4.231 0.011 6 0 "[ . 1 . 2]" 1
179 1 7 PRO HG3 1 39 GLY H . . 4.900 3.057 2.944 3.204 . 0 0 "[ . 1 . 2]" 1
180 1 7 PRO HG3 1 39 GLY HA2 . . 5.500 5.475 5.218 5.609 0.109 11 0 "[ . 1 . 2]" 1
181 1 7 PRO HG3 1 39 GLY HA3 . . 5.470 4.289 3.938 4.511 . 0 0 "[ . 1 . 2]" 1
182 1 8 GLY H 1 9 SER H . . 3.550 2.214 2.164 2.329 . 0 0 "[ . 1 . 2]" 1
183 1 8 GLY H 1 36 GLN QB . . 3.850 2.739 1.971 3.196 . 0 0 "[ . 1 . 2]" 1
184 1 8 GLY H 1 36 GLN QG . . 4.100 3.790 2.753 4.146 0.046 19 0 "[ . 1 . 2]" 1
185 1 8 GLY H 1 37 SER H . . 3.580 3.300 2.768 3.593 0.013 5 0 "[ . 1 . 2]" 1
186 1 8 GLY H 1 37 SER QB . . 5.340 5.198 4.645 5.349 0.009 2 0 "[ . 1 . 2]" 1
187 1 8 GLY H 1 39 GLY H . . 5.040 4.979 4.931 5.006 . 0 0 "[ . 1 . 2]" 1
188 1 8 GLY QA 1 9 SER H . . 3.070 2.913 2.902 2.919 . 0 0 "[ . 1 . 2]" 1
189 1 8 GLY QA 1 36 GLN QB . . 3.810 3.046 2.153 3.522 . 0 0 "[ . 1 . 2]" 1
190 1 8 GLY HA2 1 9 SER H . . 3.520 3.220 3.161 3.340 . 0 0 "[ . 1 . 2]" 1
191 1 8 GLY HA3 1 9 SER H . . 3.520 3.328 3.209 3.377 . 0 0 "[ . 1 . 2]" 1
192 1 9 SER H 1 12 LYS H . . 5.500 5.165 4.973 5.431 . 0 0 "[ . 1 . 2]" 1
193 1 9 SER H 1 12 LYS QB . . 4.860 4.229 3.729 4.888 0.028 10 0 "[ . 1 . 2]" 1
194 1 9 SER H 1 12 LYS QG . . 5.340 5.119 4.375 5.467 0.127 4 0 "[ . 1 . 2]" 1
195 1 9 SER H 1 36 GLN HA . . 4.200 3.722 3.485 4.034 . 0 0 "[ . 1 . 2]" 1
196 1 9 SER H 1 37 SER H . . 3.960 3.018 2.605 3.305 . 0 0 "[ . 1 . 2]" 1
197 1 9 SER HA 1 10 LEU H . . 3.080 2.150 2.139 2.182 . 0 0 "[ . 1 . 2]" 1
198 1 9 SER HA 1 11 ASP H . . 4.540 3.943 3.413 4.371 . 0 0 "[ . 1 . 2]" 1
199 1 9 SER HA 1 12 LYS QG . . 5.340 5.062 4.389 5.590 0.250 3 0 "[ . 1 . 2]" 1
200 1 9 SER HA 1 36 GLN HA . . 3.170 2.871 2.758 3.112 . 0 0 "[ . 1 . 2]" 1
201 1 9 SER HA 1 36 GLN QB . . 3.950 3.391 2.881 3.954 0.004 7 0 "[ . 1 . 2]" 1
202 1 9 SER QB 1 10 LEU H . . 3.610 3.554 3.303 3.701 0.091 18 0 "[ . 1 . 2]" 1
203 1 9 SER QB 1 11 ASP QB . . 5.180 3.947 3.264 4.616 . 0 0 "[ . 1 . 2]" 1
204 1 9 SER QB 1 12 LYS H . . 3.000 2.223 2.046 3.179 0.179 18 0 "[ . 1 . 2]" 1
205 1 9 SER QB 1 12 LYS QB . . 3.060 2.032 1.757 2.875 . 0 0 "[ . 1 . 2]" 1
206 1 9 SER QB 1 12 LYS QG . . 3.740 2.515 1.932 3.138 . 0 0 "[ . 1 . 2]" 1
207 1 9 SER QB 1 13 ALA H . . 4.010 3.507 3.091 4.020 0.010 14 0 "[ . 1 . 2]" 1
208 1 9 SER QB 1 36 GLN HA . . 4.850 4.791 4.682 4.880 0.030 4 0 "[ . 1 . 2]" 1
209 1 9 SER HB2 1 36 GLN HA . . 5.500 5.490 5.108 5.542 0.042 5 0 "[ . 1 . 2]" 1
210 1 9 SER HB3 1 36 GLN HA . . 5.500 5.292 5.067 5.531 0.031 18 0 "[ . 1 . 2]" 1
211 1 10 LEU H 1 10 LEU QB . . 3.540 2.204 2.146 2.246 . 0 0 "[ . 1 . 2]" 1
212 1 10 LEU H 1 10 LEU MD1 . . 5.220 4.039 1.813 4.327 . 0 0 "[ . 1 . 2]" 1
213 1 10 LEU H 1 10 LEU MD2 . . 5.450 4.135 3.886 4.288 . 0 0 "[ . 1 . 2]" 1
214 1 10 LEU H 1 10 LEU HG . . 4.750 4.362 3.886 4.482 . 0 0 "[ . 1 . 2]" 1
215 1 10 LEU H 1 11 ASP H . . 3.810 2.735 2.546 2.988 . 0 0 "[ . 1 . 2]" 1
216 1 10 LEU H 1 12 LYS H . . 4.790 4.221 3.877 4.607 . 0 0 "[ . 1 . 2]" 1
217 1 10 LEU H 1 13 ALA H . . 5.500 4.852 4.640 5.153 . 0 0 "[ . 1 . 2]" 1
218 1 10 LEU H 1 36 GLN HA . . 4.600 2.158 1.924 3.138 . 0 0 "[ . 1 . 2]" 1
219 1 10 LEU QB 1 11 ASP H . . 3.590 2.492 2.092 3.568 . 0 0 "[ . 1 . 2]" 1
220 1 10 LEU HB2 1 11 ASP H . . 4.220 3.753 3.396 4.190 . 0 0 "[ . 1 . 2]" 1
221 1 10 LEU HB3 1 11 ASP H . . 4.220 2.539 2.112 3.865 . 0 0 "[ . 1 . 2]" 1
222 1 10 LEU MD2 1 11 ASP H . . 3.320 3.037 2.741 3.224 . 0 0 "[ . 1 . 2]" 1
223 1 10 LEU MD2 1 11 ASP HA . . 2.940 2.754 2.126 2.894 . 0 0 "[ . 1 . 2]" 1
224 1 10 LEU MD2 1 11 ASP HB2 . . 4.840 4.171 3.365 4.590 . 0 0 "[ . 1 . 2]" 1
225 1 10 LEU MD2 1 11 ASP HB3 . . 4.840 4.225 2.910 4.640 . 0 0 "[ . 1 . 2]" 1
226 1 10 LEU MD2 1 12 LYS H . . 5.360 4.833 4.501 5.062 . 0 0 "[ . 1 . 2]" 1
227 1 10 LEU HG 1 11 ASP H . . 4.690 4.554 3.790 4.731 0.041 13 0 "[ . 1 . 2]" 1
228 1 11 ASP H 1 11 ASP HB2 . . 3.770 3.077 2.374 3.590 . 0 0 "[ . 1 . 2]" 1
229 1 11 ASP H 1 11 ASP QB . . 3.050 2.305 2.178 2.688 . 0 0 "[ . 1 . 2]" 1
230 1 11 ASP H 1 11 ASP HB3 . . 3.770 2.451 2.242 3.591 . 0 0 "[ . 1 . 2]" 1
231 1 11 ASP H 1 12 LYS H . . 3.050 2.739 2.599 2.839 . 0 0 "[ . 1 . 2]" 1
232 1 11 ASP H 1 13 ALA H . . 5.150 4.426 4.152 4.629 . 0 0 "[ . 1 . 2]" 1
233 1 11 ASP QB 1 12 LYS H . . 3.520 2.902 2.492 3.427 . 0 0 "[ . 1 . 2]" 1
234 1 11 ASP HB2 1 12 LYS H . . 4.190 3.804 2.568 4.132 . 0 0 "[ . 1 . 2]" 1
235 1 11 ASP HB3 1 12 LYS H . . 4.190 3.174 2.521 3.962 . 0 0 "[ . 1 . 2]" 1
236 1 12 LYS H 1 12 LYS QB . . 3.300 2.233 2.047 2.519 . 0 0 "[ . 1 . 2]" 1
237 1 12 LYS H 1 12 LYS HD2 . . 5.500 5.087 3.362 5.729 0.229 18 0 "[ . 1 . 2]" 1
238 1 12 LYS H 1 12 LYS HD3 . . 5.500 4.770 3.393 5.535 0.035 2 0 "[ . 1 . 2]" 1
239 1 12 LYS H 1 12 LYS HE2 . . 5.500 5.275 4.653 5.571 0.071 10 0 "[ . 1 . 2]" 1
240 1 12 LYS H 1 12 LYS HE3 . . 5.500 5.301 3.841 5.649 0.149 4 0 "[ . 1 . 2]" 1
241 1 12 LYS H 1 12 LYS HG2 . . 4.560 3.490 2.279 4.607 0.047 3 0 "[ . 1 . 2]" 1
242 1 12 LYS H 1 12 LYS QG . . 3.910 3.064 2.085 4.030 0.120 3 0 "[ . 1 . 2]" 1
243 1 12 LYS H 1 12 LYS HG3 . . 4.560 3.533 2.098 4.449 . 0 0 "[ . 1 . 2]" 1
244 1 12 LYS H 1 13 ALA H . . 3.250 2.765 2.635 2.867 . 0 0 "[ . 1 . 2]" 1
245 1 12 LYS H 1 13 ALA MB . . 4.550 4.348 4.234 4.463 . 0 0 "[ . 1 . 2]" 1
246 1 12 LYS H 1 14 LEU H . . 5.080 3.974 3.841 4.208 . 0 0 "[ . 1 . 2]" 1
247 1 12 LYS HA 1 15 ASN H . . 3.840 3.569 3.285 3.772 . 0 0 "[ . 1 . 2]" 1
248 1 12 LYS HA 1 15 ASN QB . . 3.340 3.222 2.497 3.415 0.075 1 0 "[ . 1 . 2]" 1
249 1 12 LYS HA 1 15 ASN QD . . 4.170 2.664 1.897 3.696 . 0 0 "[ . 1 . 2]" 1
250 1 12 LYS QB 1 13 ALA H . . 3.120 2.434 2.216 2.988 . 0 0 "[ . 1 . 2]" 1
251 1 12 LYS QB 1 13 ALA HA . . 4.800 3.976 3.705 4.636 . 0 0 "[ . 1 . 2]" 1
252 1 12 LYS QB 1 15 ASN QB . . 5.050 4.830 4.036 5.216 0.166 3 0 "[ . 1 . 2]" 1
253 1 12 LYS HB2 1 13 ALA HA . . 5.500 4.833 4.098 5.570 0.070 12 0 "[ . 1 . 2]" 1
254 1 12 LYS HB3 1 13 ALA HA . . 5.500 4.278 3.845 5.042 . 0 0 "[ . 1 . 2]" 1
255 1 12 LYS QE 1 16 GLN HE22 . . 5.340 4.240 3.500 5.350 0.010 4 0 "[ . 1 . 2]" 1
256 1 12 LYS HE2 1 16 GLN HE21 . . 5.500 3.743 2.273 5.124 . 0 0 "[ . 1 . 2]" 1
257 1 12 LYS HE3 1 16 GLN HE21 . . 5.500 4.171 2.272 5.402 . 0 0 "[ . 1 . 2]" 1
258 1 12 LYS QG 1 15 ASN QB . . 4.960 4.887 4.435 5.088 0.128 16 0 "[ . 1 . 2]" 1
259 1 12 LYS QG 1 15 ASN QD . . 5.180 4.193 2.748 5.196 0.016 4 0 "[ . 1 . 2]" 1
260 1 12 LYS QG 1 16 GLN HE21 . . 4.590 3.828 1.902 4.669 0.079 11 0 "[ . 1 . 2]" 1
261 1 12 LYS HG2 1 16 GLN HE21 . . 5.420 4.476 2.696 5.488 0.068 16 0 "[ . 1 . 2]" 1
262 1 12 LYS HG3 1 16 GLN HE21 . . 5.420 4.323 1.945 5.491 0.071 4 0 "[ . 1 . 2]" 1
263 1 13 ALA H 1 13 ALA MB . . 2.830 2.206 2.127 2.239 . 0 0 "[ . 1 . 2]" 1
264 1 13 ALA H 1 14 LEU H . . 3.430 2.753 2.578 2.843 . 0 0 "[ . 1 . 2]" 1
265 1 13 ALA H 1 16 GLN HG2 . . 5.500 4.908 4.722 5.326 . 0 0 "[ . 1 . 2]" 1
266 1 13 ALA H 1 37 SER QB . . 5.340 4.595 4.190 5.235 . 0 0 "[ . 1 . 2]" 1
267 1 13 ALA HA 1 14 LEU HA . . 5.330 4.795 4.744 4.862 . 0 0 "[ . 1 . 2]" 1
268 1 13 ALA HA 1 16 GLN H . . 4.610 3.470 3.231 3.678 . 0 0 "[ . 1 . 2]" 1
269 1 13 ALA HA 1 16 GLN HB2 . . 3.360 2.537 2.182 2.937 . 0 0 "[ . 1 . 2]" 1
270 1 13 ALA HA 1 16 GLN HB3 . . 4.380 3.949 3.684 4.266 . 0 0 "[ . 1 . 2]" 1
271 1 13 ALA HA 1 16 GLN HE21 . . 5.160 4.338 3.812 4.737 . 0 0 "[ . 1 . 2]" 1
272 1 13 ALA HA 1 16 GLN HG2 . . 5.000 3.556 3.312 3.955 . 0 0 "[ . 1 . 2]" 1
273 1 13 ALA HA 1 16 GLN HG3 . . 3.130 2.235 1.996 2.579 . 0 0 "[ . 1 . 2]" 1
274 1 13 ALA MB 1 14 LEU H . . 3.830 2.710 2.453 2.861 . 0 0 "[ . 1 . 2]" 1
275 1 13 ALA MB 1 16 GLN HB2 . . 4.220 3.890 3.591 4.210 . 0 0 "[ . 1 . 2]" 1
276 1 13 ALA MB 1 17 TYR H . . 5.220 4.561 4.200 4.775 . 0 0 "[ . 1 . 2]" 1
277 1 13 ALA MB 1 37 SER H . . 4.340 4.162 3.879 4.348 0.008 4 0 "[ . 1 . 2]" 1
278 1 13 ALA MB 1 37 SER HA . . 5.040 5.063 4.994 5.126 0.086 4 0 "[ . 1 . 2]" 1
279 1 13 ALA MB 1 37 SER HB2 . . 4.190 4.077 3.767 4.224 0.034 12 0 "[ . 1 . 2]" 1
280 1 13 ALA MB 1 37 SER HB3 . . 4.190 2.824 2.526 3.719 . 0 0 "[ . 1 . 2]" 1
281 1 13 ALA MB 1 38 ASN H . . 5.200 5.086 4.873 5.207 0.007 20 0 "[ . 1 . 2]" 1
282 1 13 ALA MB 1 39 GLY H . . 4.810 4.529 4.202 4.819 0.009 2 0 "[ . 1 . 2]" 1
283 1 13 ALA MB 1 39 GLY HA2 . . 3.710 3.011 2.678 3.413 . 0 0 "[ . 1 . 2]" 1
284 1 13 ALA MB 1 53 LEU MD1 . . 3.460 2.740 2.224 3.184 . 0 0 "[ . 1 . 2]" 1
285 1 14 LEU H 1 14 LEU QB . . 3.450 2.113 2.090 2.144 . 0 0 "[ . 1 . 2]" 1
286 1 14 LEU H 1 14 LEU HG . . 4.210 4.083 3.151 4.225 0.015 14 0 "[ . 1 . 2]" 1
287 1 14 LEU H 1 15 ASN H . . 2.890 2.745 2.582 2.887 . 0 0 "[ . 1 . 2]" 1
288 1 14 LEU H 1 15 ASN HA . . 5.500 5.329 5.215 5.446 . 0 0 "[ . 1 . 2]" 1
289 1 14 LEU H 1 15 ASN HD21 . . 5.500 4.612 3.942 5.514 0.014 19 0 "[ . 1 . 2]" 1
290 1 14 LEU H 1 15 ASN HD22 . . 5.500 5.571 5.509 5.720 0.220 10 0 "[ . 1 . 2]" 1
291 1 14 LEU H 1 17 TYR HE2 . . 5.500 4.739 4.680 4.857 . 0 0 "[ . 1 . 2]" 1
292 1 14 LEU HA 1 14 LEU MD1 . . 4.050 2.552 2.445 3.276 . 0 0 "[ . 1 . 2]" 1
293 1 14 LEU HA 1 18 ALA MB . . 4.280 4.020 3.924 4.183 . 0 0 "[ . 1 . 2]" 1
294 1 14 LEU HA 1 50 LEU MD1 . . 5.500 4.732 4.573 4.938 . 0 0 "[ . 1 . 2]" 1
295 1 14 LEU HA 1 53 LEU QB . . 5.180 4.327 4.016 4.680 . 0 0 "[ . 1 . 2]" 1
296 1 14 LEU HA 1 53 LEU MD2 . . 5.030 3.975 2.748 4.711 . 0 0 "[ . 1 . 2]" 1
297 1 14 LEU QB 1 15 ASN H . . 3.580 2.608 2.508 3.351 . 0 0 "[ . 1 . 2]" 1
298 1 14 LEU QB 1 15 ASN QD . . 4.760 3.926 2.783 4.659 . 0 0 "[ . 1 . 2]" 1
299 1 14 LEU HB2 1 15 ASN H . . 4.200 3.941 3.887 4.139 . 0 0 "[ . 1 . 2]" 1
300 1 14 LEU HB3 1 15 ASN H . . 4.200 2.651 2.538 3.540 . 0 0 "[ . 1 . 2]" 1
301 1 14 LEU MD1 1 15 ASN H . . 4.280 3.819 3.327 3.946 . 0 0 "[ . 1 . 2]" 1
302 1 14 LEU MD1 1 17 TYR HE2 . . 4.580 1.944 1.878 2.950 . 0 0 "[ . 1 . 2]" 1
303 1 14 LEU MD1 1 18 ALA H . . 4.740 3.550 3.358 4.091 . 0 0 "[ . 1 . 2]" 1
304 1 14 LEU HG 1 15 ASN H . . 3.850 2.702 2.168 2.872 . 0 0 "[ . 1 . 2]" 1
305 1 14 LEU HG 1 15 ASN HA . . 4.080 3.044 2.961 3.281 . 0 0 "[ . 1 . 2]" 1
306 1 14 LEU HG 1 15 ASN QD . . 4.960 3.916 1.916 5.010 0.050 3 0 "[ . 1 . 2]" 1
307 1 14 LEU HG 1 16 GLN H . . 4.970 4.869 4.538 4.986 0.016 15 0 "[ . 1 . 2]" 1
308 1 15 ASN H 1 15 ASN HB2 . . 3.590 2.734 2.235 3.445 . 0 0 "[ . 1 . 2]" 1
309 1 15 ASN H 1 15 ASN QB . . 2.930 2.365 2.085 2.631 . 0 0 "[ . 1 . 2]" 1
310 1 15 ASN H 1 15 ASN HB3 . . 3.590 3.211 2.104 3.597 0.007 14 0 "[ . 1 . 2]" 1
311 1 15 ASN H 1 15 ASN QD . . 4.940 2.638 1.881 3.242 . 0 0 "[ . 1 . 2]" 1
312 1 15 ASN H 1 16 GLN H . . 3.660 2.593 2.461 2.666 . 0 0 "[ . 1 . 2]" 1
313 1 15 ASN H 1 16 GLN HB2 . . 5.130 4.809 4.664 4.938 . 0 0 "[ . 1 . 2]" 1
314 1 15 ASN H 1 16 GLN HG2 . . 4.860 4.404 4.084 4.765 . 0 0 "[ . 1 . 2]" 1
315 1 15 ASN H 1 16 GLN HG3 . . 5.500 5.060 4.602 5.367 . 0 0 "[ . 1 . 2]" 1
316 1 15 ASN H 1 18 ALA H . . 4.920 4.652 4.621 4.676 . 0 0 "[ . 1 . 2]" 1
317 1 15 ASN H 1 18 ALA MB . . 4.290 4.165 4.088 4.254 . 0 0 "[ . 1 . 2]" 1
318 1 15 ASN HA 1 15 ASN QD . . 4.120 3.797 3.007 4.154 0.034 20 0 "[ . 1 . 2]" 1
319 1 15 ASN HA 1 15 ASN HD22 . . 4.960 4.605 3.870 5.130 0.170 3 0 "[ . 1 . 2]" 1
320 1 15 ASN HA 1 17 TYR H . . 5.040 4.730 4.709 4.763 . 0 0 "[ . 1 . 2]" 1
321 1 15 ASN HA 1 18 ALA H . . 4.260 3.469 3.430 3.510 . 0 0 "[ . 1 . 2]" 1
322 1 15 ASN HA 1 18 ALA MB . . 3.390 2.116 2.003 2.184 . 0 0 "[ . 1 . 2]" 1
323 1 15 ASN HA 1 19 ALA H . . 3.870 3.757 3.599 3.931 0.061 11 0 "[ . 1 . 2]" 1
324 1 15 ASN QB 1 16 GLN H . . 3.510 2.918 2.747 3.384 . 0 0 "[ . 1 . 2]" 1
325 1 15 ASN QB 1 18 ALA MB . . 4.220 3.813 3.652 3.965 . 0 0 "[ . 1 . 2]" 1
326 1 15 ASN QB 1 19 ALA H . . 4.900 4.633 4.432 4.929 0.029 17 0 "[ . 1 . 2]" 1
327 1 15 ASN QB 1 19 ALA MB . . 4.560 3.952 3.652 4.315 . 0 0 "[ . 1 . 2]" 1
328 1 15 ASN HB2 1 16 GLN H . . 4.190 3.181 2.801 4.206 0.016 10 0 "[ . 1 . 2]" 1
329 1 15 ASN HB3 1 16 GLN H . . 4.190 3.756 3.525 3.991 . 0 0 "[ . 1 . 2]" 1
330 1 15 ASN QD 1 16 GLN H . . 4.790 3.852 2.391 4.440 . 0 0 "[ . 1 . 2]" 1
331 1 16 GLN H 1 16 GLN HB2 . . 3.630 2.499 2.346 2.630 . 0 0 "[ . 1 . 2]" 1
332 1 16 GLN H 1 16 GLN HE21 . . 5.380 4.886 4.423 5.357 . 0 0 "[ . 1 . 2]" 1
333 1 16 GLN H 1 16 GLN HG2 . . 3.020 2.327 2.141 2.622 . 0 0 "[ . 1 . 2]" 1
334 1 16 GLN H 1 16 GLN HG3 . . 3.310 3.101 2.852 3.319 0.009 2 0 "[ . 1 . 2]" 1
335 1 16 GLN H 1 18 ALA H . . 4.620 3.895 3.846 3.929 . 0 0 "[ . 1 . 2]" 1
336 1 16 GLN HA 1 16 GLN HE21 . . 5.500 4.833 4.561 5.038 . 0 0 "[ . 1 . 2]" 1
337 1 16 GLN HA 1 16 GLN HE22 . . 5.180 5.078 4.906 5.185 0.005 4 0 "[ . 1 . 2]" 1
338 1 16 GLN HA 1 16 GLN HG2 . . 3.260 2.580 2.465 2.682 . 0 0 "[ . 1 . 2]" 1
339 1 16 GLN HA 1 17 TYR HA . . 5.080 4.695 4.686 4.713 . 0 0 "[ . 1 . 2]" 1
340 1 16 GLN HA 1 18 ALA H . . 4.790 4.575 4.521 4.646 . 0 0 "[ . 1 . 2]" 1
341 1 16 GLN HB2 1 16 GLN HE21 . . 4.800 4.460 4.098 4.617 . 0 0 "[ . 1 . 2]" 1
342 1 16 GLN HB2 1 17 TYR H . . 3.840 2.289 2.232 2.379 . 0 0 "[ . 1 . 2]" 1
343 1 16 GLN HB3 1 17 TYR H . . 3.390 3.323 3.147 3.450 0.060 11 0 "[ . 1 . 2]" 1
344 1 17 TYR H 1 17 TYR QB . . 3.500 2.226 2.192 2.251 . 0 0 "[ . 1 . 2]" 1
345 1 17 TYR H 1 18 ALA H . . 3.870 2.509 2.480 2.555 . 0 0 "[ . 1 . 2]" 1
346 1 17 TYR H 1 18 ALA MB . . 4.360 4.187 4.155 4.231 . 0 0 "[ . 1 . 2]" 1
347 1 17 TYR H 1 19 ALA H . . 4.480 4.138 4.010 4.305 . 0 0 "[ . 1 . 2]" 1
348 1 17 TYR H 1 20 HIS HD2 . . 5.100 4.486 4.179 4.690 . 0 0 "[ . 1 . 2]" 1
349 1 17 TYR H 1 53 LEU MD2 . . 4.720 3.663 2.997 4.088 . 0 0 "[ . 1 . 2]" 1
350 1 17 TYR H 1 53 LEU HG . . 5.500 4.653 3.973 5.588 0.088 1 0 "[ . 1 . 2]" 1
351 1 17 TYR HA 1 17 TYR HD1 . . 3.900 3.820 3.797 3.842 . 0 0 "[ . 1 . 2]" 1
352 1 17 TYR HA 1 17 TYR HD2 . . 4.560 4.446 4.423 4.469 . 0 0 "[ . 1 . 2]" 1
353 1 17 TYR HA 1 18 ALA HA . . 4.850 4.828 4.811 4.854 0.004 7 0 "[ . 1 . 2]" 1
354 1 17 TYR HA 1 20 HIS H . . 3.240 3.201 3.141 3.256 0.016 5 0 "[ . 1 . 2]" 1
355 1 17 TYR HA 1 20 HIS QB . . 3.500 2.417 2.026 2.677 . 0 0 "[ . 1 . 2]" 1
356 1 17 TYR HA 1 20 HIS HD2 . . 3.260 2.252 1.986 2.618 . 0 0 "[ . 1 . 2]" 1
357 1 17 TYR HA 1 53 LEU MD2 . . 4.800 4.053 3.953 4.114 . 0 0 "[ . 1 . 2]" 1
358 1 17 TYR QB 1 18 ALA H . . 3.830 3.394 3.365 3.426 . 0 0 "[ . 1 . 2]" 1
359 1 17 TYR QB 1 20 HIS HD2 . . 4.010 3.130 2.315 4.027 0.017 19 0 "[ . 1 . 2]" 1
360 1 17 TYR QB 1 50 LEU MD1 . . 5.340 4.848 4.729 4.933 . 0 0 "[ . 1 . 2]" 1
361 1 17 TYR QB 1 53 LEU MD2 . . 3.940 1.992 1.862 2.110 . 0 0 "[ . 1 . 2]" 1
362 1 17 TYR HB2 1 20 HIS HD2 . . 4.560 3.351 2.337 4.509 . 0 0 "[ . 1 . 2]" 1
363 1 17 TYR HB2 1 53 LEU MD2 . . 4.700 2.571 2.347 2.872 . 0 0 "[ . 1 . 2]" 1
364 1 17 TYR HB3 1 20 HIS HD2 . . 4.560 4.148 3.752 4.584 0.024 5 0 "[ . 1 . 2]" 1
365 1 17 TYR HB3 1 53 LEU MD2 . . 4.700 2.101 1.891 2.263 . 0 0 "[ . 1 . 2]" 1
366 1 17 TYR HD1 1 18 ALA HA . . 3.870 3.544 3.411 3.663 . 0 0 "[ . 1 . 2]" 1
367 1 17 TYR HD1 1 18 ALA MB . . 4.530 4.527 4.385 4.624 0.094 15 0 "[ . 1 . 2]" 1
368 1 17 TYR HD1 1 20 HIS QB . . 5.300 4.960 4.409 5.365 0.065 8 0 "[ . 1 . 2]" 1
369 1 17 TYR HD1 1 21 SER HB2 . . 4.050 3.804 3.567 4.061 0.011 16 0 "[ . 1 . 2]" 1
370 1 17 TYR HD1 1 21 SER HB3 . . 5.210 4.491 3.903 5.087 . 0 0 "[ . 1 . 2]" 1
371 1 17 TYR HD1 1 23 PHE HE1 . . 5.500 3.081 2.936 3.271 . 0 0 "[ . 1 . 2]" 1
372 1 17 TYR HD1 1 46 VAL HA . . 5.340 3.790 3.569 4.072 . 0 0 "[ . 1 . 2]" 1
373 1 17 TYR HD1 1 46 VAL MG2 . . 5.140 3.591 3.445 3.915 . 0 0 "[ . 1 . 2]" 1
374 1 17 TYR HD1 1 50 LEU H . . 4.470 4.177 4.083 4.285 . 0 0 "[ . 1 . 2]" 1
375 1 17 TYR HD1 1 50 LEU HA . . 3.690 3.691 3.577 3.746 0.056 1 0 "[ . 1 . 2]" 1
376 1 17 TYR HD1 1 50 LEU HB2 . . 4.060 3.495 3.208 3.601 . 0 0 "[ . 1 . 2]" 1
377 1 17 TYR HD1 1 50 LEU HB3 . . 5.030 4.797 4.555 4.898 . 0 0 "[ . 1 . 2]" 1
378 1 17 TYR HD1 1 50 LEU MD1 . . 4.780 4.503 4.355 4.548 . 0 0 "[ . 1 . 2]" 1
379 1 17 TYR HD1 1 50 LEU MD2 . . 5.500 5.043 4.806 5.141 . 0 0 "[ . 1 . 2]" 1
380 1 17 TYR HD1 1 53 LEU MD2 . . 4.340 3.779 3.525 4.047 . 0 0 "[ . 1 . 2]" 1
381 1 17 TYR HD2 1 18 ALA HA . . 5.500 5.019 4.904 5.132 . 0 0 "[ . 1 . 2]" 1
382 1 17 TYR HD2 1 50 LEU MD1 . . 4.930 4.463 4.364 4.586 . 0 0 "[ . 1 . 2]" 1
383 1 17 TYR HD2 1 53 LEU MD2 . . 5.500 2.752 1.966 3.272 . 0 0 "[ . 1 . 2]" 1
384 1 17 TYR HE1 1 18 ALA MB . . 4.460 4.222 4.045 4.326 . 0 0 "[ . 1 . 2]" 1
385 1 17 TYR HE1 1 46 VAL HA . . 5.390 4.520 4.365 4.759 . 0 0 "[ . 1 . 2]" 1
386 1 17 TYR HE1 1 46 VAL MG2 . . 4.350 3.054 2.862 3.316 . 0 0 "[ . 1 . 2]" 1
387 1 17 TYR HE1 1 47 GLU HA . . 5.460 5.237 4.989 5.362 . 0 0 "[ . 1 . 2]" 1
388 1 17 TYR HE1 1 50 LEU MD1 . . 3.750 3.281 3.137 3.390 . 0 0 "[ . 1 . 2]" 1
389 1 17 TYR HE1 1 50 LEU MD2 . . 4.360 3.217 3.082 3.325 . 0 0 "[ . 1 . 2]" 1
390 1 17 TYR HE2 1 18 ALA H . . 4.340 4.151 4.030 4.265 . 0 0 "[ . 1 . 2]" 1
391 1 17 TYR HE2 1 18 ALA MB . . 4.150 3.632 3.412 3.876 . 0 0 "[ . 1 . 2]" 1
392 1 17 TYR HE2 1 50 LEU HA . . 5.110 4.576 4.273 4.980 . 0 0 "[ . 1 . 2]" 1
393 1 17 TYR HE2 1 50 LEU HB2 . . 5.500 4.955 4.863 5.100 . 0 0 "[ . 1 . 2]" 1
394 1 17 TYR HE2 1 50 LEU MD1 . . 3.970 3.256 3.103 3.499 . 0 0 "[ . 1 . 2]" 1
395 1 17 TYR HE2 1 53 LEU MD2 . . 4.750 3.965 3.203 4.510 . 0 0 "[ . 1 . 2]" 1
396 1 18 ALA H 1 18 ALA MB . . 3.090 2.227 2.209 2.235 . 0 0 "[ . 1 . 2]" 1
397 1 18 ALA H 1 19 ALA H . . 3.110 2.696 2.642 2.781 . 0 0 "[ . 1 . 2]" 1
398 1 18 ALA H 1 19 ALA HA . . 5.500 5.308 5.263 5.376 . 0 0 "[ . 1 . 2]" 1
399 1 18 ALA H 1 19 ALA MB . . 4.500 4.391 4.349 4.480 . 0 0 "[ . 1 . 2]" 1
400 1 18 ALA HA 1 19 ALA HA . . 5.110 4.715 4.702 4.741 . 0 0 "[ . 1 . 2]" 1
401 1 18 ALA HA 1 20 HIS H . . 4.770 4.200 4.126 4.254 . 0 0 "[ . 1 . 2]" 1
402 1 18 ALA HA 1 21 SER H . . 4.320 3.585 3.457 3.751 . 0 0 "[ . 1 . 2]" 1
403 1 18 ALA HA 1 21 SER HB2 . . 4.600 3.642 2.714 4.248 . 0 0 "[ . 1 . 2]" 1
404 1 18 ALA HA 1 21 SER HB3 . . 4.950 3.876 2.885 4.971 0.021 19 0 "[ . 1 . 2]" 1
405 1 18 ALA HA 1 22 GLY H . . 4.250 3.886 3.731 4.262 0.012 12 0 "[ . 1 . 2]" 1
406 1 18 ALA HA 1 23 PHE H . . 4.340 4.082 3.988 4.248 . 0 0 "[ . 1 . 2]" 1
407 1 18 ALA HA 1 23 PHE HD1 . . 3.960 3.434 3.311 3.572 . 0 0 "[ . 1 . 2]" 1
408 1 18 ALA HA 1 23 PHE HE1 . . 3.360 2.452 2.201 2.708 . 0 0 "[ . 1 . 2]" 1
409 1 18 ALA MB 1 19 ALA H . . 2.830 2.637 2.480 2.735 . 0 0 "[ . 1 . 2]" 1
410 1 18 ALA MB 1 19 ALA HA . . 4.010 3.872 3.844 3.896 . 0 0 "[ . 1 . 2]" 1
411 1 18 ALA MB 1 20 HIS H . . 4.360 4.401 4.266 4.490 0.130 9 0 "[ . 1 . 2]" 1
412 1 18 ALA MB 1 21 SER HB2 . . 5.500 5.019 4.191 5.590 0.090 14 0 "[ . 1 . 2]" 1
413 1 18 ALA MB 1 22 GLY H . . 4.930 4.501 4.364 4.739 . 0 0 "[ . 1 . 2]" 1
414 1 18 ALA MB 1 23 PHE HD1 . . 4.710 4.295 4.085 4.539 . 0 0 "[ . 1 . 2]" 1
415 1 18 ALA MB 1 23 PHE HE1 . . 4.670 3.628 3.346 3.930 . 0 0 "[ . 1 . 2]" 1
416 1 18 ALA MB 1 24 THR HA . . 4.420 4.195 3.816 4.428 0.008 12 0 "[ . 1 . 2]" 1
417 1 18 ALA MB 1 25 LEU H . . 4.580 4.494 4.215 4.603 0.023 12 0 "[ . 1 . 2]" 1
418 1 18 ALA MB 1 25 LEU HB2 . . 4.460 4.121 3.744 4.461 0.001 15 0 "[ . 1 . 2]" 1
419 1 18 ALA MB 1 25 LEU HB3 . . 4.360 3.945 3.770 4.071 . 0 0 "[ . 1 . 2]" 1
420 1 19 ALA H 1 19 ALA MB . . 2.660 2.222 2.087 2.255 . 0 0 "[ . 1 . 2]" 1
421 1 19 ALA H 1 20 HIS H . . 2.860 2.434 2.413 2.498 . 0 0 "[ . 1 . 2]" 1
422 1 19 ALA H 1 20 HIS QB . . 4.380 4.226 4.157 4.335 . 0 0 "[ . 1 . 2]" 1
423 1 19 ALA H 1 20 HIS HD2 . . 5.500 5.212 5.032 5.508 0.008 16 0 "[ . 1 . 2]" 1
424 1 19 ALA HA 1 22 GLY H . . 5.130 3.856 3.229 4.025 . 0 0 "[ . 1 . 2]" 1
425 1 19 ALA HA 1 23 PHE H . . 5.290 5.026 4.624 5.195 . 0 0 "[ . 1 . 2]" 1
426 1 19 ALA MB 1 20 HIS H . . 3.100 2.847 2.745 2.971 . 0 0 "[ . 1 . 2]" 1
427 1 19 ALA MB 1 20 HIS HA . . 4.720 3.893 3.841 3.922 . 0 0 "[ . 1 . 2]" 1
428 1 19 ALA MB 1 20 HIS QB . . 4.620 4.083 3.817 4.398 . 0 0 "[ . 1 . 2]" 1
429 1 19 ALA MB 1 20 HIS HD2 . . 5.500 5.391 4.693 5.693 0.193 20 0 "[ . 1 . 2]" 1
430 1 19 ALA MB 1 21 SER H . . 4.890 4.481 4.448 4.510 . 0 0 "[ . 1 . 2]" 1
431 1 20 HIS H 1 20 HIS QB . . 2.890 2.161 2.124 2.231 . 0 0 "[ . 1 . 2]" 1
432 1 20 HIS H 1 20 HIS HD2 . . 4.580 3.731 3.519 4.048 . 0 0 "[ . 1 . 2]" 1
433 1 20 HIS QB 1 21 SER H . . 3.450 3.185 2.918 3.402 . 0 0 "[ . 1 . 2]" 1
434 1 21 SER H 1 21 SER HB2 . . 3.680 2.628 2.284 2.946 . 0 0 "[ . 1 . 2]" 1
435 1 21 SER H 1 21 SER HB3 . . 3.650 2.982 2.299 3.623 . 0 0 "[ . 1 . 2]" 1
436 1 21 SER H 1 22 GLY H . . 2.760 2.586 2.231 2.680 . 0 0 "[ . 1 . 2]" 1
437 1 21 SER H 1 23 PHE H . . 4.430 4.309 3.984 4.407 . 0 0 "[ . 1 . 2]" 1
438 1 21 SER H 1 23 PHE HD1 . . 4.230 4.209 3.829 4.277 0.047 14 0 "[ . 1 . 2]" 1
439 1 21 SER H 1 23 PHE HE1 . . 4.740 4.587 4.413 4.714 . 0 0 "[ . 1 . 2]" 1
440 1 21 SER HA 1 21 SER HB3 . . 3.000 2.781 2.506 3.028 0.028 14 0 "[ . 1 . 2]" 1
441 1 21 SER HA 1 23 PHE H . . 5.190 4.949 4.748 5.042 . 0 0 "[ . 1 . 2]" 1
442 1 21 SER HA 1 23 PHE HD1 . . 4.820 4.618 4.489 4.739 . 0 0 "[ . 1 . 2]" 1
443 1 21 SER HB2 1 22 GLY H . . 4.190 3.023 2.146 3.805 . 0 0 "[ . 1 . 2]" 1
444 1 21 SER HB2 1 23 PHE HD1 . . 3.450 2.692 1.985 3.416 . 0 0 "[ . 1 . 2]" 1
445 1 21 SER HB2 1 23 PHE HE1 . . 3.580 3.127 2.586 3.588 0.008 13 0 "[ . 1 . 2]" 1
446 1 21 SER HB2 1 46 VAL MG2 . . 4.910 2.668 2.567 2.838 . 0 0 "[ . 1 . 2]" 1
447 1 21 SER HB3 1 22 GLY H . . 4.300 2.719 2.111 3.492 . 0 0 "[ . 1 . 2]" 1
448 1 21 SER HB3 1 23 PHE H . . 3.610 3.207 2.785 3.617 0.007 10 0 "[ . 1 . 2]" 1
449 1 21 SER HB3 1 23 PHE HD1 . . 3.450 2.253 1.977 2.675 . 0 0 "[ . 1 . 2]" 1
450 1 21 SER HB3 1 23 PHE HE1 . . 4.020 3.253 2.719 3.965 . 0 0 "[ . 1 . 2]" 1
451 1 21 SER HB3 1 46 VAL MG2 . . 4.810 2.550 2.034 3.004 . 0 0 "[ . 1 . 2]" 1
452 1 22 GLY H 1 22 GLY QA . . 2.460 2.332 2.250 2.369 . 0 0 "[ . 1 . 2]" 1
453 1 22 GLY H 1 23 PHE H . . 2.710 2.000 1.875 2.318 . 0 0 "[ . 1 . 2]" 1
454 1 22 GLY H 1 23 PHE HA . . 5.150 4.756 4.649 5.024 . 0 0 "[ . 1 . 2]" 1
455 1 22 GLY H 1 23 PHE HD1 . . 4.380 2.890 2.747 3.249 . 0 0 "[ . 1 . 2]" 1
456 1 23 PHE H 1 23 PHE HB2 . . 3.990 3.817 3.775 3.876 . 0 0 "[ . 1 . 2]" 1
457 1 23 PHE H 1 23 PHE HD1 . . 3.110 1.944 1.915 2.029 . 0 0 "[ . 1 . 2]" 1
458 1 23 PHE H 1 24 THR H . . 4.620 4.467 4.439 4.488 . 0 0 "[ . 1 . 2]" 1
459 1 23 PHE HA 1 23 PHE HD1 . . 4.310 4.054 4.035 4.077 . 0 0 "[ . 1 . 2]" 1
460 1 23 PHE HA 1 23 PHE HD2 . . 4.590 4.267 4.237 4.291 . 0 0 "[ . 1 . 2]" 1
461 1 23 PHE HA 1 24 THR H . . 3.260 2.479 2.466 2.488 . 0 0 "[ . 1 . 2]" 1
462 1 23 PHE HA 1 67 ASN QB . . 3.930 3.176 2.675 3.791 . 0 0 "[ . 1 . 2]" 1
463 1 23 PHE HA 1 67 ASN HD21 . . 5.250 3.925 2.661 4.383 . 0 0 "[ . 1 . 2]" 1
464 1 23 PHE HA 1 67 ASN QD . . 4.460 3.644 2.477 4.168 . 0 0 "[ . 1 . 2]" 1
465 1 23 PHE HA 1 67 ASN HD22 . . 5.250 4.388 2.952 5.213 . 0 0 "[ . 1 . 2]" 1
466 1 23 PHE HB2 1 24 THR H . . 3.330 2.434 2.409 2.464 . 0 0 "[ . 1 . 2]" 1
467 1 23 PHE HB2 1 46 VAL MG2 . . 5.500 4.055 3.796 4.191 . 0 0 "[ . 1 . 2]" 1
468 1 23 PHE HB2 1 68 SER HA . . 4.930 4.649 4.383 4.871 . 0 0 "[ . 1 . 2]" 1
469 1 23 PHE HB3 1 23 PHE HD1 . . 3.610 2.655 2.642 2.666 . 0 0 "[ . 1 . 2]" 1
470 1 23 PHE HB3 1 24 THR H . . 3.880 3.847 3.832 3.867 . 0 0 "[ . 1 . 2]" 1
471 1 23 PHE HB3 1 46 VAL MG2 . . 4.950 3.056 2.723 3.200 . 0 0 "[ . 1 . 2]" 1
472 1 23 PHE HB3 1 67 ASN HD21 . . 4.970 3.546 2.991 5.029 0.059 3 0 "[ . 1 . 2]" 1
473 1 23 PHE HB3 1 67 ASN HD22 . . 4.970 3.559 2.382 5.049 0.079 3 0 "[ . 1 . 2]" 1
474 1 23 PHE HD1 1 24 THR HA . . 5.500 5.553 5.509 5.596 0.096 3 0 "[ . 1 . 2]" 1
475 1 23 PHE HD1 1 46 VAL HA . . 5.170 5.126 4.945 5.185 0.015 5 0 "[ . 1 . 2]" 1
476 1 23 PHE HD1 1 46 VAL HB . . 5.150 4.320 4.195 4.483 . 0 0 "[ . 1 . 2]" 1
477 1 23 PHE HD1 1 46 VAL MG2 . . 4.320 2.601 2.470 2.756 . 0 0 "[ . 1 . 2]" 1
478 1 23 PHE HD2 1 24 THR H . . 3.300 3.029 2.982 3.062 . 0 0 "[ . 1 . 2]" 1
479 1 23 PHE HD2 1 25 LEU HA . . 4.980 4.396 4.369 4.423 . 0 0 "[ . 1 . 2]" 1
480 1 23 PHE HD2 1 46 VAL MG2 . . 5.500 4.102 3.898 4.341 . 0 0 "[ . 1 . 2]" 1
481 1 23 PHE HD2 1 68 SER HA . . 3.820 3.625 3.321 3.816 . 0 0 "[ . 1 . 2]" 1
482 1 23 PHE HD2 1 69 TRP H . . 3.830 3.136 3.019 3.336 . 0 0 "[ . 1 . 2]" 1
483 1 23 PHE HD2 1 69 TRP HB2 . . 4.020 3.576 3.478 3.740 . 0 0 "[ . 1 . 2]" 1
484 1 23 PHE HD2 1 69 TRP HD1 . . 3.320 2.033 1.956 2.248 . 0 0 "[ . 1 . 2]" 1
485 1 23 PHE HD2 1 69 TRP HE1 . . 3.530 3.497 3.436 3.570 0.040 20 0 "[ . 1 . 2]" 1
486 1 23 PHE HE1 1 46 VAL HA . . 5.500 4.488 4.305 4.727 . 0 0 "[ . 1 . 2]" 1
487 1 23 PHE HE1 1 46 VAL HB . . 5.180 4.872 4.609 5.168 . 0 0 "[ . 1 . 2]" 1
488 1 23 PHE HE1 1 46 VAL MG2 . . 4.550 2.486 2.342 2.757 . 0 0 "[ . 1 . 2]" 1
489 1 23 PHE HE2 1 24 THR HA . . 5.500 5.538 5.508 5.572 0.072 19 0 "[ . 1 . 2]" 1
490 1 23 PHE HE2 1 25 LEU H . . 5.500 5.245 5.185 5.300 . 0 0 "[ . 1 . 2]" 1
491 1 23 PHE HE2 1 25 LEU HA . . 5.500 3.662 3.516 3.770 . 0 0 "[ . 1 . 2]" 1
492 1 23 PHE HE2 1 25 LEU HB2 . . 4.110 2.791 2.678 3.019 . 0 0 "[ . 1 . 2]" 1
493 1 23 PHE HE2 1 25 LEU MD1 . . 4.490 2.187 1.963 2.434 . 0 0 "[ . 1 . 2]" 1
494 1 23 PHE HE2 1 50 LEU MD2 . . 5.320 3.382 3.237 3.598 . 0 0 "[ . 1 . 2]" 1
495 1 23 PHE HE2 1 68 SER HA . . 5.500 4.863 4.603 4.991 . 0 0 "[ . 1 . 2]" 1
496 1 23 PHE HE2 1 69 TRP HA . . 4.990 4.878 4.773 5.044 0.054 3 0 "[ . 1 . 2]" 1
497 1 23 PHE HZ 1 46 VAL MG2 . . 4.420 3.459 3.236 3.726 . 0 0 "[ . 1 . 2]" 1
498 1 24 THR H 1 24 THR HB . . 3.450 2.653 2.610 2.696 . 0 0 "[ . 1 . 2]" 1
499 1 24 THR H 1 24 THR MG . . 4.650 3.850 3.835 3.859 . 0 0 "[ . 1 . 2]" 1
500 1 24 THR H 1 25 LEU H . . 5.000 4.540 4.533 4.549 . 0 0 "[ . 1 . 2]" 1
501 1 24 THR H 1 67 ASN HD21 . . 5.500 3.762 1.868 5.214 . 0 0 "[ . 1 . 2]" 1
502 1 24 THR H 1 67 ASN QD . . 4.740 3.592 1.845 4.759 0.019 4 0 "[ . 1 . 2]" 1
503 1 24 THR H 1 67 ASN HD22 . . 5.500 4.817 2.829 5.528 0.028 20 0 "[ . 1 . 2]" 1
504 1 24 THR H 1 68 SER HA . . 3.670 3.384 3.185 3.565 . 0 0 "[ . 1 . 2]" 1
505 1 24 THR H 1 69 TRP H . . 4.810 4.452 4.335 4.555 . 0 0 "[ . 1 . 2]" 1
506 1 24 THR H 1 69 TRP HD1 . . 4.210 4.190 4.073 4.221 0.011 2 0 "[ . 1 . 2]" 1
507 1 24 THR H 1 69 TRP HE1 . . 5.500 5.517 5.428 5.553 0.053 3 0 "[ . 1 . 2]" 1
508 1 24 THR HA 1 24 THR MG . . 3.340 2.225 2.183 2.257 . 0 0 "[ . 1 . 2]" 1
509 1 24 THR HA 1 25 LEU H . . 2.810 2.274 2.254 2.302 . 0 0 "[ . 1 . 2]" 1
510 1 24 THR HA 1 25 LEU HA . . 4.670 4.448 4.442 4.455 . 0 0 "[ . 1 . 2]" 1
511 1 24 THR HA 1 25 LEU HB2 . . 4.450 4.327 4.190 4.395 . 0 0 "[ . 1 . 2]" 1
512 1 24 THR HA 1 68 SER HA . . 4.730 4.672 4.423 4.757 0.027 16 0 "[ . 1 . 2]" 1
513 1 24 THR HA 1 68 SER QB . . 5.340 5.347 5.289 5.396 0.056 19 0 "[ . 1 . 2]" 1
514 1 24 THR HB 1 25 LEU H . . 3.770 3.745 3.638 3.819 0.049 1 0 "[ . 1 . 2]" 1
515 1 24 THR HB 1 25 LEU HA . . 4.630 4.500 4.436 4.553 . 0 0 "[ . 1 . 2]" 1
516 1 24 THR HB 1 68 SER H . . 4.910 4.626 4.254 4.859 . 0 0 "[ . 1 . 2]" 1
517 1 24 THR HB 1 68 SER HA . . 3.040 2.626 2.288 2.745 . 0 0 "[ . 1 . 2]" 1
518 1 24 THR HB 1 68 SER QB . . 3.200 2.797 2.596 2.918 . 0 0 "[ . 1 . 2]" 1
519 1 24 THR HB 1 69 TRP H . . 4.330 4.292 4.083 4.355 0.025 10 0 "[ . 1 . 2]" 1
520 1 24 THR MG 1 25 LEU H . . 3.240 2.076 1.996 2.197 . 0 0 "[ . 1 . 2]" 1
521 1 24 THR MG 1 25 LEU HA . . 4.090 3.652 3.587 3.734 . 0 0 "[ . 1 . 2]" 1
522 1 24 THR MG 1 26 SER HA . . 5.270 4.520 4.381 4.612 . 0 0 "[ . 1 . 2]" 1
523 1 24 THR MG 1 26 SER QB . . 4.630 4.037 3.809 4.279 . 0 0 "[ . 1 . 2]" 1
524 1 24 THR MG 1 68 SER HA . . 3.910 3.619 3.283 3.707 . 0 0 "[ . 1 . 2]" 1
525 1 24 THR MG 1 68 SER QB . . 3.400 3.125 2.962 3.208 . 0 0 "[ . 1 . 2]" 1
526 1 25 LEU H 1 25 LEU HB2 . . 3.380 3.190 3.069 3.241 . 0 0 "[ . 1 . 2]" 1
527 1 25 LEU H 1 25 LEU HB3 . . 3.680 2.783 2.742 2.896 . 0 0 "[ . 1 . 2]" 1
528 1 25 LEU H 1 25 LEU MD1 . . 5.330 4.588 4.537 4.625 . 0 0 "[ . 1 . 2]" 1
529 1 25 LEU H 1 26 SER H . . 4.410 4.314 4.258 4.378 . 0 0 "[ . 1 . 2]" 1
530 1 25 LEU H 1 26 SER QB . . 5.240 5.104 4.929 5.229 . 0 0 "[ . 1 . 2]" 1
531 1 25 LEU HA 1 25 LEU MD1 . . 3.580 2.738 2.671 2.800 . 0 0 "[ . 1 . 2]" 1
532 1 25 LEU HA 1 25 LEU HG . . 4.190 2.660 2.489 2.755 . 0 0 "[ . 1 . 2]" 1
533 1 25 LEU HA 1 26 SER H . . 3.060 2.186 2.159 2.238 . 0 0 "[ . 1 . 2]" 1
534 1 25 LEU HA 1 26 SER HA . . 4.640 4.400 4.390 4.419 . 0 0 "[ . 1 . 2]" 1
535 1 25 LEU HA 1 26 SER HB2 . . 5.500 4.167 4.054 5.622 0.122 12 0 "[ . 1 . 2]" 1
536 1 25 LEU HA 1 26 SER QB . . 4.720 3.968 3.927 4.190 . 0 0 "[ . 1 . 2]" 1
537 1 25 LEU HA 1 26 SER HB3 . . 5.500 5.225 4.323 5.465 . 0 0 "[ . 1 . 2]" 1
538 1 25 LEU HA 1 27 VAL MG1 . . 5.500 5.184 5.107 5.202 . 0 0 "[ . 1 . 2]" 1
539 1 25 LEU HA 1 68 SER HA . . 4.210 3.629 3.399 3.848 . 0 0 "[ . 1 . 2]" 1
540 1 25 LEU HA 1 68 SER QB . . 4.980 4.307 4.112 5.009 0.029 19 0 "[ . 1 . 2]" 1
541 1 25 LEU HA 1 69 TRP H . . 3.990 2.455 2.196 2.602 . 0 0 "[ . 1 . 2]" 1
542 1 25 LEU HA 1 69 TRP HA . . 4.710 4.654 4.554 4.756 0.046 1 0 "[ . 1 . 2]" 1
543 1 25 LEU HA 1 69 TRP HB3 . . 5.500 4.826 4.747 5.020 . 0 0 "[ . 1 . 2]" 1
544 1 25 LEU HA 1 70 THR HA . . 4.580 4.344 4.203 4.520 . 0 0 "[ . 1 . 2]" 1
545 1 25 LEU HB3 1 26 SER H . . 4.080 4.040 3.883 4.124 0.044 3 0 "[ . 1 . 2]" 1
546 1 25 LEU HB3 1 26 SER HA . . 4.900 4.729 4.544 4.790 . 0 0 "[ . 1 . 2]" 1
547 1 25 LEU HB3 1 27 VAL MG1 . . 4.440 3.886 3.712 4.102 . 0 0 "[ . 1 . 2]" 1
548 1 25 LEU MD1 1 26 SER H . . 4.000 3.481 3.236 3.691 . 0 0 "[ . 1 . 2]" 1
549 1 25 LEU MD1 1 68 SER HA . . 5.500 5.122 4.989 5.172 . 0 0 "[ . 1 . 2]" 1
550 1 25 LEU MD1 1 69 TRP HB2 . . 3.870 1.983 1.929 2.230 . 0 0 "[ . 1 . 2]" 1
551 1 25 LEU MD1 1 69 TRP HB3 . . 3.850 2.982 2.714 3.298 . 0 0 "[ . 1 . 2]" 1
552 1 25 LEU MD1 1 69 TRP HD1 . . 4.710 4.322 4.189 4.459 . 0 0 "[ . 1 . 2]" 1
553 1 25 LEU MD1 1 70 THR HA . . 5.440 3.306 2.987 3.845 . 0 0 "[ . 1 . 2]" 1
554 1 25 LEU MD2 1 26 SER HA . . 4.680 4.303 4.219 4.409 . 0 0 "[ . 1 . 2]" 1
555 1 25 LEU MD2 1 27 VAL H . . 3.940 3.665 3.608 3.719 . 0 0 "[ . 1 . 2]" 1
556 1 25 LEU HG 1 26 SER H . . 3.570 2.395 2.117 2.565 . 0 0 "[ . 1 . 2]" 1
557 1 25 LEU HG 1 26 SER HA . . 4.400 4.060 3.876 4.355 . 0 0 "[ . 1 . 2]" 1
558 1 25 LEU HG 1 26 SER HB2 . . 5.480 4.895 4.725 5.534 0.054 12 0 "[ . 1 . 2]" 1
559 1 25 LEU HG 1 26 SER QB . . 4.750 4.477 4.381 4.654 . 0 0 "[ . 1 . 2]" 1
560 1 25 LEU HG 1 26 SER HB3 . . 5.480 5.211 5.006 5.420 . 0 0 "[ . 1 . 2]" 1
561 1 25 LEU HG 1 27 VAL MG1 . . 4.360 3.148 2.929 3.478 . 0 0 "[ . 1 . 2]" 1
562 1 25 LEU HG 1 70 THR HA . . 4.580 3.179 2.953 3.456 . 0 0 "[ . 1 . 2]" 1
563 1 25 LEU HG 1 70 THR HB . . 5.500 5.221 4.933 5.473 . 0 0 "[ . 1 . 2]" 1
564 1 26 SER H 1 26 SER HB2 . . 3.660 2.602 2.441 3.816 0.156 12 0 "[ . 1 . 2]" 1
565 1 26 SER H 1 26 SER QB . . 3.090 2.470 2.385 2.914 . 0 0 "[ . 1 . 2]" 1
566 1 26 SER H 1 26 SER HB3 . . 3.660 3.240 3.024 3.478 . 0 0 "[ . 1 . 2]" 1
567 1 26 SER H 1 68 SER HA . . 5.490 4.921 4.681 5.272 . 0 0 "[ . 1 . 2]" 1
568 1 26 SER H 1 70 THR HA . . 3.820 2.869 2.516 3.042 . 0 0 "[ . 1 . 2]" 1
569 1 26 SER H 1 70 THR HB . . 4.630 3.724 3.610 3.915 . 0 0 "[ . 1 . 2]" 1
570 1 26 SER HA 1 27 VAL HA . . 5.370 4.383 4.381 4.384 . 0 0 "[ . 1 . 2]" 1
571 1 26 SER HA 1 27 VAL HB . . 4.980 4.900 4.883 4.924 . 0 0 "[ . 1 . 2]" 1
572 1 26 SER HA 1 27 VAL MG1 . . 4.210 3.758 3.688 3.790 . 0 0 "[ . 1 . 2]" 1
573 1 26 SER HA 1 70 THR HB . . 5.500 5.482 5.353 5.553 0.053 15 0 "[ . 1 . 2]" 1
574 1 26 SER QB 1 27 VAL H . . 3.900 3.795 3.639 3.878 . 0 0 "[ . 1 . 2]" 1
575 1 26 SER QB 1 64 LEU HB2 . . 5.340 5.339 5.214 5.415 0.075 12 0 "[ . 1 . 2]" 1
576 1 26 SER QB 1 64 LEU MD1 . . 3.970 2.663 2.457 2.914 . 0 0 "[ . 1 . 2]" 1
577 1 26 SER QB 1 70 THR HA . . 3.980 3.863 3.518 4.028 0.048 12 0 "[ . 1 . 2]" 1
578 1 26 SER QB 1 70 THR HB . . 3.770 3.200 2.930 3.733 . 0 0 "[ . 1 . 2]" 1
579 1 26 SER QB 1 71 LEU H . . 5.330 5.130 4.751 5.360 0.030 20 0 "[ . 1 . 2]" 1
580 1 26 SER HB2 1 27 VAL H . . 4.660 4.591 3.838 4.638 . 0 0 "[ . 1 . 2]" 1
581 1 26 SER HB2 1 70 THR HA . . 4.610 4.503 4.339 4.617 0.007 11 0 "[ . 1 . 2]" 1
582 1 26 SER HB2 1 70 THR HB . . 4.550 3.859 3.639 4.252 . 0 0 "[ . 1 . 2]" 1
583 1 26 SER HB3 1 27 VAL H . . 4.660 4.069 3.930 4.518 . 0 0 "[ . 1 . 2]" 1
584 1 26 SER HB3 1 70 THR HA . . 4.610 4.233 3.719 4.587 . 0 0 "[ . 1 . 2]" 1
585 1 26 SER HB3 1 70 THR HB . . 4.550 3.451 3.047 4.134 . 0 0 "[ . 1 . 2]" 1
586 1 27 VAL H 1 27 VAL HB . . 3.470 3.335 3.318 3.357 . 0 0 "[ . 1 . 2]" 1
587 1 27 VAL H 1 27 VAL MG1 . . 4.060 2.205 2.160 2.222 . 0 0 "[ . 1 . 2]" 1
588 1 27 VAL H 1 28 ASP H . . 4.450 4.370 4.363 4.375 . 0 0 "[ . 1 . 2]" 1
589 1 27 VAL H 1 71 LEU H . . 5.500 5.239 5.027 5.397 . 0 0 "[ . 1 . 2]" 1
590 1 27 VAL HA 1 27 VAL MG2 . . 3.670 2.403 2.364 2.430 . 0 0 "[ . 1 . 2]" 1
591 1 27 VAL HA 1 28 ASP H . . 2.860 2.194 2.191 2.199 . 0 0 "[ . 1 . 2]" 1
592 1 27 VAL HA 1 28 ASP QB . . 4.520 4.377 4.045 4.527 0.007 4 0 "[ . 1 . 2]" 1
593 1 27 VAL HA 1 71 LEU H . . 3.600 3.222 3.041 3.394 . 0 0 "[ . 1 . 2]" 1
594 1 27 VAL HB 1 28 ASP H . . 4.230 3.975 3.961 3.991 . 0 0 "[ . 1 . 2]" 1
595 1 27 VAL HB 1 70 THR HA . . 5.500 3.830 3.504 4.410 . 0 0 "[ . 1 . 2]" 1
596 1 27 VAL HB 1 71 LEU H . . 5.500 2.883 2.686 3.120 . 0 0 "[ . 1 . 2]" 1
597 1 27 VAL MG1 1 71 LEU H . . 4.920 4.420 4.300 4.496 . 0 0 "[ . 1 . 2]" 1
598 1 27 VAL MG2 1 28 ASP H . . 3.040 2.247 2.124 2.368 . 0 0 "[ . 1 . 2]" 1
599 1 27 VAL MG2 1 28 ASP HA . . 4.540 3.996 3.912 4.047 . 0 0 "[ . 1 . 2]" 1
600 1 28 ASP H 1 28 ASP QB . . 2.830 2.374 2.147 2.679 . 0 0 "[ . 1 . 2]" 1
601 1 28 ASP H 1 29 ALA H . . 4.370 4.283 4.193 4.428 0.058 2 0 "[ . 1 . 2]" 1
602 1 28 ASP H 1 30 SER H . . 5.500 5.337 5.173 5.496 . 0 0 "[ . 1 . 2]" 1
603 1 28 ASP HA 1 29 ALA H . . 2.840 2.189 2.142 2.221 . 0 0 "[ . 1 . 2]" 1
604 1 28 ASP HA 1 29 ALA HA . . 5.170 4.449 4.406 4.470 . 0 0 "[ . 1 . 2]" 1
605 1 28 ASP HA 1 29 ALA MB . . 4.210 4.029 3.963 4.088 . 0 0 "[ . 1 . 2]" 1
606 1 28 ASP HA 1 30 SER H . . 4.040 3.247 3.167 3.394 . 0 0 "[ . 1 . 2]" 1
607 1 28 ASP QB 1 29 ALA H . . 4.130 3.670 3.490 3.956 . 0 0 "[ . 1 . 2]" 1
608 1 28 ASP QB 1 30 SER H . . 4.410 2.980 2.618 3.656 . 0 0 "[ . 1 . 2]" 1
609 1 28 ASP QB 1 31 LEU H . . 4.370 3.428 3.062 3.972 . 0 0 "[ . 1 . 2]" 1
610 1 28 ASP QB 1 32 THR H . . 5.340 4.724 4.116 5.352 0.012 20 0 "[ . 1 . 2]" 1
611 1 29 ALA H 1 29 ALA MB . . 2.870 2.163 2.067 2.248 . 0 0 "[ . 1 . 2]" 1
612 1 29 ALA H 1 30 SER H . . 2.780 2.557 2.493 2.640 . 0 0 "[ . 1 . 2]" 1
613 1 29 ALA H 1 31 LEU H . . 5.270 4.880 4.665 5.126 . 0 0 "[ . 1 . 2]" 1
614 1 29 ALA H 1 32 THR H . . 5.500 5.073 4.956 5.253 . 0 0 "[ . 1 . 2]" 1
615 1 29 ALA H 1 32 THR HB . . 5.500 4.876 4.767 5.402 . 0 0 "[ . 1 . 2]" 1
616 1 29 ALA HA 1 30 SER H . . 3.430 3.329 3.212 3.409 . 0 0 "[ . 1 . 2]" 1
617 1 29 ALA HA 1 31 LEU H . . 4.220 4.050 3.582 4.210 . 0 0 "[ . 1 . 2]" 1
618 1 29 ALA HA 1 31 LEU MD1 . . 5.140 4.109 2.976 4.762 . 0 0 "[ . 1 . 2]" 1
619 1 29 ALA HA 1 32 THR H . . 4.030 2.961 2.792 3.175 . 0 0 "[ . 1 . 2]" 1
620 1 29 ALA HA 1 32 THR MG . . 5.500 3.544 3.421 4.170 . 0 0 "[ . 1 . 2]" 1
621 1 29 ALA HA 1 33 ARG H . . 5.050 3.897 3.235 4.590 . 0 0 "[ . 1 . 2]" 1
622 1 29 ALA MB 1 30 SER H . . 3.350 3.201 3.065 3.375 0.025 5 0 "[ . 1 . 2]" 1
623 1 29 ALA MB 1 31 LEU H . . 5.130 4.796 4.468 4.885 . 0 0 "[ . 1 . 2]" 1
624 1 29 ALA MB 1 32 THR H . . 4.540 4.151 3.732 4.516 . 0 0 "[ . 1 . 2]" 1
625 1 29 ALA MB 1 32 THR HB . . 4.420 2.821 2.111 3.287 . 0 0 "[ . 1 . 2]" 1
626 1 29 ALA MB 1 32 THR MG . . 4.170 3.501 2.828 3.916 . 0 0 "[ . 1 . 2]" 1
627 1 29 ALA MB 1 33 ARG H . . 4.340 3.880 3.594 4.228 . 0 0 "[ . 1 . 2]" 1
628 1 30 SER H 1 31 LEU H . . 3.010 2.868 2.770 2.934 . 0 0 "[ . 1 . 2]" 1
629 1 30 SER H 1 31 LEU MD1 . . 4.010 3.600 3.403 3.853 . 0 0 "[ . 1 . 2]" 1
630 1 30 SER H 1 32 THR H . . 4.170 3.943 3.710 4.206 0.036 20 0 "[ . 1 . 2]" 1
631 1 30 SER HA 1 31 LEU HA . . 4.670 4.658 4.644 4.692 0.022 16 0 "[ . 1 . 2]" 1
632 1 31 LEU H 1 31 LEU HB2 . . 3.660 2.934 2.489 3.621 . 0 0 "[ . 1 . 2]" 1
633 1 31 LEU H 1 31 LEU HB3 . . 3.660 3.458 2.487 3.628 . 0 0 "[ . 1 . 2]" 1
634 1 31 LEU H 1 31 LEU MD1 . . 4.160 1.943 1.761 2.228 . 0 0 "[ . 1 . 2]" 1
635 1 31 LEU H 1 32 THR H . . 3.490 2.369 2.328 2.425 . 0 0 "[ . 1 . 2]" 1
636 1 31 LEU H 1 33 ARG H . . 4.380 4.141 3.794 4.436 0.056 10 0 "[ . 1 . 2]" 1
637 1 31 LEU HA 1 31 LEU MD1 . . 4.250 3.640 3.414 3.725 . 0 0 "[ . 1 . 2]" 1
638 1 31 LEU QB 1 32 THR H . . 4.030 2.922 2.493 3.765 . 0 0 "[ . 1 . 2]" 1
639 1 31 LEU MD1 1 32 THR H . . 3.720 2.801 1.892 3.418 . 0 0 "[ . 1 . 2]" 1
640 1 31 LEU MD1 1 33 ARG H . . 5.500 4.981 4.143 5.232 . 0 0 "[ . 1 . 2]" 1
641 1 32 THR H 1 32 THR HB . . 2.970 2.527 2.420 2.682 . 0 0 "[ . 1 . 2]" 1
642 1 32 THR H 1 33 ARG H . . 2.840 2.691 2.358 2.836 . 0 0 "[ . 1 . 2]" 1
643 1 32 THR H 1 33 ARG HA . . 5.400 5.262 4.975 5.406 0.006 13 0 "[ . 1 . 2]" 1
644 1 32 THR HA 1 35 LYS QE . . 4.390 2.761 2.331 3.114 . 0 0 "[ . 1 . 2]" 1
645 1 32 THR HA 1 35 LYS QZ . . 4.760 3.958 3.502 4.405 . 0 0 "[ . 1 . 2]" 1
646 1 32 THR HB 1 33 ARG H . . 2.880 2.725 2.470 3.004 0.124 19 0 "[ . 1 . 2]" 1
647 1 32 THR HB 1 35 LYS QE . . 5.340 5.213 4.666 5.388 0.048 13 0 "[ . 1 . 2]" 1
648 1 32 THR MG 1 33 ARG H . . 4.300 3.513 3.204 3.834 . 0 0 "[ . 1 . 2]" 1
649 1 33 ARG H 1 33 ARG HB2 . . 3.700 2.755 2.120 3.665 . 0 0 "[ . 1 . 2]" 1
650 1 33 ARG H 1 33 ARG QB . . 3.210 2.264 2.100 2.763 . 0 0 "[ . 1 . 2]" 1
651 1 33 ARG H 1 33 ARG HB3 . . 3.700 3.069 2.278 3.549 . 0 0 "[ . 1 . 2]" 1
652 1 33 ARG H 1 33 ARG QD . . 4.480 3.821 1.924 4.269 . 0 0 "[ . 1 . 2]" 1
653 1 33 ARG H 1 33 ARG HG2 . . 4.070 3.090 2.588 3.768 . 0 0 "[ . 1 . 2]" 1
654 1 33 ARG H 1 33 ARG QG . . 3.220 2.729 1.928 3.476 0.256 1 0 "[ . 1 . 2]" 1
655 1 33 ARG H 1 33 ARG HG3 . . 4.070 3.430 1.945 4.090 0.020 19 0 "[ . 1 . 2]" 1
656 1 33 ARG H 1 34 GLY H . . 4.760 4.202 2.623 4.592 . 0 0 "[ . 1 . 2]" 1
657 1 33 ARG HA 1 33 ARG QD . . 4.260 2.768 1.964 4.277 0.017 5 0 "[ . 1 . 2]" 1
658 1 33 ARG HA 1 33 ARG QG . . 3.470 2.895 2.367 3.431 . 0 0 "[ . 1 . 2]" 1
659 1 33 ARG HA 1 34 GLY H . . 3.310 2.368 2.145 3.558 0.248 19 0 "[ . 1 . 2]" 1
660 1 33 ARG HA 1 35 LYS H . . 4.590 3.949 3.442 4.614 0.024 5 0 "[ . 1 . 2]" 1
661 1 33 ARG QB 1 34 GLY H . . 4.080 3.393 2.065 3.719 . 0 0 "[ . 1 . 2]" 1
662 1 33 ARG HB2 1 34 GLY H . . 4.930 4.023 2.580 4.619 . 0 0 "[ . 1 . 2]" 1
663 1 33 ARG HB3 1 34 GLY H . . 4.930 3.861 2.173 4.276 . 0 0 "[ . 1 . 2]" 1
664 1 33 ARG QD 1 34 GLY H . . 4.130 3.548 2.970 4.069 . 0 0 "[ . 1 . 2]" 1
665 1 33 ARG QD 1 35 LYS H . . 5.340 5.150 4.367 5.386 0.046 5 0 "[ . 1 . 2]" 1
666 1 33 ARG QG 1 34 GLY H . . 4.720 4.156 2.011 4.715 . 0 0 "[ . 1 . 2]" 1
667 1 34 GLY H 1 35 LYS H . . 3.770 2.573 1.849 3.469 . 0 0 "[ . 1 . 2]" 1
668 1 35 LYS H 1 35 LYS QB . . 3.050 2.499 2.060 3.023 . 0 0 "[ . 1 . 2]" 1
669 1 35 LYS H 1 35 LYS HE2 . . 5.210 4.403 2.914 5.232 0.022 6 0 "[ . 1 . 2]" 1
670 1 35 LYS H 1 35 LYS QE . . 4.480 3.896 2.738 4.500 0.020 19 0 "[ . 1 . 2]" 1
671 1 35 LYS H 1 35 LYS HE3 . . 5.210 4.584 3.323 5.217 0.007 8 0 "[ . 1 . 2]" 1
672 1 35 LYS H 1 35 LYS HG2 . . 4.500 3.727 2.162 4.588 0.088 2 0 "[ . 1 . 2]" 1
673 1 35 LYS H 1 35 LYS QG . . 3.810 3.247 2.111 3.999 0.189 5 0 "[ . 1 . 2]" 1
674 1 35 LYS H 1 35 LYS HG3 . . 4.500 3.917 2.954 4.563 0.063 12 0 "[ . 1 . 2]" 1
675 1 35 LYS H 1 36 GLN H . . 4.740 4.510 4.443 4.647 . 0 0 "[ . 1 . 2]" 1
676 1 35 LYS HA 1 35 LYS HD2 . . 5.500 4.545 3.814 5.471 . 0 0 "[ . 1 . 2]" 1
677 1 35 LYS HA 1 35 LYS QD . . 4.780 3.819 2.789 4.363 . 0 0 "[ . 1 . 2]" 1
678 1 35 LYS HA 1 35 LYS HD3 . . 5.500 4.191 2.863 4.891 . 0 0 "[ . 1 . 2]" 1
679 1 35 LYS HA 1 36 GLN H . . 3.220 2.449 2.289 2.553 . 0 0 "[ . 1 . 2]" 1
680 1 35 LYS QB 1 36 GLN H . . 3.130 2.589 2.124 3.433 0.303 12 0 "[ . 1 . 2]" 1
681 1 35 LYS HD2 1 36 GLN H . . 5.500 4.850 3.688 5.517 0.017 17 0 "[ . 1 . 2]" 1
682 1 35 LYS HD3 1 36 GLN H . . 5.500 4.994 4.084 5.522 0.022 11 0 "[ . 1 . 2]" 1
683 1 35 LYS QE 1 36 GLN H . . 5.340 4.950 3.610 5.378 0.038 13 0 "[ . 1 . 2]" 1
684 1 35 LYS QG 1 36 GLN H . . 4.000 2.813 1.904 3.408 . 0 0 "[ . 1 . 2]" 1
685 1 35 LYS QG 1 36 GLN QB . . 5.180 4.821 4.242 5.210 0.030 4 0 "[ . 1 . 2]" 1
686 1 36 GLN H 1 36 GLN HB2 . . 4.190 3.462 2.457 3.859 . 0 0 "[ . 1 . 2]" 1
687 1 36 GLN H 1 36 GLN QB . . 3.500 2.808 2.420 2.978 . 0 0 "[ . 1 . 2]" 1
688 1 36 GLN H 1 36 GLN HB3 . . 4.190 3.198 2.892 3.790 . 0 0 "[ . 1 . 2]" 1
689 1 36 GLN H 1 36 GLN QG . . 3.500 2.668 1.927 3.496 . 0 0 "[ . 1 . 2]" 1
690 1 36 GLN H 1 37 SER H . . 5.350 4.455 4.414 4.528 . 0 0 "[ . 1 . 2]" 1
691 1 36 GLN HA 1 37 SER H . . 3.440 2.557 2.429 2.580 . 0 0 "[ . 1 . 2]" 1
692 1 36 GLN QB 1 37 SER H . . 3.060 2.145 2.059 2.335 . 0 0 "[ . 1 . 2]" 1
693 1 36 GLN HB2 1 36 GLN HE22 . . 5.410 4.730 3.461 5.320 . 0 0 "[ . 1 . 2]" 1
694 1 36 GLN HB2 1 37 SER H . . 3.630 2.462 2.076 3.391 . 0 0 "[ . 1 . 2]" 1
695 1 36 GLN HB3 1 36 GLN HE22 . . 5.410 4.332 3.385 5.351 . 0 0 "[ . 1 . 2]" 1
696 1 36 GLN HB3 1 37 SER H . . 3.630 3.247 2.077 3.744 0.114 19 0 "[ . 1 . 2]" 1
697 1 37 SER H 1 37 SER HB2 . . 3.620 3.509 3.088 3.741 0.121 9 0 "[ . 1 . 2]" 1
698 1 37 SER H 1 37 SER QB . . 3.160 2.659 2.440 2.850 . 0 0 "[ . 1 . 2]" 1
699 1 37 SER H 1 37 SER HB3 . . 3.620 2.759 2.500 2.978 . 0 0 "[ . 1 . 2]" 1
700 1 37 SER H 1 37 SER HG . . 4.460 4.162 3.855 4.333 . 0 0 "[ . 1 . 2]" 1
701 1 37 SER HA 1 37 SER HG . . 3.750 3.218 2.833 3.408 . 0 0 "[ . 1 . 2]" 1
702 1 37 SER HA 1 38 ASN H . . 3.020 2.293 2.219 2.372 . 0 0 "[ . 1 . 2]" 1
703 1 37 SER HB2 1 38 ASN H . . 4.080 3.691 2.867 3.939 . 0 0 "[ . 1 . 2]" 1
704 1 37 SER HB3 1 38 ASN H . . 4.080 3.994 3.833 4.114 0.034 20 0 "[ . 1 . 2]" 1
705 1 37 SER HG 1 38 ASN H . . 3.280 2.675 1.949 2.996 . 0 0 "[ . 1 . 2]" 1
706 1 37 SER HG 1 39 GLY H . . 4.660 4.689 4.653 4.709 0.049 4 0 "[ . 1 . 2]" 1
707 1 38 ASN H 1 38 ASN HB2 . . 3.850 2.388 2.209 2.836 . 0 0 "[ . 1 . 2]" 1
708 1 38 ASN H 1 38 ASN QB . . 3.350 2.268 2.186 2.534 . 0 0 "[ . 1 . 2]" 1
709 1 38 ASN H 1 38 ASN HB3 . . 3.850 3.184 2.306 3.623 . 0 0 "[ . 1 . 2]" 1
710 1 38 ASN H 1 38 ASN QD . . 4.500 3.902 2.224 4.403 . 0 0 "[ . 1 . 2]" 1
711 1 38 ASN H 1 39 GLY HA2 . . 5.500 5.426 5.341 5.480 . 0 0 "[ . 1 . 2]" 1
712 1 38 ASN HA 1 38 ASN HD22 . . 5.500 4.073 3.487 4.841 . 0 0 "[ . 1 . 2]" 1
713 1 38 ASN HA 1 39 GLY H . . 3.520 2.148 2.143 2.156 . 0 0 "[ . 1 . 2]" 1
714 1 39 GLY H 1 53 LEU MD1 . . 5.000 4.128 3.888 4.576 . 0 0 "[ . 1 . 2]" 1
715 1 39 GLY HA2 1 40 LEU H . . 3.340 2.585 2.279 2.751 . 0 0 "[ . 1 . 2]" 1
716 1 39 GLY HA2 1 40 LEU HB2 . . 4.700 4.307 4.213 4.367 . 0 0 "[ . 1 . 2]" 1
717 1 39 GLY HA2 1 53 LEU MD1 . . 3.750 2.197 1.930 2.822 . 0 0 "[ . 1 . 2]" 1
718 1 39 GLY HA3 1 40 LEU H . . 3.480 2.552 2.391 2.900 . 0 0 "[ . 1 . 2]" 1
719 1 39 GLY HA3 1 53 LEU MD1 . . 4.680 3.450 3.152 4.075 . 0 0 "[ . 1 . 2]" 1
720 1 39 GLY HA3 1 53 LEU HG . . 5.500 5.653 5.116 5.833 0.333 18 0 "[ . 1 . 2]" 1
721 1 40 LEU H 1 40 LEU HB3 . . 3.260 2.609 2.561 2.675 . 0 0 "[ . 1 . 2]" 1
722 1 40 LEU H 1 40 LEU MD1 . . 5.040 4.127 3.937 4.194 . 0 0 "[ . 1 . 2]" 1
723 1 40 LEU H 1 40 LEU MD2 . . 5.080 4.391 4.291 4.424 . 0 0 "[ . 1 . 2]" 1
724 1 40 LEU H 1 53 LEU MD1 . . 4.590 2.583 2.333 3.043 . 0 0 "[ . 1 . 2]" 1
725 1 40 LEU HA 1 40 LEU MD1 . . 3.240 1.985 1.930 2.048 . 0 0 "[ . 1 . 2]" 1
726 1 40 LEU HA 1 41 HIS H . . 3.090 2.342 2.299 2.365 . 0 0 "[ . 1 . 2]" 1
727 1 40 LEU HA 1 52 GLN QB . . 4.920 3.622 3.368 3.794 . 0 0 "[ . 1 . 2]" 1
728 1 40 LEU HA 1 53 LEU MD1 . . 5.500 2.935 2.766 3.170 . 0 0 "[ . 1 . 2]" 1
729 1 40 LEU HB2 1 40 LEU MD1 . . 3.520 2.349 2.324 2.386 . 0 0 "[ . 1 . 2]" 1
730 1 40 LEU HB2 1 41 HIS H . . 4.210 3.938 3.874 4.020 . 0 0 "[ . 1 . 2]" 1
731 1 40 LEU HB2 1 53 LEU MD2 . . 4.210 2.559 1.893 3.638 . 0 0 "[ . 1 . 2]" 1
732 1 40 LEU HB3 1 53 LEU MD2 . . 5.000 3.677 3.007 4.700 . 0 0 "[ . 1 . 2]" 1
733 1 40 LEU MD1 1 41 HIS H . . 3.510 2.030 1.900 2.299 . 0 0 "[ . 1 . 2]" 1
734 1 40 LEU MD1 1 41 HIS HB2 . . 5.500 4.598 4.519 4.749 . 0 0 "[ . 1 . 2]" 1
735 1 40 LEU MD1 1 44 TYR HB3 . . 5.500 3.614 3.554 3.656 . 0 0 "[ . 1 . 2]" 1
736 1 40 LEU MD1 1 44 TYR HD2 . . 4.010 2.343 2.303 2.390 . 0 0 "[ . 1 . 2]" 1
737 1 40 LEU MD1 1 44 TYR HE2 . . 4.690 2.872 2.799 2.958 . 0 0 "[ . 1 . 2]" 1
738 1 40 LEU MD1 1 49 GLY HA2 . . 3.800 2.173 1.978 2.324 . 0 0 "[ . 1 . 2]" 1
739 1 40 LEU MD1 1 49 GLY HA3 . . 5.050 3.213 3.004 3.331 . 0 0 "[ . 1 . 2]" 1
740 1 40 LEU MD1 1 52 GLN HB2 . . 3.510 2.513 2.101 2.802 . 0 0 "[ . 1 . 2]" 1
741 1 40 LEU MD1 1 52 GLN QB . . 3.000 1.841 1.788 1.871 . 0 0 "[ . 1 . 2]" 1
742 1 40 LEU MD1 1 52 GLN HB3 . . 3.510 1.904 1.875 1.952 . 0 0 "[ . 1 . 2]" 1
743 1 40 LEU MD1 1 52 GLN HE21 . . 5.500 3.089 2.126 4.754 . 0 0 "[ . 1 . 2]" 1
744 1 40 LEU MD1 1 52 GLN HE22 . . 5.500 4.197 3.514 4.615 . 0 0 "[ . 1 . 2]" 1
745 1 40 LEU MD1 1 52 GLN HG2 . . 4.770 3.755 3.551 3.874 . 0 0 "[ . 1 . 2]" 1
746 1 40 LEU MD1 1 52 GLN HG3 . . 3.470 2.630 2.522 2.710 . 0 0 "[ . 1 . 2]" 1
747 1 40 LEU MD1 1 53 LEU H . . 4.590 3.924 3.805 4.050 . 0 0 "[ . 1 . 2]" 1
748 1 40 LEU MD1 1 53 LEU HA . . 4.790 3.965 3.830 4.128 . 0 0 "[ . 1 . 2]" 1
749 1 40 LEU MD1 1 53 LEU MD2 . . 5.500 3.331 2.632 4.364 . 0 0 "[ . 1 . 2]" 1
750 1 40 LEU MD1 1 53 LEU HG . . 5.500 5.183 5.102 5.308 . 0 0 "[ . 1 . 2]" 1
751 1 40 LEU HG 1 42 GLY H . . 3.820 3.618 3.514 3.793 . 0 0 "[ . 1 . 2]" 1
752 1 41 HIS H 1 41 HIS HB2 . . 3.500 3.060 3.011 3.111 . 0 0 "[ . 1 . 2]" 1
753 1 41 HIS H 1 41 HIS HB3 . . 3.910 3.374 3.306 3.452 . 0 0 "[ . 1 . 2]" 1
754 1 41 HIS H 1 41 HIS HD2 . . 5.500 5.033 4.775 5.412 . 0 0 "[ . 1 . 2]" 1
755 1 41 HIS H 1 42 GLY H . . 4.040 3.666 3.651 3.676 . 0 0 "[ . 1 . 2]" 1
756 1 41 HIS H 1 44 TYR HD2 . . 5.100 3.605 3.357 3.793 . 0 0 "[ . 1 . 2]" 1
757 1 41 HIS H 1 44 TYR HE2 . . 4.010 3.239 2.985 3.405 . 0 0 "[ . 1 . 2]" 1
758 1 41 HIS HA 1 41 HIS HD2 . . 4.190 2.802 2.182 3.536 . 0 0 "[ . 1 . 2]" 1
759 1 41 HIS HA 1 42 GLY H . . 2.810 2.186 2.182 2.194 . 0 0 "[ . 1 . 2]" 1
760 1 41 HIS HB2 1 42 GLY H . . 4.730 4.636 4.623 4.645 . 0 0 "[ . 1 . 2]" 1
761 1 41 HIS HB3 1 42 GLY H . . 4.400 4.158 4.105 4.205 . 0 0 "[ . 1 . 2]" 1
762 1 42 GLY H 1 43 ASP H . . 4.410 4.444 4.364 4.472 0.062 17 0 "[ . 1 . 2]" 1
763 1 42 GLY H 1 44 TYR HE2 . . 4.370 4.097 3.904 4.179 . 0 0 "[ . 1 . 2]" 1
764 1 42 GLY QA 1 43 ASP QB . . 4.800 4.141 3.869 4.333 . 0 0 "[ . 1 . 2]" 1
765 1 42 GLY QA 1 44 TYR HE2 . . 3.800 2.458 2.213 2.630 . 0 0 "[ . 1 . 2]" 1
766 1 42 GLY HA2 1 43 ASP H . . 3.300 2.601 2.443 2.685 . 0 0 "[ . 1 . 2]" 1
767 1 42 GLY HA2 1 44 TYR HE2 . . 4.410 4.139 3.879 4.310 . 0 0 "[ . 1 . 2]" 1
768 1 42 GLY HA3 1 43 ASP H . . 3.300 2.525 2.446 2.688 . 0 0 "[ . 1 . 2]" 1
769 1 42 GLY HA3 1 44 TYR HE2 . . 4.410 2.476 2.226 2.654 . 0 0 "[ . 1 . 2]" 1
770 1 43 ASP H 1 43 ASP HB2 . . 3.790 3.318 2.519 3.640 . 0 0 "[ . 1 . 2]" 1
771 1 43 ASP H 1 43 ASP QB . . 3.310 2.631 2.188 2.817 . 0 0 "[ . 1 . 2]" 1
772 1 43 ASP H 1 43 ASP HB3 . . 3.790 2.920 2.264 3.666 . 0 0 "[ . 1 . 2]" 1
773 1 43 ASP H 1 44 TYR HD2 . . 5.500 4.442 4.197 4.701 . 0 0 "[ . 1 . 2]" 1
774 1 43 ASP H 1 44 TYR HE2 . . 4.610 4.234 3.896 4.624 0.014 8 0 "[ . 1 . 2]" 1
775 1 43 ASP HA 1 44 TYR H . . 3.210 2.151 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
776 1 44 TYR H 1 44 TYR HB3 . . 4.110 3.897 3.827 3.940 . 0 0 "[ . 1 . 2]" 1
777 1 44 TYR H 1 44 TYR HD2 . . 4.160 3.530 3.477 3.568 . 0 0 "[ . 1 . 2]" 1
778 1 44 TYR H 1 44 TYR HE2 . . 5.500 5.510 5.456 5.549 0.049 10 0 "[ . 1 . 2]" 1
779 1 44 TYR H 1 48 SER HB3 . . 5.500 5.322 5.157 5.465 . 0 0 "[ . 1 . 2]" 1
780 1 44 TYR HA 1 44 TYR HD1 . . 3.510 2.683 2.548 2.789 . 0 0 "[ . 1 . 2]" 1
781 1 44 TYR HA 1 44 TYR HD2 . . 4.390 4.290 4.236 4.363 . 0 0 "[ . 1 . 2]" 1
782 1 44 TYR HA 1 44 TYR HE1 . . 5.090 4.776 4.692 4.850 . 0 0 "[ . 1 . 2]" 1
783 1 44 TYR HA 1 45 ASP H . . 3.220 2.154 2.144 2.183 . 0 0 "[ . 1 . 2]" 1
784 1 44 TYR HA 1 48 SER HB3 . . 4.140 2.913 2.752 3.023 . 0 0 "[ . 1 . 2]" 1
785 1 44 TYR HA 1 49 GLY HA2 . . 5.160 4.921 4.854 5.070 . 0 0 "[ . 1 . 2]" 1
786 1 44 TYR HA 1 49 GLY HA3 . . 5.140 5.067 4.999 5.141 0.001 20 0 "[ . 1 . 2]" 1
787 1 44 TYR HB2 1 44 TYR HE2 . . 5.040 4.632 4.620 4.643 . 0 0 "[ . 1 . 2]" 1
788 1 44 TYR HB2 1 45 ASP H . . 4.310 4.182 4.096 4.238 . 0 0 "[ . 1 . 2]" 1
789 1 44 TYR HB2 1 45 ASP HA . . 5.500 5.321 5.252 5.365 . 0 0 "[ . 1 . 2]" 1
790 1 44 TYR HB2 1 49 GLY HA2 . . 5.500 2.616 2.482 2.753 . 0 0 "[ . 1 . 2]" 1
791 1 44 TYR HB3 1 44 TYR HD2 . . 3.650 3.567 3.521 3.600 . 0 0 "[ . 1 . 2]" 1
792 1 44 TYR HB3 1 44 TYR HE1 . . 4.840 4.752 4.726 4.786 . 0 0 "[ . 1 . 2]" 1
793 1 44 TYR HB3 1 44 TYR HE2 . . 5.450 5.360 5.330 5.382 . 0 0 "[ . 1 . 2]" 1
794 1 44 TYR HB3 1 45 ASP H . . 4.030 3.257 3.090 3.340 . 0 0 "[ . 1 . 2]" 1
795 1 44 TYR HB3 1 48 SER H . . 5.500 4.610 4.557 4.633 . 0 0 "[ . 1 . 2]" 1
796 1 44 TYR HB3 1 48 SER HA . . 4.310 4.348 4.282 4.380 0.070 10 0 "[ . 1 . 2]" 1
797 1 44 TYR HB3 1 48 SER HB3 . . 5.500 2.024 1.993 2.166 . 0 0 "[ . 1 . 2]" 1
798 1 44 TYR HB3 1 49 GLY H . . 3.890 2.529 2.491 2.565 . 0 0 "[ . 1 . 2]" 1
799 1 44 TYR HB3 1 49 GLY HA2 . . 5.500 2.506 2.449 2.643 . 0 0 "[ . 1 . 2]" 1
800 1 44 TYR HB3 1 49 GLY HA3 . . 4.810 3.022 2.978 3.066 . 0 0 "[ . 1 . 2]" 1
801 1 44 TYR HD1 1 49 GLY HA3 . . 5.460 5.510 5.468 5.562 0.102 15 0 "[ . 1 . 2]" 1
802 1 44 TYR HD1 1 52 GLN HG2 . . 5.500 4.727 4.324 5.221 . 0 0 "[ . 1 . 2]" 1
803 1 44 TYR HD1 1 52 GLN HG3 . . 5.110 4.365 4.127 4.531 . 0 0 "[ . 1 . 2]" 1
804 1 44 TYR HD2 1 48 SER HB3 . . 5.500 5.439 5.309 5.511 0.011 17 0 "[ . 1 . 2]" 1
805 1 44 TYR HD2 1 49 GLY HA2 . . 4.530 3.933 3.847 4.044 . 0 0 "[ . 1 . 2]" 1
806 1 44 TYR HD2 1 52 GLN HG3 . . 4.440 4.100 3.918 4.185 . 0 0 "[ . 1 . 2]" 1
807 1 44 TYR HE2 1 52 GLN QB . . 5.340 4.880 4.773 4.968 . 0 0 "[ . 1 . 2]" 1
808 1 44 TYR HE2 1 52 GLN HG2 . . 5.500 5.537 5.515 5.575 0.075 15 0 "[ . 1 . 2]" 1
809 1 44 TYR HE2 1 52 GLN HG3 . . 5.150 3.892 3.848 3.945 . 0 0 "[ . 1 . 2]" 1
810 1 45 ASP H 1 45 ASP QB . . 3.680 2.495 2.091 2.658 . 0 0 "[ . 1 . 2]" 1
811 1 45 ASP H 1 48 SER HB2 . . 4.610 2.638 2.122 2.927 . 0 0 "[ . 1 . 2]" 1
812 1 45 ASP H 1 48 SER HB3 . . 4.840 2.727 2.412 3.076 . 0 0 "[ . 1 . 2]" 1
813 1 45 ASP H 1 49 GLY H . . 5.400 3.602 3.488 3.696 . 0 0 "[ . 1 . 2]" 1
814 1 45 ASP H 1 49 GLY HA2 . . 5.500 5.460 5.396 5.532 0.032 16 0 "[ . 1 . 2]" 1
815 1 45 ASP HA 1 46 VAL H . . 3.360 2.641 2.583 2.655 . 0 0 "[ . 1 . 2]" 1
816 1 45 ASP HA 1 47 GLU H . . 5.060 4.743 4.722 4.773 . 0 0 "[ . 1 . 2]" 1
817 1 45 ASP HA 1 48 SER HB2 . . 5.500 4.754 4.305 5.057 . 0 0 "[ . 1 . 2]" 1
818 1 45 ASP HA 1 48 SER HB3 . . 5.500 5.079 4.679 5.484 . 0 0 "[ . 1 . 2]" 1
819 1 45 ASP QB 1 46 VAL H . . 3.390 2.067 1.945 2.691 . 0 0 "[ . 1 . 2]" 1
820 1 45 ASP HB2 1 46 VAL H . . 3.870 3.138 2.937 3.783 . 0 0 "[ . 1 . 2]" 1
821 1 45 ASP HB3 1 46 VAL H . . 3.870 2.099 1.963 2.753 . 0 0 "[ . 1 . 2]" 1
822 1 46 VAL H 1 46 VAL HB . . 3.470 2.642 2.632 2.664 . 0 0 "[ . 1 . 2]" 1
823 1 46 VAL H 1 46 VAL MG1 . . 3.400 1.848 1.815 1.864 . 0 0 "[ . 1 . 2]" 1
824 1 46 VAL H 1 46 VAL MG2 . . 4.550 3.761 3.758 3.763 . 0 0 "[ . 1 . 2]" 1
825 1 46 VAL H 1 47 GLU H . . 3.410 2.769 2.739 2.833 . 0 0 "[ . 1 . 2]" 1
826 1 46 VAL H 1 47 GLU HB2 . . 4.870 4.855 4.696 4.904 0.034 10 0 "[ . 1 . 2]" 1
827 1 46 VAL HA 1 46 VAL MG2 . . 3.500 2.372 2.342 2.406 . 0 0 "[ . 1 . 2]" 1
828 1 46 VAL HA 1 48 SER H . . 5.050 5.009 4.960 5.025 . 0 0 "[ . 1 . 2]" 1
829 1 46 VAL HB 1 47 GLU H . . 4.000 3.888 3.880 3.894 . 0 0 "[ . 1 . 2]" 1
830 1 46 VAL MG1 1 46 VAL MG2 . . 2.850 2.073 2.054 2.092 . 0 0 "[ . 1 . 2]" 1
831 1 46 VAL MG1 1 47 GLU H . . 3.300 1.908 1.856 1.926 . 0 0 "[ . 1 . 2]" 1
832 1 46 VAL MG1 1 47 GLU HA . . 3.750 3.453 3.429 3.520 . 0 0 "[ . 1 . 2]" 1
833 1 46 VAL MG1 1 47 GLU HB2 . . 4.970 3.317 2.778 3.498 . 0 0 "[ . 1 . 2]" 1
834 1 46 VAL MG1 1 47 GLU HB3 . . 4.730 4.304 4.196 4.344 . 0 0 "[ . 1 . 2]" 1
835 1 46 VAL MG1 1 47 GLU QG . . 3.460 2.288 1.952 3.337 . 0 0 "[ . 1 . 2]" 1
836 1 46 VAL MG1 1 48 SER H . . 4.730 4.082 4.009 4.113 . 0 0 "[ . 1 . 2]" 1
837 1 46 VAL MG2 1 47 GLU H . . 3.700 3.278 3.184 3.310 . 0 0 "[ . 1 . 2]" 1
838 1 46 VAL MG2 1 47 GLU HA . . 4.000 3.352 3.280 3.404 . 0 0 "[ . 1 . 2]" 1
839 1 46 VAL MG2 1 47 GLU HB2 . . 5.490 4.745 4.153 4.931 . 0 0 "[ . 1 . 2]" 1
840 1 46 VAL MG2 1 47 GLU HB3 . . 5.500 5.192 5.176 5.231 . 0 0 "[ . 1 . 2]" 1
841 1 46 VAL MG2 1 47 GLU QG . . 4.090 3.283 3.098 3.814 . 0 0 "[ . 1 . 2]" 1
842 1 46 VAL MG2 1 50 LEU MD2 . . 4.260 3.451 3.328 3.621 . 0 0 "[ . 1 . 2]" 1
843 1 47 GLU H 1 47 GLU HB3 . . 4.090 3.515 3.219 3.592 . 0 0 "[ . 1 . 2]" 1
844 1 47 GLU H 1 47 GLU QG . . 3.630 2.706 2.374 3.534 . 0 0 "[ . 1 . 2]" 1
845 1 47 GLU H 1 48 SER H . . 3.540 2.630 2.590 2.648 . 0 0 "[ . 1 . 2]" 1
846 1 47 GLU HA 1 47 GLU HG2 . . 3.470 2.742 2.475 3.106 . 0 0 "[ . 1 . 2]" 1
847 1 47 GLU HA 1 47 GLU QG . . 2.990 2.427 2.221 2.609 . 0 0 "[ . 1 . 2]" 1
848 1 47 GLU HA 1 47 GLU HG3 . . 3.470 2.835 2.446 3.565 0.095 7 0 "[ . 1 . 2]" 1
849 1 47 GLU HA 1 48 SER HA . . 5.420 4.823 4.812 4.842 . 0 0 "[ . 1 . 2]" 1
850 1 47 GLU HA 1 50 LEU H . . 4.330 3.588 3.445 3.679 . 0 0 "[ . 1 . 2]" 1
851 1 47 GLU HA 1 50 LEU HB3 . . 3.960 2.475 2.277 2.562 . 0 0 "[ . 1 . 2]" 1
852 1 47 GLU HA 1 50 LEU MD2 . . 4.050 2.973 2.780 3.105 . 0 0 "[ . 1 . 2]" 1
853 1 47 GLU HA 1 51 GLN H . . 4.120 3.993 3.812 4.099 . 0 0 "[ . 1 . 2]" 1
854 1 47 GLU HB2 1 48 SER H . . 4.140 2.518 2.360 3.044 . 0 0 "[ . 1 . 2]" 1
855 1 47 GLU HB2 1 49 GLY H . . 5.500 5.153 5.034 5.511 0.011 20 0 "[ . 1 . 2]" 1
856 1 47 GLU HB2 1 50 LEU H . . 5.500 5.570 5.488 5.612 0.112 16 0 "[ . 1 . 2]" 1
857 1 47 GLU HB2 1 69 TRP HH2 . . 5.500 5.531 5.516 5.549 0.049 5 0 "[ . 1 . 2]" 1
858 1 47 GLU HB3 1 47 GLU QG . . 2.490 2.248 2.144 2.345 . 0 0 "[ . 1 . 2]" 1
859 1 47 GLU HB3 1 48 SER H . . 3.340 3.199 2.635 3.353 0.013 9 0 "[ . 1 . 2]" 1
860 1 47 GLU HB3 1 50 LEU MD2 . . 5.500 4.676 4.563 5.042 . 0 0 "[ . 1 . 2]" 1
861 1 47 GLU QG 1 50 LEU MD2 . . 4.750 3.759 3.243 3.961 . 0 0 "[ . 1 . 2]" 1
862 1 47 GLU QG 1 69 TRP HH2 . . 4.290 3.114 2.767 3.924 . 0 0 "[ . 1 . 2]" 1
863 1 47 GLU QG 1 69 TRP HZ2 . . 4.770 3.887 3.597 4.618 . 0 0 "[ . 1 . 2]" 1
864 1 47 GLU QG 1 69 TRP HZ3 . . 4.200 3.379 2.985 3.685 . 0 0 "[ . 1 . 2]" 1
865 1 47 GLU HG2 1 50 LEU HB3 . . 5.500 4.995 4.331 5.492 . 0 0 "[ . 1 . 2]" 1
866 1 47 GLU HG2 1 50 LEU MD2 . . 5.500 4.059 3.614 4.535 . 0 0 "[ . 1 . 2]" 1
867 1 47 GLU HG2 1 69 TRP HH2 . . 4.950 3.318 2.822 4.958 0.008 1 0 "[ . 1 . 2]" 1
868 1 47 GLU HG2 1 69 TRP HZ3 . . 4.960 3.527 3.030 4.289 . 0 0 "[ . 1 . 2]" 1
869 1 47 GLU HG3 1 50 LEU HB3 . . 5.500 5.146 4.638 5.588 0.088 20 0 "[ . 1 . 2]" 1
870 1 47 GLU HG3 1 50 LEU MD2 . . 5.500 4.519 3.668 4.904 . 0 0 "[ . 1 . 2]" 1
871 1 47 GLU HG3 1 69 TRP HH2 . . 4.950 3.974 3.663 4.112 . 0 0 "[ . 1 . 2]" 1
872 1 47 GLU HG3 1 69 TRP HZ3 . . 4.960 4.681 3.861 4.979 0.019 12 0 "[ . 1 . 2]" 1
873 1 48 SER H 1 48 SER HB2 . . 3.620 2.116 2.072 2.177 . 0 0 "[ . 1 . 2]" 1
874 1 48 SER H 1 48 SER HB3 . . 4.130 3.206 2.977 3.452 . 0 0 "[ . 1 . 2]" 1
875 1 48 SER H 1 49 GLY H . . 3.640 2.874 2.855 2.906 . 0 0 "[ . 1 . 2]" 1
876 1 48 SER H 1 50 LEU HB3 . . 4.930 4.883 4.766 4.941 0.011 14 0 "[ . 1 . 2]" 1
877 1 48 SER HA 1 49 GLY HA2 . . 4.920 4.770 4.742 4.787 . 0 0 "[ . 1 . 2]" 1
878 1 48 SER HA 1 51 GLN H . . 4.390 3.933 3.799 4.042 . 0 0 "[ . 1 . 2]" 1
879 1 48 SER HB2 1 49 GLY H . . 4.960 3.145 2.788 3.431 . 0 0 "[ . 1 . 2]" 1
880 1 48 SER HB3 1 49 GLY H . . 5.120 2.604 2.399 2.914 . 0 0 "[ . 1 . 2]" 1
881 1 48 SER HB3 1 49 GLY HA3 . . 5.500 4.292 4.178 4.513 . 0 0 "[ . 1 . 2]" 1
882 1 49 GLY H 1 50 LEU H . . 3.800 2.705 2.624 2.749 . 0 0 "[ . 1 . 2]" 1
883 1 49 GLY H 1 50 LEU HB3 . . 4.580 4.563 4.501 4.592 0.012 10 0 "[ . 1 . 2]" 1
884 1 49 GLY H 1 51 GLN H . . 4.920 4.489 4.335 4.573 . 0 0 "[ . 1 . 2]" 1
885 1 49 GLY H 1 52 GLN H . . 5.110 4.767 4.729 4.824 . 0 0 "[ . 1 . 2]" 1
886 1 49 GLY HA2 1 52 GLN H . . 3.590 3.365 3.306 3.436 . 0 0 "[ . 1 . 2]" 1
887 1 49 GLY HA3 1 52 GLN H . . 4.820 4.443 4.394 4.499 . 0 0 "[ . 1 . 2]" 1
888 1 49 GLY HA3 1 52 GLN QB . . 4.600 3.754 3.653 3.845 . 0 0 "[ . 1 . 2]" 1
889 1 49 GLY HA3 1 52 GLN HG3 . . 5.500 5.521 5.317 5.573 0.073 8 0 "[ . 1 . 2]" 1
890 1 50 LEU H 1 50 LEU HB2 . . 4.090 2.862 2.838 2.906 . 0 0 "[ . 1 . 2]" 1
891 1 50 LEU H 1 50 LEU HB3 . . 4.080 2.197 2.168 2.216 . 0 0 "[ . 1 . 2]" 1
892 1 50 LEU H 1 50 LEU MD1 . . 4.700 4.185 4.174 4.208 . 0 0 "[ . 1 . 2]" 1
893 1 50 LEU H 1 50 LEU MD2 . . 4.600 4.153 4.108 4.177 . 0 0 "[ . 1 . 2]" 1
894 1 50 LEU H 1 51 GLN H . . 3.260 2.869 2.725 2.929 . 0 0 "[ . 1 . 2]" 1
895 1 50 LEU H 1 51 GLN HB2 . . 5.500 5.089 4.961 5.160 . 0 0 "[ . 1 . 2]" 1
896 1 50 LEU H 1 51 GLN HG2 . . 4.920 4.707 4.565 4.879 . 0 0 "[ . 1 . 2]" 1
897 1 50 LEU H 1 51 GLN HG3 . . 5.450 5.438 5.254 5.500 0.050 9 0 "[ . 1 . 2]" 1
898 1 50 LEU HA 1 50 LEU MD1 . . 3.350 2.180 2.142 2.220 . 0 0 "[ . 1 . 2]" 1
899 1 50 LEU HA 1 50 LEU MD2 . . 4.650 3.939 3.928 3.966 . 0 0 "[ . 1 . 2]" 1
900 1 50 LEU HA 1 51 GLN HA . . 5.010 4.759 4.739 4.769 . 0 0 "[ . 1 . 2]" 1
901 1 50 LEU HA 1 53 LEU H . . 5.500 3.501 3.450 3.603 . 0 0 "[ . 1 . 2]" 1
902 1 50 LEU HA 1 53 LEU QB . . 4.720 2.870 2.774 2.991 . 0 0 "[ . 1 . 2]" 1
903 1 50 LEU HA 1 53 LEU MD2 . . 4.040 2.837 2.556 3.334 . 0 0 "[ . 1 . 2]" 1
904 1 50 LEU HB3 1 51 GLN H . . 3.630 2.595 2.550 2.707 . 0 0 "[ . 1 . 2]" 1
905 1 50 LEU HB3 1 51 GLN HA . . 4.900 4.698 4.645 4.742 . 0 0 "[ . 1 . 2]" 1
906 1 50 LEU MD1 1 51 GLN H . . 4.490 3.818 3.763 3.977 . 0 0 "[ . 1 . 2]" 1
907 1 50 LEU MD1 1 51 GLN HA . . 4.490 3.492 3.394 3.737 . 0 0 "[ . 1 . 2]" 1
908 1 50 LEU MD1 1 51 GLN QE . . 5.340 3.716 3.471 4.012 . 0 0 "[ . 1 . 2]" 1
909 1 50 LEU MD1 1 51 GLN HG2 . . 5.160 4.093 3.914 4.303 . 0 0 "[ . 1 . 2]" 1
910 1 50 LEU MD1 1 53 LEU QB . . 4.340 3.238 3.124 3.450 . 0 0 "[ . 1 . 2]" 1
911 1 50 LEU MD1 1 53 LEU MD2 . . 4.610 3.753 3.385 4.112 . 0 0 "[ . 1 . 2]" 1
912 1 50 LEU MD2 1 51 GLN H . . 4.920 3.919 3.852 4.076 . 0 0 "[ . 1 . 2]" 1
913 1 50 LEU MD2 1 51 GLN QE . . 5.340 3.739 3.515 4.000 . 0 0 "[ . 1 . 2]" 1
914 1 50 LEU MD2 1 61 VAL HB . . 5.500 3.453 3.133 3.697 . 0 0 "[ . 1 . 2]" 1
915 1 50 LEU MD2 1 69 TRP HE3 . . 5.500 3.760 3.467 4.191 . 0 0 "[ . 1 . 2]" 1
916 1 50 LEU HG 1 51 GLN HA . . 3.630 3.072 3.046 3.130 . 0 0 "[ . 1 . 2]" 1
917 1 50 LEU HG 1 51 GLN HE21 . . 4.890 3.124 2.836 3.378 . 0 0 "[ . 1 . 2]" 1
918 1 50 LEU HG 1 51 GLN HE22 . . 4.890 4.669 4.435 4.848 . 0 0 "[ . 1 . 2]" 1
919 1 50 LEU HG 1 51 GLN HG2 . . 4.520 2.560 2.363 2.766 . 0 0 "[ . 1 . 2]" 1
920 1 51 GLN H 1 51 GLN HB2 . . 3.060 2.565 2.542 2.585 . 0 0 "[ . 1 . 2]" 1
921 1 51 GLN H 1 51 GLN HB3 . . 3.730 3.592 3.590 3.595 . 0 0 "[ . 1 . 2]" 1
922 1 51 GLN H 1 51 GLN HG2 . . 3.630 2.187 2.137 2.273 . 0 0 "[ . 1 . 2]" 1
923 1 51 GLN H 1 51 GLN HG3 . . 3.480 3.059 3.013 3.116 . 0 0 "[ . 1 . 2]" 1
924 1 51 GLN HA 1 51 GLN QE . . 5.070 2.269 2.049 2.585 . 0 0 "[ . 1 . 2]" 1
925 1 51 GLN HA 1 51 GLN HG2 . . 3.030 2.674 2.612 2.720 . 0 0 "[ . 1 . 2]" 1
926 1 51 GLN HA 1 51 GLN HG3 . . 3.950 3.797 3.771 3.811 . 0 0 "[ . 1 . 2]" 1
927 1 51 GLN HA 1 52 GLN HA . . 5.160 4.736 4.722 4.756 . 0 0 "[ . 1 . 2]" 1
928 1 51 GLN HA 1 53 LEU H . . 4.660 4.009 3.988 4.032 . 0 0 "[ . 1 . 2]" 1
929 1 51 GLN HA 1 54 LEU H . . 3.860 3.660 3.568 3.723 . 0 0 "[ . 1 . 2]" 1
930 1 51 GLN HA 1 54 LEU QB . . 4.380 4.154 3.871 4.292 . 0 0 "[ . 1 . 2]" 1
931 1 51 GLN HA 1 54 LEU MD2 . . 4.940 3.460 1.842 4.340 . 0 0 "[ . 1 . 2]" 1
932 1 51 GLN HA 1 55 ASP H . . 5.500 4.195 4.132 4.246 . 0 0 "[ . 1 . 2]" 1
933 1 51 GLN HB2 1 51 GLN HE22 . . 5.140 4.994 4.920 5.060 . 0 0 "[ . 1 . 2]" 1
934 1 51 GLN HB2 1 52 GLN H . . 3.020 2.991 2.959 3.005 . 0 0 "[ . 1 . 2]" 1
935 1 51 GLN HB2 1 52 GLN HA . . 4.500 4.301 4.277 4.326 . 0 0 "[ . 1 . 2]" 1
936 1 51 GLN HB2 1 53 LEU H . . 5.270 5.091 5.078 5.108 . 0 0 "[ . 1 . 2]" 1
937 1 51 GLN HB3 1 52 GLN H . . 4.240 4.005 3.980 4.026 . 0 0 "[ . 1 . 2]" 1
938 1 51 GLN HB3 1 53 LEU H . . 5.500 5.519 5.501 5.534 0.034 15 0 "[ . 1 . 2]" 1
939 1 51 GLN QE 1 51 GLN HG2 . . 3.450 2.352 2.235 2.473 . 0 0 "[ . 1 . 2]" 1
940 1 51 GLN QE 1 71 LEU MD1 . . 4.510 3.167 2.940 3.338 . 0 0 "[ . 1 . 2]" 1
941 1 51 GLN QE 1 71 LEU HG . . 5.270 5.236 4.932 5.303 0.033 17 0 "[ . 1 . 2]" 1
942 1 51 GLN HE22 1 51 GLN HG2 . . 4.020 3.544 3.493 3.598 . 0 0 "[ . 1 . 2]" 1
943 1 51 GLN HG2 1 52 GLN H . . 4.590 4.390 4.355 4.442 . 0 0 "[ . 1 . 2]" 1
944 1 51 GLN HG3 1 52 GLN H . . 5.030 4.811 4.767 4.866 . 0 0 "[ . 1 . 2]" 1
945 1 52 GLN H 1 52 GLN HB2 . . 3.620 2.106 2.081 2.143 . 0 0 "[ . 1 . 2]" 1
946 1 52 GLN H 1 52 GLN QB . . 2.980 2.081 2.059 2.105 . 0 0 "[ . 1 . 2]" 1
947 1 52 GLN H 1 52 GLN HB3 . . 3.620 3.260 3.087 3.396 . 0 0 "[ . 1 . 2]" 1
948 1 52 GLN H 1 52 GLN HE21 . . 5.500 5.347 5.122 5.530 0.030 5 0 "[ . 1 . 2]" 1
949 1 52 GLN H 1 52 GLN HG2 . . 4.170 3.602 3.291 3.939 . 0 0 "[ . 1 . 2]" 1
950 1 52 GLN H 1 52 GLN HG3 . . 4.350 4.361 4.242 4.442 0.092 16 0 "[ . 1 . 2]" 1
951 1 52 GLN H 1 53 LEU H . . 3.010 2.459 2.430 2.505 . 0 0 "[ . 1 . 2]" 1
952 1 52 GLN H 1 55 ASP H . . 5.500 4.618 4.584 4.645 . 0 0 "[ . 1 . 2]" 1
953 1 52 GLN HA 1 52 GLN HE21 . . 4.050 3.476 2.948 3.892 . 0 0 "[ . 1 . 2]" 1
954 1 52 GLN HA 1 52 GLN HE22 . . 4.540 3.808 3.551 4.126 . 0 0 "[ . 1 . 2]" 1
955 1 52 GLN HA 1 52 GLN HG2 . . 3.780 2.587 2.306 2.723 . 0 0 "[ . 1 . 2]" 1
956 1 52 GLN HA 1 53 LEU HA . . 5.500 4.743 4.731 4.749 . 0 0 "[ . 1 . 2]" 1
957 1 52 GLN HA 1 55 ASP H . . 4.380 3.518 3.488 3.563 . 0 0 "[ . 1 . 2]" 1
958 1 52 GLN HA 1 55 ASP HA . . 4.660 4.548 4.497 4.623 . 0 0 "[ . 1 . 2]" 1
959 1 52 GLN HA 1 55 ASP HB2 . . 4.140 2.551 2.045 3.378 . 0 0 "[ . 1 . 2]" 1
960 1 52 GLN HA 1 55 ASP QB . . 3.540 2.160 2.030 2.334 . 0 0 "[ . 1 . 2]" 1
961 1 52 GLN HA 1 55 ASP HB3 . . 4.140 2.788 2.056 3.582 . 0 0 "[ . 1 . 2]" 1
962 1 52 GLN QB 1 53 LEU H . . 3.200 2.959 2.930 2.985 . 0 0 "[ . 1 . 2]" 1
963 1 52 GLN HE21 1 52 GLN HG3 . . 3.470 2.663 2.408 3.244 . 0 0 "[ . 1 . 2]" 1
964 1 52 GLN HE21 1 55 ASP QB . . 5.340 4.219 3.342 4.768 . 0 0 "[ . 1 . 2]" 1
965 1 52 GLN HE22 1 52 GLN HG3 . . 3.850 3.667 3.552 3.939 0.089 17 0 "[ . 1 . 2]" 1
966 1 52 GLN HE22 1 55 ASP QB . . 5.000 3.853 3.549 4.204 . 0 0 "[ . 1 . 2]" 1
967 1 52 GLN HG2 1 53 LEU H . . 5.280 5.121 5.026 5.186 . 0 0 "[ . 1 . 2]" 1
968 1 53 LEU H 1 53 LEU QB . . 3.470 2.081 2.045 2.120 . 0 0 "[ . 1 . 2]" 1
969 1 53 LEU H 1 53 LEU MD1 . . 5.400 3.306 2.674 3.700 . 0 0 "[ . 1 . 2]" 1
970 1 53 LEU H 1 53 LEU MD2 . . 4.030 3.054 2.513 3.877 . 0 0 "[ . 1 . 2]" 1
971 1 53 LEU H 1 54 LEU H . . 3.350 2.666 2.630 2.687 . 0 0 "[ . 1 . 2]" 1
972 1 53 LEU H 1 55 ASP H . . 4.190 3.486 3.472 3.506 . 0 0 "[ . 1 . 2]" 1
973 1 53 LEU HA 1 53 LEU MD1 . . 3.540 1.895 1.808 2.022 . 0 0 "[ . 1 . 2]" 1
974 1 53 LEU HA 1 53 LEU MD2 . . 4.620 3.244 2.878 3.759 . 0 0 "[ . 1 . 2]" 1
975 1 53 LEU HA 1 53 LEU HG . . 4.120 3.253 2.791 3.562 . 0 0 "[ . 1 . 2]" 1
976 1 53 LEU HA 1 55 ASP H . . 4.170 3.888 3.850 3.929 . 0 0 "[ . 1 . 2]" 1
977 1 53 LEU QB 1 54 LEU H . . 2.920 2.431 2.409 2.455 . 0 0 "[ . 1 . 2]" 1
978 1 53 LEU MD1 1 54 LEU H . . 5.500 4.391 4.327 4.435 . 0 0 "[ . 1 . 2]" 1
979 1 54 LEU H 1 54 LEU MD1 . . 3.900 2.524 1.825 3.822 . 0 0 "[ . 1 . 2]" 1
980 1 54 LEU H 1 55 ASP H . . 3.130 2.491 2.468 2.506 . 0 0 "[ . 1 . 2]" 1
981 1 54 LEU H 1 55 ASP HA . . 5.500 4.826 4.797 4.859 . 0 0 "[ . 1 . 2]" 1
982 1 54 LEU H 1 55 ASP QB . . 4.440 4.233 4.162 4.283 . 0 0 "[ . 1 . 2]" 1
983 1 54 LEU HA 1 55 ASP H . . 3.540 3.299 3.280 3.314 . 0 0 "[ . 1 . 2]" 1
984 1 54 LEU HB2 1 55 ASP HA . . 5.500 5.408 5.361 5.485 . 0 0 "[ . 1 . 2]" 1
985 1 54 LEU HB3 1 55 ASP HA . . 5.500 5.525 5.444 5.556 0.056 20 0 "[ . 1 . 2]" 1
986 1 54 LEU MD1 1 55 ASP H . . 5.150 3.068 2.159 4.732 . 0 0 "[ . 1 . 2]" 1
987 1 54 LEU MD2 1 55 ASP H . . 4.430 3.212 2.308 3.707 . 0 0 "[ . 1 . 2]" 1
988 1 54 LEU MD2 1 56 GLY H . . 5.500 3.495 3.189 3.972 . 0 0 "[ . 1 . 2]" 1
989 1 54 LEU MD2 1 57 SER H . . 4.140 3.294 2.786 4.039 . 0 0 "[ . 1 . 2]" 1
990 1 55 ASP H 1 55 ASP HB2 . . 3.350 2.743 2.074 3.481 0.131 4 0 "[ . 1 . 2]" 1
991 1 55 ASP H 1 55 ASP HB3 . . 3.350 2.542 2.112 3.273 . 0 0 "[ . 1 . 2]" 1
992 1 55 ASP H 1 56 GLY H . . 4.870 4.500 4.450 4.593 . 0 0 "[ . 1 . 2]" 1
993 1 55 ASP H 1 57 SER H . . 5.500 5.376 5.112 5.528 0.028 20 0 "[ . 1 . 2]" 1
994 1 55 ASP HA 1 56 GLY H . . 3.050 2.154 2.142 2.183 . 0 0 "[ . 1 . 2]" 1
995 1 55 ASP HA 1 56 GLY HA2 . . 5.080 4.405 4.376 4.468 . 0 0 "[ . 1 . 2]" 1
996 1 55 ASP HA 1 56 GLY QA . . 4.310 3.917 3.906 3.944 . 0 0 "[ . 1 . 2]" 1
997 1 55 ASP HA 1 56 GLY HA3 . . 5.080 4.390 4.371 4.399 . 0 0 "[ . 1 . 2]" 1
998 1 55 ASP HA 1 57 SER H . . 4.310 3.553 3.336 3.761 . 0 0 "[ . 1 . 2]" 1
999 1 55 ASP QB 1 56 GLY H . . 3.930 3.617 3.179 3.844 . 0 0 "[ . 1 . 2]" 1
1000 1 55 ASP QB 1 57 SER H . . 5.340 5.157 4.830 5.367 0.027 14 0 "[ . 1 . 2]" 1
1001 1 56 GLY H 1 57 SER H . . 3.610 2.054 1.895 2.358 . 0 0 "[ . 1 . 2]" 1
1002 1 56 GLY H 1 57 SER HA . . 5.150 4.522 4.399 4.759 . 0 0 "[ . 1 . 2]" 1
1003 1 56 GLY H 1 57 SER HG . . 5.400 4.169 3.904 4.740 . 0 0 "[ . 1 . 2]" 1
1004 1 57 SER H 1 57 SER HB2 . . 3.780 3.643 3.539 3.726 . 0 0 "[ . 1 . 2]" 1
1005 1 57 SER H 1 57 SER HB3 . . 3.480 3.247 3.144 3.324 . 0 0 "[ . 1 . 2]" 1
1006 1 57 SER H 1 57 SER HG . . 3.210 2.425 2.187 2.863 . 0 0 "[ . 1 . 2]" 1
1007 1 57 SER H 1 58 GLY H . . 3.010 2.062 1.902 2.409 . 0 0 "[ . 1 . 2]" 1
1008 1 57 SER HB2 1 59 LEU MD1 . . 3.370 2.326 1.925 2.743 . 0 0 "[ . 1 . 2]" 1
1009 1 57 SER HG 1 58 GLY H . . 3.680 2.038 1.942 2.394 . 0 0 "[ . 1 . 2]" 1
1010 1 57 SER HG 1 59 LEU H . . 4.040 3.951 3.507 4.051 0.011 17 0 "[ . 1 . 2]" 1
1011 1 58 GLY H 1 58 GLY HA2 . . 2.920 2.341 2.302 2.406 . 0 0 "[ . 1 . 2]" 1
1012 1 58 GLY H 1 58 GLY HA3 . . 2.940 2.905 2.847 2.946 0.006 4 0 "[ . 1 . 2]" 1
1013 1 58 GLY H 1 59 LEU H . . 3.320 3.196 2.835 3.336 0.016 12 0 "[ . 1 . 2]" 1
1014 1 58 GLY H 1 59 LEU HA . . 5.390 5.212 5.064 5.317 . 0 0 "[ . 1 . 2]" 1
1015 1 58 GLY H 1 59 LEU HB2 . . 5.010 4.467 4.183 4.653 . 0 0 "[ . 1 . 2]" 1
1016 1 58 GLY H 1 59 LEU MD1 . . 4.000 3.018 2.763 3.623 . 0 0 "[ . 1 . 2]" 1
1017 1 58 GLY HA2 1 59 LEU H . . 3.480 2.257 2.207 2.406 . 0 0 "[ . 1 . 2]" 1
1018 1 58 GLY HA2 1 59 LEU HB2 . . 4.770 4.631 4.548 4.762 . 0 0 "[ . 1 . 2]" 1
1019 1 58 GLY HA3 1 59 LEU HB2 . . 5.500 5.486 5.378 5.534 0.034 11 0 "[ . 1 . 2]" 1
1020 1 58 GLY HA3 1 59 LEU MD1 . . 4.980 4.251 4.033 4.547 . 0 0 "[ . 1 . 2]" 1
1021 1 59 LEU H 1 59 LEU MD1 . . 3.190 3.035 2.917 3.132 . 0 0 "[ . 1 . 2]" 1
1022 1 59 LEU H 1 59 LEU HG . . 4.760 4.008 3.838 4.205 . 0 0 "[ . 1 . 2]" 1
1023 1 59 LEU H 1 60 GLN H . . 4.560 4.426 4.403 4.451 . 0 0 "[ . 1 . 2]" 1
1024 1 59 LEU H 1 61 VAL MG2 . . 5.500 4.908 4.824 5.067 . 0 0 "[ . 1 . 2]" 1
1025 1 59 LEU HA 1 59 LEU MD1 . . 4.490 3.364 3.180 3.537 . 0 0 "[ . 1 . 2]" 1
1026 1 59 LEU HA 1 60 GLN H . . 3.230 2.522 2.503 2.552 . 0 0 "[ . 1 . 2]" 1
1027 1 59 LEU HA 1 73 PRO HA . . 5.500 3.862 3.551 4.074 . 0 0 "[ . 1 . 2]" 1
1028 1 59 LEU HA 1 74 ALA H . . 3.810 2.948 2.499 3.349 . 0 0 "[ . 1 . 2]" 1
1029 1 59 LEU HA 1 74 ALA HA . . 5.500 5.005 4.478 5.583 0.083 7 0 "[ . 1 . 2]" 1
1030 1 59 LEU HB2 1 60 GLN H . . 3.940 3.598 3.505 3.691 . 0 0 "[ . 1 . 2]" 1
1031 1 59 LEU HB2 1 61 VAL MG2 . . 5.240 4.199 4.049 4.475 . 0 0 "[ . 1 . 2]" 1
1032 1 59 LEU HB3 1 61 VAL MG2 . . 4.960 4.013 3.703 4.228 . 0 0 "[ . 1 . 2]" 1
1033 1 59 LEU MD2 1 60 GLN H . . 3.980 3.351 2.914 3.498 . 0 0 "[ . 1 . 2]" 1
1034 1 59 LEU MD2 1 60 GLN HE21 . . 5.500 4.053 3.843 4.607 . 0 0 "[ . 1 . 2]" 1
1035 1 59 LEU MD2 1 60 GLN HE22 . . 5.500 5.105 4.902 5.193 . 0 0 "[ . 1 . 2]" 1
1036 1 59 LEU MD2 1 72 GLU HA . . 4.490 3.262 2.872 3.638 . 0 0 "[ . 1 . 2]" 1
1037 1 59 LEU MD2 1 73 PRO HA . . 3.500 2.031 1.925 2.295 . 0 0 "[ . 1 . 2]" 1
1038 1 59 LEU MD2 1 73 PRO QB . . 4.060 3.154 2.652 3.416 . 0 0 "[ . 1 . 2]" 1
1039 1 59 LEU MD2 1 74 ALA H . . 3.990 3.456 3.247 3.818 . 0 0 "[ . 1 . 2]" 1
1040 1 59 LEU HG 1 60 GLN H . . 4.330 3.831 3.421 4.103 . 0 0 "[ . 1 . 2]" 1
1041 1 59 LEU HG 1 60 GLN QE . . 5.340 4.906 4.470 5.395 0.055 7 0 "[ . 1 . 2]" 1
1042 1 60 GLN H 1 60 GLN QE . . 5.340 2.780 2.249 3.750 . 0 0 "[ . 1 . 2]" 1
1043 1 60 GLN H 1 60 GLN QG . . 3.050 2.267 1.788 2.449 . 0 0 "[ . 1 . 2]" 1
1044 1 60 GLN H 1 61 VAL H . . 5.500 4.491 4.307 4.524 . 0 0 "[ . 1 . 2]" 1
1045 1 60 GLN H 1 71 LEU HA . . 5.160 4.735 4.482 5.084 . 0 0 "[ . 1 . 2]" 1
1046 1 60 GLN H 1 72 GLU H . . 3.690 3.205 2.940 3.716 0.026 7 0 "[ . 1 . 2]" 1
1047 1 60 GLN H 1 73 PRO HA . . 4.580 4.241 3.760 4.523 . 0 0 "[ . 1 . 2]" 1
1048 1 60 GLN H 1 74 ALA H . . 4.170 3.821 3.410 4.147 . 0 0 "[ . 1 . 2]" 1
1049 1 60 GLN HA 1 60 GLN QG . . 3.590 3.328 3.312 3.402 . 0 0 "[ . 1 . 2]" 1
1050 1 60 GLN HB3 1 74 ALA HA . . 5.230 4.374 4.028 4.931 . 0 0 "[ . 1 . 2]" 1
1051 1 60 GLN HB3 1 74 ALA MB . . 3.070 2.563 2.190 3.047 . 0 0 "[ . 1 . 2]" 1
1052 1 60 GLN QE 1 60 GLN QG . . 3.060 2.185 2.067 2.294 . 0 0 "[ . 1 . 2]" 1
1053 1 60 GLN QE 1 62 LYS QD . . 4.530 4.280 2.930 4.555 0.025 19 0 "[ . 1 . 2]" 1
1054 1 60 GLN QE 1 73 PRO HD2 . . 4.190 3.834 3.558 4.179 . 0 0 "[ . 1 . 2]" 1
1055 1 60 GLN QE 1 74 ALA HA . . 4.660 2.304 1.911 2.671 . 0 0 "[ . 1 . 2]" 1
1056 1 60 GLN QE 1 74 ALA MB . . 4.970 2.723 2.220 3.601 . 0 0 "[ . 1 . 2]" 1
1057 1 60 GLN HE21 1 73 PRO HD2 . . 4.800 4.229 3.919 4.656 . 0 0 "[ . 1 . 2]" 1
1058 1 60 GLN HE21 1 75 PRO HD2 . . 5.500 4.982 4.235 5.355 . 0 0 "[ . 1 . 2]" 1
1059 1 60 GLN HE21 1 75 PRO HD3 . . 5.500 5.004 3.809 5.509 0.009 4 0 "[ . 1 . 2]" 1
1060 1 60 GLN HE22 1 73 PRO HD2 . . 4.800 4.407 4.080 4.836 0.036 8 0 "[ . 1 . 2]" 1
1061 1 60 GLN HE22 1 75 PRO HD2 . . 5.500 4.512 3.892 5.598 0.098 7 0 "[ . 1 . 2]" 1
1062 1 60 GLN HE22 1 75 PRO HD3 . . 5.500 4.148 3.418 5.001 . 0 0 "[ . 1 . 2]" 1
1063 1 60 GLN QG 1 72 GLU H . . 4.030 2.974 2.498 4.225 0.195 13 0 "[ . 1 . 2]" 1
1064 1 60 GLN QG 1 74 ALA HA . . 5.160 4.333 1.953 5.120 . 0 0 "[ . 1 . 2]" 1
1065 1 60 GLN QG 1 74 ALA MB . . 4.080 3.363 1.797 4.086 0.006 10 0 "[ . 1 . 2]" 1
1066 1 61 VAL H 1 61 VAL HB . . 3.510 2.861 2.689 3.073 . 0 0 "[ . 1 . 2]" 1
1067 1 61 VAL H 1 61 VAL MG2 . . 3.360 2.603 2.329 2.690 . 0 0 "[ . 1 . 2]" 1
1068 1 61 VAL H 1 62 LYS H . . 4.620 4.317 4.220 4.534 . 0 0 "[ . 1 . 2]" 1
1069 1 61 VAL H 1 62 LYS HA . . 5.500 4.973 4.889 5.223 . 0 0 "[ . 1 . 2]" 1
1070 1 61 VAL H 1 62 LYS HD2 . . 5.500 4.314 3.768 5.449 . 0 0 "[ . 1 . 2]" 1
1071 1 61 VAL H 1 62 LYS HD3 . . 5.500 5.078 4.242 5.554 0.054 13 0 "[ . 1 . 2]" 1
1072 1 61 VAL H 1 69 TRP HE3 . . 5.500 5.318 5.107 5.506 0.006 7 0 "[ . 1 . 2]" 1
1073 1 61 VAL H 1 71 LEU HA . . 5.500 5.114 5.000 5.236 . 0 0 "[ . 1 . 2]" 1
1074 1 61 VAL HA 1 61 VAL MG1 . . 2.950 2.243 2.144 2.321 . 0 0 "[ . 1 . 2]" 1
1075 1 61 VAL HA 1 62 LYS QB . . 5.340 4.496 4.107 4.584 . 0 0 "[ . 1 . 2]" 1
1076 1 61 VAL HA 1 70 THR MG . . 5.260 3.995 3.835 4.156 . 0 0 "[ . 1 . 2]" 1
1077 1 61 VAL HA 1 71 LEU HA . . 3.190 2.811 2.670 2.907 . 0 0 "[ . 1 . 2]" 1
1078 1 61 VAL HA 1 71 LEU HB2 . . 5.500 5.492 5.387 5.619 0.119 16 0 "[ . 1 . 2]" 1
1079 1 61 VAL HB 1 62 LYS H . . 4.130 3.991 3.575 4.148 0.018 10 0 "[ . 1 . 2]" 1
1080 1 61 VAL HB 1 69 TRP HE3 . . 4.890 2.897 2.450 3.110 . 0 0 "[ . 1 . 2]" 1
1081 1 61 VAL HB 1 70 THR H . . 5.500 5.440 5.074 5.549 0.049 20 0 "[ . 1 . 2]" 1
1082 1 61 VAL HB 1 71 LEU HA . . 5.500 5.248 5.057 5.422 . 0 0 "[ . 1 . 2]" 1
1083 1 61 VAL MG1 1 62 LYS H . . 3.080 2.471 1.943 2.657 . 0 0 "[ . 1 . 2]" 1
1084 1 61 VAL MG1 1 62 LYS HA . . 4.220 3.841 3.516 4.063 . 0 0 "[ . 1 . 2]" 1
1085 1 61 VAL MG1 1 69 TRP HA . . 4.080 3.718 3.575 3.806 . 0 0 "[ . 1 . 2]" 1
1086 1 61 VAL MG1 1 69 TRP HB3 . . 4.450 2.053 1.899 2.159 . 0 0 "[ . 1 . 2]" 1
1087 1 61 VAL MG1 1 69 TRP HE3 . . 3.440 1.951 1.888 2.343 . 0 0 "[ . 1 . 2]" 1
1088 1 61 VAL MG1 1 70 THR H . . 3.470 2.740 2.424 2.855 . 0 0 "[ . 1 . 2]" 1
1089 1 61 VAL MG2 1 71 LEU HB2 . . 5.500 4.651 4.506 4.802 . 0 0 "[ . 1 . 2]" 1
1090 1 61 VAL MG2 1 71 LEU MD1 . . 4.250 1.817 1.750 1.855 . 0 0 "[ . 1 . 2]" 1
1091 1 61 VAL MG2 1 71 LEU HG . . 4.500 3.698 3.600 3.861 . 0 0 "[ . 1 . 2]" 1
1092 1 62 LYS H 1 62 LYS HD2 . . 4.050 3.132 2.631 3.780 . 0 0 "[ . 1 . 2]" 1
1093 1 62 LYS H 1 62 LYS QD . . 3.450 2.630 1.920 3.026 . 0 0 "[ . 1 . 2]" 1
1094 1 62 LYS H 1 62 LYS HD3 . . 4.050 3.061 1.935 3.924 . 0 0 "[ . 1 . 2]" 1
1095 1 62 LYS H 1 69 TRP HA . . 4.830 4.440 4.239 4.679 . 0 0 "[ . 1 . 2]" 1
1096 1 62 LYS H 1 70 THR H . . 3.690 2.819 2.626 3.050 . 0 0 "[ . 1 . 2]" 1
1097 1 62 LYS H 1 70 THR MG . . 3.660 2.969 2.745 3.218 . 0 0 "[ . 1 . 2]" 1
1098 1 62 LYS HA 1 62 LYS HG2 . . 3.840 3.593 3.564 3.644 . 0 0 "[ . 1 . 2]" 1
1099 1 62 LYS HA 1 69 TRP HA . . 5.380 5.018 4.869 5.200 . 0 0 "[ . 1 . 2]" 1
1100 1 62 LYS HA 1 69 TRP HE3 . . 4.610 3.591 3.319 3.776 . 0 0 "[ . 1 . 2]" 1
1101 1 62 LYS QB 1 63 PRO QD . . 4.310 2.408 2.235 2.498 . 0 0 "[ . 1 . 2]" 1
1102 1 62 LYS QB 1 69 TRP HE3 . . 5.340 5.186 4.951 5.346 0.006 5 0 "[ . 1 . 2]" 1
1103 1 62 LYS HG2 1 63 PRO QD . . 5.210 4.386 3.621 4.510 . 0 0 "[ . 1 . 2]" 1
1104 1 62 LYS HG2 1 64 LEU MD2 . . 4.010 3.277 2.425 3.638 . 0 0 "[ . 1 . 2]" 1
1105 1 62 LYS HG2 1 69 TRP HA . . 5.410 5.160 4.883 5.410 . 0 0 "[ . 1 . 2]" 1
1106 1 63 PRO HA 1 64 LEU H . . 3.550 2.331 2.326 2.338 . 0 0 "[ . 1 . 2]" 1
1107 1 63 PRO HA 1 64 LEU HG . . 3.480 3.255 3.124 3.301 . 0 0 "[ . 1 . 2]" 1
1108 1 63 PRO HA 1 65 GLY H . . 4.880 4.587 4.195 4.690 . 0 0 "[ . 1 . 2]" 1
1109 1 63 PRO HA 1 68 SER H . . 5.000 4.584 4.460 4.877 . 0 0 "[ . 1 . 2]" 1
1110 1 63 PRO HA 1 69 TRP HA . . 3.200 2.055 1.991 2.138 . 0 0 "[ . 1 . 2]" 1
1111 1 63 PRO HA 1 69 TRP HB3 . . 4.950 3.917 3.753 4.028 . 0 0 "[ . 1 . 2]" 1
1112 1 63 PRO HA 1 69 TRP HD1 . . 4.400 4.151 3.854 4.281 . 0 0 "[ . 1 . 2]" 1
1113 1 63 PRO HA 1 69 TRP HE1 . . 5.010 4.886 4.539 5.036 0.026 1 0 "[ . 1 . 2]" 1
1114 1 63 PRO HA 1 69 TRP HE3 . . 4.610 4.507 4.281 4.624 0.014 9 0 "[ . 1 . 2]" 1
1115 1 63 PRO HA 1 70 THR H . . 4.280 3.772 3.610 3.908 . 0 0 "[ . 1 . 2]" 1
1116 1 63 PRO HA 1 70 THR MG . . 5.500 4.413 4.260 4.636 . 0 0 "[ . 1 . 2]" 1
1117 1 63 PRO HB2 1 64 LEU MD2 . . 5.500 4.818 4.784 4.856 . 0 0 "[ . 1 . 2]" 1
1118 1 63 PRO HB3 1 64 LEU MD2 . . 5.500 5.279 5.252 5.338 . 0 0 "[ . 1 . 2]" 1
1119 1 63 PRO HB3 1 69 TRP H . . 5.500 5.579 5.539 5.606 0.106 1 0 "[ . 1 . 2]" 1
1120 1 63 PRO HB3 1 69 TRP HA . . 4.430 3.993 3.894 4.112 . 0 0 "[ . 1 . 2]" 1
1121 1 63 PRO HB3 1 69 TRP HE1 . . 3.990 3.748 3.266 4.020 0.030 12 0 "[ . 1 . 2]" 1
1122 1 63 PRO HB3 1 69 TRP HE3 . . 5.500 4.806 4.496 5.022 . 0 0 "[ . 1 . 2]" 1
1123 1 63 PRO QD 1 69 TRP HA . . 5.350 4.535 4.458 4.594 . 0 0 "[ . 1 . 2]" 1
1124 1 63 PRO QD 1 69 TRP HE3 . . 4.910 3.499 3.270 3.688 . 0 0 "[ . 1 . 2]" 1
1125 1 64 LEU H 1 64 LEU HB2 . . 3.980 2.914 2.879 3.051 . 0 0 "[ . 1 . 2]" 1
1126 1 64 LEU H 1 64 LEU HG . . 4.140 2.433 2.312 2.513 . 0 0 "[ . 1 . 2]" 1
1127 1 64 LEU H 1 65 GLY H . . 3.220 2.319 1.959 2.407 . 0 0 "[ . 1 . 2]" 1
1128 1 64 LEU H 1 65 GLY HA2 . . 5.330 4.575 4.228 4.732 . 0 0 "[ . 1 . 2]" 1
1129 1 64 LEU H 1 65 GLY QA . . 4.670 4.151 3.919 4.237 . 0 0 "[ . 1 . 2]" 1
1130 1 64 LEU H 1 65 GLY HA3 . . 5.330 4.761 4.636 4.818 . 0 0 "[ . 1 . 2]" 1
1131 1 64 LEU H 1 68 SER H . . 4.170 3.417 3.278 3.701 . 0 0 "[ . 1 . 2]" 1
1132 1 64 LEU H 1 68 SER QB . . 4.120 3.395 3.136 3.705 . 0 0 "[ . 1 . 2]" 1
1133 1 64 LEU H 1 69 TRP HA . . 3.860 3.527 3.391 3.588 . 0 0 "[ . 1 . 2]" 1
1134 1 64 LEU H 1 70 THR H . . 5.200 5.219 5.052 5.277 0.077 13 0 "[ . 1 . 2]" 1
1135 1 64 LEU H 1 70 THR MG . . 5.500 5.012 4.840 5.141 . 0 0 "[ . 1 . 2]" 1
1136 1 64 LEU HA 1 64 LEU MD2 . . 3.670 2.423 2.383 2.559 . 0 0 "[ . 1 . 2]" 1
1137 1 64 LEU HA 1 65 GLY HA2 . . 5.500 4.556 4.536 4.748 . 0 0 "[ . 1 . 2]" 1
1138 1 64 LEU HA 1 65 GLY QA . . 4.810 4.248 4.225 4.267 . 0 0 "[ . 1 . 2]" 1
1139 1 64 LEU HA 1 65 GLY HA3 . . 5.500 5.086 4.736 5.187 . 0 0 "[ . 1 . 2]" 1
1140 1 64 LEU HA 1 69 TRP HA . . 5.500 5.637 5.546 5.698 0.198 15 0 "[ . 1 . 2]" 1
1141 1 64 LEU HB2 1 64 LEU MD1 . . 2.940 2.285 2.191 2.316 . 0 0 "[ . 1 . 2]" 1
1142 1 64 LEU HB2 1 65 GLY H . . 3.170 2.122 2.026 2.625 . 0 0 "[ . 1 . 2]" 1
1143 1 64 LEU HB2 1 68 SER QB . . 3.310 2.812 2.507 3.172 . 0 0 "[ . 1 . 2]" 1
1144 1 64 LEU HB2 1 69 TRP HA . . 5.500 5.332 5.262 5.395 . 0 0 "[ . 1 . 2]" 1
1145 1 64 LEU MD1 1 65 GLY H . . 4.160 3.815 3.747 3.932 . 0 0 "[ . 1 . 2]" 1
1146 1 64 LEU MD1 1 65 GLY QA . . 5.340 4.931 4.875 5.027 . 0 0 "[ . 1 . 2]" 1
1147 1 64 LEU MD1 1 68 SER HA . . 5.000 4.696 4.611 4.786 . 0 0 "[ . 1 . 2]" 1
1148 1 64 LEU MD1 1 68 SER QB . . 3.420 2.534 2.321 3.136 . 0 0 "[ . 1 . 2]" 1
1149 1 64 LEU MD1 1 70 THR HB . . 4.400 2.066 1.919 2.393 . 0 0 "[ . 1 . 2]" 1
1150 1 64 LEU MD2 1 70 THR H . . 4.610 3.380 3.212 3.502 . 0 0 "[ . 1 . 2]" 1
1151 1 64 LEU MD2 1 70 THR HB . . 4.600 2.622 2.336 3.005 . 0 0 "[ . 1 . 2]" 1
1152 1 64 LEU MD2 1 70 THR MG . . 2.970 1.814 1.748 1.904 . 0 0 "[ . 1 . 2]" 1
1153 1 64 LEU HG 1 65 GLY H . . 4.640 3.552 3.458 3.604 . 0 0 "[ . 1 . 2]" 1
1154 1 64 LEU HG 1 69 TRP HA . . 3.340 3.113 3.004 3.172 . 0 0 "[ . 1 . 2]" 1
1155 1 64 LEU HG 1 70 THR H . . 4.580 3.922 3.781 4.119 . 0 0 "[ . 1 . 2]" 1
1156 1 64 LEU HG 1 70 THR MG . . 3.540 3.389 3.277 3.480 . 0 0 "[ . 1 . 2]" 1
1157 1 65 GLY H 1 66 ASN H . . 3.450 3.550 3.502 3.966 0.516 19 1 "[ . 1 . +2]" 1
1158 1 65 GLY H 1 68 SER H . . 3.720 2.957 2.826 3.162 . 0 0 "[ . 1 . 2]" 1
1159 1 65 GLY H 1 68 SER HA . . 5.400 4.822 4.654 5.162 . 0 0 "[ . 1 . 2]" 1
1160 1 65 GLY H 1 68 SER QB . . 3.500 2.788 2.123 3.457 . 0 0 "[ . 1 . 2]" 1
1161 1 65 GLY QA 1 66 ASN HA . . 4.490 3.947 3.933 4.117 . 0 0 "[ . 1 . 2]" 1
1162 1 65 GLY QA 1 67 ASN H . . 4.670 4.534 4.172 4.748 0.078 7 0 "[ . 1 . 2]" 1
1163 1 65 GLY HA2 1 66 ASN HA . . 5.350 4.485 4.371 4.516 . 0 0 "[ . 1 . 2]" 1
1164 1 65 GLY HA3 1 66 ASN HA . . 5.350 4.392 4.353 5.028 . 0 0 "[ . 1 . 2]" 1
1165 1 66 ASN H 1 66 ASN HB2 . . 4.120 2.338 2.080 3.213 . 0 0 "[ . 1 . 2]" 1
1166 1 66 ASN H 1 66 ASN QB . . 3.330 2.198 2.055 3.002 . 0 0 "[ . 1 . 2]" 1
1167 1 66 ASN H 1 66 ASN HB3 . . 4.120 2.917 2.492 3.601 . 0 0 "[ . 1 . 2]" 1
1168 1 66 ASN H 1 68 SER H . . 4.980 3.802 3.581 3.995 . 0 0 "[ . 1 . 2]" 1
1169 1 66 ASN HA 1 66 ASN HD21 . . 4.220 3.035 1.913 4.234 0.014 7 0 "[ . 1 . 2]" 1
1170 1 66 ASN HA 1 68 SER H . . 4.570 4.204 3.943 4.721 0.151 1 0 "[ . 1 . 2]" 1
1171 1 66 ASN QB 1 66 ASN HD21 . . 3.100 2.382 2.107 2.673 . 0 0 "[ . 1 . 2]" 1
1172 1 66 ASN QB 1 67 ASN H . . 3.880 3.419 1.844 4.038 0.158 19 0 "[ . 1 . 2]" 1
1173 1 66 ASN QB 1 68 SER H . . 4.400 4.130 3.695 4.337 . 0 0 "[ . 1 . 2]" 1
1174 1 66 ASN QB 1 68 SER HA . . 5.340 5.495 5.251 5.759 0.419 20 0 "[ . 1 . 2]" 1
1175 1 66 ASN HD21 1 67 ASN H . . 4.280 3.345 2.039 4.193 . 0 0 "[ . 1 . 2]" 1
1176 1 66 ASN HD21 1 67 ASN QB . . 3.810 3.088 2.181 3.856 0.046 19 0 "[ . 1 . 2]" 1
1177 1 66 ASN HD22 1 67 ASN QB . . 5.340 3.932 2.485 5.220 . 0 0 "[ . 1 . 2]" 1
1178 1 67 ASN H 1 67 ASN HB2 . . 3.950 3.082 2.669 3.976 0.026 16 0 "[ . 1 . 2]" 1
1179 1 67 ASN H 1 67 ASN QB . . 3.250 2.773 2.539 2.919 . 0 0 "[ . 1 . 2]" 1
1180 1 67 ASN H 1 67 ASN HB3 . . 3.950 3.491 2.799 3.911 . 0 0 "[ . 1 . 2]" 1
1181 1 67 ASN H 1 67 ASN QD . . 4.610 4.456 3.790 4.790 0.180 1 0 "[ . 1 . 2]" 1
1182 1 67 ASN H 1 68 SER H . . 3.000 2.755 2.362 2.953 . 0 0 "[ . 1 . 2]" 1
1183 1 67 ASN H 1 68 SER HA . . 5.490 5.157 4.393 5.439 . 0 0 "[ . 1 . 2]" 1
1184 1 67 ASN H 1 69 TRP HE1 . . 5.500 5.354 4.995 5.710 0.210 1 0 "[ . 1 . 2]" 1
1185 1 67 ASN HA 1 67 ASN HD21 . . 4.900 3.091 2.215 4.437 . 0 0 "[ . 1 . 2]" 1
1186 1 67 ASN HA 1 67 ASN HD22 . . 4.900 3.938 3.316 5.242 0.342 3 0 "[ . 1 . 2]" 1
1187 1 67 ASN HA 1 68 SER H . . 3.260 2.900 2.819 2.949 . 0 0 "[ . 1 . 2]" 1
1188 1 67 ASN HA 1 68 SER HA . . 4.640 4.567 4.523 4.598 . 0 0 "[ . 1 . 2]" 1
1189 1 67 ASN HA 1 69 TRP HE1 . . 4.070 2.972 2.761 3.224 . 0 0 "[ . 1 . 2]" 1
1190 1 67 ASN QB 1 67 ASN QD . . 2.860 2.371 2.067 2.559 . 0 0 "[ . 1 . 2]" 1
1191 1 67 ASN QB 1 68 SER H . . 4.070 3.838 3.762 4.044 . 0 0 "[ . 1 . 2]" 1
1192 1 67 ASN QB 1 68 SER HA . . 5.340 4.305 4.198 4.656 . 0 0 "[ . 1 . 2]" 1
1193 1 67 ASN QB 1 69 TRP HE1 . . 4.780 3.965 3.136 4.266 . 0 0 "[ . 1 . 2]" 1
1194 1 67 ASN HB2 1 68 SER H . . 4.650 4.410 4.342 4.546 . 0 0 "[ . 1 . 2]" 1
1195 1 67 ASN HB3 1 68 SER H . . 4.650 4.233 4.067 4.646 . 0 0 "[ . 1 . 2]" 1
1196 1 68 SER H 1 68 SER QB . . 3.490 2.867 2.343 3.007 . 0 0 "[ . 1 . 2]" 1
1197 1 68 SER H 1 69 TRP HA . . 5.340 5.083 5.010 5.170 . 0 0 "[ . 1 . 2]" 1
1198 1 68 SER HA 1 68 SER QB . . 2.520 2.203 2.157 2.388 . 0 0 "[ . 1 . 2]" 1
1199 1 68 SER HA 1 69 TRP H . . 3.130 2.140 2.137 2.144 . 0 0 "[ . 1 . 2]" 1
1200 1 68 SER HA 1 69 TRP HA . . 4.900 4.394 4.388 4.398 . 0 0 "[ . 1 . 2]" 1
1201 1 68 SER HA 1 69 TRP HD1 . . 4.530 3.028 2.821 3.147 . 0 0 "[ . 1 . 2]" 1
1202 1 68 SER HA 1 69 TRP HE1 . . 5.490 5.169 4.887 5.335 . 0 0 "[ . 1 . 2]" 1
1203 1 68 SER QB 1 69 TRP H . . 4.170 3.480 3.350 3.883 . 0 0 "[ . 1 . 2]" 1
1204 1 68 SER QB 1 69 TRP HA . . 4.540 4.341 4.226 4.654 0.114 19 0 "[ . 1 . 2]" 1
1205 1 68 SER HB2 1 69 TRP H . . 4.830 3.900 3.604 4.397 . 0 0 "[ . 1 . 2]" 1
1206 1 68 SER HB3 1 69 TRP H . . 4.830 3.941 3.622 4.345 . 0 0 "[ . 1 . 2]" 1
1207 1 69 TRP H 1 69 TRP HD1 . . 4.230 2.299 2.180 2.467 . 0 0 "[ . 1 . 2]" 1
1208 1 69 TRP H 1 69 TRP HE1 . . 5.500 4.850 4.717 5.033 . 0 0 "[ . 1 . 2]" 1
1209 1 69 TRP H 1 70 THR H . . 4.650 4.533 4.507 4.548 . 0 0 "[ . 1 . 2]" 1
1210 1 69 TRP HA 1 69 TRP HD1 . . 4.070 3.578 3.442 3.655 . 0 0 "[ . 1 . 2]" 1
1211 1 69 TRP HA 1 69 TRP HE1 . . 5.500 5.225 5.137 5.279 . 0 0 "[ . 1 . 2]" 1
1212 1 69 TRP HA 1 69 TRP HE3 . . 4.270 4.077 4.017 4.192 . 0 0 "[ . 1 . 2]" 1
1213 1 69 TRP HA 1 70 THR H . . 3.060 2.300 2.267 2.348 . 0 0 "[ . 1 . 2]" 1
1214 1 69 TRP HA 1 70 THR HA . . 4.510 4.445 4.432 4.459 . 0 0 "[ . 1 . 2]" 1
1215 1 69 TRP HA 1 70 THR MG . . 4.230 3.740 3.637 3.788 . 0 0 "[ . 1 . 2]" 1
1216 1 69 TRP HB2 1 70 THR H . . 4.030 3.802 3.666 3.911 . 0 0 "[ . 1 . 2]" 1
1217 1 69 TRP HB3 1 69 TRP HE3 . . 4.120 2.400 2.398 2.404 . 0 0 "[ . 1 . 2]" 1
1218 1 69 TRP HB3 1 70 THR H . . 3.830 2.700 2.580 2.790 . 0 0 "[ . 1 . 2]" 1
1219 1 69 TRP HB3 1 70 THR HA . . 5.480 4.469 4.431 4.544 . 0 0 "[ . 1 . 2]" 1
1220 1 69 TRP HB3 1 70 THR HB . . 5.500 5.532 5.469 5.579 0.079 3 0 "[ . 1 . 2]" 1
1221 1 69 TRP HE3 1 70 THR H . . 4.370 4.233 4.139 4.364 . 0 0 "[ . 1 . 2]" 1
1222 1 70 THR H 1 70 THR MG . . 3.430 2.303 2.254 2.330 . 0 0 "[ . 1 . 2]" 1
1223 1 70 THR H 1 71 LEU H . . 4.570 4.422 4.408 4.447 . 0 0 "[ . 1 . 2]" 1
1224 1 70 THR HA 1 70 THR HB . . 2.990 2.489 2.460 2.504 . 0 0 "[ . 1 . 2]" 1
1225 1 70 THR HA 1 70 THR MG . . 3.750 3.204 3.203 3.207 . 0 0 "[ . 1 . 2]" 1
1226 1 70 THR HA 1 71 LEU H . . 3.030 2.286 2.218 2.338 . 0 0 "[ . 1 . 2]" 1
1227 1 70 THR HA 1 71 LEU HB2 . . 4.630 4.166 4.122 4.228 . 0 0 "[ . 1 . 2]" 1
1228 1 70 THR HA 1 71 LEU MD2 . . 4.120 3.513 3.305 3.701 . 0 0 "[ . 1 . 2]" 1
1229 1 70 THR HB 1 71 LEU H . . 4.530 3.977 3.888 4.083 . 0 0 "[ . 1 . 2]" 1
1230 1 70 THR MG 1 71 LEU H . . 5.500 3.526 3.426 3.688 . 0 0 "[ . 1 . 2]" 1
1231 1 70 THR MG 1 71 LEU HA . . 5.340 3.870 3.799 3.916 . 0 0 "[ . 1 . 2]" 1
1232 1 71 LEU H 1 71 LEU MD2 . . 3.410 2.962 2.771 3.090 . 0 0 "[ . 1 . 2]" 1
1233 1 71 LEU H 1 72 GLU H . . 4.670 4.481 4.365 4.544 . 0 0 "[ . 1 . 2]" 1
1234 1 71 LEU HA 1 71 LEU MD1 . . 3.690 1.989 1.921 2.098 . 0 0 "[ . 1 . 2]" 1
1235 1 71 LEU HA 1 72 GLU H . . 3.250 2.195 2.143 2.275 . 0 0 "[ . 1 . 2]" 1
1236 1 71 LEU HB2 1 72 GLU H . . 4.500 4.329 4.158 4.466 . 0 0 "[ . 1 . 2]" 1
1237 1 71 LEU HB3 1 72 GLU H . . 3.500 3.249 2.924 3.522 0.022 6 0 "[ . 1 . 2]" 1
1238 1 71 LEU MD1 1 72 GLU H . . 5.240 2.567 2.302 2.919 . 0 0 "[ . 1 . 2]" 1
1239 1 73 PRO HA 1 74 ALA H . . 3.210 2.153 2.151 2.167 . 0 0 "[ . 1 . 2]" 1
1240 1 73 PRO HA 1 74 ALA MB . . 4.240 3.950 3.887 3.972 . 0 0 "[ . 1 . 2]" 1
1241 1 73 PRO QB 1 74 ALA H . . 3.510 3.382 3.221 3.427 . 0 0 "[ . 1 . 2]" 1
1242 1 73 PRO QB 1 74 ALA MB . . 5.340 4.716 4.629 4.761 . 0 0 "[ . 1 . 2]" 1
1243 1 73 PRO HB2 1 74 ALA H . . 4.230 3.620 3.422 3.675 . 0 0 "[ . 1 . 2]" 1
1244 1 73 PRO HB3 1 74 ALA H . . 4.230 4.060 3.927 4.097 . 0 0 "[ . 1 . 2]" 1
1245 1 74 ALA H 1 74 ALA MB . . 3.130 2.265 2.104 2.447 . 0 0 "[ . 1 . 2]" 1
1246 1 74 ALA H 1 75 PRO HA . . 5.500 5.462 5.270 5.664 0.164 7 0 "[ . 1 . 2]" 1
1247 1 74 ALA H 1 75 PRO HD2 . . 5.270 4.777 4.760 4.824 . 0 0 "[ . 1 . 2]" 1
1248 1 74 ALA H 1 75 PRO QD . . 4.500 4.367 4.345 4.375 . 0 0 "[ . 1 . 2]" 1
1249 1 74 ALA H 1 75 PRO HD3 . . 5.270 5.056 4.936 5.091 . 0 0 "[ . 1 . 2]" 1
1250 1 74 ALA HA 1 75 PRO HD2 . . 3.640 2.457 2.201 2.509 . 0 0 "[ . 1 . 2]" 1
1251 1 74 ALA HA 1 75 PRO QD . . 3.130 2.125 1.983 2.155 . 0 0 "[ . 1 . 2]" 1
1252 1 74 ALA HA 1 75 PRO HD3 . . 3.640 2.329 2.254 2.347 . 0 0 "[ . 1 . 2]" 1
1253 1 74 ALA HA 1 75 PRO QG . . 5.110 4.040 3.884 4.072 . 0 0 "[ . 1 . 2]" 1
1254 1 74 ALA MB 1 75 PRO HD2 . . 3.520 2.078 1.948 2.365 . 0 0 "[ . 1 . 2]" 1
1255 1 74 ALA MB 1 75 PRO QD . . 2.790 2.053 1.929 2.330 . 0 0 "[ . 1 . 2]" 1
1256 1 74 ALA MB 1 75 PRO HD3 . . 3.520 3.192 3.089 3.511 . 0 0 "[ . 1 . 2]" 1
1257 1 74 ALA MB 1 75 PRO QG . . 3.910 3.527 3.389 3.831 . 0 0 "[ . 1 . 2]" 1
1258 1 75 PRO HA 1 76 ALA H . . 2.900 2.308 2.152 2.390 . 0 0 "[ . 1 . 2]" 1
1259 1 75 PRO QB 1 76 ALA H . . 3.350 2.791 2.564 3.350 . 0 0 "[ . 1 . 2]" 1
1260 1 75 PRO QB 1 76 ALA HA . . 5.190 4.487 3.933 4.791 . 0 0 "[ . 1 . 2]" 1
1261 1 76 ALA HA 1 77 PRO HB3 . . 4.990 4.868 4.866 4.870 . 0 0 "[ . 1 . 2]" 1
1262 1 76 ALA HA 1 77 PRO HD2 . . 3.110 2.504 2.499 2.514 . 0 0 "[ . 1 . 2]" 1
1263 1 76 ALA HA 1 77 PRO HD3 . . 3.110 2.345 2.342 2.349 . 0 0 "[ . 1 . 2]" 1
1264 1 76 ALA HA 1 77 PRO HG2 . . 5.500 4.598 4.594 4.606 . 0 0 "[ . 1 . 2]" 1
1265 1 76 ALA HA 1 77 PRO HG3 . . 5.500 4.537 4.534 4.544 . 0 0 "[ . 1 . 2]" 1
1266 1 76 ALA MB 1 77 PRO HA . . 4.440 4.354 4.349 4.362 . 0 0 "[ . 1 . 2]" 1
1267 1 76 ALA MB 1 77 PRO HB2 . . 5.090 4.938 4.912 4.970 . 0 0 "[ . 1 . 2]" 1
1268 1 76 ALA MB 1 77 PRO HD2 . . 3.200 2.065 1.977 2.099 . 0 0 "[ . 1 . 2]" 1
1269 1 76 ALA MB 1 77 PRO QD . . 2.720 2.039 1.958 2.071 . 0 0 "[ . 1 . 2]" 1
1270 1 76 ALA MB 1 77 PRO HD3 . . 3.200 3.162 3.145 3.172 . 0 0 "[ . 1 . 2]" 1
1271 1 76 ALA MB 1 77 PRO HG2 . . 3.680 3.616 3.547 3.676 . 0 0 "[ . 1 . 2]" 1
1272 1 77 PRO HA 1 78 LYS H . . 2.770 2.390 2.360 2.396 . 0 0 "[ . 1 . 2]" 1
1273 1 77 PRO HA 1 79 GLU H . . 5.500 4.546 3.495 5.461 . 0 0 "[ . 1 . 2]" 1
1274 1 77 PRO HB2 1 78 LYS H . . 3.800 2.638 2.622 2.717 . 0 0 "[ . 1 . 2]" 1
1275 1 77 PRO HB3 1 78 LYS H . . 3.730 3.465 3.456 3.506 . 0 0 "[ . 1 . 2]" 1
1276 1 77 PRO HD2 1 78 LYS H . . 5.500 5.584 5.580 5.602 0.102 2 0 "[ . 1 . 2]" 1
1277 1 77 PRO HD3 1 78 LYS H . . 5.500 5.540 5.537 5.554 0.054 2 0 "[ . 1 . 2]" 1
1278 1 77 PRO HG2 1 78 LYS H . . 4.620 4.442 4.430 4.498 . 0 0 "[ . 1 . 2]" 1
1279 1 78 LYS H 1 78 LYS QB . . 3.070 2.612 2.187 3.081 0.011 17 0 "[ . 1 . 2]" 1
1280 1 78 LYS H 1 78 LYS HD2 . . 5.500 4.377 2.310 5.503 0.003 4 0 "[ . 1 . 2]" 1
1281 1 78 LYS H 1 78 LYS HD3 . . 5.500 4.253 1.986 5.553 0.053 2 0 "[ . 1 . 2]" 1
1282 1 78 LYS H 1 78 LYS HG2 . . 5.430 3.646 2.034 4.735 . 0 0 "[ . 1 . 2]" 1
1283 1 78 LYS H 1 78 LYS QG . . 4.640 3.048 1.944 4.077 . 0 0 "[ . 1 . 2]" 1
1284 1 78 LYS H 1 78 LYS HG3 . . 5.430 3.588 1.956 4.929 . 0 0 "[ . 1 . 2]" 1
1285 1 78 LYS HA 1 78 LYS QG . . 3.560 2.978 2.205 3.419 . 0 0 "[ . 1 . 2]" 1
1286 1 78 LYS HA 1 79 GLU H . . 3.230 2.843 2.171 3.568 0.338 4 0 "[ . 1 . 2]" 1
1287 1 78 LYS QE 1 79 GLU QB . . 4.570 4.292 3.398 4.603 0.033 2 0 "[ . 1 . 2]" 1
1288 1 78 LYS QG 1 79 GLU H . . 4.590 3.738 2.965 4.401 . 0 0 "[ . 1 . 2]" 1
1289 1 78 LYS HG2 1 79 GLU H . . 5.400 4.593 3.006 5.452 0.052 16 0 "[ . 1 . 2]" 1
1290 1 78 LYS HG3 1 79 GLU H . . 5.400 4.305 3.495 5.476 0.076 2 0 "[ . 1 . 2]" 1
1291 1 79 GLU H 1 79 GLU HB2 . . 3.850 2.901 2.264 3.649 . 0 0 "[ . 1 . 2]" 1
1292 1 79 GLU H 1 79 GLU QB . . 3.170 2.596 2.181 2.964 . 0 0 "[ . 1 . 2]" 1
1293 1 79 GLU H 1 79 GLU HB3 . . 3.850 3.088 2.518 3.829 . 0 0 "[ . 1 . 2]" 1
1294 1 79 GLU H 1 79 GLU HG2 . . 5.440 4.557 2.133 5.262 . 0 0 "[ . 1 . 2]" 1
1295 1 79 GLU H 1 79 GLU QG . . 4.670 3.898 2.115 4.495 . 0 0 "[ . 1 . 2]" 1
1296 1 79 GLU H 1 79 GLU HG3 . . 5.440 4.323 2.396 5.282 . 0 0 "[ . 1 . 2]" 1
1297 1 79 GLU HA 1 79 GLU HG2 . . 4.080 3.195 2.401 3.827 . 0 0 "[ . 1 . 2]" 1
1298 1 79 GLU HA 1 79 GLU QG . . 3.540 2.500 2.193 3.340 . 0 0 "[ . 1 . 2]" 1
1299 1 79 GLU HA 1 79 GLU HG3 . . 4.080 2.738 2.251 3.813 . 0 0 "[ . 1 . 2]" 1
1300 1 79 GLU HA 1 80 ASP H . . 2.760 2.328 2.138 2.706 . 0 0 "[ . 1 . 2]" 1
1301 1 79 GLU HA 1 80 ASP QB . . 5.340 4.378 3.877 4.738 . 0 0 "[ . 1 . 2]" 1
1302 1 79 GLU QB 1 80 ASP H . . 4.240 3.533 2.520 4.042 . 0 0 "[ . 1 . 2]" 1
1303 1 79 GLU QG 1 80 ASP H . . 4.770 3.055 1.915 4.522 . 0 0 "[ . 1 . 2]" 1
1304 1 79 GLU HG2 1 80 ASP H . . 5.500 3.810 1.961 5.409 . 0 0 "[ . 1 . 2]" 1
1305 1 79 GLU HG3 1 80 ASP H . . 5.500 3.513 2.021 5.262 . 0 0 "[ . 1 . 2]" 1
1306 1 80 ASP H 1 80 ASP QB . . 3.570 2.835 2.388 3.391 . 0 0 "[ . 1 . 2]" 1
1307 1 80 ASP H 1 81 ALA HA . . 5.500 5.046 4.401 5.494 . 0 0 "[ . 1 . 2]" 1
1308 1 80 ASP H 1 81 ALA MB . . 5.460 4.970 4.171 5.473 0.013 14 0 "[ . 1 . 2]" 1
1309 1 80 ASP HB2 1 81 ALA H . . 5.500 3.638 2.082 4.484 . 0 0 "[ . 1 . 2]" 1
1310 1 80 ASP HB3 1 81 ALA H . . 5.500 3.601 2.009 4.486 . 0 0 "[ . 1 . 2]" 1
1311 1 82 LEU HA 1 82 LEU HG . . 3.990 2.984 2.198 3.696 . 0 0 "[ . 1 . 2]" 1
1312 1 82 LEU HA 1 83 THR H . . 2.610 2.316 2.139 2.612 0.002 3 0 "[ . 1 . 2]" 1
1313 1 82 LEU QB 1 83 THR H . . 4.060 3.552 2.124 4.004 . 0 0 "[ . 1 . 2]" 1
1314 1 83 THR H 1 83 THR HB . . 3.210 2.949 2.554 3.416 0.206 13 0 "[ . 1 . 2]" 1
1315 1 83 THR H 1 83 THR MG . . 3.210 2.222 2.019 3.082 . 0 0 "[ . 1 . 2]" 1
1316 1 83 THR HA 1 83 THR MG . . 3.630 3.143 2.153 3.203 . 0 0 "[ . 1 . 2]" 1
1317 1 83 THR HA 1 84 VAL H . . 2.950 2.396 2.245 2.594 . 0 0 "[ . 1 . 2]" 1
1318 1 83 THR HA 1 84 VAL MG2 . . 4.120 3.591 3.328 4.017 . 0 0 "[ . 1 . 2]" 1
1319 1 83 THR MG 1 84 VAL H . . 4.100 3.509 2.635 3.967 . 0 0 "[ . 1 . 2]" 1
1320 1 84 VAL H 1 84 VAL HB . . 3.850 3.180 2.531 3.826 . 0 0 "[ . 1 . 2]" 1
1321 1 84 VAL H 1 84 VAL MG2 . . 3.620 2.340 1.884 3.019 . 0 0 "[ . 1 . 2]" 1
1322 1 85 VAL H 1 85 VAL MG2 . . 3.230 2.231 1.962 2.959 . 0 0 "[ . 1 . 2]" 1
1323 1 85 VAL HA 1 86 GLY H . . 3.440 2.574 2.144 3.453 0.013 7 0 "[ . 1 . 2]" 1
1324 1 85 VAL HB 1 86 GLY H . . 4.350 3.327 1.950 4.370 0.020 8 0 "[ . 1 . 2]" 1
1325 1 85 VAL MG1 1 86 GLY H . . 4.900 3.324 2.116 4.346 . 0 0 "[ . 1 . 2]" 1
1326 1 85 VAL MG2 1 86 GLY H . . 5.440 3.704 2.124 4.367 . 0 0 "[ . 1 . 2]" 1
1327 1 86 GLY QA 1 87 ASP HA . . 4.730 3.953 3.931 4.016 . 0 0 "[ . 1 . 2]" 1
1328 1 86 GLY HA2 1 87 ASP HA . . 5.500 4.479 4.314 4.764 . 0 0 "[ . 1 . 2]" 1
1329 1 86 GLY HA3 1 87 ASP HA . . 5.500 4.410 4.309 4.580 . 0 0 "[ . 1 . 2]" 1
1330 1 87 ASP H 1 87 ASP HB2 . . 4.190 3.038 2.249 4.069 . 0 0 "[ . 1 . 2]" 1
1331 1 87 ASP H 1 87 ASP QB . . 3.600 2.683 2.209 3.295 . 0 0 "[ . 1 . 2]" 1
1332 1 87 ASP H 1 87 ASP HB3 . . 4.190 3.304 2.692 3.962 . 0 0 "[ . 1 . 2]" 1
1333 1 87 ASP HA 1 88 TRP H . . 3.480 2.460 2.150 3.509 0.029 8 0 "[ . 1 . 2]" 1
1334 1 87 ASP QB 1 88 TRP H . . 4.210 2.892 1.956 3.921 . 0 0 "[ . 1 . 2]" 1
1335 1 87 ASP HB2 1 88 TRP H . . 5.000 3.510 2.404 4.544 . 0 0 "[ . 1 . 2]" 1
1336 1 87 ASP HB3 1 88 TRP H . . 5.000 3.406 1.972 4.435 . 0 0 "[ . 1 . 2]" 1
1337 1 88 TRP H 1 88 TRP HB2 . . 3.690 2.986 2.477 3.736 0.046 15 0 "[ . 1 . 2]" 1
1338 1 88 TRP H 1 88 TRP QB . . 3.130 2.709 2.264 3.375 0.245 15 0 "[ . 1 . 2]" 1
1339 1 88 TRP H 1 88 TRP HB3 . . 3.690 3.230 2.621 3.845 0.155 15 0 "[ . 1 . 2]" 1
1340 1 88 TRP H 1 88 TRP HD1 . . 5.500 4.620 3.076 5.608 0.108 8 0 "[ . 1 . 2]" 1
1341 1 88 TRP H 1 88 TRP HE3 . . 5.500 4.598 3.861 5.029 . 0 0 "[ . 1 . 2]" 1
1342 1 88 TRP HA 1 88 TRP QB . . 2.500 2.350 2.240 2.472 . 0 0 "[ . 1 . 2]" 1
1343 1 88 TRP HA 1 88 TRP HD1 . . 4.760 4.500 4.093 4.780 0.020 2 0 "[ . 1 . 2]" 1
1344 1 88 TRP HA 1 88 TRP HE3 . . 3.760 2.574 2.042 2.998 . 0 0 "[ . 1 . 2]" 1
1345 1 88 TRP HA 1 88 TRP HZ3 . . 5.050 4.778 4.311 5.095 0.045 3 0 "[ . 1 . 2]" 1
1346 1 88 TRP HA 1 89 LEU H . . 2.850 2.512 2.148 2.850 0.000 4 0 "[ . 1 . 2]" 1
1347 1 88 TRP QB 1 88 TRP HD1 . . 3.390 2.522 2.495 2.571 . 0 0 "[ . 1 . 2]" 1
1348 1 88 TRP QB 1 88 TRP HE3 . . 3.350 2.794 2.629 3.004 . 0 0 "[ . 1 . 2]" 1
1349 1 88 TRP QB 1 88 TRP HZ3 . . 5.150 4.968 4.848 5.119 . 0 0 "[ . 1 . 2]" 1
1350 1 88 TRP QB 1 89 LEU H . . 4.250 3.087 2.052 3.991 . 0 0 "[ . 1 . 2]" 1
1351 1 88 TRP HB2 1 89 LEU H . . 5.020 3.704 2.605 4.568 . 0 0 "[ . 1 . 2]" 1
1352 1 88 TRP HB3 1 89 LEU H . . 5.020 3.342 2.136 4.543 . 0 0 "[ . 1 . 2]" 1
1353 1 88 TRP HD1 1 90 GLY HA2 . . 5.500 4.978 2.644 5.536 0.036 2 0 "[ . 1 . 2]" 1
1354 1 88 TRP HD1 1 90 GLY HA3 . . 5.500 4.884 3.035 5.529 0.029 10 0 "[ . 1 . 2]" 1
1355 1 89 LEU H 1 89 LEU QB . . 3.450 2.497 2.144 3.122 . 0 0 "[ . 1 . 2]" 1
1356 1 89 LEU H 1 90 GLY H . . 4.300 3.204 2.175 4.355 0.055 9 0 "[ . 1 . 2]" 1
1357 1 89 LEU HA 1 89 LEU MD1 . . 4.590 2.609 1.973 4.037 . 0 0 "[ . 1 . 2]" 1
1358 1 89 LEU HA 1 89 LEU HG . . 3.770 3.352 2.277 3.701 . 0 0 "[ . 1 . 2]" 1
1359 1 89 LEU HB2 1 90 GLY H . . 5.250 3.797 2.320 4.635 . 0 0 "[ . 1 . 2]" 1
1360 1 89 LEU HB3 1 90 GLY H . . 5.250 3.551 1.942 4.550 . 0 0 "[ . 1 . 2]" 1
1361 1 89 LEU MD1 1 90 GLY H . . 5.500 3.877 2.168 5.082 . 0 0 "[ . 1 . 2]" 1
1362 1 89 LEU MD2 1 90 GLY H . . 5.500 4.253 3.444 5.074 . 0 0 "[ . 1 . 2]" 1
1363 1 90 GLY H 1 91 ASP HA . . 5.500 5.187 4.518 5.534 0.034 2 0 "[ . 1 . 2]" 1
1364 1 90 GLY QA 1 91 ASP H . . 3.040 2.280 2.112 2.828 . 0 0 "[ . 1 . 2]" 1
1365 1 91 ASP H 1 92 ALA MB . . 4.330 4.124 3.532 4.334 0.004 2 0 "[ . 1 . 2]" 1
1366 1 91 ASP HA 1 92 ALA H . . 3.050 2.494 2.145 2.920 . 0 0 "[ . 1 . 2]" 1
1367 1 91 ASP QB 1 92 ALA H . . 4.450 3.861 3.224 4.047 . 0 0 "[ . 1 . 2]" 1
1368 1 91 ASP HB2 1 92 ALA H . . 5.190 4.322 3.368 4.655 . 0 0 "[ . 1 . 2]" 1
1369 1 91 ASP HB3 1 92 ALA H . . 5.190 4.389 3.815 4.662 . 0 0 "[ . 1 . 2]" 1
1370 1 92 ALA H 1 92 ALA MB . . 2.590 2.412 2.073 2.592 0.002 16 0 "[ . 1 . 2]" 1
1371 1 92 ALA HA 1 93 ARG H . . 3.310 2.314 2.142 2.636 . 0 0 "[ . 1 . 2]" 1
1372 1 92 ALA MB 1 93 ARG H . . 5.500 2.910 2.099 3.720 . 0 0 "[ . 1 . 2]" 1
1373 1 93 ARG H 1 93 ARG QB . . 3.260 2.848 2.335 3.221 . 0 0 "[ . 1 . 2]" 1
1374 1 93 ARG H 1 93 ARG HG2 . . 4.120 3.184 2.035 4.137 0.017 16 0 "[ . 1 . 2]" 1
1375 1 93 ARG H 1 93 ARG QG . . 3.450 2.609 2.011 3.448 . 0 0 "[ . 1 . 2]" 1
1376 1 93 ARG H 1 93 ARG HG3 . . 4.120 3.001 2.186 3.982 . 0 0 "[ . 1 . 2]" 1
1377 1 93 ARG HA 1 93 ARG HD2 . . 5.500 4.656 3.202 5.498 . 0 0 "[ . 1 . 2]" 1
1378 1 93 ARG HA 1 93 ARG QD . . 4.840 4.037 3.070 4.603 . 0 0 "[ . 1 . 2]" 1
1379 1 93 ARG HA 1 93 ARG HD3 . . 5.500 4.541 3.316 5.026 . 0 0 "[ . 1 . 2]" 1
1380 1 93 ARG HA 1 93 ARG QG . . 3.720 2.801 2.232 3.343 . 0 0 "[ . 1 . 2]" 1
1381 1 93 ARG HA 1 94 GLU H . . 3.200 2.415 2.145 3.125 . 0 0 "[ . 1 . 2]" 1
1382 1 94 GLU H 1 94 GLU HG2 . . 5.500 4.017 2.168 5.061 . 0 0 "[ . 1 . 2]" 1
1383 1 94 GLU H 1 94 GLU HG3 . . 5.500 3.987 2.319 4.908 . 0 0 "[ . 1 . 2]" 1
1384 1 95 ASN H 1 95 ASN HB2 . . 3.820 3.101 2.209 3.806 . 0 0 "[ . 1 . 2]" 1
1385 1 95 ASN H 1 95 ASN QB . . 3.340 2.723 2.145 3.393 0.053 16 0 "[ . 1 . 2]" 1
1386 1 95 ASN H 1 95 ASN HB3 . . 3.820 3.229 2.532 3.879 0.059 16 0 "[ . 1 . 2]" 1
1387 1 95 ASN H 1 95 ASN QD . . 5.340 4.107 2.632 5.275 . 0 0 "[ . 1 . 2]" 1
1388 1 98 GLU H 1 98 GLU QB . . 3.650 2.601 2.243 3.203 . 0 0 "[ . 1 . 2]" 1
1389 1 98 GLU H 1 98 GLU HG2 . . 5.500 4.342 2.640 5.182 . 0 0 "[ . 1 . 2]" 1
1390 1 98 GLU H 1 98 GLU HG3 . . 5.500 4.011 2.374 4.788 . 0 0 "[ . 1 . 2]" 1
1391 1 98 GLU HA 1 98 GLU QG . . 3.740 2.637 2.202 3.462 . 0 0 "[ . 1 . 2]" 1
1392 1 99 HIS HA 1 99 HIS QB . . 2.530 2.348 2.181 2.492 . 0 0 "[ . 1 . 2]" 1
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