NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403054 |
1wih   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wih
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 1199
_Distance_constraint_stats_list.Viol_count 1612
_Distance_constraint_stats_list.Viol_total 2008.276
_Distance_constraint_stats_list.Viol_max 0.992
_Distance_constraint_stats_list.Viol_rms 0.0347
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0623
_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 6 SER 1.224 0.726 8 1 "[ . + 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.899 0.100 12 0 "[ . 1 . 2]"
1 9 ASP 9.006 0.938 12 5 "[ . ** 1*+ . - 2]"
1 10 HIS 0.012 0.007 6 0 "[ . 1 . 2]"
1 11 ILE 2.618 0.157 9 0 "[ . 1 . 2]"
1 12 THR 3.291 0.641 6 4 "[ * .+- * . 2]"
1 13 VAL 0.615 0.054 13 0 "[ . 1 . 2]"
1 14 VAL 0.330 0.241 6 0 "[ . 1 . 2]"
1 15 THR 0.129 0.035 4 0 "[ . 1 . 2]"
1 16 ALA 1.044 0.829 7 1 "[ . + 1 . 2]"
1 17 ASP 0.829 0.829 7 1 "[ . + 1 . 2]"
1 18 GLY 0.220 0.040 2 0 "[ . 1 . 2]"
1 19 LYS 4.419 0.641 6 4 "[ * .+- * . 2]"
1 20 VAL 2.759 0.569 6 2 "[ .+ - . 2]"
1 21 ALA 0.314 0.025 20 0 "[ . 1 . 2]"
1 22 LEU 1.031 0.082 4 0 "[ . 1 . 2]"
1 23 ASN 8.737 0.938 12 5 "[ . ** 1*+ . - 2]"
1 24 GLN 0.892 0.039 6 0 "[ . 1 . 2]"
1 25 ILE 1.887 0.039 10 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 6.234 0.716 5 1 "[ + 1 . 2]"
1 28 ILE 0.227 0.021 15 0 "[ . 1 . 2]"
1 29 SER 0.080 0.016 8 0 "[ . 1 . 2]"
1 30 MET 0.634 0.069 9 0 "[ . 1 . 2]"
1 31 LYS 0.611 0.505 4 1 "[ +. 1 . 2]"
1 32 SER 0.745 0.505 4 1 "[ +. 1 . 2]"
1 33 PRO 0.124 0.033 16 0 "[ . 1 . 2]"
1 34 GLN 0.321 0.179 20 0 "[ . 1 . 2]"
1 35 VAL 0.967 0.205 16 0 "[ . 1 . 2]"
1 36 ILE 3.324 0.726 8 1 "[ . + 1 . 2]"
1 37 LEU 0.132 0.038 15 0 "[ . 1 . 2]"
1 38 VAL 0.253 0.038 15 0 "[ . 1 . 2]"
1 39 ASN 5.982 0.716 5 1 "[ + 1 . 2]"
1 40 MET 4.521 0.095 10 0 "[ . 1 . 2]"
1 41 ALA 2.189 0.992 7 1 "[ . + 1 . 2]"
1 42 SER 2.489 0.992 7 1 "[ . + 1 . 2]"
1 43 PHE 14.037 0.397 20 0 "[ . 1 . 2]"
1 44 PRO 7.645 0.397 20 0 "[ . 1 . 2]"
1 45 GLU 4.520 0.730 8 1 "[ . + 1 . 2]"
1 46 CYS 1.161 0.730 8 1 "[ . + 1 . 2]"
1 47 THR 1.098 0.053 11 0 "[ . 1 . 2]"
1 48 ALA 1.665 0.061 10 0 "[ . 1 . 2]"
1 49 ALA 1.281 0.116 10 0 "[ . 1 . 2]"
1 50 ALA 0.911 0.058 2 0 "[ . 1 . 2]"
1 51 ILE 3.041 0.061 10 0 "[ . 1 . 2]"
1 52 LYS 10.266 0.721 15 6 "[* . - * * + * 2]"
1 53 ALA 7.441 0.324 10 0 "[ . 1 . 2]"
1 54 ILE 1.926 0.098 14 0 "[ . 1 . 2]"
1 55 ARG 1.651 0.339 10 0 "[ . 1 . 2]"
1 56 GLU 6.787 0.324 10 0 "[ . 1 . 2]"
1 57 SER 0.098 0.023 17 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 MET 4.303 0.707 16 2 "[ - . 1 .+ 2]"
1 60 ASN 0.171 0.171 16 0 "[ . 1 . 2]"
1 61 LEU 3.907 0.707 16 2 "[ - . 1 .+ 2]"
1 62 ASN 2.448 0.169 19 0 "[ . 1 . 2]"
1 63 PRO 4.085 0.339 10 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.616 0.050 18 0 "[ . 1 . 2]"
1 66 GLU 1.694 0.224 13 0 "[ . 1 . 2]"
1 67 GLY 0.373 0.077 19 0 "[ . 1 . 2]"
1 68 THR 0.631 0.034 14 0 "[ . 1 . 2]"
1 69 LEU 1.491 0.077 19 0 "[ . 1 . 2]"
1 70 ILE 0.820 0.057 6 0 "[ . 1 . 2]"
1 71 ARG 2.340 0.318 3 0 "[ . 1 . 2]"
1 72 VAL 3.205 0.138 6 0 "[ . 1 . 2]"
1 73 PRO 1.328 0.082 16 0 "[ . 1 . 2]"
1 74 ILE 3.152 0.205 16 0 "[ . 1 . 2]"
1 75 PRO 1.966 0.150 20 0 "[ . 1 . 2]"
1 76 LYS 1.053 0.518 15 2 "[- . 1 + 2]"
1 77 VAL 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 6 SER HA 1 6 SER HB2 . . 2.980 2.628 2.364 3.044 0.064 8 0 "[ . 1 . 2]" 1
2 1 6 SER HB2 1 8 LEU QD . . 4.770 3.022 2.242 3.585 . 0 0 "[ . 1 . 2]" 1
3 1 6 SER HB2 1 36 ILE HG12 . . 4.760 3.119 2.162 4.262 . 0 0 "[ . 1 . 2]" 1
4 1 6 SER HB2 1 36 ILE MG . . 3.920 3.669 2.882 4.646 0.726 8 1 "[ . + 1 . 2]" 1
5 1 6 SER HB3 1 36 ILE MD . . 3.180 2.336 1.848 3.019 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY HA2 1 8 LEU QD . . 4.810 4.059 3.732 4.579 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY HA3 1 8 LEU QD . . 4.470 3.606 3.230 4.060 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY HA3 1 59 MET ME . . 4.180 3.551 2.937 4.162 . 0 0 "[ . 1 . 2]" 1
9 1 8 LEU H 1 8 LEU HB2 . . 3.400 2.601 2.472 2.929 . 0 0 "[ . 1 . 2]" 1
10 1 8 LEU H 1 8 LEU HB3 . . 4.140 3.670 3.569 3.894 . 0 0 "[ . 1 . 2]" 1
11 1 8 LEU H 1 8 LEU QD . . 4.610 3.061 2.715 3.611 . 0 0 "[ . 1 . 2]" 1
12 1 8 LEU H 1 8 LEU HG . . 4.510 3.960 2.737 4.487 . 0 0 "[ . 1 . 2]" 1
13 1 8 LEU H 1 9 ASP H . . 3.500 1.956 1.888 2.046 . 0 0 "[ . 1 . 2]" 1
14 1 8 LEU H 1 9 ASP HB2 . . 5.220 4.809 3.699 5.320 0.100 12 0 "[ . 1 . 2]" 1
15 1 8 LEU HA 1 8 LEU QD . . 3.110 2.516 2.046 2.652 . 0 0 "[ . 1 . 2]" 1
16 1 8 LEU HA 1 8 LEU HG . . 3.490 2.600 2.290 3.193 . 0 0 "[ . 1 . 2]" 1
17 1 8 LEU HA 1 10 HIS HE1 . . 4.040 3.979 3.737 4.047 0.007 6 0 "[ . 1 . 2]" 1
18 1 8 LEU HA 1 11 ILE H . . 4.720 2.763 2.668 2.933 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU HA 1 11 ILE HB . . 5.030 2.227 1.995 2.940 . 0 0 "[ . 1 . 2]" 1
20 1 8 LEU HA 1 11 ILE MD . . 3.390 2.427 1.986 3.418 0.028 15 0 "[ . 1 . 2]" 1
21 1 8 LEU HA 1 11 ILE HG12 . . 4.280 3.821 1.996 4.284 0.004 2 0 "[ . 1 . 2]" 1
22 1 8 LEU HA 1 11 ILE HG13 . . 4.280 2.401 1.991 2.942 . 0 0 "[ . 1 . 2]" 1
23 1 8 LEU HA 1 11 ILE MG . . 4.130 3.625 3.452 4.011 . 0 0 "[ . 1 . 2]" 1
24 1 8 LEU HA 1 22 LEU MD1 . . 4.320 2.945 2.488 3.524 . 0 0 "[ . 1 . 2]" 1
25 1 8 LEU HA 1 59 MET ME . . 3.850 3.832 3.564 3.880 0.030 18 0 "[ . 1 . 2]" 1
26 1 8 LEU HB2 1 8 LEU QD . . 3.160 2.125 2.056 2.247 . 0 0 "[ . 1 . 2]" 1
27 1 8 LEU HB2 1 9 ASP H . . 4.970 2.716 2.487 2.853 . 0 0 "[ . 1 . 2]" 1
28 1 8 LEU HB2 1 9 ASP HA . . 4.600 4.436 3.995 4.629 0.029 4 0 "[ . 1 . 2]" 1
29 1 8 LEU HB2 1 22 LEU MD1 . . 3.350 3.332 3.043 3.432 0.082 4 0 "[ . 1 . 2]" 1
30 1 8 LEU HB3 1 8 LEU QD . . 3.120 2.188 2.022 2.312 . 0 0 "[ . 1 . 2]" 1
31 1 8 LEU HB3 1 22 LEU MD1 . . 3.300 1.947 1.899 2.106 . 0 0 "[ . 1 . 2]" 1
32 1 8 LEU QD 1 10 HIS HE1 . . 4.430 4.122 3.786 4.377 . 0 0 "[ . 1 . 2]" 1
33 1 8 LEU QD 1 11 ILE HB . . 4.270 3.860 3.530 4.025 . 0 0 "[ . 1 . 2]" 1
34 1 8 LEU QD 1 11 ILE HG13 . . 4.240 3.587 2.252 4.027 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU QD 1 36 ILE HB . . 3.620 2.840 1.851 3.433 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU QD 1 36 ILE HG12 . . 4.470 3.685 2.840 4.183 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU QD 1 59 MET ME . . 3.090 2.166 1.927 2.385 . 0 0 "[ . 1 . 2]" 1
38 1 8 LEU QD 1 72 VAL HB . . 4.290 2.821 2.297 3.116 . 0 0 "[ . 1 . 2]" 1
39 1 8 LEU HG 1 11 ILE HG13 . . 4.630 4.364 4.001 4.644 0.014 13 0 "[ . 1 . 2]" 1
40 1 8 LEU HG 1 59 MET ME . . 3.990 3.659 3.279 3.984 . 0 0 "[ . 1 . 2]" 1
41 1 9 ASP H 1 9 ASP HB2 . . 3.710 3.261 2.418 3.574 . 0 0 "[ . 1 . 2]" 1
42 1 9 ASP H 1 28 ILE MD . . 4.570 2.916 2.403 3.177 . 0 0 "[ . 1 . 2]" 1
43 1 9 ASP HA 1 11 ILE H . . 4.810 4.481 4.308 4.759 . 0 0 "[ . 1 . 2]" 1
44 1 9 ASP HA 1 22 LEU HB2 . . 5.110 3.796 3.387 4.147 . 0 0 "[ . 1 . 2]" 1
45 1 9 ASP HA 1 22 LEU HB3 . . 4.620 3.132 2.912 3.434 . 0 0 "[ . 1 . 2]" 1
46 1 9 ASP HA 1 22 LEU MD1 . . 4.500 4.398 4.106 4.505 0.005 1 0 "[ . 1 . 2]" 1
47 1 9 ASP HA 1 23 ASN H . . 4.330 3.267 2.856 3.565 . 0 0 "[ . 1 . 2]" 1
48 1 9 ASP HA 1 23 ASN HA . . 4.550 4.100 3.788 4.427 . 0 0 "[ . 1 . 2]" 1
49 1 9 ASP HA 1 23 ASN HB2 . . 4.420 4.281 3.932 4.430 0.010 19 0 "[ . 1 . 2]" 1
50 1 9 ASP HA 1 23 ASN HB3 . . 3.960 2.574 2.181 2.825 . 0 0 "[ . 1 . 2]" 1
51 1 9 ASP HA 1 23 ASN HD21 . . 5.350 3.753 2.472 5.355 0.005 6 0 "[ . 1 . 2]" 1
52 1 9 ASP HA 1 23 ASN HD22 . . 5.470 4.682 4.184 5.127 . 0 0 "[ . 1 . 2]" 1
53 1 9 ASP HA 1 28 ILE MD . . 3.390 2.144 1.847 2.691 . 0 0 "[ . 1 . 2]" 1
54 1 9 ASP HB3 1 23 ASN HB2 . . 4.430 4.297 3.786 4.847 0.417 1 0 "[ . 1 . 2]" 1
55 1 9 ASP HB3 1 23 ASN HB3 . . 4.210 2.995 2.472 3.499 . 0 0 "[ . 1 . 2]" 1
56 1 9 ASP HB3 1 23 ASN HD21 . . 4.470 3.580 2.265 5.408 0.938 12 2 "[ . 1-+ . 2]" 1
57 1 9 ASP HB3 1 23 ASN HD22 . . 4.730 4.717 3.566 5.498 0.768 7 5 "[ . +* 1** . - 2]" 1
58 1 9 ASP HB3 1 28 ILE MD . . 4.190 2.861 2.136 3.660 . 0 0 "[ . 1 . 2]" 1
59 1 10 HIS H 1 11 ILE H . . 4.730 2.324 2.123 2.508 . 0 0 "[ . 1 . 2]" 1
60 1 10 HIS HB2 1 10 HIS HD2 . . 3.980 2.835 2.718 3.701 . 0 0 "[ . 1 . 2]" 1
61 1 10 HIS HB2 1 11 ILE H . . 5.170 4.122 3.910 4.280 . 0 0 "[ . 1 . 2]" 1
62 1 10 HIS HE1 1 11 ILE MD . . 4.530 3.231 2.228 3.632 . 0 0 "[ . 1 . 2]" 1
63 1 10 HIS HE1 1 11 ILE HG13 . . 5.070 2.506 2.123 3.743 . 0 0 "[ . 1 . 2]" 1
64 1 10 HIS HE1 1 59 MET ME . . 4.160 3.255 2.491 3.960 . 0 0 "[ . 1 . 2]" 1
65 1 11 ILE H 1 11 ILE HB . . 3.320 2.276 2.144 2.442 . 0 0 "[ . 1 . 2]" 1
66 1 11 ILE H 1 11 ILE MD . . 4.110 3.731 3.488 3.957 . 0 0 "[ . 1 . 2]" 1
67 1 11 ILE H 1 11 ILE HG12 . . 3.810 3.331 1.989 3.809 . 0 0 "[ . 1 . 2]" 1
68 1 11 ILE H 1 11 ILE HG13 . . 3.590 2.413 2.149 3.256 . 0 0 "[ . 1 . 2]" 1
69 1 11 ILE H 1 11 ILE MG . . 3.720 3.659 3.588 3.711 . 0 0 "[ . 1 . 2]" 1
70 1 11 ILE H 1 12 THR H . . 4.940 4.668 4.657 4.673 . 0 0 "[ . 1 . 2]" 1
71 1 11 ILE H 1 22 LEU H . . 4.890 4.502 4.296 4.606 . 0 0 "[ . 1 . 2]" 1
72 1 11 ILE H 1 22 LEU HB2 . . 5.080 3.960 3.808 4.028 . 0 0 "[ . 1 . 2]" 1
73 1 11 ILE H 1 22 LEU HB3 . . 4.930 4.918 4.864 4.941 0.011 4 0 "[ . 1 . 2]" 1
74 1 11 ILE HA 1 11 ILE MD . . 3.590 3.600 2.108 3.747 0.157 9 0 "[ . 1 . 2]" 1
75 1 11 ILE HA 1 11 ILE HG12 . . 3.530 2.309 2.159 2.737 . 0 0 "[ . 1 . 2]" 1
76 1 11 ILE HA 1 11 ILE HG13 . . 3.810 2.987 2.603 3.716 . 0 0 "[ . 1 . 2]" 1
77 1 11 ILE HA 1 11 ILE MG . . 3.190 2.601 2.471 2.708 . 0 0 "[ . 1 . 2]" 1
78 1 11 ILE HA 1 12 THR H . . 2.910 2.352 2.294 2.483 . 0 0 "[ . 1 . 2]" 1
79 1 11 ILE HB 1 11 ILE MD . . 3.170 2.498 2.291 3.189 0.019 15 0 "[ . 1 . 2]" 1
80 1 11 ILE HB 1 12 THR H . . 4.390 4.060 3.728 4.228 . 0 0 "[ . 1 . 2]" 1
81 1 11 ILE HB 1 22 LEU H . . 4.870 4.209 3.674 4.521 . 0 0 "[ . 1 . 2]" 1
82 1 11 ILE MD 1 12 THR H . . 4.540 4.351 3.220 4.563 0.023 18 0 "[ . 1 . 2]" 1
83 1 11 ILE MD 1 54 ILE H . . 4.190 4.062 3.858 4.210 0.020 16 0 "[ . 1 . 2]" 1
84 1 11 ILE MD 1 54 ILE HA . . 3.260 2.347 1.996 2.599 . 0 0 "[ . 1 . 2]" 1
85 1 11 ILE MD 1 57 SER HA . . 4.530 3.995 3.617 4.465 . 0 0 "[ . 1 . 2]" 1
86 1 11 ILE MD 1 57 SER QB . . 3.690 1.993 1.780 2.576 . 0 0 "[ . 1 . 2]" 1
87 1 11 ILE MD 1 59 MET ME . . 2.830 1.881 1.738 2.152 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE HG12 1 11 ILE MG . . 3.300 2.592 2.405 3.226 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE HG12 1 57 SER QB . . 4.600 3.217 2.813 4.192 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE HG12 1 59 MET ME . . 4.160 3.729 3.323 4.118 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE HG13 1 11 ILE MG . . 3.290 3.192 2.560 3.241 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE HG13 1 12 THR H . . 4.910 4.893 4.566 4.995 0.085 13 0 "[ . 1 . 2]" 1
93 1 11 ILE HG13 1 59 MET ME . . 4.340 3.439 3.098 3.782 . 0 0 "[ . 1 . 2]" 1
94 1 11 ILE MG 1 12 THR H . . 3.630 2.143 1.813 2.351 . 0 0 "[ . 1 . 2]" 1
95 1 11 ILE MG 1 12 THR HB . . 4.490 4.275 4.169 4.407 . 0 0 "[ . 1 . 2]" 1
96 1 11 ILE MG 1 13 VAL HA . . 4.160 4.059 3.994 4.156 . 0 0 "[ . 1 . 2]" 1
97 1 11 ILE MG 1 22 LEU H . . 4.580 3.913 3.607 4.280 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE MG 1 53 ALA H . . 4.910 4.843 4.488 4.944 0.034 10 0 "[ . 1 . 2]" 1
99 1 11 ILE MG 1 53 ALA MB . . 2.880 2.106 1.809 2.274 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE MG 1 54 ILE H . . 4.340 3.540 3.118 3.747 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE MG 1 54 ILE HA . . 3.950 3.084 2.670 3.415 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE MG 1 54 ILE HG13 . . 3.930 2.898 2.485 3.182 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE MG 1 57 SER QB . . 4.020 3.229 2.720 3.680 . 0 0 "[ . 1 . 2]" 1
104 1 12 THR H 1 12 THR HB . . 3.590 2.799 2.746 2.971 . 0 0 "[ . 1 . 2]" 1
105 1 12 THR H 1 12 THR MG . . 4.200 3.837 3.795 3.915 . 0 0 "[ . 1 . 2]" 1
106 1 12 THR H 1 13 VAL H . . 4.860 4.486 4.367 4.519 . 0 0 "[ . 1 . 2]" 1
107 1 12 THR H 1 53 ALA MB . . 4.660 3.599 2.676 3.926 . 0 0 "[ . 1 . 2]" 1
108 1 12 THR HA 1 12 THR MG . . 3.140 2.220 2.080 2.290 . 0 0 "[ . 1 . 2]" 1
109 1 12 THR HA 1 13 VAL H . . 3.060 2.232 2.201 2.286 . 0 0 "[ . 1 . 2]" 1
110 1 12 THR HA 1 13 VAL HA . . 4.910 4.346 4.335 4.358 . 0 0 "[ . 1 . 2]" 1
111 1 12 THR HA 1 13 VAL HB . . 4.690 4.491 4.404 4.600 . 0 0 "[ . 1 . 2]" 1
112 1 12 THR HA 1 13 VAL MG2 . . 3.580 3.366 3.225 3.478 . 0 0 "[ . 1 . 2]" 1
113 1 12 THR HA 1 22 LEU H . . 5.090 3.287 3.065 3.453 . 0 0 "[ . 1 . 2]" 1
114 1 12 THR HA 1 22 LEU HB2 . . 4.820 4.311 4.128 4.438 . 0 0 "[ . 1 . 2]" 1
115 1 12 THR HB 1 13 VAL H . . 3.870 3.871 3.761 3.924 0.054 13 0 "[ . 1 . 2]" 1
116 1 12 THR HB 1 19 LYS HB3 . . 5.150 4.392 3.312 5.131 . 0 0 "[ . 1 . 2]" 1
117 1 12 THR HB 1 19 LYS HD3 . . 4.240 2.848 2.015 4.031 . 0 0 "[ . 1 . 2]" 1
118 1 12 THR HB 1 19 LYS HG2 . . 4.340 3.889 3.314 4.981 0.641 6 4 "[ * .+- * . 2]" 1
119 1 12 THR HB 1 19 LYS HG3 . . 4.970 4.766 4.337 4.975 0.005 19 0 "[ . 1 . 2]" 1
120 1 12 THR HB 1 20 VAL H . . 4.920 4.882 4.703 4.937 0.017 18 0 "[ . 1 . 2]" 1
121 1 12 THR MG 1 13 VAL H . . 3.640 2.583 2.316 2.824 . 0 0 "[ . 1 . 2]" 1
122 1 12 THR MG 1 13 VAL HA . . 4.760 4.402 4.277 4.531 . 0 0 "[ . 1 . 2]" 1
123 1 12 THR MG 1 19 LYS HA . . 4.480 3.490 3.112 3.724 . 0 0 "[ . 1 . 2]" 1
124 1 12 THR MG 1 19 LYS HB2 . . 3.960 3.671 3.320 3.975 0.015 13 0 "[ . 1 . 2]" 1
125 1 12 THR MG 1 19 LYS HB3 . . 3.230 2.353 1.884 2.872 . 0 0 "[ . 1 . 2]" 1
126 1 12 THR MG 1 19 LYS HD3 . . 3.240 2.550 1.917 3.260 0.020 10 0 "[ . 1 . 2]" 1
127 1 12 THR MG 1 19 LYS QE . . 3.930 3.473 2.757 3.729 . 0 0 "[ . 1 . 2]" 1
128 1 12 THR MG 1 19 LYS HG3 . . 3.980 3.672 3.420 3.931 . 0 0 "[ . 1 . 2]" 1
129 1 12 THR MG 1 20 VAL H . . 3.990 2.494 2.271 2.699 . 0 0 "[ . 1 . 2]" 1
130 1 12 THR MG 1 21 ALA H . . 4.720 3.859 3.450 4.208 . 0 0 "[ . 1 . 2]" 1
131 1 12 THR MG 1 21 ALA HA . . 4.750 2.872 2.574 3.082 . 0 0 "[ . 1 . 2]" 1
132 1 12 THR MG 1 21 ALA MB . . 4.390 3.712 3.454 3.941 . 0 0 "[ . 1 . 2]" 1
133 1 12 THR MG 1 22 LEU H . . 4.630 4.602 4.314 4.651 0.021 17 0 "[ . 1 . 2]" 1
134 1 13 VAL H 1 13 VAL HB . . 3.540 2.521 2.451 2.625 . 0 0 "[ . 1 . 2]" 1
135 1 13 VAL H 1 13 VAL MG1 . . 3.890 3.795 3.754 3.847 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL H 1 13 VAL MG2 . . 3.500 2.632 2.495 2.748 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL H 1 14 VAL H . . 4.840 4.425 4.328 4.512 . 0 0 "[ . 1 . 2]" 1
138 1 13 VAL H 1 19 LYS HA . . 4.920 4.542 4.190 4.706 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL H 1 20 VAL H . . 3.730 2.757 2.613 2.916 . 0 0 "[ . 1 . 2]" 1
140 1 13 VAL H 1 20 VAL HB . . 5.190 5.116 4.924 5.201 0.011 18 0 "[ . 1 . 2]" 1
141 1 13 VAL H 1 22 LEU H . . 4.760 4.309 4.073 4.507 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL H 1 22 LEU HB2 . . 5.260 5.142 5.012 5.264 0.004 14 0 "[ . 1 . 2]" 1
143 1 13 VAL H 1 25 ILE MD . . 5.120 4.301 4.152 4.493 . 0 0 "[ . 1 . 2]" 1
144 1 13 VAL H 1 53 ALA MB . . 4.950 4.078 3.966 4.173 . 0 0 "[ . 1 . 2]" 1
145 1 13 VAL HA 1 13 VAL MG1 . . 3.290 2.377 2.289 2.459 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL HA 1 13 VAL MG2 . . 3.270 2.373 2.313 2.448 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL HA 1 14 VAL H . . 2.960 2.216 2.186 2.293 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL HA 1 14 VAL HB . . 4.370 4.356 4.260 4.404 0.034 10 0 "[ . 1 . 2]" 1
149 1 13 VAL HA 1 14 VAL QG . . 4.200 3.846 3.767 3.963 . 0 0 "[ . 1 . 2]" 1
150 1 13 VAL HA 1 49 ALA MB . . 4.700 4.287 3.988 4.571 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL HA 1 53 ALA HA . . 4.200 4.105 3.994 4.224 0.024 15 0 "[ . 1 . 2]" 1
152 1 13 VAL HA 1 53 ALA MB . . 2.970 2.110 1.943 2.328 . 0 0 "[ . 1 . 2]" 1
153 1 13 VAL HB 1 14 VAL H . . 4.570 4.213 4.042 4.343 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL HB 1 15 THR MG . . 3.920 3.256 2.902 3.611 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL HB 1 20 VAL H . . 4.430 3.945 3.696 4.152 . 0 0 "[ . 1 . 2]" 1
156 1 13 VAL HB 1 20 VAL MG2 . . 3.380 2.743 2.565 2.918 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL HB 1 25 ILE MD . . 3.410 2.081 1.968 2.291 . 0 0 "[ . 1 . 2]" 1
158 1 13 VAL MG1 1 14 VAL H . . 3.310 2.628 2.236 2.872 . 0 0 "[ . 1 . 2]" 1
159 1 13 VAL MG1 1 15 THR MG . . 3.160 2.599 2.062 3.160 . 0 0 "[ . 1 . 2]" 1
160 1 13 VAL MG1 1 22 LEU HA . . 4.530 4.533 4.496 4.554 0.024 10 0 "[ . 1 . 2]" 1
161 1 13 VAL MG1 1 25 ILE MG . . 4.710 3.206 3.046 3.393 . 0 0 "[ . 1 . 2]" 1
162 1 13 VAL MG1 1 49 ALA H . . 4.780 4.317 4.066 4.604 . 0 0 "[ . 1 . 2]" 1
163 1 13 VAL MG1 1 49 ALA HA . . 4.300 3.443 3.117 3.775 . 0 0 "[ . 1 . 2]" 1
164 1 13 VAL MG1 1 49 ALA MB . . 2.860 1.871 1.715 2.168 . 0 0 "[ . 1 . 2]" 1
165 1 13 VAL MG1 1 50 ALA H . . 4.010 2.595 2.436 2.878 . 0 0 "[ . 1 . 2]" 1
166 1 13 VAL MG1 1 50 ALA HA . . 2.840 2.166 2.022 2.354 . 0 0 "[ . 1 . 2]" 1
167 1 13 VAL MG1 1 50 ALA MB . . 3.380 2.804 2.600 3.056 . 0 0 "[ . 1 . 2]" 1
168 1 13 VAL MG1 1 53 ALA H . . 4.410 3.393 3.182 3.614 . 0 0 "[ . 1 . 2]" 1
169 1 13 VAL MG1 1 53 ALA MB . . 3.270 2.659 2.364 3.035 . 0 0 "[ . 1 . 2]" 1
170 1 13 VAL MG2 1 14 VAL H . . 4.250 4.062 3.924 4.213 . 0 0 "[ . 1 . 2]" 1
171 1 13 VAL MG2 1 22 LEU H . . 3.590 3.460 3.278 3.561 . 0 0 "[ . 1 . 2]" 1
172 1 13 VAL MG2 1 22 LEU HA . . 3.400 2.448 2.325 2.641 . 0 0 "[ . 1 . 2]" 1
173 1 13 VAL MG2 1 22 LEU HB2 . . 3.520 3.193 3.102 3.334 . 0 0 "[ . 1 . 2]" 1
174 1 13 VAL MG2 1 22 LEU HG . . 3.170 1.943 1.840 2.035 . 0 0 "[ . 1 . 2]" 1
175 1 13 VAL MG2 1 25 ILE HG12 . . 3.750 3.319 3.115 3.623 . 0 0 "[ . 1 . 2]" 1
176 1 13 VAL MG2 1 25 ILE MG . . 4.430 3.875 3.738 4.114 . 0 0 "[ . 1 . 2]" 1
177 1 13 VAL MG2 1 50 ALA H . . 4.210 3.857 3.610 4.039 . 0 0 "[ . 1 . 2]" 1
178 1 13 VAL MG2 1 50 ALA HA . . 2.930 1.942 1.799 2.125 . 0 0 "[ . 1 . 2]" 1
179 1 13 VAL MG2 1 50 ALA MB . . 3.440 2.541 2.301 2.768 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL MG2 1 53 ALA H . . 4.810 3.708 3.534 3.906 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL MG2 1 53 ALA HA . . 4.330 4.323 4.262 4.343 0.013 6 0 "[ . 1 . 2]" 1
182 1 13 VAL MG2 1 53 ALA MB . . 2.680 1.874 1.824 1.923 . 0 0 "[ . 1 . 2]" 1
183 1 14 VAL H 1 14 VAL HB . . 3.280 2.185 2.104 2.213 . 0 0 "[ . 1 . 2]" 1
184 1 14 VAL H 1 14 VAL QG . . 3.110 2.580 2.501 2.742 . 0 0 "[ . 1 . 2]" 1
185 1 14 VAL H 1 15 THR H . . 4.710 4.461 4.353 4.636 . 0 0 "[ . 1 . 2]" 1
186 1 14 VAL H 1 15 THR MG . . 5.040 4.238 3.771 4.640 . 0 0 "[ . 1 . 2]" 1
187 1 14 VAL H 1 49 ALA MB . . 4.420 3.623 3.211 4.072 . 0 0 "[ . 1 . 2]" 1
188 1 14 VAL H 1 53 ALA MB . . 4.330 3.433 3.217 3.707 . 0 0 "[ . 1 . 2]" 1
189 1 14 VAL HA 1 14 VAL QG . . 3.020 2.038 2.008 2.128 . 0 0 "[ . 1 . 2]" 1
190 1 14 VAL HA 1 15 THR H . . 2.940 2.193 2.182 2.281 . 0 0 "[ . 1 . 2]" 1
191 1 14 VAL HA 1 15 THR MG . . 4.120 3.503 3.100 3.941 . 0 0 "[ . 1 . 2]" 1
192 1 14 VAL HA 1 18 GLY H . . 5.190 5.078 4.795 5.193 0.003 17 0 "[ . 1 . 2]" 1
193 1 14 VAL HA 1 19 LYS HA . . 3.820 2.617 2.342 2.863 . 0 0 "[ . 1 . 2]" 1
194 1 14 VAL HA 1 19 LYS HG2 . . 4.630 2.671 2.090 3.143 . 0 0 "[ . 1 . 2]" 1
195 1 14 VAL HA 1 19 LYS HG3 . . 4.170 2.835 1.998 4.411 0.241 6 0 "[ . 1 . 2]" 1
196 1 14 VAL HA 1 20 VAL H . . 4.180 3.935 3.786 4.125 . 0 0 "[ . 1 . 2]" 1
197 1 14 VAL HA 1 20 VAL MG2 . . 4.730 4.524 4.317 4.738 0.008 16 0 "[ . 1 . 2]" 1
198 1 14 VAL HB 1 15 THR H . . 4.990 4.500 4.222 4.631 . 0 0 "[ . 1 . 2]" 1
199 1 14 VAL HB 1 49 ALA MB . . 4.550 4.208 3.616 4.554 0.004 4 0 "[ . 1 . 2]" 1
200 1 14 VAL QG 1 15 THR H . . 3.630 2.846 2.302 3.101 . 0 0 "[ . 1 . 2]" 1
201 1 14 VAL QG 1 15 THR HA . . 4.870 3.623 3.240 3.863 . 0 0 "[ . 1 . 2]" 1
202 1 14 VAL QG 1 18 GLY H . . 5.260 4.447 3.747 4.814 . 0 0 "[ . 1 . 2]" 1
203 1 14 VAL QG 1 19 LYS HA . . 4.490 3.512 3.292 3.768 . 0 0 "[ . 1 . 2]" 1
204 1 14 VAL QG 1 19 LYS HD3 . . 3.650 3.138 1.981 3.605 . 0 0 "[ . 1 . 2]" 1
205 1 14 VAL QG 1 19 LYS QE . . 3.550 2.253 1.699 3.396 . 0 0 "[ . 1 . 2]" 1
206 1 14 VAL QG 1 19 LYS HG2 . . 3.830 2.563 1.971 3.299 . 0 0 "[ . 1 . 2]" 1
207 1 14 VAL QG 1 19 LYS HG3 . . 3.540 2.144 1.913 3.026 . 0 0 "[ . 1 . 2]" 1
208 1 14 VAL QG 1 20 VAL H . . 5.020 4.628 4.475 4.749 . 0 0 "[ . 1 . 2]" 1
209 1 15 THR H 1 15 THR HG1 . . 4.190 2.840 1.950 3.468 . 0 0 "[ . 1 . 2]" 1
210 1 15 THR H 1 15 THR MG . . 3.630 2.498 2.034 2.870 . 0 0 "[ . 1 . 2]" 1
211 1 15 THR H 1 18 GLY H . . 4.140 3.296 3.049 3.461 . 0 0 "[ . 1 . 2]" 1
212 1 15 THR H 1 18 GLY HA3 . . 5.050 4.829 4.494 5.016 . 0 0 "[ . 1 . 2]" 1
213 1 15 THR H 1 19 LYS HA . . 4.080 2.778 2.557 3.304 . 0 0 "[ . 1 . 2]" 1
214 1 15 THR H 1 20 VAL H . . 4.890 4.193 3.806 4.743 . 0 0 "[ . 1 . 2]" 1
215 1 15 THR H 1 20 VAL MG2 . . 4.660 3.971 3.562 4.490 . 0 0 "[ . 1 . 2]" 1
216 1 15 THR HA 1 15 THR MG . . 3.600 2.507 2.348 2.590 . 0 0 "[ . 1 . 2]" 1
217 1 15 THR HB 1 16 ALA MB . . 4.690 3.950 3.558 4.343 . 0 0 "[ . 1 . 2]" 1
218 1 15 THR HB 1 17 ASP H . . 4.900 4.211 3.389 4.787 . 0 0 "[ . 1 . 2]" 1
219 1 15 THR HB 1 18 GLY H . . 4.640 4.153 3.865 4.577 . 0 0 "[ . 1 . 2]" 1
220 1 15 THR HG1 1 17 ASP H . . 4.550 3.529 2.716 4.266 . 0 0 "[ . 1 . 2]" 1
221 1 15 THR HG1 1 18 GLY H . . 4.070 2.420 1.947 3.168 . 0 0 "[ . 1 . 2]" 1
222 1 15 THR MG 1 18 GLY H . . 4.920 4.271 3.912 4.657 . 0 0 "[ . 1 . 2]" 1
223 1 15 THR MG 1 19 LYS HA . . 5.030 3.426 2.527 4.178 . 0 0 "[ . 1 . 2]" 1
224 1 15 THR MG 1 20 VAL H . . 4.450 3.303 2.838 3.725 . 0 0 "[ . 1 . 2]" 1
225 1 15 THR MG 1 20 VAL HB . . 4.160 4.078 3.882 4.195 0.035 4 0 "[ . 1 . 2]" 1
226 1 15 THR MG 1 20 VAL MG1 . . 3.500 2.672 2.204 3.083 . 0 0 "[ . 1 . 2]" 1
227 1 15 THR MG 1 20 VAL MG2 . . 2.950 1.777 1.687 1.914 . 0 0 "[ . 1 . 2]" 1
228 1 15 THR MG 1 25 ILE MD . . 3.320 3.015 2.541 3.330 0.010 16 0 "[ . 1 . 2]" 1
229 1 15 THR MG 1 25 ILE MG . . 3.970 2.177 1.817 2.556 . 0 0 "[ . 1 . 2]" 1
230 1 15 THR MG 1 46 CYS HB2 . . 4.810 4.233 3.446 4.814 0.004 13 0 "[ . 1 . 2]" 1
231 1 15 THR MG 1 46 CYS HB3 . . 4.510 3.596 2.859 4.271 . 0 0 "[ . 1 . 2]" 1
232 1 15 THR MG 1 49 ALA MB . . 3.780 3.391 2.884 3.785 0.005 11 0 "[ . 1 . 2]" 1
233 1 16 ALA HA 1 18 GLY H . . 4.800 4.464 4.136 4.834 0.034 13 0 "[ . 1 . 2]" 1
234 1 16 ALA MB 1 17 ASP H . . 4.220 3.057 2.018 3.793 . 0 0 "[ . 1 . 2]" 1
235 1 16 ALA MB 1 17 ASP HB2 . . 4.640 4.000 3.076 5.469 0.829 7 1 "[ . + 1 . 2]" 1
236 1 16 ALA MB 1 18 GLY H . . 4.990 4.743 4.271 5.030 0.040 2 0 "[ . 1 . 2]" 1
237 1 17 ASP H 1 18 GLY H . . 3.410 2.391 1.891 3.094 . 0 0 "[ . 1 . 2]" 1
238 1 17 ASP HB2 1 18 GLY H . . 4.830 3.548 2.259 4.668 . 0 0 "[ . 1 . 2]" 1
239 1 17 ASP HB3 1 18 GLY H . . 5.010 3.097 2.422 4.514 . 0 0 "[ . 1 . 2]" 1
240 1 18 GLY H 1 19 LYS H . . 5.350 4.054 3.499 4.366 . 0 0 "[ . 1 . 2]" 1
241 1 19 LYS HA 1 20 VAL H . . 3.090 2.291 2.194 2.373 . 0 0 "[ . 1 . 2]" 1
242 1 19 LYS HB2 1 20 VAL H . . 4.490 4.351 4.234 4.502 0.012 10 0 "[ . 1 . 2]" 1
243 1 19 LYS HB3 1 19 LYS QE . . 5.040 3.724 2.946 4.046 . 0 0 "[ . 1 . 2]" 1
244 1 19 LYS HB3 1 20 VAL H . . 4.190 3.331 3.094 3.524 . 0 0 "[ . 1 . 2]" 1
245 1 19 LYS HD3 1 19 LYS HG2 . . 2.970 2.372 2.264 2.802 . 0 0 "[ . 1 . 2]" 1
246 1 19 LYS QE 1 19 LYS HG2 . . 3.580 2.922 2.054 3.349 . 0 0 "[ . 1 . 2]" 1
247 1 19 LYS QE 1 19 LYS HG3 . . 3.620 2.289 1.972 2.884 . 0 0 "[ . 1 . 2]" 1
248 1 19 LYS HG3 1 20 VAL H . . 4.680 4.308 3.718 5.249 0.569 6 2 "[ .+ - . 2]" 1
249 1 20 VAL H 1 20 VAL MG1 . . 3.820 3.047 2.851 3.221 . 0 0 "[ . 1 . 2]" 1
250 1 20 VAL H 1 20 VAL MG2 . . 3.330 2.243 2.028 2.398 . 0 0 "[ . 1 . 2]" 1
251 1 20 VAL H 1 21 ALA H . . 4.930 4.400 4.363 4.468 . 0 0 "[ . 1 . 2]" 1
252 1 20 VAL HA 1 20 VAL MG1 . . 3.090 2.336 2.287 2.373 . 0 0 "[ . 1 . 2]" 1
253 1 20 VAL HA 1 20 VAL MG2 . . 3.450 3.219 3.216 3.220 . 0 0 "[ . 1 . 2]" 1
254 1 20 VAL HA 1 21 ALA H . . 2.880 2.489 2.435 2.524 . 0 0 "[ . 1 . 2]" 1
255 1 20 VAL HA 1 21 ALA MB . . 4.700 4.010 3.961 4.049 . 0 0 "[ . 1 . 2]" 1
256 1 20 VAL HB 1 21 ALA H . . 3.450 2.463 2.396 2.563 . 0 0 "[ . 1 . 2]" 1
257 1 20 VAL HB 1 21 ALA MB . . 4.070 4.078 4.052 4.095 0.025 20 0 "[ . 1 . 2]" 1
258 1 20 VAL HB 1 24 GLN H . . 5.000 4.971 4.868 5.014 0.014 20 0 "[ . 1 . 2]" 1
259 1 20 VAL HB 1 24 GLN HB2 . . 3.960 2.460 2.381 2.556 . 0 0 "[ . 1 . 2]" 1
260 1 20 VAL HB 1 24 GLN HG3 . . 4.390 2.763 2.665 2.877 . 0 0 "[ . 1 . 2]" 1
261 1 20 VAL HB 1 25 ILE MG . . 4.120 3.293 3.203 3.363 . 0 0 "[ . 1 . 2]" 1
262 1 20 VAL MG1 1 21 ALA H . . 3.910 3.784 3.735 3.823 . 0 0 "[ . 1 . 2]" 1
263 1 20 VAL MG1 1 24 GLN HB2 . . 4.150 3.866 3.777 3.937 . 0 0 "[ . 1 . 2]" 1
264 1 20 VAL MG1 1 25 ILE H . . 5.140 5.155 5.143 5.179 0.039 10 0 "[ . 1 . 2]" 1
265 1 20 VAL MG1 1 25 ILE MG . . 3.480 3.351 3.283 3.424 . 0 0 "[ . 1 . 2]" 1
266 1 20 VAL MG2 1 21 ALA H . . 3.570 3.368 3.235 3.536 . 0 0 "[ . 1 . 2]" 1
267 1 20 VAL MG2 1 24 GLN H . . 4.870 4.137 4.012 4.263 . 0 0 "[ . 1 . 2]" 1
268 1 20 VAL MG2 1 24 GLN HB2 . . 3.410 2.662 2.522 2.736 . 0 0 "[ . 1 . 2]" 1
269 1 20 VAL MG2 1 24 GLN HG3 . . 3.960 3.964 3.886 3.976 0.016 19 0 "[ . 1 . 2]" 1
270 1 20 VAL MG2 1 25 ILE H . . 4.500 3.057 2.972 3.130 . 0 0 "[ . 1 . 2]" 1
271 1 20 VAL MG2 1 25 ILE HB . . 4.260 4.043 3.959 4.138 . 0 0 "[ . 1 . 2]" 1
272 1 20 VAL MG2 1 25 ILE MG . . 2.900 1.692 1.658 1.763 . 0 0 "[ . 1 . 2]" 1
273 1 21 ALA H 1 21 ALA MB . . 2.790 2.033 1.974 2.091 . 0 0 "[ . 1 . 2]" 1
274 1 21 ALA H 1 22 LEU H . . 5.110 4.628 4.610 4.642 . 0 0 "[ . 1 . 2]" 1
275 1 21 ALA H 1 24 GLN HB2 . . 4.370 3.183 3.034 3.326 . 0 0 "[ . 1 . 2]" 1
276 1 21 ALA H 1 24 GLN HG3 . . 4.270 1.945 1.938 1.949 . 0 0 "[ . 1 . 2]" 1
277 1 21 ALA HA 1 22 LEU H . . 3.020 2.337 2.274 2.392 . 0 0 "[ . 1 . 2]" 1
278 1 21 ALA HA 1 22 LEU HA . . 4.700 4.288 4.282 4.293 . 0 0 "[ . 1 . 2]" 1
279 1 21 ALA MB 1 22 LEU H . . 3.480 2.822 2.676 3.011 . 0 0 "[ . 1 . 2]" 1
280 1 21 ALA MB 1 23 ASN H . . 3.620 2.125 1.981 2.214 . 0 0 "[ . 1 . 2]" 1
281 1 21 ALA MB 1 23 ASN HB3 . . 4.640 3.893 3.674 4.208 . 0 0 "[ . 1 . 2]" 1
282 1 21 ALA MB 1 23 ASN HD21 . . 5.500 3.407 2.500 4.084 . 0 0 "[ . 1 . 2]" 1
283 1 21 ALA MB 1 23 ASN HD22 . . 5.220 2.696 2.135 3.299 . 0 0 "[ . 1 . 2]" 1
284 1 21 ALA MB 1 24 GLN H . . 3.940 3.749 3.530 3.944 0.004 1 0 "[ . 1 . 2]" 1
285 1 21 ALA MB 1 24 GLN HB2 . . 3.820 3.808 3.744 3.841 0.021 17 0 "[ . 1 . 2]" 1
286 1 21 ALA MB 1 24 GLN HE22 . . 5.130 3.743 3.457 4.804 . 0 0 "[ . 1 . 2]" 1
287 1 21 ALA MB 1 24 GLN HG3 . . 3.170 2.338 2.221 2.491 . 0 0 "[ . 1 . 2]" 1
288 1 22 LEU H 1 22 LEU HB2 . . 3.540 1.999 1.980 2.036 . 0 0 "[ . 1 . 2]" 1
289 1 22 LEU H 1 22 LEU HB3 . . 3.550 3.076 3.031 3.129 . 0 0 "[ . 1 . 2]" 1
290 1 22 LEU H 1 22 LEU MD1 . . 4.520 4.140 4.073 4.214 . 0 0 "[ . 1 . 2]" 1
291 1 22 LEU H 1 22 LEU MD2 . . 4.380 4.090 4.057 4.131 . 0 0 "[ . 1 . 2]" 1
292 1 22 LEU H 1 22 LEU HG . . 4.850 3.747 3.643 3.853 . 0 0 "[ . 1 . 2]" 1
293 1 22 LEU H 1 23 ASN H . . 3.980 2.644 2.562 2.709 . 0 0 "[ . 1 . 2]" 1
294 1 22 LEU H 1 24 GLN H . . 5.410 4.470 4.332 4.589 . 0 0 "[ . 1 . 2]" 1
295 1 22 LEU HA 1 22 LEU MD1 . . 4.240 3.771 3.763 3.775 . 0 0 "[ . 1 . 2]" 1
296 1 22 LEU HA 1 22 LEU MD2 . . 2.930 2.095 2.019 2.203 . 0 0 "[ . 1 . 2]" 1
297 1 22 LEU HA 1 22 LEU HG . . 3.860 2.644 2.583 2.713 . 0 0 "[ . 1 . 2]" 1
298 1 22 LEU HA 1 24 GLN H . . 5.110 3.369 3.319 3.425 . 0 0 "[ . 1 . 2]" 1
299 1 22 LEU HA 1 25 ILE H . . 4.590 3.743 3.689 3.810 . 0 0 "[ . 1 . 2]" 1
300 1 22 LEU HA 1 25 ILE MD . . 3.730 3.471 3.368 3.613 . 0 0 "[ . 1 . 2]" 1
301 1 22 LEU HA 1 25 ILE HG12 . . 3.760 2.825 2.789 2.856 . 0 0 "[ . 1 . 2]" 1
302 1 22 LEU HA 1 25 ILE HG13 . . 4.140 4.152 4.142 4.167 0.027 6 0 "[ . 1 . 2]" 1
303 1 22 LEU HA 1 25 ILE MG . . 4.280 4.280 4.231 4.301 0.021 18 0 "[ . 1 . 2]" 1
304 1 22 LEU HA 1 26 GLY H . . 5.210 4.152 3.780 4.561 . 0 0 "[ . 1 . 2]" 1
305 1 22 LEU HA 1 28 ILE MD . . 4.630 4.040 3.710 4.383 . 0 0 "[ . 1 . 2]" 1
306 1 22 LEU HA 1 50 ALA MB . . 5.040 4.159 4.021 4.324 . 0 0 "[ . 1 . 2]" 1
307 1 22 LEU HB2 1 22 LEU MD1 . . 3.090 2.447 2.329 2.532 . 0 0 "[ . 1 . 2]" 1
308 1 22 LEU HB2 1 23 ASN H . . 4.310 3.768 3.681 3.895 . 0 0 "[ . 1 . 2]" 1
309 1 22 LEU HB2 1 28 ILE MD . . 4.100 3.572 3.300 3.893 . 0 0 "[ . 1 . 2]" 1
310 1 22 LEU HB3 1 22 LEU MD1 . . 3.120 2.246 2.142 2.353 . 0 0 "[ . 1 . 2]" 1
311 1 22 LEU HB3 1 22 LEU MD2 . . 3.410 2.487 2.439 2.548 . 0 0 "[ . 1 . 2]" 1
312 1 22 LEU HB3 1 23 ASN H . . 3.820 3.519 3.410 3.665 . 0 0 "[ . 1 . 2]" 1
313 1 22 LEU MD1 1 54 ILE H . . 4.540 3.818 3.511 4.137 . 0 0 "[ . 1 . 2]" 1
314 1 22 LEU MD1 1 54 ILE HA . . 4.630 4.106 3.848 4.509 . 0 0 "[ . 1 . 2]" 1
315 1 22 LEU MD2 1 23 ASN H . . 4.410 4.398 4.373 4.415 0.005 10 0 "[ . 1 . 2]" 1
316 1 22 LEU MD2 1 25 ILE H . . 4.770 4.296 4.215 4.385 . 0 0 "[ . 1 . 2]" 1
317 1 22 LEU MD2 1 25 ILE HG13 . . 3.780 3.167 3.110 3.231 . 0 0 "[ . 1 . 2]" 1
318 1 22 LEU MD2 1 25 ILE MG . . 4.420 4.394 4.299 4.435 0.015 16 0 "[ . 1 . 2]" 1
319 1 22 LEU MD2 1 26 GLY H . . 4.340 3.689 3.242 4.093 . 0 0 "[ . 1 . 2]" 1
320 1 22 LEU MD2 1 26 GLY HA3 . . 4.270 3.866 3.427 4.262 . 0 0 "[ . 1 . 2]" 1
321 1 22 LEU MD2 1 50 ALA HA . . 3.840 3.129 2.814 3.414 . 0 0 "[ . 1 . 2]" 1
322 1 22 LEU MD2 1 50 ALA MB . . 2.670 1.851 1.762 2.056 . 0 0 "[ . 1 . 2]" 1
323 1 23 ASN H 1 23 ASN HB2 . . 3.930 3.615 3.555 3.658 . 0 0 "[ . 1 . 2]" 1
324 1 23 ASN H 1 23 ASN HB3 . . 3.600 2.812 2.657 3.129 . 0 0 "[ . 1 . 2]" 1
325 1 23 ASN H 1 23 ASN HD21 . . 4.730 3.674 2.506 4.330 . 0 0 "[ . 1 . 2]" 1
326 1 23 ASN H 1 23 ASN HD22 . . 5.090 3.871 3.324 4.356 . 0 0 "[ . 1 . 2]" 1
327 1 23 ASN H 1 24 GLN H . . 3.630 2.831 2.622 2.961 . 0 0 "[ . 1 . 2]" 1
328 1 23 ASN H 1 24 GLN HB2 . . 4.850 4.647 4.552 4.756 . 0 0 "[ . 1 . 2]" 1
329 1 23 ASN H 1 24 GLN HG2 . . 4.540 2.975 2.837 3.079 . 0 0 "[ . 1 . 2]" 1
330 1 23 ASN H 1 25 ILE H . . 4.900 4.707 4.552 4.813 . 0 0 "[ . 1 . 2]" 1
331 1 23 ASN H 1 28 ILE MD . . 3.920 3.206 2.871 3.534 . 0 0 "[ . 1 . 2]" 1
332 1 23 ASN HA 1 25 ILE H . . 4.860 4.864 4.822 4.883 0.023 10 0 "[ . 1 . 2]" 1
333 1 23 ASN HA 1 26 GLY H . . 4.220 3.891 3.716 4.130 . 0 0 "[ . 1 . 2]" 1
334 1 23 ASN HA 1 28 ILE MD . . 3.580 2.151 1.974 2.452 . 0 0 "[ . 1 . 2]" 1
335 1 23 ASN HA 1 28 ILE HG12 . . 4.910 4.721 4.448 4.913 0.003 6 0 "[ . 1 . 2]" 1
336 1 23 ASN HB2 1 24 GLN H . . 5.290 4.536 4.421 4.588 . 0 0 "[ . 1 . 2]" 1
337 1 23 ASN HB2 1 28 ILE MD . . 3.830 3.249 2.843 3.691 . 0 0 "[ . 1 . 2]" 1
338 1 23 ASN HB3 1 24 GLN H . . 5.060 4.647 4.544 4.716 . 0 0 "[ . 1 . 2]" 1
339 1 23 ASN HB3 1 28 ILE MD . . 3.560 2.268 1.941 2.476 . 0 0 "[ . 1 . 2]" 1
340 1 23 ASN HD21 1 28 ILE MD . . 5.410 4.157 3.518 5.221 . 0 0 "[ . 1 . 2]" 1
341 1 24 GLN H 1 24 GLN HB2 . . 3.240 2.752 2.682 2.822 . 0 0 "[ . 1 . 2]" 1
342 1 24 GLN H 1 24 GLN HG2 . . 3.540 2.735 2.597 2.844 . 0 0 "[ . 1 . 2]" 1
343 1 24 GLN H 1 25 ILE H . . 3.350 2.111 2.079 2.163 . 0 0 "[ . 1 . 2]" 1
344 1 24 GLN H 1 25 ILE HG12 . . 4.710 3.343 3.218 3.472 . 0 0 "[ . 1 . 2]" 1
345 1 24 GLN H 1 25 ILE HG13 . . 5.190 4.565 4.430 4.676 . 0 0 "[ . 1 . 2]" 1
346 1 24 GLN H 1 25 ILE MG . . 4.780 3.832 3.793 3.859 . 0 0 "[ . 1 . 2]" 1
347 1 24 GLN H 1 26 GLY H . . 4.350 2.763 2.567 2.950 . 0 0 "[ . 1 . 2]" 1
348 1 24 GLN H 1 28 ILE MD . . 4.460 4.267 4.028 4.468 0.008 12 0 "[ . 1 . 2]" 1
349 1 24 GLN HA 1 24 GLN HG2 . . 3.390 3.151 3.063 3.238 . 0 0 "[ . 1 . 2]" 1
350 1 24 GLN HB2 1 25 ILE H . . 4.180 2.359 2.334 2.381 . 0 0 "[ . 1 . 2]" 1
351 1 24 GLN HB2 1 25 ILE MD . . 4.930 4.943 4.886 4.969 0.039 6 0 "[ . 1 . 2]" 1
352 1 24 GLN HB2 1 25 ILE MG . . 3.670 2.672 2.609 2.737 . 0 0 "[ . 1 . 2]" 1
353 1 24 GLN HB2 1 26 GLY H . . 5.370 4.566 4.462 4.736 . 0 0 "[ . 1 . 2]" 1
354 1 24 GLN HG2 1 25 ILE H . . 4.770 3.986 3.936 4.038 . 0 0 "[ . 1 . 2]" 1
355 1 24 GLN HG2 1 25 ILE MG . . 4.740 4.751 4.719 4.777 0.037 15 0 "[ . 1 . 2]" 1
356 1 25 ILE H 1 25 ILE MD . . 4.180 3.580 3.539 3.632 . 0 0 "[ . 1 . 2]" 1
357 1 25 ILE H 1 25 ILE HG12 . . 3.670 2.078 2.021 2.126 . 0 0 "[ . 1 . 2]" 1
358 1 25 ILE H 1 25 ILE HG13 . . 3.910 3.256 3.211 3.292 . 0 0 "[ . 1 . 2]" 1
359 1 25 ILE H 1 25 ILE MG . . 3.650 2.072 2.044 2.113 . 0 0 "[ . 1 . 2]" 1
360 1 25 ILE H 1 26 GLY H . . 3.220 2.477 2.422 2.559 . 0 0 "[ . 1 . 2]" 1
361 1 25 ILE HA 1 25 ILE MD . . 4.160 4.133 4.126 4.138 . 0 0 "[ . 1 . 2]" 1
362 1 25 ILE HA 1 25 ILE MG . . 3.080 2.424 2.387 2.463 . 0 0 "[ . 1 . 2]" 1
363 1 25 ILE HA 1 40 MET ME . . 4.440 4.142 3.960 4.369 . 0 0 "[ . 1 . 2]" 1
364 1 25 ILE HA 1 43 PHE HD1 . . 3.690 2.982 2.526 3.490 . 0 0 "[ . 1 . 2]" 1
365 1 25 ILE HA 1 43 PHE HE1 . . 4.140 3.165 2.821 3.556 . 0 0 "[ . 1 . 2]" 1
366 1 25 ILE HA 1 43 PHE HZ . . 5.290 3.777 3.420 4.091 . 0 0 "[ . 1 . 2]" 1
367 1 25 ILE HB 1 25 ILE MD . . 3.190 2.309 2.285 2.335 . 0 0 "[ . 1 . 2]" 1
368 1 25 ILE HB 1 26 GLY H . . 4.710 4.085 3.849 4.242 . 0 0 "[ . 1 . 2]" 1
369 1 25 ILE HB 1 40 MET ME . . 3.780 2.431 2.353 2.574 . 0 0 "[ . 1 . 2]" 1
370 1 25 ILE HB 1 43 PHE HB2 . . 4.200 2.789 2.446 3.056 . 0 0 "[ . 1 . 2]" 1
371 1 25 ILE HB 1 43 PHE HB3 . . 4.000 2.724 2.558 2.821 . 0 0 "[ . 1 . 2]" 1
372 1 25 ILE HB 1 43 PHE HD2 . . 4.090 3.353 2.792 3.700 . 0 0 "[ . 1 . 2]" 1
373 1 25 ILE HB 1 43 PHE HE2 . . 5.240 4.678 4.024 5.055 . 0 0 "[ . 1 . 2]" 1
374 1 25 ILE HB 1 46 CYS HB3 . . 5.090 3.029 2.624 3.449 . 0 0 "[ . 1 . 2]" 1
375 1 25 ILE MD 1 25 ILE MG . . 2.900 1.910 1.890 2.000 . 0 0 "[ . 1 . 2]" 1
376 1 25 ILE MD 1 26 GLY H . . 4.630 4.123 3.791 4.396 . 0 0 "[ . 1 . 2]" 1
377 1 25 ILE MD 1 40 MET ME . . 2.840 2.143 1.935 2.257 . 0 0 "[ . 1 . 2]" 1
378 1 25 ILE MD 1 43 PHE HB2 . . 4.610 4.140 3.857 4.409 . 0 0 "[ . 1 . 2]" 1
379 1 25 ILE MD 1 43 PHE HB3 . . 4.570 3.778 3.471 4.040 . 0 0 "[ . 1 . 2]" 1
380 1 25 ILE MD 1 43 PHE HD2 . . 4.830 4.534 3.807 4.835 0.005 19 0 "[ . 1 . 2]" 1
381 1 25 ILE MD 1 46 CYS H . . 4.850 4.859 4.815 4.873 0.023 18 0 "[ . 1 . 2]" 1
382 1 25 ILE MD 1 46 CYS HB2 . . 3.660 3.486 3.393 3.581 . 0 0 "[ . 1 . 2]" 1
383 1 25 ILE MD 1 46 CYS HB3 . . 3.440 2.093 1.981 2.200 . 0 0 "[ . 1 . 2]" 1
384 1 25 ILE MD 1 50 ALA H . . 4.950 2.909 2.664 3.128 . 0 0 "[ . 1 . 2]" 1
385 1 25 ILE MD 1 50 ALA HA . . 4.290 2.903 2.612 3.203 . 0 0 "[ . 1 . 2]" 1
386 1 25 ILE HG12 1 25 ILE MG . . 3.240 2.517 2.476 2.532 . 0 0 "[ . 1 . 2]" 1
387 1 25 ILE HG12 1 26 GLY H . . 4.260 2.686 2.327 2.984 . 0 0 "[ . 1 . 2]" 1
388 1 25 ILE HG12 1 40 MET ME . . 3.750 3.742 3.674 3.764 0.014 20 0 "[ . 1 . 2]" 1
389 1 25 ILE HG13 1 25 ILE MG . . 3.560 3.237 3.231 3.241 . 0 0 "[ . 1 . 2]" 1
390 1 25 ILE HG13 1 26 GLY H . . 4.060 2.697 2.269 3.029 . 0 0 "[ . 1 . 2]" 1
391 1 25 ILE MG 1 26 GLY H . . 4.520 3.954 3.846 4.067 . 0 0 "[ . 1 . 2]" 1
392 1 25 ILE MG 1 40 MET ME . . 3.700 3.691 3.616 3.716 0.016 13 0 "[ . 1 . 2]" 1
393 1 25 ILE MG 1 43 PHE HB2 . . 4.540 4.257 3.961 4.466 . 0 0 "[ . 1 . 2]" 1
394 1 25 ILE MG 1 43 PHE HB3 . . 4.460 3.887 3.689 4.025 . 0 0 "[ . 1 . 2]" 1
395 1 25 ILE MG 1 43 PHE HD2 . . 3.840 3.222 2.798 3.549 . 0 0 "[ . 1 . 2]" 1
396 1 25 ILE MG 1 43 PHE HE2 . . 4.550 3.320 2.498 3.723 . 0 0 "[ . 1 . 2]" 1
397 1 25 ILE MG 1 43 PHE HZ . . 4.980 4.121 3.429 4.571 . 0 0 "[ . 1 . 2]" 1
398 1 25 ILE MG 1 46 CYS HB2 . . 5.040 3.885 3.691 4.105 . 0 0 "[ . 1 . 2]" 1
399 1 25 ILE MG 1 46 CYS HB3 . . 5.050 3.330 3.110 3.574 . 0 0 "[ . 1 . 2]" 1
400 1 26 GLY HA2 1 27 GLN H . . 3.370 2.392 2.282 2.589 . 0 0 "[ . 1 . 2]" 1
401 1 26 GLY HA2 1 38 VAL MG1 . . 4.110 3.326 2.943 3.938 . 0 0 "[ . 1 . 2]" 1
402 1 26 GLY HA3 1 27 GLN H . . 3.610 2.886 2.651 3.045 . 0 0 "[ . 1 . 2]" 1
403 1 26 GLY HA3 1 38 VAL MG1 . . 3.500 2.082 1.858 2.571 . 0 0 "[ . 1 . 2]" 1
404 1 26 GLY HA3 1 40 MET ME . . 4.780 3.927 3.830 4.060 . 0 0 "[ . 1 . 2]" 1
405 1 27 GLN H 1 27 GLN HB2 . . 3.610 2.225 2.149 2.334 . 0 0 "[ . 1 . 2]" 1
406 1 27 GLN H 1 27 GLN HB3 . . 3.840 3.248 3.092 3.404 . 0 0 "[ . 1 . 2]" 1
407 1 27 GLN H 1 27 GLN HG2 . . 4.370 4.152 3.711 4.517 0.147 12 0 "[ . 1 . 2]" 1
408 1 27 GLN H 1 27 GLN HG3 . . 4.560 4.021 3.562 4.472 . 0 0 "[ . 1 . 2]" 1
409 1 27 GLN H 1 28 ILE HG13 . . 5.020 4.965 4.822 5.039 0.019 19 0 "[ . 1 . 2]" 1
410 1 27 GLN H 1 38 VAL HA . . 4.700 3.929 3.725 4.267 . 0 0 "[ . 1 . 2]" 1
411 1 27 GLN H 1 38 VAL MG1 . . 4.260 2.993 2.570 3.379 . 0 0 "[ . 1 . 2]" 1
412 1 27 GLN H 1 39 ASN H . . 3.820 2.683 2.270 3.017 . 0 0 "[ . 1 . 2]" 1
413 1 27 GLN H 1 39 ASN HB2 . . 4.650 4.087 3.805 4.322 . 0 0 "[ . 1 . 2]" 1
414 1 27 GLN H 1 39 ASN HB3 . . 4.270 2.752 2.417 2.989 . 0 0 "[ . 1 . 2]" 1
415 1 27 GLN HA 1 28 ILE H . . 3.540 2.206 2.202 2.217 . 0 0 "[ . 1 . 2]" 1
416 1 27 GLN HB2 1 39 ASN H . . 4.310 3.626 3.373 4.087 . 0 0 "[ . 1 . 2]" 1
417 1 27 GLN HB2 1 39 ASN HB2 . . 4.040 3.963 3.575 4.278 0.238 15 0 "[ . 1 . 2]" 1
418 1 27 GLN HB2 1 39 ASN HB3 . . 3.700 2.619 2.374 2.988 . 0 0 "[ . 1 . 2]" 1
419 1 27 GLN HB3 1 28 ILE H . . 4.900 3.873 3.699 4.096 . 0 0 "[ . 1 . 2]" 1
420 1 27 GLN HB3 1 39 ASN H . . 4.640 3.676 3.269 3.917 . 0 0 "[ . 1 . 2]" 1
421 1 27 GLN HB3 1 39 ASN HB2 . . 4.270 4.157 3.896 4.278 0.008 16 0 "[ . 1 . 2]" 1
422 1 27 GLN HB3 1 39 ASN HB3 . . 3.810 3.446 2.977 3.816 0.006 5 0 "[ . 1 . 2]" 1
423 1 27 GLN HG2 1 28 ILE H . . 5.180 3.788 3.193 5.192 0.012 8 0 "[ . 1 . 2]" 1
424 1 27 GLN HG2 1 39 ASN HB3 . . 5.190 5.412 4.853 5.906 0.716 5 1 "[ + 1 . 2]" 1
425 1 28 ILE H 1 28 ILE HB . . 3.770 2.300 2.221 2.396 . 0 0 "[ . 1 . 2]" 1
426 1 28 ILE H 1 28 ILE HG12 . . 4.240 3.969 3.896 4.099 . 0 0 "[ . 1 . 2]" 1
427 1 28 ILE H 1 28 ILE HG13 . . 4.240 2.643 2.517 2.833 . 0 0 "[ . 1 . 2]" 1
428 1 28 ILE HA 1 28 ILE MD . . 4.210 3.794 3.724 3.847 . 0 0 "[ . 1 . 2]" 1
429 1 28 ILE HA 1 28 ILE HG12 . . 4.250 2.888 2.700 3.180 . 0 0 "[ . 1 . 2]" 1
430 1 28 ILE HA 1 28 ILE HG13 . . 4.220 2.480 2.362 2.611 . 0 0 "[ . 1 . 2]" 1
431 1 28 ILE HA 1 28 ILE MG . . 3.430 2.451 2.339 2.524 . 0 0 "[ . 1 . 2]" 1
432 1 28 ILE HA 1 29 SER H . . 3.060 2.190 2.176 2.222 . 0 0 "[ . 1 . 2]" 1
433 1 28 ILE HA 1 29 SER HB2 . . 4.800 4.424 4.188 4.632 . 0 0 "[ . 1 . 2]" 1
434 1 28 ILE HA 1 38 VAL HA . . 4.110 2.494 2.285 2.626 . 0 0 "[ . 1 . 2]" 1
435 1 28 ILE HA 1 38 VAL MG1 . . 4.230 3.367 3.041 3.826 . 0 0 "[ . 1 . 2]" 1
436 1 28 ILE HA 1 38 VAL MG2 . . 4.060 2.377 2.072 2.728 . 0 0 "[ . 1 . 2]" 1
437 1 28 ILE HA 1 39 ASN H . . 4.150 4.069 3.838 4.162 0.012 5 0 "[ . 1 . 2]" 1
438 1 28 ILE HB 1 28 ILE MD . . 3.090 2.024 1.959 2.174 . 0 0 "[ . 1 . 2]" 1
439 1 28 ILE MD 1 38 VAL HA . . 5.100 5.082 4.949 5.121 0.021 15 0 "[ . 1 . 2]" 1
440 1 28 ILE HG12 1 28 ILE MG . . 3.330 2.188 2.003 2.301 . 0 0 "[ . 1 . 2]" 1
441 1 28 ILE HG12 1 29 SER H . . 4.800 4.598 4.405 4.807 0.007 20 0 "[ . 1 . 2]" 1
442 1 28 ILE HG12 1 38 VAL HA . . 4.700 4.290 4.054 4.691 . 0 0 "[ . 1 . 2]" 1
443 1 28 ILE HG12 1 38 VAL MG2 . . 3.500 2.042 1.818 2.349 . 0 0 "[ . 1 . 2]" 1
444 1 28 ILE HG13 1 38 VAL HA . . 4.030 3.606 3.434 3.679 . 0 0 "[ . 1 . 2]" 1
445 1 28 ILE MG 1 29 SER H . . 3.350 2.668 2.365 3.078 . 0 0 "[ . 1 . 2]" 1
446 1 28 ILE MG 1 30 MET HG2 . . 5.050 4.649 4.370 4.907 . 0 0 "[ . 1 . 2]" 1
447 1 28 ILE MG 1 30 MET HG3 . . 4.890 4.163 3.506 4.441 . 0 0 "[ . 1 . 2]" 1
448 1 28 ILE MG 1 36 ILE HA . . 4.550 4.160 3.852 4.423 . 0 0 "[ . 1 . 2]" 1
449 1 28 ILE MG 1 37 LEU H . . 4.470 3.876 3.454 4.367 . 0 0 "[ . 1 . 2]" 1
450 1 28 ILE MG 1 38 VAL HA . . 4.440 4.361 4.135 4.453 0.013 18 0 "[ . 1 . 2]" 1
451 1 29 SER H 1 29 SER HB2 . . 3.960 3.182 2.816 3.430 . 0 0 "[ . 1 . 2]" 1
452 1 29 SER H 1 36 ILE HA . . 4.890 4.656 4.408 4.903 0.013 15 0 "[ . 1 . 2]" 1
453 1 29 SER H 1 36 ILE MG . . 4.260 3.123 2.758 3.692 . 0 0 "[ . 1 . 2]" 1
454 1 29 SER H 1 37 LEU H . . 4.010 3.055 2.791 3.551 . 0 0 "[ . 1 . 2]" 1
455 1 29 SER H 1 37 LEU HB2 . . 4.160 3.731 3.150 4.048 . 0 0 "[ . 1 . 2]" 1
456 1 29 SER H 1 37 LEU HB3 . . 5.060 4.459 3.748 4.973 . 0 0 "[ . 1 . 2]" 1
457 1 29 SER H 1 38 VAL HA . . 4.370 3.504 3.021 3.837 . 0 0 "[ . 1 . 2]" 1
458 1 29 SER H 1 38 VAL MG2 . . 4.370 3.527 3.196 3.845 . 0 0 "[ . 1 . 2]" 1
459 1 29 SER HB3 1 37 LEU H . . 4.970 4.419 4.173 4.589 . 0 0 "[ . 1 . 2]" 1
460 1 29 SER HB3 1 37 LEU HB2 . . 4.090 3.481 2.925 3.837 . 0 0 "[ . 1 . 2]" 1
461 1 29 SER HB3 1 37 LEU HB3 . . 4.620 4.256 3.539 4.636 0.016 8 0 "[ . 1 . 2]" 1
462 1 29 SER HB3 1 37 LEU QD . . 4.710 4.288 3.639 4.587 . 0 0 "[ . 1 . 2]" 1
463 1 30 MET HA 1 30 MET ME . . 4.330 3.703 3.452 4.038 . 0 0 "[ . 1 . 2]" 1
464 1 30 MET HA 1 32 SER H . . 5.040 3.787 3.192 4.586 . 0 0 "[ . 1 . 2]" 1
465 1 30 MET HA 1 36 ILE HA . . 4.780 2.502 1.972 2.805 . 0 0 "[ . 1 . 2]" 1
466 1 30 MET HA 1 36 ILE MG . . 4.200 3.663 3.026 4.151 . 0 0 "[ . 1 . 2]" 1
467 1 30 MET HA 1 37 LEU H . . 4.080 2.991 2.292 3.397 . 0 0 "[ . 1 . 2]" 1
468 1 30 MET HB3 1 30 MET HG3 . . 2.950 2.942 2.876 3.019 0.069 9 0 "[ . 1 . 2]" 1
469 1 30 MET ME 1 30 MET HG2 . . 3.530 2.088 2.005 2.345 . 0 0 "[ . 1 . 2]" 1
470 1 30 MET ME 1 30 MET HG3 . . 3.690 2.829 2.632 2.918 . 0 0 "[ . 1 . 2]" 1
471 1 30 MET ME 1 35 VAL H . . 4.140 2.458 2.135 3.378 . 0 0 "[ . 1 . 2]" 1
472 1 30 MET ME 1 35 VAL HA . . 4.060 3.897 3.363 4.063 0.003 17 0 "[ . 1 . 2]" 1
473 1 30 MET ME 1 36 ILE H . . 4.790 3.904 3.615 4.283 . 0 0 "[ . 1 . 2]" 1
474 1 30 MET ME 1 36 ILE HA . . 3.860 3.452 3.158 3.829 . 0 0 "[ . 1 . 2]" 1
475 1 30 MET ME 1 36 ILE MD . . 2.950 2.780 2.514 2.961 0.011 14 0 "[ . 1 . 2]" 1
476 1 30 MET ME 1 36 ILE HG12 . . 3.480 3.396 2.629 3.497 0.017 12 0 "[ . 1 . 2]" 1
477 1 30 MET ME 1 36 ILE HG13 . . 3.910 2.124 1.976 2.363 . 0 0 "[ . 1 . 2]" 1
478 1 30 MET ME 1 74 ILE MD . . 3.620 3.167 2.894 3.639 0.019 16 0 "[ . 1 . 2]" 1
479 1 30 MET ME 1 74 ILE HG12 . . 4.610 3.592 3.268 4.668 0.058 15 0 "[ . 1 . 2]" 1
480 1 30 MET ME 1 74 ILE MG . . 4.130 4.050 3.348 4.173 0.043 20 0 "[ . 1 . 2]" 1
481 1 30 MET HG2 1 36 ILE HA . . 4.950 2.638 2.192 2.879 . 0 0 "[ . 1 . 2]" 1
482 1 30 MET HG2 1 36 ILE HG12 . . 5.080 2.950 1.994 3.413 . 0 0 "[ . 1 . 2]" 1
483 1 30 MET HG2 1 36 ILE MG . . 4.210 3.833 3.365 4.164 . 0 0 "[ . 1 . 2]" 1
484 1 30 MET HG3 1 36 ILE HA . . 4.310 3.882 3.269 4.314 0.004 2 0 "[ . 1 . 2]" 1
485 1 30 MET HG3 1 36 ILE HG12 . . 4.810 2.716 2.006 3.227 . 0 0 "[ . 1 . 2]" 1
486 1 31 LYS H 1 37 LEU QD . . 5.180 3.350 2.842 3.938 . 0 0 "[ . 1 . 2]" 1
487 1 31 LYS HA 1 31 LYS HD2 . . 4.430 3.751 2.624 4.422 . 0 0 "[ . 1 . 2]" 1
488 1 31 LYS HA 1 31 LYS HD3 . . 4.600 2.843 2.020 4.605 0.005 4 0 "[ . 1 . 2]" 1
489 1 31 LYS HA 1 31 LYS QE . . 4.660 3.639 2.235 4.224 . 0 0 "[ . 1 . 2]" 1
490 1 31 LYS HA 1 31 LYS HG3 . . 3.740 2.817 2.397 3.081 . 0 0 "[ . 1 . 2]" 1
491 1 31 LYS HA 1 37 LEU QD . . 4.660 4.340 3.751 4.627 . 0 0 "[ . 1 . 2]" 1
492 1 31 LYS HB3 1 32 SER H . . 4.520 2.723 2.194 3.233 . 0 0 "[ . 1 . 2]" 1
493 1 31 LYS HB3 1 37 LEU QD . . 3.880 2.125 1.954 2.563 . 0 0 "[ . 1 . 2]" 1
494 1 31 LYS QE 1 31 LYS HG2 . . 3.480 2.555 2.105 3.581 0.101 4 0 "[ . 1 . 2]" 1
495 1 31 LYS QE 1 37 LEU QD . . 3.960 3.292 1.935 3.824 . 0 0 "[ . 1 . 2]" 1
496 1 31 LYS HG3 1 32 SER H . . 5.350 3.719 2.953 4.558 . 0 0 "[ . 1 . 2]" 1
497 1 31 LYS HG3 1 32 SER QB . . 5.190 4.599 3.356 5.695 0.505 4 1 "[ +. 1 . 2]" 1
498 1 32 SER H 1 35 VAL H . . 4.250 3.891 3.480 4.214 . 0 0 "[ . 1 . 2]" 1
499 1 32 SER H 1 35 VAL HB . . 4.760 3.779 2.359 4.869 0.109 20 0 "[ . 1 . 2]" 1
500 1 32 SER HA 1 33 PRO HD2 . . 3.330 3.034 2.785 3.150 . 0 0 "[ . 1 . 2]" 1
501 1 32 SER HA 1 33 PRO HD3 . . 3.630 2.233 2.050 2.329 . 0 0 "[ . 1 . 2]" 1
502 1 32 SER QB 1 33 PRO HD2 . . 3.620 1.965 1.826 2.595 . 0 0 "[ . 1 . 2]" 1
503 1 32 SER QB 1 33 PRO HD3 . . 3.430 2.605 2.391 3.463 0.033 16 0 "[ . 1 . 2]" 1
504 1 32 SER QB 1 34 GLN H . . 5.420 2.976 2.067 3.209 . 0 0 "[ . 1 . 2]" 1
505 1 32 SER QB 1 35 VAL H . . 4.960 2.685 1.935 3.879 . 0 0 "[ . 1 . 2]" 1
506 1 32 SER QB 1 35 VAL HB . . 4.760 2.145 1.873 3.968 . 0 0 "[ . 1 . 2]" 1
507 1 32 SER QB 1 35 VAL QG . . 4.440 2.592 1.717 2.875 . 0 0 "[ . 1 . 2]" 1
508 1 33 PRO HB2 1 34 GLN H . . 4.650 3.444 2.759 4.454 . 0 0 "[ . 1 . 2]" 1
509 1 33 PRO HB3 1 34 GLN H . . 4.690 4.273 3.913 4.721 0.031 15 0 "[ . 1 . 2]" 1
510 1 33 PRO HD2 1 34 GLN H . . 5.410 2.753 2.286 4.196 . 0 0 "[ . 1 . 2]" 1
511 1 33 PRO HD3 1 34 GLN H . . 5.360 3.934 3.700 4.739 . 0 0 "[ . 1 . 2]" 1
512 1 34 GLN H 1 34 GLN HB3 . . 4.190 3.649 3.214 3.865 . 0 0 "[ . 1 . 2]" 1
513 1 34 GLN H 1 34 GLN QG . . 4.450 3.697 3.405 4.103 . 0 0 "[ . 1 . 2]" 1
514 1 34 GLN H 1 35 VAL H . . 3.560 2.470 1.955 2.777 . 0 0 "[ . 1 . 2]" 1
515 1 34 GLN H 1 35 VAL QG . . 5.200 3.208 2.822 4.086 . 0 0 "[ . 1 . 2]" 1
516 1 34 GLN HA 1 34 GLN QG . . 3.590 2.190 2.031 2.598 . 0 0 "[ . 1 . 2]" 1
517 1 34 GLN HA 1 74 ILE HB . . 3.640 2.856 1.987 3.586 . 0 0 "[ . 1 . 2]" 1
518 1 34 GLN HB2 1 35 VAL H . . 4.940 4.274 3.190 4.495 . 0 0 "[ . 1 . 2]" 1
519 1 34 GLN HB2 1 35 VAL QG . . 3.940 3.672 3.370 4.119 0.179 20 0 "[ . 1 . 2]" 1
520 1 34 GLN HB2 1 74 ILE H . . 5.060 4.099 3.788 5.010 . 0 0 "[ . 1 . 2]" 1
521 1 34 GLN HB2 1 74 ILE HB . . 4.930 3.832 3.481 4.904 . 0 0 "[ . 1 . 2]" 1
522 1 34 GLN HB3 1 35 VAL QG . . 4.040 3.477 2.663 3.956 . 0 0 "[ . 1 . 2]" 1
523 1 34 GLN HB3 1 74 ILE H . . 4.780 2.595 2.256 4.451 . 0 0 "[ . 1 . 2]" 1
524 1 34 GLN QG 1 35 VAL H . . 5.050 4.486 3.385 4.616 . 0 0 "[ . 1 . 2]" 1
525 1 34 GLN QG 1 74 ILE HB . . 5.050 2.061 1.904 2.840 . 0 0 "[ . 1 . 2]" 1
526 1 34 GLN QG 1 74 ILE MD . . 4.350 4.113 3.908 4.271 . 0 0 "[ . 1 . 2]" 1
527 1 35 VAL H 1 35 VAL HB . . 3.700 2.827 2.306 3.644 . 0 0 "[ . 1 . 2]" 1
528 1 35 VAL H 1 35 VAL QG . . 3.800 2.919 1.879 3.183 . 0 0 "[ . 1 . 2]" 1
529 1 35 VAL H 1 36 ILE H . . 5.310 4.110 3.850 4.609 . 0 0 "[ . 1 . 2]" 1
530 1 35 VAL H 1 73 PRO HA . . 4.720 4.659 4.357 4.799 0.079 14 0 "[ . 1 . 2]" 1
531 1 35 VAL H 1 74 ILE HG13 . . 5.290 4.247 3.725 5.495 0.205 16 0 "[ . 1 . 2]" 1
532 1 35 VAL HA 1 36 ILE H . . 3.090 2.204 2.181 2.378 . 0 0 "[ . 1 . 2]" 1
533 1 35 VAL HA 1 72 VAL H . . 4.470 3.882 3.421 4.190 . 0 0 "[ . 1 . 2]" 1
534 1 35 VAL HA 1 73 PRO HA . . 4.940 2.325 2.051 2.641 . 0 0 "[ . 1 . 2]" 1
535 1 35 VAL HB 1 36 ILE H . . 4.700 4.306 2.807 4.614 . 0 0 "[ . 1 . 2]" 1
536 1 35 VAL QG 1 36 ILE H . . 3.580 2.896 2.612 3.240 . 0 0 "[ . 1 . 2]" 1
537 1 35 VAL QG 1 37 LEU H . . 4.570 4.244 3.594 4.523 . 0 0 "[ . 1 . 2]" 1
538 1 35 VAL QG 1 37 LEU HA . . 4.900 4.042 3.752 4.193 . 0 0 "[ . 1 . 2]" 1
539 1 35 VAL QG 1 37 LEU HG . . 3.280 2.799 2.311 3.266 . 0 0 "[ . 1 . 2]" 1
540 1 35 VAL QG 1 71 ARG HA . . 4.040 3.082 2.728 3.588 . 0 0 "[ . 1 . 2]" 1
541 1 35 VAL QG 1 71 ARG QB . . 4.050 3.185 2.793 3.543 . 0 0 "[ . 1 . 2]" 1
542 1 35 VAL QG 1 71 ARG QD . . 3.600 2.285 1.756 3.122 . 0 0 "[ . 1 . 2]" 1
543 1 35 VAL QG 1 71 ARG HG2 . . 3.430 1.887 1.753 2.071 . 0 0 "[ . 1 . 2]" 1
544 1 35 VAL QG 1 71 ARG HG3 . . 3.830 2.803 1.839 3.398 . 0 0 "[ . 1 . 2]" 1
545 1 35 VAL QG 1 72 VAL H . . 3.350 2.811 2.357 3.294 . 0 0 "[ . 1 . 2]" 1
546 1 35 VAL QG 1 73 PRO HA . . 3.790 2.026 1.924 2.373 . 0 0 "[ . 1 . 2]" 1
547 1 35 VAL QG 1 73 PRO HB2 . . 3.800 3.473 3.141 3.881 0.081 18 0 "[ . 1 . 2]" 1
548 1 35 VAL QG 1 73 PRO HB3 . . 4.140 2.299 1.960 2.706 . 0 0 "[ . 1 . 2]" 1
549 1 35 VAL QG 1 73 PRO HG3 . . 4.550 3.756 3.249 4.129 . 0 0 "[ . 1 . 2]" 1
550 1 35 VAL QG 1 74 ILE H . . 3.810 3.158 2.634 3.415 . 0 0 "[ . 1 . 2]" 1
551 1 36 ILE H 1 36 ILE HB . . 3.590 2.305 2.201 2.497 . 0 0 "[ . 1 . 2]" 1
552 1 36 ILE H 1 36 ILE MD . . 3.920 2.857 1.986 3.957 0.037 16 0 "[ . 1 . 2]" 1
553 1 36 ILE H 1 36 ILE HG12 . . 4.300 4.225 3.810 4.384 0.084 15 0 "[ . 1 . 2]" 1
554 1 36 ILE H 1 36 ILE HG13 . . 3.890 3.108 2.791 3.258 . 0 0 "[ . 1 . 2]" 1
555 1 36 ILE H 1 36 ILE MG . . 4.230 3.660 3.570 3.769 . 0 0 "[ . 1 . 2]" 1
556 1 36 ILE H 1 37 LEU H . . 5.260 4.496 4.276 4.621 . 0 0 "[ . 1 . 2]" 1
557 1 36 ILE H 1 71 ARG HA . . 4.830 4.547 4.201 4.833 0.003 13 0 "[ . 1 . 2]" 1
558 1 36 ILE H 1 72 VAL H . . 4.250 2.692 2.394 3.068 . 0 0 "[ . 1 . 2]" 1
559 1 36 ILE H 1 72 VAL HB . . 4.200 3.209 2.938 3.629 . 0 0 "[ . 1 . 2]" 1
560 1 36 ILE H 1 73 PRO HA . . 4.440 3.873 3.444 4.171 . 0 0 "[ . 1 . 2]" 1
561 1 36 ILE H 1 74 ILE H . . 4.800 4.720 4.364 4.834 0.034 20 0 "[ . 1 . 2]" 1
562 1 36 ILE H 1 74 ILE MD . . 4.830 4.360 3.723 4.896 0.066 20 0 "[ . 1 . 2]" 1
563 1 36 ILE H 1 74 ILE HG12 . . 5.120 3.918 3.643 4.758 . 0 0 "[ . 1 . 2]" 1
564 1 36 ILE HA 1 36 ILE MD . . 3.610 3.649 3.420 3.724 0.114 18 0 "[ . 1 . 2]" 1
565 1 36 ILE HA 1 36 ILE HG12 . . 3.850 3.036 2.333 3.453 . 0 0 "[ . 1 . 2]" 1
566 1 36 ILE HA 1 36 ILE HG13 . . 4.030 2.321 2.213 2.962 . 0 0 "[ . 1 . 2]" 1
567 1 36 ILE HA 1 36 ILE MG . . 3.310 2.503 2.324 2.626 . 0 0 "[ . 1 . 2]" 1
568 1 36 ILE HA 1 37 LEU H . . 3.130 2.231 2.177 2.361 . 0 0 "[ . 1 . 2]" 1
569 1 36 ILE HB 1 36 ILE MD . . 2.940 2.073 1.936 2.362 . 0 0 "[ . 1 . 2]" 1
570 1 36 ILE HB 1 37 LEU H . . 4.950 4.313 3.906 4.573 . 0 0 "[ . 1 . 2]" 1
571 1 36 ILE HB 1 72 VAL H . . 4.380 3.546 3.119 3.956 . 0 0 "[ . 1 . 2]" 1
572 1 36 ILE HB 1 72 VAL HB . . 3.230 2.484 1.994 2.978 . 0 0 "[ . 1 . 2]" 1
573 1 36 ILE MD 1 72 VAL HB . . 3.840 3.556 2.678 3.864 0.024 14 0 "[ . 1 . 2]" 1
574 1 36 ILE HG12 1 36 ILE MG . . 3.300 2.157 2.024 2.538 . 0 0 "[ . 1 . 2]" 1
575 1 36 ILE HG12 1 37 LEU H . . 5.150 4.560 4.102 5.147 . 0 0 "[ . 1 . 2]" 1
576 1 36 ILE HG13 1 74 ILE MD . . 3.690 3.649 3.374 3.845 0.155 20 0 "[ . 1 . 2]" 1
577 1 36 ILE HG13 1 74 ILE HG13 . . 4.470 4.184 2.852 4.491 0.021 14 0 "[ . 1 . 2]" 1
578 1 36 ILE MG 1 37 LEU H . . 3.360 2.529 2.067 3.146 . 0 0 "[ . 1 . 2]" 1
579 1 36 ILE MG 1 37 LEU HA . . 4.740 3.721 3.427 4.188 . 0 0 "[ . 1 . 2]" 1
580 1 36 ILE MG 1 38 VAL HA . . 4.890 4.238 3.959 4.537 . 0 0 "[ . 1 . 2]" 1
581 1 36 ILE MG 1 72 VAL H . . 4.940 4.084 3.640 4.552 . 0 0 "[ . 1 . 2]" 1
582 1 36 ILE MG 1 72 VAL HB . . 3.860 3.187 2.545 3.882 0.022 6 0 "[ . 1 . 2]" 1
583 1 37 LEU H 1 37 LEU HB2 . . 3.730 2.394 2.074 2.629 . 0 0 "[ . 1 . 2]" 1
584 1 37 LEU H 1 37 LEU HB3 . . 4.170 3.582 3.276 3.749 . 0 0 "[ . 1 . 2]" 1
585 1 37 LEU H 1 37 LEU QD . . 4.360 3.549 3.360 3.680 . 0 0 "[ . 1 . 2]" 1
586 1 37 LEU H 1 37 LEU HG . . 4.000 3.186 2.775 3.557 . 0 0 "[ . 1 . 2]" 1
587 1 37 LEU H 1 38 VAL H . . 4.580 4.428 4.214 4.618 0.038 15 0 "[ . 1 . 2]" 1
588 1 37 LEU HA 1 37 LEU QD . . 3.190 2.025 1.886 2.245 . 0 0 "[ . 1 . 2]" 1
589 1 37 LEU HA 1 38 VAL H . . 3.080 2.210 2.177 2.338 . 0 0 "[ . 1 . 2]" 1
590 1 37 LEU HA 1 38 VAL MG2 . . 4.280 3.544 3.394 3.807 . 0 0 "[ . 1 . 2]" 1
591 1 37 LEU HA 1 70 ILE H . . 5.310 3.917 3.473 4.832 . 0 0 "[ . 1 . 2]" 1
592 1 37 LEU HA 1 71 ARG HA . . 4.210 2.968 2.299 3.258 . 0 0 "[ . 1 . 2]" 1
593 1 37 LEU HA 1 72 VAL H . . 4.530 3.932 3.606 4.284 . 0 0 "[ . 1 . 2]" 1
594 1 37 LEU HB2 1 37 LEU QD . . 3.180 2.284 2.110 2.425 . 0 0 "[ . 1 . 2]" 1
595 1 37 LEU HB2 1 38 VAL H . . 4.470 4.356 4.246 4.475 0.005 19 0 "[ . 1 . 2]" 1
596 1 37 LEU HB3 1 38 VAL H . . 4.290 3.359 3.053 3.661 . 0 0 "[ . 1 . 2]" 1
597 1 37 LEU QD 1 38 VAL H . . 3.660 3.054 1.953 3.579 . 0 0 "[ . 1 . 2]" 1
598 1 37 LEU QD 1 70 ILE H . . 3.720 3.567 2.581 3.695 . 0 0 "[ . 1 . 2]" 1
599 1 37 LEU QD 1 71 ARG H . . 4.710 3.991 3.163 4.329 . 0 0 "[ . 1 . 2]" 1
600 1 37 LEU QD 1 71 ARG HA . . 3.470 2.292 1.966 2.572 . 0 0 "[ . 1 . 2]" 1
601 1 37 LEU QD 1 71 ARG QB . . 4.170 3.154 2.190 3.611 . 0 0 "[ . 1 . 2]" 1
602 1 37 LEU QD 1 71 ARG QD . . 3.590 3.165 2.077 3.377 . 0 0 "[ . 1 . 2]" 1
603 1 37 LEU QD 1 71 ARG HG2 . . 3.770 2.448 1.937 3.477 . 0 0 "[ . 1 . 2]" 1
604 1 37 LEU QD 1 71 ARG HG3 . . 3.690 1.982 1.765 2.440 . 0 0 "[ . 1 . 2]" 1
605 1 37 LEU QD 1 72 VAL H . . 3.900 3.754 3.399 3.873 . 0 0 "[ . 1 . 2]" 1
606 1 37 LEU HG 1 38 VAL H . . 5.500 4.970 4.506 5.203 . 0 0 "[ . 1 . 2]" 1
607 1 38 VAL H 1 38 VAL HB . . 3.800 2.616 2.487 2.779 . 0 0 "[ . 1 . 2]" 1
608 1 38 VAL H 1 38 VAL MG2 . . 3.400 2.780 2.424 3.048 . 0 0 "[ . 1 . 2]" 1
609 1 38 VAL H 1 69 LEU QD . . 4.500 3.000 2.281 4.025 . 0 0 "[ . 1 . 2]" 1
610 1 38 VAL H 1 70 ILE H . . 4.230 2.304 2.062 2.905 . 0 0 "[ . 1 . 2]" 1
611 1 38 VAL H 1 70 ILE HB . . 4.160 3.034 2.645 3.359 . 0 0 "[ . 1 . 2]" 1
612 1 38 VAL H 1 70 ILE MG . . 4.530 4.222 3.843 4.512 . 0 0 "[ . 1 . 2]" 1
613 1 38 VAL H 1 71 ARG HA . . 4.430 4.186 3.575 4.428 . 0 0 "[ . 1 . 2]" 1
614 1 38 VAL HA 1 38 VAL MG1 . . 3.240 2.349 2.168 2.492 . 0 0 "[ . 1 . 2]" 1
615 1 38 VAL HA 1 38 VAL MG2 . . 3.320 2.367 2.223 2.494 . 0 0 "[ . 1 . 2]" 1
616 1 38 VAL HA 1 39 ASN H . . 3.130 2.201 2.183 2.219 . 0 0 "[ . 1 . 2]" 1
617 1 38 VAL HA 1 39 ASN HB2 . . 4.890 4.515 4.348 4.730 . 0 0 "[ . 1 . 2]" 1
618 1 38 VAL HA 1 39 ASN HB3 . . 5.020 4.691 4.495 4.859 . 0 0 "[ . 1 . 2]" 1
619 1 38 VAL HA 1 70 ILE H . . 5.400 4.486 4.329 4.642 . 0 0 "[ . 1 . 2]" 1
620 1 38 VAL HB 1 39 ASN H . . 4.850 4.403 4.061 4.549 . 0 0 "[ . 1 . 2]" 1
621 1 38 VAL HB 1 70 ILE H . . 4.230 3.208 2.823 3.594 . 0 0 "[ . 1 . 2]" 1
622 1 38 VAL HB 1 70 ILE HB . . 3.250 1.995 1.985 2.016 . 0 0 "[ . 1 . 2]" 1
623 1 38 VAL HB 1 70 ILE MD . . 3.510 2.831 2.124 3.451 . 0 0 "[ . 1 . 2]" 1
624 1 38 VAL HB 1 70 ILE HG13 . . 4.240 3.298 2.556 4.251 0.011 1 0 "[ . 1 . 2]" 1
625 1 38 VAL HB 1 70 ILE MG . . 3.650 3.433 2.796 3.566 . 0 0 "[ . 1 . 2]" 1
626 1 38 VAL MG1 1 39 ASN H . . 3.750 2.995 2.456 3.319 . 0 0 "[ . 1 . 2]" 1
627 1 38 VAL MG1 1 40 MET H . . 5.270 4.500 4.201 4.756 . 0 0 "[ . 1 . 2]" 1
628 1 38 VAL MG1 1 40 MET HG2 . . 3.950 2.731 2.363 3.026 . 0 0 "[ . 1 . 2]" 1
629 1 38 VAL MG1 1 40 MET HG3 . . 4.200 3.648 3.242 3.937 . 0 0 "[ . 1 . 2]" 1
630 1 38 VAL MG1 1 70 ILE H . . 5.060 4.239 3.649 4.675 . 0 0 "[ . 1 . 2]" 1
631 1 38 VAL MG1 1 70 ILE HB . . 3.620 3.465 3.011 3.648 0.028 9 0 "[ . 1 . 2]" 1
632 1 38 VAL MG2 1 39 ASN H . . 4.260 4.212 4.039 4.272 0.012 9 0 "[ . 1 . 2]" 1
633 1 39 ASN H 1 39 ASN HB2 . . 3.710 2.521 2.295 2.811 . 0 0 "[ . 1 . 2]" 1
634 1 39 ASN H 1 39 ASN HB3 . . 3.610 2.534 2.331 2.710 . 0 0 "[ . 1 . 2]" 1
635 1 39 ASN H 1 69 LEU QD . . 4.280 3.285 2.690 3.866 . 0 0 "[ . 1 . 2]" 1
636 1 39 ASN HA 1 40 MET H . . 3.110 2.261 2.252 2.286 . 0 0 "[ . 1 . 2]" 1
637 1 39 ASN HA 1 69 LEU HA . . 5.060 2.574 2.212 2.923 . 0 0 "[ . 1 . 2]" 1
638 1 39 ASN HA 1 69 LEU QD . . 3.490 1.961 1.720 2.437 . 0 0 "[ . 1 . 2]" 1
639 1 39 ASN HA 1 70 ILE H . . 4.360 3.990 3.554 4.311 . 0 0 "[ . 1 . 2]" 1
640 1 39 ASN HB2 1 41 ALA H . . 5.150 4.674 4.518 5.000 . 0 0 "[ . 1 . 2]" 1
641 1 39 ASN HB2 1 69 LEU QD . . 3.750 2.533 2.088 2.760 . 0 0 "[ . 1 . 2]" 1
642 1 39 ASN HB3 1 40 MET H . . 5.200 4.246 4.082 4.502 . 0 0 "[ . 1 . 2]" 1
643 1 39 ASN HB3 1 41 ALA H . . 5.290 3.784 3.429 4.136 . 0 0 "[ . 1 . 2]" 1
644 1 39 ASN HB3 1 69 LEU QD . . 4.240 3.584 3.187 3.809 . 0 0 "[ . 1 . 2]" 1
645 1 39 ASN HD21 1 41 ALA MB . . 5.080 3.583 2.739 4.285 . 0 0 "[ . 1 . 2]" 1
646 1 39 ASN HD21 1 69 LEU QD . . 5.090 3.412 1.866 4.381 . 0 0 "[ . 1 . 2]" 1
647 1 39 ASN HD22 1 41 ALA MB . . 4.420 2.450 1.768 3.266 . 0 0 "[ . 1 . 2]" 1
648 1 39 ASN HD22 1 69 LEU QD . . 4.990 3.450 2.620 4.354 . 0 0 "[ . 1 . 2]" 1
649 1 40 MET H 1 40 MET HB2 . . 3.820 2.529 2.467 2.618 . 0 0 "[ . 1 . 2]" 1
650 1 40 MET H 1 40 MET ME . . 4.840 4.804 4.693 4.862 0.022 17 0 "[ . 1 . 2]" 1
651 1 40 MET H 1 40 MET HG2 . . 4.050 2.637 2.387 2.814 . 0 0 "[ . 1 . 2]" 1
652 1 40 MET H 1 40 MET HG3 . . 4.330 3.767 3.572 3.925 . 0 0 "[ . 1 . 2]" 1
653 1 40 MET H 1 41 ALA H . . 3.610 2.854 2.565 3.269 . 0 0 "[ . 1 . 2]" 1
654 1 40 MET H 1 41 ALA HA . . 5.290 4.408 4.240 4.571 . 0 0 "[ . 1 . 2]" 1
655 1 40 MET H 1 41 ALA MB . . 4.690 4.094 3.866 4.221 . 0 0 "[ . 1 . 2]" 1
656 1 40 MET H 1 68 THR HB . . 3.980 2.952 2.706 3.179 . 0 0 "[ . 1 . 2]" 1
657 1 40 MET H 1 68 THR MG . . 4.900 4.387 4.169 4.568 . 0 0 "[ . 1 . 2]" 1
658 1 40 MET H 1 69 LEU HA . . 4.410 3.126 3.012 3.280 . 0 0 "[ . 1 . 2]" 1
659 1 40 MET H 1 69 LEU QD . . 4.480 2.994 2.550 3.532 . 0 0 "[ . 1 . 2]" 1
660 1 40 MET H 1 70 ILE H . . 4.900 4.759 4.100 4.915 0.015 10 0 "[ . 1 . 2]" 1
661 1 40 MET HA 1 40 MET ME . . 3.450 3.454 3.391 3.488 0.038 7 0 "[ . 1 . 2]" 1
662 1 40 MET HA 1 40 MET HG2 . . 4.270 2.900 2.864 2.958 . 0 0 "[ . 1 . 2]" 1
663 1 40 MET HA 1 41 ALA MB . . 4.850 4.472 4.395 4.529 . 0 0 "[ . 1 . 2]" 1
664 1 40 MET HA 1 42 SER H . . 5.330 3.073 2.901 3.384 . 0 0 "[ . 1 . 2]" 1
665 1 40 MET HA 1 43 PHE H . . 4.580 3.092 2.896 3.337 . 0 0 "[ . 1 . 2]" 1
666 1 40 MET HB2 1 40 MET ME . . 3.020 3.095 3.075 3.115 0.095 10 0 "[ . 1 . 2]" 1
667 1 40 MET HB2 1 41 ALA H . . 4.510 4.235 4.111 4.416 . 0 0 "[ . 1 . 2]" 1
668 1 40 MET HB2 1 43 PHE H . . 5.250 4.330 4.135 4.530 . 0 0 "[ . 1 . 2]" 1
669 1 40 MET HB2 1 44 PRO HA . . 4.530 3.370 3.095 3.611 . 0 0 "[ . 1 . 2]" 1
670 1 40 MET HB2 1 47 THR H . . 5.500 5.113 4.876 5.260 . 0 0 "[ . 1 . 2]" 1
671 1 40 MET HB2 1 47 THR HA . . 4.870 3.900 3.782 3.999 . 0 0 "[ . 1 . 2]" 1
672 1 40 MET HB2 1 47 THR MG . . 4.370 3.026 2.694 3.382 . 0 0 "[ . 1 . 2]" 1
673 1 40 MET HB2 1 68 THR HA . . 4.220 3.130 3.030 3.251 . 0 0 "[ . 1 . 2]" 1
674 1 40 MET HB2 1 68 THR HB . . 3.880 3.321 3.178 3.429 . 0 0 "[ . 1 . 2]" 1
675 1 40 MET HB3 1 40 MET ME . . 3.030 1.938 1.930 1.945 . 0 0 "[ . 1 . 2]" 1
676 1 40 MET HB3 1 41 ALA H . . 5.390 4.539 4.494 4.566 . 0 0 "[ . 1 . 2]" 1
677 1 40 MET HB3 1 43 PHE H . . 5.320 3.258 3.067 3.514 . 0 0 "[ . 1 . 2]" 1
678 1 40 MET HB3 1 44 PRO HA . . 4.190 3.183 2.921 3.444 . 0 0 "[ . 1 . 2]" 1
679 1 40 MET HB3 1 47 THR H . . 5.250 4.383 4.051 4.523 . 0 0 "[ . 1 . 2]" 1
680 1 40 MET HB3 1 47 THR HA . . 4.840 3.470 3.356 3.572 . 0 0 "[ . 1 . 2]" 1
681 1 40 MET HB3 1 47 THR MG . . 4.320 3.787 3.524 4.037 . 0 0 "[ . 1 . 2]" 1
682 1 40 MET HB3 1 68 THR HB . . 4.670 4.640 4.471 4.685 0.015 9 0 "[ . 1 . 2]" 1
683 1 40 MET HB3 1 68 THR MG . . 4.480 4.506 4.497 4.514 0.034 14 0 "[ . 1 . 2]" 1
684 1 40 MET HB3 1 70 ILE MD . . 4.740 4.307 4.127 4.548 . 0 0 "[ . 1 . 2]" 1
685 1 40 MET ME 1 40 MET HG2 . . 3.420 3.354 3.353 3.355 . 0 0 "[ . 1 . 2]" 1
686 1 40 MET ME 1 40 MET HG3 . . 3.110 2.398 2.394 2.402 . 0 0 "[ . 1 . 2]" 1
687 1 40 MET ME 1 43 PHE H . . 4.520 3.939 3.676 4.140 . 0 0 "[ . 1 . 2]" 1
688 1 40 MET ME 1 43 PHE HB2 . . 3.680 2.063 1.971 2.190 . 0 0 "[ . 1 . 2]" 1
689 1 40 MET ME 1 43 PHE HB3 . . 4.120 2.301 1.992 2.591 . 0 0 "[ . 1 . 2]" 1
690 1 40 MET ME 1 43 PHE HD1 . . 4.190 4.204 4.168 4.224 0.034 17 0 "[ . 1 . 2]" 1
691 1 40 MET ME 1 43 PHE HD2 . . 4.760 4.182 3.690 4.491 . 0 0 "[ . 1 . 2]" 1
692 1 40 MET ME 1 44 PRO HA . . 4.170 3.826 3.541 4.051 . 0 0 "[ . 1 . 2]" 1
693 1 40 MET ME 1 46 CYS H . . 3.830 3.255 3.164 3.381 . 0 0 "[ . 1 . 2]" 1
694 1 40 MET ME 1 46 CYS HA . . 4.430 4.112 4.021 4.188 . 0 0 "[ . 1 . 2]" 1
695 1 40 MET ME 1 46 CYS HB2 . . 3.100 3.076 2.883 3.122 0.022 7 0 "[ . 1 . 2]" 1
696 1 40 MET ME 1 46 CYS HB3 . . 3.200 2.648 2.357 2.895 . 0 0 "[ . 1 . 2]" 1
697 1 40 MET ME 1 47 THR H . . 4.710 3.129 2.880 3.239 . 0 0 "[ . 1 . 2]" 1
698 1 40 MET ME 1 47 THR HA . . 3.220 1.918 1.882 1.957 . 0 0 "[ . 1 . 2]" 1
699 1 40 MET ME 1 47 THR MG . . 3.370 3.379 3.263 3.423 0.053 11 0 "[ . 1 . 2]" 1
700 1 40 MET ME 1 50 ALA H . . 4.270 3.208 3.097 3.301 . 0 0 "[ . 1 . 2]" 1
701 1 40 MET ME 1 50 ALA HA . . 4.520 4.555 4.533 4.578 0.058 2 0 "[ . 1 . 2]" 1
702 1 40 MET ME 1 50 ALA MB . . 2.780 2.254 2.198 2.310 . 0 0 "[ . 1 . 2]" 1
703 1 40 MET ME 1 70 ILE MD . . 3.270 3.027 2.819 3.230 . 0 0 "[ . 1 . 2]" 1
704 1 40 MET HG2 1 41 ALA H . . 5.460 4.794 4.714 4.901 . 0 0 "[ . 1 . 2]" 1
705 1 40 MET HG2 1 47 THR HA . . 4.340 4.361 4.350 4.379 0.039 5 0 "[ . 1 . 2]" 1
706 1 40 MET HG2 1 47 THR MG . . 4.140 3.918 3.724 4.026 . 0 0 "[ . 1 . 2]" 1
707 1 40 MET HG2 1 50 ALA MB . . 4.730 4.533 4.380 4.705 . 0 0 "[ . 1 . 2]" 1
708 1 40 MET HG2 1 70 ILE H . . 5.440 4.215 3.365 4.633 . 0 0 "[ . 1 . 2]" 1
709 1 40 MET HG2 1 70 ILE MD . . 3.740 2.994 2.635 3.311 . 0 0 "[ . 1 . 2]" 1
710 1 40 MET HG2 1 70 ILE HG13 . . 3.850 2.908 2.534 3.375 . 0 0 "[ . 1 . 2]" 1
711 1 40 MET HG3 1 47 THR HA . . 3.750 2.660 2.642 2.674 . 0 0 "[ . 1 . 2]" 1
712 1 40 MET HG3 1 47 THR MG . . 3.730 2.618 2.478 2.720 . 0 0 "[ . 1 . 2]" 1
713 1 40 MET HG3 1 50 ALA MB . . 4.320 3.721 3.610 3.847 . 0 0 "[ . 1 . 2]" 1
714 1 40 MET HG3 1 70 ILE H . . 5.500 4.893 3.999 5.396 . 0 0 "[ . 1 . 2]" 1
715 1 40 MET HG3 1 70 ILE MD . . 3.540 2.118 1.972 2.402 . 0 0 "[ . 1 . 2]" 1
716 1 40 MET HG3 1 70 ILE HG13 . . 4.820 2.713 2.502 2.955 . 0 0 "[ . 1 . 2]" 1
717 1 41 ALA H 1 41 ALA MB . . 2.860 2.093 1.937 2.199 . 0 0 "[ . 1 . 2]" 1
718 1 41 ALA H 1 42 SER H . . 4.160 2.538 2.318 2.669 . 0 0 "[ . 1 . 2]" 1
719 1 41 ALA H 1 43 PHE H . . 4.990 3.850 3.612 4.237 . 0 0 "[ . 1 . 2]" 1
720 1 41 ALA H 1 68 THR HB . . 4.070 3.602 3.222 3.910 . 0 0 "[ . 1 . 2]" 1
721 1 41 ALA H 1 68 THR MG . . 4.710 4.649 4.378 4.724 0.014 18 0 "[ . 1 . 2]" 1
722 1 41 ALA H 1 69 LEU QD . . 5.170 4.123 3.773 4.478 . 0 0 "[ . 1 . 2]" 1
723 1 41 ALA HA 1 42 SER HA . . 4.520 4.575 4.539 4.607 0.087 6 0 "[ . 1 . 2]" 1
724 1 41 ALA HA 1 43 PHE H . . 5.020 3.858 3.605 4.517 . 0 0 "[ . 1 . 2]" 1
725 1 41 ALA HA 1 44 PRO HB3 . . 4.110 3.801 3.631 3.922 . 0 0 "[ . 1 . 2]" 1
726 1 41 ALA HA 1 44 PRO HD3 . . 4.450 3.951 3.755 4.108 . 0 0 "[ . 1 . 2]" 1
727 1 41 ALA HA 1 44 PRO HG3 . . 3.930 3.790 3.483 3.953 0.023 12 0 "[ . 1 . 2]" 1
728 1 41 ALA HA 1 68 THR HB . . 3.760 2.874 2.684 3.101 . 0 0 "[ . 1 . 2]" 1
729 1 41 ALA HA 1 68 THR MG . . 3.450 2.862 2.583 3.083 . 0 0 "[ . 1 . 2]" 1
730 1 41 ALA MB 1 42 SER H . . 4.180 3.011 2.745 3.179 . 0 0 "[ . 1 . 2]" 1
731 1 41 ALA MB 1 42 SER HA . . 4.470 3.968 3.894 4.029 . 0 0 "[ . 1 . 2]" 1
732 1 41 ALA MB 1 42 SER HB2 . . 4.490 4.165 3.784 5.482 0.992 7 1 "[ . + 1 . 2]" 1
733 1 41 ALA MB 1 43 PHE H . . 4.890 4.404 4.190 4.793 . 0 0 "[ . 1 . 2]" 1
734 1 41 ALA MB 1 68 THR HB . . 3.900 3.454 3.206 3.572 . 0 0 "[ . 1 . 2]" 1
735 1 41 ALA MB 1 68 THR MG . . 4.000 3.770 3.525 3.900 . 0 0 "[ . 1 . 2]" 1
736 1 42 SER H 1 42 SER HB2 . . 3.740 2.332 2.166 3.495 . 0 0 "[ . 1 . 2]" 1
737 1 42 SER H 1 42 SER HB3 . . 4.110 3.148 2.560 3.454 . 0 0 "[ . 1 . 2]" 1
738 1 42 SER H 1 43 PHE H . . 3.500 2.237 2.083 2.487 . 0 0 "[ . 1 . 2]" 1
739 1 42 SER H 1 43 PHE HD1 . . 5.070 3.405 3.065 3.889 . 0 0 "[ . 1 . 2]" 1
740 1 42 SER H 1 44 PRO HD3 . . 5.340 4.081 3.922 4.284 . 0 0 "[ . 1 . 2]" 1
741 1 42 SER HB2 1 43 PHE H . . 4.160 3.777 3.360 4.168 0.008 19 0 "[ . 1 . 2]" 1
742 1 42 SER HB2 1 43 PHE HD1 . . 3.790 2.977 2.388 3.738 . 0 0 "[ . 1 . 2]" 1
743 1 42 SER HB2 1 43 PHE HE1 . . 4.300 3.745 2.817 4.308 0.008 19 0 "[ . 1 . 2]" 1
744 1 42 SER HB3 1 43 PHE H . . 3.840 3.776 3.301 4.189 0.349 7 0 "[ . 1 . 2]" 1
745 1 42 SER HB3 1 43 PHE HD1 . . 3.920 2.184 1.992 3.792 . 0 0 "[ . 1 . 2]" 1
746 1 42 SER HB3 1 43 PHE HE1 . . 4.340 2.554 2.078 4.240 . 0 0 "[ . 1 . 2]" 1
747 1 43 PHE H 1 43 PHE HB3 . . 4.010 3.771 3.623 3.881 . 0 0 "[ . 1 . 2]" 1
748 1 43 PHE H 1 43 PHE HD1 . . 4.270 3.064 2.715 3.421 . 0 0 "[ . 1 . 2]" 1
749 1 43 PHE H 1 44 PRO HD2 . . 4.260 3.856 3.671 4.222 . 0 0 "[ . 1 . 2]" 1
750 1 43 PHE H 1 44 PRO HD3 . . 3.800 2.574 2.346 3.042 . 0 0 "[ . 1 . 2]" 1
751 1 43 PHE HA 1 43 PHE HD1 . . 4.490 3.822 3.581 3.967 . 0 0 "[ . 1 . 2]" 1
752 1 43 PHE HA 1 44 PRO HD2 . . 3.760 2.382 2.331 2.424 . 0 0 "[ . 1 . 2]" 1
753 1 43 PHE HA 1 44 PRO HD3 . . 3.970 2.676 2.598 2.736 . 0 0 "[ . 1 . 2]" 1
754 1 43 PHE HB2 1 43 PHE HD2 . . 3.450 3.599 3.557 3.648 0.198 13 0 "[ . 1 . 2]" 1
755 1 43 PHE HB2 1 44 PRO HD2 . . 4.710 5.089 5.071 5.107 0.397 20 0 "[ . 1 . 2]" 1
756 1 43 PHE HB2 1 46 CYS H . . 4.520 4.205 4.028 4.327 . 0 0 "[ . 1 . 2]" 1
757 1 43 PHE HB2 1 46 CYS HB2 . . 4.220 3.654 3.523 3.736 . 0 0 "[ . 1 . 2]" 1
758 1 43 PHE HB2 1 46 CYS HB3 . . 4.320 4.185 3.811 4.385 0.065 4 0 "[ . 1 . 2]" 1
759 1 43 PHE HB3 1 43 PHE HD1 . . 3.560 3.696 3.661 3.718 0.158 10 0 "[ . 1 . 2]" 1
760 1 43 PHE HB3 1 46 CYS H . . 4.840 2.958 2.656 3.339 . 0 0 "[ . 1 . 2]" 1
761 1 43 PHE HB3 1 46 CYS HB2 . . 4.440 1.995 1.986 2.017 . 0 0 "[ . 1 . 2]" 1
762 1 43 PHE HB3 1 46 CYS HB3 . . 4.380 2.965 2.568 3.256 . 0 0 "[ . 1 . 2]" 1
763 1 43 PHE HD2 1 46 CYS HB2 . . 5.130 2.597 1.996 3.110 . 0 0 "[ . 1 . 2]" 1
764 1 44 PRO HA 1 46 CYS H . . 4.210 3.710 3.465 3.925 . 0 0 "[ . 1 . 2]" 1
765 1 44 PRO HA 1 68 THR MG . . 3.750 2.954 2.763 3.157 . 0 0 "[ . 1 . 2]" 1
766 1 44 PRO HB2 1 68 THR MG . . 3.560 3.161 2.926 3.408 . 0 0 "[ . 1 . 2]" 1
767 1 44 PRO HD2 1 45 GLU H . . 4.500 2.453 2.297 2.598 . 0 0 "[ . 1 . 2]" 1
768 1 44 PRO HD3 1 45 GLU H . . 4.980 3.715 3.660 3.775 . 0 0 "[ . 1 . 2]" 1
769 1 44 PRO HG2 1 45 GLU H . . 3.710 3.484 3.162 3.717 0.007 9 0 "[ . 1 . 2]" 1
770 1 44 PRO HG3 1 68 THR MG . . 3.960 3.477 3.227 3.688 . 0 0 "[ . 1 . 2]" 1
771 1 45 GLU H 1 45 GLU HB3 . . 3.970 2.757 2.261 3.670 . 0 0 "[ . 1 . 2]" 1
772 1 45 GLU H 1 45 GLU HG2 . . 4.070 2.683 2.183 4.080 0.010 15 0 "[ . 1 . 2]" 1
773 1 45 GLU H 1 46 CYS H . . 3.730 2.240 2.061 2.425 . 0 0 "[ . 1 . 2]" 1
774 1 45 GLU HA 1 45 GLU HG3 . . 3.690 3.699 2.754 4.145 0.455 2 0 "[ . 1 . 2]" 1
775 1 45 GLU HA 1 47 THR H . . 4.600 3.545 3.489 3.604 . 0 0 "[ . 1 . 2]" 1
776 1 45 GLU HB2 1 45 GLU HG3 . . 3.000 2.473 2.265 2.986 . 0 0 "[ . 1 . 2]" 1
777 1 45 GLU HB3 1 45 GLU HG2 . . 2.910 2.648 2.266 2.967 0.057 17 0 "[ . 1 . 2]" 1
778 1 45 GLU HB3 1 46 CYS H . . 4.820 4.196 3.429 4.425 . 0 0 "[ . 1 . 2]" 1
779 1 45 GLU HG2 1 46 CYS H . . 4.620 3.346 2.328 5.350 0.730 8 1 "[ . + 1 . 2]" 1
780 1 46 CYS H 1 46 CYS HB2 . . 3.560 2.372 2.280 2.496 . 0 0 "[ . 1 . 2]" 1
781 1 46 CYS H 1 46 CYS HB3 . . 3.890 3.396 3.230 3.526 . 0 0 "[ . 1 . 2]" 1
782 1 46 CYS H 1 47 THR H . . 3.190 2.290 2.027 2.473 . 0 0 "[ . 1 . 2]" 1
783 1 46 CYS H 1 47 THR HA . . 4.540 4.291 4.145 4.407 . 0 0 "[ . 1 . 2]" 1
784 1 46 CYS H 1 47 THR HG1 . . 5.240 3.973 2.899 4.662 . 0 0 "[ . 1 . 2]" 1
785 1 46 CYS HA 1 49 ALA H . . 4.630 3.195 3.068 3.342 . 0 0 "[ . 1 . 2]" 1
786 1 46 CYS HA 1 49 ALA MB . . 4.620 2.604 2.385 2.734 . 0 0 "[ . 1 . 2]" 1
787 1 46 CYS HB2 1 47 THR H . . 4.780 4.090 3.930 4.172 . 0 0 "[ . 1 . 2]" 1
788 1 46 CYS HB2 1 49 ALA MB . . 4.610 4.074 3.918 4.205 . 0 0 "[ . 1 . 2]" 1
789 1 46 CYS HB3 1 47 THR H . . 5.050 4.219 3.944 4.343 . 0 0 "[ . 1 . 2]" 1
790 1 46 CYS HB3 1 49 ALA H . . 5.410 4.709 4.483 5.074 . 0 0 "[ . 1 . 2]" 1
791 1 46 CYS HB3 1 49 ALA MB . . 4.110 2.860 2.598 3.266 . 0 0 "[ . 1 . 2]" 1
792 1 46 CYS HB3 1 50 ALA H . . 4.880 4.056 3.895 4.202 . 0 0 "[ . 1 . 2]" 1
793 1 46 CYS HB3 1 50 ALA MB . . 4.510 4.232 3.965 4.371 . 0 0 "[ . 1 . 2]" 1
794 1 47 THR H 1 47 THR HB . . 3.460 2.440 2.362 2.583 . 0 0 "[ . 1 . 2]" 1
795 1 47 THR H 1 47 THR HG1 . . 3.960 2.741 1.936 3.251 . 0 0 "[ . 1 . 2]" 1
796 1 47 THR H 1 47 THR MG . . 4.140 3.667 3.645 3.678 . 0 0 "[ . 1 . 2]" 1
797 1 47 THR H 1 48 ALA H . . 4.420 2.890 2.799 3.002 . 0 0 "[ . 1 . 2]" 1
798 1 47 THR H 1 48 ALA MB . . 4.740 4.417 4.364 4.536 . 0 0 "[ . 1 . 2]" 1
799 1 47 THR H 1 49 ALA H . . 4.710 4.176 4.039 4.377 . 0 0 "[ . 1 . 2]" 1
800 1 47 THR H 1 49 ALA MB . . 4.790 4.440 4.302 4.665 . 0 0 "[ . 1 . 2]" 1
801 1 47 THR HA 1 47 THR MG . . 3.190 2.432 2.281 2.497 . 0 0 "[ . 1 . 2]" 1
802 1 47 THR HA 1 50 ALA H . . 4.500 3.740 3.704 3.797 . 0 0 "[ . 1 . 2]" 1
803 1 47 THR HA 1 50 ALA MB . . 3.630 3.205 3.108 3.272 . 0 0 "[ . 1 . 2]" 1
804 1 47 THR HA 1 70 ILE MD . . 3.890 2.657 2.210 3.130 . 0 0 "[ . 1 . 2]" 1
805 1 47 THR HB 1 48 ALA H . . 3.980 2.371 2.160 2.581 . 0 0 "[ . 1 . 2]" 1
806 1 47 THR HB 1 48 ALA MB . . 4.180 3.767 3.689 3.833 . 0 0 "[ . 1 . 2]" 1
807 1 47 THR MG 1 48 ALA H . . 4.770 3.383 3.123 3.648 . 0 0 "[ . 1 . 2]" 1
808 1 47 THR MG 1 48 ALA HA . . 4.000 3.644 3.423 3.874 . 0 0 "[ . 1 . 2]" 1
809 1 47 THR MG 1 51 ILE H . . 4.270 4.280 4.247 4.306 0.036 12 0 "[ . 1 . 2]" 1
810 1 47 THR MG 1 51 ILE HB . . 4.620 4.542 4.455 4.625 0.005 4 0 "[ . 1 . 2]" 1
811 1 47 THR MG 1 51 ILE HG13 . . 4.240 4.195 4.015 4.251 0.011 3 0 "[ . 1 . 2]" 1
812 1 47 THR MG 1 65 VAL HB . . 4.690 3.733 3.492 3.981 . 0 0 "[ . 1 . 2]" 1
813 1 47 THR MG 1 65 VAL MG1 . . 3.610 3.542 3.183 3.624 0.014 15 0 "[ . 1 . 2]" 1
814 1 47 THR MG 1 65 VAL MG2 . . 2.690 1.770 1.691 1.856 . 0 0 "[ . 1 . 2]" 1
815 1 47 THR MG 1 70 ILE MD . . 3.330 2.515 2.115 2.929 . 0 0 "[ . 1 . 2]" 1
816 1 47 THR MG 1 70 ILE HG12 . . 4.080 2.704 2.519 2.923 . 0 0 "[ . 1 . 2]" 1
817 1 47 THR MG 1 70 ILE HG13 . . 4.050 3.137 2.332 3.640 . 0 0 "[ . 1 . 2]" 1
818 1 48 ALA H 1 48 ALA MB . . 3.520 2.076 2.059 2.105 . 0 0 "[ . 1 . 2]" 1
819 1 48 ALA H 1 49 ALA H . . 3.960 2.811 2.694 2.924 . 0 0 "[ . 1 . 2]" 1
820 1 48 ALA HA 1 51 ILE H . . 3.760 3.459 3.412 3.529 . 0 0 "[ . 1 . 2]" 1
821 1 48 ALA HA 1 51 ILE HB . . 3.510 2.425 2.389 2.468 . 0 0 "[ . 1 . 2]" 1
822 1 48 ALA HA 1 51 ILE MD . . 3.440 2.114 1.995 2.363 . 0 0 "[ . 1 . 2]" 1
823 1 48 ALA HA 1 51 ILE HG12 . . 4.720 4.733 4.608 4.755 0.035 19 0 "[ . 1 . 2]" 1
824 1 48 ALA HA 1 51 ILE HG13 . . 4.440 4.457 4.434 4.468 0.028 2 0 "[ . 1 . 2]" 1
825 1 48 ALA HA 1 51 ILE MG . . 3.630 3.669 3.647 3.691 0.061 10 0 "[ . 1 . 2]" 1
826 1 48 ALA HA 1 52 LYS H . . 4.650 4.006 3.809 4.153 . 0 0 "[ . 1 . 2]" 1
827 1 48 ALA MB 1 49 ALA H . . 3.250 2.432 2.366 2.480 . 0 0 "[ . 1 . 2]" 1
828 1 48 ALA MB 1 50 ALA H . . 4.710 4.706 4.616 4.742 0.032 10 0 "[ . 1 . 2]" 1
829 1 48 ALA MB 1 51 ILE HB . . 4.070 3.802 3.774 3.850 . 0 0 "[ . 1 . 2]" 1
830 1 48 ALA MB 1 51 ILE MD . . 4.230 3.545 3.483 3.612 . 0 0 "[ . 1 . 2]" 1
831 1 49 ALA H 1 49 ALA MB . . 2.890 2.168 2.127 2.184 . 0 0 "[ . 1 . 2]" 1
832 1 49 ALA H 1 50 ALA H . . 3.490 3.102 3.057 3.140 . 0 0 "[ . 1 . 2]" 1
833 1 49 ALA H 1 52 LYS HB2 . . 5.100 4.624 4.538 4.755 . 0 0 "[ . 1 . 2]" 1
834 1 49 ALA HA 1 52 LYS H . . 3.980 3.629 3.499 3.849 . 0 0 "[ . 1 . 2]" 1
835 1 49 ALA HA 1 52 LYS HB2 . . 3.290 2.618 2.461 2.833 . 0 0 "[ . 1 . 2]" 1
836 1 49 ALA HA 1 52 LYS QD . . 4.130 2.941 2.619 3.416 . 0 0 "[ . 1 . 2]" 1
837 1 49 ALA HA 1 53 ALA H . . 4.170 4.117 3.933 4.195 0.025 11 0 "[ . 1 . 2]" 1
838 1 49 ALA MB 1 50 ALA H . . 3.410 2.346 2.201 2.444 . 0 0 "[ . 1 . 2]" 1
839 1 49 ALA MB 1 50 ALA HA . . 3.950 3.774 3.749 3.799 . 0 0 "[ . 1 . 2]" 1
840 1 49 ALA MB 1 53 ALA H . . 4.440 4.500 4.467 4.556 0.116 10 0 "[ . 1 . 2]" 1
841 1 50 ALA H 1 50 ALA MB . . 2.970 2.023 1.970 2.069 . 0 0 "[ . 1 . 2]" 1
842 1 50 ALA H 1 51 ILE H . . 3.120 3.042 2.992 3.086 . 0 0 "[ . 1 . 2]" 1
843 1 50 ALA H 1 51 ILE HB . . 5.060 4.775 4.702 4.827 . 0 0 "[ . 1 . 2]" 1
844 1 50 ALA H 1 52 LYS H . . 4.940 4.219 3.938 4.621 . 0 0 "[ . 1 . 2]" 1
845 1 50 ALA H 1 53 ALA H . . 5.300 4.899 4.836 4.963 . 0 0 "[ . 1 . 2]" 1
846 1 50 ALA H 1 53 ALA MB . . 5.090 4.729 4.504 4.874 . 0 0 "[ . 1 . 2]" 1
847 1 50 ALA H 1 70 ILE MD . . 4.900 3.942 3.679 4.156 . 0 0 "[ . 1 . 2]" 1
848 1 50 ALA HA 1 53 ALA H . . 3.880 3.566 3.401 3.849 . 0 0 "[ . 1 . 2]" 1
849 1 50 ALA HA 1 53 ALA MB . . 3.440 2.692 2.399 2.854 . 0 0 "[ . 1 . 2]" 1
850 1 50 ALA HA 1 54 ILE H . . 4.530 4.272 4.189 4.386 . 0 0 "[ . 1 . 2]" 1
851 1 50 ALA MB 1 51 ILE H . . 3.270 2.126 2.073 2.182 . 0 0 "[ . 1 . 2]" 1
852 1 50 ALA MB 1 51 ILE HA . . 4.540 3.641 3.600 3.678 . 0 0 "[ . 1 . 2]" 1
853 1 50 ALA MB 1 51 ILE HB . . 4.160 4.157 4.140 4.176 0.016 6 0 "[ . 1 . 2]" 1
854 1 50 ALA MB 1 51 ILE HG13 . . 4.720 3.389 3.303 3.485 . 0 0 "[ . 1 . 2]" 1
855 1 50 ALA MB 1 52 LYS H . . 4.810 4.360 4.137 4.675 . 0 0 "[ . 1 . 2]" 1
856 1 50 ALA MB 1 53 ALA H . . 5.070 4.779 4.698 4.933 . 0 0 "[ . 1 . 2]" 1
857 1 50 ALA MB 1 54 ILE MD . . 3.560 2.897 2.805 3.038 . 0 0 "[ . 1 . 2]" 1
858 1 50 ALA MB 1 70 ILE MD . . 3.110 1.955 1.805 2.110 . 0 0 "[ . 1 . 2]" 1
859 1 50 ALA MB 1 70 ILE MG . . 4.380 3.363 3.031 3.654 . 0 0 "[ . 1 . 2]" 1
860 1 51 ILE H 1 51 ILE HB . . 3.250 2.295 2.266 2.338 . 0 0 "[ . 1 . 2]" 1
861 1 51 ILE H 1 51 ILE MD . . 3.660 2.702 2.531 2.794 . 0 0 "[ . 1 . 2]" 1
862 1 51 ILE H 1 51 ILE HG12 . . 3.900 3.889 3.829 3.923 0.023 11 0 "[ . 1 . 2]" 1
863 1 51 ILE H 1 51 ILE HG13 . . 3.490 2.560 2.467 2.626 . 0 0 "[ . 1 . 2]" 1
864 1 51 ILE H 1 51 ILE MG . . 3.660 3.678 3.665 3.694 0.034 9 0 "[ . 1 . 2]" 1
865 1 51 ILE H 1 52 LYS H . . 3.590 3.006 2.910 3.150 . 0 0 "[ . 1 . 2]" 1
866 1 51 ILE H 1 52 LYS HB2 . . 5.030 4.772 4.702 4.853 . 0 0 "[ . 1 . 2]" 1
867 1 51 ILE H 1 70 ILE MD . . 3.940 2.776 2.414 3.227 . 0 0 "[ . 1 . 2]" 1
868 1 51 ILE HA 1 51 ILE MD . . 3.680 3.667 3.607 3.687 0.007 9 0 "[ . 1 . 2]" 1
869 1 51 ILE HA 1 51 ILE HG12 . . 3.900 2.935 2.904 3.017 . 0 0 "[ . 1 . 2]" 1
870 1 51 ILE HA 1 51 ILE HG13 . . 3.620 2.244 2.185 2.280 . 0 0 "[ . 1 . 2]" 1
871 1 51 ILE HA 1 51 ILE MG . . 3.220 2.624 2.584 2.661 . 0 0 "[ . 1 . 2]" 1
872 1 51 ILE HA 1 53 ALA H . . 5.180 5.087 4.906 5.184 0.004 20 0 "[ . 1 . 2]" 1
873 1 51 ILE HA 1 54 ILE HB . . 3.370 2.997 2.763 3.215 . 0 0 "[ . 1 . 2]" 1
874 1 51 ILE HA 1 54 ILE MD . . 3.140 1.973 1.888 2.277 . 0 0 "[ . 1 . 2]" 1
875 1 51 ILE HA 1 55 ARG H . . 4.540 4.349 4.189 4.510 . 0 0 "[ . 1 . 2]" 1
876 1 51 ILE HA 1 63 PRO HB2 . . 4.800 3.131 2.824 3.423 . 0 0 "[ . 1 . 2]" 1
877 1 51 ILE HA 1 63 PRO HG2 . . 3.940 3.102 2.924 3.462 . 0 0 "[ . 1 . 2]" 1
878 1 51 ILE HA 1 63 PRO HG3 . . 4.410 3.563 3.333 3.824 . 0 0 "[ . 1 . 2]" 1
879 1 51 ILE HA 1 70 ILE MD . . 4.100 3.689 3.281 4.109 0.009 11 0 "[ . 1 . 2]" 1
880 1 51 ILE HA 1 70 ILE MG . . 4.260 3.312 3.109 3.445 . 0 0 "[ . 1 . 2]" 1
881 1 51 ILE HB 1 51 ILE MD . . 3.160 2.031 1.946 2.157 . 0 0 "[ . 1 . 2]" 1
882 1 51 ILE HB 1 52 LYS H . . 3.590 2.759 2.475 2.984 . 0 0 "[ . 1 . 2]" 1
883 1 51 ILE MD 1 52 LYS H . . 4.590 4.287 4.107 4.429 . 0 0 "[ . 1 . 2]" 1
884 1 51 ILE HG13 1 52 LYS H . . 4.910 4.738 4.681 4.776 . 0 0 "[ . 1 . 2]" 1
885 1 51 ILE MG 1 52 LYS H . . 3.610 2.998 2.571 3.262 . 0 0 "[ . 1 . 2]" 1
886 1 51 ILE MG 1 52 LYS HA . . 3.580 3.109 2.845 3.273 . 0 0 "[ . 1 . 2]" 1
887 1 51 ILE MG 1 52 LYS HG3 . . 3.830 3.828 3.717 3.857 0.027 4 0 "[ . 1 . 2]" 1
888 1 51 ILE MG 1 53 ALA H . . 5.300 5.162 4.875 5.338 0.038 12 0 "[ . 1 . 2]" 1
889 1 51 ILE MG 1 54 ILE H . . 5.380 4.864 4.681 5.055 . 0 0 "[ . 1 . 2]" 1
890 1 51 ILE MG 1 55 ARG H . . 4.740 3.897 3.632 4.089 . 0 0 "[ . 1 . 2]" 1
891 1 51 ILE MG 1 55 ARG QD . . 3.450 2.237 1.776 3.021 . 0 0 "[ . 1 . 2]" 1
892 1 51 ILE MG 1 55 ARG HG2 . . 4.560 4.099 2.772 4.572 0.012 13 0 "[ . 1 . 2]" 1
893 1 51 ILE MG 1 63 PRO HB2 . . 3.500 3.096 2.663 3.274 . 0 0 "[ . 1 . 2]" 1
894 1 51 ILE MG 1 63 PRO HB3 . . 4.270 4.252 3.981 4.326 0.056 4 0 "[ . 1 . 2]" 1
895 1 51 ILE MG 1 63 PRO HD2 . . 4.460 3.430 3.185 3.676 . 0 0 "[ . 1 . 2]" 1
896 1 51 ILE MG 1 63 PRO HG2 . . 3.200 1.956 1.921 1.975 . 0 0 "[ . 1 . 2]" 1
897 1 51 ILE MG 1 63 PRO HG3 . . 3.840 3.375 3.097 3.536 . 0 0 "[ . 1 . 2]" 1
898 1 52 LYS H 1 52 LYS HB2 . . 3.000 2.014 2.003 2.040 . 0 0 "[ . 1 . 2]" 1
899 1 52 LYS H 1 52 LYS QD . . 4.300 3.471 3.354 3.555 . 0 0 "[ . 1 . 2]" 1
900 1 52 LYS H 1 52 LYS HG2 . . 4.640 4.462 4.417 4.509 . 0 0 "[ . 1 . 2]" 1
901 1 52 LYS H 1 52 LYS HG3 . . 4.220 3.582 3.478 3.681 . 0 0 "[ . 1 . 2]" 1
902 1 52 LYS H 1 53 ALA H . . 3.680 3.024 2.861 3.221 . 0 0 "[ . 1 . 2]" 1
903 1 52 LYS H 1 53 ALA MB . . 4.860 4.365 4.206 4.581 . 0 0 "[ . 1 . 2]" 1
904 1 52 LYS H 1 54 ILE H . . 5.260 4.422 4.110 4.680 . 0 0 "[ . 1 . 2]" 1
905 1 52 LYS HA 1 52 LYS HB2 . . 3.000 2.863 2.838 2.887 . 0 0 "[ . 1 . 2]" 1
906 1 52 LYS HA 1 52 LYS QD . . 3.950 3.709 3.609 3.790 . 0 0 "[ . 1 . 2]" 1
907 1 52 LYS HA 1 52 LYS HE2 . . 4.900 4.862 4.151 5.430 0.530 15 2 "[ . - 1 + 2]" 1
908 1 52 LYS HA 1 52 LYS HG2 . . 3.920 2.933 2.922 2.942 . 0 0 "[ . 1 . 2]" 1
909 1 52 LYS HA 1 52 LYS HG3 . . 3.580 1.981 1.977 1.988 . 0 0 "[ . 1 . 2]" 1
910 1 52 LYS HA 1 54 ILE H . . 4.640 4.549 4.271 4.694 0.054 17 0 "[ . 1 . 2]" 1
911 1 52 LYS HA 1 55 ARG H . . 4.150 3.401 3.268 3.613 . 0 0 "[ . 1 . 2]" 1
912 1 52 LYS HA 1 55 ARG HB2 . . 3.460 2.632 2.263 2.852 . 0 0 "[ . 1 . 2]" 1
913 1 52 LYS HA 1 55 ARG QD . . 3.760 2.997 2.502 3.705 . 0 0 "[ . 1 . 2]" 1
914 1 52 LYS HA 1 56 GLU H . . 5.000 3.879 3.588 4.316 . 0 0 "[ . 1 . 2]" 1
915 1 52 LYS HA 1 56 GLU HG2 . . 5.070 4.768 4.437 5.077 0.007 10 0 "[ . 1 . 2]" 1
916 1 52 LYS HA 1 56 GLU HG3 . . 5.040 3.651 3.252 4.205 . 0 0 "[ . 1 . 2]" 1
917 1 52 LYS HB3 1 53 ALA H . . 3.390 2.449 2.415 2.499 . 0 0 "[ . 1 . 2]" 1
918 1 52 LYS QD 1 52 LYS HE3 . . 2.770 2.433 2.183 2.557 . 0 0 "[ . 1 . 2]" 1
919 1 52 LYS QD 1 52 LYS HG3 . . 2.710 2.406 2.179 2.562 . 0 0 "[ . 1 . 2]" 1
920 1 52 LYS QD 1 53 ALA H . . 4.720 4.649 4.553 4.760 0.040 17 0 "[ . 1 . 2]" 1
921 1 52 LYS HE2 1 52 LYS HG3 . . 3.340 3.117 2.214 4.061 0.721 15 6 "[* . * * * + - 2]" 1
922 1 52 LYS HE3 1 52 LYS HG2 . . 3.850 3.050 2.011 3.810 . 0 0 "[ . 1 . 2]" 1
923 1 52 LYS HG2 1 53 ALA H . . 4.490 4.619 4.587 4.653 0.163 10 0 "[ . 1 . 2]" 1
924 1 52 LYS HG2 1 56 GLU H . . 5.460 5.137 4.644 5.475 0.015 18 0 "[ . 1 . 2]" 1
925 1 52 LYS HG2 1 56 GLU HG2 . . 4.820 4.133 3.604 4.544 . 0 0 "[ . 1 . 2]" 1
926 1 52 LYS HG2 1 56 GLU HG3 . . 4.760 3.051 2.699 3.603 . 0 0 "[ . 1 . 2]" 1
927 1 52 LYS HG3 1 56 GLU HG3 . . 4.680 4.036 3.585 4.683 0.003 6 0 "[ . 1 . 2]" 1
928 1 53 ALA H 1 53 ALA MB . . 3.010 2.103 1.985 2.207 . 0 0 "[ . 1 . 2]" 1
929 1 53 ALA H 1 54 ILE H . . 3.570 3.202 3.117 3.269 . 0 0 "[ . 1 . 2]" 1
930 1 53 ALA H 1 54 ILE MD . . 4.190 4.239 4.162 4.288 0.098 14 0 "[ . 1 . 2]" 1
931 1 53 ALA H 1 55 ARG H . . 4.960 4.708 4.379 4.964 0.004 11 0 "[ . 1 . 2]" 1
932 1 53 ALA HA 1 56 GLU H . . 4.250 3.378 3.175 3.595 . 0 0 "[ . 1 . 2]" 1
933 1 53 ALA HA 1 56 GLU HB2 . . 4.070 2.317 1.994 2.582 . 0 0 "[ . 1 . 2]" 1
934 1 53 ALA HA 1 56 GLU HB3 . . 3.770 3.836 3.496 4.094 0.324 10 0 "[ . 1 . 2]" 1
935 1 53 ALA HA 1 56 GLU HG2 . . 5.500 4.921 4.335 5.353 . 0 0 "[ . 1 . 2]" 1
936 1 53 ALA HA 1 56 GLU HG3 . . 4.760 3.649 3.006 4.280 . 0 0 "[ . 1 . 2]" 1
937 1 53 ALA MB 1 54 ILE H . . 3.310 2.309 2.145 2.535 . 0 0 "[ . 1 . 2]" 1
938 1 53 ALA MB 1 54 ILE HA . . 4.240 3.716 3.610 3.814 . 0 0 "[ . 1 . 2]" 1
939 1 53 ALA MB 1 54 ILE HB . . 4.480 4.354 4.165 4.509 0.029 19 0 "[ . 1 . 2]" 1
940 1 53 ALA MB 1 54 ILE HG13 . . 4.130 3.415 3.045 3.816 . 0 0 "[ . 1 . 2]" 1
941 1 53 ALA MB 1 55 ARG H . . 4.910 4.693 4.456 4.913 0.003 11 0 "[ . 1 . 2]" 1
942 1 53 ALA MB 1 56 GLU H . . 5.230 4.399 4.187 4.612 . 0 0 "[ . 1 . 2]" 1
943 1 54 ILE H 1 54 ILE HB . . 3.270 2.370 2.275 2.527 . 0 0 "[ . 1 . 2]" 1
944 1 54 ILE H 1 54 ILE MD . . 3.230 2.212 1.969 2.293 . 0 0 "[ . 1 . 2]" 1
945 1 54 ILE H 1 54 ILE HG12 . . 3.820 3.794 3.560 3.914 0.094 18 0 "[ . 1 . 2]" 1
946 1 54 ILE H 1 54 ILE HG13 . . 3.430 2.594 2.137 3.007 . 0 0 "[ . 1 . 2]" 1
947 1 54 ILE H 1 54 ILE MG . . 3.890 3.694 3.668 3.712 . 0 0 "[ . 1 . 2]" 1
948 1 54 ILE H 1 55 ARG H . . 3.560 3.031 2.933 3.185 . 0 0 "[ . 1 . 2]" 1
949 1 54 ILE H 1 63 PRO HG3 . . 5.040 4.633 4.449 4.923 . 0 0 "[ . 1 . 2]" 1
950 1 54 ILE HA 1 54 ILE HG12 . . 3.770 3.202 3.109 3.353 . 0 0 "[ . 1 . 2]" 1
951 1 54 ILE HA 1 54 ILE HG13 . . 3.580 2.264 2.143 2.477 . 0 0 "[ . 1 . 2]" 1
952 1 54 ILE HA 1 54 ILE MG . . 2.850 2.485 2.414 2.590 . 0 0 "[ . 1 . 2]" 1
953 1 54 ILE HA 1 57 SER H . . 4.860 3.510 3.014 3.897 . 0 0 "[ . 1 . 2]" 1
954 1 54 ILE HA 1 57 SER QB . . 4.260 2.488 2.163 2.876 . 0 0 "[ . 1 . 2]" 1
955 1 54 ILE HB 1 54 ILE MD . . 2.990 2.015 1.935 2.110 . 0 0 "[ . 1 . 2]" 1
956 1 54 ILE HB 1 55 ARG H . . 3.380 2.404 2.252 2.650 . 0 0 "[ . 1 . 2]" 1
957 1 54 ILE MD 1 55 ARG H . . 4.420 3.803 3.613 4.072 . 0 0 "[ . 1 . 2]" 1
958 1 54 ILE HG13 1 54 ILE MG . . 3.300 2.972 2.836 3.041 . 0 0 "[ . 1 . 2]" 1
959 1 54 ILE MG 1 55 ARG H . . 3.720 2.895 2.674 3.319 . 0 0 "[ . 1 . 2]" 1
960 1 54 ILE MG 1 55 ARG HA . . 4.060 3.151 3.005 3.492 . 0 0 "[ . 1 . 2]" 1
961 1 54 ILE MG 1 55 ARG QD . . 4.770 3.730 3.221 4.545 . 0 0 "[ . 1 . 2]" 1
962 1 54 ILE MG 1 56 GLU H . . 5.010 4.683 4.390 5.048 0.038 19 0 "[ . 1 . 2]" 1
963 1 54 ILE MG 1 57 SER H . . 4.470 4.414 4.286 4.493 0.023 17 0 "[ . 1 . 2]" 1
964 1 54 ILE MG 1 61 LEU QB . . 3.450 2.625 2.489 2.779 . 0 0 "[ . 1 . 2]" 1
965 1 54 ILE MG 1 62 ASN HA . . 5.170 4.749 4.487 5.034 . 0 0 "[ . 1 . 2]" 1
966 1 54 ILE MG 1 63 PRO HB3 . . 3.250 2.568 2.131 2.995 . 0 0 "[ . 1 . 2]" 1
967 1 54 ILE MG 1 63 PRO HD2 . . 4.100 3.885 3.722 4.133 0.033 13 0 "[ . 1 . 2]" 1
968 1 54 ILE MG 1 63 PRO HD3 . . 3.310 2.755 2.546 2.994 . 0 0 "[ . 1 . 2]" 1
969 1 54 ILE MG 1 63 PRO HG2 . . 3.440 3.355 3.220 3.528 0.088 19 0 "[ . 1 . 2]" 1
970 1 54 ILE MG 1 63 PRO HG3 . . 3.240 1.890 1.838 1.944 . 0 0 "[ . 1 . 2]" 1
971 1 55 ARG H 1 55 ARG HB2 . . 3.180 2.377 2.074 2.807 . 0 0 "[ . 1 . 2]" 1
972 1 55 ARG H 1 55 ARG QD . . 4.430 2.802 2.359 3.904 . 0 0 "[ . 1 . 2]" 1
973 1 55 ARG H 1 55 ARG HG2 . . 4.100 3.679 2.179 4.179 0.079 19 0 "[ . 1 . 2]" 1
974 1 55 ARG H 1 55 ARG HG3 . . 4.310 2.802 2.000 4.058 . 0 0 "[ . 1 . 2]" 1
975 1 55 ARG H 1 56 GLU H . . 3.650 2.745 2.611 2.891 . 0 0 "[ . 1 . 2]" 1
976 1 55 ARG H 1 57 SER H . . 5.320 4.134 3.963 4.320 . 0 0 "[ . 1 . 2]" 1
977 1 55 ARG H 1 63 PRO HD3 . . 5.190 4.590 4.167 4.831 . 0 0 "[ . 1 . 2]" 1
978 1 55 ARG H 1 63 PRO HG3 . . 4.830 3.368 2.939 3.719 . 0 0 "[ . 1 . 2]" 1
979 1 55 ARG HA 1 55 ARG QD . . 4.030 3.653 3.177 3.799 . 0 0 "[ . 1 . 2]" 1
980 1 55 ARG HA 1 55 ARG HG2 . . 3.790 3.081 2.588 3.554 . 0 0 "[ . 1 . 2]" 1
981 1 55 ARG HA 1 55 ARG HG3 . . 3.560 2.467 2.088 3.621 0.061 6 0 "[ . 1 . 2]" 1
982 1 55 ARG HA 1 61 LEU H . . 4.950 3.763 3.034 4.938 . 0 0 "[ . 1 . 2]" 1
983 1 55 ARG HA 1 61 LEU QB . . 4.630 4.429 4.189 4.624 . 0 0 "[ . 1 . 2]" 1
984 1 55 ARG HA 1 63 PRO HD3 . . 4.300 4.209 3.784 4.326 0.026 19 0 "[ . 1 . 2]" 1
985 1 55 ARG HB2 1 55 ARG QD . . 3.050 2.267 1.962 2.793 . 0 0 "[ . 1 . 2]" 1
986 1 55 ARG HB2 1 56 GLU H . . 3.890 2.910 2.436 3.290 . 0 0 "[ . 1 . 2]" 1
987 1 55 ARG HB2 1 56 GLU HG3 . . 4.410 3.859 3.502 4.405 . 0 0 "[ . 1 . 2]" 1
988 1 55 ARG HG3 1 56 GLU H . . 4.850 4.642 3.713 4.938 0.088 19 0 "[ . 1 . 2]" 1
989 1 55 ARG HG3 1 63 PRO HD2 . . 4.230 3.313 2.759 4.569 0.339 10 0 "[ . 1 . 2]" 1
990 1 56 GLU H 1 56 GLU HB2 . . 3.850 2.373 2.262 2.484 . 0 0 "[ . 1 . 2]" 1
991 1 56 GLU H 1 56 GLU HB3 . . 3.360 3.572 3.506 3.665 0.305 8 0 "[ . 1 . 2]" 1
992 1 56 GLU H 1 56 GLU HG2 . . 3.510 3.208 2.859 3.442 . 0 0 "[ . 1 . 2]" 1
993 1 56 GLU H 1 56 GLU HG3 . . 3.700 2.859 2.405 3.234 . 0 0 "[ . 1 . 2]" 1
994 1 56 GLU H 1 57 SER H . . 3.610 2.624 2.257 2.817 . 0 0 "[ . 1 . 2]" 1
995 1 56 GLU H 1 57 SER QB . . 5.040 4.215 3.792 4.840 . 0 0 "[ . 1 . 2]" 1
996 1 56 GLU HA 1 56 GLU HG2 . . 3.350 2.227 2.124 2.335 . 0 0 "[ . 1 . 2]" 1
997 1 56 GLU HA 1 56 GLU HG3 . . 3.850 3.376 3.120 3.463 . 0 0 "[ . 1 . 2]" 1
998 1 56 GLU HB2 1 57 SER H . . 4.770 3.478 2.845 4.124 . 0 0 "[ . 1 . 2]" 1
999 1 56 GLU HB3 1 57 SER H . . 4.550 4.116 3.664 4.507 . 0 0 "[ . 1 . 2]" 1
1000 1 56 GLU HG3 1 57 SER H . . 5.380 4.987 4.508 5.390 0.010 10 0 "[ . 1 . 2]" 1
1001 1 57 SER H 1 57 SER QB . . 3.390 2.285 2.002 2.745 . 0 0 "[ . 1 . 2]" 1
1002 1 57 SER H 1 57 SER HG . . 4.700 3.736 1.949 4.481 . 0 0 "[ . 1 . 2]" 1
1003 1 57 SER H 1 59 MET H . . 5.000 3.978 2.890 5.020 0.020 19 0 "[ . 1 . 2]" 1
1004 1 57 SER QB 1 59 MET ME . . 3.780 2.521 1.975 3.279 . 0 0 "[ . 1 . 2]" 1
1005 1 57 SER QB 1 59 MET HG3 . . 4.430 3.291 2.029 4.156 . 0 0 "[ . 1 . 2]" 1
1006 1 58 GLY H 1 59 MET H . . 5.460 2.983 1.916 3.875 . 0 0 "[ . 1 . 2]" 1
1007 1 59 MET H 1 59 MET HG3 . . 4.340 3.478 2.419 3.972 . 0 0 "[ . 1 . 2]" 1
1008 1 59 MET H 1 61 LEU QD . . 5.000 4.548 3.877 4.871 . 0 0 "[ . 1 . 2]" 1
1009 1 59 MET HA 1 59 MET HG2 . . 3.380 2.508 2.133 3.564 0.184 16 0 "[ . 1 . 2]" 1
1010 1 59 MET HA 1 61 LEU QD . . 4.320 3.785 2.774 4.237 . 0 0 "[ . 1 . 2]" 1
1011 1 59 MET HA 1 61 LEU HG . . 4.940 4.441 3.934 5.012 0.072 18 0 "[ . 1 . 2]" 1
1012 1 59 MET HB2 1 59 MET HG3 . . 3.010 2.401 2.271 2.884 . 0 0 "[ . 1 . 2]" 1
1013 1 59 MET HB2 1 61 LEU H . . 5.240 3.522 2.081 4.138 . 0 0 "[ . 1 . 2]" 1
1014 1 59 MET HB2 1 61 LEU QD . . 3.750 2.734 1.884 3.542 . 0 0 "[ . 1 . 2]" 1
1015 1 59 MET HB2 1 61 LEU HG . . 4.120 3.541 2.127 4.282 0.162 12 0 "[ . 1 . 2]" 1
1016 1 59 MET HB3 1 61 LEU H . . 4.570 3.509 1.938 5.204 0.634 3 2 "[ + . 1 .- 2]" 1
1017 1 59 MET HB3 1 61 LEU QB . . 4.470 3.461 2.416 5.177 0.707 16 2 "[ - . 1 .+ 2]" 1
1018 1 59 MET HB3 1 61 LEU QD . . 3.800 2.201 1.910 3.280 . 0 0 "[ . 1 . 2]" 1
1019 1 59 MET HB3 1 61 LEU HG . . 3.980 2.652 2.052 4.084 0.104 16 0 "[ . 1 . 2]" 1
1020 1 59 MET ME 1 59 MET HG3 . . 4.010 2.238 2.007 3.300 . 0 0 "[ . 1 . 2]" 1
1021 1 59 MET HG2 1 61 LEU HG . . 4.880 4.371 3.143 4.896 0.016 14 0 "[ . 1 . 2]" 1
1022 1 59 MET HG3 1 61 LEU QD . . 3.990 3.615 1.945 3.953 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ASN H 1 61 LEU H . . 4.570 3.056 2.468 3.851 . 0 0 "[ . 1 . 2]" 1
1024 1 60 ASN HA 1 61 LEU H . . 3.460 2.840 2.531 3.631 0.171 16 0 "[ . 1 . 2]" 1
1025 1 60 ASN HB2 1 61 LEU H . . 5.180 4.342 2.769 4.739 . 0 0 "[ . 1 . 2]" 1
1026 1 60 ASN HB3 1 61 LEU H . . 5.080 4.256 3.048 4.557 . 0 0 "[ . 1 . 2]" 1
1027 1 61 LEU H 1 61 LEU QB . . 3.440 2.376 2.163 3.116 . 0 0 "[ . 1 . 2]" 1
1028 1 61 LEU H 1 61 LEU QD . . 3.830 3.046 1.912 3.550 . 0 0 "[ . 1 . 2]" 1
1029 1 61 LEU H 1 61 LEU HG . . 3.490 3.154 2.728 3.543 0.053 12 0 "[ . 1 . 2]" 1
1030 1 61 LEU H 1 62 ASN H . . 4.900 4.552 4.467 4.651 . 0 0 "[ . 1 . 2]" 1
1031 1 61 LEU HA 1 61 LEU QD . . 3.270 2.182 1.835 2.450 . 0 0 "[ . 1 . 2]" 1
1032 1 61 LEU HA 1 62 ASN H . . 3.480 2.523 2.426 2.755 . 0 0 "[ . 1 . 2]" 1
1033 1 61 LEU QB 1 62 ASN H . . 4.430 2.350 1.933 2.537 . 0 0 "[ . 1 . 2]" 1
1034 1 61 LEU QB 1 63 PRO HD2 . . 5.470 4.678 4.316 4.880 . 0 0 "[ . 1 . 2]" 1
1035 1 61 LEU QB 1 63 PRO HD3 . . 4.330 3.182 2.813 3.411 . 0 0 "[ . 1 . 2]" 1
1036 1 61 LEU QD 1 62 ASN H . . 4.010 3.034 2.759 3.290 . 0 0 "[ . 1 . 2]" 1
1037 1 61 LEU QD 1 75 PRO HD2 . . 3.510 3.345 3.061 3.465 . 0 0 "[ . 1 . 2]" 1
1038 1 61 LEU QD 1 75 PRO HD3 . . 3.400 2.065 1.799 2.269 . 0 0 "[ . 1 . 2]" 1
1039 1 61 LEU QD 1 75 PRO HG3 . . 3.590 2.141 1.906 2.962 . 0 0 "[ . 1 . 2]" 1
1040 1 61 LEU HG 1 62 ASN H . . 5.370 4.734 4.353 5.041 . 0 0 "[ . 1 . 2]" 1
1041 1 62 ASN H 1 62 ASN HB3 . . 4.150 2.923 2.697 3.739 . 0 0 "[ . 1 . 2]" 1
1042 1 62 ASN H 1 63 PRO HD2 . . 5.480 4.533 4.163 4.661 . 0 0 "[ . 1 . 2]" 1
1043 1 62 ASN H 1 63 PRO HD3 . . 5.160 3.496 2.986 3.687 . 0 0 "[ . 1 . 2]" 1
1044 1 62 ASN HA 1 63 PRO HD2 . . 2.950 2.262 2.245 2.314 . 0 0 "[ . 1 . 2]" 1
1045 1 62 ASN HA 1 63 PRO HD3 . . 3.170 2.362 2.296 2.507 . 0 0 "[ . 1 . 2]" 1
1046 1 62 ASN HA 1 63 PRO HG2 . . 4.440 4.474 4.448 4.542 0.102 16 0 "[ . 1 . 2]" 1
1047 1 62 ASN HA 1 63 PRO HG3 . . 4.630 4.523 4.471 4.643 0.013 16 0 "[ . 1 . 2]" 1
1048 1 62 ASN HB2 1 63 PRO HD2 . . 4.820 4.736 4.226 4.906 0.086 18 0 "[ . 1 . 2]" 1
1049 1 62 ASN HB2 1 63 PRO HD3 . . 4.980 4.738 4.679 4.813 . 0 0 "[ . 1 . 2]" 1
1050 1 62 ASN HB3 1 63 PRO HD2 . . 4.760 4.788 4.221 4.929 0.169 19 0 "[ . 1 . 2]" 1
1051 1 62 ASN HB3 1 63 PRO HD3 . . 5.150 4.796 4.668 4.843 . 0 0 "[ . 1 . 2]" 1
1052 1 63 PRO HA 1 64 GLU H . . 3.290 2.245 2.190 2.310 . 0 0 "[ . 1 . 2]" 1
1053 1 63 PRO HA 1 70 ILE MG . . 4.220 4.109 3.696 4.254 0.034 16 0 "[ . 1 . 2]" 1
1054 1 63 PRO HA 1 72 VAL MG2 . . 4.310 2.698 1.983 3.292 . 0 0 "[ . 1 . 2]" 1
1055 1 63 PRO HA 1 73 PRO HD2 . . 4.260 3.044 2.631 3.661 . 0 0 "[ . 1 . 2]" 1
1056 1 63 PRO HA 1 73 PRO HD3 . . 4.310 3.247 2.646 4.269 . 0 0 "[ . 1 . 2]" 1
1057 1 63 PRO HB2 1 64 GLU H . . 3.970 3.258 3.048 3.469 . 0 0 "[ . 1 . 2]" 1
1058 1 63 PRO HB2 1 70 ILE MG . . 3.000 2.846 2.635 3.016 0.016 9 0 "[ . 1 . 2]" 1
1059 1 63 PRO HB3 1 64 GLU H . . 4.530 3.707 3.578 3.842 . 0 0 "[ . 1 . 2]" 1
1060 1 63 PRO HD3 1 72 VAL MG2 . . 4.660 4.279 3.994 4.588 . 0 0 "[ . 1 . 2]" 1
1061 1 64 GLU H 1 64 GLU QB . . 3.760 2.360 2.224 2.539 . 0 0 "[ . 1 . 2]" 1
1062 1 64 GLU H 1 64 GLU QG . . 3.990 3.160 2.475 3.831 . 0 0 "[ . 1 . 2]" 1
1063 1 64 GLU H 1 70 ILE MG . . 4.020 3.251 2.897 3.563 . 0 0 "[ . 1 . 2]" 1
1064 1 64 GLU H 1 71 ARG H . . 4.050 2.914 2.438 3.680 . 0 0 "[ . 1 . 2]" 1
1065 1 64 GLU H 1 71 ARG QB . . 4.560 3.155 2.692 3.944 . 0 0 "[ . 1 . 2]" 1
1066 1 64 GLU H 1 72 VAL HA . . 4.410 3.427 3.049 3.875 . 0 0 "[ . 1 . 2]" 1
1067 1 64 GLU H 1 72 VAL MG2 . . 4.080 3.364 2.665 4.033 . 0 0 "[ . 1 . 2]" 1
1068 1 64 GLU H 1 73 PRO HD2 . . 4.830 4.292 3.826 4.664 . 0 0 "[ . 1 . 2]" 1
1069 1 64 GLU H 1 73 PRO HD3 . . 4.970 3.480 3.102 3.970 . 0 0 "[ . 1 . 2]" 1
1070 1 64 GLU HA 1 65 VAL H . . 3.270 2.612 2.391 2.670 . 0 0 "[ . 1 . 2]" 1
1071 1 64 GLU HA 1 65 VAL MG1 . . 4.660 3.929 3.502 4.315 . 0 0 "[ . 1 . 2]" 1
1072 1 64 GLU QB 1 65 VAL H . . 3.720 2.330 2.096 3.472 . 0 0 "[ . 1 . 2]" 1
1073 1 64 GLU QB 1 71 ARG H . . 4.360 2.781 2.495 3.997 . 0 0 "[ . 1 . 2]" 1
1074 1 64 GLU QB 1 71 ARG QB . . 4.110 1.993 1.785 3.009 . 0 0 "[ . 1 . 2]" 1
1075 1 64 GLU QB 1 71 ARG QD . . 4.150 3.469 3.076 3.947 . 0 0 "[ . 1 . 2]" 1
1076 1 64 GLU QG 1 65 VAL H . . 4.290 3.539 2.413 4.097 . 0 0 "[ . 1 . 2]" 1
1077 1 64 GLU QG 1 71 ARG H . . 5.150 4.319 1.927 4.721 . 0 0 "[ . 1 . 2]" 1
1078 1 64 GLU QG 1 71 ARG QB . . 4.560 3.071 1.683 3.712 . 0 0 "[ . 1 . 2]" 1
1079 1 65 VAL H 1 65 VAL HB . . 3.730 3.194 3.013 3.344 . 0 0 "[ . 1 . 2]" 1
1080 1 65 VAL H 1 65 VAL MG1 . . 3.420 2.504 2.235 2.710 . 0 0 "[ . 1 . 2]" 1
1081 1 65 VAL H 1 65 VAL MG2 . . 4.150 4.003 3.911 4.028 . 0 0 "[ . 1 . 2]" 1
1082 1 65 VAL HA 1 65 VAL MG2 . . 3.500 2.190 2.055 2.376 . 0 0 "[ . 1 . 2]" 1
1083 1 65 VAL HA 1 66 GLU H . . 3.080 2.184 2.182 2.200 . 0 0 "[ . 1 . 2]" 1
1084 1 65 VAL HA 1 70 ILE HA . . 4.850 2.243 1.977 2.519 . 0 0 "[ . 1 . 2]" 1
1085 1 65 VAL HB 1 66 GLU H . . 4.670 4.482 4.252 4.597 . 0 0 "[ . 1 . 2]" 1
1086 1 65 VAL HB 1 70 ILE HA . . 4.590 4.026 3.253 4.510 . 0 0 "[ . 1 . 2]" 1
1087 1 65 VAL MG1 1 66 GLU H . . 4.040 3.944 3.811 4.090 0.050 18 0 "[ . 1 . 2]" 1
1088 1 65 VAL MG1 1 66 GLU HA . . 4.820 3.732 3.538 3.990 . 0 0 "[ . 1 . 2]" 1
1089 1 65 VAL MG2 1 66 GLU H . . 3.500 2.996 2.587 3.236 . 0 0 "[ . 1 . 2]" 1
1090 1 65 VAL MG2 1 69 LEU H . . 4.380 4.025 3.377 4.391 0.011 19 0 "[ . 1 . 2]" 1
1091 1 65 VAL MG2 1 71 ARG H . . 4.680 4.705 4.693 4.723 0.043 19 0 "[ . 1 . 2]" 1
1092 1 66 GLU H 1 66 GLU HB2 . . 4.000 2.629 2.509 3.535 . 0 0 "[ . 1 . 2]" 1
1093 1 66 GLU H 1 66 GLU HB3 . . 3.880 3.382 2.776 3.643 . 0 0 "[ . 1 . 2]" 1
1094 1 66 GLU H 1 66 GLU HG3 . . 4.650 4.178 2.098 4.633 . 0 0 "[ . 1 . 2]" 1
1095 1 66 GLU H 1 69 LEU H . . 4.170 3.030 2.860 3.285 . 0 0 "[ . 1 . 2]" 1
1096 1 66 GLU H 1 69 LEU HB2 . . 4.870 4.014 3.692 4.519 . 0 0 "[ . 1 . 2]" 1
1097 1 66 GLU H 1 69 LEU HB3 . . 5.000 4.003 3.693 4.436 . 0 0 "[ . 1 . 2]" 1
1098 1 66 GLU H 1 70 ILE HA . . 4.260 3.334 3.022 3.582 . 0 0 "[ . 1 . 2]" 1
1099 1 66 GLU H 1 71 ARG H . . 4.960 4.394 4.110 4.800 . 0 0 "[ . 1 . 2]" 1
1100 1 66 GLU HA 1 66 GLU HG3 . . 4.130 3.009 2.106 3.694 . 0 0 "[ . 1 . 2]" 1
1101 1 66 GLU HB2 1 66 GLU HG3 . . 2.810 2.487 2.270 3.034 0.224 13 0 "[ . 1 . 2]" 1
1102 1 66 GLU HB3 1 66 GLU HG2 . . 2.870 2.708 2.295 3.056 0.186 18 0 "[ . 1 . 2]" 1
1103 1 67 GLY HA2 1 68 THR MG . . 4.930 3.816 3.724 3.941 . 0 0 "[ . 1 . 2]" 1
1104 1 67 GLY HA2 1 69 LEU H . . 4.770 4.780 4.730 4.847 0.077 19 0 "[ . 1 . 2]" 1
1105 1 67 GLY HA3 1 68 THR H . . 3.590 2.377 2.330 2.423 . 0 0 "[ . 1 . 2]" 1
1106 1 67 GLY HA3 1 68 THR MG . . 4.730 3.787 3.719 3.837 . 0 0 "[ . 1 . 2]" 1
1107 1 67 GLY HA3 1 69 LEU H . . 4.220 3.801 3.693 3.916 . 0 0 "[ . 1 . 2]" 1
1108 1 68 THR H 1 68 THR MG . . 4.140 3.295 3.217 3.385 . 0 0 "[ . 1 . 2]" 1
1109 1 68 THR H 1 69 LEU H . . 3.520 1.892 1.882 1.914 . 0 0 "[ . 1 . 2]" 1
1110 1 68 THR HA 1 68 THR MG . . 2.670 2.286 2.210 2.344 . 0 0 "[ . 1 . 2]" 1
1111 1 68 THR HB 1 69 LEU QD . . 4.780 3.507 3.340 3.943 . 0 0 "[ . 1 . 2]" 1
1112 1 68 THR MG 1 69 LEU H . . 4.540 4.425 4.399 4.454 . 0 0 "[ . 1 . 2]" 1
1113 1 69 LEU H 1 69 LEU HB2 . . 3.430 2.326 2.242 2.468 . 0 0 "[ . 1 . 2]" 1
1114 1 69 LEU H 1 69 LEU HB3 . . 3.580 3.369 3.319 3.465 . 0 0 "[ . 1 . 2]" 1
1115 1 69 LEU H 1 69 LEU QD . . 4.110 3.059 2.799 3.465 . 0 0 "[ . 1 . 2]" 1
1116 1 69 LEU H 1 69 LEU HG . . 4.420 4.441 4.326 4.480 0.060 6 0 "[ . 1 . 2]" 1
1117 1 69 LEU H 1 70 ILE H . . 4.710 4.462 4.071 4.556 . 0 0 "[ . 1 . 2]" 1
1118 1 69 LEU HA 1 69 LEU QD . . 3.530 2.204 1.878 2.826 . 0 0 "[ . 1 . 2]" 1
1119 1 69 LEU HA 1 70 ILE H . . 3.290 2.311 2.176 2.364 . 0 0 "[ . 1 . 2]" 1
1120 1 69 LEU HB2 1 69 LEU QD . . 3.240 2.279 1.959 2.453 . 0 0 "[ . 1 . 2]" 1
1121 1 69 LEU HB2 1 70 ILE H . . 5.070 4.310 4.181 4.692 . 0 0 "[ . 1 . 2]" 1
1122 1 69 LEU HB3 1 69 LEU QD . . 3.130 2.169 1.944 2.309 . 0 0 "[ . 1 . 2]" 1
1123 1 69 LEU HB3 1 70 ILE H . . 4.390 3.183 2.923 4.052 . 0 0 "[ . 1 . 2]" 1
1124 1 69 LEU QD 1 70 ILE H . . 4.680 2.779 2.029 4.183 . 0 0 "[ . 1 . 2]" 1
1125 1 69 LEU HG 1 70 ILE H . . 4.570 4.325 3.510 4.627 0.057 6 0 "[ . 1 . 2]" 1
1126 1 70 ILE H 1 70 ILE HB . . 3.550 2.630 2.248 2.782 . 0 0 "[ . 1 . 2]" 1
1127 1 70 ILE H 1 70 ILE MD . . 4.330 3.966 3.514 4.264 . 0 0 "[ . 1 . 2]" 1
1128 1 70 ILE H 1 70 ILE HG12 . . 3.790 3.694 3.530 3.803 0.013 15 0 "[ . 1 . 2]" 1
1129 1 70 ILE H 1 70 ILE HG13 . . 3.840 2.641 2.357 2.948 . 0 0 "[ . 1 . 2]" 1
1130 1 70 ILE H 1 70 ILE MG . . 4.240 3.836 3.657 3.905 . 0 0 "[ . 1 . 2]" 1
1131 1 70 ILE H 1 71 ARG H . . 5.050 4.359 4.038 4.620 . 0 0 "[ . 1 . 2]" 1
1132 1 70 ILE HA 1 70 ILE MD . . 4.220 3.809 3.709 3.864 . 0 0 "[ . 1 . 2]" 1
1133 1 70 ILE HA 1 70 ILE HG13 . . 4.260 3.150 2.865 3.295 . 0 0 "[ . 1 . 2]" 1
1134 1 70 ILE HA 1 70 ILE MG . . 3.350 2.407 2.304 2.516 . 0 0 "[ . 1 . 2]" 1
1135 1 70 ILE HA 1 71 ARG H . . 3.120 2.205 2.176 2.263 . 0 0 "[ . 1 . 2]" 1
1136 1 70 ILE HB 1 70 ILE MD . . 3.160 2.384 2.212 2.504 . 0 0 "[ . 1 . 2]" 1
1137 1 70 ILE MD 1 71 ARG H . . 5.500 5.129 4.832 5.465 . 0 0 "[ . 1 . 2]" 1
1138 1 70 ILE HG12 1 71 ARG H . . 4.990 4.550 4.050 4.826 . 0 0 "[ . 1 . 2]" 1
1139 1 70 ILE MG 1 71 ARG H . . 3.450 2.600 2.101 3.175 . 0 0 "[ . 1 . 2]" 1
1140 1 70 ILE MG 1 71 ARG HA . . 4.270 3.907 3.569 4.223 . 0 0 "[ . 1 . 2]" 1
1141 1 70 ILE MG 1 72 VAL H . . 4.990 4.324 4.103 4.822 . 0 0 "[ . 1 . 2]" 1
1142 1 70 ILE MG 1 72 VAL HB . . 4.230 4.145 3.939 4.257 0.027 15 0 "[ . 1 . 2]" 1
1143 1 71 ARG H 1 71 ARG QB . . 3.690 2.281 2.170 2.439 . 0 0 "[ . 1 . 2]" 1
1144 1 71 ARG H 1 71 ARG QD . . 4.990 4.624 4.219 4.785 . 0 0 "[ . 1 . 2]" 1
1145 1 71 ARG H 1 71 ARG HG2 . . 4.440 4.467 4.255 4.758 0.318 3 0 "[ . 1 . 2]" 1
1146 1 71 ARG H 1 71 ARG HG3 . . 4.860 4.096 3.761 4.444 . 0 0 "[ . 1 . 2]" 1
1147 1 71 ARG H 1 72 VAL H . . 5.020 4.394 4.273 4.510 . 0 0 "[ . 1 . 2]" 1
1148 1 71 ARG H 1 72 VAL MG2 . . 4.310 4.324 4.197 4.390 0.080 15 0 "[ . 1 . 2]" 1
1149 1 71 ARG HA 1 71 ARG QD . . 4.700 3.862 3.338 4.029 . 0 0 "[ . 1 . 2]" 1
1150 1 71 ARG HA 1 72 VAL H . . 3.140 2.239 2.225 2.282 . 0 0 "[ . 1 . 2]" 1
1151 1 71 ARG QB 1 71 ARG QD . . 3.150 2.082 2.009 2.204 . 0 0 "[ . 1 . 2]" 1
1152 1 71 ARG QB 1 72 VAL H . . 4.930 3.657 3.460 3.868 . 0 0 "[ . 1 . 2]" 1
1153 1 71 ARG QD 1 72 VAL H . . 5.500 4.829 4.225 5.144 . 0 0 "[ . 1 . 2]" 1
1154 1 71 ARG HG2 1 72 VAL H . . 4.690 3.305 2.844 4.059 . 0 0 "[ . 1 . 2]" 1
1155 1 71 ARG HG3 1 72 VAL H . . 4.990 4.276 3.159 4.898 . 0 0 "[ . 1 . 2]" 1
1156 1 72 VAL H 1 72 VAL HB . . 3.800 2.399 2.287 2.582 . 0 0 "[ . 1 . 2]" 1
1157 1 72 VAL H 1 72 VAL MG1 . . 3.410 3.489 3.441 3.548 0.138 6 0 "[ . 1 . 2]" 1
1158 1 72 VAL H 1 72 VAL MG2 . . 4.410 3.344 3.213 3.502 . 0 0 "[ . 1 . 2]" 1
1159 1 72 VAL H 1 73 PRO HD2 . . 5.150 4.746 4.662 4.828 . 0 0 "[ . 1 . 2]" 1
1160 1 72 VAL H 1 73 PRO HD3 . . 5.070 3.839 3.706 3.991 . 0 0 "[ . 1 . 2]" 1
1161 1 72 VAL HA 1 72 VAL MG1 . . 3.370 2.704 2.663 2.733 . 0 0 "[ . 1 . 2]" 1
1162 1 72 VAL HA 1 72 VAL MG2 . . 3.290 2.193 2.047 2.244 . 0 0 "[ . 1 . 2]" 1
1163 1 72 VAL HA 1 73 PRO HD2 . . 3.220 2.183 2.180 2.196 . 0 0 "[ . 1 . 2]" 1
1164 1 72 VAL HA 1 73 PRO HD3 . . 3.870 2.158 2.078 2.181 . 0 0 "[ . 1 . 2]" 1
1165 1 72 VAL HA 1 73 PRO HG3 . . 4.550 4.343 4.285 4.361 . 0 0 "[ . 1 . 2]" 1
1166 1 72 VAL MG1 1 73 PRO HA . . 3.930 3.981 3.952 4.012 0.082 16 0 "[ . 1 . 2]" 1
1167 1 72 VAL MG2 1 73 PRO HD2 . . 4.080 3.567 3.452 3.622 . 0 0 "[ . 1 . 2]" 1
1168 1 72 VAL MG2 1 73 PRO HD3 . . 4.000 3.906 3.832 3.940 . 0 0 "[ . 1 . 2]" 1
1169 1 73 PRO HA 1 74 ILE H . . 3.140 2.184 2.149 2.233 . 0 0 "[ . 1 . 2]" 1
1170 1 73 PRO HB2 1 74 ILE H . . 4.100 3.520 3.290 3.829 . 0 0 "[ . 1 . 2]" 1
1171 1 73 PRO HB3 1 74 ILE H . . 4.490 3.879 3.726 4.101 . 0 0 "[ . 1 . 2]" 1
1172 1 74 ILE H 1 74 ILE HB . . 3.420 2.420 2.256 2.516 . 0 0 "[ . 1 . 2]" 1
1173 1 74 ILE H 1 74 ILE MD . . 4.360 3.792 3.493 4.248 . 0 0 "[ . 1 . 2]" 1
1174 1 74 ILE H 1 74 ILE HG12 . . 3.900 2.404 1.990 3.450 . 0 0 "[ . 1 . 2]" 1
1175 1 74 ILE H 1 74 ILE HG13 . . 3.810 3.293 2.883 3.896 0.086 16 0 "[ . 1 . 2]" 1
1176 1 74 ILE H 1 74 ILE MG . . 3.970 3.725 3.649 3.759 . 0 0 "[ . 1 . 2]" 1
1177 1 74 ILE H 1 75 PRO HD2 . . 5.100 5.038 5.029 5.044 . 0 0 "[ . 1 . 2]" 1
1178 1 74 ILE H 1 75 PRO HD3 . . 5.390 4.675 4.659 4.712 . 0 0 "[ . 1 . 2]" 1
1179 1 74 ILE HA 1 74 ILE MD . . 3.360 2.432 2.059 3.413 0.053 15 0 "[ . 1 . 2]" 1
1180 1 74 ILE HA 1 74 ILE HG12 . . 3.960 2.723 2.186 2.957 . 0 0 "[ . 1 . 2]" 1
1181 1 74 ILE HA 1 74 ILE HG13 . . 3.910 3.730 3.299 3.836 . 0 0 "[ . 1 . 2]" 1
1182 1 74 ILE HA 1 74 ILE MG . . 3.210 2.452 2.353 2.609 . 0 0 "[ . 1 . 2]" 1
1183 1 74 ILE HA 1 75 PRO HD2 . . 3.020 2.516 2.500 2.569 . 0 0 "[ . 1 . 2]" 1
1184 1 74 ILE HA 1 75 PRO HD3 . . 3.090 1.919 1.915 1.932 . 0 0 "[ . 1 . 2]" 1
1185 1 74 ILE HB 1 74 ILE MD . . 3.380 3.107 2.692 3.198 . 0 0 "[ . 1 . 2]" 1
1186 1 74 ILE HB 1 75 PRO HD2 . . 4.090 4.032 3.960 4.144 0.054 18 0 "[ . 1 . 2]" 1
1187 1 74 ILE HB 1 75 PRO HD3 . . 4.510 4.567 4.530 4.622 0.112 18 0 "[ . 1 . 2]" 1
1188 1 74 ILE MD 1 75 PRO HD2 . . 3.240 3.095 2.553 3.390 0.150 20 0 "[ . 1 . 2]" 1
1189 1 74 ILE MD 1 75 PRO HD3 . . 4.310 3.307 2.737 4.143 . 0 0 "[ . 1 . 2]" 1
1190 1 74 ILE HG12 1 74 ILE MG . . 3.400 3.150 2.772 3.229 . 0 0 "[ . 1 . 2]" 1
1191 1 74 ILE HG13 1 74 ILE MG . . 3.690 2.726 2.576 3.144 . 0 0 "[ . 1 . 2]" 1
1192 1 74 ILE MG 1 75 PRO HB2 . . 4.960 4.432 4.282 4.515 . 0 0 "[ . 1 . 2]" 1
1193 1 74 ILE MG 1 75 PRO HB3 . . 4.780 4.783 4.644 4.852 0.072 10 0 "[ . 1 . 2]" 1
1194 1 74 ILE MG 1 75 PRO HD2 . . 3.510 1.797 1.774 1.859 . 0 0 "[ . 1 . 2]" 1
1195 1 74 ILE MG 1 75 PRO HD3 . . 4.070 2.878 2.815 3.001 . 0 0 "[ . 1 . 2]" 1
1196 1 76 LYS H 1 76 LYS HG2 . . 5.230 4.057 1.984 5.091 . 0 0 "[ . 1 . 2]" 1
1197 1 76 LYS HA 1 77 VAL QG . . 4.700 3.737 3.100 4.197 . 0 0 "[ . 1 . 2]" 1
1198 1 76 LYS HD3 1 76 LYS HG2 . . 2.500 2.442 2.266 3.018 0.518 15 2 "[- . 1 + 2]" 1
1199 1 77 VAL HA 1 77 VAL QG . . 3.330 2.181 2.034 2.405 . 0 0 "[ . 1 . 2]" 1
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