NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
417146 |
2dmb   |
10325 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dmb
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 1748
_Distance_constraint_stats_list.Viol_count 364
_Distance_constraint_stats_list.Viol_total 94.047
_Distance_constraint_stats_list.Viol_max 0.118
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.015 0.015 8 0 "[ . 1 . 2]"
1 10 ASP 0.048 0.017 5 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 2 0 "[ . 1 . 2]"
1 12 SER 0.028 0.015 13 0 "[ . 1 . 2]"
1 13 LYS 0.036 0.009 5 0 "[ . 1 . 2]"
1 14 CYS 0.048 0.008 18 0 "[ . 1 . 2]"
1 15 LEU 0.381 0.033 10 0 "[ . 1 . 2]"
1 16 ALA 0.241 0.030 18 0 "[ . 1 . 2]"
1 17 THR 0.009 0.006 5 0 "[ . 1 . 2]"
1 18 GLY 0.006 0.006 5 0 "[ . 1 . 2]"
1 19 PRO 0.006 0.006 8 0 "[ . 1 . 2]"
1 20 GLY 0.006 0.006 8 0 "[ . 1 . 2]"
1 21 ILE 0.004 0.004 9 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.006 0.002 18 0 "[ . 1 . 2]"
1 24 THR 0.005 0.001 7 0 "[ . 1 . 2]"
1 25 VAL 0.002 0.001 11 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.005 0.004 5 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.003 0.002 6 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.086 0.078 9 0 "[ . 1 . 2]"
1 32 GLY 0.005 0.002 9 0 "[ . 1 . 2]"
1 33 PHE 0.005 0.004 9 0 "[ . 1 . 2]"
1 34 VAL 0.002 0.002 17 0 "[ . 1 . 2]"
1 35 VAL 0.004 0.002 17 0 "[ . 1 . 2]"
1 36 ASP 0.097 0.023 17 0 "[ . 1 . 2]"
1 37 ALA 0.002 0.002 17 0 "[ . 1 . 2]"
1 38 LYS 0.285 0.118 20 0 "[ . 1 . 2]"
1 39 THR 0.004 0.003 17 0 "[ . 1 . 2]"
1 40 ALA 0.038 0.017 5 0 "[ . 1 . 2]"
1 41 GLY 0.011 0.008 2 0 "[ . 1 . 2]"
1 42 LYS 0.066 0.014 9 0 "[ . 1 . 2]"
1 43 GLY 0.063 0.038 13 0 "[ . 1 . 2]"
1 44 LYS 0.178 0.047 11 0 "[ . 1 . 2]"
1 45 VAL 0.022 0.007 15 0 "[ . 1 . 2]"
1 46 THR 0.021 0.012 15 0 "[ . 1 . 2]"
1 47 CYS 0.003 0.003 15 0 "[ . 1 . 2]"
1 48 THR 0.001 0.001 19 0 "[ . 1 . 2]"
1 49 VAL 0.013 0.004 15 0 "[ . 1 . 2]"
1 50 LEU 0.035 0.006 13 0 "[ . 1 . 2]"
1 51 THR 0.008 0.006 13 0 "[ . 1 . 2]"
1 52 PRO 0.001 0.001 7 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.002 0.001 8 0 "[ . 1 . 2]"
1 55 THR 0.235 0.071 3 0 "[ . 1 . 2]"
1 56 GLU 0.312 0.084 15 0 "[ . 1 . 2]"
1 57 ALA 0.018 0.006 15 0 "[ . 1 . 2]"
1 58 GLU 0.017 0.008 14 0 "[ . 1 . 2]"
1 59 ALA 0.022 0.012 8 0 "[ . 1 . 2]"
1 60 ASP 0.031 0.012 8 0 "[ . 1 . 2]"
1 61 VAL 0.015 0.006 17 0 "[ . 1 . 2]"
1 62 ILE 0.059 0.044 17 0 "[ . 1 . 2]"
1 63 GLU 1.746 0.097 1 0 "[ . 1 . 2]"
1 64 ASN 1.963 0.097 1 0 "[ . 1 . 2]"
1 65 GLU 0.012 0.012 10 0 "[ . 1 . 2]"
1 66 ASP 0.012 0.012 10 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.002 0.001 19 0 "[ . 1 . 2]"
1 69 TYR 0.005 0.003 18 0 "[ . 1 . 2]"
1 70 ASP 0.056 0.044 17 0 "[ . 1 . 2]"
1 71 ILE 0.004 0.002 9 0 "[ . 1 . 2]"
1 72 PHE 0.008 0.003 1 0 "[ . 1 . 2]"
1 73 TYR 0.001 0.001 9 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.022 0.010 15 0 "[ . 1 . 2]"
1 76 ALA 0.001 0.001 15 0 "[ . 1 . 2]"
1 77 LYS 0.159 0.035 19 0 "[ . 1 . 2]"
1 78 PRO 0.076 0.035 19 0 "[ . 1 . 2]"
1 79 GLY 0.002 0.002 19 0 "[ . 1 . 2]"
1 80 THR 0.002 0.001 7 0 "[ . 1 . 2]"
1 81 TYR 0.006 0.004 18 0 "[ . 1 . 2]"
1 82 VAL 0.011 0.003 18 0 "[ . 1 . 2]"
1 83 ILE 0.026 0.007 11 0 "[ . 1 . 2]"
1 84 TYR 0.001 0.001 13 0 "[ . 1 . 2]"
1 85 VAL 0.001 0.001 2 0 "[ . 1 . 2]"
1 86 ARG 0.037 0.007 15 0 "[ . 1 . 2]"
1 87 PHE 0.007 0.002 8 0 "[ . 1 . 2]"
1 88 GLY 0.003 0.001 15 0 "[ . 1 . 2]"
1 89 GLY 0.008 0.005 11 0 "[ . 1 . 2]"
1 90 VAL 0.045 0.012 15 0 "[ . 1 . 2]"
1 91 ASP 0.317 0.034 12 0 "[ . 1 . 2]"
1 92 ILE 0.302 0.038 8 0 "[ . 1 . 2]"
1 93 PRO 0.036 0.015 13 0 "[ . 1 . 2]"
1 94 ASN 0.024 0.007 3 0 "[ . 1 . 2]"
1 95 SER 0.545 0.038 8 0 "[ . 1 . 2]"
1 96 PRO 0.001 0.001 13 0 "[ . 1 . 2]"
1 97 PHE 0.041 0.017 8 0 "[ . 1 . 2]"
1 98 THR 0.040 0.011 8 0 "[ . 1 . 2]"
1 99 VAL 0.009 0.005 14 0 "[ . 1 . 2]"
1 100 MET 0.004 0.002 19 0 "[ . 1 . 2]"
1 101 ALA 0.001 0.001 7 0 "[ . 1 . 2]"
1 102 THR 0.006 0.004 5 0 "[ . 1 . 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLU 0.003 0.003 10 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 8 THR H 1 9 GLY H . . 4.530 3.629 1.959 4.438 . 0 0 "[ . 1 . 2]" 1
2 1 8 THR HB 1 9 GLY H . . 4.150 3.324 2.348 4.079 . 0 0 "[ . 1 . 2]" 1
3 1 8 THR MG 1 9 GLY H . . 4.530 3.691 2.295 4.214 . 0 0 "[ . 1 . 2]" 1
4 1 9 GLY H 1 10 ASP H . . 4.440 4.180 3.489 4.455 0.015 8 0 "[ . 1 . 2]" 1
5 1 9 GLY H 1 87 PHE QE . . 5.200 4.403 2.631 5.168 . 0 0 "[ . 1 . 2]" 1
6 1 9 GLY QA 1 10 ASP H . . 2.990 2.184 2.111 2.282 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLY QA 1 41 GLY QA . . 4.120 2.842 2.027 3.357 . 0 0 "[ . 1 . 2]" 1
8 1 9 GLY QA 1 87 PHE QE . . 3.990 2.445 1.986 2.920 . 0 0 "[ . 1 . 2]" 1
9 1 9 GLY HA2 1 10 ASP H . . 3.460 2.577 2.141 3.351 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLY HA2 1 42 LYS H . . 3.800 3.630 3.090 3.798 . 0 0 "[ . 1 . 2]" 1
11 1 9 GLY HA3 1 10 ASP H . . 3.460 2.669 2.152 3.370 . 0 0 "[ . 1 . 2]" 1
12 1 9 GLY HA3 1 42 LYS H . . 3.800 3.274 2.611 3.795 . 0 0 "[ . 1 . 2]" 1
13 1 10 ASP H 1 10 ASP HB2 . . 3.900 2.787 2.288 3.774 . 0 0 "[ . 1 . 2]" 1
14 1 10 ASP H 1 10 ASP QB . . 3.400 2.633 2.262 3.069 . 0 0 "[ . 1 . 2]" 1
15 1 10 ASP H 1 10 ASP HB3 . . 3.900 3.539 2.819 3.902 0.002 16 0 "[ . 1 . 2]" 1
16 1 10 ASP H 1 40 ALA HA . . 4.320 3.172 2.756 3.558 . 0 0 "[ . 1 . 2]" 1
17 1 10 ASP H 1 40 ALA MB . . 4.020 3.559 3.085 4.021 0.001 8 0 "[ . 1 . 2]" 1
18 1 10 ASP H 1 42 LYS H . . 5.350 4.924 4.377 5.294 . 0 0 "[ . 1 . 2]" 1
19 1 10 ASP H 1 87 PHE QE . . 3.890 2.767 2.068 3.852 . 0 0 "[ . 1 . 2]" 1
20 1 10 ASP HA 1 11 ALA H . . 2.930 2.284 2.171 2.450 . 0 0 "[ . 1 . 2]" 1
21 1 10 ASP HA 1 11 ALA HA . . 4.420 4.369 4.347 4.400 . 0 0 "[ . 1 . 2]" 1
22 1 10 ASP HA 1 11 ALA MB . . 4.140 3.888 3.825 3.956 . 0 0 "[ . 1 . 2]" 1
23 1 10 ASP HA 1 12 SER H . . 4.390 4.288 4.008 4.392 0.002 13 0 "[ . 1 . 2]" 1
24 1 10 ASP QB 1 12 SER H . . 4.630 3.546 3.099 4.185 . 0 0 "[ . 1 . 2]" 1
25 1 10 ASP QB 1 13 LYS H . . 4.100 2.919 2.733 3.441 . 0 0 "[ . 1 . 2]" 1
26 1 10 ASP QB 1 13 LYS HB2 . . 4.820 2.990 2.459 4.494 . 0 0 "[ . 1 . 2]" 1
27 1 10 ASP QB 1 13 LYS HG2 . . 4.210 2.355 1.973 3.377 . 0 0 "[ . 1 . 2]" 1
28 1 10 ASP QB 1 40 ALA HA . . 4.200 2.779 2.061 4.184 . 0 0 "[ . 1 . 2]" 1
29 1 10 ASP HB2 1 11 ALA H . . 4.340 3.821 2.393 4.160 . 0 0 "[ . 1 . 2]" 1
30 1 10 ASP HB2 1 12 SER H . . 5.360 4.777 3.153 5.322 . 0 0 "[ . 1 . 2]" 1
31 1 10 ASP HB2 1 13 LYS H . . 4.900 3.751 2.845 4.797 . 0 0 "[ . 1 . 2]" 1
32 1 10 ASP HB2 1 13 LYS HG2 . . 5.010 2.954 2.164 3.992 . 0 0 "[ . 1 . 2]" 1
33 1 10 ASP HB2 1 13 LYS HG3 . . 4.730 2.802 2.015 4.466 . 0 0 "[ . 1 . 2]" 1
34 1 10 ASP HB2 1 40 ALA HA . . 4.960 3.073 2.072 4.733 . 0 0 "[ . 1 . 2]" 1
35 1 10 ASP HB3 1 11 ALA H . . 4.340 3.057 2.682 3.762 . 0 0 "[ . 1 . 2]" 1
36 1 10 ASP HB3 1 12 SER H . . 5.360 3.798 3.154 4.901 . 0 0 "[ . 1 . 2]" 1
37 1 10 ASP HB3 1 13 LYS H . . 4.900 3.218 2.787 4.858 . 0 0 "[ . 1 . 2]" 1
38 1 10 ASP HB3 1 13 LYS HG2 . . 5.010 2.621 2.016 4.276 . 0 0 "[ . 1 . 2]" 1
39 1 10 ASP HB3 1 13 LYS HG3 . . 4.730 3.179 2.233 4.739 0.009 5 0 "[ . 1 . 2]" 1
40 1 10 ASP HB3 1 40 ALA HA . . 4.960 3.920 2.506 4.977 0.017 5 0 "[ . 1 . 2]" 1
41 1 11 ALA H 1 11 ALA MB . . 3.030 2.278 2.122 2.412 . 0 0 "[ . 1 . 2]" 1
42 1 11 ALA H 1 12 SER H . . 3.570 2.243 2.010 2.405 . 0 0 "[ . 1 . 2]" 1
43 1 11 ALA H 1 12 SER HA . . 5.020 4.879 4.674 5.014 . 0 0 "[ . 1 . 2]" 1
44 1 11 ALA H 1 13 LYS H . . 4.730 3.705 3.485 3.976 . 0 0 "[ . 1 . 2]" 1
45 1 11 ALA H 1 87 PHE QD . . 4.250 3.934 3.267 4.250 . 2 0 "[ . 1 . 2]" 1
46 1 11 ALA H 1 90 VAL HB . . 4.850 3.970 3.094 4.726 . 0 0 "[ . 1 . 2]" 1
47 1 11 ALA H 1 90 VAL MG1 . . 4.520 3.088 2.085 4.048 . 0 0 "[ . 1 . 2]" 1
48 1 11 ALA HA 1 13 LYS H . . 4.490 3.895 3.582 4.228 . 0 0 "[ . 1 . 2]" 1
49 1 11 ALA HA 1 14 CYS H . . 4.290 3.179 2.910 3.355 . 0 0 "[ . 1 . 2]" 1
50 1 11 ALA HA 1 40 ALA MB . . 4.460 3.579 3.140 4.006 . 0 0 "[ . 1 . 2]" 1
51 1 11 ALA HA 1 87 PHE H . . 4.990 4.794 4.292 4.976 . 0 0 "[ . 1 . 2]" 1
52 1 11 ALA HA 1 87 PHE HB2 . . 4.060 3.464 2.838 4.047 . 0 0 "[ . 1 . 2]" 1
53 1 11 ALA HA 1 87 PHE QB . . 3.460 2.455 2.018 2.790 . 0 0 "[ . 1 . 2]" 1
54 1 11 ALA HA 1 87 PHE HB3 . . 4.060 2.517 2.035 2.847 . 0 0 "[ . 1 . 2]" 1
55 1 11 ALA HA 1 87 PHE QD . . 3.660 2.863 2.305 3.463 . 0 0 "[ . 1 . 2]" 1
56 1 11 ALA HA 1 92 ILE MG . . 4.120 3.069 2.776 3.632 . 0 0 "[ . 1 . 2]" 1
57 1 11 ALA MB 1 12 SER H . . 3.720 2.545 2.298 2.755 . 0 0 "[ . 1 . 2]" 1
58 1 11 ALA MB 1 12 SER HA . . 4.300 3.688 3.616 3.841 . 0 0 "[ . 1 . 2]" 1
59 1 11 ALA MB 1 14 CYS H . . 4.650 4.305 4.164 4.482 . 0 0 "[ . 1 . 2]" 1
60 1 11 ALA MB 1 87 PHE H . . 3.870 2.969 2.575 3.198 . 0 0 "[ . 1 . 2]" 1
61 1 11 ALA MB 1 87 PHE HB2 . . 3.900 3.239 2.297 3.736 . 0 0 "[ . 1 . 2]" 1
62 1 11 ALA MB 1 87 PHE QB . . 3.300 2.066 1.809 2.455 . 0 0 "[ . 1 . 2]" 1
63 1 11 ALA MB 1 87 PHE HB3 . . 3.900 2.095 1.854 2.508 . 0 0 "[ . 1 . 2]" 1
64 1 11 ALA MB 1 87 PHE QD . . 3.890 3.044 2.151 3.615 . 0 0 "[ . 1 . 2]" 1
65 1 11 ALA MB 1 90 VAL HA . . 4.820 4.215 4.000 4.606 . 0 0 "[ . 1 . 2]" 1
66 1 11 ALA MB 1 90 VAL HB . . 3.320 2.047 1.915 2.500 . 0 0 "[ . 1 . 2]" 1
67 1 11 ALA MB 1 90 VAL MG1 . . 3.190 1.956 1.790 2.336 . 0 0 "[ . 1 . 2]" 1
68 1 11 ALA MB 1 90 VAL MG2 . . 3.760 3.231 2.763 3.556 . 0 0 "[ . 1 . 2]" 1
69 1 11 ALA MB 1 92 ILE H . . 3.750 3.286 2.837 3.648 . 0 0 "[ . 1 . 2]" 1
70 1 11 ALA MB 1 92 ILE HA . . 3.650 2.327 1.974 2.885 . 0 0 "[ . 1 . 2]" 1
71 1 11 ALA MB 1 92 ILE MG . . 3.450 1.966 1.761 2.268 . 0 0 "[ . 1 . 2]" 1
72 1 12 SER H 1 12 SER HB2 . . 3.620 3.069 2.229 3.603 . 0 0 "[ . 1 . 2]" 1
73 1 12 SER H 1 12 SER QB . . 3.130 2.436 2.166 2.824 . 0 0 "[ . 1 . 2]" 1
74 1 12 SER H 1 12 SER HB3 . . 3.620 2.819 2.423 3.599 . 0 0 "[ . 1 . 2]" 1
75 1 12 SER H 1 13 LYS H . . 3.350 2.797 2.626 2.940 . 0 0 "[ . 1 . 2]" 1
76 1 12 SER H 1 13 LYS HB2 . . 5.420 5.142 4.978 5.321 . 0 0 "[ . 1 . 2]" 1
77 1 12 SER H 1 13 LYS HG2 . . 4.660 4.215 3.788 4.477 . 0 0 "[ . 1 . 2]" 1
78 1 12 SER H 1 14 CYS H . . 4.590 4.285 4.036 4.505 . 0 0 "[ . 1 . 2]" 1
79 1 12 SER HA 1 14 CYS H . . 4.660 4.306 4.125 4.508 . 0 0 "[ . 1 . 2]" 1
80 1 12 SER HA 1 92 ILE HA . . 4.490 3.768 3.490 4.477 . 0 0 "[ . 1 . 2]" 1
81 1 12 SER HA 1 93 PRO HD3 . . 4.150 2.417 2.035 3.044 . 0 0 "[ . 1 . 2]" 1
82 1 12 SER HA 1 93 PRO HG2 . . 3.760 3.333 3.084 3.728 . 0 0 "[ . 1 . 2]" 1
83 1 12 SER HA 1 93 PRO HG3 . . 3.760 2.639 2.373 2.943 . 0 0 "[ . 1 . 2]" 1
84 1 12 SER QB 1 13 LYS H . . 3.930 3.159 2.531 3.713 . 0 0 "[ . 1 . 2]" 1
85 1 12 SER QB 1 13 LYS HA . . 5.100 4.197 3.812 4.518 . 0 0 "[ . 1 . 2]" 1
86 1 12 SER QB 1 13 LYS QD . . 5.340 4.137 3.002 4.893 . 0 0 "[ . 1 . 2]" 1
87 1 12 SER QB 1 93 PRO QG . . 3.880 2.743 2.314 3.222 . 0 0 "[ . 1 . 2]" 1
88 1 12 SER HB2 1 93 PRO HG2 . . 5.500 4.758 4.117 5.515 0.015 13 0 "[ . 1 . 2]" 1
89 1 12 SER HB2 1 93 PRO HG3 . . 5.500 3.303 2.581 4.167 . 0 0 "[ . 1 . 2]" 1
90 1 12 SER HB3 1 93 PRO HG2 . . 5.500 4.805 3.925 5.505 0.005 8 0 "[ . 1 . 2]" 1
91 1 12 SER HB3 1 93 PRO HG3 . . 5.500 3.317 2.348 4.317 . 0 0 "[ . 1 . 2]" 1
92 1 13 LYS H 1 13 LYS HB2 . . 3.110 2.572 2.477 2.678 . 0 0 "[ . 1 . 2]" 1
93 1 13 LYS H 1 13 LYS HB3 . . 3.640 3.605 3.582 3.647 0.007 6 0 "[ . 1 . 2]" 1
94 1 13 LYS H 1 13 LYS QD . . 4.130 3.514 2.852 4.035 . 0 0 "[ . 1 . 2]" 1
95 1 13 LYS H 1 13 LYS QE . . 4.960 4.329 2.647 4.726 . 0 0 "[ . 1 . 2]" 1
96 1 13 LYS H 1 13 LYS HG2 . . 3.460 2.115 1.913 2.429 . 0 0 "[ . 1 . 2]" 1
97 1 13 LYS H 1 13 LYS HG3 . . 4.250 3.511 3.305 3.712 . 0 0 "[ . 1 . 2]" 1
98 1 13 LYS H 1 14 CYS QB . . 5.340 4.301 3.980 4.678 . 0 0 "[ . 1 . 2]" 1
99 1 13 LYS H 1 40 ALA HA . . 4.610 4.217 4.015 4.507 . 0 0 "[ . 1 . 2]" 1
100 1 13 LYS H 1 40 ALA MB . . 4.240 3.950 2.908 4.240 . 0 0 "[ . 1 . 2]" 1
101 1 13 LYS HA 1 13 LYS QD . . 3.430 2.191 2.005 2.819 . 0 0 "[ . 1 . 2]" 1
102 1 13 LYS HA 1 13 LYS QE . . 4.530 3.701 1.974 4.314 . 0 0 "[ . 1 . 2]" 1
103 1 13 LYS HA 1 13 LYS HG2 . . 3.600 3.063 2.883 3.308 . 0 0 "[ . 1 . 2]" 1
104 1 13 LYS HA 1 13 LYS HG3 . . 3.910 3.817 3.754 3.876 . 0 0 "[ . 1 . 2]" 1
105 1 13 LYS HA 1 40 ALA H . . 5.500 5.431 5.175 5.507 0.007 5 0 "[ . 1 . 2]" 1
106 1 13 LYS HA 1 40 ALA HA . . 5.500 5.105 4.895 5.456 . 0 0 "[ . 1 . 2]" 1
107 1 13 LYS HB2 1 14 CYS H . . 3.910 2.723 2.508 2.870 . 0 0 "[ . 1 . 2]" 1
108 1 13 LYS HB2 1 40 ALA H . . 4.390 3.314 3.071 3.647 . 0 0 "[ . 1 . 2]" 1
109 1 13 LYS HB2 1 40 ALA HA . . 3.350 2.128 2.004 2.468 . 0 0 "[ . 1 . 2]" 1
110 1 13 LYS HB2 1 40 ALA MB . . 4.280 2.507 1.904 2.855 . 0 0 "[ . 1 . 2]" 1
111 1 13 LYS HB3 1 13 LYS QE . . 4.740 3.367 2.170 4.133 . 0 0 "[ . 1 . 2]" 1
112 1 13 LYS HB3 1 14 CYS H . . 4.410 3.837 3.583 3.993 . 0 0 "[ . 1 . 2]" 1
113 1 13 LYS HB3 1 40 ALA H . . 4.740 3.274 2.944 3.535 . 0 0 "[ . 1 . 2]" 1
114 1 13 LYS HB3 1 40 ALA HA . . 3.760 3.284 2.836 3.548 . 0 0 "[ . 1 . 2]" 1
115 1 13 LYS HB3 1 40 ALA MB . . 4.100 3.531 3.032 3.999 . 0 0 "[ . 1 . 2]" 1
116 1 13 LYS QD 1 40 ALA HA . . 5.060 4.631 4.292 5.021 . 0 0 "[ . 1 . 2]" 1
117 1 13 LYS QE 1 13 LYS HG2 . . 3.790 2.741 2.060 3.404 . 0 0 "[ . 1 . 2]" 1
118 1 13 LYS QE 1 13 LYS HG3 . . 3.800 2.459 2.087 3.444 . 0 0 "[ . 1 . 2]" 1
119 1 13 LYS HG2 1 14 CYS H . . 4.260 4.159 3.960 4.266 0.006 5 0 "[ . 1 . 2]" 1
120 1 13 LYS HG2 1 40 ALA HA . . 4.430 3.861 3.401 4.418 . 0 0 "[ . 1 . 2]" 1
121 1 13 LYS HG3 1 40 ALA HA . . 4.390 3.018 2.670 3.424 . 0 0 "[ . 1 . 2]" 1
122 1 14 CYS H 1 14 CYS HB2 . . 3.740 2.293 2.176 2.617 . 0 0 "[ . 1 . 2]" 1
123 1 14 CYS H 1 14 CYS QB . . 3.050 2.237 2.124 2.557 . 0 0 "[ . 1 . 2]" 1
124 1 14 CYS H 1 14 CYS HB3 . . 3.740 3.186 2.735 3.597 . 0 0 "[ . 1 . 2]" 1
125 1 14 CYS H 1 15 LEU H . . 4.690 4.622 4.542 4.647 . 0 0 "[ . 1 . 2]" 1
126 1 14 CYS H 1 15 LEU QD . . 4.520 4.339 3.861 4.528 0.008 18 0 "[ . 1 . 2]" 1
127 1 14 CYS H 1 40 ALA HA . . 4.820 4.076 3.680 4.506 . 0 0 "[ . 1 . 2]" 1
128 1 14 CYS H 1 40 ALA MB . . 4.220 2.686 2.068 2.943 . 0 0 "[ . 1 . 2]" 1
129 1 14 CYS H 1 92 ILE MG . . 4.580 3.864 3.574 4.199 . 0 0 "[ . 1 . 2]" 1
130 1 14 CYS HA 1 15 LEU H . . 2.780 2.277 2.151 2.474 . 0 0 "[ . 1 . 2]" 1
131 1 14 CYS HA 1 15 LEU QD . . 4.410 3.435 2.955 4.134 . 0 0 "[ . 1 . 2]" 1
132 1 14 CYS HA 1 40 ALA MB . . 3.700 2.753 2.283 3.007 . 0 0 "[ . 1 . 2]" 1
133 1 14 CYS QB 1 15 LEU H . . 3.650 3.115 2.492 3.498 . 0 0 "[ . 1 . 2]" 1
134 1 14 CYS QB 1 15 LEU QD . . 4.760 4.271 3.997 4.513 . 0 0 "[ . 1 . 2]" 1
135 1 14 CYS QB 1 35 VAL MG1 . . 3.680 3.083 2.471 3.528 . 0 0 "[ . 1 . 2]" 1
136 1 14 CYS QB 1 92 ILE MD . . 4.550 3.896 3.228 4.227 . 0 0 "[ . 1 . 2]" 1
137 1 14 CYS QB 1 92 ILE MG . . 3.210 2.547 2.122 2.745 . 0 0 "[ . 1 . 2]" 1
138 1 14 CYS HB2 1 15 LEU H . . 4.230 4.104 3.824 4.235 0.005 8 0 "[ . 1 . 2]" 1
139 1 14 CYS HB2 1 35 VAL MG1 . . 4.350 4.152 3.861 4.348 . 0 0 "[ . 1 . 2]" 1
140 1 14 CYS HB2 1 92 ILE MG . . 3.700 3.140 2.146 3.701 0.001 9 0 "[ . 1 . 2]" 1
141 1 14 CYS HB3 1 15 LEU H . . 4.230 3.247 2.526 3.729 . 0 0 "[ . 1 . 2]" 1
142 1 14 CYS HB3 1 35 VAL MG1 . . 4.350 3.214 2.501 3.779 . 0 0 "[ . 1 . 2]" 1
143 1 14 CYS HB3 1 92 ILE MG . . 3.700 2.990 2.609 3.519 . 0 0 "[ . 1 . 2]" 1
144 1 15 LEU H 1 15 LEU HB2 . . 3.740 2.547 2.358 2.684 . 0 0 "[ . 1 . 2]" 1
145 1 15 LEU H 1 15 LEU QB . . 3.280 2.502 2.326 2.630 . 0 0 "[ . 1 . 2]" 1
146 1 15 LEU H 1 15 LEU HB3 . . 3.740 3.668 3.542 3.773 0.033 10 0 "[ . 1 . 2]" 1
147 1 15 LEU H 1 15 LEU QD . . 4.160 3.062 2.544 3.478 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU H 1 15 LEU HG . . 4.610 3.878 2.751 4.580 . 0 0 "[ . 1 . 2]" 1
149 1 15 LEU H 1 16 ALA H . . 4.460 4.443 4.386 4.490 0.030 10 0 "[ . 1 . 2]" 1
150 1 15 LEU H 1 35 VAL MG1 . . 4.160 3.115 2.661 3.426 . 0 0 "[ . 1 . 2]" 1
151 1 15 LEU H 1 36 ASP H . . 3.770 3.621 3.160 3.768 . 0 0 "[ . 1 . 2]" 1
152 1 15 LEU H 1 36 ASP HB2 . . 5.480 5.205 4.785 5.478 . 0 0 "[ . 1 . 2]" 1
153 1 15 LEU H 1 36 ASP HB3 . . 4.430 4.055 3.587 4.392 . 0 0 "[ . 1 . 2]" 1
154 1 15 LEU HA 1 15 LEU MD1 . . 4.620 3.040 1.971 3.892 . 0 0 "[ . 1 . 2]" 1
155 1 15 LEU HA 1 15 LEU QD . . 3.700 2.344 1.940 2.906 . 0 0 "[ . 1 . 2]" 1
156 1 15 LEU HA 1 15 LEU MD2 . . 4.620 2.762 2.018 3.597 . 0 0 "[ . 1 . 2]" 1
157 1 15 LEU HA 1 15 LEU HG . . 4.190 3.027 2.242 3.685 . 0 0 "[ . 1 . 2]" 1
158 1 15 LEU HA 1 16 ALA H . . 2.820 2.270 2.154 2.362 . 0 0 "[ . 1 . 2]" 1
159 1 15 LEU HA 1 16 ALA MB . . 4.130 3.854 3.773 3.944 . 0 0 "[ . 1 . 2]" 1
160 1 15 LEU QB 1 15 LEU QD . . 2.850 1.927 1.828 2.053 . 0 0 "[ . 1 . 2]" 1
161 1 15 LEU QB 1 16 ALA H . . 3.680 2.786 2.560 3.225 . 0 0 "[ . 1 . 2]" 1
162 1 15 LEU QB 1 36 ASP HB2 . . 4.480 3.950 3.675 4.444 . 0 0 "[ . 1 . 2]" 1
163 1 15 LEU HB2 1 16 ALA H . . 4.400 4.019 3.695 4.357 . 0 0 "[ . 1 . 2]" 1
164 1 15 LEU HB2 1 36 ASP H . . 4.840 3.767 3.350 4.328 . 0 0 "[ . 1 . 2]" 1
165 1 15 LEU HB2 1 36 ASP HB3 . . 4.510 2.897 2.610 3.476 . 0 0 "[ . 1 . 2]" 1
166 1 15 LEU HB3 1 16 ALA H . . 4.400 2.844 2.593 3.323 . 0 0 "[ . 1 . 2]" 1
167 1 15 LEU HB3 1 36 ASP H . . 4.840 4.280 3.761 4.818 . 0 0 "[ . 1 . 2]" 1
168 1 15 LEU HB3 1 36 ASP HB3 . . 4.510 3.923 3.192 4.512 0.002 18 0 "[ . 1 . 2]" 1
169 1 15 LEU QD 1 16 ALA H . . 3.550 3.238 2.640 3.554 0.004 11 0 "[ . 1 . 2]" 1
170 1 15 LEU HG 1 16 ALA H . . 5.070 4.531 3.522 5.100 0.030 18 0 "[ . 1 . 2]" 1
171 1 16 ALA H 1 16 ALA MB . . 3.260 2.441 2.314 2.561 . 0 0 "[ . 1 . 2]" 1
172 1 16 ALA H 1 17 THR H . . 4.750 4.170 4.056 4.302 . 0 0 "[ . 1 . 2]" 1
173 1 16 ALA H 1 92 ILE MD . . 4.930 4.868 4.599 4.937 0.007 8 0 "[ . 1 . 2]" 1
174 1 16 ALA HA 1 17 THR H . . 2.870 2.147 2.141 2.152 . 0 0 "[ . 1 . 2]" 1
175 1 16 ALA HA 1 34 VAL H . . 5.500 5.151 4.794 5.444 . 0 0 "[ . 1 . 2]" 1
176 1 16 ALA HA 1 35 VAL HA . . 3.460 2.399 2.027 2.581 . 0 0 "[ . 1 . 2]" 1
177 1 16 ALA HA 1 35 VAL MG2 . . 3.970 2.986 2.423 3.337 . 0 0 "[ . 1 . 2]" 1
178 1 16 ALA HA 1 36 ASP H . . 4.000 3.250 2.881 3.410 . 0 0 "[ . 1 . 2]" 1
179 1 16 ALA MB 1 17 THR H . . 3.570 3.342 3.262 3.389 . 0 0 "[ . 1 . 2]" 1
180 1 16 ALA MB 1 21 ILE MD . . 2.980 2.019 1.880 2.250 . 0 0 "[ . 1 . 2]" 1
181 1 16 ALA MB 1 35 VAL HA . . 3.830 3.574 3.064 3.793 . 0 0 "[ . 1 . 2]" 1
182 1 16 ALA MB 1 35 VAL MG2 . . 3.090 2.639 1.988 2.901 . 0 0 "[ . 1 . 2]" 1
183 1 16 ALA MB 1 36 ASP H . . 4.980 4.616 4.268 4.764 . 0 0 "[ . 1 . 2]" 1
184 1 16 ALA MB 1 92 ILE MD . . 3.310 3.158 2.873 3.311 0.001 18 0 "[ . 1 . 2]" 1
185 1 16 ALA MB 1 97 PHE HZ . . 3.650 2.803 2.357 3.410 . 0 0 "[ . 1 . 2]" 1
186 1 17 THR H 1 17 THR HB . . 4.070 3.772 3.740 3.833 . 0 0 "[ . 1 . 2]" 1
187 1 17 THR H 1 17 THR MG . . 4.060 3.010 2.904 3.149 . 0 0 "[ . 1 . 2]" 1
188 1 17 THR H 1 18 GLY H . . 4.670 4.360 4.235 4.502 . 0 0 "[ . 1 . 2]" 1
189 1 17 THR H 1 18 GLY HA3 . . 5.110 4.877 4.821 4.950 . 0 0 "[ . 1 . 2]" 1
190 1 17 THR H 1 21 ILE MD . . 4.220 3.345 2.932 3.972 . 0 0 "[ . 1 . 2]" 1
191 1 17 THR H 1 33 PHE HB2 . . 4.670 4.313 3.957 4.582 . 0 0 "[ . 1 . 2]" 1
192 1 17 THR H 1 34 VAL H . . 4.110 3.763 3.486 3.912 . 0 0 "[ . 1 . 2]" 1
193 1 17 THR H 1 34 VAL MG1 . . 4.380 3.763 3.294 4.033 . 0 0 "[ . 1 . 2]" 1
194 1 17 THR H 1 35 VAL HA . . 3.890 3.200 2.818 3.457 . 0 0 "[ . 1 . 2]" 1
195 1 17 THR H 1 35 VAL MG2 . . 4.870 4.224 3.889 4.523 . 0 0 "[ . 1 . 2]" 1
196 1 17 THR H 1 36 ASP H . . 4.540 3.711 3.426 4.149 . 0 0 "[ . 1 . 2]" 1
197 1 17 THR H 1 36 ASP HB3 . . 5.500 5.412 5.147 5.502 0.002 11 0 "[ . 1 . 2]" 1
198 1 17 THR HA 1 17 THR MG . . 3.440 2.245 2.134 2.378 . 0 0 "[ . 1 . 2]" 1
199 1 17 THR HA 1 18 GLY H . . 2.930 2.184 2.145 2.348 . 0 0 "[ . 1 . 2]" 1
200 1 17 THR HB 1 18 GLY H . . 3.470 3.161 2.533 3.455 . 0 0 "[ . 1 . 2]" 1
201 1 17 THR HB 1 18 GLY HA3 . . 5.170 4.871 4.533 5.016 . 0 0 "[ . 1 . 2]" 1
202 1 17 THR HB 1 21 ILE MD . . 4.840 4.423 4.062 4.837 . 0 0 "[ . 1 . 2]" 1
203 1 17 THR MG 1 18 GLY H . . 3.940 3.849 3.650 3.946 0.006 5 0 "[ . 1 . 2]" 1
204 1 17 THR MG 1 36 ASP HB3 . . 5.060 4.346 3.979 4.729 . 0 0 "[ . 1 . 2]" 1
205 1 18 GLY H 1 19 PRO QD . . 4.630 4.174 4.064 4.258 . 0 0 "[ . 1 . 2]" 1
206 1 18 GLY H 1 21 ILE MD . . 4.600 2.676 2.189 3.232 . 0 0 "[ . 1 . 2]" 1
207 1 18 GLY H 1 21 ILE QG . . 4.310 2.891 2.679 3.457 . 0 0 "[ . 1 . 2]" 1
208 1 18 GLY HA2 1 19 PRO QD . . 3.420 2.093 2.054 2.132 . 0 0 "[ . 1 . 2]" 1
209 1 18 GLY HA2 1 19 PRO HG2 . . 4.820 4.515 4.460 4.569 . 0 0 "[ . 1 . 2]" 1
210 1 18 GLY HA2 1 19 PRO HG3 . . 4.640 4.474 4.434 4.515 . 0 0 "[ . 1 . 2]" 1
211 1 18 GLY HA3 1 19 PRO HD2 . . 3.730 2.624 2.554 2.697 . 0 0 "[ . 1 . 2]" 1
212 1 18 GLY HA3 1 19 PRO QD . . 3.250 2.553 2.488 2.620 . 0 0 "[ . 1 . 2]" 1
213 1 18 GLY HA3 1 19 PRO HD3 . . 3.730 3.495 3.435 3.558 . 0 0 "[ . 1 . 2]" 1
214 1 18 GLY HA3 1 19 PRO HG2 . . 4.910 4.617 4.560 4.678 . 0 0 "[ . 1 . 2]" 1
215 1 18 GLY HA3 1 19 PRO HG3 . . 5.370 5.207 5.141 5.273 . 0 0 "[ . 1 . 2]" 1
216 1 18 GLY HA3 1 20 GLY H . . 4.260 3.266 3.137 3.572 . 0 0 "[ . 1 . 2]" 1
217 1 18 GLY HA3 1 21 ILE H . . 5.030 3.706 3.593 3.838 . 0 0 "[ . 1 . 2]" 1
218 1 18 GLY HA3 1 33 PHE HB2 . . 4.010 2.246 2.083 2.432 . 0 0 "[ . 1 . 2]" 1
219 1 18 GLY HA3 1 33 PHE HB3 . . 4.070 2.301 2.129 2.601 . 0 0 "[ . 1 . 2]" 1
220 1 18 GLY HA3 1 33 PHE QD . . 4.760 4.143 4.016 4.261 . 0 0 "[ . 1 . 2]" 1
221 1 19 PRO HA 1 21 ILE H . . 4.550 4.211 3.898 4.471 . 0 0 "[ . 1 . 2]" 1
222 1 19 PRO HA 1 22 ALA H . . 4.460 3.626 3.257 3.907 . 0 0 "[ . 1 . 2]" 1
223 1 19 PRO HA 1 22 ALA MB . . 3.140 2.538 2.256 2.729 . 0 0 "[ . 1 . 2]" 1
224 1 19 PRO HB2 1 20 GLY H . . 3.960 3.539 3.243 3.674 . 0 0 "[ . 1 . 2]" 1
225 1 19 PRO HB2 1 31 VAL MG1 . . 3.770 3.115 2.691 3.430 . 0 0 "[ . 1 . 2]" 1
226 1 19 PRO HB2 1 32 GLY H . . 4.580 4.190 3.858 4.516 . 0 0 "[ . 1 . 2]" 1
227 1 19 PRO HB3 1 20 GLY H . . 4.610 4.262 4.090 4.340 . 0 0 "[ . 1 . 2]" 1
228 1 19 PRO HB3 1 31 VAL MG1 . . 5.420 4.644 4.264 4.943 . 0 0 "[ . 1 . 2]" 1
229 1 19 PRO QD 1 20 GLY H . . 3.660 2.645 2.607 2.695 . 0 0 "[ . 1 . 2]" 1
230 1 19 PRO HG2 1 20 GLY H . . 4.890 2.644 2.258 2.840 . 0 0 "[ . 1 . 2]" 1
231 1 19 PRO HG2 1 20 GLY HA2 . . 4.290 4.249 4.164 4.296 0.006 8 0 "[ . 1 . 2]" 1
232 1 19 PRO HG3 1 20 GLY H . . 4.250 4.087 3.800 4.234 . 0 0 "[ . 1 . 2]" 1
233 1 19 PRO HG3 1 31 VAL MG1 . . 5.500 4.674 4.261 5.016 . 0 0 "[ . 1 . 2]" 1
234 1 19 PRO HG3 1 32 GLY H . . 4.390 3.683 3.107 4.044 . 0 0 "[ . 1 . 2]" 1
235 1 20 GLY H 1 21 ILE H . . 3.970 2.573 2.480 2.734 . 0 0 "[ . 1 . 2]" 1
236 1 20 GLY H 1 22 ALA H . . 4.800 3.950 3.739 4.167 . 0 0 "[ . 1 . 2]" 1
237 1 20 GLY H 1 31 VAL MG1 . . 4.010 3.822 2.785 4.006 . 0 0 "[ . 1 . 2]" 1
238 1 20 GLY H 1 31 VAL MG2 . . 5.010 3.827 3.391 5.006 . 0 0 "[ . 1 . 2]" 1
239 1 20 GLY H 1 32 GLY H . . 4.970 3.252 3.043 3.638 . 0 0 "[ . 1 . 2]" 1
240 1 20 GLY H 1 33 PHE H . . 4.890 4.178 3.932 4.660 . 0 0 "[ . 1 . 2]" 1
241 1 20 GLY H 1 33 PHE HA . . 4.880 3.864 3.684 4.063 . 0 0 "[ . 1 . 2]" 1
242 1 20 GLY H 1 33 PHE HB2 . . 4.210 4.172 4.117 4.210 . 0 0 "[ . 1 . 2]" 1
243 1 20 GLY H 1 33 PHE HB3 . . 3.880 2.573 2.486 2.641 . 0 0 "[ . 1 . 2]" 1
244 1 20 GLY HA2 1 22 ALA H . . 4.730 3.725 3.526 4.101 . 0 0 "[ . 1 . 2]" 1
245 1 20 GLY HA2 1 25 VAL MG1 . . 3.490 2.616 2.123 2.929 . 0 0 "[ . 1 . 2]" 1
246 1 20 GLY HA2 1 31 VAL HB . . 4.440 2.326 2.000 4.434 . 0 0 "[ . 1 . 2]" 1
247 1 20 GLY HA2 1 31 VAL MG1 . . 3.670 2.177 1.909 2.626 . 0 0 "[ . 1 . 2]" 1
248 1 20 GLY HA2 1 31 VAL MG2 . . 3.970 2.305 1.963 3.286 . 0 0 "[ . 1 . 2]" 1
249 1 20 GLY HA2 1 33 PHE QD . . 4.240 4.082 3.755 4.235 . 0 0 "[ . 1 . 2]" 1
250 1 20 GLY HA2 1 73 TYR QE . . 4.340 3.576 2.710 3.882 . 0 0 "[ . 1 . 2]" 1
251 1 20 GLY HA2 1 73 TYR HH . . 4.560 3.413 2.710 4.527 . 0 0 "[ . 1 . 2]" 1
252 1 20 GLY HA3 1 22 ALA H . . 4.920 4.282 4.102 4.490 . 0 0 "[ . 1 . 2]" 1
253 1 20 GLY HA3 1 25 VAL MG1 . . 4.370 4.074 3.676 4.317 . 0 0 "[ . 1 . 2]" 1
254 1 20 GLY HA3 1 31 VAL HB . . 4.580 2.522 2.283 4.121 . 0 0 "[ . 1 . 2]" 1
255 1 20 GLY HA3 1 31 VAL MG1 . . 3.870 3.346 1.857 3.620 . 0 0 "[ . 1 . 2]" 1
256 1 20 GLY HA3 1 31 VAL MG2 . . 4.090 2.189 1.971 3.967 . 0 0 "[ . 1 . 2]" 1
257 1 20 GLY HA3 1 33 PHE H . . 5.000 3.945 3.702 4.625 . 0 0 "[ . 1 . 2]" 1
258 1 20 GLY HA3 1 33 PHE QD . . 4.020 2.358 2.016 2.526 . 0 0 "[ . 1 . 2]" 1
259 1 20 GLY HA3 1 73 TYR QE . . 4.230 2.966 2.348 3.341 . 0 0 "[ . 1 . 2]" 1
260 1 20 GLY HA3 1 73 TYR HH . . 5.410 4.016 3.314 4.977 . 0 0 "[ . 1 . 2]" 1
261 1 21 ILE H 1 21 ILE MD . . 3.920 3.732 3.651 3.843 . 0 0 "[ . 1 . 2]" 1
262 1 21 ILE H 1 21 ILE HG12 . . 3.510 2.102 1.992 2.287 . 0 0 "[ . 1 . 2]" 1
263 1 21 ILE H 1 21 ILE QG . . 2.980 2.039 1.943 2.179 . 0 0 "[ . 1 . 2]" 1
264 1 21 ILE H 1 21 ILE HG13 . . 3.510 2.787 2.481 3.059 . 0 0 "[ . 1 . 2]" 1
265 1 21 ILE H 1 21 ILE MG . . 3.840 2.550 2.333 2.803 . 0 0 "[ . 1 . 2]" 1
266 1 21 ILE H 1 22 ALA H . . 2.920 2.527 2.241 2.811 . 0 0 "[ . 1 . 2]" 1
267 1 21 ILE H 1 22 ALA MB . . 4.300 4.071 3.831 4.259 . 0 0 "[ . 1 . 2]" 1
268 1 21 ILE H 1 33 PHE HB2 . . 4.480 3.806 3.423 4.067 . 0 0 "[ . 1 . 2]" 1
269 1 21 ILE H 1 33 PHE HB3 . . 4.230 2.731 2.478 3.053 . 0 0 "[ . 1 . 2]" 1
270 1 21 ILE HA 1 21 ILE MD . . 4.220 4.157 4.123 4.179 . 0 0 "[ . 1 . 2]" 1
271 1 21 ILE HA 1 21 ILE MG . . 3.150 2.294 2.158 2.420 . 0 0 "[ . 1 . 2]" 1
272 1 21 ILE HA 1 83 ILE MD . . 4.350 3.105 2.658 3.397 . 0 0 "[ . 1 . 2]" 1
273 1 21 ILE HA 1 99 VAL MG1 . . 4.140 3.874 3.629 4.093 . 0 0 "[ . 1 . 2]" 1
274 1 21 ILE HA 1 99 VAL MG2 . . 3.310 2.601 2.427 2.824 . 0 0 "[ . 1 . 2]" 1
275 1 21 ILE HB 1 21 ILE MD . . 3.280 2.311 2.170 2.435 . 0 0 "[ . 1 . 2]" 1
276 1 21 ILE HB 1 22 ALA H . . 4.470 4.304 3.983 4.445 . 0 0 "[ . 1 . 2]" 1
277 1 21 ILE HB 1 33 PHE HB3 . . 5.500 5.359 5.037 5.504 0.004 9 0 "[ . 1 . 2]" 1
278 1 21 ILE HB 1 97 PHE HB2 . . 5.500 5.063 4.841 5.406 . 0 0 "[ . 1 . 2]" 1
279 1 21 ILE HB 1 97 PHE HB3 . . 4.720 3.919 3.666 4.138 . 0 0 "[ . 1 . 2]" 1
280 1 21 ILE HB 1 97 PHE QD . . 3.910 2.344 2.016 3.060 . 0 0 "[ . 1 . 2]" 1
281 1 21 ILE HB 1 99 VAL MG2 . . 4.580 4.125 3.824 4.566 . 0 0 "[ . 1 . 2]" 1
282 1 21 ILE MD 1 21 ILE MG . . 3.220 2.156 1.953 2.397 . 0 0 "[ . 1 . 2]" 1
283 1 21 ILE MD 1 33 PHE HB2 . . 4.640 3.369 2.885 3.985 . 0 0 "[ . 1 . 2]" 1
284 1 21 ILE MD 1 33 PHE HB3 . . 4.590 4.138 3.862 4.570 . 0 0 "[ . 1 . 2]" 1
285 1 21 ILE MD 1 97 PHE QD . . 3.970 3.524 3.090 3.907 . 0 0 "[ . 1 . 2]" 1
286 1 21 ILE MD 1 97 PHE QE . . 4.010 2.680 2.215 3.311 . 0 0 "[ . 1 . 2]" 1
287 1 21 ILE QG 1 21 ILE MG . . 3.180 2.205 2.054 2.306 . 0 0 "[ . 1 . 2]" 1
288 1 21 ILE QG 1 33 PHE HB2 . . 4.360 2.944 2.382 3.225 . 0 0 "[ . 1 . 2]" 1
289 1 21 ILE QG 1 33 PHE HB3 . . 4.380 2.957 2.609 3.239 . 0 0 "[ . 1 . 2]" 1
290 1 21 ILE HG12 1 22 ALA H . . 4.070 3.865 3.300 4.069 . 0 0 "[ . 1 . 2]" 1
291 1 21 ILE HG12 1 33 PHE HB2 . . 5.050 2.975 2.397 3.265 . 0 0 "[ . 1 . 2]" 1
292 1 21 ILE HG12 1 33 PHE HB3 . . 5.010 2.993 2.635 3.294 . 0 0 "[ . 1 . 2]" 1
293 1 21 ILE HG13 1 22 ALA H . . 4.070 3.239 2.427 3.759 . 0 0 "[ . 1 . 2]" 1
294 1 21 ILE HG13 1 33 PHE HB2 . . 5.050 4.708 4.132 5.001 . 0 0 "[ . 1 . 2]" 1
295 1 21 ILE HG13 1 33 PHE HB3 . . 5.010 4.612 4.194 4.917 . 0 0 "[ . 1 . 2]" 1
296 1 21 ILE MG 1 22 ALA H . . 4.370 4.234 4.070 4.315 . 0 0 "[ . 1 . 2]" 1
297 1 21 ILE MG 1 33 PHE HB2 . . 4.850 2.821 2.552 3.205 . 0 0 "[ . 1 . 2]" 1
298 1 21 ILE MG 1 33 PHE HB3 . . 4.150 2.830 2.476 3.249 . 0 0 "[ . 1 . 2]" 1
299 1 21 ILE MG 1 33 PHE QD . . 4.110 2.717 2.367 2.998 . 0 0 "[ . 1 . 2]" 1
300 1 21 ILE MG 1 33 PHE QE . . 3.980 3.274 2.926 3.633 . 0 0 "[ . 1 . 2]" 1
301 1 21 ILE MG 1 33 PHE HZ . . 4.870 3.970 3.465 4.385 . 0 0 "[ . 1 . 2]" 1
302 1 21 ILE MG 1 83 ILE HB . . 4.410 4.168 3.811 4.410 0.000 17 0 "[ . 1 . 2]" 1
303 1 21 ILE MG 1 83 ILE MD . . 3.740 2.891 2.437 3.101 . 0 0 "[ . 1 . 2]" 1
304 1 21 ILE MG 1 97 PHE HB3 . . 4.490 3.890 3.538 4.170 . 0 0 "[ . 1 . 2]" 1
305 1 21 ILE MG 1 97 PHE QD . . 4.020 3.059 2.464 3.541 . 0 0 "[ . 1 . 2]" 1
306 1 21 ILE MG 1 97 PHE QE . . 5.060 3.392 2.944 4.015 . 0 0 "[ . 1 . 2]" 1
307 1 21 ILE MG 1 99 VAL MG2 . . 3.990 3.818 3.584 3.962 . 0 0 "[ . 1 . 2]" 1
308 1 22 ALA H 1 22 ALA MB . . 2.870 2.206 2.067 2.260 . 0 0 "[ . 1 . 2]" 1
309 1 22 ALA H 1 23 SER H . . 4.700 4.601 4.571 4.639 . 0 0 "[ . 1 . 2]" 1
310 1 22 ALA H 1 25 VAL MG1 . . 3.940 3.173 2.821 3.504 . 0 0 "[ . 1 . 2]" 1
311 1 22 ALA HA 1 23 SER H . . 2.870 2.207 2.172 2.287 . 0 0 "[ . 1 . 2]" 1
312 1 22 ALA HA 1 24 THR H . . 4.150 4.037 3.828 4.146 . 0 0 "[ . 1 . 2]" 1
313 1 22 ALA MB 1 23 SER H . . 3.020 2.883 2.699 3.019 . 0 0 "[ . 1 . 2]" 1
314 1 22 ALA MB 1 23 SER QB . . 4.660 4.095 3.855 4.638 . 0 0 "[ . 1 . 2]" 1
315 1 22 ALA MB 1 24 THR H . . 3.250 2.678 2.181 2.877 . 0 0 "[ . 1 . 2]" 1
316 1 22 ALA MB 1 25 VAL MG1 . . 3.980 2.286 1.988 2.882 . 0 0 "[ . 1 . 2]" 1
317 1 23 SER H 1 23 SER HB2 . . 3.610 2.709 2.262 3.612 0.002 13 0 "[ . 1 . 2]" 1
318 1 23 SER H 1 23 SER QB . . 3.160 2.383 2.238 2.642 . 0 0 "[ . 1 . 2]" 1
319 1 23 SER H 1 23 SER HB3 . . 3.610 3.082 2.408 3.612 0.002 18 0 "[ . 1 . 2]" 1
320 1 23 SER H 1 24 THR H . . 3.290 2.929 2.713 3.020 . 0 0 "[ . 1 . 2]" 1
321 1 23 SER HA 1 24 THR HA . . 4.940 4.536 4.507 4.552 . 0 0 "[ . 1 . 2]" 1
322 1 23 SER QB 1 24 THR H . . 3.720 2.851 2.558 3.637 . 0 0 "[ . 1 . 2]" 1
323 1 23 SER QB 1 24 THR MG . . 3.880 2.774 2.375 3.205 . 0 0 "[ . 1 . 2]" 1
324 1 23 SER HB2 1 24 THR H . . 4.270 3.357 2.605 4.179 . 0 0 "[ . 1 . 2]" 1
325 1 23 SER HB2 1 24 THR MG . . 4.410 3.485 2.746 4.223 . 0 0 "[ . 1 . 2]" 1
326 1 23 SER HB3 1 24 THR H . . 4.270 3.402 2.595 4.153 . 0 0 "[ . 1 . 2]" 1
327 1 23 SER HB3 1 24 THR MG . . 4.410 3.147 2.549 4.328 . 0 0 "[ . 1 . 2]" 1
328 1 24 THR H 1 24 THR HB . . 4.000 3.879 3.781 3.973 . 0 0 "[ . 1 . 2]" 1
329 1 24 THR H 1 24 THR MG . . 3.580 2.979 2.694 3.183 . 0 0 "[ . 1 . 2]" 1
330 1 24 THR H 1 25 VAL H . . 4.620 4.346 4.202 4.470 . 0 0 "[ . 1 . 2]" 1
331 1 24 THR H 1 25 VAL MG1 . . 4.220 3.752 3.509 3.977 . 0 0 "[ . 1 . 2]" 1
332 1 24 THR HA 1 24 THR MG . . 3.300 2.378 2.215 2.563 . 0 0 "[ . 1 . 2]" 1
333 1 24 THR HA 1 25 VAL H . . 2.920 2.221 2.149 2.335 . 0 0 "[ . 1 . 2]" 1
334 1 24 THR HA 1 25 VAL HA . . 5.050 4.435 4.398 4.507 . 0 0 "[ . 1 . 2]" 1
335 1 24 THR HA 1 25 VAL MG1 . . 4.000 3.619 3.472 3.850 . 0 0 "[ . 1 . 2]" 1
336 1 24 THR HA 1 25 VAL MG2 . . 4.470 3.684 3.540 3.815 . 0 0 "[ . 1 . 2]" 1
337 1 24 THR HA 1 99 VAL HA . . 4.280 3.961 3.747 4.242 . 0 0 "[ . 1 . 2]" 1
338 1 24 THR HA 1 99 VAL MG1 . . 3.890 3.342 2.915 3.658 . 0 0 "[ . 1 . 2]" 1
339 1 24 THR HA 1 100 MET H . . 3.420 2.536 2.301 2.796 . 0 0 "[ . 1 . 2]" 1
340 1 24 THR HA 1 100 MET HB2 . . 4.310 4.170 3.907 4.311 0.001 10 0 "[ . 1 . 2]" 1
341 1 24 THR HA 1 100 MET HB3 . . 4.310 2.850 2.542 3.120 . 0 0 "[ . 1 . 2]" 1
342 1 24 THR HA 1 102 THR MG . . 4.850 4.703 4.401 4.851 0.001 15 0 "[ . 1 . 2]" 1
343 1 24 THR HB 1 25 VAL H . . 3.480 2.942 2.564 3.306 . 0 0 "[ . 1 . 2]" 1
344 1 24 THR HB 1 100 MET H . . 4.760 4.672 4.475 4.761 0.001 7 0 "[ . 1 . 2]" 1
345 1 24 THR HB 1 100 MET QB . . 4.140 3.456 3.156 3.754 . 0 0 "[ . 1 . 2]" 1
346 1 24 THR HB 1 102 THR H . . 5.080 4.700 4.137 5.041 . 0 0 "[ . 1 . 2]" 1
347 1 24 THR HB 1 102 THR MG . . 3.790 3.295 2.974 3.703 . 0 0 "[ . 1 . 2]" 1
348 1 24 THR MG 1 25 VAL H . . 4.040 3.883 3.700 4.041 0.001 11 0 "[ . 1 . 2]" 1
349 1 24 THR MG 1 100 MET H . . 4.000 3.354 2.945 3.734 . 0 0 "[ . 1 . 2]" 1
350 1 24 THR MG 1 100 MET HB2 . . 3.670 3.301 2.919 3.658 . 0 0 "[ . 1 . 2]" 1
351 1 24 THR MG 1 100 MET HB3 . . 3.670 2.113 1.933 2.343 . 0 0 "[ . 1 . 2]" 1
352 1 24 THR MG 1 100 MET HG2 . . 4.660 3.472 3.082 3.862 . 0 0 "[ . 1 . 2]" 1
353 1 24 THR MG 1 100 MET QG . . 4.090 3.312 2.985 3.656 . 0 0 "[ . 1 . 2]" 1
354 1 24 THR MG 1 100 MET HG3 . . 4.660 4.224 3.750 4.630 . 0 0 "[ . 1 . 2]" 1
355 1 25 VAL H 1 25 VAL HB . . 4.170 3.867 3.794 3.979 . 0 0 "[ . 1 . 2]" 1
356 1 25 VAL H 1 25 VAL MG1 . . 3.550 3.014 2.786 3.159 . 0 0 "[ . 1 . 2]" 1
357 1 25 VAL H 1 25 VAL MG2 . . 3.300 2.195 1.985 2.510 . 0 0 "[ . 1 . 2]" 1
358 1 25 VAL H 1 99 VAL MG1 . . 3.600 3.344 2.828 3.595 . 0 0 "[ . 1 . 2]" 1
359 1 25 VAL H 1 100 MET H . . 4.460 3.897 3.395 4.254 . 0 0 "[ . 1 . 2]" 1
360 1 25 VAL H 1 101 ALA HA . . 3.430 2.876 2.625 3.256 . 0 0 "[ . 1 . 2]" 1
361 1 25 VAL H 1 102 THR H . . 3.890 3.581 3.310 3.873 . 0 0 "[ . 1 . 2]" 1
362 1 25 VAL HA 1 25 VAL MG1 . . 3.210 2.316 2.190 2.417 . 0 0 "[ . 1 . 2]" 1
363 1 25 VAL HA 1 26 LYS H . . 2.990 2.479 2.311 2.632 . 0 0 "[ . 1 . 2]" 1
364 1 25 VAL HB 1 26 LYS H . . 2.970 2.237 1.947 2.614 . 0 0 "[ . 1 . 2]" 1
365 1 25 VAL MG1 1 26 LYS H . . 3.840 3.623 3.515 3.775 . 0 0 "[ . 1 . 2]" 1
366 1 25 VAL MG1 1 73 TYR QE . . 4.690 4.162 3.705 4.538 . 0 0 "[ . 1 . 2]" 1
367 1 25 VAL MG2 1 26 LYS H . . 3.710 3.265 2.968 3.518 . 0 0 "[ . 1 . 2]" 1
368 1 25 VAL MG2 1 75 ALA MB . . 3.450 3.178 2.710 3.432 . 0 0 "[ . 1 . 2]" 1
369 1 25 VAL MG2 1 99 VAL MG1 . . 3.130 2.014 1.851 2.285 . 0 0 "[ . 1 . 2]" 1
370 1 25 VAL MG2 1 101 ALA HA . . 3.400 2.190 1.967 2.458 . 0 0 "[ . 1 . 2]" 1
371 1 25 VAL MG2 1 101 ALA MB . . 3.330 2.526 2.158 3.019 . 0 0 "[ . 1 . 2]" 1
372 1 25 VAL MG2 1 102 THR H . . 3.870 3.565 3.288 3.818 . 0 0 "[ . 1 . 2]" 1
373 1 26 LYS H 1 26 LYS HB2 . . 3.670 2.544 2.215 3.662 . 0 0 "[ . 1 . 2]" 1
374 1 26 LYS H 1 26 LYS QB . . 3.020 2.352 2.192 2.629 . 0 0 "[ . 1 . 2]" 1
375 1 26 LYS H 1 26 LYS HB3 . . 3.670 3.182 2.476 3.669 . 0 0 "[ . 1 . 2]" 1
376 1 26 LYS H 1 26 LYS QD . . 5.130 4.006 2.216 4.689 . 0 0 "[ . 1 . 2]" 1
377 1 26 LYS H 1 26 LYS QG . . 4.130 3.544 2.102 4.084 . 0 0 "[ . 1 . 2]" 1
378 1 26 LYS H 1 27 THR H . . 4.860 4.526 4.422 4.585 . 0 0 "[ . 1 . 2]" 1
379 1 26 LYS HA 1 26 LYS QD . . 4.420 3.763 2.943 4.357 . 0 0 "[ . 1 . 2]" 1
380 1 26 LYS HA 1 26 LYS QG . . 3.810 2.345 2.142 3.337 . 0 0 "[ . 1 . 2]" 1
381 1 26 LYS HA 1 27 THR H . . 2.840 2.242 2.168 2.366 . 0 0 "[ . 1 . 2]" 1
382 1 26 LYS HA 1 27 THR MG . . 3.960 3.761 3.585 3.938 . 0 0 "[ . 1 . 2]" 1
383 1 26 LYS HA 1 101 ALA HA . . 4.870 4.097 3.774 4.456 . 0 0 "[ . 1 . 2]" 1
384 1 26 LYS HA 1 102 THR H . . 3.770 2.856 2.438 3.240 . 0 0 "[ . 1 . 2]" 1
385 1 26 LYS QB 1 26 LYS QE . . 3.480 2.680 1.967 3.467 . 0 0 "[ . 1 . 2]" 1
386 1 26 LYS QB 1 27 THR H . . 3.640 3.111 2.489 3.633 . 0 0 "[ . 1 . 2]" 1
387 1 26 LYS QB 1 29 GLU QG . . 3.730 2.818 2.101 3.700 . 0 0 "[ . 1 . 2]" 1
388 1 26 LYS HB2 1 27 THR H . . 4.330 4.056 2.667 4.325 . 0 0 "[ . 1 . 2]" 1
389 1 26 LYS HB3 1 27 THR H . . 4.330 3.330 2.523 4.066 . 0 0 "[ . 1 . 2]" 1
390 1 26 LYS QE 1 26 LYS QG . . 3.250 2.205 2.059 2.571 . 0 0 "[ . 1 . 2]" 1
391 1 26 LYS QG 1 27 THR H . . 3.850 3.196 2.140 3.837 . 0 0 "[ . 1 . 2]" 1
392 1 27 THR H 1 27 THR HB . . 3.680 3.630 3.598 3.662 . 0 0 "[ . 1 . 2]" 1
393 1 27 THR H 1 27 THR MG . . 3.400 2.534 2.270 2.766 . 0 0 "[ . 1 . 2]" 1
394 1 27 THR H 1 28 GLY H . . 4.670 4.608 4.568 4.645 . 0 0 "[ . 1 . 2]" 1
395 1 27 THR H 1 102 THR H . . 3.960 3.779 3.102 3.964 0.004 5 0 "[ . 1 . 2]" 1
396 1 27 THR H 1 103 ASP HA . . 3.650 3.366 2.912 3.650 . 0 0 "[ . 1 . 2]" 1
397 1 27 THR HA 1 27 THR MG . . 3.410 2.283 2.181 2.389 . 0 0 "[ . 1 . 2]" 1
398 1 27 THR HA 1 28 GLY H . . 3.040 2.337 2.255 2.406 . 0 0 "[ . 1 . 2]" 1
399 1 27 THR HA 1 28 GLY HA2 . . 4.870 4.552 4.502 4.603 . 0 0 "[ . 1 . 2]" 1
400 1 27 THR HA 1 29 GLU H . . 3.980 3.552 3.349 3.753 . 0 0 "[ . 1 . 2]" 1
401 1 27 THR HA 1 75 ALA MB . . 3.570 2.209 1.977 2.684 . 0 0 "[ . 1 . 2]" 1
402 1 27 THR HA 1 101 ALA MB . . 4.230 3.466 3.095 3.949 . 0 0 "[ . 1 . 2]" 1
403 1 27 THR HB 1 28 GLY H . . 3.540 2.569 2.395 2.812 . 0 0 "[ . 1 . 2]" 1
404 1 27 THR HB 1 29 GLU H . . 5.060 4.849 4.758 5.036 . 0 0 "[ . 1 . 2]" 1
405 1 27 THR MG 1 28 GLY H . . 3.710 3.654 3.528 3.709 . 0 0 "[ . 1 . 2]" 1
406 1 27 THR MG 1 77 LYS H . . 4.380 4.150 3.777 4.327 . 0 0 "[ . 1 . 2]" 1
407 1 27 THR MG 1 77 LYS HA . . 3.760 3.396 3.160 3.633 . 0 0 "[ . 1 . 2]" 1
408 1 27 THR MG 1 78 PRO HA . . 3.500 2.201 1.938 2.508 . 0 0 "[ . 1 . 2]" 1
409 1 27 THR MG 1 78 PRO HB2 . . 4.110 3.728 3.454 4.109 . 0 0 "[ . 1 . 2]" 1
410 1 27 THR MG 1 78 PRO HB3 . . 3.840 2.400 2.017 2.944 . 0 0 "[ . 1 . 2]" 1
411 1 27 THR MG 1 78 PRO HD2 . . 4.300 3.967 3.613 4.270 . 0 0 "[ . 1 . 2]" 1
412 1 27 THR MG 1 78 PRO HD3 . . 3.580 2.790 2.346 3.347 . 0 0 "[ . 1 . 2]" 1
413 1 27 THR MG 1 79 GLY H . . 4.350 3.989 3.698 4.347 . 0 0 "[ . 1 . 2]" 1
414 1 27 THR MG 1 101 ALA HA . . 4.390 3.490 3.190 3.774 . 0 0 "[ . 1 . 2]" 1
415 1 27 THR MG 1 101 ALA MB . . 3.240 1.928 1.713 2.192 . 0 0 "[ . 1 . 2]" 1
416 1 27 THR MG 1 102 THR H . . 4.190 3.384 2.958 3.761 . 0 0 "[ . 1 . 2]" 1
417 1 27 THR MG 1 103 ASP HA . . 3.630 3.128 2.457 3.630 . 0 0 "[ . 1 . 2]" 1
418 1 28 GLY H 1 29 GLU H . . 3.380 3.142 2.804 3.312 . 0 0 "[ . 1 . 2]" 1
419 1 28 GLY H 1 74 THR MG . . 4.140 3.089 2.931 3.341 . 0 0 "[ . 1 . 2]" 1
420 1 28 GLY H 1 75 ALA H . . 4.520 3.219 2.695 3.572 . 0 0 "[ . 1 . 2]" 1
421 1 28 GLY H 1 75 ALA MB . . 4.060 3.135 2.712 3.730 . 0 0 "[ . 1 . 2]" 1
422 1 28 GLY H 1 76 ALA HA . . 4.130 3.767 2.791 4.073 . 0 0 "[ . 1 . 2]" 1
423 1 28 GLY HA2 1 74 THR MG . . 3.850 3.032 2.457 3.445 . 0 0 "[ . 1 . 2]" 1
424 1 28 GLY HA2 1 76 ALA HA . . 4.290 3.880 3.145 4.262 . 0 0 "[ . 1 . 2]" 1
425 1 28 GLY HA3 1 74 THR MG . . 4.520 4.173 3.705 4.492 . 0 0 "[ . 1 . 2]" 1
426 1 29 GLU H 1 29 GLU HB2 . . 3.780 2.715 2.199 3.672 . 0 0 "[ . 1 . 2]" 1
427 1 29 GLU H 1 29 GLU QB . . 3.130 2.391 2.177 2.872 . 0 0 "[ . 1 . 2]" 1
428 1 29 GLU H 1 29 GLU HB3 . . 3.780 3.303 2.530 3.667 . 0 0 "[ . 1 . 2]" 1
429 1 29 GLU H 1 29 GLU HG2 . . 3.730 2.930 2.249 3.628 . 0 0 "[ . 1 . 2]" 1
430 1 29 GLU H 1 29 GLU HG3 . . 3.730 3.106 2.233 3.725 . 0 0 "[ . 1 . 2]" 1
431 1 29 GLU H 1 30 GLU H . . 4.680 4.599 4.549 4.630 . 0 0 "[ . 1 . 2]" 1
432 1 29 GLU H 1 74 THR MG . . 3.980 3.821 3.504 3.977 . 0 0 "[ . 1 . 2]" 1
433 1 29 GLU H 1 75 ALA H . . 4.630 4.559 4.306 4.632 0.002 6 0 "[ . 1 . 2]" 1
434 1 29 GLU HA 1 29 GLU HG2 . . 4.240 2.899 2.229 4.230 . 0 0 "[ . 1 . 2]" 1
435 1 29 GLU HA 1 29 GLU HG3 . . 4.240 3.546 3.133 4.236 . 0 0 "[ . 1 . 2]" 1
436 1 29 GLU HA 1 30 GLU H . . 2.740 2.310 2.173 2.450 . 0 0 "[ . 1 . 2]" 1
437 1 29 GLU HA 1 30 GLU HB2 . . 4.780 4.479 4.334 4.719 . 0 0 "[ . 1 . 2]" 1
438 1 29 GLU HA 1 30 GLU QB . . 4.190 4.027 4.001 4.086 . 0 0 "[ . 1 . 2]" 1
439 1 29 GLU HA 1 30 GLU HB3 . . 4.780 4.579 4.395 4.748 . 0 0 "[ . 1 . 2]" 1
440 1 29 GLU QB 1 30 GLU H . . 3.470 2.666 2.291 3.125 . 0 0 "[ . 1 . 2]" 1
441 1 29 GLU QB 1 30 GLU HA . . 4.670 4.340 4.125 4.641 . 0 0 "[ . 1 . 2]" 1
442 1 29 GLU HB2 1 30 GLU H . . 4.320 3.558 2.432 4.297 . 0 0 "[ . 1 . 2]" 1
443 1 29 GLU HB3 1 30 GLU H . . 4.320 3.092 2.316 4.080 . 0 0 "[ . 1 . 2]" 1
444 1 29 GLU QG 1 30 GLU H . . 4.510 3.930 3.500 4.308 . 0 0 "[ . 1 . 2]" 1
445 1 29 GLU HG2 1 30 GLU H . . 5.210 4.400 3.726 4.974 . 0 0 "[ . 1 . 2]" 1
446 1 29 GLU HG3 1 30 GLU H . . 5.210 4.689 3.598 5.198 . 0 0 "[ . 1 . 2]" 1
447 1 30 GLU H 1 30 GLU HB2 . . 3.200 2.932 2.630 3.128 . 0 0 "[ . 1 . 2]" 1
448 1 30 GLU H 1 30 GLU HB3 . . 3.200 2.476 2.290 2.589 . 0 0 "[ . 1 . 2]" 1
449 1 30 GLU H 1 30 GLU QG . . 4.080 3.997 3.925 4.076 . 0 0 "[ . 1 . 2]" 1
450 1 30 GLU H 1 31 VAL H . . 4.430 4.331 4.258 4.416 . 0 0 "[ . 1 . 2]" 1
451 1 30 GLU HA 1 30 GLU QG . . 3.660 2.475 2.355 2.602 . 0 0 "[ . 1 . 2]" 1
452 1 30 GLU HA 1 31 VAL H . . 2.920 2.146 2.139 2.162 . 0 0 "[ . 1 . 2]" 1
453 1 30 GLU HA 1 31 VAL MG2 . . 4.220 3.757 3.692 3.875 . 0 0 "[ . 1 . 2]" 1
454 1 30 GLU HA 1 73 TYR H . . 4.650 4.443 4.254 4.646 . 0 0 "[ . 1 . 2]" 1
455 1 30 GLU HA 1 74 THR MG . . 3.960 3.131 2.926 3.448 . 0 0 "[ . 1 . 2]" 1
456 1 30 GLU HB2 1 31 VAL H . . 4.540 4.311 4.140 4.451 . 0 0 "[ . 1 . 2]" 1
457 1 30 GLU HB3 1 31 VAL H . . 4.540 4.351 4.203 4.512 . 0 0 "[ . 1 . 2]" 1
458 1 30 GLU QG 1 31 VAL H . . 3.500 3.001 2.618 3.251 . 0 0 "[ . 1 . 2]" 1
459 1 30 GLU QG 1 72 PHE HB2 . . 4.260 3.900 3.663 4.175 . 0 0 "[ . 1 . 2]" 1
460 1 30 GLU QG 1 72 PHE HB3 . . 3.940 2.771 2.507 3.091 . 0 0 "[ . 1 . 2]" 1
461 1 30 GLU QG 1 72 PHE QD . . 3.710 3.496 3.194 3.691 . 0 0 "[ . 1 . 2]" 1
462 1 30 GLU QG 1 73 TYR H . . 4.030 3.209 2.733 3.816 . 0 0 "[ . 1 . 2]" 1
463 1 31 VAL H 1 31 VAL HB . . 3.870 3.601 2.593 3.686 . 0 0 "[ . 1 . 2]" 1
464 1 31 VAL H 1 31 VAL MG1 . . 3.710 2.625 2.302 3.788 0.078 9 0 "[ . 1 . 2]" 1
465 1 31 VAL H 1 31 VAL MG2 . . 3.270 2.018 1.879 2.295 . 0 0 "[ . 1 . 2]" 1
466 1 31 VAL H 1 32 GLY H . . 4.860 4.564 4.536 4.612 . 0 0 "[ . 1 . 2]" 1
467 1 31 VAL H 1 72 PHE HA . . 5.220 4.954 4.768 5.146 . 0 0 "[ . 1 . 2]" 1
468 1 31 VAL H 1 72 PHE HB3 . . 4.850 4.790 4.695 4.852 0.002 5 0 "[ . 1 . 2]" 1
469 1 31 VAL H 1 73 TYR H . . 3.560 3.299 3.096 3.532 . 0 0 "[ . 1 . 2]" 1
470 1 31 VAL H 1 74 THR HA . . 3.630 3.331 2.965 3.601 . 0 0 "[ . 1 . 2]" 1
471 1 31 VAL HA 1 31 VAL MG1 . . 3.640 2.289 2.163 2.394 . 0 0 "[ . 1 . 2]" 1
472 1 31 VAL HA 1 31 VAL MG2 . . 3.500 3.150 2.364 3.202 . 0 0 "[ . 1 . 2]" 1
473 1 31 VAL HA 1 32 GLY H . . 2.980 2.470 2.334 2.512 . 0 0 "[ . 1 . 2]" 1
474 1 31 VAL HA 1 32 GLY HA2 . . 4.870 4.553 4.517 4.578 . 0 0 "[ . 1 . 2]" 1
475 1 31 VAL HA 1 32 GLY HA3 . . 4.690 4.306 4.300 4.312 . 0 0 "[ . 1 . 2]" 1
476 1 31 VAL HB 1 32 GLY H . . 3.630 2.305 2.173 3.632 0.002 9 0 "[ . 1 . 2]" 1
477 1 31 VAL MG1 1 32 GLY H . . 3.650 3.524 1.914 3.649 . 0 0 "[ . 1 . 2]" 1
478 1 31 VAL MG2 1 32 GLY H . . 4.290 3.347 3.159 3.892 . 0 0 "[ . 1 . 2]" 1
479 1 31 VAL MG2 1 73 TYR H . . 4.100 2.428 1.971 4.101 0.001 9 0 "[ . 1 . 2]" 1
480 1 31 VAL MG2 1 73 TYR QD . . 3.850 2.872 2.516 3.274 . 0 0 "[ . 1 . 2]" 1
481 1 31 VAL MG2 1 73 TYR QE . . 3.670 2.538 2.178 2.748 . 0 0 "[ . 1 . 2]" 1
482 1 32 GLY H 1 33 PHE H . . 4.380 3.717 3.602 3.900 . 0 0 "[ . 1 . 2]" 1
483 1 32 GLY HA2 1 33 PHE H . . 3.130 2.189 2.141 2.228 . 0 0 "[ . 1 . 2]" 1
484 1 32 GLY HA2 1 71 ILE H . . 4.720 4.500 4.343 4.639 . 0 0 "[ . 1 . 2]" 1
485 1 32 GLY HA2 1 72 PHE HA . . 3.740 2.254 2.014 2.388 . 0 0 "[ . 1 . 2]" 1
486 1 32 GLY HA2 1 72 PHE QD . . 4.440 2.802 2.378 3.246 . 0 0 "[ . 1 . 2]" 1
487 1 32 GLY HA2 1 73 TYR H . . 4.260 3.897 3.673 4.102 . 0 0 "[ . 1 . 2]" 1
488 1 32 GLY HA3 1 33 PHE H . . 3.460 3.410 3.294 3.457 . 0 0 "[ . 1 . 2]" 1
489 1 32 GLY HA3 1 71 ILE H . . 5.500 5.355 5.123 5.502 0.002 9 0 "[ . 1 . 2]" 1
490 1 32 GLY HA3 1 72 PHE HA . . 4.080 3.724 3.381 3.942 . 0 0 "[ . 1 . 2]" 1
491 1 32 GLY HA3 1 72 PHE QD . . 4.270 2.269 2.039 2.502 . 0 0 "[ . 1 . 2]" 1
492 1 32 GLY HA3 1 72 PHE QE . . 4.710 2.856 2.449 3.529 . 0 0 "[ . 1 . 2]" 1
493 1 32 GLY HA3 1 73 TYR H . . 5.430 5.103 4.679 5.299 . 0 0 "[ . 1 . 2]" 1
494 1 33 PHE H 1 33 PHE QD . . 3.850 2.353 2.069 2.777 . 0 0 "[ . 1 . 2]" 1
495 1 33 PHE H 1 34 VAL H . . 4.740 4.526 4.465 4.544 . 0 0 "[ . 1 . 2]" 1
496 1 33 PHE H 1 71 ILE H . . 3.630 3.569 3.393 3.631 0.001 18 0 "[ . 1 . 2]" 1
497 1 33 PHE H 1 71 ILE HB . . 4.020 3.813 3.615 4.010 . 0 0 "[ . 1 . 2]" 1
498 1 33 PHE H 1 72 PHE HA . . 4.220 3.463 3.343 3.611 . 0 0 "[ . 1 . 2]" 1
499 1 33 PHE HA 1 34 VAL H . . 3.170 2.360 2.289 2.520 . 0 0 "[ . 1 . 2]" 1
500 1 33 PHE HA 1 34 VAL HB . . 4.580 4.395 4.303 4.497 . 0 0 "[ . 1 . 2]" 1
501 1 33 PHE HA 1 34 VAL MG1 . . 4.070 3.600 3.422 3.774 . 0 0 "[ . 1 . 2]" 1
502 1 33 PHE HB2 1 34 VAL H . . 3.360 2.562 2.183 2.738 . 0 0 "[ . 1 . 2]" 1
503 1 33 PHE HB3 1 34 VAL H . . 3.960 3.860 3.585 3.959 . 0 0 "[ . 1 . 2]" 1
504 1 33 PHE QD 1 34 VAL H . . 3.750 3.379 3.048 3.743 . 0 0 "[ . 1 . 2]" 1
505 1 33 PHE QD 1 35 VAL MG2 . . 3.720 3.105 2.931 3.299 . 0 0 "[ . 1 . 2]" 1
506 1 33 PHE QD 1 71 ILE HB . . 4.820 3.604 3.429 3.877 . 0 0 "[ . 1 . 2]" 1
507 1 33 PHE QD 1 71 ILE MD . . 4.430 3.573 3.203 3.938 . 0 0 "[ . 1 . 2]" 1
508 1 33 PHE QD 1 71 ILE MG . . 4.510 4.063 3.825 4.508 . 0 0 "[ . 1 . 2]" 1
509 1 33 PHE QE 1 35 VAL MG2 . . 3.500 3.046 2.625 3.496 . 0 0 "[ . 1 . 2]" 1
510 1 33 PHE QE 1 71 ILE HB . . 4.680 2.927 2.605 3.290 . 0 0 "[ . 1 . 2]" 1
511 1 33 PHE QE 1 71 ILE MD . . 3.670 2.110 1.808 2.594 . 0 0 "[ . 1 . 2]" 1
512 1 33 PHE QE 1 71 ILE MG . . 3.770 2.713 2.335 3.143 . 0 0 "[ . 1 . 2]" 1
513 1 33 PHE QE 1 73 TYR QE . . 3.680 2.795 2.160 3.416 . 0 0 "[ . 1 . 2]" 1
514 1 33 PHE QE 1 83 ILE MD . . 4.400 3.160 2.673 3.638 . 0 0 "[ . 1 . 2]" 1
515 1 33 PHE QE 1 83 ILE MG . . 3.810 3.454 3.192 3.724 . 0 0 "[ . 1 . 2]" 1
516 1 33 PHE QE 1 85 VAL MG2 . . 3.640 3.321 2.836 3.637 . 0 0 "[ . 1 . 2]" 1
517 1 33 PHE HZ 1 71 ILE MD . . 3.970 2.302 2.042 2.541 . 0 0 "[ . 1 . 2]" 1
518 1 33 PHE HZ 1 71 ILE MG . . 4.020 2.508 2.022 3.209 . 0 0 "[ . 1 . 2]" 1
519 1 33 PHE HZ 1 83 ILE MG . . 3.720 2.962 2.648 3.380 . 0 0 "[ . 1 . 2]" 1
520 1 33 PHE HZ 1 85 VAL MG2 . . 4.280 3.709 2.995 4.234 . 0 0 "[ . 1 . 2]" 1
521 1 34 VAL H 1 34 VAL HB . . 3.440 3.250 3.076 3.415 . 0 0 "[ . 1 . 2]" 1
522 1 34 VAL H 1 34 VAL MG1 . . 3.460 2.211 2.034 2.431 . 0 0 "[ . 1 . 2]" 1
523 1 34 VAL H 1 34 VAL MG2 . . 4.110 3.913 3.874 3.951 . 0 0 "[ . 1 . 2]" 1
524 1 34 VAL HA 1 34 VAL MG1 . . 3.550 3.200 3.186 3.204 . 0 0 "[ . 1 . 2]" 1
525 1 34 VAL HA 1 34 VAL MG2 . . 3.370 2.319 2.256 2.450 . 0 0 "[ . 1 . 2]" 1
526 1 34 VAL HA 1 35 VAL H . . 2.890 2.207 2.168 2.257 . 0 0 "[ . 1 . 2]" 1
527 1 34 VAL HA 1 35 VAL HB . . 4.960 4.577 4.449 4.670 . 0 0 "[ . 1 . 2]" 1
528 1 34 VAL HA 1 35 VAL MG2 . . 4.650 3.701 3.484 3.939 . 0 0 "[ . 1 . 2]" 1
529 1 34 VAL HA 1 69 TYR H . . 4.550 4.305 4.081 4.508 . 0 0 "[ . 1 . 2]" 1
530 1 34 VAL HA 1 70 ASP HA . . 3.780 2.405 2.065 2.710 . 0 0 "[ . 1 . 2]" 1
531 1 34 VAL HA 1 71 ILE H . . 3.880 3.141 2.999 3.315 . 0 0 "[ . 1 . 2]" 1
532 1 34 VAL HB 1 35 VAL H . . 4.240 4.051 3.945 4.167 . 0 0 "[ . 1 . 2]" 1
533 1 34 VAL MG1 1 35 VAL H . . 3.890 3.836 3.684 3.892 0.002 17 0 "[ . 1 . 2]" 1
534 1 34 VAL MG2 1 35 VAL H . . 3.320 2.141 1.900 2.528 . 0 0 "[ . 1 . 2]" 1
535 1 34 VAL MG2 1 68 THR HA . . 4.290 3.709 3.296 4.218 . 0 0 "[ . 1 . 2]" 1
536 1 34 VAL MG2 1 68 THR HB . . 3.110 2.168 1.889 2.520 . 0 0 "[ . 1 . 2]" 1
537 1 34 VAL MG2 1 69 TYR H . . 3.740 2.530 2.055 2.999 . 0 0 "[ . 1 . 2]" 1
538 1 34 VAL MG2 1 69 TYR HA . . 5.090 3.792 3.618 4.223 . 0 0 "[ . 1 . 2]" 1
539 1 34 VAL MG2 1 70 ASP HA . . 4.480 2.763 2.414 3.096 . 0 0 "[ . 1 . 2]" 1
540 1 34 VAL MG2 1 70 ASP QB . . 5.140 3.615 2.590 4.087 . 0 0 "[ . 1 . 2]" 1
541 1 34 VAL MG2 1 71 ILE H . . 4.850 4.400 4.200 4.623 . 0 0 "[ . 1 . 2]" 1
542 1 35 VAL H 1 35 VAL HB . . 3.500 2.449 2.358 2.531 . 0 0 "[ . 1 . 2]" 1
543 1 35 VAL H 1 35 VAL MG1 . . 3.980 3.759 3.695 3.803 . 0 0 "[ . 1 . 2]" 1
544 1 35 VAL H 1 35 VAL MG2 . . 3.780 2.578 2.357 2.859 . 0 0 "[ . 1 . 2]" 1
545 1 35 VAL H 1 68 THR HA . . 4.970 4.599 4.268 4.809 . 0 0 "[ . 1 . 2]" 1
546 1 35 VAL H 1 68 THR HB . . 4.700 4.226 3.763 4.676 . 0 0 "[ . 1 . 2]" 1
547 1 35 VAL H 1 69 TYR H . . 3.640 2.746 2.360 2.934 . 0 0 "[ . 1 . 2]" 1
548 1 35 VAL H 1 69 TYR HA . . 5.400 4.718 4.452 4.846 . 0 0 "[ . 1 . 2]" 1
549 1 35 VAL H 1 69 TYR HB2 . . 4.110 3.409 3.180 3.734 . 0 0 "[ . 1 . 2]" 1
550 1 35 VAL H 1 69 TYR HB3 . . 4.810 4.494 4.311 4.675 . 0 0 "[ . 1 . 2]" 1
551 1 35 VAL H 1 70 ASP HA . . 4.320 3.883 3.551 4.222 . 0 0 "[ . 1 . 2]" 1
552 1 35 VAL H 1 71 ILE H . . 4.960 4.875 4.689 4.959 . 0 0 "[ . 1 . 2]" 1
553 1 35 VAL H 1 71 ILE MD . . 4.740 4.177 3.843 4.734 . 0 0 "[ . 1 . 2]" 1
554 1 35 VAL HA 1 35 VAL MG1 . . 3.220 2.432 2.320 2.545 . 0 0 "[ . 1 . 2]" 1
555 1 35 VAL HA 1 35 VAL MG2 . . 3.550 2.288 2.141 2.421 . 0 0 "[ . 1 . 2]" 1
556 1 35 VAL HA 1 36 ASP H . . 3.140 2.154 2.140 2.222 . 0 0 "[ . 1 . 2]" 1
557 1 35 VAL HA 1 36 ASP HB2 . . 4.450 4.281 4.178 4.371 . 0 0 "[ . 1 . 2]" 1
558 1 35 VAL HA 1 36 ASP HB3 . . 5.180 4.956 4.857 4.998 . 0 0 "[ . 1 . 2]" 1
559 1 35 VAL HA 1 69 TYR H . . 4.980 4.785 4.495 4.961 . 0 0 "[ . 1 . 2]" 1
560 1 35 VAL HB 1 45 VAL HB . . 4.300 4.155 3.771 4.294 . 0 0 "[ . 1 . 2]" 1
561 1 35 VAL HB 1 45 VAL MG1 . . 4.180 3.115 2.365 3.636 . 0 0 "[ . 1 . 2]" 1
562 1 35 VAL HB 1 45 VAL MG2 . . 4.240 3.056 2.492 3.377 . 0 0 "[ . 1 . 2]" 1
563 1 35 VAL HB 1 69 TYR H . . 4.220 2.953 2.616 3.446 . 0 0 "[ . 1 . 2]" 1
564 1 35 VAL HB 1 69 TYR HB2 . . 3.790 2.696 2.322 2.857 . 0 0 "[ . 1 . 2]" 1
565 1 35 VAL HB 1 69 TYR HB3 . . 4.450 4.360 3.972 4.451 0.001 5 0 "[ . 1 . 2]" 1
566 1 35 VAL HB 1 69 TYR QD . . 4.430 3.682 2.826 4.362 . 0 0 "[ . 1 . 2]" 1
567 1 35 VAL MG1 1 36 ASP H . . 3.720 2.589 2.040 3.105 . 0 0 "[ . 1 . 2]" 1
568 1 35 VAL MG1 1 45 VAL MG2 . . 3.570 2.361 2.006 2.680 . 0 0 "[ . 1 . 2]" 1
569 1 35 VAL MG1 1 68 THR HA . . 5.290 4.134 3.707 4.642 . 0 0 "[ . 1 . 2]" 1
570 1 35 VAL MG2 1 36 ASP H . . 4.090 3.974 3.792 4.091 0.001 6 0 "[ . 1 . 2]" 1
571 1 35 VAL MG2 1 45 VAL MG1 . . 3.390 2.063 1.803 2.309 . 0 0 "[ . 1 . 2]" 1
572 1 35 VAL MG2 1 69 TYR H . . 5.210 4.212 3.824 4.643 . 0 0 "[ . 1 . 2]" 1
573 1 35 VAL MG2 1 71 ILE MD . . 3.050 2.819 2.556 3.044 . 0 0 "[ . 1 . 2]" 1
574 1 36 ASP H 1 36 ASP HB2 . . 3.600 2.552 2.353 2.754 . 0 0 "[ . 1 . 2]" 1
575 1 36 ASP H 1 36 ASP HB3 . . 3.750 2.846 2.751 2.911 . 0 0 "[ . 1 . 2]" 1
576 1 36 ASP H 1 37 ALA H . . 4.760 4.467 4.358 4.526 . 0 0 "[ . 1 . 2]" 1
577 1 36 ASP HA 1 37 ALA H . . 3.070 2.165 2.145 2.213 . 0 0 "[ . 1 . 2]" 1
578 1 36 ASP HA 1 37 ALA MB . . 4.120 3.923 3.848 3.976 . 0 0 "[ . 1 . 2]" 1
579 1 36 ASP HA 1 68 THR HA . . 3.830 3.593 3.260 3.813 . 0 0 "[ . 1 . 2]" 1
580 1 36 ASP HA 1 68 THR MG . . 3.450 2.063 1.797 2.494 . 0 0 "[ . 1 . 2]" 1
581 1 36 ASP HA 1 69 TYR H . . 4.770 4.691 4.545 4.773 0.003 18 0 "[ . 1 . 2]" 1
582 1 36 ASP HB2 1 37 ALA H . . 4.670 4.364 4.252 4.427 . 0 0 "[ . 1 . 2]" 1
583 1 36 ASP HB2 1 68 THR MG . . 4.620 3.682 3.154 4.212 . 0 0 "[ . 1 . 2]" 1
584 1 36 ASP HB3 1 37 ALA H . . 4.370 3.885 3.706 3.985 . 0 0 "[ . 1 . 2]" 1
585 1 36 ASP HB3 1 38 LYS H . . 5.500 5.497 5.421 5.523 0.023 17 0 "[ . 1 . 2]" 1
586 1 36 ASP HB3 1 68 THR MG . . 5.330 4.410 4.008 4.856 . 0 0 "[ . 1 . 2]" 1
587 1 37 ALA H 1 37 ALA MB . . 3.480 2.474 2.393 2.564 . 0 0 "[ . 1 . 2]" 1
588 1 37 ALA H 1 38 LYS HA . . 4.950 4.846 4.785 4.948 . 0 0 "[ . 1 . 2]" 1
589 1 37 ALA H 1 38 LYS HG2 . . 5.410 4.975 4.248 5.409 . 0 0 "[ . 1 . 2]" 1
590 1 37 ALA H 1 68 THR HA . . 4.340 4.003 3.637 4.309 . 0 0 "[ . 1 . 2]" 1
591 1 37 ALA H 1 68 THR HB . . 5.500 5.338 4.758 5.499 . 0 0 "[ . 1 . 2]" 1
592 1 37 ALA H 1 68 THR MG . . 3.890 2.767 2.481 3.124 . 0 0 "[ . 1 . 2]" 1
593 1 37 ALA HA 1 39 THR H . . 4.670 4.236 3.938 4.619 . 0 0 "[ . 1 . 2]" 1
594 1 37 ALA HA 1 40 ALA H . . 4.180 3.926 3.765 4.097 . 0 0 "[ . 1 . 2]" 1
595 1 37 ALA HA 1 40 ALA MB . . 4.060 3.072 2.971 3.486 . 0 0 "[ . 1 . 2]" 1
596 1 37 ALA MB 1 38 LYS H . . 3.940 3.129 3.084 3.175 . 0 0 "[ . 1 . 2]" 1
597 1 37 ALA MB 1 38 LYS HA . . 4.810 4.129 4.001 4.226 . 0 0 "[ . 1 . 2]" 1
598 1 37 ALA MB 1 40 ALA H . . 4.140 3.562 3.152 3.937 . 0 0 "[ . 1 . 2]" 1
599 1 37 ALA MB 1 45 VAL MG2 . . 4.360 4.221 4.020 4.353 . 0 0 "[ . 1 . 2]" 1
600 1 37 ALA MB 1 68 THR HA . . 4.770 4.102 3.569 4.492 . 0 0 "[ . 1 . 2]" 1
601 1 37 ALA MB 1 87 PHE QD . . 4.580 4.379 4.005 4.582 0.002 17 0 "[ . 1 . 2]" 1
602 1 37 ALA MB 1 87 PHE QE . . 4.130 3.462 3.039 3.857 . 0 0 "[ . 1 . 2]" 1
603 1 38 LYS H 1 38 LYS HB2 . . 4.070 3.303 2.649 3.786 . 0 0 "[ . 1 . 2]" 1
604 1 38 LYS H 1 38 LYS QB . . 3.430 2.904 2.593 3.079 . 0 0 "[ . 1 . 2]" 1
605 1 38 LYS H 1 38 LYS HB3 . . 4.070 3.465 3.223 3.788 . 0 0 "[ . 1 . 2]" 1
606 1 38 LYS H 1 38 LYS HD2 . . 5.050 4.678 4.360 4.901 . 0 0 "[ . 1 . 2]" 1
607 1 38 LYS H 1 38 LYS QD . . 4.330 4.095 3.825 4.330 0.000 6 0 "[ . 1 . 2]" 1
608 1 38 LYS H 1 38 LYS HD3 . . 5.050 4.549 4.142 4.978 . 0 0 "[ . 1 . 2]" 1
609 1 38 LYS H 1 38 LYS HG2 . . 3.370 2.399 1.915 3.094 . 0 0 "[ . 1 . 2]" 1
610 1 38 LYS H 1 38 LYS HG3 . . 3.440 2.802 2.361 3.443 0.003 3 0 "[ . 1 . 2]" 1
611 1 38 LYS H 1 39 THR H . . 3.600 2.257 1.983 2.639 . 0 0 "[ . 1 . 2]" 1
612 1 38 LYS H 1 39 THR MG . . 4.450 4.062 3.416 4.453 0.003 17 0 "[ . 1 . 2]" 1
613 1 38 LYS H 1 40 ALA H . . 4.510 2.803 2.685 3.029 . 0 0 "[ . 1 . 2]" 1
614 1 38 LYS HA 1 38 LYS QD . . 4.650 4.009 2.568 4.447 . 0 0 "[ . 1 . 2]" 1
615 1 38 LYS HA 1 38 LYS HG2 . . 3.910 3.252 2.623 3.730 . 0 0 "[ . 1 . 2]" 1
616 1 38 LYS HA 1 38 LYS HG3 . . 4.010 3.765 3.596 3.904 . 0 0 "[ . 1 . 2]" 1
617 1 38 LYS QB 1 38 LYS QE . . 3.750 2.885 1.998 3.674 . 0 0 "[ . 1 . 2]" 1
618 1 38 LYS QB 1 39 THR H . . 3.580 2.671 1.899 3.312 . 0 0 "[ . 1 . 2]" 1
619 1 38 LYS QB 1 39 THR MG . . 4.900 2.926 2.178 4.241 . 0 0 "[ . 1 . 2]" 1
620 1 38 LYS HB2 1 38 LYS HD2 . . 3.910 3.045 2.365 3.766 . 0 0 "[ . 1 . 2]" 1
621 1 38 LYS HB2 1 38 LYS HD3 . . 3.910 3.351 2.358 3.974 0.064 20 0 "[ . 1 . 2]" 1
622 1 38 LYS HB2 1 38 LYS HE2 . . 4.960 3.993 2.254 4.950 . 0 0 "[ . 1 . 2]" 1
623 1 38 LYS HB2 1 38 LYS HE3 . . 4.960 3.996 2.178 5.078 0.118 20 0 "[ . 1 . 2]" 1
624 1 38 LYS HB2 1 39 THR H . . 4.320 2.789 1.911 3.559 . 0 0 "[ . 1 . 2]" 1
625 1 38 LYS HB3 1 38 LYS HD2 . . 3.910 2.763 2.065 3.759 . 0 0 "[ . 1 . 2]" 1
626 1 38 LYS HB3 1 38 LYS HD3 . . 3.910 2.903 2.126 3.565 . 0 0 "[ . 1 . 2]" 1
627 1 38 LYS HB3 1 38 LYS HE2 . . 4.960 3.777 2.032 4.796 . 0 0 "[ . 1 . 2]" 1
628 1 38 LYS HB3 1 38 LYS HE3 . . 4.960 3.966 2.975 4.648 . 0 0 "[ . 1 . 2]" 1
629 1 38 LYS HB3 1 39 THR H . . 4.320 3.700 3.215 3.988 . 0 0 "[ . 1 . 2]" 1
630 1 38 LYS QE 1 38 LYS HG2 . . 3.640 2.730 2.126 3.445 . 0 0 "[ . 1 . 2]" 1
631 1 38 LYS HE2 1 38 LYS HG3 . . 3.940 3.218 2.071 3.937 . 0 0 "[ . 1 . 2]" 1
632 1 38 LYS HE3 1 38 LYS HG3 . . 3.940 2.917 2.119 3.730 . 0 0 "[ . 1 . 2]" 1
633 1 38 LYS HG2 1 39 THR H . . 4.840 3.359 2.361 4.426 . 0 0 "[ . 1 . 2]" 1
634 1 38 LYS HG2 1 39 THR MG . . 5.070 4.280 3.127 5.070 0.000 2 0 "[ . 1 . 2]" 1
635 1 38 LYS HG3 1 39 THR H . . 4.870 2.725 1.905 4.059 . 0 0 "[ . 1 . 2]" 1
636 1 38 LYS HG3 1 39 THR MG . . 4.360 3.199 2.038 4.299 . 0 0 "[ . 1 . 2]" 1
637 1 39 THR H 1 39 THR MG . . 3.630 2.301 1.896 2.974 . 0 0 "[ . 1 . 2]" 1
638 1 39 THR H 1 40 ALA H . . 3.130 2.033 1.825 2.284 . 0 0 "[ . 1 . 2]" 1
639 1 39 THR H 1 40 ALA MB . . 4.440 3.660 3.418 3.911 . 0 0 "[ . 1 . 2]" 1
640 1 39 THR H 1 41 GLY H . . 4.710 4.370 4.060 4.690 . 0 0 "[ . 1 . 2]" 1
641 1 39 THR HA 1 39 THR MG . . 3.290 2.773 2.193 3.206 . 0 0 "[ . 1 . 2]" 1
642 1 39 THR HA 1 40 ALA MB . . 5.090 4.808 4.692 4.853 . 0 0 "[ . 1 . 2]" 1
643 1 39 THR HA 1 41 GLY H . . 4.080 3.734 3.215 4.079 . 0 0 "[ . 1 . 2]" 1
644 1 39 THR HB 1 40 ALA H . . 4.630 4.195 3.935 4.532 . 0 0 "[ . 1 . 2]" 1
645 1 39 THR MG 1 40 ALA H . . 4.220 3.370 2.180 4.208 . 0 0 "[ . 1 . 2]" 1
646 1 40 ALA H 1 40 ALA MB . . 2.990 2.113 2.038 2.251 . 0 0 "[ . 1 . 2]" 1
647 1 40 ALA H 1 41 GLY H . . 3.170 2.989 2.613 3.178 0.008 2 0 "[ . 1 . 2]" 1
648 1 40 ALA H 1 41 GLY HA2 . . 5.500 5.169 4.901 5.238 . 0 0 "[ . 1 . 2]" 1
649 1 40 ALA H 1 41 GLY QA . . 4.760 4.707 4.488 4.764 0.004 18 0 "[ . 1 . 2]" 1
650 1 40 ALA H 1 41 GLY HA3 . . 5.500 5.421 5.207 5.482 . 0 0 "[ . 1 . 2]" 1
651 1 40 ALA MB 1 41 GLY H . . 3.720 2.747 2.460 3.680 . 0 0 "[ . 1 . 2]" 1
652 1 40 ALA MB 1 87 PHE QD . . 4.480 3.676 3.276 4.071 . 0 0 "[ . 1 . 2]" 1
653 1 40 ALA MB 1 87 PHE QE . . 3.880 2.954 2.408 3.631 . 0 0 "[ . 1 . 2]" 1
654 1 40 ALA MB 1 87 PHE HZ . . 4.020 2.948 2.444 3.864 . 0 0 "[ . 1 . 2]" 1
655 1 41 GLY QA 1 42 LYS H . . 2.760 2.146 2.108 2.252 . 0 0 "[ . 1 . 2]" 1
656 1 41 GLY QA 1 42 LYS QB . . 4.610 3.819 3.749 3.952 . 0 0 "[ . 1 . 2]" 1
657 1 41 GLY HA2 1 42 LYS H . . 3.250 3.058 2.745 3.247 . 0 0 "[ . 1 . 2]" 1
658 1 41 GLY HA3 1 42 LYS H . . 3.250 2.196 2.136 2.393 . 0 0 "[ . 1 . 2]" 1
659 1 42 LYS H 1 42 LYS QB . . 2.890 2.352 2.287 2.466 . 0 0 "[ . 1 . 2]" 1
660 1 42 LYS H 1 42 LYS QD . . 5.500 4.480 2.771 4.779 . 0 0 "[ . 1 . 2]" 1
661 1 42 LYS H 1 42 LYS HG2 . . 4.670 4.520 4.325 4.673 0.003 15 0 "[ . 1 . 2]" 1
662 1 42 LYS H 1 42 LYS QG . . 4.020 3.998 3.858 4.034 0.014 9 0 "[ . 1 . 2]" 1
663 1 42 LYS H 1 42 LYS HG3 . . 4.670 4.476 4.208 4.659 . 0 0 "[ . 1 . 2]" 1
664 1 42 LYS H 1 43 GLY H . . 4.660 4.546 4.455 4.594 . 0 0 "[ . 1 . 2]" 1
665 1 42 LYS H 1 87 PHE QE . . 4.840 4.209 3.403 4.662 . 0 0 "[ . 1 . 2]" 1
666 1 42 LYS H 1 87 PHE HZ . . 4.670 3.727 3.058 4.500 . 0 0 "[ . 1 . 2]" 1
667 1 42 LYS HA 1 42 LYS QD . . 4.280 3.452 2.163 4.220 . 0 0 "[ . 1 . 2]" 1
668 1 42 LYS HA 1 42 LYS HG2 . . 4.120 3.214 2.202 3.891 . 0 0 "[ . 1 . 2]" 1
669 1 42 LYS HA 1 42 LYS QG . . 3.620 2.475 2.180 2.967 . 0 0 "[ . 1 . 2]" 1
670 1 42 LYS HA 1 42 LYS HG3 . . 4.120 2.705 2.239 3.521 . 0 0 "[ . 1 . 2]" 1
671 1 42 LYS HA 1 43 GLY H . . 2.660 2.290 2.192 2.498 . 0 0 "[ . 1 . 2]" 1
672 1 42 LYS HA 1 43 GLY QA . . 4.770 3.951 3.923 3.994 . 0 0 "[ . 1 . 2]" 1
673 1 42 LYS HA 1 87 PHE HZ . . 4.790 3.313 2.517 3.886 . 0 0 "[ . 1 . 2]" 1
674 1 42 LYS QB 1 43 GLY H . . 3.570 3.397 2.279 3.563 . 0 0 "[ . 1 . 2]" 1
675 1 42 LYS QD 1 43 GLY H . . 4.640 3.643 2.194 4.591 . 0 0 "[ . 1 . 2]" 1
676 1 42 LYS HG2 1 43 GLY H . . 4.200 2.931 2.059 4.114 . 0 0 "[ . 1 . 2]" 1
677 1 42 LYS HG3 1 43 GLY H . . 4.200 2.753 1.959 4.198 . 0 0 "[ . 1 . 2]" 1
678 1 43 GLY H 1 44 LYS H . . 4.320 4.256 4.156 4.358 0.038 13 0 "[ . 1 . 2]" 1
679 1 43 GLY H 1 87 PHE QE . . 4.520 3.797 3.209 4.304 . 0 0 "[ . 1 . 2]" 1
680 1 43 GLY H 1 87 PHE HZ . . 4.010 3.703 3.268 4.011 0.001 15 0 "[ . 1 . 2]" 1
681 1 43 GLY QA 1 44 LYS H . . 2.740 2.216 2.178 2.261 . 0 0 "[ . 1 . 2]" 1
682 1 43 GLY QA 1 87 PHE QE . . 4.070 3.053 2.677 3.355 . 0 0 "[ . 1 . 2]" 1
683 1 43 GLY HA2 1 44 LYS H . . 3.130 2.338 2.243 2.815 . 0 0 "[ . 1 . 2]" 1
684 1 43 GLY HA2 1 87 PHE QE . . 4.910 4.394 3.975 4.712 . 0 0 "[ . 1 . 2]" 1
685 1 43 GLY HA2 1 88 GLY H . . 4.640 4.090 3.485 4.619 . 0 0 "[ . 1 . 2]" 1
686 1 43 GLY HA3 1 44 LYS H . . 3.130 2.826 2.338 2.951 . 0 0 "[ . 1 . 2]" 1
687 1 43 GLY HA3 1 87 PHE QE . . 4.910 3.115 2.717 3.448 . 0 0 "[ . 1 . 2]" 1
688 1 43 GLY HA3 1 88 GLY H . . 4.640 3.493 3.051 4.121 . 0 0 "[ . 1 . 2]" 1
689 1 44 LYS H 1 44 LYS HB2 . . 3.810 2.496 2.254 3.680 . 0 0 "[ . 1 . 2]" 1
690 1 44 LYS H 1 44 LYS QB . . 3.130 2.373 2.194 2.829 . 0 0 "[ . 1 . 2]" 1
691 1 44 LYS H 1 44 LYS HB3 . . 3.810 3.510 2.232 3.774 . 0 0 "[ . 1 . 2]" 1
692 1 44 LYS H 1 44 LYS HG2 . . 4.300 3.797 2.355 4.303 0.003 2 0 "[ . 1 . 2]" 1
693 1 44 LYS H 1 44 LYS QG . . 3.620 3.052 2.318 3.667 0.047 11 0 "[ . 1 . 2]" 1
694 1 44 LYS H 1 44 LYS HG3 . . 4.300 3.438 2.674 4.334 0.034 11 0 "[ . 1 . 2]" 1
695 1 44 LYS H 1 45 VAL H . . 4.650 4.525 4.404 4.576 . 0 0 "[ . 1 . 2]" 1
696 1 44 LYS H 1 88 GLY H . . 3.720 2.595 1.885 3.077 . 0 0 "[ . 1 . 2]" 1
697 1 44 LYS H 1 88 GLY HA2 . . 4.320 2.479 1.902 3.112 . 0 0 "[ . 1 . 2]" 1
698 1 44 LYS H 1 88 GLY QA . . 3.720 2.428 1.889 3.031 . 0 0 "[ . 1 . 2]" 1
699 1 44 LYS H 1 88 GLY HA3 . . 4.320 3.522 3.152 4.177 . 0 0 "[ . 1 . 2]" 1
700 1 44 LYS HA 1 44 LYS QD . . 4.240 3.456 2.028 4.112 . 0 0 "[ . 1 . 2]" 1
701 1 44 LYS HA 1 45 VAL H . . 3.020 2.243 2.147 2.409 . 0 0 "[ . 1 . 2]" 1
702 1 44 LYS HA 1 45 VAL HB . . 4.660 4.628 4.582 4.661 0.001 17 0 "[ . 1 . 2]" 1
703 1 44 LYS HA 1 45 VAL MG2 . . 4.260 3.505 3.211 3.715 . 0 0 "[ . 1 . 2]" 1
704 1 44 LYS QB 1 45 VAL H . . 3.500 2.900 2.413 3.505 0.005 11 0 "[ . 1 . 2]" 1
705 1 44 LYS QB 1 46 THR H . . 5.340 4.662 4.406 5.090 . 0 0 "[ . 1 . 2]" 1
706 1 44 LYS QB 1 46 THR MG . . 3.590 3.196 2.898 3.575 . 0 0 "[ . 1 . 2]" 1
707 1 44 LYS HB2 1 45 VAL H . . 4.370 3.991 3.118 4.357 . 0 0 "[ . 1 . 2]" 1
708 1 44 LYS HB2 1 46 THR MG . . 4.260 3.949 2.948 4.260 . 11 0 "[ . 1 . 2]" 1
709 1 44 LYS HB2 1 88 GLY H . . 5.150 3.916 3.449 5.076 . 0 0 "[ . 1 . 2]" 1
710 1 44 LYS HB3 1 45 VAL H . . 4.370 3.051 2.463 4.263 . 0 0 "[ . 1 . 2]" 1
711 1 44 LYS HB3 1 46 THR MG . . 4.260 3.449 3.134 4.272 0.012 15 0 "[ . 1 . 2]" 1
712 1 44 LYS HB3 1 88 GLY H . . 5.150 4.721 3.738 5.148 . 0 0 "[ . 1 . 2]" 1
713 1 44 LYS QG 1 45 VAL H . . 4.340 3.837 2.314 4.338 . 0 0 "[ . 1 . 2]" 1
714 1 44 LYS HG2 1 45 VAL H . . 4.990 4.319 3.575 4.980 . 0 0 "[ . 1 . 2]" 1
715 1 44 LYS HG3 1 45 VAL H . . 4.990 4.542 2.334 4.997 0.007 15 0 "[ . 1 . 2]" 1
716 1 45 VAL H 1 45 VAL HB . . 3.050 2.610 2.529 2.740 . 0 0 "[ . 1 . 2]" 1
717 1 45 VAL H 1 45 VAL MG1 . . 3.970 3.838 3.801 3.898 . 0 0 "[ . 1 . 2]" 1
718 1 45 VAL H 1 45 VAL MG2 . . 3.050 2.652 2.421 2.877 . 0 0 "[ . 1 . 2]" 1
719 1 45 VAL H 1 46 THR H . . 4.460 4.250 4.108 4.373 . 0 0 "[ . 1 . 2]" 1
720 1 45 VAL H 1 46 THR MG . . 4.980 4.180 3.906 4.477 . 0 0 "[ . 1 . 2]" 1
721 1 45 VAL HA 1 45 VAL MG1 . . 3.630 2.354 2.244 2.451 . 0 0 "[ . 1 . 2]" 1
722 1 45 VAL HA 1 45 VAL MG2 . . 3.580 2.369 2.276 2.480 . 0 0 "[ . 1 . 2]" 1
723 1 45 VAL HA 1 46 THR H . . 2.810 2.149 2.139 2.186 . 0 0 "[ . 1 . 2]" 1
724 1 45 VAL HA 1 46 THR MG . . 4.890 3.888 3.720 4.066 . 0 0 "[ . 1 . 2]" 1
725 1 45 VAL HA 1 85 VAL MG1 . . 5.490 4.021 3.710 4.358 . 0 0 "[ . 1 . 2]" 1
726 1 45 VAL HA 1 86 ARG H . . 4.070 3.906 3.728 4.053 . 0 0 "[ . 1 . 2]" 1
727 1 45 VAL HA 1 87 PHE HA . . 4.210 2.931 2.687 3.219 . 0 0 "[ . 1 . 2]" 1
728 1 45 VAL HA 1 88 GLY H . . 4.180 3.952 3.536 4.181 0.001 15 0 "[ . 1 . 2]" 1
729 1 45 VAL HB 1 46 THR H . . 4.460 4.320 4.217 4.410 . 0 0 "[ . 1 . 2]" 1
730 1 45 VAL HB 1 69 TYR HB2 . . 4.520 2.867 2.337 3.305 . 0 0 "[ . 1 . 2]" 1
731 1 45 VAL HB 1 69 TYR HB3 . . 4.510 3.364 2.819 3.796 . 0 0 "[ . 1 . 2]" 1
732 1 45 VAL HB 1 69 TYR QD . . 4.150 3.184 2.829 3.640 . 0 0 "[ . 1 . 2]" 1
733 1 45 VAL HB 1 69 TYR QE . . 4.880 4.051 3.687 4.437 . 0 0 "[ . 1 . 2]" 1
734 1 45 VAL MG1 1 46 THR H . . 3.160 2.833 2.423 3.085 . 0 0 "[ . 1 . 2]" 1
735 1 45 VAL MG1 1 46 THR HA . . 4.750 3.859 3.716 4.011 . 0 0 "[ . 1 . 2]" 1
736 1 45 VAL MG1 1 47 CYS H . . 4.940 4.554 4.418 4.757 . 0 0 "[ . 1 . 2]" 1
737 1 45 VAL MG1 1 69 TYR HB2 . . 4.630 3.121 2.491 3.895 . 0 0 "[ . 1 . 2]" 1
738 1 45 VAL MG1 1 69 TYR HB3 . . 4.510 3.746 2.896 4.349 . 0 0 "[ . 1 . 2]" 1
739 1 45 VAL MG1 1 85 VAL MG1 . . 3.260 2.232 2.042 2.726 . 0 0 "[ . 1 . 2]" 1
740 1 45 VAL MG1 1 86 ARG H . . 4.160 3.290 2.709 3.723 . 0 0 "[ . 1 . 2]" 1
741 1 45 VAL MG2 1 46 THR H . . 4.260 4.140 4.018 4.239 . 0 0 "[ . 1 . 2]" 1
742 1 45 VAL MG2 1 69 TYR HB2 . . 4.720 3.264 2.590 3.737 . 0 0 "[ . 1 . 2]" 1
743 1 45 VAL MG2 1 69 TYR HB3 . . 5.010 4.341 3.877 4.734 . 0 0 "[ . 1 . 2]" 1
744 1 45 VAL MG2 1 69 TYR QD . . 3.860 2.986 2.499 3.615 . 0 0 "[ . 1 . 2]" 1
745 1 45 VAL MG2 1 69 TYR QE . . 3.730 3.348 2.543 3.727 . 0 0 "[ . 1 . 2]" 1
746 1 45 VAL MG2 1 87 PHE HA . . 4.390 2.980 2.520 3.308 . 0 0 "[ . 1 . 2]" 1
747 1 45 VAL MG2 1 87 PHE HB2 . . 5.050 3.155 2.465 3.674 . 0 0 "[ . 1 . 2]" 1
748 1 45 VAL MG2 1 87 PHE QB . . 4.270 3.098 2.444 3.576 . 0 0 "[ . 1 . 2]" 1
749 1 45 VAL MG2 1 87 PHE HB3 . . 5.050 4.552 4.041 4.907 . 0 0 "[ . 1 . 2]" 1
750 1 45 VAL MG2 1 87 PHE QD . . 3.170 2.087 1.858 2.378 . 0 0 "[ . 1 . 2]" 1
751 1 45 VAL MG2 1 87 PHE QE . . 4.140 3.342 2.698 3.904 . 0 0 "[ . 1 . 2]" 1
752 1 45 VAL MG2 1 88 GLY H . . 4.650 4.127 3.587 4.462 . 0 0 "[ . 1 . 2]" 1
753 1 46 THR H 1 46 THR MG . . 3.490 2.728 2.434 2.954 . 0 0 "[ . 1 . 2]" 1
754 1 46 THR H 1 86 ARG HB2 . . 5.500 5.332 5.114 5.503 0.003 5 0 "[ . 1 . 2]" 1
755 1 46 THR H 1 87 PHE HA . . 4.570 4.302 4.033 4.572 0.002 8 0 "[ . 1 . 2]" 1
756 1 46 THR H 1 88 GLY H . . 5.160 5.025 4.712 5.161 0.001 12 0 "[ . 1 . 2]" 1
757 1 46 THR HA 1 46 THR MG . . 3.180 2.332 2.209 2.476 . 0 0 "[ . 1 . 2]" 1
758 1 46 THR HA 1 47 CYS H . . 2.860 2.202 2.177 2.237 . 0 0 "[ . 1 . 2]" 1
759 1 46 THR HA 1 61 VAL MG2 . . 4.070 3.298 2.888 3.700 . 0 0 "[ . 1 . 2]" 1
760 1 46 THR HB 1 47 CYS H . . 3.120 2.990 2.852 3.108 . 0 0 "[ . 1 . 2]" 1
761 1 46 THR MG 1 47 CYS H . . 3.990 3.871 3.703 3.993 0.003 15 0 "[ . 1 . 2]" 1
762 1 47 CYS H 1 47 CYS HB2 . . 3.860 3.217 3.121 3.348 . 0 0 "[ . 1 . 2]" 1
763 1 47 CYS H 1 47 CYS HB3 . . 3.570 2.541 2.480 2.609 . 0 0 "[ . 1 . 2]" 1
764 1 47 CYS H 1 48 THR HA . . 5.100 5.008 4.951 5.068 . 0 0 "[ . 1 . 2]" 1
765 1 47 CYS H 1 59 ALA MB . . 4.570 4.339 4.079 4.526 . 0 0 "[ . 1 . 2]" 1
766 1 47 CYS H 1 61 VAL MG2 . . 3.680 2.822 2.304 3.130 . 0 0 "[ . 1 . 2]" 1
767 1 47 CYS H 1 71 ILE MD . . 4.600 3.782 3.198 4.143 . 0 0 "[ . 1 . 2]" 1
768 1 47 CYS H 1 71 ILE MG . . 5.480 4.701 4.351 4.987 . 0 0 "[ . 1 . 2]" 1
769 1 47 CYS HA 1 48 THR H . . 2.890 2.238 2.201 2.261 . 0 0 "[ . 1 . 2]" 1
770 1 47 CYS HA 1 48 THR HB . . 4.830 4.531 4.416 4.646 . 0 0 "[ . 1 . 2]" 1
771 1 47 CYS HA 1 83 ILE MG . . 4.520 3.529 3.407 3.792 . 0 0 "[ . 1 . 2]" 1
772 1 47 CYS HA 1 85 VAL HA . . 3.830 3.079 2.876 3.247 . 0 0 "[ . 1 . 2]" 1
773 1 47 CYS HA 1 85 VAL MG1 . . 4.610 4.039 3.738 4.390 . 0 0 "[ . 1 . 2]" 1
774 1 47 CYS HA 1 85 VAL MG2 . . 4.500 3.146 2.753 3.536 . 0 0 "[ . 1 . 2]" 1
775 1 47 CYS HB2 1 48 THR H . . 4.030 3.906 3.778 4.016 . 0 0 "[ . 1 . 2]" 1
776 1 47 CYS HB2 1 59 ALA MB . . 4.290 4.152 3.951 4.289 . 0 0 "[ . 1 . 2]" 1
777 1 47 CYS HB2 1 61 VAL MG2 . . 3.810 3.650 3.131 3.803 . 0 0 "[ . 1 . 2]" 1
778 1 47 CYS HB2 1 71 ILE MD . . 3.610 1.938 1.790 2.097 . 0 0 "[ . 1 . 2]" 1
779 1 47 CYS HB2 1 71 ILE MG . . 3.920 3.087 2.764 3.538 . 0 0 "[ . 1 . 2]" 1
780 1 47 CYS HB2 1 85 VAL MG1 . . 4.480 3.999 3.629 4.422 . 0 0 "[ . 1 . 2]" 1
781 1 47 CYS HB2 1 85 VAL MG2 . . 4.680 3.363 2.987 3.871 . 0 0 "[ . 1 . 2]" 1
782 1 47 CYS HB3 1 48 THR H . . 4.300 4.049 3.923 4.128 . 0 0 "[ . 1 . 2]" 1
783 1 47 CYS HB3 1 59 ALA MB . . 3.370 2.880 2.743 2.989 . 0 0 "[ . 1 . 2]" 1
784 1 47 CYS HB3 1 61 VAL MG2 . . 2.910 2.705 2.369 2.909 . 0 0 "[ . 1 . 2]" 1
785 1 47 CYS HB3 1 71 ILE MD . . 3.870 2.569 2.216 3.119 . 0 0 "[ . 1 . 2]" 1
786 1 47 CYS HB3 1 71 ILE MG . . 3.850 2.553 2.150 2.862 . 0 0 "[ . 1 . 2]" 1
787 1 48 THR H 1 48 THR HB . . 3.570 2.861 2.787 2.955 . 0 0 "[ . 1 . 2]" 1
788 1 48 THR H 1 48 THR MG . . 4.560 3.932 3.876 3.986 . 0 0 "[ . 1 . 2]" 1
789 1 48 THR H 1 49 VAL H . . 4.620 3.947 3.870 4.047 . 0 0 "[ . 1 . 2]" 1
790 1 48 THR H 1 49 VAL HA . . 4.580 4.523 4.462 4.579 . 0 0 "[ . 1 . 2]" 1
791 1 48 THR H 1 83 ILE HA . . 4.260 3.893 3.718 4.157 . 0 0 "[ . 1 . 2]" 1
792 1 48 THR H 1 83 ILE MG . . 4.240 2.651 2.405 2.941 . 0 0 "[ . 1 . 2]" 1
793 1 48 THR H 1 84 TYR H . . 3.820 2.691 2.474 2.837 . 0 0 "[ . 1 . 2]" 1
794 1 48 THR H 1 84 TYR HB2 . . 3.840 3.491 3.320 3.653 . 0 0 "[ . 1 . 2]" 1
795 1 48 THR H 1 84 TYR HB3 . . 4.990 4.848 4.717 4.989 . 0 0 "[ . 1 . 2]" 1
796 1 48 THR H 1 85 VAL MG2 . . 4.520 3.853 3.509 4.255 . 0 0 "[ . 1 . 2]" 1
797 1 48 THR HA 1 48 THR MG . . 2.830 2.374 2.210 2.491 . 0 0 "[ . 1 . 2]" 1
798 1 48 THR HA 1 49 VAL H . . 2.870 2.160 2.143 2.180 . 0 0 "[ . 1 . 2]" 1
799 1 48 THR HA 1 49 VAL HB . . 4.710 4.669 4.608 4.706 . 0 0 "[ . 1 . 2]" 1
800 1 48 THR HA 1 49 VAL MG2 . . 4.130 3.805 3.662 3.935 . 0 0 "[ . 1 . 2]" 1
801 1 48 THR HB 1 49 VAL H . . 4.470 4.372 4.280 4.439 . 0 0 "[ . 1 . 2]" 1
802 1 48 THR HB 1 84 TYR H . . 4.280 2.926 2.750 3.121 . 0 0 "[ . 1 . 2]" 1
803 1 48 THR HB 1 84 TYR HB2 . . 3.540 2.120 1.999 2.231 . 0 0 "[ . 1 . 2]" 1
804 1 48 THR HB 1 84 TYR HB3 . . 3.950 3.821 3.673 3.948 . 0 0 "[ . 1 . 2]" 1
805 1 48 THR HB 1 84 TYR QD . . 3.980 2.426 2.035 3.097 . 0 0 "[ . 1 . 2]" 1
806 1 48 THR MG 1 49 VAL H . . 3.420 2.988 2.746 3.127 . 0 0 "[ . 1 . 2]" 1
807 1 48 THR MG 1 50 LEU H . . 4.500 4.186 3.969 4.432 . 0 0 "[ . 1 . 2]" 1
808 1 48 THR MG 1 50 LEU HA . . 4.620 4.013 3.907 4.176 . 0 0 "[ . 1 . 2]" 1
809 1 48 THR MG 1 56 GLU HA . . 4.190 4.022 3.658 4.149 . 0 0 "[ . 1 . 2]" 1
810 1 48 THR MG 1 56 GLU QB . . 3.440 2.945 2.278 3.358 . 0 0 "[ . 1 . 2]" 1
811 1 48 THR MG 1 56 GLU QG . . 3.250 3.105 2.858 3.251 0.001 19 0 "[ . 1 . 2]" 1
812 1 48 THR MG 1 84 TYR H . . 4.320 4.009 3.724 4.266 . 0 0 "[ . 1 . 2]" 1
813 1 48 THR MG 1 84 TYR QD . . 4.220 2.573 2.169 3.220 . 0 0 "[ . 1 . 2]" 1
814 1 49 VAL H 1 49 VAL HB . . 3.210 2.529 2.468 2.574 . 0 0 "[ . 1 . 2]" 1
815 1 49 VAL H 1 49 VAL MG1 . . 4.020 3.782 3.765 3.795 . 0 0 "[ . 1 . 2]" 1
816 1 49 VAL H 1 49 VAL MG2 . . 3.580 2.345 2.216 2.471 . 0 0 "[ . 1 . 2]" 1
817 1 49 VAL H 1 50 LEU H . . 4.440 4.415 4.376 4.444 0.004 15 0 "[ . 1 . 2]" 1
818 1 49 VAL H 1 59 ALA H . . 4.850 4.537 4.039 4.847 . 0 0 "[ . 1 . 2]" 1
819 1 49 VAL H 1 59 ALA MB . . 4.840 2.972 2.563 3.451 . 0 0 "[ . 1 . 2]" 1
820 1 49 VAL H 1 83 ILE HA . . 5.340 4.837 4.707 5.048 . 0 0 "[ . 1 . 2]" 1
821 1 49 VAL HA 1 49 VAL MG1 . . 3.480 2.349 2.237 2.449 . 0 0 "[ . 1 . 2]" 1
822 1 49 VAL HA 1 49 VAL MG2 . . 3.400 2.361 2.276 2.464 . 0 0 "[ . 1 . 2]" 1
823 1 49 VAL HA 1 50 LEU H . . 2.960 2.143 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
824 1 49 VAL HA 1 82 VAL H . . 5.140 4.865 4.555 5.125 . 0 0 "[ . 1 . 2]" 1
825 1 49 VAL HA 1 83 ILE HG13 . . 4.620 3.545 3.287 3.877 . 0 0 "[ . 1 . 2]" 1
826 1 49 VAL HA 1 83 ILE MG . . 4.810 3.509 3.233 3.910 . 0 0 "[ . 1 . 2]" 1
827 1 49 VAL HB 1 50 LEU H . . 4.630 4.296 4.241 4.374 . 0 0 "[ . 1 . 2]" 1
828 1 49 VAL HB 1 57 ALA H . . 3.860 3.680 3.084 3.858 . 0 0 "[ . 1 . 2]" 1
829 1 49 VAL HB 1 57 ALA MB . . 3.450 2.428 2.009 2.932 . 0 0 "[ . 1 . 2]" 1
830 1 49 VAL HB 1 59 ALA MB . . 3.930 3.679 3.381 3.916 . 0 0 "[ . 1 . 2]" 1
831 1 49 VAL MG1 1 50 LEU H . . 3.710 2.823 2.633 3.040 . 0 0 "[ . 1 . 2]" 1
832 1 49 VAL MG1 1 51 THR HA . . 4.790 3.929 3.691 4.076 . 0 0 "[ . 1 . 2]" 1
833 1 49 VAL MG1 1 57 ALA H . . 4.670 4.068 3.643 4.325 . 0 0 "[ . 1 . 2]" 1
834 1 49 VAL MG1 1 73 TYR QB . . 4.100 3.068 2.723 3.448 . 0 0 "[ . 1 . 2]" 1
835 1 49 VAL MG1 1 73 TYR QD . . 4.380 3.262 2.907 3.538 . 0 0 "[ . 1 . 2]" 1
836 1 49 VAL MG1 1 81 TYR HB2 . . 4.720 4.539 4.176 4.700 . 0 0 "[ . 1 . 2]" 1
837 1 49 VAL MG1 1 81 TYR HB3 . . 4.130 3.220 2.859 3.358 . 0 0 "[ . 1 . 2]" 1
838 1 49 VAL MG1 1 81 TYR QD . . 3.280 2.228 2.108 2.382 . 0 0 "[ . 1 . 2]" 1
839 1 49 VAL MG1 1 81 TYR QE . . 3.780 3.134 2.872 3.383 . 0 0 "[ . 1 . 2]" 1
840 1 49 VAL MG1 1 83 ILE HG12 . . 4.180 3.203 2.852 3.667 . 0 0 "[ . 1 . 2]" 1
841 1 49 VAL MG1 1 83 ILE HG13 . . 4.400 3.667 3.410 4.083 . 0 0 "[ . 1 . 2]" 1
842 1 49 VAL MG2 1 50 LEU H . . 4.240 4.132 4.081 4.181 . 0 0 "[ . 1 . 2]" 1
843 1 49 VAL MG2 1 57 ALA MB . . 4.090 3.666 3.163 4.093 0.003 19 0 "[ . 1 . 2]" 1
844 1 49 VAL MG2 1 59 ALA H . . 4.820 4.490 4.109 4.756 . 0 0 "[ . 1 . 2]" 1
845 1 49 VAL MG2 1 59 ALA MB . . 3.210 2.090 1.927 2.381 . 0 0 "[ . 1 . 2]" 1
846 1 49 VAL MG2 1 73 TYR QB . . 3.730 2.210 1.872 2.640 . 0 0 "[ . 1 . 2]" 1
847 1 50 LEU H 1 50 LEU HB2 . . 3.580 2.651 2.460 2.858 . 0 0 "[ . 1 . 2]" 1
848 1 50 LEU H 1 50 LEU QB . . 3.130 2.371 2.316 2.424 . 0 0 "[ . 1 . 2]" 1
849 1 50 LEU H 1 50 LEU HB3 . . 3.580 2.705 2.517 2.870 . 0 0 "[ . 1 . 2]" 1
850 1 50 LEU H 1 50 LEU QD . . 4.310 3.776 3.555 3.844 . 0 0 "[ . 1 . 2]" 1
851 1 50 LEU H 1 50 LEU HG . . 4.720 4.532 4.452 4.721 0.001 1 0 "[ . 1 . 2]" 1
852 1 50 LEU H 1 51 THR H . . 4.640 4.330 4.204 4.507 . 0 0 "[ . 1 . 2]" 1
853 1 50 LEU H 1 81 TYR HA . . 5.390 4.758 4.601 4.894 . 0 0 "[ . 1 . 2]" 1
854 1 50 LEU H 1 82 VAL H . . 3.640 3.123 2.918 3.272 . 0 0 "[ . 1 . 2]" 1
855 1 50 LEU H 1 82 VAL HA . . 5.500 4.764 4.646 4.907 . 0 0 "[ . 1 . 2]" 1
856 1 50 LEU H 1 82 VAL HB . . 4.760 3.981 3.666 4.253 . 0 0 "[ . 1 . 2]" 1
857 1 50 LEU H 1 82 VAL MG1 . . 4.460 4.351 4.106 4.461 0.001 12 0 "[ . 1 . 2]" 1
858 1 50 LEU H 1 84 TYR H . . 4.690 4.591 4.372 4.690 . 0 0 "[ . 1 . 2]" 1
859 1 50 LEU HA 1 50 LEU MD1 . . 4.040 2.910 1.974 3.793 . 0 0 "[ . 1 . 2]" 1
860 1 50 LEU HA 1 50 LEU QD . . 3.440 2.447 1.903 2.991 . 0 0 "[ . 1 . 2]" 1
861 1 50 LEU HA 1 50 LEU MD2 . . 4.040 3.252 1.950 3.905 . 0 0 "[ . 1 . 2]" 1
862 1 50 LEU HA 1 51 THR H . . 2.820 2.148 2.138 2.175 . 0 0 "[ . 1 . 2]" 1
863 1 50 LEU HA 1 51 THR MG . . 3.940 3.741 3.435 3.907 . 0 0 "[ . 1 . 2]" 1
864 1 50 LEU HA 1 55 THR H . . 5.240 5.183 5.027 5.239 . 0 0 "[ . 1 . 2]" 1
865 1 50 LEU HA 1 56 GLU HA . . 3.650 2.556 2.003 2.993 . 0 0 "[ . 1 . 2]" 1
866 1 50 LEU HA 1 57 ALA H . . 4.080 3.250 2.833 3.647 . 0 0 "[ . 1 . 2]" 1
867 1 50 LEU QB 1 50 LEU QD . . 2.850 1.888 1.807 2.009 . 0 0 "[ . 1 . 2]" 1
868 1 50 LEU QB 1 51 THR H . . 3.990 3.807 3.576 3.898 . 0 0 "[ . 1 . 2]" 1
869 1 50 LEU QB 1 82 VAL H . . 3.410 2.520 2.279 2.795 . 0 0 "[ . 1 . 2]" 1
870 1 50 LEU QB 1 82 VAL HB . . 3.110 2.015 1.978 2.117 . 0 0 "[ . 1 . 2]" 1
871 1 50 LEU QB 1 82 VAL MG2 . . 4.430 3.409 3.276 3.655 . 0 0 "[ . 1 . 2]" 1
872 1 50 LEU QB 1 84 TYR QD . . 5.340 3.728 3.426 4.005 . 0 0 "[ . 1 . 2]" 1
873 1 50 LEU QB 1 84 TYR QE . . 3.680 3.024 2.615 3.394 . 0 0 "[ . 1 . 2]" 1
874 1 50 LEU HB2 1 50 LEU MD1 . . 3.650 2.336 2.105 3.189 . 0 0 "[ . 1 . 2]" 1
875 1 50 LEU HB2 1 50 LEU MD2 . . 3.650 2.764 2.268 3.188 . 0 0 "[ . 1 . 2]" 1
876 1 50 LEU HB2 1 51 THR H . . 4.540 4.431 4.253 4.546 0.006 13 0 "[ . 1 . 2]" 1
877 1 50 LEU HB2 1 82 VAL H . . 4.070 4.032 3.737 4.073 0.003 18 0 "[ . 1 . 2]" 1
878 1 50 LEU HB2 1 82 VAL MG1 . . 4.660 3.635 3.212 3.950 . 0 0 "[ . 1 . 2]" 1
879 1 50 LEU HB2 1 82 VAL MG2 . . 5.090 4.686 4.478 4.963 . 0 0 "[ . 1 . 2]" 1
880 1 50 LEU HB2 1 84 TYR QE . . 4.530 3.105 2.657 3.536 . 0 0 "[ . 1 . 2]" 1
881 1 50 LEU HB3 1 50 LEU MD1 . . 3.650 2.758 2.257 3.196 . 0 0 "[ . 1 . 2]" 1
882 1 50 LEU HB3 1 50 LEU MD2 . . 3.650 2.291 2.027 3.179 . 0 0 "[ . 1 . 2]" 1
883 1 50 LEU HB3 1 51 THR H . . 4.540 4.154 3.809 4.308 . 0 0 "[ . 1 . 2]" 1
884 1 50 LEU HB3 1 82 VAL H . . 4.070 2.548 2.293 2.848 . 0 0 "[ . 1 . 2]" 1
885 1 50 LEU HB3 1 82 VAL MG1 . . 4.660 3.393 3.104 3.630 . 0 0 "[ . 1 . 2]" 1
886 1 50 LEU HB3 1 82 VAL MG2 . . 5.090 3.502 3.350 3.762 . 0 0 "[ . 1 . 2]" 1
887 1 50 LEU HB3 1 84 TYR QE . . 4.530 4.193 3.812 4.522 . 0 0 "[ . 1 . 2]" 1
888 1 50 LEU QD 1 51 THR H . . 3.780 2.862 1.848 3.295 . 0 0 "[ . 1 . 2]" 1
889 1 50 LEU QD 1 54 GLY H . . 4.180 3.711 3.210 4.181 0.001 8 0 "[ . 1 . 2]" 1
890 1 50 LEU QD 1 54 GLY QA . . 3.830 3.362 2.974 3.737 . 0 0 "[ . 1 . 2]" 1
891 1 50 LEU QD 1 55 THR H . . 4.420 3.416 2.930 4.056 . 0 0 "[ . 1 . 2]" 1
892 1 50 LEU QD 1 56 GLU HA . . 4.160 3.119 2.029 4.149 . 0 0 "[ . 1 . 2]" 1
893 1 50 LEU QD 1 56 GLU QG . . 3.850 3.208 1.879 3.854 0.004 19 0 "[ . 1 . 2]" 1
894 1 50 LEU QD 1 82 VAL HB . . 3.850 2.503 1.904 3.511 . 0 0 "[ . 1 . 2]" 1
895 1 50 LEU QD 1 84 TYR QD . . 4.450 3.743 3.264 4.049 . 0 0 "[ . 1 . 2]" 1
896 1 50 LEU QD 1 84 TYR QE . . 3.830 2.218 1.781 2.886 . 0 0 "[ . 1 . 2]" 1
897 1 50 LEU HG 1 51 THR H . . 4.580 3.572 2.887 4.570 . 0 0 "[ . 1 . 2]" 1
898 1 50 LEU HG 1 84 TYR QE . . 5.100 4.386 2.879 5.095 . 0 0 "[ . 1 . 2]" 1
899 1 51 THR H 1 51 THR MG . . 3.200 2.272 2.037 2.468 . 0 0 "[ . 1 . 2]" 1
900 1 51 THR H 1 55 THR H . . 4.120 3.751 3.472 3.987 . 0 0 "[ . 1 . 2]" 1
901 1 51 THR H 1 56 GLU HA . . 3.850 3.217 2.493 3.693 . 0 0 "[ . 1 . 2]" 1
902 1 51 THR H 1 57 ALA H . . 4.770 3.841 3.455 4.421 . 0 0 "[ . 1 . 2]" 1
903 1 51 THR HA 1 51 THR MG . . 3.480 2.353 2.281 2.463 . 0 0 "[ . 1 . 2]" 1
904 1 51 THR HA 1 52 PRO HD2 . . 3.580 2.336 2.308 2.373 . 0 0 "[ . 1 . 2]" 1
905 1 51 THR HA 1 52 PRO QD . . 3.040 2.054 2.040 2.075 . 0 0 "[ . 1 . 2]" 1
906 1 51 THR HA 1 52 PRO HD3 . . 3.580 2.279 2.272 2.290 . 0 0 "[ . 1 . 2]" 1
907 1 51 THR HA 1 52 PRO HG2 . . 4.610 4.461 4.439 4.491 . 0 0 "[ . 1 . 2]" 1
908 1 51 THR HA 1 52 PRO HG3 . . 4.640 4.435 4.421 4.457 . 0 0 "[ . 1 . 2]" 1
909 1 51 THR HA 1 81 TYR HA . . 4.050 3.442 3.106 3.655 . 0 0 "[ . 1 . 2]" 1
910 1 51 THR HA 1 81 TYR QD . . 4.100 3.375 2.928 3.927 . 0 0 "[ . 1 . 2]" 1
911 1 51 THR HA 1 81 TYR QE . . 4.370 3.459 2.832 4.020 . 0 0 "[ . 1 . 2]" 1
912 1 51 THR HA 1 82 VAL H . . 4.710 4.355 4.087 4.490 . 0 0 "[ . 1 . 2]" 1
913 1 51 THR HB 1 52 PRO HD2 . . 3.720 2.077 2.011 2.145 . 0 0 "[ . 1 . 2]" 1
914 1 51 THR HB 1 52 PRO QD . . 3.180 2.062 1.999 2.129 . 0 0 "[ . 1 . 2]" 1
915 1 51 THR HB 1 52 PRO HD3 . . 3.720 3.516 3.458 3.579 . 0 0 "[ . 1 . 2]" 1
916 1 51 THR HB 1 52 PRO HG2 . . 4.600 3.860 3.781 3.935 . 0 0 "[ . 1 . 2]" 1
917 1 51 THR HB 1 52 PRO HG3 . . 4.800 4.733 4.666 4.787 . 0 0 "[ . 1 . 2]" 1
918 1 51 THR HB 1 53 ASP H . . 4.190 2.566 2.422 2.764 . 0 0 "[ . 1 . 2]" 1
919 1 51 THR HB 1 81 TYR QE . . 4.660 4.119 3.687 4.652 . 0 0 "[ . 1 . 2]" 1
920 1 51 THR HG1 1 55 THR H . . 3.360 2.392 1.907 3.021 . 0 0 "[ . 1 . 2]" 1
921 1 51 THR MG 1 52 PRO HD2 . . 4.130 3.195 2.975 3.391 . 0 0 "[ . 1 . 2]" 1
922 1 51 THR MG 1 52 PRO QD . . 3.550 3.062 2.868 3.240 . 0 0 "[ . 1 . 2]" 1
923 1 51 THR MG 1 52 PRO HD3 . . 4.130 3.929 3.759 4.110 . 0 0 "[ . 1 . 2]" 1
924 1 51 THR MG 1 53 ASP H . . 4.500 4.098 4.058 4.126 . 0 0 "[ . 1 . 2]" 1
925 1 51 THR MG 1 55 THR H . . 4.600 4.266 3.967 4.571 . 0 0 "[ . 1 . 2]" 1
926 1 51 THR MG 1 57 ALA H . . 4.090 3.712 3.072 4.089 . 0 0 "[ . 1 . 2]" 1
927 1 51 THR MG 1 81 TYR QD . . 4.780 3.517 2.958 4.135 . 0 0 "[ . 1 . 2]" 1
928 1 51 THR MG 1 81 TYR QE . . 3.500 2.437 2.028 3.281 . 0 0 "[ . 1 . 2]" 1
929 1 52 PRO HA 1 53 ASP HA . . 4.800 4.691 4.649 4.738 . 0 0 "[ . 1 . 2]" 1
930 1 52 PRO HA 1 54 GLY H . . 4.040 3.903 3.392 4.040 . 0 0 "[ . 1 . 2]" 1
931 1 52 PRO HA 1 80 THR H . . 4.370 4.199 3.866 4.360 . 0 0 "[ . 1 . 2]" 1
932 1 52 PRO QB 1 53 ASP H . . 3.890 3.682 3.578 3.726 . 0 0 "[ . 1 . 2]" 1
933 1 52 PRO QB 1 79 GLY QA . . 4.020 2.864 2.447 3.217 . 0 0 "[ . 1 . 2]" 1
934 1 52 PRO QB 1 80 THR H . . 3.700 1.971 1.861 2.098 . 0 0 "[ . 1 . 2]" 1
935 1 52 PRO HB2 1 53 ASP H . . 4.570 3.916 3.786 3.973 . 0 0 "[ . 1 . 2]" 1
936 1 52 PRO HB2 1 80 THR H . . 4.470 2.961 2.653 3.174 . 0 0 "[ . 1 . 2]" 1
937 1 52 PRO HB3 1 53 ASP H . . 4.570 4.476 4.403 4.508 . 0 0 "[ . 1 . 2]" 1
938 1 52 PRO HB3 1 80 THR H . . 4.470 2.002 1.901 2.141 . 0 0 "[ . 1 . 2]" 1
939 1 52 PRO QD 1 53 ASP H . . 4.070 2.893 2.770 2.956 . 0 0 "[ . 1 . 2]" 1
940 1 52 PRO QD 1 81 TYR HA . . 4.100 2.829 2.648 2.992 . 0 0 "[ . 1 . 2]" 1
941 1 52 PRO QD 1 81 TYR QD . . 4.850 2.861 2.631 3.192 . 0 0 "[ . 1 . 2]" 1
942 1 52 PRO QD 1 81 TYR QE . . 3.970 2.834 2.621 3.225 . 0 0 "[ . 1 . 2]" 1
943 1 52 PRO HD2 1 53 ASP H . . 4.680 2.967 2.831 3.038 . 0 0 "[ . 1 . 2]" 1
944 1 52 PRO HD2 1 81 TYR HA . . 4.740 4.499 4.259 4.659 . 0 0 "[ . 1 . 2]" 1
945 1 52 PRO HD2 1 81 TYR QE . . 4.550 3.287 2.926 3.786 . 0 0 "[ . 1 . 2]" 1
946 1 52 PRO HD3 1 53 ASP H . . 4.680 4.011 3.939 4.048 . 0 0 "[ . 1 . 2]" 1
947 1 52 PRO HD3 1 81 TYR HA . . 4.740 2.859 2.674 3.029 . 0 0 "[ . 1 . 2]" 1
948 1 52 PRO HD3 1 81 TYR QE . . 4.550 3.102 2.809 3.495 . 0 0 "[ . 1 . 2]" 1
949 1 52 PRO HG2 1 53 ASP H . . 4.860 3.256 3.026 3.362 . 0 0 "[ . 1 . 2]" 1
950 1 52 PRO HG2 1 79 GLY QA . . 4.180 3.235 2.956 3.408 . 0 0 "[ . 1 . 2]" 1
951 1 52 PRO HG2 1 80 THR H . . 4.290 4.027 3.519 4.291 0.001 7 0 "[ . 1 . 2]" 1
952 1 52 PRO HG2 1 81 TYR QE . . 4.390 3.799 3.491 4.344 . 0 0 "[ . 1 . 2]" 1
953 1 52 PRO HG3 1 53 ASP H . . 4.730 4.548 4.371 4.629 . 0 0 "[ . 1 . 2]" 1
954 1 52 PRO HG3 1 79 GLY H . . 4.830 4.359 4.011 4.554 . 0 0 "[ . 1 . 2]" 1
955 1 52 PRO HG3 1 79 GLY HA2 . . 4.790 3.882 3.669 4.030 . 0 0 "[ . 1 . 2]" 1
956 1 52 PRO HG3 1 79 GLY QA . . 4.000 2.165 1.997 2.313 . 0 0 "[ . 1 . 2]" 1
957 1 52 PRO HG3 1 79 GLY HA3 . . 4.790 2.177 2.006 2.327 . 0 0 "[ . 1 . 2]" 1
958 1 52 PRO HG3 1 80 THR H . . 3.760 2.755 2.023 3.348 . 0 0 "[ . 1 . 2]" 1
959 1 52 PRO HG3 1 81 TYR QE . . 4.160 2.729 2.435 3.240 . 0 0 "[ . 1 . 2]" 1
960 1 53 ASP H 1 53 ASP HB2 . . 3.900 2.301 2.197 2.465 . 0 0 "[ . 1 . 2]" 1
961 1 53 ASP H 1 53 ASP HB3 . . 3.900 3.239 2.784 3.606 . 0 0 "[ . 1 . 2]" 1
962 1 53 ASP H 1 54 GLY H . . 3.170 2.345 2.242 2.468 . 0 0 "[ . 1 . 2]" 1
963 1 53 ASP H 1 54 GLY QA . . 4.820 4.326 4.251 4.403 . 0 0 "[ . 1 . 2]" 1
964 1 53 ASP QB 1 54 GLY H . . 4.180 2.958 2.778 3.489 . 0 0 "[ . 1 . 2]" 1
965 1 53 ASP QB 1 55 THR H . . 4.020 3.316 3.121 3.590 . 0 0 "[ . 1 . 2]" 1
966 1 53 ASP HB2 1 54 GLY H . . 4.790 3.426 2.974 3.858 . 0 0 "[ . 1 . 2]" 1
967 1 53 ASP HB2 1 55 THR H . . 4.670 3.979 3.416 4.657 . 0 0 "[ . 1 . 2]" 1
968 1 53 ASP HB3 1 54 GLY H . . 4.790 3.435 2.865 4.128 . 0 0 "[ . 1 . 2]" 1
969 1 53 ASP HB3 1 55 THR H . . 4.670 3.839 3.181 4.434 . 0 0 "[ . 1 . 2]" 1
970 1 54 GLY H 1 55 THR H . . 3.200 2.004 1.839 2.494 . 0 0 "[ . 1 . 2]" 1
971 1 55 THR H 1 55 THR HB . . 4.080 3.782 3.575 3.865 . 0 0 "[ . 1 . 2]" 1
972 1 55 THR H 1 55 THR MG . . 3.440 2.898 2.057 3.398 . 0 0 "[ . 1 . 2]" 1
973 1 55 THR H 1 56 GLU H . . 4.450 4.423 4.301 4.457 0.007 14 0 "[ . 1 . 2]" 1
974 1 55 THR HA 1 55 THR MG . . 3.040 2.400 2.075 3.111 0.071 3 0 "[ . 1 . 2]" 1
975 1 55 THR HA 1 56 GLU HA . . 4.940 4.369 4.342 4.413 . 0 0 "[ . 1 . 2]" 1
976 1 55 THR HB 1 56 GLU H . . 3.290 2.819 2.348 3.290 . 3 0 "[ . 1 . 2]" 1
977 1 55 THR MG 1 56 GLU H . . 3.860 3.741 3.412 3.860 . 0 0 "[ . 1 . 2]" 1
978 1 56 GLU H 1 56 GLU HB2 . . 3.780 2.866 2.295 3.781 0.001 7 0 "[ . 1 . 2]" 1
979 1 56 GLU H 1 56 GLU HB3 . . 3.780 3.340 2.540 3.690 . 0 0 "[ . 1 . 2]" 1
980 1 56 GLU H 1 56 GLU HG2 . . 4.140 3.672 2.147 4.143 0.003 3 0 "[ . 1 . 2]" 1
981 1 56 GLU H 1 56 GLU QG . . 3.450 2.815 2.106 3.305 . 0 0 "[ . 1 . 2]" 1
982 1 56 GLU H 1 56 GLU HG3 . . 4.140 3.229 2.125 4.007 . 0 0 "[ . 1 . 2]" 1
983 1 56 GLU H 1 57 ALA H . . 4.630 4.476 4.307 4.598 . 0 0 "[ . 1 . 2]" 1
984 1 56 GLU HA 1 56 GLU HG2 . . 4.140 3.266 2.718 4.224 0.084 15 0 "[ . 1 . 2]" 1
985 1 56 GLU HA 1 56 GLU QG . . 3.560 2.732 2.291 3.432 . 0 0 "[ . 1 . 2]" 1
986 1 56 GLU HA 1 56 GLU HG3 . . 4.140 3.059 2.320 4.191 0.051 14 0 "[ . 1 . 2]" 1
987 1 56 GLU HA 1 57 ALA H . . 2.840 2.217 2.139 2.391 . 0 0 "[ . 1 . 2]" 1
988 1 56 GLU HA 1 57 ALA HA . . 5.310 4.402 4.383 4.440 . 0 0 "[ . 1 . 2]" 1
989 1 56 GLU HA 1 57 ALA MB . . 4.070 3.917 3.796 4.013 . 0 0 "[ . 1 . 2]" 1
990 1 56 GLU QB 1 57 ALA H . . 3.750 3.016 2.470 3.481 . 0 0 "[ . 1 . 2]" 1
991 1 56 GLU HB2 1 57 ALA H . . 4.540 3.741 2.499 4.432 . 0 0 "[ . 1 . 2]" 1
992 1 56 GLU HB3 1 57 ALA H . . 4.540 3.523 2.691 4.336 . 0 0 "[ . 1 . 2]" 1
993 1 56 GLU HG2 1 57 ALA H . . 4.730 4.389 3.575 4.736 0.006 15 0 "[ . 1 . 2]" 1
994 1 56 GLU HG3 1 57 ALA H . . 4.730 4.477 4.074 4.733 0.003 3 0 "[ . 1 . 2]" 1
995 1 57 ALA H 1 57 ALA MB . . 3.050 2.370 2.111 2.574 . 0 0 "[ . 1 . 2]" 1
996 1 57 ALA H 1 58 GLU H . . 4.750 4.502 4.403 4.582 . 0 0 "[ . 1 . 2]" 1
997 1 57 ALA HA 1 58 GLU H . . 2.810 2.420 2.223 2.642 . 0 0 "[ . 1 . 2]" 1
998 1 57 ALA HA 1 58 GLU QB . . 4.920 4.426 4.271 4.620 . 0 0 "[ . 1 . 2]" 1
999 1 57 ALA MB 1 58 GLU H . . 3.220 2.444 2.022 2.917 . 0 0 "[ . 1 . 2]" 1
1000 1 58 GLU H 1 58 GLU HB2 . . 3.670 3.109 2.249 3.675 0.005 4 0 "[ . 1 . 2]" 1
1001 1 58 GLU H 1 58 GLU QB . . 3.150 2.587 2.225 2.866 . 0 0 "[ . 1 . 2]" 1
1002 1 58 GLU H 1 58 GLU HB3 . . 3.670 3.186 2.731 3.672 0.002 13 0 "[ . 1 . 2]" 1
1003 1 58 GLU H 1 58 GLU HG2 . . 4.160 2.777 1.948 4.088 . 0 0 "[ . 1 . 2]" 1
1004 1 58 GLU H 1 58 GLU QG . . 3.470 2.411 1.936 3.447 . 0 0 "[ . 1 . 2]" 1
1005 1 58 GLU H 1 58 GLU HG3 . . 4.160 3.170 1.971 3.932 . 0 0 "[ . 1 . 2]" 1
1006 1 58 GLU H 1 59 ALA H . . 4.590 4.539 4.461 4.598 0.008 14 0 "[ . 1 . 2]" 1
1007 1 58 GLU HA 1 59 ALA H . . 2.650 2.232 2.159 2.485 . 0 0 "[ . 1 . 2]" 1
1008 1 58 GLU HA 1 59 ALA MB . . 4.090 3.866 3.791 3.960 . 0 0 "[ . 1 . 2]" 1
1009 1 58 GLU QB 1 59 ALA H . . 3.540 2.876 2.231 3.125 . 0 0 "[ . 1 . 2]" 1
1010 1 58 GLU HB2 1 59 ALA H . . 4.180 3.428 2.476 4.179 . 0 0 "[ . 1 . 2]" 1
1011 1 58 GLU HB3 1 59 ALA H . . 4.180 3.536 2.261 4.160 . 0 0 "[ . 1 . 2]" 1
1012 1 58 GLU QG 1 59 ALA H . . 4.410 4.054 3.599 4.384 . 0 0 "[ . 1 . 2]" 1
1013 1 59 ALA H 1 59 ALA MB . . 3.090 2.463 2.351 2.645 . 0 0 "[ . 1 . 2]" 1
1014 1 59 ALA H 1 60 ASP H . . 4.490 4.352 4.084 4.502 0.012 8 0 "[ . 1 . 2]" 1
1015 1 59 ALA HA 1 60 ASP H . . 3.110 2.211 2.141 2.440 . 0 0 "[ . 1 . 2]" 1
1016 1 59 ALA MB 1 60 ASP H . . 3.400 2.975 2.290 3.371 . 0 0 "[ . 1 . 2]" 1
1017 1 59 ALA MB 1 71 ILE MG . . 3.090 2.295 1.933 2.444 . 0 0 "[ . 1 . 2]" 1
1018 1 59 ALA MB 1 72 PHE H . . 4.490 3.990 3.386 4.478 . 0 0 "[ . 1 . 2]" 1
1019 1 59 ALA MB 1 73 TYR QB . . 3.450 3.053 2.784 3.257 . 0 0 "[ . 1 . 2]" 1
1020 1 59 ALA MB 1 73 TYR QD . . 4.420 4.221 3.926 4.417 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ASP H 1 60 ASP HB2 . . 3.690 2.547 2.279 2.760 . 0 0 "[ . 1 . 2]" 1
1022 1 60 ASP H 1 60 ASP QB . . 3.130 2.485 2.197 2.679 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ASP H 1 60 ASP HB3 . . 3.690 3.526 2.854 3.678 . 0 0 "[ . 1 . 2]" 1
1024 1 60 ASP H 1 61 VAL H . . 4.660 4.499 4.337 4.602 . 0 0 "[ . 1 . 2]" 1
1025 1 60 ASP H 1 72 PHE H . . 3.910 3.499 3.145 3.795 . 0 0 "[ . 1 . 2]" 1
1026 1 60 ASP H 1 73 TYR QB . . 4.710 4.578 4.376 4.688 . 0 0 "[ . 1 . 2]" 1
1027 1 60 ASP HA 1 61 VAL H . . 2.880 2.166 2.139 2.215 . 0 0 "[ . 1 . 2]" 1
1028 1 60 ASP HA 1 61 VAL HB . . 4.690 4.625 4.567 4.691 0.001 18 0 "[ . 1 . 2]" 1
1029 1 60 ASP QB 1 61 VAL H . . 3.480 3.248 2.947 3.485 0.005 13 0 "[ . 1 . 2]" 1
1030 1 60 ASP QB 1 62 ILE MD . . 3.540 2.703 2.266 2.939 . 0 0 "[ . 1 . 2]" 1
1031 1 60 ASP QB 1 72 PHE H . . 3.760 3.209 2.973 3.517 . 0 0 "[ . 1 . 2]" 1
1032 1 60 ASP HB2 1 61 VAL H . . 4.290 4.180 3.937 4.296 0.006 17 0 "[ . 1 . 2]" 1
1033 1 60 ASP HB2 1 62 ILE MD . . 4.180 3.380 2.848 4.029 . 0 0 "[ . 1 . 2]" 1
1034 1 60 ASP HB2 1 72 PHE QD . . 4.610 3.213 2.531 4.426 . 0 0 "[ . 1 . 2]" 1
1035 1 60 ASP HB3 1 61 VAL H . . 4.290 3.396 3.018 3.696 . 0 0 "[ . 1 . 2]" 1
1036 1 60 ASP HB3 1 62 ILE MD . . 4.180 2.893 2.305 3.299 . 0 0 "[ . 1 . 2]" 1
1037 1 60 ASP HB3 1 72 PHE QD . . 4.610 4.054 2.601 4.611 0.001 17 0 "[ . 1 . 2]" 1
1038 1 61 VAL H 1 61 VAL HB . . 3.100 2.668 2.469 2.790 . 0 0 "[ . 1 . 2]" 1
1039 1 61 VAL H 1 61 VAL MG1 . . 4.050 3.862 3.775 3.914 . 0 0 "[ . 1 . 2]" 1
1040 1 61 VAL H 1 61 VAL MG2 . . 3.190 2.785 2.541 2.964 . 0 0 "[ . 1 . 2]" 1
1041 1 61 VAL H 1 62 ILE H . . 4.860 4.345 4.038 4.566 . 0 0 "[ . 1 . 2]" 1
1042 1 61 VAL HA 1 61 VAL MG1 . . 3.330 2.353 2.206 2.465 . 0 0 "[ . 1 . 2]" 1
1043 1 61 VAL HA 1 61 VAL MG2 . . 3.270 2.344 2.238 2.497 . 0 0 "[ . 1 . 2]" 1
1044 1 61 VAL HA 1 62 ILE H . . 3.130 2.181 2.140 2.261 . 0 0 "[ . 1 . 2]" 1
1045 1 61 VAL HA 1 62 ILE HB . . 4.990 4.593 4.459 4.673 . 0 0 "[ . 1 . 2]" 1
1046 1 61 VAL HA 1 71 ILE HA . . 4.320 2.929 2.755 3.092 . 0 0 "[ . 1 . 2]" 1
1047 1 61 VAL HA 1 71 ILE HG12 . . 4.320 2.649 2.068 3.296 . 0 0 "[ . 1 . 2]" 1
1048 1 61 VAL HA 1 71 ILE HG13 . . 4.700 3.242 2.895 3.578 . 0 0 "[ . 1 . 2]" 1
1049 1 61 VAL HA 1 71 ILE MG . . 4.260 3.637 2.974 4.102 . 0 0 "[ . 1 . 2]" 1
1050 1 61 VAL HA 1 72 PHE H . . 4.700 4.564 4.290 4.699 . 0 0 "[ . 1 . 2]" 1
1051 1 61 VAL MG1 1 62 ILE H . . 3.410 2.482 1.905 3.210 . 0 0 "[ . 1 . 2]" 1
1052 1 61 VAL MG1 1 63 GLU HA . . 4.900 4.058 3.770 4.398 . 0 0 "[ . 1 . 2]" 1
1053 1 61 VAL MG1 1 69 TYR HB2 . . 4.130 3.862 3.497 4.127 . 0 0 "[ . 1 . 2]" 1
1054 1 61 VAL MG1 1 69 TYR HB3 . . 3.810 2.485 2.115 2.774 . 0 0 "[ . 1 . 2]" 1
1055 1 61 VAL MG1 1 69 TYR QD . . 3.210 2.080 1.845 2.895 . 0 0 "[ . 1 . 2]" 1
1056 1 61 VAL MG1 1 70 ASP H . . 4.560 3.922 3.416 4.412 . 0 0 "[ . 1 . 2]" 1
1057 1 61 VAL MG1 1 71 ILE HA . . 5.500 4.360 4.112 4.510 . 0 0 "[ . 1 . 2]" 1
1058 1 61 VAL MG1 1 71 ILE HG12 . . 3.830 2.844 2.542 3.281 . 0 0 "[ . 1 . 2]" 1
1059 1 61 VAL MG1 1 71 ILE HG13 . . 4.010 3.074 2.806 3.416 . 0 0 "[ . 1 . 2]" 1
1060 1 61 VAL MG2 1 62 ILE H . . 4.290 4.023 3.790 4.200 . 0 0 "[ . 1 . 2]" 1
1061 1 61 VAL MG2 1 71 ILE HA . . 4.110 3.751 3.439 4.048 . 0 0 "[ . 1 . 2]" 1
1062 1 61 VAL MG2 1 71 ILE HG12 . . 3.630 2.067 1.916 2.324 . 0 0 "[ . 1 . 2]" 1
1063 1 61 VAL MG2 1 71 ILE HG13 . . 4.410 3.421 3.174 3.593 . 0 0 "[ . 1 . 2]" 1
1064 1 61 VAL MG2 1 71 ILE MG . . 3.280 2.726 2.398 3.160 . 0 0 "[ . 1 . 2]" 1
1065 1 61 VAL MG2 1 72 PHE H . . 4.880 4.708 4.341 4.869 . 0 0 "[ . 1 . 2]" 1
1066 1 62 ILE H 1 62 ILE HB . . 3.490 2.693 2.453 2.815 . 0 0 "[ . 1 . 2]" 1
1067 1 62 ILE H 1 62 ILE MD . . 3.820 2.447 2.096 2.767 . 0 0 "[ . 1 . 2]" 1
1068 1 62 ILE H 1 62 ILE HG12 . . 4.600 4.400 4.079 4.596 . 0 0 "[ . 1 . 2]" 1
1069 1 62 ILE H 1 62 ILE HG13 . . 4.180 3.585 3.305 3.776 . 0 0 "[ . 1 . 2]" 1
1070 1 62 ILE H 1 62 ILE MG . . 4.300 3.866 3.758 3.923 . 0 0 "[ . 1 . 2]" 1
1071 1 62 ILE H 1 63 GLU H . . 4.650 4.179 3.978 4.408 . 0 0 "[ . 1 . 2]" 1
1072 1 62 ILE H 1 69 TYR HB3 . . 4.800 3.975 3.618 4.667 . 0 0 "[ . 1 . 2]" 1
1073 1 62 ILE H 1 70 ASP H . . 4.190 2.944 2.579 3.477 . 0 0 "[ . 1 . 2]" 1
1074 1 62 ILE H 1 70 ASP QB . . 4.960 3.560 3.147 4.670 . 0 0 "[ . 1 . 2]" 1
1075 1 62 ILE H 1 71 ILE HA . . 4.240 3.907 3.515 4.240 0.000 8 0 "[ . 1 . 2]" 1
1076 1 62 ILE HA 1 62 ILE MD . . 3.540 3.340 3.242 3.436 . 0 0 "[ . 1 . 2]" 1
1077 1 62 ILE HA 1 62 ILE HG12 . . 3.860 3.532 3.474 3.571 . 0 0 "[ . 1 . 2]" 1
1078 1 62 ILE HA 1 62 ILE HG13 . . 3.830 2.351 2.244 2.404 . 0 0 "[ . 1 . 2]" 1
1079 1 62 ILE HA 1 62 ILE MG . . 3.320 2.372 2.264 2.447 . 0 0 "[ . 1 . 2]" 1
1080 1 62 ILE HA 1 63 GLU H . . 2.820 2.152 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
1081 1 62 ILE HA 1 63 GLU HA . . 4.930 4.403 4.366 4.431 . 0 0 "[ . 1 . 2]" 1
1082 1 62 ILE HA 1 63 GLU QB . . 4.630 4.435 4.325 4.628 . 0 0 "[ . 1 . 2]" 1
1083 1 62 ILE HA 1 63 GLU QG . . 4.260 3.862 3.476 4.105 . 0 0 "[ . 1 . 2]" 1
1084 1 62 ILE HB 1 62 ILE MD . . 3.510 2.155 2.087 2.275 . 0 0 "[ . 1 . 2]" 1
1085 1 62 ILE HB 1 63 GLU H . . 4.450 4.305 4.045 4.453 0.003 13 0 "[ . 1 . 2]" 1
1086 1 62 ILE HB 1 64 ASN HD22 . . 4.980 4.000 3.759 4.392 . 0 0 "[ . 1 . 2]" 1
1087 1 62 ILE HB 1 70 ASP H . . 4.130 3.051 2.746 3.289 . 0 0 "[ . 1 . 2]" 1
1088 1 62 ILE HB 1 70 ASP HB2 . . 4.160 2.452 2.097 3.620 . 0 0 "[ . 1 . 2]" 1
1089 1 62 ILE HB 1 70 ASP QB . . 3.420 2.379 2.081 3.261 . 0 0 "[ . 1 . 2]" 1
1090 1 62 ILE HB 1 70 ASP HB3 . . 4.160 3.834 2.789 4.204 0.044 17 0 "[ . 1 . 2]" 1
1091 1 62 ILE HB 1 72 PHE QE . . 4.820 3.655 3.431 3.911 . 0 0 "[ . 1 . 2]" 1
1092 1 62 ILE MD 1 70 ASP HB2 . . 4.620 2.859 2.165 4.032 . 0 0 "[ . 1 . 2]" 1
1093 1 62 ILE MD 1 70 ASP QB . . 3.890 2.674 2.142 3.176 . 0 0 "[ . 1 . 2]" 1
1094 1 62 ILE MD 1 70 ASP HB3 . . 4.620 3.554 2.552 4.593 . 0 0 "[ . 1 . 2]" 1
1095 1 62 ILE MD 1 71 ILE H . . 5.380 4.678 4.229 5.042 . 0 0 "[ . 1 . 2]" 1
1096 1 62 ILE MD 1 72 PHE QD . . 3.710 2.858 2.255 3.171 . 0 0 "[ . 1 . 2]" 1
1097 1 62 ILE MD 1 72 PHE QE . . 3.580 2.027 1.952 2.192 . 0 0 "[ . 1 . 2]" 1
1098 1 62 ILE HG12 1 62 ILE MG . . 3.290 2.104 1.995 2.246 . 0 0 "[ . 1 . 2]" 1
1099 1 62 ILE HG12 1 63 GLU H . . 5.450 5.345 5.021 5.450 . 0 0 "[ . 1 . 2]" 1
1100 1 62 ILE HG12 1 72 PHE QE . . 4.830 4.103 3.462 4.416 . 0 0 "[ . 1 . 2]" 1
1101 1 62 ILE HG13 1 62 ILE MG . . 3.320 2.655 2.573 2.721 . 0 0 "[ . 1 . 2]" 1
1102 1 62 ILE HG13 1 63 GLU H . . 4.600 4.434 4.244 4.496 . 0 0 "[ . 1 . 2]" 1
1103 1 62 ILE HG13 1 72 PHE QE . . 4.980 4.854 4.605 4.972 . 0 0 "[ . 1 . 2]" 1
1104 1 62 ILE MG 1 63 GLU H . . 3.370 2.783 2.186 3.002 . 0 0 "[ . 1 . 2]" 1
1105 1 62 ILE MG 1 63 GLU HA . . 5.220 4.058 3.821 4.224 . 0 0 "[ . 1 . 2]" 1
1106 1 62 ILE MG 1 64 ASN HA . . 4.780 4.242 4.043 4.391 . 0 0 "[ . 1 . 2]" 1
1107 1 62 ILE MG 1 70 ASP H . . 4.930 3.888 3.343 4.185 . 0 0 "[ . 1 . 2]" 1
1108 1 63 GLU H 1 63 GLU HB2 . . 3.660 3.490 2.734 3.659 . 0 0 "[ . 1 . 2]" 1
1109 1 63 GLU H 1 63 GLU QB . . 2.960 2.594 2.423 2.751 . 0 0 "[ . 1 . 2]" 1
1110 1 63 GLU H 1 63 GLU HB3 . . 3.660 2.787 2.463 3.620 . 0 0 "[ . 1 . 2]" 1
1111 1 63 GLU H 1 63 GLU QG . . 3.070 2.113 1.888 2.567 . 0 0 "[ . 1 . 2]" 1
1112 1 63 GLU H 1 64 ASN H . . 4.600 4.602 4.574 4.625 0.025 3 0 "[ . 1 . 2]" 1
1113 1 63 GLU HA 1 63 GLU HG2 . . 3.980 3.683 2.706 3.932 . 0 0 "[ . 1 . 2]" 1
1114 1 63 GLU HA 1 63 GLU QG . . 3.470 3.230 2.587 3.340 . 0 0 "[ . 1 . 2]" 1
1115 1 63 GLU HA 1 63 GLU HG3 . . 3.980 3.632 2.644 3.876 . 0 0 "[ . 1 . 2]" 1
1116 1 63 GLU HA 1 64 ASN H . . 2.990 2.271 2.186 2.350 . 0 0 "[ . 1 . 2]" 1
1117 1 63 GLU HA 1 64 ASN HA . . 4.980 4.414 4.379 4.442 . 0 0 "[ . 1 . 2]" 1
1118 1 63 GLU HA 1 64 ASN HB2 . . 4.440 4.201 4.179 4.233 . 0 0 "[ . 1 . 2]" 1
1119 1 63 GLU HA 1 64 ASN HB3 . . 5.500 5.580 5.570 5.597 0.097 1 0 "[ . 1 . 2]" 1
1120 1 63 GLU HA 1 64 ASN HD21 . . 4.600 3.479 3.250 3.791 . 0 0 "[ . 1 . 2]" 1
1121 1 63 GLU HA 1 69 TYR HA . . 3.870 2.602 2.335 2.836 . 0 0 "[ . 1 . 2]" 1
1122 1 63 GLU HA 1 69 TYR HB2 . . 4.980 4.872 4.713 4.981 0.001 7 0 "[ . 1 . 2]" 1
1123 1 63 GLU HA 1 69 TYR HB3 . . 4.870 4.092 3.616 4.354 . 0 0 "[ . 1 . 2]" 1
1124 1 63 GLU HA 1 69 TYR QD . . 3.900 3.239 2.505 3.636 . 0 0 "[ . 1 . 2]" 1
1125 1 63 GLU HA 1 69 TYR QE . . 4.240 3.774 3.197 4.144 . 0 0 "[ . 1 . 2]" 1
1126 1 63 GLU HA 1 70 ASP H . . 4.450 3.936 3.672 4.208 . 0 0 "[ . 1 . 2]" 1
1127 1 63 GLU QB 1 64 ASN H . . 3.530 2.749 2.524 3.004 . 0 0 "[ . 1 . 2]" 1
1128 1 63 GLU QB 1 69 TYR QD . . 4.750 3.455 2.738 3.849 . 0 0 "[ . 1 . 2]" 1
1129 1 63 GLU QB 1 69 TYR QE . . 3.410 2.731 1.992 3.362 . 0 0 "[ . 1 . 2]" 1
1130 1 64 ASN H 1 64 ASN HB2 . . 3.820 2.480 2.317 2.581 . 0 0 "[ . 1 . 2]" 1
1131 1 64 ASN H 1 64 ASN HB3 . . 3.780 3.617 3.519 3.701 . 0 0 "[ . 1 . 2]" 1
1132 1 64 ASN H 1 64 ASN HD21 . . 4.040 3.076 2.987 3.195 . 0 0 "[ . 1 . 2]" 1
1133 1 64 ASN H 1 64 ASN HD22 . . 4.670 4.670 4.581 4.686 0.016 18 0 "[ . 1 . 2]" 1
1134 1 64 ASN H 1 65 GLU H . . 4.750 4.476 4.420 4.539 . 0 0 "[ . 1 . 2]" 1
1135 1 64 ASN H 1 68 THR H . . 4.610 3.126 2.804 3.498 . 0 0 "[ . 1 . 2]" 1
1136 1 64 ASN H 1 69 TYR H . . 5.160 5.111 4.990 5.158 . 0 0 "[ . 1 . 2]" 1
1137 1 64 ASN H 1 69 TYR HA . . 3.890 3.616 3.235 3.888 . 0 0 "[ . 1 . 2]" 1
1138 1 64 ASN H 1 69 TYR QD . . 4.700 4.188 3.919 4.634 . 0 0 "[ . 1 . 2]" 1
1139 1 64 ASN HA 1 65 GLU HA . . 4.830 4.313 4.299 4.350 . 0 0 "[ . 1 . 2]" 1
1140 1 64 ASN HA 1 66 ASP H . . 4.410 3.998 3.749 4.252 . 0 0 "[ . 1 . 2]" 1
1141 1 64 ASN HB2 1 64 ASN HD22 . . 4.030 3.540 3.486 3.642 . 0 0 "[ . 1 . 2]" 1
1142 1 64 ASN HB2 1 65 GLU H . . 4.330 3.986 3.880 4.129 . 0 0 "[ . 1 . 2]" 1
1143 1 64 ASN HB2 1 66 ASP H . . 3.930 3.514 3.269 3.838 . 0 0 "[ . 1 . 2]" 1
1144 1 64 ASN HB2 1 67 GLY H . . 5.070 4.126 3.113 4.878 . 0 0 "[ . 1 . 2]" 1
1145 1 64 ASN HB2 1 68 THR H . . 4.460 2.538 2.055 2.967 . 0 0 "[ . 1 . 2]" 1
1146 1 64 ASN HB3 1 65 GLU H . . 4.920 2.665 2.492 2.909 . 0 0 "[ . 1 . 2]" 1
1147 1 64 ASN HB3 1 66 ASP H . . 4.070 2.271 2.113 2.457 . 0 0 "[ . 1 . 2]" 1
1148 1 64 ASN HB3 1 67 GLY H . . 4.870 3.922 2.989 4.681 . 0 0 "[ . 1 . 2]" 1
1149 1 64 ASN HB3 1 68 THR H . . 4.050 3.374 2.941 3.940 . 0 0 "[ . 1 . 2]" 1
1150 1 64 ASN HD21 1 68 THR H . . 4.900 4.625 4.277 4.901 0.001 19 0 "[ . 1 . 2]" 1
1151 1 64 ASN HD21 1 68 THR HB . . 4.940 4.538 3.977 4.902 . 0 0 "[ . 1 . 2]" 1
1152 1 64 ASN HD21 1 69 TYR HA . . 4.750 3.282 2.879 3.697 . 0 0 "[ . 1 . 2]" 1
1153 1 64 ASN HD21 1 70 ASP H . . 4.630 3.329 2.741 3.906 . 0 0 "[ . 1 . 2]" 1
1154 1 64 ASN HD22 1 68 THR HB . . 5.500 5.385 5.040 5.500 0.000 1 0 "[ . 1 . 2]" 1
1155 1 64 ASN HD22 1 69 TYR HA . . 4.910 4.678 4.361 4.910 . 4 0 "[ . 1 . 2]" 1
1156 1 64 ASN HD22 1 70 ASP H . . 4.460 3.982 3.490 4.414 . 0 0 "[ . 1 . 2]" 1
1157 1 65 GLU H 1 65 GLU QG . . 4.570 2.946 1.907 4.058 . 0 0 "[ . 1 . 2]" 1
1158 1 65 GLU H 1 66 ASP H . . 4.080 2.625 2.495 2.735 . 0 0 "[ . 1 . 2]" 1
1159 1 65 GLU HA 1 65 GLU QG . . 3.670 2.769 2.227 3.439 . 0 0 "[ . 1 . 2]" 1
1160 1 65 GLU QB 1 66 ASP H . . 3.980 3.259 2.686 3.992 0.012 10 0 "[ . 1 . 2]" 1
1161 1 65 GLU HB2 1 66 ASP H . . 4.580 3.772 2.898 4.464 . 0 0 "[ . 1 . 2]" 1
1162 1 65 GLU HB3 1 66 ASP H . . 4.580 3.778 2.741 4.524 . 0 0 "[ . 1 . 2]" 1
1163 1 65 GLU QG 1 66 ASP H . . 4.940 3.866 2.279 4.640 . 0 0 "[ . 1 . 2]" 1
1164 1 66 ASP H 1 66 ASP HB2 . . 3.880 2.630 2.217 3.803 . 0 0 "[ . 1 . 2]" 1
1165 1 66 ASP H 1 66 ASP QB . . 3.340 2.340 2.191 2.785 . 0 0 "[ . 1 . 2]" 1
1166 1 66 ASP H 1 66 ASP HB3 . . 3.880 3.080 2.265 3.768 . 0 0 "[ . 1 . 2]" 1
1167 1 66 ASP H 1 68 THR H . . 3.900 3.541 3.293 3.808 . 0 0 "[ . 1 . 2]" 1
1168 1 67 GLY H 1 68 THR H . . 3.230 2.526 2.017 2.958 . 0 0 "[ . 1 . 2]" 1
1169 1 68 THR H 1 68 THR MG . . 3.630 3.122 2.719 3.491 . 0 0 "[ . 1 . 2]" 1
1170 1 68 THR H 1 69 TYR H . . 4.940 4.457 4.389 4.522 . 0 0 "[ . 1 . 2]" 1
1171 1 68 THR HA 1 68 THR MG . . 3.390 2.218 2.005 2.452 . 0 0 "[ . 1 . 2]" 1
1172 1 68 THR HA 1 69 TYR H . . 3.070 2.329 2.152 2.529 . 0 0 "[ . 1 . 2]" 1
1173 1 68 THR HA 1 69 TYR HB2 . . 4.780 4.394 4.231 4.642 . 0 0 "[ . 1 . 2]" 1
1174 1 68 THR HA 1 69 TYR QD . . 4.140 2.856 2.668 3.088 . 0 0 "[ . 1 . 2]" 1
1175 1 68 THR HA 1 69 TYR QE . . 5.030 4.424 3.943 4.894 . 0 0 "[ . 1 . 2]" 1
1176 1 68 THR HB 1 69 TYR H . . 3.290 2.634 2.156 3.276 . 0 0 "[ . 1 . 2]" 1
1177 1 68 THR HB 1 69 TYR QD . . 4.810 4.650 4.436 4.809 . 0 0 "[ . 1 . 2]" 1
1178 1 68 THR MG 1 69 TYR H . . 3.950 3.550 3.153 3.881 . 0 0 "[ . 1 . 2]" 1
1179 1 69 TYR H 1 69 TYR HB2 . . 3.730 2.638 2.463 2.836 . 0 0 "[ . 1 . 2]" 1
1180 1 69 TYR H 1 69 TYR HB3 . . 4.060 3.766 3.671 3.889 . 0 0 "[ . 1 . 2]" 1
1181 1 69 TYR H 1 69 TYR QD . . 3.460 2.724 2.238 3.123 . 0 0 "[ . 1 . 2]" 1
1182 1 69 TYR HA 1 69 TYR QD . . 4.070 3.098 3.027 3.182 . 0 0 "[ . 1 . 2]" 1
1183 1 69 TYR HA 1 69 TYR QE . . 5.430 4.656 4.571 4.826 . 0 0 "[ . 1 . 2]" 1
1184 1 69 TYR HA 1 70 ASP H . . 3.110 2.143 2.137 2.176 . 0 0 "[ . 1 . 2]" 1
1185 1 69 TYR HB2 1 70 ASP H . . 4.800 4.328 4.186 4.443 . 0 0 "[ . 1 . 2]" 1
1186 1 69 TYR HB2 1 71 ILE MD . . 4.030 3.787 3.647 4.015 . 0 0 "[ . 1 . 2]" 1
1187 1 69 TYR HB3 1 70 ASP H . . 4.500 3.425 3.160 3.577 . 0 0 "[ . 1 . 2]" 1
1188 1 69 TYR HB3 1 71 ILE MD . . 4.220 3.538 3.215 3.872 . 0 0 "[ . 1 . 2]" 1
1189 1 69 TYR HB3 1 71 ILE HG13 . . 4.980 3.477 3.275 3.831 . 0 0 "[ . 1 . 2]" 1
1190 1 70 ASP H 1 70 ASP QB . . 3.460 2.508 2.269 3.018 . 0 0 "[ . 1 . 2]" 1
1191 1 70 ASP H 1 71 ILE H . . 4.530 4.469 4.327 4.513 . 0 0 "[ . 1 . 2]" 1
1192 1 70 ASP HA 1 71 ILE H . . 2.860 2.155 2.139 2.166 . 0 0 "[ . 1 . 2]" 1
1193 1 70 ASP QB 1 71 ILE H . . 3.710 3.206 3.092 3.621 . 0 0 "[ . 1 . 2]" 1
1194 1 70 ASP QB 1 72 PHE QE . . 3.670 2.361 2.183 2.801 . 0 0 "[ . 1 . 2]" 1
1195 1 70 ASP QB 1 72 PHE HZ . . 4.020 2.600 2.260 3.055 . 0 0 "[ . 1 . 2]" 1
1196 1 70 ASP HB2 1 71 ILE H . . 4.400 4.111 3.307 4.357 . 0 0 "[ . 1 . 2]" 1
1197 1 70 ASP HB2 1 72 PHE QE . . 4.210 2.883 2.298 3.882 . 0 0 "[ . 1 . 2]" 1
1198 1 70 ASP HB2 1 72 PHE HZ . . 4.720 3.628 3.095 4.004 . 0 0 "[ . 1 . 2]" 1
1199 1 70 ASP HB3 1 71 ILE H . . 4.400 3.398 3.205 3.915 . 0 0 "[ . 1 . 2]" 1
1200 1 70 ASP HB3 1 72 PHE QE . . 4.210 2.716 2.223 4.207 . 0 0 "[ . 1 . 2]" 1
1201 1 70 ASP HB3 1 72 PHE HZ . . 4.720 2.774 2.284 4.289 . 0 0 "[ . 1 . 2]" 1
1202 1 71 ILE H 1 71 ILE HB . . 3.380 2.738 2.681 2.796 . 0 0 "[ . 1 . 2]" 1
1203 1 71 ILE H 1 71 ILE MD . . 4.160 3.765 3.570 4.051 . 0 0 "[ . 1 . 2]" 1
1204 1 71 ILE H 1 71 ILE HG12 . . 4.450 4.210 4.074 4.290 . 0 0 "[ . 1 . 2]" 1
1205 1 71 ILE H 1 71 ILE HG13 . . 3.730 2.883 2.720 2.998 . 0 0 "[ . 1 . 2]" 1
1206 1 71 ILE H 1 71 ILE MG . . 4.120 3.888 3.858 3.918 . 0 0 "[ . 1 . 2]" 1
1207 1 71 ILE H 1 72 PHE H . . 4.810 4.402 4.325 4.468 . 0 0 "[ . 1 . 2]" 1
1208 1 71 ILE H 1 72 PHE QD . . 4.950 4.444 4.246 4.754 . 0 0 "[ . 1 . 2]" 1
1209 1 71 ILE HA 1 71 ILE MD . . 4.250 3.897 3.853 3.936 . 0 0 "[ . 1 . 2]" 1
1210 1 71 ILE HA 1 71 ILE HG12 . . 4.090 2.785 2.599 2.893 . 0 0 "[ . 1 . 2]" 1
1211 1 71 ILE HA 1 71 ILE HG13 . . 4.210 2.792 2.705 2.945 . 0 0 "[ . 1 . 2]" 1
1212 1 71 ILE HA 1 71 ILE MG . . 3.510 2.328 2.200 2.438 . 0 0 "[ . 1 . 2]" 1
1213 1 71 ILE HA 1 72 PHE H . . 2.930 2.216 2.163 2.295 . 0 0 "[ . 1 . 2]" 1
1214 1 71 ILE HA 1 72 PHE HA . . 4.750 4.425 4.398 4.452 . 0 0 "[ . 1 . 2]" 1
1215 1 71 ILE HA 1 72 PHE QD . . 4.700 2.920 2.625 3.291 . 0 0 "[ . 1 . 2]" 1
1216 1 71 ILE HB 1 71 ILE MD . . 3.460 2.271 2.201 2.389 . 0 0 "[ . 1 . 2]" 1
1217 1 71 ILE HB 1 72 PHE H . . 4.630 3.946 3.677 4.087 . 0 0 "[ . 1 . 2]" 1
1218 1 71 ILE HG12 1 71 ILE MG . . 3.490 2.182 2.039 2.301 . 0 0 "[ . 1 . 2]" 1
1219 1 71 ILE HG12 1 72 PHE H . . 4.520 4.379 4.197 4.520 . 0 0 "[ . 1 . 2]" 1
1220 1 71 ILE HG13 1 72 PHE H . . 4.960 4.803 4.697 4.959 . 0 0 "[ . 1 . 2]" 1
1221 1 71 ILE MG 1 72 PHE H . . 3.450 2.106 1.863 2.344 . 0 0 "[ . 1 . 2]" 1
1222 1 71 ILE MG 1 72 PHE HA . . 4.770 3.536 3.327 3.740 . 0 0 "[ . 1 . 2]" 1
1223 1 71 ILE MG 1 73 TYR QD . . 4.100 3.327 2.902 3.785 . 0 0 "[ . 1 . 2]" 1
1224 1 72 PHE H 1 72 PHE HB2 . . 3.570 2.878 2.759 3.007 . 0 0 "[ . 1 . 2]" 1
1225 1 72 PHE H 1 72 PHE HB3 . . 3.930 3.876 3.820 3.933 0.003 1 0 "[ . 1 . 2]" 1
1226 1 72 PHE H 1 72 PHE QD . . 4.000 2.379 2.130 2.712 . 0 0 "[ . 1 . 2]" 1
1227 1 72 PHE H 1 73 TYR H . . 4.520 4.416 4.373 4.465 . 0 0 "[ . 1 . 2]" 1
1228 1 72 PHE HA 1 72 PHE QD . . 4.050 3.203 3.086 3.296 . 0 0 "[ . 1 . 2]" 1
1229 1 72 PHE HA 1 73 TYR H . . 2.940 2.271 2.228 2.307 . 0 0 "[ . 1 . 2]" 1
1230 1 72 PHE HB2 1 73 TYR H . . 4.050 3.705 3.563 3.830 . 0 0 "[ . 1 . 2]" 1
1231 1 72 PHE HB3 1 73 TYR H . . 3.600 2.827 2.712 2.957 . 0 0 "[ . 1 . 2]" 1
1232 1 72 PHE HB3 1 73 TYR HA . . 4.600 4.487 4.374 4.561 . 0 0 "[ . 1 . 2]" 1
1233 1 72 PHE QD 1 73 TYR H . . 4.480 4.343 4.162 4.452 . 0 0 "[ . 1 . 2]" 1
1234 1 73 TYR H 1 73 TYR QB . . 3.610 3.136 3.063 3.222 . 0 0 "[ . 1 . 2]" 1
1235 1 73 TYR H 1 73 TYR QD . . 3.780 3.408 3.098 3.572 . 0 0 "[ . 1 . 2]" 1
1236 1 73 TYR H 1 74 THR H . . 4.590 4.327 4.267 4.368 . 0 0 "[ . 1 . 2]" 1
1237 1 73 TYR HA 1 73 TYR QD . . 4.140 3.647 3.570 3.717 . 0 0 "[ . 1 . 2]" 1
1238 1 73 TYR HA 1 74 THR H . . 3.030 2.324 2.228 2.414 . 0 0 "[ . 1 . 2]" 1
1239 1 73 TYR HA 1 74 THR HB . . 4.760 4.647 4.572 4.759 . 0 0 "[ . 1 . 2]" 1
1240 1 73 TYR QB 1 74 THR H . . 3.130 2.680 2.481 2.950 . 0 0 "[ . 1 . 2]" 1
1241 1 73 TYR QB 1 83 ILE MD . . 5.160 4.600 4.063 4.990 . 0 0 "[ . 1 . 2]" 1
1242 1 73 TYR QD 1 73 TYR HH . . 4.440 4.295 4.242 4.352 . 0 0 "[ . 1 . 2]" 1
1243 1 73 TYR QD 1 74 THR H . . 3.710 2.867 2.531 3.183 . 0 0 "[ . 1 . 2]" 1
1244 1 73 TYR QD 1 74 THR HA . . 4.560 3.251 2.889 3.588 . 0 0 "[ . 1 . 2]" 1
1245 1 73 TYR QD 1 75 ALA MB . . 4.260 3.807 3.477 4.051 . 0 0 "[ . 1 . 2]" 1
1246 1 73 TYR QD 1 83 ILE MD . . 4.530 3.398 2.723 3.900 . 0 0 "[ . 1 . 2]" 1
1247 1 73 TYR QE 1 73 TYR HH . . 3.150 2.403 2.195 2.638 . 0 0 "[ . 1 . 2]" 1
1248 1 73 TYR QE 1 75 ALA MB . . 3.520 2.889 2.360 3.300 . 0 0 "[ . 1 . 2]" 1
1249 1 73 TYR QE 1 83 ILE MD . . 3.670 2.306 1.930 2.944 . 0 0 "[ . 1 . 2]" 1
1250 1 73 TYR QE 1 83 ILE HG12 . . 5.400 4.252 3.839 4.833 . 0 0 "[ . 1 . 2]" 1
1251 1 73 TYR QE 1 99 VAL MG1 . . 4.790 3.637 3.164 4.064 . 0 0 "[ . 1 . 2]" 1
1252 1 73 TYR QE 1 99 VAL MG2 . . 5.160 4.042 3.288 4.457 . 0 0 "[ . 1 . 2]" 1
1253 1 73 TYR HH 1 83 ILE MD . . 3.690 2.885 2.120 3.645 . 0 0 "[ . 1 . 2]" 1
1254 1 73 TYR HH 1 99 VAL MG2 . . 4.120 3.245 2.721 3.795 . 0 0 "[ . 1 . 2]" 1
1255 1 74 THR H 1 74 THR HB . . 3.270 2.701 2.599 2.863 . 0 0 "[ . 1 . 2]" 1
1256 1 74 THR H 1 74 THR MG . . 3.960 3.882 3.834 3.949 . 0 0 "[ . 1 . 2]" 1
1257 1 74 THR H 1 75 ALA H . . 4.520 4.466 4.396 4.519 . 0 0 "[ . 1 . 2]" 1
1258 1 74 THR HA 1 74 THR MG . . 3.400 2.320 2.192 2.422 . 0 0 "[ . 1 . 2]" 1
1259 1 74 THR HA 1 75 ALA H . . 2.930 2.275 2.177 2.380 . 0 0 "[ . 1 . 2]" 1
1260 1 74 THR HA 1 75 ALA MB . . 4.440 3.882 3.813 3.955 . 0 0 "[ . 1 . 2]" 1
1261 1 74 THR HB 1 75 ALA H . . 4.730 3.802 3.518 4.044 . 0 0 "[ . 1 . 2]" 1
1262 1 74 THR MG 1 75 ALA H . . 3.490 2.044 1.832 2.276 . 0 0 "[ . 1 . 2]" 1
1263 1 74 THR MG 1 75 ALA HA . . 3.900 3.767 3.561 3.886 . 0 0 "[ . 1 . 2]" 1
1264 1 74 THR MG 1 76 ALA H . . 4.150 3.580 3.231 3.832 . 0 0 "[ . 1 . 2]" 1
1265 1 74 THR MG 1 76 ALA HA . . 3.640 3.504 3.304 3.619 . 0 0 "[ . 1 . 2]" 1
1266 1 74 THR MG 1 76 ALA MB . . 4.120 3.976 3.626 4.112 . 0 0 "[ . 1 . 2]" 1
1267 1 75 ALA H 1 75 ALA MB . . 3.240 2.345 2.204 2.469 . 0 0 "[ . 1 . 2]" 1
1268 1 75 ALA H 1 76 ALA H . . 4.770 4.023 3.825 4.153 . 0 0 "[ . 1 . 2]" 1
1269 1 75 ALA HA 1 76 ALA H . . 2.920 2.219 2.180 2.271 . 0 0 "[ . 1 . 2]" 1
1270 1 75 ALA HA 1 76 ALA MB . . 4.120 4.040 3.953 4.085 . 0 0 "[ . 1 . 2]" 1
1271 1 75 ALA HA 1 77 LYS H . . 4.060 3.920 3.680 4.070 0.010 15 0 "[ . 1 . 2]" 1
1272 1 75 ALA HA 1 81 TYR QE . . 3.840 3.062 2.634 3.636 . 0 0 "[ . 1 . 2]" 1
1273 1 75 ALA MB 1 76 ALA H . . 3.790 3.535 3.476 3.602 . 0 0 "[ . 1 . 2]" 1
1274 1 75 ALA MB 1 77 LYS H . . 4.340 3.866 3.568 4.254 . 0 0 "[ . 1 . 2]" 1
1275 1 75 ALA MB 1 81 TYR QD . . 4.540 3.871 3.377 4.221 . 0 0 "[ . 1 . 2]" 1
1276 1 75 ALA MB 1 81 TYR QE . . 3.850 3.109 2.694 3.651 . 0 0 "[ . 1 . 2]" 1
1277 1 75 ALA MB 1 101 ALA MB . . 3.090 2.387 2.071 2.602 . 0 0 "[ . 1 . 2]" 1
1278 1 76 ALA H 1 76 ALA MB . . 2.990 2.209 2.024 2.234 . 0 0 "[ . 1 . 2]" 1
1279 1 76 ALA H 1 77 LYS H . . 3.320 2.855 2.773 2.961 . 0 0 "[ . 1 . 2]" 1
1280 1 76 ALA H 1 81 TYR QE . . 4.220 4.108 3.838 4.221 0.001 15 0 "[ . 1 . 2]" 1
1281 1 76 ALA MB 1 77 LYS H . . 3.320 2.355 2.152 2.580 . 0 0 "[ . 1 . 2]" 1
1282 1 76 ALA MB 1 77 LYS HA . . 4.810 4.064 3.917 4.148 . 0 0 "[ . 1 . 2]" 1
1283 1 77 LYS H 1 77 LYS HB2 . . 3.920 3.157 2.459 3.857 . 0 0 "[ . 1 . 2]" 1
1284 1 77 LYS H 1 77 LYS QB . . 3.380 2.702 2.423 3.020 . 0 0 "[ . 1 . 2]" 1
1285 1 77 LYS H 1 77 LYS HB3 . . 3.920 3.400 2.790 3.837 . 0 0 "[ . 1 . 2]" 1
1286 1 77 LYS H 1 77 LYS QD . . 4.250 3.403 1.892 4.251 0.001 9 0 "[ . 1 . 2]" 1
1287 1 77 LYS H 1 77 LYS QG . . 3.380 2.923 2.086 3.410 0.030 19 0 "[ . 1 . 2]" 1
1288 1 77 LYS H 1 78 PRO HD2 . . 5.070 4.818 4.801 4.830 . 0 0 "[ . 1 . 2]" 1
1289 1 77 LYS H 1 78 PRO HD3 . . 5.090 4.960 4.887 5.053 . 0 0 "[ . 1 . 2]" 1
1290 1 77 LYS H 1 81 TYR QE . . 4.650 4.182 3.945 4.436 . 0 0 "[ . 1 . 2]" 1
1291 1 77 LYS HA 1 77 LYS QD . . 4.600 3.530 2.056 4.467 . 0 0 "[ . 1 . 2]" 1
1292 1 77 LYS HA 1 77 LYS QG . . 3.720 2.942 2.407 3.424 . 0 0 "[ . 1 . 2]" 1
1293 1 77 LYS HA 1 78 PRO HD2 . . 3.350 2.369 2.299 2.406 . 0 0 "[ . 1 . 2]" 1
1294 1 77 LYS HA 1 78 PRO HD3 . . 3.280 2.290 2.269 2.302 . 0 0 "[ . 1 . 2]" 1
1295 1 77 LYS HA 1 78 PRO QG . . 4.020 3.983 3.940 4.006 . 0 0 "[ . 1 . 2]" 1
1296 1 77 LYS QB 1 78 PRO HD2 . . 3.290 2.048 1.984 2.190 . 0 0 "[ . 1 . 2]" 1
1297 1 77 LYS QB 1 78 PRO HD3 . . 3.920 3.387 3.291 3.518 . 0 0 "[ . 1 . 2]" 1
1298 1 77 LYS HB2 1 78 PRO HD2 . . 4.040 2.920 1.993 3.714 . 0 0 "[ . 1 . 2]" 1
1299 1 77 LYS HB2 1 78 PRO HD3 . . 4.750 4.140 3.378 4.751 0.001 2 0 "[ . 1 . 2]" 1
1300 1 77 LYS HB3 1 78 PRO HD2 . . 4.040 2.728 1.998 3.588 . 0 0 "[ . 1 . 2]" 1
1301 1 77 LYS HB3 1 78 PRO HD3 . . 4.750 3.950 3.447 4.542 . 0 0 "[ . 1 . 2]" 1
1302 1 77 LYS QD 1 78 PRO HD2 . . 4.560 4.034 2.310 4.595 0.035 19 0 "[ . 1 . 2]" 1
1303 1 77 LYS QE 1 77 LYS QG . . 3.470 2.162 2.003 2.346 . 0 0 "[ . 1 . 2]" 1
1304 1 77 LYS QG 1 78 PRO HD2 . . 4.270 3.434 2.927 3.864 . 0 0 "[ . 1 . 2]" 1
1305 1 77 LYS QG 1 78 PRO HD3 . . 4.660 4.354 3.804 4.656 . 0 0 "[ . 1 . 2]" 1
1306 1 78 PRO HA 1 79 GLY H . . 3.010 2.378 2.274 2.632 . 0 0 "[ . 1 . 2]" 1
1307 1 78 PRO HA 1 101 ALA H . . 4.590 4.294 4.026 4.456 . 0 0 "[ . 1 . 2]" 1
1308 1 78 PRO HA 1 101 ALA MB . . 3.430 2.076 1.839 2.357 . 0 0 "[ . 1 . 2]" 1
1309 1 78 PRO HB2 1 79 GLY H . . 3.540 2.697 2.096 2.982 . 0 0 "[ . 1 . 2]" 1
1310 1 78 PRO HB2 1 79 GLY QA . . 4.720 3.660 3.498 3.746 . 0 0 "[ . 1 . 2]" 1
1311 1 78 PRO HB2 1 102 THR HA . . 4.810 3.797 3.186 4.220 . 0 0 "[ . 1 . 2]" 1
1312 1 78 PRO HB2 1 103 ASP H . . 4.830 4.290 3.746 4.815 . 0 0 "[ . 1 . 2]" 1
1313 1 78 PRO HB3 1 79 GLY H . . 3.750 3.504 3.220 3.657 . 0 0 "[ . 1 . 2]" 1
1314 1 78 PRO HB3 1 102 THR HA . . 4.450 3.214 2.382 3.623 . 0 0 "[ . 1 . 2]" 1
1315 1 78 PRO HB3 1 103 ASP H . . 4.500 3.308 2.839 3.848 . 0 0 "[ . 1 . 2]" 1
1316 1 79 GLY H 1 80 THR HA . . 5.380 4.794 4.724 5.004 . 0 0 "[ . 1 . 2]" 1
1317 1 79 GLY H 1 81 TYR QE . . 4.260 3.729 3.383 4.260 . 19 0 "[ . 1 . 2]" 1
1318 1 79 GLY H 1 100 MET HA . . 4.730 4.640 4.422 4.732 0.002 19 0 "[ . 1 . 2]" 1
1319 1 79 GLY H 1 101 ALA H . . 3.630 3.042 2.771 3.338 . 0 0 "[ . 1 . 2]" 1
1320 1 79 GLY H 1 101 ALA MB . . 3.430 2.658 1.967 3.403 . 0 0 "[ . 1 . 2]" 1
1321 1 79 GLY H 1 102 THR HA . . 5.500 4.502 3.901 5.042 . 0 0 "[ . 1 . 2]" 1
1322 1 79 GLY QA 1 80 THR HB . . 4.880 4.466 4.384 4.546 . 0 0 "[ . 1 . 2]" 1
1323 1 79 GLY HA2 1 80 THR H . . 3.090 2.869 2.705 3.042 . 0 0 "[ . 1 . 2]" 1
1324 1 79 GLY HA3 1 80 THR H . . 3.090 2.303 2.192 2.428 . 0 0 "[ . 1 . 2]" 1
1325 1 80 THR H 1 80 THR HB . . 2.930 2.639 2.555 2.736 . 0 0 "[ . 1 . 2]" 1
1326 1 80 THR H 1 80 THR MG . . 4.090 3.851 3.806 3.894 . 0 0 "[ . 1 . 2]" 1
1327 1 80 THR H 1 81 TYR H . . 4.440 4.148 3.973 4.303 . 0 0 "[ . 1 . 2]" 1
1328 1 80 THR HA 1 80 THR MG . . 3.230 2.314 2.212 2.432 . 0 0 "[ . 1 . 2]" 1
1329 1 80 THR HA 1 81 TYR H . . 3.010 2.175 2.147 2.219 . 0 0 "[ . 1 . 2]" 1
1330 1 80 THR HA 1 81 TYR QD . . 4.930 3.485 3.295 3.764 . 0 0 "[ . 1 . 2]" 1
1331 1 80 THR HA 1 100 MET HA . . 3.560 2.882 2.429 3.210 . 0 0 "[ . 1 . 2]" 1
1332 1 80 THR HA 1 100 MET QB . . 5.340 4.384 4.023 4.812 . 0 0 "[ . 1 . 2]" 1
1333 1 80 THR HA 1 101 ALA H . . 4.070 3.704 3.349 4.071 0.001 7 0 "[ . 1 . 2]" 1
1334 1 80 THR HB 1 81 TYR H . . 4.690 4.372 4.261 4.462 . 0 0 "[ . 1 . 2]" 1
1335 1 80 THR HB 1 82 VAL MG2 . . 4.450 4.340 4.159 4.448 . 0 0 "[ . 1 . 2]" 1
1336 1 80 THR MG 1 81 TYR H . . 3.540 3.078 2.792 3.330 . 0 0 "[ . 1 . 2]" 1
1337 1 80 THR MG 1 82 VAL MG2 . . 3.080 2.818 2.552 3.057 . 0 0 "[ . 1 . 2]" 1
1338 1 80 THR MG 1 98 THR HA . . 4.610 3.847 2.976 4.161 . 0 0 "[ . 1 . 2]" 1
1339 1 80 THR MG 1 99 VAL H . . 4.310 3.588 2.627 3.904 . 0 0 "[ . 1 . 2]" 1
1340 1 81 TYR H 1 81 TYR HB2 . . 3.700 2.333 2.295 2.390 . 0 0 "[ . 1 . 2]" 1
1341 1 81 TYR H 1 81 TYR HB3 . . 3.980 3.588 3.563 3.627 . 0 0 "[ . 1 . 2]" 1
1342 1 81 TYR H 1 81 TYR QD . . 3.650 2.327 1.960 2.554 . 0 0 "[ . 1 . 2]" 1
1343 1 81 TYR H 1 81 TYR QE . . 4.940 4.661 4.321 4.860 . 0 0 "[ . 1 . 2]" 1
1344 1 81 TYR H 1 82 VAL H . . 4.640 4.544 4.482 4.602 . 0 0 "[ . 1 . 2]" 1
1345 1 81 TYR H 1 82 VAL MG2 . . 4.800 4.559 4.333 4.746 . 0 0 "[ . 1 . 2]" 1
1346 1 81 TYR H 1 99 VAL H . . 3.930 3.758 3.518 3.900 . 0 0 "[ . 1 . 2]" 1
1347 1 81 TYR H 1 99 VAL HB . . 4.540 3.712 3.275 3.913 . 0 0 "[ . 1 . 2]" 1
1348 1 81 TYR H 1 99 VAL MG1 . . 5.040 4.137 3.806 4.444 . 0 0 "[ . 1 . 2]" 1
1349 1 81 TYR H 1 100 MET HA . . 3.960 3.407 3.095 3.818 . 0 0 "[ . 1 . 2]" 1
1350 1 81 TYR H 1 101 ALA H . . 4.460 3.768 3.425 4.292 . 0 0 "[ . 1 . 2]" 1
1351 1 81 TYR HA 1 82 VAL H . . 2.780 2.204 2.169 2.303 . 0 0 "[ . 1 . 2]" 1
1352 1 81 TYR HA 1 99 VAL HB . . 5.470 4.989 4.754 5.309 . 0 0 "[ . 1 . 2]" 1
1353 1 81 TYR HB2 1 82 VAL H . . 4.310 4.163 3.943 4.269 . 0 0 "[ . 1 . 2]" 1
1354 1 81 TYR HB2 1 83 ILE MD . . 4.640 4.392 4.069 4.628 . 0 0 "[ . 1 . 2]" 1
1355 1 81 TYR HB2 1 99 VAL H . . 4.510 4.116 3.862 4.351 . 0 0 "[ . 1 . 2]" 1
1356 1 81 TYR HB2 1 99 VAL HB . . 3.920 2.559 2.338 2.700 . 0 0 "[ . 1 . 2]" 1
1357 1 81 TYR HB2 1 99 VAL MG1 . . 4.320 3.074 2.625 3.626 . 0 0 "[ . 1 . 2]" 1
1358 1 81 TYR HB2 1 99 VAL MG2 . . 4.230 4.079 3.842 4.207 . 0 0 "[ . 1 . 2]" 1
1359 1 81 TYR HB3 1 82 VAL H . . 3.810 3.038 2.691 3.198 . 0 0 "[ . 1 . 2]" 1
1360 1 81 TYR HB3 1 83 ILE MD . . 4.230 3.988 3.730 4.187 . 0 0 "[ . 1 . 2]" 1
1361 1 81 TYR HB3 1 83 ILE HG12 . . 5.110 4.530 4.278 4.768 . 0 0 "[ . 1 . 2]" 1
1362 1 81 TYR HB3 1 99 VAL H . . 5.090 4.925 4.752 5.086 . 0 0 "[ . 1 . 2]" 1
1363 1 81 TYR HB3 1 99 VAL HB . . 4.250 3.467 3.170 3.839 . 0 0 "[ . 1 . 2]" 1
1364 1 81 TYR HB3 1 99 VAL MG1 . . 4.800 4.128 3.657 4.752 . 0 0 "[ . 1 . 2]" 1
1365 1 81 TYR HB3 1 99 VAL MG2 . . 4.620 4.406 4.110 4.624 0.004 18 0 "[ . 1 . 2]" 1
1366 1 81 TYR QD 1 82 VAL H . . 4.290 4.168 3.832 4.291 0.001 5 0 "[ . 1 . 2]" 1
1367 1 81 TYR QD 1 101 ALA H . . 3.960 3.479 2.934 3.797 . 0 0 "[ . 1 . 2]" 1
1368 1 81 TYR QD 1 101 ALA MB . . 4.600 2.922 2.316 3.357 . 0 0 "[ . 1 . 2]" 1
1369 1 81 TYR QE 1 101 ALA H . . 4.720 4.511 4.144 4.706 . 0 0 "[ . 1 . 2]" 1
1370 1 81 TYR QE 1 101 ALA MB . . 3.340 2.873 2.088 3.181 . 0 0 "[ . 1 . 2]" 1
1371 1 82 VAL H 1 82 VAL HB . . 3.790 2.600 2.481 2.692 . 0 0 "[ . 1 . 2]" 1
1372 1 82 VAL H 1 82 VAL MG1 . . 4.050 3.819 3.735 3.865 . 0 0 "[ . 1 . 2]" 1
1373 1 82 VAL H 1 82 VAL MG2 . . 3.480 2.858 2.694 3.054 . 0 0 "[ . 1 . 2]" 1
1374 1 82 VAL H 1 83 ILE H . . 4.550 4.211 4.120 4.296 . 0 0 "[ . 1 . 2]" 1
1375 1 82 VAL HA 1 82 VAL MG1 . . 3.390 2.430 2.329 2.485 . 0 0 "[ . 1 . 2]" 1
1376 1 82 VAL HA 1 82 VAL MG2 . . 3.130 2.321 2.134 2.422 . 0 0 "[ . 1 . 2]" 1
1377 1 82 VAL HA 1 83 ILE H . . 2.980 2.146 2.140 2.152 . 0 0 "[ . 1 . 2]" 1
1378 1 82 VAL HA 1 83 ILE HB . . 4.700 4.645 4.562 4.696 . 0 0 "[ . 1 . 2]" 1
1379 1 82 VAL HA 1 97 PHE H . . 4.850 3.964 3.708 4.120 . 0 0 "[ . 1 . 2]" 1
1380 1 82 VAL HA 1 98 THR HA . . 4.760 3.666 3.269 3.938 . 0 0 "[ . 1 . 2]" 1
1381 1 82 VAL HA 1 99 VAL H . . 4.090 3.738 3.443 3.994 . 0 0 "[ . 1 . 2]" 1
1382 1 82 VAL HA 1 99 VAL HB . . 5.500 4.699 4.324 5.309 . 0 0 "[ . 1 . 2]" 1
1383 1 82 VAL HB 1 84 TYR QD . . 5.500 5.239 4.932 5.483 . 0 0 "[ . 1 . 2]" 1
1384 1 82 VAL HB 1 84 TYR QE . . 4.460 4.169 3.655 4.436 . 0 0 "[ . 1 . 2]" 1
1385 1 82 VAL MG1 1 83 ILE H . . 3.400 2.873 2.548 3.032 . 0 0 "[ . 1 . 2]" 1
1386 1 82 VAL MG1 1 83 ILE HA . . 4.810 3.775 3.663 3.909 . 0 0 "[ . 1 . 2]" 1
1387 1 82 VAL MG1 1 84 TYR HA . . 5.280 4.153 4.015 4.353 . 0 0 "[ . 1 . 2]" 1
1388 1 82 VAL MG1 1 84 TYR QD . . 4.160 3.353 3.078 3.622 . 0 0 "[ . 1 . 2]" 1
1389 1 82 VAL MG1 1 84 TYR QE . . 3.540 2.587 2.220 2.989 . 0 0 "[ . 1 . 2]" 1
1390 1 82 VAL MG1 1 96 PRO HB2 . . 3.330 2.043 1.943 2.364 . 0 0 "[ . 1 . 2]" 1
1391 1 82 VAL MG1 1 96 PRO HB3 . . 2.990 2.456 2.231 2.662 . 0 0 "[ . 1 . 2]" 1
1392 1 82 VAL MG1 1 96 PRO QG . . 3.860 3.010 2.797 3.239 . 0 0 "[ . 1 . 2]" 1
1393 1 82 VAL MG1 1 97 PHE H . . 4.280 3.132 2.742 3.409 . 0 0 "[ . 1 . 2]" 1
1394 1 82 VAL MG2 1 83 ILE H . . 4.270 4.072 3.938 4.153 . 0 0 "[ . 1 . 2]" 1
1395 1 82 VAL MG2 1 98 THR HA . . 4.170 3.677 3.363 4.090 . 0 0 "[ . 1 . 2]" 1
1396 1 83 ILE H 1 83 ILE HB . . 3.460 2.543 2.498 2.592 . 0 0 "[ . 1 . 2]" 1
1397 1 83 ILE H 1 83 ILE MD . . 4.020 3.587 3.369 3.863 . 0 0 "[ . 1 . 2]" 1
1398 1 83 ILE H 1 83 ILE HG12 . . 4.350 3.951 3.796 4.076 . 0 0 "[ . 1 . 2]" 1
1399 1 83 ILE H 1 83 ILE HG13 . . 3.830 2.604 2.504 2.791 . 0 0 "[ . 1 . 2]" 1
1400 1 83 ILE H 1 83 ILE MG . . 4.170 3.807 3.781 3.827 . 0 0 "[ . 1 . 2]" 1
1401 1 83 ILE H 1 84 TYR H . . 4.620 4.426 4.360 4.533 . 0 0 "[ . 1 . 2]" 1
1402 1 83 ILE H 1 96 PRO HB2 . . 4.360 3.995 3.769 4.250 . 0 0 "[ . 1 . 2]" 1
1403 1 83 ILE H 1 97 PHE HB2 . . 4.400 3.026 2.719 3.259 . 0 0 "[ . 1 . 2]" 1
1404 1 83 ILE H 1 98 THR HA . . 4.690 4.606 4.321 4.696 0.006 7 0 "[ . 1 . 2]" 1
1405 1 83 ILE H 1 99 VAL MG2 . . 4.410 3.700 3.258 4.191 . 0 0 "[ . 1 . 2]" 1
1406 1 83 ILE HA 1 83 ILE MD . . 3.900 3.878 3.829 3.907 0.007 11 0 "[ . 1 . 2]" 1
1407 1 83 ILE HA 1 83 ILE HG12 . . 4.150 2.708 2.541 2.799 . 0 0 "[ . 1 . 2]" 1
1408 1 83 ILE HA 1 83 ILE MG . . 3.480 2.365 2.269 2.458 . 0 0 "[ . 1 . 2]" 1
1409 1 83 ILE HA 1 84 TYR H . . 2.890 2.151 2.140 2.209 . 0 0 "[ . 1 . 2]" 1
1410 1 83 ILE HA 1 97 PHE H . . 5.500 4.719 4.570 4.796 . 0 0 "[ . 1 . 2]" 1
1411 1 83 ILE HB 1 83 ILE MD . . 3.400 2.240 2.156 2.419 . 0 0 "[ . 1 . 2]" 1
1412 1 83 ILE HB 1 84 TYR H . . 4.270 4.195 3.994 4.269 . 0 0 "[ . 1 . 2]" 1
1413 1 83 ILE HB 1 85 VAL MG2 . . 4.070 3.726 3.554 3.951 . 0 0 "[ . 1 . 2]" 1
1414 1 83 ILE HB 1 97 PHE H . . 4.060 3.573 3.289 3.901 . 0 0 "[ . 1 . 2]" 1
1415 1 83 ILE HB 1 97 PHE HB2 . . 3.730 2.062 1.998 2.237 . 0 0 "[ . 1 . 2]" 1
1416 1 83 ILE HB 1 97 PHE HB3 . . 4.090 3.290 2.946 3.712 . 0 0 "[ . 1 . 2]" 1
1417 1 83 ILE HB 1 97 PHE QD . . 4.020 3.911 3.393 4.019 . 0 0 "[ . 1 . 2]" 1
1418 1 83 ILE HB 1 99 VAL MG2 . . 4.630 3.571 3.110 4.064 . 0 0 "[ . 1 . 2]" 1
1419 1 83 ILE MD 1 97 PHE HB2 . . 4.440 3.337 3.097 3.692 . 0 0 "[ . 1 . 2]" 1
1420 1 83 ILE MD 1 97 PHE HB3 . . 4.750 3.458 3.115 3.759 . 0 0 "[ . 1 . 2]" 1
1421 1 83 ILE MD 1 97 PHE QD . . 4.500 4.299 3.859 4.500 . 0 0 "[ . 1 . 2]" 1
1422 1 83 ILE MD 1 99 VAL HB . . 4.210 3.323 2.936 3.616 . 0 0 "[ . 1 . 2]" 1
1423 1 83 ILE MD 1 99 VAL MG2 . . 3.380 2.030 1.772 2.369 . 0 0 "[ . 1 . 2]" 1
1424 1 83 ILE HG12 1 83 ILE MG . . 3.340 2.214 2.071 2.372 . 0 0 "[ . 1 . 2]" 1
1425 1 83 ILE HG12 1 84 TYR H . . 4.580 4.482 4.294 4.572 . 0 0 "[ . 1 . 2]" 1
1426 1 83 ILE HG13 1 97 PHE HB2 . . 4.490 4.208 3.856 4.364 . 0 0 "[ . 1 . 2]" 1
1427 1 83 ILE HG13 1 97 PHE HB3 . . 5.470 4.932 4.593 5.271 . 0 0 "[ . 1 . 2]" 1
1428 1 83 ILE HG13 1 99 VAL MG2 . . 3.830 3.254 2.729 3.683 . 0 0 "[ . 1 . 2]" 1
1429 1 83 ILE MG 1 84 TYR H . . 3.720 2.508 2.005 2.768 . 0 0 "[ . 1 . 2]" 1
1430 1 83 ILE MG 1 85 VAL MG2 . . 3.060 2.167 1.899 2.368 . 0 0 "[ . 1 . 2]" 1
1431 1 83 ILE MG 1 97 PHE QD . . 4.170 4.022 3.634 4.169 . 0 0 "[ . 1 . 2]" 1
1432 1 84 TYR H 1 84 TYR HB2 . . 3.480 2.479 2.388 2.584 . 0 0 "[ . 1 . 2]" 1
1433 1 84 TYR H 1 84 TYR HB3 . . 3.760 3.665 3.623 3.738 . 0 0 "[ . 1 . 2]" 1
1434 1 84 TYR H 1 84 TYR QD . . 3.540 3.259 2.938 3.539 . 0 0 "[ . 1 . 2]" 1
1435 1 84 TYR HA 1 84 TYR QD . . 3.760 2.320 2.108 2.665 . 0 0 "[ . 1 . 2]" 1
1436 1 84 TYR HA 1 84 TYR QE . . 4.830 4.425 4.313 4.545 . 0 0 "[ . 1 . 2]" 1
1437 1 84 TYR HA 1 85 VAL H . . 3.130 2.144 2.138 2.165 . 0 0 "[ . 1 . 2]" 1
1438 1 84 TYR HA 1 85 VAL MG2 . . 3.880 3.598 3.349 3.873 . 0 0 "[ . 1 . 2]" 1
1439 1 84 TYR HA 1 96 PRO HB3 . . 4.930 3.928 3.706 4.298 . 0 0 "[ . 1 . 2]" 1
1440 1 84 TYR HA 1 97 PHE H . . 4.230 3.975 3.699 4.223 . 0 0 "[ . 1 . 2]" 1
1441 1 84 TYR HB2 1 85 VAL H . . 4.770 4.287 4.172 4.411 . 0 0 "[ . 1 . 2]" 1
1442 1 84 TYR HB3 1 85 VAL H . . 4.140 3.420 3.190 3.691 . 0 0 "[ . 1 . 2]" 1
1443 1 84 TYR QD 1 96 PRO HB2 . . 4.760 4.146 3.762 4.600 . 0 0 "[ . 1 . 2]" 1
1444 1 84 TYR QD 1 96 PRO HB3 . . 4.270 2.641 2.310 3.139 . 0 0 "[ . 1 . 2]" 1
1445 1 84 TYR QD 1 96 PRO QG . . 4.650 4.348 4.025 4.651 0.001 13 0 "[ . 1 . 2]" 1
1446 1 84 TYR QE 1 96 PRO HB2 . . 4.610 3.718 3.358 4.112 . 0 0 "[ . 1 . 2]" 1
1447 1 84 TYR QE 1 96 PRO HB3 . . 4.170 2.194 2.002 2.485 . 0 0 "[ . 1 . 2]" 1
1448 1 84 TYR QE 1 96 PRO QD . . 4.160 3.533 2.898 4.159 . 0 0 "[ . 1 . 2]" 1
1449 1 84 TYR QE 1 96 PRO QG . . 3.920 3.070 2.653 3.394 . 0 0 "[ . 1 . 2]" 1
1450 1 85 VAL H 1 85 VAL HB . . 3.950 2.743 2.530 2.876 . 0 0 "[ . 1 . 2]" 1
1451 1 85 VAL H 1 85 VAL MG1 . . 4.420 3.888 3.803 3.942 . 0 0 "[ . 1 . 2]" 1
1452 1 85 VAL H 1 85 VAL MG2 . . 3.870 2.715 2.368 2.999 . 0 0 "[ . 1 . 2]" 1
1453 1 85 VAL H 1 86 ARG H . . 4.660 4.378 4.258 4.460 . 0 0 "[ . 1 . 2]" 1
1454 1 85 VAL H 1 92 ILE HG12 . . 4.940 4.406 4.117 4.905 . 0 0 "[ . 1 . 2]" 1
1455 1 85 VAL H 1 92 ILE QG . . 4.350 3.982 3.853 4.141 . 0 0 "[ . 1 . 2]" 1
1456 1 85 VAL H 1 92 ILE HG13 . . 4.940 4.587 4.340 4.855 . 0 0 "[ . 1 . 2]" 1
1457 1 85 VAL H 1 95 SER HA . . 4.810 4.160 3.998 4.319 . 0 0 "[ . 1 . 2]" 1
1458 1 85 VAL H 1 95 SER HB2 . . 4.100 2.917 2.483 3.177 . 0 0 "[ . 1 . 2]" 1
1459 1 85 VAL H 1 95 SER HB3 . . 4.240 3.597 3.305 4.136 . 0 0 "[ . 1 . 2]" 1
1460 1 85 VAL H 1 96 PRO HA . . 4.240 3.810 3.673 4.065 . 0 0 "[ . 1 . 2]" 1
1461 1 85 VAL H 1 97 PHE QD . . 3.990 3.728 3.031 3.991 0.001 2 0 "[ . 1 . 2]" 1
1462 1 85 VAL HA 1 85 VAL MG1 . . 3.480 2.353 2.142 2.477 . 0 0 "[ . 1 . 2]" 1
1463 1 85 VAL HA 1 85 VAL MG2 . . 3.450 2.432 2.262 2.556 . 0 0 "[ . 1 . 2]" 1
1464 1 85 VAL HA 1 86 ARG H . . 2.980 2.184 2.142 2.235 . 0 0 "[ . 1 . 2]" 1
1465 1 85 VAL HA 1 86 ARG HA . . 4.520 4.425 4.395 4.453 . 0 0 "[ . 1 . 2]" 1
1466 1 85 VAL HA 1 86 ARG HB3 . . 4.690 4.266 4.150 4.490 . 0 0 "[ . 1 . 2]" 1
1467 1 85 VAL HB 1 86 ARG H . . 4.600 4.019 3.731 4.231 . 0 0 "[ . 1 . 2]" 1
1468 1 85 VAL HB 1 86 ARG HA . . 4.790 4.594 4.366 4.745 . 0 0 "[ . 1 . 2]" 1
1469 1 85 VAL HB 1 92 ILE H . . 4.960 4.650 4.194 4.932 . 0 0 "[ . 1 . 2]" 1
1470 1 85 VAL HB 1 92 ILE MD . . 3.790 1.998 1.868 2.347 . 0 0 "[ . 1 . 2]" 1
1471 1 85 VAL HB 1 92 ILE HG12 . . 4.050 3.080 2.682 3.368 . 0 0 "[ . 1 . 2]" 1
1472 1 85 VAL HB 1 92 ILE QG . . 3.500 2.886 2.559 3.057 . 0 0 "[ . 1 . 2]" 1
1473 1 85 VAL HB 1 92 ILE HG13 . . 4.050 3.507 3.163 3.704 . 0 0 "[ . 1 . 2]" 1
1474 1 85 VAL HB 1 95 SER HB2 . . 4.450 3.250 3.043 3.466 . 0 0 "[ . 1 . 2]" 1
1475 1 85 VAL HB 1 95 SER HB3 . . 5.010 4.761 4.427 5.010 . 0 0 "[ . 1 . 2]" 1
1476 1 85 VAL HB 1 97 PHE QD . . 4.570 3.944 3.482 4.414 . 0 0 "[ . 1 . 2]" 1
1477 1 85 VAL HB 1 97 PHE QE . . 4.050 2.792 2.008 3.549 . 0 0 "[ . 1 . 2]" 1
1478 1 85 VAL HB 1 97 PHE HZ . . 4.990 4.131 3.296 4.664 . 0 0 "[ . 1 . 2]" 1
1479 1 85 VAL MG1 1 86 ARG H . . 3.390 2.341 1.886 2.873 . 0 0 "[ . 1 . 2]" 1
1480 1 85 VAL MG2 1 86 ARG H . . 4.900 4.037 3.859 4.264 . 0 0 "[ . 1 . 2]" 1
1481 1 85 VAL MG2 1 97 PHE QD . . 3.700 3.228 2.558 3.693 . 0 0 "[ . 1 . 2]" 1
1482 1 85 VAL MG2 1 97 PHE QE . . 4.450 3.240 2.443 3.863 . 0 0 "[ . 1 . 2]" 1
1483 1 86 ARG H 1 86 ARG HB2 . . 4.090 3.773 3.459 3.958 . 0 0 "[ . 1 . 2]" 1
1484 1 86 ARG H 1 86 ARG QD . . 4.820 4.462 4.235 4.727 . 0 0 "[ . 1 . 2]" 1
1485 1 86 ARG H 1 86 ARG QG . . 3.830 3.007 2.212 3.792 . 0 0 "[ . 1 . 2]" 1
1486 1 86 ARG H 1 87 PHE H . . 4.580 4.382 4.298 4.412 . 0 0 "[ . 1 . 2]" 1
1487 1 86 ARG H 1 87 PHE HA . . 4.910 4.750 4.684 4.866 . 0 0 "[ . 1 . 2]" 1
1488 1 86 ARG HA 1 86 ARG HG2 . . 4.150 3.602 3.413 3.825 . 0 0 "[ . 1 . 2]" 1
1489 1 86 ARG HA 1 86 ARG HG3 . . 4.150 3.429 2.890 3.887 . 0 0 "[ . 1 . 2]" 1
1490 1 86 ARG HA 1 87 PHE H . . 2.970 2.323 2.177 2.530 . 0 0 "[ . 1 . 2]" 1
1491 1 86 ARG HA 1 87 PHE QB . . 5.340 3.973 3.923 4.025 . 0 0 "[ . 1 . 2]" 1
1492 1 86 ARG HA 1 90 VAL H . . 4.430 4.174 3.965 4.424 . 0 0 "[ . 1 . 2]" 1
1493 1 86 ARG HA 1 91 ASP HA . . 3.700 2.360 2.170 2.651 . 0 0 "[ . 1 . 2]" 1
1494 1 86 ARG HA 1 92 ILE H . . 3.820 2.568 2.122 3.088 . 0 0 "[ . 1 . 2]" 1
1495 1 86 ARG HA 1 92 ILE MG . . 4.030 3.573 3.008 4.036 0.006 15 0 "[ . 1 . 2]" 1
1496 1 86 ARG HB2 1 86 ARG HD2 . . 4.170 3.154 2.520 3.845 . 0 0 "[ . 1 . 2]" 1
1497 1 86 ARG HB2 1 86 ARG HD3 . . 4.170 3.110 2.623 3.783 . 0 0 "[ . 1 . 2]" 1
1498 1 86 ARG HB2 1 87 PHE H . . 4.060 3.038 2.194 3.853 . 0 0 "[ . 1 . 2]" 1
1499 1 86 ARG HB2 1 89 GLY H . . 5.050 4.253 3.466 5.055 0.005 11 0 "[ . 1 . 2]" 1
1500 1 86 ARG HB2 1 90 VAL H . . 4.350 3.351 2.421 4.352 0.002 9 0 "[ . 1 . 2]" 1
1501 1 86 ARG HB2 1 91 ASP HA . . 3.970 2.822 2.365 3.106 . 0 0 "[ . 1 . 2]" 1
1502 1 86 ARG HB3 1 86 ARG HD2 . . 4.010 3.072 2.278 3.603 . 0 0 "[ . 1 . 2]" 1
1503 1 86 ARG HB3 1 86 ARG HD3 . . 4.010 2.847 2.261 3.724 . 0 0 "[ . 1 . 2]" 1
1504 1 86 ARG HB3 1 87 PHE H . . 4.330 4.052 3.651 4.321 . 0 0 "[ . 1 . 2]" 1
1505 1 86 ARG HB3 1 89 GLY H . . 5.340 5.005 4.813 5.334 . 0 0 "[ . 1 . 2]" 1
1506 1 86 ARG HB3 1 89 GLY HA2 . . 5.310 4.998 4.716 5.303 . 0 0 "[ . 1 . 2]" 1
1507 1 86 ARG HB3 1 90 VAL H . . 5.110 4.661 4.149 5.103 . 0 0 "[ . 1 . 2]" 1
1508 1 86 ARG HB3 1 91 ASP HA . . 4.560 3.399 2.256 4.567 0.007 15 0 "[ . 1 . 2]" 1
1509 1 86 ARG QD 1 89 GLY HA2 . . 4.340 2.380 1.988 3.074 . 0 0 "[ . 1 . 2]" 1
1510 1 86 ARG QD 1 89 GLY HA3 . . 4.630 3.976 3.580 4.608 . 0 0 "[ . 1 . 2]" 1
1511 1 86 ARG QD 1 90 VAL H . . 4.490 3.771 2.740 4.464 . 0 0 "[ . 1 . 2]" 1
1512 1 86 ARG HD2 1 89 GLY HA2 . . 5.010 3.099 2.023 3.699 . 0 0 "[ . 1 . 2]" 1
1513 1 86 ARG HD2 1 89 GLY HA3 . . 5.500 4.827 3.684 5.422 . 0 0 "[ . 1 . 2]" 1
1514 1 86 ARG HD3 1 89 GLY HA2 . . 5.010 2.924 1.998 3.719 . 0 0 "[ . 1 . 2]" 1
1515 1 86 ARG HD3 1 89 GLY HA3 . . 5.500 4.626 3.643 5.475 . 0 0 "[ . 1 . 2]" 1
1516 1 86 ARG QG 1 90 VAL H . . 4.230 2.665 2.010 3.403 . 0 0 "[ . 1 . 2]" 1
1517 1 86 ARG HG2 1 87 PHE H . . 4.270 3.853 3.059 4.271 0.001 12 0 "[ . 1 . 2]" 1
1518 1 86 ARG HG2 1 90 VAL H . . 4.970 4.112 3.120 4.973 0.003 6 0 "[ . 1 . 2]" 1
1519 1 86 ARG HG3 1 87 PHE H . . 4.270 3.066 2.473 3.661 . 0 0 "[ . 1 . 2]" 1
1520 1 86 ARG HG3 1 90 VAL H . . 4.970 2.701 2.033 3.465 . 0 0 "[ . 1 . 2]" 1
1521 1 87 PHE H 1 87 PHE HB2 . . 3.810 3.167 2.969 3.336 . 0 0 "[ . 1 . 2]" 1
1522 1 87 PHE H 1 87 PHE QB . . 3.330 2.507 2.389 2.616 . 0 0 "[ . 1 . 2]" 1
1523 1 87 PHE H 1 87 PHE HB3 . . 3.810 2.635 2.470 2.811 . 0 0 "[ . 1 . 2]" 1
1524 1 87 PHE H 1 87 PHE QD . . 4.610 4.214 4.000 4.385 . 0 0 "[ . 1 . 2]" 1
1525 1 87 PHE H 1 88 GLY H . . 4.540 4.157 3.906 4.317 . 0 0 "[ . 1 . 2]" 1
1526 1 87 PHE H 1 89 GLY H . . 4.530 3.829 3.323 4.245 . 0 0 "[ . 1 . 2]" 1
1527 1 87 PHE H 1 90 VAL H . . 3.380 2.545 2.208 2.750 . 0 0 "[ . 1 . 2]" 1
1528 1 87 PHE H 1 90 VAL HA . . 5.000 4.463 4.188 4.627 . 0 0 "[ . 1 . 2]" 1
1529 1 87 PHE H 1 90 VAL HB . . 4.240 3.261 2.893 3.846 . 0 0 "[ . 1 . 2]" 1
1530 1 87 PHE H 1 91 ASP HA . . 4.110 3.730 3.432 4.098 . 0 0 "[ . 1 . 2]" 1
1531 1 87 PHE H 1 92 ILE H . . 4.470 3.682 3.430 4.149 . 0 0 "[ . 1 . 2]" 1
1532 1 87 PHE H 1 92 ILE MG . . 3.980 3.662 3.251 3.981 0.001 15 0 "[ . 1 . 2]" 1
1533 1 87 PHE HA 1 87 PHE QD . . 4.190 2.817 2.326 3.173 . 0 0 "[ . 1 . 2]" 1
1534 1 87 PHE HA 1 88 GLY H . . 3.100 2.151 2.142 2.193 . 0 0 "[ . 1 . 2]" 1
1535 1 87 PHE HA 1 88 GLY HA2 . . 4.840 4.384 4.380 4.400 . 0 0 "[ . 1 . 2]" 1
1536 1 87 PHE HA 1 88 GLY HA3 . . 4.840 4.372 4.338 4.398 . 0 0 "[ . 1 . 2]" 1
1537 1 87 PHE QB 1 90 VAL H . . 5.340 4.048 3.800 4.252 . 0 0 "[ . 1 . 2]" 1
1538 1 87 PHE HB2 1 88 GLY H . . 4.670 4.345 4.190 4.479 . 0 0 "[ . 1 . 2]" 1
1539 1 87 PHE HB2 1 92 ILE MG . . 3.640 3.329 3.023 3.616 . 0 0 "[ . 1 . 2]" 1
1540 1 87 PHE HB3 1 88 GLY H . . 4.670 4.380 4.255 4.459 . 0 0 "[ . 1 . 2]" 1
1541 1 87 PHE HB3 1 92 ILE MG . . 3.640 3.320 3.085 3.633 . 0 0 "[ . 1 . 2]" 1
1542 1 87 PHE QD 1 88 GLY H . . 4.310 3.793 3.362 4.010 . 0 0 "[ . 1 . 2]" 1
1543 1 87 PHE QD 1 92 ILE MG . . 4.630 4.502 4.350 4.630 0.000 8 0 "[ . 1 . 2]" 1
1544 1 88 GLY QA 1 90 VAL H . . 4.220 3.948 3.822 4.164 . 0 0 "[ . 1 . 2]" 1
1545 1 88 GLY HA2 1 90 VAL H . . 4.920 4.638 4.446 4.859 . 0 0 "[ . 1 . 2]" 1
1546 1 88 GLY HA3 1 90 VAL H . . 4.920 4.278 4.090 4.530 . 0 0 "[ . 1 . 2]" 1
1547 1 89 GLY H 1 90 VAL H . . 3.790 2.356 2.062 2.600 . 0 0 "[ . 1 . 2]" 1
1548 1 90 VAL H 1 90 VAL HB . . 3.100 2.771 2.648 2.889 . 0 0 "[ . 1 . 2]" 1
1549 1 90 VAL H 1 90 VAL MG1 . . 4.060 3.900 3.850 3.952 . 0 0 "[ . 1 . 2]" 1
1550 1 90 VAL H 1 90 VAL MG2 . . 3.180 2.815 2.535 3.003 . 0 0 "[ . 1 . 2]" 1
1551 1 90 VAL H 1 91 ASP H . . 4.440 4.086 3.914 4.312 . 0 0 "[ . 1 . 2]" 1
1552 1 90 VAL H 1 91 ASP HA . . 4.880 4.682 4.569 4.886 0.006 6 0 "[ . 1 . 2]" 1
1553 1 90 VAL HA 1 90 VAL MG1 . . 3.320 2.356 2.221 2.459 . 0 0 "[ . 1 . 2]" 1
1554 1 90 VAL HA 1 90 VAL MG2 . . 3.080 2.407 2.272 2.518 . 0 0 "[ . 1 . 2]" 1
1555 1 90 VAL HA 1 91 ASP H . . 2.900 2.155 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
1556 1 90 VAL HA 1 91 ASP HA . . 4.550 4.415 4.374 4.454 . 0 0 "[ . 1 . 2]" 1
1557 1 90 VAL HA 1 91 ASP HB2 . . 4.810 4.540 4.414 4.626 . 0 0 "[ . 1 . 2]" 1
1558 1 90 VAL HA 1 91 ASP HB3 . . 4.810 4.683 4.631 4.815 0.005 14 0 "[ . 1 . 2]" 1
1559 1 90 VAL HB 1 91 ASP H . . 4.470 4.315 4.137 4.417 . 0 0 "[ . 1 . 2]" 1
1560 1 90 VAL MG1 1 91 ASP H . . 3.400 2.936 2.673 3.198 . 0 0 "[ . 1 . 2]" 1
1561 1 90 VAL MG2 1 91 ASP H . . 4.230 4.173 3.961 4.242 0.012 15 0 "[ . 1 . 2]" 1
1562 1 91 ASP H 1 91 ASP HB2 . . 3.720 2.498 2.362 2.615 . 0 0 "[ . 1 . 2]" 1
1563 1 91 ASP H 1 91 ASP QB . . 3.140 2.260 2.227 2.293 . 0 0 "[ . 1 . 2]" 1
1564 1 91 ASP H 1 91 ASP HB3 . . 3.720 2.590 2.536 2.727 . 0 0 "[ . 1 . 2]" 1
1565 1 91 ASP H 1 92 ILE H . . 4.750 4.336 4.149 4.517 . 0 0 "[ . 1 . 2]" 1
1566 1 91 ASP HA 1 92 ILE H . . 3.170 2.170 2.141 2.230 . 0 0 "[ . 1 . 2]" 1
1567 1 91 ASP HB2 1 92 ILE H . . 4.680 4.476 4.342 4.557 . 0 0 "[ . 1 . 2]" 1
1568 1 91 ASP HB2 1 95 SER HB2 . . 5.500 5.499 5.437 5.526 0.026 18 0 "[ . 1 . 2]" 1
1569 1 91 ASP HB2 1 95 SER HB3 . . 4.600 4.471 4.325 4.567 . 0 0 "[ . 1 . 2]" 1
1570 1 91 ASP HB3 1 92 ILE H . . 4.680 4.353 4.172 4.445 . 0 0 "[ . 1 . 2]" 1
1571 1 91 ASP HB3 1 95 SER HB2 . . 5.500 5.462 5.302 5.534 0.034 12 0 "[ . 1 . 2]" 1
1572 1 91 ASP HB3 1 95 SER HB3 . . 4.600 4.306 3.812 4.487 . 0 0 "[ . 1 . 2]" 1
1573 1 92 ILE H 1 92 ILE MD . . 4.070 3.488 3.223 3.611 . 0 0 "[ . 1 . 2]" 1
1574 1 92 ILE H 1 92 ILE HG12 . . 3.570 1.900 1.863 1.957 . 0 0 "[ . 1 . 2]" 1
1575 1 92 ILE H 1 92 ILE HG13 . . 3.570 2.920 2.279 3.384 . 0 0 "[ . 1 . 2]" 1
1576 1 92 ILE H 1 92 ILE MG . . 3.250 2.498 2.289 2.771 . 0 0 "[ . 1 . 2]" 1
1577 1 92 ILE H 1 95 SER H . . 4.640 4.576 4.262 4.674 0.034 9 0 "[ . 1 . 2]" 1
1578 1 92 ILE H 1 95 SER HB2 . . 4.070 3.832 3.561 4.108 0.038 8 0 "[ . 1 . 2]" 1
1579 1 92 ILE H 1 95 SER HB3 . . 4.440 4.243 3.534 4.458 0.018 12 0 "[ . 1 . 2]" 1
1580 1 92 ILE HA 1 92 ILE MD . . 4.520 4.155 4.109 4.180 . 0 0 "[ . 1 . 2]" 1
1581 1 92 ILE HA 1 92 ILE MG . . 3.540 2.150 2.017 2.259 . 0 0 "[ . 1 . 2]" 1
1582 1 92 ILE HA 1 93 PRO QB . . 5.100 4.578 4.568 4.598 . 0 0 "[ . 1 . 2]" 1
1583 1 92 ILE HA 1 93 PRO HD2 . . 3.520 2.441 2.402 2.515 . 0 0 "[ . 1 . 2]" 1
1584 1 92 ILE HA 1 93 PRO HD3 . . 3.940 2.317 2.300 2.351 . 0 0 "[ . 1 . 2]" 1
1585 1 92 ILE HA 1 93 PRO QG . . 5.110 4.028 4.003 4.076 . 0 0 "[ . 1 . 2]" 1
1586 1 92 ILE HB 1 92 ILE MD . . 3.380 2.415 2.287 2.584 . 0 0 "[ . 1 . 2]" 1
1587 1 92 ILE HB 1 93 PRO HD2 . . 3.690 1.993 1.985 2.002 . 0 0 "[ . 1 . 2]" 1
1588 1 92 ILE HB 1 93 PRO HD3 . . 3.830 3.443 3.435 3.448 . 0 0 "[ . 1 . 2]" 1
1589 1 92 ILE HB 1 94 ASN H . . 3.970 2.344 2.216 2.449 . 0 0 "[ . 1 . 2]" 1
1590 1 92 ILE HB 1 94 ASN HD21 . . 5.500 3.613 2.306 5.483 . 0 0 "[ . 1 . 2]" 1
1591 1 92 ILE HB 1 94 ASN QD . . 4.720 3.402 2.281 4.725 0.005 8 0 "[ . 1 . 2]" 1
1592 1 92 ILE HB 1 94 ASN HD22 . . 5.500 4.747 3.624 5.160 . 0 0 "[ . 1 . 2]" 1
1593 1 92 ILE HB 1 95 SER H . . 4.900 3.779 3.432 3.973 . 0 0 "[ . 1 . 2]" 1
1594 1 92 ILE MD 1 92 ILE MG . . 2.980 2.032 1.878 2.229 . 0 0 "[ . 1 . 2]" 1
1595 1 92 ILE MD 1 95 SER H . . 4.750 3.622 3.045 3.922 . 0 0 "[ . 1 . 2]" 1
1596 1 92 ILE MD 1 95 SER HB2 . . 3.980 3.091 2.969 3.380 . 0 0 "[ . 1 . 2]" 1
1597 1 92 ILE MD 1 95 SER HB3 . . 4.780 4.462 3.964 4.582 . 0 0 "[ . 1 . 2]" 1
1598 1 92 ILE MD 1 97 PHE QE . . 3.760 1.950 1.808 2.064 . 0 0 "[ . 1 . 2]" 1
1599 1 92 ILE MD 1 97 PHE HZ . . 3.890 2.150 1.817 2.724 . 0 0 "[ . 1 . 2]" 1
1600 1 92 ILE QG 1 92 ILE MG . . 3.270 2.308 2.129 2.461 . 0 0 "[ . 1 . 2]" 1
1601 1 92 ILE QG 1 93 PRO HD2 . . 4.200 3.954 3.854 4.027 . 0 0 "[ . 1 . 2]" 1
1602 1 92 ILE QG 1 93 PRO HD3 . . 5.190 4.825 4.763 4.869 . 0 0 "[ . 1 . 2]" 1
1603 1 92 ILE QG 1 95 SER H . . 3.800 2.396 2.115 2.671 . 0 0 "[ . 1 . 2]" 1
1604 1 92 ILE QG 1 97 PHE QD . . 5.330 4.420 4.041 4.754 . 0 0 "[ . 1 . 2]" 1
1605 1 92 ILE QG 1 97 PHE HZ . . 4.680 3.760 2.985 4.364 . 0 0 "[ . 1 . 2]" 1
1606 1 92 ILE HG12 1 92 ILE MG . . 3.750 2.372 2.163 2.565 . 0 0 "[ . 1 . 2]" 1
1607 1 92 ILE HG12 1 93 PRO HD2 . . 4.780 4.743 4.667 4.779 . 0 0 "[ . 1 . 2]" 1
1608 1 92 ILE HG12 1 95 SER H . . 4.440 3.974 3.472 4.443 0.003 4 0 "[ . 1 . 2]" 1
1609 1 92 ILE HG12 1 95 SER HB2 . . 4.380 2.950 2.401 3.943 . 0 0 "[ . 1 . 2]" 1
1610 1 92 ILE HG12 1 95 SER HB3 . . 4.690 4.067 3.411 4.694 0.004 19 0 "[ . 1 . 2]" 1
1611 1 92 ILE HG12 1 97 PHE HZ . . 5.500 4.806 4.158 5.484 . 0 0 "[ . 1 . 2]" 1
1612 1 92 ILE HG13 1 92 ILE MG . . 3.750 3.185 3.166 3.201 . 0 0 "[ . 1 . 2]" 1
1613 1 92 ILE HG13 1 93 PRO HD2 . . 4.780 4.235 4.085 4.382 . 0 0 "[ . 1 . 2]" 1
1614 1 92 ILE HG13 1 95 SER H . . 4.440 2.416 2.130 2.693 . 0 0 "[ . 1 . 2]" 1
1615 1 92 ILE HG13 1 95 SER HB2 . . 4.380 2.216 1.997 2.709 . 0 0 "[ . 1 . 2]" 1
1616 1 92 ILE HG13 1 95 SER HB3 . . 4.690 3.416 2.625 3.760 . 0 0 "[ . 1 . 2]" 1
1617 1 92 ILE HG13 1 97 PHE HZ . . 5.500 3.945 3.059 4.583 . 0 0 "[ . 1 . 2]" 1
1618 1 92 ILE MG 1 93 PRO HD2 . . 4.200 2.627 2.248 2.861 . 0 0 "[ . 1 . 2]" 1
1619 1 92 ILE MG 1 93 PRO HD3 . . 4.060 3.400 2.970 3.587 . 0 0 "[ . 1 . 2]" 1
1620 1 93 PRO HA 1 94 ASN H . . 3.400 3.292 3.283 3.322 . 0 0 "[ . 1 . 2]" 1
1621 1 93 PRO HA 1 94 ASN HA . . 4.600 4.582 4.564 4.607 0.007 3 0 "[ . 1 . 2]" 1
1622 1 93 PRO HA 1 95 SER H . . 4.360 3.902 3.724 4.333 . 0 0 "[ . 1 . 2]" 1
1623 1 93 PRO QB 1 94 ASN H . . 4.110 3.729 3.689 3.738 . 0 0 "[ . 1 . 2]" 1
1624 1 93 PRO QB 1 94 ASN QD . . 4.760 3.806 3.139 4.419 . 0 0 "[ . 1 . 2]" 1
1625 1 93 PRO QG 1 94 ASN H . . 4.900 3.293 3.201 3.314 . 0 0 "[ . 1 . 2]" 1
1626 1 93 PRO QG 1 94 ASN QD . . 4.750 2.650 1.947 3.229 . 0 0 "[ . 1 . 2]" 1
1627 1 94 ASN H 1 94 ASN QD . . 3.790 2.975 1.824 3.704 . 0 0 "[ . 1 . 2]" 1
1628 1 94 ASN H 1 95 SER H . . 3.650 2.107 2.057 2.153 . 0 0 "[ . 1 . 2]" 1
1629 1 94 ASN HA 1 94 ASN QD . . 4.120 3.110 2.030 3.736 . 0 0 "[ . 1 . 2]" 1
1630 1 94 ASN HA 1 94 ASN HD22 . . 4.950 4.026 3.601 4.349 . 0 0 "[ . 1 . 2]" 1
1631 1 94 ASN QB 1 94 ASN QD . . 3.060 2.275 2.068 2.550 . 0 0 "[ . 1 . 2]" 1
1632 1 94 ASN QB 1 95 SER H . . 3.790 3.170 2.764 3.341 . 0 0 "[ . 1 . 2]" 1
1633 1 94 ASN QB 1 95 SER HA . . 4.270 4.051 3.896 4.117 . 0 0 "[ . 1 . 2]" 1
1634 1 94 ASN QB 1 95 SER HB2 . . 5.180 4.230 4.037 4.659 . 0 0 "[ . 1 . 2]" 1
1635 1 94 ASN QB 1 97 PHE QD . . 4.200 3.812 3.627 4.206 0.006 15 0 "[ . 1 . 2]" 1
1636 1 94 ASN QB 1 97 PHE QE . . 3.540 2.557 1.966 3.138 . 0 0 "[ . 1 . 2]" 1
1637 1 94 ASN QB 1 97 PHE HZ . . 3.890 2.220 1.934 2.758 . 0 0 "[ . 1 . 2]" 1
1638 1 94 ASN HB2 1 95 SER HA . . 4.970 4.650 4.179 4.878 . 0 0 "[ . 1 . 2]" 1
1639 1 94 ASN HB2 1 97 PHE QE . . 4.070 2.868 1.984 3.715 . 0 0 "[ . 1 . 2]" 1
1640 1 94 ASN HB2 1 97 PHE HZ . . 4.470 2.398 1.998 3.111 . 0 0 "[ . 1 . 2]" 1
1641 1 94 ASN HB3 1 95 SER HA . . 4.970 4.518 4.172 4.964 . 0 0 "[ . 1 . 2]" 1
1642 1 94 ASN HB3 1 97 PHE QE . . 4.070 3.020 2.514 3.804 . 0 0 "[ . 1 . 2]" 1
1643 1 94 ASN HB3 1 97 PHE HZ . . 4.470 2.725 2.265 3.778 . 0 0 "[ . 1 . 2]" 1
1644 1 95 SER H 1 95 SER HB2 . . 3.500 2.499 2.271 3.047 . 0 0 "[ . 1 . 2]" 1
1645 1 95 SER H 1 95 SER HB3 . . 3.190 2.801 2.253 2.916 . 0 0 "[ . 1 . 2]" 1
1646 1 95 SER H 1 96 PRO HA . . 5.020 4.795 4.755 4.806 . 0 0 "[ . 1 . 2]" 1
1647 1 95 SER H 1 97 PHE QD . . 5.040 4.409 4.157 4.901 . 0 0 "[ . 1 . 2]" 1
1648 1 95 SER H 1 97 PHE HZ . . 5.500 4.849 4.232 5.517 0.017 8 0 "[ . 1 . 2]" 1
1649 1 95 SER HA 1 96 PRO HA . . 3.560 2.235 2.215 2.314 . 0 0 "[ . 1 . 2]" 1
1650 1 95 SER HA 1 97 PHE H . . 3.820 3.428 3.211 3.633 . 0 0 "[ . 1 . 2]" 1
1651 1 95 SER HA 1 97 PHE HA . . 4.400 3.743 3.652 3.841 . 0 0 "[ . 1 . 2]" 1
1652 1 95 SER HA 1 97 PHE QD . . 3.970 2.140 1.987 2.703 . 0 0 "[ . 1 . 2]" 1
1653 1 95 SER HA 1 97 PHE QE . . 4.690 2.958 2.616 3.329 . 0 0 "[ . 1 . 2]" 1
1654 1 95 SER HB2 1 96 PRO HA . . 4.680 3.707 3.008 3.810 . 0 0 "[ . 1 . 2]" 1
1655 1 95 SER HB2 1 97 PHE QD . . 3.780 3.426 2.942 3.637 . 0 0 "[ . 1 . 2]" 1
1656 1 95 SER HB2 1 97 PHE QE . . 4.330 2.577 2.099 3.168 . 0 0 "[ . 1 . 2]" 1
1657 1 95 SER HB3 1 96 PRO HA . . 5.020 3.472 3.346 3.822 . 0 0 "[ . 1 . 2]" 1
1658 1 95 SER HB3 1 97 PHE QD . . 4.570 4.428 4.314 4.569 . 0 0 "[ . 1 . 2]" 1
1659 1 96 PRO HA 1 97 PHE H . . 3.140 2.481 2.377 2.576 . 0 0 "[ . 1 . 2]" 1
1660 1 96 PRO HB2 1 97 PHE H . . 3.990 2.420 2.205 2.673 . 0 0 "[ . 1 . 2]" 1
1661 1 96 PRO HB3 1 97 PHE H . . 4.080 3.360 3.262 3.484 . 0 0 "[ . 1 . 2]" 1
1662 1 96 PRO QG 1 97 PHE H . . 4.950 4.027 3.864 4.206 . 0 0 "[ . 1 . 2]" 1
1663 1 97 PHE H 1 97 PHE HB2 . . 3.670 2.418 2.353 2.553 . 0 0 "[ . 1 . 2]" 1
1664 1 97 PHE H 1 97 PHE HB3 . . 3.980 3.626 3.549 3.727 . 0 0 "[ . 1 . 2]" 1
1665 1 97 PHE H 1 97 PHE QD . . 3.380 2.723 2.463 2.972 . 0 0 "[ . 1 . 2]" 1
1666 1 97 PHE H 1 98 THR H . . 4.580 4.149 4.019 4.336 . 0 0 "[ . 1 . 2]" 1
1667 1 97 PHE HA 1 97 PHE QD . . 4.060 3.003 2.733 3.124 . 0 0 "[ . 1 . 2]" 1
1668 1 97 PHE HA 1 98 THR H . . 2.770 2.166 2.137 2.186 . 0 0 "[ . 1 . 2]" 1
1669 1 97 PHE HA 1 98 THR HB . . 4.910 4.654 4.608 4.736 . 0 0 "[ . 1 . 2]" 1
1670 1 97 PHE HB2 1 98 THR H . . 4.770 4.512 4.366 4.582 . 0 0 "[ . 1 . 2]" 1
1671 1 97 PHE HB2 1 99 VAL MG2 . . 4.370 3.572 3.349 3.944 . 0 0 "[ . 1 . 2]" 1
1672 1 97 PHE HB3 1 98 THR H . . 3.870 3.766 3.484 3.881 0.011 8 0 "[ . 1 . 2]" 1
1673 1 97 PHE HB3 1 99 VAL MG2 . . 4.260 2.796 2.650 2.971 . 0 0 "[ . 1 . 2]" 1
1674 1 97 PHE QD 1 98 THR H . . 4.790 4.604 4.443 4.698 . 0 0 "[ . 1 . 2]" 1
1675 1 98 THR H 1 98 THR HB . . 3.140 2.555 2.487 2.652 . 0 0 "[ . 1 . 2]" 1
1676 1 98 THR H 1 98 THR MG . . 3.930 3.769 3.762 3.778 . 0 0 "[ . 1 . 2]" 1
1677 1 98 THR H 1 99 VAL H . . 4.560 4.409 4.300 4.565 0.005 14 0 "[ . 1 . 2]" 1
1678 1 98 THR HA 1 98 THR MG . . 3.410 2.353 2.238 2.462 . 0 0 "[ . 1 . 2]" 1
1679 1 98 THR HA 1 99 VAL H . . 2.950 2.154 2.142 2.174 . 0 0 "[ . 1 . 2]" 1
1680 1 98 THR HA 1 99 VAL HB . . 4.880 4.682 4.551 4.858 . 0 0 "[ . 1 . 2]" 1
1681 1 98 THR HA 1 99 VAL MG2 . . 4.700 3.807 3.573 3.940 . 0 0 "[ . 1 . 2]" 1
1682 1 98 THR HB 1 99 VAL H . . 4.470 4.324 4.077 4.414 . 0 0 "[ . 1 . 2]" 1
1683 1 98 THR MG 1 99 VAL H . . 3.380 2.880 2.271 3.152 . 0 0 "[ . 1 . 2]" 1
1684 1 98 THR MG 1 99 VAL HA . . 4.410 3.700 3.456 3.898 . 0 0 "[ . 1 . 2]" 1
1685 1 99 VAL H 1 99 VAL HB . . 3.470 2.697 2.580 2.877 . 0 0 "[ . 1 . 2]" 1
1686 1 99 VAL H 1 99 VAL MG1 . . 4.160 3.870 3.817 3.931 . 0 0 "[ . 1 . 2]" 1
1687 1 99 VAL H 1 99 VAL MG2 . . 3.450 2.842 2.535 3.021 . 0 0 "[ . 1 . 2]" 1
1688 1 99 VAL H 1 100 MET H . . 4.620 4.210 3.893 4.451 . 0 0 "[ . 1 . 2]" 1
1689 1 99 VAL HA 1 99 VAL MG1 . . 3.310 2.368 2.199 2.450 . 0 0 "[ . 1 . 2]" 1
1690 1 99 VAL HA 1 99 VAL MG2 . . 3.220 2.364 2.276 2.532 . 0 0 "[ . 1 . 2]" 1
1691 1 99 VAL HA 1 100 MET H . . 2.750 2.152 2.141 2.209 . 0 0 "[ . 1 . 2]" 1
1692 1 99 VAL HA 1 100 MET HA . . 4.860 4.397 4.381 4.418 . 0 0 "[ . 1 . 2]" 1
1693 1 99 VAL HA 1 100 MET HB2 . . 5.020 4.509 4.333 4.808 . 0 0 "[ . 1 . 2]" 1
1694 1 99 VAL HA 1 100 MET QB . . 4.260 4.086 3.997 4.139 . 0 0 "[ . 1 . 2]" 1
1695 1 99 VAL HA 1 100 MET HB3 . . 5.020 4.700 4.473 4.941 . 0 0 "[ . 1 . 2]" 1
1696 1 99 VAL HB 1 100 MET H . . 4.510 4.275 3.980 4.397 . 0 0 "[ . 1 . 2]" 1
1697 1 99 VAL MG1 1 100 MET H . . 3.400 2.675 2.148 3.003 . 0 0 "[ . 1 . 2]" 1
1698 1 99 VAL MG1 1 101 ALA HA . . 4.510 3.962 3.827 4.214 . 0 0 "[ . 1 . 2]" 1
1699 1 99 VAL MG2 1 100 MET H . . 4.280 4.098 3.932 4.257 . 0 0 "[ . 1 . 2]" 1
1700 1 100 MET H 1 100 MET HB2 . . 3.300 2.743 2.439 3.043 . 0 0 "[ . 1 . 2]" 1
1701 1 100 MET H 1 100 MET HB3 . . 3.300 2.593 2.348 2.785 . 0 0 "[ . 1 . 2]" 1
1702 1 100 MET H 1 100 MET HG2 . . 4.800 4.614 4.271 4.800 . 0 0 "[ . 1 . 2]" 1
1703 1 100 MET H 1 100 MET QG . . 4.180 4.049 3.904 4.147 . 0 0 "[ . 1 . 2]" 1
1704 1 100 MET H 1 100 MET HG3 . . 4.800 4.495 4.326 4.607 . 0 0 "[ . 1 . 2]" 1
1705 1 100 MET H 1 101 ALA H . . 4.770 4.358 4.209 4.492 . 0 0 "[ . 1 . 2]" 1
1706 1 100 MET HA 1 101 ALA H . . 2.940 2.146 2.140 2.170 . 0 0 "[ . 1 . 2]" 1
1707 1 100 MET HA 1 101 ALA MB . . 4.200 3.966 3.918 4.008 . 0 0 "[ . 1 . 2]" 1
1708 1 100 MET QB 1 101 ALA H . . 4.130 3.840 3.729 3.951 . 0 0 "[ . 1 . 2]" 1
1709 1 100 MET HB2 1 101 ALA H . . 4.710 4.385 4.210 4.479 . 0 0 "[ . 1 . 2]" 1
1710 1 100 MET HB3 1 101 ALA H . . 4.710 4.252 4.025 4.430 . 0 0 "[ . 1 . 2]" 1
1711 1 100 MET ME 1 101 ALA H . . 5.210 4.479 3.512 5.143 . 0 0 "[ . 1 . 2]" 1
1712 1 100 MET QG 1 101 ALA H . . 4.150 3.052 2.718 3.480 . 0 0 "[ . 1 . 2]" 1
1713 1 100 MET HG2 1 101 ALA H . . 4.940 4.317 2.939 4.918 . 0 0 "[ . 1 . 2]" 1
1714 1 100 MET HG2 1 102 THR MG . . 4.070 3.144 2.437 3.841 . 0 0 "[ . 1 . 2]" 1
1715 1 100 MET HG3 1 101 ALA H . . 4.940 3.177 2.901 3.559 . 0 0 "[ . 1 . 2]" 1
1716 1 100 MET HG3 1 102 THR MG . . 4.070 3.249 2.412 4.063 . 0 0 "[ . 1 . 2]" 1
1717 1 101 ALA H 1 101 ALA MB . . 3.320 2.221 2.118 2.333 . 0 0 "[ . 1 . 2]" 1
1718 1 101 ALA H 1 102 THR H . . 4.730 4.396 4.233 4.534 . 0 0 "[ . 1 . 2]" 1
1719 1 101 ALA HA 1 102 THR H . . 2.800 2.151 2.140 2.183 . 0 0 "[ . 1 . 2]" 1
1720 1 101 ALA HA 1 102 THR HA . . 4.910 4.402 4.386 4.441 . 0 0 "[ . 1 . 2]" 1
1721 1 101 ALA HA 1 102 THR MG . . 4.190 3.973 3.508 4.187 . 0 0 "[ . 1 . 2]" 1
1722 1 101 ALA MB 1 102 THR H . . 3.630 3.255 3.030 3.484 . 0 0 "[ . 1 . 2]" 1
1723 1 102 THR H 1 102 THR HB . . 4.080 3.678 3.400 3.809 . 0 0 "[ . 1 . 2]" 1
1724 1 102 THR H 1 102 THR MG . . 3.480 2.838 1.877 3.138 . 0 0 "[ . 1 . 2]" 1
1725 1 102 THR H 1 103 ASP H . . 4.660 4.515 4.422 4.595 . 0 0 "[ . 1 . 2]" 1
1726 1 102 THR HA 1 102 THR MG . . 3.660 2.317 2.189 3.165 . 0 0 "[ . 1 . 2]" 1
1727 1 102 THR HA 1 103 ASP H . . 3.160 2.247 2.194 2.339 . 0 0 "[ . 1 . 2]" 1
1728 1 102 THR HA 1 104 GLY H . . 4.040 3.948 3.692 4.040 . 0 0 "[ . 1 . 2]" 1
1729 1 102 THR HB 1 103 ASP H . . 3.710 2.883 2.618 3.645 . 0 0 "[ . 1 . 2]" 1
1730 1 102 THR HB 1 104 GLY H . . 4.540 2.608 2.387 4.301 . 0 0 "[ . 1 . 2]" 1
1731 1 102 THR MG 1 103 ASP H . . 4.320 3.734 3.579 3.930 . 0 0 "[ . 1 . 2]" 1
1732 1 102 THR MG 1 104 GLY H . . 4.180 4.119 3.873 4.177 . 0 0 "[ . 1 . 2]" 1
1733 1 103 ASP H 1 103 ASP HB2 . . 3.920 3.159 2.253 3.613 . 0 0 "[ . 1 . 2]" 1
1734 1 103 ASP H 1 103 ASP QB . . 3.360 2.446 2.174 2.719 . 0 0 "[ . 1 . 2]" 1
1735 1 103 ASP H 1 103 ASP HB3 . . 3.920 2.755 2.286 3.612 . 0 0 "[ . 1 . 2]" 1
1736 1 103 ASP H 1 104 GLY H . . 3.680 2.563 2.092 2.777 . 0 0 "[ . 1 . 2]" 1
1737 1 103 ASP HB2 1 104 GLY H . . 4.330 3.812 3.026 4.323 . 0 0 "[ . 1 . 2]" 1
1738 1 103 ASP HB3 1 104 GLY H . . 4.330 3.782 2.852 4.311 . 0 0 "[ . 1 . 2]" 1
1739 1 104 GLY HA2 1 105 GLU H . . 3.340 2.760 2.140 3.333 . 0 0 "[ . 1 . 2]" 1
1740 1 104 GLY HA3 1 105 GLU H . . 3.340 2.469 2.140 3.243 . 0 0 "[ . 1 . 2]" 1
1741 1 105 GLU H 1 105 GLU HB2 . . 3.700 3.258 2.296 3.703 0.003 10 0 "[ . 1 . 2]" 1
1742 1 105 GLU H 1 105 GLU QB . . 3.060 2.528 2.270 2.821 . 0 0 "[ . 1 . 2]" 1
1743 1 105 GLU H 1 105 GLU HB3 . . 3.700 2.934 2.366 3.689 . 0 0 "[ . 1 . 2]" 1
1744 1 105 GLU H 1 105 GLU HG2 . . 4.090 2.568 1.928 4.025 . 0 0 "[ . 1 . 2]" 1
1745 1 105 GLU H 1 105 GLU HG3 . . 4.090 3.076 2.047 3.766 . 0 0 "[ . 1 . 2]" 1
1746 1 105 GLU HA 1 105 GLU HG2 . . 3.960 3.444 2.233 3.942 . 0 0 "[ . 1 . 2]" 1
1747 1 105 GLU HA 1 105 GLU QG . . 3.460 3.058 2.190 3.340 . 0 0 "[ . 1 . 2]" 1
1748 1 105 GLU HA 1 105 GLU HG3 . . 3.960 3.525 2.462 3.870 . 0 0 "[ . 1 . 2]" 1
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