NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
413876 |
2cqb   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cqb
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 1507
_Distance_constraint_stats_list.Viol_count 239
_Distance_constraint_stats_list.Viol_total 75.704
_Distance_constraint_stats_list.Viol_max 0.157
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0158
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.144 0.130 17 0 "[ . 1 . 2]"
1 12 LYS 0.081 0.060 16 0 "[ . 1 . 2]"
1 13 ARG 0.016 0.013 16 0 "[ . 1 . 2]"
1 14 VAL 0.038 0.012 16 0 "[ . 1 . 2]"
1 15 LEU 0.033 0.009 2 0 "[ . 1 . 2]"
1 16 TYR 0.005 0.003 2 0 "[ . 1 . 2]"
1 17 VAL 0.003 0.002 14 0 "[ . 1 . 2]"
1 18 GLY 0.008 0.007 16 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.001 0.001 10 0 "[ . 1 . 2]"
1 21 ALA 0.290 0.110 12 0 "[ . 1 . 2]"
1 22 GLU 0.294 0.110 12 0 "[ . 1 . 2]"
1 23 GLU 0.145 0.038 9 0 "[ . 1 . 2]"
1 24 VAL 0.100 0.021 20 0 "[ . 1 . 2]"
1 25 ASP 0.392 0.157 14 0 "[ . 1 . 2]"
1 26 ASP 0.391 0.157 14 0 "[ . 1 . 2]"
1 27 LYS 0.228 0.036 6 0 "[ . 1 . 2]"
1 28 VAL 0.024 0.015 7 0 "[ . 1 . 2]"
1 29 LEU 0.017 0.012 20 0 "[ . 1 . 2]"
1 30 HIS 0.005 0.005 8 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PHE 0.013 0.004 14 0 "[ . 1 . 2]"
1 34 ILE 0.004 0.004 8 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.011 0.006 6 0 "[ . 1 . 2]"
1 37 GLY 0.051 0.044 8 0 "[ . 1 . 2]"
1 38 ASP 0.089 0.044 8 0 "[ . 1 . 2]"
1 39 ILE 0.010 0.004 8 0 "[ . 1 . 2]"
1 40 THR 0.063 0.038 8 0 "[ . 1 . 2]"
1 41 ASP 0.087 0.024 2 0 "[ . 1 . 2]"
1 42 ILE 0.101 0.024 2 0 "[ . 1 . 2]"
1 43 GLN 0.116 0.063 12 0 "[ . 1 . 2]"
1 44 ILE 0.043 0.025 12 0 "[ . 1 . 2]"
1 45 PRO 0.026 0.011 17 0 "[ . 1 . 2]"
1 46 LEU 0.011 0.005 20 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TYR 0.005 0.005 12 0 "[ . 1 . 2]"
1 49 GLU 0.088 0.033 12 0 "[ . 1 . 2]"
1 50 THR 0.044 0.025 12 0 "[ . 1 . 2]"
1 51 GLU 0.015 0.006 13 0 "[ . 1 . 2]"
1 52 LYS 0.079 0.018 4 0 "[ . 1 . 2]"
1 53 HIS 0.001 0.001 5 0 "[ . 1 . 2]"
1 54 ARG 0.093 0.092 7 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PHE 0.016 0.007 2 0 "[ . 1 . 2]"
1 57 ALA 0.015 0.007 2 0 "[ . 1 . 2]"
1 58 PHE 0.001 0.001 9 0 "[ . 1 . 2]"
1 59 VAL 0.006 0.004 12 0 "[ . 1 . 2]"
1 60 GLU 0.072 0.023 11 0 "[ . 1 . 2]"
1 61 PHE 0.085 0.023 11 0 "[ . 1 . 2]"
1 62 GLU 0.119 0.025 15 0 "[ . 1 . 2]"
1 63 LEU 0.036 0.008 8 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.015 0.008 8 0 "[ . 1 . 2]"
1 66 ASP 0.003 0.003 6 0 "[ . 1 . 2]"
1 67 ALA 0.003 0.003 6 0 "[ . 1 . 2]"
1 68 ALA 0.002 0.001 16 0 "[ . 1 . 2]"
1 69 ALA 0.003 0.003 8 0 "[ . 1 . 2]"
1 70 ALA 0.013 0.005 20 0 "[ . 1 . 2]"
1 71 ILE 0.011 0.005 4 0 "[ . 1 . 2]"
1 72 ASP 0.001 0.001 7 0 "[ . 1 . 2]"
1 73 ASN 0.008 0.006 20 0 "[ . 1 . 2]"
1 74 MET 0.005 0.003 12 0 "[ . 1 . 2]"
1 75 ASN 0.006 0.003 20 0 "[ . 1 . 2]"
1 76 GLU 0.021 0.006 20 0 "[ . 1 . 2]"
1 77 SER 0.037 0.018 2 0 "[ . 1 . 2]"
1 78 GLU 0.054 0.035 20 0 "[ . 1 . 2]"
1 79 LEU 0.033 0.013 19 0 "[ . 1 . 2]"
1 80 PHE 0.015 0.014 20 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.307 0.083 19 0 "[ . 1 . 2]"
1 83 THR 0.073 0.023 17 0 "[ . 1 . 2]"
1 84 ILE 0.005 0.005 17 0 "[ . 1 . 2]"
1 85 ARG 0.029 0.007 16 0 "[ . 1 . 2]"
1 86 VAL 0.006 0.005 4 0 "[ . 1 . 2]"
1 87 ASN 0.015 0.005 11 0 "[ . 1 . 2]"
1 88 LEU 0.097 0.060 16 0 "[ . 1 . 2]"
1 89 ALA 0.012 0.012 16 0 "[ . 1 . 2]"
1 90 LYS 0.125 0.099 16 0 "[ . 1 . 2]"
1 91 PRO 0.734 0.131 18 0 "[ . 1 . 2]"
1 92 MET 0.823 0.131 18 0 "[ . 1 . 2]"
1 93 ARG 0.022 0.022 15 0 "[ . 1 . 2]"
1 94 ILE 0.122 0.056 18 0 "[ . 1 . 2]"
1 95 LYS 0.261 0.058 5 0 "[ . 1 . 2]"
1 96 GLU 0.156 0.058 5 0 "[ . 1 . 2]"
1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 MET HA 1 8 MET ME . . 4.440 3.661 2.235 4.422 . 0 0 "[ . 1 . 2]" 1
2 1 8 MET ME 1 9 ALA HA . . 4.560 3.990 2.598 4.552 . 0 0 "[ . 1 . 2]" 1
3 1 8 MET QG 1 9 ALA HA . . 4.390 3.892 3.249 4.354 . 0 0 "[ . 1 . 2]" 1
4 1 9 ALA MB 1 10 THR HA . . 4.410 4.105 3.710 4.383 . 0 0 "[ . 1 . 2]" 1
5 1 11 THR H 1 11 THR MG . . 4.600 3.718 1.859 4.009 . 0 0 "[ . 1 . 2]" 1
6 1 11 THR HA 1 11 THR MG . . 3.030 2.306 1.999 3.160 0.130 17 0 "[ . 1 . 2]" 1
7 1 11 THR HA 1 13 ARG H . . 4.050 3.728 3.224 4.063 0.013 16 0 "[ . 1 . 2]" 1
8 1 11 THR MG 1 13 ARG H . . 3.870 2.674 2.027 3.840 . 0 0 "[ . 1 . 2]" 1
9 1 11 THR MG 1 13 ARG QD . . 4.600 3.445 2.103 4.534 . 0 0 "[ . 1 . 2]" 1
10 1 12 LYS H 1 12 LYS QB . . 3.540 2.367 2.220 3.112 . 0 0 "[ . 1 . 2]" 1
11 1 12 LYS H 1 13 ARG H . . 4.200 2.860 1.819 3.438 . 0 0 "[ . 1 . 2]" 1
12 1 12 LYS HA 1 12 LYS HD2 . . 4.920 3.984 2.496 4.823 . 0 0 "[ . 1 . 2]" 1
13 1 12 LYS HA 1 12 LYS QD . . 4.240 3.507 2.456 4.160 . 0 0 "[ . 1 . 2]" 1
14 1 12 LYS HA 1 12 LYS HD3 . . 4.920 4.084 2.556 4.821 . 0 0 "[ . 1 . 2]" 1
15 1 12 LYS HA 1 12 LYS QE . . 4.760 4.308 3.627 4.632 . 0 0 "[ . 1 . 2]" 1
16 1 12 LYS HA 1 12 LYS HG2 . . 3.950 2.841 2.150 3.776 . 0 0 "[ . 1 . 2]" 1
17 1 12 LYS HA 1 12 LYS HG3 . . 3.950 2.788 2.244 3.655 . 0 0 "[ . 1 . 2]" 1
18 1 12 LYS HA 1 88 LEU QB . . 5.340 4.251 3.506 4.658 . 0 0 "[ . 1 . 2]" 1
19 1 12 LYS HA 1 88 LEU MD1 . . 3.720 3.427 2.637 3.708 . 0 0 "[ . 1 . 2]" 1
20 1 12 LYS HA 1 88 LEU MD2 . . 4.310 2.108 1.772 2.646 . 0 0 "[ . 1 . 2]" 1
21 1 12 LYS QB 1 12 LYS QD . . 3.320 2.191 2.065 2.428 . 0 0 "[ . 1 . 2]" 1
22 1 12 LYS QB 1 13 ARG H . . 4.000 3.690 2.698 3.978 . 0 0 "[ . 1 . 2]" 1
23 1 12 LYS QB 1 64 ALA MB . . 3.490 2.751 2.119 3.427 . 0 0 "[ . 1 . 2]" 1
24 1 12 LYS QB 1 88 LEU MD1 . . 3.920 3.674 3.075 3.936 0.016 20 0 "[ . 1 . 2]" 1
25 1 12 LYS QB 1 88 LEU MD2 . . 3.800 2.939 2.494 3.660 . 0 0 "[ . 1 . 2]" 1
26 1 12 LYS HB2 1 13 ARG H . . 4.660 4.134 2.852 4.644 . 0 0 "[ . 1 . 2]" 1
27 1 12 LYS HB2 1 88 LEU MD1 . . 4.750 4.374 3.132 4.752 0.002 5 0 "[ . 1 . 2]" 1
28 1 12 LYS HB2 1 88 LEU MD2 . . 4.410 3.846 3.201 4.397 . 0 0 "[ . 1 . 2]" 1
29 1 12 LYS HB3 1 13 ARG H . . 4.660 4.193 3.331 4.420 . 0 0 "[ . 1 . 2]" 1
30 1 12 LYS HB3 1 88 LEU MD1 . . 4.750 4.153 3.474 4.810 0.060 16 0 "[ . 1 . 2]" 1
31 1 12 LYS HB3 1 88 LEU MD2 . . 4.410 3.194 2.538 4.259 . 0 0 "[ . 1 . 2]" 1
32 1 12 LYS QD 1 88 LEU MD1 . . 3.980 3.063 1.858 3.972 . 0 0 "[ . 1 . 2]" 1
33 1 12 LYS QE 1 88 LEU MD1 . . 4.210 3.164 1.958 4.203 . 0 0 "[ . 1 . 2]" 1
34 1 12 LYS QE 1 88 LEU MD2 . . 4.290 3.688 2.674 4.287 . 0 0 "[ . 1 . 2]" 1
35 1 12 LYS QG 1 88 LEU MD1 . . 3.800 2.262 1.865 3.717 . 0 0 "[ . 1 . 2]" 1
36 1 12 LYS QG 1 88 LEU MD2 . . 3.280 2.186 1.814 3.191 . 0 0 "[ . 1 . 2]" 1
37 1 13 ARG H 1 13 ARG QG . . 3.400 2.953 2.091 3.402 0.002 12 0 "[ . 1 . 2]" 1
38 1 13 ARG H 1 14 VAL H . . 3.220 2.214 1.839 2.773 . 0 0 "[ . 1 . 2]" 1
39 1 13 ARG H 1 14 VAL MG2 . . 4.020 3.825 3.084 4.014 . 0 0 "[ . 1 . 2]" 1
40 1 13 ARG H 1 64 ALA MB . . 4.890 4.663 4.247 4.885 . 0 0 "[ . 1 . 2]" 1
41 1 13 ARG H 1 67 ALA MB . . 5.370 4.462 4.157 5.069 . 0 0 "[ . 1 . 2]" 1
42 1 13 ARG H 1 88 LEU MD2 . . 4.870 4.179 3.225 4.758 . 0 0 "[ . 1 . 2]" 1
43 1 13 ARG HA 1 13 ARG HD2 . . 5.030 4.326 2.399 4.851 . 0 0 "[ . 1 . 2]" 1
44 1 13 ARG HA 1 13 ARG QD . . 4.370 3.820 2.376 4.198 . 0 0 "[ . 1 . 2]" 1
45 1 13 ARG HA 1 13 ARG HD3 . . 5.030 4.353 2.522 4.901 . 0 0 "[ . 1 . 2]" 1
46 1 13 ARG HA 1 14 VAL MG2 . . 4.770 4.674 4.092 4.768 . 0 0 "[ . 1 . 2]" 1
47 1 13 ARG HA 1 64 ALA HA . . 3.950 2.952 2.550 3.275 . 0 0 "[ . 1 . 2]" 1
48 1 13 ARG HA 1 67 ALA MB . . 3.380 2.489 2.223 3.045 . 0 0 "[ . 1 . 2]" 1
49 1 13 ARG QB 1 13 ARG QD . . 3.270 2.163 2.053 2.526 . 0 0 "[ . 1 . 2]" 1
50 1 13 ARG QB 1 14 VAL MG2 . . 3.260 2.844 2.646 3.009 . 0 0 "[ . 1 . 2]" 1
51 1 13 ARG QB 1 61 PHE H . . 4.030 2.796 2.086 3.269 . 0 0 "[ . 1 . 2]" 1
52 1 13 ARG QB 1 64 ALA HA . . 4.700 4.289 3.909 4.586 . 0 0 "[ . 1 . 2]" 1
53 1 13 ARG QB 1 67 ALA MB . . 5.340 3.997 3.655 4.483 . 0 0 "[ . 1 . 2]" 1
54 1 13 ARG HB2 1 61 PHE H . . 4.630 4.277 3.502 4.627 . 0 0 "[ . 1 . 2]" 1
55 1 13 ARG HB3 1 61 PHE H . . 4.630 2.837 2.099 3.351 . 0 0 "[ . 1 . 2]" 1
56 1 13 ARG QD 1 64 ALA MB . . 4.650 3.896 2.625 4.575 . 0 0 "[ . 1 . 2]" 1
57 1 13 ARG QG 1 14 VAL H . . 4.650 4.241 4.082 4.646 . 0 0 "[ . 1 . 2]" 1
58 1 13 ARG QG 1 61 PHE H . . 5.180 4.378 3.671 5.119 . 0 0 "[ . 1 . 2]" 1
59 1 13 ARG QG 1 64 ALA HA . . 3.780 2.701 2.388 3.125 . 0 0 "[ . 1 . 2]" 1
60 1 13 ARG QG 1 64 ALA MB . . 3.690 2.798 2.393 3.158 . 0 0 "[ . 1 . 2]" 1
61 1 13 ARG QG 1 67 ALA MB . . 5.340 3.771 3.341 4.203 . 0 0 "[ . 1 . 2]" 1
62 1 13 ARG HG2 1 64 ALA HA . . 4.330 3.128 2.686 4.094 . 0 0 "[ . 1 . 2]" 1
63 1 13 ARG HG3 1 64 ALA HA . . 4.330 3.261 2.408 4.312 . 0 0 "[ . 1 . 2]" 1
64 1 14 VAL H 1 14 VAL HB . . 3.270 2.560 2.481 2.957 . 0 0 "[ . 1 . 2]" 1
65 1 14 VAL H 1 14 VAL MG1 . . 3.960 3.791 3.771 3.963 0.003 11 0 "[ . 1 . 2]" 1
66 1 14 VAL H 1 14 VAL MG2 . . 3.240 2.274 1.935 2.983 . 0 0 "[ . 1 . 2]" 1
67 1 14 VAL H 1 15 LEU H . . 4.470 4.377 4.108 4.479 0.009 2 0 "[ . 1 . 2]" 1
68 1 14 VAL HA 1 14 VAL MG1 . . 3.340 2.331 2.196 2.468 . 0 0 "[ . 1 . 2]" 1
69 1 14 VAL HA 1 14 VAL MG2 . . 3.320 2.442 2.392 2.543 . 0 0 "[ . 1 . 2]" 1
70 1 14 VAL HA 1 59 VAL H . . 4.420 4.308 4.029 4.422 0.002 10 0 "[ . 1 . 2]" 1
71 1 14 VAL HA 1 60 GLU HA . . 4.080 2.312 2.034 2.451 . 0 0 "[ . 1 . 2]" 1
72 1 14 VAL HA 1 61 PHE H . . 4.420 3.576 3.190 3.983 . 0 0 "[ . 1 . 2]" 1
73 1 14 VAL HB 1 89 ALA MB . . 3.460 2.657 2.329 2.845 . 0 0 "[ . 1 . 2]" 1
74 1 14 VAL MG1 1 15 LEU H . . 3.460 2.826 2.579 3.190 . 0 0 "[ . 1 . 2]" 1
75 1 14 VAL MG1 1 15 LEU HB2 . . 5.180 4.717 4.520 4.953 . 0 0 "[ . 1 . 2]" 1
76 1 14 VAL MG1 1 58 PHE HA . . 4.230 3.460 3.226 3.716 . 0 0 "[ . 1 . 2]" 1
77 1 14 VAL MG1 1 58 PHE HB2 . . 3.800 3.229 3.008 3.499 . 0 0 "[ . 1 . 2]" 1
78 1 14 VAL MG1 1 58 PHE QB . . 3.190 2.030 1.912 2.189 . 0 0 "[ . 1 . 2]" 1
79 1 14 VAL MG1 1 58 PHE HB3 . . 3.800 2.052 1.929 2.214 . 0 0 "[ . 1 . 2]" 1
80 1 14 VAL MG1 1 58 PHE QD . . 3.560 2.594 2.156 3.087 . 0 0 "[ . 1 . 2]" 1
81 1 14 VAL MG1 1 59 VAL H . . 3.660 3.161 2.829 3.446 . 0 0 "[ . 1 . 2]" 1
82 1 14 VAL MG1 1 60 GLU HA . . 4.160 3.595 3.201 3.942 . 0 0 "[ . 1 . 2]" 1
83 1 14 VAL MG1 1 60 GLU QB . . 5.340 3.940 3.518 4.670 . 0 0 "[ . 1 . 2]" 1
84 1 14 VAL MG1 1 89 ALA MB . . 2.970 2.239 1.990 2.599 . 0 0 "[ . 1 . 2]" 1
85 1 14 VAL MG2 1 60 GLU H . . 5.190 4.683 4.154 4.992 . 0 0 "[ . 1 . 2]" 1
86 1 14 VAL MG2 1 60 GLU HA . . 3.700 3.001 2.622 3.205 . 0 0 "[ . 1 . 2]" 1
87 1 14 VAL MG2 1 60 GLU QB . . 4.570 3.093 2.317 3.795 . 0 0 "[ . 1 . 2]" 1
88 1 14 VAL MG2 1 61 PHE H . . 4.190 4.126 3.945 4.193 0.003 6 0 "[ . 1 . 2]" 1
89 1 14 VAL MG2 1 89 ALA MB . . 3.930 3.824 3.548 3.942 0.012 16 0 "[ . 1 . 2]" 1
90 1 15 LEU H 1 15 LEU HB2 . . 3.840 2.642 2.542 2.700 . 0 0 "[ . 1 . 2]" 1
91 1 15 LEU H 1 15 LEU MD1 . . 4.110 3.803 3.693 3.964 . 0 0 "[ . 1 . 2]" 1
92 1 15 LEU H 1 15 LEU MD2 . . 4.200 3.260 3.012 3.431 . 0 0 "[ . 1 . 2]" 1
93 1 15 LEU H 1 15 LEU HG . . 4.140 2.378 2.166 2.542 . 0 0 "[ . 1 . 2]" 1
94 1 15 LEU H 1 59 VAL H . . 4.030 3.086 2.689 3.393 . 0 0 "[ . 1 . 2]" 1
95 1 15 LEU H 1 59 VAL HB . . 4.500 3.582 3.406 3.828 . 0 0 "[ . 1 . 2]" 1
96 1 15 LEU H 1 59 VAL MG1 . . 5.500 4.342 4.178 4.600 . 0 0 "[ . 1 . 2]" 1
97 1 15 LEU H 1 59 VAL MG2 . . 5.230 4.704 4.521 4.811 . 0 0 "[ . 1 . 2]" 1
98 1 15 LEU H 1 60 GLU HA . . 4.180 3.561 3.360 3.727 . 0 0 "[ . 1 . 2]" 1
99 1 15 LEU HA 1 15 LEU MD1 . . 4.300 3.886 3.830 3.945 . 0 0 "[ . 1 . 2]" 1
100 1 15 LEU HA 1 15 LEU MD2 . . 3.220 2.075 1.976 2.296 . 0 0 "[ . 1 . 2]" 1
101 1 15 LEU HA 1 16 TYR H . . 3.330 2.242 2.166 2.355 . 0 0 "[ . 1 . 2]" 1
102 1 15 LEU HA 1 86 VAL MG1 . . 4.600 4.231 3.944 4.501 . 0 0 "[ . 1 . 2]" 1
103 1 15 LEU HA 1 87 ASN H . . 4.850 4.629 4.477 4.823 . 0 0 "[ . 1 . 2]" 1
104 1 15 LEU HA 1 88 LEU HA . . 4.720 2.995 2.724 3.169 . 0 0 "[ . 1 . 2]" 1
105 1 15 LEU HA 1 88 LEU MD2 . . 4.130 3.632 3.331 3.887 . 0 0 "[ . 1 . 2]" 1
106 1 15 LEU HA 1 89 ALA H . . 3.640 3.114 2.803 3.373 . 0 0 "[ . 1 . 2]" 1
107 1 15 LEU HA 1 89 ALA MB . . 4.040 3.793 3.389 4.036 . 0 0 "[ . 1 . 2]" 1
108 1 15 LEU HB2 1 16 TYR H . . 4.230 3.785 3.513 4.011 . 0 0 "[ . 1 . 2]" 1
109 1 15 LEU HB2 1 17 VAL MG2 . . 3.860 3.625 3.493 3.786 . 0 0 "[ . 1 . 2]" 1
110 1 15 LEU HB2 1 59 VAL H . . 4.160 3.471 3.318 3.810 . 0 0 "[ . 1 . 2]" 1
111 1 15 LEU HB2 1 59 VAL HB . . 4.000 2.986 2.805 3.195 . 0 0 "[ . 1 . 2]" 1
112 1 15 LEU HB2 1 59 VAL MG1 . . 5.260 4.309 4.108 4.570 . 0 0 "[ . 1 . 2]" 1
113 1 15 LEU HB2 1 59 VAL MG2 . . 4.170 3.949 3.764 4.077 . 0 0 "[ . 1 . 2]" 1
114 1 15 LEU HB2 1 67 ALA MB . . 5.500 4.812 4.575 5.126 . 0 0 "[ . 1 . 2]" 1
115 1 15 LEU HB2 1 86 VAL MG1 . . 4.310 3.583 3.351 3.809 . 0 0 "[ . 1 . 2]" 1
116 1 15 LEU HB2 1 87 ASN H . . 5.450 5.378 5.166 5.451 0.001 9 0 "[ . 1 . 2]" 1
117 1 15 LEU HB3 1 16 TYR H . . 4.090 2.895 2.584 3.184 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU HB3 1 17 VAL MG2 . . 4.190 3.969 3.807 4.163 . 0 0 "[ . 1 . 2]" 1
119 1 15 LEU HB3 1 59 VAL H . . 5.250 4.882 4.736 5.124 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU HB3 1 59 VAL MG2 . . 5.450 5.245 5.040 5.406 . 0 0 "[ . 1 . 2]" 1
121 1 15 LEU HB3 1 86 VAL MG1 . . 3.960 2.635 2.371 2.841 . 0 0 "[ . 1 . 2]" 1
122 1 15 LEU MD1 1 33 PHE QD . . 4.290 3.256 2.777 3.547 . 0 0 "[ . 1 . 2]" 1
123 1 15 LEU MD1 1 33 PHE QE . . 4.020 3.139 2.881 3.411 . 0 0 "[ . 1 . 2]" 1
124 1 15 LEU MD1 1 59 VAL HB . . 4.160 3.718 3.300 3.977 . 0 0 "[ . 1 . 2]" 1
125 1 15 LEU MD1 1 61 PHE QD . . 3.410 3.274 3.133 3.391 . 0 0 "[ . 1 . 2]" 1
126 1 15 LEU MD1 1 61 PHE HZ . . 4.530 2.539 2.232 2.814 . 0 0 "[ . 1 . 2]" 1
127 1 15 LEU MD1 1 67 ALA HA . . 3.710 2.207 1.983 2.611 . 0 0 "[ . 1 . 2]" 1
128 1 15 LEU MD1 1 67 ALA MB . . 3.290 2.630 2.329 2.934 . 0 0 "[ . 1 . 2]" 1
129 1 15 LEU MD1 1 70 ALA H . . 4.100 3.759 3.589 3.885 . 0 0 "[ . 1 . 2]" 1
130 1 15 LEU MD1 1 70 ALA MB . . 3.070 1.926 1.848 2.038 . 0 0 "[ . 1 . 2]" 1
131 1 15 LEU MD1 1 71 ILE H . . 4.160 3.115 2.950 3.365 . 0 0 "[ . 1 . 2]" 1
132 1 15 LEU MD2 1 16 TYR H . . 4.070 3.651 3.448 3.741 . 0 0 "[ . 1 . 2]" 1
133 1 15 LEU MD2 1 61 PHE QD . . 4.450 4.251 3.886 4.432 . 0 0 "[ . 1 . 2]" 1
134 1 15 LEU MD2 1 67 ALA HA . . 4.180 3.187 2.932 3.376 . 0 0 "[ . 1 . 2]" 1
135 1 15 LEU MD2 1 67 ALA MB . . 3.160 1.939 1.832 2.167 . 0 0 "[ . 1 . 2]" 1
136 1 15 LEU MD2 1 68 ALA HA . . 4.490 3.725 3.613 3.935 . 0 0 "[ . 1 . 2]" 1
137 1 15 LEU MD2 1 70 ALA H . . 4.920 4.819 4.680 4.923 0.003 20 0 "[ . 1 . 2]" 1
138 1 15 LEU MD2 1 70 ALA MB . . 3.620 3.526 3.358 3.622 0.002 19 0 "[ . 1 . 2]" 1
139 1 15 LEU MD2 1 71 ILE H . . 3.900 3.791 3.668 3.892 . 0 0 "[ . 1 . 2]" 1
140 1 15 LEU MD2 1 87 ASN H . . 5.060 4.822 4.594 5.058 . 0 0 "[ . 1 . 2]" 1
141 1 15 LEU MD2 1 88 LEU HA . . 3.490 3.090 2.726 3.331 . 0 0 "[ . 1 . 2]" 1
142 1 15 LEU MD2 1 89 ALA H . . 4.420 4.046 3.738 4.338 . 0 0 "[ . 1 . 2]" 1
143 1 15 LEU HG 1 61 PHE QD . . 4.580 3.167 2.806 3.710 . 0 0 "[ . 1 . 2]" 1
144 1 15 LEU HG 1 61 PHE QE . . 5.290 3.304 2.807 3.845 . 0 0 "[ . 1 . 2]" 1
145 1 15 LEU HG 1 67 ALA MB . . 3.830 2.737 2.479 3.100 . 0 0 "[ . 1 . 2]" 1
146 1 15 LEU HG 1 70 ALA MB . . 4.340 4.227 4.089 4.345 0.005 20 0 "[ . 1 . 2]" 1
147 1 16 TYR H 1 16 TYR QB . . 3.490 2.288 2.185 2.432 . 0 0 "[ . 1 . 2]" 1
148 1 16 TYR H 1 16 TYR QD . . 4.440 3.838 3.631 4.113 . 0 0 "[ . 1 . 2]" 1
149 1 16 TYR H 1 17 VAL H . . 4.810 4.425 4.317 4.522 . 0 0 "[ . 1 . 2]" 1
150 1 16 TYR H 1 71 ILE MD . . 4.450 4.256 3.885 4.450 . 0 0 "[ . 1 . 2]" 1
151 1 16 TYR H 1 87 ASN H . . 3.800 2.900 2.759 3.147 . 0 0 "[ . 1 . 2]" 1
152 1 16 TYR H 1 88 LEU H . . 4.870 4.758 4.598 4.873 0.003 2 0 "[ . 1 . 2]" 1
153 1 16 TYR H 1 88 LEU HA . . 4.120 3.558 3.360 3.675 . 0 0 "[ . 1 . 2]" 1
154 1 16 TYR H 1 89 ALA H . . 4.020 3.632 3.392 3.872 . 0 0 "[ . 1 . 2]" 1
155 1 16 TYR H 1 89 ALA MB . . 4.370 4.048 3.460 4.343 . 0 0 "[ . 1 . 2]" 1
156 1 16 TYR HA 1 17 VAL H . . 3.240 2.156 2.138 2.215 . 0 0 "[ . 1 . 2]" 1
157 1 16 TYR HA 1 57 ALA H . . 4.700 4.530 4.346 4.677 . 0 0 "[ . 1 . 2]" 1
158 1 16 TYR HA 1 57 ALA MB . . 5.420 5.276 4.921 5.420 0.000 7 0 "[ . 1 . 2]" 1
159 1 16 TYR HA 1 58 PHE HA . . 4.380 2.682 2.478 2.940 . 0 0 "[ . 1 . 2]" 1
160 1 16 TYR HA 1 58 PHE QD . . 4.250 2.996 2.311 3.937 . 0 0 "[ . 1 . 2]" 1
161 1 16 TYR QB 1 17 VAL H . . 4.240 3.703 3.499 3.812 . 0 0 "[ . 1 . 2]" 1
162 1 16 TYR QB 1 87 ASN H . . 4.110 3.306 3.132 3.551 . 0 0 "[ . 1 . 2]" 1
163 1 16 TYR QB 1 89 ALA HA . . 4.250 2.180 1.975 2.333 . 0 0 "[ . 1 . 2]" 1
164 1 16 TYR QB 1 89 ALA MB . . 3.460 3.051 2.466 3.393 . 0 0 "[ . 1 . 2]" 1
165 1 16 TYR QB 1 90 LYS H . . 4.550 3.410 2.905 3.684 . 0 0 "[ . 1 . 2]" 1
166 1 16 TYR QD 1 17 VAL H . . 4.560 3.635 3.387 3.797 . 0 0 "[ . 1 . 2]" 1
167 1 16 TYR QD 1 18 GLY H . . 4.560 4.303 4.018 4.521 . 0 0 "[ . 1 . 2]" 1
168 1 16 TYR QD 1 58 PHE QE . . 4.050 2.358 1.995 3.180 . 0 0 "[ . 1 . 2]" 1
169 1 16 TYR QD 1 58 PHE HZ . . 4.240 2.999 2.442 3.872 . 0 0 "[ . 1 . 2]" 1
170 1 16 TYR QD 1 87 ASN H . . 4.130 2.916 2.399 3.507 . 0 0 "[ . 1 . 2]" 1
171 1 16 TYR QD 1 89 ALA MB . . 4.720 4.358 3.422 4.647 . 0 0 "[ . 1 . 2]" 1
172 1 16 TYR QD 1 90 LYS H . . 4.430 4.186 3.586 4.421 . 0 0 "[ . 1 . 2]" 1
173 1 16 TYR QD 1 90 LYS QB . . 5.330 4.992 4.563 5.312 . 0 0 "[ . 1 . 2]" 1
174 1 16 TYR QD 1 90 LYS QG . . 5.090 4.568 3.685 5.061 . 0 0 "[ . 1 . 2]" 1
175 1 16 TYR QE 1 18 GLY H . . 4.390 3.820 3.474 4.155 . 0 0 "[ . 1 . 2]" 1
176 1 16 TYR QE 1 18 GLY HA2 . . 4.380 4.076 3.552 4.306 . 0 0 "[ . 1 . 2]" 1
177 1 16 TYR QE 1 19 GLY H . . 5.500 5.359 4.930 5.493 . 0 0 "[ . 1 . 2]" 1
178 1 16 TYR QE 1 56 PHE HB2 . . 4.200 3.117 2.761 3.451 . 0 0 "[ . 1 . 2]" 1
179 1 16 TYR QE 1 56 PHE HB3 . . 4.200 3.915 3.579 4.189 . 0 0 "[ . 1 . 2]" 1
180 1 16 TYR QE 1 56 PHE QD . . 4.190 3.070 2.117 4.171 . 0 0 "[ . 1 . 2]" 1
181 1 16 TYR QE 1 57 ALA H . . 5.120 4.670 4.272 5.013 . 0 0 "[ . 1 . 2]" 1
182 1 16 TYR QE 1 85 ARG QB . . 4.070 3.368 2.830 3.986 . 0 0 "[ . 1 . 2]" 1
183 1 16 TYR QE 1 85 ARG QD . . 5.250 5.144 4.561 5.251 0.001 7 0 "[ . 1 . 2]" 1
184 1 17 VAL H 1 17 VAL HB . . 3.820 2.643 2.582 2.748 . 0 0 "[ . 1 . 2]" 1
185 1 17 VAL H 1 17 VAL MG1 . . 4.110 3.850 3.825 3.889 . 0 0 "[ . 1 . 2]" 1
186 1 17 VAL H 1 17 VAL MG2 . . 3.600 2.641 2.173 2.930 . 0 0 "[ . 1 . 2]" 1
187 1 17 VAL H 1 18 GLY H . . 4.610 4.440 4.349 4.518 . 0 0 "[ . 1 . 2]" 1
188 1 17 VAL H 1 20 LEU MD1 . . 4.730 4.645 4.545 4.717 . 0 0 "[ . 1 . 2]" 1
189 1 17 VAL H 1 57 ALA H . . 3.800 2.871 2.732 2.984 . 0 0 "[ . 1 . 2]" 1
190 1 17 VAL H 1 58 PHE HA . . 4.550 3.408 3.171 3.626 . 0 0 "[ . 1 . 2]" 1
191 1 17 VAL HA 1 17 VAL MG1 . . 3.270 2.346 2.154 2.462 . 0 0 "[ . 1 . 2]" 1
192 1 17 VAL HA 1 17 VAL MG2 . . 3.420 2.379 2.293 2.580 . 0 0 "[ . 1 . 2]" 1
193 1 17 VAL HA 1 18 GLY H . . 3.110 2.185 2.158 2.228 . 0 0 "[ . 1 . 2]" 1
194 1 17 VAL HA 1 57 ALA H . . 4.880 4.740 4.622 4.813 . 0 0 "[ . 1 . 2]" 1
195 1 17 VAL HA 1 86 VAL HA . . 3.920 2.675 2.501 2.901 . 0 0 "[ . 1 . 2]" 1
196 1 17 VAL HA 1 86 VAL MG1 . . 4.260 3.643 3.383 3.970 . 0 0 "[ . 1 . 2]" 1
197 1 17 VAL HB 1 20 LEU MD1 . . 4.300 2.698 2.370 2.936 . 0 0 "[ . 1 . 2]" 1
198 1 17 VAL HB 1 20 LEU MD2 . . 4.230 3.661 3.150 4.051 . 0 0 "[ . 1 . 2]" 1
199 1 17 VAL HB 1 57 ALA H . . 3.990 3.026 2.700 3.238 . 0 0 "[ . 1 . 2]" 1
200 1 17 VAL HB 1 57 ALA MB . . 3.640 3.476 3.213 3.632 . 0 0 "[ . 1 . 2]" 1
201 1 17 VAL MG1 1 18 GLY H . . 3.720 2.252 2.021 2.600 . 0 0 "[ . 1 . 2]" 1
202 1 17 VAL MG1 1 20 LEU MD1 . . 3.370 2.392 1.983 2.878 . 0 0 "[ . 1 . 2]" 1
203 1 17 VAL MG1 1 20 LEU HG . . 4.240 2.329 1.969 2.700 . 0 0 "[ . 1 . 2]" 1
204 1 17 VAL MG1 1 33 PHE HZ . . 3.480 3.137 2.635 3.482 0.002 14 0 "[ . 1 . 2]" 1
205 1 17 VAL MG1 1 85 ARG H . . 4.020 3.677 3.351 3.990 . 0 0 "[ . 1 . 2]" 1
206 1 17 VAL MG1 1 86 VAL HA . . 4.480 4.078 3.805 4.299 . 0 0 "[ . 1 . 2]" 1
207 1 17 VAL MG1 1 86 VAL MG2 . . 3.200 2.741 2.386 3.018 . 0 0 "[ . 1 . 2]" 1
208 1 17 VAL MG2 1 18 GLY H . . 4.100 4.000 3.915 4.101 0.001 16 0 "[ . 1 . 2]" 1
209 1 17 VAL MG2 1 33 PHE HZ . . 3.460 2.622 2.294 3.043 . 0 0 "[ . 1 . 2]" 1
210 1 17 VAL MG2 1 57 ALA H . . 4.420 4.270 3.865 4.419 . 0 0 "[ . 1 . 2]" 1
211 1 17 VAL MG2 1 58 PHE HA . . 4.590 3.945 3.513 4.275 . 0 0 "[ . 1 . 2]" 1
212 1 17 VAL MG2 1 59 VAL H . . 4.080 3.796 3.585 4.008 . 0 0 "[ . 1 . 2]" 1
213 1 17 VAL MG2 1 59 VAL HB . . 4.450 3.843 3.566 3.993 . 0 0 "[ . 1 . 2]" 1
214 1 17 VAL MG2 1 59 VAL MG2 . . 3.050 2.565 2.131 2.889 . 0 0 "[ . 1 . 2]" 1
215 1 17 VAL MG2 1 74 MET ME . . 4.760 4.158 3.927 4.514 . 0 0 "[ . 1 . 2]" 1
216 1 17 VAL MG2 1 86 VAL HA . . 4.290 3.512 3.175 3.985 . 0 0 "[ . 1 . 2]" 1
217 1 17 VAL MG2 1 86 VAL MG1 . . 3.380 2.743 2.353 3.008 . 0 0 "[ . 1 . 2]" 1
218 1 17 VAL MG2 1 86 VAL MG2 . . 3.560 2.601 2.301 3.090 . 0 0 "[ . 1 . 2]" 1
219 1 17 VAL MG2 1 87 ASN H . . 4.840 4.378 4.106 4.660 . 0 0 "[ . 1 . 2]" 1
220 1 18 GLY H 1 19 GLY H . . 4.620 4.458 4.428 4.485 . 0 0 "[ . 1 . 2]" 1
221 1 18 GLY H 1 84 ILE HA . . 4.750 4.623 4.440 4.749 . 0 0 "[ . 1 . 2]" 1
222 1 18 GLY H 1 85 ARG H . . 3.710 2.729 2.486 2.932 . 0 0 "[ . 1 . 2]" 1
223 1 18 GLY H 1 85 ARG HB2 . . 4.610 3.904 3.350 4.617 0.007 16 0 "[ . 1 . 2]" 1
224 1 18 GLY H 1 85 ARG QB . . 3.780 3.374 3.179 3.593 . 0 0 "[ . 1 . 2]" 1
225 1 18 GLY H 1 85 ARG HB3 . . 4.610 4.060 3.240 4.594 . 0 0 "[ . 1 . 2]" 1
226 1 18 GLY H 1 86 VAL HA . . 4.400 3.782 3.654 4.092 . 0 0 "[ . 1 . 2]" 1
227 1 18 GLY H 1 86 VAL MG2 . . 4.260 3.627 3.387 3.976 . 0 0 "[ . 1 . 2]" 1
228 1 18 GLY HA2 1 19 GLY H . . 3.460 2.449 2.240 2.527 . 0 0 "[ . 1 . 2]" 1
229 1 18 GLY HA2 1 20 LEU H . . 4.230 3.385 3.089 3.583 . 0 0 "[ . 1 . 2]" 1
230 1 18 GLY HA2 1 57 ALA H . . 4.780 4.062 3.847 4.164 . 0 0 "[ . 1 . 2]" 1
231 1 18 GLY HA3 1 56 PHE HA . . 4.490 4.282 4.036 4.482 . 0 0 "[ . 1 . 2]" 1
232 1 19 GLY H 1 20 LEU H . . 3.260 2.623 2.263 2.747 . 0 0 "[ . 1 . 2]" 1
233 1 19 GLY H 1 20 LEU HB2 . . 5.100 4.753 4.420 4.924 . 0 0 "[ . 1 . 2]" 1
234 1 19 GLY H 1 20 LEU HG . . 4.640 4.324 3.929 4.603 . 0 0 "[ . 1 . 2]" 1
235 1 19 GLY H 1 56 PHE HA . . 4.570 4.313 3.892 4.539 . 0 0 "[ . 1 . 2]" 1
236 1 19 GLY H 1 56 PHE QB . . 4.600 3.508 3.350 3.807 . 0 0 "[ . 1 . 2]" 1
237 1 19 GLY H 1 84 ILE MG . . 5.080 4.743 4.443 4.945 . 0 0 "[ . 1 . 2]" 1
238 1 19 GLY QA 1 84 ILE HA . . 4.080 2.699 2.413 2.899 . 0 0 "[ . 1 . 2]" 1
239 1 19 GLY QA 1 84 ILE MG . . 3.990 3.260 2.844 3.407 . 0 0 "[ . 1 . 2]" 1
240 1 19 GLY HA2 1 84 ILE HA . . 4.680 4.418 4.178 4.618 . 0 0 "[ . 1 . 2]" 1
241 1 19 GLY HA2 1 84 ILE MG . . 4.650 4.302 3.971 4.511 . 0 0 "[ . 1 . 2]" 1
242 1 19 GLY HA3 1 84 ILE HA . . 4.680 2.724 2.428 2.930 . 0 0 "[ . 1 . 2]" 1
243 1 19 GLY HA3 1 84 ILE MG . . 4.650 3.378 2.914 3.536 . 0 0 "[ . 1 . 2]" 1
244 1 20 LEU H 1 20 LEU HB2 . . 3.620 2.367 2.279 2.466 . 0 0 "[ . 1 . 2]" 1
245 1 20 LEU H 1 20 LEU MD1 . . 3.890 3.664 3.499 3.866 . 0 0 "[ . 1 . 2]" 1
246 1 20 LEU H 1 20 LEU MD2 . . 3.920 3.666 3.441 3.878 . 0 0 "[ . 1 . 2]" 1
247 1 20 LEU H 1 20 LEU HG . . 3.440 2.584 2.265 2.968 . 0 0 "[ . 1 . 2]" 1
248 1 20 LEU H 1 21 ALA H . . 4.750 4.554 4.486 4.614 . 0 0 "[ . 1 . 2]" 1
249 1 20 LEU H 1 55 GLY HA2 . . 4.300 3.536 2.872 3.904 . 0 0 "[ . 1 . 2]" 1
250 1 20 LEU H 1 55 GLY QA . . 3.760 3.007 2.513 3.370 . 0 0 "[ . 1 . 2]" 1
251 1 20 LEU H 1 55 GLY HA3 . . 4.300 3.269 2.695 3.768 . 0 0 "[ . 1 . 2]" 1
252 1 20 LEU H 1 56 PHE HA . . 4.410 3.801 3.537 3.987 . 0 0 "[ . 1 . 2]" 1
253 1 20 LEU H 1 84 ILE MG . . 3.700 3.603 3.409 3.694 . 0 0 "[ . 1 . 2]" 1
254 1 20 LEU HA 1 20 LEU MD1 . . 4.480 3.868 3.830 3.903 . 0 0 "[ . 1 . 2]" 1
255 1 20 LEU HA 1 20 LEU MD2 . . 3.630 2.174 2.026 2.325 . 0 0 "[ . 1 . 2]" 1
256 1 20 LEU HA 1 21 ALA H . . 3.370 2.524 2.296 2.653 . 0 0 "[ . 1 . 2]" 1
257 1 20 LEU HA 1 21 ALA MB . . 4.090 3.981 3.926 4.029 . 0 0 "[ . 1 . 2]" 1
258 1 20 LEU HA 1 24 VAL MG2 . . 3.900 3.702 3.477 3.882 . 0 0 "[ . 1 . 2]" 1
259 1 20 LEU HA 1 84 ILE MG . . 3.840 2.300 2.009 2.709 . 0 0 "[ . 1 . 2]" 1
260 1 20 LEU HB2 1 53 HIS HE1 . . 4.300 3.551 2.694 4.133 . 0 0 "[ . 1 . 2]" 1
261 1 20 LEU HB2 1 55 GLY QA . . 4.580 2.439 2.227 2.777 . 0 0 "[ . 1 . 2]" 1
262 1 20 LEU HB2 1 56 PHE H . . 4.720 3.637 3.180 4.017 . 0 0 "[ . 1 . 2]" 1
263 1 20 LEU HB3 1 20 LEU MD1 . . 3.090 2.449 2.311 2.528 . 0 0 "[ . 1 . 2]" 1
264 1 20 LEU HB3 1 24 VAL HB . . 4.480 2.410 2.248 2.547 . 0 0 "[ . 1 . 2]" 1
265 1 20 LEU HB3 1 53 HIS HE1 . . 4.350 4.030 3.069 4.334 . 0 0 "[ . 1 . 2]" 1
266 1 20 LEU MD1 1 24 VAL HB . . 4.680 3.481 3.350 3.671 . 0 0 "[ . 1 . 2]" 1
267 1 20 LEU MD1 1 24 VAL MG1 . . 3.370 2.169 1.953 2.418 . 0 0 "[ . 1 . 2]" 1
268 1 20 LEU MD1 1 24 VAL MG2 . . 4.230 4.146 3.761 4.231 0.001 10 0 "[ . 1 . 2]" 1
269 1 20 LEU MD1 1 29 LEU MD1 . . 3.230 1.903 1.755 2.203 . 0 0 "[ . 1 . 2]" 1
270 1 20 LEU MD1 1 56 PHE H . . 4.150 3.079 2.773 3.582 . 0 0 "[ . 1 . 2]" 1
271 1 20 LEU MD1 1 56 PHE HA . . 4.030 2.389 2.102 2.710 . 0 0 "[ . 1 . 2]" 1
272 1 20 LEU MD1 1 57 ALA H . . 3.940 3.192 2.946 3.508 . 0 0 "[ . 1 . 2]" 1
273 1 20 LEU MD1 1 57 ALA MB . . 3.020 2.720 2.436 2.988 . 0 0 "[ . 1 . 2]" 1
274 1 20 LEU MD2 1 21 ALA H . . 4.020 3.010 2.768 3.177 . 0 0 "[ . 1 . 2]" 1
275 1 20 LEU MD2 1 21 ALA MB . . 4.420 4.261 4.028 4.412 . 0 0 "[ . 1 . 2]" 1
276 1 20 LEU MD2 1 24 VAL HB . . 4.200 3.320 3.015 3.557 . 0 0 "[ . 1 . 2]" 1
277 1 20 LEU MD2 1 56 PHE HA . . 4.710 4.365 4.090 4.638 . 0 0 "[ . 1 . 2]" 1
278 1 20 LEU MD2 1 84 ILE MG . . 3.140 2.146 1.776 2.485 . 0 0 "[ . 1 . 2]" 1
279 1 20 LEU MD2 1 85 ARG H . . 5.110 4.985 4.776 5.108 . 0 0 "[ . 1 . 2]" 1
280 1 20 LEU HG 1 56 PHE H . . 5.050 4.765 4.406 4.987 . 0 0 "[ . 1 . 2]" 1
281 1 20 LEU HG 1 56 PHE HA . . 4.350 2.996 2.663 3.236 . 0 0 "[ . 1 . 2]" 1
282 1 21 ALA H 1 21 ALA MB . . 3.080 2.239 2.051 2.427 . 0 0 "[ . 1 . 2]" 1
283 1 21 ALA H 1 24 VAL MG1 . . 4.130 3.472 3.216 3.954 . 0 0 "[ . 1 . 2]" 1
284 1 21 ALA H 1 24 VAL MG2 . . 3.690 2.123 1.959 2.429 . 0 0 "[ . 1 . 2]" 1
285 1 21 ALA H 1 82 ARG QD . . 4.100 3.516 2.395 4.079 . 0 0 "[ . 1 . 2]" 1
286 1 21 ALA HA 1 22 GLU H . . 3.160 2.558 2.300 2.660 . 0 0 "[ . 1 . 2]" 1
287 1 21 ALA HA 1 22 GLU HA . . 4.540 4.328 4.308 4.342 . 0 0 "[ . 1 . 2]" 1
288 1 21 ALA HA 1 23 GLU H . . 4.340 4.154 3.794 4.324 . 0 0 "[ . 1 . 2]" 1
289 1 21 ALA HA 1 82 ARG QD . . 3.690 3.120 2.426 3.693 0.003 20 0 "[ . 1 . 2]" 1
290 1 21 ALA HA 1 82 ARG QG . . 5.290 4.945 4.144 5.275 . 0 0 "[ . 1 . 2]" 1
291 1 21 ALA MB 1 22 GLU H . . 3.350 2.274 2.015 2.717 . 0 0 "[ . 1 . 2]" 1
292 1 21 ALA MB 1 22 GLU QG . . 4.510 3.728 3.317 4.620 0.110 12 0 "[ . 1 . 2]" 1
293 1 21 ALA MB 1 23 GLU H . . 3.240 2.170 2.044 2.365 . 0 0 "[ . 1 . 2]" 1
294 1 21 ALA MB 1 24 VAL H . . 3.730 2.816 2.117 3.571 . 0 0 "[ . 1 . 2]" 1
295 1 21 ALA MB 1 24 VAL HB . . 4.140 3.330 2.974 3.736 . 0 0 "[ . 1 . 2]" 1
296 1 21 ALA MB 1 24 VAL MG2 . . 2.830 1.974 1.708 2.326 . 0 0 "[ . 1 . 2]" 1
297 1 21 ALA MB 1 80 PHE HB2 . . 3.430 2.798 2.384 3.224 . 0 0 "[ . 1 . 2]" 1
298 1 21 ALA MB 1 80 PHE HB3 . . 3.430 2.841 2.549 3.169 . 0 0 "[ . 1 . 2]" 1
299 1 21 ALA MB 1 80 PHE QD . . 3.990 2.603 2.068 3.117 . 0 0 "[ . 1 . 2]" 1
300 1 21 ALA MB 1 82 ARG QD . . 3.590 2.436 2.035 3.208 . 0 0 "[ . 1 . 2]" 1
301 1 22 GLU H 1 22 GLU HB2 . . 3.700 3.551 3.127 3.644 . 0 0 "[ . 1 . 2]" 1
302 1 22 GLU H 1 22 GLU HB3 . . 3.700 2.528 2.161 2.729 . 0 0 "[ . 1 . 2]" 1
303 1 22 GLU H 1 22 GLU QG . . 3.680 2.551 2.006 3.674 . 0 0 "[ . 1 . 2]" 1
304 1 22 GLU H 1 23 GLU H . . 3.990 2.403 2.297 2.640 . 0 0 "[ . 1 . 2]" 1
305 1 22 GLU H 1 23 GLU QB . . 4.630 4.229 4.075 4.459 . 0 0 "[ . 1 . 2]" 1
306 1 22 GLU H 1 24 VAL H . . 4.700 4.023 3.703 4.346 . 0 0 "[ . 1 . 2]" 1
307 1 22 GLU HA 1 22 GLU QG . . 3.470 3.297 2.782 3.436 . 0 0 "[ . 1 . 2]" 1
308 1 22 GLU HA 1 24 VAL H . . 4.210 3.903 3.588 4.209 . 0 0 "[ . 1 . 2]" 1
309 1 22 GLU HA 1 53 HIS HE1 . . 4.260 3.239 2.610 4.150 . 0 0 "[ . 1 . 2]" 1
310 1 22 GLU HB2 1 23 GLU H . . 4.450 4.233 4.122 4.379 . 0 0 "[ . 1 . 2]" 1
311 1 22 GLU HB3 1 23 GLU H . . 4.450 4.031 3.257 4.320 . 0 0 "[ . 1 . 2]" 1
312 1 22 GLU QG 1 23 GLU H . . 3.480 2.782 2.322 3.379 . 0 0 "[ . 1 . 2]" 1
313 1 22 GLU QG 1 23 GLU HA . . 4.020 3.539 3.255 3.994 . 0 0 "[ . 1 . 2]" 1
314 1 22 GLU QG 1 24 VAL H . . 4.800 4.558 4.360 4.807 0.007 6 0 "[ . 1 . 2]" 1
315 1 23 GLU H 1 23 GLU HB2 . . 3.660 2.597 2.277 3.682 0.022 9 0 "[ . 1 . 2]" 1
316 1 23 GLU H 1 23 GLU QB . . 3.000 2.373 2.251 2.484 . 0 0 "[ . 1 . 2]" 1
317 1 23 GLU H 1 23 GLU HB3 . . 3.660 3.165 2.453 3.665 0.005 4 0 "[ . 1 . 2]" 1
318 1 23 GLU H 1 23 GLU QG . . 4.250 3.438 2.511 4.169 . 0 0 "[ . 1 . 2]" 1
319 1 23 GLU H 1 24 VAL H . . 3.430 2.301 1.954 2.695 . 0 0 "[ . 1 . 2]" 1
320 1 23 GLU H 1 24 VAL HB . . 5.220 4.369 4.012 4.537 . 0 0 "[ . 1 . 2]" 1
321 1 23 GLU H 1 24 VAL MG1 . . 5.500 5.442 5.258 5.518 0.018 6 0 "[ . 1 . 2]" 1
322 1 23 GLU H 1 24 VAL MG2 . . 4.090 3.357 3.027 3.811 . 0 0 "[ . 1 . 2]" 1
323 1 23 GLU H 1 80 PHE QE . . 4.760 4.112 3.477 4.720 . 0 0 "[ . 1 . 2]" 1
324 1 23 GLU HA 1 23 GLU HG2 . . 4.010 3.037 2.212 3.820 . 0 0 "[ . 1 . 2]" 1
325 1 23 GLU HA 1 23 GLU QG . . 3.230 2.522 2.172 3.268 0.038 9 0 "[ . 1 . 2]" 1
326 1 23 GLU HA 1 23 GLU HG3 . . 4.010 2.983 2.200 3.789 . 0 0 "[ . 1 . 2]" 1
327 1 23 GLU HA 1 24 VAL MG2 . . 5.450 4.744 4.347 4.988 . 0 0 "[ . 1 . 2]" 1
328 1 23 GLU QB 1 24 VAL H . . 3.790 3.358 2.943 3.781 . 0 0 "[ . 1 . 2]" 1
329 1 23 GLU QB 1 80 PHE QD . . 4.390 3.193 2.716 4.343 . 0 0 "[ . 1 . 2]" 1
330 1 23 GLU QB 1 80 PHE QE . . 4.410 2.098 1.805 3.926 . 0 0 "[ . 1 . 2]" 1
331 1 23 GLU HB2 1 24 VAL H . . 4.400 3.884 3.088 4.421 0.021 20 0 "[ . 1 . 2]" 1
332 1 23 GLU HB3 1 24 VAL H . . 4.400 3.855 3.057 4.312 . 0 0 "[ . 1 . 2]" 1
333 1 23 GLU QG 1 80 PHE QD . . 5.040 4.489 2.389 5.054 0.014 20 0 "[ . 1 . 2]" 1
334 1 24 VAL H 1 24 VAL HB . . 3.040 2.512 2.344 2.647 . 0 0 "[ . 1 . 2]" 1
335 1 24 VAL H 1 24 VAL MG1 . . 3.950 3.783 3.710 3.852 . 0 0 "[ . 1 . 2]" 1
336 1 24 VAL H 1 24 VAL MG2 . . 2.930 2.457 2.048 2.778 . 0 0 "[ . 1 . 2]" 1
337 1 24 VAL H 1 25 ASP H . . 4.720 4.499 4.361 4.603 . 0 0 "[ . 1 . 2]" 1
338 1 24 VAL H 1 28 VAL MG2 . . 4.470 4.373 4.248 4.475 0.005 11 0 "[ . 1 . 2]" 1
339 1 24 VAL HA 1 24 VAL MG1 . . 3.230 2.391 2.314 2.465 . 0 0 "[ . 1 . 2]" 1
340 1 24 VAL HA 1 24 VAL MG2 . . 3.190 2.375 2.249 2.454 . 0 0 "[ . 1 . 2]" 1
341 1 24 VAL HA 1 25 ASP H . . 3.260 2.169 2.140 2.218 . 0 0 "[ . 1 . 2]" 1
342 1 24 VAL HA 1 28 VAL H . . 5.050 4.373 4.229 4.561 . 0 0 "[ . 1 . 2]" 1
343 1 24 VAL HA 1 28 VAL HB . . 3.920 2.588 2.382 2.909 . 0 0 "[ . 1 . 2]" 1
344 1 24 VAL HA 1 28 VAL MG1 . . 3.550 2.878 2.654 3.056 . 0 0 "[ . 1 . 2]" 1
345 1 24 VAL HA 1 28 VAL MG2 . . 3.220 2.066 1.977 2.212 . 0 0 "[ . 1 . 2]" 1
346 1 24 VAL MG1 1 25 ASP H . . 3.380 2.253 1.916 2.626 . 0 0 "[ . 1 . 2]" 1
347 1 24 VAL MG1 1 27 LYS H . . 5.500 5.410 5.283 5.515 0.015 11 0 "[ . 1 . 2]" 1
348 1 24 VAL MG1 1 28 VAL H . . 4.350 4.112 3.911 4.235 . 0 0 "[ . 1 . 2]" 1
349 1 24 VAL MG1 1 28 VAL HA . . 5.040 4.744 4.530 4.914 . 0 0 "[ . 1 . 2]" 1
350 1 24 VAL MG1 1 28 VAL HB . . 3.350 2.198 1.972 2.384 . 0 0 "[ . 1 . 2]" 1
351 1 24 VAL MG1 1 28 VAL MG2 . . 3.410 3.275 2.967 3.411 0.001 6 0 "[ . 1 . 2]" 1
352 1 24 VAL MG1 1 29 LEU H . . 3.660 3.150 3.047 3.282 . 0 0 "[ . 1 . 2]" 1
353 1 24 VAL MG1 1 29 LEU HA . . 4.010 3.825 3.643 4.011 0.001 9 0 "[ . 1 . 2]" 1
354 1 24 VAL MG1 1 29 LEU HB2 . . 4.010 3.935 3.798 4.011 0.001 2 0 "[ . 1 . 2]" 1
355 1 24 VAL MG1 1 29 LEU HG . . 3.260 2.152 1.949 2.310 . 0 0 "[ . 1 . 2]" 1
356 1 24 VAL MG2 1 25 ASP H . . 4.030 3.946 3.779 4.030 0.000 6 0 "[ . 1 . 2]" 1
357 1 24 VAL MG2 1 28 VAL HB . . 4.370 3.489 3.188 3.786 . 0 0 "[ . 1 . 2]" 1
358 1 24 VAL MG2 1 80 PHE HA . . 5.500 4.993 4.799 5.196 . 0 0 "[ . 1 . 2]" 1
359 1 24 VAL MG2 1 80 PHE HB2 . . 4.050 3.196 2.989 3.389 . 0 0 "[ . 1 . 2]" 1
360 1 24 VAL MG2 1 80 PHE HB3 . . 4.050 3.885 3.579 4.049 . 0 0 "[ . 1 . 2]" 1
361 1 24 VAL MG2 1 80 PHE QD . . 3.680 2.888 2.240 3.216 . 0 0 "[ . 1 . 2]" 1
362 1 24 VAL MG2 1 80 PHE QE . . 4.340 2.892 2.467 3.412 . 0 0 "[ . 1 . 2]" 1
363 1 24 VAL MG2 1 82 ARG QD . . 5.230 3.982 3.355 4.699 . 0 0 "[ . 1 . 2]" 1
364 1 25 ASP H 1 27 LYS H . . 4.470 4.149 3.977 4.321 . 0 0 "[ . 1 . 2]" 1
365 1 25 ASP H 1 28 VAL H . . 3.770 2.743 2.558 2.835 . 0 0 "[ . 1 . 2]" 1
366 1 25 ASP H 1 28 VAL HB . . 3.550 1.996 1.899 2.121 . 0 0 "[ . 1 . 2]" 1
367 1 25 ASP H 1 28 VAL MG1 . . 3.640 3.555 3.448 3.639 . 0 0 "[ . 1 . 2]" 1
368 1 25 ASP H 1 28 VAL MG2 . . 3.080 2.248 2.010 2.490 . 0 0 "[ . 1 . 2]" 1
369 1 25 ASP H 1 29 LEU H . . 4.040 3.362 3.080 3.597 . 0 0 "[ . 1 . 2]" 1
370 1 25 ASP HA 1 27 LYS H . . 4.610 4.321 4.187 4.418 . 0 0 "[ . 1 . 2]" 1
371 1 25 ASP HA 1 44 ILE MD . . 3.350 2.867 2.530 3.291 . 0 0 "[ . 1 . 2]" 1
372 1 25 ASP QB 1 26 ASP H . . 3.060 2.187 1.953 3.126 0.066 15 0 "[ . 1 . 2]" 1
373 1 25 ASP QB 1 27 LYS H . . 3.950 2.684 2.378 2.904 . 0 0 "[ . 1 . 2]" 1
374 1 25 ASP QB 1 44 ILE MD . . 4.230 3.779 3.485 4.186 . 0 0 "[ . 1 . 2]" 1
375 1 25 ASP HB2 1 26 ASP H . . 3.540 2.831 1.968 3.697 0.157 14 0 "[ . 1 . 2]" 1
376 1 25 ASP HB2 1 44 ILE MD . . 4.920 4.590 3.898 4.921 0.001 4 0 "[ . 1 . 2]" 1
377 1 25 ASP HB3 1 26 ASP H . . 3.540 2.671 1.972 3.454 . 0 0 "[ . 1 . 2]" 1
378 1 25 ASP HB3 1 44 ILE MD . . 4.920 4.154 3.584 4.911 . 0 0 "[ . 1 . 2]" 1
379 1 26 ASP H 1 26 ASP QB . . 3.570 2.437 2.174 2.694 . 0 0 "[ . 1 . 2]" 1
380 1 26 ASP H 1 27 LYS H . . 3.230 2.871 2.728 3.020 . 0 0 "[ . 1 . 2]" 1
381 1 26 ASP H 1 27 LYS QB . . 5.040 4.920 4.725 5.034 . 0 0 "[ . 1 . 2]" 1
382 1 26 ASP H 1 28 VAL H . . 5.070 4.693 4.432 4.866 . 0 0 "[ . 1 . 2]" 1
383 1 26 ASP H 1 42 ILE MG . . 4.540 4.219 3.978 4.538 . 0 0 "[ . 1 . 2]" 1
384 1 26 ASP H 1 44 ILE MD . . 3.400 2.481 2.144 2.983 . 0 0 "[ . 1 . 2]" 1
385 1 26 ASP H 1 44 ILE HG13 . . 3.990 2.448 1.940 2.903 . 0 0 "[ . 1 . 2]" 1
386 1 26 ASP H 1 44 ILE MG . . 4.070 3.653 3.469 3.895 . 0 0 "[ . 1 . 2]" 1
387 1 26 ASP HA 1 29 LEU H . . 3.960 3.777 3.573 3.893 . 0 0 "[ . 1 . 2]" 1
388 1 26 ASP HA 1 29 LEU HB2 . . 3.860 2.731 2.509 2.868 . 0 0 "[ . 1 . 2]" 1
389 1 26 ASP HA 1 29 LEU HB3 . . 4.350 4.203 3.999 4.350 . 0 0 "[ . 1 . 2]" 1
390 1 26 ASP HA 1 29 LEU MD1 . . 3.860 3.161 2.799 3.456 . 0 0 "[ . 1 . 2]" 1
391 1 26 ASP HA 1 29 LEU HG . . 4.880 4.589 4.364 4.810 . 0 0 "[ . 1 . 2]" 1
392 1 26 ASP HA 1 30 HIS H . . 4.740 3.834 3.579 4.153 . 0 0 "[ . 1 . 2]" 1
393 1 26 ASP HA 1 42 ILE MD . . 4.280 2.937 2.565 3.191 . 0 0 "[ . 1 . 2]" 1
394 1 26 ASP HA 1 42 ILE MG . . 3.430 2.402 2.111 2.766 . 0 0 "[ . 1 . 2]" 1
395 1 26 ASP HA 1 44 ILE MD . . 3.290 2.830 2.655 3.068 . 0 0 "[ . 1 . 2]" 1
396 1 26 ASP HA 1 44 ILE HG12 . . 4.870 3.934 3.429 4.354 . 0 0 "[ . 1 . 2]" 1
397 1 26 ASP HA 1 44 ILE MG . . 5.170 5.119 5.027 5.170 0.000 18 0 "[ . 1 . 2]" 1
398 1 26 ASP QB 1 27 LYS H . . 3.760 3.386 2.576 3.539 . 0 0 "[ . 1 . 2]" 1
399 1 26 ASP QB 1 42 ILE HB . . 4.080 2.654 2.207 3.681 . 0 0 "[ . 1 . 2]" 1
400 1 26 ASP QB 1 42 ILE MD . . 3.790 2.723 2.237 3.754 . 0 0 "[ . 1 . 2]" 1
401 1 26 ASP QB 1 42 ILE MG . . 3.370 2.368 1.953 2.891 . 0 0 "[ . 1 . 2]" 1
402 1 26 ASP QB 1 44 ILE MD . . 3.380 2.821 2.340 3.344 . 0 0 "[ . 1 . 2]" 1
403 1 26 ASP QB 1 44 ILE HG12 . . 4.740 2.442 2.027 2.914 . 0 0 "[ . 1 . 2]" 1
404 1 26 ASP QB 1 44 ILE HG13 . . 3.710 2.222 2.007 2.455 . 0 0 "[ . 1 . 2]" 1
405 1 27 LYS H 1 27 LYS HB2 . . 3.640 2.881 2.358 3.603 . 0 0 "[ . 1 . 2]" 1
406 1 27 LYS H 1 27 LYS QB . . 2.940 2.422 2.256 2.621 . 0 0 "[ . 1 . 2]" 1
407 1 27 LYS H 1 27 LYS HB3 . . 3.640 3.168 2.281 3.598 . 0 0 "[ . 1 . 2]" 1
408 1 27 LYS H 1 27 LYS QD . . 3.740 3.107 1.874 3.752 0.012 7 0 "[ . 1 . 2]" 1
409 1 27 LYS H 1 27 LYS QE . . 4.980 4.388 2.557 5.012 0.032 12 0 "[ . 1 . 2]" 1
410 1 27 LYS H 1 27 LYS QG . . 3.110 2.430 1.879 3.139 0.029 19 0 "[ . 1 . 2]" 1
411 1 27 LYS H 1 28 VAL H . . 2.990 2.744 2.582 2.885 . 0 0 "[ . 1 . 2]" 1
412 1 27 LYS H 1 28 VAL MG2 . . 4.240 4.125 3.891 4.223 . 0 0 "[ . 1 . 2]" 1
413 1 27 LYS H 1 29 LEU H . . 4.160 4.065 3.869 4.172 0.012 20 0 "[ . 1 . 2]" 1
414 1 27 LYS H 1 44 ILE MD . . 5.500 4.823 4.487 5.111 . 0 0 "[ . 1 . 2]" 1
415 1 27 LYS H 1 44 ILE HG13 . . 5.380 5.055 4.698 5.380 0.000 5 0 "[ . 1 . 2]" 1
416 1 27 LYS HA 1 27 LYS QD . . 4.350 4.009 3.293 4.386 0.036 6 0 "[ . 1 . 2]" 1
417 1 27 LYS HA 1 27 LYS QG . . 3.330 2.761 2.276 3.343 0.013 9 0 "[ . 1 . 2]" 1
418 1 27 LYS HA 1 28 VAL MG2 . . 5.040 4.923 4.818 5.033 . 0 0 "[ . 1 . 2]" 1
419 1 27 LYS HA 1 30 HIS H . . 4.060 3.558 3.450 3.686 . 0 0 "[ . 1 . 2]" 1
420 1 27 LYS HA 1 30 HIS HB2 . . 3.990 3.623 3.252 3.927 . 0 0 "[ . 1 . 2]" 1
421 1 27 LYS HA 1 30 HIS HB3 . . 3.800 2.548 2.355 2.816 . 0 0 "[ . 1 . 2]" 1
422 1 27 LYS HA 1 42 ILE MD . . 4.670 4.326 4.029 4.660 . 0 0 "[ . 1 . 2]" 1
423 1 27 LYS QB 1 27 LYS QD . . 3.480 2.137 2.056 2.247 . 0 0 "[ . 1 . 2]" 1
424 1 27 LYS QB 1 27 LYS QE . . 3.870 3.050 2.008 3.774 . 0 0 "[ . 1 . 2]" 1
425 1 27 LYS QB 1 28 VAL MG2 . . 4.190 3.295 2.839 3.892 . 0 0 "[ . 1 . 2]" 1
426 1 27 LYS HB2 1 27 LYS QE . . 4.520 3.489 2.179 4.120 . 0 0 "[ . 1 . 2]" 1
427 1 27 LYS HB2 1 28 VAL H . . 3.880 2.782 2.168 3.895 0.015 7 0 "[ . 1 . 2]" 1
428 1 27 LYS HB2 1 28 VAL MG2 . . 4.780 3.480 2.931 4.401 . 0 0 "[ . 1 . 2]" 1
429 1 27 LYS HB3 1 27 LYS QE . . 4.520 3.512 2.059 4.501 . 0 0 "[ . 1 . 2]" 1
430 1 27 LYS HB3 1 28 VAL H . . 3.880 3.416 3.071 3.867 . 0 0 "[ . 1 . 2]" 1
431 1 27 LYS HB3 1 28 VAL MG2 . . 4.780 4.140 3.578 4.650 . 0 0 "[ . 1 . 2]" 1
432 1 27 LYS QD 1 28 VAL MG2 . . 4.480 3.953 3.278 4.434 . 0 0 "[ . 1 . 2]" 1
433 1 27 LYS QE 1 27 LYS HG2 . . 3.880 2.565 2.071 3.291 . 0 0 "[ . 1 . 2]" 1
434 1 27 LYS QE 1 27 LYS QG . . 3.410 2.217 2.048 2.643 . 0 0 "[ . 1 . 2]" 1
435 1 27 LYS QE 1 27 LYS HG3 . . 3.880 2.731 2.114 3.487 . 0 0 "[ . 1 . 2]" 1
436 1 27 LYS QG 1 28 VAL H . . 4.870 3.215 1.775 4.324 . 0 0 "[ . 1 . 2]" 1
437 1 28 VAL H 1 28 VAL HB . . 3.360 2.597 2.524 2.674 . 0 0 "[ . 1 . 2]" 1
438 1 28 VAL H 1 28 VAL MG1 . . 3.780 3.764 3.760 3.769 . 0 0 "[ . 1 . 2]" 1
439 1 28 VAL H 1 28 VAL MG2 . . 2.900 1.990 1.880 2.133 . 0 0 "[ . 1 . 2]" 1
440 1 28 VAL H 1 29 LEU H . . 3.370 2.768 2.597 2.878 . 0 0 "[ . 1 . 2]" 1
441 1 28 VAL HA 1 28 VAL MG1 . . 3.110 2.375 2.243 2.462 . 0 0 "[ . 1 . 2]" 1
442 1 28 VAL HA 1 28 VAL MG2 . . 2.880 2.403 2.339 2.484 . 0 0 "[ . 1 . 2]" 1
443 1 28 VAL HA 1 31 ALA H . . 4.270 3.812 3.429 4.028 . 0 0 "[ . 1 . 2]" 1
444 1 28 VAL HA 1 31 ALA MB . . 3.580 3.320 2.865 3.535 . 0 0 "[ . 1 . 2]" 1
445 1 28 VAL HB 1 29 LEU H . . 3.530 2.510 2.401 2.658 . 0 0 "[ . 1 . 2]" 1
446 1 28 VAL MG1 1 29 LEU H . . 3.770 3.442 3.250 3.579 . 0 0 "[ . 1 . 2]" 1
447 1 28 VAL MG1 1 29 LEU HA . . 3.950 3.520 3.361 3.660 . 0 0 "[ . 1 . 2]" 1
448 1 28 VAL MG1 1 29 LEU HG . . 4.460 3.919 3.484 4.115 . 0 0 "[ . 1 . 2]" 1
449 1 28 VAL MG1 1 31 ALA MB . . 4.910 4.259 3.859 4.513 . 0 0 "[ . 1 . 2]" 1
450 1 28 VAL MG1 1 79 LEU HG . . 5.060 4.013 3.622 4.430 . 0 0 "[ . 1 . 2]" 1
451 1 28 VAL MG1 1 80 PHE QD . . 4.130 3.627 3.391 3.930 . 0 0 "[ . 1 . 2]" 1
452 1 28 VAL MG1 1 80 PHE QE . . 3.510 2.165 1.846 2.851 . 0 0 "[ . 1 . 2]" 1
453 1 28 VAL MG1 1 80 PHE HZ . . 4.180 2.538 1.976 3.136 . 0 0 "[ . 1 . 2]" 1
454 1 28 VAL MG2 1 29 LEU H . . 3.830 3.752 3.691 3.832 0.002 6 0 "[ . 1 . 2]" 1
455 1 28 VAL MG2 1 80 PHE QE . . 3.650 3.426 3.066 3.645 . 0 0 "[ . 1 . 2]" 1
456 1 28 VAL MG2 1 80 PHE HZ . . 3.720 2.730 2.392 3.272 . 0 0 "[ . 1 . 2]" 1
457 1 29 LEU H 1 29 LEU HB2 . . 3.420 2.277 2.250 2.324 . 0 0 "[ . 1 . 2]" 1
458 1 29 LEU H 1 29 LEU HB3 . . 3.580 3.543 3.533 3.557 . 0 0 "[ . 1 . 2]" 1
459 1 29 LEU H 1 29 LEU MD1 . . 3.880 3.636 3.548 3.806 . 0 0 "[ . 1 . 2]" 1
460 1 29 LEU H 1 29 LEU MD2 . . 3.900 3.779 3.698 3.864 . 0 0 "[ . 1 . 2]" 1
461 1 29 LEU H 1 29 LEU HG . . 3.430 2.687 2.562 2.766 . 0 0 "[ . 1 . 2]" 1
462 1 29 LEU H 1 30 HIS H . . 3.480 2.594 2.517 2.704 . 0 0 "[ . 1 . 2]" 1
463 1 29 LEU H 1 31 ALA H . . 4.700 4.469 4.270 4.699 . 0 0 "[ . 1 . 2]" 1
464 1 29 LEU HA 1 29 LEU MD1 . . 4.030 3.847 3.818 3.865 . 0 0 "[ . 1 . 2]" 1
465 1 29 LEU HA 1 29 LEU MD2 . . 2.950 2.115 1.969 2.224 . 0 0 "[ . 1 . 2]" 1
466 1 29 LEU HA 1 29 LEU HG . . 4.110 2.853 2.781 2.947 . 0 0 "[ . 1 . 2]" 1
467 1 29 LEU HA 1 33 PHE QD . . 4.230 3.201 2.974 3.556 . 0 0 "[ . 1 . 2]" 1
468 1 29 LEU HA 1 79 LEU MD1 . . 4.740 4.569 4.187 4.741 0.001 17 0 "[ . 1 . 2]" 1
469 1 29 LEU HA 1 79 LEU MD2 . . 4.030 3.897 3.663 4.026 . 0 0 "[ . 1 . 2]" 1
470 1 29 LEU HB2 1 29 LEU MD1 . . 3.330 2.219 2.118 2.373 . 0 0 "[ . 1 . 2]" 1
471 1 29 LEU HB2 1 29 LEU MD2 . . 3.560 3.179 3.170 3.186 . 0 0 "[ . 1 . 2]" 1
472 1 29 LEU HB2 1 30 HIS H . . 3.800 2.809 2.625 3.099 . 0 0 "[ . 1 . 2]" 1
473 1 29 LEU HB2 1 42 ILE MD . . 4.060 3.396 2.916 3.803 . 0 0 "[ . 1 . 2]" 1
474 1 29 LEU HB2 1 42 ILE MG . . 3.970 3.560 3.059 3.893 . 0 0 "[ . 1 . 2]" 1
475 1 29 LEU HB2 1 59 VAL MG2 . . 4.550 3.791 3.636 4.028 . 0 0 "[ . 1 . 2]" 1
476 1 29 LEU HB3 1 29 LEU MD1 . . 3.320 2.448 2.304 2.533 . 0 0 "[ . 1 . 2]" 1
477 1 29 LEU HB3 1 29 LEU MD2 . . 3.250 2.268 2.201 2.352 . 0 0 "[ . 1 . 2]" 1
478 1 29 LEU HB3 1 30 HIS H . . 3.870 3.543 3.410 3.850 . 0 0 "[ . 1 . 2]" 1
479 1 29 LEU HB3 1 42 ILE MD . . 3.980 3.582 2.799 3.957 . 0 0 "[ . 1 . 2]" 1
480 1 29 LEU HB3 1 59 VAL MG2 . . 3.950 2.790 2.559 3.073 . 0 0 "[ . 1 . 2]" 1
481 1 29 LEU MD1 1 57 ALA MB . . 2.940 2.315 1.993 2.595 . 0 0 "[ . 1 . 2]" 1
482 1 29 LEU MD2 1 32 ALA MB . . 3.580 3.091 2.895 3.521 . 0 0 "[ . 1 . 2]" 1
483 1 29 LEU MD2 1 33 PHE QD . . 3.880 3.271 3.046 3.603 . 0 0 "[ . 1 . 2]" 1
484 1 29 LEU MD2 1 33 PHE QE . . 3.380 2.433 2.068 2.893 . 0 0 "[ . 1 . 2]" 1
485 1 29 LEU HG 1 30 HIS H . . 5.050 4.669 4.584 4.746 . 0 0 "[ . 1 . 2]" 1
486 1 30 HIS H 1 30 HIS HB2 . . 3.250 2.781 2.683 2.969 . 0 0 "[ . 1 . 2]" 1
487 1 30 HIS H 1 30 HIS HB3 . . 3.210 2.316 2.240 2.390 . 0 0 "[ . 1 . 2]" 1
488 1 30 HIS H 1 31 ALA H . . 3.270 2.806 2.601 2.977 . 0 0 "[ . 1 . 2]" 1
489 1 30 HIS H 1 31 ALA MB . . 5.370 4.449 4.229 4.609 . 0 0 "[ . 1 . 2]" 1
490 1 30 HIS H 1 42 ILE MD . . 3.530 3.124 2.830 3.535 0.005 8 0 "[ . 1 . 2]" 1
491 1 30 HIS HA 1 30 HIS HD2 . . 4.670 3.928 3.532 4.206 . 0 0 "[ . 1 . 2]" 1
492 1 30 HIS HA 1 39 ILE MD . . 3.370 1.877 1.801 1.944 . 0 0 "[ . 1 . 2]" 1
493 1 30 HIS HA 1 42 ILE MD . . 3.180 2.380 2.068 2.644 . 0 0 "[ . 1 . 2]" 1
494 1 30 HIS HB2 1 31 ALA H . . 4.280 3.875 3.733 4.015 . 0 0 "[ . 1 . 2]" 1
495 1 30 HIS HB2 1 42 ILE MD . . 3.370 1.968 1.851 2.181 . 0 0 "[ . 1 . 2]" 1
496 1 30 HIS HB3 1 31 ALA H . . 3.260 2.482 2.261 2.687 . 0 0 "[ . 1 . 2]" 1
497 1 30 HIS HB3 1 31 ALA MB . . 4.250 3.919 3.789 4.040 . 0 0 "[ . 1 . 2]" 1
498 1 30 HIS HB3 1 42 ILE MD . . 4.170 3.301 3.141 3.550 . 0 0 "[ . 1 . 2]" 1
499 1 30 HIS HD2 1 39 ILE HB . . 4.390 3.408 2.817 4.175 . 0 0 "[ . 1 . 2]" 1
500 1 30 HIS HD2 1 39 ILE MD . . 4.070 3.341 2.884 3.980 . 0 0 "[ . 1 . 2]" 1
501 1 30 HIS HD2 1 39 ILE MG . . 4.010 3.278 2.334 3.726 . 0 0 "[ . 1 . 2]" 1
502 1 30 HIS HD2 1 42 ILE MD . . 3.650 2.922 2.210 3.475 . 0 0 "[ . 1 . 2]" 1
503 1 30 HIS HE1 1 31 ALA MB . . 4.540 4.085 3.639 4.513 . 0 0 "[ . 1 . 2]" 1
504 1 30 HIS HE1 1 34 ILE HB . . 4.800 3.639 3.313 3.922 . 0 0 "[ . 1 . 2]" 1
505 1 30 HIS HE1 1 34 ILE MD . . 3.680 2.459 2.012 2.906 . 0 0 "[ . 1 . 2]" 1
506 1 30 HIS HE1 1 34 ILE HG12 . . 3.810 3.314 2.975 3.683 . 0 0 "[ . 1 . 2]" 1
507 1 30 HIS HE1 1 34 ILE HG13 . . 5.050 4.746 4.396 5.022 . 0 0 "[ . 1 . 2]" 1
508 1 30 HIS HE1 1 34 ILE MG . . 4.770 4.390 3.862 4.766 . 0 0 "[ . 1 . 2]" 1
509 1 31 ALA H 1 31 ALA MB . . 2.610 2.167 2.038 2.248 . 0 0 "[ . 1 . 2]" 1
510 1 32 ALA H 1 32 ALA MB . . 2.710 2.231 2.090 2.331 . 0 0 "[ . 1 . 2]" 1
511 1 32 ALA MB 1 33 PHE H . . 3.370 3.025 2.818 3.129 . 0 0 "[ . 1 . 2]" 1
512 1 32 ALA MB 1 33 PHE QD . . 3.460 2.167 1.983 2.310 . 0 0 "[ . 1 . 2]" 1
513 1 32 ALA MB 1 33 PHE QE . . 4.000 2.836 2.599 3.086 . 0 0 "[ . 1 . 2]" 1
514 1 33 PHE H 1 33 PHE HB2 . . 3.840 2.488 2.416 2.536 . 0 0 "[ . 1 . 2]" 1
515 1 33 PHE H 1 33 PHE QB . . 3.200 2.451 2.383 2.496 . 0 0 "[ . 1 . 2]" 1
516 1 33 PHE H 1 33 PHE HB3 . . 3.840 3.680 3.634 3.717 . 0 0 "[ . 1 . 2]" 1
517 1 33 PHE H 1 33 PHE QD . . 3.580 2.609 2.466 2.748 . 0 0 "[ . 1 . 2]" 1
518 1 33 PHE H 1 34 ILE H . . 3.280 2.028 1.983 2.153 . 0 0 "[ . 1 . 2]" 1
519 1 33 PHE HA 1 33 PHE QD . . 4.270 2.921 2.739 3.021 . 0 0 "[ . 1 . 2]" 1
520 1 33 PHE HA 1 35 PRO HD2 . . 4.370 2.334 2.321 2.349 . 0 0 "[ . 1 . 2]" 1
521 1 33 PHE HA 1 36 PHE QD . . 3.980 2.283 2.016 2.633 . 0 0 "[ . 1 . 2]" 1
522 1 33 PHE HA 1 36 PHE QE . . 4.260 3.076 2.811 3.401 . 0 0 "[ . 1 . 2]" 1
523 1 33 PHE QB 1 36 PHE QD . . 3.910 2.745 2.368 3.410 . 0 0 "[ . 1 . 2]" 1
524 1 33 PHE QB 1 61 PHE HZ . . 3.810 3.060 2.753 3.553 . 0 0 "[ . 1 . 2]" 1
525 1 33 PHE HB2 1 36 PHE QD . . 4.610 4.200 3.931 4.606 . 0 0 "[ . 1 . 2]" 1
526 1 33 PHE HB2 1 39 ILE MD . . 3.440 2.014 1.900 2.162 . 0 0 "[ . 1 . 2]" 1
527 1 33 PHE HB2 1 59 VAL MG1 . . 3.930 3.165 2.888 3.529 . 0 0 "[ . 1 . 2]" 1
528 1 33 PHE HB3 1 36 PHE QD . . 4.610 2.786 2.387 3.514 . 0 0 "[ . 1 . 2]" 1
529 1 33 PHE HB3 1 39 ILE MD . . 3.440 2.742 2.348 3.009 . 0 0 "[ . 1 . 2]" 1
530 1 33 PHE HB3 1 59 VAL MG1 . . 3.930 3.303 3.128 3.541 . 0 0 "[ . 1 . 2]" 1
531 1 33 PHE QD 1 59 VAL MG1 . . 4.730 3.260 3.027 3.496 . 0 0 "[ . 1 . 2]" 1
532 1 33 PHE QD 1 59 VAL MG2 . . 4.540 3.677 3.358 4.042 . 0 0 "[ . 1 . 2]" 1
533 1 33 PHE QD 1 61 PHE QD . . 4.860 4.832 4.725 4.864 0.004 14 0 "[ . 1 . 2]" 1
534 1 33 PHE QD 1 70 ALA MB . . 3.490 3.252 3.022 3.450 . 0 0 "[ . 1 . 2]" 1
535 1 33 PHE QD 1 74 MET ME . . 4.010 3.734 3.458 4.013 0.003 13 0 "[ . 1 . 2]" 1
536 1 33 PHE QE 1 70 ALA MB . . 3.740 3.440 3.036 3.687 . 0 0 "[ . 1 . 2]" 1
537 1 33 PHE QE 1 74 MET HB2 . . 5.010 3.910 3.653 4.157 . 0 0 "[ . 1 . 2]" 1
538 1 33 PHE QE 1 74 MET ME . . 3.560 2.312 1.933 3.073 . 0 0 "[ . 1 . 2]" 1
539 1 33 PHE QE 1 74 MET HG3 . . 4.510 2.530 2.354 2.795 . 0 0 "[ . 1 . 2]" 1
540 1 33 PHE QE 1 84 ILE MD . . 3.780 3.488 3.191 3.768 . 0 0 "[ . 1 . 2]" 1
541 1 33 PHE QE 1 86 VAL MG1 . . 3.490 3.147 2.625 3.467 . 0 0 "[ . 1 . 2]" 1
542 1 33 PHE QE 1 86 VAL MG2 . . 3.650 3.276 2.935 3.651 0.001 14 0 "[ . 1 . 2]" 1
543 1 33 PHE HZ 1 74 MET HB2 . . 5.490 4.202 3.696 4.852 . 0 0 "[ . 1 . 2]" 1
544 1 33 PHE HZ 1 74 MET ME . . 3.800 2.327 2.016 3.058 . 0 0 "[ . 1 . 2]" 1
545 1 33 PHE HZ 1 84 ILE MD . . 3.960 3.060 2.745 3.373 . 0 0 "[ . 1 . 2]" 1
546 1 33 PHE HZ 1 86 VAL MG2 . . 3.760 2.905 2.452 3.187 . 0 0 "[ . 1 . 2]" 1
547 1 34 ILE H 1 34 ILE HB . . 3.450 2.337 2.335 2.341 . 0 0 "[ . 1 . 2]" 1
548 1 34 ILE H 1 34 ILE MD . . 4.020 3.745 3.720 3.829 . 0 0 "[ . 1 . 2]" 1
549 1 34 ILE H 1 34 ILE HG12 . . 4.700 4.651 4.641 4.660 . 0 0 "[ . 1 . 2]" 1
550 1 34 ILE H 1 34 ILE MG . . 3.140 2.541 2.530 2.548 . 0 0 "[ . 1 . 2]" 1
551 1 34 ILE H 1 39 ILE MD . . 3.680 3.085 2.787 3.314 . 0 0 "[ . 1 . 2]" 1
552 1 34 ILE HA 1 34 ILE MD . . 2.910 2.069 1.971 2.183 . 0 0 "[ . 1 . 2]" 1
553 1 34 ILE HA 1 34 ILE MG . . 3.710 3.168 3.167 3.169 . 0 0 "[ . 1 . 2]" 1
554 1 34 ILE HA 1 39 ILE MD . . 3.300 2.755 2.484 3.081 . 0 0 "[ . 1 . 2]" 1
555 1 34 ILE HB 1 34 ILE MD . . 3.610 2.317 2.261 2.362 . 0 0 "[ . 1 . 2]" 1
556 1 34 ILE HB 1 39 ILE MD . . 4.170 3.465 3.285 3.615 . 0 0 "[ . 1 . 2]" 1
557 1 34 ILE MD 1 38 ASP HA . . 3.190 2.975 2.236 3.185 . 0 0 "[ . 1 . 2]" 1
558 1 34 ILE MD 1 39 ILE H . . 3.250 2.967 2.361 3.146 . 0 0 "[ . 1 . 2]" 1
559 1 34 ILE MD 1 39 ILE HB . . 3.980 3.241 2.473 3.561 . 0 0 "[ . 1 . 2]" 1
560 1 34 ILE MD 1 39 ILE MD . . 3.140 2.747 2.324 3.027 . 0 0 "[ . 1 . 2]" 1
561 1 34 ILE MD 1 39 ILE HG12 . . 4.750 4.632 4.155 4.749 . 0 0 "[ . 1 . 2]" 1
562 1 34 ILE MD 1 39 ILE HG13 . . 3.950 3.303 2.782 3.464 . 0 0 "[ . 1 . 2]" 1
563 1 34 ILE MG 1 35 PRO HD2 . . 3.510 3.086 3.083 3.090 . 0 0 "[ . 1 . 2]" 1
564 1 34 ILE MG 1 35 PRO HD3 . . 3.120 1.731 1.727 1.735 . 0 0 "[ . 1 . 2]" 1
565 1 34 ILE MG 1 39 ILE MD . . 4.520 4.411 4.227 4.524 0.004 8 0 "[ . 1 . 2]" 1
566 1 35 PRO HA 1 35 PRO QG . . 3.550 2.911 2.898 2.957 . 0 0 "[ . 1 . 2]" 1
567 1 35 PRO QB 1 36 PHE H . . 3.660 2.155 2.007 2.323 . 0 0 "[ . 1 . 2]" 1
568 1 35 PRO HB2 1 35 PRO HD2 . . 4.240 2.868 2.852 2.939 . 0 0 "[ . 1 . 2]" 1
569 1 35 PRO HB2 1 36 PHE H . . 4.260 2.171 2.019 2.344 . 0 0 "[ . 1 . 2]" 1
570 1 35 PRO HB3 1 35 PRO HD2 . . 4.240 3.848 3.833 3.890 . 0 0 "[ . 1 . 2]" 1
571 1 35 PRO HB3 1 36 PHE H . . 4.260 3.666 3.552 3.791 . 0 0 "[ . 1 . 2]" 1
572 1 35 PRO HD2 1 36 PHE H . . 3.640 2.603 2.442 2.670 . 0 0 "[ . 1 . 2]" 1
573 1 35 PRO HD3 1 36 PHE H . . 4.330 4.037 3.909 4.112 . 0 0 "[ . 1 . 2]" 1
574 1 35 PRO QG 1 36 PHE H . . 3.970 3.529 3.475 3.619 . 0 0 "[ . 1 . 2]" 1
575 1 36 PHE H 1 36 PHE HB2 . . 3.500 2.556 2.458 2.621 . 0 0 "[ . 1 . 2]" 1
576 1 36 PHE H 1 36 PHE HB3 . . 3.720 3.608 3.589 3.625 . 0 0 "[ . 1 . 2]" 1
577 1 36 PHE H 1 36 PHE QE . . 4.420 4.326 3.944 4.426 0.006 6 0 "[ . 1 . 2]" 1
578 1 36 PHE HA 1 36 PHE QD . . 3.830 2.399 2.110 3.067 . 0 0 "[ . 1 . 2]" 1
579 1 36 PHE HB2 1 37 GLY H . . 3.810 2.144 2.008 2.858 . 0 0 "[ . 1 . 2]" 1
580 1 36 PHE HB2 1 70 ALA MB . . 3.790 3.451 2.869 3.678 . 0 0 "[ . 1 . 2]" 1
581 1 36 PHE HB3 1 37 GLY H . . 4.150 3.037 2.844 3.840 . 0 0 "[ . 1 . 2]" 1
582 1 36 PHE HB3 1 69 ALA MB . . 4.430 4.333 4.168 4.433 0.003 8 0 "[ . 1 . 2]" 1
583 1 36 PHE HB3 1 70 ALA H . . 4.480 4.380 4.012 4.479 . 0 0 "[ . 1 . 2]" 1
584 1 36 PHE HB3 1 70 ALA MB . . 3.800 2.852 2.039 3.226 . 0 0 "[ . 1 . 2]" 1
585 1 36 PHE QD 1 69 ALA MB . . 3.690 3.489 3.229 3.685 . 0 0 "[ . 1 . 2]" 1
586 1 36 PHE QD 1 70 ALA HA . . 4.710 3.110 2.299 3.446 . 0 0 "[ . 1 . 2]" 1
587 1 36 PHE QD 1 70 ALA MB . . 4.560 2.902 2.677 3.148 . 0 0 "[ . 1 . 2]" 1
588 1 36 PHE QE 1 73 ASN HB2 . . 4.440 2.681 2.062 3.144 . 0 0 "[ . 1 . 2]" 1
589 1 36 PHE QE 1 73 ASN HB3 . . 4.730 3.396 3.069 3.726 . 0 0 "[ . 1 . 2]" 1
590 1 36 PHE QE 1 74 MET ME . . 3.850 3.439 2.934 3.634 . 0 0 "[ . 1 . 2]" 1
591 1 36 PHE QE 1 74 MET HG2 . . 4.630 2.708 2.283 3.694 . 0 0 "[ . 1 . 2]" 1
592 1 36 PHE QE 1 74 MET HG3 . . 5.460 2.778 2.259 3.881 . 0 0 "[ . 1 . 2]" 1
593 1 36 PHE HZ 1 73 ASN HB2 . . 4.210 3.053 2.755 3.876 . 0 0 "[ . 1 . 2]" 1
594 1 36 PHE HZ 1 73 ASN HB3 . . 4.030 3.272 2.911 3.741 . 0 0 "[ . 1 . 2]" 1
595 1 36 PHE HZ 1 74 MET HG2 . . 4.440 2.300 2.008 3.972 . 0 0 "[ . 1 . 2]" 1
596 1 37 GLY H 1 38 ASP H . . 4.130 4.098 3.980 4.174 0.044 8 0 "[ . 1 . 2]" 1
597 1 37 GLY QA 1 38 ASP H . . 3.110 2.160 2.127 2.178 . 0 0 "[ . 1 . 2]" 1
598 1 38 ASP H 1 38 ASP QB . . 3.150 2.480 2.306 2.642 . 0 0 "[ . 1 . 2]" 1
599 1 38 ASP H 1 40 THR MG . . 5.010 4.948 4.845 5.048 0.038 8 0 "[ . 1 . 2]" 1
600 1 38 ASP H 1 62 GLU QB . . 4.650 2.965 2.574 4.039 . 0 0 "[ . 1 . 2]" 1
601 1 38 ASP HA 1 39 ILE H . . 2.910 2.290 2.172 2.407 . 0 0 "[ . 1 . 2]" 1
602 1 38 ASP HA 1 39 ILE HB . . 4.700 4.582 4.528 4.687 . 0 0 "[ . 1 . 2]" 1
603 1 38 ASP QB 1 39 ILE H . . 4.080 3.844 3.600 4.037 . 0 0 "[ . 1 . 2]" 1
604 1 38 ASP QB 1 40 THR MG . . 4.320 3.820 3.496 3.951 . 0 0 "[ . 1 . 2]" 1
605 1 38 ASP QB 1 62 GLU H . . 4.310 4.138 3.944 4.307 . 0 0 "[ . 1 . 2]" 1
606 1 38 ASP QB 1 62 GLU HB2 . . 4.190 2.608 2.287 4.090 . 0 0 "[ . 1 . 2]" 1
607 1 38 ASP QB 1 62 GLU QB . . 3.600 2.498 2.250 3.079 . 0 0 "[ . 1 . 2]" 1
608 1 38 ASP QB 1 62 GLU HB3 . . 4.190 3.436 3.133 3.882 . 0 0 "[ . 1 . 2]" 1
609 1 38 ASP QB 1 62 GLU QG . . 4.170 3.442 2.518 3.952 . 0 0 "[ . 1 . 2]" 1
610 1 39 ILE H 1 39 ILE HB . . 3.280 2.647 2.590 2.703 . 0 0 "[ . 1 . 2]" 1
611 1 39 ILE H 1 39 ILE MD . . 4.070 3.399 3.286 3.627 . 0 0 "[ . 1 . 2]" 1
612 1 39 ILE H 1 39 ILE HG12 . . 3.980 3.308 3.064 3.431 . 0 0 "[ . 1 . 2]" 1
613 1 39 ILE H 1 39 ILE HG13 . . 4.280 1.931 1.898 1.991 . 0 0 "[ . 1 . 2]" 1
614 1 39 ILE H 1 39 ILE MG . . 3.900 3.772 3.762 3.785 . 0 0 "[ . 1 . 2]" 1
615 1 39 ILE HA 1 39 ILE MD . . 3.940 3.863 3.780 3.910 . 0 0 "[ . 1 . 2]" 1
616 1 39 ILE HA 1 39 ILE HG12 . . 4.190 2.624 2.453 2.732 . 0 0 "[ . 1 . 2]" 1
617 1 39 ILE HA 1 39 ILE HG13 . . 4.070 2.905 2.825 3.084 . 0 0 "[ . 1 . 2]" 1
618 1 39 ILE HA 1 39 ILE MG . . 3.450 2.365 2.255 2.456 . 0 0 "[ . 1 . 2]" 1
619 1 39 ILE HA 1 40 THR H . . 3.300 2.155 2.139 2.231 . 0 0 "[ . 1 . 2]" 1
620 1 39 ILE HA 1 41 ASP H . . 4.260 3.879 3.665 4.063 . 0 0 "[ . 1 . 2]" 1
621 1 39 ILE HA 1 59 VAL MG1 . . 4.490 3.723 3.454 4.120 . 0 0 "[ . 1 . 2]" 1
622 1 39 ILE HA 1 61 PHE HA . . 3.830 2.908 2.651 3.144 . 0 0 "[ . 1 . 2]" 1
623 1 39 ILE HA 1 62 GLU H . . 4.140 3.779 3.390 4.081 . 0 0 "[ . 1 . 2]" 1
624 1 39 ILE HB 1 39 ILE MD . . 3.160 2.310 2.185 2.501 . 0 0 "[ . 1 . 2]" 1
625 1 39 ILE MD 1 42 ILE MD . . 3.240 2.344 1.945 2.764 . 0 0 "[ . 1 . 2]" 1
626 1 39 ILE HG12 1 39 ILE MG . . 3.430 2.291 2.185 2.383 . 0 0 "[ . 1 . 2]" 1
627 1 39 ILE HG12 1 59 VAL MG1 . . 3.480 2.431 2.184 2.814 . 0 0 "[ . 1 . 2]" 1
628 1 39 ILE HG13 1 39 ILE MG . . 3.470 3.186 3.169 3.199 . 0 0 "[ . 1 . 2]" 1
629 1 39 ILE MG 1 40 THR H . . 3.460 2.737 1.937 3.359 . 0 0 "[ . 1 . 2]" 1
630 1 39 ILE MG 1 40 THR HA . . 4.600 4.043 3.671 4.533 . 0 0 "[ . 1 . 2]" 1
631 1 39 ILE MG 1 41 ASP H . . 3.150 2.481 2.114 2.831 . 0 0 "[ . 1 . 2]" 1
632 1 39 ILE MG 1 41 ASP HA . . 3.920 3.331 3.179 3.588 . 0 0 "[ . 1 . 2]" 1
633 1 39 ILE MG 1 42 ILE H . . 4.390 4.071 3.843 4.290 . 0 0 "[ . 1 . 2]" 1
634 1 39 ILE MG 1 42 ILE HG12 . . 3.850 2.469 2.189 2.812 . 0 0 "[ . 1 . 2]" 1
635 1 39 ILE MG 1 42 ILE HG13 . . 3.460 2.103 1.931 2.376 . 0 0 "[ . 1 . 2]" 1
636 1 39 ILE MG 1 59 VAL HA . . 4.820 3.843 3.395 4.220 . 0 0 "[ . 1 . 2]" 1
637 1 39 ILE MG 1 59 VAL MG1 . . 3.200 2.131 1.824 2.556 . 0 0 "[ . 1 . 2]" 1
638 1 39 ILE MG 1 60 GLU H . . 3.850 3.046 2.723 3.383 . 0 0 "[ . 1 . 2]" 1
639 1 39 ILE MG 1 61 PHE HA . . 4.330 4.233 3.906 4.333 0.003 13 0 "[ . 1 . 2]" 1
640 1 40 THR H 1 40 THR HB . . 3.860 3.652 3.616 3.760 . 0 0 "[ . 1 . 2]" 1
641 1 40 THR H 1 40 THR MG . . 3.330 2.303 2.002 2.879 . 0 0 "[ . 1 . 2]" 1
642 1 40 THR H 1 41 ASP H . . 3.240 2.444 1.879 2.872 . 0 0 "[ . 1 . 2]" 1
643 1 40 THR H 1 62 GLU H . . 4.470 3.893 3.590 4.424 . 0 0 "[ . 1 . 2]" 1
644 1 40 THR HA 1 40 THR MG . . 2.950 2.425 2.339 2.516 . 0 0 "[ . 1 . 2]" 1
645 1 40 THR HA 1 41 ASP HA . . 4.690 4.612 4.550 4.642 . 0 0 "[ . 1 . 2]" 1
646 1 40 THR HB 1 41 ASP H . . 3.960 3.703 3.552 3.974 0.014 8 0 "[ . 1 . 2]" 1
647 1 40 THR HB 1 41 ASP HA . . 5.130 5.082 4.989 5.136 0.006 17 0 "[ . 1 . 2]" 1
648 1 40 THR MG 1 41 ASP H . . 4.490 3.844 3.750 4.032 . 0 0 "[ . 1 . 2]" 1
649 1 40 THR MG 1 62 GLU H . . 4.060 3.127 2.703 3.468 . 0 0 "[ . 1 . 2]" 1
650 1 40 THR MG 1 62 GLU HA . . 3.180 2.073 1.887 2.330 . 0 0 "[ . 1 . 2]" 1
651 1 40 THR MG 1 62 GLU QB . . 3.100 2.712 2.004 2.941 . 0 0 "[ . 1 . 2]" 1
652 1 40 THR MG 1 62 GLU QG . . 3.360 3.018 2.668 3.360 0.000 10 0 "[ . 1 . 2]" 1
653 1 41 ASP H 1 42 ILE H . . 4.350 4.320 4.244 4.374 0.024 2 0 "[ . 1 . 2]" 1
654 1 41 ASP H 1 60 GLU H . . 4.280 3.512 3.197 3.745 . 0 0 "[ . 1 . 2]" 1
655 1 41 ASP H 1 60 GLU HB2 . . 4.230 3.494 2.232 4.163 . 0 0 "[ . 1 . 2]" 1
656 1 41 ASP H 1 60 GLU QB . . 3.660 2.310 1.953 2.556 . 0 0 "[ . 1 . 2]" 1
657 1 41 ASP H 1 60 GLU HB3 . . 4.230 2.534 1.963 3.441 . 0 0 "[ . 1 . 2]" 1
658 1 41 ASP HA 1 42 ILE H . . 2.760 2.330 2.241 2.428 . 0 0 "[ . 1 . 2]" 1
659 1 41 ASP HA 1 43 GLN QE . . 4.180 4.057 3.762 4.168 . 0 0 "[ . 1 . 2]" 1
660 1 41 ASP HA 1 60 GLU QB . . 4.720 4.398 4.154 4.634 . 0 0 "[ . 1 . 2]" 1
661 1 41 ASP QB 1 42 ILE H . . 3.630 2.887 2.379 3.511 . 0 0 "[ . 1 . 2]" 1
662 1 41 ASP QB 1 43 GLN QE . . 4.260 2.378 1.865 3.741 . 0 0 "[ . 1 . 2]" 1
663 1 41 ASP QB 1 60 GLU QB . . 3.720 3.077 2.414 3.725 0.005 14 0 "[ . 1 . 2]" 1
664 1 41 ASP HB2 1 42 ILE H . . 4.240 3.714 2.537 4.147 . 0 0 "[ . 1 . 2]" 1
665 1 41 ASP HB3 1 42 ILE H . . 4.240 3.155 2.409 3.808 . 0 0 "[ . 1 . 2]" 1
666 1 42 ILE H 1 42 ILE HB . . 3.330 2.754 2.599 2.874 . 0 0 "[ . 1 . 2]" 1
667 1 42 ILE H 1 42 ILE MD . . 4.180 4.028 3.796 4.158 . 0 0 "[ . 1 . 2]" 1
668 1 42 ILE H 1 42 ILE HG12 . . 4.570 4.152 3.831 4.323 . 0 0 "[ . 1 . 2]" 1
669 1 42 ILE H 1 42 ILE HG13 . . 3.660 2.953 2.605 3.102 . 0 0 "[ . 1 . 2]" 1
670 1 42 ILE H 1 42 ILE MG . . 4.210 3.887 3.808 3.941 . 0 0 "[ . 1 . 2]" 1
671 1 42 ILE H 1 43 GLN H . . 4.450 4.397 4.197 4.459 0.009 9 0 "[ . 1 . 2]" 1
672 1 42 ILE H 1 59 VAL MG1 . . 5.500 5.425 5.265 5.494 . 0 0 "[ . 1 . 2]" 1
673 1 42 ILE HA 1 42 ILE MD . . 3.900 3.869 3.805 3.909 0.009 2 0 "[ . 1 . 2]" 1
674 1 42 ILE HA 1 42 ILE HG12 . . 4.170 2.635 2.480 2.725 . 0 0 "[ . 1 . 2]" 1
675 1 42 ILE HA 1 42 ILE HG13 . . 4.130 2.911 2.792 3.104 . 0 0 "[ . 1 . 2]" 1
676 1 42 ILE HA 1 42 ILE MG . . 3.160 2.362 2.264 2.439 . 0 0 "[ . 1 . 2]" 1
677 1 42 ILE HA 1 43 GLN H . . 3.230 2.233 2.146 2.284 . 0 0 "[ . 1 . 2]" 1
678 1 42 ILE HA 1 58 PHE H . . 5.500 5.134 4.803 5.405 . 0 0 "[ . 1 . 2]" 1
679 1 42 ILE HA 1 59 VAL HA . . 4.110 2.639 2.515 2.746 . 0 0 "[ . 1 . 2]" 1
680 1 42 ILE HA 1 59 VAL MG1 . . 4.020 3.761 3.545 3.927 . 0 0 "[ . 1 . 2]" 1
681 1 42 ILE HA 1 59 VAL MG2 . . 4.110 3.963 3.684 4.087 . 0 0 "[ . 1 . 2]" 1
682 1 42 ILE HA 1 60 GLU H . . 4.490 3.075 2.836 3.368 . 0 0 "[ . 1 . 2]" 1
683 1 42 ILE HB 1 42 ILE MD . . 2.940 2.296 2.178 2.378 . 0 0 "[ . 1 . 2]" 1
684 1 42 ILE HB 1 43 GLN H . . 4.320 3.927 3.754 4.178 . 0 0 "[ . 1 . 2]" 1
685 1 42 ILE MD 1 43 GLN H . . 5.470 4.906 4.689 5.225 . 0 0 "[ . 1 . 2]" 1
686 1 42 ILE MD 1 59 VAL HA . . 4.630 4.181 3.861 4.482 . 0 0 "[ . 1 . 2]" 1
687 1 42 ILE MD 1 60 GLU H . . 5.500 4.748 4.527 4.995 . 0 0 "[ . 1 . 2]" 1
688 1 42 ILE HG12 1 59 VAL HA . . 4.310 2.685 2.394 2.984 . 0 0 "[ . 1 . 2]" 1
689 1 42 ILE HG12 1 59 VAL MG1 . . 3.250 2.182 1.986 2.373 . 0 0 "[ . 1 . 2]" 1
690 1 42 ILE HG12 1 59 VAL MG2 . . 3.080 2.818 2.212 3.075 . 0 0 "[ . 1 . 2]" 1
691 1 42 ILE HG12 1 60 GLU H . . 4.230 3.371 3.084 3.651 . 0 0 "[ . 1 . 2]" 1
692 1 42 ILE HG13 1 59 VAL HA . . 4.610 4.022 3.756 4.437 . 0 0 "[ . 1 . 2]" 1
693 1 42 ILE HG13 1 59 VAL MG1 . . 3.820 3.284 2.965 3.682 . 0 0 "[ . 1 . 2]" 1
694 1 42 ILE HG13 1 60 GLU H . . 4.600 3.911 3.650 4.471 . 0 0 "[ . 1 . 2]" 1
695 1 42 ILE MG 1 43 GLN H . . 3.340 2.075 1.882 2.695 . 0 0 "[ . 1 . 2]" 1
696 1 42 ILE MG 1 44 ILE H . . 4.650 4.204 3.910 4.563 . 0 0 "[ . 1 . 2]" 1
697 1 42 ILE MG 1 44 ILE HG12 . . 3.330 2.628 2.269 3.102 . 0 0 "[ . 1 . 2]" 1
698 1 42 ILE MG 1 58 PHE H . . 4.320 3.485 3.155 3.841 . 0 0 "[ . 1 . 2]" 1
699 1 42 ILE MG 1 59 VAL HA . . 4.100 2.851 2.588 3.159 . 0 0 "[ . 1 . 2]" 1
700 1 43 GLN H 1 43 GLN HB2 . . 3.780 2.529 2.396 2.694 . 0 0 "[ . 1 . 2]" 1
701 1 43 GLN H 1 43 GLN HB3 . . 4.100 3.691 3.619 3.798 . 0 0 "[ . 1 . 2]" 1
702 1 43 GLN H 1 43 GLN HG2 . . 4.750 4.304 3.070 4.586 . 0 0 "[ . 1 . 2]" 1
703 1 43 GLN H 1 43 GLN HG3 . . 4.750 4.195 3.790 4.643 . 0 0 "[ . 1 . 2]" 1
704 1 43 GLN H 1 44 ILE H . . 4.510 4.372 4.302 4.535 0.025 12 0 "[ . 1 . 2]" 1
705 1 43 GLN H 1 44 ILE MD . . 4.590 4.220 3.894 4.465 . 0 0 "[ . 1 . 2]" 1
706 1 43 GLN H 1 57 ALA MB . . 4.170 4.077 3.978 4.171 0.001 12 0 "[ . 1 . 2]" 1
707 1 43 GLN H 1 58 PHE H . . 3.830 3.303 3.068 3.448 . 0 0 "[ . 1 . 2]" 1
708 1 43 GLN H 1 58 PHE QB . . 4.370 3.349 3.023 3.613 . 0 0 "[ . 1 . 2]" 1
709 1 43 GLN H 1 59 VAL HA . . 4.350 3.552 3.292 3.800 . 0 0 "[ . 1 . 2]" 1
710 1 43 GLN H 1 59 VAL MG1 . . 5.400 5.097 4.855 5.356 . 0 0 "[ . 1 . 2]" 1
711 1 43 GLN H 1 59 VAL MG2 . . 4.510 4.213 3.798 4.514 0.004 12 0 "[ . 1 . 2]" 1
712 1 43 GLN HA 1 43 GLN HG2 . . 4.180 3.634 3.351 3.730 . 0 0 "[ . 1 . 2]" 1
713 1 43 GLN HA 1 43 GLN HG3 . . 4.180 2.554 2.290 3.498 . 0 0 "[ . 1 . 2]" 1
714 1 43 GLN HA 1 44 ILE H . . 2.910 2.166 2.143 2.220 . 0 0 "[ . 1 . 2]" 1
715 1 43 GLN HA 1 44 ILE HB . . 4.820 4.593 4.525 4.720 . 0 0 "[ . 1 . 2]" 1
716 1 43 GLN HA 1 58 PHE H . . 5.500 5.003 4.931 5.134 . 0 0 "[ . 1 . 2]" 1
717 1 43 GLN HB2 1 43 GLN HE21 . . 4.760 3.560 2.270 4.340 . 0 0 "[ . 1 . 2]" 1
718 1 43 GLN HB2 1 43 GLN HE22 . . 4.760 4.282 3.759 4.823 0.063 12 0 "[ . 1 . 2]" 1
719 1 43 GLN HB2 1 44 ILE H . . 4.370 4.252 4.085 4.364 . 0 0 "[ . 1 . 2]" 1
720 1 43 GLN HB2 1 58 PHE H . . 4.190 3.579 3.204 4.011 . 0 0 "[ . 1 . 2]" 1
721 1 43 GLN HB2 1 58 PHE HB2 . . 4.470 2.342 2.002 2.640 . 0 0 "[ . 1 . 2]" 1
722 1 43 GLN HB2 1 58 PHE HB3 . . 4.470 3.922 3.561 4.181 . 0 0 "[ . 1 . 2]" 1
723 1 43 GLN HB2 1 58 PHE QD . . 4.250 3.330 2.506 3.961 . 0 0 "[ . 1 . 2]" 1
724 1 43 GLN HB3 1 44 ILE H . . 4.120 3.232 2.951 3.386 . 0 0 "[ . 1 . 2]" 1
725 1 43 GLN HB3 1 58 PHE H . . 4.630 4.438 3.979 4.631 0.001 9 0 "[ . 1 . 2]" 1
726 1 43 GLN HB3 1 58 PHE QB . . 4.600 3.661 3.289 3.853 . 0 0 "[ . 1 . 2]" 1
727 1 43 GLN QG 1 44 ILE H . . 4.380 3.979 3.801 4.370 . 0 0 "[ . 1 . 2]" 1
728 1 44 ILE H 1 44 ILE HB . . 3.500 2.672 2.557 2.815 . 0 0 "[ . 1 . 2]" 1
729 1 44 ILE H 1 44 ILE MD . . 4.920 3.937 3.802 4.065 . 0 0 "[ . 1 . 2]" 1
730 1 44 ILE H 1 44 ILE HG12 . . 3.730 2.840 2.559 2.984 . 0 0 "[ . 1 . 2]" 1
731 1 44 ILE H 1 44 ILE HG13 . . 4.630 4.072 3.856 4.241 . 0 0 "[ . 1 . 2]" 1
732 1 44 ILE H 1 44 ILE MG . . 3.960 3.860 3.798 3.926 . 0 0 "[ . 1 . 2]" 1
733 1 44 ILE H 1 45 PRO HA . . 5.050 4.956 4.661 5.061 0.011 17 0 "[ . 1 . 2]" 1
734 1 44 ILE H 1 45 PRO QD . . 4.540 4.064 3.666 4.173 . 0 0 "[ . 1 . 2]" 1
735 1 44 ILE HA 1 44 ILE MD . . 3.750 2.188 1.989 2.343 . 0 0 "[ . 1 . 2]" 1
736 1 44 ILE HA 1 44 ILE HG12 . . 4.220 2.916 2.800 3.020 . 0 0 "[ . 1 . 2]" 1
737 1 44 ILE HA 1 44 ILE HG13 . . 4.100 3.757 3.706 3.824 . 0 0 "[ . 1 . 2]" 1
738 1 44 ILE HA 1 44 ILE MG . . 3.200 2.339 2.206 2.470 . 0 0 "[ . 1 . 2]" 1
739 1 44 ILE HA 1 45 PRO HD2 . . 3.590 1.977 1.912 2.038 . 0 0 "[ . 1 . 2]" 1
740 1 44 ILE HA 1 45 PRO HD3 . . 3.590 2.338 2.280 2.523 . 0 0 "[ . 1 . 2]" 1
741 1 44 ILE HB 1 44 ILE MD . . 3.260 3.207 3.194 3.217 . 0 0 "[ . 1 . 2]" 1
742 1 44 ILE MD 1 56 PHE H . . 5.150 5.029 4.739 5.148 . 0 0 "[ . 1 . 2]" 1
743 1 44 ILE MD 1 58 PHE H . . 4.290 3.558 3.307 3.894 . 0 0 "[ . 1 . 2]" 1
744 1 44 ILE HG12 1 44 ILE MG . . 3.610 3.186 3.172 3.201 . 0 0 "[ . 1 . 2]" 1
745 1 44 ILE HG12 1 57 ALA MB . . 3.640 3.440 3.117 3.583 . 0 0 "[ . 1 . 2]" 1
746 1 44 ILE HG13 1 57 ALA MB . . 4.420 4.069 3.911 4.169 . 0 0 "[ . 1 . 2]" 1
747 1 44 ILE MG 1 45 PRO HD2 . . 4.480 2.238 1.964 2.831 . 0 0 "[ . 1 . 2]" 1
748 1 44 ILE MG 1 45 PRO QD . . 3.710 2.215 1.952 2.780 . 0 0 "[ . 1 . 2]" 1
749 1 44 ILE MG 1 45 PRO HD3 . . 4.480 3.598 3.389 4.061 . 0 0 "[ . 1 . 2]" 1
750 1 44 ILE MG 1 53 HIS HA . . 4.440 4.207 3.866 4.438 . 0 0 "[ . 1 . 2]" 1
751 1 44 ILE MG 1 53 HIS HB2 . . 3.400 3.101 2.883 3.332 . 0 0 "[ . 1 . 2]" 1
752 1 44 ILE MG 1 53 HIS HB3 . . 3.400 2.558 2.305 2.855 . 0 0 "[ . 1 . 2]" 1
753 1 44 ILE MG 1 53 HIS HD2 . . 3.970 3.256 2.540 3.809 . 0 0 "[ . 1 . 2]" 1
754 1 44 ILE MG 1 56 PHE H . . 5.070 4.820 4.470 4.997 . 0 0 "[ . 1 . 2]" 1
755 1 45 PRO HA 1 46 LEU H . . 2.880 2.178 2.151 2.252 . 0 0 "[ . 1 . 2]" 1
756 1 45 PRO HA 1 46 LEU MD2 . . 4.670 4.539 4.296 4.675 0.005 20 0 "[ . 1 . 2]" 1
757 1 45 PRO HA 1 46 LEU HG . . 4.550 4.124 3.768 4.529 . 0 0 "[ . 1 . 2]" 1
758 1 45 PRO QB 1 46 LEU H . . 3.770 3.558 3.396 3.751 . 0 0 "[ . 1 . 2]" 1
759 1 45 PRO HB2 1 46 LEU H . . 4.490 3.835 3.637 4.071 . 0 0 "[ . 1 . 2]" 1
760 1 45 PRO HB3 1 46 LEU H . . 4.490 4.215 4.072 4.394 . 0 0 "[ . 1 . 2]" 1
761 1 45 PRO QD 1 57 ALA HA . . 3.830 2.213 1.918 2.640 . 0 0 "[ . 1 . 2]" 1
762 1 45 PRO QD 1 57 ALA MB . . 4.080 2.602 2.160 3.332 . 0 0 "[ . 1 . 2]" 1
763 1 45 PRO QD 1 58 PHE H . . 4.110 3.552 2.997 3.947 . 0 0 "[ . 1 . 2]" 1
764 1 45 PRO HD2 1 57 ALA MB . . 4.660 2.746 2.234 3.493 . 0 0 "[ . 1 . 2]" 1
765 1 45 PRO HD2 1 58 PHE H . . 4.750 4.449 3.981 4.747 . 0 0 "[ . 1 . 2]" 1
766 1 45 PRO HD3 1 57 ALA MB . . 4.660 3.237 2.768 4.208 . 0 0 "[ . 1 . 2]" 1
767 1 45 PRO HD3 1 58 PHE H . . 4.750 3.743 3.100 4.350 . 0 0 "[ . 1 . 2]" 1
768 1 45 PRO QG 1 46 LEU H . . 4.780 4.734 4.694 4.753 . 0 0 "[ . 1 . 2]" 1
769 1 45 PRO QG 1 56 PHE QE . . 3.870 2.358 1.963 2.791 . 0 0 "[ . 1 . 2]" 1
770 1 45 PRO QG 1 56 PHE HZ . . 4.740 3.331 2.259 4.178 . 0 0 "[ . 1 . 2]" 1
771 1 45 PRO QG 1 57 ALA HA . . 4.260 3.106 2.558 3.735 . 0 0 "[ . 1 . 2]" 1
772 1 46 LEU H 1 46 LEU HB2 . . 3.940 2.695 2.495 2.883 . 0 0 "[ . 1 . 2]" 1
773 1 46 LEU H 1 46 LEU QB . . 3.270 2.641 2.457 2.811 . 0 0 "[ . 1 . 2]" 1
774 1 46 LEU H 1 46 LEU HB3 . . 3.940 3.803 3.690 3.896 . 0 0 "[ . 1 . 2]" 1
775 1 46 LEU H 1 46 LEU MD1 . . 4.390 4.166 3.946 4.320 . 0 0 "[ . 1 . 2]" 1
776 1 46 LEU H 1 46 LEU MD2 . . 3.900 3.732 3.489 3.895 . 0 0 "[ . 1 . 2]" 1
777 1 46 LEU H 1 46 LEU HG . . 3.790 3.051 2.813 3.312 . 0 0 "[ . 1 . 2]" 1
778 1 46 LEU H 1 47 ASP H . . 4.680 4.449 4.380 4.512 . 0 0 "[ . 1 . 2]" 1
779 1 46 LEU HA 1 46 LEU MD1 . . 4.060 3.855 3.756 3.958 . 0 0 "[ . 1 . 2]" 1
780 1 46 LEU HA 1 46 LEU MD2 . . 3.070 2.146 1.951 2.452 . 0 0 "[ . 1 . 2]" 1
781 1 46 LEU HA 1 53 HIS HA . . 4.430 3.282 3.017 3.661 . 0 0 "[ . 1 . 2]" 1
782 1 46 LEU QB 1 46 LEU MD1 . . 2.940 2.070 2.034 2.095 . 0 0 "[ . 1 . 2]" 1
783 1 46 LEU QB 1 47 ASP H . . 3.850 2.490 2.134 3.071 . 0 0 "[ . 1 . 2]" 1
784 1 46 LEU QB 1 51 GLU HA . . 3.970 2.050 2.001 2.148 . 0 0 "[ . 1 . 2]" 1
785 1 46 LEU HB2 1 46 LEU MD1 . . 3.530 2.399 2.255 2.512 . 0 0 "[ . 1 . 2]" 1
786 1 46 LEU HB2 1 47 ASP H . . 4.470 3.651 3.392 4.150 . 0 0 "[ . 1 . 2]" 1
787 1 46 LEU HB2 1 51 GLU HA . . 4.760 3.368 2.998 3.649 . 0 0 "[ . 1 . 2]" 1
788 1 46 LEU HB3 1 46 LEU MD1 . . 3.530 2.278 2.151 2.448 . 0 0 "[ . 1 . 2]" 1
789 1 46 LEU HB3 1 47 ASP H . . 4.470 2.536 2.157 3.165 . 0 0 "[ . 1 . 2]" 1
790 1 46 LEU HB3 1 51 GLU HA . . 4.760 2.069 2.022 2.163 . 0 0 "[ . 1 . 2]" 1
791 1 46 LEU MD1 1 51 GLU H . . 5.480 5.373 5.106 5.480 . 0 0 "[ . 1 . 2]" 1
792 1 46 LEU MD1 1 51 GLU HA . . 3.850 3.470 3.140 3.683 . 0 0 "[ . 1 . 2]" 1
793 1 46 LEU MD1 1 51 GLU QB . . 4.010 2.569 2.094 3.039 . 0 0 "[ . 1 . 2]" 1
794 1 46 LEU MD1 1 51 GLU QG . . 4.630 3.903 3.470 4.591 . 0 0 "[ . 1 . 2]" 1
795 1 46 LEU MD1 1 52 LYS HA . . 4.470 3.990 3.687 4.308 . 0 0 "[ . 1 . 2]" 1
796 1 46 LEU MD2 1 47 ASP H . . 3.920 3.417 3.137 3.699 . 0 0 "[ . 1 . 2]" 1
797 1 46 LEU MD2 1 51 GLU H . . 5.240 5.133 4.985 5.241 0.001 20 0 "[ . 1 . 2]" 1
798 1 46 LEU MD2 1 51 GLU HA . . 4.240 3.630 3.384 3.772 . 0 0 "[ . 1 . 2]" 1
799 1 46 LEU MD2 1 52 LYS H . . 4.240 3.478 3.249 3.762 . 0 0 "[ . 1 . 2]" 1
800 1 46 LEU MD2 1 52 LYS HA . . 3.650 2.342 2.058 2.779 . 0 0 "[ . 1 . 2]" 1
801 1 46 LEU MD2 1 53 HIS H . . 4.000 2.666 2.277 2.916 . 0 0 "[ . 1 . 2]" 1
802 1 46 LEU MD2 1 53 HIS HA . . 3.380 2.748 2.164 3.062 . 0 0 "[ . 1 . 2]" 1
803 1 46 LEU MD2 1 53 HIS HB2 . . 3.840 3.208 2.828 3.669 . 0 0 "[ . 1 . 2]" 1
804 1 46 LEU MD2 1 53 HIS QB . . 3.340 2.041 1.852 2.257 . 0 0 "[ . 1 . 2]" 1
805 1 46 LEU MD2 1 53 HIS HB3 . . 3.840 2.065 1.877 2.284 . 0 0 "[ . 1 . 2]" 1
806 1 46 LEU MD2 1 53 HIS HD2 . . 4.360 3.504 2.752 3.876 . 0 0 "[ . 1 . 2]" 1
807 1 46 LEU MD2 1 54 ARG H . . 4.810 4.625 4.017 4.811 0.001 10 0 "[ . 1 . 2]" 1
808 1 47 ASP H 1 47 ASP HB2 . . 3.770 2.394 2.204 2.545 . 0 0 "[ . 1 . 2]" 1
809 1 47 ASP H 1 47 ASP HB3 . . 3.770 2.985 2.749 3.553 . 0 0 "[ . 1 . 2]" 1
810 1 47 ASP H 1 52 LYS H . . 3.980 2.523 2.266 2.876 . 0 0 "[ . 1 . 2]" 1
811 1 47 ASP H 1 53 HIS HA . . 5.250 4.872 4.524 5.186 . 0 0 "[ . 1 . 2]" 1
812 1 47 ASP QB 1 49 GLU H . . 4.560 2.459 2.081 2.915 . 0 0 "[ . 1 . 2]" 1
813 1 47 ASP QB 1 50 THR H . . 4.020 2.127 1.909 2.339 . 0 0 "[ . 1 . 2]" 1
814 1 47 ASP QB 1 50 THR MG . . 4.230 3.737 3.475 3.939 . 0 0 "[ . 1 . 2]" 1
815 1 47 ASP QB 1 51 GLU H . . 4.290 2.054 1.887 2.248 . 0 0 "[ . 1 . 2]" 1
816 1 47 ASP QB 1 52 LYS H . . 3.580 2.859 2.254 3.311 . 0 0 "[ . 1 . 2]" 1
817 1 47 ASP HB2 1 50 THR H . . 4.740 3.478 2.610 3.973 . 0 0 "[ . 1 . 2]" 1
818 1 47 ASP HB2 1 52 LYS H . . 4.200 3.176 2.267 3.791 . 0 0 "[ . 1 . 2]" 1
819 1 47 ASP HB3 1 50 THR H . . 4.740 2.174 1.918 2.534 . 0 0 "[ . 1 . 2]" 1
820 1 47 ASP HB3 1 52 LYS H . . 4.200 3.540 3.109 4.197 . 0 0 "[ . 1 . 2]" 1
821 1 48 TYR H 1 48 TYR HB2 . . 4.170 3.626 3.277 3.737 . 0 0 "[ . 1 . 2]" 1
822 1 48 TYR H 1 48 TYR HB3 . . 4.170 2.795 2.302 3.211 . 0 0 "[ . 1 . 2]" 1
823 1 48 TYR HA 1 48 TYR QD . . 3.900 3.645 3.371 3.736 . 0 0 "[ . 1 . 2]" 1
824 1 48 TYR HA 1 51 GLU H . . 4.700 4.203 3.943 4.534 . 0 0 "[ . 1 . 2]" 1
825 1 48 TYR HB2 1 49 GLU H . . 4.450 4.211 3.808 4.438 . 0 0 "[ . 1 . 2]" 1
826 1 48 TYR HB3 1 49 GLU H . . 4.450 4.116 3.075 4.436 . 0 0 "[ . 1 . 2]" 1
827 1 48 TYR QD 1 49 GLU H . . 4.370 3.549 2.632 3.823 . 0 0 "[ . 1 . 2]" 1
828 1 48 TYR QD 1 49 GLU HA . . 4.740 3.798 2.646 4.423 . 0 0 "[ . 1 . 2]" 1
829 1 48 TYR QD 1 49 GLU QB . . 5.340 3.922 3.294 4.342 . 0 0 "[ . 1 . 2]" 1
830 1 48 TYR QD 1 49 GLU QG . . 5.340 2.881 1.989 3.963 . 0 0 "[ . 1 . 2]" 1
831 1 48 TYR QE 1 49 GLU H . . 4.840 4.680 4.315 4.845 0.005 12 0 "[ . 1 . 2]" 1
832 1 49 GLU H 1 49 GLU HB2 . . 3.700 2.960 2.264 3.733 0.033 12 0 "[ . 1 . 2]" 1
833 1 49 GLU H 1 49 GLU HB3 . . 3.700 3.465 3.041 3.700 0.000 3 0 "[ . 1 . 2]" 1
834 1 49 GLU H 1 49 GLU HG2 . . 3.990 2.989 2.046 3.962 . 0 0 "[ . 1 . 2]" 1
835 1 49 GLU H 1 49 GLU HG3 . . 3.990 2.952 1.868 3.963 . 0 0 "[ . 1 . 2]" 1
836 1 49 GLU H 1 50 THR H . . 3.220 2.080 1.853 2.430 . 0 0 "[ . 1 . 2]" 1
837 1 49 GLU H 1 50 THR MG . . 4.330 4.221 4.000 4.331 0.001 5 0 "[ . 1 . 2]" 1
838 1 49 GLU H 1 51 GLU H . . 3.970 3.086 2.836 3.527 . 0 0 "[ . 1 . 2]" 1
839 1 49 GLU QB 1 50 THR H . . 3.520 2.961 2.384 3.545 0.025 12 0 "[ . 1 . 2]" 1
840 1 49 GLU QB 1 50 THR MG . . 3.310 2.889 2.591 3.325 0.015 12 0 "[ . 1 . 2]" 1
841 1 49 GLU HB2 1 50 THR H . . 4.280 3.108 2.430 3.847 . 0 0 "[ . 1 . 2]" 1
842 1 49 GLU HB3 1 50 THR H . . 4.280 3.783 3.286 4.273 . 0 0 "[ . 1 . 2]" 1
843 1 49 GLU QG 1 50 THR H . . 4.670 3.305 1.920 4.403 . 0 0 "[ . 1 . 2]" 1
844 1 49 GLU QG 1 50 THR MG . . 4.800 3.749 2.177 4.733 . 0 0 "[ . 1 . 2]" 1
845 1 50 THR H 1 50 THR MG . . 3.210 2.771 2.473 3.080 . 0 0 "[ . 1 . 2]" 1
846 1 50 THR H 1 51 GLU H . . 3.320 1.982 1.803 2.141 . 0 0 "[ . 1 . 2]" 1
847 1 50 THR H 1 51 GLU HA . . 4.350 4.230 4.063 4.353 0.003 19 0 "[ . 1 . 2]" 1
848 1 50 THR H 1 51 GLU QG . . 4.930 4.049 3.500 4.912 . 0 0 "[ . 1 . 2]" 1
849 1 50 THR H 1 52 LYS H . . 4.350 4.032 3.825 4.197 . 0 0 "[ . 1 . 2]" 1
850 1 50 THR HA 1 50 THR MG . . 2.860 2.363 2.274 2.447 . 0 0 "[ . 1 . 2]" 1
851 1 50 THR HB 1 51 GLU H . . 4.500 3.933 3.716 4.083 . 0 0 "[ . 1 . 2]" 1
852 1 50 THR HB 1 52 LYS H . . 3.780 3.367 3.026 3.755 . 0 0 "[ . 1 . 2]" 1
853 1 50 THR HB 1 52 LYS QB . . 4.220 3.043 2.742 3.764 . 0 0 "[ . 1 . 2]" 1
854 1 50 THR HB 1 52 LYS HD2 . . 4.890 4.053 2.356 4.826 . 0 0 "[ . 1 . 2]" 1
855 1 50 THR HB 1 52 LYS QD . . 4.270 3.054 2.104 4.181 . 0 0 "[ . 1 . 2]" 1
856 1 50 THR HB 1 52 LYS HD3 . . 4.890 3.428 2.114 4.820 . 0 0 "[ . 1 . 2]" 1
857 1 50 THR HB 1 52 LYS QE . . 4.340 3.048 2.071 4.083 . 0 0 "[ . 1 . 2]" 1
858 1 50 THR HB 1 52 LYS HG2 . . 4.620 3.135 2.066 4.197 . 0 0 "[ . 1 . 2]" 1
859 1 50 THR HB 1 52 LYS QG . . 3.930 2.339 2.046 3.115 . 0 0 "[ . 1 . 2]" 1
860 1 50 THR HB 1 52 LYS HG3 . . 4.620 3.174 2.055 4.598 . 0 0 "[ . 1 . 2]" 1
861 1 50 THR MG 1 51 GLU H . . 4.210 4.035 3.859 4.176 . 0 0 "[ . 1 . 2]" 1
862 1 50 THR MG 1 52 LYS H . . 4.560 4.424 4.269 4.553 . 0 0 "[ . 1 . 2]" 1
863 1 50 THR MG 1 52 LYS QE . . 4.490 3.211 2.095 4.477 . 0 0 "[ . 1 . 2]" 1
864 1 51 GLU H 1 51 GLU QB . . 3.860 3.209 2.842 3.477 . 0 0 "[ . 1 . 2]" 1
865 1 51 GLU H 1 51 GLU QG . . 3.620 2.879 2.459 3.343 . 0 0 "[ . 1 . 2]" 1
866 1 51 GLU H 1 52 LYS H . . 3.160 2.757 2.497 2.967 . 0 0 "[ . 1 . 2]" 1
867 1 51 GLU H 1 52 LYS QB . . 4.860 4.795 4.638 4.866 0.006 13 0 "[ . 1 . 2]" 1
868 1 51 GLU H 1 52 LYS QG . . 4.640 4.305 3.844 4.631 . 0 0 "[ . 1 . 2]" 1
869 1 51 GLU HA 1 51 GLU QG . . 3.430 2.629 2.195 3.339 . 0 0 "[ . 1 . 2]" 1
870 1 51 GLU HA 1 52 LYS H . . 3.510 2.868 2.776 2.980 . 0 0 "[ . 1 . 2]" 1
871 1 51 GLU QB 1 52 LYS H . . 4.220 3.857 3.765 4.048 . 0 0 "[ . 1 . 2]" 1
872 1 52 LYS H 1 52 LYS HB2 . . 3.760 3.137 2.397 3.778 0.018 4 0 "[ . 1 . 2]" 1
873 1 52 LYS H 1 52 LYS QB . . 3.120 2.625 2.365 2.873 . 0 0 "[ . 1 . 2]" 1
874 1 52 LYS H 1 52 LYS HB3 . . 3.760 3.276 2.791 3.742 . 0 0 "[ . 1 . 2]" 1
875 1 52 LYS H 1 52 LYS HG2 . . 3.870 2.968 2.079 3.867 . 0 0 "[ . 1 . 2]" 1
876 1 52 LYS H 1 52 LYS QG . . 3.390 2.558 2.063 3.062 . 0 0 "[ . 1 . 2]" 1
877 1 52 LYS H 1 52 LYS HG3 . . 3.870 3.215 2.524 3.581 . 0 0 "[ . 1 . 2]" 1
878 1 52 LYS HA 1 52 LYS HD2 . . 5.000 4.474 2.509 4.962 . 0 0 "[ . 1 . 2]" 1
879 1 52 LYS HA 1 52 LYS HD3 . . 5.000 4.490 3.699 4.889 . 0 0 "[ . 1 . 2]" 1
880 1 52 LYS HA 1 52 LYS HG2 . . 4.030 3.114 2.268 3.899 . 0 0 "[ . 1 . 2]" 1
881 1 52 LYS HA 1 52 LYS HG3 . . 4.030 3.509 2.934 3.849 . 0 0 "[ . 1 . 2]" 1
882 1 52 LYS QB 1 53 HIS H . . 3.800 2.708 2.346 3.082 . 0 0 "[ . 1 . 2]" 1
883 1 52 LYS HB2 1 53 HIS H . . 4.480 3.325 2.594 4.233 . 0 0 "[ . 1 . 2]" 1
884 1 52 LYS HB3 1 53 HIS H . . 4.480 3.388 2.376 4.206 . 0 0 "[ . 1 . 2]" 1
885 1 53 HIS H 1 53 HIS HD2 . . 4.440 3.377 1.998 3.656 . 0 0 "[ . 1 . 2]" 1
886 1 53 HIS HA 1 53 HIS HD2 . . 5.260 4.891 4.346 4.991 . 0 0 "[ . 1 . 2]" 1
887 1 53 HIS QB 1 54 ARG H . . 4.330 2.736 2.465 2.974 . 0 0 "[ . 1 . 2]" 1
888 1 53 HIS QB 1 56 PHE H . . 4.570 3.237 2.667 3.588 . 0 0 "[ . 1 . 2]" 1
889 1 53 HIS HD2 1 56 PHE H . . 5.500 5.438 5.202 5.501 0.001 5 0 "[ . 1 . 2]" 1
890 1 53 HIS HE1 1 55 GLY HA2 . . 4.430 2.280 2.006 3.027 . 0 0 "[ . 1 . 2]" 1
891 1 53 HIS HE1 1 55 GLY QA . . 3.810 2.257 1.992 2.971 . 0 0 "[ . 1 . 2]" 1
892 1 53 HIS HE1 1 55 GLY HA3 . . 4.430 3.665 3.293 4.318 . 0 0 "[ . 1 . 2]" 1
893 1 54 ARG H 1 54 ARG QG . . 4.580 3.461 2.371 4.096 . 0 0 "[ . 1 . 2]" 1
894 1 54 ARG H 1 56 PHE H . . 4.230 3.964 3.692 4.219 . 0 0 "[ . 1 . 2]" 1
895 1 54 ARG HA 1 54 ARG HG2 . . 4.220 2.928 2.317 3.827 . 0 0 "[ . 1 . 2]" 1
896 1 54 ARG HA 1 54 ARG HG3 . . 4.220 3.009 2.243 3.802 . 0 0 "[ . 1 . 2]" 1
897 1 54 ARG QB 1 54 ARG QD . . 3.110 2.156 2.033 2.299 . 0 0 "[ . 1 . 2]" 1
898 1 54 ARG QB 1 56 PHE H . . 4.590 4.391 4.137 4.589 . 0 0 "[ . 1 . 2]" 1
899 1 54 ARG QB 1 56 PHE QD . . 4.690 2.915 2.124 3.639 . 0 0 "[ . 1 . 2]" 1
900 1 54 ARG QB 1 56 PHE QE . . 3.830 2.165 1.972 2.519 . 0 0 "[ . 1 . 2]" 1
901 1 54 ARG HB2 1 54 ARG HD2 . . 4.110 3.202 2.131 4.105 . 0 0 "[ . 1 . 2]" 1
902 1 54 ARG HB2 1 54 ARG HD3 . . 4.110 3.166 2.159 4.202 0.092 7 0 "[ . 1 . 2]" 1
903 1 54 ARG HB2 1 56 PHE QE . . 4.360 2.675 2.003 3.625 . 0 0 "[ . 1 . 2]" 1
904 1 54 ARG HB3 1 54 ARG HD2 . . 4.110 3.140 2.163 3.929 . 0 0 "[ . 1 . 2]" 1
905 1 54 ARG HB3 1 54 ARG HD3 . . 4.110 3.008 2.116 4.108 . 0 0 "[ . 1 . 2]" 1
906 1 54 ARG HB3 1 56 PHE QE . . 4.360 2.775 2.008 4.112 . 0 0 "[ . 1 . 2]" 1
907 1 54 ARG QD 1 56 PHE QE . . 4.560 3.723 2.582 4.514 . 0 0 "[ . 1 . 2]" 1
908 1 56 PHE H 1 56 PHE QD . . 3.620 2.968 2.302 3.535 . 0 0 "[ . 1 . 2]" 1
909 1 56 PHE H 1 56 PHE QE . . 4.760 4.498 4.275 4.703 . 0 0 "[ . 1 . 2]" 1
910 1 56 PHE H 1 57 ALA H . . 4.460 4.337 4.296 4.361 . 0 0 "[ . 1 . 2]" 1
911 1 56 PHE H 1 57 ALA MB . . 4.590 4.068 3.978 4.210 . 0 0 "[ . 1 . 2]" 1
912 1 56 PHE HA 1 56 PHE QD . . 4.410 3.704 3.666 3.728 . 0 0 "[ . 1 . 2]" 1
913 1 56 PHE HA 1 57 ALA H . . 3.310 2.403 2.327 2.479 . 0 0 "[ . 1 . 2]" 1
914 1 56 PHE HA 1 57 ALA MB . . 4.550 3.796 3.734 3.844 . 0 0 "[ . 1 . 2]" 1
915 1 56 PHE QB 1 57 ALA H . . 3.390 2.446 2.278 2.582 . 0 0 "[ . 1 . 2]" 1
916 1 56 PHE HB2 1 57 ALA H . . 3.880 2.478 2.305 2.624 . 0 0 "[ . 1 . 2]" 1
917 1 56 PHE HB3 1 57 ALA H . . 3.880 3.782 3.562 3.887 0.007 2 0 "[ . 1 . 2]" 1
918 1 56 PHE QD 1 57 ALA H . . 4.020 3.419 3.016 3.774 . 0 0 "[ . 1 . 2]" 1
919 1 57 ALA H 1 57 ALA MB . . 3.620 2.845 2.731 2.890 . 0 0 "[ . 1 . 2]" 1
920 1 57 ALA HA 1 58 PHE H . . 3.170 2.598 2.471 2.646 . 0 0 "[ . 1 . 2]" 1
921 1 57 ALA MB 1 58 PHE H . . 3.150 2.136 1.963 2.452 . 0 0 "[ . 1 . 2]" 1
922 1 57 ALA MB 1 58 PHE HA . . 5.100 3.952 3.872 4.020 . 0 0 "[ . 1 . 2]" 1
923 1 58 PHE H 1 58 PHE HB2 . . 4.080 2.725 2.619 2.841 . 0 0 "[ . 1 . 2]" 1
924 1 58 PHE H 1 58 PHE QB . . 3.490 2.669 2.571 2.770 . 0 0 "[ . 1 . 2]" 1
925 1 58 PHE H 1 58 PHE HB3 . . 4.080 3.818 3.747 3.860 . 0 0 "[ . 1 . 2]" 1
926 1 58 PHE H 1 58 PHE QD . . 4.050 2.826 1.979 3.346 . 0 0 "[ . 1 . 2]" 1
927 1 58 PHE HA 1 58 PHE QD . . 3.990 2.924 2.522 3.227 . 0 0 "[ . 1 . 2]" 1
928 1 58 PHE HA 1 59 VAL H . . 3.170 2.160 2.139 2.200 . 0 0 "[ . 1 . 2]" 1
929 1 58 PHE HA 1 59 VAL HB . . 4.740 4.661 4.553 4.732 . 0 0 "[ . 1 . 2]" 1
930 1 58 PHE HA 1 59 VAL MG2 . . 4.370 3.585 3.387 3.748 . 0 0 "[ . 1 . 2]" 1
931 1 58 PHE QB 1 59 VAL H . . 3.730 3.147 2.942 3.339 . 0 0 "[ . 1 . 2]" 1
932 1 58 PHE HB2 1 59 VAL H . . 4.320 4.145 3.977 4.310 . 0 0 "[ . 1 . 2]" 1
933 1 58 PHE HB3 1 59 VAL H . . 4.320 3.261 3.028 3.480 . 0 0 "[ . 1 . 2]" 1
934 1 58 PHE QD 1 59 VAL H . . 4.570 4.273 3.957 4.557 . 0 0 "[ . 1 . 2]" 1
935 1 58 PHE QD 1 89 ALA MB . . 3.470 2.429 1.930 3.033 . 0 0 "[ . 1 . 2]" 1
936 1 58 PHE QE 1 89 ALA MB . . 3.680 2.776 1.980 3.659 . 0 0 "[ . 1 . 2]" 1
937 1 59 VAL H 1 59 VAL HB . . 3.620 2.659 2.581 2.767 . 0 0 "[ . 1 . 2]" 1
938 1 59 VAL H 1 59 VAL MG1 . . 4.210 3.860 3.817 3.909 . 0 0 "[ . 1 . 2]" 1
939 1 59 VAL H 1 59 VAL MG2 . . 3.510 2.661 2.393 2.822 . 0 0 "[ . 1 . 2]" 1
940 1 59 VAL H 1 60 GLU H . . 4.740 4.428 4.358 4.495 . 0 0 "[ . 1 . 2]" 1
941 1 59 VAL HA 1 59 VAL MG1 . . 3.270 2.299 2.214 2.458 . 0 0 "[ . 1 . 2]" 1
942 1 59 VAL HA 1 59 VAL MG2 . . 3.290 2.387 2.330 2.490 . 0 0 "[ . 1 . 2]" 1
943 1 59 VAL HA 1 60 GLU H . . 3.400 2.177 2.141 2.231 . 0 0 "[ . 1 . 2]" 1
944 1 59 VAL HB 1 60 GLU H . . 4.750 4.046 3.932 4.241 . 0 0 "[ . 1 . 2]" 1
945 1 59 VAL HB 1 61 PHE QD . . 4.400 3.785 3.487 4.018 . 0 0 "[ . 1 . 2]" 1
946 1 59 VAL MG1 1 60 GLU H . . 3.510 2.390 2.174 2.732 . 0 0 "[ . 1 . 2]" 1
947 1 59 VAL MG1 1 61 PHE QD . . 3.610 2.685 2.152 3.311 . 0 0 "[ . 1 . 2]" 1
948 1 59 VAL MG1 1 61 PHE HZ . . 4.190 3.889 3.739 4.010 . 0 0 "[ . 1 . 2]" 1
949 1 59 VAL MG2 1 60 GLU H . . 4.830 4.031 3.825 4.133 . 0 0 "[ . 1 . 2]" 1
950 1 60 GLU H 1 60 GLU QB . . 3.600 2.343 2.206 2.406 . 0 0 "[ . 1 . 2]" 1
951 1 60 GLU H 1 60 GLU QG . . 4.540 3.863 3.268 4.056 . 0 0 "[ . 1 . 2]" 1
952 1 60 GLU H 1 61 PHE H . . 4.700 4.472 4.302 4.570 . 0 0 "[ . 1 . 2]" 1
953 1 60 GLU HA 1 61 PHE H . . 3.350 2.184 2.138 2.273 . 0 0 "[ . 1 . 2]" 1
954 1 60 GLU QG 1 61 PHE H . . 3.630 2.949 2.378 3.500 . 0 0 "[ . 1 . 2]" 1
955 1 60 GLU HG2 1 61 PHE H . . 4.180 3.393 2.586 4.171 . 0 0 "[ . 1 . 2]" 1
956 1 60 GLU HG3 1 61 PHE H . . 4.180 3.401 2.463 4.203 0.023 11 0 "[ . 1 . 2]" 1
957 1 61 PHE H 1 61 PHE HB2 . . 4.120 2.371 2.274 2.497 . 0 0 "[ . 1 . 2]" 1
958 1 61 PHE H 1 61 PHE QB . . 3.520 2.341 2.249 2.458 . 0 0 "[ . 1 . 2]" 1
959 1 61 PHE H 1 61 PHE HB3 . . 4.120 3.605 3.553 3.667 . 0 0 "[ . 1 . 2]" 1
960 1 61 PHE H 1 61 PHE QD . . 3.960 2.614 2.425 2.819 . 0 0 "[ . 1 . 2]" 1
961 1 61 PHE H 1 67 ALA MB . . 4.170 3.971 3.691 4.165 . 0 0 "[ . 1 . 2]" 1
962 1 61 PHE QB 1 62 GLU H . . 4.170 2.833 2.415 3.253 . 0 0 "[ . 1 . 2]" 1
963 1 61 PHE QB 1 63 LEU H . . 3.780 2.577 2.330 2.914 . 0 0 "[ . 1 . 2]" 1
964 1 61 PHE QB 1 67 ALA H . . 4.280 3.200 3.046 3.460 . 0 0 "[ . 1 . 2]" 1
965 1 61 PHE QB 1 67 ALA MB . . 3.300 2.276 1.983 2.533 . 0 0 "[ . 1 . 2]" 1
966 1 61 PHE HB2 1 67 ALA MB . . 3.910 2.334 2.013 2.612 . 0 0 "[ . 1 . 2]" 1
967 1 61 PHE HB3 1 67 ALA MB . . 3.910 3.167 2.943 3.519 . 0 0 "[ . 1 . 2]" 1
968 1 61 PHE QD 1 62 GLU H . . 4.710 4.143 3.805 4.403 . 0 0 "[ . 1 . 2]" 1
969 1 61 PHE QD 1 67 ALA H . . 4.330 3.065 2.836 3.459 . 0 0 "[ . 1 . 2]" 1
970 1 61 PHE QD 1 67 ALA HA . . 3.990 2.754 2.384 2.972 . 0 0 "[ . 1 . 2]" 1
971 1 61 PHE QD 1 67 ALA MB . . 3.460 3.180 2.966 3.348 . 0 0 "[ . 1 . 2]" 1
972 1 61 PHE QD 1 70 ALA MB . . 3.790 3.674 3.486 3.759 . 0 0 "[ . 1 . 2]" 1
973 1 61 PHE QE 1 70 ALA HA . . 4.390 4.277 4.077 4.369 . 0 0 "[ . 1 . 2]" 1
974 1 61 PHE QE 1 70 ALA MB . . 3.960 2.002 1.943 2.162 . 0 0 "[ . 1 . 2]" 1
975 1 61 PHE HZ 1 70 ALA MB . . 3.300 2.287 2.107 2.633 . 0 0 "[ . 1 . 2]" 1
976 1 62 GLU H 1 62 GLU HB2 . . 3.850 2.402 2.181 3.587 . 0 0 "[ . 1 . 2]" 1
977 1 62 GLU H 1 62 GLU QB . . 3.360 2.222 2.125 2.602 . 0 0 "[ . 1 . 2]" 1
978 1 62 GLU H 1 62 GLU HB3 . . 3.850 2.735 2.514 2.952 . 0 0 "[ . 1 . 2]" 1
979 1 62 GLU H 1 62 GLU QG . . 4.020 3.886 2.132 4.045 0.025 15 0 "[ . 1 . 2]" 1
980 1 62 GLU H 1 63 LEU H . . 3.870 2.726 2.538 2.952 . 0 0 "[ . 1 . 2]" 1
981 1 62 GLU HA 1 62 GLU QG . . 3.370 2.503 2.225 3.332 . 0 0 "[ . 1 . 2]" 1
982 1 62 GLU HA 1 63 LEU MD2 . . 4.710 4.539 4.171 4.711 0.001 8 0 "[ . 1 . 2]" 1
983 1 62 GLU HA 1 63 LEU HG . . 4.740 4.517 4.359 4.742 0.002 13 0 "[ . 1 . 2]" 1
984 1 62 GLU QB 1 63 LEU H . . 3.520 2.694 2.341 3.427 . 0 0 "[ . 1 . 2]" 1
985 1 62 GLU QB 1 63 LEU MD1 . . 4.580 3.779 3.503 4.402 . 0 0 "[ . 1 . 2]" 1
986 1 62 GLU QB 1 63 LEU MD2 . . 5.340 3.816 2.981 4.084 . 0 0 "[ . 1 . 2]" 1
987 1 62 GLU QB 1 63 LEU HG . . 3.870 2.692 2.447 3.222 . 0 0 "[ . 1 . 2]" 1
988 1 62 GLU HB2 1 63 LEU H . . 4.030 3.794 3.501 4.026 . 0 0 "[ . 1 . 2]" 1
989 1 62 GLU HB2 1 63 LEU HG . . 4.500 4.290 3.309 4.466 . 0 0 "[ . 1 . 2]" 1
990 1 62 GLU HB3 1 63 LEU H . . 4.030 2.779 2.378 4.031 0.001 13 0 "[ . 1 . 2]" 1
991 1 62 GLU HB3 1 63 LEU HG . . 4.500 2.776 2.463 4.430 . 0 0 "[ . 1 . 2]" 1
992 1 62 GLU QG 1 63 LEU H . . 4.200 3.873 1.895 4.207 0.007 18 0 "[ . 1 . 2]" 1
993 1 62 GLU QG 1 63 LEU MD1 . . 4.310 3.945 3.353 4.202 . 0 0 "[ . 1 . 2]" 1
994 1 62 GLU QG 1 63 LEU MD2 . . 3.250 3.060 2.602 3.257 0.007 13 0 "[ . 1 . 2]" 1
995 1 62 GLU QG 1 63 LEU HG . . 3.680 2.845 1.986 3.253 . 0 0 "[ . 1 . 2]" 1
996 1 63 LEU H 1 63 LEU HB2 . . 3.790 2.710 2.608 2.810 . 0 0 "[ . 1 . 2]" 1
997 1 63 LEU H 1 63 LEU MD1 . . 4.150 4.017 3.913 4.154 0.004 3 0 "[ . 1 . 2]" 1
998 1 63 LEU H 1 63 LEU MD2 . . 4.000 3.900 3.522 4.000 . 4 0 "[ . 1 . 2]" 1
999 1 63 LEU H 1 63 LEU HG . . 3.620 2.997 2.735 3.173 . 0 0 "[ . 1 . 2]" 1
1000 1 63 LEU H 1 64 ALA H . . 4.580 4.443 4.404 4.476 . 0 0 "[ . 1 . 2]" 1
1001 1 63 LEU H 1 67 ALA H . . 4.710 4.511 4.340 4.644 . 0 0 "[ . 1 . 2]" 1
1002 1 63 LEU H 1 67 ALA MB . . 4.860 4.668 4.418 4.821 . 0 0 "[ . 1 . 2]" 1
1003 1 63 LEU HA 1 63 LEU MD1 . . 4.040 3.915 3.882 3.937 . 0 0 "[ . 1 . 2]" 1
1004 1 63 LEU HA 1 63 LEU MD2 . . 2.910 2.300 2.103 2.415 . 0 0 "[ . 1 . 2]" 1
1005 1 63 LEU HA 1 64 ALA H . . 3.250 2.463 2.288 2.624 . 0 0 "[ . 1 . 2]" 1
1006 1 63 LEU HA 1 64 ALA MB . . 4.180 4.065 4.005 4.153 . 0 0 "[ . 1 . 2]" 1
1007 1 63 LEU HB2 1 63 LEU MD1 . . 3.250 2.239 2.095 2.341 . 0 0 "[ . 1 . 2]" 1
1008 1 63 LEU HB2 1 63 LEU MD2 . . 3.650 3.177 3.164 3.187 . 0 0 "[ . 1 . 2]" 1
1009 1 63 LEU HB2 1 65 GLU H . . 4.110 3.853 3.474 4.103 . 0 0 "[ . 1 . 2]" 1
1010 1 63 LEU HB2 1 66 ASP H . . 4.190 2.862 2.570 3.190 . 0 0 "[ . 1 . 2]" 1
1011 1 63 LEU HB2 1 67 ALA H . . 4.610 4.400 4.208 4.550 . 0 0 "[ . 1 . 2]" 1
1012 1 63 LEU HB3 1 63 LEU MD1 . . 3.240 2.439 2.289 2.552 . 0 0 "[ . 1 . 2]" 1
1013 1 63 LEU HB3 1 64 ALA H . . 4.080 2.311 2.017 2.737 . 0 0 "[ . 1 . 2]" 1
1014 1 63 LEU HB3 1 65 GLU H . . 4.050 3.145 2.920 3.327 . 0 0 "[ . 1 . 2]" 1
1015 1 63 LEU HB3 1 65 GLU QB . . 4.760 4.263 3.762 4.616 . 0 0 "[ . 1 . 2]" 1
1016 1 63 LEU HB3 1 66 ASP H . . 4.330 3.663 3.390 4.056 . 0 0 "[ . 1 . 2]" 1
1017 1 63 LEU MD1 1 65 GLU QB . . 4.630 4.269 3.643 4.636 0.006 8 0 "[ . 1 . 2]" 1
1018 1 63 LEU MD1 1 65 GLU QG . . 4.560 3.249 2.608 4.342 . 0 0 "[ . 1 . 2]" 1
1019 1 63 LEU MD1 1 66 ASP H . . 4.490 3.879 3.602 4.047 . 0 0 "[ . 1 . 2]" 1
1020 1 63 LEU MD2 1 64 ALA H . . 3.780 3.390 3.232 3.661 . 0 0 "[ . 1 . 2]" 1
1021 1 63 LEU MD2 1 65 GLU H . . 4.890 4.723 4.525 4.882 . 0 0 "[ . 1 . 2]" 1
1022 1 63 LEU MD2 1 65 GLU QB . . 5.500 5.400 5.133 5.508 0.008 8 0 "[ . 1 . 2]" 1
1023 1 64 ALA H 1 64 ALA MB . . 3.070 2.153 2.038 2.315 . 0 0 "[ . 1 . 2]" 1
1024 1 64 ALA H 1 65 GLU H . . 3.730 2.539 2.305 2.755 . 0 0 "[ . 1 . 2]" 1
1025 1 64 ALA HA 1 66 ASP H . . 5.110 4.699 4.399 5.007 . 0 0 "[ . 1 . 2]" 1
1026 1 64 ALA HA 1 67 ALA H . . 3.920 3.519 3.409 3.661 . 0 0 "[ . 1 . 2]" 1
1027 1 64 ALA HA 1 67 ALA MB . . 3.350 2.675 2.522 2.932 . 0 0 "[ . 1 . 2]" 1
1028 1 64 ALA MB 1 65 GLU H . . 3.340 2.487 2.246 2.765 . 0 0 "[ . 1 . 2]" 1
1029 1 64 ALA MB 1 65 GLU HA . . 4.250 3.700 3.583 3.824 . 0 0 "[ . 1 . 2]" 1
1030 1 64 ALA MB 1 65 GLU QB . . 4.880 4.153 3.995 4.403 . 0 0 "[ . 1 . 2]" 1
1031 1 64 ALA MB 1 66 ASP H . . 4.970 4.706 4.520 4.880 . 0 0 "[ . 1 . 2]" 1
1032 1 65 GLU H 1 65 GLU QB . . 3.230 2.533 2.464 2.662 . 0 0 "[ . 1 . 2]" 1
1033 1 65 GLU H 1 65 GLU HG2 . . 4.110 2.111 1.929 2.549 . 0 0 "[ . 1 . 2]" 1
1034 1 65 GLU H 1 65 GLU HG3 . . 4.110 3.289 2.220 3.622 . 0 0 "[ . 1 . 2]" 1
1035 1 65 GLU H 1 66 ASP H . . 3.710 2.992 2.791 3.202 . 0 0 "[ . 1 . 2]" 1
1036 1 65 GLU H 1 67 ALA H . . 4.480 4.278 4.076 4.430 . 0 0 "[ . 1 . 2]" 1
1037 1 65 GLU H 1 68 ALA H . . 5.160 4.945 4.822 5.046 . 0 0 "[ . 1 . 2]" 1
1038 1 65 GLU HA 1 65 GLU HG2 . . 3.910 3.366 2.490 3.728 . 0 0 "[ . 1 . 2]" 1
1039 1 65 GLU HA 1 65 GLU HG3 . . 3.910 3.781 3.508 3.886 . 0 0 "[ . 1 . 2]" 1
1040 1 65 GLU HA 1 67 ALA H . . 4.550 4.422 4.258 4.546 . 0 0 "[ . 1 . 2]" 1
1041 1 65 GLU HA 1 68 ALA H . . 3.900 3.624 3.538 3.749 . 0 0 "[ . 1 . 2]" 1
1042 1 65 GLU HA 1 68 ALA MB . . 3.060 2.859 2.693 3.002 . 0 0 "[ . 1 . 2]" 1
1043 1 65 GLU QB 1 66 ASP H . . 4.060 2.811 1.985 3.325 . 0 0 "[ . 1 . 2]" 1
1044 1 65 GLU QB 1 67 ALA H . . 5.240 4.844 4.414 5.141 . 0 0 "[ . 1 . 2]" 1
1045 1 65 GLU QB 1 68 ALA H . . 5.190 5.022 4.887 5.181 . 0 0 "[ . 1 . 2]" 1
1046 1 65 GLU QB 1 68 ALA MB . . 5.260 4.215 3.995 4.386 . 0 0 "[ . 1 . 2]" 1
1047 1 65 GLU HG2 1 66 ASP H . . 4.520 2.958 1.954 4.518 . 0 0 "[ . 1 . 2]" 1
1048 1 65 GLU HG3 1 66 ASP H . . 4.520 2.779 1.916 4.456 . 0 0 "[ . 1 . 2]" 1
1049 1 66 ASP H 1 66 ASP QB . . 3.670 2.414 2.186 2.662 . 0 0 "[ . 1 . 2]" 1
1050 1 66 ASP H 1 67 ALA H . . 3.160 2.850 2.710 3.025 . 0 0 "[ . 1 . 2]" 1
1051 1 66 ASP H 1 67 ALA MB . . 4.510 4.435 4.303 4.508 . 0 0 "[ . 1 . 2]" 1
1052 1 66 ASP H 1 68 ALA H . . 4.810 4.548 4.402 4.645 . 0 0 "[ . 1 . 2]" 1
1053 1 66 ASP H 1 69 ALA H . . 5.180 4.963 4.889 5.031 . 0 0 "[ . 1 . 2]" 1
1054 1 66 ASP HA 1 68 ALA H . . 4.740 4.718 4.643 4.740 . 0 0 "[ . 1 . 2]" 1
1055 1 66 ASP HA 1 69 ALA H . . 3.740 3.619 3.481 3.713 . 0 0 "[ . 1 . 2]" 1
1056 1 66 ASP HA 1 69 ALA MB . . 3.370 2.814 2.494 3.031 . 0 0 "[ . 1 . 2]" 1
1057 1 66 ASP HA 1 70 ALA H . . 4.390 4.327 4.232 4.384 . 0 0 "[ . 1 . 2]" 1
1058 1 66 ASP QB 1 70 ALA H . . 5.070 4.806 4.706 4.934 . 0 0 "[ . 1 . 2]" 1
1059 1 66 ASP HB2 1 67 ALA H . . 3.800 2.779 2.443 3.722 . 0 0 "[ . 1 . 2]" 1
1060 1 66 ASP HB3 1 67 ALA H . . 3.800 3.553 3.255 3.803 0.003 6 0 "[ . 1 . 2]" 1
1061 1 67 ALA H 1 67 ALA MB . . 2.890 2.110 2.026 2.225 . 0 0 "[ . 1 . 2]" 1
1062 1 67 ALA H 1 68 ALA H . . 3.210 2.864 2.769 2.968 . 0 0 "[ . 1 . 2]" 1
1063 1 67 ALA H 1 69 ALA H . . 4.380 4.241 4.155 4.321 . 0 0 "[ . 1 . 2]" 1
1064 1 67 ALA H 1 69 ALA MB . . 5.100 4.859 4.739 4.987 . 0 0 "[ . 1 . 2]" 1
1065 1 67 ALA H 1 70 ALA H . . 4.820 4.775 4.694 4.816 . 0 0 "[ . 1 . 2]" 1
1066 1 67 ALA H 1 70 ALA MB . . 4.830 4.723 4.588 4.821 . 0 0 "[ . 1 . 2]" 1
1067 1 67 ALA HA 1 69 ALA H . . 4.500 4.453 4.310 4.499 . 0 0 "[ . 1 . 2]" 1
1068 1 67 ALA HA 1 70 ALA H . . 3.960 3.444 3.399 3.498 . 0 0 "[ . 1 . 2]" 1
1069 1 67 ALA HA 1 70 ALA MB . . 3.390 2.691 2.585 2.839 . 0 0 "[ . 1 . 2]" 1
1070 1 67 ALA MB 1 68 ALA H . . 2.630 2.344 2.244 2.481 . 0 0 "[ . 1 . 2]" 1
1071 1 67 ALA MB 1 70 ALA H . . 4.590 4.526 4.445 4.586 . 0 0 "[ . 1 . 2]" 1
1072 1 68 ALA H 1 68 ALA MB . . 2.780 2.127 2.029 2.237 . 0 0 "[ . 1 . 2]" 1
1073 1 68 ALA H 1 69 ALA H . . 3.130 2.844 2.793 2.912 . 0 0 "[ . 1 . 2]" 1
1074 1 68 ALA H 1 69 ALA MB . . 4.690 4.456 4.371 4.547 . 0 0 "[ . 1 . 2]" 1
1075 1 68 ALA H 1 71 ILE MD . . 4.620 4.365 4.061 4.578 . 0 0 "[ . 1 . 2]" 1
1076 1 68 ALA HA 1 70 ALA H . . 4.640 4.402 4.199 4.544 . 0 0 "[ . 1 . 2]" 1
1077 1 68 ALA HA 1 71 ILE H . . 4.140 3.568 3.485 3.648 . 0 0 "[ . 1 . 2]" 1
1078 1 68 ALA HA 1 71 ILE HB . . 3.900 3.191 3.025 3.392 . 0 0 "[ . 1 . 2]" 1
1079 1 68 ALA HA 1 71 ILE MD . . 3.200 2.609 2.377 2.808 . 0 0 "[ . 1 . 2]" 1
1080 1 68 ALA HA 1 71 ILE HG13 . . 4.280 3.380 3.144 3.663 . 0 0 "[ . 1 . 2]" 1
1081 1 68 ALA HA 1 71 ILE MG . . 4.590 4.449 4.289 4.590 . 0 0 "[ . 1 . 2]" 1
1082 1 68 ALA HA 1 72 ASP H . . 4.610 4.220 4.047 4.397 . 0 0 "[ . 1 . 2]" 1
1083 1 68 ALA MB 1 69 ALA H . . 3.010 2.575 2.432 2.696 . 0 0 "[ . 1 . 2]" 1
1084 1 68 ALA MB 1 71 ILE H . . 4.670 4.649 4.596 4.671 0.001 16 0 "[ . 1 . 2]" 1
1085 1 68 ALA MB 1 71 ILE MD . . 3.930 3.794 3.634 3.913 . 0 0 "[ . 1 . 2]" 1
1086 1 69 ALA H 1 69 ALA MB . . 2.760 2.136 2.032 2.237 . 0 0 "[ . 1 . 2]" 1
1087 1 69 ALA H 1 70 ALA H . . 3.000 2.684 2.617 2.742 . 0 0 "[ . 1 . 2]" 1
1088 1 69 ALA H 1 70 ALA HA . . 5.500 5.282 5.229 5.328 . 0 0 "[ . 1 . 2]" 1
1089 1 69 ALA H 1 70 ALA MB . . 4.400 4.326 4.272 4.363 . 0 0 "[ . 1 . 2]" 1
1090 1 69 ALA H 1 71 ILE H . . 4.310 4.232 4.158 4.302 . 0 0 "[ . 1 . 2]" 1
1091 1 69 ALA HA 1 72 ASP H . . 4.070 3.715 3.508 3.963 . 0 0 "[ . 1 . 2]" 1
1092 1 69 ALA HA 1 72 ASP QB . . 3.550 2.833 2.653 3.002 . 0 0 "[ . 1 . 2]" 1
1093 1 69 ALA HA 1 73 ASN H . . 4.810 4.536 4.314 4.749 . 0 0 "[ . 1 . 2]" 1
1094 1 69 ALA HA 1 73 ASN HD21 . . 4.650 3.552 3.260 3.790 . 0 0 "[ . 1 . 2]" 1
1095 1 69 ALA HA 1 73 ASN QD . . 4.050 3.350 3.099 3.585 . 0 0 "[ . 1 . 2]" 1
1096 1 69 ALA HA 1 73 ASN HD22 . . 4.650 4.116 3.735 4.423 . 0 0 "[ . 1 . 2]" 1
1097 1 69 ALA MB 1 70 ALA H . . 3.110 2.619 2.476 2.792 . 0 0 "[ . 1 . 2]" 1
1098 1 69 ALA MB 1 70 ALA HA . . 4.320 3.758 3.673 3.831 . 0 0 "[ . 1 . 2]" 1
1099 1 69 ALA MB 1 70 ALA MB . . 4.040 3.777 3.714 3.887 . 0 0 "[ . 1 . 2]" 1
1100 1 69 ALA MB 1 71 ILE H . . 4.840 4.550 4.476 4.662 . 0 0 "[ . 1 . 2]" 1
1101 1 69 ALA MB 1 72 ASP H . . 5.150 4.914 4.739 5.133 . 0 0 "[ . 1 . 2]" 1
1102 1 69 ALA MB 1 72 ASP QB . . 4.340 4.102 3.945 4.211 . 0 0 "[ . 1 . 2]" 1
1103 1 69 ALA MB 1 73 ASN H . . 5.200 5.009 4.777 5.171 . 0 0 "[ . 1 . 2]" 1
1104 1 69 ALA MB 1 73 ASN HD21 . . 4.220 3.788 3.493 4.079 . 0 0 "[ . 1 . 2]" 1
1105 1 69 ALA MB 1 73 ASN QD . . 3.670 3.382 3.122 3.647 . 0 0 "[ . 1 . 2]" 1
1106 1 69 ALA MB 1 73 ASN HD22 . . 4.220 3.816 3.515 4.121 . 0 0 "[ . 1 . 2]" 1
1107 1 70 ALA H 1 70 ALA MB . . 2.880 2.186 2.041 2.242 . 0 0 "[ . 1 . 2]" 1
1108 1 70 ALA H 1 71 ILE HB . . 5.150 4.972 4.824 5.093 . 0 0 "[ . 1 . 2]" 1
1109 1 70 ALA H 1 72 ASP H . . 4.710 4.559 4.428 4.692 . 0 0 "[ . 1 . 2]" 1
1110 1 70 ALA HA 1 73 ASN H . . 4.440 3.801 3.697 3.950 . 0 0 "[ . 1 . 2]" 1
1111 1 70 ALA MB 1 71 ILE H . . 3.670 2.576 2.502 2.659 . 0 0 "[ . 1 . 2]" 1
1112 1 70 ALA MB 1 71 ILE HG12 . . 4.470 4.128 3.865 4.322 . 0 0 "[ . 1 . 2]" 1
1113 1 70 ALA MB 1 73 ASN H . . 4.770 4.665 4.562 4.757 . 0 0 "[ . 1 . 2]" 1
1114 1 70 ALA MB 1 74 MET H . . 4.770 4.147 3.996 4.296 . 0 0 "[ . 1 . 2]" 1
1115 1 71 ILE H 1 71 ILE HB . . 3.490 2.547 2.493 2.619 . 0 0 "[ . 1 . 2]" 1
1116 1 71 ILE H 1 71 ILE MD . . 3.600 3.521 3.401 3.582 . 0 0 "[ . 1 . 2]" 1
1117 1 71 ILE H 1 71 ILE HG12 . . 3.720 3.388 3.174 3.540 . 0 0 "[ . 1 . 2]" 1
1118 1 71 ILE H 1 71 ILE HG13 . . 3.610 2.084 1.955 2.191 . 0 0 "[ . 1 . 2]" 1
1119 1 71 ILE H 1 71 ILE MG . . 3.910 3.764 3.761 3.769 . 0 0 "[ . 1 . 2]" 1
1120 1 71 ILE H 1 72 ASP H . . 3.450 2.804 2.724 2.908 . 0 0 "[ . 1 . 2]" 1
1121 1 71 ILE H 1 73 ASN H . . 4.420 3.885 3.764 3.940 . 0 0 "[ . 1 . 2]" 1
1122 1 71 ILE H 1 73 ASN HB2 . . 5.210 5.098 4.888 5.212 0.002 13 0 "[ . 1 . 2]" 1
1123 1 71 ILE H 1 86 VAL MG1 . . 4.100 3.955 3.841 4.089 . 0 0 "[ . 1 . 2]" 1
1124 1 71 ILE HA 1 71 ILE MD . . 4.030 3.849 3.829 3.881 . 0 0 "[ . 1 . 2]" 1
1125 1 71 ILE HA 1 71 ILE HG12 . . 3.770 2.575 2.536 2.638 . 0 0 "[ . 1 . 2]" 1
1126 1 71 ILE HA 1 71 ILE MG . . 3.130 2.394 2.289 2.460 . 0 0 "[ . 1 . 2]" 1
1127 1 71 ILE HA 1 73 ASN H . . 5.160 3.811 3.656 3.970 . 0 0 "[ . 1 . 2]" 1
1128 1 71 ILE HA 1 74 MET H . . 4.380 3.983 3.821 4.082 . 0 0 "[ . 1 . 2]" 1
1129 1 71 ILE HA 1 75 ASN H . . 4.030 3.153 2.710 3.458 . 0 0 "[ . 1 . 2]" 1
1130 1 71 ILE HA 1 86 VAL HB . . 3.980 2.890 2.644 3.054 . 0 0 "[ . 1 . 2]" 1
1131 1 71 ILE HA 1 86 VAL MG1 . . 3.160 2.054 1.938 2.230 . 0 0 "[ . 1 . 2]" 1
1132 1 71 ILE HA 1 86 VAL MG2 . . 3.870 3.758 3.529 3.875 0.005 4 0 "[ . 1 . 2]" 1
1133 1 71 ILE HB 1 71 ILE MD . . 3.100 2.362 2.276 2.465 . 0 0 "[ . 1 . 2]" 1
1134 1 71 ILE HB 1 72 ASP H . . 3.360 2.223 2.046 2.314 . 0 0 "[ . 1 . 2]" 1
1135 1 71 ILE HB 1 72 ASP QB . . 4.420 4.104 3.872 4.377 . 0 0 "[ . 1 . 2]" 1
1136 1 71 ILE HB 1 73 ASN H . . 4.900 4.567 4.465 4.686 . 0 0 "[ . 1 . 2]" 1
1137 1 71 ILE MD 1 72 ASP H . . 4.280 4.229 4.014 4.281 0.001 7 0 "[ . 1 . 2]" 1
1138 1 71 ILE MD 1 87 ASN H . . 4.410 4.231 4.009 4.398 . 0 0 "[ . 1 . 2]" 1
1139 1 71 ILE MD 1 87 ASN HA . . 3.590 2.812 2.257 3.196 . 0 0 "[ . 1 . 2]" 1
1140 1 71 ILE MD 1 88 LEU H . . 3.280 2.930 2.627 3.271 . 0 0 "[ . 1 . 2]" 1
1141 1 71 ILE MD 1 88 LEU HA . . 4.030 2.984 2.725 3.236 . 0 0 "[ . 1 . 2]" 1
1142 1 71 ILE MD 1 88 LEU HG . . 3.100 2.653 2.256 3.054 . 0 0 "[ . 1 . 2]" 1
1143 1 71 ILE HG12 1 71 ILE MG . . 3.190 2.292 2.202 2.433 . 0 0 "[ . 1 . 2]" 1
1144 1 71 ILE HG12 1 86 VAL MG1 . . 3.080 2.029 1.942 2.238 . 0 0 "[ . 1 . 2]" 1
1145 1 71 ILE HG12 1 87 ASN H . . 5.090 4.010 3.799 4.438 . 0 0 "[ . 1 . 2]" 1
1146 1 71 ILE HG12 1 88 LEU H . . 5.190 4.761 4.401 5.031 . 0 0 "[ . 1 . 2]" 1
1147 1 71 ILE MG 1 72 ASP H . . 3.580 3.159 2.949 3.330 . 0 0 "[ . 1 . 2]" 1
1148 1 71 ILE MG 1 72 ASP HA . . 3.600 3.386 3.151 3.564 . 0 0 "[ . 1 . 2]" 1
1149 1 71 ILE MG 1 72 ASP QB . . 4.730 4.388 4.083 4.726 . 0 0 "[ . 1 . 2]" 1
1150 1 71 ILE MG 1 75 ASN H . . 3.980 3.680 3.323 3.893 . 0 0 "[ . 1 . 2]" 1
1151 1 71 ILE MG 1 75 ASN HB2 . . 3.760 2.734 2.337 3.757 . 0 0 "[ . 1 . 2]" 1
1152 1 71 ILE MG 1 75 ASN QB . . 3.220 2.434 2.075 2.859 . 0 0 "[ . 1 . 2]" 1
1153 1 71 ILE MG 1 75 ASN HB3 . . 3.760 3.295 2.099 3.760 . 0 0 "[ . 1 . 2]" 1
1154 1 71 ILE MG 1 87 ASN HA . . 3.460 2.161 1.969 2.793 . 0 0 "[ . 1 . 2]" 1
1155 1 71 ILE MG 1 87 ASN QB . . 4.720 3.674 3.418 4.163 . 0 0 "[ . 1 . 2]" 1
1156 1 71 ILE MG 1 88 LEU H . . 4.160 3.676 3.291 4.132 . 0 0 "[ . 1 . 2]" 1
1157 1 72 ASP H 1 72 ASP QB . . 3.120 2.254 2.178 2.337 . 0 0 "[ . 1 . 2]" 1
1158 1 72 ASP QB 1 73 ASN H . . 3.220 2.926 2.801 3.157 . 0 0 "[ . 1 . 2]" 1
1159 1 72 ASP QB 1 73 ASN HD21 . . 4.570 2.607 2.305 2.933 . 0 0 "[ . 1 . 2]" 1
1160 1 72 ASP QB 1 73 ASN QD . . 3.950 2.520 2.257 2.810 . 0 0 "[ . 1 . 2]" 1
1161 1 72 ASP QB 1 73 ASN HD22 . . 4.570 3.359 3.000 3.623 . 0 0 "[ . 1 . 2]" 1
1162 1 73 ASN H 1 73 ASN HB2 . . 3.160 2.369 2.304 2.493 . 0 0 "[ . 1 . 2]" 1
1163 1 73 ASN H 1 73 ASN HB3 . . 3.770 3.613 3.572 3.690 . 0 0 "[ . 1 . 2]" 1
1164 1 73 ASN H 1 73 ASN HD21 . . 3.970 2.267 1.988 2.394 . 0 0 "[ . 1 . 2]" 1
1165 1 73 ASN H 1 73 ASN QD . . 3.310 2.253 1.980 2.375 . 0 0 "[ . 1 . 2]" 1
1166 1 73 ASN H 1 73 ASN HD22 . . 3.970 3.921 3.704 3.976 0.006 20 0 "[ . 1 . 2]" 1
1167 1 73 ASN H 1 74 MET H . . 3.120 2.727 2.650 2.787 . 0 0 "[ . 1 . 2]" 1
1168 1 73 ASN H 1 74 MET HB2 . . 4.620 4.438 4.255 4.557 . 0 0 "[ . 1 . 2]" 1
1169 1 73 ASN H 1 74 MET HG2 . . 4.590 4.432 4.291 4.538 . 0 0 "[ . 1 . 2]" 1
1170 1 73 ASN H 1 75 ASN H . . 4.000 3.470 3.292 3.763 . 0 0 "[ . 1 . 2]" 1
1171 1 73 ASN HB2 1 73 ASN QD . . 3.340 2.407 2.293 2.553 . 0 0 "[ . 1 . 2]" 1
1172 1 73 ASN HB2 1 73 ASN HD22 . . 3.850 3.567 3.516 3.635 . 0 0 "[ . 1 . 2]" 1
1173 1 73 ASN HB2 1 74 MET H . . 3.880 2.093 2.003 2.147 . 0 0 "[ . 1 . 2]" 1
1174 1 73 ASN HB3 1 74 MET H . . 4.180 2.743 2.664 2.859 . 0 0 "[ . 1 . 2]" 1
1175 1 74 MET H 1 74 MET HB2 . . 4.000 2.619 2.534 2.735 . 0 0 "[ . 1 . 2]" 1
1176 1 74 MET H 1 74 MET HB3 . . 3.950 3.609 3.593 3.625 . 0 0 "[ . 1 . 2]" 1
1177 1 74 MET H 1 74 MET ME . . 4.380 4.206 3.501 4.383 0.003 12 0 "[ . 1 . 2]" 1
1178 1 74 MET H 1 74 MET HG2 . . 3.810 2.138 1.899 2.243 . 0 0 "[ . 1 . 2]" 1
1179 1 74 MET H 1 74 MET HG3 . . 3.890 3.637 3.149 3.727 . 0 0 "[ . 1 . 2]" 1
1180 1 74 MET H 1 86 VAL MG1 . . 5.010 4.589 4.367 4.874 . 0 0 "[ . 1 . 2]" 1
1181 1 74 MET H 1 86 VAL MG2 . . 5.310 4.360 4.123 4.607 . 0 0 "[ . 1 . 2]" 1
1182 1 74 MET HA 1 74 MET ME . . 3.760 2.475 1.786 2.803 . 0 0 "[ . 1 . 2]" 1
1183 1 74 MET HA 1 77 SER HB2 . . 4.470 2.955 2.290 3.482 . 0 0 "[ . 1 . 2]" 1
1184 1 74 MET HA 1 77 SER HB3 . . 4.470 2.861 2.030 3.623 . 0 0 "[ . 1 . 2]" 1
1185 1 74 MET HB2 1 74 MET ME . . 4.550 3.424 3.325 3.514 . 0 0 "[ . 1 . 2]" 1
1186 1 74 MET HB2 1 75 ASN H . . 4.260 2.743 2.389 3.019 . 0 0 "[ . 1 . 2]" 1
1187 1 74 MET HB2 1 84 ILE MD . . 4.760 4.405 3.986 4.739 . 0 0 "[ . 1 . 2]" 1
1188 1 74 MET HB2 1 86 VAL MG1 . . 4.360 2.558 2.246 2.902 . 0 0 "[ . 1 . 2]" 1
1189 1 74 MET HB2 1 86 VAL MG2 . . 3.670 2.286 2.052 2.598 . 0 0 "[ . 1 . 2]" 1
1190 1 74 MET HB3 1 74 MET ME . . 3.740 2.004 1.960 2.082 . 0 0 "[ . 1 . 2]" 1
1191 1 74 MET HB3 1 84 ILE MD . . 3.950 2.885 2.426 3.268 . 0 0 "[ . 1 . 2]" 1
1192 1 74 MET HB3 1 86 VAL MG2 . . 4.220 1.875 1.776 2.015 . 0 0 "[ . 1 . 2]" 1
1193 1 74 MET ME 1 77 SER H . . 4.730 4.424 4.044 4.693 . 0 0 "[ . 1 . 2]" 1
1194 1 74 MET ME 1 78 GLU H . . 5.180 4.752 4.266 5.131 . 0 0 "[ . 1 . 2]" 1
1195 1 74 MET ME 1 84 ILE MD . . 2.990 2.036 1.844 2.601 . 0 0 "[ . 1 . 2]" 1
1196 1 75 ASN H 1 75 ASN HB2 . . 3.980 2.927 2.584 3.546 . 0 0 "[ . 1 . 2]" 1
1197 1 75 ASN H 1 75 ASN QB . . 3.160 2.225 2.162 2.275 . 0 0 "[ . 1 . 2]" 1
1198 1 75 ASN H 1 75 ASN HB3 . . 3.980 2.339 2.183 2.527 . 0 0 "[ . 1 . 2]" 1
1199 1 75 ASN H 1 75 ASN QD . . 5.000 4.446 4.158 4.611 . 0 0 "[ . 1 . 2]" 1
1200 1 75 ASN H 1 76 GLU H . . 4.580 4.454 4.394 4.567 . 0 0 "[ . 1 . 2]" 1
1201 1 75 ASN H 1 77 SER H . . 5.280 4.907 4.691 5.073 . 0 0 "[ . 1 . 2]" 1
1202 1 75 ASN H 1 86 VAL H . . 5.120 4.731 4.315 4.990 . 0 0 "[ . 1 . 2]" 1
1203 1 75 ASN H 1 86 VAL HB . . 3.730 2.971 2.501 3.323 . 0 0 "[ . 1 . 2]" 1
1204 1 75 ASN H 1 86 VAL MG1 . . 4.360 3.835 3.299 4.213 . 0 0 "[ . 1 . 2]" 1
1205 1 75 ASN H 1 86 VAL MG2 . . 3.640 3.334 3.027 3.619 . 0 0 "[ . 1 . 2]" 1
1206 1 75 ASN HA 1 76 GLU H . . 3.360 2.144 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
1207 1 75 ASN HA 1 77 SER H . . 3.950 3.907 3.755 3.953 0.003 20 0 "[ . 1 . 2]" 1
1208 1 75 ASN HA 1 86 VAL H . . 3.620 2.323 2.031 2.607 . 0 0 "[ . 1 . 2]" 1
1209 1 75 ASN HA 1 86 VAL HB . . 4.110 2.457 2.021 2.736 . 0 0 "[ . 1 . 2]" 1
1210 1 75 ASN HA 1 86 VAL MG1 . . 4.490 4.107 3.758 4.337 . 0 0 "[ . 1 . 2]" 1
1211 1 75 ASN HA 1 86 VAL MG2 . . 3.410 2.774 2.208 3.073 . 0 0 "[ . 1 . 2]" 1
1212 1 75 ASN QB 1 76 GLU H . . 4.350 3.729 3.313 3.900 . 0 0 "[ . 1 . 2]" 1
1213 1 75 ASN QB 1 86 VAL H . . 4.040 3.604 3.092 3.952 . 0 0 "[ . 1 . 2]" 1
1214 1 75 ASN QB 1 86 VAL HB . . 3.920 3.000 2.452 3.520 . 0 0 "[ . 1 . 2]" 1
1215 1 75 ASN QB 1 86 VAL MG1 . . 5.050 3.976 3.547 4.461 . 0 0 "[ . 1 . 2]" 1
1216 1 75 ASN QB 1 86 VAL MG2 . . 4.770 4.006 3.596 4.243 . 0 0 "[ . 1 . 2]" 1
1217 1 75 ASN HB2 1 86 VAL HB . . 4.480 3.260 2.480 4.191 . 0 0 "[ . 1 . 2]" 1
1218 1 75 ASN HB2 1 86 VAL MG2 . . 5.500 4.372 3.772 4.799 . 0 0 "[ . 1 . 2]" 1
1219 1 75 ASN HB3 1 86 VAL HB . . 4.480 3.969 2.643 4.477 . 0 0 "[ . 1 . 2]" 1
1220 1 75 ASN HB3 1 86 VAL MG2 . . 5.500 4.740 4.013 5.178 . 0 0 "[ . 1 . 2]" 1
1221 1 75 ASN QD 1 76 GLU HG2 . . 4.460 4.044 3.452 4.449 . 0 0 "[ . 1 . 2]" 1
1222 1 75 ASN QD 1 76 GLU HG3 . . 3.990 2.618 2.047 3.011 . 0 0 "[ . 1 . 2]" 1
1223 1 75 ASN HD21 1 76 GLU HG3 . . 4.640 3.234 2.648 3.900 . 0 0 "[ . 1 . 2]" 1
1224 1 75 ASN HD22 1 76 GLU HG3 . . 4.640 2.985 2.085 4.326 . 0 0 "[ . 1 . 2]" 1
1225 1 76 GLU H 1 76 GLU HG2 . . 4.000 3.668 3.464 3.867 . 0 0 "[ . 1 . 2]" 1
1226 1 76 GLU H 1 76 GLU HG3 . . 3.980 2.783 2.662 2.923 . 0 0 "[ . 1 . 2]" 1
1227 1 76 GLU H 1 77 SER H . . 3.380 2.727 2.651 2.812 . 0 0 "[ . 1 . 2]" 1
1228 1 76 GLU H 1 83 THR MG . . 4.250 4.173 4.045 4.251 0.001 12 0 "[ . 1 . 2]" 1
1229 1 76 GLU H 1 84 ILE QG . . 4.580 3.912 3.596 4.140 . 0 0 "[ . 1 . 2]" 1
1230 1 76 GLU H 1 85 ARG HA . . 3.930 2.453 2.167 2.764 . 0 0 "[ . 1 . 2]" 1
1231 1 76 GLU H 1 85 ARG HG2 . . 5.500 4.624 3.742 5.505 0.005 17 0 "[ . 1 . 2]" 1
1232 1 76 GLU H 1 85 ARG HG3 . . 5.500 4.647 3.558 5.504 0.004 20 0 "[ . 1 . 2]" 1
1233 1 76 GLU H 1 86 VAL H . . 4.080 2.915 2.563 3.162 . 0 0 "[ . 1 . 2]" 1
1234 1 76 GLU H 1 86 VAL HB . . 4.710 4.314 4.026 4.561 . 0 0 "[ . 1 . 2]" 1
1235 1 76 GLU H 1 86 VAL MG2 . . 3.990 3.592 3.368 3.821 . 0 0 "[ . 1 . 2]" 1
1236 1 76 GLU HA 1 76 GLU HG2 . . 3.660 2.644 2.542 2.766 . 0 0 "[ . 1 . 2]" 1
1237 1 76 GLU HA 1 76 GLU HG3 . . 4.080 2.949 2.785 3.083 . 0 0 "[ . 1 . 2]" 1
1238 1 76 GLU HA 1 77 SER H . . 3.530 2.784 2.737 2.853 . 0 0 "[ . 1 . 2]" 1
1239 1 76 GLU HA 1 83 THR MG . . 3.390 2.436 2.296 2.574 . 0 0 "[ . 1 . 2]" 1
1240 1 76 GLU HB2 1 83 THR MG . . 4.600 4.374 4.096 4.566 . 0 0 "[ . 1 . 2]" 1
1241 1 76 GLU HB3 1 83 THR MG . . 3.470 3.180 2.851 3.391 . 0 0 "[ . 1 . 2]" 1
1242 1 76 GLU HG2 1 83 THR MG . . 3.770 3.507 2.978 3.755 . 0 0 "[ . 1 . 2]" 1
1243 1 76 GLU HG2 1 85 ARG QD . . 4.530 3.854 2.813 4.522 . 0 0 "[ . 1 . 2]" 1
1244 1 76 GLU HG3 1 77 SER H . . 5.030 4.907 4.784 4.986 . 0 0 "[ . 1 . 2]" 1
1245 1 76 GLU HG3 1 83 THR MG . . 4.770 4.522 4.145 4.753 . 0 0 "[ . 1 . 2]" 1
1246 1 76 GLU HG3 1 85 ARG QD . . 4.880 4.049 2.426 4.886 0.006 20 0 "[ . 1 . 2]" 1
1247 1 77 SER H 1 77 SER HB2 . . 3.640 2.898 2.238 3.658 0.018 2 0 "[ . 1 . 2]" 1
1248 1 77 SER H 1 77 SER QB . . 3.160 2.454 2.214 2.834 . 0 0 "[ . 1 . 2]" 1
1249 1 77 SER H 1 77 SER HB3 . . 3.640 3.202 2.561 3.631 . 0 0 "[ . 1 . 2]" 1
1250 1 77 SER H 1 77 SER HG . . 3.610 2.806 1.918 3.479 . 0 0 "[ . 1 . 2]" 1
1251 1 77 SER H 1 78 GLU H . . 4.670 4.508 4.453 4.552 . 0 0 "[ . 1 . 2]" 1
1252 1 77 SER H 1 83 THR MG . . 3.770 3.659 3.410 3.777 0.007 19 0 "[ . 1 . 2]" 1
1253 1 77 SER H 1 84 ILE H . . 4.030 3.490 3.179 3.925 . 0 0 "[ . 1 . 2]" 1
1254 1 77 SER H 1 84 ILE MD . . 4.010 3.844 3.531 4.008 . 0 0 "[ . 1 . 2]" 1
1255 1 77 SER H 1 84 ILE HG12 . . 4.020 3.664 3.407 3.966 . 0 0 "[ . 1 . 2]" 1
1256 1 77 SER H 1 84 ILE QG . . 3.480 2.663 2.346 2.857 . 0 0 "[ . 1 . 2]" 1
1257 1 77 SER H 1 84 ILE HG13 . . 4.020 2.739 2.376 2.935 . 0 0 "[ . 1 . 2]" 1
1258 1 77 SER H 1 85 ARG HA . . 4.860 4.411 4.174 4.679 . 0 0 "[ . 1 . 2]" 1
1259 1 77 SER H 1 86 VAL H . . 5.250 5.086 4.871 5.204 . 0 0 "[ . 1 . 2]" 1
1260 1 77 SER H 1 86 VAL MG2 . . 4.130 3.888 3.693 4.105 . 0 0 "[ . 1 . 2]" 1
1261 1 77 SER HA 1 78 GLU H . . 2.980 2.572 2.437 2.643 . 0 0 "[ . 1 . 2]" 1
1262 1 77 SER HA 1 78 GLU QB . . 4.210 4.033 4.007 4.069 . 0 0 "[ . 1 . 2]" 1
1263 1 77 SER QB 1 78 GLU H . . 3.030 2.096 1.950 2.346 . 0 0 "[ . 1 . 2]" 1
1264 1 77 SER HB2 1 78 GLU H . . 3.820 2.898 1.984 3.740 . 0 0 "[ . 1 . 2]" 1
1265 1 77 SER HB3 1 78 GLU H . . 3.820 2.779 1.964 3.701 . 0 0 "[ . 1 . 2]" 1
1266 1 78 GLU H 1 78 GLU QB . . 3.050 2.436 2.367 2.489 . 0 0 "[ . 1 . 2]" 1
1267 1 78 GLU H 1 78 GLU HG2 . . 4.580 4.507 4.425 4.575 . 0 0 "[ . 1 . 2]" 1
1268 1 78 GLU H 1 78 GLU HG3 . . 4.860 4.594 4.506 4.721 . 0 0 "[ . 1 . 2]" 1
1269 1 78 GLU H 1 79 LEU H . . 4.460 4.232 4.105 4.431 . 0 0 "[ . 1 . 2]" 1
1270 1 78 GLU H 1 83 THR MG . . 5.390 5.293 5.154 5.388 . 0 0 "[ . 1 . 2]" 1
1271 1 78 GLU H 1 84 ILE QG . . 5.340 4.535 4.231 4.811 . 0 0 "[ . 1 . 2]" 1
1272 1 78 GLU HA 1 78 GLU HG2 . . 4.080 3.232 3.037 3.387 . 0 0 "[ . 1 . 2]" 1
1273 1 78 GLU HA 1 78 GLU HG3 . . 4.070 2.428 2.341 2.626 . 0 0 "[ . 1 . 2]" 1
1274 1 78 GLU HA 1 79 LEU H . . 2.980 2.151 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
1275 1 78 GLU HA 1 82 ARG H . . 4.060 3.901 3.638 4.095 0.035 20 0 "[ . 1 . 2]" 1
1276 1 78 GLU HA 1 83 THR HA . . 4.450 2.839 2.722 2.948 . 0 0 "[ . 1 . 2]" 1
1277 1 78 GLU HA 1 83 THR MG . . 4.780 4.208 4.097 4.338 . 0 0 "[ . 1 . 2]" 1
1278 1 78 GLU HA 1 84 ILE H . . 4.090 3.845 3.578 4.083 . 0 0 "[ . 1 . 2]" 1
1279 1 78 GLU HA 1 84 ILE MG . . 4.800 4.723 4.585 4.798 . 0 0 "[ . 1 . 2]" 1
1280 1 78 GLU QB 1 79 LEU H . . 3.950 3.886 3.741 3.954 0.004 6 0 "[ . 1 . 2]" 1
1281 1 78 GLU QB 1 79 LEU HA . . 5.340 4.528 4.444 4.593 . 0 0 "[ . 1 . 2]" 1
1282 1 78 GLU HB2 1 79 LEU H . . 4.630 4.419 4.252 4.510 . 0 0 "[ . 1 . 2]" 1
1283 1 78 GLU HB3 1 79 LEU H . . 4.630 4.311 4.150 4.401 . 0 0 "[ . 1 . 2]" 1
1284 1 78 GLU HG2 1 79 LEU H . . 4.320 3.721 3.338 4.009 . 0 0 "[ . 1 . 2]" 1
1285 1 78 GLU HG2 1 79 LEU HA . . 4.320 4.087 3.766 4.314 . 0 0 "[ . 1 . 2]" 1
1286 1 78 GLU HG2 1 82 ARG H . . 4.440 3.757 3.403 4.233 . 0 0 "[ . 1 . 2]" 1
1287 1 78 GLU HG3 1 79 LEU H . . 4.240 3.388 2.768 3.776 . 0 0 "[ . 1 . 2]" 1
1288 1 78 GLU HG3 1 81 GLY H . . 4.250 3.988 3.736 4.227 . 0 0 "[ . 1 . 2]" 1
1289 1 78 GLU HG3 1 81 GLY QA . . 4.620 3.391 3.160 3.615 . 0 0 "[ . 1 . 2]" 1
1290 1 78 GLU HG3 1 82 ARG H . . 4.600 3.245 2.889 3.559 . 0 0 "[ . 1 . 2]" 1
1291 1 78 GLU HG3 1 82 ARG HA . . 4.670 4.344 4.067 4.567 . 0 0 "[ . 1 . 2]" 1
1292 1 78 GLU HG3 1 83 THR HA . . 4.540 4.407 4.233 4.507 . 0 0 "[ . 1 . 2]" 1
1293 1 79 LEU H 1 79 LEU HB2 . . 3.680 3.083 2.892 3.336 . 0 0 "[ . 1 . 2]" 1
1294 1 79 LEU H 1 79 LEU HB3 . . 3.680 2.746 2.612 2.855 . 0 0 "[ . 1 . 2]" 1
1295 1 79 LEU H 1 79 LEU MD2 . . 4.730 4.512 4.410 4.633 . 0 0 "[ . 1 . 2]" 1
1296 1 79 LEU H 1 81 GLY H . . 4.390 4.130 3.638 4.357 . 0 0 "[ . 1 . 2]" 1
1297 1 79 LEU H 1 82 ARG H . . 3.280 2.800 2.460 3.123 . 0 0 "[ . 1 . 2]" 1
1298 1 79 LEU H 1 83 THR H . . 4.930 4.876 4.777 4.943 0.013 19 0 "[ . 1 . 2]" 1
1299 1 79 LEU H 1 83 THR HA . . 4.300 3.532 3.318 3.744 . 0 0 "[ . 1 . 2]" 1
1300 1 79 LEU H 1 84 ILE H . . 4.320 3.889 3.405 4.325 0.005 17 0 "[ . 1 . 2]" 1
1301 1 79 LEU H 1 84 ILE MG . . 3.740 3.525 3.337 3.737 . 0 0 "[ . 1 . 2]" 1
1302 1 79 LEU HA 1 79 LEU MD1 . . 3.060 2.217 2.005 2.460 . 0 0 "[ . 1 . 2]" 1
1303 1 79 LEU HA 1 79 LEU HG . . 4.160 2.979 2.818 3.175 . 0 0 "[ . 1 . 2]" 1
1304 1 79 LEU HA 1 80 PHE H . . 3.430 2.167 2.139 2.244 . 0 0 "[ . 1 . 2]" 1
1305 1 79 LEU HA 1 80 PHE HA . . 4.580 4.372 4.361 4.392 . 0 0 "[ . 1 . 2]" 1
1306 1 79 LEU HA 1 81 GLY H . . 4.310 3.657 3.389 3.947 . 0 0 "[ . 1 . 2]" 1
1307 1 79 LEU HA 1 82 ARG H . . 4.490 4.228 4.146 4.304 . 0 0 "[ . 1 . 2]" 1
1308 1 79 LEU HA 1 84 ILE MD . . 5.070 4.797 4.357 5.053 . 0 0 "[ . 1 . 2]" 1
1309 1 79 LEU QB 1 79 LEU MD1 . . 3.270 2.184 2.079 2.281 . 0 0 "[ . 1 . 2]" 1
1310 1 79 LEU QB 1 80 PHE QD . . 5.340 4.128 3.915 4.674 . 0 0 "[ . 1 . 2]" 1
1311 1 79 LEU QB 1 84 ILE MD . . 4.030 2.433 2.144 2.713 . 0 0 "[ . 1 . 2]" 1
1312 1 79 LEU QB 1 84 ILE MG . . 3.170 2.286 2.007 2.535 . 0 0 "[ . 1 . 2]" 1
1313 1 79 LEU HB2 1 79 LEU MD2 . . 3.570 2.443 2.362 2.547 . 0 0 "[ . 1 . 2]" 1
1314 1 79 LEU HB2 1 84 ILE MG . . 4.030 3.308 2.920 3.815 . 0 0 "[ . 1 . 2]" 1
1315 1 79 LEU HB3 1 79 LEU MD2 . . 3.570 2.217 2.116 2.318 . 0 0 "[ . 1 . 2]" 1
1316 1 79 LEU HB3 1 84 ILE MG . . 4.030 2.333 2.029 2.602 . 0 0 "[ . 1 . 2]" 1
1317 1 79 LEU MD1 1 80 PHE H . . 4.100 2.850 2.376 3.209 . 0 0 "[ . 1 . 2]" 1
1318 1 79 LEU MD1 1 80 PHE QD . . 3.680 2.580 1.985 3.130 . 0 0 "[ . 1 . 2]" 1
1319 1 79 LEU MD1 1 80 PHE QE . . 4.230 3.343 2.900 3.873 . 0 0 "[ . 1 . 2]" 1
1320 1 79 LEU HG 1 80 PHE H . . 4.480 2.927 2.291 3.292 . 0 0 "[ . 1 . 2]" 1
1321 1 79 LEU HG 1 80 PHE QB . . 4.880 2.907 2.565 3.222 . 0 0 "[ . 1 . 2]" 1
1322 1 79 LEU HG 1 80 PHE QD . . 4.090 2.234 1.993 3.266 . 0 0 "[ . 1 . 2]" 1
1323 1 79 LEU HG 1 80 PHE QE . . 5.020 3.943 3.712 4.433 . 0 0 "[ . 1 . 2]" 1
1324 1 79 LEU HG 1 81 GLY H . . 5.500 5.178 4.763 5.480 . 0 0 "[ . 1 . 2]" 1
1325 1 80 PHE H 1 80 PHE QD . . 4.460 2.342 2.029 2.640 . 0 0 "[ . 1 . 2]" 1
1326 1 80 PHE H 1 81 GLY H . . 3.710 2.724 2.587 2.867 . 0 0 "[ . 1 . 2]" 1
1327 1 80 PHE H 1 82 ARG H . . 4.710 4.183 4.025 4.395 . 0 0 "[ . 1 . 2]" 1
1328 1 80 PHE HA 1 80 PHE QD . . 4.360 2.712 2.085 2.964 . 0 0 "[ . 1 . 2]" 1
1329 1 80 PHE HA 1 81 GLY H . . 3.200 2.870 2.760 2.988 . 0 0 "[ . 1 . 2]" 1
1330 1 80 PHE HA 1 82 ARG H . . 4.780 4.587 4.380 4.782 0.002 13 0 "[ . 1 . 2]" 1
1331 1 80 PHE QB 1 81 GLY H . . 4.430 3.812 3.730 3.875 . 0 0 "[ . 1 . 2]" 1
1332 1 80 PHE QB 1 82 ARG H . . 4.290 3.885 3.588 4.104 . 0 0 "[ . 1 . 2]" 1
1333 1 81 GLY H 1 82 ARG H . . 3.150 2.591 2.486 2.695 . 0 0 "[ . 1 . 2]" 1
1334 1 82 ARG H 1 82 ARG QB . . 3.080 2.907 2.654 3.132 0.052 20 0 "[ . 1 . 2]" 1
1335 1 82 ARG H 1 82 ARG QD . . 4.410 4.142 2.357 4.493 0.083 19 0 "[ . 1 . 2]" 1
1336 1 82 ARG H 1 82 ARG QG . . 3.130 2.826 2.378 3.106 . 0 0 "[ . 1 . 2]" 1
1337 1 82 ARG H 1 83 THR H . . 4.500 4.407 4.374 4.445 . 0 0 "[ . 1 . 2]" 1
1338 1 82 ARG HA 1 82 ARG QG . . 3.420 2.981 2.466 3.398 . 0 0 "[ . 1 . 2]" 1
1339 1 82 ARG QB 1 82 ARG QD . . 3.160 2.268 2.031 2.607 . 0 0 "[ . 1 . 2]" 1
1340 1 82 ARG QB 1 83 THR H . . 3.230 2.486 2.230 2.694 . 0 0 "[ . 1 . 2]" 1
1341 1 82 ARG HB2 1 82 ARG QD . . 3.620 2.623 2.115 3.527 . 0 0 "[ . 1 . 2]" 1
1342 1 82 ARG HB2 1 83 THR H . . 4.020 2.981 2.248 3.801 . 0 0 "[ . 1 . 2]" 1
1343 1 82 ARG HB3 1 82 ARG QD . . 3.620 2.665 2.071 3.251 . 0 0 "[ . 1 . 2]" 1
1344 1 82 ARG HB3 1 83 THR H . . 4.020 3.324 2.306 4.043 0.023 17 0 "[ . 1 . 2]" 1
1345 1 82 ARG QD 1 83 THR H . . 4.940 4.704 3.618 4.956 0.016 20 0 "[ . 1 . 2]" 1
1346 1 82 ARG QD 1 84 ILE MG . . 5.480 3.543 2.690 4.496 . 0 0 "[ . 1 . 2]" 1
1347 1 82 ARG QG 1 83 THR H . . 4.090 3.426 2.696 3.974 . 0 0 "[ . 1 . 2]" 1
1348 1 83 THR H 1 83 THR HB . . 2.820 2.609 2.518 2.675 . 0 0 "[ . 1 . 2]" 1
1349 1 83 THR H 1 83 THR MG . . 3.880 3.827 3.789 3.852 . 0 0 "[ . 1 . 2]" 1
1350 1 83 THR H 1 84 ILE H . . 4.680 4.383 4.108 4.587 . 0 0 "[ . 1 . 2]" 1
1351 1 83 THR H 1 84 ILE MG . . 4.610 4.421 4.223 4.604 . 0 0 "[ . 1 . 2]" 1
1352 1 83 THR HA 1 83 THR MG . . 3.140 2.291 2.193 2.399 . 0 0 "[ . 1 . 2]" 1
1353 1 83 THR HA 1 84 ILE H . . 3.210 2.170 2.141 2.230 . 0 0 "[ . 1 . 2]" 1
1354 1 83 THR HA 1 84 ILE MG . . 4.110 3.829 3.666 4.082 . 0 0 "[ . 1 . 2]" 1
1355 1 83 THR HB 1 84 ILE H . . 4.500 4.177 3.917 4.398 . 0 0 "[ . 1 . 2]" 1
1356 1 83 THR MG 1 84 ILE H . . 3.460 2.642 2.048 3.128 . 0 0 "[ . 1 . 2]" 1
1357 1 83 THR MG 1 84 ILE HA . . 4.550 3.945 3.659 4.269 . 0 0 "[ . 1 . 2]" 1
1358 1 83 THR MG 1 85 ARG HA . . 5.210 4.501 4.350 4.683 . 0 0 "[ . 1 . 2]" 1
1359 1 83 THR MG 1 85 ARG QD . . 5.170 4.555 3.025 5.145 . 0 0 "[ . 1 . 2]" 1
1360 1 84 ILE H 1 84 ILE MD . . 4.000 3.807 3.709 3.918 . 0 0 "[ . 1 . 2]" 1
1361 1 84 ILE H 1 84 ILE HG12 . . 3.930 2.231 2.123 2.455 . 0 0 "[ . 1 . 2]" 1
1362 1 84 ILE H 1 84 ILE QG . . 3.450 2.117 2.022 2.242 . 0 0 "[ . 1 . 2]" 1
1363 1 84 ILE H 1 84 ILE HG13 . . 3.930 2.659 2.385 2.784 . 0 0 "[ . 1 . 2]" 1
1364 1 84 ILE H 1 84 ILE MG . . 3.570 2.762 2.458 3.104 . 0 0 "[ . 1 . 2]" 1
1365 1 84 ILE H 1 85 ARG H . . 4.670 4.525 4.444 4.594 . 0 0 "[ . 1 . 2]" 1
1366 1 84 ILE HA 1 84 ILE MG . . 3.170 2.348 2.255 2.396 . 0 0 "[ . 1 . 2]" 1
1367 1 84 ILE HA 1 85 ARG H . . 3.130 2.339 2.254 2.509 . 0 0 "[ . 1 . 2]" 1
1368 1 84 ILE HB 1 84 ILE MD . . 3.240 2.226 2.177 2.338 . 0 0 "[ . 1 . 2]" 1
1369 1 84 ILE HB 1 85 ARG H . . 3.490 2.545 2.154 2.780 . 0 0 "[ . 1 . 2]" 1
1370 1 84 ILE HB 1 86 VAL MG2 . . 4.510 3.693 3.313 3.908 . 0 0 "[ . 1 . 2]" 1
1371 1 84 ILE MD 1 85 ARG H . . 4.530 4.224 3.736 4.486 . 0 0 "[ . 1 . 2]" 1
1372 1 84 ILE MD 1 86 VAL MG2 . . 3.050 2.636 2.486 2.841 . 0 0 "[ . 1 . 2]" 1
1373 1 84 ILE QG 1 84 ILE MG . . 3.270 2.250 2.101 2.304 . 0 0 "[ . 1 . 2]" 1
1374 1 84 ILE QG 1 85 ARG H . . 4.420 3.774 3.463 4.065 . 0 0 "[ . 1 . 2]" 1
1375 1 84 ILE QG 1 86 VAL MG2 . . 4.000 3.147 2.835 3.356 . 0 0 "[ . 1 . 2]" 1
1376 1 84 ILE MG 1 85 ARG H . . 3.760 3.649 3.507 3.747 . 0 0 "[ . 1 . 2]" 1
1377 1 85 ARG H 1 85 ARG HB2 . . 3.750 2.551 2.373 2.885 . 0 0 "[ . 1 . 2]" 1
1378 1 85 ARG H 1 85 ARG QB . . 3.190 2.427 2.340 2.483 . 0 0 "[ . 1 . 2]" 1
1379 1 85 ARG H 1 85 ARG HB3 . . 3.750 3.333 2.612 3.705 . 0 0 "[ . 1 . 2]" 1
1380 1 85 ARG H 1 85 ARG QD . . 4.740 4.335 2.735 4.738 . 0 0 "[ . 1 . 2]" 1
1381 1 85 ARG H 1 85 ARG HG2 . . 4.960 4.183 3.547 4.820 . 0 0 "[ . 1 . 2]" 1
1382 1 85 ARG H 1 85 ARG QG . . 4.270 3.570 2.821 4.158 . 0 0 "[ . 1 . 2]" 1
1383 1 85 ARG H 1 85 ARG HG3 . . 4.960 3.952 2.951 4.543 . 0 0 "[ . 1 . 2]" 1
1384 1 85 ARG H 1 86 VAL H . . 4.610 4.432 4.353 4.532 . 0 0 "[ . 1 . 2]" 1
1385 1 85 ARG H 1 86 VAL MG2 . . 4.440 4.063 3.912 4.181 . 0 0 "[ . 1 . 2]" 1
1386 1 85 ARG HA 1 85 ARG QD . . 3.850 3.131 2.018 3.810 . 0 0 "[ . 1 . 2]" 1
1387 1 85 ARG HA 1 85 ARG HG2 . . 4.110 2.903 2.316 3.769 . 0 0 "[ . 1 . 2]" 1
1388 1 85 ARG HA 1 85 ARG QG . . 3.580 2.332 2.145 2.817 . 0 0 "[ . 1 . 2]" 1
1389 1 85 ARG HA 1 85 ARG HG3 . . 4.110 2.906 2.165 3.618 . 0 0 "[ . 1 . 2]" 1
1390 1 85 ARG HA 1 86 VAL H . . 3.100 2.179 2.146 2.236 . 0 0 "[ . 1 . 2]" 1
1391 1 85 ARG HA 1 86 VAL MG2 . . 4.180 3.600 3.289 3.765 . 0 0 "[ . 1 . 2]" 1
1392 1 85 ARG QB 1 85 ARG QD . . 3.370 2.206 2.044 2.622 . 0 0 "[ . 1 . 2]" 1
1393 1 85 ARG QB 1 86 VAL H . . 4.010 3.286 2.827 3.706 . 0 0 "[ . 1 . 2]" 1
1394 1 85 ARG HB2 1 86 VAL H . . 4.600 4.260 4.007 4.431 . 0 0 "[ . 1 . 2]" 1
1395 1 85 ARG HB3 1 86 VAL H . . 4.600 3.443 2.890 3.975 . 0 0 "[ . 1 . 2]" 1
1396 1 85 ARG QD 1 86 VAL H . . 5.010 4.144 2.648 4.981 . 0 0 "[ . 1 . 2]" 1
1397 1 85 ARG QG 1 86 VAL H . . 4.390 3.501 2.139 4.136 . 0 0 "[ . 1 . 2]" 1
1398 1 86 VAL H 1 86 VAL HB . . 3.710 2.735 2.648 2.855 . 0 0 "[ . 1 . 2]" 1
1399 1 86 VAL H 1 86 VAL MG2 . . 3.520 2.829 2.647 3.065 . 0 0 "[ . 1 . 2]" 1
1400 1 86 VAL H 1 87 ASN QB . . 5.230 4.271 4.095 4.438 . 0 0 "[ . 1 . 2]" 1
1401 1 86 VAL HA 1 86 VAL MG1 . . 3.300 2.330 2.157 2.426 . 0 0 "[ . 1 . 2]" 1
1402 1 86 VAL HA 1 86 VAL MG2 . . 3.390 2.353 2.253 2.510 . 0 0 "[ . 1 . 2]" 1
1403 1 86 VAL HA 1 87 ASN H . . 3.120 2.190 2.147 2.255 . 0 0 "[ . 1 . 2]" 1
1404 1 86 VAL HB 1 87 ASN H . . 4.350 4.006 3.850 4.193 . 0 0 "[ . 1 . 2]" 1
1405 1 86 VAL MG1 1 87 ASN H . . 3.350 2.291 1.939 2.703 . 0 0 "[ . 1 . 2]" 1
1406 1 86 VAL MG1 1 87 ASN HA . . 4.460 3.294 3.083 3.627 . 0 0 "[ . 1 . 2]" 1
1407 1 86 VAL MG1 1 87 ASN QB . . 4.530 4.195 4.051 4.418 . 0 0 "[ . 1 . 2]" 1
1408 1 87 ASN HA 1 88 LEU H . . 3.310 2.418 2.355 2.576 . 0 0 "[ . 1 . 2]" 1
1409 1 87 ASN QB 1 88 LEU H . . 3.250 3.073 2.338 3.255 0.005 11 0 "[ . 1 . 2]" 1
1410 1 87 ASN QB 1 88 LEU QB . . 4.730 4.421 3.788 4.703 . 0 0 "[ . 1 . 2]" 1
1411 1 87 ASN HB2 1 88 LEU H . . 4.010 3.655 2.361 4.011 0.001 19 0 "[ . 1 . 2]" 1
1412 1 87 ASN HB3 1 88 LEU H . . 4.010 3.480 2.984 3.940 . 0 0 "[ . 1 . 2]" 1
1413 1 87 ASN QD 1 88 LEU H . . 4.120 3.064 2.321 4.011 . 0 0 "[ . 1 . 2]" 1
1414 1 87 ASN HD21 1 88 LEU H . . 4.770 3.444 2.569 4.529 . 0 0 "[ . 1 . 2]" 1
1415 1 87 ASN HD22 1 88 LEU H . . 4.770 3.551 2.646 4.704 . 0 0 "[ . 1 . 2]" 1
1416 1 88 LEU H 1 88 LEU HB2 . . 3.840 2.352 2.269 2.476 . 0 0 "[ . 1 . 2]" 1
1417 1 88 LEU H 1 88 LEU QB . . 3.230 2.321 2.243 2.434 . 0 0 "[ . 1 . 2]" 1
1418 1 88 LEU H 1 88 LEU HB3 . . 3.840 3.562 3.542 3.584 . 0 0 "[ . 1 . 2]" 1
1419 1 88 LEU H 1 88 LEU MD1 . . 4.280 3.692 3.516 3.892 . 0 0 "[ . 1 . 2]" 1
1420 1 88 LEU H 1 88 LEU MD2 . . 4.170 3.527 3.194 3.822 . 0 0 "[ . 1 . 2]" 1
1421 1 88 LEU H 1 88 LEU HG . . 3.010 2.515 2.253 2.730 . 0 0 "[ . 1 . 2]" 1
1422 1 88 LEU HA 1 88 LEU MD2 . . 2.980 1.999 1.932 2.271 . 0 0 "[ . 1 . 2]" 1
1423 1 88 LEU HA 1 89 ALA H . . 3.070 2.184 2.157 2.222 . 0 0 "[ . 1 . 2]" 1
1424 1 88 LEU QB 1 88 LEU MD1 . . 2.960 2.058 2.020 2.098 . 0 0 "[ . 1 . 2]" 1
1425 1 88 LEU QB 1 89 ALA H . . 3.720 3.032 2.900 3.159 . 0 0 "[ . 1 . 2]" 1
1426 1 88 LEU HB2 1 88 LEU MD1 . . 3.590 2.294 2.140 2.457 . 0 0 "[ . 1 . 2]" 1
1427 1 88 LEU HB2 1 88 LEU MD2 . . 3.630 3.184 3.173 3.194 . 0 0 "[ . 1 . 2]" 1
1428 1 88 LEU HB2 1 89 ALA H . . 4.300 4.200 4.041 4.294 . 0 0 "[ . 1 . 2]" 1
1429 1 88 LEU HB3 1 88 LEU MD1 . . 3.590 2.350 2.184 2.476 . 0 0 "[ . 1 . 2]" 1
1430 1 88 LEU HB3 1 88 LEU MD2 . . 3.630 2.348 2.185 2.445 . 0 0 "[ . 1 . 2]" 1
1431 1 88 LEU HB3 1 89 ALA H . . 4.300 3.110 2.962 3.253 . 0 0 "[ . 1 . 2]" 1
1432 1 88 LEU MD1 1 89 ALA H . . 4.920 4.835 4.628 4.915 . 0 0 "[ . 1 . 2]" 1
1433 1 88 LEU MD2 1 89 ALA H . . 3.490 3.091 2.825 3.373 . 0 0 "[ . 1 . 2]" 1
1434 1 89 ALA H 1 89 ALA MB . . 3.060 2.151 2.043 2.232 . 0 0 "[ . 1 . 2]" 1
1435 1 89 ALA H 1 90 LYS H . . 4.810 4.550 4.313 4.647 . 0 0 "[ . 1 . 2]" 1
1436 1 89 ALA HA 1 90 LYS H . . 3.160 2.202 2.141 2.371 . 0 0 "[ . 1 . 2]" 1
1437 1 89 ALA MB 1 90 LYS H . . 3.600 3.003 2.492 3.463 . 0 0 "[ . 1 . 2]" 1
1438 1 90 LYS H 1 90 LYS HB2 . . 3.990 3.404 2.329 3.751 . 0 0 "[ . 1 . 2]" 1
1439 1 90 LYS H 1 90 LYS QB . . 3.370 2.361 2.165 2.721 . 0 0 "[ . 1 . 2]" 1
1440 1 90 LYS H 1 90 LYS HB3 . . 3.990 2.580 2.187 3.583 . 0 0 "[ . 1 . 2]" 1
1441 1 90 LYS H 1 90 LYS QG . . 3.730 2.529 2.254 3.227 . 0 0 "[ . 1 . 2]" 1
1442 1 90 LYS HA 1 90 LYS QG . . 3.700 3.166 2.258 3.374 . 0 0 "[ . 1 . 2]" 1
1443 1 90 LYS HA 1 91 PRO HD2 . . 3.250 2.356 2.271 2.488 . 0 0 "[ . 1 . 2]" 1
1444 1 90 LYS HA 1 91 PRO HD3 . . 3.250 2.287 2.264 2.338 . 0 0 "[ . 1 . 2]" 1
1445 1 90 LYS QB 1 90 LYS QE . . 4.580 2.956 2.014 3.657 . 0 0 "[ . 1 . 2]" 1
1446 1 90 LYS QB 1 91 PRO QD . . 3.190 2.061 1.947 2.206 . 0 0 "[ . 1 . 2]" 1
1447 1 90 LYS HB2 1 91 PRO HD2 . . 4.730 2.330 1.973 3.700 . 0 0 "[ . 1 . 2]" 1
1448 1 90 LYS HB2 1 91 PRO HD3 . . 4.730 3.679 3.278 4.752 0.022 18 0 "[ . 1 . 2]" 1
1449 1 90 LYS HB3 1 91 PRO HD2 . . 4.730 3.368 2.049 3.703 . 0 0 "[ . 1 . 2]" 1
1450 1 90 LYS HB3 1 91 PRO HD3 . . 4.730 4.386 3.493 4.621 . 0 0 "[ . 1 . 2]" 1
1451 1 90 LYS QG 1 91 PRO HD2 . . 4.540 3.383 2.564 3.628 . 0 0 "[ . 1 . 2]" 1
1452 1 90 LYS QG 1 91 PRO QD . . 3.840 3.270 2.505 3.492 . 0 0 "[ . 1 . 2]" 1
1453 1 90 LYS QG 1 91 PRO HD3 . . 4.540 4.352 3.512 4.545 0.005 7 0 "[ . 1 . 2]" 1
1454 1 90 LYS QG 1 92 MET H . . 4.690 4.211 3.789 4.789 0.099 16 0 "[ . 1 . 2]" 1
1455 1 91 PRO HA 1 92 MET H . . 3.220 2.384 2.152 3.351 0.131 18 0 "[ . 1 . 2]" 1
1456 1 91 PRO QB 1 92 MET H . . 3.750 3.495 1.880 3.709 . 0 0 "[ . 1 . 2]" 1
1457 1 91 PRO HB2 1 92 MET H . . 4.350 3.753 1.895 4.020 . 0 0 "[ . 1 . 2]" 1
1458 1 91 PRO HB3 1 92 MET H . . 4.350 4.204 3.145 4.466 0.116 13 0 "[ . 1 . 2]" 1
1459 1 92 MET H 1 92 MET QB . . 3.470 2.481 2.128 2.947 . 0 0 "[ . 1 . 2]" 1
1460 1 92 MET H 1 92 MET QG . . 4.430 3.325 1.928 4.376 . 0 0 "[ . 1 . 2]" 1
1461 1 92 MET HA 1 92 MET ME . . 4.410 3.735 2.021 4.408 . 0 0 "[ . 1 . 2]" 1
1462 1 92 MET ME 1 94 ILE HA . . 4.230 4.002 3.416 4.247 0.017 15 0 "[ . 1 . 2]" 1
1463 1 92 MET ME 1 94 ILE MD . . 4.500 3.927 2.837 4.479 . 0 0 "[ . 1 . 2]" 1
1464 1 92 MET ME 1 94 ILE MG . . 4.210 2.114 1.758 3.247 . 0 0 "[ . 1 . 2]" 1
1465 1 93 ARG H 1 93 ARG QB . . 3.650 2.669 2.334 3.207 . 0 0 "[ . 1 . 2]" 1
1466 1 93 ARG H 1 93 ARG QD . . 5.390 4.636 4.171 5.329 . 0 0 "[ . 1 . 2]" 1
1467 1 93 ARG H 1 94 ILE MG . . 4.680 4.039 2.946 4.702 0.022 15 0 "[ . 1 . 2]" 1
1468 1 93 ARG HA 1 93 ARG HG2 . . 4.240 3.003 2.174 3.934 . 0 0 "[ . 1 . 2]" 1
1469 1 93 ARG HA 1 93 ARG QG . . 3.710 2.558 2.136 3.342 . 0 0 "[ . 1 . 2]" 1
1470 1 93 ARG HA 1 93 ARG HG3 . . 4.240 3.109 2.336 3.669 . 0 0 "[ . 1 . 2]" 1
1471 1 93 ARG HA 1 94 ILE H . . 2.910 2.221 2.140 2.359 . 0 0 "[ . 1 . 2]" 1
1472 1 93 ARG HA 1 94 ILE MG . . 4.130 3.741 3.352 4.110 . 0 0 "[ . 1 . 2]" 1
1473 1 93 ARG QB 1 94 ILE H . . 4.220 3.411 2.523 3.983 . 0 0 "[ . 1 . 2]" 1
1474 1 93 ARG QD 1 94 ILE H . . 4.730 3.864 2.720 4.723 . 0 0 "[ . 1 . 2]" 1
1475 1 93 ARG QG 1 94 ILE H . . 4.250 3.194 1.917 4.169 . 0 0 "[ . 1 . 2]" 1
1476 1 94 ILE H 1 94 ILE HB . . 3.860 3.756 3.617 3.854 . 0 0 "[ . 1 . 2]" 1
1477 1 94 ILE H 1 94 ILE HG12 . . 3.970 2.616 2.039 3.615 . 0 0 "[ . 1 . 2]" 1
1478 1 94 ILE H 1 94 ILE QG . . 3.410 2.322 1.928 3.267 . 0 0 "[ . 1 . 2]" 1
1479 1 94 ILE H 1 94 ILE HG13 . . 3.970 2.906 1.937 3.918 . 0 0 "[ . 1 . 2]" 1
1480 1 94 ILE H 1 94 ILE MG . . 3.900 2.857 2.269 3.309 . 0 0 "[ . 1 . 2]" 1
1481 1 94 ILE H 1 95 LYS H . . 4.760 3.827 2.162 4.621 . 0 0 "[ . 1 . 2]" 1
1482 1 94 ILE HA 1 94 ILE MD . . 4.320 3.943 3.419 4.177 . 0 0 "[ . 1 . 2]" 1
1483 1 94 ILE HA 1 94 ILE QG . . 3.630 3.338 3.255 3.471 . 0 0 "[ . 1 . 2]" 1
1484 1 94 ILE HA 1 94 ILE MG . . 3.210 2.327 2.087 2.572 . 0 0 "[ . 1 . 2]" 1
1485 1 94 ILE HA 1 95 LYS H . . 3.160 2.506 2.142 3.051 . 0 0 "[ . 1 . 2]" 1
1486 1 94 ILE HB 1 94 ILE MD . . 3.470 2.535 2.144 3.227 . 0 0 "[ . 1 . 2]" 1
1487 1 94 ILE HB 1 95 LYS H . . 4.500 3.310 2.008 4.479 . 0 0 "[ . 1 . 2]" 1
1488 1 94 ILE QG 1 94 ILE MG . . 3.030 2.207 1.970 2.443 . 0 0 "[ . 1 . 2]" 1
1489 1 94 ILE QG 1 95 LYS H . . 4.640 3.783 3.004 4.463 . 0 0 "[ . 1 . 2]" 1
1490 1 94 ILE HG12 1 94 ILE MG . . 3.570 2.449 2.031 3.196 . 0 0 "[ . 1 . 2]" 1
1491 1 94 ILE HG13 1 94 ILE MG . . 3.570 2.935 2.280 3.199 . 0 0 "[ . 1 . 2]" 1
1492 1 94 ILE MG 1 95 LYS H . . 4.270 3.913 3.385 4.326 0.056 18 0 "[ . 1 . 2]" 1
1493 1 95 LYS H 1 95 LYS HB2 . . 3.740 2.997 2.333 3.630 . 0 0 "[ . 1 . 2]" 1
1494 1 95 LYS H 1 95 LYS QB . . 3.210 2.602 2.233 2.899 . 0 0 "[ . 1 . 2]" 1
1495 1 95 LYS H 1 95 LYS HB3 . . 3.740 3.044 2.560 3.725 . 0 0 "[ . 1 . 2]" 1
1496 1 95 LYS H 1 95 LYS QG . . 4.390 3.832 1.981 4.381 . 0 0 "[ . 1 . 2]" 1
1497 1 95 LYS HA 1 95 LYS QD . . 4.320 3.408 2.044 4.342 0.022 14 0 "[ . 1 . 2]" 1
1498 1 95 LYS HA 1 95 LYS QG . . 3.810 2.548 2.296 3.402 . 0 0 "[ . 1 . 2]" 1
1499 1 95 LYS HA 1 96 GLU H . . 3.380 2.408 2.141 3.427 0.047 20 0 "[ . 1 . 2]" 1
1500 1 95 LYS QB 1 96 GLU H . . 3.910 3.396 2.204 3.913 0.003 3 0 "[ . 1 . 2]" 1
1501 1 95 LYS HB2 1 96 GLU H . . 4.450 4.082 2.221 4.508 0.058 5 0 "[ . 1 . 2]" 1
1502 1 95 LYS HB3 1 96 GLU H . . 4.450 3.752 2.441 4.389 . 0 0 "[ . 1 . 2]" 1
1503 1 95 LYS QG 1 96 GLU H . . 4.500 3.230 1.799 4.521 0.021 8 0 "[ . 1 . 2]" 1
1504 1 96 GLU H 1 96 GLU QB . . 3.560 2.557 2.195 3.282 . 0 0 "[ . 1 . 2]" 1
1505 1 96 GLU H 1 96 GLU QG . . 4.390 3.651 2.160 4.272 . 0 0 "[ . 1 . 2]" 1
1506 1 96 GLU HA 1 96 GLU QG . . 3.680 2.538 2.156 3.486 . 0 0 "[ . 1 . 2]" 1
1507 1 97 SER QB 1 98 GLY H . . 4.750 2.719 1.951 3.710 . 0 0 "[ . 1 . 2]" 1
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