NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406389 |
1xn5   |
6369 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xn5
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 2189
_Distance_constraint_stats_list.Viol_count 449
_Distance_constraint_stats_list.Viol_total 128.808
_Distance_constraint_stats_list.Viol_max 0.131
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0143
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 THR 0.101 0.101 1 0 "[ . 1 . 2]"
1 3 ARG 0.160 0.101 1 0 "[ . 1 . 2]"
1 4 LEU 0.042 0.019 6 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.013 0.013 13 0 "[ . 1 . 2]"
1 10 GLU 0.013 0.013 13 0 "[ . 1 . 2]"
1 11 VAL 0.003 0.002 17 0 "[ . 1 . 2]"
1 12 ARG 0.105 0.062 2 0 "[ . 1 . 2]"
1 13 PHE 0.036 0.019 16 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 0.007 0.007 18 0 "[ . 1 . 2]"
1 18 GLU 0.024 0.007 2 0 "[ . 1 . 2]"
1 19 LYS 0.081 0.022 7 0 "[ . 1 . 2]"
1 20 VAL 0.041 0.022 7 0 "[ . 1 . 2]"
1 21 TRP 0.091 0.026 15 0 "[ . 1 . 2]"
1 22 GLU 0.176 0.034 10 0 "[ . 1 . 2]"
1 23 ALA 0.102 0.024 15 0 "[ . 1 . 2]"
1 24 VAL 0.022 0.022 6 0 "[ . 1 . 2]"
1 25 SER 0.243 0.075 15 0 "[ . 1 . 2]"
1 26 THR 0.070 0.024 16 0 "[ . 1 . 2]"
1 27 SER 0.437 0.082 16 0 "[ . 1 . 2]"
1 28 GLU 0.372 0.041 15 0 "[ . 1 . 2]"
1 29 GLY 0.031 0.016 20 0 "[ . 1 . 2]"
1 30 LEU 0.033 0.014 16 0 "[ . 1 . 2]"
1 31 ALA 0.579 0.045 17 0 "[ . 1 . 2]"
1 32 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 TRP 0.001 0.001 2 0 "[ . 1 . 2]"
1 34 PHE 0.168 0.020 12 0 "[ . 1 . 2]"
1 35 MET 0.219 0.021 5 0 "[ . 1 . 2]"
1 36 GLU 0.686 0.045 17 0 "[ . 1 . 2]"
1 37 ASN 0.065 0.017 11 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LYS 0.059 0.029 2 0 "[ . 1 . 2]"
1 41 ALA 0.242 0.029 2 0 "[ . 1 . 2]"
1 42 GLU 0.653 0.058 16 0 "[ . 1 . 2]"
1 43 THR 0.239 0.056 17 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 HIS 0.013 0.007 16 0 "[ . 1 . 2]"
1 46 HIS 0.069 0.017 6 0 "[ . 1 . 2]"
1 47 PHE 0.070 0.017 6 0 "[ . 1 . 2]"
1 48 HIS 0.004 0.004 4 0 "[ . 1 . 2]"
1 49 LEU 0.009 0.008 11 0 "[ . 1 . 2]"
1 50 GLN 0.105 0.018 16 0 "[ . 1 . 2]"
1 51 SER 0.112 0.055 4 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 0.028 0.012 4 0 "[ . 1 . 2]"
1 56 SER 0.008 0.004 4 0 "[ . 1 . 2]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 CYS 0.062 0.021 12 0 "[ . 1 . 2]"
1 59 GLN 0.003 0.003 20 0 "[ . 1 . 2]"
1 60 VAL 0.011 0.007 5 0 "[ . 1 . 2]"
1 61 THR 0.005 0.005 16 0 "[ . 1 . 2]"
1 62 ASP 0.307 0.041 5 0 "[ . 1 . 2]"
1 63 VAL 0.581 0.041 5 0 "[ . 1 . 2]"
1 64 GLU 0.013 0.013 18 0 "[ . 1 . 2]"
1 65 ARG 0.415 0.069 15 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 0.324 0.069 15 0 "[ . 1 . 2]"
1 68 LYS 0.103 0.020 11 0 "[ . 1 . 2]"
1 69 LEU 0.028 0.014 7 0 "[ . 1 . 2]"
1 70 SER 0.011 0.004 16 0 "[ . 1 . 2]"
1 71 PHE 0.200 0.033 8 0 "[ . 1 . 2]"
1 72 THR 0.215 0.033 8 0 "[ . 1 . 2]"
1 73 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 THR 0.015 0.015 14 0 "[ . 1 . 2]"
1 76 ASP 0.128 0.043 5 0 "[ . 1 . 2]"
1 77 GLY 0.146 0.043 5 0 "[ . 1 . 2]"
1 78 TRP 0.033 0.031 12 0 "[ . 1 . 2]"
1 79 SER 0.027 0.011 2 0 "[ . 1 . 2]"
1 80 VAL 0.049 0.011 2 0 "[ . 1 . 2]"
1 81 THR 0.017 0.004 1 0 "[ . 1 . 2]"
1 82 PHE 0.012 0.009 12 0 "[ . 1 . 2]"
1 83 HIS 0.114 0.040 16 0 "[ . 1 . 2]"
1 84 LEU 0.085 0.013 5 0 "[ . 1 . 2]"
1 85 LYS 0.331 0.054 18 0 "[ . 1 . 2]"
1 86 GLU 0.414 0.054 18 0 "[ . 1 . 2]"
1 87 GLU 0.073 0.019 8 0 "[ . 1 . 2]"
1 88 GLU 0.057 0.019 8 0 "[ . 1 . 2]"
1 89 ASN 0.056 0.026 20 0 "[ . 1 . 2]"
1 90 GLY 0.082 0.026 20 0 "[ . 1 . 2]"
1 91 THR 0.050 0.024 19 0 "[ . 1 . 2]"
1 92 ILE 0.106 0.020 20 0 "[ . 1 . 2]"
1 93 PHE 0.013 0.007 15 0 "[ . 1 . 2]"
1 94 THR 0.002 0.002 13 0 "[ . 1 . 2]"
1 95 ILE 0.176 0.085 9 0 "[ . 1 . 2]"
1 96 VAL 0.024 0.011 7 0 "[ . 1 . 2]"
1 97 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 SER 0.002 0.002 5 0 "[ . 1 . 2]"
1 99 GLY 0.003 0.002 8 0 "[ . 1 . 2]"
1 100 TRP 0.006 0.006 9 0 "[ . 1 . 2]"
1 101 LYS 0.016 0.010 2 0 "[ . 1 . 2]"
1 102 GLN 0.038 0.027 6 0 "[ . 1 . 2]"
1 103 GLY 0.018 0.007 3 0 "[ . 1 . 2]"
1 104 ASP 0.068 0.057 13 0 "[ . 1 . 2]"
1 105 THR 0.233 0.131 17 0 "[ . 1 . 2]"
1 106 LYS 0.257 0.131 17 0 "[ . 1 . 2]"
1 107 VAL 0.051 0.031 16 0 "[ . 1 . 2]"
1 108 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.002 0.002 4 0 "[ . 1 . 2]"
1 110 ALA 0.040 0.031 6 0 "[ . 1 . 2]"
1 111 GLY 0.040 0.031 6 0 "[ . 1 . 2]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLU 0.001 0.001 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET ME 1 2 THR MG . . 8.060 4.484 2.957 5.500 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR HA 1 3 ARG H . . 3.190 2.510 2.150 2.933 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR HB 1 3 ARG H . . 4.600 3.665 2.062 4.701 0.101 1 0 "[ . 1 . 2]" 1
4 1 2 THR MG 1 3 ARG H . . 6.090 3.348 1.869 4.388 . 0 0 "[ . 1 . 2]" 1
5 1 3 ARG H 1 3 ARG HG2 . . 4.630 3.644 2.183 4.568 . 0 0 "[ . 1 . 2]" 1
6 1 3 ARG H 1 3 ARG QG . . 4.300 2.977 2.137 3.947 . 0 0 "[ . 1 . 2]" 1
7 1 3 ARG H 1 3 ARG HG3 . . 4.630 3.513 2.604 4.487 . 0 0 "[ . 1 . 2]" 1
8 1 3 ARG H 1 4 LEU H . . 6.000 4.524 4.172 4.671 . 0 0 "[ . 1 . 2]" 1
9 1 3 ARG H 1 103 GLY H . . 4.810 4.489 2.545 4.817 0.007 3 0 "[ . 1 . 2]" 1
10 1 3 ARG HA 1 3 ARG QG . . 3.980 2.606 1.987 3.412 . 0 0 "[ . 1 . 2]" 1
11 1 3 ARG HA 1 4 LEU H . . 2.980 2.601 2.316 2.792 . 0 0 "[ . 1 . 2]" 1
12 1 3 ARG HA 1 102 GLN H . . 5.820 5.093 4.130 5.705 . 0 0 "[ . 1 . 2]" 1
13 1 3 ARG HA 1 102 GLN HA . . 2.980 2.534 1.995 2.978 . 0 0 "[ . 1 . 2]" 1
14 1 3 ARG HA 1 102 GLN QB . . 6.880 3.865 2.826 4.885 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG HA 1 102 GLN QG . . 6.880 3.863 1.992 5.355 . 0 0 "[ . 1 . 2]" 1
16 1 3 ARG QB 1 4 LEU H . . 4.090 2.412 1.939 3.592 . 0 0 "[ . 1 . 2]" 1
17 1 3 ARG HB2 1 4 LEU H . . 4.310 3.216 1.965 4.321 0.011 18 0 "[ . 1 . 2]" 1
18 1 3 ARG HB3 1 4 LEU H . . 4.310 2.992 1.959 4.121 . 0 0 "[ . 1 . 2]" 1
19 1 3 ARG QD 1 4 LEU H . . 6.880 4.380 3.137 5.147 . 0 0 "[ . 1 . 2]" 1
20 1 3 ARG QG 1 4 LEU H . . 4.100 3.183 2.046 3.750 . 0 0 "[ . 1 . 2]" 1
21 1 3 ARG QG 1 102 GLN QB . . 7.500 4.067 2.012 5.973 . 0 0 "[ . 1 . 2]" 1
22 1 3 ARG QG 1 102 GLN QG . . 7.760 4.205 2.310 6.189 . 0 0 "[ . 1 . 2]" 1
23 1 3 ARG HG2 1 4 LEU H . . 4.420 3.603 2.251 4.439 0.019 6 0 "[ . 1 . 2]" 1
24 1 3 ARG HG3 1 4 LEU H . . 4.420 3.808 2.075 4.433 0.013 1 0 "[ . 1 . 2]" 1
25 1 4 LEU H 1 4 LEU HB2 . . 3.590 2.492 2.211 2.887 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU H 1 4 LEU MD1 . . 4.650 3.464 3.026 3.830 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU H 1 4 LEU MD2 . . 5.550 3.677 3.214 4.166 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU H 1 4 LEU HG . . 3.300 2.459 1.941 3.133 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU H 1 100 TRP HB2 . . 6.000 4.715 3.709 5.724 . 0 0 "[ . 1 . 2]" 1
30 1 4 LEU H 1 100 TRP HB3 . . 6.000 5.187 4.604 5.814 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU H 1 102 GLN HA . . 3.800 3.165 1.975 3.783 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU HA 1 4 LEU MD2 . . 3.610 2.269 1.976 2.624 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU HA 1 5 PRO HD2 . . 3.340 2.433 2.185 2.730 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU HA 1 5 PRO QD . . 3.090 1.882 1.841 1.954 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU HA 1 5 PRO HD3 . . 3.340 1.972 1.912 2.092 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU HB2 1 5 PRO QD . . 5.760 3.893 3.315 4.291 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU HB2 1 100 TRP HB2 . . 4.990 2.958 2.280 4.261 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU HB2 1 100 TRP HB3 . . 4.600 3.276 2.742 3.745 . 0 0 "[ . 1 . 2]" 1
39 1 4 LEU HB3 1 5 PRO HD2 . . 5.100 2.844 2.077 3.674 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU HB3 1 5 PRO QD . . 4.740 2.752 2.041 3.490 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU HB3 1 5 PRO HD3 . . 5.100 3.719 3.007 4.353 . 0 0 "[ . 1 . 2]" 1
42 1 4 LEU HB3 1 100 TRP HB2 . . 5.750 3.899 3.013 4.857 . 0 0 "[ . 1 . 2]" 1
43 1 4 LEU HB3 1 100 TRP HB3 . . 6.000 4.128 3.049 5.206 . 0 0 "[ . 1 . 2]" 1
44 1 4 LEU MD1 1 100 TRP HB2 . . 6.700 3.388 1.987 4.998 . 0 0 "[ . 1 . 2]" 1
45 1 4 LEU MD1 1 100 TRP HB3 . . 6.060 2.601 1.967 3.747 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU MD1 1 101 LYS H . . 6.020 3.121 2.664 3.708 . 0 0 "[ . 1 . 2]" 1
47 1 4 LEU MD1 1 103 GLY HA2 . . 5.120 2.373 1.857 2.876 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU MD1 1 103 GLY QA . . 4.930 2.334 1.838 2.815 . 0 0 "[ . 1 . 2]" 1
49 1 4 LEU MD1 1 103 GLY HA3 . . 5.120 3.494 2.933 4.064 . 0 0 "[ . 1 . 2]" 1
50 1 4 LEU MD2 1 5 PRO HD2 . . 4.870 2.939 1.994 3.449 . 0 0 "[ . 1 . 2]" 1
51 1 4 LEU MD2 1 5 PRO QD . . 4.540 2.724 1.824 3.210 . 0 0 "[ . 1 . 2]" 1
52 1 4 LEU MD2 1 5 PRO HD3 . . 4.870 3.241 2.112 3.823 . 0 0 "[ . 1 . 2]" 1
53 1 4 LEU MD2 1 101 LYS H . . 7.030 5.708 5.351 5.893 . 0 0 "[ . 1 . 2]" 1
54 1 4 LEU MD2 1 103 GLY H . . 7.030 3.848 2.402 4.599 . 0 0 "[ . 1 . 2]" 1
55 1 4 LEU MD2 1 103 GLY HA2 . . 5.410 2.746 2.085 3.496 . 0 0 "[ . 1 . 2]" 1
56 1 4 LEU MD2 1 103 GLY QA . . 5.020 2.374 1.862 2.996 . 0 0 "[ . 1 . 2]" 1
57 1 4 LEU MD2 1 103 GLY HA3 . . 5.410 2.662 1.996 3.551 . 0 0 "[ . 1 . 2]" 1
58 1 4 LEU HG 1 102 GLN HA . . 4.270 3.782 2.542 4.268 . 0 0 "[ . 1 . 2]" 1
59 1 4 LEU HG 1 103 GLY H . . 5.600 3.056 2.437 3.858 . 0 0 "[ . 1 . 2]" 1
60 1 5 PRO HA 1 6 ASP H . . 2.800 2.450 2.199 2.771 . 0 0 "[ . 1 . 2]" 1
61 1 5 PRO HB2 1 6 ASP H . . 3.700 2.719 1.968 3.425 . 0 0 "[ . 1 . 2]" 1
62 1 5 PRO HB3 1 6 ASP H . . 3.980 3.430 3.106 3.813 . 0 0 "[ . 1 . 2]" 1
63 1 5 PRO QG 1 6 ASP H . . 5.350 4.366 3.804 4.807 . 0 0 "[ . 1 . 2]" 1
64 1 5 PRO HG2 1 6 ASP H . . 5.820 4.696 4.022 5.222 . 0 0 "[ . 1 . 2]" 1
65 1 5 PRO HG3 1 6 ASP H . . 5.820 5.200 4.690 5.619 . 0 0 "[ . 1 . 2]" 1
66 1 6 ASP H 1 6 ASP HB2 . . 3.880 3.139 2.499 3.545 . 0 0 "[ . 1 . 2]" 1
67 1 6 ASP H 1 6 ASP QB . . 3.550 2.626 2.260 2.855 . 0 0 "[ . 1 . 2]" 1
68 1 6 ASP H 1 6 ASP HB3 . . 3.880 3.083 2.321 3.604 . 0 0 "[ . 1 . 2]" 1
69 1 6 ASP H 1 7 ILE H . . 4.740 4.596 4.462 4.657 . 0 0 "[ . 1 . 2]" 1
70 1 6 ASP HA 1 7 ILE H . . 2.830 2.339 2.254 2.568 . 0 0 "[ . 1 . 2]" 1
71 1 6 ASP HA 1 97 HIS H . . 6.000 4.988 4.437 5.632 . 0 0 "[ . 1 . 2]" 1
72 1 6 ASP HA 1 98 SER HA . . 3.660 3.304 2.386 3.622 . 0 0 "[ . 1 . 2]" 1
73 1 6 ASP QB 1 7 ILE H . . 4.210 3.007 2.315 3.709 . 0 0 "[ . 1 . 2]" 1
74 1 6 ASP QB 1 96 VAL MG1 . . 4.720 2.964 2.313 3.452 . 0 0 "[ . 1 . 2]" 1
75 1 6 ASP QB 1 97 HIS H . . 6.880 3.717 3.041 4.456 . 0 0 "[ . 1 . 2]" 1
76 1 6 ASP QB 1 98 SER HA . . 6.630 3.667 2.699 4.285 . 0 0 "[ . 1 . 2]" 1
77 1 6 ASP QB 1 98 SER HB2 . . 6.880 4.638 3.755 5.355 . 0 0 "[ . 1 . 2]" 1
78 1 6 ASP HB2 1 7 ILE H . . 4.630 3.463 2.342 4.155 . 0 0 "[ . 1 . 2]" 1
79 1 6 ASP HB2 1 96 VAL MG1 . . 5.050 3.351 2.346 4.092 . 0 0 "[ . 1 . 2]" 1
80 1 6 ASP HB3 1 7 ILE H . . 4.630 3.600 2.786 4.484 . 0 0 "[ . 1 . 2]" 1
81 1 6 ASP HB3 1 96 VAL MG1 . . 5.050 3.602 2.611 4.196 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE H 1 7 ILE HB . . 3.190 2.324 2.204 2.503 . 0 0 "[ . 1 . 2]" 1
83 1 7 ILE H 1 7 ILE MD . . 5.260 3.619 3.314 3.843 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE H 1 7 ILE HG12 . . 4.520 3.660 3.022 4.238 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE H 1 7 ILE HG13 . . 3.340 2.450 1.979 3.095 . 0 0 "[ . 1 . 2]" 1
86 1 7 ILE H 1 7 ILE MG . . 4.540 3.682 3.630 3.740 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE H 1 8 LYS H . . 4.850 3.772 3.518 4.206 . 0 0 "[ . 1 . 2]" 1
88 1 7 ILE H 1 96 VAL HA . . 6.000 5.114 4.682 5.538 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE H 1 96 VAL MG1 . . 6.450 4.715 4.237 5.228 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE H 1 97 HIS H . . 4.020 3.390 3.016 3.886 . 0 0 "[ . 1 . 2]" 1
91 1 7 ILE H 1 97 HIS HB2 . . 5.960 4.886 4.043 5.628 . 0 0 "[ . 1 . 2]" 1
92 1 7 ILE H 1 97 HIS HB3 . . 5.100 3.434 2.734 4.107 . 0 0 "[ . 1 . 2]" 1
93 1 7 ILE H 1 98 SER HA . . 5.240 3.656 3.058 4.282 . 0 0 "[ . 1 . 2]" 1
94 1 7 ILE H 1 100 TRP HD1 . . 4.920 4.173 3.173 4.889 . 0 0 "[ . 1 . 2]" 1
95 1 7 ILE HA 1 7 ILE HG12 . . 3.800 2.505 2.342 2.628 . 0 0 "[ . 1 . 2]" 1
96 1 7 ILE HA 1 7 ILE HG13 . . 3.910 2.877 2.641 3.256 . 0 0 "[ . 1 . 2]" 1
97 1 7 ILE HA 1 8 LYS H . . 2.650 2.485 2.274 2.591 . 0 0 "[ . 1 . 2]" 1
98 1 7 ILE HB 1 8 LYS H . . 5.860 4.572 4.515 4.646 . 0 0 "[ . 1 . 2]" 1
99 1 7 ILE HB 1 95 ILE MD . . 6.990 4.032 3.631 5.483 . 0 0 "[ . 1 . 2]" 1
100 1 7 ILE HB 1 97 HIS H . . 4.380 3.378 2.979 3.930 . 0 0 "[ . 1 . 2]" 1
101 1 7 ILE HB 1 97 HIS HB2 . . 4.200 3.497 2.626 4.008 . 0 0 "[ . 1 . 2]" 1
102 1 7 ILE HB 1 97 HIS HB3 . . 3.440 2.049 2.000 2.277 . 0 0 "[ . 1 . 2]" 1
103 1 7 ILE HB 1 100 TRP HE1 . . 6.000 3.427 2.762 4.529 . 0 0 "[ . 1 . 2]" 1
104 1 7 ILE MD 1 8 LYS H . . 7.030 5.666 5.488 5.700 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE MD 1 97 HIS HB2 . . 5.800 4.362 4.026 4.611 . 0 0 "[ . 1 . 2]" 1
106 1 7 ILE MD 1 97 HIS HB3 . . 5.410 3.139 2.921 3.376 . 0 0 "[ . 1 . 2]" 1
107 1 7 ILE MD 1 100 TRP HE1 . . 4.900 2.548 1.930 3.534 . 0 0 "[ . 1 . 2]" 1
108 1 7 ILE MD 1 100 TRP HH2 . . 7.030 3.748 3.110 4.222 . 0 0 "[ . 1 . 2]" 1
109 1 7 ILE MD 1 100 TRP HZ2 . . 4.150 2.357 1.919 3.140 . 0 0 "[ . 1 . 2]" 1
110 1 7 ILE HG12 1 8 LYS H . . 6.000 4.958 4.559 5.187 . 0 0 "[ . 1 . 2]" 1
111 1 7 ILE HG13 1 8 LYS H . . 6.000 5.004 4.848 5.163 . 0 0 "[ . 1 . 2]" 1
112 1 7 ILE HG13 1 100 TRP HE1 . . 6.000 3.333 2.570 4.421 . 0 0 "[ . 1 . 2]" 1
113 1 7 ILE MG 1 8 LYS H . . 5.160 3.810 3.514 3.950 . 0 0 "[ . 1 . 2]" 1
114 1 7 ILE MG 1 8 LYS HA . . 7.030 4.043 3.762 4.211 . 0 0 "[ . 1 . 2]" 1
115 1 7 ILE MG 1 9 LYS H . . 6.240 4.439 4.255 4.814 . 0 0 "[ . 1 . 2]" 1
116 1 7 ILE MG 1 9 LYS QD . . 6.290 3.572 2.107 4.470 . 0 0 "[ . 1 . 2]" 1
117 1 7 ILE MG 1 9 LYS HE2 . . 5.160 3.245 1.891 3.794 . 0 0 "[ . 1 . 2]" 1
118 1 7 ILE MG 1 9 LYS QE . . 4.660 2.868 1.873 3.398 . 0 0 "[ . 1 . 2]" 1
119 1 7 ILE MG 1 9 LYS HE3 . . 5.160 3.490 2.048 4.064 . 0 0 "[ . 1 . 2]" 1
120 1 7 ILE MG 1 95 ILE MD . . 6.980 2.919 2.330 4.209 . 0 0 "[ . 1 . 2]" 1
121 1 7 ILE MG 1 97 HIS H . . 5.730 3.840 3.038 4.721 . 0 0 "[ . 1 . 2]" 1
122 1 7 ILE MG 1 97 HIS HB2 . . 6.700 3.504 3.042 4.270 . 0 0 "[ . 1 . 2]" 1
123 1 7 ILE MG 1 97 HIS HB3 . . 4.540 2.882 2.040 3.653 . 0 0 "[ . 1 . 2]" 1
124 1 8 LYS H 1 8 LYS HB2 . . 3.590 2.987 2.781 3.331 . 0 0 "[ . 1 . 2]" 1
125 1 8 LYS H 1 8 LYS HB3 . . 3.300 2.296 2.221 2.387 . 0 0 "[ . 1 . 2]" 1
126 1 8 LYS H 1 8 LYS QE . . 6.880 5.467 4.583 5.915 . 0 0 "[ . 1 . 2]" 1
127 1 8 LYS H 1 9 LYS H . . 5.420 4.479 4.376 4.596 . 0 0 "[ . 1 . 2]" 1
128 1 8 LYS H 1 97 HIS H . . 5.780 4.424 4.191 4.627 . 0 0 "[ . 1 . 2]" 1
129 1 8 LYS HA 1 8 LYS HG2 . . 4.020 3.265 3.131 3.399 . 0 0 "[ . 1 . 2]" 1
130 1 8 LYS HA 1 8 LYS QG . . 3.830 2.571 2.430 2.693 . 0 0 "[ . 1 . 2]" 1
131 1 8 LYS HA 1 8 LYS HG3 . . 4.020 2.694 2.501 2.825 . 0 0 "[ . 1 . 2]" 1
132 1 8 LYS HA 1 9 LYS H . . 2.540 2.189 2.178 2.242 . 0 0 "[ . 1 . 2]" 1
133 1 8 LYS HA 1 95 ILE H . . 5.320 4.542 4.394 4.707 . 0 0 "[ . 1 . 2]" 1
134 1 8 LYS HA 1 95 ILE MG . . 6.880 3.752 3.315 4.140 . 0 0 "[ . 1 . 2]" 1
135 1 8 LYS HA 1 96 VAL HA . . 3.190 2.326 2.122 2.447 . 0 0 "[ . 1 . 2]" 1
136 1 8 LYS HA 1 96 VAL MG1 . . 7.030 3.725 3.240 4.106 . 0 0 "[ . 1 . 2]" 1
137 1 8 LYS HA 1 96 VAL MG2 . . 4.800 3.109 2.612 3.468 . 0 0 "[ . 1 . 2]" 1
138 1 8 LYS HA 1 97 HIS H . . 4.200 3.350 3.011 3.667 . 0 0 "[ . 1 . 2]" 1
139 1 8 LYS HB2 1 9 LYS H . . 4.380 4.178 4.026 4.312 . 0 0 "[ . 1 . 2]" 1
140 1 8 LYS HB2 1 96 VAL HA . . 5.350 3.077 2.599 3.578 . 0 0 "[ . 1 . 2]" 1
141 1 8 LYS HB2 1 96 VAL MG1 . . 5.480 2.760 2.239 2.970 . 0 0 "[ . 1 . 2]" 1
142 1 8 LYS HB2 1 96 VAL MG2 . . 5.550 2.800 2.341 3.182 . 0 0 "[ . 1 . 2]" 1
143 1 8 LYS HB3 1 9 LYS H . . 4.670 4.443 4.281 4.507 . 0 0 "[ . 1 . 2]" 1
144 1 8 LYS HB3 1 96 VAL HA . . 6.000 4.561 4.225 4.887 . 0 0 "[ . 1 . 2]" 1
145 1 8 LYS HB3 1 96 VAL MG1 . . 5.590 4.245 3.743 4.420 . 0 0 "[ . 1 . 2]" 1
146 1 8 LYS HB3 1 96 VAL MG2 . . 6.630 4.140 3.745 4.505 . 0 0 "[ . 1 . 2]" 1
147 1 8 LYS QD 1 9 LYS H . . 6.880 4.887 4.471 5.051 . 0 0 "[ . 1 . 2]" 1
148 1 8 LYS QD 1 94 THR MG . . 6.000 3.550 2.937 4.393 . 0 0 "[ . 1 . 2]" 1
149 1 8 LYS QD 1 96 VAL MG2 . . 5.640 2.904 2.116 3.847 . 0 0 "[ . 1 . 2]" 1
150 1 8 LYS QE 1 94 THR MG . . 6.180 2.986 2.150 4.096 . 0 0 "[ . 1 . 2]" 1
151 1 8 LYS QE 1 96 VAL MG2 . . 5.890 3.543 2.373 4.292 . 0 0 "[ . 1 . 2]" 1
152 1 8 LYS QG 1 9 LYS H . . 3.230 2.834 2.447 2.981 . 0 0 "[ . 1 . 2]" 1
153 1 8 LYS QG 1 96 VAL MG2 . . 5.390 2.290 2.033 2.650 . 0 0 "[ . 1 . 2]" 1
154 1 8 LYS HG2 1 9 LYS H . . 3.620 3.376 3.124 3.609 . 0 0 "[ . 1 . 2]" 1
155 1 8 LYS HG3 1 9 LYS H . . 3.620 3.059 2.556 3.341 . 0 0 "[ . 1 . 2]" 1
156 1 9 LYS H 1 9 LYS HB2 . . 3.950 2.685 2.555 2.800 . 0 0 "[ . 1 . 2]" 1
157 1 9 LYS H 1 9 LYS QB . . 3.730 2.626 2.489 2.737 . 0 0 "[ . 1 . 2]" 1
158 1 9 LYS H 1 9 LYS HB3 . . 3.950 3.721 3.437 3.850 . 0 0 "[ . 1 . 2]" 1
159 1 9 LYS H 1 9 LYS HD2 . . 6.000 4.821 3.527 5.413 . 0 0 "[ . 1 . 2]" 1
160 1 9 LYS H 1 9 LYS QD . . 5.450 4.064 2.994 4.656 . 0 0 "[ . 1 . 2]" 1
161 1 9 LYS H 1 9 LYS HD3 . . 6.000 4.520 3.083 5.119 . 0 0 "[ . 1 . 2]" 1
162 1 9 LYS H 1 9 LYS QE . . 6.880 5.262 4.904 5.534 . 0 0 "[ . 1 . 2]" 1
163 1 9 LYS H 1 10 GLU H . . 4.490 4.442 4.414 4.470 . 0 0 "[ . 1 . 2]" 1
164 1 9 LYS H 1 94 THR HA . . 4.740 4.676 4.495 4.739 . 0 0 "[ . 1 . 2]" 1
165 1 9 LYS H 1 94 THR MG . . 5.440 3.683 3.398 3.905 . 0 0 "[ . 1 . 2]" 1
166 1 9 LYS H 1 95 ILE H . . 3.590 2.895 2.769 3.033 . 0 0 "[ . 1 . 2]" 1
167 1 9 LYS H 1 95 ILE MD . . 5.550 2.846 2.109 4.640 . 0 0 "[ . 1 . 2]" 1
168 1 9 LYS H 1 95 ILE MG . . 3.820 2.156 1.933 2.475 . 0 0 "[ . 1 . 2]" 1
169 1 9 LYS H 1 96 VAL HA . . 4.160 3.770 3.579 3.983 . 0 0 "[ . 1 . 2]" 1
170 1 9 LYS H 1 96 VAL MG1 . . 7.030 5.275 4.909 5.655 . 0 0 "[ . 1 . 2]" 1
171 1 9 LYS H 1 96 VAL MG2 . . 5.440 3.834 3.408 4.228 . 0 0 "[ . 1 . 2]" 1
172 1 9 LYS HA 1 9 LYS HD2 . . 4.380 3.385 2.619 3.966 . 0 0 "[ . 1 . 2]" 1
173 1 9 LYS HA 1 9 LYS QD . . 3.920 2.678 2.223 3.278 . 0 0 "[ . 1 . 2]" 1
174 1 9 LYS HA 1 9 LYS HD3 . . 4.380 3.009 2.303 4.346 . 0 0 "[ . 1 . 2]" 1
175 1 9 LYS HA 1 10 GLU H . . 2.620 2.466 2.364 2.542 . 0 0 "[ . 1 . 2]" 1
176 1 9 LYS HA 1 10 GLU HA . . 6.000 4.456 4.411 4.493 . 0 0 "[ . 1 . 2]" 1
177 1 9 LYS HA 1 95 ILE MG . . 7.030 3.895 3.552 4.092 . 0 0 "[ . 1 . 2]" 1
178 1 9 LYS QB 1 11 VAL MG1 . . 7.910 3.721 3.506 3.961 . 0 0 "[ . 1 . 2]" 1
179 1 9 LYS QB 1 11 VAL MG2 . . 7.910 4.289 3.982 4.855 . 0 0 "[ . 1 . 2]" 1
180 1 9 LYS QB 1 95 ILE MG . . 5.570 2.054 1.832 2.298 . 0 0 "[ . 1 . 2]" 1
181 1 9 LYS HB2 1 10 GLU H . . 4.060 3.789 3.507 4.073 0.013 13 0 "[ . 1 . 2]" 1
182 1 9 LYS HB2 1 95 ILE MG . . 6.020 2.097 1.847 2.324 . 0 0 "[ . 1 . 2]" 1
183 1 9 LYS HB3 1 10 GLU H . . 4.060 2.568 2.371 2.761 . 0 0 "[ . 1 . 2]" 1
184 1 9 LYS HB3 1 95 ILE MG . . 6.020 3.108 2.315 3.604 . 0 0 "[ . 1 . 2]" 1
185 1 9 LYS QD 1 10 GLU H . . 5.370 3.975 3.299 4.841 . 0 0 "[ . 1 . 2]" 1
186 1 9 LYS HD2 1 10 GLU H . . 5.820 4.503 3.516 5.512 . 0 0 "[ . 1 . 2]" 1
187 1 9 LYS HD3 1 10 GLU H . . 5.820 4.480 3.680 5.666 . 0 0 "[ . 1 . 2]" 1
188 1 9 LYS QE 1 10 GLU H . . 6.880 5.644 5.376 5.980 . 0 0 "[ . 1 . 2]" 1
189 1 9 LYS HG2 1 10 GLU H . . 6.000 4.432 3.722 4.816 . 0 0 "[ . 1 . 2]" 1
190 1 9 LYS HG3 1 10 GLU H . . 6.000 4.447 2.931 5.160 . 0 0 "[ . 1 . 2]" 1
191 1 10 GLU H 1 10 GLU HB2 . . 3.840 3.293 3.124 3.401 . 0 0 "[ . 1 . 2]" 1
192 1 10 GLU H 1 10 GLU HB3 . . 3.080 2.909 2.772 3.037 . 0 0 "[ . 1 . 2]" 1
193 1 10 GLU H 1 10 GLU HG2 . . 5.280 4.580 4.512 4.650 . 0 0 "[ . 1 . 2]" 1
194 1 10 GLU H 1 10 GLU QG . . 4.940 4.271 4.215 4.326 . 0 0 "[ . 1 . 2]" 1
195 1 10 GLU H 1 10 GLU HG3 . . 5.280 5.107 5.054 5.153 . 0 0 "[ . 1 . 2]" 1
196 1 10 GLU H 1 11 VAL H . . 4.450 4.289 4.210 4.361 . 0 0 "[ . 1 . 2]" 1
197 1 10 GLU H 1 11 VAL MG1 . . 7.030 3.688 3.403 3.872 . 0 0 "[ . 1 . 2]" 1
198 1 10 GLU H 1 95 ILE H . . 4.990 4.810 4.558 4.955 . 0 0 "[ . 1 . 2]" 1
199 1 10 GLU HA 1 10 GLU HG2 . . 3.620 2.345 2.165 2.443 . 0 0 "[ . 1 . 2]" 1
200 1 10 GLU HA 1 10 GLU QG . . 3.370 2.309 2.139 2.403 . 0 0 "[ . 1 . 2]" 1
201 1 10 GLU HA 1 10 GLU HG3 . . 3.620 3.465 3.295 3.613 . 0 0 "[ . 1 . 2]" 1
202 1 10 GLU HA 1 11 VAL H . . 2.690 2.282 2.239 2.360 . 0 0 "[ . 1 . 2]" 1
203 1 10 GLU HA 1 92 ILE MG . . 7.030 4.719 4.515 4.913 . 0 0 "[ . 1 . 2]" 1
204 1 10 GLU HA 1 93 PHE H . . 5.500 4.827 4.558 5.044 . 0 0 "[ . 1 . 2]" 1
205 1 10 GLU HA 1 94 THR HA . . 3.160 2.221 2.010 2.357 . 0 0 "[ . 1 . 2]" 1
206 1 10 GLU HA 1 94 THR HB . . 6.000 5.021 4.770 5.242 . 0 0 "[ . 1 . 2]" 1
207 1 10 GLU HA 1 94 THR MG . . 5.260 3.435 3.153 3.825 . 0 0 "[ . 1 . 2]" 1
208 1 10 GLU HA 1 95 ILE H . . 3.880 3.295 3.141 3.418 . 0 0 "[ . 1 . 2]" 1
209 1 10 GLU HB2 1 11 VAL H . . 4.420 4.200 4.032 4.392 . 0 0 "[ . 1 . 2]" 1
210 1 10 GLU HB2 1 92 ILE MG . . 6.670 4.725 4.492 5.022 . 0 0 "[ . 1 . 2]" 1
211 1 10 GLU HB2 1 94 THR MG . . 5.340 2.673 2.215 3.439 . 0 0 "[ . 1 . 2]" 1
212 1 10 GLU HB3 1 11 VAL H . . 4.240 4.054 3.851 4.227 . 0 0 "[ . 1 . 2]" 1
213 1 10 GLU HB3 1 92 ILE MG . . 6.920 4.890 4.597 5.142 . 0 0 "[ . 1 . 2]" 1
214 1 10 GLU HB3 1 94 THR MG . . 6.340 4.200 3.769 4.876 . 0 0 "[ . 1 . 2]" 1
215 1 10 GLU HB3 1 95 ILE H . . 5.820 5.732 5.499 5.820 . 0 0 "[ . 1 . 2]" 1
216 1 10 GLU HB3 1 95 ILE MG . . 7.030 5.727 5.527 5.772 . 0 0 "[ . 1 . 2]" 1
217 1 10 GLU QG 1 11 VAL H . . 4.390 2.324 1.954 2.642 . 0 0 "[ . 1 . 2]" 1
218 1 10 GLU QG 1 11 VAL HA . . 6.020 4.272 3.986 4.610 . 0 0 "[ . 1 . 2]" 1
219 1 10 GLU QG 1 92 ILE MG . . 3.930 2.580 2.391 2.773 . 0 0 "[ . 1 . 2]" 1
220 1 10 GLU QG 1 93 PHE H . . 5.270 3.392 3.126 3.752 . 0 0 "[ . 1 . 2]" 1
221 1 10 GLU QG 1 94 THR HA . . 5.600 2.976 2.663 3.221 . 0 0 "[ . 1 . 2]" 1
222 1 10 GLU QG 1 94 THR MG . . 4.560 3.146 2.671 3.326 . 0 0 "[ . 1 . 2]" 1
223 1 10 GLU HG2 1 11 VAL H . . 4.670 2.339 1.961 2.666 . 0 0 "[ . 1 . 2]" 1
224 1 10 GLU HG2 1 92 ILE MG . . 4.180 2.838 2.647 3.051 . 0 0 "[ . 1 . 2]" 1
225 1 10 GLU HG2 1 93 PHE H . . 6.000 3.468 3.188 3.840 . 0 0 "[ . 1 . 2]" 1
226 1 10 GLU HG2 1 94 THR HA . . 6.000 3.084 2.727 3.345 . 0 0 "[ . 1 . 2]" 1
227 1 10 GLU HG2 1 94 THR MG . . 5.120 3.776 3.274 3.994 . 0 0 "[ . 1 . 2]" 1
228 1 10 GLU HG3 1 11 VAL H . . 4.670 4.031 3.697 4.327 . 0 0 "[ . 1 . 2]" 1
229 1 10 GLU HG3 1 92 ILE MG . . 4.180 2.970 2.723 3.335 . 0 0 "[ . 1 . 2]" 1
230 1 10 GLU HG3 1 93 PHE H . . 6.000 4.801 4.430 5.276 . 0 0 "[ . 1 . 2]" 1
231 1 10 GLU HG3 1 94 THR HA . . 6.000 3.938 3.716 4.260 . 0 0 "[ . 1 . 2]" 1
232 1 10 GLU HG3 1 94 THR MG . . 5.120 3.372 2.832 3.632 . 0 0 "[ . 1 . 2]" 1
233 1 11 VAL H 1 11 VAL MG1 . . 4.510 3.370 3.083 3.544 . 0 0 "[ . 1 . 2]" 1
234 1 11 VAL H 1 11 VAL MG2 . . 3.970 2.057 1.919 2.307 . 0 0 "[ . 1 . 2]" 1
235 1 11 VAL H 1 12 ARG H . . 5.280 4.411 4.339 4.449 . 0 0 "[ . 1 . 2]" 1
236 1 11 VAL H 1 92 ILE MD . . 7.030 5.025 4.737 5.203 . 0 0 "[ . 1 . 2]" 1
237 1 11 VAL H 1 92 ILE MG . . 5.700 3.994 3.596 4.248 . 0 0 "[ . 1 . 2]" 1
238 1 11 VAL H 1 93 PHE H . . 3.440 3.177 2.849 3.393 . 0 0 "[ . 1 . 2]" 1
239 1 11 VAL H 1 93 PHE HB2 . . 6.000 4.704 4.320 5.048 . 0 0 "[ . 1 . 2]" 1
240 1 11 VAL H 1 93 PHE QB . . 5.780 3.112 2.835 3.442 . 0 0 "[ . 1 . 2]" 1
241 1 11 VAL H 1 93 PHE HB3 . . 6.000 3.158 2.875 3.503 . 0 0 "[ . 1 . 2]" 1
242 1 11 VAL H 1 94 THR HA . . 3.910 3.596 3.295 3.713 . 0 0 "[ . 1 . 2]" 1
243 1 11 VAL H 1 94 THR MG . . 7.030 5.050 4.842 5.325 . 0 0 "[ . 1 . 2]" 1
244 1 11 VAL H 1 95 ILE H . . 5.170 5.099 4.900 5.172 0.002 17 0 "[ . 1 . 2]" 1
245 1 11 VAL HA 1 11 VAL HB . . 2.760 2.573 2.438 2.647 . 0 0 "[ . 1 . 2]" 1
246 1 11 VAL HA 1 11 VAL MG1 . . 3.570 2.103 2.005 2.263 . 0 0 "[ . 1 . 2]" 1
247 1 11 VAL HA 1 12 ARG H . . 2.580 2.403 2.289 2.464 . 0 0 "[ . 1 . 2]" 1
248 1 11 VAL HB 1 12 ARG H . . 3.080 2.667 2.519 2.970 . 0 0 "[ . 1 . 2]" 1
249 1 11 VAL HB 1 93 PHE QD . . 8.120 5.523 5.159 5.761 . 0 0 "[ . 1 . 2]" 1
250 1 11 VAL HB 1 93 PHE QE . . 8.120 7.201 6.908 7.378 . 0 0 "[ . 1 . 2]" 1
251 1 11 VAL MG1 1 12 ARG H . . 4.830 3.531 3.245 3.834 . 0 0 "[ . 1 . 2]" 1
252 1 11 VAL MG1 1 13 PHE QE . . 8.750 3.370 2.957 3.764 . 0 0 "[ . 1 . 2]" 1
253 1 11 VAL MG1 1 13 PHE HZ . . 5.260 3.316 2.817 4.182 . 0 0 "[ . 1 . 2]" 1
254 1 11 VAL MG1 1 93 PHE H . . 7.030 5.606 5.206 5.797 . 0 0 "[ . 1 . 2]" 1
255 1 11 VAL MG1 1 93 PHE QB . . 6.900 4.574 3.965 4.855 . 0 0 "[ . 1 . 2]" 1
256 1 11 VAL MG1 1 93 PHE QD . . 7.750 4.849 4.195 5.500 . 0 0 "[ . 1 . 2]" 1
257 1 11 VAL MG2 1 12 ARG H . . 5.300 3.880 3.490 4.047 . 0 0 "[ . 1 . 2]" 1
258 1 11 VAL MG2 1 12 ARG HA . . 7.030 4.228 3.712 4.441 . 0 0 "[ . 1 . 2]" 1
259 1 11 VAL MG2 1 13 PHE QE . . 7.460 2.626 2.209 2.835 . 0 0 "[ . 1 . 2]" 1
260 1 11 VAL MG2 1 13 PHE HZ . . 4.690 2.143 1.979 2.456 . 0 0 "[ . 1 . 2]" 1
261 1 11 VAL MG2 1 93 PHE H . . 4.980 3.468 3.206 3.649 . 0 0 "[ . 1 . 2]" 1
262 1 11 VAL MG2 1 93 PHE HB2 . . 5.700 3.454 2.907 3.816 . 0 0 "[ . 1 . 2]" 1
263 1 11 VAL MG2 1 93 PHE QB . . 5.100 2.024 1.784 2.316 . 0 0 "[ . 1 . 2]" 1
264 1 11 VAL MG2 1 93 PHE HB3 . . 5.700 2.039 1.800 2.336 . 0 0 "[ . 1 . 2]" 1
265 1 11 VAL MG2 1 93 PHE QD . . 7.030 2.777 2.342 3.188 . 0 0 "[ . 1 . 2]" 1
266 1 11 VAL MG2 1 93 PHE QE . . 8.930 4.259 3.986 4.587 . 0 0 "[ . 1 . 2]" 1
267 1 12 ARG H 1 12 ARG HB2 . . 3.660 3.163 3.018 3.722 0.062 2 0 "[ . 1 . 2]" 1
268 1 12 ARG H 1 12 ARG HB3 . . 3.160 2.620 2.541 2.802 . 0 0 "[ . 1 . 2]" 1
269 1 12 ARG H 1 12 ARG HD2 . . 6.000 5.625 4.613 5.903 . 0 0 "[ . 1 . 2]" 1
270 1 12 ARG H 1 12 ARG HD3 . . 6.000 4.651 3.508 5.236 . 0 0 "[ . 1 . 2]" 1
271 1 12 ARG H 1 13 PHE H . . 5.140 4.312 4.148 4.523 . 0 0 "[ . 1 . 2]" 1
272 1 12 ARG HA 1 12 ARG HG2 . . 4.060 2.856 2.604 3.591 . 0 0 "[ . 1 . 2]" 1
273 1 12 ARG HA 1 12 ARG QG . . 3.850 2.557 2.471 3.325 . 0 0 "[ . 1 . 2]" 1
274 1 12 ARG HA 1 12 ARG HG3 . . 4.060 2.946 2.657 3.926 . 0 0 "[ . 1 . 2]" 1
275 1 12 ARG HA 1 13 PHE H . . 2.650 2.246 2.225 2.343 . 0 0 "[ . 1 . 2]" 1
276 1 12 ARG HA 1 92 ILE HA . . 3.160 2.859 2.179 3.060 . 0 0 "[ . 1 . 2]" 1
277 1 12 ARG HA 1 92 ILE MD . . 4.830 2.818 2.521 3.065 . 0 0 "[ . 1 . 2]" 1
278 1 12 ARG HA 1 92 ILE MG . . 6.700 4.091 3.381 4.432 . 0 0 "[ . 1 . 2]" 1
279 1 12 ARG HA 1 93 PHE H . . 3.910 3.318 2.679 3.547 . 0 0 "[ . 1 . 2]" 1
280 1 12 ARG HB2 1 12 ARG HD2 . . 3.410 3.158 2.412 3.425 0.015 9 0 "[ . 1 . 2]" 1
281 1 12 ARG HB2 1 12 ARG QD . . 3.170 2.736 2.354 2.935 . 0 0 "[ . 1 . 2]" 1
282 1 12 ARG HB2 1 12 ARG HD3 . . 3.410 3.061 2.782 3.363 . 0 0 "[ . 1 . 2]" 1
283 1 12 ARG HB2 1 13 PHE H . . 4.420 4.251 2.969 4.439 0.019 16 0 "[ . 1 . 2]" 1
284 1 12 ARG HB2 1 92 ILE MD . . 4.220 2.515 1.896 2.731 . 0 0 "[ . 1 . 2]" 1
285 1 12 ARG HB3 1 12 ARG HD2 . . 3.840 3.161 2.843 3.415 . 0 0 "[ . 1 . 2]" 1
286 1 12 ARG HB3 1 12 ARG QD . . 3.680 2.114 1.984 2.470 . 0 0 "[ . 1 . 2]" 1
287 1 12 ARG HB3 1 12 ARG HD3 . . 3.840 2.158 2.005 2.696 . 0 0 "[ . 1 . 2]" 1
288 1 12 ARG HB3 1 13 PHE H . . 4.520 4.306 4.182 4.429 . 0 0 "[ . 1 . 2]" 1
289 1 12 ARG HB3 1 92 ILE MD . . 4.690 3.763 2.081 3.978 . 0 0 "[ . 1 . 2]" 1
290 1 12 ARG QD 1 13 PHE H . . 6.880 4.803 4.480 5.200 . 0 0 "[ . 1 . 2]" 1
291 1 12 ARG QD 1 92 ILE MD . . 5.220 3.131 2.554 3.577 . 0 0 "[ . 1 . 2]" 1
292 1 12 ARG HD2 1 92 ILE MD . . 5.520 3.270 2.593 3.800 . 0 0 "[ . 1 . 2]" 1
293 1 12 ARG HD3 1 92 ILE MD . . 5.520 4.111 3.453 4.495 . 0 0 "[ . 1 . 2]" 1
294 1 12 ARG QG 1 13 PHE H . . 4.050 2.690 2.278 3.645 . 0 0 "[ . 1 . 2]" 1
295 1 12 ARG QG 1 91 THR H . . 6.880 3.897 3.698 5.456 . 0 0 "[ . 1 . 2]" 1
296 1 12 ARG QG 1 92 ILE MD . . 4.700 2.094 1.843 3.469 . 0 0 "[ . 1 . 2]" 1
297 1 12 ARG HG2 1 13 PHE H . . 4.310 2.823 2.307 4.291 . 0 0 "[ . 1 . 2]" 1
298 1 12 ARG HG2 1 92 ILE MD . . 4.940 3.368 2.888 4.156 . 0 0 "[ . 1 . 2]" 1
299 1 12 ARG HG3 1 13 PHE H . . 4.310 3.645 2.982 4.226 . 0 0 "[ . 1 . 2]" 1
300 1 12 ARG HG3 1 92 ILE MD . . 4.940 2.125 1.865 3.716 . 0 0 "[ . 1 . 2]" 1
301 1 13 PHE H 1 13 PHE HB2 . . 3.370 2.520 2.411 2.632 . 0 0 "[ . 1 . 2]" 1
302 1 13 PHE H 1 13 PHE HB3 . . 3.800 3.672 3.604 3.749 . 0 0 "[ . 1 . 2]" 1
303 1 13 PHE H 1 14 ASN H . . 5.210 4.483 4.433 4.531 . 0 0 "[ . 1 . 2]" 1
304 1 13 PHE H 1 91 THR H . . 3.590 3.535 3.231 3.593 0.003 18 0 "[ . 1 . 2]" 1
305 1 13 PHE H 1 91 THR HB . . 4.960 4.058 3.685 4.261 . 0 0 "[ . 1 . 2]" 1
306 1 13 PHE H 1 92 ILE HA . . 4.060 3.888 3.271 4.065 0.005 18 0 "[ . 1 . 2]" 1
307 1 13 PHE H 1 92 ILE MD . . 5.260 3.940 3.231 4.196 . 0 0 "[ . 1 . 2]" 1
308 1 13 PHE HA 1 14 ASN H . . 2.760 2.321 2.281 2.343 . 0 0 "[ . 1 . 2]" 1
309 1 13 PHE HA 1 14 ASN HB2 . . 6.000 4.161 4.128 4.192 . 0 0 "[ . 1 . 2]" 1
310 1 13 PHE HA 1 14 ASN HB3 . . 6.000 5.420 5.277 5.481 . 0 0 "[ . 1 . 2]" 1
311 1 13 PHE HB2 1 14 ASN H . . 4.340 3.937 3.832 4.032 . 0 0 "[ . 1 . 2]" 1
312 1 13 PHE HB2 1 15 ALA MB . . 5.950 3.826 3.587 4.122 . 0 0 "[ . 1 . 2]" 1
313 1 13 PHE HB2 1 20 VAL QG . . 7.360 3.248 2.853 3.501 . 0 0 "[ . 1 . 2]" 1
314 1 13 PHE HB2 1 91 THR H . . 5.060 4.173 3.688 4.447 . 0 0 "[ . 1 . 2]" 1
315 1 13 PHE HB2 1 91 THR HB . . 4.520 3.646 2.822 4.091 . 0 0 "[ . 1 . 2]" 1
316 1 13 PHE HB3 1 14 ASN H . . 3.840 2.938 2.882 3.072 . 0 0 "[ . 1 . 2]" 1
317 1 13 PHE HB3 1 15 ALA MB . . 5.260 3.566 3.419 3.845 . 0 0 "[ . 1 . 2]" 1
318 1 13 PHE HB3 1 20 VAL QG . . 8.590 3.956 3.387 4.380 . 0 0 "[ . 1 . 2]" 1
319 1 13 PHE HB3 1 91 THR H . . 5.960 5.315 4.809 5.629 . 0 0 "[ . 1 . 2]" 1
320 1 13 PHE HB3 1 91 THR HB . . 6.000 5.124 4.280 5.630 . 0 0 "[ . 1 . 2]" 1
321 1 13 PHE QD 1 14 ASN H . . 7.400 3.988 3.807 4.129 . 0 0 "[ . 1 . 2]" 1
322 1 13 PHE QD 1 20 VAL MG1 . . 9.150 3.224 2.393 3.735 . 0 0 "[ . 1 . 2]" 1
323 1 13 PHE QD 1 20 VAL QG . . 7.930 2.899 2.216 3.248 . 0 0 "[ . 1 . 2]" 1
324 1 13 PHE QD 1 20 VAL MG2 . . 9.150 3.337 2.412 3.919 . 0 0 "[ . 1 . 2]" 1
325 1 13 PHE QD 1 91 THR HB . . 8.120 4.783 4.022 5.193 . 0 0 "[ . 1 . 2]" 1
326 1 13 PHE QD 1 91 THR MG . . 9.110 4.803 3.691 5.311 . 0 0 "[ . 1 . 2]" 1
327 1 13 PHE QD 1 93 PHE QB . . 9.000 3.506 3.031 3.902 . 0 0 "[ . 1 . 2]" 1
328 1 13 PHE QE 1 20 VAL MG1 . . 8.860 4.235 3.142 4.726 . 0 0 "[ . 1 . 2]" 1
329 1 13 PHE QE 1 20 VAL QG . . 8.440 4.025 3.055 4.433 . 0 0 "[ . 1 . 2]" 1
330 1 13 PHE QE 1 20 VAL MG2 . . 8.860 5.076 4.167 5.743 . 0 0 "[ . 1 . 2]" 1
331 1 14 ASN H 1 14 ASN HB2 . . 2.940 2.143 2.097 2.227 . 0 0 "[ . 1 . 2]" 1
332 1 14 ASN H 1 14 ASN HB3 . . 3.230 3.146 3.016 3.206 . 0 0 "[ . 1 . 2]" 1
333 1 14 ASN H 1 14 ASN HD21 . . 5.960 4.457 3.936 4.947 . 0 0 "[ . 1 . 2]" 1
334 1 14 ASN H 1 14 ASN HD22 . . 6.000 5.482 5.161 5.795 . 0 0 "[ . 1 . 2]" 1
335 1 14 ASN H 1 15 ALA H . . 5.530 4.272 4.171 4.455 . 0 0 "[ . 1 . 2]" 1
336 1 14 ASN H 1 15 ALA MB . . 6.880 4.034 3.863 4.152 . 0 0 "[ . 1 . 2]" 1
337 1 14 ASN HA 1 14 ASN HB2 . . 2.940 2.873 2.809 2.904 . 0 0 "[ . 1 . 2]" 1
338 1 14 ASN HA 1 14 ASN HB3 . . 3.010 2.919 2.891 2.971 . 0 0 "[ . 1 . 2]" 1
339 1 14 ASN HA 1 15 ALA H . . 2.690 2.281 2.253 2.302 . 0 0 "[ . 1 . 2]" 1
340 1 14 ASN HA 1 90 GLY H . . 5.750 5.532 5.218 5.740 . 0 0 "[ . 1 . 2]" 1
341 1 14 ASN HA 1 90 GLY HA2 . . 4.160 3.175 2.698 4.036 . 0 0 "[ . 1 . 2]" 1
342 1 14 ASN HA 1 90 GLY HA3 . . 3.480 3.185 2.637 3.470 . 0 0 "[ . 1 . 2]" 1
343 1 14 ASN HA 1 91 THR H . . 3.800 3.570 3.366 3.780 . 0 0 "[ . 1 . 2]" 1
344 1 14 ASN HB2 1 14 ASN HD21 . . 3.190 2.389 2.122 2.979 . 0 0 "[ . 1 . 2]" 1
345 1 14 ASN HB2 1 15 ALA H . . 4.880 4.702 4.618 4.729 . 0 0 "[ . 1 . 2]" 1
346 1 14 ASN HB3 1 14 ASN HD21 . . 3.300 2.724 2.180 3.112 . 0 0 "[ . 1 . 2]" 1
347 1 14 ASN HB3 1 15 ALA H . . 4.560 4.058 3.810 4.182 . 0 0 "[ . 1 . 2]" 1
348 1 15 ALA H 1 20 VAL QG . . 8.340 4.494 4.242 4.888 . 0 0 "[ . 1 . 2]" 1
349 1 15 ALA H 1 90 GLY HA2 . . 3.800 2.829 2.407 3.785 . 0 0 "[ . 1 . 2]" 1
350 1 15 ALA H 1 90 GLY HA3 . . 4.060 3.753 2.990 4.059 . 0 0 "[ . 1 . 2]" 1
351 1 15 ALA H 1 91 THR H . . 3.730 3.123 2.889 3.422 . 0 0 "[ . 1 . 2]" 1
352 1 15 ALA MB 1 16 PRO QD . . 4.380 2.001 1.860 2.168 . 0 0 "[ . 1 . 2]" 1
353 1 15 ALA MB 1 19 LYS HB2 . . 6.160 4.150 3.539 4.538 . 0 0 "[ . 1 . 2]" 1
354 1 15 ALA MB 1 19 LYS HB3 . . 4.620 3.240 3.017 3.530 . 0 0 "[ . 1 . 2]" 1
355 1 15 ALA MB 1 19 LYS QD . . 5.890 3.384 3.158 3.745 . 0 0 "[ . 1 . 2]" 1
356 1 15 ALA MB 1 19 LYS QE . . 7.510 4.830 4.124 5.356 . 0 0 "[ . 1 . 2]" 1
357 1 15 ALA MB 1 20 VAL H . . 5.440 3.848 3.663 4.125 . 0 0 "[ . 1 . 2]" 1
358 1 15 ALA MB 1 20 VAL MG1 . . 8.060 4.630 4.177 5.165 . 0 0 "[ . 1 . 2]" 1
359 1 15 ALA MB 1 20 VAL QG . . 6.700 2.505 2.192 2.939 . 0 0 "[ . 1 . 2]" 1
360 1 15 ALA MB 1 20 VAL MG2 . . 8.060 2.516 2.200 2.957 . 0 0 "[ . 1 . 2]" 1
361 1 15 ALA MB 1 91 THR H . . 6.810 4.658 4.365 4.772 . 0 0 "[ . 1 . 2]" 1
362 1 16 PRO HA 1 17 ILE H . . 2.620 2.162 2.150 2.182 . 0 0 "[ . 1 . 2]" 1
363 1 16 PRO HA 1 17 ILE HA . . 4.380 4.254 4.239 4.270 . 0 0 "[ . 1 . 2]" 1
364 1 16 PRO HA 1 17 ILE HB . . 6.000 4.452 4.354 4.528 . 0 0 "[ . 1 . 2]" 1
365 1 16 PRO HA 1 17 ILE MG . . 5.950 3.745 3.581 4.003 . 0 0 "[ . 1 . 2]" 1
366 1 16 PRO HB2 1 17 ILE H . . 3.880 3.643 3.504 3.748 . 0 0 "[ . 1 . 2]" 1
367 1 16 PRO HB2 1 18 GLU H . . 3.950 2.601 2.503 2.685 . 0 0 "[ . 1 . 2]" 1
368 1 16 PRO HB2 1 19 LYS H . . 4.160 2.825 2.649 2.982 . 0 0 "[ . 1 . 2]" 1
369 1 16 PRO HB3 1 18 GLU H . . 5.530 3.936 3.878 3.986 . 0 0 "[ . 1 . 2]" 1
370 1 16 PRO HB3 1 19 LYS H . . 5.030 4.457 4.314 4.588 . 0 0 "[ . 1 . 2]" 1
371 1 16 PRO QD 1 19 LYS H . . 6.660 3.928 3.780 4.185 . 0 0 "[ . 1 . 2]" 1
372 1 16 PRO QD 1 19 LYS HB2 . . 6.380 3.001 2.478 3.414 . 0 0 "[ . 1 . 2]" 1
373 1 16 PRO QD 1 19 LYS HB3 . . 5.330 2.875 2.587 3.143 . 0 0 "[ . 1 . 2]" 1
374 1 16 PRO QD 1 19 LYS QG . . 7.170 4.260 4.001 4.559 . 0 0 "[ . 1 . 2]" 1
375 1 16 PRO QD 1 20 VAL H . . 6.300 4.307 4.163 4.575 . 0 0 "[ . 1 . 2]" 1
376 1 16 PRO QG 1 17 ILE H . . 5.570 4.901 4.843 4.941 . 0 0 "[ . 1 . 2]" 1
377 1 16 PRO QG 1 19 LYS H . . 5.700 3.058 2.833 3.290 . 0 0 "[ . 1 . 2]" 1
378 1 16 PRO HG2 1 19 LYS H . . 6.000 3.102 2.866 3.346 . 0 0 "[ . 1 . 2]" 1
379 1 16 PRO HG3 1 19 LYS H . . 6.000 4.655 4.452 4.868 . 0 0 "[ . 1 . 2]" 1
380 1 17 ILE H 1 17 ILE HB . . 2.760 2.392 2.277 2.455 . 0 0 "[ . 1 . 2]" 1
381 1 17 ILE H 1 17 ILE MD . . 5.370 4.175 4.113 4.220 . 0 0 "[ . 1 . 2]" 1
382 1 17 ILE H 1 17 ILE HG12 . . 4.960 4.499 4.460 4.562 . 0 0 "[ . 1 . 2]" 1
383 1 17 ILE H 1 17 ILE HG13 . . 4.560 4.316 4.231 4.360 . 0 0 "[ . 1 . 2]" 1
384 1 17 ILE H 1 17 ILE MG . . 3.430 2.083 1.927 2.418 . 0 0 "[ . 1 . 2]" 1
385 1 17 ILE H 1 18 GLU H . . 5.530 2.733 2.581 2.809 . 0 0 "[ . 1 . 2]" 1
386 1 17 ILE H 1 19 LYS H . . 6.000 4.330 4.169 4.620 . 0 0 "[ . 1 . 2]" 1
387 1 17 ILE H 1 86 GLU HG2 . . 5.320 3.551 3.140 3.811 . 0 0 "[ . 1 . 2]" 1
388 1 17 ILE H 1 86 GLU QG . . 4.530 2.824 2.431 3.101 . 0 0 "[ . 1 . 2]" 1
389 1 17 ILE H 1 86 GLU HG3 . . 5.320 2.980 2.465 3.377 . 0 0 "[ . 1 . 2]" 1
390 1 17 ILE H 1 91 THR HG1 . . 4.700 2.919 2.586 3.284 . 0 0 "[ . 1 . 2]" 1
391 1 17 ILE H 1 91 THR MG . . 5.080 3.666 3.452 3.935 . 0 0 "[ . 1 . 2]" 1
392 1 17 ILE HA 1 17 ILE HB . . 3.010 2.438 2.399 2.495 . 0 0 "[ . 1 . 2]" 1
393 1 17 ILE HA 1 17 ILE MD . . 4.360 3.582 3.430 3.685 . 0 0 "[ . 1 . 2]" 1
394 1 17 ILE HA 1 17 ILE HG12 . . 3.620 3.273 3.083 3.474 . 0 0 "[ . 1 . 2]" 1
395 1 17 ILE HA 1 17 ILE HG13 . . 3.050 2.322 2.201 2.373 . 0 0 "[ . 1 . 2]" 1
396 1 17 ILE HA 1 19 LYS H . . 4.560 3.973 3.701 4.369 . 0 0 "[ . 1 . 2]" 1
397 1 17 ILE HA 1 20 VAL H . . 4.160 3.247 3.121 3.390 . 0 0 "[ . 1 . 2]" 1
398 1 17 ILE HA 1 20 VAL HB . . 3.590 2.544 2.299 2.753 . 0 0 "[ . 1 . 2]" 1
399 1 17 ILE HA 1 20 VAL QG . . 6.500 2.892 2.485 3.260 . 0 0 "[ . 1 . 2]" 1
400 1 17 ILE HA 1 21 TRP H . . 5.210 3.467 3.221 3.868 . 0 0 "[ . 1 . 2]" 1
401 1 17 ILE HA 1 84 LEU MD2 . . 5.590 3.706 3.437 3.945 . 0 0 "[ . 1 . 2]" 1
402 1 17 ILE HA 1 91 THR HB . . 6.000 3.683 3.329 3.935 . 0 0 "[ . 1 . 2]" 1
403 1 17 ILE HA 1 91 THR HG1 . . 5.280 3.384 2.688 3.915 . 0 0 "[ . 1 . 2]" 1
404 1 17 ILE HA 1 91 THR MG . . 4.040 2.097 1.967 2.359 . 0 0 "[ . 1 . 2]" 1
405 1 17 ILE HB 1 17 ILE MD . . 3.640 2.181 2.070 2.316 . 0 0 "[ . 1 . 2]" 1
406 1 17 ILE HB 1 18 GLU H . . 4.200 4.137 4.069 4.207 0.007 18 0 "[ . 1 . 2]" 1
407 1 17 ILE HB 1 86 GLU HA . . 4.240 3.152 2.980 3.323 . 0 0 "[ . 1 . 2]" 1
408 1 17 ILE HB 1 86 GLU QG . . 5.120 2.463 2.108 2.769 . 0 0 "[ . 1 . 2]" 1
409 1 17 ILE HB 1 91 THR MG . . 4.400 2.134 1.978 2.505 . 0 0 "[ . 1 . 2]" 1
410 1 17 ILE MD 1 18 GLU H . . 6.340 5.084 4.998 5.205 . 0 0 "[ . 1 . 2]" 1
411 1 17 ILE MD 1 66 PRO QB . . 6.110 2.060 1.925 2.293 . 0 0 "[ . 1 . 2]" 1
412 1 17 ILE MD 1 66 PRO HD2 . . 6.240 4.639 4.160 4.986 . 0 0 "[ . 1 . 2]" 1
413 1 17 ILE MD 1 66 PRO HD3 . . 7.030 5.212 4.825 5.525 . 0 0 "[ . 1 . 2]" 1
414 1 17 ILE MD 1 66 PRO QG . . 5.320 2.748 2.303 3.210 . 0 0 "[ . 1 . 2]" 1
415 1 17 ILE MD 1 67 ILE HA . . 6.240 4.651 4.292 4.972 . 0 0 "[ . 1 . 2]" 1
416 1 17 ILE MD 1 84 LEU H . . 7.030 4.892 4.723 5.100 . 0 0 "[ . 1 . 2]" 1
417 1 17 ILE MD 1 84 LEU HA . . 5.730 3.966 3.772 4.241 . 0 0 "[ . 1 . 2]" 1
418 1 17 ILE MD 1 84 LEU HB2 . . 4.720 3.421 3.071 3.752 . 0 0 "[ . 1 . 2]" 1
419 1 17 ILE MD 1 84 LEU HB3 . . 4.220 2.226 1.981 2.520 . 0 0 "[ . 1 . 2]" 1
420 1 17 ILE MD 1 84 LEU MD2 . . 6.180 2.938 2.724 3.255 . 0 0 "[ . 1 . 2]" 1
421 1 17 ILE MD 1 85 LYS H . . 5.050 2.555 2.312 2.838 . 0 0 "[ . 1 . 2]" 1
422 1 17 ILE MD 1 85 LYS HA . . 3.930 2.744 2.630 2.895 . 0 0 "[ . 1 . 2]" 1
423 1 17 ILE MD 1 86 GLU H . . 3.930 2.172 2.003 2.334 . 0 0 "[ . 1 . 2]" 1
424 1 17 ILE MD 1 86 GLU HA . . 6.020 2.631 2.352 2.819 . 0 0 "[ . 1 . 2]" 1
425 1 17 ILE MD 1 86 GLU HB2 . . 4.650 2.135 1.984 2.375 . 0 0 "[ . 1 . 2]" 1
426 1 17 ILE MD 1 86 GLU QB . . 4.410 2.118 1.971 2.350 . 0 0 "[ . 1 . 2]" 1
427 1 17 ILE MD 1 86 GLU HB3 . . 4.650 3.556 3.407 3.745 . 0 0 "[ . 1 . 2]" 1
428 1 17 ILE MD 1 86 GLU HG2 . . 5.260 3.550 2.998 3.818 . 0 0 "[ . 1 . 2]" 1
429 1 17 ILE MD 1 86 GLU QG . . 4.850 3.114 2.759 3.381 . 0 0 "[ . 1 . 2]" 1
430 1 17 ILE MD 1 86 GLU HG3 . . 5.260 3.458 3.116 3.855 . 0 0 "[ . 1 . 2]" 1
431 1 17 ILE HG12 1 18 GLU H . . 4.880 4.369 4.259 4.643 . 0 0 "[ . 1 . 2]" 1
432 1 17 ILE HG12 1 66 PRO QB . . 6.560 2.312 1.983 2.630 . 0 0 "[ . 1 . 2]" 1
433 1 17 ILE HG12 1 84 LEU MD2 . . 5.410 3.366 2.993 3.780 . 0 0 "[ . 1 . 2]" 1
434 1 17 ILE HG13 1 18 GLU H . . 5.960 4.852 4.604 5.024 . 0 0 "[ . 1 . 2]" 1
435 1 17 ILE HG13 1 20 VAL HB . . 6.000 3.338 3.071 3.580 . 0 0 "[ . 1 . 2]" 1
436 1 17 ILE HG13 1 20 VAL QG . . 8.590 3.763 3.545 3.929 . 0 0 "[ . 1 . 2]" 1
437 1 17 ILE HG13 1 84 LEU MD2 . . 6.130 2.352 2.088 2.670 . 0 0 "[ . 1 . 2]" 1
438 1 17 ILE HG13 1 91 THR MG . . 3.820 2.073 1.860 2.526 . 0 0 "[ . 1 . 2]" 1
439 1 17 ILE MG 1 18 GLU H . . 3.430 2.340 2.056 2.516 . 0 0 "[ . 1 . 2]" 1
440 1 17 ILE MG 1 18 GLU HA . . 6.520 3.342 3.153 3.514 . 0 0 "[ . 1 . 2]" 1
441 1 17 ILE MG 1 18 GLU HB2 . . 7.030 3.445 3.269 3.546 . 0 0 "[ . 1 . 2]" 1
442 1 17 ILE MG 1 18 GLU HB3 . . 7.030 4.690 4.542 4.778 . 0 0 "[ . 1 . 2]" 1
443 1 17 ILE MG 1 18 GLU QG . . 5.670 3.894 3.703 4.023 . 0 0 "[ . 1 . 2]" 1
444 1 17 ILE MG 1 19 LYS H . . 7.030 4.476 4.361 4.680 . 0 0 "[ . 1 . 2]" 1
445 1 17 ILE MG 1 66 PRO QG . . 6.140 2.978 2.492 3.359 . 0 0 "[ . 1 . 2]" 1
446 1 17 ILE MG 1 84 LEU MD2 . . 8.060 4.662 4.457 4.888 . 0 0 "[ . 1 . 2]" 1
447 1 17 ILE MG 1 86 GLU HA . . 6.560 3.888 3.537 4.176 . 0 0 "[ . 1 . 2]" 1
448 1 17 ILE MG 1 86 GLU HB2 . . 4.650 2.173 1.980 2.439 . 0 0 "[ . 1 . 2]" 1
449 1 17 ILE MG 1 86 GLU QB . . 4.440 2.153 1.961 2.405 . 0 0 "[ . 1 . 2]" 1
450 1 17 ILE MG 1 86 GLU HB3 . . 4.650 3.509 3.183 3.653 . 0 0 "[ . 1 . 2]" 1
451 1 17 ILE MG 1 86 GLU HG2 . . 4.620 3.263 2.803 3.573 . 0 0 "[ . 1 . 2]" 1
452 1 17 ILE MG 1 86 GLU QG . . 4.280 2.063 1.859 2.417 . 0 0 "[ . 1 . 2]" 1
453 1 17 ILE MG 1 86 GLU HG3 . . 4.620 2.087 1.870 2.458 . 0 0 "[ . 1 . 2]" 1
454 1 18 GLU H 1 18 GLU HB2 . . 2.760 2.059 2.038 2.080 . 0 0 "[ . 1 . 2]" 1
455 1 18 GLU H 1 18 GLU HB3 . . 3.080 3.039 2.990 3.087 0.007 2 0 "[ . 1 . 2]" 1
456 1 18 GLU H 1 18 GLU QG . . 4.000 3.594 3.538 3.647 . 0 0 "[ . 1 . 2]" 1
457 1 18 GLU H 1 19 LYS H . . 3.050 2.676 2.570 2.799 . 0 0 "[ . 1 . 2]" 1
458 1 18 GLU H 1 20 VAL H . . 5.210 4.406 4.278 4.513 . 0 0 "[ . 1 . 2]" 1
459 1 18 GLU HA 1 20 VAL H . . 5.280 4.974 4.655 5.130 . 0 0 "[ . 1 . 2]" 1
460 1 18 GLU HA 1 21 TRP H . . 4.090 3.691 3.333 3.900 . 0 0 "[ . 1 . 2]" 1
461 1 18 GLU HA 1 21 TRP HB2 . . 4.090 3.590 3.132 3.906 . 0 0 "[ . 1 . 2]" 1
462 1 18 GLU HA 1 21 TRP HB3 . . 3.620 2.611 2.368 2.835 . 0 0 "[ . 1 . 2]" 1
463 1 18 GLU HA 1 22 GLU H . . 4.880 4.000 3.551 4.398 . 0 0 "[ . 1 . 2]" 1
464 1 18 GLU HB2 1 19 LYS H . . 3.700 3.554 3.333 3.704 0.004 15 0 "[ . 1 . 2]" 1
465 1 18 GLU HB3 1 19 LYS H . . 3.520 3.008 2.659 3.283 . 0 0 "[ . 1 . 2]" 1
466 1 18 GLU QG 1 19 LYS H . . 6.520 4.569 4.393 4.724 . 0 0 "[ . 1 . 2]" 1
467 1 19 LYS H 1 19 LYS HB2 . . 3.410 2.338 2.049 2.501 . 0 0 "[ . 1 . 2]" 1
468 1 19 LYS H 1 19 LYS HB3 . . 3.480 2.725 2.599 3.007 . 0 0 "[ . 1 . 2]" 1
469 1 19 LYS H 1 19 LYS HD2 . . 5.960 4.890 4.412 5.501 . 0 0 "[ . 1 . 2]" 1
470 1 19 LYS H 1 19 LYS QD . . 5.680 4.372 3.952 4.509 . 0 0 "[ . 1 . 2]" 1
471 1 19 LYS H 1 19 LYS HD3 . . 5.960 5.005 4.460 5.443 . 0 0 "[ . 1 . 2]" 1
472 1 19 LYS H 1 19 LYS HG2 . . 4.670 4.483 4.307 4.562 . 0 0 "[ . 1 . 2]" 1
473 1 19 LYS H 1 19 LYS QG . . 4.530 3.893 3.662 3.970 . 0 0 "[ . 1 . 2]" 1
474 1 19 LYS H 1 19 LYS HG3 . . 4.670 4.281 3.923 4.456 . 0 0 "[ . 1 . 2]" 1
475 1 19 LYS H 1 20 VAL H . . 2.980 2.575 2.406 2.787 . 0 0 "[ . 1 . 2]" 1
476 1 19 LYS H 1 20 VAL HA . . 6.000 5.120 4.982 5.310 . 0 0 "[ . 1 . 2]" 1
477 1 19 LYS H 1 20 VAL QG . . 6.390 3.853 3.621 4.078 . 0 0 "[ . 1 . 2]" 1
478 1 19 LYS H 1 21 TRP H . . 4.670 3.727 3.506 4.120 . 0 0 "[ . 1 . 2]" 1
479 1 19 LYS H 1 22 GLU H . . 5.390 4.512 4.360 4.638 . 0 0 "[ . 1 . 2]" 1
480 1 19 LYS HA 1 19 LYS HD2 . . 4.670 4.289 3.947 4.684 0.014 8 0 "[ . 1 . 2]" 1
481 1 19 LYS HA 1 19 LYS HD3 . . 4.670 4.496 4.228 4.683 0.013 10 0 "[ . 1 . 2]" 1
482 1 19 LYS HA 1 19 LYS HG2 . . 3.840 2.766 2.212 3.165 . 0 0 "[ . 1 . 2]" 1
483 1 19 LYS HA 1 19 LYS HG3 . . 3.840 2.397 2.039 2.755 . 0 0 "[ . 1 . 2]" 1
484 1 19 LYS HA 1 21 TRP H . . 6.000 4.318 4.076 4.583 . 0 0 "[ . 1 . 2]" 1
485 1 19 LYS HA 1 22 GLU H . . 3.950 3.377 3.083 3.553 . 0 0 "[ . 1 . 2]" 1
486 1 19 LYS HA 1 22 GLU HB2 . . 3.950 2.789 2.409 3.138 . 0 0 "[ . 1 . 2]" 1
487 1 19 LYS HA 1 22 GLU HB3 . . 4.240 3.703 3.374 4.126 . 0 0 "[ . 1 . 2]" 1
488 1 19 LYS HA 1 23 ALA H . . 5.600 4.178 3.937 4.363 . 0 0 "[ . 1 . 2]" 1
489 1 19 LYS HB2 1 19 LYS HD2 . . 3.410 2.619 2.159 3.251 . 0 0 "[ . 1 . 2]" 1
490 1 19 LYS HB2 1 19 LYS QD . . 3.170 2.428 2.126 2.780 . 0 0 "[ . 1 . 2]" 1
491 1 19 LYS HB2 1 19 LYS HD3 . . 3.410 3.048 2.415 3.385 . 0 0 "[ . 1 . 2]" 1
492 1 19 LYS HB2 1 20 VAL H . . 3.660 3.582 3.377 3.682 0.022 7 0 "[ . 1 . 2]" 1
493 1 19 LYS HB2 1 20 VAL QG . . 7.000 4.274 4.019 4.426 . 0 0 "[ . 1 . 2]" 1
494 1 19 LYS HB3 1 20 VAL H . . 3.440 2.443 2.379 2.628 . 0 0 "[ . 1 . 2]" 1
495 1 19 LYS HB3 1 20 VAL QG . . 7.760 2.921 2.822 3.077 . 0 0 "[ . 1 . 2]" 1
496 1 19 LYS HD2 1 20 VAL H . . 6.000 5.488 5.132 5.924 . 0 0 "[ . 1 . 2]" 1
497 1 19 LYS HD3 1 20 VAL H . . 6.000 4.816 4.068 5.393 . 0 0 "[ . 1 . 2]" 1
498 1 19 LYS QG 1 20 VAL H . . 5.210 3.938 3.724 4.293 . 0 0 "[ . 1 . 2]" 1
499 1 19 LYS QG 1 23 ALA MB . . 6.220 3.552 3.065 4.112 . 0 0 "[ . 1 . 2]" 1
500 1 19 LYS HG2 1 20 VAL H . . 5.530 4.160 3.897 4.607 . 0 0 "[ . 1 . 2]" 1
501 1 19 LYS HG3 1 20 VAL H . . 5.530 4.880 4.631 5.137 . 0 0 "[ . 1 . 2]" 1
502 1 20 VAL H 1 20 VAL HB . . 2.900 2.498 2.386 2.643 . 0 0 "[ . 1 . 2]" 1
503 1 20 VAL H 1 20 VAL MG1 . . 4.690 3.694 3.678 3.702 . 0 0 "[ . 1 . 2]" 1
504 1 20 VAL H 1 20 VAL QG . . 3.810 1.957 1.899 2.049 . 0 0 "[ . 1 . 2]" 1
505 1 20 VAL H 1 20 VAL MG2 . . 4.690 1.964 1.905 2.059 . 0 0 "[ . 1 . 2]" 1
506 1 20 VAL H 1 21 TRP H . . 3.050 2.735 2.666 2.838 . 0 0 "[ . 1 . 2]" 1
507 1 20 VAL H 1 22 GLU H . . 5.100 4.331 4.009 4.518 . 0 0 "[ . 1 . 2]" 1
508 1 20 VAL H 1 23 ALA MB . . 6.560 4.193 4.006 4.428 . 0 0 "[ . 1 . 2]" 1
509 1 20 VAL H 1 84 LEU MD2 . . 5.770 4.737 4.510 4.880 . 0 0 "[ . 1 . 2]" 1
510 1 20 VAL H 1 91 THR MG . . 5.520 4.263 4.128 4.411 . 0 0 "[ . 1 . 2]" 1
511 1 20 VAL HA 1 22 GLU H . . 5.210 4.566 4.108 4.838 . 0 0 "[ . 1 . 2]" 1
512 1 20 VAL HA 1 23 ALA H . . 3.730 3.154 2.971 3.465 . 0 0 "[ . 1 . 2]" 1
513 1 20 VAL HA 1 23 ALA MB . . 4.150 2.155 1.956 2.452 . 0 0 "[ . 1 . 2]" 1
514 1 20 VAL HA 1 24 VAL H . . 5.460 4.461 4.000 4.739 . 0 0 "[ . 1 . 2]" 1
515 1 20 VAL HA 1 24 VAL MG1 . . 7.030 3.680 3.325 4.093 . 0 0 "[ . 1 . 2]" 1
516 1 20 VAL HB 1 21 TRP H . . 3.590 2.733 2.518 2.896 . 0 0 "[ . 1 . 2]" 1
517 1 20 VAL HB 1 84 LEU MD2 . . 3.930 2.846 2.585 3.124 . 0 0 "[ . 1 . 2]" 1
518 1 20 VAL HB 1 91 THR MG . . 4.290 2.518 2.221 2.783 . 0 0 "[ . 1 . 2]" 1
519 1 20 VAL QG 1 21 TRP H . . 5.830 3.324 3.148 3.421 . 0 0 "[ . 1 . 2]" 1
520 1 20 VAL QG 1 21 TRP HA . . 8.590 3.648 3.377 3.943 . 0 0 "[ . 1 . 2]" 1
521 1 20 VAL QG 1 23 ALA H . . 7.400 4.079 3.965 4.308 . 0 0 "[ . 1 . 2]" 1
522 1 20 VAL QG 1 23 ALA MB . . 7.820 3.054 2.794 3.422 . 0 0 "[ . 1 . 2]" 1
523 1 20 VAL QG 1 24 VAL H . . 8.550 4.278 3.856 4.651 . 0 0 "[ . 1 . 2]" 1
524 1 20 VAL QG 1 24 VAL MG1 . . 8.180 2.338 1.966 2.740 . 0 0 "[ . 1 . 2]" 1
525 1 20 VAL QG 1 84 LEU MD1 . . 8.360 3.551 3.219 3.804 . 0 0 "[ . 1 . 2]" 1
526 1 20 VAL QG 1 84 LEU MD2 . . 6.950 1.944 1.744 2.195 . 0 0 "[ . 1 . 2]" 1
527 1 20 VAL QG 1 84 LEU HG . . 7.580 3.729 3.402 4.006 . 0 0 "[ . 1 . 2]" 1
528 1 20 VAL QG 1 91 THR H . . 7.180 4.448 4.241 4.663 . 0 0 "[ . 1 . 2]" 1
529 1 20 VAL QG 1 91 THR HB . . 5.600 2.689 2.489 2.971 . 0 0 "[ . 1 . 2]" 1
530 1 20 VAL QG 1 91 THR HG1 . . 7.900 3.956 3.428 4.485 . 0 0 "[ . 1 . 2]" 1
531 1 20 VAL QG 1 91 THR MG . . 6.520 2.409 2.224 2.658 . 0 0 "[ . 1 . 2]" 1
532 1 20 VAL QG 1 93 PHE QB . . 8.190 3.263 3.034 3.512 . 0 0 "[ . 1 . 2]" 1
533 1 20 VAL QG 1 93 PHE QD . . 8.620 2.378 2.022 2.851 . 0 0 "[ . 1 . 2]" 1
534 1 20 VAL MG1 1 21 TRP H . . 7.030 3.656 3.335 3.953 . 0 0 "[ . 1 . 2]" 1
535 1 20 VAL MG1 1 93 PHE HB2 . . 10.150 3.404 3.156 3.696 . 0 0 "[ . 1 . 2]" 1
536 1 20 VAL MG1 1 93 PHE HB3 . . 10.150 4.723 4.407 4.959 . 0 0 "[ . 1 . 2]" 1
537 1 20 VAL MG2 1 21 TRP H . . 7.030 3.842 3.668 3.968 . 0 0 "[ . 1 . 2]" 1
538 1 20 VAL MG2 1 93 PHE HB2 . . 10.150 4.876 4.395 5.203 . 0 0 "[ . 1 . 2]" 1
539 1 20 VAL MG2 1 93 PHE HB3 . . 10.150 6.115 5.642 6.496 . 0 0 "[ . 1 . 2]" 1
540 1 21 TRP H 1 21 TRP HB2 . . 3.550 2.519 2.360 2.652 . 0 0 "[ . 1 . 2]" 1
541 1 21 TRP H 1 21 TRP HB3 . . 3.410 2.409 2.297 2.567 . 0 0 "[ . 1 . 2]" 1
542 1 21 TRP H 1 22 GLU H . . 3.550 2.725 2.422 2.882 . 0 0 "[ . 1 . 2]" 1
543 1 21 TRP H 1 23 ALA H . . 5.420 3.748 3.620 3.904 . 0 0 "[ . 1 . 2]" 1
544 1 21 TRP H 1 84 LEU MD1 . . 6.560 5.287 5.061 5.359 . 0 0 "[ . 1 . 2]" 1
545 1 21 TRP H 1 84 LEU MD2 . . 4.360 3.515 3.407 3.621 . 0 0 "[ . 1 . 2]" 1
546 1 21 TRP HA 1 21 TRP HE3 . . 4.990 1.985 1.950 2.012 . 0 0 "[ . 1 . 2]" 1
547 1 21 TRP HA 1 23 ALA H . . 6.000 4.069 3.867 4.407 . 0 0 "[ . 1 . 2]" 1
548 1 21 TRP HA 1 24 VAL H . . 4.200 3.397 3.048 3.710 . 0 0 "[ . 1 . 2]" 1
549 1 21 TRP HA 1 24 VAL MG2 . . 3.540 1.928 1.771 2.112 . 0 0 "[ . 1 . 2]" 1
550 1 21 TRP HA 1 84 LEU MD1 . . 6.880 3.407 3.112 3.745 . 0 0 "[ . 1 . 2]" 1
551 1 21 TRP HA 1 84 LEU MD2 . . 4.400 2.630 2.162 3.053 . 0 0 "[ . 1 . 2]" 1
552 1 21 TRP HB2 1 22 GLU H . . 4.270 3.885 3.686 4.109 . 0 0 "[ . 1 . 2]" 1
553 1 21 TRP HB2 1 84 LEU MD2 . . 5.550 3.156 2.739 3.434 . 0 0 "[ . 1 . 2]" 1
554 1 21 TRP HB3 1 22 GLU H . . 3.660 2.528 2.336 2.910 . 0 0 "[ . 1 . 2]" 1
555 1 21 TRP HB3 1 84 LEU MD2 . . 5.800 4.438 4.109 4.684 . 0 0 "[ . 1 . 2]" 1
556 1 21 TRP HE1 1 25 SER HB2 . . 6.000 4.631 4.053 5.200 . 0 0 "[ . 1 . 2]" 1
557 1 21 TRP HE1 1 63 VAL MG2 . . 6.810 5.167 4.687 5.626 . 0 0 "[ . 1 . 2]" 1
558 1 21 TRP HE1 1 65 ARG HB2 . . 5.530 5.495 5.202 5.544 0.014 5 0 "[ . 1 . 2]" 1
559 1 21 TRP HE1 1 65 ARG QB . . 5.370 4.806 4.561 4.858 . 0 0 "[ . 1 . 2]" 1
560 1 21 TRP HE1 1 65 ARG HB3 . . 5.530 5.309 5.045 5.455 . 0 0 "[ . 1 . 2]" 1
561 1 21 TRP HE1 1 65 ARG HD2 . . 6.000 5.552 4.577 6.026 0.026 15 0 "[ . 1 . 2]" 1
562 1 21 TRP HE1 1 65 ARG QD . . 5.690 4.866 4.345 5.101 . 0 0 "[ . 1 . 2]" 1
563 1 21 TRP HE1 1 65 ARG HD3 . . 6.000 5.452 5.067 5.781 . 0 0 "[ . 1 . 2]" 1
564 1 21 TRP HE1 1 65 ARG HG2 . . 5.930 4.437 3.313 5.761 . 0 0 "[ . 1 . 2]" 1
565 1 21 TRP HE1 1 65 ARG QG . . 5.280 3.605 3.245 3.992 . 0 0 "[ . 1 . 2]" 1
566 1 21 TRP HE1 1 65 ARG HG3 . . 5.930 4.410 3.578 5.106 . 0 0 "[ . 1 . 2]" 1
567 1 21 TRP HE1 1 66 PRO HD2 . . 6.000 4.657 4.427 5.000 . 0 0 "[ . 1 . 2]" 1
568 1 21 TRP HE3 1 24 VAL MG2 . . 5.080 2.232 2.006 2.438 . 0 0 "[ . 1 . 2]" 1
569 1 21 TRP HE3 1 84 LEU MD1 . . 4.470 2.215 1.980 2.680 . 0 0 "[ . 1 . 2]" 1
570 1 21 TRP HE3 1 84 LEU MD2 . . 4.650 2.636 2.248 3.091 . 0 0 "[ . 1 . 2]" 1
571 1 21 TRP HH2 1 63 VAL HA . . 5.060 3.616 3.455 3.792 . 0 0 "[ . 1 . 2]" 1
572 1 21 TRP HH2 1 63 VAL MG1 . . 6.490 5.340 5.201 5.460 . 0 0 "[ . 1 . 2]" 1
573 1 21 TRP HH2 1 63 VAL MG2 . . 3.860 2.705 2.470 2.863 . 0 0 "[ . 1 . 2]" 1
574 1 21 TRP HH2 1 64 GLU H . . 4.340 3.216 3.059 3.519 . 0 0 "[ . 1 . 2]" 1
575 1 21 TRP HH2 1 69 LEU HB2 . . 5.390 2.439 1.999 3.014 . 0 0 "[ . 1 . 2]" 1
576 1 21 TRP HH2 1 69 LEU QB . . 5.070 2.421 1.991 2.980 . 0 0 "[ . 1 . 2]" 1
577 1 21 TRP HH2 1 69 LEU HB3 . . 5.390 4.110 3.632 4.688 . 0 0 "[ . 1 . 2]" 1
578 1 21 TRP HH2 1 69 LEU MD1 . . 4.720 2.476 2.153 3.013 . 0 0 "[ . 1 . 2]" 1
579 1 21 TRP HH2 1 69 LEU MD2 . . 6.740 3.578 3.234 4.060 . 0 0 "[ . 1 . 2]" 1
580 1 21 TRP HZ2 1 41 ALA MB . . 5.370 3.745 3.571 3.993 . 0 0 "[ . 1 . 2]" 1
581 1 21 TRP HZ2 1 63 VAL MG1 . . 7.030 5.387 5.100 5.734 . 0 0 "[ . 1 . 2]" 1
582 1 21 TRP HZ2 1 63 VAL MG2 . . 4.260 3.086 2.711 3.451 . 0 0 "[ . 1 . 2]" 1
583 1 21 TRP HZ2 1 64 GLU H . . 5.570 3.929 3.542 4.374 . 0 0 "[ . 1 . 2]" 1
584 1 21 TRP HZ2 1 65 ARG HA . . 4.520 2.720 2.216 3.156 . 0 0 "[ . 1 . 2]" 1
585 1 21 TRP HZ2 1 65 ARG HB2 . . 6.000 4.834 4.613 5.100 . 0 0 "[ . 1 . 2]" 1
586 1 21 TRP HZ2 1 65 ARG HB3 . . 6.000 4.976 4.781 5.184 . 0 0 "[ . 1 . 2]" 1
587 1 21 TRP HZ2 1 69 LEU MD1 . . 6.380 3.894 3.413 4.702 . 0 0 "[ . 1 . 2]" 1
588 1 21 TRP HZ3 1 68 LYS H . . 6.000 4.780 4.565 4.978 . 0 0 "[ . 1 . 2]" 1
589 1 21 TRP HZ3 1 69 LEU HB2 . . 5.390 2.547 2.299 2.746 . 0 0 "[ . 1 . 2]" 1
590 1 21 TRP HZ3 1 69 LEU HB3 . . 5.390 3.338 3.086 3.518 . 0 0 "[ . 1 . 2]" 1
591 1 21 TRP HZ3 1 69 LEU MD1 . . 7.030 3.453 3.223 3.628 . 0 0 "[ . 1 . 2]" 1
592 1 21 TRP HZ3 1 84 LEU MD1 . . 5.620 2.352 1.989 2.773 . 0 0 "[ . 1 . 2]" 1
593 1 22 GLU H 1 22 GLU HB2 . . 3.050 2.037 2.019 2.097 . 0 0 "[ . 1 . 2]" 1
594 1 22 GLU H 1 22 GLU HB3 . . 3.480 3.227 3.116 3.392 . 0 0 "[ . 1 . 2]" 1
595 1 22 GLU H 1 22 GLU HG2 . . 4.240 4.084 3.371 4.274 0.034 10 0 "[ . 1 . 2]" 1
596 1 22 GLU H 1 22 GLU HG3 . . 4.240 3.615 3.304 3.947 . 0 0 "[ . 1 . 2]" 1
597 1 22 GLU H 1 23 ALA H . . 3.120 2.607 2.421 2.724 . 0 0 "[ . 1 . 2]" 1
598 1 22 GLU H 1 23 ALA MB . . 6.060 4.173 4.036 4.344 . 0 0 "[ . 1 . 2]" 1
599 1 22 GLU H 1 25 SER HG . . 6.000 4.817 4.006 5.879 . 0 0 "[ . 1 . 2]" 1
600 1 22 GLU H 1 26 THR MG . . 6.810 5.267 5.011 5.496 . 0 0 "[ . 1 . 2]" 1
601 1 22 GLU HA 1 22 GLU HG2 . . 3.550 2.242 2.011 3.462 . 0 0 "[ . 1 . 2]" 1
602 1 22 GLU HA 1 22 GLU QG . . 3.370 2.087 1.982 2.165 . 0 0 "[ . 1 . 2]" 1
603 1 22 GLU HA 1 22 GLU HG3 . . 3.550 2.769 2.124 3.458 . 0 0 "[ . 1 . 2]" 1
604 1 22 GLU HA 1 24 VAL H . . 5.140 3.728 3.434 4.537 . 0 0 "[ . 1 . 2]" 1
605 1 22 GLU HA 1 25 SER H . . 3.880 3.174 2.853 3.562 . 0 0 "[ . 1 . 2]" 1
606 1 22 GLU HA 1 25 SER HG . . 3.550 2.199 1.975 3.068 . 0 0 "[ . 1 . 2]" 1
607 1 22 GLU HA 1 26 THR MG . . 4.360 3.170 2.838 3.387 . 0 0 "[ . 1 . 2]" 1
608 1 22 GLU HB2 1 23 ALA H . . 3.550 3.463 3.105 3.574 0.024 15 0 "[ . 1 . 2]" 1
609 1 22 GLU HB2 1 26 THR MG . . 6.060 4.546 4.147 4.823 . 0 0 "[ . 1 . 2]" 1
610 1 22 GLU HB3 1 23 ALA H . . 3.440 3.387 3.191 3.463 0.023 8 0 "[ . 1 . 2]" 1
611 1 22 GLU HB3 1 23 ALA MB . . 7.030 4.218 4.088 4.458 . 0 0 "[ . 1 . 2]" 1
612 1 22 GLU QG 1 23 ALA H . . 5.810 4.613 4.513 4.702 . 0 0 "[ . 1 . 2]" 1
613 1 22 GLU QG 1 26 THR MG . . 4.900 2.717 2.263 3.474 . 0 0 "[ . 1 . 2]" 1
614 1 22 GLU HG2 1 23 ALA H . . 6.000 5.080 4.956 5.419 . 0 0 "[ . 1 . 2]" 1
615 1 22 GLU HG2 1 26 THR MG . . 5.190 2.800 2.280 3.787 . 0 0 "[ . 1 . 2]" 1
616 1 22 GLU HG3 1 23 ALA H . . 6.000 5.303 5.090 5.528 . 0 0 "[ . 1 . 2]" 1
617 1 22 GLU HG3 1 26 THR MG . . 5.190 4.042 3.262 4.367 . 0 0 "[ . 1 . 2]" 1
618 1 23 ALA H 1 23 ALA MB . . 3.430 2.092 1.942 2.219 . 0 0 "[ . 1 . 2]" 1
619 1 23 ALA H 1 24 VAL H . . 3.230 2.425 2.266 2.651 . 0 0 "[ . 1 . 2]" 1
620 1 23 ALA H 1 24 VAL MG1 . . 5.660 3.790 3.510 4.035 . 0 0 "[ . 1 . 2]" 1
621 1 23 ALA H 1 24 VAL MG2 . . 5.660 3.813 3.578 3.995 . 0 0 "[ . 1 . 2]" 1
622 1 23 ALA HA 1 29 GLY H . . 4.520 4.366 4.110 4.521 0.001 17 0 "[ . 1 . 2]" 1
623 1 23 ALA HA 1 29 GLY HA2 . . 4.130 3.654 3.251 4.004 . 0 0 "[ . 1 . 2]" 1
624 1 23 ALA HA 1 29 GLY HA3 . . 3.520 2.361 2.092 2.540 . 0 0 "[ . 1 . 2]" 1
625 1 23 ALA HA 1 33 TRP HE1 . . 5.500 4.690 4.342 5.080 . 0 0 "[ . 1 . 2]" 1
626 1 23 ALA MB 1 24 VAL H . . 3.930 3.102 2.739 3.229 . 0 0 "[ . 1 . 2]" 1
627 1 23 ALA MB 1 24 VAL MG1 . . 6.620 2.608 2.463 2.772 . 0 0 "[ . 1 . 2]" 1
628 1 23 ALA MB 1 24 VAL MG2 . . 7.840 3.997 3.796 4.170 . 0 0 "[ . 1 . 2]" 1
629 1 23 ALA MB 1 29 GLY HA2 . . 7.030 3.926 3.484 4.289 . 0 0 "[ . 1 . 2]" 1
630 1 23 ALA MB 1 29 GLY HA3 . . 6.960 3.492 3.229 3.673 . 0 0 "[ . 1 . 2]" 1
631 1 23 ALA MB 1 33 TRP HD1 . . 5.160 4.033 3.823 4.150 . 0 0 "[ . 1 . 2]" 1
632 1 23 ALA MB 1 33 TRP HE1 . . 5.120 3.459 3.164 3.763 . 0 0 "[ . 1 . 2]" 1
633 1 24 VAL H 1 24 VAL MG1 . . 3.640 2.633 2.173 2.879 . 0 0 "[ . 1 . 2]" 1
634 1 24 VAL H 1 24 VAL MG2 . . 3.430 2.239 1.995 2.354 . 0 0 "[ . 1 . 2]" 1
635 1 24 VAL H 1 25 SER H . . 3.480 2.206 1.904 2.578 . 0 0 "[ . 1 . 2]" 1
636 1 24 VAL H 1 25 SER HG . . 6.000 4.483 4.034 5.259 . 0 0 "[ . 1 . 2]" 1
637 1 24 VAL H 1 26 THR H . . 4.160 3.896 3.620 4.182 0.022 6 0 "[ . 1 . 2]" 1
638 1 24 VAL HA 1 24 VAL MG1 . . 3.750 2.446 2.274 2.512 . 0 0 "[ . 1 . 2]" 1
639 1 24 VAL HA 1 30 LEU MD1 . . 5.340 2.324 1.923 2.789 . 0 0 "[ . 1 . 2]" 1
640 1 24 VAL HA 1 30 LEU MD2 . . 5.440 3.292 3.035 3.787 . 0 0 "[ . 1 . 2]" 1
641 1 24 VAL HA 1 33 TRP HE1 . . 3.480 3.284 2.951 3.468 . 0 0 "[ . 1 . 2]" 1
642 1 24 VAL HA 1 33 TRP HZ2 . . 4.990 3.393 3.016 3.672 . 0 0 "[ . 1 . 2]" 1
643 1 24 VAL HB 1 25 SER H . . 5.710 4.541 4.451 4.609 . 0 0 "[ . 1 . 2]" 1
644 1 24 VAL HB 1 30 LEU MD1 . . 5.160 3.541 3.075 3.886 . 0 0 "[ . 1 . 2]" 1
645 1 24 VAL HB 1 30 LEU MD2 . . 6.850 3.802 3.464 4.221 . 0 0 "[ . 1 . 2]" 1
646 1 24 VAL HB 1 33 TRP HE1 . . 6.000 4.770 4.241 5.112 . 0 0 "[ . 1 . 2]" 1
647 1 24 VAL HB 1 33 TRP HZ2 . . 4.990 3.453 3.048 3.780 . 0 0 "[ . 1 . 2]" 1
648 1 24 VAL HB 1 82 PHE QD . . 8.120 4.264 3.672 4.773 . 0 0 "[ . 1 . 2]" 1
649 1 24 VAL HB 1 82 PHE QE . . 7.370 4.826 4.328 5.310 . 0 0 "[ . 1 . 2]" 1
650 1 24 VAL MG1 1 25 SER H . . 7.030 4.161 4.087 4.294 . 0 0 "[ . 1 . 2]" 1
651 1 24 VAL MG1 1 30 LEU MD1 . . 8.060 4.003 3.569 4.460 . 0 0 "[ . 1 . 2]" 1
652 1 24 VAL MG1 1 30 LEU MD2 . . 8.060 3.881 3.605 4.423 . 0 0 "[ . 1 . 2]" 1
653 1 24 VAL MG1 1 33 TRP HE1 . . 4.400 2.987 2.613 3.241 . 0 0 "[ . 1 . 2]" 1
654 1 24 VAL MG1 1 33 TRP HZ2 . . 4.110 2.543 2.024 2.965 . 0 0 "[ . 1 . 2]" 1
655 1 24 VAL MG1 1 82 PHE QE . . 9.150 4.936 4.532 5.531 . 0 0 "[ . 1 . 2]" 1
656 1 24 VAL MG1 1 84 LEU MD1 . . 5.820 2.973 2.681 3.402 . 0 0 "[ . 1 . 2]" 1
657 1 24 VAL MG1 1 84 LEU MD2 . . 8.060 2.832 2.542 3.215 . 0 0 "[ . 1 . 2]" 1
658 1 24 VAL MG1 1 93 PHE QD . . 7.600 3.393 3.050 3.730 . 0 0 "[ . 1 . 2]" 1
659 1 24 VAL MG1 1 93 PHE QE . . 7.030 1.906 1.816 2.105 . 0 0 "[ . 1 . 2]" 1
660 1 24 VAL MG1 1 93 PHE HZ . . 4.580 3.124 2.270 3.518 . 0 0 "[ . 1 . 2]" 1
661 1 24 VAL MG2 1 25 SER H . . 4.260 3.235 3.030 3.388 . 0 0 "[ . 1 . 2]" 1
662 1 24 VAL MG2 1 25 SER HA . . 7.030 3.659 3.448 3.860 . 0 0 "[ . 1 . 2]" 1
663 1 24 VAL MG2 1 25 SER HB3 . . 5.230 3.263 2.944 3.531 . 0 0 "[ . 1 . 2]" 1
664 1 24 VAL MG2 1 25 SER HG . . 6.740 4.900 4.458 5.486 . 0 0 "[ . 1 . 2]" 1
665 1 24 VAL MG2 1 82 PHE QB . . 5.710 3.966 3.795 4.112 . 0 0 "[ . 1 . 2]" 1
666 1 24 VAL MG2 1 82 PHE QD . . 8.500 4.621 4.239 4.925 . 0 0 "[ . 1 . 2]" 1
667 1 24 VAL MG2 1 82 PHE QE . . 9.150 5.615 5.347 5.898 . 0 0 "[ . 1 . 2]" 1
668 1 24 VAL MG2 1 84 LEU MD1 . . 5.640 2.004 1.813 2.259 . 0 0 "[ . 1 . 2]" 1
669 1 24 VAL MG2 1 84 LEU MD2 . . 6.440 2.423 1.988 2.734 . 0 0 "[ . 1 . 2]" 1
670 1 24 VAL MG2 1 93 PHE QD . . 8.830 4.449 3.900 4.821 . 0 0 "[ . 1 . 2]" 1
671 1 24 VAL MG2 1 93 PHE QE . . 6.920 3.477 3.042 3.849 . 0 0 "[ . 1 . 2]" 1
672 1 25 SER H 1 25 SER HB2 . . 4.020 3.742 3.672 3.855 . 0 0 "[ . 1 . 2]" 1
673 1 25 SER H 1 25 SER HB3 . . 3.480 2.756 2.495 3.017 . 0 0 "[ . 1 . 2]" 1
674 1 25 SER H 1 25 SER HG . . 3.550 2.866 2.222 3.625 0.075 15 0 "[ . 1 . 2]" 1
675 1 25 SER H 1 26 THR H . . 2.870 1.922 1.875 2.039 . 0 0 "[ . 1 . 2]" 1
676 1 25 SER H 1 26 THR HG1 . . 6.000 3.853 2.506 4.525 . 0 0 "[ . 1 . 2]" 1
677 1 25 SER H 1 26 THR MG . . 5.080 3.524 3.051 3.830 . 0 0 "[ . 1 . 2]" 1
678 1 25 SER HA 1 25 SER HB2 . . 3.050 2.353 2.257 2.462 . 0 0 "[ . 1 . 2]" 1
679 1 25 SER HA 1 30 LEU MD2 . . 6.810 5.522 5.296 5.638 . 0 0 "[ . 1 . 2]" 1
680 1 25 SER HA 1 39 LEU MD2 . . 4.440 2.780 2.629 3.113 . 0 0 "[ . 1 . 2]" 1
681 1 25 SER HA 1 41 ALA MB . . 5.480 2.439 2.057 3.019 . 0 0 "[ . 1 . 2]" 1
682 1 25 SER HA 1 69 LEU MD1 . . 4.830 3.732 3.574 3.857 . 0 0 "[ . 1 . 2]" 1
683 1 25 SER HA 1 69 LEU MD2 . . 4.470 3.466 3.322 3.580 . 0 0 "[ . 1 . 2]" 1
684 1 25 SER HB2 1 26 THR H . . 5.930 4.210 3.877 4.695 . 0 0 "[ . 1 . 2]" 1
685 1 25 SER HB2 1 41 ALA MB . . 4.110 2.050 1.831 2.290 . 0 0 "[ . 1 . 2]" 1
686 1 25 SER HB2 1 69 LEU MD1 . . 6.850 4.582 4.010 5.064 . 0 0 "[ . 1 . 2]" 1
687 1 25 SER HB2 1 69 LEU MD2 . . 6.520 4.915 4.336 5.171 . 0 0 "[ . 1 . 2]" 1
688 1 25 SER HB3 1 26 THR H . . 5.460 3.902 3.662 4.405 . 0 0 "[ . 1 . 2]" 1
689 1 25 SER HB3 1 41 ALA MB . . 6.780 3.321 3.019 3.717 . 0 0 "[ . 1 . 2]" 1
690 1 25 SER HB3 1 69 LEU MD1 . . 6.200 4.863 4.600 4.985 . 0 0 "[ . 1 . 2]" 1
691 1 25 SER HB3 1 69 LEU MD2 . . 6.340 4.620 4.332 4.850 . 0 0 "[ . 1 . 2]" 1
692 1 25 SER HG 1 26 THR H . . 6.000 2.786 1.960 4.850 . 0 0 "[ . 1 . 2]" 1
693 1 26 THR H 1 26 THR HB . . 4.020 3.592 3.534 3.768 . 0 0 "[ . 1 . 2]" 1
694 1 26 THR H 1 26 THR HG1 . . 3.160 2.456 1.927 3.111 . 0 0 "[ . 1 . 2]" 1
695 1 26 THR H 1 26 THR MG . . 4.040 2.460 2.045 2.881 . 0 0 "[ . 1 . 2]" 1
696 1 26 THR H 1 27 SER H . . 5.030 4.539 4.456 4.602 . 0 0 "[ . 1 . 2]" 1
697 1 26 THR H 1 29 GLY H . . 5.390 4.344 3.953 4.577 . 0 0 "[ . 1 . 2]" 1
698 1 26 THR H 1 29 GLY HA3 . . 4.960 4.154 3.699 4.379 . 0 0 "[ . 1 . 2]" 1
699 1 26 THR H 1 30 LEU H . . 4.670 4.360 3.616 4.622 . 0 0 "[ . 1 . 2]" 1
700 1 26 THR H 1 30 LEU MD1 . . 7.030 3.140 2.602 3.549 . 0 0 "[ . 1 . 2]" 1
701 1 26 THR H 1 30 LEU MD2 . . 7.030 5.764 5.217 5.906 . 0 0 "[ . 1 . 2]" 1
702 1 26 THR H 1 30 LEU HG . . 5.570 4.927 4.162 5.233 . 0 0 "[ . 1 . 2]" 1
703 1 26 THR H 1 39 LEU MD2 . . 6.130 4.078 3.413 4.368 . 0 0 "[ . 1 . 2]" 1
704 1 26 THR HA 1 26 THR MG . . 3.680 2.438 2.317 2.604 . 0 0 "[ . 1 . 2]" 1
705 1 26 THR HA 1 27 SER H . . 2.760 2.509 2.419 2.663 . 0 0 "[ . 1 . 2]" 1
706 1 26 THR HA 1 28 GLU H . . 4.700 4.593 4.377 4.710 0.010 16 0 "[ . 1 . 2]" 1
707 1 26 THR HA 1 39 LEU MD2 . . 5.410 3.594 3.175 3.912 . 0 0 "[ . 1 . 2]" 1
708 1 26 THR HB 1 27 SER H . . 2.980 2.475 2.286 2.624 . 0 0 "[ . 1 . 2]" 1
709 1 26 THR HB 1 28 GLU H . . 3.410 3.179 2.924 3.434 0.024 16 0 "[ . 1 . 2]" 1
710 1 26 THR HB 1 29 GLY H . . 4.020 3.111 2.804 3.746 . 0 0 "[ . 1 . 2]" 1
711 1 26 THR HG1 1 29 GLY H . . 3.480 2.414 1.952 3.363 . 0 0 "[ . 1 . 2]" 1
712 1 26 THR MG 1 27 SER H . . 4.580 3.833 3.776 3.940 . 0 0 "[ . 1 . 2]" 1
713 1 26 THR MG 1 28 GLU H . . 5.800 4.724 4.554 4.854 . 0 0 "[ . 1 . 2]" 1
714 1 26 THR MG 1 29 GLY H . . 5.260 4.111 3.937 4.242 . 0 0 "[ . 1 . 2]" 1
715 1 26 THR MG 1 39 LEU MD2 . . 8.060 4.759 4.371 5.002 . 0 0 "[ . 1 . 2]" 1
716 1 26 THR MG 1 40 LYS QE . . 7.900 4.920 3.542 5.585 . 0 0 "[ . 1 . 2]" 1
717 1 27 SER H 1 27 SER HB2 . . 3.050 2.523 2.211 3.040 . 0 0 "[ . 1 . 2]" 1
718 1 27 SER H 1 27 SER HB3 . . 3.550 3.561 3.482 3.632 0.082 16 0 "[ . 1 . 2]" 1
719 1 27 SER H 1 28 GLU H . . 3.050 2.396 2.184 2.534 . 0 0 "[ . 1 . 2]" 1
720 1 27 SER H 1 28 GLU HB2 . . 5.600 4.159 3.930 4.312 . 0 0 "[ . 1 . 2]" 1
721 1 27 SER H 1 29 GLY H . . 4.780 3.715 3.589 3.846 . 0 0 "[ . 1 . 2]" 1
722 1 27 SER H 1 39 LEU HB3 . . 6.000 4.808 4.280 5.427 . 0 0 "[ . 1 . 2]" 1
723 1 27 SER H 1 39 LEU MD2 . . 6.020 4.613 4.268 4.788 . 0 0 "[ . 1 . 2]" 1
724 1 27 SER HA 1 27 SER HB3 . . 2.870 2.493 2.278 2.684 . 0 0 "[ . 1 . 2]" 1
725 1 27 SER HA 1 29 GLY H . . 4.420 4.281 4.169 4.392 . 0 0 "[ . 1 . 2]" 1
726 1 27 SER HA 1 30 LEU H . . 4.380 3.270 3.146 3.452 . 0 0 "[ . 1 . 2]" 1
727 1 27 SER HA 1 30 LEU HB2 . . 4.920 2.587 2.359 2.909 . 0 0 "[ . 1 . 2]" 1
728 1 27 SER HA 1 30 LEU HB3 . . 5.420 3.772 3.577 4.129 . 0 0 "[ . 1 . 2]" 1
729 1 27 SER HA 1 30 LEU MD1 . . 5.300 3.190 2.872 3.485 . 0 0 "[ . 1 . 2]" 1
730 1 27 SER HA 1 30 LEU MD2 . . 6.200 4.797 4.514 5.121 . 0 0 "[ . 1 . 2]" 1
731 1 27 SER HA 1 30 LEU HG . . 6.000 5.262 4.913 5.621 . 0 0 "[ . 1 . 2]" 1
732 1 27 SER HA 1 31 ALA H . . 5.060 3.520 3.229 3.832 . 0 0 "[ . 1 . 2]" 1
733 1 27 SER HA 1 37 ASN HD21 . . 4.240 3.753 3.275 4.059 . 0 0 "[ . 1 . 2]" 1
734 1 27 SER HA 1 37 ASN QD . . 3.970 2.267 1.950 3.072 . 0 0 "[ . 1 . 2]" 1
735 1 27 SER HA 1 37 ASN HD22 . . 4.240 2.315 1.958 3.715 . 0 0 "[ . 1 . 2]" 1
736 1 27 SER HA 1 39 LEU H . . 4.450 3.642 3.300 4.116 . 0 0 "[ . 1 . 2]" 1
737 1 27 SER HA 1 39 LEU MD2 . . 6.060 3.908 3.193 4.303 . 0 0 "[ . 1 . 2]" 1
738 1 27 SER HB2 1 28 GLU H . . 3.370 2.557 2.363 2.798 . 0 0 "[ . 1 . 2]" 1
739 1 27 SER HB2 1 29 GLY H . . 6.000 4.906 4.760 5.047 . 0 0 "[ . 1 . 2]" 1
740 1 27 SER HB2 1 37 ASN QD . . 6.870 4.129 3.401 4.860 . 0 0 "[ . 1 . 2]" 1
741 1 27 SER HB2 1 39 LEU H . . 4.740 4.433 3.944 4.711 . 0 0 "[ . 1 . 2]" 1
742 1 27 SER HB2 1 39 LEU HB3 . . 6.000 5.313 5.110 5.559 . 0 0 "[ . 1 . 2]" 1
743 1 27 SER HB3 1 28 GLU H . . 4.090 3.642 3.241 4.107 0.017 4 0 "[ . 1 . 2]" 1
744 1 27 SER HB3 1 37 ASN QD . . 6.870 2.910 2.407 3.672 . 0 0 "[ . 1 . 2]" 1
745 1 27 SER HB3 1 39 LEU H . . 3.950 3.450 2.272 3.909 . 0 0 "[ . 1 . 2]" 1
746 1 27 SER HB3 1 39 LEU HB3 . . 6.000 4.615 3.700 5.154 . 0 0 "[ . 1 . 2]" 1
747 1 28 GLU H 1 28 GLU HB2 . . 2.940 2.023 2.018 2.053 . 0 0 "[ . 1 . 2]" 1
748 1 28 GLU H 1 28 GLU HB3 . . 3.260 3.189 3.137 3.242 . 0 0 "[ . 1 . 2]" 1
749 1 28 GLU H 1 28 GLU HG2 . . 4.270 3.728 3.518 4.177 . 0 0 "[ . 1 . 2]" 1
750 1 28 GLU H 1 28 GLU QG . . 3.810 3.396 3.307 3.477 . 0 0 "[ . 1 . 2]" 1
751 1 28 GLU H 1 28 GLU HG3 . . 4.270 3.980 3.466 4.179 . 0 0 "[ . 1 . 2]" 1
752 1 28 GLU H 1 29 GLY H . . 3.190 2.696 2.471 2.816 . 0 0 "[ . 1 . 2]" 1
753 1 28 GLU H 1 30 LEU H . . 5.140 4.105 3.985 4.235 . 0 0 "[ . 1 . 2]" 1
754 1 28 GLU H 1 31 ALA H . . 5.140 4.725 4.671 4.832 . 0 0 "[ . 1 . 2]" 1
755 1 28 GLU H 1 31 ALA MB . . 7.030 4.592 4.499 4.724 . 0 0 "[ . 1 . 2]" 1
756 1 28 GLU HA 1 28 GLU HB3 . . 2.900 2.912 2.877 2.941 0.041 15 0 "[ . 1 . 2]" 1
757 1 28 GLU HA 1 28 GLU HG2 . . 3.800 2.112 1.968 2.257 . 0 0 "[ . 1 . 2]" 1
758 1 28 GLU HA 1 28 GLU QG . . 3.280 2.086 1.950 2.232 . 0 0 "[ . 1 . 2]" 1
759 1 28 GLU HA 1 28 GLU HG3 . . 3.800 3.332 2.629 3.517 . 0 0 "[ . 1 . 2]" 1
760 1 28 GLU HA 1 30 LEU H . . 4.880 4.361 4.246 4.484 . 0 0 "[ . 1 . 2]" 1
761 1 28 GLU HA 1 31 ALA H . . 3.910 3.727 3.517 3.917 0.007 4 0 "[ . 1 . 2]" 1
762 1 28 GLU HA 1 31 ALA MB . . 3.790 2.786 2.641 2.904 . 0 0 "[ . 1 . 2]" 1
763 1 28 GLU HA 1 32 PHE H . . 4.670 4.224 4.147 4.315 . 0 0 "[ . 1 . 2]" 1
764 1 28 GLU HB2 1 29 GLY H . . 3.520 3.348 3.260 3.461 . 0 0 "[ . 1 . 2]" 1
765 1 28 GLU HB3 1 29 GLY H . . 3.880 3.069 2.914 3.340 . 0 0 "[ . 1 . 2]" 1
766 1 28 GLU QG 1 29 GLY H . . 5.230 4.603 4.516 4.665 . 0 0 "[ . 1 . 2]" 1
767 1 28 GLU HG2 1 29 GLY H . . 5.390 5.033 4.916 5.111 . 0 0 "[ . 1 . 2]" 1
768 1 28 GLU HG2 1 32 PHE QE . . 8.120 6.520 5.512 7.233 . 0 0 "[ . 1 . 2]" 1
769 1 28 GLU HG3 1 29 GLY H . . 5.390 5.332 5.207 5.406 0.016 20 0 "[ . 1 . 2]" 1
770 1 28 GLU HG3 1 32 PHE QE . . 8.120 6.585 6.209 7.088 . 0 0 "[ . 1 . 2]" 1
771 1 29 GLY H 1 29 GLY HA3 . . 2.940 2.257 2.250 2.267 . 0 0 "[ . 1 . 2]" 1
772 1 29 GLY H 1 30 LEU H . . 3.050 2.544 2.466 2.628 . 0 0 "[ . 1 . 2]" 1
773 1 29 GLY H 1 30 LEU HB2 . . 6.000 4.350 4.270 4.436 . 0 0 "[ . 1 . 2]" 1
774 1 29 GLY H 1 30 LEU HB3 . . 6.000 5.778 5.708 5.871 . 0 0 "[ . 1 . 2]" 1
775 1 29 GLY H 1 31 ALA H . . 4.450 4.322 4.217 4.446 . 0 0 "[ . 1 . 2]" 1
776 1 29 GLY H 1 31 ALA MB . . 7.030 4.937 4.833 5.021 . 0 0 "[ . 1 . 2]" 1
777 1 29 GLY H 1 32 PHE QB . . 6.880 4.345 4.261 4.402 . 0 0 "[ . 1 . 2]" 1
778 1 29 GLY HA2 1 31 ALA H . . 5.170 5.041 4.903 5.172 0.002 15 0 "[ . 1 . 2]" 1
779 1 29 GLY HA2 1 32 PHE H . . 4.740 3.670 3.584 3.751 . 0 0 "[ . 1 . 2]" 1
780 1 29 GLY HA2 1 32 PHE QD . . 8.120 2.324 2.096 2.769 . 0 0 "[ . 1 . 2]" 1
781 1 29 GLY HA2 1 32 PHE QE . . 8.120 4.520 4.358 4.745 . 0 0 "[ . 1 . 2]" 1
782 1 29 GLY HA2 1 33 TRP H . . 6.000 5.602 5.447 5.710 . 0 0 "[ . 1 . 2]" 1
783 1 29 GLY HA3 1 30 LEU H . . 3.550 2.944 2.880 3.002 . 0 0 "[ . 1 . 2]" 1
784 1 29 GLY HA3 1 31 ALA H . . 6.000 5.163 5.087 5.270 . 0 0 "[ . 1 . 2]" 1
785 1 29 GLY HA3 1 32 PHE H . . 5.210 4.599 4.528 4.681 . 0 0 "[ . 1 . 2]" 1
786 1 29 GLY HA3 1 32 PHE QD . . 8.120 4.022 3.783 4.433 . 0 0 "[ . 1 . 2]" 1
787 1 29 GLY HA3 1 32 PHE QE . . 8.120 6.007 5.815 6.255 . 0 0 "[ . 1 . 2]" 1
788 1 30 LEU H 1 30 LEU HB2 . . 2.980 2.040 2.019 2.054 . 0 0 "[ . 1 . 2]" 1
789 1 30 LEU H 1 30 LEU HB3 . . 3.340 3.301 3.270 3.326 . 0 0 "[ . 1 . 2]" 1
790 1 30 LEU H 1 30 LEU MD1 . . 5.010 3.285 3.136 3.477 . 0 0 "[ . 1 . 2]" 1
791 1 30 LEU H 1 30 LEU MD2 . . 5.410 4.398 4.354 4.419 . 0 0 "[ . 1 . 2]" 1
792 1 30 LEU H 1 30 LEU HG . . 3.730 3.617 3.507 3.693 . 0 0 "[ . 1 . 2]" 1
793 1 30 LEU H 1 31 ALA H . . 3.160 2.627 2.565 2.687 . 0 0 "[ . 1 . 2]" 1
794 1 30 LEU H 1 32 PHE H . . 4.270 3.561 3.508 3.616 . 0 0 "[ . 1 . 2]" 1
795 1 30 LEU H 1 37 ASN QD . . 5.680 3.702 3.473 4.440 . 0 0 "[ . 1 . 2]" 1
796 1 30 LEU H 1 39 LEU MD2 . . 6.810 5.164 4.780 5.516 . 0 0 "[ . 1 . 2]" 1
797 1 30 LEU HA 1 30 LEU MD1 . . 4.260 3.520 3.399 3.660 . 0 0 "[ . 1 . 2]" 1
798 1 30 LEU HA 1 30 LEU MD2 . . 3.900 2.941 2.673 3.128 . 0 0 "[ . 1 . 2]" 1
799 1 30 LEU HA 1 30 LEU HG . . 4.240 2.142 2.092 2.240 . 0 0 "[ . 1 . 2]" 1
800 1 30 LEU HA 1 32 PHE H . . 4.630 3.672 3.624 3.721 . 0 0 "[ . 1 . 2]" 1
801 1 30 LEU HA 1 33 TRP H . . 4.810 3.719 3.604 3.787 . 0 0 "[ . 1 . 2]" 1
802 1 30 LEU HA 1 33 TRP HD1 . . 3.770 3.196 2.972 3.455 . 0 0 "[ . 1 . 2]" 1
803 1 30 LEU HA 1 33 TRP HE1 . . 3.160 2.103 1.981 2.268 . 0 0 "[ . 1 . 2]" 1
804 1 30 LEU HA 1 33 TRP HZ2 . . 6.000 3.821 3.612 4.021 . 0 0 "[ . 1 . 2]" 1
805 1 30 LEU HA 1 34 PHE H . . 4.380 3.469 3.403 3.532 . 0 0 "[ . 1 . 2]" 1
806 1 30 LEU HA 1 35 MET H . . 5.530 4.905 4.841 5.050 . 0 0 "[ . 1 . 2]" 1
807 1 30 LEU HB2 1 31 ALA H . . 3.660 2.848 2.770 2.935 . 0 0 "[ . 1 . 2]" 1
808 1 30 LEU HB2 1 34 PHE QD . . 8.120 3.922 3.687 4.132 . 0 0 "[ . 1 . 2]" 1
809 1 30 LEU HB2 1 35 MET H . . 6.000 5.124 4.969 5.288 . 0 0 "[ . 1 . 2]" 1
810 1 30 LEU HB2 1 37 ASN HD21 . . 4.340 4.263 3.997 4.354 0.014 16 0 "[ . 1 . 2]" 1
811 1 30 LEU HB2 1 37 ASN QD . . 3.970 2.680 2.427 3.466 . 0 0 "[ . 1 . 2]" 1
812 1 30 LEU HB2 1 37 ASN HD22 . . 4.340 2.714 2.447 3.643 . 0 0 "[ . 1 . 2]" 1
813 1 30 LEU HB3 1 31 ALA H . . 3.520 2.854 2.786 2.940 . 0 0 "[ . 1 . 2]" 1
814 1 30 LEU HB3 1 34 PHE HB2 . . 6.000 3.898 3.714 4.157 . 0 0 "[ . 1 . 2]" 1
815 1 30 LEU HB3 1 34 PHE HB3 . . 5.780 2.745 2.563 2.902 . 0 0 "[ . 1 . 2]" 1
816 1 30 LEU HB3 1 34 PHE QD . . 7.260 2.287 2.102 2.490 . 0 0 "[ . 1 . 2]" 1
817 1 30 LEU HB3 1 37 ASN HD21 . . 5.420 3.723 3.332 4.201 . 0 0 "[ . 1 . 2]" 1
818 1 30 LEU HB3 1 37 ASN QD . . 4.720 2.619 2.362 2.858 . 0 0 "[ . 1 . 2]" 1
819 1 30 LEU HB3 1 37 ASN HD22 . . 5.420 2.678 2.408 2.916 . 0 0 "[ . 1 . 2]" 1
820 1 30 LEU MD1 1 31 ALA H . . 7.030 4.490 4.427 4.574 . 0 0 "[ . 1 . 2]" 1
821 1 30 LEU MD1 1 33 TRP HE1 . . 5.480 4.237 4.013 4.552 . 0 0 "[ . 1 . 2]" 1
822 1 30 LEU MD1 1 33 TRP HZ2 . . 5.080 4.108 3.869 4.228 . 0 0 "[ . 1 . 2]" 1
823 1 30 LEU MD1 1 34 PHE HB3 . . 5.800 4.838 4.778 4.885 . 0 0 "[ . 1 . 2]" 1
824 1 30 LEU MD1 1 34 PHE QD . . 7.930 4.092 3.731 4.363 . 0 0 "[ . 1 . 2]" 1
825 1 30 LEU MD1 1 37 ASN QD . . 7.140 3.690 3.449 4.108 . 0 0 "[ . 1 . 2]" 1
826 1 30 LEU MD1 1 39 LEU HB2 . . 5.340 3.947 3.505 4.229 . 0 0 "[ . 1 . 2]" 1
827 1 30 LEU MD1 1 39 LEU MD1 . . 5.680 3.265 2.471 3.600 . 0 0 "[ . 1 . 2]" 1
828 1 30 LEU MD1 1 39 LEU MD2 . . 5.900 1.908 1.678 2.106 . 0 0 "[ . 1 . 2]" 1
829 1 30 LEU MD1 1 47 PHE QE . . 9.150 5.562 5.185 5.915 . 0 0 "[ . 1 . 2]" 1
830 1 30 LEU MD1 1 71 PHE QE . . 9.150 5.643 5.181 5.884 . 0 0 "[ . 1 . 2]" 1
831 1 30 LEU MD1 1 82 PHE QE . . 9.150 4.303 3.904 4.639 . 0 0 "[ . 1 . 2]" 1
832 1 30 LEU MD1 1 82 PHE HZ . . 7.030 5.719 5.548 5.773 . 0 0 "[ . 1 . 2]" 1
833 1 30 LEU MD2 1 31 ALA H . . 6.700 4.463 4.389 4.572 . 0 0 "[ . 1 . 2]" 1
834 1 30 LEU MD2 1 33 TRP HE1 . . 4.800 3.568 3.059 3.926 . 0 0 "[ . 1 . 2]" 1
835 1 30 LEU MD2 1 33 TRP HZ2 . . 4.330 2.388 2.142 2.788 . 0 0 "[ . 1 . 2]" 1
836 1 30 LEU MD2 1 34 PHE HB3 . . 6.780 2.562 2.356 2.790 . 0 0 "[ . 1 . 2]" 1
837 1 30 LEU MD2 1 34 PHE QD . . 7.460 2.221 1.977 2.469 . 0 0 "[ . 1 . 2]" 1
838 1 30 LEU MD2 1 35 MET H . . 5.050 3.904 3.726 4.054 . 0 0 "[ . 1 . 2]" 1
839 1 30 LEU MD2 1 37 ASN QD . . 7.210 3.876 3.622 4.096 . 0 0 "[ . 1 . 2]" 1
840 1 30 LEU MD2 1 39 LEU HB2 . . 6.270 4.918 4.680 5.062 . 0 0 "[ . 1 . 2]" 1
841 1 30 LEU MD2 1 39 LEU MD1 . . 8.060 3.853 3.458 4.109 . 0 0 "[ . 1 . 2]" 1
842 1 30 LEU MD2 1 39 LEU MD2 . . 7.300 3.450 3.067 3.867 . 0 0 "[ . 1 . 2]" 1
843 1 30 LEU MD2 1 71 PHE QE . . 8.680 4.140 3.578 4.443 . 0 0 "[ . 1 . 2]" 1
844 1 30 LEU MD2 1 82 PHE QE . . 7.530 2.930 2.320 3.327 . 0 0 "[ . 1 . 2]" 1
845 1 30 LEU MD2 1 82 PHE HZ . . 5.160 3.625 3.524 3.787 . 0 0 "[ . 1 . 2]" 1
846 1 30 LEU HG 1 31 ALA H . . 6.000 4.911 4.876 4.948 . 0 0 "[ . 1 . 2]" 1
847 1 30 LEU HG 1 34 PHE QD . . 6.610 4.597 4.206 4.915 . 0 0 "[ . 1 . 2]" 1
848 1 30 LEU HG 1 39 LEU MD2 . . 7.030 4.368 3.932 4.634 . 0 0 "[ . 1 . 2]" 1
849 1 31 ALA H 1 31 ALA MB . . 3.430 2.119 2.059 2.156 . 0 0 "[ . 1 . 2]" 1
850 1 31 ALA H 1 32 PHE H . . 2.900 2.717 2.668 2.781 . 0 0 "[ . 1 . 2]" 1
851 1 31 ALA H 1 37 ASN QD . . 3.990 2.378 2.053 2.696 . 0 0 "[ . 1 . 2]" 1
852 1 31 ALA HA 1 34 PHE H . . 4.380 3.637 3.581 3.701 . 0 0 "[ . 1 . 2]" 1
853 1 31 ALA HA 1 35 MET H . . 3.590 1.962 1.938 2.051 . 0 0 "[ . 1 . 2]" 1
854 1 31 ALA HA 1 36 GLU HA . . 3.620 3.649 3.624 3.665 0.045 17 0 "[ . 1 . 2]" 1
855 1 31 ALA HA 1 37 ASN H . . 6.000 5.072 4.848 5.207 . 0 0 "[ . 1 . 2]" 1
856 1 31 ALA HA 1 37 ASN HD21 . . 4.920 3.646 3.352 4.646 . 0 0 "[ . 1 . 2]" 1
857 1 31 ALA HA 1 37 ASN QD . . 4.630 3.320 3.103 3.521 . 0 0 "[ . 1 . 2]" 1
858 1 31 ALA HA 1 37 ASN HD22 . . 4.920 3.904 3.206 4.116 . 0 0 "[ . 1 . 2]" 1
859 1 31 ALA MB 1 32 PHE H . . 3.860 3.037 2.954 3.108 . 0 0 "[ . 1 . 2]" 1
860 1 31 ALA MB 1 32 PHE HA . . 5.230 3.915 3.861 3.955 . 0 0 "[ . 1 . 2]" 1
861 1 31 ALA MB 1 35 MET H . . 7.030 3.510 3.477 3.562 . 0 0 "[ . 1 . 2]" 1
862 1 31 ALA MB 1 36 GLU H . . 5.730 2.981 2.817 3.302 . 0 0 "[ . 1 . 2]" 1
863 1 31 ALA MB 1 36 GLU HA . . 3.640 1.805 1.769 1.866 . 0 0 "[ . 1 . 2]" 1
864 1 31 ALA MB 1 36 GLU HB2 . . 7.030 4.024 3.867 4.147 . 0 0 "[ . 1 . 2]" 1
865 1 31 ALA MB 1 36 GLU HB3 . . 5.440 3.883 3.785 3.978 . 0 0 "[ . 1 . 2]" 1
866 1 31 ALA MB 1 36 GLU HG2 . . 5.950 2.276 2.145 2.450 . 0 0 "[ . 1 . 2]" 1
867 1 31 ALA MB 1 36 GLU QG . . 5.370 2.253 2.126 2.424 . 0 0 "[ . 1 . 2]" 1
868 1 31 ALA MB 1 36 GLU HG3 . . 5.950 3.626 3.344 3.902 . 0 0 "[ . 1 . 2]" 1
869 1 31 ALA MB 1 37 ASN H . . 3.820 2.834 2.692 2.985 . 0 0 "[ . 1 . 2]" 1
870 1 31 ALA MB 1 37 ASN HA . . 7.030 4.997 4.854 5.151 . 0 0 "[ . 1 . 2]" 1
871 1 31 ALA MB 1 37 ASN HD21 . . 3.900 2.409 2.138 2.887 . 0 0 "[ . 1 . 2]" 1
872 1 31 ALA MB 1 37 ASN HD22 . . 3.900 2.696 2.368 2.857 . 0 0 "[ . 1 . 2]" 1
873 1 32 PHE H 1 32 PHE HB2 . . 3.230 1.920 1.908 1.937 . 0 0 "[ . 1 . 2]" 1
874 1 32 PHE H 1 32 PHE QB . . 2.870 1.895 1.885 1.908 . 0 0 "[ . 1 . 2]" 1
875 1 32 PHE H 1 32 PHE HB3 . . 3.230 2.910 2.874 2.941 . 0 0 "[ . 1 . 2]" 1
876 1 32 PHE H 1 33 TRP H . . 2.900 2.661 2.619 2.709 . 0 0 "[ . 1 . 2]" 1
877 1 32 PHE HA 1 32 PHE HB2 . . 3.050 2.799 2.787 2.824 . 0 0 "[ . 1 . 2]" 1
878 1 32 PHE HA 1 32 PHE HB3 . . 3.050 3.007 2.990 3.013 . 0 0 "[ . 1 . 2]" 1
879 1 32 PHE QB 1 33 TRP HA . . 6.560 4.260 4.180 4.294 . 0 0 "[ . 1 . 2]" 1
880 1 32 PHE QB 1 34 PHE H . . 5.660 4.457 4.422 4.516 . 0 0 "[ . 1 . 2]" 1
881 1 32 PHE HB2 1 33 TRP H . . 3.880 3.639 3.561 3.693 . 0 0 "[ . 1 . 2]" 1
882 1 32 PHE HB2 1 33 TRP HD1 . . 6.000 3.540 3.428 3.675 . 0 0 "[ . 1 . 2]" 1
883 1 32 PHE HB3 1 33 TRP H . . 3.880 3.139 2.996 3.261 . 0 0 "[ . 1 . 2]" 1
884 1 32 PHE HB3 1 33 TRP HD1 . . 6.000 2.498 2.308 2.715 . 0 0 "[ . 1 . 2]" 1
885 1 32 PHE QD 1 33 TRP H . . 6.650 4.549 4.482 4.646 . 0 0 "[ . 1 . 2]" 1
886 1 33 TRP H 1 33 TRP HD1 . . 5.600 2.858 2.705 3.034 . 0 0 "[ . 1 . 2]" 1
887 1 33 TRP H 1 34 PHE H . . 2.620 1.915 1.904 1.947 . 0 0 "[ . 1 . 2]" 1
888 1 33 TRP H 1 34 PHE HB3 . . 4.960 3.588 3.530 3.631 . 0 0 "[ . 1 . 2]" 1
889 1 33 TRP HA 1 33 TRP HE3 . . 4.920 4.362 4.280 4.447 . 0 0 "[ . 1 . 2]" 1
890 1 33 TRP HB2 1 34 PHE H . . 6.000 3.631 3.599 3.670 . 0 0 "[ . 1 . 2]" 1
891 1 33 TRP HB3 1 34 PHE H . . 6.000 3.936 3.901 3.964 . 0 0 "[ . 1 . 2]" 1
892 1 33 TRP HD1 1 34 PHE H . . 4.850 3.547 3.421 3.713 . 0 0 "[ . 1 . 2]" 1
893 1 33 TRP HE3 1 34 PHE H . . 4.130 3.659 3.477 3.790 . 0 0 "[ . 1 . 2]" 1
894 1 33 TRP HH2 1 34 PHE H . . 6.000 5.596 5.470 5.683 . 0 0 "[ . 1 . 2]" 1
895 1 33 TRP HZ2 1 34 PHE H . . 6.000 4.985 4.928 5.039 . 0 0 "[ . 1 . 2]" 1
896 1 33 TRP HZ2 1 82 PHE HZ . . 4.520 4.277 3.876 4.521 0.001 2 0 "[ . 1 . 2]" 1
897 1 33 TRP HZ3 1 34 PHE QD . . 8.120 4.583 4.053 4.871 . 0 0 "[ . 1 . 2]" 1
898 1 34 PHE H 1 34 PHE HB2 . . 3.590 2.589 2.553 2.638 . 0 0 "[ . 1 . 2]" 1
899 1 34 PHE H 1 34 PHE HB3 . . 3.340 2.138 2.112 2.165 . 0 0 "[ . 1 . 2]" 1
900 1 34 PHE H 1 35 MET H . . 3.410 3.263 3.222 3.339 . 0 0 "[ . 1 . 2]" 1
901 1 34 PHE HB2 1 35 MET H . . 3.370 3.377 3.353 3.390 0.020 12 0 "[ . 1 . 2]" 1
902 1 34 PHE HB3 1 35 MET H . . 2.870 1.953 1.922 1.992 . 0 0 "[ . 1 . 2]" 1
903 1 34 PHE QD 1 35 MET ME . . 9.150 3.506 3.071 3.822 . 0 0 "[ . 1 . 2]" 1
904 1 34 PHE QD 1 49 LEU MD2 . . 9.150 4.703 4.163 5.141 . 0 0 "[ . 1 . 2]" 1
905 1 34 PHE QE 1 35 MET ME . . 7.820 2.461 1.981 2.872 . 0 0 "[ . 1 . 2]" 1
906 1 34 PHE QE 1 49 LEU MD1 . . 6.700 2.052 1.836 2.358 . 0 0 "[ . 1 . 2]" 1
907 1 34 PHE QE 1 49 LEU MD2 . . 7.280 3.150 2.777 3.647 . 0 0 "[ . 1 . 2]" 1
908 1 34 PHE HZ 1 35 MET ME . . 5.010 3.256 2.925 3.722 . 0 0 "[ . 1 . 2]" 1
909 1 34 PHE HZ 1 49 LEU MD1 . . 4.290 2.101 1.905 2.455 . 0 0 "[ . 1 . 2]" 1
910 1 34 PHE HZ 1 49 LEU MD2 . . 6.200 2.330 1.929 2.997 . 0 0 "[ . 1 . 2]" 1
911 1 34 PHE HZ 1 49 LEU HG . . 4.700 4.337 3.951 4.708 0.008 11 0 "[ . 1 . 2]" 1
912 1 34 PHE HZ 1 73 TRP HZ3 . . 5.530 4.802 4.158 5.475 . 0 0 "[ . 1 . 2]" 1
913 1 35 MET H 1 35 MET HB2 . . 3.620 2.989 2.935 3.038 . 0 0 "[ . 1 . 2]" 1
914 1 35 MET H 1 35 MET ME . . 6.740 4.646 4.330 4.823 . 0 0 "[ . 1 . 2]" 1
915 1 35 MET H 1 35 MET HG2 . . 5.100 4.884 4.437 5.115 0.015 10 0 "[ . 1 . 2]" 1
916 1 35 MET H 1 35 MET QG . . 4.970 3.969 3.860 4.026 . 0 0 "[ . 1 . 2]" 1
917 1 35 MET H 1 35 MET HG3 . . 5.100 4.225 4.123 4.438 . 0 0 "[ . 1 . 2]" 1
918 1 35 MET H 1 36 GLU H . . 4.490 4.342 4.321 4.365 . 0 0 "[ . 1 . 2]" 1
919 1 35 MET H 1 49 LEU MD1 . . 7.030 4.173 3.904 4.505 . 0 0 "[ . 1 . 2]" 1
920 1 35 MET HA 1 35 MET ME . . 5.260 4.277 4.114 4.336 . 0 0 "[ . 1 . 2]" 1
921 1 35 MET HA 1 35 MET QG . . 3.820 2.074 2.016 2.193 . 0 0 "[ . 1 . 2]" 1
922 1 35 MET HA 1 36 GLU H . . 2.620 2.497 2.459 2.541 . 0 0 "[ . 1 . 2]" 1
923 1 35 MET HB2 1 35 MET ME . . 4.290 2.116 1.906 2.297 . 0 0 "[ . 1 . 2]" 1
924 1 35 MET HB2 1 36 GLU H . . 4.090 4.011 3.937 4.111 0.021 5 0 "[ . 1 . 2]" 1
925 1 35 MET HB2 1 49 LEU MD1 . . 5.010 2.994 2.383 3.650 . 0 0 "[ . 1 . 2]" 1
926 1 35 MET HB2 1 49 LEU MD2 . . 7.030 3.542 2.895 4.419 . 0 0 "[ . 1 . 2]" 1
927 1 35 MET HB3 1 35 MET ME . . 4.540 2.496 2.281 2.787 . 0 0 "[ . 1 . 2]" 1
928 1 35 MET HB3 1 36 GLU H . . 3.620 2.659 2.541 2.849 . 0 0 "[ . 1 . 2]" 1
929 1 35 MET HB3 1 49 LEU MD1 . . 5.550 2.689 2.006 3.249 . 0 0 "[ . 1 . 2]" 1
930 1 35 MET HB3 1 51 SER HA . . 5.210 4.018 3.596 4.568 . 0 0 "[ . 1 . 2]" 1
931 1 35 MET ME 1 36 GLU H . . 7.030 4.711 4.556 4.855 . 0 0 "[ . 1 . 2]" 1
932 1 35 MET ME 1 49 LEU MD1 . . 7.550 3.019 2.407 3.818 . 0 0 "[ . 1 . 2]" 1
933 1 35 MET ME 1 49 LEU MD2 . . 6.830 2.122 1.727 2.620 . 0 0 "[ . 1 . 2]" 1
934 1 35 MET ME 1 51 SER H . . 5.800 4.531 3.937 4.706 . 0 0 "[ . 1 . 2]" 1
935 1 35 MET ME 1 51 SER HA . . 5.440 3.150 2.800 3.509 . 0 0 "[ . 1 . 2]" 1
936 1 35 MET ME 1 51 SER QB . . 6.360 2.317 1.911 3.094 . 0 0 "[ . 1 . 2]" 1
937 1 35 MET ME 1 52 PRO HD2 . . 5.260 3.421 2.817 4.033 . 0 0 "[ . 1 . 2]" 1
938 1 35 MET ME 1 52 PRO QD . . 4.790 3.034 2.536 3.280 . 0 0 "[ . 1 . 2]" 1
939 1 35 MET ME 1 52 PRO HD3 . . 5.260 3.413 2.879 3.775 . 0 0 "[ . 1 . 2]" 1
940 1 35 MET ME 1 73 TRP HE1 . . 7.030 4.251 3.934 4.610 . 0 0 "[ . 1 . 2]" 1
941 1 35 MET ME 1 73 TRP HH2 . . 6.090 2.339 1.881 2.753 . 0 0 "[ . 1 . 2]" 1
942 1 35 MET ME 1 73 TRP HZ2 . . 4.440 2.461 1.979 2.882 . 0 0 "[ . 1 . 2]" 1
943 1 35 MET ME 1 73 TRP HZ3 . . 4.690 3.691 3.245 3.959 . 0 0 "[ . 1 . 2]" 1
944 1 35 MET QG 1 36 GLU H . . 5.530 3.082 2.705 3.271 . 0 0 "[ . 1 . 2]" 1
945 1 35 MET QG 1 73 TRP HZ2 . . 6.590 5.550 4.908 5.807 . 0 0 "[ . 1 . 2]" 1
946 1 35 MET HG2 1 36 GLU H . . 6.000 3.305 2.742 3.651 . 0 0 "[ . 1 . 2]" 1
947 1 35 MET HG2 1 49 LEU MD1 . . 7.030 4.723 3.859 5.519 . 0 0 "[ . 1 . 2]" 1
948 1 35 MET HG3 1 36 GLU H . . 6.000 3.925 3.520 4.546 . 0 0 "[ . 1 . 2]" 1
949 1 35 MET HG3 1 49 LEU MD1 . . 7.030 5.070 4.366 5.630 . 0 0 "[ . 1 . 2]" 1
950 1 36 GLU H 1 36 GLU HB2 . . 3.050 2.324 2.197 2.501 . 0 0 "[ . 1 . 2]" 1
951 1 36 GLU H 1 36 GLU HB3 . . 3.590 3.522 3.477 3.550 . 0 0 "[ . 1 . 2]" 1
952 1 36 GLU H 1 36 GLU HG2 . . 3.120 2.878 2.641 3.115 . 0 0 "[ . 1 . 2]" 1
953 1 36 GLU H 1 36 GLU HG3 . . 3.120 2.827 2.375 3.131 0.011 16 0 "[ . 1 . 2]" 1
954 1 36 GLU H 1 37 ASN H . . 4.880 4.630 4.588 4.651 . 0 0 "[ . 1 . 2]" 1
955 1 36 GLU H 1 49 LEU MD1 . . 7.030 4.251 3.568 4.945 . 0 0 "[ . 1 . 2]" 1
956 1 36 GLU H 1 50 GLN H . . 4.450 4.438 4.378 4.468 0.018 16 0 "[ . 1 . 2]" 1
957 1 36 GLU H 1 50 GLN HB2 . . 6.000 4.190 3.164 4.495 . 0 0 "[ . 1 . 2]" 1
958 1 36 GLU H 1 50 GLN HB3 . . 6.000 5.455 4.510 5.998 . 0 0 "[ . 1 . 2]" 1
959 1 36 GLU HA 1 36 GLU HG2 . . 3.700 2.193 2.099 2.323 . 0 0 "[ . 1 . 2]" 1
960 1 36 GLU HA 1 36 GLU QG . . 3.520 2.169 2.080 2.289 . 0 0 "[ . 1 . 2]" 1
961 1 36 GLU HA 1 36 GLU HG3 . . 3.700 3.437 3.316 3.553 . 0 0 "[ . 1 . 2]" 1
962 1 36 GLU HA 1 37 ASN H . . 2.470 2.264 2.223 2.298 . 0 0 "[ . 1 . 2]" 1
963 1 36 GLU HA 1 37 ASN HD21 . . 4.810 2.935 2.697 3.870 . 0 0 "[ . 1 . 2]" 1
964 1 36 GLU HA 1 37 ASN QD . . 4.430 2.857 2.654 3.390 . 0 0 "[ . 1 . 2]" 1
965 1 36 GLU HA 1 37 ASN HD22 . . 4.810 4.078 3.747 4.445 . 0 0 "[ . 1 . 2]" 1
966 1 36 GLU HB2 1 37 ASN H . . 4.310 4.265 4.156 4.327 0.017 11 0 "[ . 1 . 2]" 1
967 1 36 GLU HB3 1 37 ASN H . . 3.440 3.166 3.024 3.331 . 0 0 "[ . 1 . 2]" 1
968 1 36 GLU QG 1 37 ASN H . . 5.300 4.023 3.850 4.227 . 0 0 "[ . 1 . 2]" 1
969 1 36 GLU HG2 1 37 ASN H . . 5.600 4.172 3.976 4.408 . 0 0 "[ . 1 . 2]" 1
970 1 36 GLU HG3 1 37 ASN H . . 5.600 5.284 5.148 5.433 . 0 0 "[ . 1 . 2]" 1
971 1 37 ASN H 1 37 ASN HB2 . . 4.090 3.972 3.855 4.063 . 0 0 "[ . 1 . 2]" 1
972 1 37 ASN H 1 37 ASN HB3 . . 4.090 3.484 3.386 3.930 . 0 0 "[ . 1 . 2]" 1
973 1 37 ASN H 1 37 ASN HD21 . . 3.700 2.374 1.981 2.877 . 0 0 "[ . 1 . 2]" 1
974 1 37 ASN H 1 37 ASN QD . . 3.490 2.326 1.965 2.776 . 0 0 "[ . 1 . 2]" 1
975 1 37 ASN H 1 37 ASN HD22 . . 3.700 3.396 3.196 3.692 . 0 0 "[ . 1 . 2]" 1
976 1 37 ASN H 1 38 ASP H . . 4.450 4.340 4.323 4.363 . 0 0 "[ . 1 . 2]" 1
977 1 37 ASN H 1 49 LEU MD1 . . 6.240 4.393 4.049 5.031 . 0 0 "[ . 1 . 2]" 1
978 1 37 ASN HA 1 38 ASP H . . 3.480 2.739 2.669 2.811 . 0 0 "[ . 1 . 2]" 1
979 1 37 ASN HA 1 39 LEU H . . 5.140 4.379 4.187 4.614 . 0 0 "[ . 1 . 2]" 1
980 1 37 ASN HA 1 49 LEU HA . . 3.770 2.673 2.423 3.344 . 0 0 "[ . 1 . 2]" 1
981 1 37 ASN HA 1 49 LEU MD1 . . 5.550 3.068 2.394 3.984 . 0 0 "[ . 1 . 2]" 1
982 1 37 ASN HA 1 50 GLN H . . 4.880 3.560 3.077 4.003 . 0 0 "[ . 1 . 2]" 1
983 1 37 ASN QB 1 38 ASP H . . 3.610 2.075 1.967 2.218 . 0 0 "[ . 1 . 2]" 1
984 1 37 ASN QB 1 39 LEU H . . 4.080 2.661 2.364 2.846 . 0 0 "[ . 1 . 2]" 1
985 1 37 ASN QB 1 49 LEU HA . . 6.880 3.262 2.157 3.690 . 0 0 "[ . 1 . 2]" 1
986 1 37 ASN QB 1 49 LEU MD1 . . 4.180 1.927 1.757 2.183 . 0 0 "[ . 1 . 2]" 1
987 1 37 ASN QB 1 50 GLN H . . 6.660 4.312 3.383 4.813 . 0 0 "[ . 1 . 2]" 1
988 1 37 ASN HB2 1 38 ASP H . . 3.840 2.088 1.977 2.235 . 0 0 "[ . 1 . 2]" 1
989 1 37 ASN HB2 1 39 LEU H . . 4.630 2.697 2.384 2.894 . 0 0 "[ . 1 . 2]" 1
990 1 37 ASN HB2 1 49 LEU MD1 . . 4.360 2.945 2.356 3.373 . 0 0 "[ . 1 . 2]" 1
991 1 37 ASN HB3 1 38 ASP H . . 3.840 3.590 3.095 3.730 . 0 0 "[ . 1 . 2]" 1
992 1 37 ASN HB3 1 39 LEU H . . 4.630 4.099 3.884 4.204 . 0 0 "[ . 1 . 2]" 1
993 1 37 ASN HB3 1 49 LEU MD1 . . 4.360 1.956 1.812 2.211 . 0 0 "[ . 1 . 2]" 1
994 1 37 ASN QD 1 49 LEU MD1 . . 7.900 3.461 3.196 3.885 . 0 0 "[ . 1 . 2]" 1
995 1 38 ASP H 1 38 ASP QB . . 3.870 2.486 2.353 2.706 . 0 0 "[ . 1 . 2]" 1
996 1 38 ASP H 1 39 LEU H . . 3.590 2.385 2.070 2.601 . 0 0 "[ . 1 . 2]" 1
997 1 38 ASP H 1 47 PHE HB2 . . 5.030 2.336 1.997 2.701 . 0 0 "[ . 1 . 2]" 1
998 1 38 ASP H 1 47 PHE QD . . 6.470 2.252 1.951 3.038 . 0 0 "[ . 1 . 2]" 1
999 1 38 ASP H 1 47 PHE QE . . 8.090 4.347 3.789 5.217 . 0 0 "[ . 1 . 2]" 1
1000 1 38 ASP H 1 48 HIS H . . 4.130 4.020 3.645 4.129 . 0 0 "[ . 1 . 2]" 1
1001 1 38 ASP H 1 49 LEU HA . . 5.530 4.613 4.372 4.886 . 0 0 "[ . 1 . 2]" 1
1002 1 38 ASP HB2 1 39 LEU H . . 6.000 4.306 3.950 4.606 . 0 0 "[ . 1 . 2]" 1
1003 1 38 ASP HB3 1 39 LEU H . . 6.000 4.202 3.931 4.570 . 0 0 "[ . 1 . 2]" 1
1004 1 39 LEU H 1 39 LEU HB2 . . 3.080 2.464 2.239 2.706 . 0 0 "[ . 1 . 2]" 1
1005 1 39 LEU H 1 39 LEU HB3 . . 2.980 2.436 2.191 2.661 . 0 0 "[ . 1 . 2]" 1
1006 1 39 LEU H 1 39 LEU MD1 . . 5.440 4.142 3.826 4.311 . 0 0 "[ . 1 . 2]" 1
1007 1 39 LEU H 1 39 LEU MD2 . . 5.190 4.095 3.725 4.295 . 0 0 "[ . 1 . 2]" 1
1008 1 39 LEU H 1 39 LEU HG . . 5.280 4.390 4.361 4.408 . 0 0 "[ . 1 . 2]" 1
1009 1 39 LEU H 1 40 LYS H . . 5.350 4.658 4.647 4.672 . 0 0 "[ . 1 . 2]" 1
1010 1 39 LEU H 1 47 PHE QD . . 8.010 3.408 2.945 3.802 . 0 0 "[ . 1 . 2]" 1
1011 1 39 LEU HA 1 39 LEU HG . . 3.840 2.528 2.408 2.786 . 0 0 "[ . 1 . 2]" 1
1012 1 39 LEU HA 1 40 LYS H . . 2.760 2.342 2.283 2.379 . 0 0 "[ . 1 . 2]" 1
1013 1 39 LEU HA 1 45 HIS HD2 . . 4.490 2.614 2.259 3.119 . 0 0 "[ . 1 . 2]" 1
1014 1 39 LEU HB2 1 40 LYS H . . 4.960 4.025 3.823 4.197 . 0 0 "[ . 1 . 2]" 1
1015 1 39 LEU HB3 1 40 LYS H . . 5.140 3.914 3.686 4.168 . 0 0 "[ . 1 . 2]" 1
1016 1 39 LEU MD1 1 40 LYS H . . 4.330 3.584 3.426 3.655 . 0 0 "[ . 1 . 2]" 1
1017 1 39 LEU MD1 1 40 LYS HA . . 7.030 5.393 5.111 5.595 . 0 0 "[ . 1 . 2]" 1
1018 1 39 LEU MD1 1 41 ALA H . . 7.030 3.618 3.258 5.286 . 0 0 "[ . 1 . 2]" 1
1019 1 39 LEU MD1 1 41 ALA HA . . 5.730 3.792 3.384 4.645 . 0 0 "[ . 1 . 2]" 1
1020 1 39 LEU MD1 1 41 ALA MB . . 7.950 4.578 4.201 4.981 . 0 0 "[ . 1 . 2]" 1
1021 1 39 LEU MD1 1 45 HIS HD2 . . 5.910 4.134 3.273 4.473 . 0 0 "[ . 1 . 2]" 1
1022 1 39 LEU MD1 1 47 PHE QE . . 9.150 2.790 2.325 3.174 . 0 0 "[ . 1 . 2]" 1
1023 1 39 LEU MD1 1 47 PHE HZ . . 4.980 3.054 2.625 3.570 . 0 0 "[ . 1 . 2]" 1
1024 1 39 LEU MD1 1 60 VAL MG2 . . 5.430 1.936 1.754 2.241 . 0 0 "[ . 1 . 2]" 1
1025 1 39 LEU MD1 1 69 LEU MD1 . . 6.150 3.487 3.241 3.813 . 0 0 "[ . 1 . 2]" 1
1026 1 39 LEU MD1 1 69 LEU MD2 . . 6.220 3.870 3.208 4.079 . 0 0 "[ . 1 . 2]" 1
1027 1 39 LEU MD1 1 71 PHE HB3 . . 6.960 3.104 2.922 3.333 . 0 0 "[ . 1 . 2]" 1
1028 1 39 LEU MD1 1 71 PHE QD . . 8.000 3.859 3.644 4.101 . 0 0 "[ . 1 . 2]" 1
1029 1 39 LEU MD2 1 40 LYS H . . 4.510 3.185 2.871 3.687 . 0 0 "[ . 1 . 2]" 1
1030 1 39 LEU MD2 1 40 LYS HA . . 5.190 3.456 2.975 4.112 . 0 0 "[ . 1 . 2]" 1
1031 1 39 LEU MD2 1 41 ALA H . . 5.300 2.164 1.859 3.418 . 0 0 "[ . 1 . 2]" 1
1032 1 39 LEU MD2 1 41 ALA HA . . 5.480 2.860 2.457 3.769 . 0 0 "[ . 1 . 2]" 1
1033 1 39 LEU MD2 1 41 ALA MB . . 6.470 3.024 2.673 3.497 . 0 0 "[ . 1 . 2]" 1
1034 1 39 LEU MD2 1 60 VAL MG2 . . 8.060 3.691 3.378 3.947 . 0 0 "[ . 1 . 2]" 1
1035 1 39 LEU MD2 1 69 LEU MD1 . . 6.080 3.344 2.981 3.865 . 0 0 "[ . 1 . 2]" 1
1036 1 39 LEU MD2 1 69 LEU MD2 . . 6.400 3.394 3.143 3.676 . 0 0 "[ . 1 . 2]" 1
1037 1 39 LEU MD2 1 71 PHE HB3 . . 7.030 4.927 4.634 5.369 . 0 0 "[ . 1 . 2]" 1
1038 1 39 LEU HG 1 40 LYS H . . 2.720 1.983 1.934 2.193 . 0 0 "[ . 1 . 2]" 1
1039 1 39 LEU HG 1 40 LYS HA . . 6.000 4.061 3.681 4.309 . 0 0 "[ . 1 . 2]" 1
1040 1 39 LEU HG 1 41 ALA H . . 6.000 2.246 1.945 4.306 . 0 0 "[ . 1 . 2]" 1
1041 1 39 LEU HG 1 41 ALA MB . . 5.910 4.369 4.154 4.873 . 0 0 "[ . 1 . 2]" 1
1042 1 39 LEU HG 1 60 VAL MG2 . . 4.800 2.974 2.720 3.241 . 0 0 "[ . 1 . 2]" 1
1043 1 40 LYS H 1 40 LYS HB2 . . 3.800 2.868 2.746 3.166 . 0 0 "[ . 1 . 2]" 1
1044 1 40 LYS H 1 40 LYS HB3 . . 3.800 3.433 2.804 3.773 . 0 0 "[ . 1 . 2]" 1
1045 1 40 LYS H 1 41 ALA H . . 4.780 2.289 1.913 4.198 . 0 0 "[ . 1 . 2]" 1
1046 1 40 LYS H 1 42 GLU H . . 4.990 3.521 3.311 4.442 . 0 0 "[ . 1 . 2]" 1
1047 1 40 LYS H 1 45 HIS QB . . 6.480 4.122 3.698 4.418 . 0 0 "[ . 1 . 2]" 1
1048 1 40 LYS H 1 45 HIS HD2 . . 2.690 2.432 2.031 2.682 . 0 0 "[ . 1 . 2]" 1
1049 1 40 LYS H 1 47 PHE HB3 . . 4.960 4.749 3.722 4.962 0.002 20 0 "[ . 1 . 2]" 1
1050 1 40 LYS H 1 60 VAL MG2 . . 4.870 3.676 2.827 3.956 . 0 0 "[ . 1 . 2]" 1
1051 1 40 LYS HA 1 40 LYS HG2 . . 3.700 2.527 2.030 3.671 . 0 0 "[ . 1 . 2]" 1
1052 1 40 LYS HA 1 40 LYS QG . . 3.540 2.078 2.000 2.429 . 0 0 "[ . 1 . 2]" 1
1053 1 40 LYS HA 1 40 LYS HG3 . . 3.700 2.550 2.038 3.332 . 0 0 "[ . 1 . 2]" 1
1054 1 40 LYS HA 1 41 ALA H . . 3.050 2.905 2.177 3.051 0.001 19 0 "[ . 1 . 2]" 1
1055 1 40 LYS HA 1 42 GLU H . . 5.600 5.302 4.914 5.490 . 0 0 "[ . 1 . 2]" 1
1056 1 40 LYS QB 1 42 GLU QB . . 6.680 3.087 2.923 3.455 . 0 0 "[ . 1 . 2]" 1
1057 1 40 LYS QB 1 45 HIS QB . . 7.750 4.331 3.006 4.814 . 0 0 "[ . 1 . 2]" 1
1058 1 40 LYS HB2 1 41 ALA H . . 4.600 4.362 4.165 4.541 . 0 0 "[ . 1 . 2]" 1
1059 1 40 LYS HB2 1 42 GLU H . . 6.000 5.256 4.666 5.785 . 0 0 "[ . 1 . 2]" 1
1060 1 40 LYS HB2 1 42 GLU HB2 . . 7.750 4.198 3.364 5.240 . 0 0 "[ . 1 . 2]" 1
1061 1 40 LYS HB2 1 42 GLU HB3 . . 7.750 5.182 4.472 5.673 . 0 0 "[ . 1 . 2]" 1
1062 1 40 LYS HB3 1 41 ALA H . . 4.600 4.323 4.193 4.486 . 0 0 "[ . 1 . 2]" 1
1063 1 40 LYS HB3 1 42 GLU H . . 6.000 4.882 4.232 5.336 . 0 0 "[ . 1 . 2]" 1
1064 1 40 LYS HB3 1 42 GLU HB2 . . 7.750 3.366 3.048 3.901 . 0 0 "[ . 1 . 2]" 1
1065 1 40 LYS HB3 1 42 GLU HB3 . . 7.750 4.657 3.886 5.396 . 0 0 "[ . 1 . 2]" 1
1066 1 40 LYS QD 1 41 ALA H . . 6.880 5.965 4.557 6.153 . 0 0 "[ . 1 . 2]" 1
1067 1 40 LYS QE 1 41 ALA H . . 6.880 5.581 2.914 6.150 . 0 0 "[ . 1 . 2]" 1
1068 1 40 LYS QG 1 41 ALA H . . 5.260 4.398 2.658 4.631 . 0 0 "[ . 1 . 2]" 1
1069 1 40 LYS QG 1 42 GLU H . . 6.880 5.935 4.165 6.183 . 0 0 "[ . 1 . 2]" 1
1070 1 40 LYS QG 1 42 GLU QB . . 6.820 4.683 2.638 5.147 . 0 0 "[ . 1 . 2]" 1
1071 1 40 LYS HG2 1 41 ALA H . . 5.460 4.997 4.023 5.361 . 0 0 "[ . 1 . 2]" 1
1072 1 40 LYS HG2 1 42 GLU HB2 . . 7.750 5.316 2.934 6.243 . 0 0 "[ . 1 . 2]" 1
1073 1 40 LYS HG2 1 42 GLU HB3 . . 7.750 6.742 3.744 7.661 . 0 0 "[ . 1 . 2]" 1
1074 1 40 LYS HG3 1 41 ALA H . . 5.460 4.998 2.683 5.489 0.029 2 0 "[ . 1 . 2]" 1
1075 1 40 LYS HG3 1 42 GLU HB2 . . 7.750 5.774 3.208 6.215 . 0 0 "[ . 1 . 2]" 1
1076 1 40 LYS HG3 1 42 GLU HB3 . . 7.750 7.046 4.493 7.647 . 0 0 "[ . 1 . 2]" 1
1077 1 41 ALA H 1 41 ALA MB . . 3.430 2.687 2.016 2.836 . 0 0 "[ . 1 . 2]" 1
1078 1 41 ALA H 1 42 GLU H . . 4.060 3.235 3.000 4.072 0.012 16 0 "[ . 1 . 2]" 1
1079 1 41 ALA HA 1 42 GLU H . . 2.510 2.493 2.362 2.538 0.028 14 0 "[ . 1 . 2]" 1
1080 1 41 ALA HA 1 60 VAL MG1 . . 4.940 3.667 3.489 3.844 . 0 0 "[ . 1 . 2]" 1
1081 1 41 ALA HA 1 60 VAL MG2 . . 5.050 3.771 3.599 3.923 . 0 0 "[ . 1 . 2]" 1
1082 1 41 ALA HA 1 63 VAL HB . . 5.600 3.733 3.624 3.872 . 0 0 "[ . 1 . 2]" 1
1083 1 41 ALA HA 1 63 VAL MG1 . . 4.540 2.985 2.692 3.252 . 0 0 "[ . 1 . 2]" 1
1084 1 41 ALA HA 1 63 VAL MG2 . . 6.780 1.983 1.898 2.073 . 0 0 "[ . 1 . 2]" 1
1085 1 41 ALA HA 1 69 LEU MD1 . . 4.110 3.161 2.943 3.418 . 0 0 "[ . 1 . 2]" 1
1086 1 41 ALA HA 1 69 LEU MD2 . . 6.810 4.742 4.438 5.165 . 0 0 "[ . 1 . 2]" 1
1087 1 41 ALA MB 1 60 VAL MG1 . . 7.190 4.721 4.613 4.824 . 0 0 "[ . 1 . 2]" 1
1088 1 41 ALA MB 1 63 VAL HB . . 7.030 4.410 4.179 4.555 . 0 0 "[ . 1 . 2]" 1
1089 1 41 ALA MB 1 63 VAL MG1 . . 5.820 3.604 3.416 3.807 . 0 0 "[ . 1 . 2]" 1
1090 1 41 ALA MB 1 63 VAL MG2 . . 5.390 2.130 1.933 2.327 . 0 0 "[ . 1 . 2]" 1
1091 1 41 ALA MB 1 69 LEU MD1 . . 5.280 3.097 2.698 3.306 . 0 0 "[ . 1 . 2]" 1
1092 1 41 ALA MB 1 69 LEU MD2 . . 7.730 4.068 3.797 4.570 . 0 0 "[ . 1 . 2]" 1
1093 1 42 GLU H 1 42 GLU HB2 . . 3.300 2.935 2.810 3.160 . 0 0 "[ . 1 . 2]" 1
1094 1 42 GLU H 1 42 GLU HB3 . . 3.300 3.310 3.285 3.358 0.058 16 0 "[ . 1 . 2]" 1
1095 1 42 GLU H 1 42 GLU HG2 . . 5.320 4.885 4.815 4.978 . 0 0 "[ . 1 . 2]" 1
1096 1 42 GLU H 1 42 GLU QG . . 5.080 4.135 4.073 4.213 . 0 0 "[ . 1 . 2]" 1
1097 1 42 GLU H 1 42 GLU HG3 . . 5.320 4.466 4.375 4.629 . 0 0 "[ . 1 . 2]" 1
1098 1 42 GLU H 1 43 THR H . . 4.420 4.015 3.668 4.257 . 0 0 "[ . 1 . 2]" 1
1099 1 42 GLU H 1 45 HIS HB2 . . 4.270 3.857 3.529 4.156 . 0 0 "[ . 1 . 2]" 1
1100 1 42 GLU H 1 45 HIS QB . . 3.980 3.286 3.056 3.497 . 0 0 "[ . 1 . 2]" 1
1101 1 42 GLU H 1 45 HIS HB3 . . 4.270 3.600 3.206 4.001 . 0 0 "[ . 1 . 2]" 1
1102 1 42 GLU H 1 60 VAL HB . . 5.460 3.979 3.714 4.166 . 0 0 "[ . 1 . 2]" 1
1103 1 42 GLU H 1 60 VAL MG1 . . 4.180 3.138 2.904 3.282 . 0 0 "[ . 1 . 2]" 1
1104 1 42 GLU H 1 60 VAL MG2 . . 4.330 2.910 2.740 3.381 . 0 0 "[ . 1 . 2]" 1
1105 1 42 GLU H 1 63 VAL MG1 . . 3.860 2.371 1.901 2.644 . 0 0 "[ . 1 . 2]" 1
1106 1 42 GLU H 1 63 VAL MG2 . . 7.030 3.363 3.153 3.581 . 0 0 "[ . 1 . 2]" 1
1107 1 42 GLU H 1 69 LEU MD1 . . 6.490 4.648 4.477 4.821 . 0 0 "[ . 1 . 2]" 1
1108 1 42 GLU HA 1 42 GLU HB2 . . 3.050 2.779 2.704 2.819 . 0 0 "[ . 1 . 2]" 1
1109 1 42 GLU HA 1 42 GLU HB3 . . 3.050 2.961 2.934 3.003 . 0 0 "[ . 1 . 2]" 1
1110 1 42 GLU HA 1 42 GLU HG2 . . 4.130 2.853 2.661 3.128 . 0 0 "[ . 1 . 2]" 1
1111 1 42 GLU HA 1 42 GLU QG . . 3.890 2.082 1.975 2.183 . 0 0 "[ . 1 . 2]" 1
1112 1 42 GLU HA 1 42 GLU HG3 . . 4.130 2.149 2.000 2.298 . 0 0 "[ . 1 . 2]" 1
1113 1 42 GLU HA 1 43 THR H . . 2.470 2.211 2.202 2.244 . 0 0 "[ . 1 . 2]" 1
1114 1 42 GLU HA 1 43 THR HA . . 4.990 4.397 4.361 4.445 . 0 0 "[ . 1 . 2]" 1
1115 1 42 GLU HA 1 43 THR HB . . 4.200 4.210 4.191 4.256 0.056 17 0 "[ . 1 . 2]" 1
1116 1 42 GLU HA 1 43 THR MG . . 5.480 4.401 4.261 4.437 . 0 0 "[ . 1 . 2]" 1
1117 1 42 GLU HA 1 63 VAL MG1 . . 5.910 2.443 2.244 2.632 . 0 0 "[ . 1 . 2]" 1
1118 1 42 GLU QB 1 43 THR H . . 4.300 3.765 3.519 3.943 . 0 0 "[ . 1 . 2]" 1
1119 1 42 GLU QB 1 45 HIS H . . 5.320 4.222 3.951 4.466 . 0 0 "[ . 1 . 2]" 1
1120 1 42 GLU QB 1 45 HIS QB . . 4.360 2.030 1.957 2.370 . 0 0 "[ . 1 . 2]" 1
1121 1 42 GLU HB2 1 43 THR H . . 4.670 4.612 4.480 4.683 0.013 16 0 "[ . 1 . 2]" 1
1122 1 42 GLU HB2 1 45 HIS H . . 6.000 5.772 5.531 6.007 0.007 16 0 "[ . 1 . 2]" 1
1123 1 42 GLU HB2 1 45 HIS HB2 . . 5.480 3.449 3.238 3.653 . 0 0 "[ . 1 . 2]" 1
1124 1 42 GLU HB2 1 45 HIS HB3 . . 5.480 4.332 3.954 4.919 . 0 0 "[ . 1 . 2]" 1
1125 1 42 GLU HB3 1 43 THR H . . 4.670 3.994 3.680 4.243 . 0 0 "[ . 1 . 2]" 1
1126 1 42 GLU HB3 1 45 HIS H . . 6.000 4.342 4.045 4.608 . 0 0 "[ . 1 . 2]" 1
1127 1 42 GLU HB3 1 45 HIS HB2 . . 5.480 2.068 1.998 2.427 . 0 0 "[ . 1 . 2]" 1
1128 1 42 GLU HB3 1 45 HIS HB3 . . 5.480 3.391 2.972 3.955 . 0 0 "[ . 1 . 2]" 1
1129 1 42 GLU QG 1 43 THR H . . 4.040 3.247 2.961 3.429 . 0 0 "[ . 1 . 2]" 1
1130 1 42 GLU HG2 1 43 THR H . . 4.240 3.618 3.153 3.985 . 0 0 "[ . 1 . 2]" 1
1131 1 42 GLU HG3 1 43 THR H . . 4.240 3.729 3.355 4.064 . 0 0 "[ . 1 . 2]" 1
1132 1 43 THR H 1 43 THR HB . . 2.870 2.103 2.017 2.253 . 0 0 "[ . 1 . 2]" 1
1133 1 43 THR H 1 43 THR MG . . 4.540 2.735 2.458 2.977 . 0 0 "[ . 1 . 2]" 1
1134 1 43 THR H 1 44 GLY H . . 4.700 4.642 4.607 4.656 . 0 0 "[ . 1 . 2]" 1
1135 1 43 THR H 1 60 VAL HB . . 6.000 4.762 4.532 5.105 . 0 0 "[ . 1 . 2]" 1
1136 1 43 THR H 1 63 VAL H . . 5.640 4.341 3.937 4.597 . 0 0 "[ . 1 . 2]" 1
1137 1 43 THR H 1 63 VAL HB . . 5.570 4.885 4.562 5.309 . 0 0 "[ . 1 . 2]" 1
1138 1 43 THR H 1 63 VAL MG1 . . 3.930 2.142 1.953 2.413 . 0 0 "[ . 1 . 2]" 1
1139 1 43 THR H 1 63 VAL MG2 . . 5.410 4.211 3.982 4.395 . 0 0 "[ . 1 . 2]" 1
1140 1 43 THR HA 1 44 GLY H . . 2.620 2.231 2.187 2.321 . 0 0 "[ . 1 . 2]" 1
1141 1 43 THR HA 1 44 GLY HA2 . . 5.240 4.399 4.378 4.448 . 0 0 "[ . 1 . 2]" 1
1142 1 43 THR HA 1 45 HIS H . . 4.060 3.370 3.085 3.671 . 0 0 "[ . 1 . 2]" 1
1143 1 43 THR HA 1 60 VAL HB . . 4.270 2.638 2.231 3.269 . 0 0 "[ . 1 . 2]" 1
1144 1 43 THR HA 1 60 VAL MG1 . . 3.640 2.302 1.979 2.624 . 0 0 "[ . 1 . 2]" 1
1145 1 43 THR HA 1 60 VAL MG2 . . 7.030 4.077 3.768 4.643 . 0 0 "[ . 1 . 2]" 1
1146 1 43 THR HA 1 63 VAL MG1 . . 5.230 2.423 2.235 2.605 . 0 0 "[ . 1 . 2]" 1
1147 1 43 THR HB 1 44 GLY H . . 4.490 4.375 4.200 4.477 . 0 0 "[ . 1 . 2]" 1
1148 1 43 THR HB 1 60 VAL MG1 . . 6.700 3.891 3.336 4.448 . 0 0 "[ . 1 . 2]" 1
1149 1 43 THR MG 1 44 GLY H . . 4.260 3.367 3.184 3.440 . 0 0 "[ . 1 . 2]" 1
1150 1 43 THR MG 1 45 HIS H . . 7.030 4.743 4.444 4.952 . 0 0 "[ . 1 . 2]" 1
1151 1 43 THR MG 1 60 VAL MG1 . . 7.260 4.562 4.267 4.900 . 0 0 "[ . 1 . 2]" 1
1152 1 43 THR MG 1 62 ASP HA . . 5.300 4.306 4.182 4.432 . 0 0 "[ . 1 . 2]" 1
1153 1 43 THR MG 1 63 VAL H . . 5.520 4.438 4.248 4.629 . 0 0 "[ . 1 . 2]" 1
1154 1 44 GLY H 1 45 HIS H . . 3.300 2.577 2.438 2.679 . 0 0 "[ . 1 . 2]" 1
1155 1 44 GLY H 1 60 VAL HB . . 3.800 2.987 2.644 3.317 . 0 0 "[ . 1 . 2]" 1
1156 1 44 GLY H 1 60 VAL MG1 . . 4.620 3.564 3.345 3.686 . 0 0 "[ . 1 . 2]" 1
1157 1 44 GLY H 1 60 VAL MG2 . . 7.030 4.514 4.229 4.806 . 0 0 "[ . 1 . 2]" 1
1158 1 44 GLY H 1 61 THR HA . . 4.600 3.671 3.466 3.778 . 0 0 "[ . 1 . 2]" 1
1159 1 44 GLY H 1 63 VAL MG1 . . 6.850 4.299 4.069 4.526 . 0 0 "[ . 1 . 2]" 1
1160 1 44 GLY HA2 1 59 GLN QE . . 5.210 3.434 2.190 4.634 . 0 0 "[ . 1 . 2]" 1
1161 1 44 GLY HA2 1 61 THR HA . . 6.000 4.707 4.522 4.942 . 0 0 "[ . 1 . 2]" 1
1162 1 44 GLY HA3 1 60 VAL HB . . 6.000 5.338 5.082 5.655 . 0 0 "[ . 1 . 2]" 1
1163 1 44 GLY HA3 1 61 THR HA . . 6.000 5.843 5.675 5.991 . 0 0 "[ . 1 . 2]" 1
1164 1 45 HIS H 1 45 HIS HB2 . . 3.300 2.802 2.488 3.090 . 0 0 "[ . 1 . 2]" 1
1165 1 45 HIS H 1 45 HIS QB . . 3.070 2.294 2.203 2.417 . 0 0 "[ . 1 . 2]" 1
1166 1 45 HIS H 1 45 HIS HB3 . . 3.300 2.452 2.290 2.574 . 0 0 "[ . 1 . 2]" 1
1167 1 45 HIS H 1 45 HIS HD2 . . 6.000 5.141 4.786 5.326 . 0 0 "[ . 1 . 2]" 1
1168 1 45 HIS H 1 46 HIS H . . 5.210 4.316 3.402 4.623 . 0 0 "[ . 1 . 2]" 1
1169 1 45 HIS H 1 60 VAL H . . 4.450 2.994 2.548 3.318 . 0 0 "[ . 1 . 2]" 1
1170 1 45 HIS H 1 60 VAL HB . . 2.870 2.453 2.228 2.565 . 0 0 "[ . 1 . 2]" 1
1171 1 45 HIS H 1 60 VAL MG1 . . 4.900 3.987 3.772 4.101 . 0 0 "[ . 1 . 2]" 1
1172 1 45 HIS H 1 60 VAL MG2 . . 4.690 3.300 2.926 3.615 . 0 0 "[ . 1 . 2]" 1
1173 1 45 HIS HA 1 46 HIS H . . 2.760 2.451 2.250 2.601 . 0 0 "[ . 1 . 2]" 1
1174 1 45 HIS QB 1 46 HIS H . . 5.210 3.577 3.106 4.124 . 0 0 "[ . 1 . 2]" 1
1175 1 45 HIS QB 1 60 VAL H . . 6.880 3.485 3.085 4.072 . 0 0 "[ . 1 . 2]" 1
1176 1 45 HIS QB 1 60 VAL HB . . 5.740 2.982 2.430 3.336 . 0 0 "[ . 1 . 2]" 1
1177 1 45 HIS QB 1 60 VAL MG2 . . 5.210 2.381 1.989 2.873 . 0 0 "[ . 1 . 2]" 1
1178 1 45 HIS HB2 1 46 HIS H . . 5.500 4.114 3.739 4.696 . 0 0 "[ . 1 . 2]" 1
1179 1 45 HIS HB2 1 60 VAL HB . . 6.000 4.105 3.680 4.505 . 0 0 "[ . 1 . 2]" 1
1180 1 45 HIS HB3 1 46 HIS H . . 5.500 3.947 3.281 4.599 . 0 0 "[ . 1 . 2]" 1
1181 1 45 HIS HB3 1 60 VAL HB . . 6.000 3.071 2.457 3.438 . 0 0 "[ . 1 . 2]" 1
1182 1 45 HIS HD2 1 47 PHE H . . 6.000 5.277 4.488 5.798 . 0 0 "[ . 1 . 2]" 1
1183 1 45 HIS HD2 1 47 PHE HB2 . . 6.000 4.629 4.240 5.199 . 0 0 "[ . 1 . 2]" 1
1184 1 45 HIS HD2 1 47 PHE HB3 . . 4.740 3.225 2.788 3.607 . 0 0 "[ . 1 . 2]" 1
1185 1 45 HIS HD2 1 60 VAL MG2 . . 7.030 3.316 2.317 3.872 . 0 0 "[ . 1 . 2]" 1
1186 1 46 HIS H 1 46 HIS HB3 . . 3.880 3.132 2.558 3.724 . 0 0 "[ . 1 . 2]" 1
1187 1 46 HIS H 1 47 PHE H . . 4.420 4.230 3.960 4.437 0.017 6 0 "[ . 1 . 2]" 1
1188 1 46 HIS HA 1 47 PHE H . . 2.650 2.207 2.186 2.328 . 0 0 "[ . 1 . 2]" 1
1189 1 46 HIS HA 1 59 GLN HA . . 3.340 2.684 2.001 3.267 . 0 0 "[ . 1 . 2]" 1
1190 1 46 HIS HA 1 59 GLN HB3 . . 6.000 4.824 4.022 5.394 . 0 0 "[ . 1 . 2]" 1
1191 1 46 HIS HA 1 60 VAL H . . 4.670 4.035 3.438 4.509 . 0 0 "[ . 1 . 2]" 1
1192 1 46 HIS HB2 1 47 PHE H . . 3.840 3.717 3.147 3.847 0.007 4 0 "[ . 1 . 2]" 1
1193 1 46 HIS HB3 1 47 PHE H . . 4.340 4.289 4.035 4.355 0.015 6 0 "[ . 1 . 2]" 1
1194 1 47 PHE H 1 47 PHE QE . . 6.610 4.012 3.694 4.503 . 0 0 "[ . 1 . 2]" 1
1195 1 47 PHE H 1 48 HIS H . . 6.000 4.401 4.270 4.517 . 0 0 "[ . 1 . 2]" 1
1196 1 47 PHE H 1 58 CYS H . . 4.670 3.539 2.737 4.066 . 0 0 "[ . 1 . 2]" 1
1197 1 47 PHE H 1 59 GLN HA . . 3.800 3.081 2.477 3.627 . 0 0 "[ . 1 . 2]" 1
1198 1 47 PHE H 1 59 GLN QG . . 6.880 4.978 4.230 5.576 . 0 0 "[ . 1 . 2]" 1
1199 1 47 PHE HA 1 47 PHE HB2 . . 3.050 2.482 2.383 2.566 . 0 0 "[ . 1 . 2]" 1
1200 1 47 PHE HA 1 47 PHE HB3 . . 3.010 2.554 2.468 2.680 . 0 0 "[ . 1 . 2]" 1
1201 1 47 PHE HA 1 48 HIS H . . 3.620 2.282 2.207 2.419 . 0 0 "[ . 1 . 2]" 1
1202 1 47 PHE HB2 1 48 HIS H . . 3.660 3.112 2.671 3.517 . 0 0 "[ . 1 . 2]" 1
1203 1 47 PHE HB3 1 48 HIS H . . 4.630 4.210 3.930 4.494 . 0 0 "[ . 1 . 2]" 1
1204 1 47 PHE QD 1 48 HIS H . . 7.620 3.940 3.273 4.457 . 0 0 "[ . 1 . 2]" 1
1205 1 47 PHE HZ 1 49 LEU MD1 . . 6.240 4.570 3.712 5.110 . 0 0 "[ . 1 . 2]" 1
1206 1 48 HIS H 1 48 HIS HB2 . . 4.160 2.221 2.133 2.365 . 0 0 "[ . 1 . 2]" 1
1207 1 48 HIS H 1 49 LEU H . . 6.000 4.586 4.531 4.632 . 0 0 "[ . 1 . 2]" 1
1208 1 48 HIS HA 1 49 LEU H . . 2.900 2.496 2.337 2.583 . 0 0 "[ . 1 . 2]" 1
1209 1 48 HIS HA 1 49 LEU QB . . 5.910 3.874 3.817 3.924 . 0 0 "[ . 1 . 2]" 1
1210 1 48 HIS HA 1 56 SER H . . 5.320 5.117 4.887 5.324 0.004 4 0 "[ . 1 . 2]" 1
1211 1 48 HIS HA 1 56 SER HA . . 6.000 5.851 5.271 5.989 . 0 0 "[ . 1 . 2]" 1
1212 1 48 HIS HA 1 57 PRO HA . . 3.340 2.377 1.999 2.722 . 0 0 "[ . 1 . 2]" 1
1213 1 48 HIS HA 1 58 CYS H . . 3.950 2.835 2.087 3.474 . 0 0 "[ . 1 . 2]" 1
1214 1 48 HIS HB2 1 49 LEU H . . 4.670 3.875 3.555 4.160 . 0 0 "[ . 1 . 2]" 1
1215 1 48 HIS HB3 1 49 LEU H . . 4.240 2.527 2.255 2.949 . 0 0 "[ . 1 . 2]" 1
1216 1 48 HIS HB3 1 56 SER H . . 5.500 4.848 4.307 5.246 . 0 0 "[ . 1 . 2]" 1
1217 1 48 HIS HD2 1 55 PRO QB . . 5.300 3.652 2.782 4.212 . 0 0 "[ . 1 . 2]" 1
1218 1 48 HIS HD2 1 56 SER H . . 6.000 4.609 2.986 5.488 . 0 0 "[ . 1 . 2]" 1
1219 1 48 HIS HD2 1 57 PRO HA . . 4.240 3.507 2.578 4.142 . 0 0 "[ . 1 . 2]" 1
1220 1 48 HIS HD2 1 57 PRO HB3 . . 6.000 3.827 3.050 4.816 . 0 0 "[ . 1 . 2]" 1
1221 1 49 LEU H 1 49 LEU HG . . 4.990 4.497 4.315 4.623 . 0 0 "[ . 1 . 2]" 1
1222 1 49 LEU H 1 50 GLN H . . 4.600 4.328 4.093 4.453 . 0 0 "[ . 1 . 2]" 1
1223 1 49 LEU H 1 50 GLN QG . . 5.400 4.354 4.046 4.571 . 0 0 "[ . 1 . 2]" 1
1224 1 49 LEU H 1 56 SER H . . 3.840 3.016 2.809 3.222 . 0 0 "[ . 1 . 2]" 1
1225 1 49 LEU H 1 56 SER HA . . 4.880 4.801 4.411 4.881 0.001 17 0 "[ . 1 . 2]" 1
1226 1 49 LEU H 1 56 SER HB2 . . 6.000 5.034 4.785 5.426 . 0 0 "[ . 1 . 2]" 1
1227 1 49 LEU H 1 56 SER QB . . 5.480 4.482 4.271 4.790 . 0 0 "[ . 1 . 2]" 1
1228 1 49 LEU H 1 56 SER HB3 . . 6.000 5.041 4.770 5.532 . 0 0 "[ . 1 . 2]" 1
1229 1 49 LEU H 1 57 PRO QD . . 6.880 5.110 4.802 5.347 . 0 0 "[ . 1 . 2]" 1
1230 1 49 LEU HA 1 49 LEU MD1 . . 3.860 2.395 2.082 2.805 . 0 0 "[ . 1 . 2]" 1
1231 1 49 LEU HA 1 50 GLN H . . 2.870 2.220 2.176 2.327 . 0 0 "[ . 1 . 2]" 1
1232 1 49 LEU QB 1 50 GLN H . . 4.350 3.747 3.533 3.921 . 0 0 "[ . 1 . 2]" 1
1233 1 49 LEU QB 1 56 SER H . . 5.800 2.926 2.312 3.275 . 0 0 "[ . 1 . 2]" 1
1234 1 49 LEU QB 1 56 SER QB . . 4.560 3.316 3.051 3.572 . 0 0 "[ . 1 . 2]" 1
1235 1 49 LEU HB2 1 50 GLN H . . 4.700 4.301 4.137 4.481 . 0 0 "[ . 1 . 2]" 1
1236 1 49 LEU HB2 1 56 SER HB2 . . 5.520 5.253 4.675 5.492 . 0 0 "[ . 1 . 2]" 1
1237 1 49 LEU HB2 1 56 SER HB3 . . 5.520 5.110 4.374 5.455 . 0 0 "[ . 1 . 2]" 1
1238 1 49 LEU HB3 1 50 GLN H . . 4.700 4.134 3.833 4.441 . 0 0 "[ . 1 . 2]" 1
1239 1 49 LEU HB3 1 56 SER HB2 . . 5.520 3.718 3.203 4.278 . 0 0 "[ . 1 . 2]" 1
1240 1 49 LEU HB3 1 56 SER HB3 . . 5.520 3.975 3.644 4.299 . 0 0 "[ . 1 . 2]" 1
1241 1 49 LEU MD1 1 50 GLN H . . 4.620 3.270 2.768 3.761 . 0 0 "[ . 1 . 2]" 1
1242 1 49 LEU MD2 1 50 GLN H . . 7.030 4.240 3.752 4.805 . 0 0 "[ . 1 . 2]" 1
1243 1 49 LEU MD2 1 56 SER QB . . 7.910 3.387 2.816 4.001 . 0 0 "[ . 1 . 2]" 1
1244 1 49 LEU MD2 1 73 TRP HE1 . . 4.800 2.292 1.865 3.182 . 0 0 "[ . 1 . 2]" 1
1245 1 49 LEU HG 1 50 GLN H . . 3.950 2.697 2.094 3.383 . 0 0 "[ . 1 . 2]" 1
1246 1 49 LEU HG 1 56 SER QB . . 6.880 5.210 4.671 5.941 . 0 0 "[ . 1 . 2]" 1
1247 1 50 GLN H 1 50 GLN HB2 . . 3.410 2.435 2.288 2.567 . 0 0 "[ . 1 . 2]" 1
1248 1 50 GLN H 1 50 GLN HB3 . . 3.800 3.628 3.540 3.699 . 0 0 "[ . 1 . 2]" 1
1249 1 50 GLN H 1 50 GLN HG2 . . 3.440 3.048 2.648 3.224 . 0 0 "[ . 1 . 2]" 1
1250 1 50 GLN H 1 50 GLN QG . . 3.220 2.831 2.533 2.957 . 0 0 "[ . 1 . 2]" 1
1251 1 50 GLN H 1 50 GLN HG3 . . 3.440 3.376 3.133 3.451 0.011 3 0 "[ . 1 . 2]" 1
1252 1 50 GLN H 1 51 SER H . . 4.630 3.799 3.662 3.956 . 0 0 "[ . 1 . 2]" 1
1253 1 50 GLN HA 1 50 GLN HE21 . . 4.990 2.609 2.307 3.230 . 0 0 "[ . 1 . 2]" 1
1254 1 50 GLN HA 1 50 GLN HE22 . . 5.600 4.094 3.855 4.648 . 0 0 "[ . 1 . 2]" 1
1255 1 50 GLN HA 1 51 SER H . . 2.940 2.400 2.326 2.425 . 0 0 "[ . 1 . 2]" 1
1256 1 50 GLN HA 1 51 SER QB . . 5.870 4.514 4.352 4.981 . 0 0 "[ . 1 . 2]" 1
1257 1 50 GLN HA 1 55 PRO HA . . 3.260 3.064 2.563 3.272 0.012 4 0 "[ . 1 . 2]" 1
1258 1 50 GLN HA 1 56 SER H . . 4.380 4.186 3.621 4.341 . 0 0 "[ . 1 . 2]" 1
1259 1 50 GLN HB2 1 51 SER H . . 4.810 4.592 4.534 4.626 . 0 0 "[ . 1 . 2]" 1
1260 1 50 GLN HB3 1 50 GLN HE21 . . 4.780 3.267 2.867 3.713 . 0 0 "[ . 1 . 2]" 1
1261 1 50 GLN HB3 1 50 GLN HE22 . . 4.990 3.808 3.588 4.062 . 0 0 "[ . 1 . 2]" 1
1262 1 50 GLN HB3 1 51 SER H . . 4.340 4.257 4.152 4.297 . 0 0 "[ . 1 . 2]" 1
1263 1 50 GLN HE21 1 51 SER H . . 6.000 4.769 4.447 5.449 . 0 0 "[ . 1 . 2]" 1
1264 1 50 GLN HE21 1 55 PRO QB . . 4.290 2.305 1.997 2.786 . 0 0 "[ . 1 . 2]" 1
1265 1 50 GLN HE22 1 55 PRO QB . . 4.360 3.507 3.262 3.690 . 0 0 "[ . 1 . 2]" 1
1266 1 50 GLN HG2 1 51 SER H . . 6.000 4.677 4.603 4.779 . 0 0 "[ . 1 . 2]" 1
1267 1 50 GLN HG3 1 51 SER H . . 6.000 5.820 5.687 5.885 . 0 0 "[ . 1 . 2]" 1
1268 1 51 SER H 1 51 SER HB2 . . 3.550 3.510 3.362 3.605 0.055 4 0 "[ . 1 . 2]" 1
1269 1 51 SER H 1 51 SER QB . . 3.220 2.365 2.178 2.984 . 0 0 "[ . 1 . 2]" 1
1270 1 51 SER H 1 51 SER HB3 . . 3.550 2.435 2.200 3.310 . 0 0 "[ . 1 . 2]" 1
1271 1 51 SER H 1 51 SER HG . . 4.020 3.062 1.960 4.043 0.023 15 0 "[ . 1 . 2]" 1
1272 1 51 SER H 1 52 PRO QD . . 6.880 4.313 4.274 4.338 . 0 0 "[ . 1 . 2]" 1
1273 1 51 SER H 1 55 PRO HA . . 3.620 2.695 2.340 3.160 . 0 0 "[ . 1 . 2]" 1
1274 1 51 SER H 1 56 SER H . . 4.380 3.652 3.428 3.921 . 0 0 "[ . 1 . 2]" 1
1275 1 51 SER H 1 56 SER QB . . 5.690 4.696 4.401 4.934 . 0 0 "[ . 1 . 2]" 1
1276 1 51 SER HA 1 51 SER HB2 . . 2.980 2.366 2.265 2.781 . 0 0 "[ . 1 . 2]" 1
1277 1 51 SER HA 1 51 SER HB3 . . 2.980 2.644 2.265 2.788 . 0 0 "[ . 1 . 2]" 1
1278 1 51 SER HA 1 52 PRO HD2 . . 3.480 2.936 2.821 3.062 . 0 0 "[ . 1 . 2]" 1
1279 1 51 SER HA 1 52 PRO QD . . 3.210 2.101 2.022 2.196 . 0 0 "[ . 1 . 2]" 1
1280 1 51 SER HA 1 52 PRO HD3 . . 3.480 2.152 2.071 2.250 . 0 0 "[ . 1 . 2]" 1
1281 1 51 SER HA 1 52 PRO QG . . 5.870 4.080 4.011 4.162 . 0 0 "[ . 1 . 2]" 1
1282 1 51 SER HA 1 53 PHE H . . 5.350 4.216 3.926 4.724 . 0 0 "[ . 1 . 2]" 1
1283 1 51 SER QB 1 52 PRO QD . . 5.010 2.011 1.922 2.182 . 0 0 "[ . 1 . 2]" 1
1284 1 51 SER QB 1 53 PHE H . . 6.380 3.069 2.004 3.632 . 0 0 "[ . 1 . 2]" 1
1285 1 51 SER QB 1 73 TRP HE1 . . 5.220 3.401 2.519 4.314 . 0 0 "[ . 1 . 2]" 1
1286 1 51 SER QB 1 73 TRP HZ2 . . 5.430 2.643 2.271 3.320 . 0 0 "[ . 1 . 2]" 1
1287 1 51 SER HB2 1 52 PRO HD2 . . 6.170 2.095 1.985 2.287 . 0 0 "[ . 1 . 2]" 1
1288 1 51 SER HB2 1 52 PRO HD3 . . 6.170 2.816 2.571 3.342 . 0 0 "[ . 1 . 2]" 1
1289 1 51 SER HB2 1 73 TRP HZ2 . . 5.710 2.980 2.358 3.620 . 0 0 "[ . 1 . 2]" 1
1290 1 51 SER HB3 1 52 PRO HD2 . . 6.170 3.511 2.711 3.753 . 0 0 "[ . 1 . 2]" 1
1291 1 51 SER HB3 1 52 PRO HD3 . . 6.170 3.976 3.184 4.230 . 0 0 "[ . 1 . 2]" 1
1292 1 51 SER HB3 1 73 TRP HZ2 . . 5.710 3.069 2.486 4.016 . 0 0 "[ . 1 . 2]" 1
1293 1 51 SER HG 1 53 PHE H . . 3.880 2.482 1.941 3.595 . 0 0 "[ . 1 . 2]" 1
1294 1 51 SER HG 1 54 GLY H . . 4.090 3.384 2.249 4.019 . 0 0 "[ . 1 . 2]" 1
1295 1 52 PRO HA 1 53 PHE HA . . 4.880 4.507 4.424 4.676 . 0 0 "[ . 1 . 2]" 1
1296 1 52 PRO HA 1 54 GLY H . . 4.160 3.681 3.457 3.982 . 0 0 "[ . 1 . 2]" 1
1297 1 52 PRO HB2 1 53 PHE H . . 3.910 3.573 3.017 3.898 . 0 0 "[ . 1 . 2]" 1
1298 1 52 PRO HB2 1 53 PHE QD . . 8.120 4.456 2.912 5.418 . 0 0 "[ . 1 . 2]" 1
1299 1 52 PRO HB3 1 53 PHE QD . . 8.120 5.901 4.359 6.779 . 0 0 "[ . 1 . 2]" 1
1300 1 52 PRO QD 1 53 PHE H . . 3.680 2.356 2.234 2.505 . 0 0 "[ . 1 . 2]" 1
1301 1 52 PRO QD 1 54 GLY H . . 6.880 4.797 3.930 5.199 . 0 0 "[ . 1 . 2]" 1
1302 1 52 PRO HD2 1 53 PHE H . . 3.840 2.384 2.254 2.544 . 0 0 "[ . 1 . 2]" 1
1303 1 52 PRO HD3 1 53 PHE H . . 3.840 3.703 3.656 3.751 . 0 0 "[ . 1 . 2]" 1
1304 1 52 PRO QG 1 53 PHE H . . 5.110 3.117 2.524 3.512 . 0 0 "[ . 1 . 2]" 1
1305 1 52 PRO QG 1 53 PHE QD . . 9.000 3.832 2.369 4.767 . 0 0 "[ . 1 . 2]" 1
1306 1 53 PHE H 1 53 PHE HB2 . . 3.160 2.191 1.971 2.423 . 0 0 "[ . 1 . 2]" 1
1307 1 53 PHE H 1 53 PHE HB3 . . 3.620 3.050 2.688 3.482 . 0 0 "[ . 1 . 2]" 1
1308 1 53 PHE H 1 54 GLY H . . 4.380 3.071 2.477 3.567 . 0 0 "[ . 1 . 2]" 1
1309 1 53 PHE HB2 1 54 GLY H . . 4.850 4.345 3.570 4.648 . 0 0 "[ . 1 . 2]" 1
1310 1 53 PHE HB3 1 54 GLY H . . 5.100 4.176 2.894 4.486 . 0 0 "[ . 1 . 2]" 1
1311 1 53 PHE QD 1 54 GLY H . . 8.120 4.770 4.399 5.033 . 0 0 "[ . 1 . 2]" 1
1312 1 54 GLY H 1 55 PRO QD . . 6.300 3.793 3.540 4.148 . 0 0 "[ . 1 . 2]" 1
1313 1 55 PRO HA 1 56 SER H . . 2.900 2.209 2.158 2.271 . 0 0 "[ . 1 . 2]" 1
1314 1 55 PRO HB2 1 56 SER H . . 4.700 3.397 3.163 3.668 . 0 0 "[ . 1 . 2]" 1
1315 1 55 PRO HB3 1 56 SER H . . 4.700 3.797 3.647 3.981 . 0 0 "[ . 1 . 2]" 1
1316 1 56 SER H 1 56 SER HB2 . . 3.700 2.641 2.538 2.753 . 0 0 "[ . 1 . 2]" 1
1317 1 56 SER H 1 56 SER HB3 . . 3.700 3.479 3.319 3.703 0.003 15 0 "[ . 1 . 2]" 1
1318 1 56 SER QB 1 73 TRP HD1 . . 5.460 2.615 2.076 4.145 . 0 0 "[ . 1 . 2]" 1
1319 1 56 SER QB 1 73 TRP HE1 . . 5.300 2.451 1.860 4.414 . 0 0 "[ . 1 . 2]" 1
1320 1 56 SER HB2 1 73 TRP HD1 . . 5.710 3.585 3.154 4.628 . 0 0 "[ . 1 . 2]" 1
1321 1 56 SER HB2 1 73 TRP HE1 . . 5.780 2.557 1.965 4.632 . 0 0 "[ . 1 . 2]" 1
1322 1 56 SER HB3 1 73 TRP HD1 . . 5.710 2.713 2.103 4.679 . 0 0 "[ . 1 . 2]" 1
1323 1 56 SER HB3 1 73 TRP HE1 . . 5.780 3.201 2.281 5.558 . 0 0 "[ . 1 . 2]" 1
1324 1 57 PRO HA 1 58 CYS H . . 2.800 2.275 2.148 2.437 . 0 0 "[ . 1 . 2]" 1
1325 1 57 PRO HB2 1 58 CYS H . . 3.880 3.216 2.708 3.861 . 0 0 "[ . 1 . 2]" 1
1326 1 57 PRO HB2 1 75 THR MG . . 6.450 4.265 2.790 5.154 . 0 0 "[ . 1 . 2]" 1
1327 1 57 PRO HB3 1 58 CYS H . . 4.380 3.693 3.397 4.125 . 0 0 "[ . 1 . 2]" 1
1328 1 57 PRO HB3 1 75 THR MG . . 7.030 5.094 4.182 5.637 . 0 0 "[ . 1 . 2]" 1
1329 1 57 PRO QD 1 74 ASP H . . 6.880 3.979 3.112 5.422 . 0 0 "[ . 1 . 2]" 1
1330 1 57 PRO QD 1 74 ASP QB . . 7.760 4.804 3.556 5.858 . 0 0 "[ . 1 . 2]" 1
1331 1 57 PRO QG 1 75 THR MG . . 5.380 2.702 1.948 3.119 . 0 0 "[ . 1 . 2]" 1
1332 1 58 CYS H 1 58 CYS HB2 . . 3.370 2.765 2.426 2.947 . 0 0 "[ . 1 . 2]" 1
1333 1 58 CYS H 1 58 CYS HB3 . . 3.910 3.823 3.629 3.931 0.021 12 0 "[ . 1 . 2]" 1
1334 1 58 CYS H 1 59 GLN H . . 5.960 4.418 4.342 4.556 . 0 0 "[ . 1 . 2]" 1
1335 1 58 CYS HA 1 59 GLN H . . 3.010 2.441 2.358 2.580 . 0 0 "[ . 1 . 2]" 1
1336 1 58 CYS HA 1 73 TRP HA . . 4.990 3.130 2.655 4.450 . 0 0 "[ . 1 . 2]" 1
1337 1 58 CYS HA 1 74 ASP H . . 4.340 3.717 2.899 4.223 . 0 0 "[ . 1 . 2]" 1
1338 1 58 CYS HB2 1 59 GLN H . . 4.090 3.769 3.624 3.881 . 0 0 "[ . 1 . 2]" 1
1339 1 58 CYS HB3 1 59 GLN H . . 3.550 2.643 2.315 2.871 . 0 0 "[ . 1 . 2]" 1
1340 1 59 GLN H 1 59 GLN HB2 . . 3.880 3.457 3.311 3.576 . 0 0 "[ . 1 . 2]" 1
1341 1 59 GLN H 1 59 GLN HB3 . . 3.700 2.857 2.810 2.962 . 0 0 "[ . 1 . 2]" 1
1342 1 59 GLN H 1 59 GLN QE . . 6.870 5.804 5.339 6.083 . 0 0 "[ . 1 . 2]" 1
1343 1 59 GLN H 1 60 VAL H . . 5.890 4.236 4.045 4.334 . 0 0 "[ . 1 . 2]" 1
1344 1 59 GLN H 1 60 VAL HA . . 5.350 4.526 4.457 4.586 . 0 0 "[ . 1 . 2]" 1
1345 1 59 GLN H 1 71 PHE HA . . 4.670 4.534 4.337 4.673 0.003 20 0 "[ . 1 . 2]" 1
1346 1 59 GLN H 1 71 PHE HB2 . . 4.490 4.290 3.938 4.450 . 0 0 "[ . 1 . 2]" 1
1347 1 59 GLN H 1 72 THR H . . 3.340 2.820 2.611 2.955 . 0 0 "[ . 1 . 2]" 1
1348 1 59 GLN H 1 72 THR MG . . 4.980 3.886 3.622 4.106 . 0 0 "[ . 1 . 2]" 1
1349 1 59 GLN HA 1 59 GLN HE21 . . 6.000 4.567 3.508 5.346 . 0 0 "[ . 1 . 2]" 1
1350 1 59 GLN HA 1 59 GLN HE22 . . 6.000 5.463 4.929 5.888 . 0 0 "[ . 1 . 2]" 1
1351 1 59 GLN HA 1 59 GLN HG2 . . 4.090 3.562 2.432 3.743 . 0 0 "[ . 1 . 2]" 1
1352 1 59 GLN HA 1 59 GLN QG . . 3.830 2.475 2.308 2.608 . 0 0 "[ . 1 . 2]" 1
1353 1 59 GLN HA 1 59 GLN HG3 . . 4.090 2.572 2.339 3.444 . 0 0 "[ . 1 . 2]" 1
1354 1 59 GLN HA 1 60 VAL H . . 2.800 2.263 2.204 2.346 . 0 0 "[ . 1 . 2]" 1
1355 1 59 GLN HA 1 60 VAL MG2 . . 6.380 3.448 3.279 3.563 . 0 0 "[ . 1 . 2]" 1
1356 1 59 GLN HB2 1 60 VAL H . . 5.140 4.126 3.971 4.332 . 0 0 "[ . 1 . 2]" 1
1357 1 59 GLN HB3 1 59 GLN HE22 . . 5.460 4.642 4.087 5.055 . 0 0 "[ . 1 . 2]" 1
1358 1 59 GLN HB3 1 60 VAL H . . 4.490 4.227 4.034 4.419 . 0 0 "[ . 1 . 2]" 1
1359 1 59 GLN HB3 1 72 THR H . . 4.450 4.206 3.744 4.378 . 0 0 "[ . 1 . 2]" 1
1360 1 59 GLN QG 1 60 VAL H . . 4.280 2.258 1.962 2.731 . 0 0 "[ . 1 . 2]" 1
1361 1 59 GLN QG 1 60 VAL MG1 . . 7.910 4.737 4.602 4.961 . 0 0 "[ . 1 . 2]" 1
1362 1 59 GLN QG 1 61 THR MG . . 6.020 3.384 3.006 4.165 . 0 0 "[ . 1 . 2]" 1
1363 1 59 GLN HG2 1 60 VAL H . . 4.630 3.517 2.063 3.940 . 0 0 "[ . 1 . 2]" 1
1364 1 59 GLN HG2 1 61 THR MG . . 6.310 3.516 3.105 4.502 . 0 0 "[ . 1 . 2]" 1
1365 1 59 GLN HG3 1 60 VAL H . . 4.630 2.371 1.976 3.802 . 0 0 "[ . 1 . 2]" 1
1366 1 59 GLN HG3 1 61 THR MG . . 6.310 4.449 4.012 4.908 . 0 0 "[ . 1 . 2]" 1
1367 1 60 VAL H 1 60 VAL HB . . 3.300 2.478 2.399 2.559 . 0 0 "[ . 1 . 2]" 1
1368 1 60 VAL H 1 60 VAL MG2 . . 3.680 2.183 1.963 2.405 . 0 0 "[ . 1 . 2]" 1
1369 1 60 VAL H 1 61 THR H . . 4.740 4.590 4.520 4.654 . 0 0 "[ . 1 . 2]" 1
1370 1 60 VAL HA 1 61 THR H . . 2.940 2.243 2.195 2.290 . 0 0 "[ . 1 . 2]" 1
1371 1 60 VAL HA 1 61 THR MG . . 5.260 3.221 3.069 3.379 . 0 0 "[ . 1 . 2]" 1
1372 1 60 VAL HA 1 62 ASP H . . 3.910 3.851 3.710 3.908 . 0 0 "[ . 1 . 2]" 1
1373 1 60 VAL HA 1 71 PHE HA . . 3.260 2.209 2.001 2.320 . 0 0 "[ . 1 . 2]" 1
1374 1 60 VAL HA 1 71 PHE HB2 . . 4.780 3.276 2.975 3.522 . 0 0 "[ . 1 . 2]" 1
1375 1 60 VAL HA 1 71 PHE HB3 . . 3.700 3.608 3.415 3.707 0.007 5 0 "[ . 1 . 2]" 1
1376 1 60 VAL HA 1 72 THR H . . 4.130 3.363 3.203 3.494 . 0 0 "[ . 1 . 2]" 1
1377 1 60 VAL HB 1 61 THR H . . 5.570 4.073 3.927 4.280 . 0 0 "[ . 1 . 2]" 1
1378 1 60 VAL MG1 1 61 THR H . . 4.000 2.386 2.025 2.735 . 0 0 "[ . 1 . 2]" 1
1379 1 60 VAL MG1 1 62 ASP H . . 3.430 2.345 2.103 2.568 . 0 0 "[ . 1 . 2]" 1
1380 1 60 VAL MG1 1 70 SER HB2 . . 6.630 5.391 5.272 5.453 . 0 0 "[ . 1 . 2]" 1
1381 1 60 VAL MG1 1 71 PHE HA . . 6.380 3.455 3.318 3.571 . 0 0 "[ . 1 . 2]" 1
1382 1 60 VAL MG2 1 61 THR H . . 4.980 4.107 4.032 4.150 . 0 0 "[ . 1 . 2]" 1
1383 1 60 VAL MG2 1 62 ASP H . . 6.200 4.870 4.731 5.019 . 0 0 "[ . 1 . 2]" 1
1384 1 60 VAL MG2 1 69 LEU MD1 . . 6.690 4.017 3.688 4.224 . 0 0 "[ . 1 . 2]" 1
1385 1 60 VAL MG2 1 69 LEU MD2 . . 8.060 5.258 4.947 5.413 . 0 0 "[ . 1 . 2]" 1
1386 1 60 VAL MG2 1 71 PHE HA . . 6.630 3.680 3.479 3.878 . 0 0 "[ . 1 . 2]" 1
1387 1 60 VAL MG2 1 71 PHE HB2 . . 7.030 3.045 2.911 3.213 . 0 0 "[ . 1 . 2]" 1
1388 1 60 VAL MG2 1 71 PHE HB3 . . 6.090 3.400 3.061 3.703 . 0 0 "[ . 1 . 2]" 1
1389 1 60 VAL MG2 1 71 PHE QD . . 9.150 4.601 4.447 4.793 . 0 0 "[ . 1 . 2]" 1
1390 1 60 VAL MG2 1 71 PHE QE . . 9.150 6.322 6.161 6.488 . 0 0 "[ . 1 . 2]" 1
1391 1 61 THR H 1 61 THR MG . . 4.330 2.325 2.151 2.538 . 0 0 "[ . 1 . 2]" 1
1392 1 61 THR H 1 62 ASP H . . 2.720 2.026 1.920 2.310 . 0 0 "[ . 1 . 2]" 1
1393 1 61 THR H 1 70 SER H . . 4.450 4.229 4.000 4.403 . 0 0 "[ . 1 . 2]" 1
1394 1 61 THR H 1 71 PHE HA . . 3.340 2.788 2.601 2.934 . 0 0 "[ . 1 . 2]" 1
1395 1 61 THR H 1 71 PHE HB3 . . 4.740 4.616 4.425 4.745 0.005 16 0 "[ . 1 . 2]" 1
1396 1 61 THR HA 1 61 THR HB . . 2.800 2.445 2.391 2.481 . 0 0 "[ . 1 . 2]" 1
1397 1 61 THR HA 1 61 THR MG . . 3.460 2.554 2.503 2.632 . 0 0 "[ . 1 . 2]" 1
1398 1 61 THR HB 1 62 ASP H . . 4.270 4.058 3.911 4.190 . 0 0 "[ . 1 . 2]" 1
1399 1 61 THR HB 1 62 ASP HB2 . . 6.000 4.278 4.088 4.496 . 0 0 "[ . 1 . 2]" 1
1400 1 61 THR MG 1 62 ASP H . . 4.620 3.742 3.554 3.838 . 0 0 "[ . 1 . 2]" 1
1401 1 61 THR MG 1 70 SER HB2 . . 7.030 5.040 4.720 5.313 . 0 0 "[ . 1 . 2]" 1
1402 1 61 THR MG 1 70 SER HB3 . . 6.810 3.682 3.234 4.035 . 0 0 "[ . 1 . 2]" 1
1403 1 61 THR MG 1 71 PHE HA . . 4.510 2.917 2.423 3.209 . 0 0 "[ . 1 . 2]" 1
1404 1 61 THR MG 1 72 THR H . . 4.150 2.950 2.670 3.087 . 0 0 "[ . 1 . 2]" 1
1405 1 61 THR MG 1 72 THR HB . . 5.620 4.209 4.021 4.390 . 0 0 "[ . 1 . 2]" 1
1406 1 61 THR MG 1 72 THR MG . . 4.640 1.809 1.680 1.966 . 0 0 "[ . 1 . 2]" 1
1407 1 62 ASP H 1 62 ASP HB2 . . 3.660 2.837 2.744 2.911 . 0 0 "[ . 1 . 2]" 1
1408 1 62 ASP H 1 62 ASP HB3 . . 3.730 3.475 3.233 3.591 . 0 0 "[ . 1 . 2]" 1
1409 1 62 ASP H 1 63 VAL H . . 4.200 4.179 4.112 4.213 0.013 2 0 "[ . 1 . 2]" 1
1410 1 62 ASP H 1 63 VAL HB . . 4.990 4.096 4.008 4.189 . 0 0 "[ . 1 . 2]" 1
1411 1 62 ASP H 1 63 VAL MG1 . . 6.490 3.921 3.670 4.393 . 0 0 "[ . 1 . 2]" 1
1412 1 62 ASP H 1 69 LEU HA . . 6.000 4.765 4.586 5.011 . 0 0 "[ . 1 . 2]" 1
1413 1 62 ASP H 1 70 SER H . . 3.550 3.159 3.016 3.302 . 0 0 "[ . 1 . 2]" 1
1414 1 62 ASP H 1 70 SER HA . . 5.320 5.033 4.794 5.175 . 0 0 "[ . 1 . 2]" 1
1415 1 62 ASP H 1 70 SER HB2 . . 4.450 4.299 4.021 4.453 0.003 20 0 "[ . 1 . 2]" 1
1416 1 62 ASP H 1 70 SER HB3 . . 3.950 2.916 2.499 3.169 . 0 0 "[ . 1 . 2]" 1
1417 1 62 ASP H 1 71 PHE H . . 5.570 5.382 5.129 5.505 . 0 0 "[ . 1 . 2]" 1
1418 1 62 ASP H 1 71 PHE HA . . 4.780 4.361 4.120 4.491 . 0 0 "[ . 1 . 2]" 1
1419 1 62 ASP HA 1 63 VAL H . . 2.580 2.295 2.281 2.323 . 0 0 "[ . 1 . 2]" 1
1420 1 62 ASP HA 1 63 VAL HA . . 5.570 4.488 4.475 4.511 . 0 0 "[ . 1 . 2]" 1
1421 1 62 ASP HA 1 63 VAL HB . . 5.890 4.621 4.513 4.741 . 0 0 "[ . 1 . 2]" 1
1422 1 62 ASP HB2 1 63 VAL H . . 4.450 4.458 4.383 4.491 0.041 5 0 "[ . 1 . 2]" 1
1423 1 62 ASP HB2 1 68 LYS QD . . 6.840 5.015 2.895 5.718 . 0 0 "[ . 1 . 2]" 1
1424 1 62 ASP HB2 1 68 LYS HG2 . . 5.860 4.160 3.723 5.477 . 0 0 "[ . 1 . 2]" 1
1425 1 62 ASP HB2 1 68 LYS QG . . 5.470 3.872 3.549 4.924 . 0 0 "[ . 1 . 2]" 1
1426 1 62 ASP HB2 1 68 LYS HG3 . . 5.860 4.672 3.992 5.580 . 0 0 "[ . 1 . 2]" 1
1427 1 62 ASP HB2 1 70 SER H . . 4.780 4.099 3.754 4.538 . 0 0 "[ . 1 . 2]" 1
1428 1 62 ASP HB2 1 70 SER HB2 . . 3.880 3.578 3.073 3.869 . 0 0 "[ . 1 . 2]" 1
1429 1 62 ASP HB2 1 70 SER HB3 . . 3.800 2.981 2.382 3.443 . 0 0 "[ . 1 . 2]" 1
1430 1 62 ASP HB3 1 63 VAL H . . 3.980 3.483 3.293 3.736 . 0 0 "[ . 1 . 2]" 1
1431 1 62 ASP HB3 1 68 LYS QD . . 6.380 4.283 1.858 5.094 . 0 0 "[ . 1 . 2]" 1
1432 1 62 ASP HB3 1 68 LYS HE2 . . 5.820 3.751 2.071 5.105 . 0 0 "[ . 1 . 2]" 1
1433 1 62 ASP HB3 1 68 LYS QE . . 5.470 3.327 2.058 4.172 . 0 0 "[ . 1 . 2]" 1
1434 1 62 ASP HB3 1 68 LYS HE3 . . 5.820 4.208 2.886 5.164 . 0 0 "[ . 1 . 2]" 1
1435 1 62 ASP HB3 1 68 LYS HG2 . . 6.000 2.936 2.424 4.494 . 0 0 "[ . 1 . 2]" 1
1436 1 62 ASP HB3 1 68 LYS QG . . 5.500 2.778 2.403 4.049 . 0 0 "[ . 1 . 2]" 1
1437 1 62 ASP HB3 1 68 LYS HG3 . . 6.000 3.587 2.693 4.613 . 0 0 "[ . 1 . 2]" 1
1438 1 62 ASP HB3 1 70 SER H . . 4.340 3.717 3.472 3.945 . 0 0 "[ . 1 . 2]" 1
1439 1 62 ASP HB3 1 70 SER HB2 . . 4.490 3.943 3.243 4.444 . 0 0 "[ . 1 . 2]" 1
1440 1 62 ASP HB3 1 70 SER HB3 . . 3.950 3.864 3.325 3.954 0.004 16 0 "[ . 1 . 2]" 1
1441 1 63 VAL H 1 63 VAL HB . . 3.520 3.519 3.409 3.558 0.038 7 0 "[ . 1 . 2]" 1
1442 1 63 VAL H 1 63 VAL MG1 . . 4.150 2.428 2.268 2.542 . 0 0 "[ . 1 . 2]" 1
1443 1 63 VAL H 1 64 GLU H . . 5.030 3.758 3.700 3.863 . 0 0 "[ . 1 . 2]" 1
1444 1 63 VAL H 1 69 LEU HA . . 5.140 4.740 4.542 4.909 . 0 0 "[ . 1 . 2]" 1
1445 1 63 VAL HA 1 63 VAL MG2 . . 3.640 2.359 2.268 2.506 . 0 0 "[ . 1 . 2]" 1
1446 1 63 VAL HA 1 64 GLU H . . 2.650 2.195 2.188 2.200 . 0 0 "[ . 1 . 2]" 1
1447 1 63 VAL HA 1 69 LEU HA . . 3.260 2.515 2.382 2.693 . 0 0 "[ . 1 . 2]" 1
1448 1 63 VAL HA 1 69 LEU QB . . 5.330 3.587 3.376 3.856 . 0 0 "[ . 1 . 2]" 1
1449 1 63 VAL HA 1 69 LEU MD1 . . 4.940 2.124 1.973 2.400 . 0 0 "[ . 1 . 2]" 1
1450 1 63 VAL HA 1 69 LEU HG . . 6.000 4.452 4.249 4.758 . 0 0 "[ . 1 . 2]" 1
1451 1 63 VAL HA 1 70 SER H . . 4.270 3.737 3.499 3.961 . 0 0 "[ . 1 . 2]" 1
1452 1 63 VAL HB 1 64 GLU H . . 4.670 4.418 4.332 4.483 . 0 0 "[ . 1 . 2]" 1
1453 1 63 VAL HB 1 69 LEU MD1 . . 5.550 1.993 1.877 2.295 . 0 0 "[ . 1 . 2]" 1
1454 1 63 VAL MG1 1 64 GLU H . . 5.340 4.291 4.236 4.337 . 0 0 "[ . 1 . 2]" 1
1455 1 63 VAL MG1 1 69 LEU HA . . 7.030 4.822 4.629 5.057 . 0 0 "[ . 1 . 2]" 1
1456 1 63 VAL MG1 1 69 LEU HG . . 7.030 5.354 5.154 5.700 . 0 0 "[ . 1 . 2]" 1
1457 1 63 VAL MG1 1 70 SER H . . 6.450 4.699 4.533 5.028 . 0 0 "[ . 1 . 2]" 1
1458 1 63 VAL MG2 1 64 GLU H . . 4.110 3.054 2.995 3.103 . 0 0 "[ . 1 . 2]" 1
1459 1 63 VAL MG2 1 64 GLU HA . . 7.030 3.584 3.329 3.723 . 0 0 "[ . 1 . 2]" 1
1460 1 63 VAL MG2 1 69 LEU HA . . 6.020 3.776 3.538 3.913 . 0 0 "[ . 1 . 2]" 1
1461 1 63 VAL MG2 1 70 SER H . . 5.550 4.555 4.484 4.588 . 0 0 "[ . 1 . 2]" 1
1462 1 64 GLU H 1 64 GLU HB2 . . 4.090 3.370 3.337 3.419 . 0 0 "[ . 1 . 2]" 1
1463 1 64 GLU H 1 64 GLU HB3 . . 3.980 2.975 2.933 3.004 . 0 0 "[ . 1 . 2]" 1
1464 1 64 GLU H 1 64 GLU HG2 . . 5.140 4.882 4.782 5.098 . 0 0 "[ . 1 . 2]" 1
1465 1 64 GLU H 1 64 GLU QG . . 5.010 4.139 4.103 4.183 . 0 0 "[ . 1 . 2]" 1
1466 1 64 GLU H 1 64 GLU HG3 . . 5.140 4.473 4.445 4.508 . 0 0 "[ . 1 . 2]" 1
1467 1 64 GLU H 1 65 ARG H . . 4.270 3.795 3.771 3.832 . 0 0 "[ . 1 . 2]" 1
1468 1 64 GLU H 1 68 LYS H . . 4.670 3.641 3.501 3.752 . 0 0 "[ . 1 . 2]" 1
1469 1 64 GLU H 1 68 LYS HB3 . . 4.850 4.147 3.639 4.505 . 0 0 "[ . 1 . 2]" 1
1470 1 64 GLU H 1 69 LEU HA . . 4.310 3.884 3.691 4.160 . 0 0 "[ . 1 . 2]" 1
1471 1 64 GLU H 1 69 LEU QB . . 5.620 4.100 3.886 4.480 . 0 0 "[ . 1 . 2]" 1
1472 1 64 GLU H 1 69 LEU MD1 . . 6.020 3.541 3.299 3.836 . 0 0 "[ . 1 . 2]" 1
1473 1 64 GLU HA 1 64 GLU HG2 . . 3.770 3.688 3.612 3.783 0.013 18 0 "[ . 1 . 2]" 1
1474 1 64 GLU HA 1 64 GLU QG . . 3.560 2.458 2.347 2.982 . 0 0 "[ . 1 . 2]" 1
1475 1 64 GLU HA 1 64 GLU HG3 . . 3.770 2.499 2.378 3.121 . 0 0 "[ . 1 . 2]" 1
1476 1 64 GLU HA 1 65 ARG H . . 3.010 2.219 2.213 2.223 . 0 0 "[ . 1 . 2]" 1
1477 1 64 GLU HA 1 65 ARG QB . . 5.690 4.077 4.032 4.136 . 0 0 "[ . 1 . 2]" 1
1478 1 64 GLU HB2 1 65 ARG H . . 6.000 4.536 4.508 4.557 . 0 0 "[ . 1 . 2]" 1
1479 1 64 GLU HB3 1 65 ARG H . . 4.600 4.470 4.445 4.507 . 0 0 "[ . 1 . 2]" 1
1480 1 64 GLU HB3 1 67 ILE MD . . 5.010 2.993 2.756 3.344 . 0 0 "[ . 1 . 2]" 1
1481 1 64 GLU HB3 1 67 ILE HG12 . . 6.000 4.735 4.542 4.873 . 0 0 "[ . 1 . 2]" 1
1482 1 64 GLU HB3 1 67 ILE QG . . 5.320 4.040 3.839 4.133 . 0 0 "[ . 1 . 2]" 1
1483 1 64 GLU HB3 1 67 ILE HG13 . . 6.000 4.383 4.141 4.487 . 0 0 "[ . 1 . 2]" 1
1484 1 64 GLU QG 1 65 ARG H . . 4.880 3.091 3.008 3.575 . 0 0 "[ . 1 . 2]" 1
1485 1 64 GLU QG 1 67 ILE H . . 6.880 5.870 5.613 6.000 . 0 0 "[ . 1 . 2]" 1
1486 1 64 GLU QG 1 67 ILE MD . . 6.100 3.504 3.195 3.779 . 0 0 "[ . 1 . 2]" 1
1487 1 64 GLU HG2 1 65 ARG H . . 5.390 4.636 4.503 5.029 . 0 0 "[ . 1 . 2]" 1
1488 1 64 GLU HG2 1 67 ILE MD . . 6.340 3.698 3.300 4.297 . 0 0 "[ . 1 . 2]" 1
1489 1 64 GLU HG3 1 65 ARG H . . 5.390 3.139 3.052 3.658 . 0 0 "[ . 1 . 2]" 1
1490 1 64 GLU HG3 1 67 ILE MD . . 6.340 4.422 3.758 4.640 . 0 0 "[ . 1 . 2]" 1
1491 1 65 ARG H 1 65 ARG HB2 . . 4.090 3.193 3.123 3.272 . 0 0 "[ . 1 . 2]" 1
1492 1 65 ARG H 1 65 ARG QB . . 3.710 3.080 3.020 3.145 . 0 0 "[ . 1 . 2]" 1
1493 1 65 ARG H 1 65 ARG HB3 . . 4.090 4.047 4.012 4.074 . 0 0 "[ . 1 . 2]" 1
1494 1 65 ARG H 1 65 ARG HD2 . . 6.000 4.888 3.680 5.601 . 0 0 "[ . 1 . 2]" 1
1495 1 65 ARG H 1 65 ARG HD3 . . 6.000 4.677 3.176 5.937 . 0 0 "[ . 1 . 2]" 1
1496 1 65 ARG HA 1 65 ARG HG2 . . 3.950 2.659 2.010 3.450 . 0 0 "[ . 1 . 2]" 1
1497 1 65 ARG HA 1 65 ARG QG . . 3.710 2.026 1.985 2.079 . 0 0 "[ . 1 . 2]" 1
1498 1 65 ARG HA 1 65 ARG HG3 . . 3.950 2.590 2.021 3.118 . 0 0 "[ . 1 . 2]" 1
1499 1 65 ARG HA 1 67 ILE H . . 4.780 4.750 4.469 4.849 0.069 15 0 "[ . 1 . 2]" 1
1500 1 65 ARG HA 1 68 LYS H . . 6.000 5.801 5.680 5.911 . 0 0 "[ . 1 . 2]" 1
1501 1 66 PRO HD2 1 67 ILE MG . . 4.830 3.507 3.310 3.645 . 0 0 "[ . 1 . 2]" 1
1502 1 66 PRO HD3 1 67 ILE MG . . 6.240 4.868 4.663 4.963 . 0 0 "[ . 1 . 2]" 1
1503 1 66 PRO QG 1 67 ILE MG . . 6.830 3.904 3.761 3.988 . 0 0 "[ . 1 . 2]" 1
1504 1 67 ILE H 1 67 ILE MD . . 4.440 3.275 2.940 3.616 . 0 0 "[ . 1 . 2]" 1
1505 1 67 ILE H 1 67 ILE HG12 . . 4.060 3.610 3.166 3.757 . 0 0 "[ . 1 . 2]" 1
1506 1 67 ILE H 1 67 ILE QG . . 3.610 2.020 1.919 2.113 . 0 0 "[ . 1 . 2]" 1
1507 1 67 ILE H 1 67 ILE HG13 . . 4.060 2.031 1.932 2.126 . 0 0 "[ . 1 . 2]" 1
1508 1 67 ILE H 1 67 ILE MG . . 4.180 3.340 3.032 3.419 . 0 0 "[ . 1 . 2]" 1
1509 1 67 ILE H 1 68 LYS H . . 2.690 1.883 1.815 1.914 . 0 0 "[ . 1 . 2]" 1
1510 1 67 ILE H 1 84 LEU H . . 5.460 4.086 3.873 4.357 . 0 0 "[ . 1 . 2]" 1
1511 1 67 ILE H 1 84 LEU HB3 . . 6.000 5.342 5.123 5.559 . 0 0 "[ . 1 . 2]" 1
1512 1 67 ILE H 1 84 LEU MD1 . . 7.030 4.302 3.766 4.724 . 0 0 "[ . 1 . 2]" 1
1513 1 67 ILE HA 1 67 ILE HB . . 3.010 2.539 2.490 2.566 . 0 0 "[ . 1 . 2]" 1
1514 1 67 ILE HA 1 84 LEU H . . 3.620 3.065 2.898 3.334 . 0 0 "[ . 1 . 2]" 1
1515 1 67 ILE HA 1 84 LEU HB2 . . 4.420 3.757 3.534 3.955 . 0 0 "[ . 1 . 2]" 1
1516 1 67 ILE HA 1 84 LEU HB3 . . 5.210 4.669 4.423 4.885 . 0 0 "[ . 1 . 2]" 1
1517 1 67 ILE HA 1 84 LEU MD1 . . 6.270 4.870 4.404 5.106 . 0 0 "[ . 1 . 2]" 1
1518 1 67 ILE HB 1 67 ILE MD . . 3.640 2.030 1.945 2.147 . 0 0 "[ . 1 . 2]" 1
1519 1 67 ILE HB 1 68 LYS H . . 4.340 3.555 3.487 3.796 . 0 0 "[ . 1 . 2]" 1
1520 1 67 ILE HB 1 84 LEU H . . 5.750 5.295 5.202 5.406 . 0 0 "[ . 1 . 2]" 1
1521 1 67 ILE MD 1 68 LYS H . . 5.300 2.105 1.890 2.860 . 0 0 "[ . 1 . 2]" 1
1522 1 67 ILE MD 1 68 LYS HB3 . . 6.340 2.059 1.922 2.390 . 0 0 "[ . 1 . 2]" 1
1523 1 67 ILE QG 1 68 LYS H . . 4.200 2.142 1.912 2.414 . 0 0 "[ . 1 . 2]" 1
1524 1 67 ILE QG 1 68 LYS HB2 . . 5.240 4.405 3.979 4.655 . 0 0 "[ . 1 . 2]" 1
1525 1 67 ILE QG 1 68 LYS HB3 . . 6.480 3.915 3.435 4.201 . 0 0 "[ . 1 . 2]" 1
1526 1 67 ILE HG12 1 68 LYS H . . 4.450 3.690 3.625 3.831 . 0 0 "[ . 1 . 2]" 1
1527 1 67 ILE HG12 1 68 LYS HB2 . . 6.000 5.368 4.973 5.646 . 0 0 "[ . 1 . 2]" 1
1528 1 67 ILE HG13 1 68 LYS H . . 4.450 2.157 1.918 2.440 . 0 0 "[ . 1 . 2]" 1
1529 1 67 ILE HG13 1 68 LYS HB2 . . 6.000 4.689 4.182 5.043 . 0 0 "[ . 1 . 2]" 1
1530 1 67 ILE MG 1 68 LYS H . . 5.770 4.082 4.035 4.130 . 0 0 "[ . 1 . 2]" 1
1531 1 67 ILE MG 1 84 LEU H . . 7.030 4.688 4.469 4.980 . 0 0 "[ . 1 . 2]" 1
1532 1 67 ILE MG 1 84 LEU HB3 . . 6.380 5.076 4.924 5.147 . 0 0 "[ . 1 . 2]" 1
1533 1 67 ILE MG 1 85 LYS HA . . 6.270 3.677 3.449 3.963 . 0 0 "[ . 1 . 2]" 1
1534 1 67 ILE MG 1 85 LYS HB3 . . 5.660 4.129 3.767 4.471 . 0 0 "[ . 1 . 2]" 1
1535 1 68 LYS H 1 68 LYS HB2 . . 4.020 3.325 3.002 3.507 . 0 0 "[ . 1 . 2]" 1
1536 1 68 LYS H 1 68 LYS HB3 . . 3.800 2.787 2.698 2.918 . 0 0 "[ . 1 . 2]" 1
1537 1 68 LYS H 1 68 LYS HD2 . . 6.000 5.587 5.241 6.020 0.020 11 0 "[ . 1 . 2]" 1
1538 1 68 LYS H 1 68 LYS HD3 . . 6.000 5.385 4.479 5.925 . 0 0 "[ . 1 . 2]" 1
1539 1 68 LYS H 1 68 LYS QE . . 6.880 6.042 5.636 6.183 . 0 0 "[ . 1 . 2]" 1
1540 1 68 LYS H 1 68 LYS HG2 . . 5.600 4.615 4.423 4.818 . 0 0 "[ . 1 . 2]" 1
1541 1 68 LYS H 1 68 LYS QG . . 4.930 4.036 3.944 4.239 . 0 0 "[ . 1 . 2]" 1
1542 1 68 LYS H 1 68 LYS HG3 . . 5.600 4.474 4.287 5.026 . 0 0 "[ . 1 . 2]" 1
1543 1 68 LYS H 1 69 LEU H . . 4.920 4.189 3.969 4.359 . 0 0 "[ . 1 . 2]" 1
1544 1 68 LYS H 1 84 LEU H . . 4.700 4.692 4.503 4.713 0.013 5 0 "[ . 1 . 2]" 1
1545 1 68 LYS HA 1 68 LYS HG2 . . 4.160 3.525 2.136 3.827 . 0 0 "[ . 1 . 2]" 1
1546 1 68 LYS HA 1 68 LYS QG . . 3.750 2.453 2.113 2.757 . 0 0 "[ . 1 . 2]" 1
1547 1 68 LYS HA 1 68 LYS HG3 . . 4.160 2.615 2.342 3.378 . 0 0 "[ . 1 . 2]" 1
1548 1 68 LYS HA 1 69 LEU H . . 2.720 2.195 2.176 2.257 . 0 0 "[ . 1 . 2]" 1
1549 1 68 LYS HA 1 81 THR MG . . 7.030 4.332 4.074 4.652 . 0 0 "[ . 1 . 2]" 1
1550 1 68 LYS HA 1 83 HIS HA . . 3.300 3.195 2.954 3.300 0.000 7 0 "[ . 1 . 2]" 1
1551 1 68 LYS HA 1 84 LEU H . . 5.350 4.185 3.788 4.426 . 0 0 "[ . 1 . 2]" 1
1552 1 68 LYS HA 1 84 LEU MD1 . . 7.030 5.105 4.714 5.438 . 0 0 "[ . 1 . 2]" 1
1553 1 68 LYS HB2 1 68 LYS HD2 . . 3.660 2.775 2.035 3.652 . 0 0 "[ . 1 . 2]" 1
1554 1 68 LYS HB2 1 68 LYS HD3 . . 3.660 2.471 1.979 3.573 . 0 0 "[ . 1 . 2]" 1
1555 1 68 LYS HB2 1 68 LYS HE2 . . 5.640 4.362 3.669 5.460 . 0 0 "[ . 1 . 2]" 1
1556 1 68 LYS HB2 1 68 LYS HE3 . . 5.640 4.395 3.861 4.708 . 0 0 "[ . 1 . 2]" 1
1557 1 68 LYS HB2 1 69 LEU H . . 5.030 4.286 4.102 4.396 . 0 0 "[ . 1 . 2]" 1
1558 1 68 LYS HB3 1 68 LYS HE2 . . 5.320 4.387 3.713 5.025 . 0 0 "[ . 1 . 2]" 1
1559 1 68 LYS HB3 1 68 LYS QE . . 4.760 3.981 3.605 4.293 . 0 0 "[ . 1 . 2]" 1
1560 1 68 LYS HB3 1 68 LYS HE3 . . 5.320 4.726 4.220 5.090 . 0 0 "[ . 1 . 2]" 1
1561 1 68 LYS HB3 1 69 LEU H . . 4.670 4.342 4.011 4.497 . 0 0 "[ . 1 . 2]" 1
1562 1 68 LYS QD 1 81 THR MG . . 5.620 3.616 2.914 4.265 . 0 0 "[ . 1 . 2]" 1
1563 1 68 LYS HD2 1 69 LEU H . . 6.000 4.341 2.952 4.956 . 0 0 "[ . 1 . 2]" 1
1564 1 68 LYS HD2 1 81 THR MG . . 5.880 3.810 2.958 4.951 . 0 0 "[ . 1 . 2]" 1
1565 1 68 LYS HD3 1 69 LEU H . . 6.000 5.008 3.201 5.652 . 0 0 "[ . 1 . 2]" 1
1566 1 68 LYS HD3 1 81 THR MG . . 5.880 4.786 4.378 4.954 . 0 0 "[ . 1 . 2]" 1
1567 1 68 LYS QE 1 81 THR MG . . 5.360 3.135 2.343 3.906 . 0 0 "[ . 1 . 2]" 1
1568 1 68 LYS HE2 1 81 THR MG . . 5.770 4.163 2.639 4.825 . 0 0 "[ . 1 . 2]" 1
1569 1 68 LYS HE3 1 81 THR MG . . 5.770 3.278 2.425 4.482 . 0 0 "[ . 1 . 2]" 1
1570 1 68 LYS QG 1 69 LEU H . . 4.180 2.602 2.219 2.868 . 0 0 "[ . 1 . 2]" 1
1571 1 68 LYS QG 1 81 THR MG . . 5.710 3.360 3.015 3.914 . 0 0 "[ . 1 . 2]" 1
1572 1 68 LYS HG2 1 69 LEU H . . 4.340 3.979 2.652 4.354 0.014 7 0 "[ . 1 . 2]" 1
1573 1 68 LYS HG3 1 69 LEU H . . 4.340 2.796 2.234 4.313 . 0 0 "[ . 1 . 2]" 1
1574 1 69 LEU H 1 69 LEU HB2 . . 4.060 3.282 3.173 3.393 . 0 0 "[ . 1 . 2]" 1
1575 1 69 LEU H 1 69 LEU QB . . 3.850 2.699 2.553 2.820 . 0 0 "[ . 1 . 2]" 1
1576 1 69 LEU H 1 69 LEU HB3 . . 4.060 2.874 2.666 3.065 . 0 0 "[ . 1 . 2]" 1
1577 1 69 LEU H 1 69 LEU MD1 . . 5.660 4.458 4.412 4.524 . 0 0 "[ . 1 . 2]" 1
1578 1 69 LEU H 1 70 SER H . . 5.680 4.192 4.043 4.310 . 0 0 "[ . 1 . 2]" 1
1579 1 69 LEU H 1 81 THR HA . . 6.000 5.026 4.721 5.286 . 0 0 "[ . 1 . 2]" 1
1580 1 69 LEU H 1 81 THR MG . . 4.940 3.278 3.000 3.636 . 0 0 "[ . 1 . 2]" 1
1581 1 69 LEU H 1 82 PHE H . . 3.590 3.431 3.240 3.599 0.009 12 0 "[ . 1 . 2]" 1
1582 1 69 LEU H 1 82 PHE QB . . 5.220 3.538 3.056 3.927 . 0 0 "[ . 1 . 2]" 1
1583 1 69 LEU H 1 83 HIS HA . . 4.340 3.688 3.412 3.996 . 0 0 "[ . 1 . 2]" 1
1584 1 69 LEU HA 1 69 LEU MD1 . . 3.820 2.209 2.071 2.413 . 0 0 "[ . 1 . 2]" 1
1585 1 69 LEU HA 1 69 LEU HG . . 3.910 2.890 2.789 3.019 . 0 0 "[ . 1 . 2]" 1
1586 1 69 LEU HA 1 70 SER H . . 2.720 2.201 2.182 2.245 . 0 0 "[ . 1 . 2]" 1
1587 1 69 LEU QB 1 70 SER H . . 4.290 3.801 3.696 3.869 . 0 0 "[ . 1 . 2]" 1
1588 1 69 LEU QB 1 82 PHE QB . . 6.540 1.991 1.960 2.075 . 0 0 "[ . 1 . 2]" 1
1589 1 69 LEU HB2 1 70 SER H . . 4.450 4.302 4.194 4.383 . 0 0 "[ . 1 . 2]" 1
1590 1 69 LEU HB2 1 82 PHE QB . . 6.880 3.612 3.534 3.706 . 0 0 "[ . 1 . 2]" 1
1591 1 69 LEU HB2 1 82 PHE QD . . 8.120 4.659 4.381 4.939 . 0 0 "[ . 1 . 2]" 1
1592 1 69 LEU HB3 1 70 SER H . . 4.450 4.236 4.100 4.352 . 0 0 "[ . 1 . 2]" 1
1593 1 69 LEU HB3 1 82 PHE QB . . 6.880 2.000 1.969 2.086 . 0 0 "[ . 1 . 2]" 1
1594 1 69 LEU HB3 1 82 PHE QD . . 8.120 3.253 2.826 3.585 . 0 0 "[ . 1 . 2]" 1
1595 1 69 LEU MD1 1 70 SER H . . 4.040 3.003 2.753 3.183 . 0 0 "[ . 1 . 2]" 1
1596 1 69 LEU MD1 1 71 PHE QD . . 9.150 5.020 4.553 5.386 . 0 0 "[ . 1 . 2]" 1
1597 1 69 LEU MD2 1 70 SER H . . 5.480 4.441 4.161 4.606 . 0 0 "[ . 1 . 2]" 1
1598 1 69 LEU MD2 1 70 SER HA . . 7.030 4.808 4.537 4.989 . 0 0 "[ . 1 . 2]" 1
1599 1 69 LEU MD2 1 71 PHE QD . . 7.310 4.089 3.750 4.413 . 0 0 "[ . 1 . 2]" 1
1600 1 69 LEU MD2 1 82 PHE H . . 7.030 4.278 4.033 4.478 . 0 0 "[ . 1 . 2]" 1
1601 1 69 LEU MD2 1 82 PHE QB . . 7.900 2.492 2.268 2.728 . 0 0 "[ . 1 . 2]" 1
1602 1 69 LEU MD2 1 82 PHE QD . . 7.210 2.133 1.874 2.412 . 0 0 "[ . 1 . 2]" 1
1603 1 69 LEU MD2 1 82 PHE QE . . 8.030 3.517 3.173 3.827 . 0 0 "[ . 1 . 2]" 1
1604 1 69 LEU HG 1 70 SER H . . 3.660 2.874 2.510 3.105 . 0 0 "[ . 1 . 2]" 1
1605 1 69 LEU HG 1 71 PHE QD . . 8.120 4.045 3.732 4.301 . 0 0 "[ . 1 . 2]" 1
1606 1 70 SER H 1 70 SER HB2 . . 3.370 3.112 2.954 3.238 . 0 0 "[ . 1 . 2]" 1
1607 1 70 SER H 1 70 SER HB3 . . 3.370 2.957 2.658 3.109 . 0 0 "[ . 1 . 2]" 1
1608 1 70 SER H 1 71 PHE H . . 4.920 4.383 4.340 4.415 . 0 0 "[ . 1 . 2]" 1
1609 1 70 SER H 1 81 THR MG . . 5.520 4.135 3.821 4.394 . 0 0 "[ . 1 . 2]" 1
1610 1 70 SER HA 1 71 PHE H . . 2.690 2.379 2.326 2.431 . 0 0 "[ . 1 . 2]" 1
1611 1 70 SER HA 1 80 VAL H . . 6.000 5.425 5.053 5.825 . 0 0 "[ . 1 . 2]" 1
1612 1 70 SER HA 1 81 THR HA . . 3.160 2.292 2.154 2.409 . 0 0 "[ . 1 . 2]" 1
1613 1 70 SER HA 1 81 THR MG . . 6.200 2.818 2.388 3.092 . 0 0 "[ . 1 . 2]" 1
1614 1 70 SER HA 1 82 PHE H . . 3.880 2.933 2.688 3.224 . 0 0 "[ . 1 . 2]" 1
1615 1 70 SER HB2 1 71 PHE H . . 4.450 4.151 4.027 4.225 . 0 0 "[ . 1 . 2]" 1
1616 1 70 SER HB2 1 81 THR HA . . 4.020 3.537 3.256 3.802 . 0 0 "[ . 1 . 2]" 1
1617 1 70 SER HB2 1 81 THR MG . . 4.470 2.025 1.917 2.125 . 0 0 "[ . 1 . 2]" 1
1618 1 70 SER HB3 1 71 PHE H . . 4.340 3.699 3.476 4.054 . 0 0 "[ . 1 . 2]" 1
1619 1 70 SER HB3 1 81 THR HA . . 4.920 4.612 4.316 4.905 . 0 0 "[ . 1 . 2]" 1
1620 1 70 SER HB3 1 81 THR MG . . 4.540 3.457 3.326 3.594 . 0 0 "[ . 1 . 2]" 1
1621 1 71 PHE H 1 72 THR H . . 4.740 4.238 4.142 4.289 . 0 0 "[ . 1 . 2]" 1
1622 1 71 PHE H 1 72 THR MG . . 6.810 4.353 4.006 4.565 . 0 0 "[ . 1 . 2]" 1
1623 1 71 PHE H 1 81 THR HA . . 3.880 3.594 3.236 3.758 . 0 0 "[ . 1 . 2]" 1
1624 1 71 PHE H 1 81 THR MG . . 5.730 4.466 4.165 4.634 . 0 0 "[ . 1 . 2]" 1
1625 1 71 PHE HA 1 72 THR H . . 2.760 2.251 2.209 2.286 . 0 0 "[ . 1 . 2]" 1
1626 1 71 PHE HB2 1 72 THR H . . 3.980 3.252 3.129 3.412 . 0 0 "[ . 1 . 2]" 1
1627 1 71 PHE HB3 1 72 THR H . . 4.340 4.339 4.287 4.373 0.033 8 0 "[ . 1 . 2]" 1
1628 1 71 PHE QD 1 72 THR H . . 8.120 3.698 3.192 4.501 . 0 0 "[ . 1 . 2]" 1
1629 1 71 PHE QE 1 80 VAL MG1 . . 7.670 2.110 1.904 2.383 . 0 0 "[ . 1 . 2]" 1
1630 1 71 PHE QE 1 80 VAL MG2 . . 8.430 3.072 2.067 3.726 . 0 0 "[ . 1 . 2]" 1
1631 1 72 THR H 1 72 THR HB . . 3.660 3.553 3.527 3.587 . 0 0 "[ . 1 . 2]" 1
1632 1 72 THR H 1 72 THR MG . . 3.680 2.271 1.975 2.507 . 0 0 "[ . 1 . 2]" 1
1633 1 72 THR H 1 73 TRP H . . 5.890 4.611 4.564 4.624 . 0 0 "[ . 1 . 2]" 1
1634 1 72 THR HA 1 73 TRP H . . 3.300 2.291 2.190 2.366 . 0 0 "[ . 1 . 2]" 1
1635 1 72 THR HA 1 79 SER HA . . 3.190 3.108 2.821 3.193 0.003 4 0 "[ . 1 . 2]" 1
1636 1 72 THR HA 1 80 VAL H . . 3.980 3.912 3.555 3.986 0.006 16 0 "[ . 1 . 2]" 1
1637 1 72 THR HB 1 73 TRP H . . 3.620 2.959 2.741 3.302 . 0 0 "[ . 1 . 2]" 1
1638 1 72 THR HB 1 79 SER HA . . 5.210 4.916 4.446 5.147 . 0 0 "[ . 1 . 2]" 1
1639 1 72 THR MG 1 73 TRP H . . 5.300 4.038 3.829 4.217 . 0 0 "[ . 1 . 2]" 1
1640 1 72 THR MG 1 79 SER HA . . 5.950 4.410 4.103 4.674 . 0 0 "[ . 1 . 2]" 1
1641 1 72 THR MG 1 79 SER HB2 . . 5.840 4.400 3.423 4.702 . 0 0 "[ . 1 . 2]" 1
1642 1 72 THR MG 1 79 SER QB . . 5.270 3.098 2.510 3.465 . 0 0 "[ . 1 . 2]" 1
1643 1 72 THR MG 1 79 SER HB3 . . 5.840 3.167 2.582 3.568 . 0 0 "[ . 1 . 2]" 1
1644 1 72 THR MG 1 80 VAL H . . 7.030 5.046 4.640 5.359 . 0 0 "[ . 1 . 2]" 1
1645 1 73 TRP H 1 73 TRP HB2 . . 4.090 3.203 2.740 3.488 . 0 0 "[ . 1 . 2]" 1
1646 1 73 TRP H 1 73 TRP HB3 . . 3.700 2.751 2.516 2.921 . 0 0 "[ . 1 . 2]" 1
1647 1 73 TRP H 1 74 ASP H . . 6.000 4.269 4.130 4.477 . 0 0 "[ . 1 . 2]" 1
1648 1 73 TRP H 1 79 SER HA . . 3.620 3.402 2.966 3.618 . 0 0 "[ . 1 . 2]" 1
1649 1 73 TRP H 1 80 VAL MG1 . . 7.030 4.904 4.274 5.253 . 0 0 "[ . 1 . 2]" 1
1650 1 73 TRP HA 1 74 ASP H . . 3.370 2.229 2.218 2.257 . 0 0 "[ . 1 . 2]" 1
1651 1 73 TRP HB2 1 74 ASP H . . 6.000 4.272 4.114 4.453 . 0 0 "[ . 1 . 2]" 1
1652 1 73 TRP HB2 1 80 VAL MG1 . . 5.370 4.123 3.664 4.469 . 0 0 "[ . 1 . 2]" 1
1653 1 73 TRP HB3 1 74 ASP H . . 6.000 4.251 4.072 4.376 . 0 0 "[ . 1 . 2]" 1
1654 1 73 TRP HB3 1 80 VAL MG1 . . 6.960 4.209 3.446 5.140 . 0 0 "[ . 1 . 2]" 1
1655 1 73 TRP HD1 1 74 ASP H . . 4.240 2.045 1.913 2.498 . 0 0 "[ . 1 . 2]" 1
1656 1 73 TRP HD1 1 74 ASP HB2 . . 5.680 3.713 2.007 4.779 . 0 0 "[ . 1 . 2]" 1
1657 1 73 TRP HD1 1 74 ASP QB . . 5.560 3.530 1.976 4.403 . 0 0 "[ . 1 . 2]" 1
1658 1 73 TRP HD1 1 74 ASP HB3 . . 5.680 4.648 2.487 5.515 . 0 0 "[ . 1 . 2]" 1
1659 1 73 TRP HE1 1 74 ASP QB . . 6.880 4.492 3.417 5.557 . 0 0 "[ . 1 . 2]" 1
1660 1 74 ASP H 1 75 THR H . . 6.000 4.241 2.779 4.600 . 0 0 "[ . 1 . 2]" 1
1661 1 74 ASP QB 1 75 THR H . . 3.700 2.705 2.156 3.294 . 0 0 "[ . 1 . 2]" 1
1662 1 74 ASP QB 1 76 ASP H . . 5.150 2.709 2.334 3.468 . 0 0 "[ . 1 . 2]" 1
1663 1 74 ASP HB2 1 75 THR H . . 4.060 3.717 2.992 4.032 . 0 0 "[ . 1 . 2]" 1
1664 1 74 ASP HB3 1 75 THR H . . 4.060 2.803 2.174 3.696 . 0 0 "[ . 1 . 2]" 1
1665 1 75 THR H 1 75 THR HB . . 3.910 3.587 2.692 3.925 0.015 14 0 "[ . 1 . 2]" 1
1666 1 75 THR H 1 75 THR MG . . 3.680 2.385 1.893 2.896 . 0 0 "[ . 1 . 2]" 1
1667 1 75 THR H 1 76 ASP H . . 3.410 2.914 2.048 3.283 . 0 0 "[ . 1 . 2]" 1
1668 1 75 THR HA 1 75 THR MG . . 3.720 2.537 2.298 3.242 . 0 0 "[ . 1 . 2]" 1
1669 1 75 THR HB 1 76 ASP H . . 5.060 4.279 3.211 4.733 . 0 0 "[ . 1 . 2]" 1
1670 1 75 THR MG 1 76 ASP H . . 6.450 4.081 2.085 4.390 . 0 0 "[ . 1 . 2]" 1
1671 1 76 ASP H 1 76 ASP HB2 . . 3.550 2.993 2.218 3.554 0.004 10 0 "[ . 1 . 2]" 1
1672 1 76 ASP H 1 76 ASP HB3 . . 3.230 2.972 2.331 3.239 0.009 19 0 "[ . 1 . 2]" 1
1673 1 76 ASP H 1 77 GLY H . . 3.770 2.632 1.891 3.801 0.031 5 0 "[ . 1 . 2]" 1
1674 1 76 ASP HA 1 76 ASP HB2 . . 3.010 2.608 2.420 2.847 . 0 0 "[ . 1 . 2]" 1
1675 1 76 ASP HB2 1 77 GLY H . . 4.520 3.866 3.050 4.540 0.020 19 0 "[ . 1 . 2]" 1
1676 1 76 ASP HB3 1 77 GLY H . . 4.340 3.189 1.974 4.383 0.043 5 0 "[ . 1 . 2]" 1
1677 1 77 GLY H 1 78 TRP H . . 3.190 2.436 1.892 3.221 0.031 12 0 "[ . 1 . 2]" 1
1678 1 78 TRP H 1 78 TRP HD1 . . 4.600 3.933 2.901 4.477 . 0 0 "[ . 1 . 2]" 1
1679 1 78 TRP H 1 79 SER H . . 5.140 4.310 3.967 4.525 . 0 0 "[ . 1 . 2]" 1
1680 1 78 TRP HA 1 78 TRP HD1 . . 3.660 2.319 1.974 3.071 . 0 0 "[ . 1 . 2]" 1
1681 1 78 TRP HA 1 79 SER H . . 2.800 2.306 2.205 2.520 . 0 0 "[ . 1 . 2]" 1
1682 1 78 TRP HA 1 98 SER H . . 6.000 5.138 4.535 5.649 . 0 0 "[ . 1 . 2]" 1
1683 1 78 TRP HA 1 99 GLY HA2 . . 4.740 4.521 4.039 4.742 0.002 8 0 "[ . 1 . 2]" 1
1684 1 78 TRP HA 1 99 GLY HA3 . . 4.200 2.947 2.482 3.518 . 0 0 "[ . 1 . 2]" 1
1685 1 78 TRP QB 1 79 SER H . . 5.580 3.124 2.477 3.632 . 0 0 "[ . 1 . 2]" 1
1686 1 78 TRP HD1 1 79 SER H . . 5.210 4.339 3.679 5.211 0.001 9 0 "[ . 1 . 2]" 1
1687 1 78 TRP HD1 1 100 TRP HA . . 6.000 4.880 4.043 5.991 . 0 0 "[ . 1 . 2]" 1
1688 1 78 TRP HE1 1 100 TRP HA . . 4.920 3.705 2.338 4.623 . 0 0 "[ . 1 . 2]" 1
1689 1 78 TRP HH2 1 107 VAL MG1 . . 5.520 3.854 2.809 4.405 . 0 0 "[ . 1 . 2]" 1
1690 1 78 TRP HH2 1 107 VAL MG2 . . 7.030 4.531 3.953 4.987 . 0 0 "[ . 1 . 2]" 1
1691 1 78 TRP HZ2 1 100 TRP HZ3 . . 4.130 3.502 2.524 4.077 . 0 0 "[ . 1 . 2]" 1
1692 1 78 TRP HZ2 1 107 VAL MG1 . . 5.660 3.251 2.404 3.980 . 0 0 "[ . 1 . 2]" 1
1693 1 78 TRP HZ2 1 107 VAL MG2 . . 4.720 3.586 3.414 3.771 . 0 0 "[ . 1 . 2]" 1
1694 1 79 SER H 1 79 SER HB2 . . 3.910 3.344 3.005 3.644 . 0 0 "[ . 1 . 2]" 1
1695 1 79 SER H 1 79 SER QB . . 3.740 3.120 2.900 3.289 . 0 0 "[ . 1 . 2]" 1
1696 1 79 SER H 1 79 SER HB3 . . 3.910 3.769 3.602 3.912 0.002 14 0 "[ . 1 . 2]" 1
1697 1 79 SER H 1 80 VAL H . . 5.820 4.344 4.271 4.430 . 0 0 "[ . 1 . 2]" 1
1698 1 79 SER H 1 80 VAL MG1 . . 6.600 5.131 4.634 5.384 . 0 0 "[ . 1 . 2]" 1
1699 1 79 SER H 1 97 HIS HA . . 5.710 4.815 4.575 5.072 . 0 0 "[ . 1 . 2]" 1
1700 1 79 SER H 1 97 HIS HD2 . . 4.200 3.497 3.087 3.951 . 0 0 "[ . 1 . 2]" 1
1701 1 79 SER H 1 98 SER H . . 3.980 3.491 3.243 3.821 . 0 0 "[ . 1 . 2]" 1
1702 1 79 SER H 1 99 GLY HA3 . . 4.420 3.743 3.106 4.281 . 0 0 "[ . 1 . 2]" 1
1703 1 79 SER HA 1 80 VAL H . . 2.720 2.275 2.230 2.312 . 0 0 "[ . 1 . 2]" 1
1704 1 79 SER HA 1 80 VAL HB . . 4.780 4.528 4.366 4.784 0.004 14 0 "[ . 1 . 2]" 1
1705 1 79 SER HA 1 80 VAL MG1 . . 6.420 3.550 3.209 3.867 . 0 0 "[ . 1 . 2]" 1
1706 1 79 SER QB 1 80 VAL MG1 . . 7.910 4.435 4.271 4.641 . 0 0 "[ . 1 . 2]" 1
1707 1 79 SER HB2 1 80 VAL H . . 3.700 3.492 3.135 3.702 0.002 8 0 "[ . 1 . 2]" 1
1708 1 79 SER HB3 1 80 VAL H . . 3.700 3.519 3.138 3.711 0.011 2 0 "[ . 1 . 2]" 1
1709 1 80 VAL H 1 80 VAL HB . . 3.370 3.142 2.944 3.324 . 0 0 "[ . 1 . 2]" 1
1710 1 80 VAL H 1 80 VAL MG1 . . 3.930 2.027 1.892 2.244 . 0 0 "[ . 1 . 2]" 1
1711 1 80 VAL H 1 80 VAL MG2 . . 4.690 3.793 3.629 3.885 . 0 0 "[ . 1 . 2]" 1
1712 1 80 VAL H 1 81 THR H . . 4.780 4.450 4.395 4.512 . 0 0 "[ . 1 . 2]" 1
1713 1 80 VAL HA 1 81 THR H . . 2.620 2.272 2.237 2.293 . 0 0 "[ . 1 . 2]" 1
1714 1 80 VAL HA 1 97 HIS HA . . 3.340 2.334 2.045 2.709 . 0 0 "[ . 1 . 2]" 1
1715 1 80 VAL HA 1 98 SER H . . 5.420 3.520 3.078 3.887 . 0 0 "[ . 1 . 2]" 1
1716 1 80 VAL HB 1 81 THR H . . 4.960 4.056 3.837 4.151 . 0 0 "[ . 1 . 2]" 1
1717 1 80 VAL HB 1 97 HIS HD2 . . 6.000 2.134 2.006 2.391 . 0 0 "[ . 1 . 2]" 1
1718 1 80 VAL MG1 1 81 THR H . . 5.190 3.987 3.785 4.231 . 0 0 "[ . 1 . 2]" 1
1719 1 80 VAL MG1 1 82 PHE QD . . 8.030 4.545 4.165 5.061 . 0 0 "[ . 1 . 2]" 1
1720 1 80 VAL MG1 1 82 PHE QE . . 7.670 3.605 3.163 4.256 . 0 0 "[ . 1 . 2]" 1
1721 1 80 VAL MG1 1 82 PHE HZ . . 6.990 3.498 2.808 4.280 . 0 0 "[ . 1 . 2]" 1
1722 1 80 VAL MG1 1 95 ILE MD . . 8.060 4.785 3.613 5.314 . 0 0 "[ . 1 . 2]" 1
1723 1 80 VAL MG1 1 97 HIS HA . . 5.590 4.597 4.247 4.729 . 0 0 "[ . 1 . 2]" 1
1724 1 80 VAL MG1 1 97 HIS HD2 . . 4.440 3.479 2.925 3.693 . 0 0 "[ . 1 . 2]" 1
1725 1 80 VAL MG1 1 98 SER H . . 6.990 5.591 5.291 5.768 . 0 0 "[ . 1 . 2]" 1
1726 1 80 VAL MG2 1 81 THR H . . 3.930 2.196 1.965 2.516 . 0 0 "[ . 1 . 2]" 1
1727 1 80 VAL MG2 1 82 PHE H . . 5.840 4.420 4.170 4.628 . 0 0 "[ . 1 . 2]" 1
1728 1 80 VAL MG2 1 82 PHE QD . . 7.890 3.705 3.307 4.132 . 0 0 "[ . 1 . 2]" 1
1729 1 80 VAL MG2 1 82 PHE QE . . 6.990 3.044 2.309 3.755 . 0 0 "[ . 1 . 2]" 1
1730 1 80 VAL MG2 1 82 PHE HZ . . 5.880 3.436 2.740 4.091 . 0 0 "[ . 1 . 2]" 1
1731 1 80 VAL MG2 1 95 ILE MD . . 6.330 2.662 1.734 3.274 . 0 0 "[ . 1 . 2]" 1
1732 1 80 VAL MG2 1 95 ILE HG12 . . 5.120 2.430 2.067 3.866 . 0 0 "[ . 1 . 2]" 1
1733 1 80 VAL MG2 1 95 ILE HG13 . . 5.080 2.981 2.534 3.894 . 0 0 "[ . 1 . 2]" 1
1734 1 80 VAL MG2 1 95 ILE MG . . 8.060 4.448 4.162 4.925 . 0 0 "[ . 1 . 2]" 1
1735 1 80 VAL MG2 1 96 VAL H . . 6.920 2.695 2.463 2.890 . 0 0 "[ . 1 . 2]" 1
1736 1 80 VAL MG2 1 97 HIS HA . . 6.160 3.107 2.667 3.661 . 0 0 "[ . 1 . 2]" 1
1737 1 80 VAL MG2 1 97 HIS HD2 . . 5.010 3.458 3.055 3.893 . 0 0 "[ . 1 . 2]" 1
1738 1 81 THR H 1 81 THR HB . . 3.370 2.696 2.586 2.781 . 0 0 "[ . 1 . 2]" 1
1739 1 81 THR H 1 82 PHE H . . 4.960 4.414 4.347 4.467 . 0 0 "[ . 1 . 2]" 1
1740 1 81 THR H 1 95 ILE HA . . 4.850 4.778 4.665 4.854 0.004 1 0 "[ . 1 . 2]" 1
1741 1 81 THR H 1 96 VAL H . . 3.440 2.826 2.682 2.982 . 0 0 "[ . 1 . 2]" 1
1742 1 81 THR H 1 96 VAL HB . . 4.130 2.896 2.653 3.077 . 0 0 "[ . 1 . 2]" 1
1743 1 81 THR H 1 96 VAL MG1 . . 5.370 3.771 3.401 3.984 . 0 0 "[ . 1 . 2]" 1
1744 1 81 THR H 1 96 VAL MG2 . . 6.130 4.290 4.109 4.448 . 0 0 "[ . 1 . 2]" 1
1745 1 81 THR H 1 97 HIS HA . . 4.420 3.670 3.412 4.080 . 0 0 "[ . 1 . 2]" 1
1746 1 81 THR HA 1 82 PHE H . . 3.620 2.203 2.176 2.218 . 0 0 "[ . 1 . 2]" 1
1747 1 81 THR HA 1 96 VAL HB . . 6.000 4.801 4.655 4.895 . 0 0 "[ . 1 . 2]" 1
1748 1 81 THR HA 1 96 VAL MG1 . . 7.030 5.684 5.389 5.800 . 0 0 "[ . 1 . 2]" 1
1749 1 81 THR HA 1 96 VAL MG2 . . 6.920 5.571 5.237 5.672 . 0 0 "[ . 1 . 2]" 1
1750 1 81 THR HB 1 82 PHE H . . 4.340 4.112 4.020 4.301 . 0 0 "[ . 1 . 2]" 1
1751 1 81 THR HB 1 96 VAL H . . 5.420 4.115 3.788 4.500 . 0 0 "[ . 1 . 2]" 1
1752 1 81 THR HB 1 96 VAL HB . . 3.440 2.403 2.091 2.671 . 0 0 "[ . 1 . 2]" 1
1753 1 81 THR HB 1 96 VAL MG1 . . 4.760 3.402 3.001 3.637 . 0 0 "[ . 1 . 2]" 1
1754 1 81 THR HB 1 96 VAL MG2 . . 5.910 3.610 3.474 3.767 . 0 0 "[ . 1 . 2]" 1
1755 1 81 THR MG 1 82 PHE H . . 3.570 2.532 2.302 2.673 . 0 0 "[ . 1 . 2]" 1
1756 1 81 THR MG 1 83 HIS HA . . 7.030 4.858 4.612 5.070 . 0 0 "[ . 1 . 2]" 1
1757 1 81 THR MG 1 83 HIS HD2 . . 7.030 3.387 2.667 4.334 . 0 0 "[ . 1 . 2]" 1
1758 1 81 THR MG 1 96 VAL H . . 7.030 5.037 4.641 5.410 . 0 0 "[ . 1 . 2]" 1
1759 1 81 THR MG 1 96 VAL HB . . 6.420 3.949 3.468 4.264 . 0 0 "[ . 1 . 2]" 1
1760 1 81 THR MG 1 96 VAL MG1 . . 7.080 4.444 4.041 4.674 . 0 0 "[ . 1 . 2]" 1
1761 1 81 THR MG 1 96 VAL MG2 . . 7.120 4.188 3.504 4.454 . 0 0 "[ . 1 . 2]" 1
1762 1 82 PHE H 1 83 HIS H . . 4.780 4.555 4.492 4.586 . 0 0 "[ . 1 . 2]" 1
1763 1 82 PHE HA 1 83 HIS H . . 2.760 2.329 2.237 2.378 . 0 0 "[ . 1 . 2]" 1
1764 1 82 PHE HA 1 93 PHE QE . . 8.120 4.542 4.121 5.166 . 0 0 "[ . 1 . 2]" 1
1765 1 82 PHE HA 1 94 THR H . . 4.920 4.781 4.466 4.922 0.002 13 0 "[ . 1 . 2]" 1
1766 1 82 PHE HA 1 95 ILE HA . . 3.440 2.684 2.318 2.922 . 0 0 "[ . 1 . 2]" 1
1767 1 82 PHE HA 1 95 ILE HB . . 6.000 4.232 3.912 4.605 . 0 0 "[ . 1 . 2]" 1
1768 1 82 PHE HA 1 95 ILE MG . . 7.030 5.212 4.985 5.443 . 0 0 "[ . 1 . 2]" 1
1769 1 82 PHE HA 1 96 VAL H . . 4.380 3.702 3.483 3.890 . 0 0 "[ . 1 . 2]" 1
1770 1 82 PHE QB 1 84 LEU MD1 . . 6.280 2.639 2.434 2.801 . 0 0 "[ . 1 . 2]" 1
1771 1 82 PHE QB 1 93 PHE QD . . 9.000 5.003 4.665 5.486 . 0 0 "[ . 1 . 2]" 1
1772 1 82 PHE QB 1 93 PHE QE . . 8.780 3.989 3.538 4.523 . 0 0 "[ . 1 . 2]" 1
1773 1 82 PHE QD 1 83 HIS H . . 8.120 3.633 3.312 3.965 . 0 0 "[ . 1 . 2]" 1
1774 1 82 PHE QD 1 95 ILE HA . . 7.690 2.796 2.452 3.234 . 0 0 "[ . 1 . 2]" 1
1775 1 82 PHE QD 1 95 ILE HB . . 6.900 2.935 2.571 3.301 . 0 0 "[ . 1 . 2]" 1
1776 1 82 PHE QD 1 95 ILE MD . . 8.610 4.695 2.090 5.394 . 0 0 "[ . 1 . 2]" 1
1777 1 82 PHE QD 1 95 ILE HG12 . . 8.120 3.835 3.203 5.142 . 0 0 "[ . 1 . 2]" 1
1778 1 82 PHE QD 1 95 ILE HG13 . . 8.120 4.233 3.397 5.482 . 0 0 "[ . 1 . 2]" 1
1779 1 82 PHE QD 1 95 ILE MG . . 7.670 4.411 4.161 4.661 . 0 0 "[ . 1 . 2]" 1
1780 1 82 PHE QD 1 96 VAL H . . 8.120 4.134 3.499 4.708 . 0 0 "[ . 1 . 2]" 1
1781 1 82 PHE QE 1 95 ILE HB . . 8.120 3.087 2.732 3.499 . 0 0 "[ . 1 . 2]" 1
1782 1 82 PHE QE 1 95 ILE MD . . 8.500 4.261 1.911 5.147 . 0 0 "[ . 1 . 2]" 1
1783 1 82 PHE QE 1 95 ILE HG12 . . 8.120 3.537 2.701 4.209 . 0 0 "[ . 1 . 2]" 1
1784 1 82 PHE QE 1 95 ILE HG13 . . 8.120 3.193 2.379 5.086 . 0 0 "[ . 1 . 2]" 1
1785 1 82 PHE QE 1 95 ILE MG . . 9.150 4.342 4.014 4.760 . 0 0 "[ . 1 . 2]" 1
1786 1 83 HIS H 1 83 HIS HB2 . . 3.550 2.737 2.502 2.868 . 0 0 "[ . 1 . 2]" 1
1787 1 83 HIS H 1 83 HIS HB3 . . 3.840 3.775 3.538 3.880 0.040 16 0 "[ . 1 . 2]" 1
1788 1 83 HIS H 1 83 HIS HD2 . . 6.000 3.950 3.264 4.585 . 0 0 "[ . 1 . 2]" 1
1789 1 83 HIS H 1 84 LEU H . . 4.700 4.109 4.002 4.210 . 0 0 "[ . 1 . 2]" 1
1790 1 83 HIS H 1 93 PHE QE . . 8.120 4.753 4.344 5.245 . 0 0 "[ . 1 . 2]" 1
1791 1 83 HIS H 1 94 THR H . . 3.590 2.881 2.632 3.008 . 0 0 "[ . 1 . 2]" 1
1792 1 83 HIS H 1 94 THR HB . . 4.060 3.506 3.074 3.896 . 0 0 "[ . 1 . 2]" 1
1793 1 83 HIS H 1 95 ILE HA . . 4.090 3.772 3.410 4.023 . 0 0 "[ . 1 . 2]" 1
1794 1 83 HIS HA 1 84 LEU H . . 2.650 2.188 2.186 2.196 . 0 0 "[ . 1 . 2]" 1
1795 1 83 HIS HA 1 84 LEU MD1 . . 4.760 3.538 3.301 3.793 . 0 0 "[ . 1 . 2]" 1
1796 1 83 HIS HB2 1 84 LEU H . . 4.630 4.457 4.226 4.583 . 0 0 "[ . 1 . 2]" 1
1797 1 83 HIS HB2 1 94 THR H . . 4.420 3.560 3.345 3.884 . 0 0 "[ . 1 . 2]" 1
1798 1 83 HIS HB2 1 94 THR HB . . 3.440 2.090 1.999 2.347 . 0 0 "[ . 1 . 2]" 1
1799 1 83 HIS HB2 1 94 THR MG . . 6.020 3.042 2.521 3.382 . 0 0 "[ . 1 . 2]" 1
1800 1 83 HIS HB3 1 84 LEU H . . 3.950 3.598 3.413 3.714 . 0 0 "[ . 1 . 2]" 1
1801 1 83 HIS HB3 1 94 THR H . . 4.920 4.423 3.853 4.911 . 0 0 "[ . 1 . 2]" 1
1802 1 83 HIS HB3 1 94 THR HB . . 3.620 3.180 2.465 3.549 . 0 0 "[ . 1 . 2]" 1
1803 1 83 HIS HB3 1 94 THR MG . . 6.450 4.149 3.501 4.540 . 0 0 "[ . 1 . 2]" 1
1804 1 83 HIS HD2 1 94 THR HB . . 5.320 4.300 3.616 4.985 . 0 0 "[ . 1 . 2]" 1
1805 1 83 HIS HD2 1 94 THR MG . . 5.190 3.708 2.886 4.116 . 0 0 "[ . 1 . 2]" 1
1806 1 83 HIS HD2 1 96 VAL MG2 . . 4.260 2.576 2.065 3.226 . 0 0 "[ . 1 . 2]" 1
1807 1 84 LEU H 1 84 LEU HB2 . . 3.370 2.393 2.300 2.463 . 0 0 "[ . 1 . 2]" 1
1808 1 84 LEU H 1 84 LEU HB3 . . 4.060 3.586 3.521 3.642 . 0 0 "[ . 1 . 2]" 1
1809 1 84 LEU H 1 84 LEU MD1 . . 3.970 2.803 2.418 3.086 . 0 0 "[ . 1 . 2]" 1
1810 1 84 LEU H 1 84 LEU HG . . 5.240 3.793 3.496 4.023 . 0 0 "[ . 1 . 2]" 1
1811 1 84 LEU H 1 85 LYS H . . 4.670 4.526 4.489 4.562 . 0 0 "[ . 1 . 2]" 1
1812 1 84 LEU HA 1 84 LEU HG . . 3.410 2.241 2.185 2.364 . 0 0 "[ . 1 . 2]" 1
1813 1 84 LEU HA 1 85 LYS H . . 2.720 2.402 2.362 2.455 . 0 0 "[ . 1 . 2]" 1
1814 1 84 LEU HA 1 91 THR MG . . 5.160 4.059 3.893 4.157 . 0 0 "[ . 1 . 2]" 1
1815 1 84 LEU HA 1 92 ILE H . . 6.000 4.655 4.450 4.913 . 0 0 "[ . 1 . 2]" 1
1816 1 84 LEU HA 1 93 PHE HA . . 3.080 2.794 2.608 2.995 . 0 0 "[ . 1 . 2]" 1
1817 1 84 LEU HA 1 94 THR H . . 5.060 3.553 3.238 3.768 . 0 0 "[ . 1 . 2]" 1
1818 1 84 LEU HB2 1 85 LYS H . . 4.020 3.965 3.828 4.031 0.011 1 0 "[ . 1 . 2]" 1
1819 1 84 LEU HB2 1 91 THR MG . . 5.660 4.767 4.695 4.792 . 0 0 "[ . 1 . 2]" 1
1820 1 84 LEU HB3 1 85 LYS H . . 3.880 2.668 2.519 2.757 . 0 0 "[ . 1 . 2]" 1
1821 1 84 LEU HB3 1 91 THR MG . . 5.910 3.379 3.303 3.437 . 0 0 "[ . 1 . 2]" 1
1822 1 84 LEU MD1 1 85 LYS H . . 6.450 4.865 4.747 4.946 . 0 0 "[ . 1 . 2]" 1
1823 1 84 LEU MD1 1 93 PHE QD . . 8.140 3.525 2.605 4.408 . 0 0 "[ . 1 . 2]" 1
1824 1 84 LEU MD1 1 93 PHE QE . . 8.070 3.118 2.323 4.031 . 0 0 "[ . 1 . 2]" 1
1825 1 84 LEU MD2 1 85 LYS H . . 6.270 3.690 3.429 3.935 . 0 0 "[ . 1 . 2]" 1
1826 1 84 LEU MD2 1 92 ILE H . . 6.920 4.769 4.456 5.255 . 0 0 "[ . 1 . 2]" 1
1827 1 84 LEU MD2 1 93 PHE HA . . 7.030 3.853 3.498 4.165 . 0 0 "[ . 1 . 2]" 1
1828 1 84 LEU MD2 1 93 PHE QD . . 9.010 2.649 2.110 3.029 . 0 0 "[ . 1 . 2]" 1
1829 1 84 LEU HG 1 85 LYS H . . 4.780 3.977 3.729 4.261 . 0 0 "[ . 1 . 2]" 1
1830 1 84 LEU HG 1 93 PHE HA . . 5.530 2.845 2.602 3.109 . 0 0 "[ . 1 . 2]" 1
1831 1 84 LEU HG 1 93 PHE QD . . 5.750 3.139 2.471 3.850 . 0 0 "[ . 1 . 2]" 1
1832 1 84 LEU HG 1 93 PHE QE . . 8.120 4.168 3.700 4.532 . 0 0 "[ . 1 . 2]" 1
1833 1 85 LYS H 1 85 LYS HB2 . . 4.130 4.014 3.921 4.060 . 0 0 "[ . 1 . 2]" 1
1834 1 85 LYS H 1 85 LYS HB3 . . 3.840 3.652 3.513 3.833 . 0 0 "[ . 1 . 2]" 1
1835 1 85 LYS H 1 85 LYS QD . . 6.050 4.235 4.055 4.661 . 0 0 "[ . 1 . 2]" 1
1836 1 85 LYS H 1 86 GLU H . . 5.960 3.799 3.712 3.935 . 0 0 "[ . 1 . 2]" 1
1837 1 85 LYS H 1 91 THR HA . . 5.680 4.534 4.391 4.662 . 0 0 "[ . 1 . 2]" 1
1838 1 85 LYS H 1 91 THR MG . . 4.000 2.995 2.883 3.130 . 0 0 "[ . 1 . 2]" 1
1839 1 85 LYS H 1 92 ILE H . . 3.550 2.893 2.731 3.069 . 0 0 "[ . 1 . 2]" 1
1840 1 85 LYS H 1 92 ILE HB . . 5.460 3.338 3.125 3.629 . 0 0 "[ . 1 . 2]" 1
1841 1 85 LYS H 1 92 ILE MD . . 7.030 5.574 5.373 5.869 . 0 0 "[ . 1 . 2]" 1
1842 1 85 LYS H 1 92 ILE MG . . 6.060 4.239 3.967 4.491 . 0 0 "[ . 1 . 2]" 1
1843 1 85 LYS H 1 93 PHE HA . . 4.780 4.296 4.014 4.531 . 0 0 "[ . 1 . 2]" 1
1844 1 85 LYS HA 1 86 GLU H . . 2.540 2.177 2.176 2.181 . 0 0 "[ . 1 . 2]" 1
1845 1 85 LYS HB2 1 86 GLU H . . 3.800 3.642 3.496 3.760 . 0 0 "[ . 1 . 2]" 1
1846 1 85 LYS HB2 1 92 ILE H . . 6.000 5.093 4.798 5.331 . 0 0 "[ . 1 . 2]" 1
1847 1 85 LYS HB2 1 92 ILE HG12 . . 6.000 5.376 5.093 5.792 . 0 0 "[ . 1 . 2]" 1
1848 1 85 LYS HB2 1 92 ILE MG . . 5.910 4.766 4.671 4.849 . 0 0 "[ . 1 . 2]" 1
1849 1 85 LYS HB3 1 86 GLU H . . 4.340 4.320 4.182 4.394 0.054 18 0 "[ . 1 . 2]" 1
1850 1 85 LYS HB3 1 92 ILE MG . . 7.030 4.835 4.458 5.310 . 0 0 "[ . 1 . 2]" 1
1851 1 85 LYS QD 1 86 GLU H . . 6.880 5.478 4.663 5.911 . 0 0 "[ . 1 . 2]" 1
1852 1 85 LYS QE 1 86 GLU H . . 6.880 5.851 5.252 6.161 . 0 0 "[ . 1 . 2]" 1
1853 1 85 LYS QE 1 92 ILE MD . . 7.150 4.769 3.674 5.378 . 0 0 "[ . 1 . 2]" 1
1854 1 85 LYS QE 1 92 ILE MG . . 6.070 3.047 2.037 3.774 . 0 0 "[ . 1 . 2]" 1
1855 1 85 LYS QG 1 86 GLU H . . 5.110 4.432 4.185 4.608 . 0 0 "[ . 1 . 2]" 1
1856 1 85 LYS QG 1 87 GLU H . . 6.880 5.476 4.920 5.933 . 0 0 "[ . 1 . 2]" 1
1857 1 85 LYS QG 1 87 GLU HG2 . . 6.880 4.896 3.838 6.065 . 0 0 "[ . 1 . 2]" 1
1858 1 85 LYS QG 1 87 GLU QG . . 6.520 4.293 3.487 5.112 . 0 0 "[ . 1 . 2]" 1
1859 1 85 LYS QG 1 87 GLU HG3 . . 6.880 4.780 3.854 5.685 . 0 0 "[ . 1 . 2]" 1
1860 1 85 LYS QG 1 92 ILE HB . . 6.160 1.869 1.771 1.990 . 0 0 "[ . 1 . 2]" 1
1861 1 85 LYS QG 1 92 ILE MD . . 6.900 4.277 3.970 4.621 . 0 0 "[ . 1 . 2]" 1
1862 1 85 LYS QG 1 92 ILE MG . . 7.260 2.458 2.168 2.781 . 0 0 "[ . 1 . 2]" 1
1863 1 86 GLU H 1 86 GLU HB2 . . 3.260 2.201 2.116 2.330 . 0 0 "[ . 1 . 2]" 1
1864 1 86 GLU H 1 86 GLU QB . . 3.000 2.123 2.069 2.189 . 0 0 "[ . 1 . 2]" 1
1865 1 86 GLU H 1 86 GLU HB3 . . 3.260 2.815 2.660 2.932 . 0 0 "[ . 1 . 2]" 1
1866 1 86 GLU H 1 86 GLU HG2 . . 5.030 4.202 4.079 4.300 . 0 0 "[ . 1 . 2]" 1
1867 1 86 GLU H 1 86 GLU QG . . 4.490 3.801 3.711 3.911 . 0 0 "[ . 1 . 2]" 1
1868 1 86 GLU H 1 86 GLU HG3 . . 5.030 4.339 4.175 4.501 . 0 0 "[ . 1 . 2]" 1
1869 1 86 GLU H 1 87 GLU H . . 6.000 4.619 4.549 4.652 . 0 0 "[ . 1 . 2]" 1
1870 1 86 GLU H 1 91 THR MG . . 7.030 4.189 3.942 4.494 . 0 0 "[ . 1 . 2]" 1
1871 1 86 GLU H 1 92 ILE H . . 4.600 4.589 4.470 4.620 0.020 20 0 "[ . 1 . 2]" 1
1872 1 86 GLU HA 1 86 GLU HG2 . . 3.730 2.118 2.044 2.212 . 0 0 "[ . 1 . 2]" 1
1873 1 86 GLU HA 1 86 GLU HG3 . . 3.730 3.293 3.086 3.433 . 0 0 "[ . 1 . 2]" 1
1874 1 86 GLU HA 1 87 GLU H . . 2.650 2.260 2.211 2.308 . 0 0 "[ . 1 . 2]" 1
1875 1 86 GLU HA 1 91 THR HA . . 3.010 2.219 2.079 2.371 . 0 0 "[ . 1 . 2]" 1
1876 1 86 GLU HA 1 91 THR MG . . 4.110 3.002 2.724 3.251 . 0 0 "[ . 1 . 2]" 1
1877 1 86 GLU HA 1 92 ILE H . . 3.950 3.051 2.884 3.147 . 0 0 "[ . 1 . 2]" 1
1878 1 86 GLU QB 1 87 GLU H . . 4.360 3.631 3.463 3.758 . 0 0 "[ . 1 . 2]" 1
1879 1 86 GLU HB2 1 87 GLU H . . 4.520 4.385 4.286 4.536 0.016 10 0 "[ . 1 . 2]" 1
1880 1 86 GLU HB3 1 87 GLU H . . 4.520 3.878 3.642 4.078 . 0 0 "[ . 1 . 2]" 1
1881 1 86 GLU QG 1 87 GLU H . . 4.420 2.658 2.508 2.990 . 0 0 "[ . 1 . 2]" 1
1882 1 86 GLU HG2 1 87 GLU H . . 4.670 2.683 2.529 3.027 . 0 0 "[ . 1 . 2]" 1
1883 1 86 GLU HG3 1 87 GLU H . . 4.670 4.307 4.142 4.648 . 0 0 "[ . 1 . 2]" 1
1884 1 87 GLU H 1 87 GLU HB2 . . 3.410 2.396 2.191 2.605 . 0 0 "[ . 1 . 2]" 1
1885 1 87 GLU H 1 87 GLU HB3 . . 4.060 3.200 3.078 3.484 . 0 0 "[ . 1 . 2]" 1
1886 1 87 GLU H 1 87 GLU HG2 . . 4.600 4.163 4.000 4.330 . 0 0 "[ . 1 . 2]" 1
1887 1 87 GLU H 1 87 GLU QG . . 4.280 3.821 3.729 3.937 . 0 0 "[ . 1 . 2]" 1
1888 1 87 GLU H 1 87 GLU HG3 . . 4.600 4.460 4.186 4.597 . 0 0 "[ . 1 . 2]" 1
1889 1 87 GLU H 1 88 GLU H . . 5.420 4.380 4.352 4.441 . 0 0 "[ . 1 . 2]" 1
1890 1 87 GLU H 1 90 GLY H . . 3.550 3.272 3.011 3.546 . 0 0 "[ . 1 . 2]" 1
1891 1 87 GLU H 1 91 THR H . . 5.060 4.532 4.447 4.747 . 0 0 "[ . 1 . 2]" 1
1892 1 87 GLU H 1 91 THR HA . . 3.700 2.620 2.459 2.835 . 0 0 "[ . 1 . 2]" 1
1893 1 87 GLU H 1 91 THR MG . . 6.240 4.411 4.255 4.631 . 0 0 "[ . 1 . 2]" 1
1894 1 87 GLU H 1 92 ILE H . . 4.960 3.809 3.454 4.062 . 0 0 "[ . 1 . 2]" 1
1895 1 87 GLU H 1 92 ILE MD . . 5.950 4.554 4.211 4.804 . 0 0 "[ . 1 . 2]" 1
1896 1 87 GLU HA 1 87 GLU HB2 . . 3.010 2.852 2.794 2.935 . 0 0 "[ . 1 . 2]" 1
1897 1 87 GLU HA 1 87 GLU HG2 . . 3.550 2.115 1.961 3.546 . 0 0 "[ . 1 . 2]" 1
1898 1 87 GLU HA 1 87 GLU HG3 . . 3.550 3.301 2.616 3.515 . 0 0 "[ . 1 . 2]" 1
1899 1 87 GLU HA 1 88 GLU H . . 2.830 2.802 2.676 2.849 0.019 8 0 "[ . 1 . 2]" 1
1900 1 87 GLU HB2 1 88 GLU H . . 3.840 3.652 3.518 3.793 . 0 0 "[ . 1 . 2]" 1
1901 1 87 GLU HB2 1 89 ASN H . . 6.000 4.917 4.348 5.139 . 0 0 "[ . 1 . 2]" 1
1902 1 87 GLU HB2 1 91 THR HA . . 3.950 3.715 3.485 3.907 . 0 0 "[ . 1 . 2]" 1
1903 1 87 GLU HB2 1 92 ILE HG12 . . 5.390 2.030 1.992 2.145 . 0 0 "[ . 1 . 2]" 1
1904 1 87 GLU HB3 1 88 GLU H . . 3.620 2.203 1.944 2.380 . 0 0 "[ . 1 . 2]" 1
1905 1 87 GLU HB3 1 89 ASN H . . 4.450 3.380 2.877 3.880 . 0 0 "[ . 1 . 2]" 1
1906 1 87 GLU HB3 1 90 GLY H . . 5.860 3.476 2.874 3.904 . 0 0 "[ . 1 . 2]" 1
1907 1 87 GLU HB3 1 92 ILE H . . 6.000 5.626 5.358 5.889 . 0 0 "[ . 1 . 2]" 1
1908 1 87 GLU HB3 1 92 ILE MD . . 4.720 3.675 3.497 3.789 . 0 0 "[ . 1 . 2]" 1
1909 1 87 GLU HB3 1 92 ILE HG12 . . 6.000 3.652 3.529 3.830 . 0 0 "[ . 1 . 2]" 1
1910 1 87 GLU HB3 1 92 ILE HG13 . . 5.030 4.356 3.790 4.695 . 0 0 "[ . 1 . 2]" 1
1911 1 87 GLU QG 1 88 GLU H . . 3.890 3.062 2.719 3.528 . 0 0 "[ . 1 . 2]" 1
1912 1 87 GLU QG 1 90 GLY H . . 6.700 5.348 4.855 5.584 . 0 0 "[ . 1 . 2]" 1
1913 1 87 GLU QG 1 92 ILE MD . . 5.060 2.747 2.325 3.414 . 0 0 "[ . 1 . 2]" 1
1914 1 87 GLU QG 1 92 ILE HG12 . . 5.020 2.598 2.045 3.248 . 0 0 "[ . 1 . 2]" 1
1915 1 87 GLU QG 1 92 ILE HG13 . . 4.270 2.187 1.979 2.458 . 0 0 "[ . 1 . 2]" 1
1916 1 87 GLU HG2 1 88 GLU H . . 4.160 3.270 2.784 3.911 . 0 0 "[ . 1 . 2]" 1
1917 1 87 GLU HG2 1 92 ILE HG12 . . 5.420 3.595 2.671 4.097 . 0 0 "[ . 1 . 2]" 1
1918 1 87 GLU HG2 1 92 ILE HG13 . . 4.630 3.377 1.995 3.924 . 0 0 "[ . 1 . 2]" 1
1919 1 87 GLU HG3 1 88 GLU H . . 4.160 3.873 2.787 4.146 . 0 0 "[ . 1 . 2]" 1
1920 1 87 GLU HG3 1 92 ILE HG12 . . 5.420 2.734 2.058 3.997 . 0 0 "[ . 1 . 2]" 1
1921 1 87 GLU HG3 1 92 ILE HG13 . . 4.630 2.288 1.998 3.468 . 0 0 "[ . 1 . 2]" 1
1922 1 88 GLU H 1 88 GLU HA . . 2.870 2.682 2.635 2.813 . 0 0 "[ . 1 . 2]" 1
1923 1 88 GLU H 1 88 GLU HB2 . . 3.550 2.253 2.118 2.309 . 0 0 "[ . 1 . 2]" 1
1924 1 88 GLU H 1 88 GLU QB . . 3.310 2.227 2.099 2.281 . 0 0 "[ . 1 . 2]" 1
1925 1 88 GLU H 1 88 GLU HB3 . . 3.550 3.504 3.419 3.533 . 0 0 "[ . 1 . 2]" 1
1926 1 88 GLU H 1 88 GLU HG2 . . 3.910 3.089 2.841 3.747 . 0 0 "[ . 1 . 2]" 1
1927 1 88 GLU H 1 88 GLU QG . . 3.630 2.701 2.600 3.001 . 0 0 "[ . 1 . 2]" 1
1928 1 88 GLU H 1 88 GLU HG3 . . 3.910 3.031 2.752 3.527 . 0 0 "[ . 1 . 2]" 1
1929 1 88 GLU H 1 89 ASN H . . 3.770 3.237 2.687 3.515 . 0 0 "[ . 1 . 2]" 1
1930 1 88 GLU QB 1 89 ASN H . . 3.010 2.200 1.986 2.450 . 0 0 "[ . 1 . 2]" 1
1931 1 88 GLU QB 1 90 GLY H . . 5.120 4.522 4.355 4.623 . 0 0 "[ . 1 . 2]" 1
1932 1 88 GLU HB2 1 89 ASN H . . 3.190 2.379 2.278 2.576 . 0 0 "[ . 1 . 2]" 1
1933 1 88 GLU HB3 1 89 ASN H . . 3.190 2.618 2.133 3.093 . 0 0 "[ . 1 . 2]" 1
1934 1 88 GLU QG 1 89 ASN H . . 4.690 4.117 3.998 4.251 . 0 0 "[ . 1 . 2]" 1
1935 1 88 GLU HG2 1 89 ASN H . . 5.030 4.667 4.514 4.779 . 0 0 "[ . 1 . 2]" 1
1936 1 88 GLU HG3 1 89 ASN H . . 5.030 4.580 4.425 4.765 . 0 0 "[ . 1 . 2]" 1
1937 1 89 ASN H 1 89 ASN HB2 . . 3.620 2.578 2.070 3.003 . 0 0 "[ . 1 . 2]" 1
1938 1 89 ASN H 1 89 ASN QB . . 3.370 2.443 2.051 2.622 . 0 0 "[ . 1 . 2]" 1
1939 1 89 ASN H 1 89 ASN HB3 . . 3.620 3.311 2.662 3.631 0.011 3 0 "[ . 1 . 2]" 1
1940 1 89 ASN H 1 89 ASN HD21 . . 5.460 4.410 2.986 5.196 . 0 0 "[ . 1 . 2]" 1
1941 1 89 ASN H 1 89 ASN HD22 . . 6.000 5.357 4.109 5.923 . 0 0 "[ . 1 . 2]" 1
1942 1 89 ASN H 1 90 GLY H . . 3.160 3.030 2.794 3.186 0.026 20 0 "[ . 1 . 2]" 1
1943 1 89 ASN HA 1 89 ASN HD21 . . 4.420 3.517 2.450 4.413 . 0 0 "[ . 1 . 2]" 1
1944 1 89 ASN HA 1 89 ASN HD22 . . 5.210 4.067 3.571 4.587 . 0 0 "[ . 1 . 2]" 1
1945 1 89 ASN HB2 1 90 GLY H . . 5.280 4.221 2.510 4.731 . 0 0 "[ . 1 . 2]" 1
1946 1 89 ASN HB3 1 90 GLY H . . 5.280 4.150 2.831 4.417 . 0 0 "[ . 1 . 2]" 1
1947 1 90 GLY H 1 91 THR H . . 4.670 4.283 3.938 4.368 . 0 0 "[ . 1 . 2]" 1
1948 1 90 GLY HA2 1 91 THR H . . 3.230 2.686 2.499 3.254 0.024 19 0 "[ . 1 . 2]" 1
1949 1 90 GLY HA2 1 91 THR HB . . 5.710 4.729 4.527 5.318 . 0 0 "[ . 1 . 2]" 1
1950 1 90 GLY HA3 1 91 THR H . . 2.870 2.597 2.205 2.748 . 0 0 "[ . 1 . 2]" 1
1951 1 91 THR H 1 91 THR HB . . 3.120 2.475 2.405 2.556 . 0 0 "[ . 1 . 2]" 1
1952 1 91 THR H 1 91 THR HG1 . . 3.660 2.994 2.567 3.633 . 0 0 "[ . 1 . 2]" 1
1953 1 91 THR H 1 92 ILE H . . 5.140 4.503 4.444 4.543 . 0 0 "[ . 1 . 2]" 1
1954 1 91 THR HA 1 92 ILE H . . 2.650 2.231 2.185 2.295 . 0 0 "[ . 1 . 2]" 1
1955 1 91 THR HA 1 92 ILE MD . . 7.030 4.203 3.760 4.588 . 0 0 "[ . 1 . 2]" 1
1956 1 91 THR HB 1 92 ILE H . . 5.420 4.154 4.009 4.302 . 0 0 "[ . 1 . 2]" 1
1957 1 91 THR MG 1 92 ILE H . . 4.180 2.354 2.053 2.679 . 0 0 "[ . 1 . 2]" 1
1958 1 91 THR MG 1 93 PHE HA . . 7.030 4.313 4.211 4.453 . 0 0 "[ . 1 . 2]" 1
1959 1 91 THR MG 1 93 PHE QB . . 7.080 3.760 3.630 3.947 . 0 0 "[ . 1 . 2]" 1
1960 1 92 ILE H 1 92 ILE HB . . 3.370 2.448 2.348 2.541 . 0 0 "[ . 1 . 2]" 1
1961 1 92 ILE H 1 92 ILE MD . . 4.980 3.557 3.252 3.911 . 0 0 "[ . 1 . 2]" 1
1962 1 92 ILE H 1 92 ILE HG12 . . 4.160 2.679 2.499 2.828 . 0 0 "[ . 1 . 2]" 1
1963 1 92 ILE H 1 92 ILE HG13 . . 4.240 3.962 3.693 4.130 . 0 0 "[ . 1 . 2]" 1
1964 1 92 ILE H 1 93 PHE H . . 4.520 4.481 4.417 4.527 0.007 15 0 "[ . 1 . 2]" 1
1965 1 92 ILE HA 1 92 ILE MD . . 4.110 1.980 1.895 2.136 . 0 0 "[ . 1 . 2]" 1
1966 1 92 ILE HA 1 92 ILE HG12 . . 4.090 3.074 2.889 3.249 . 0 0 "[ . 1 . 2]" 1
1967 1 92 ILE HA 1 92 ILE MG . . 3.720 2.396 2.322 2.501 . 0 0 "[ . 1 . 2]" 1
1968 1 92 ILE HA 1 93 PHE H . . 2.650 2.212 2.181 2.237 . 0 0 "[ . 1 . 2]" 1
1969 1 92 ILE HB 1 92 ILE HG12 . . 2.870 2.428 2.331 2.551 . 0 0 "[ . 1 . 2]" 1
1970 1 92 ILE HB 1 93 PHE H . . 4.990 4.244 4.161 4.348 . 0 0 "[ . 1 . 2]" 1
1971 1 92 ILE MD 1 93 PHE H . . 4.800 3.447 3.243 3.705 . 0 0 "[ . 1 . 2]" 1
1972 1 92 ILE HG12 1 93 PHE H . . 5.930 5.140 4.981 5.290 . 0 0 "[ . 1 . 2]" 1
1973 1 92 ILE HG13 1 93 PHE H . . 6.000 5.372 5.167 5.546 . 0 0 "[ . 1 . 2]" 1
1974 1 92 ILE MG 1 93 PHE H . . 3.970 2.450 2.230 2.761 . 0 0 "[ . 1 . 2]" 1
1975 1 92 ILE MG 1 93 PHE HA . . 6.600 3.702 3.450 3.908 . 0 0 "[ . 1 . 2]" 1
1976 1 92 ILE MG 1 94 THR H . . 6.340 4.114 3.850 4.480 . 0 0 "[ . 1 . 2]" 1
1977 1 93 PHE H 1 93 PHE HB2 . . 3.440 2.834 2.664 2.953 . 0 0 "[ . 1 . 2]" 1
1978 1 93 PHE H 1 93 PHE QB . . 3.230 2.389 2.321 2.477 . 0 0 "[ . 1 . 2]" 1
1979 1 93 PHE H 1 93 PHE HB3 . . 3.440 2.577 2.466 2.695 . 0 0 "[ . 1 . 2]" 1
1980 1 93 PHE H 1 94 THR H . . 4.960 4.297 4.183 4.408 . 0 0 "[ . 1 . 2]" 1
1981 1 93 PHE HA 1 94 THR H . . 2.650 2.198 2.193 2.217 . 0 0 "[ . 1 . 2]" 1
1982 1 93 PHE HB2 1 94 THR H . . 4.990 4.484 4.361 4.560 . 0 0 "[ . 1 . 2]" 1
1983 1 93 PHE HB3 1 94 THR H . . 4.990 4.270 4.183 4.357 . 0 0 "[ . 1 . 2]" 1
1984 1 93 PHE QD 1 94 THR H . . 6.500 3.413 2.957 3.811 . 0 0 "[ . 1 . 2]" 1
1985 1 93 PHE QD 1 95 ILE MG . . 9.150 3.176 2.743 3.630 . 0 0 "[ . 1 . 2]" 1
1986 1 93 PHE QE 1 95 ILE HB . . 6.860 2.361 2.050 2.746 . 0 0 "[ . 1 . 2]" 1
1987 1 93 PHE QE 1 95 ILE MG . . 6.950 3.200 2.784 3.551 . 0 0 "[ . 1 . 2]" 1
1988 1 93 PHE HZ 1 95 ILE HB . . 6.000 4.379 3.978 4.999 . 0 0 "[ . 1 . 2]" 1
1989 1 93 PHE HZ 1 95 ILE MG . . 7.030 5.228 4.827 5.590 . 0 0 "[ . 1 . 2]" 1
1990 1 94 THR H 1 94 THR HB . . 3.300 2.556 2.380 2.709 . 0 0 "[ . 1 . 2]" 1
1991 1 94 THR H 1 95 ILE H . . 5.350 4.408 4.284 4.518 . 0 0 "[ . 1 . 2]" 1
1992 1 94 THR HA 1 94 THR MG . . 3.680 2.409 2.258 2.565 . 0 0 "[ . 1 . 2]" 1
1993 1 94 THR HA 1 95 ILE H . . 2.720 2.195 2.152 2.252 . 0 0 "[ . 1 . 2]" 1
1994 1 94 THR HA 1 95 ILE MG . . 4.900 3.311 3.172 3.527 . 0 0 "[ . 1 . 2]" 1
1995 1 94 THR HB 1 95 ILE H . . 5.320 4.260 4.086 4.431 . 0 0 "[ . 1 . 2]" 1
1996 1 94 THR MG 1 95 ILE H . . 3.750 2.527 2.249 2.872 . 0 0 "[ . 1 . 2]" 1
1997 1 95 ILE H 1 95 ILE HB . . 3.880 3.257 3.035 3.399 . 0 0 "[ . 1 . 2]" 1
1998 1 95 ILE H 1 95 ILE HG12 . . 5.280 4.504 4.398 4.801 . 0 0 "[ . 1 . 2]" 1
1999 1 95 ILE H 1 95 ILE MG . . 3.610 1.957 1.853 2.066 . 0 0 "[ . 1 . 2]" 1
2000 1 95 ILE H 1 96 VAL H . . 5.240 4.489 4.419 4.556 . 0 0 "[ . 1 . 2]" 1
2001 1 95 ILE H 1 96 VAL MG2 . . 6.850 3.861 3.528 4.019 . 0 0 "[ . 1 . 2]" 1
2002 1 95 ILE HA 1 95 ILE HG12 . . 3.800 2.710 2.426 3.885 0.085 9 0 "[ . 1 . 2]" 1
2003 1 95 ILE HA 1 96 VAL H . . 2.760 2.293 2.253 2.341 . 0 0 "[ . 1 . 2]" 1
2004 1 95 ILE HA 1 96 VAL MG2 . . 5.880 3.393 3.150 3.622 . 0 0 "[ . 1 . 2]" 1
2005 1 95 ILE HB 1 96 VAL H . . 3.950 3.873 3.793 3.956 0.006 11 0 "[ . 1 . 2]" 1
2006 1 95 ILE MD 1 96 VAL H . . 5.230 2.841 1.780 3.256 . 0 0 "[ . 1 . 2]" 1
2007 1 95 ILE MD 1 96 VAL HA . . 5.370 2.876 2.591 3.536 . 0 0 "[ . 1 . 2]" 1
2008 1 95 ILE MD 1 96 VAL MG1 . . 8.060 4.343 4.073 4.503 . 0 0 "[ . 1 . 2]" 1
2009 1 95 ILE MD 1 96 VAL MG2 . . 8.060 3.901 3.764 4.057 . 0 0 "[ . 1 . 2]" 1
2010 1 95 ILE MD 1 97 HIS H . . 4.900 2.973 2.495 3.660 . 0 0 "[ . 1 . 2]" 1
2011 1 95 ILE MD 1 97 HIS HA . . 5.880 3.963 3.631 4.390 . 0 0 "[ . 1 . 2]" 1
2012 1 95 ILE MD 1 97 HIS HB2 . . 4.540 2.410 2.124 2.741 . 0 0 "[ . 1 . 2]" 1
2013 1 95 ILE MD 1 97 HIS HB3 . . 5.300 3.350 2.656 4.091 . 0 0 "[ . 1 . 2]" 1
2014 1 95 ILE HG12 1 96 VAL H . . 4.020 2.324 1.969 4.031 0.011 7 0 "[ . 1 . 2]" 1
2015 1 95 ILE HG12 1 96 VAL HA . . 5.710 4.152 3.812 5.110 . 0 0 "[ . 1 . 2]" 1
2016 1 95 ILE HG13 1 96 VAL H . . 5.420 3.763 2.936 4.068 . 0 0 "[ . 1 . 2]" 1
2017 1 95 ILE MG 1 96 VAL H . . 5.230 4.108 3.878 4.258 . 0 0 "[ . 1 . 2]" 1
2018 1 95 ILE MG 1 96 VAL HA . . 6.160 4.341 4.017 4.578 . 0 0 "[ . 1 . 2]" 1
2019 1 96 VAL H 1 96 VAL HB . . 3.440 2.749 2.642 2.885 . 0 0 "[ . 1 . 2]" 1
2020 1 96 VAL H 1 96 VAL MG2 . . 4.330 2.938 2.729 3.079 . 0 0 "[ . 1 . 2]" 1
2021 1 96 VAL H 1 97 HIS H . . 5.750 4.114 3.879 4.335 . 0 0 "[ . 1 . 2]" 1
2022 1 96 VAL HA 1 97 HIS H . . 2.720 2.194 2.182 2.228 . 0 0 "[ . 1 . 2]" 1
2023 1 96 VAL HB 1 97 HIS H . . 4.780 4.359 4.148 4.483 . 0 0 "[ . 1 . 2]" 1
2024 1 96 VAL MG1 1 97 HIS H . . 4.110 2.876 2.434 3.244 . 0 0 "[ . 1 . 2]" 1
2025 1 96 VAL MG1 1 97 HIS HA . . 6.450 3.759 3.456 3.986 . 0 0 "[ . 1 . 2]" 1
2026 1 96 VAL MG1 1 98 SER H . . 6.670 4.201 3.868 4.787 . 0 0 "[ . 1 . 2]" 1
2027 1 96 VAL MG1 1 98 SER HA . . 7.030 4.863 4.583 5.310 . 0 0 "[ . 1 . 2]" 1
2028 1 96 VAL MG1 1 98 SER HB2 . . 5.550 4.375 4.034 4.540 . 0 0 "[ . 1 . 2]" 1
2029 1 96 VAL MG1 1 98 SER HB3 . . 7.030 4.973 4.666 5.299 . 0 0 "[ . 1 . 2]" 1
2030 1 96 VAL MG2 1 97 HIS H . . 5.590 4.163 4.007 4.284 . 0 0 "[ . 1 . 2]" 1
2031 1 97 HIS H 1 97 HIS HB2 . . 3.980 2.942 2.734 3.314 . 0 0 "[ . 1 . 2]" 1
2032 1 97 HIS H 1 97 HIS HB3 . . 3.700 2.767 2.511 3.006 . 0 0 "[ . 1 . 2]" 1
2033 1 97 HIS H 1 98 SER H . . 5.570 4.289 4.063 4.440 . 0 0 "[ . 1 . 2]" 1
2034 1 97 HIS HA 1 97 HIS HD2 . . 4.310 2.394 2.066 3.048 . 0 0 "[ . 1 . 2]" 1
2035 1 97 HIS HA 1 98 SER H . . 2.940 2.201 2.186 2.252 . 0 0 "[ . 1 . 2]" 1
2036 1 97 HIS HB2 1 98 SER H . . 5.640 4.427 4.316 4.545 . 0 0 "[ . 1 . 2]" 1
2037 1 97 HIS HD2 1 98 SER H . . 4.270 2.988 2.545 3.961 . 0 0 "[ . 1 . 2]" 1
2038 1 97 HIS HD2 1 100 TRP HE1 . . 6.000 5.092 4.262 5.919 . 0 0 "[ . 1 . 2]" 1
2039 1 98 SER H 1 99 GLY H . . 6.000 4.444 4.388 4.516 . 0 0 "[ . 1 . 2]" 1
2040 1 98 SER HA 1 99 GLY H . . 3.520 2.529 2.420 2.635 . 0 0 "[ . 1 . 2]" 1
2041 1 98 SER HA 1 100 TRP H . . 4.560 4.123 3.235 4.556 . 0 0 "[ . 1 . 2]" 1
2042 1 98 SER HA 1 100 TRP HD1 . . 3.840 2.707 2.243 3.057 . 0 0 "[ . 1 . 2]" 1
2043 1 98 SER HA 1 100 TRP HE1 . . 6.000 3.464 2.620 4.774 . 0 0 "[ . 1 . 2]" 1
2044 1 98 SER HB2 1 99 GLY H . . 3.730 3.507 3.257 3.704 . 0 0 "[ . 1 . 2]" 1
2045 1 98 SER HB2 1 99 GLY HA2 . . 4.700 4.616 4.489 4.702 0.002 5 0 "[ . 1 . 2]" 1
2046 1 98 SER HB2 1 100 TRP H . . 6.000 5.543 5.319 5.832 . 0 0 "[ . 1 . 2]" 1
2047 1 98 SER HB3 1 99 GLY H . . 3.410 2.445 2.185 2.726 . 0 0 "[ . 1 . 2]" 1
2048 1 99 GLY H 1 100 TRP H . . 3.660 2.144 1.953 2.496 . 0 0 "[ . 1 . 2]" 1
2049 1 100 TRP H 1 100 TRP HB2 . . 3.230 2.702 2.399 2.900 . 0 0 "[ . 1 . 2]" 1
2050 1 100 TRP H 1 100 TRP HB3 . . 3.950 3.757 3.547 3.883 . 0 0 "[ . 1 . 2]" 1
2051 1 100 TRP H 1 100 TRP HD1 . . 3.160 2.910 2.408 3.160 . 0 0 "[ . 1 . 2]" 1
2052 1 100 TRP H 1 101 LYS H . . 5.500 4.445 4.372 4.670 . 0 0 "[ . 1 . 2]" 1
2053 1 100 TRP HA 1 101 LYS H . . 2.690 2.576 2.355 2.696 0.006 9 0 "[ . 1 . 2]" 1
2054 1 100 TRP HB2 1 101 LYS H . . 4.160 3.379 3.096 3.851 . 0 0 "[ . 1 . 2]" 1
2055 1 100 TRP HB3 1 101 LYS H . . 3.700 2.376 2.101 2.826 . 0 0 "[ . 1 . 2]" 1
2056 1 100 TRP HZ3 1 107 VAL MG2 . . 7.030 3.583 2.748 4.347 . 0 0 "[ . 1 . 2]" 1
2057 1 101 LYS H 1 101 LYS HB2 . . 3.300 2.645 2.467 2.864 . 0 0 "[ . 1 . 2]" 1
2058 1 101 LYS H 1 101 LYS HB3 . . 3.910 3.740 3.646 3.866 . 0 0 "[ . 1 . 2]" 1
2059 1 101 LYS H 1 101 LYS HD2 . . 5.140 4.617 4.223 4.981 . 0 0 "[ . 1 . 2]" 1
2060 1 101 LYS H 1 101 LYS QD . . 4.830 4.203 3.877 4.370 . 0 0 "[ . 1 . 2]" 1
2061 1 101 LYS H 1 101 LYS HD3 . . 5.140 4.878 4.516 5.135 . 0 0 "[ . 1 . 2]" 1
2062 1 101 LYS H 1 101 LYS QE . . 6.880 5.201 4.770 5.489 . 0 0 "[ . 1 . 2]" 1
2063 1 101 LYS H 1 101 LYS HG2 . . 3.950 3.757 3.461 3.928 . 0 0 "[ . 1 . 2]" 1
2064 1 101 LYS H 1 101 LYS QG . . 3.530 2.685 2.308 2.917 . 0 0 "[ . 1 . 2]" 1
2065 1 101 LYS H 1 101 LYS HG3 . . 3.950 2.752 2.339 3.013 . 0 0 "[ . 1 . 2]" 1
2066 1 101 LYS H 1 102 GLN H . . 4.960 4.294 3.980 4.424 . 0 0 "[ . 1 . 2]" 1
2067 1 101 LYS HA 1 101 LYS HD2 . . 5.600 4.827 4.699 4.959 . 0 0 "[ . 1 . 2]" 1
2068 1 101 LYS HA 1 101 LYS QD . . 5.010 4.036 3.837 4.192 . 0 0 "[ . 1 . 2]" 1
2069 1 101 LYS HA 1 101 LYS HD3 . . 5.600 4.329 4.056 4.528 . 0 0 "[ . 1 . 2]" 1
2070 1 101 LYS HA 1 101 LYS QG . . 3.790 2.399 2.252 2.597 . 0 0 "[ . 1 . 2]" 1
2071 1 101 LYS HA 1 102 GLN H . . 3.370 2.847 2.692 3.136 . 0 0 "[ . 1 . 2]" 1
2072 1 101 LYS HB2 1 101 LYS HD2 . . 3.520 3.027 2.559 3.530 0.010 2 0 "[ . 1 . 2]" 1
2073 1 101 LYS HB2 1 101 LYS QD . . 3.170 2.452 2.314 2.647 . 0 0 "[ . 1 . 2]" 1
2074 1 101 LYS HB2 1 101 LYS HD3 . . 3.520 2.670 2.375 2.995 . 0 0 "[ . 1 . 2]" 1
2075 1 101 LYS HB2 1 102 GLN H . . 3.590 2.881 2.057 3.252 . 0 0 "[ . 1 . 2]" 1
2076 1 101 LYS HB2 1 102 GLN QG . . 6.880 4.957 3.332 6.112 . 0 0 "[ . 1 . 2]" 1
2077 1 101 LYS HB2 1 105 THR HB . . 5.060 4.310 3.373 4.993 . 0 0 "[ . 1 . 2]" 1
2078 1 101 LYS HB2 1 105 THR MG . . 6.340 2.749 1.967 3.809 . 0 0 "[ . 1 . 2]" 1
2079 1 101 LYS HB3 1 102 GLN H . . 3.080 2.027 1.971 2.190 . 0 0 "[ . 1 . 2]" 1
2080 1 101 LYS HB3 1 105 THR HB . . 5.420 4.618 4.111 5.375 . 0 0 "[ . 1 . 2]" 1
2081 1 101 LYS HB3 1 105 THR MG . . 4.470 2.968 1.929 3.535 . 0 0 "[ . 1 . 2]" 1
2082 1 101 LYS QD 1 102 GLN H . . 5.600 4.067 3.851 4.295 . 0 0 "[ . 1 . 2]" 1
2083 1 101 LYS QD 1 105 THR MG . . 5.890 2.938 2.275 3.824 . 0 0 "[ . 1 . 2]" 1
2084 1 101 LYS HD2 1 102 GLN H . . 6.000 5.334 4.512 5.694 . 0 0 "[ . 1 . 2]" 1
2085 1 101 LYS HD3 1 102 GLN H . . 6.000 4.229 3.973 4.561 . 0 0 "[ . 1 . 2]" 1
2086 1 101 LYS QG 1 102 GLN H . . 5.600 3.911 3.797 3.983 . 0 0 "[ . 1 . 2]" 1
2087 1 101 LYS HG2 1 102 GLN H . . 6.000 4.202 3.997 4.435 . 0 0 "[ . 1 . 2]" 1
2088 1 101 LYS HG3 1 102 GLN H . . 6.000 4.687 4.373 4.808 . 0 0 "[ . 1 . 2]" 1
2089 1 102 GLN H 1 102 GLN QG . . 5.040 2.903 1.934 3.973 . 0 0 "[ . 1 . 2]" 1
2090 1 102 GLN H 1 103 GLY H . . 5.680 4.646 4.572 4.674 . 0 0 "[ . 1 . 2]" 1
2091 1 102 GLN H 1 105 THR H . . 5.030 4.708 4.305 5.057 0.027 6 0 "[ . 1 . 2]" 1
2092 1 102 GLN H 1 105 THR HB . . 5.710 4.780 3.409 5.576 . 0 0 "[ . 1 . 2]" 1
2093 1 102 GLN H 1 105 THR MG . . 5.660 3.053 1.982 3.662 . 0 0 "[ . 1 . 2]" 1
2094 1 102 GLN HA 1 103 GLY H . . 2.940 2.372 2.252 2.571 . 0 0 "[ . 1 . 2]" 1
2095 1 102 GLN HA 1 104 ASP H . . 4.990 4.633 4.133 4.999 0.009 10 0 "[ . 1 . 2]" 1
2096 1 102 GLN QB 1 104 ASP H . . 5.540 3.659 2.636 4.803 . 0 0 "[ . 1 . 2]" 1
2097 1 102 GLN QB 1 105 THR H . . 5.540 3.653 2.393 4.748 . 0 0 "[ . 1 . 2]" 1
2098 1 102 GLN QB 1 105 THR MG . . 7.150 3.213 2.024 4.630 . 0 0 "[ . 1 . 2]" 1
2099 1 102 GLN QE 1 104 ASP H . . 5.030 4.051 3.770 4.313 . 0 0 "[ . 1 . 2]" 1
2100 1 102 GLN QG 1 103 GLY H . . 6.620 3.232 2.010 4.153 . 0 0 "[ . 1 . 2]" 1
2101 1 102 GLN QG 1 104 ASP H . . 5.760 3.768 2.037 5.162 . 0 0 "[ . 1 . 2]" 1
2102 1 102 GLN QG 1 105 THR H . . 6.880 3.787 1.998 5.856 . 0 0 "[ . 1 . 2]" 1
2103 1 102 GLN QG 1 105 THR MG . . 7.260 3.517 1.794 4.891 . 0 0 "[ . 1 . 2]" 1
2104 1 103 GLY H 1 104 ASP H . . 4.200 3.635 2.507 4.109 . 0 0 "[ . 1 . 2]" 1
2105 1 104 ASP H 1 104 ASP HB2 . . 3.660 3.045 2.166 3.717 0.057 13 0 "[ . 1 . 2]" 1
2106 1 104 ASP H 1 104 ASP HB3 . . 3.880 3.430 2.798 3.790 . 0 0 "[ . 1 . 2]" 1
2107 1 104 ASP H 1 105 THR H . . 3.300 2.099 1.877 2.871 . 0 0 "[ . 1 . 2]" 1
2108 1 104 ASP H 1 105 THR HA . . 5.640 4.484 4.205 5.362 . 0 0 "[ . 1 . 2]" 1
2109 1 104 ASP HB2 1 105 THR H . . 5.640 3.334 2.447 4.574 . 0 0 "[ . 1 . 2]" 1
2110 1 104 ASP HB3 1 105 THR H . . 5.390 2.932 2.072 4.500 . 0 0 "[ . 1 . 2]" 1
2111 1 105 THR H 1 105 THR HB . . 3.660 2.898 2.189 3.499 . 0 0 "[ . 1 . 2]" 1
2112 1 105 THR H 1 105 THR MG . . 4.080 2.255 1.951 2.734 . 0 0 "[ . 1 . 2]" 1
2113 1 105 THR H 1 106 LYS H . . 4.850 4.437 1.912 4.671 . 0 0 "[ . 1 . 2]" 1
2114 1 105 THR HA 1 105 THR HB . . 2.940 2.565 2.476 2.724 . 0 0 "[ . 1 . 2]" 1
2115 1 105 THR HA 1 105 THR MG . . 3.750 2.882 2.273 3.239 . 0 0 "[ . 1 . 2]" 1
2116 1 105 THR HA 1 106 LYS H . . 3.050 2.464 2.151 3.181 0.131 17 0 "[ . 1 . 2]" 1
2117 1 105 THR HB 1 106 LYS H . . 4.240 3.631 2.334 4.315 0.075 17 0 "[ . 1 . 2]" 1
2118 1 105 THR MG 1 106 LYS H . . 5.730 3.494 2.380 4.348 . 0 0 "[ . 1 . 2]" 1
2119 1 106 LYS H 1 106 LYS HB2 . . 4.160 3.022 2.354 3.581 . 0 0 "[ . 1 . 2]" 1
2120 1 106 LYS H 1 106 LYS QB . . 3.870 2.419 2.179 2.830 . 0 0 "[ . 1 . 2]" 1
2121 1 106 LYS H 1 106 LYS HB3 . . 4.160 2.593 2.317 3.641 . 0 0 "[ . 1 . 2]" 1
2122 1 106 LYS HA 1 107 VAL H . . 2.760 2.410 2.316 2.791 0.031 16 0 "[ . 1 . 2]" 1
2123 1 106 LYS HA 1 107 VAL MG2 . . 5.550 3.323 3.102 3.668 . 0 0 "[ . 1 . 2]" 1
2124 1 106 LYS HA 1 113 GLU H . . 4.920 4.829 4.607 4.920 0.000 10 0 "[ . 1 . 2]" 1
2125 1 106 LYS HA 1 113 GLU HA . . 2.830 2.181 2.048 2.347 . 0 0 "[ . 1 . 2]" 1
2126 1 106 LYS HA 1 113 GLU QG . . 6.880 3.333 2.335 4.228 . 0 0 "[ . 1 . 2]" 1
2127 1 106 LYS QB 1 113 GLU HA . . 5.070 3.153 2.404 3.831 . 0 0 "[ . 1 . 2]" 1
2128 1 106 LYS HB2 1 107 VAL H . . 4.020 3.861 2.407 4.030 0.010 7 0 "[ . 1 . 2]" 1
2129 1 106 LYS HB2 1 113 GLU HA . . 5.460 3.238 2.439 4.005 . 0 0 "[ . 1 . 2]" 1
2130 1 106 LYS HB3 1 107 VAL H . . 4.020 3.853 3.253 4.025 0.005 13 0 "[ . 1 . 2]" 1
2131 1 106 LYS HB3 1 113 GLU HA . . 5.460 4.386 3.638 4.877 . 0 0 "[ . 1 . 2]" 1
2132 1 106 LYS QD 1 107 VAL H . . 6.880 4.039 3.767 4.250 . 0 0 "[ . 1 . 2]" 1
2133 1 106 LYS QD 1 108 GLU HA . . 6.880 5.205 3.886 6.029 . 0 0 "[ . 1 . 2]" 1
2134 1 106 LYS QE 1 108 GLU HA . . 6.880 4.507 3.188 6.097 . 0 0 "[ . 1 . 2]" 1
2135 1 106 LYS QG 1 107 VAL MG2 . . 5.350 3.739 3.363 3.910 . 0 0 "[ . 1 . 2]" 1
2136 1 106 LYS HG2 1 107 VAL H . . 5.420 2.432 2.042 3.070 . 0 0 "[ . 1 . 2]" 1
2137 1 106 LYS HG2 1 108 GLU HA . . 6.000 4.042 3.302 4.490 . 0 0 "[ . 1 . 2]" 1
2138 1 106 LYS HG3 1 107 VAL H . . 5.420 2.226 1.947 2.819 . 0 0 "[ . 1 . 2]" 1
2139 1 106 LYS HG3 1 108 GLU HA . . 6.000 5.524 4.421 5.999 . 0 0 "[ . 1 . 2]" 1
2140 1 107 VAL H 1 107 VAL HB . . 3.520 2.474 2.271 2.719 . 0 0 "[ . 1 . 2]" 1
2141 1 107 VAL H 1 107 VAL MG2 . . 4.220 2.335 1.908 2.724 . 0 0 "[ . 1 . 2]" 1
2142 1 107 VAL H 1 108 GLU H . . 5.780 4.372 3.702 4.632 . 0 0 "[ . 1 . 2]" 1
2143 1 107 VAL H 1 113 GLU HA . . 3.550 2.902 2.143 3.551 0.001 17 0 "[ . 1 . 2]" 1
2144 1 107 VAL HA 1 107 VAL MG1 . . 3.680 2.364 2.069 2.486 . 0 0 "[ . 1 . 2]" 1
2145 1 107 VAL HA 1 107 VAL MG2 . . 3.750 2.420 2.180 2.598 . 0 0 "[ . 1 . 2]" 1
2146 1 107 VAL HA 1 108 GLU H . . 2.720 2.242 2.184 2.502 . 0 0 "[ . 1 . 2]" 1
2147 1 107 VAL HA 1 108 GLU QB . . 5.440 4.246 3.971 4.645 . 0 0 "[ . 1 . 2]" 1
2148 1 107 VAL HB 1 108 GLU H . . 5.320 4.281 3.489 4.532 . 0 0 "[ . 1 . 2]" 1
2149 1 107 VAL HB 1 110 ALA MB . . 3.930 2.634 1.904 3.009 . 0 0 "[ . 1 . 2]" 1
2150 1 107 VAL HB 1 112 ALA H . . 4.960 4.008 2.678 4.931 . 0 0 "[ . 1 . 2]" 1
2151 1 107 VAL MG1 1 108 GLU H . . 5.370 2.855 1.871 3.745 . 0 0 "[ . 1 . 2]" 1
2152 1 107 VAL MG1 1 109 LYS H . . 5.440 2.490 1.931 3.104 . 0 0 "[ . 1 . 2]" 1
2153 1 107 VAL MG1 1 110 ALA H . . 5.050 2.355 1.887 3.543 . 0 0 "[ . 1 . 2]" 1
2154 1 107 VAL MG1 1 110 ALA MB . . 5.500 2.295 1.952 2.750 . 0 0 "[ . 1 . 2]" 1
2155 1 107 VAL MG2 1 108 GLU H . . 5.770 4.185 3.743 4.378 . 0 0 "[ . 1 . 2]" 1
2156 1 107 VAL MG2 1 109 LYS HB3 . . 6.700 5.258 5.085 5.544 . 0 0 "[ . 1 . 2]" 1
2157 1 107 VAL MG2 1 113 GLU HA . . 5.730 3.616 2.730 4.438 . 0 0 "[ . 1 . 2]" 1
2158 1 108 GLU H 1 108 GLU HG2 . . 4.700 3.266 1.956 4.626 . 0 0 "[ . 1 . 2]" 1
2159 1 108 GLU H 1 108 GLU QG . . 4.440 2.929 1.944 4.018 . 0 0 "[ . 1 . 2]" 1
2160 1 108 GLU H 1 108 GLU HG3 . . 4.700 3.728 2.261 4.546 . 0 0 "[ . 1 . 2]" 1
2161 1 108 GLU H 1 109 LYS H . . 4.600 3.192 2.258 3.799 . 0 0 "[ . 1 . 2]" 1
2162 1 108 GLU QB 1 109 LYS HA . . 6.590 4.573 3.720 4.906 . 0 0 "[ . 1 . 2]" 1
2163 1 108 GLU QG 1 109 LYS HA . . 5.440 4.280 3.159 4.809 . 0 0 "[ . 1 . 2]" 1
2164 1 108 GLU HG2 1 109 LYS H . . 6.000 4.272 2.249 5.458 . 0 0 "[ . 1 . 2]" 1
2165 1 108 GLU HG3 1 109 LYS H . . 6.000 4.396 1.957 5.447 . 0 0 "[ . 1 . 2]" 1
2166 1 109 LYS H 1 109 LYS HB2 . . 3.700 3.012 2.101 3.558 . 0 0 "[ . 1 . 2]" 1
2167 1 109 LYS H 1 109 LYS HB3 . . 4.160 3.067 2.465 3.473 . 0 0 "[ . 1 . 2]" 1
2168 1 109 LYS H 1 109 LYS HD2 . . 6.000 5.204 3.759 5.911 . 0 0 "[ . 1 . 2]" 1
2169 1 109 LYS H 1 109 LYS HD3 . . 6.000 5.263 4.630 5.915 . 0 0 "[ . 1 . 2]" 1
2170 1 109 LYS H 1 109 LYS HG2 . . 5.680 4.721 4.320 5.274 . 0 0 "[ . 1 . 2]" 1
2171 1 109 LYS H 1 109 LYS QG . . 4.930 4.155 3.794 4.378 . 0 0 "[ . 1 . 2]" 1
2172 1 109 LYS H 1 109 LYS HG3 . . 5.680 4.679 4.202 5.299 . 0 0 "[ . 1 . 2]" 1
2173 1 109 LYS H 1 110 ALA H . . 4.420 2.716 2.081 3.277 . 0 0 "[ . 1 . 2]" 1
2174 1 109 LYS H 1 110 ALA MB . . 7.030 3.961 3.318 4.668 . 0 0 "[ . 1 . 2]" 1
2175 1 109 LYS HA 1 109 LYS HG2 . . 3.660 2.889 2.042 3.662 0.002 4 0 "[ . 1 . 2]" 1
2176 1 109 LYS HA 1 109 LYS QG . . 3.430 2.222 1.995 2.582 . 0 0 "[ . 1 . 2]" 1
2177 1 109 LYS HA 1 109 LYS HG3 . . 3.660 2.615 2.014 3.548 . 0 0 "[ . 1 . 2]" 1
2178 1 110 ALA H 1 111 GLY H . . 3.700 3.076 2.513 3.731 0.031 6 0 "[ . 1 . 2]" 1
2179 1 110 ALA MB 1 111 GLY HA2 . . 7.030 4.303 4.116 4.724 . 0 0 "[ . 1 . 2]" 1
2180 1 110 ALA MB 1 111 GLY HA3 . . 7.030 4.118 3.867 4.780 . 0 0 "[ . 1 . 2]" 1
2181 1 110 ALA MB 1 112 ALA MB . . 7.160 3.487 2.623 4.759 . 0 0 "[ . 1 . 2]" 1
2182 1 111 GLY H 1 112 ALA H . . 3.770 2.537 1.900 3.627 . 0 0 "[ . 1 . 2]" 1
2183 1 112 ALA H 1 113 GLU H . . 5.030 4.477 4.220 4.656 . 0 0 "[ . 1 . 2]" 1
2184 1 112 ALA HA 1 113 GLU H . . 2.760 2.467 2.369 2.744 . 0 0 "[ . 1 . 2]" 1
2185 1 112 ALA MB 1 113 GLU H . . 3.430 2.546 1.962 2.807 . 0 0 "[ . 1 . 2]" 1
2186 1 112 ALA MB 1 113 GLU HA . . 5.910 4.335 4.136 4.472 . 0 0 "[ . 1 . 2]" 1
2187 1 113 GLU H 1 113 GLU HB2 . . 3.080 2.382 2.053 2.567 . 0 0 "[ . 1 . 2]" 1
2188 1 113 GLU H 1 113 GLU HB3 . . 3.700 3.541 3.345 3.643 . 0 0 "[ . 1 . 2]" 1
2189 1 113 GLU H 1 113 GLU QG . . 3.820 2.477 2.072 3.078 . 0 0 "[ . 1 . 2]" 1
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