NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381694 |
1j6q   |
5007 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j6q
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 1796
_Distance_constraint_stats_list.Viol_count 88
_Distance_constraint_stats_list.Viol_total 9.198
_Distance_constraint_stats_list.Viol_max 0.495
_Distance_constraint_stats_list.Viol_rms 0.0333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.1045
_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 7 SER 0.000 0.000 . 0 "[ ]"
1 8 ASN 0.000 0.000 . 0 "[ ]"
1 9 LEU 0.000 0.000 . 0 "[ ]"
1 10 ASN 0.000 0.000 . 0 "[ ]"
1 11 LEU 0.027 0.027 1 0 "[ ]"
1 12 PHE 0.218 0.079 1 0 "[ ]"
1 13 TYR 0.000 0.000 . 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 15 PRO 0.387 0.324 1 0 "[ ]"
1 16 SER 0.111 0.083 1 0 "[ ]"
1 17 GLU 0.259 0.259 1 0 "[ ]"
1 18 ILE 0.365 0.142 1 0 "[ ]"
1 19 VAL 0.263 0.263 1 0 "[ ]"
1 20 ASN 0.481 0.263 1 0 "[ ]"
1 21 GLY 0.231 0.140 1 0 "[ ]"
1 22 LYS 0.900 0.259 1 0 "[ ]"
1 23 THR 0.043 0.028 1 0 "[ ]"
1 24 ASP 0.002 0.002 1 0 "[ ]"
1 25 THR 0.005 0.005 1 0 "[ ]"
1 26 GLY 0.103 0.091 1 0 "[ ]"
1 27 VAL 0.096 0.096 1 0 "[ ]"
1 28 LYS 0.078 0.049 1 0 "[ ]"
1 29 PRO 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.276 0.269 1 0 "[ ]"
1 31 ALA 0.028 0.028 1 0 "[ ]"
1 32 GLY 0.000 0.000 . 0 "[ ]"
1 33 GLN 0.303 0.269 1 0 "[ ]"
1 34 ARG 0.466 0.454 1 0 "[ ]"
1 35 ILE 0.087 0.067 1 0 "[ ]"
1 36 ARG 0.305 0.139 1 0 "[ ]"
1 37 VAL 0.000 0.000 . 0 "[ ]"
1 38 GLY 0.166 0.105 1 0 "[ ]"
1 39 GLY 0.010 0.010 1 0 "[ ]"
1 40 MET 0.012 0.012 1 0 "[ ]"
1 41 VAL 0.065 0.065 1 0 "[ ]"
1 42 THR 0.036 0.036 1 0 "[ ]"
1 43 VAL 0.047 0.036 1 0 "[ ]"
1 44 GLY 0.000 0.000 . 0 "[ ]"
1 45 SER 0.060 0.048 1 0 "[ ]"
1 46 MET 0.175 0.124 1 0 "[ ]"
1 47 VAL 0.012 0.012 1 0 "[ ]"
1 48 ARG 0.198 0.143 1 0 "[ ]"
1 49 ASP 0.138 0.138 1 0 "[ ]"
1 50 PRO 0.495 0.495 1 0 "[ ]"
1 51 ASN 0.000 0.000 . 0 "[ ]"
1 52 SER 0.014 0.014 1 0 "[ ]"
1 53 LEU 1.055 0.495 1 0 "[ ]"
1 54 HIS 0.876 0.428 1 0 "[ ]"
1 55 VAL 0.291 0.143 1 0 "[ ]"
1 56 GLN 0.234 0.085 1 0 "[ ]"
1 57 PHE 0.159 0.056 1 0 "[ ]"
1 58 ALA 0.001 0.001 1 0 "[ ]"
1 59 VAL 0.422 0.324 1 0 "[ ]"
1 60 HIS 0.000 0.000 . 0 "[ ]"
1 61 ASP 0.072 0.072 1 0 "[ ]"
1 63 LEU 0.210 0.138 1 0 "[ ]"
1 64 GLY 0.000 0.000 . 0 "[ ]"
1 65 GLY 0.138 0.138 1 0 "[ ]"
1 66 GLU 0.000 0.000 . 0 "[ ]"
1 67 ILE 0.361 0.361 1 0 "[ ]"
1 68 LEU 0.111 0.097 1 0 "[ ]"
1 69 VAL 0.001 0.001 1 0 "[ ]"
1 70 THR 0.198 0.106 1 0 "[ ]"
1 71 TYR 0.316 0.316 1 0 "[ ]"
1 72 ASP 0.843 0.428 1 0 "[ ]"
1 73 ASP 0.595 0.316 1 0 "[ ]"
1 74 LEU 0.552 0.308 1 0 "[ ]"
1 75 LEU 0.451 0.216 1 0 "[ ]"
1 76 PRO 0.000 0.000 . 0 "[ ]"
1 77 ASP 0.167 0.167 1 0 "[ ]"
1 78 LEU 0.167 0.167 1 0 "[ ]"
1 79 PHE 0.000 0.000 . 0 "[ ]"
1 80 ARG 0.000 0.000 . 0 "[ ]"
1 81 GLU 0.000 0.000 . 0 "[ ]"
1 82 GLY 0.000 0.000 . 0 "[ ]"
1 83 GLN 0.269 0.155 1 0 "[ ]"
1 84 GLY 0.065 0.065 1 0 "[ ]"
1 85 ILE 0.064 0.048 1 0 "[ ]"
1 86 VAL 0.010 0.010 1 0 "[ ]"
1 87 ALA 0.166 0.105 1 0 "[ ]"
1 88 GLN 0.142 0.079 1 0 "[ ]"
1 89 GLY 0.020 0.020 1 0 "[ ]"
1 90 VAL 0.548 0.454 1 0 "[ ]"
1 91 LEU 0.116 0.086 1 0 "[ ]"
1 92 GLY 0.215 0.214 1 0 "[ ]"
1 93 GLU 0.000 0.000 . 0 "[ ]"
1 94 ASP 0.326 0.214 1 0 "[ ]"
1 95 GLY 0.112 0.059 1 0 "[ ]"
1 96 LYS 0.376 0.361 1 0 "[ ]"
1 97 LEU 0.037 0.037 1 0 "[ ]"
1 98 ALA 0.209 0.106 1 0 "[ ]"
1 99 ALA 0.000 0.000 . 0 "[ ]"
1 100 THR 0.055 0.055 1 0 "[ ]"
1 101 GLU 0.064 0.064 1 0 "[ ]"
1 102 VAL 0.229 0.181 1 0 "[ ]"
1 103 LEU 0.021 0.021 1 0 "[ ]"
1 104 ALA 0.021 0.021 1 0 "[ ]"
1 105 LYS 0.000 0.000 . 0 "[ ]"
1 106 HIS 0.155 0.155 1 0 "[ ]"
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 7 SER H 1 8 ASN H . . 4.900 4.201 4.201 4.201 . 0 0 "[ ]" 1
2 1 7 SER HA 1 8 ASN H . . 5.200 3.597 3.597 3.597 . 0 0 "[ ]" 1
3 1 8 ASN H 1 8 ASN HA . . 2.900 2.797 2.797 2.797 . 0 0 "[ ]" 1
4 1 8 ASN H 1 8 ASN HB3 . . 4.200 3.634 3.634 3.634 . 0 0 "[ ]" 1
5 1 9 LEU H 1 9 LEU HG . . 4.700 2.959 2.959 2.959 . 0 0 "[ ]" 1
6 1 9 LEU H 1 10 ASN H . . 4.900 3.678 3.678 3.678 . 0 0 "[ ]" 1
7 1 9 LEU HA 1 9 LEU MD1 . . 4.100 3.542 3.542 3.542 . 0 0 "[ ]" 1
8 1 9 LEU QB 1 10 ASN HA . . 4.600 4.567 4.567 4.567 . 0 0 "[ ]" 1
9 1 9 LEU MD2 1 10 ASN HA . . 6.800 6.361 6.361 6.361 . 0 0 "[ ]" 1
10 1 10 ASN H 1 11 LEU H . . 4.300 3.698 3.698 3.698 . 0 0 "[ ]" 1
11 1 10 ASN HA 1 10 ASN HD22 . . 5.400 4.552 4.552 4.552 . 0 0 "[ ]" 1
12 1 10 ASN HA 1 11 LEU H . . 3.900 2.531 2.531 2.531 . 0 0 "[ ]" 1
13 1 10 ASN HB3 1 11 LEU H . . 5.200 4.364 4.364 4.364 . 0 0 "[ ]" 1
14 1 11 LEU H 1 11 LEU HB2 . . 4.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
15 1 11 LEU H 1 11 LEU MD1 . . 5.700 4.146 4.146 4.146 . 0 0 "[ ]" 1
16 1 11 LEU H 1 11 LEU MD2 . . 5.300 1.975 1.975 1.975 . 0 0 "[ ]" 1
17 1 11 LEU H 1 11 LEU HG . . 4.300 3.619 3.619 3.619 . 0 0 "[ ]" 1
18 1 11 LEU H 1 12 PHE H . . 5.500 4.526 4.526 4.526 . 0 0 "[ ]" 1
19 1 11 LEU H 1 35 ILE HA . . 4.300 3.047 3.047 3.047 . 0 0 "[ ]" 1
20 1 11 LEU H 1 35 ILE MG . . 7.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
21 1 11 LEU H 1 36 ARG H . . 3.500 3.527 3.527 3.527 0.027 1 0 "[ ]" 1
22 1 11 LEU HA 1 11 LEU MD2 . . 4.800 3.695 3.695 3.695 . 0 0 "[ ]" 1
23 1 11 LEU HA 1 12 PHE H . . 3.100 2.366 2.366 2.366 . 0 0 "[ ]" 1
24 1 11 LEU QB 1 12 PHE H . . 6.200 2.421 2.421 2.421 . 0 0 "[ ]" 1
25 1 11 LEU HB2 1 12 PHE H . . 5.800 2.446 2.446 2.446 . 0 0 "[ ]" 1
26 1 11 LEU MD1 1 12 PHE H . . 6.700 3.776 3.776 3.776 . 0 0 "[ ]" 1
27 1 11 LEU MD1 1 13 TYR CG . . 9.000 3.946 3.946 3.946 . 0 0 "[ ]" 1
28 1 11 LEU MD2 1 12 PHE H . . 7.000 4.260 4.260 4.260 . 0 0 "[ ]" 1
29 1 11 LEU MD2 1 13 TYR CG . . 9.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
30 1 11 LEU MD2 1 35 ILE HB . . 5.000 3.014 3.014 3.014 . 0 0 "[ ]" 1
31 1 11 LEU MD2 1 35 ILE MG . . 6.200 2.852 2.852 2.852 . 0 0 "[ ]" 1
32 1 11 LEU HG 1 12 PHE H . . 6.000 3.135 3.135 3.135 . 0 0 "[ ]" 1
33 1 11 LEU HG 1 13 TYR CG . . 8.000 4.022 4.022 4.022 . 0 0 "[ ]" 1
34 1 11 LEU HG 1 13 TYR HB3 . . 6.000 4.788 4.788 4.788 . 0 0 "[ ]" 1
35 1 12 PHE CG 1 36 ARG HB3 . . 8.000 4.755 4.755 4.755 . 0 0 "[ ]" 1
36 1 12 PHE CG 1 36 ARG QD . . 9.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
37 1 12 PHE CZ 1 12 PHE H . . 7.000 5.142 5.142 5.142 . 0 0 "[ ]" 1
38 1 12 PHE CZ 1 36 ARG QD . . 9.000 2.763 2.763 2.763 . 0 0 "[ ]" 1
39 1 12 PHE CZ 1 88 GLN HE21 . . 7.400 6.461 6.461 6.461 . 0 0 "[ ]" 1
40 1 12 PHE CZ 1 103 LEU MD1 . . 9.000 6.938 6.938 6.938 . 0 0 "[ ]" 1
41 1 12 PHE CZ 1 103 LEU MD2 . . 9.000 4.738 4.738 4.738 . 0 0 "[ ]" 1
42 1 12 PHE H 1 12 PHE HB2 . . 4.200 2.464 2.464 2.464 . 0 0 "[ ]" 1
43 1 12 PHE H 1 12 PHE HB3 . . 4.400 3.621 3.621 3.621 . 0 0 "[ ]" 1
44 1 12 PHE H 1 13 TYR H . . 6.000 4.401 4.401 4.401 . 0 0 "[ ]" 1
45 1 12 PHE HA 1 13 TYR H . . 3.200 2.208 2.208 2.208 . 0 0 "[ ]" 1
46 1 12 PHE HA 1 36 ARG H . . 3.400 3.461 3.461 3.461 0.061 1 0 "[ ]" 1
47 1 12 PHE HA 1 36 ARG HB2 . . 6.000 2.210 2.210 2.210 . 0 0 "[ ]" 1
48 1 12 PHE HA 1 36 ARG HB3 . . 6.000 3.892 3.892 3.892 . 0 0 "[ ]" 1
49 1 12 PHE HA 1 36 ARG QD . . 7.000 3.813 3.813 3.813 . 0 0 "[ ]" 1
50 1 12 PHE HA 1 36 ARG HG2 . . 6.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
51 1 12 PHE HA 1 36 ARG HG3 . . 6.000 3.750 3.750 3.750 . 0 0 "[ ]" 1
52 1 12 PHE HB2 1 13 TYR H . . 5.900 4.341 4.341 4.341 . 0 0 "[ ]" 1
53 1 12 PHE HB2 1 36 ARG HB2 . . 6.000 4.780 4.780 4.780 . 0 0 "[ ]" 1
54 1 12 PHE HB2 1 36 ARG HG3 . . 6.000 5.993 5.993 5.993 . 0 0 "[ ]" 1
55 1 12 PHE HB3 1 13 TYR H . . 5.600 3.582 3.582 3.582 . 0 0 "[ ]" 1
56 1 12 PHE HB3 1 36 ARG HB2 . . 6.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
57 1 12 PHE HB3 1 36 ARG HB3 . . 6.000 5.331 5.331 5.331 . 0 0 "[ ]" 1
58 1 12 PHE HZ 1 36 ARG HG2 . . 6.000 6.078 6.078 6.078 0.078 1 0 "[ ]" 1
59 1 12 PHE HZ 1 86 VAL MG1 . . 7.000 4.783 4.783 4.783 . 0 0 "[ ]" 1
60 1 12 PHE HZ 1 86 VAL MG2 . . 7.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
61 1 12 PHE HZ 1 88 GLN HE21 . . 6.000 6.079 6.079 6.079 0.079 1 0 "[ ]" 1
62 1 13 TYR CG 1 14 THR H . . 8.000 3.644 3.644 3.644 . 0 0 "[ ]" 1
63 1 13 TYR CG 1 17 GLU HB2 . . 8.000 4.636 4.636 4.636 . 0 0 "[ ]" 1
64 1 13 TYR CG 1 35 ILE HB . . 8.000 5.043 5.043 5.043 . 0 0 "[ ]" 1
65 1 13 TYR CG 1 35 ILE MD . . 9.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
66 1 13 TYR CG 1 35 ILE MG . . 9.000 5.036 5.036 5.036 . 0 0 "[ ]" 1
67 1 13 TYR CZ 1 13 TYR H . . 7.000 6.924 6.924 6.924 . 0 0 "[ ]" 1
68 1 13 TYR H 1 13 TYR HB2 . . 3.600 2.506 2.506 2.506 . 0 0 "[ ]" 1
69 1 13 TYR H 1 14 THR H . . 6.000 4.524 4.524 4.524 . 0 0 "[ ]" 1
70 1 13 TYR H 1 36 ARG H . . 3.800 3.765 3.765 3.765 . 0 0 "[ ]" 1
71 1 13 TYR H 1 37 VAL HA . . 3.300 2.879 2.879 2.879 . 0 0 "[ ]" 1
72 1 13 TYR H 1 38 GLY H . . 3.600 3.329 3.329 3.329 . 0 0 "[ ]" 1
73 1 13 TYR HA 1 14 THR H . . 3.400 2.313 2.313 2.313 . 0 0 "[ ]" 1
74 1 13 TYR HB2 1 14 THR H . . 6.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
75 1 13 TYR HB2 1 18 ILE MD . . 7.000 4.611 4.611 4.611 . 0 0 "[ ]" 1
76 1 13 TYR HB3 1 14 THR H . . 4.700 3.655 3.655 3.655 . 0 0 "[ ]" 1
77 1 13 TYR HB3 1 18 ILE MD . . 7.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
78 1 14 THR H 1 14 THR MG . . 4.300 2.878 2.878 2.878 . 0 0 "[ ]" 1
79 1 14 THR H 1 17 GLU H . . 6.000 4.210 4.210 4.210 . 0 0 "[ ]" 1
80 1 14 THR H 1 17 GLU HB3 . . 5.300 3.484 3.484 3.484 . 0 0 "[ ]" 1
81 1 14 THR HA 1 14 THR MG . . 3.600 2.218 2.218 2.218 . 0 0 "[ ]" 1
82 1 14 THR HA 1 15 PRO HD2 . . 5.600 2.279 2.279 2.279 . 0 0 "[ ]" 1
83 1 14 THR HA 1 15 PRO HD3 . . 4.700 2.571 2.571 2.571 . 0 0 "[ ]" 1
84 1 14 THR HA 1 15 PRO HG2 . . 6.000 4.473 4.473 4.473 . 0 0 "[ ]" 1
85 1 14 THR HA 1 15 PRO HG3 . . 6.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
86 1 14 THR HA 1 37 VAL MG2 . . 7.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
87 1 14 THR HA 1 38 GLY H . . 3.500 3.178 3.178 3.178 . 0 0 "[ ]" 1
88 1 14 THR HB 1 15 PRO HD2 . . 5.200 2.868 2.868 2.868 . 0 0 "[ ]" 1
89 1 14 THR HB 1 15 PRO HD3 . . 6.000 4.248 4.248 4.248 . 0 0 "[ ]" 1
90 1 14 THR HB 1 16 SER H . . 6.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
91 1 14 THR HB 1 61 ASP HB3 . . 6.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
92 1 14 THR MG 1 15 PRO HD2 . . 7.000 2.583 2.583 2.583 . 0 0 "[ ]" 1
93 1 14 THR MG 1 15 PRO HD3 . . 6.500 3.773 3.773 3.773 . 0 0 "[ ]" 1
94 1 14 THR MG 1 15 PRO HG2 . . 7.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
95 1 14 THR MG 1 17 GLU H . . 6.100 4.451 4.451 4.451 . 0 0 "[ ]" 1
96 1 14 THR MG 1 17 GLU HB2 . . 7.000 4.322 4.322 4.322 . 0 0 "[ ]" 1
97 1 15 PRO HA 1 15 PRO HD2 . . 4.000 4.063 4.063 4.063 0.063 1 0 "[ ]" 1
98 1 15 PRO HA 1 15 PRO HD3 . . 4.600 3.349 3.349 3.349 . 0 0 "[ ]" 1
99 1 15 PRO HA 1 16 SER H . . 4.500 3.638 3.638 3.638 . 0 0 "[ ]" 1
100 1 15 PRO HA 1 17 GLU H . . 6.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
101 1 15 PRO HA 1 18 ILE H . . 5.400 3.419 3.419 3.419 . 0 0 "[ ]" 1
102 1 15 PRO HA 1 18 ILE MD . . 5.400 2.611 2.611 2.611 . 0 0 "[ ]" 1
103 1 15 PRO HA 1 18 ILE HG12 . . 6.000 2.344 2.344 2.344 . 0 0 "[ ]" 1
104 1 15 PRO HA 1 18 ILE HG13 . . 6.000 2.427 2.427 2.427 . 0 0 "[ ]" 1
105 1 15 PRO HA 1 18 ILE MG . . 7.000 4.343 4.343 4.343 . 0 0 "[ ]" 1
106 1 15 PRO HA 1 37 VAL MG1 . . 7.000 4.873 4.873 4.873 . 0 0 "[ ]" 1
107 1 15 PRO HA 1 37 VAL MG2 . . 7.000 2.488 2.488 2.488 . 0 0 "[ ]" 1
108 1 15 PRO HA 1 67 ILE MG . . 6.300 3.175 3.175 3.175 . 0 0 "[ ]" 1
109 1 15 PRO QB 1 16 SER H . . 5.400 2.995 2.995 2.995 . 0 0 "[ ]" 1
110 1 15 PRO QB 1 18 ILE MD . . 8.000 3.641 3.641 3.641 . 0 0 "[ ]" 1
111 1 15 PRO QB 1 18 ILE HG12 . . 7.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
112 1 15 PRO QB 1 18 ILE HG13 . . 7.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
113 1 15 PRO QB 1 37 VAL MG1 . . 8.000 4.256 4.256 4.256 . 0 0 "[ ]" 1
114 1 15 PRO QB 1 37 VAL MG2 . . 8.000 2.418 2.418 2.418 . 0 0 "[ ]" 1
115 1 15 PRO QB 1 59 VAL MG2 . . 8.000 4.862 4.862 4.862 . 0 0 "[ ]" 1
116 1 15 PRO QB 1 60 HIS HA . . 7.000 2.708 2.708 2.708 . 0 0 "[ ]" 1
117 1 15 PRO QB 1 66 GLU HA . . 7.000 3.392 3.392 3.392 . 0 0 "[ ]" 1
118 1 15 PRO QB 1 67 ILE H . . 7.000 2.869 2.869 2.869 . 0 0 "[ ]" 1
119 1 15 PRO QB 1 67 ILE MG . . 7.300 2.552 2.552 2.552 . 0 0 "[ ]" 1
120 1 15 PRO HD2 1 16 SER H . . 6.000 3.088 3.088 3.088 . 0 0 "[ ]" 1
121 1 15 PRO HD2 1 17 GLU HB2 . . 6.000 5.808 5.808 5.808 . 0 0 "[ ]" 1
122 1 15 PRO HD2 1 37 VAL MG1 . . 7.000 6.186 6.186 6.186 . 0 0 "[ ]" 1
123 1 15 PRO HD2 1 39 GLY HA3 . . 6.000 3.217 3.217 3.217 . 0 0 "[ ]" 1
124 1 15 PRO HD3 1 16 SER H . . 6.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
125 1 15 PRO HD3 1 37 VAL MG1 . . 6.500 4.686 4.686 4.686 . 0 0 "[ ]" 1
126 1 15 PRO HG2 1 16 SER H . . 6.000 2.226 2.226 2.226 . 0 0 "[ ]" 1
127 1 15 PRO HG2 1 37 VAL MG1 . . 6.800 6.563 6.563 6.563 . 0 0 "[ ]" 1
128 1 15 PRO HG2 1 59 VAL MG1 . . 6.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
129 1 15 PRO HG2 1 59 VAL MG2 . . 5.900 6.224 6.224 6.224 0.324 1 0 "[ ]" 1
130 1 15 PRO HG2 1 60 HIS HA . . 6.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
131 1 15 PRO HG3 1 16 SER H . . 6.000 3.859 3.859 3.859 . 0 0 "[ ]" 1
132 1 15 PRO HG3 1 37 VAL MG1 . . 6.600 5.417 5.417 5.417 . 0 0 "[ ]" 1
133 1 15 PRO HG3 1 37 VAL MG2 . . 6.600 3.553 3.553 3.553 . 0 0 "[ ]" 1
134 1 15 PRO HG3 1 59 VAL MG2 . . 5.600 4.778 4.778 4.778 . 0 0 "[ ]" 1
135 1 16 SER H 1 16 SER HB3 . . 4.100 3.376 3.376 3.376 . 0 0 "[ ]" 1
136 1 16 SER H 1 17 GLU H . . 3.700 2.941 2.941 2.941 . 0 0 "[ ]" 1
137 1 16 SER H 1 18 ILE H . . 6.000 4.508 4.508 4.508 . 0 0 "[ ]" 1
138 1 16 SER H 1 65 GLY H . . 5.800 4.367 4.367 4.367 . 0 0 "[ ]" 1
139 1 16 SER H 1 65 GLY QA . . 5.900 3.995 3.995 3.995 . 0 0 "[ ]" 1
140 1 16 SER HA 1 16 SER HB2 . . 3.000 3.028 3.028 3.028 0.028 1 0 "[ ]" 1
141 1 16 SER HA 1 17 GLU H . . 4.400 3.536 3.536 3.536 . 0 0 "[ ]" 1
142 1 16 SER HA 1 18 ILE H . . 4.900 4.614 4.614 4.614 . 0 0 "[ ]" 1
143 1 16 SER HA 1 19 VAL H . . 5.700 4.385 4.385 4.385 . 0 0 "[ ]" 1
144 1 16 SER HA 1 19 VAL HB . . 4.900 2.732 2.732 2.732 . 0 0 "[ ]" 1
145 1 16 SER HA 1 19 VAL MG1 . . 5.900 3.966 3.966 3.966 . 0 0 "[ ]" 1
146 1 16 SER HA 1 19 VAL MG2 . . 7.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
147 1 16 SER HA 1 20 ASN HD21 . . 6.000 2.968 2.968 2.968 . 0 0 "[ ]" 1
148 1 16 SER HA 1 20 ASN HD22 . . 6.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
149 1 16 SER HA 1 63 LEU MD1 . . 6.700 5.181 5.181 5.181 . 0 0 "[ ]" 1
150 1 16 SER HA 1 65 GLY H . . 5.600 3.766 3.766 3.766 . 0 0 "[ ]" 1
151 1 16 SER HA 1 65 GLY QA . . 3.800 2.118 2.118 2.118 . 0 0 "[ ]" 1
152 1 16 SER HB2 1 17 GLU H . . 4.200 2.672 2.672 2.672 . 0 0 "[ ]" 1
153 1 16 SER HB2 1 18 ILE H . . 5.000 5.083 5.083 5.083 0.083 1 0 "[ ]" 1
154 1 16 SER HB2 1 19 VAL MG1 . . 7.000 6.249 6.249 6.249 . 0 0 "[ ]" 1
155 1 16 SER HB2 1 20 ASN HD21 . . 6.000 4.049 4.049 4.049 . 0 0 "[ ]" 1
156 1 16 SER HB2 1 65 GLY QA . . 6.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
157 1 16 SER HB3 1 17 GLU H . . 4.900 3.987 3.987 3.987 . 0 0 "[ ]" 1
158 1 16 SER HB3 1 20 ASN HD21 . . 6.000 3.244 3.244 3.244 . 0 0 "[ ]" 1
159 1 16 SER HB3 1 61 ASP HB2 . . 6.000 4.941 4.941 4.941 . 0 0 "[ ]" 1
160 1 16 SER HB3 1 63 LEU MD1 . . 6.500 3.310 3.310 3.310 . 0 0 "[ ]" 1
161 1 16 SER HB3 1 65 GLY QA . . 6.000 3.106 3.106 3.106 . 0 0 "[ ]" 1
162 1 17 GLU H 1 17 GLU HB3 . . 4.000 2.723 2.723 2.723 . 0 0 "[ ]" 1
163 1 17 GLU H 1 17 GLU QG . . 4.300 4.009 4.009 4.009 . 0 0 "[ ]" 1
164 1 17 GLU H 1 18 ILE H . . 3.100 2.573 2.573 2.573 . 0 0 "[ ]" 1
165 1 17 GLU H 1 18 ILE HG12 . . 6.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
166 1 17 GLU HA 1 18 ILE H . . 5.800 3.561 3.561 3.561 . 0 0 "[ ]" 1
167 1 17 GLU HA 1 19 VAL H . . 6.000 3.761 3.761 3.761 . 0 0 "[ ]" 1
168 1 17 GLU HA 1 20 ASN H . . 5.400 3.830 3.830 3.830 . 0 0 "[ ]" 1
169 1 17 GLU HB2 1 18 ILE H . . 5.900 3.455 3.455 3.455 . 0 0 "[ ]" 1
170 1 17 GLU HB2 1 18 ILE MD . . 7.000 5.823 5.823 5.823 . 0 0 "[ ]" 1
171 1 17 GLU HB3 1 17 GLU QG . . 2.800 2.164 2.164 2.164 . 0 0 "[ ]" 1
172 1 17 GLU HB3 1 18 ILE H . . 5.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
173 1 17 GLU QG 1 18 ILE H . . 6.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
174 1 17 GLU QG 1 22 LYS HA . . 6.000 6.259 6.259 6.259 0.259 1 0 "[ ]" 1
175 1 18 ILE H 1 18 ILE HB . . 3.900 3.651 3.651 3.651 . 0 0 "[ ]" 1
176 1 18 ILE H 1 18 ILE MD . . 5.300 3.670 3.670 3.670 . 0 0 "[ ]" 1
177 1 18 ILE H 1 18 ILE HG12 . . 4.200 1.985 1.985 1.985 . 0 0 "[ ]" 1
178 1 18 ILE H 1 18 ILE HG13 . . 4.000 2.815 2.815 2.815 . 0 0 "[ ]" 1
179 1 18 ILE H 1 18 ILE MG . . 4.800 2.568 2.568 2.568 . 0 0 "[ ]" 1
180 1 18 ILE H 1 19 VAL H . . 3.700 3.202 3.202 3.202 . 0 0 "[ ]" 1
181 1 18 ILE H 1 19 VAL MG1 . . 7.000 5.961 5.961 5.961 . 0 0 "[ ]" 1
182 1 18 ILE H 1 20 ASN H . . 6.000 4.690 4.690 4.690 . 0 0 "[ ]" 1
183 1 18 ILE HA 1 18 ILE HG12 . . 4.200 3.773 3.773 3.773 . 0 0 "[ ]" 1
184 1 18 ILE HA 1 18 ILE HG13 . . 3.600 3.741 3.741 3.741 0.141 1 0 "[ ]" 1
185 1 18 ILE HA 1 19 VAL H . . 4.900 2.691 2.691 2.691 . 0 0 "[ ]" 1
186 1 18 ILE HA 1 20 ASN H . . 6.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
187 1 18 ILE HA 1 22 LYS QG . . 7.000 4.057 4.057 4.057 . 0 0 "[ ]" 1
188 1 18 ILE HA 1 23 THR HB . . 6.000 3.006 3.006 3.006 . 0 0 "[ ]" 1
189 1 18 ILE HA 1 29 PRO HD2 . . 6.000 5.467 5.467 5.467 . 0 0 "[ ]" 1
190 1 18 ILE HB 1 18 ILE HG12 . . 2.900 3.042 3.042 3.042 0.142 1 0 "[ ]" 1
191 1 18 ILE HB 1 19 VAL H . . 4.600 4.459 4.459 4.459 . 0 0 "[ ]" 1
192 1 18 ILE HB 1 23 THR HB . . 6.000 2.313 2.313 2.313 . 0 0 "[ ]" 1
193 1 18 ILE HB 1 67 ILE QG . . 7.000 3.369 3.369 3.369 . 0 0 "[ ]" 1
194 1 18 ILE MD 1 19 VAL H . . 7.000 5.464 5.464 5.464 . 0 0 "[ ]" 1
195 1 18 ILE MD 1 35 ILE MD . . 5.000 2.192 2.192 2.192 . 0 0 "[ ]" 1
196 1 18 ILE MD 1 37 VAL HB . . 6.200 2.324 2.324 2.324 . 0 0 "[ ]" 1
197 1 18 ILE MD 1 37 VAL MG2 . . 5.400 2.205 2.205 2.205 . 0 0 "[ ]" 1
198 1 18 ILE HG12 1 19 VAL H . . 6.000 4.736 4.736 4.736 . 0 0 "[ ]" 1
199 1 18 ILE HG12 1 37 VAL MG1 . . 6.000 5.590 5.590 5.590 . 0 0 "[ ]" 1
200 1 18 ILE HG12 1 37 VAL MG2 . . 6.800 3.349 3.349 3.349 . 0 0 "[ ]" 1
201 1 18 ILE HG13 1 18 ILE MG . . 3.400 3.220 3.220 3.220 . 0 0 "[ ]" 1
202 1 18 ILE HG13 1 19 VAL H . . 6.000 4.380 4.380 4.380 . 0 0 "[ ]" 1
203 1 18 ILE MG 1 19 VAL H . . 6.900 4.264 4.264 4.264 . 0 0 "[ ]" 1
204 1 18 ILE MG 1 22 LYS HB3 . . 7.000 3.097 3.097 3.097 . 0 0 "[ ]" 1
205 1 18 ILE MG 1 22 LYS HD3 . . 7.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
206 1 18 ILE MG 1 29 PRO HD2 . . 7.000 4.934 4.934 4.934 . 0 0 "[ ]" 1
207 1 18 ILE MG 1 29 PRO HD3 . . 6.800 4.558 4.558 4.558 . 0 0 "[ ]" 1
208 1 19 VAL H 1 19 VAL HB . . 3.800 2.872 2.872 2.872 . 0 0 "[ ]" 1
209 1 19 VAL H 1 19 VAL MG1 . . 4.500 3.892 3.892 3.892 . 0 0 "[ ]" 1
210 1 19 VAL H 1 20 ASN H . . 3.400 2.012 2.012 2.012 . 0 0 "[ ]" 1
211 1 19 VAL H 1 20 ASN HD22 . . 5.100 5.363 5.363 5.363 0.263 1 0 "[ ]" 1
212 1 19 VAL H 1 21 GLY H . . 6.000 4.604 4.604 4.604 . 0 0 "[ ]" 1
213 1 19 VAL HA 1 19 VAL MG1 . . 3.600 2.520 2.520 2.520 . 0 0 "[ ]" 1
214 1 19 VAL HA 1 20 ASN H . . 5.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
215 1 19 VAL HA 1 67 ILE MD . . 7.000 4.237 4.237 4.237 . 0 0 "[ ]" 1
216 1 19 VAL HB 1 20 ASN H . . 4.700 2.465 2.465 2.465 . 0 0 "[ ]" 1
217 1 19 VAL HB 1 20 ASN HD22 . . 5.500 3.646 3.646 3.646 . 0 0 "[ ]" 1
218 1 19 VAL HB 1 67 ILE HB . . 6.000 5.425 5.425 5.425 . 0 0 "[ ]" 1
219 1 19 VAL HB 1 67 ILE MD . . 6.400 5.401 5.401 5.401 . 0 0 "[ ]" 1
220 1 19 VAL MG1 1 20 ASN H . . 5.300 3.091 3.091 3.091 . 0 0 "[ ]" 1
221 1 19 VAL MG1 1 20 ASN HD21 . . 7.000 3.446 3.446 3.446 . 0 0 "[ ]" 1
222 1 19 VAL MG1 1 20 ASN HD22 . . 6.300 3.387 3.387 3.387 . 0 0 "[ ]" 1
223 1 19 VAL MG1 1 22 LYS H . . 7.000 5.516 5.516 5.516 . 0 0 "[ ]" 1
224 1 19 VAL MG1 1 66 GLU H . . 7.000 4.261 4.261 4.261 . 0 0 "[ ]" 1
225 1 19 VAL MG2 1 20 ASN H . . 6.100 3.887 3.887 3.887 . 0 0 "[ ]" 1
226 1 19 VAL MG2 1 20 ASN HD21 . . 7.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
227 1 19 VAL MG2 1 20 ASN HD22 . . 6.500 4.843 4.843 4.843 . 0 0 "[ ]" 1
228 1 19 VAL MG2 1 66 GLU H . . 7.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
229 1 19 VAL MG2 1 67 ILE MD . . 5.900 2.847 2.847 2.847 . 0 0 "[ ]" 1
230 1 20 ASN H 1 20 ASN HB2 . . 4.300 2.393 2.393 2.393 . 0 0 "[ ]" 1
231 1 20 ASN H 1 20 ASN HB3 . . 4.200 3.601 3.601 3.601 . 0 0 "[ ]" 1
232 1 20 ASN H 1 20 ASN HD21 . . 4.400 2.141 2.141 2.141 . 0 0 "[ ]" 1
233 1 20 ASN H 1 20 ASN HD22 . . 6.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
234 1 20 ASN H 1 21 GLY H . . 4.200 3.952 3.952 3.952 . 0 0 "[ ]" 1
235 1 20 ASN H 1 22 LYS H . . 6.000 5.088 5.088 5.088 . 0 0 "[ ]" 1
236 1 20 ASN H 1 22 LYS HB2 . . 6.000 4.444 4.444 4.444 . 0 0 "[ ]" 1
237 1 20 ASN H 1 24 ASP QB . . 7.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
238 1 20 ASN HA 1 21 GLY H . . 5.400 2.353 2.353 2.353 . 0 0 "[ ]" 1
239 1 20 ASN HB2 1 20 ASN HD22 . . 4.300 3.619 3.619 3.619 . 0 0 "[ ]" 1
240 1 20 ASN HB2 1 21 GLY H . . 4.400 4.540 4.540 4.540 0.140 1 0 "[ ]" 1
241 1 20 ASN HB3 1 20 ASN HD21 . . 3.500 3.578 3.578 3.578 0.078 1 0 "[ ]" 1
242 1 20 ASN HB3 1 21 GLY H . . 4.500 4.203 4.203 4.203 . 0 0 "[ ]" 1
243 1 20 ASN HD21 1 21 GLY H . . 6.000 5.598 5.598 5.598 . 0 0 "[ ]" 1
244 1 21 GLY H 1 22 LYS H . . 5.100 2.687 2.687 2.687 . 0 0 "[ ]" 1
245 1 21 GLY H 1 25 THR H . . 6.000 3.969 3.969 3.969 . 0 0 "[ ]" 1
246 1 21 GLY HA2 1 22 LYS H . . 3.600 2.595 2.595 2.595 . 0 0 "[ ]" 1
247 1 21 GLY HA2 1 25 THR H . . 6.000 4.031 4.031 4.031 . 0 0 "[ ]" 1
248 1 21 GLY HA2 1 25 THR HB . . 6.000 2.808 2.808 2.808 . 0 0 "[ ]" 1
249 1 21 GLY HA2 1 28 LYS QG . . 6.000 6.028 6.028 6.028 0.028 1 0 "[ ]" 1
250 1 21 GLY HA3 1 22 LYS H . . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
251 1 21 GLY HA3 1 27 VAL MG2 . . 7.000 3.151 3.151 3.151 . 0 0 "[ ]" 1
252 1 21 GLY HA3 1 28 LYS QG . . 6.000 5.673 5.673 5.673 . 0 0 "[ ]" 1
253 1 22 LYS H 1 22 LYS HB2 . . 4.000 2.936 2.936 2.936 . 0 0 "[ ]" 1
254 1 22 LYS H 1 22 LYS HB3 . . 3.800 3.927 3.927 3.927 0.127 1 0 "[ ]" 1
255 1 22 LYS H 1 22 LYS HD2 . . 5.200 5.330 5.330 5.330 0.130 1 0 "[ ]" 1
256 1 22 LYS H 1 22 LYS HD3 . . 6.000 5.677 5.677 5.677 . 0 0 "[ ]" 1
257 1 22 LYS H 1 22 LYS HE2 . . 6.000 6.118 6.118 6.118 0.118 1 0 "[ ]" 1
258 1 22 LYS H 1 22 LYS HE3 . . 6.000 5.971 5.971 5.971 . 0 0 "[ ]" 1
259 1 22 LYS H 1 23 THR H . . 4.100 3.418 3.418 3.418 . 0 0 "[ ]" 1
260 1 22 LYS H 1 25 THR H . . 6.000 2.884 2.884 2.884 . 0 0 "[ ]" 1
261 1 22 LYS H 1 26 GLY H . . 6.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
262 1 22 LYS H 1 27 VAL H . . 3.900 3.996 3.996 3.996 0.096 1 0 "[ ]" 1
263 1 22 LYS H 1 27 VAL MG1 . . 7.000 4.686 4.686 4.686 . 0 0 "[ ]" 1
264 1 22 LYS H 1 27 VAL MG2 . . 7.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
265 1 22 LYS HA 1 22 LYS HD2 . . 4.500 4.512 4.512 4.512 0.012 1 0 "[ ]" 1
266 1 22 LYS HA 1 22 LYS HD3 . . 5.200 3.929 3.929 3.929 . 0 0 "[ ]" 1
267 1 22 LYS HA 1 22 LYS HE3 . . 6.000 4.973 4.973 4.973 . 0 0 "[ ]" 1
268 1 22 LYS HA 1 23 THR H . . 4.200 3.415 3.415 3.415 . 0 0 "[ ]" 1
269 1 22 LYS HA 1 24 ASP H . . 6.000 5.597 5.597 5.597 . 0 0 "[ ]" 1
270 1 22 LYS HA 1 25 THR H . . 6.000 5.104 5.104 5.104 . 0 0 "[ ]" 1
271 1 22 LYS HB2 1 22 LYS HE2 . . 4.900 4.671 4.671 4.671 . 0 0 "[ ]" 1
272 1 22 LYS HB2 1 22 LYS HE3 . . 4.500 4.455 4.455 4.455 . 0 0 "[ ]" 1
273 1 22 LYS HB2 1 23 THR H . . 5.400 2.111 2.111 2.111 . 0 0 "[ ]" 1
274 1 22 LYS HB2 1 24 ASP H . . 5.500 4.295 4.295 4.295 . 0 0 "[ ]" 1
275 1 22 LYS HB2 1 25 THR H . . 6.000 5.174 5.174 5.174 . 0 0 "[ ]" 1
276 1 22 LYS HB2 1 26 GLY H . . 6.000 6.091 6.091 6.091 0.091 1 0 "[ ]" 1
277 1 22 LYS HB2 1 27 VAL H . . 6.000 5.724 5.724 5.724 . 0 0 "[ ]" 1
278 1 22 LYS HB2 1 29 PRO HG3 . . 6.000 4.244 4.244 4.244 . 0 0 "[ ]" 1
279 1 22 LYS HB3 1 23 THR H . . 5.200 2.215 2.215 2.215 . 0 0 "[ ]" 1
280 1 22 LYS HB3 1 23 THR HA . . 6.000 4.292 4.292 4.292 . 0 0 "[ ]" 1
281 1 22 LYS HB3 1 23 THR HB . . 6.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
282 1 22 LYS HB3 1 25 THR H . . 6.000 6.005 6.005 6.005 0.005 1 0 "[ ]" 1
283 1 22 LYS HB3 1 27 VAL H . . 6.000 5.376 5.376 5.376 . 0 0 "[ ]" 1
284 1 22 LYS HD2 1 23 THR H . . 6.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
285 1 22 LYS HD3 1 28 LYS HB2 . . 6.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
286 1 22 LYS HE2 1 28 LYS HB2 . . 6.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
287 1 22 LYS QG 1 23 THR H . . 7.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
288 1 22 LYS QG 1 24 ASP H . . 7.000 5.875 5.875 5.875 . 0 0 "[ ]" 1
289 1 22 LYS QG 1 25 THR H . . 7.000 5.827 5.827 5.827 . 0 0 "[ ]" 1
290 1 22 LYS QG 1 29 PRO HG3 . . 7.000 4.550 4.550 4.550 . 0 0 "[ ]" 1
291 1 23 THR H 1 23 THR HB . . 3.800 2.323 2.323 2.323 . 0 0 "[ ]" 1
292 1 23 THR H 1 23 THR MG . . 4.800 3.684 3.684 3.684 . 0 0 "[ ]" 1
293 1 23 THR H 1 24 ASP H . . 4.600 3.007 3.007 3.007 . 0 0 "[ ]" 1
294 1 23 THR H 1 25 THR H . . 6.000 4.515 4.515 4.515 . 0 0 "[ ]" 1
295 1 23 THR HA 1 24 ASP H . . 3.800 3.618 3.618 3.618 . 0 0 "[ ]" 1
296 1 23 THR HA 1 24 ASP HA . . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
297 1 23 THR HA 1 25 THR H . . 5.100 4.735 4.735 4.735 . 0 0 "[ ]" 1
298 1 23 THR HA 1 26 GLY HA2 . . 4.600 3.232 3.232 3.232 . 0 0 "[ ]" 1
299 1 23 THR HA 1 26 GLY HA3 . . 4.800 4.813 4.813 4.813 0.013 1 0 "[ ]" 1
300 1 23 THR HA 1 27 VAL H . . 6.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
301 1 23 THR HA 1 31 ALA HA . . 6.000 6.028 6.028 6.028 0.028 1 0 "[ ]" 1
302 1 23 THR HB 1 24 ASP H . . 5.700 2.273 2.273 2.273 . 0 0 "[ ]" 1
303 1 23 THR HB 1 25 THR H . . 6.000 5.057 5.057 5.057 . 0 0 "[ ]" 1
304 1 23 THR MG 1 24 ASP H . . 6.100 2.834 2.834 2.834 . 0 0 "[ ]" 1
305 1 23 THR MG 1 24 ASP HA . . 6.200 3.298 3.298 3.298 . 0 0 "[ ]" 1
306 1 23 THR MG 1 24 ASP QB . . 8.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
307 1 23 THR MG 1 25 THR H . . 7.000 4.971 4.971 4.971 . 0 0 "[ ]" 1
308 1 23 THR MG 1 67 ILE MD . . 7.000 2.807 2.807 2.807 . 0 0 "[ ]" 1
309 1 23 THR MG 1 67 ILE QG . . 6.800 3.756 3.756 3.756 . 0 0 "[ ]" 1
310 1 23 THR MG 1 91 LEU MD1 . . 6.000 1.874 1.874 1.874 . 0 0 "[ ]" 1
311 1 23 THR MG 1 95 GLY H . . 7.000 3.058 3.058 3.058 . 0 0 "[ ]" 1
312 1 23 THR MG 1 95 GLY HA2 . . 7.000 2.159 2.159 2.159 . 0 0 "[ ]" 1
313 1 24 ASP H 1 25 THR H . . 4.000 3.066 3.066 3.066 . 0 0 "[ ]" 1
314 1 24 ASP H 1 26 GLY H . . 6.000 4.053 4.053 4.053 . 0 0 "[ ]" 1
315 1 24 ASP HA 1 25 THR H . . 4.600 3.533 3.533 3.533 . 0 0 "[ ]" 1
316 1 24 ASP HA 1 26 GLY H . . 6.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
317 1 24 ASP HA 1 26 GLY HA2 . . 6.000 5.977 5.977 5.977 . 0 0 "[ ]" 1
318 1 24 ASP HA 1 67 ILE QG . . 7.000 5.676 5.676 5.676 . 0 0 "[ ]" 1
319 1 24 ASP HA 1 95 GLY HA2 . . 5.600 2.922 2.922 2.922 . 0 0 "[ ]" 1
320 1 24 ASP QB 1 25 THR H . . 5.700 2.260 2.260 2.260 . 0 0 "[ ]" 1
321 1 24 ASP QB 1 25 THR MG . . 8.000 4.588 4.588 4.588 . 0 0 "[ ]" 1
322 1 25 THR H 1 25 THR MG . . 4.800 3.529 3.529 3.529 . 0 0 "[ ]" 1
323 1 25 THR H 1 26 GLY H . . 3.400 2.728 2.728 2.728 . 0 0 "[ ]" 1
324 1 25 THR H 1 27 VAL H . . 6.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
325 1 25 THR HA 1 25 THR MG . . 3.500 2.237 2.237 2.237 . 0 0 "[ ]" 1
326 1 25 THR HA 1 26 GLY H . . 3.600 3.358 3.358 3.358 . 0 0 "[ ]" 1
327 1 25 THR HA 1 26 GLY HA2 . . 6.000 5.253 5.253 5.253 . 0 0 "[ ]" 1
328 1 25 THR HA 1 26 GLY HA3 . . 5.800 4.723 4.723 4.723 . 0 0 "[ ]" 1
329 1 25 THR HA 1 27 VAL H . . 6.000 4.846 4.846 4.846 . 0 0 "[ ]" 1
330 1 25 THR HA 1 27 VAL MG1 . . 7.000 4.011 4.011 4.011 . 0 0 "[ ]" 1
331 1 25 THR HA 1 27 VAL MG2 . . 7.000 4.870 4.870 4.870 . 0 0 "[ ]" 1
332 1 25 THR HB 1 26 GLY H . . 4.100 3.601 3.601 3.601 . 0 0 "[ ]" 1
333 1 25 THR HB 1 27 VAL H . . 5.800 3.024 3.024 3.024 . 0 0 "[ ]" 1
334 1 25 THR HB 1 27 VAL HA . . 6.000 4.814 4.814 4.814 . 0 0 "[ ]" 1
335 1 25 THR HB 1 27 VAL HB . . 6.000 4.650 4.650 4.650 . 0 0 "[ ]" 1
336 1 25 THR HB 1 27 VAL MG1 . . 6.600 2.246 2.246 2.246 . 0 0 "[ ]" 1
337 1 25 THR HB 1 27 VAL MG2 . . 6.600 2.325 2.325 2.325 . 0 0 "[ ]" 1
338 1 25 THR MG 1 26 GLY H . . 5.900 4.425 4.425 4.425 . 0 0 "[ ]" 1
339 1 25 THR MG 1 26 GLY HA2 . . 7.000 5.699 5.699 5.699 . 0 0 "[ ]" 1
340 1 25 THR MG 1 27 VAL H . . 6.700 4.365 4.365 4.365 . 0 0 "[ ]" 1
341 1 25 THR MG 1 27 VAL HB . . 5.900 4.910 4.910 4.910 . 0 0 "[ ]" 1
342 1 25 THR MG 1 27 VAL MG1 . . 5.700 2.404 2.404 2.404 . 0 0 "[ ]" 1
343 1 25 THR MG 1 27 VAL MG2 . . 5.700 3.407 3.407 3.407 . 0 0 "[ ]" 1
344 1 26 GLY H 1 27 VAL H . . 3.800 2.977 2.977 2.977 . 0 0 "[ ]" 1
345 1 26 GLY H 1 27 VAL HA . . 5.900 5.441 5.441 5.441 . 0 0 "[ ]" 1
346 1 26 GLY H 1 28 LYS H . . 6.000 4.966 4.966 4.966 . 0 0 "[ ]" 1
347 1 26 GLY HA2 1 27 VAL H . . 5.000 2.854 2.854 2.854 . 0 0 "[ ]" 1
348 1 26 GLY HA2 1 29 PRO HD2 . . 6.000 4.382 4.382 4.382 . 0 0 "[ ]" 1
349 1 26 GLY HA2 1 29 PRO HG2 . . 6.000 4.232 4.232 4.232 . 0 0 "[ ]" 1
350 1 26 GLY HA3 1 27 VAL H . . 4.400 3.616 3.616 3.616 . 0 0 "[ ]" 1
351 1 27 VAL H 1 27 VAL HB . . 4.300 3.771 3.771 3.771 . 0 0 "[ ]" 1
352 1 27 VAL H 1 27 VAL MG1 . . 4.300 2.777 2.777 2.777 . 0 0 "[ ]" 1
353 1 27 VAL H 1 27 VAL MG2 . . 4.100 2.034 2.034 2.034 . 0 0 "[ ]" 1
354 1 27 VAL H 1 28 LYS H . . 6.000 2.384 2.384 2.384 . 0 0 "[ ]" 1
355 1 27 VAL H 1 28 LYS HB2 . . 6.000 4.616 4.616 4.616 . 0 0 "[ ]" 1
356 1 27 VAL HA 1 28 LYS H . . 3.600 3.559 3.559 3.559 . 0 0 "[ ]" 1
357 1 27 VAL HA 1 28 LYS QD . . 7.000 5.909 5.909 5.909 . 0 0 "[ ]" 1
358 1 27 VAL HA 1 28 LYS QG . . 6.000 4.750 4.750 4.750 . 0 0 "[ ]" 1
359 1 27 VAL HB 1 28 LYS H . . 6.000 3.734 3.734 3.734 . 0 0 "[ ]" 1
360 1 27 VAL MG1 1 28 LYS H . . 4.200 4.125 4.125 4.125 . 0 0 "[ ]" 1
361 1 27 VAL MG2 1 28 LYS H . . 6.000 2.264 2.264 2.264 . 0 0 "[ ]" 1
362 1 27 VAL MG2 1 28 LYS HA . . 7.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
363 1 27 VAL MG2 1 28 LYS QG . . 5.000 2.576 2.576 2.576 . 0 0 "[ ]" 1
364 1 28 LYS H 1 28 LYS HB3 . . 4.100 3.652 3.652 3.652 . 0 0 "[ ]" 1
365 1 28 LYS H 1 28 LYS HE2 . . 6.000 5.639 5.639 5.639 . 0 0 "[ ]" 1
366 1 28 LYS H 1 28 LYS HE3 . . 6.000 6.049 6.049 6.049 0.049 1 0 "[ ]" 1
367 1 28 LYS H 1 28 LYS QG . . 4.500 3.085 3.085 3.085 . 0 0 "[ ]" 1
368 1 28 LYS H 1 29 PRO HD2 . . 6.000 2.209 2.209 2.209 . 0 0 "[ ]" 1
369 1 28 LYS H 1 29 PRO HD3 . . 6.000 3.504 3.504 3.504 . 0 0 "[ ]" 1
370 1 28 LYS HA 1 28 LYS HE3 . . 4.800 4.733 4.733 4.733 . 0 0 "[ ]" 1
371 1 28 LYS HA 1 29 PRO HD2 . . 4.800 4.024 4.024 4.024 . 0 0 "[ ]" 1
372 1 28 LYS HA 1 29 PRO HD3 . . 5.400 4.116 4.116 4.116 . 0 0 "[ ]" 1
373 1 28 LYS HB2 1 28 LYS HE2 . . 5.100 4.873 4.873 4.873 . 0 0 "[ ]" 1
374 1 28 LYS HB2 1 29 PRO HD2 . . 6.000 2.373 2.373 2.373 . 0 0 "[ ]" 1
375 1 28 LYS HB2 1 29 PRO HD3 . . 6.000 2.231 2.231 2.231 . 0 0 "[ ]" 1
376 1 28 LYS HB3 1 28 LYS HE2 . . 4.800 4.622 4.622 4.622 . 0 0 "[ ]" 1
377 1 28 LYS HB3 1 29 PRO HB3 . . 6.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
378 1 28 LYS HB3 1 29 PRO HD2 . . 6.000 3.408 3.408 3.408 . 0 0 "[ ]" 1
379 1 28 LYS HB3 1 29 PRO HD3 . . 6.000 2.451 2.451 2.451 . 0 0 "[ ]" 1
380 1 28 LYS HB3 1 29 PRO HG2 . . 6.000 5.232 5.232 5.232 . 0 0 "[ ]" 1
381 1 29 PRO HA 1 29 PRO HG2 . . 4.000 3.825 3.825 3.825 . 0 0 "[ ]" 1
382 1 29 PRO HA 1 30 GLU H . . 3.800 2.245 2.245 2.245 . 0 0 "[ ]" 1
383 1 29 PRO HA 1 30 GLU QG . . 7.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
384 1 29 PRO HA 1 33 GLN HE21 . . 6.000 2.990 2.990 2.990 . 0 0 "[ ]" 1
385 1 29 PRO HA 1 33 GLN HE22 . . 6.000 2.019 2.019 2.019 . 0 0 "[ ]" 1
386 1 29 PRO HA 1 35 ILE MG . . 7.000 5.558 5.558 5.558 . 0 0 "[ ]" 1
387 1 29 PRO HB2 1 30 GLU H . . 4.500 3.933 3.933 3.933 . 0 0 "[ ]" 1
388 1 29 PRO HB2 1 30 GLU QG . . 7.000 5.625 5.625 5.625 . 0 0 "[ ]" 1
389 1 29 PRO HB2 1 35 ILE MD . . 7.000 4.314 4.314 4.314 . 0 0 "[ ]" 1
390 1 29 PRO HB3 1 30 GLU H . . 5.400 4.340 4.340 4.340 . 0 0 "[ ]" 1
391 1 29 PRO HB3 1 35 ILE MD . . 6.600 4.513 4.513 4.513 . 0 0 "[ ]" 1
392 1 29 PRO HG2 1 30 GLU H . . 6.000 4.987 4.987 4.987 . 0 0 "[ ]" 1
393 1 29 PRO HG2 1 35 ILE MD . . 6.700 5.088 5.088 5.088 . 0 0 "[ ]" 1
394 1 29 PRO HG3 1 30 GLU H . . 5.900 5.873 5.873 5.873 . 0 0 "[ ]" 1
395 1 30 GLU H 1 30 GLU HB3 . . 3.900 3.532 3.532 3.532 . 0 0 "[ ]" 1
396 1 30 GLU H 1 31 ALA H . . 4.900 4.626 4.626 4.626 . 0 0 "[ ]" 1
397 1 30 GLU H 1 31 ALA MB . . 7.000 5.882 5.882 5.882 . 0 0 "[ ]" 1
398 1 30 GLU H 1 33 GLN HB2 . . 5.600 5.070 5.070 5.070 . 0 0 "[ ]" 1
399 1 30 GLU H 1 33 GLN HB3 . . 6.000 6.007 6.007 6.007 0.007 1 0 "[ ]" 1
400 1 30 GLU H 1 33 GLN HE21 . . 5.700 2.384 2.384 2.384 . 0 0 "[ ]" 1
401 1 30 GLU H 1 33 GLN HE22 . . 6.000 2.178 2.178 2.178 . 0 0 "[ ]" 1
402 1 30 GLU H 1 33 GLN HG3 . . 6.000 4.366 4.366 4.366 . 0 0 "[ ]" 1
403 1 30 GLU HA 1 31 ALA H . . 3.800 2.348 2.348 2.348 . 0 0 "[ ]" 1
404 1 30 GLU HA 1 31 ALA HA . . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
405 1 30 GLU HA 1 31 ALA MB . . 5.900 4.122 4.122 4.122 . 0 0 "[ ]" 1
406 1 30 GLU HB2 1 31 ALA H . . 4.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
407 1 30 GLU HB2 1 31 ALA MB . . 6.600 5.048 5.048 5.048 . 0 0 "[ ]" 1
408 1 30 GLU HB2 1 33 GLN HE22 . . 6.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
409 1 30 GLU HB3 1 31 ALA H . . 4.300 2.842 2.842 2.842 . 0 0 "[ ]" 1
410 1 30 GLU HB3 1 33 GLN HE21 . . 6.000 4.326 4.326 4.326 . 0 0 "[ ]" 1
411 1 30 GLU HB3 1 33 GLN HE22 . . 6.000 5.144 5.144 5.144 . 0 0 "[ ]" 1
412 1 30 GLU HB3 1 33 GLN HG2 . . 6.000 6.269 6.269 6.269 0.269 1 0 "[ ]" 1
413 1 30 GLU HB3 1 33 GLN HG3 . . 6.000 4.824 4.824 4.824 . 0 0 "[ ]" 1
414 1 30 GLU QG 1 31 ALA H . . 7.000 4.175 4.175 4.175 . 0 0 "[ ]" 1
415 1 30 GLU QG 1 33 GLN HE21 . . 7.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
416 1 30 GLU QG 1 33 GLN HE22 . . 7.000 3.772 3.772 3.772 . 0 0 "[ ]" 1
417 1 31 ALA H 1 31 ALA MB . . 3.400 2.219 2.219 2.219 . 0 0 "[ ]" 1
418 1 31 ALA H 1 32 GLY H . . 5.100 4.718 4.718 4.718 . 0 0 "[ ]" 1
419 1 31 ALA H 1 91 LEU MD2 . . 7.000 6.655 6.655 6.655 . 0 0 "[ ]" 1
420 1 31 ALA HA 1 32 GLY H . . 3.100 2.509 2.509 2.509 . 0 0 "[ ]" 1
421 1 31 ALA HA 1 32 GLY HA2 . . 6.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
422 1 31 ALA HA 1 32 GLY HA3 . . 6.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
423 1 31 ALA HA 1 33 GLN H . . 6.000 3.372 3.372 3.372 . 0 0 "[ ]" 1
424 1 31 ALA HA 1 91 LEU HB2 . . 6.000 2.692 2.692 2.692 . 0 0 "[ ]" 1
425 1 31 ALA HA 1 91 LEU MD1 . . 7.000 3.335 3.335 3.335 . 0 0 "[ ]" 1
426 1 31 ALA HA 1 91 LEU MD2 . . 7.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
427 1 31 ALA HA 1 91 LEU HG . . 6.000 3.383 3.383 3.383 . 0 0 "[ ]" 1
428 1 31 ALA HA 1 97 LEU QD . . 7.000 5.679 5.679 5.679 . 0 0 "[ ]" 1
429 1 31 ALA MB 1 32 GLY H . . 4.000 2.550 2.550 2.550 . 0 0 "[ ]" 1
430 1 31 ALA MB 1 33 GLN H . . 5.700 4.406 4.406 4.406 . 0 0 "[ ]" 1
431 1 31 ALA MB 1 91 LEU HA . . 7.000 4.862 4.862 4.862 . 0 0 "[ ]" 1
432 1 31 ALA MB 1 91 LEU HB2 . . 7.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
433 1 31 ALA MB 1 92 GLY QA . . 6.100 3.983 3.983 3.983 . 0 0 "[ ]" 1
434 1 31 ALA MB 1 93 GLU H . . 7.000 5.158 5.158 5.158 . 0 0 "[ ]" 1
435 1 31 ALA MB 1 93 GLU HA . . 5.700 4.248 4.248 4.248 . 0 0 "[ ]" 1
436 1 31 ALA MB 1 93 GLU HB2 . . 7.000 6.204 6.204 6.204 . 0 0 "[ ]" 1
437 1 31 ALA MB 1 93 GLU QG . . 7.000 5.300 5.300 5.300 . 0 0 "[ ]" 1
438 1 31 ALA MB 1 94 ASP H . . 7.000 2.554 2.554 2.554 . 0 0 "[ ]" 1
439 1 31 ALA MB 1 95 GLY H . . 7.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
440 1 32 GLY H 1 33 GLN H . . 3.400 2.687 2.687 2.687 . 0 0 "[ ]" 1
441 1 32 GLY H 1 90 VAL MG1 . . 5.500 4.822 4.822 4.822 . 0 0 "[ ]" 1
442 1 32 GLY H 1 91 LEU HB2 . . 6.000 2.417 2.417 2.417 . 0 0 "[ ]" 1
443 1 32 GLY H 1 91 LEU HB3 . . 6.000 2.728 2.728 2.728 . 0 0 "[ ]" 1
444 1 32 GLY H 1 97 LEU QD . . 7.000 6.069 6.069 6.069 . 0 0 "[ ]" 1
445 1 32 GLY HA2 1 33 GLN H . . 4.500 3.333 3.333 3.333 . 0 0 "[ ]" 1
446 1 32 GLY HA2 1 90 VAL MG1 . . 5.600 4.137 4.137 4.137 . 0 0 "[ ]" 1
447 1 32 GLY HA3 1 33 GLN H . . 3.600 3.369 3.369 3.369 . 0 0 "[ ]" 1
448 1 32 GLY HA3 1 90 VAL MG1 . . 6.000 5.587 5.587 5.587 . 0 0 "[ ]" 1
449 1 33 GLN H 1 33 GLN HB2 . . 3.700 2.411 2.411 2.411 . 0 0 "[ ]" 1
450 1 33 GLN H 1 33 GLN HB3 . . 4.300 3.634 3.634 3.634 . 0 0 "[ ]" 1
451 1 33 GLN H 1 33 GLN HE21 . . 5.100 3.803 3.803 3.803 . 0 0 "[ ]" 1
452 1 33 GLN H 1 33 GLN HE22 . . 6.000 5.412 5.412 5.412 . 0 0 "[ ]" 1
453 1 33 GLN H 1 33 GLN HG2 . . 4.200 3.784 3.784 3.784 . 0 0 "[ ]" 1
454 1 33 GLN H 1 33 GLN HG3 . . 3.800 2.671 2.671 2.671 . 0 0 "[ ]" 1
455 1 33 GLN H 1 34 ARG H . . 4.800 4.627 4.627 4.627 . 0 0 "[ ]" 1
456 1 33 GLN H 1 90 VAL HB . . 6.000 6.027 6.027 6.027 0.027 1 0 "[ ]" 1
457 1 33 GLN H 1 90 VAL MG1 . . 7.000 5.586 5.586 5.586 . 0 0 "[ ]" 1
458 1 33 GLN H 1 91 LEU H . . 4.100 3.258 3.258 3.258 . 0 0 "[ ]" 1
459 1 33 GLN H 1 91 LEU HB2 . . 6.000 2.197 2.197 2.197 . 0 0 "[ ]" 1
460 1 33 GLN H 1 91 LEU HB3 . . 6.000 3.704 3.704 3.704 . 0 0 "[ ]" 1
461 1 33 GLN H 1 97 LEU QD . . 7.000 6.257 6.257 6.257 . 0 0 "[ ]" 1
462 1 33 GLN HA 1 33 GLN HG2 . . 4.100 2.452 2.452 2.452 . 0 0 "[ ]" 1
463 1 33 GLN HA 1 33 GLN HG3 . . 4.300 3.052 3.052 3.052 . 0 0 "[ ]" 1
464 1 33 GLN HA 1 34 ARG H . . 3.400 2.301 2.301 2.301 . 0 0 "[ ]" 1
465 1 33 GLN HA 1 35 ILE MG . . 6.100 5.109 5.109 5.109 . 0 0 "[ ]" 1
466 1 33 GLN HA 1 90 VAL MG1 . . 7.000 6.098 6.098 6.098 . 0 0 "[ ]" 1
467 1 33 GLN HB2 1 34 ARG H . . 4.700 4.014 4.014 4.014 . 0 0 "[ ]" 1
468 1 33 GLN HB2 1 35 ILE MG . . 6.300 3.603 3.603 3.603 . 0 0 "[ ]" 1
469 1 33 GLN HB3 1 34 ARG H . . 4.700 2.885 2.885 2.885 . 0 0 "[ ]" 1
470 1 33 GLN HB3 1 35 ILE MG . . 6.900 3.516 3.516 3.516 . 0 0 "[ ]" 1
471 1 33 GLN HE21 1 35 ILE MG . . 7.000 5.253 5.253 5.253 . 0 0 "[ ]" 1
472 1 33 GLN HE22 1 33 GLN HG2 . . 4.300 4.103 4.103 4.103 . 0 0 "[ ]" 1
473 1 33 GLN HE22 1 33 GLN HG3 . . 4.300 3.571 3.571 3.571 . 0 0 "[ ]" 1
474 1 33 GLN HE22 1 35 ILE MG . . 7.000 5.387 5.387 5.387 . 0 0 "[ ]" 1
475 1 33 GLN HG3 1 34 ARG H . . 6.000 5.041 5.041 5.041 . 0 0 "[ ]" 1
476 1 33 GLN HG3 1 35 ILE MG . . 7.000 5.687 5.687 5.687 . 0 0 "[ ]" 1
477 1 34 ARG H 1 34 ARG HB2 . . 3.900 2.472 2.472 2.472 . 0 0 "[ ]" 1
478 1 34 ARG H 1 34 ARG HB3 . . 3.900 3.623 3.623 3.623 . 0 0 "[ ]" 1
479 1 34 ARG H 1 34 ARG HG2 . . 4.400 3.765 3.765 3.765 . 0 0 "[ ]" 1
480 1 34 ARG H 1 34 ARG HG3 . . 5.600 3.180 3.180 3.180 . 0 0 "[ ]" 1
481 1 34 ARG H 1 35 ILE H . . 5.400 4.548 4.548 4.548 . 0 0 "[ ]" 1
482 1 34 ARG H 1 90 VAL MG1 . . 6.200 6.153 6.153 6.153 . 0 0 "[ ]" 1
483 1 34 ARG HA 1 34 ARG HG2 . . 4.200 2.437 2.437 2.437 . 0 0 "[ ]" 1
484 1 34 ARG HA 1 34 ARG HG3 . . 4.500 3.421 3.421 3.421 . 0 0 "[ ]" 1
485 1 34 ARG HA 1 35 ILE H . . 3.600 2.161 2.161 2.161 . 0 0 "[ ]" 1
486 1 34 ARG HA 1 90 VAL HA . . 3.400 2.155 2.155 2.155 . 0 0 "[ ]" 1
487 1 34 ARG HA 1 90 VAL MG1 . . 7.000 4.798 4.798 4.798 . 0 0 "[ ]" 1
488 1 34 ARG HA 1 90 VAL MG2 . . 7.000 3.200 3.200 3.200 . 0 0 "[ ]" 1
489 1 34 ARG HA 1 91 LEU H . . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
490 1 34 ARG HB2 1 35 ILE H . . 5.600 4.064 4.064 4.064 . 0 0 "[ ]" 1
491 1 34 ARG HB2 1 90 VAL HA . . 6.000 5.058 5.058 5.058 . 0 0 "[ ]" 1
492 1 34 ARG HB3 1 35 ILE H . . 5.100 2.850 2.850 2.850 . 0 0 "[ ]" 1
493 1 34 ARG HB3 1 90 VAL HA . . 6.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
494 1 34 ARG HB3 1 90 VAL HB . . 4.600 5.054 5.054 5.054 0.454 1 0 "[ ]" 1
495 1 34 ARG HB3 1 90 VAL MG2 . . 6.200 4.984 4.984 4.984 . 0 0 "[ ]" 1
496 1 34 ARG QD 1 88 GLN HE21 . . 7.000 5.598 5.598 5.598 . 0 0 "[ ]" 1
497 1 34 ARG QD 1 90 VAL MG2 . . 8.000 4.981 4.981 4.981 . 0 0 "[ ]" 1
498 1 34 ARG HG2 1 35 ILE H . . 6.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
499 1 34 ARG HG2 1 90 VAL HA . . 6.000 3.207 3.207 3.207 . 0 0 "[ ]" 1
500 1 34 ARG HG2 1 90 VAL HB . . 5.600 2.664 2.664 2.664 . 0 0 "[ ]" 1
501 1 34 ARG HG2 1 90 VAL MG2 . . 5.300 3.330 3.330 3.330 . 0 0 "[ ]" 1
502 1 34 ARG HG3 1 35 ILE H . . 6.000 5.157 5.157 5.157 . 0 0 "[ ]" 1
503 1 35 ILE H 1 35 ILE HB . . 4.300 4.005 4.005 4.005 . 0 0 "[ ]" 1
504 1 35 ILE H 1 35 ILE MD . . 5.200 4.336 4.336 4.336 . 0 0 "[ ]" 1
505 1 35 ILE H 1 35 ILE HG12 . . 4.600 2.792 2.792 2.792 . 0 0 "[ ]" 1
506 1 35 ILE H 1 35 ILE HG13 . . 4.200 3.375 3.375 3.375 . 0 0 "[ ]" 1
507 1 35 ILE H 1 35 ILE MG . . 4.300 3.269 3.269 3.269 . 0 0 "[ ]" 1
508 1 35 ILE H 1 36 ARG H . . 6.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
509 1 35 ILE H 1 89 GLY H . . 3.300 3.320 3.320 3.320 0.020 1 0 "[ ]" 1
510 1 35 ILE H 1 90 VAL HA . . 3.300 3.367 3.367 3.367 0.067 1 0 "[ ]" 1
511 1 35 ILE HA 1 36 ARG H . . 3.100 2.637 2.637 2.637 . 0 0 "[ ]" 1
512 1 35 ILE HB 1 36 ARG H . . 3.900 2.406 2.406 2.406 . 0 0 "[ ]" 1
513 1 35 ILE HB 1 91 LEU MD2 . . 7.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
514 1 35 ILE MD 1 36 ARG H . . 7.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
515 1 35 ILE MD 1 37 VAL HB . . 6.700 3.601 3.601 3.601 . 0 0 "[ ]" 1
516 1 35 ILE MD 1 37 VAL MG1 . . 7.100 4.565 4.565 4.565 . 0 0 "[ ]" 1
517 1 35 ILE MD 1 37 VAL MG2 . . 6.200 4.290 4.290 4.290 . 0 0 "[ ]" 1
518 1 35 ILE MD 1 91 LEU H . . 7.000 5.229 5.229 5.229 . 0 0 "[ ]" 1
519 1 35 ILE MD 1 91 LEU HB3 . . 7.000 5.680 5.680 5.680 . 0 0 "[ ]" 1
520 1 35 ILE MD 1 91 LEU MD1 . . 5.700 3.242 3.242 3.242 . 0 0 "[ ]" 1
521 1 35 ILE MD 1 91 LEU MD2 . . 5.600 2.106 2.106 2.106 . 0 0 "[ ]" 1
522 1 35 ILE MD 1 97 LEU QD . . 6.400 2.563 2.563 2.563 . 0 0 "[ ]" 1
523 1 35 ILE HG12 1 36 ARG H . . 6.000 4.510 4.510 4.510 . 0 0 "[ ]" 1
524 1 35 ILE HG12 1 91 LEU MD2 . . 6.800 2.068 2.068 2.068 . 0 0 "[ ]" 1
525 1 35 ILE HG13 1 35 ILE MG . . 3.400 3.266 3.266 3.266 . 0 0 "[ ]" 1
526 1 35 ILE HG13 1 37 VAL H . . 6.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
527 1 35 ILE MG 1 36 ARG H . . 5.500 3.888 3.888 3.888 . 0 0 "[ ]" 1
528 1 35 ILE MG 1 91 LEU H . . 7.000 4.704 4.704 4.704 . 0 0 "[ ]" 1
529 1 36 ARG H 1 36 ARG HB2 . . 3.900 2.936 2.936 2.936 . 0 0 "[ ]" 1
530 1 36 ARG H 1 36 ARG HB3 . . 3.700 3.839 3.839 3.839 0.139 1 0 "[ ]" 1
531 1 36 ARG H 1 36 ARG HG3 . . 3.600 2.533 2.533 2.533 . 0 0 "[ ]" 1
532 1 36 ARG H 1 37 VAL H . . 6.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
533 1 36 ARG HA 1 36 ARG HG2 . . 4.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
534 1 36 ARG HA 1 36 ARG HG3 . . 4.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
535 1 36 ARG HA 1 37 VAL H . . 3.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
536 1 36 ARG HA 1 88 GLN HA . . 3.200 2.133 2.133 2.133 . 0 0 "[ ]" 1
537 1 36 ARG HA 1 88 GLN HB3 . . 6.000 4.578 4.578 4.578 . 0 0 "[ ]" 1
538 1 36 ARG HA 1 88 GLN HG2 . . 6.000 4.897 4.897 4.897 . 0 0 "[ ]" 1
539 1 36 ARG HA 1 89 GLY H . . 3.800 3.653 3.653 3.653 . 0 0 "[ ]" 1
540 1 36 ARG HB2 1 37 VAL H . . 4.200 4.054 4.054 4.054 . 0 0 "[ ]" 1
541 1 36 ARG HB2 1 86 VAL HA . . 6.000 5.517 5.517 5.517 . 0 0 "[ ]" 1
542 1 36 ARG HB2 1 86 VAL MG1 . . 7.000 4.738 4.738 4.738 . 0 0 "[ ]" 1
543 1 36 ARG HB2 1 86 VAL MG2 . . 7.000 5.153 5.153 5.153 . 0 0 "[ ]" 1
544 1 36 ARG HB2 1 88 GLN HA . . 6.000 4.615 4.615 4.615 . 0 0 "[ ]" 1
545 1 36 ARG HB3 1 37 VAL H . . 4.000 3.499 3.499 3.499 . 0 0 "[ ]" 1
546 1 36 ARG HB3 1 86 VAL HA . . 6.000 4.951 4.951 4.951 . 0 0 "[ ]" 1
547 1 36 ARG HB3 1 89 GLY H . . 6.000 5.196 5.196 5.196 . 0 0 "[ ]" 1
548 1 36 ARG QD 1 37 VAL H . . 7.000 5.421 5.421 5.421 . 0 0 "[ ]" 1
549 1 36 ARG QD 1 86 VAL MG2 . . 7.800 4.138 4.138 4.138 . 0 0 "[ ]" 1
550 1 36 ARG QD 1 103 LEU MD1 . . 8.000 5.762 5.762 5.762 . 0 0 "[ ]" 1
551 1 36 ARG QD 1 103 LEU MD2 . . 8.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
552 1 36 ARG HG2 1 37 VAL H . . 6.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
553 1 36 ARG HG2 1 88 GLN HA . . 6.000 3.222 3.222 3.222 . 0 0 "[ ]" 1
554 1 36 ARG HG2 1 88 GLN HB2 . . 6.000 2.316 2.316 2.316 . 0 0 "[ ]" 1
555 1 36 ARG HG2 1 88 GLN HB3 . . 6.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
556 1 36 ARG HG2 1 88 GLN HG2 . . 6.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
557 1 36 ARG HG2 1 88 GLN HG3 . . 6.000 2.271 2.271 2.271 . 0 0 "[ ]" 1
558 1 36 ARG HG3 1 37 VAL H . . 6.000 5.426 5.426 5.426 . 0 0 "[ ]" 1
559 1 36 ARG HG3 1 88 GLN HA . . 6.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
560 1 36 ARG HG3 1 88 GLN HB2 . . 6.000 3.864 3.864 3.864 . 0 0 "[ ]" 1
561 1 36 ARG HG3 1 88 GLN HG2 . . 6.000 5.585 5.585 5.585 . 0 0 "[ ]" 1
562 1 36 ARG HG3 1 88 GLN HG3 . . 6.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
563 1 36 ARG HG3 1 89 GLY H . . 6.000 5.716 5.716 5.716 . 0 0 "[ ]" 1
564 1 37 VAL H 1 37 VAL HB . . 4.300 2.914 2.914 2.914 . 0 0 "[ ]" 1
565 1 37 VAL H 1 37 VAL MG1 . . 4.400 2.118 2.118 2.118 . 0 0 "[ ]" 1
566 1 37 VAL H 1 38 GLY H . . 6.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
567 1 37 VAL H 1 86 VAL HA . . 6.000 5.086 5.086 5.086 . 0 0 "[ ]" 1
568 1 37 VAL H 1 86 VAL MG1 . . 7.000 5.811 5.811 5.811 . 0 0 "[ ]" 1
569 1 37 VAL H 1 87 ALA H . . 3.300 3.291 3.291 3.291 . 0 0 "[ ]" 1
570 1 37 VAL H 1 87 ALA MB . . 6.500 3.372 3.372 3.372 . 0 0 "[ ]" 1
571 1 37 VAL H 1 88 GLN HA . . 3.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
572 1 37 VAL HA 1 38 GLY H . . 3.500 2.292 2.292 2.292 . 0 0 "[ ]" 1
573 1 37 VAL HB 1 38 GLY H . . 4.900 4.152 4.152 4.152 . 0 0 "[ ]" 1
574 1 37 VAL MG1 1 38 GLY H . . 5.400 3.874 3.874 3.874 . 0 0 "[ ]" 1
575 1 37 VAL MG1 1 69 VAL MG2 . . 5.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
576 1 37 VAL MG1 1 79 PHE CG . . 9.000 8.706 8.706 8.706 . 0 0 "[ ]" 1
577 1 37 VAL MG1 1 87 ALA MB . . 5.500 1.982 1.982 1.982 . 0 0 "[ ]" 1
578 1 37 VAL MG2 1 38 GLY H . . 5.600 2.428 2.428 2.428 . 0 0 "[ ]" 1
579 1 37 VAL MG2 1 39 GLY H . . 6.800 4.025 4.025 4.025 . 0 0 "[ ]" 1
580 1 37 VAL MG2 1 87 ALA H . . 7.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
581 1 38 GLY H 1 39 GLY H . . 5.400 4.246 4.246 4.246 . 0 0 "[ ]" 1
582 1 38 GLY HA2 1 39 GLY H . . 3.500 2.196 2.196 2.196 . 0 0 "[ ]" 1
583 1 38 GLY HA2 1 86 VAL HA . . 3.400 2.200 2.200 2.200 . 0 0 "[ ]" 1
584 1 38 GLY HA2 1 86 VAL MG1 . . 7.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
585 1 38 GLY HA2 1 87 ALA H . . 3.300 3.405 3.405 3.405 0.105 1 0 "[ ]" 1
586 1 38 GLY HA3 1 39 GLY H . . 4.100 3.317 3.317 3.317 . 0 0 "[ ]" 1
587 1 38 GLY HA3 1 86 VAL HA . . 4.200 3.445 3.445 3.445 . 0 0 "[ ]" 1
588 1 38 GLY HA3 1 86 VAL MG1 . . 7.000 2.277 2.277 2.277 . 0 0 "[ ]" 1
589 1 38 GLY HA3 1 87 ALA H . . 4.500 4.561 4.561 4.561 0.061 1 0 "[ ]" 1
590 1 39 GLY H 1 40 MET H . . 6.000 4.328 4.328 4.328 . 0 0 "[ ]" 1
591 1 39 GLY H 1 59 VAL MG2 . . 7.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
592 1 39 GLY H 1 84 GLY HA2 . . 6.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
593 1 39 GLY H 1 85 ILE H . . 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 1
594 1 39 GLY H 1 86 VAL HA . . 3.600 3.610 3.610 3.610 0.010 1 0 "[ ]" 1
595 1 39 GLY HA2 1 40 MET H . . 3.600 2.709 2.709 2.709 . 0 0 "[ ]" 1
596 1 39 GLY HA3 1 40 MET H . . 3.400 2.439 2.439 2.439 . 0 0 "[ ]" 1
597 1 39 GLY HA3 1 59 VAL MG2 . . 5.800 4.270 4.270 4.270 . 0 0 "[ ]" 1
598 1 40 MET H 1 40 MET HB2 . . 4.000 3.770 3.770 3.770 . 0 0 "[ ]" 1
599 1 40 MET H 1 40 MET HB3 . . 4.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
600 1 40 MET H 1 40 MET ME . . 4.800 3.571 3.571 3.571 . 0 0 "[ ]" 1
601 1 40 MET H 1 40 MET HG2 . . 4.900 2.082 2.082 2.082 . 0 0 "[ ]" 1
602 1 40 MET H 1 40 MET HG3 . . 4.600 3.197 3.197 3.197 . 0 0 "[ ]" 1
603 1 40 MET H 1 41 VAL H . . 5.200 4.438 4.438 4.438 . 0 0 "[ ]" 1
604 1 40 MET H 1 59 VAL MG1 . . 7.000 2.912 2.912 2.912 . 0 0 "[ ]" 1
605 1 40 MET H 1 59 VAL MG2 . . 6.700 4.273 4.273 4.273 . 0 0 "[ ]" 1
606 1 40 MET H 1 60 HIS H . . 3.700 3.215 3.215 3.215 . 0 0 "[ ]" 1
607 1 40 MET H 1 60 HIS HB2 . . 6.000 5.757 5.757 5.757 . 0 0 "[ ]" 1
608 1 40 MET H 1 61 ASP HA . . 5.600 3.319 3.319 3.319 . 0 0 "[ ]" 1
609 1 40 MET HA 1 40 MET ME . . 5.800 4.154 4.154 4.154 . 0 0 "[ ]" 1
610 1 40 MET HA 1 41 VAL H . . 3.200 2.051 2.051 2.051 . 0 0 "[ ]" 1
611 1 40 MET HA 1 41 VAL MG2 . . 7.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
612 1 40 MET HA 1 84 GLY HA2 . . 2.900 2.022 2.022 2.022 . 0 0 "[ ]" 1
613 1 40 MET HA 1 84 GLY HA3 . . 3.500 3.434 3.434 3.434 . 0 0 "[ ]" 1
614 1 40 MET HA 1 85 ILE H . . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
615 1 40 MET HB2 1 40 MET ME . . 5.000 3.176 3.176 3.176 . 0 0 "[ ]" 1
616 1 40 MET HB2 1 41 VAL H . . 4.700 3.072 3.072 3.072 . 0 0 "[ ]" 1
617 1 40 MET HB3 1 40 MET ME . . 4.000 2.125 2.125 2.125 . 0 0 "[ ]" 1
618 1 40 MET HB3 1 41 VAL H . . 4.800 3.997 3.997 3.997 . 0 0 "[ ]" 1
619 1 40 MET HB3 1 84 GLY HA2 . . 6.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
620 1 40 MET ME 1 41 VAL H . . 6.600 5.536 5.536 5.536 . 0 0 "[ ]" 1
621 1 40 MET HG2 1 41 VAL H . . 6.000 4.994 4.994 4.994 . 0 0 "[ ]" 1
622 1 40 MET HG3 1 41 VAL H . . 6.000 4.348 4.348 4.348 . 0 0 "[ ]" 1
623 1 41 VAL H 1 41 VAL HB . . 3.800 2.407 2.407 2.407 . 0 0 "[ ]" 1
624 1 41 VAL H 1 41 VAL MG2 . . 3.700 2.150 2.150 2.150 . 0 0 "[ ]" 1
625 1 41 VAL H 1 42 THR H . . 6.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
626 1 41 VAL H 1 82 GLY H . . 5.500 4.690 4.690 4.690 . 0 0 "[ ]" 1
627 1 41 VAL H 1 83 GLN H . . 3.400 3.172 3.172 3.172 . 0 0 "[ ]" 1
628 1 41 VAL H 1 84 GLY HA2 . . 3.400 2.907 2.907 2.907 . 0 0 "[ ]" 1
629 1 41 VAL H 1 84 GLY HA3 . . 4.500 4.565 4.565 4.565 0.065 1 0 "[ ]" 1
630 1 41 VAL H 1 85 ILE H . . 6.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
631 1 41 VAL H 1 85 ILE MD . . 7.000 5.891 5.891 5.891 . 0 0 "[ ]" 1
632 1 41 VAL HA 1 41 VAL MG2 . . 3.700 2.368 2.368 2.368 . 0 0 "[ ]" 1
633 1 41 VAL HA 1 42 THR H . . 3.200 2.224 2.224 2.224 . 0 0 "[ ]" 1
634 1 41 VAL HA 1 59 VAL HA . . 3.700 2.680 2.680 2.680 . 0 0 "[ ]" 1
635 1 41 VAL HA 1 59 VAL MG1 . . 5.700 4.005 4.005 4.005 . 0 0 "[ ]" 1
636 1 41 VAL HA 1 59 VAL MG2 . . 5.700 2.288 2.288 2.288 . 0 0 "[ ]" 1
637 1 41 VAL HA 1 60 HIS H . . 6.000 3.825 3.825 3.825 . 0 0 "[ ]" 1
638 1 41 VAL HB 1 42 THR H . . 6.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
639 1 41 VAL HB 1 59 VAL MG1 . . 6.600 6.031 6.031 6.031 . 0 0 "[ ]" 1
640 1 41 VAL HB 1 83 GLN H . . 5.500 2.141 2.141 2.141 . 0 0 "[ ]" 1
641 1 41 VAL MG1 1 42 THR H . . 5.200 3.005 3.005 3.005 . 0 0 "[ ]" 1
642 1 41 VAL MG1 1 45 SER HG . . 7.000 5.990 5.990 5.990 . 0 0 "[ ]" 1
643 1 41 VAL MG1 1 57 PHE CG . . 9.000 4.690 4.690 4.690 . 0 0 "[ ]" 1
644 1 41 VAL MG1 1 57 PHE CZ . . 9.000 5.832 5.832 5.832 . 0 0 "[ ]" 1
645 1 41 VAL MG1 1 57 PHE HZ . . 7.000 6.441 6.441 6.441 . 0 0 "[ ]" 1
646 1 41 VAL MG1 1 59 VAL HA . . 7.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
647 1 41 VAL MG1 1 59 VAL MG2 . . 7.300 3.222 3.222 3.222 . 0 0 "[ ]" 1
648 1 41 VAL MG1 1 79 PHE CZ . . 9.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
649 1 41 VAL MG1 1 81 GLU HA . . 4.800 2.115 2.115 2.115 . 0 0 "[ ]" 1
650 1 41 VAL MG1 1 82 GLY H . . 7.000 2.255 2.255 2.255 . 0 0 "[ ]" 1
651 1 41 VAL MG1 1 83 GLN H . . 7.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
652 1 41 VAL MG1 1 85 ILE MD . . 5.800 4.842 4.842 4.842 . 0 0 "[ ]" 1
653 1 41 VAL MG1 1 85 ILE HG12 . . 5.000 4.268 4.268 4.268 . 0 0 "[ ]" 1
654 1 41 VAL MG2 1 42 THR H . . 5.800 4.183 4.183 4.183 . 0 0 "[ ]" 1
655 1 41 VAL MG2 1 57 PHE CG . . 9.000 4.927 4.927 4.927 . 0 0 "[ ]" 1
656 1 41 VAL MG2 1 57 PHE CZ . . 9.000 5.004 5.004 5.004 . 0 0 "[ ]" 1
657 1 41 VAL MG2 1 59 VAL MG1 . . 8.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
658 1 41 VAL MG2 1 79 PHE CZ . . 9.000 2.599 2.599 2.599 . 0 0 "[ ]" 1
659 1 41 VAL MG2 1 79 PHE HZ . . 7.000 2.311 2.311 2.311 . 0 0 "[ ]" 1
660 1 41 VAL MG2 1 81 GLU HA . . 6.600 3.484 3.484 3.484 . 0 0 "[ ]" 1
661 1 41 VAL MG2 1 82 GLY H . . 7.000 4.054 4.054 4.054 . 0 0 "[ ]" 1
662 1 41 VAL MG2 1 83 GLN H . . 6.900 3.323 3.323 3.323 . 0 0 "[ ]" 1
663 1 41 VAL MG2 1 85 ILE MG . . 5.200 2.463 2.463 2.463 . 0 0 "[ ]" 1
664 1 42 THR H 1 42 THR HB . . 3.900 2.503 2.503 2.503 . 0 0 "[ ]" 1
665 1 42 THR H 1 42 THR MG . . 4.800 3.723 3.723 3.723 . 0 0 "[ ]" 1
666 1 42 THR H 1 43 VAL H . . 4.400 4.436 4.436 4.436 0.036 1 0 "[ ]" 1
667 1 42 THR H 1 43 VAL HA . . 6.000 5.485 5.485 5.485 . 0 0 "[ ]" 1
668 1 42 THR H 1 45 SER HB3 . . 6.000 5.381 5.381 5.381 . 0 0 "[ ]" 1
669 1 42 THR H 1 45 SER HG . . 6.000 5.840 5.840 5.840 . 0 0 "[ ]" 1
670 1 42 THR H 1 58 ALA H . . 6.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
671 1 42 THR H 1 59 VAL H . . 6.000 5.072 5.072 5.072 . 0 0 "[ ]" 1
672 1 42 THR H 1 59 VAL HA . . 4.000 2.889 2.889 2.889 . 0 0 "[ ]" 1
673 1 42 THR H 1 59 VAL MG1 . . 7.000 4.978 4.978 4.978 . 0 0 "[ ]" 1
674 1 42 THR HA 1 43 VAL H . . 3.600 2.121 2.121 2.121 . 0 0 "[ ]" 1
675 1 42 THR HA 1 43 VAL MG1 . . 6.400 3.871 3.871 3.871 . 0 0 "[ ]" 1
676 1 42 THR HA 1 43 VAL MG2 . . 6.600 5.466 5.466 5.466 . 0 0 "[ ]" 1
677 1 42 THR HA 1 44 GLY H . . 5.400 4.273 4.273 4.273 . 0 0 "[ ]" 1
678 1 42 THR HB 1 43 VAL H . . 5.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
679 1 42 THR HB 1 45 SER H . . 5.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
680 1 42 THR HB 1 45 SER HB2 . . 5.600 2.301 2.301 2.301 . 0 0 "[ ]" 1
681 1 42 THR HB 1 45 SER HB3 . . 6.000 3.467 3.467 3.467 . 0 0 "[ ]" 1
682 1 42 THR HB 1 45 SER HG . . 5.200 3.402 3.402 3.402 . 0 0 "[ ]" 1
683 1 42 THR HB 1 58 ALA H . . 6.000 4.039 4.039 4.039 . 0 0 "[ ]" 1
684 1 42 THR HB 1 58 ALA MB . . 6.700 2.708 2.708 2.708 . 0 0 "[ ]" 1
685 1 42 THR MG 1 43 VAL H . . 5.600 3.000 3.000 3.000 . 0 0 "[ ]" 1
686 1 42 THR MG 1 43 VAL HB . . 5.900 4.764 4.764 4.764 . 0 0 "[ ]" 1
687 1 42 THR MG 1 43 VAL MG1 . . 6.400 3.173 3.173 3.173 . 0 0 "[ ]" 1
688 1 42 THR MG 1 44 GLY H . . 6.500 2.492 2.492 2.492 . 0 0 "[ ]" 1
689 1 42 THR MG 1 45 SER H . . 7.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
690 1 42 THR MG 1 45 SER HA . . 5.300 4.436 4.436 4.436 . 0 0 "[ ]" 1
691 1 42 THR MG 1 45 SER HB2 . . 4.600 3.445 3.445 3.445 . 0 0 "[ ]" 1
692 1 42 THR MG 1 45 SER HB3 . . 5.100 3.981 3.981 3.981 . 0 0 "[ ]" 1
693 1 42 THR MG 1 45 SER HG . . 4.800 2.721 2.721 2.721 . 0 0 "[ ]" 1
694 1 43 VAL H 1 43 VAL HB . . 3.900 2.384 2.384 2.384 . 0 0 "[ ]" 1
695 1 43 VAL H 1 43 VAL MG1 . . 3.400 2.320 2.320 2.320 . 0 0 "[ ]" 1
696 1 43 VAL H 1 43 VAL MG2 . . 4.800 3.753 3.753 3.753 . 0 0 "[ ]" 1
697 1 43 VAL H 1 44 GLY H . . 3.200 3.123 3.123 3.123 . 0 0 "[ ]" 1
698 1 43 VAL H 1 45 SER H . . 5.600 5.078 5.078 5.078 . 0 0 "[ ]" 1
699 1 43 VAL H 1 45 SER HB2 . . 6.000 5.725 5.725 5.725 . 0 0 "[ ]" 1
700 1 43 VAL H 1 45 SER HG . . 6.000 6.011 6.011 6.011 0.011 1 0 "[ ]" 1
701 1 43 VAL H 1 81 GLU HB2 . . 6.000 5.914 5.914 5.914 . 0 0 "[ ]" 1
702 1 43 VAL H 1 81 GLU HB3 . . 6.000 4.763 4.763 4.763 . 0 0 "[ ]" 1
703 1 43 VAL HA 1 44 GLY H . . 3.700 3.566 3.566 3.566 . 0 0 "[ ]" 1
704 1 43 VAL HA 1 45 SER H . . 4.700 4.409 4.409 4.409 . 0 0 "[ ]" 1
705 1 43 VAL HA 1 81 GLU HA . . 4.700 4.266 4.266 4.266 . 0 0 "[ ]" 1
706 1 43 VAL HA 1 81 GLU HB2 . . 6.000 3.244 3.244 3.244 . 0 0 "[ ]" 1
707 1 43 VAL HA 1 81 GLU HB3 . . 5.800 2.340 2.340 2.340 . 0 0 "[ ]" 1
708 1 43 VAL HA 1 82 GLY H . . 6.000 2.557 2.557 2.557 . 0 0 "[ ]" 1
709 1 43 VAL HA 1 82 GLY HA3 . . 4.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
710 1 43 VAL HB 1 44 GLY H . . 4.500 4.014 4.014 4.014 . 0 0 "[ ]" 1
711 1 43 VAL HB 1 82 GLY H . . 6.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
712 1 43 VAL MG1 1 44 GLY H . . 5.000 2.225 2.225 2.225 . 0 0 "[ ]" 1
713 1 43 VAL MG1 1 82 GLY H . . 6.300 5.206 5.206 5.206 . 0 0 "[ ]" 1
714 1 43 VAL MG1 1 82 GLY HA2 . . 7.000 4.836 4.836 4.836 . 0 0 "[ ]" 1
715 1 43 VAL MG1 1 82 GLY HA3 . . 7.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
716 1 43 VAL MG2 1 44 GLY H . . 4.700 3.648 3.648 3.648 . 0 0 "[ ]" 1
717 1 43 VAL MG2 1 45 SER H . . 6.700 5.091 5.091 5.091 . 0 0 "[ ]" 1
718 1 43 VAL MG2 1 82 GLY HA2 . . 7.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
719 1 44 GLY H 1 45 SER H . . 3.700 3.228 3.228 3.228 . 0 0 "[ ]" 1
720 1 44 GLY H 1 45 SER HB2 . . 5.800 4.771 4.771 4.771 . 0 0 "[ ]" 1
721 1 44 GLY H 1 45 SER HG . . 6.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
722 1 44 GLY H 1 46 MET H . . 6.000 5.138 5.138 5.138 . 0 0 "[ ]" 1
723 1 44 GLY HA2 1 45 SER H . . 4.100 2.701 2.701 2.701 . 0 0 "[ ]" 1
724 1 44 GLY HA2 1 46 MET H . . 6.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
725 1 44 GLY HA3 1 45 SER H . . 4.500 3.618 3.618 3.618 . 0 0 "[ ]" 1
726 1 44 GLY HA3 1 46 MET H . . 6.000 4.994 4.994 4.994 . 0 0 "[ ]" 1
727 1 45 SER H 1 45 SER HB3 . . 4.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
728 1 45 SER H 1 45 SER HG . . 3.700 3.340 3.340 3.340 . 0 0 "[ ]" 1
729 1 45 SER H 1 46 MET H . . 3.400 1.994 1.994 1.994 . 0 0 "[ ]" 1
730 1 45 SER H 1 46 MET HB2 . . 5.800 4.204 4.204 4.204 . 0 0 "[ ]" 1
731 1 45 SER H 1 58 ALA H . . 5.800 4.904 4.904 4.904 . 0 0 "[ ]" 1
732 1 45 SER H 1 58 ALA MB . . 7.000 5.039 5.039 5.039 . 0 0 "[ ]" 1
733 1 45 SER HA 1 45 SER HB2 . . 3.100 3.029 3.029 3.029 . 0 0 "[ ]" 1
734 1 45 SER HA 1 46 MET H . . 4.100 3.348 3.348 3.348 . 0 0 "[ ]" 1
735 1 45 SER HA 1 58 ALA H . . 5.700 4.498 4.498 4.498 . 0 0 "[ ]" 1
736 1 45 SER HA 1 58 ALA MB . . 7.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
737 1 45 SER HB2 1 46 MET H . . 5.300 3.634 3.634 3.634 . 0 0 "[ ]" 1
738 1 45 SER HB2 1 58 ALA H . . 6.000 2.496 2.496 2.496 . 0 0 "[ ]" 1
739 1 45 SER HB2 1 58 ALA MB . . 7.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
740 1 45 SER HB2 1 68 LEU MD2 . . 6.600 6.074 6.074 6.074 . 0 0 "[ ]" 1
741 1 45 SER HB3 1 46 MET H . . 6.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
742 1 45 SER HB3 1 58 ALA H . . 6.000 2.575 2.575 2.575 . 0 0 "[ ]" 1
743 1 45 SER HB3 1 58 ALA MB . . 7.000 2.253 2.253 2.253 . 0 0 "[ ]" 1
744 1 45 SER HG 1 46 MET H . . 6.000 4.678 4.678 4.678 . 0 0 "[ ]" 1
745 1 45 SER HG 1 57 PHE HA . . 6.000 6.048 6.048 6.048 0.048 1 0 "[ ]" 1
746 1 45 SER HG 1 58 ALA H . . 5.600 4.859 4.859 4.859 . 0 0 "[ ]" 1
747 1 46 MET H 1 46 MET HB2 . . 3.900 2.649 2.649 2.649 . 0 0 "[ ]" 1
748 1 46 MET H 1 46 MET HB3 . . 4.100 2.170 2.170 2.170 . 0 0 "[ ]" 1
749 1 46 MET H 1 46 MET ME . . 5.600 4.460 4.460 4.460 . 0 0 "[ ]" 1
750 1 46 MET H 1 46 MET HG2 . . 4.900 4.370 4.370 4.370 . 0 0 "[ ]" 1
751 1 46 MET H 1 46 MET HG3 . . 4.800 4.234 4.234 4.234 . 0 0 "[ ]" 1
752 1 46 MET H 1 47 VAL H . . 4.800 4.440 4.440 4.440 . 0 0 "[ ]" 1
753 1 46 MET H 1 47 VAL MG2 . . 7.000 5.394 5.394 5.394 . 0 0 "[ ]" 1
754 1 46 MET HA 1 46 MET ME . . 5.000 2.092 2.092 2.092 . 0 0 "[ ]" 1
755 1 46 MET HA 1 46 MET HG2 . . 4.300 3.979 3.979 3.979 . 0 0 "[ ]" 1
756 1 46 MET HA 1 46 MET HG3 . . 4.200 3.412 3.412 3.412 . 0 0 "[ ]" 1
757 1 46 MET HA 1 47 VAL H . . 3.000 2.297 2.297 2.297 . 0 0 "[ ]" 1
758 1 46 MET HA 1 47 VAL MG2 . . 6.500 4.077 4.077 4.077 . 0 0 "[ ]" 1
759 1 46 MET HA 1 57 PHE HA . . 3.300 2.838 2.838 2.838 . 0 0 "[ ]" 1
760 1 46 MET HA 1 57 PHE HB2 . . 5.900 3.072 3.072 3.072 . 0 0 "[ ]" 1
761 1 46 MET HA 1 57 PHE HB3 . . 4.900 2.382 2.382 2.382 . 0 0 "[ ]" 1
762 1 46 MET HA 1 58 ALA H . . 5.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
763 1 46 MET HB2 1 46 MET ME . . 4.400 3.354 3.354 3.354 . 0 0 "[ ]" 1
764 1 46 MET HB2 1 47 VAL H . . 5.100 4.524 4.524 4.524 . 0 0 "[ ]" 1
765 1 46 MET HB2 1 57 PHE HB3 . . 6.000 3.629 3.629 3.629 . 0 0 "[ ]" 1
766 1 46 MET HB3 1 46 MET ME . . 4.400 3.728 3.728 3.728 . 0 0 "[ ]" 1
767 1 46 MET HB3 1 46 MET HG2 . . 3.000 2.294 2.294 2.294 . 0 0 "[ ]" 1
768 1 46 MET HB3 1 47 VAL H . . 5.500 4.532 4.532 4.532 . 0 0 "[ ]" 1
769 1 46 MET HB3 1 57 PHE HB2 . . 6.000 5.241 5.241 5.241 . 0 0 "[ ]" 1
770 1 46 MET ME 1 47 VAL H . . 7.000 2.160 2.160 2.160 . 0 0 "[ ]" 1
771 1 46 MET ME 1 55 VAL HB . . 4.900 2.224 2.224 2.224 . 0 0 "[ ]" 1
772 1 46 MET ME 1 57 PHE HA . . 7.000 3.710 3.710 3.710 . 0 0 "[ ]" 1
773 1 46 MET ME 1 57 PHE HB3 . . 6.900 2.549 2.549 2.549 . 0 0 "[ ]" 1
774 1 46 MET ME 1 75 LEU MD1 . . 7.100 2.443 2.443 2.443 . 0 0 "[ ]" 1
775 1 46 MET ME 1 75 LEU MD2 . . 7.500 4.345 4.345 4.345 . 0 0 "[ ]" 1
776 1 46 MET ME 1 79 PHE CZ . . 9.000 5.211 5.211 5.211 . 0 0 "[ ]" 1
777 1 46 MET HG2 1 47 VAL H . . 6.000 5.300 5.300 5.300 . 0 0 "[ ]" 1
778 1 46 MET HG2 1 55 VAL MG1 . . 7.000 5.316 5.316 5.316 . 0 0 "[ ]" 1
779 1 46 MET HG2 1 55 VAL MG2 . . 7.000 7.124 7.124 7.124 0.124 1 0 "[ ]" 1
780 1 46 MET HG2 1 57 PHE HB2 . . 6.000 5.925 5.925 5.925 . 0 0 "[ ]" 1
781 1 46 MET HG2 1 57 PHE HB3 . . 6.000 5.218 5.218 5.218 . 0 0 "[ ]" 1
782 1 46 MET HG2 1 81 GLU HB3 . . 6.000 5.596 5.596 5.596 . 0 0 "[ ]" 1
783 1 46 MET HG2 1 81 GLU HG2 . . 5.700 3.600 3.600 3.600 . 0 0 "[ ]" 1
784 1 46 MET HG2 1 81 GLU HG3 . . 5.600 3.204 3.204 3.204 . 0 0 "[ ]" 1
785 1 46 MET HG3 1 47 VAL H . . 6.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
786 1 46 MET HG3 1 48 ARG H . . 6.000 5.304 5.304 5.304 . 0 0 "[ ]" 1
787 1 46 MET HG3 1 55 VAL MG1 . . 7.000 4.494 4.494 4.494 . 0 0 "[ ]" 1
788 1 46 MET HG3 1 57 PHE HB2 . . 6.000 6.051 6.051 6.051 0.051 1 0 "[ ]" 1
789 1 46 MET HG3 1 57 PHE HB3 . . 6.000 5.058 5.058 5.058 . 0 0 "[ ]" 1
790 1 46 MET HG3 1 79 PHE CZ . . 8.000 6.879 6.879 6.879 . 0 0 "[ ]" 1
791 1 47 VAL H 1 47 VAL MG1 . . 4.700 2.998 2.998 2.998 . 0 0 "[ ]" 1
792 1 47 VAL H 1 47 VAL MG2 . . 4.400 2.318 2.318 2.318 . 0 0 "[ ]" 1
793 1 47 VAL H 1 48 ARG H . . 4.600 4.461 4.461 4.461 . 0 0 "[ ]" 1
794 1 47 VAL H 1 55 VAL MG1 . . 6.700 4.688 4.688 4.688 . 0 0 "[ ]" 1
795 1 47 VAL H 1 56 GLN H . . 3.200 3.212 3.212 3.212 0.012 1 0 "[ ]" 1
796 1 47 VAL H 1 56 GLN HG2 . . 6.000 4.605 4.605 4.605 . 0 0 "[ ]" 1
797 1 47 VAL H 1 56 GLN HG3 . . 6.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
798 1 47 VAL H 1 57 PHE HA . . 3.500 3.326 3.326 3.326 . 0 0 "[ ]" 1
799 1 47 VAL H 1 57 PHE HB2 . . 6.000 4.769 4.769 4.769 . 0 0 "[ ]" 1
800 1 47 VAL H 1 57 PHE HB3 . . 6.000 3.657 3.657 3.657 . 0 0 "[ ]" 1
801 1 47 VAL HA 1 48 ARG H . . 3.000 2.282 2.282 2.282 . 0 0 "[ ]" 1
802 1 47 VAL HB 1 48 ARG H . . 5.200 2.741 2.741 2.741 . 0 0 "[ ]" 1
803 1 47 VAL HB 1 56 GLN H . . 6.000 5.179 5.179 5.179 . 0 0 "[ ]" 1
804 1 47 VAL HB 1 56 GLN HE21 . . 6.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
805 1 47 VAL HB 1 56 GLN HE22 . . 6.000 5.968 5.968 5.968 . 0 0 "[ ]" 1
806 1 47 VAL HB 1 56 GLN HG2 . . 6.000 5.075 5.075 5.075 . 0 0 "[ ]" 1
807 1 47 VAL MG1 1 48 ARG H . . 5.600 3.845 3.845 3.845 . 0 0 "[ ]" 1
808 1 47 VAL MG1 1 56 GLN H . . 6.500 5.253 5.253 5.253 . 0 0 "[ ]" 1
809 1 47 VAL MG1 1 56 GLN HE21 . . 7.000 4.129 4.129 4.129 . 0 0 "[ ]" 1
810 1 47 VAL MG1 1 56 GLN HE22 . . 6.800 5.426 5.426 5.426 . 0 0 "[ ]" 1
811 1 47 VAL MG1 1 56 GLN HG2 . . 7.000 5.407 5.407 5.407 . 0 0 "[ ]" 1
812 1 47 VAL MG1 1 57 PHE CG . . 9.000 7.317 7.317 7.317 . 0 0 "[ ]" 1
813 1 47 VAL MG1 1 57 PHE HA . . 7.000 4.578 4.578 4.578 . 0 0 "[ ]" 1
814 1 47 VAL MG2 1 48 ARG H . . 7.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
815 1 47 VAL MG2 1 56 GLN H . . 7.000 3.200 3.200 3.200 . 0 0 "[ ]" 1
816 1 47 VAL MG2 1 56 GLN HB3 . . 5.500 4.439 4.439 4.439 . 0 0 "[ ]" 1
817 1 47 VAL MG2 1 56 GLN HE21 . . 7.000 2.062 2.062 2.062 . 0 0 "[ ]" 1
818 1 47 VAL MG2 1 56 GLN HE22 . . 6.700 3.366 3.366 3.366 . 0 0 "[ ]" 1
819 1 47 VAL MG2 1 56 GLN HG2 . . 7.000 2.672 2.672 2.672 . 0 0 "[ ]" 1
820 1 48 ARG H 1 48 ARG HB2 . . 4.100 3.847 3.847 3.847 . 0 0 "[ ]" 1
821 1 48 ARG H 1 48 ARG HB3 . . 3.800 3.165 3.165 3.165 . 0 0 "[ ]" 1
822 1 48 ARG H 1 48 ARG QD . . 5.900 4.125 4.125 4.125 . 0 0 "[ ]" 1
823 1 48 ARG H 1 49 ASP H . . 5.800 4.403 4.403 4.403 . 0 0 "[ ]" 1
824 1 48 ARG HA 1 49 ASP H . . 3.100 2.263 2.263 2.263 . 0 0 "[ ]" 1
825 1 48 ARG HA 1 55 VAL HA . . 3.100 2.144 2.144 2.144 . 0 0 "[ ]" 1
826 1 48 ARG HA 1 55 VAL HB . . 6.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
827 1 48 ARG HA 1 55 VAL MG2 . . 5.400 4.481 4.481 4.481 . 0 0 "[ ]" 1
828 1 48 ARG HA 1 56 GLN H . . 3.300 3.354 3.354 3.354 0.054 1 0 "[ ]" 1
829 1 48 ARG HB2 1 49 ASP H . . 4.100 3.003 3.003 3.003 . 0 0 "[ ]" 1
830 1 48 ARG HB2 1 55 VAL HA . . 6.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
831 1 48 ARG HB2 1 55 VAL HB . . 4.800 4.943 4.943 4.943 0.143 1 0 "[ ]" 1
832 1 48 ARG HB2 1 55 VAL MG1 . . 5.700 2.247 2.247 2.247 . 0 0 "[ ]" 1
833 1 48 ARG HB2 1 55 VAL MG2 . . 5.600 4.493 4.493 4.493 . 0 0 "[ ]" 1
834 1 48 ARG HB3 1 49 ASP H . . 4.300 4.146 4.146 4.146 . 0 0 "[ ]" 1
835 1 48 ARG HB3 1 55 VAL MG1 . . 5.700 2.066 2.066 2.066 . 0 0 "[ ]" 1
836 1 48 ARG HB3 1 55 VAL MG2 . . 5.900 4.783 4.783 4.783 . 0 0 "[ ]" 1
837 1 48 ARG QD 1 49 ASP H . . 7.000 5.013 5.013 5.013 . 0 0 "[ ]" 1
838 1 48 ARG QD 1 55 VAL HB . . 7.000 5.780 5.780 5.780 . 0 0 "[ ]" 1
839 1 48 ARG QD 1 55 VAL MG1 . . 8.000 3.328 3.328 3.328 . 0 0 "[ ]" 1
840 1 48 ARG QD 1 55 VAL MG2 . . 8.000 5.367 5.367 5.367 . 0 0 "[ ]" 1
841 1 48 ARG QG 1 49 ASP H . . 7.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
842 1 48 ARG QG 1 55 VAL HB . . 7.000 6.260 6.260 6.260 . 0 0 "[ ]" 1
843 1 48 ARG QG 1 55 VAL MG2 . . 8.000 5.921 5.921 5.921 . 0 0 "[ ]" 1
844 1 49 ASP H 1 49 ASP HB2 . . 3.600 2.282 2.282 2.282 . 0 0 "[ ]" 1
845 1 49 ASP H 1 49 ASP HB3 . . 3.400 3.538 3.538 3.538 0.138 1 0 "[ ]" 1
846 1 49 ASP H 1 51 ASN H . . 6.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
847 1 49 ASP H 1 51 ASN HD21 . . 6.000 5.243 5.243 5.243 . 0 0 "[ ]" 1
848 1 49 ASP H 1 52 SER H . . 6.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
849 1 49 ASP H 1 53 LEU H . . 6.000 4.515 4.515 4.515 . 0 0 "[ ]" 1
850 1 49 ASP H 1 54 HIS H . . 3.700 3.468 3.468 3.468 . 0 0 "[ ]" 1
851 1 49 ASP H 1 55 VAL HA . . 3.600 3.302 3.302 3.302 . 0 0 "[ ]" 1
852 1 49 ASP H 1 55 VAL HB . . 6.000 5.648 5.648 5.648 . 0 0 "[ ]" 1
853 1 49 ASP H 1 55 VAL MG1 . . 6.400 3.258 3.258 3.258 . 0 0 "[ ]" 1
854 1 49 ASP H 1 55 VAL MG2 . . 6.700 4.690 4.690 4.690 . 0 0 "[ ]" 1
855 1 49 ASP HA 1 50 PRO HD2 . . 4.300 2.301 2.301 2.301 . 0 0 "[ ]" 1
856 1 49 ASP HA 1 50 PRO HD3 . . 4.600 2.556 2.556 2.556 . 0 0 "[ ]" 1
857 1 49 ASP HA 1 50 PRO HG3 . . 6.000 4.654 4.654 4.654 . 0 0 "[ ]" 1
858 1 49 ASP HA 1 51 ASN H . . 5.700 3.730 3.730 3.730 . 0 0 "[ ]" 1
859 1 49 ASP HA 1 51 ASN HD21 . . 6.000 4.428 4.428 4.428 . 0 0 "[ ]" 1
860 1 49 ASP HB2 1 51 ASN H . . 6.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
861 1 49 ASP HB2 1 51 ASN HD21 . . 6.000 3.186 3.186 3.186 . 0 0 "[ ]" 1
862 1 49 ASP HB2 1 54 HIS H . . 5.900 2.828 2.828 2.828 . 0 0 "[ ]" 1
863 1 49 ASP HB2 1 54 HIS HB2 . . 5.300 2.284 2.284 2.284 . 0 0 "[ ]" 1
864 1 49 ASP HB2 1 54 HIS HB3 . . 5.400 3.759 3.759 3.759 . 0 0 "[ ]" 1
865 1 49 ASP HB3 1 51 ASN HD21 . . 6.000 2.232 2.232 2.232 . 0 0 "[ ]" 1
866 1 49 ASP HB3 1 53 LEU H . . 6.000 4.309 4.309 4.309 . 0 0 "[ ]" 1
867 1 49 ASP HB3 1 54 HIS H . . 6.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
868 1 49 ASP HB3 1 54 HIS HB2 . . 6.000 3.466 3.466 3.466 . 0 0 "[ ]" 1
869 1 49 ASP HB3 1 54 HIS HB3 . . 5.800 4.948 4.948 4.948 . 0 0 "[ ]" 1
870 1 49 ASP HB3 1 54 HIS HD2 . . 6.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
871 1 50 PRO HA 1 50 PRO HG2 . . 4.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
872 1 50 PRO HA 1 50 PRO HG3 . . 4.200 4.157 4.157 4.157 . 0 0 "[ ]" 1
873 1 50 PRO HA 1 51 ASN H . . 3.900 3.469 3.469 3.469 . 0 0 "[ ]" 1
874 1 50 PRO HA 1 52 SER H . . 5.700 3.328 3.328 3.328 . 0 0 "[ ]" 1
875 1 50 PRO HA 1 53 LEU MD2 . . 7.000 6.986 6.986 6.986 . 0 0 "[ ]" 1
876 1 50 PRO HB2 1 51 ASN H . . 5.700 3.741 3.741 3.741 . 0 0 "[ ]" 1
877 1 50 PRO HB3 1 50 PRO HD3 . . 4.300 2.891 2.891 2.891 . 0 0 "[ ]" 1
878 1 50 PRO HB3 1 50 PRO HG2 . . 3.100 3.034 3.034 3.034 . 0 0 "[ ]" 1
879 1 50 PRO HB3 1 51 ASN H . . 5.200 4.312 4.312 4.312 . 0 0 "[ ]" 1
880 1 50 PRO HD2 1 51 ASN H . . 6.000 2.600 2.600 2.600 . 0 0 "[ ]" 1
881 1 50 PRO HD2 1 53 LEU MD2 . . 7.000 7.495 7.495 7.495 0.495 1 0 "[ ]" 1
882 1 50 PRO HD3 1 51 ASN H . . 6.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
883 1 50 PRO HG2 1 51 ASN H . . 6.000 2.617 2.617 2.617 . 0 0 "[ ]" 1
884 1 50 PRO HG2 1 51 ASN HA . . 6.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
885 1 50 PRO HG2 1 51 ASN HD21 . . 6.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
886 1 50 PRO HG3 1 51 ASN H . . 6.000 4.088 4.088 4.088 . 0 0 "[ ]" 1
887 1 51 ASN H 1 51 ASN HB2 . . 3.700 2.588 2.588 2.588 . 0 0 "[ ]" 1
888 1 51 ASN H 1 51 ASN HB3 . . 4.100 3.595 3.595 3.595 . 0 0 "[ ]" 1
889 1 51 ASN H 1 51 ASN HD21 . . 6.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
890 1 51 ASN H 1 51 ASN HD22 . . 5.800 3.760 3.760 3.760 . 0 0 "[ ]" 1
891 1 51 ASN H 1 52 SER H . . 3.300 2.782 2.782 2.782 . 0 0 "[ ]" 1
892 1 51 ASN H 1 52 SER HA . . 5.000 4.985 4.985 4.985 . 0 0 "[ ]" 1
893 1 51 ASN H 1 53 LEU H . . 5.300 4.593 4.593 4.593 . 0 0 "[ ]" 1
894 1 51 ASN HA 1 51 ASN HD22 . . 5.400 4.652 4.652 4.652 . 0 0 "[ ]" 1
895 1 51 ASN HA 1 52 SER H . . 4.200 3.558 3.558 3.558 . 0 0 "[ ]" 1
896 1 51 ASN HA 1 53 LEU MD1 . . 6.700 4.631 4.631 4.631 . 0 0 "[ ]" 1
897 1 51 ASN HB2 1 51 ASN HD22 . . 3.600 3.572 3.572 3.572 . 0 0 "[ ]" 1
898 1 51 ASN HB2 1 52 SER H . . 4.400 2.960 2.960 2.960 . 0 0 "[ ]" 1
899 1 51 ASN HB2 1 53 LEU H . . 6.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
900 1 51 ASN HB2 1 54 HIS H . . 5.500 3.749 3.749 3.749 . 0 0 "[ ]" 1
901 1 51 ASN HB2 1 54 HIS HB2 . . 6.000 3.254 3.254 3.254 . 0 0 "[ ]" 1
902 1 51 ASN HB2 1 54 HIS HB3 . . 5.800 4.993 4.993 4.993 . 0 0 "[ ]" 1
903 1 51 ASN HB3 1 51 ASN HD22 . . 4.100 3.946 3.946 3.946 . 0 0 "[ ]" 1
904 1 51 ASN HB3 1 52 SER H . . 4.100 3.956 3.956 3.956 . 0 0 "[ ]" 1
905 1 51 ASN HB3 1 53 LEU H . . 6.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
906 1 51 ASN HB3 1 54 HIS H . . 6.000 4.827 4.827 4.827 . 0 0 "[ ]" 1
907 1 52 SER H 1 52 SER HB2 . . 4.200 3.683 3.683 3.683 . 0 0 "[ ]" 1
908 1 52 SER H 1 53 LEU H . . 3.800 2.591 2.591 2.591 . 0 0 "[ ]" 1
909 1 52 SER H 1 53 LEU MD1 . . 7.000 4.982 4.982 4.982 . 0 0 "[ ]" 1
910 1 52 SER H 1 53 LEU MD2 . . 7.000 4.683 4.683 4.683 . 0 0 "[ ]" 1
911 1 52 SER H 1 54 HIS H . . 5.800 3.734 3.734 3.734 . 0 0 "[ ]" 1
912 1 52 SER H 1 54 HIS HD2 . . 6.000 6.014 6.014 6.014 0.014 1 0 "[ ]" 1
913 1 52 SER HA 1 53 LEU H . . 3.600 2.878 2.878 2.878 . 0 0 "[ ]" 1
914 1 52 SER HA 1 53 LEU MD2 . . 5.900 5.070 5.070 5.070 . 0 0 "[ ]" 1
915 1 52 SER HA 1 54 HIS H . . 5.300 3.845 3.845 3.845 . 0 0 "[ ]" 1
916 1 52 SER HA 1 74 LEU MD2 . . 6.300 4.637 4.637 4.637 . 0 0 "[ ]" 1
917 1 52 SER HB2 1 53 LEU H . . 4.600 4.127 4.127 4.127 . 0 0 "[ ]" 1
918 1 52 SER HB2 1 53 LEU MD2 . . 7.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
919 1 52 SER HB2 1 74 LEU MD2 . . 7.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
920 1 52 SER HB3 1 53 LEU H . . 4.600 4.472 4.472 4.472 . 0 0 "[ ]" 1
921 1 52 SER HB3 1 54 HIS H . . 6.000 5.843 5.843 5.843 . 0 0 "[ ]" 1
922 1 52 SER HB3 1 74 LEU MD1 . . 6.500 4.302 4.302 4.302 . 0 0 "[ ]" 1
923 1 52 SER HB3 1 74 LEU MD2 . . 6.200 3.390 3.390 3.390 . 0 0 "[ ]" 1
924 1 53 LEU H 1 53 LEU HB2 . . 4.100 3.892 3.892 3.892 . 0 0 "[ ]" 1
925 1 53 LEU H 1 53 LEU MD1 . . 5.300 3.267 3.267 3.267 . 0 0 "[ ]" 1
926 1 53 LEU H 1 53 LEU MD2 . . 5.400 3.602 3.602 3.602 . 0 0 "[ ]" 1
927 1 53 LEU H 1 53 LEU HG . . 4.900 2.137 2.137 2.137 . 0 0 "[ ]" 1
928 1 53 LEU H 1 54 HIS H . . 3.800 1.939 1.939 1.939 . 0 0 "[ ]" 1
929 1 53 LEU H 1 55 VAL MG2 . . 6.500 4.706 4.706 4.706 . 0 0 "[ ]" 1
930 1 53 LEU HA 1 53 LEU MD1 . . 4.000 3.642 3.642 3.642 . 0 0 "[ ]" 1
931 1 53 LEU HA 1 54 HIS H . . 4.100 3.236 3.236 3.236 . 0 0 "[ ]" 1
932 1 53 LEU HA 1 73 ASP HA . . 3.600 3.125 3.125 3.125 . 0 0 "[ ]" 1
933 1 53 LEU HA 1 74 LEU MD1 . . 7.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
934 1 53 LEU HA 1 74 LEU MD2 . . 7.000 4.532 4.532 4.532 . 0 0 "[ ]" 1
935 1 53 LEU HA 1 74 LEU HG . . 6.000 3.169 3.169 3.169 . 0 0 "[ ]" 1
936 1 53 LEU HB2 1 54 HIS H . . 4.500 4.491 4.491 4.491 . 0 0 "[ ]" 1
937 1 53 LEU HB2 1 73 ASP HA . . 6.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
938 1 53 LEU HB3 1 54 HIS H . . 4.700 4.587 4.587 4.587 . 0 0 "[ ]" 1
939 1 53 LEU HB3 1 73 ASP H . . 6.000 6.252 6.252 6.252 0.252 1 0 "[ ]" 1
940 1 53 LEU HB3 1 73 ASP HA . . 6.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
941 1 53 LEU HB3 1 74 LEU H . . 6.000 5.015 5.015 5.015 . 0 0 "[ ]" 1
942 1 53 LEU MD1 1 54 HIS H . . 7.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
943 1 53 LEU MD1 1 73 ASP HA . . 6.700 4.466 4.466 4.466 . 0 0 "[ ]" 1
944 1 53 LEU MD1 1 74 LEU H . . 5.900 6.208 6.208 6.208 0.308 1 0 "[ ]" 1
945 1 53 LEU MD2 1 54 HIS H . . 7.000 4.928 4.928 4.928 . 0 0 "[ ]" 1
946 1 53 LEU HG 1 54 HIS H . . 6.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
947 1 54 HIS H 1 54 HIS HB2 . . 3.500 2.698 2.698 2.698 . 0 0 "[ ]" 1
948 1 54 HIS H 1 54 HIS HB3 . . 3.700 3.743 3.743 3.743 0.043 1 0 "[ ]" 1
949 1 54 HIS H 1 55 VAL H . . 5.600 4.028 4.028 4.028 . 0 0 "[ ]" 1
950 1 54 HIS HA 1 55 VAL H . . 3.300 2.148 2.148 2.148 . 0 0 "[ ]" 1
951 1 54 HIS HA 1 72 ASP HA . . 3.200 2.320 2.320 2.320 . 0 0 "[ ]" 1
952 1 54 HIS HA 1 72 ASP HB2 . . 6.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
953 1 54 HIS HA 1 72 ASP HB3 . . 6.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
954 1 54 HIS HA 1 73 ASP H . . 5.200 3.701 3.701 3.701 . 0 0 "[ ]" 1
955 1 54 HIS HB2 1 55 VAL H . . 5.800 4.296 4.296 4.296 . 0 0 "[ ]" 1
956 1 54 HIS HB2 1 72 ASP HB2 . . 6.000 6.428 6.428 6.428 0.428 1 0 "[ ]" 1
957 1 54 HIS HB3 1 55 VAL H . . 4.800 3.357 3.357 3.357 . 0 0 "[ ]" 1
958 1 54 HIS HB3 1 72 ASP HB2 . . 6.000 5.737 5.737 5.737 . 0 0 "[ ]" 1
959 1 54 HIS HD2 1 72 ASP HB2 . . 6.000 6.391 6.391 6.391 0.391 1 0 "[ ]" 1
960 1 55 VAL H 1 55 VAL MG1 . . 4.600 3.648 3.648 3.648 . 0 0 "[ ]" 1
961 1 55 VAL H 1 55 VAL MG2 . . 4.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
962 1 55 VAL H 1 56 GLN H . . 5.200 4.323 4.323 4.323 . 0 0 "[ ]" 1
963 1 55 VAL H 1 71 TYR H . . 3.400 3.142 3.142 3.142 . 0 0 "[ ]" 1
964 1 55 VAL H 1 72 ASP HA . . 3.400 3.424 3.424 3.424 0.024 1 0 "[ ]" 1
965 1 55 VAL H 1 72 ASP HB2 . . 6.000 5.748 5.748 5.748 . 0 0 "[ ]" 1
966 1 55 VAL H 1 73 ASP H . . 6.000 4.079 4.079 4.079 . 0 0 "[ ]" 1
967 1 55 VAL HA 1 56 GLN H . . 3.000 2.266 2.266 2.266 . 0 0 "[ ]" 1
968 1 55 VAL HB 1 56 GLN H . . 3.800 3.308 3.308 3.308 . 0 0 "[ ]" 1
969 1 55 VAL MG1 1 56 GLN H . . 5.400 3.363 3.363 3.363 . 0 0 "[ ]" 1
970 1 55 VAL MG1 1 57 PHE CZ . . 9.000 7.608 7.608 7.608 . 0 0 "[ ]" 1
971 1 55 VAL MG1 1 71 TYR CG . . 9.000 5.699 5.699 5.699 . 0 0 "[ ]" 1
972 1 55 VAL MG1 1 71 TYR H . . 7.000 5.565 5.565 5.565 . 0 0 "[ ]" 1
973 1 55 VAL MG1 1 71 TYR HB2 . . 6.700 5.842 5.842 5.842 . 0 0 "[ ]" 1
974 1 55 VAL MG1 1 71 TYR HB3 . . 7.000 4.530 4.530 4.530 . 0 0 "[ ]" 1
975 1 55 VAL MG1 1 74 LEU HA . . 7.000 4.020 4.020 4.020 . 0 0 "[ ]" 1
976 1 55 VAL MG1 1 74 LEU MD1 . . 7.300 5.706 5.706 5.706 . 0 0 "[ ]" 1
977 1 55 VAL MG1 1 74 LEU MD2 . . 6.500 5.167 5.167 5.167 . 0 0 "[ ]" 1
978 1 55 VAL MG1 1 75 LEU H . . 7.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
979 1 55 VAL MG1 1 75 LEU HB2 . . 6.700 3.821 3.821 3.821 . 0 0 "[ ]" 1
980 1 55 VAL MG1 1 75 LEU MD1 . . 7.200 2.244 2.244 2.244 . 0 0 "[ ]" 1
981 1 55 VAL MG1 1 75 LEU MD2 . . 7.600 4.544 4.544 4.544 . 0 0 "[ ]" 1
982 1 55 VAL MG1 1 75 LEU HG . . 6.400 3.765 3.765 3.765 . 0 0 "[ ]" 1
983 1 55 VAL MG2 1 56 GLN H . . 6.900 4.422 4.422 4.422 . 0 0 "[ ]" 1
984 1 55 VAL MG2 1 57 PHE CG . . 9.000 6.578 6.578 6.578 . 0 0 "[ ]" 1
985 1 55 VAL MG2 1 57 PHE CZ . . 9.000 6.729 6.729 6.729 . 0 0 "[ ]" 1
986 1 55 VAL MG2 1 71 TYR CG . . 9.000 3.267 3.267 3.267 . 0 0 "[ ]" 1
987 1 55 VAL MG2 1 71 TYR H . . 5.900 3.707 3.707 3.707 . 0 0 "[ ]" 1
988 1 55 VAL MG2 1 71 TYR HB2 . . 6.700 3.745 3.745 3.745 . 0 0 "[ ]" 1
989 1 55 VAL MG2 1 71 TYR HB3 . . 7.000 2.163 2.163 2.163 . 0 0 "[ ]" 1
990 1 55 VAL MG2 1 73 ASP H . . 7.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
991 1 55 VAL MG2 1 74 LEU HG . . 6.400 4.497 4.497 4.497 . 0 0 "[ ]" 1
992 1 55 VAL MG2 1 75 LEU HB2 . . 5.600 3.626 3.626 3.626 . 0 0 "[ ]" 1
993 1 55 VAL MG2 1 75 LEU MD1 . . 7.300 2.352 2.352 2.352 . 0 0 "[ ]" 1
994 1 55 VAL MG2 1 75 LEU MD2 . . 7.500 3.484 3.484 3.484 . 0 0 "[ ]" 1
995 1 56 GLN H 1 56 GLN HB2 . . 4.200 3.894 3.894 3.894 . 0 0 "[ ]" 1
996 1 56 GLN H 1 56 GLN HB3 . . 4.200 3.423 3.423 3.423 . 0 0 "[ ]" 1
997 1 56 GLN H 1 56 GLN HE21 . . 6.000 4.864 4.864 4.864 . 0 0 "[ ]" 1
998 1 56 GLN H 1 56 GLN HE22 . . 6.000 6.083 6.083 6.083 0.083 1 0 "[ ]" 1
999 1 56 GLN H 1 56 GLN HG3 . . 5.100 2.773 2.773 2.773 . 0 0 "[ ]" 1
1000 1 56 GLN H 1 57 PHE H . . 6.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
1001 1 56 GLN HA 1 56 GLN HG2 . . 3.700 3.785 3.785 3.785 0.085 1 0 "[ ]" 1
1002 1 56 GLN HA 1 56 GLN HG3 . . 3.900 3.658 3.658 3.658 . 0 0 "[ ]" 1
1003 1 56 GLN HA 1 57 PHE CG . . 8.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
1004 1 56 GLN HA 1 57 PHE H . . 3.100 2.282 2.282 2.282 . 0 0 "[ ]" 1
1005 1 56 GLN HA 1 70 THR HA . . 3.100 2.491 2.491 2.491 . 0 0 "[ ]" 1
1006 1 56 GLN HA 1 70 THR HB . . 6.000 4.959 4.959 4.959 . 0 0 "[ ]" 1
1007 1 56 GLN HA 1 70 THR MG . . 5.200 3.841 3.841 3.841 . 0 0 "[ ]" 1
1008 1 56 GLN HA 1 71 TYR H . . 3.300 3.199 3.199 3.199 . 0 0 "[ ]" 1
1009 1 56 GLN HB2 1 56 GLN HE22 . . 5.100 4.255 4.255 4.255 . 0 0 "[ ]" 1
1010 1 56 GLN HB2 1 57 PHE H . . 4.400 2.635 2.635 2.635 . 0 0 "[ ]" 1
1011 1 56 GLN HB2 1 68 LEU MD1 . . 7.000 5.260 5.260 5.260 . 0 0 "[ ]" 1
1012 1 56 GLN HB2 1 70 THR HA . . 6.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
1013 1 56 GLN HB2 1 70 THR MG . . 5.800 2.687 2.687 2.687 . 0 0 "[ ]" 1
1014 1 56 GLN HB2 1 71 TYR H . . 6.000 4.578 4.578 4.578 . 0 0 "[ ]" 1
1015 1 56 GLN HB3 1 56 GLN HG2 . . 3.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
1016 1 56 GLN HB3 1 57 PHE H . . 4.900 3.832 3.832 3.832 . 0 0 "[ ]" 1
1017 1 56 GLN HB3 1 70 THR HA . . 6.000 2.379 2.379 2.379 . 0 0 "[ ]" 1
1018 1 56 GLN HB3 1 71 TYR H . . 6.000 3.330 3.330 3.330 . 0 0 "[ ]" 1
1019 1 56 GLN HE21 1 56 GLN HG2 . . 3.500 3.176 3.176 3.176 . 0 0 "[ ]" 1
1020 1 56 GLN HE21 1 68 LEU MD1 . . 5.600 5.002 5.002 5.002 . 0 0 "[ ]" 1
1021 1 56 GLN HE21 1 68 LEU MD2 . . 5.800 3.591 3.591 3.591 . 0 0 "[ ]" 1
1022 1 56 GLN HE22 1 56 GLN HG2 . . 4.100 3.894 3.894 3.894 . 0 0 "[ ]" 1
1023 1 56 GLN HE22 1 68 LEU MD1 . . 5.700 4.503 4.503 4.503 . 0 0 "[ ]" 1
1024 1 56 GLN HE22 1 68 LEU MD2 . . 6.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
1025 1 56 GLN HG2 1 57 PHE H . . 6.000 4.982 4.982 4.982 . 0 0 "[ ]" 1
1026 1 56 GLN HG2 1 70 THR MG . . 6.000 4.101 4.101 4.101 . 0 0 "[ ]" 1
1027 1 56 GLN HG3 1 57 PHE H . . 5.800 4.014 4.014 4.014 . 0 0 "[ ]" 1
1028 1 56 GLN HG3 1 70 THR MG . . 6.100 4.482 4.482 4.482 . 0 0 "[ ]" 1
1029 1 57 PHE CG 1 58 ALA H . . 8.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
1030 1 57 PHE CG 1 59 VAL MG1 . . 8.000 6.290 6.290 6.290 . 0 0 "[ ]" 1
1031 1 57 PHE CG 1 59 VAL MG2 . . 9.000 3.914 3.914 3.914 . 0 0 "[ ]" 1
1032 1 57 PHE CG 1 69 VAL MG1 . . 9.000 4.169 4.169 4.169 . 0 0 "[ ]" 1
1033 1 57 PHE CG 1 69 VAL MG2 . . 9.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
1034 1 57 PHE CG 1 75 LEU MD1 . . 9.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
1035 1 57 PHE CG 1 75 LEU MD2 . . 9.000 4.798 4.798 4.798 . 0 0 "[ ]" 1
1036 1 57 PHE CG 1 79 PHE CZ . . 10.000 3.229 3.229 3.229 . 0 0 "[ ]" 1
1037 1 57 PHE CZ 1 57 PHE H . . 7.000 4.941 4.941 4.941 . 0 0 "[ ]" 1
1038 1 57 PHE CZ 1 59 VAL MG1 . . 8.000 5.704 5.704 5.704 . 0 0 "[ ]" 1
1039 1 57 PHE CZ 1 59 VAL MG2 . . 9.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
1040 1 57 PHE CZ 1 69 VAL HB . . 8.000 3.121 3.121 3.121 . 0 0 "[ ]" 1
1041 1 57 PHE CZ 1 69 VAL MG1 . . 9.000 2.729 2.729 2.729 . 0 0 "[ ]" 1
1042 1 57 PHE CZ 1 69 VAL MG2 . . 9.000 3.639 3.639 3.639 . 0 0 "[ ]" 1
1043 1 57 PHE CZ 1 71 TYR CG . . 10.000 5.873 5.873 5.873 . 0 0 "[ ]" 1
1044 1 57 PHE CZ 1 71 TYR CZ . . 10.000 7.173 7.173 7.173 . 0 0 "[ ]" 1
1045 1 57 PHE CZ 1 75 LEU MD2 . . 8.700 3.935 3.935 3.935 . 0 0 "[ ]" 1
1046 1 57 PHE CZ 1 79 PHE CG . . 9.100 5.214 5.214 5.214 . 0 0 "[ ]" 1
1047 1 57 PHE CZ 1 79 PHE CZ . . 10.000 4.081 4.081 4.081 . 0 0 "[ ]" 1
1048 1 57 PHE CZ 1 85 ILE HB . . 8.000 6.514 6.514 6.514 . 0 0 "[ ]" 1
1049 1 57 PHE CZ 1 85 ILE MD . . 8.800 3.078 3.078 3.078 . 0 0 "[ ]" 1
1050 1 57 PHE CZ 1 85 ILE HG12 . . 8.000 5.115 5.115 5.115 . 0 0 "[ ]" 1
1051 1 57 PHE CZ 1 85 ILE MG . . 9.000 5.986 5.986 5.986 . 0 0 "[ ]" 1
1052 1 57 PHE CZ 1 102 VAL MG2 . . 9.000 5.138 5.138 5.138 . 0 0 "[ ]" 1
1053 1 57 PHE H 1 57 PHE HZ . . 6.000 5.863 5.863 5.863 . 0 0 "[ ]" 1
1054 1 57 PHE H 1 58 ALA H . . 4.800 4.391 4.391 4.391 . 0 0 "[ ]" 1
1055 1 57 PHE H 1 68 LEU MD2 . . 5.100 3.244 3.244 3.244 . 0 0 "[ ]" 1
1056 1 57 PHE H 1 69 VAL H . . 3.200 3.079 3.079 3.079 . 0 0 "[ ]" 1
1057 1 57 PHE H 1 69 VAL HB . . 6.000 3.316 3.316 3.316 . 0 0 "[ ]" 1
1058 1 57 PHE H 1 69 VAL MG1 . . 6.700 4.178 4.178 4.178 . 0 0 "[ ]" 1
1059 1 57 PHE H 1 69 VAL MG2 . . 6.500 4.606 4.606 4.606 . 0 0 "[ ]" 1
1060 1 57 PHE H 1 70 THR HA . . 3.600 3.656 3.656 3.656 0.056 1 0 "[ ]" 1
1061 1 57 PHE HA 1 58 ALA H . . 3.500 2.297 2.297 2.297 . 0 0 "[ ]" 1
1062 1 57 PHE HB2 1 58 ALA H . . 3.800 2.631 2.631 2.631 . 0 0 "[ ]" 1
1063 1 57 PHE HB3 1 58 ALA H . . 4.100 3.847 3.847 3.847 . 0 0 "[ ]" 1
1064 1 57 PHE HB3 1 71 TYR CG . . 8.000 7.755 7.755 7.755 . 0 0 "[ ]" 1
1065 1 57 PHE HZ 1 59 VAL MG1 . . 6.300 5.720 5.720 5.720 . 0 0 "[ ]" 1
1066 1 57 PHE HZ 1 75 LEU MD1 . . 7.000 5.274 5.274 5.274 . 0 0 "[ ]" 1
1067 1 57 PHE HZ 1 75 LEU MD2 . . 7.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
1068 1 57 PHE HZ 1 79 PHE CG . . 6.800 5.730 5.730 5.730 . 0 0 "[ ]" 1
1069 1 57 PHE HZ 1 79 PHE CZ . . 8.000 4.815 4.815 4.815 . 0 0 "[ ]" 1
1070 1 57 PHE HZ 1 85 ILE HB . . 6.000 6.004 6.004 6.004 0.004 1 0 "[ ]" 1
1071 1 57 PHE HZ 1 85 ILE MD . . 6.700 2.714 2.714 2.714 . 0 0 "[ ]" 1
1072 1 57 PHE HZ 1 85 ILE HG12 . . 6.000 5.069 5.069 5.069 . 0 0 "[ ]" 1
1073 1 57 PHE HZ 1 102 VAL MG1 . . 7.000 2.590 2.590 2.590 . 0 0 "[ ]" 1
1074 1 57 PHE HZ 1 102 VAL MG2 . . 7.000 4.652 4.652 4.652 . 0 0 "[ ]" 1
1075 1 58 ALA H 1 58 ALA MB . . 3.500 2.407 2.407 2.407 . 0 0 "[ ]" 1
1076 1 58 ALA HA 1 59 VAL H . . 3.400 2.175 2.175 2.175 . 0 0 "[ ]" 1
1077 1 58 ALA HA 1 67 ILE MG . . 6.500 4.337 4.337 4.337 . 0 0 "[ ]" 1
1078 1 58 ALA HA 1 68 LEU HA . . 3.100 2.373 2.373 2.373 . 0 0 "[ ]" 1
1079 1 58 ALA HA 1 68 LEU MD1 . . 7.000 4.838 4.838 4.838 . 0 0 "[ ]" 1
1080 1 58 ALA HA 1 68 LEU MD2 . . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 1
1081 1 58 ALA HA 1 69 VAL H . . 3.200 3.201 3.201 3.201 0.001 1 0 "[ ]" 1
1082 1 58 ALA MB 1 59 VAL H . . 4.000 3.025 3.025 3.025 . 0 0 "[ ]" 1
1083 1 58 ALA MB 1 66 GLU HG2 . . 6.200 2.334 2.334 2.334 . 0 0 "[ ]" 1
1084 1 58 ALA MB 1 66 GLU HG3 . . 6.200 2.608 2.608 2.608 . 0 0 "[ ]" 1
1085 1 58 ALA MB 1 67 ILE H . . 7.000 4.287 4.287 4.287 . 0 0 "[ ]" 1
1086 1 58 ALA MB 1 68 LEU H . . 6.300 5.238 5.238 5.238 . 0 0 "[ ]" 1
1087 1 58 ALA MB 1 68 LEU HA . . 6.200 3.495 3.495 3.495 . 0 0 "[ ]" 1
1088 1 58 ALA MB 1 68 LEU MD1 . . 6.200 3.952 3.952 3.952 . 0 0 "[ ]" 1
1089 1 58 ALA MB 1 68 LEU MD2 . . 6.800 3.438 3.438 3.438 . 0 0 "[ ]" 1
1090 1 58 ALA MB 1 68 LEU HG . . 4.400 2.994 2.994 2.994 . 0 0 "[ ]" 1
1091 1 58 ALA MB 1 69 VAL H . . 6.200 4.538 4.538 4.538 . 0 0 "[ ]" 1
1092 1 59 VAL H 1 59 VAL HB . . 3.900 2.615 2.615 2.615 . 0 0 "[ ]" 1
1093 1 59 VAL H 1 59 VAL MG1 . . 4.400 3.651 3.651 3.651 . 0 0 "[ ]" 1
1094 1 59 VAL H 1 60 HIS H . . 4.500 4.385 4.385 4.385 . 0 0 "[ ]" 1
1095 1 59 VAL H 1 60 HIS HD2 . . 6.000 5.519 5.519 5.519 . 0 0 "[ ]" 1
1096 1 59 VAL H 1 67 ILE H . . 3.200 3.072 3.072 3.072 . 0 0 "[ ]" 1
1097 1 59 VAL H 1 67 ILE MD . . 7.000 5.526 5.526 5.526 . 0 0 "[ ]" 1
1098 1 59 VAL H 1 67 ILE MG . . 6.000 3.083 3.083 3.083 . 0 0 "[ ]" 1
1099 1 59 VAL H 1 68 LEU HA . . 3.400 3.497 3.497 3.497 0.097 1 0 "[ ]" 1
1100 1 59 VAL H 1 68 LEU MD2 . . 5.700 5.158 5.158 5.158 . 0 0 "[ ]" 1
1101 1 59 VAL HA 1 60 HIS H . . 3.100 2.181 2.181 2.181 . 0 0 "[ ]" 1
1102 1 59 VAL HA 1 67 ILE MG . . 7.000 4.883 4.883 4.883 . 0 0 "[ ]" 1
1103 1 59 VAL HB 1 60 HIS H . . 5.200 4.392 4.392 4.392 . 0 0 "[ ]" 1
1104 1 59 VAL HB 1 67 ILE MG . . 6.000 2.933 2.933 2.933 . 0 0 "[ ]" 1
1105 1 59 VAL HB 1 69 VAL MG1 . . 7.000 4.842 4.842 4.842 . 0 0 "[ ]" 1
1106 1 59 VAL HB 1 69 VAL MG2 . . 7.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
1107 1 59 VAL MG1 1 60 HIS H . . 5.800 2.652 2.652 2.652 . 0 0 "[ ]" 1
1108 1 59 VAL MG1 1 67 ILE H . . 7.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
1109 1 59 VAL MG1 1 67 ILE MG . . 7.000 3.002 3.002 3.002 . 0 0 "[ ]" 1
1110 1 59 VAL MG1 1 69 VAL HB . . 5.700 5.536 5.536 5.536 . 0 0 "[ ]" 1
1111 1 59 VAL MG1 1 69 VAL MG1 . . 7.900 5.189 5.189 5.189 . 0 0 "[ ]" 1
1112 1 59 VAL MG1 1 69 VAL MG2 . . 6.500 3.521 3.521 3.521 . 0 0 "[ ]" 1
1113 1 59 VAL MG1 1 79 PHE CZ . . 9.000 5.959 5.959 5.959 . 0 0 "[ ]" 1
1114 1 59 VAL MG2 1 60 HIS H . . 5.100 3.457 3.457 3.457 . 0 0 "[ ]" 1
1115 1 59 VAL MG2 1 67 ILE HB . . 7.000 6.293 6.293 6.293 . 0 0 "[ ]" 1
1116 1 59 VAL MG2 1 67 ILE QG . . 8.000 6.910 6.910 6.910 . 0 0 "[ ]" 1
1117 1 59 VAL MG2 1 84 GLY HA3 . . 7.000 6.212 6.212 6.212 . 0 0 "[ ]" 1
1118 1 60 HIS H 1 60 HIS HD2 . . 6.000 2.396 2.396 2.396 . 0 0 "[ ]" 1
1119 1 60 HIS H 1 61 ASP H . . 4.500 4.328 4.328 4.328 . 0 0 "[ ]" 1
1120 1 60 HIS HA 1 61 ASP H . . 3.400 2.727 2.727 2.727 . 0 0 "[ ]" 1
1121 1 60 HIS HA 1 66 GLU HA . . 3.100 2.287 2.287 2.287 . 0 0 "[ ]" 1
1122 1 60 HIS HA 1 66 GLU QB . . 7.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
1123 1 60 HIS HA 1 66 GLU HG2 . . 6.000 5.110 5.110 5.110 . 0 0 "[ ]" 1
1124 1 60 HIS HA 1 66 GLU HG3 . . 6.000 3.772 3.772 3.772 . 0 0 "[ ]" 1
1125 1 60 HIS HA 1 67 ILE H . . 4.100 3.207 3.207 3.207 . 0 0 "[ ]" 1
1126 1 60 HIS HB2 1 60 HIS HD2 . . 4.100 3.926 3.926 3.926 . 0 0 "[ ]" 1
1127 1 60 HIS HB2 1 61 ASP H . . 4.000 2.103 2.103 2.103 . 0 0 "[ ]" 1
1128 1 60 HIS HB2 1 61 ASP HB3 . . 6.000 4.720 4.720 4.720 . 0 0 "[ ]" 1
1129 1 60 HIS HB2 1 66 GLU QB . . 7.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
1130 1 60 HIS HB2 1 66 GLU HG2 . . 6.000 5.197 5.197 5.197 . 0 0 "[ ]" 1
1131 1 60 HIS HB3 1 60 HIS HE1 . . 5.500 5.253 5.253 5.253 . 0 0 "[ ]" 1
1132 1 60 HIS HB3 1 61 ASP H . . 4.700 3.597 3.597 3.597 . 0 0 "[ ]" 1
1133 1 60 HIS HB3 1 66 GLU HA . . 6.000 2.456 2.456 2.456 . 0 0 "[ ]" 1
1134 1 60 HIS HB3 1 66 GLU QB . . 7.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
1135 1 60 HIS HB3 1 66 GLU HG3 . . 6.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
1136 1 60 HIS HD2 1 61 ASP HA . . 6.000 5.630 5.630 5.630 . 0 0 "[ ]" 1
1137 1 60 HIS HD2 1 66 GLU HA . . 6.000 5.192 5.192 5.192 . 0 0 "[ ]" 1
1138 1 61 ASP H 1 61 ASP HB2 . . 4.100 3.177 3.177 3.177 . 0 0 "[ ]" 1
1139 1 61 ASP H 1 63 LEU H . . 4.700 4.326 4.326 4.326 . 0 0 "[ ]" 1
1140 1 61 ASP H 1 63 LEU HA . . 6.000 6.072 6.072 6.072 0.072 1 0 "[ ]" 1
1141 1 61 ASP H 1 65 GLY H . . 4.300 3.139 3.139 3.139 . 0 0 "[ ]" 1
1142 1 61 ASP H 1 66 GLU HA . . 4.600 4.168 4.168 4.168 . 0 0 "[ ]" 1
1143 1 61 ASP H 1 66 GLU HG3 . . 6.000 5.677 5.677 5.677 . 0 0 "[ ]" 1
1144 1 61 ASP HA 1 63 LEU H . . 6.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
1145 1 61 ASP HB2 1 63 LEU H . . 6.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
1146 1 61 ASP HB3 1 63 LEU H . . 6.000 2.557 2.557 2.557 . 0 0 "[ ]" 1
1147 1 63 LEU H 1 63 LEU HB2 . . 3.500 2.421 2.421 2.421 . 0 0 "[ ]" 1
1148 1 63 LEU H 1 63 LEU HB3 . . 4.100 3.590 3.590 3.590 . 0 0 "[ ]" 1
1149 1 63 LEU H 1 63 LEU HG . . 4.400 2.249 2.249 2.249 . 0 0 "[ ]" 1
1150 1 63 LEU H 1 64 GLY H . . 3.700 2.885 2.885 2.885 . 0 0 "[ ]" 1
1151 1 63 LEU H 1 64 GLY HA3 . . 6.000 5.406 5.406 5.406 . 0 0 "[ ]" 1
1152 1 63 LEU H 1 65 GLY H . . 5.400 4.546 4.546 4.546 . 0 0 "[ ]" 1
1153 1 63 LEU H 1 65 GLY QA . . 6.000 6.138 6.138 6.138 0.138 1 0 "[ ]" 1
1154 1 63 LEU HA 1 63 LEU MD2 . . 4.200 2.192 2.192 2.192 . 0 0 "[ ]" 1
1155 1 63 LEU HA 1 64 GLY H . . 3.600 3.380 3.380 3.380 . 0 0 "[ ]" 1
1156 1 63 LEU HB2 1 64 GLY H . . 5.100 3.537 3.537 3.537 . 0 0 "[ ]" 1
1157 1 63 LEU HB2 1 65 GLY H . . 5.400 3.548 3.548 3.548 . 0 0 "[ ]" 1
1158 1 63 LEU HB3 1 64 GLY H . . 4.800 4.277 4.277 4.277 . 0 0 "[ ]" 1
1159 1 63 LEU HB3 1 65 GLY H . . 5.300 4.180 4.180 4.180 . 0 0 "[ ]" 1
1160 1 63 LEU HG 1 64 GLY H . . 6.000 4.784 4.784 4.784 . 0 0 "[ ]" 1
1161 1 64 GLY H 1 65 GLY H . . 3.500 2.787 2.787 2.787 . 0 0 "[ ]" 1
1162 1 64 GLY H 1 65 GLY QA . . 6.000 4.715 4.715 4.715 . 0 0 "[ ]" 1
1163 1 64 GLY HA2 1 65 GLY H . . 6.000 3.029 3.029 3.029 . 0 0 "[ ]" 1
1164 1 64 GLY HA3 1 65 GLY H . . 5.200 3.533 3.533 3.533 . 0 0 "[ ]" 1
1165 1 65 GLY H 1 66 GLU H . . 5.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
1166 1 65 GLY QA 1 66 GLU H . . 3.400 2.376 2.376 2.376 . 0 0 "[ ]" 1
1167 1 66 GLU H 1 67 ILE H . . 6.000 4.601 4.601 4.601 . 0 0 "[ ]" 1
1168 1 66 GLU HA 1 66 GLU HG2 . . 3.900 3.208 3.208 3.208 . 0 0 "[ ]" 1
1169 1 66 GLU HA 1 66 GLU HG3 . . 3.900 2.427 2.427 2.427 . 0 0 "[ ]" 1
1170 1 66 GLU HA 1 67 ILE H . . 3.200 2.178 2.178 2.178 . 0 0 "[ ]" 1
1171 1 66 GLU HA 1 67 ILE MG . . 7.000 4.703 4.703 4.703 . 0 0 "[ ]" 1
1172 1 66 GLU QB 1 67 ILE H . . 6.100 3.753 3.753 3.753 . 0 0 "[ ]" 1
1173 1 66 GLU HG2 1 67 ILE H . . 5.500 3.174 3.174 3.174 . 0 0 "[ ]" 1
1174 1 66 GLU HG3 1 67 ILE H . . 5.600 2.912 2.912 2.912 . 0 0 "[ ]" 1
1175 1 67 ILE H 1 67 ILE MD . . 5.600 4.415 4.415 4.415 . 0 0 "[ ]" 1
1176 1 67 ILE HA 1 67 ILE MD . . 4.100 2.093 2.093 2.093 . 0 0 "[ ]" 1
1177 1 67 ILE HA 1 68 LEU H . . 3.300 2.290 2.290 2.290 . 0 0 "[ ]" 1
1178 1 67 ILE HB 1 68 LEU H . . 4.400 4.247 4.247 4.247 . 0 0 "[ ]" 1
1179 1 67 ILE MD 1 68 LEU H . . 5.700 2.036 2.036 2.036 . 0 0 "[ ]" 1
1180 1 67 ILE MD 1 96 LYS HD2 . . 5.400 5.025 5.025 5.025 . 0 0 "[ ]" 1
1181 1 67 ILE MD 1 97 LEU H . . 5.900 3.885 3.885 3.885 . 0 0 "[ ]" 1
1182 1 67 ILE MD 1 97 LEU HB2 . . 6.400 5.007 5.007 5.007 . 0 0 "[ ]" 1
1183 1 67 ILE MD 1 97 LEU QD . . 5.800 2.921 2.921 2.921 . 0 0 "[ ]" 1
1184 1 67 ILE QG 1 68 LEU H . . 7.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
1185 1 67 ILE QG 1 96 LYS HD2 . . 7.000 7.361 7.361 7.361 0.361 1 0 "[ ]" 1
1186 1 67 ILE QG 1 97 LEU QD . . 8.000 2.912 2.912 2.912 . 0 0 "[ ]" 1
1187 1 67 ILE MG 1 68 LEU H . . 7.000 2.884 2.884 2.884 . 0 0 "[ ]" 1
1188 1 67 ILE MG 1 69 VAL MG1 . . 6.800 4.304 4.304 4.304 . 0 0 "[ ]" 1
1189 1 67 ILE MG 1 97 LEU QD . . 5.200 2.372 2.372 2.372 . 0 0 "[ ]" 1
1190 1 68 LEU H 1 68 LEU HB2 . . 3.500 2.255 2.255 2.255 . 0 0 "[ ]" 1
1191 1 68 LEU H 1 68 LEU HB3 . . 4.100 3.252 3.252 3.252 . 0 0 "[ ]" 1
1192 1 68 LEU H 1 68 LEU MD1 . . 5.400 4.021 4.021 4.021 . 0 0 "[ ]" 1
1193 1 68 LEU H 1 68 LEU MD2 . . 5.700 4.428 4.428 4.428 . 0 0 "[ ]" 1
1194 1 68 LEU H 1 68 LEU HG . . 4.800 3.976 3.976 3.976 . 0 0 "[ ]" 1
1195 1 68 LEU H 1 69 VAL H . . 5.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
1196 1 68 LEU H 1 96 LYS HD2 . . 5.200 4.733 4.733 4.733 . 0 0 "[ ]" 1
1197 1 68 LEU H 1 96 LYS QG . . 7.000 4.310 4.310 4.310 . 0 0 "[ ]" 1
1198 1 68 LEU H 1 97 LEU H . . 5.700 4.870 4.870 4.870 . 0 0 "[ ]" 1
1199 1 68 LEU H 1 97 LEU HG . . 6.000 4.633 4.633 4.633 . 0 0 "[ ]" 1
1200 1 68 LEU HA 1 68 LEU MD1 . . 4.800 3.729 3.729 3.729 . 0 0 "[ ]" 1
1201 1 68 LEU HA 1 69 VAL H . . 3.400 2.163 2.163 2.163 . 0 0 "[ ]" 1
1202 1 68 LEU HB2 1 69 VAL H . . 4.700 4.517 4.517 4.517 . 0 0 "[ ]" 1
1203 1 68 LEU HB2 1 70 THR MG . . 7.000 5.344 5.344 5.344 . 0 0 "[ ]" 1
1204 1 68 LEU HB2 1 96 LYS QB . . 5.300 5.313 5.313 5.313 0.013 1 0 "[ ]" 1
1205 1 68 LEU HB2 1 96 LYS HD3 . . 5.500 3.224 3.224 3.224 . 0 0 "[ ]" 1
1206 1 68 LEU HB2 1 96 LYS HE2 . . 6.000 4.953 4.953 4.953 . 0 0 "[ ]" 1
1207 1 68 LEU HB3 1 68 LEU HG . . 3.100 3.029 3.029 3.029 . 0 0 "[ ]" 1
1208 1 68 LEU HB3 1 69 VAL H . . 4.200 3.643 3.643 3.643 . 0 0 "[ ]" 1
1209 1 68 LEU HB3 1 96 LYS QB . . 5.400 4.292 4.292 4.292 . 0 0 "[ ]" 1
1210 1 68 LEU HB3 1 96 LYS QG . . 7.000 2.185 2.185 2.185 . 0 0 "[ ]" 1
1211 1 68 LEU MD1 1 69 VAL H . . 6.400 4.942 4.942 4.942 . 0 0 "[ ]" 1
1212 1 68 LEU MD1 1 96 LYS HE2 . . 7.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
1213 1 68 LEU MD1 1 96 LYS HE3 . . 7.000 5.190 5.190 5.190 . 0 0 "[ ]" 1
1214 1 68 LEU MD1 1 96 LYS QG . . 8.000 3.643 3.643 3.643 . 0 0 "[ ]" 1
1215 1 68 LEU MD2 1 69 VAL H . . 4.400 2.589 2.589 2.589 . 0 0 "[ ]" 1
1216 1 68 LEU MD2 1 96 LYS HE2 . . 7.000 5.500 5.500 5.500 . 0 0 "[ ]" 1
1217 1 68 LEU MD2 1 96 LYS HE3 . . 7.000 5.884 5.884 5.884 . 0 0 "[ ]" 1
1218 1 68 LEU MD2 1 96 LYS QG . . 7.600 3.144 3.144 3.144 . 0 0 "[ ]" 1
1219 1 68 LEU HG 1 69 VAL H . . 5.300 4.026 4.026 4.026 . 0 0 "[ ]" 1
1220 1 69 VAL H 1 69 VAL HB . . 4.000 2.548 2.548 2.548 . 0 0 "[ ]" 1
1221 1 69 VAL H 1 69 VAL MG2 . . 4.200 2.620 2.620 2.620 . 0 0 "[ ]" 1
1222 1 69 VAL H 1 70 THR H . . 5.100 4.428 4.428 4.428 . 0 0 "[ ]" 1
1223 1 69 VAL HA 1 70 THR H . . 3.300 2.216 2.216 2.216 . 0 0 "[ ]" 1
1224 1 69 VAL HA 1 70 THR MG . . 4.700 3.920 3.920 3.920 . 0 0 "[ ]" 1
1225 1 69 VAL HA 1 97 LEU H . . 3.800 2.573 2.573 2.573 . 0 0 "[ ]" 1
1226 1 69 VAL HA 1 97 LEU HB2 . . 6.000 2.584 2.584 2.584 . 0 0 "[ ]" 1
1227 1 69 VAL HA 1 97 LEU HB3 . . 6.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
1228 1 69 VAL HB 1 70 THR H . . 5.300 4.044 4.044 4.044 . 0 0 "[ ]" 1
1229 1 69 VAL HB 1 99 ALA MB . . 6.900 4.288 4.288 4.288 . 0 0 "[ ]" 1
1230 1 69 VAL MG1 1 70 THR H . . 4.900 2.529 2.529 2.529 . 0 0 "[ ]" 1
1231 1 69 VAL MG1 1 70 THR HA . . 7.000 3.868 3.868 3.868 . 0 0 "[ ]" 1
1232 1 69 VAL MG1 1 79 PHE CG . . 9.000 7.104 7.104 7.104 . 0 0 "[ ]" 1
1233 1 69 VAL MG1 1 87 ALA MB . . 5.900 2.646 2.646 2.646 . 0 0 "[ ]" 1
1234 1 69 VAL MG1 1 96 LYS QG . . 8.000 5.337 5.337 5.337 . 0 0 "[ ]" 1
1235 1 69 VAL MG1 1 97 LEU H . . 6.400 3.999 3.999 3.999 . 0 0 "[ ]" 1
1236 1 69 VAL MG1 1 97 LEU HB2 . . 5.500 2.270 2.270 2.270 . 0 0 "[ ]" 1
1237 1 69 VAL MG1 1 97 LEU HB3 . . 4.400 3.479 3.479 3.479 . 0 0 "[ ]" 1
1238 1 69 VAL MG1 1 97 LEU QD . . 6.600 3.158 3.158 3.158 . 0 0 "[ ]" 1
1239 1 69 VAL MG1 1 99 ALA H . . 5.100 2.952 2.952 2.952 . 0 0 "[ ]" 1
1240 1 69 VAL MG1 1 99 ALA MB . . 7.400 1.975 1.975 1.975 . 0 0 "[ ]" 1
1241 1 69 VAL MG2 1 70 THR H . . 5.400 4.094 4.094 4.094 . 0 0 "[ ]" 1
1242 1 69 VAL MG2 1 87 ALA MB . . 6.100 3.187 3.187 3.187 . 0 0 "[ ]" 1
1243 1 69 VAL MG2 1 96 LYS QG . . 8.000 5.091 5.091 5.091 . 0 0 "[ ]" 1
1244 1 69 VAL MG2 1 97 LEU H . . 6.600 3.764 3.764 3.764 . 0 0 "[ ]" 1
1245 1 69 VAL MG2 1 97 LEU HB2 . . 5.500 2.617 2.617 2.617 . 0 0 "[ ]" 1
1246 1 69 VAL MG2 1 99 ALA H . . 7.000 5.281 5.281 5.281 . 0 0 "[ ]" 1
1247 1 69 VAL MG2 1 99 ALA MB . . 8.000 3.653 3.653 3.653 . 0 0 "[ ]" 1
1248 1 70 THR H 1 70 THR MG . . 4.300 3.095 3.095 3.095 . 0 0 "[ ]" 1
1249 1 70 THR H 1 71 TYR H . . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
1250 1 70 THR H 1 96 LYS QG . . 7.000 4.233 4.233 4.233 . 0 0 "[ ]" 1
1251 1 70 THR H 1 97 LEU H . . 3.500 3.537 3.537 3.537 0.037 1 0 "[ ]" 1
1252 1 70 THR H 1 98 ALA HA . . 3.100 3.206 3.206 3.206 0.106 1 0 "[ ]" 1
1253 1 70 THR H 1 99 ALA H . . 3.400 3.172 3.172 3.172 . 0 0 "[ ]" 1
1254 1 70 THR HA 1 70 THR MG . . 3.500 2.305 2.305 2.305 . 0 0 "[ ]" 1
1255 1 70 THR HA 1 71 TYR H . . 3.300 2.293 2.293 2.293 . 0 0 "[ ]" 1
1256 1 70 THR HB 1 71 TYR H . . 4.300 3.090 3.090 3.090 . 0 0 "[ ]" 1
1257 1 70 THR HB 1 98 ALA HA . . 6.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
1258 1 70 THR HB 1 98 ALA MB . . 7.000 4.432 4.432 4.432 . 0 0 "[ ]" 1
1259 1 70 THR MG 1 71 TYR H . . 5.500 3.732 3.732 3.732 . 0 0 "[ ]" 1
1260 1 70 THR MG 1 96 LYS QB . . 7.000 2.907 2.907 2.907 . 0 0 "[ ]" 1
1261 1 70 THR MG 1 98 ALA HA . . 7.000 4.551 4.551 4.551 . 0 0 "[ ]" 1
1262 1 71 TYR CG 1 72 ASP H . . 8.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
1263 1 71 TYR CG 1 73 ASP H . . 8.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
1264 1 71 TYR CG 1 75 LEU MD2 . . 8.500 2.869 2.869 2.869 . 0 0 "[ ]" 1
1265 1 71 TYR CG 1 99 ALA MB . . 8.400 4.337 4.337 4.337 . 0 0 "[ ]" 1
1266 1 71 TYR CG 1 100 THR HG1 . . 8.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
1267 1 71 TYR CG 1 102 VAL MG2 . . 9.000 4.660 4.660 4.660 . 0 0 "[ ]" 1
1268 1 71 TYR CZ 1 73 ASP H . . 8.000 4.942 4.942 4.942 . 0 0 "[ ]" 1
1269 1 71 TYR CZ 1 73 ASP HB2 . . 8.000 5.617 5.617 5.617 . 0 0 "[ ]" 1
1270 1 71 TYR CZ 1 73 ASP HB3 . . 8.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
1271 1 71 TYR CZ 1 75 LEU HA . . 8.000 3.047 3.047 3.047 . 0 0 "[ ]" 1
1272 1 71 TYR CZ 1 75 LEU MD1 . . 9.000 4.951 4.951 4.951 . 0 0 "[ ]" 1
1273 1 71 TYR CZ 1 75 LEU MD2 . . 9.000 2.753 2.753 2.753 . 0 0 "[ ]" 1
1274 1 71 TYR CZ 1 100 THR HA . . 8.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
1275 1 71 TYR CZ 1 100 THR HG1 . . 6.800 3.352 3.352 3.352 . 0 0 "[ ]" 1
1276 1 71 TYR CZ 1 101 GLU H . . 8.000 5.910 5.910 5.910 . 0 0 "[ ]" 1
1277 1 71 TYR CZ 1 102 VAL H . . 8.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
1278 1 71 TYR CZ 1 102 VAL MG2 . . 8.600 3.166 3.166 3.166 . 0 0 "[ ]" 1
1279 1 71 TYR H 1 71 TYR HB2 . . 3.800 2.982 2.982 2.982 . 0 0 "[ ]" 1
1280 1 71 TYR H 1 72 ASP H . . 5.500 4.258 4.258 4.258 . 0 0 "[ ]" 1
1281 1 71 TYR HA 1 72 ASP H . . 3.100 2.265 2.265 2.265 . 0 0 "[ ]" 1
1282 1 71 TYR HA 1 99 ALA H . . 4.300 3.378 3.378 3.378 . 0 0 "[ ]" 1
1283 1 71 TYR HB2 1 72 ASP H . . 5.700 4.529 4.529 4.529 . 0 0 "[ ]" 1
1284 1 71 TYR HB3 1 72 ASP H . . 4.900 4.306 4.306 4.306 . 0 0 "[ ]" 1
1285 1 71 TYR HB3 1 75 LEU MD1 . . 7.000 3.307 3.307 3.307 . 0 0 "[ ]" 1
1286 1 71 TYR HB3 1 75 LEU MD2 . . 7.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
1287 1 71 TYR HB3 1 102 VAL MG2 . . 7.000 5.907 5.907 5.907 . 0 0 "[ ]" 1
1288 1 71 TYR HH 1 73 ASP HB2 . . 6.000 6.316 6.316 6.316 0.316 1 0 "[ ]" 1
1289 1 71 TYR HH 1 75 LEU HA . . 6.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
1290 1 71 TYR HH 1 75 LEU MD2 . . 7.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
1291 1 71 TYR HH 1 100 THR HA . . 6.000 3.040 3.040 3.040 . 0 0 "[ ]" 1
1292 1 71 TYR HH 1 100 THR HG1 . . 5.700 3.204 3.204 3.204 . 0 0 "[ ]" 1
1293 1 71 TYR HH 1 101 GLU HA . . 6.000 3.996 3.996 3.996 . 0 0 "[ ]" 1
1294 1 71 TYR HH 1 102 VAL H . . 6.000 2.922 2.922 2.922 . 0 0 "[ ]" 1
1295 1 71 TYR HH 1 102 VAL HB . . 6.000 5.571 5.571 5.571 . 0 0 "[ ]" 1
1296 1 71 TYR HH 1 102 VAL MG2 . . 7.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
1297 1 72 ASP H 1 72 ASP HB2 . . 3.700 3.614 3.614 3.614 . 0 0 "[ ]" 1
1298 1 72 ASP H 1 72 ASP HB3 . . 3.600 2.899 2.899 2.899 . 0 0 "[ ]" 1
1299 1 72 ASP H 1 73 ASP H . . 3.800 3.200 3.200 3.200 . 0 0 "[ ]" 1
1300 1 72 ASP H 1 73 ASP HB3 . . 6.000 4.814 4.814 4.814 . 0 0 "[ ]" 1
1301 1 72 ASP HA 1 73 ASP H . . 3.800 2.672 2.672 2.672 . 0 0 "[ ]" 1
1302 1 72 ASP HB2 1 73 ASP H . . 5.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
1303 1 72 ASP HB3 1 73 ASP H . . 5.900 4.660 4.660 4.660 . 0 0 "[ ]" 1
1304 1 73 ASP H 1 73 ASP HB2 . . 4.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
1305 1 73 ASP H 1 73 ASP HB3 . . 4.000 3.234 3.234 3.234 . 0 0 "[ ]" 1
1306 1 73 ASP H 1 74 LEU H . . 5.900 4.250 4.250 4.250 . 0 0 "[ ]" 1
1307 1 73 ASP HA 1 74 LEU H . . 3.300 2.654 2.654 2.654 . 0 0 "[ ]" 1
1308 1 73 ASP HA 1 74 LEU HB2 . . 6.000 5.104 5.104 5.104 . 0 0 "[ ]" 1
1309 1 73 ASP HA 1 74 LEU HB3 . . 6.000 6.028 6.028 6.028 0.028 1 0 "[ ]" 1
1310 1 73 ASP HA 1 74 LEU MD2 . . 7.000 5.838 5.838 5.838 . 0 0 "[ ]" 1
1311 1 73 ASP HB2 1 74 LEU H . . 4.500 3.816 3.816 3.816 . 0 0 "[ ]" 1
1312 1 73 ASP HB2 1 74 LEU MD1 . . 7.000 5.034 5.034 5.034 . 0 0 "[ ]" 1
1313 1 73 ASP HB2 1 100 THR HG1 . . 6.000 4.245 4.245 4.245 . 0 0 "[ ]" 1
1314 1 73 ASP HB3 1 74 LEU H . . 4.800 3.161 3.161 3.161 . 0 0 "[ ]" 1
1315 1 74 LEU H 1 74 LEU HB2 . . 3.400 2.489 2.489 2.489 . 0 0 "[ ]" 1
1316 1 74 LEU H 1 74 LEU HB3 . . 4.000 3.650 3.650 3.650 . 0 0 "[ ]" 1
1317 1 74 LEU H 1 74 LEU MD1 . . 5.700 2.109 2.109 2.109 . 0 0 "[ ]" 1
1318 1 74 LEU H 1 74 LEU MD2 . . 5.400 4.203 4.203 4.203 . 0 0 "[ ]" 1
1319 1 74 LEU H 1 74 LEU HG . . 4.300 3.349 3.349 3.349 . 0 0 "[ ]" 1
1320 1 74 LEU H 1 75 LEU H . . 4.700 4.505 4.505 4.505 . 0 0 "[ ]" 1
1321 1 74 LEU HA 1 74 LEU MD1 . . 4.400 3.360 3.360 3.360 . 0 0 "[ ]" 1
1322 1 74 LEU HA 1 74 LEU MD2 . . 4.500 3.405 3.405 3.405 . 0 0 "[ ]" 1
1323 1 74 LEU HA 1 74 LEU HG . . 4.200 2.282 2.282 2.282 . 0 0 "[ ]" 1
1324 1 74 LEU HA 1 75 LEU H . . 3.300 2.111 2.111 2.111 . 0 0 "[ ]" 1
1325 1 74 LEU HA 1 75 LEU HB2 . . 4.600 4.244 4.244 4.244 . 0 0 "[ ]" 1
1326 1 74 LEU HA 1 75 LEU MD1 . . 7.000 4.556 4.556 4.556 . 0 0 "[ ]" 1
1327 1 74 LEU HA 1 75 LEU HG . . 6.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
1328 1 74 LEU HB2 1 75 LEU H . . 4.100 4.316 4.316 4.316 0.216 1 0 "[ ]" 1
1329 1 74 LEU HB3 1 75 LEU H . . 4.300 3.349 3.349 3.349 . 0 0 "[ ]" 1
1330 1 74 LEU MD1 1 75 LEU H . . 6.700 5.046 5.046 5.046 . 0 0 "[ ]" 1
1331 1 74 LEU MD2 1 75 LEU H . . 7.000 4.520 4.520 4.520 . 0 0 "[ ]" 1
1332 1 74 LEU HG 1 75 LEU H . . 6.000 4.244 4.244 4.244 . 0 0 "[ ]" 1
1333 1 75 LEU H 1 75 LEU HB2 . . 3.600 2.235 2.235 2.235 . 0 0 "[ ]" 1
1334 1 75 LEU H 1 75 LEU MD1 . . 5.700 3.086 3.086 3.086 . 0 0 "[ ]" 1
1335 1 75 LEU H 1 75 LEU MD2 . . 5.200 3.858 3.858 3.858 . 0 0 "[ ]" 1
1336 1 75 LEU H 1 75 LEU HG . . 4.500 2.479 2.479 2.479 . 0 0 "[ ]" 1
1337 1 75 LEU H 1 76 PRO HD2 . . 6.000 4.836 4.836 4.836 . 0 0 "[ ]" 1
1338 1 75 LEU H 1 76 PRO HD3 . . 6.000 5.217 5.217 5.217 . 0 0 "[ ]" 1
1339 1 75 LEU H 1 78 LEU H . . 6.000 5.443 5.443 5.443 . 0 0 "[ ]" 1
1340 1 75 LEU H 1 78 LEU HA . . 5.800 4.353 4.353 4.353 . 0 0 "[ ]" 1
1341 1 75 LEU HA 1 75 LEU MD2 . . 4.300 2.289 2.289 2.289 . 0 0 "[ ]" 1
1342 1 75 LEU HA 1 75 LEU HG . . 4.500 2.623 2.623 2.623 . 0 0 "[ ]" 1
1343 1 75 LEU HA 1 76 PRO HD2 . . 4.900 2.513 2.513 2.513 . 0 0 "[ ]" 1
1344 1 75 LEU HA 1 76 PRO HD3 . . 4.500 2.518 2.518 2.518 . 0 0 "[ ]" 1
1345 1 75 LEU HA 1 100 THR HG1 . . 6.000 6.055 6.055 6.055 0.055 1 0 "[ ]" 1
1346 1 75 LEU HA 1 102 VAL MG1 . . 7.000 4.979 4.979 4.979 . 0 0 "[ ]" 1
1347 1 75 LEU HA 1 102 VAL MG2 . . 6.900 3.470 3.470 3.470 . 0 0 "[ ]" 1
1348 1 75 LEU HB2 1 76 PRO HD2 . . 5.900 3.779 3.779 3.779 . 0 0 "[ ]" 1
1349 1 75 LEU HB2 1 78 LEU HA . . 4.100 2.758 2.758 2.758 . 0 0 "[ ]" 1
1350 1 75 LEU HB3 1 76 PRO HD2 . . 4.700 2.231 2.231 2.231 . 0 0 "[ ]" 1
1351 1 75 LEU HB3 1 76 PRO HD3 . . 6.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
1352 1 75 LEU HB3 1 76 PRO HG3 . . 5.200 4.795 4.795 4.795 . 0 0 "[ ]" 1
1353 1 75 LEU HB3 1 79 PHE H . . 6.000 3.129 3.129 3.129 . 0 0 "[ ]" 1
1354 1 75 LEU HB3 1 79 PHE HB2 . . 6.000 2.674 2.674 2.674 . 0 0 "[ ]" 1
1355 1 75 LEU HB3 1 102 VAL HB . . 6.000 6.181 6.181 6.181 0.181 1 0 "[ ]" 1
1356 1 75 LEU HB3 1 102 VAL MG1 . . 7.000 5.153 5.153 5.153 . 0 0 "[ ]" 1
1357 1 75 LEU MD1 1 76 PRO HD2 . . 6.600 4.233 4.233 4.233 . 0 0 "[ ]" 1
1358 1 75 LEU MD1 1 76 PRO HD3 . . 7.000 5.386 5.386 5.386 . 0 0 "[ ]" 1
1359 1 75 LEU MD1 1 76 PRO HG3 . . 7.000 6.411 6.411 6.411 . 0 0 "[ ]" 1
1360 1 75 LEU MD1 1 79 PHE CG . . 9.000 3.407 3.407 3.407 . 0 0 "[ ]" 1
1361 1 75 LEU MD1 1 79 PHE CZ . . 9.000 5.013 5.013 5.013 . 0 0 "[ ]" 1
1362 1 75 LEU MD1 1 79 PHE HB2 . . 7.000 2.207 2.207 2.207 . 0 0 "[ ]" 1
1363 1 75 LEU MD1 1 79 PHE HB3 . . 7.000 2.250 2.250 2.250 . 0 0 "[ ]" 1
1364 1 75 LEU MD1 1 102 VAL HB . . 6.300 6.262 6.262 6.262 . 0 0 "[ ]" 1
1365 1 75 LEU MD1 1 102 VAL MG1 . . 7.500 4.580 4.580 4.580 . 0 0 "[ ]" 1
1366 1 75 LEU MD2 1 76 PRO HD2 . . 5.200 2.385 2.385 2.385 . 0 0 "[ ]" 1
1367 1 75 LEU MD2 1 76 PRO HD3 . . 5.500 3.201 3.201 3.201 . 0 0 "[ ]" 1
1368 1 75 LEU MD2 1 76 PRO HG2 . . 7.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
1369 1 75 LEU MD2 1 79 PHE CG . . 9.000 3.670 3.670 3.670 . 0 0 "[ ]" 1
1370 1 75 LEU MD2 1 79 PHE CZ . . 9.000 5.063 5.063 5.063 . 0 0 "[ ]" 1
1371 1 75 LEU MD2 1 79 PHE HB2 . . 7.000 2.240 2.240 2.240 . 0 0 "[ ]" 1
1372 1 75 LEU MD2 1 79 PHE HB3 . . 7.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
1373 1 75 LEU MD2 1 100 THR HG1 . . 7.000 5.612 5.612 5.612 . 0 0 "[ ]" 1
1374 1 75 LEU MD2 1 102 VAL MG1 . . 8.000 2.642 2.642 2.642 . 0 0 "[ ]" 1
1375 1 75 LEU MD2 1 102 VAL MG2 . . 7.300 2.122 2.122 2.122 . 0 0 "[ ]" 1
1376 1 76 PRO HA 1 76 PRO HG2 . . 4.300 3.866 3.866 3.866 . 0 0 "[ ]" 1
1377 1 76 PRO HA 1 77 ASP H . . 3.800 3.546 3.546 3.546 . 0 0 "[ ]" 1
1378 1 76 PRO HA 1 78 LEU H . . 5.900 4.058 4.058 4.058 . 0 0 "[ ]" 1
1379 1 76 PRO HB2 1 77 ASP H . . 4.800 2.063 2.063 2.063 . 0 0 "[ ]" 1
1380 1 76 PRO HB2 1 78 LEU H . . 6.000 4.909 4.909 4.909 . 0 0 "[ ]" 1
1381 1 76 PRO HB2 1 79 PHE H . . 5.700 5.137 5.137 5.137 . 0 0 "[ ]" 1
1382 1 76 PRO HB3 1 77 ASP H . . 6.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
1383 1 76 PRO HB3 1 78 LEU H . . 6.000 5.639 5.639 5.639 . 0 0 "[ ]" 1
1384 1 76 PRO HD2 1 79 PHE CG . . 8.000 5.802 5.802 5.802 . 0 0 "[ ]" 1
1385 1 76 PRO HD2 1 79 PHE HB3 . . 6.000 5.425 5.425 5.425 . 0 0 "[ ]" 1
1386 1 76 PRO HD2 1 102 VAL MG1 . . 6.500 4.345 4.345 4.345 . 0 0 "[ ]" 1
1387 1 76 PRO HD2 1 102 VAL MG2 . . 6.300 2.325 2.325 2.325 . 0 0 "[ ]" 1
1388 1 76 PRO HD3 1 77 ASP H . . 6.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
1389 1 76 PRO HD3 1 79 PHE H . . 6.000 5.490 5.490 5.490 . 0 0 "[ ]" 1
1390 1 76 PRO HD3 1 102 VAL HB . . 6.000 5.189 5.189 5.189 . 0 0 "[ ]" 1
1391 1 76 PRO HD3 1 102 VAL MG1 . . 7.000 4.747 4.747 4.747 . 0 0 "[ ]" 1
1392 1 76 PRO HD3 1 102 VAL MG2 . . 7.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
1393 1 76 PRO HG2 1 77 ASP H . . 6.000 2.179 2.179 2.179 . 0 0 "[ ]" 1
1394 1 76 PRO HG2 1 79 PHE H . . 6.000 3.598 3.598 3.598 . 0 0 "[ ]" 1
1395 1 76 PRO HG2 1 85 ILE MD . . 7.000 5.859 5.859 5.859 . 0 0 "[ ]" 1
1396 1 76 PRO HG2 1 102 VAL MG1 . . 7.000 5.501 5.501 5.501 . 0 0 "[ ]" 1
1397 1 76 PRO HG2 1 102 VAL MG2 . . 7.000 3.083 3.083 3.083 . 0 0 "[ ]" 1
1398 1 76 PRO HG2 1 104 ALA MB . . 6.800 3.876 3.876 3.876 . 0 0 "[ ]" 1
1399 1 76 PRO HG3 1 77 ASP H . . 6.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
1400 1 76 PRO HG3 1 79 PHE H . . 6.000 5.314 5.314 5.314 . 0 0 "[ ]" 1
1401 1 76 PRO HG3 1 85 ILE MD . . 7.000 5.857 5.857 5.857 . 0 0 "[ ]" 1
1402 1 76 PRO HG3 1 102 VAL HB . . 6.000 4.434 4.434 4.434 . 0 0 "[ ]" 1
1403 1 76 PRO HG3 1 102 VAL MG1 . . 7.000 5.006 5.006 5.006 . 0 0 "[ ]" 1
1404 1 76 PRO HG3 1 104 ALA MB . . 7.000 4.177 4.177 4.177 . 0 0 "[ ]" 1
1405 1 77 ASP H 1 77 ASP HB3 . . 4.100 3.504 3.504 3.504 . 0 0 "[ ]" 1
1406 1 77 ASP H 1 78 LEU H . . 4.100 3.522 3.522 3.522 . 0 0 "[ ]" 1
1407 1 77 ASP H 1 78 LEU HB3 . . 6.000 6.167 6.167 6.167 0.167 1 0 "[ ]" 1
1408 1 77 ASP H 1 79 PHE H . . 6.000 3.336 3.336 3.336 . 0 0 "[ ]" 1
1409 1 77 ASP HA 1 78 LEU H . . 4.300 2.773 2.773 2.773 . 0 0 "[ ]" 1
1410 1 77 ASP HA 1 79 PHE H . . 5.100 4.124 4.124 4.124 . 0 0 "[ ]" 1
1411 1 77 ASP HA 1 80 ARG H . . 6.000 5.313 5.313 5.313 . 0 0 "[ ]" 1
1412 1 77 ASP HA 1 80 ARG HD2 . . 6.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
1413 1 77 ASP HA 1 80 ARG HG2 . . 6.000 5.786 5.786 5.786 . 0 0 "[ ]" 1
1414 1 77 ASP HB3 1 78 LEU H . . 4.900 4.518 4.518 4.518 . 0 0 "[ ]" 1
1415 1 77 ASP HB3 1 78 LEU HB3 . . 6.000 5.704 5.704 5.704 . 0 0 "[ ]" 1
1416 1 77 ASP HB3 1 78 LEU MD1 . . 6.300 6.117 6.117 6.117 . 0 0 "[ ]" 1
1417 1 77 ASP HB3 1 79 PHE H . . 5.600 4.342 4.342 4.342 . 0 0 "[ ]" 1
1418 1 77 ASP HB3 1 80 ARG HA . . 6.000 5.525 5.525 5.525 . 0 0 "[ ]" 1
1419 1 77 ASP HB3 1 80 ARG HD3 . . 6.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
1420 1 78 LEU H 1 78 LEU HB3 . . 4.200 2.918 2.918 2.918 . 0 0 "[ ]" 1
1421 1 78 LEU H 1 78 LEU MD1 . . 5.500 4.875 4.875 4.875 . 0 0 "[ ]" 1
1422 1 78 LEU H 1 78 LEU MD2 . . 5.800 3.816 3.816 3.816 . 0 0 "[ ]" 1
1423 1 78 LEU H 1 78 LEU HG . . 5.700 4.192 4.192 4.192 . 0 0 "[ ]" 1
1424 1 78 LEU H 1 79 PHE H . . 3.600 2.957 2.957 2.957 . 0 0 "[ ]" 1
1425 1 78 LEU H 1 80 ARG H . . 6.000 5.417 5.417 5.417 . 0 0 "[ ]" 1
1426 1 78 LEU HA 1 78 LEU MD1 . . 3.900 3.742 3.742 3.742 . 0 0 "[ ]" 1
1427 1 78 LEU HA 1 78 LEU HG . . 4.000 3.656 3.656 3.656 . 0 0 "[ ]" 1
1428 1 78 LEU HA 1 79 PHE H . . 4.300 3.117 3.117 3.117 . 0 0 "[ ]" 1
1429 1 78 LEU HA 1 80 ARG H . . 6.000 5.665 5.665 5.665 . 0 0 "[ ]" 1
1430 1 78 LEU HB3 1 79 PHE H . . 4.700 4.538 4.538 4.538 . 0 0 "[ ]" 1
1431 1 78 LEU MD1 1 79 PHE H . . 7.000 4.717 4.717 4.717 . 0 0 "[ ]" 1
1432 1 78 LEU MD1 1 80 ARG QB . . 7.000 5.434 5.434 5.434 . 0 0 "[ ]" 1
1433 1 78 LEU MD2 1 79 PHE CG . . 9.000 7.195 7.195 7.195 . 0 0 "[ ]" 1
1434 1 78 LEU MD2 1 79 PHE H . . 6.500 4.530 4.530 4.530 . 0 0 "[ ]" 1
1435 1 78 LEU MD2 1 80 ARG HD2 . . 6.500 4.527 4.527 4.527 . 0 0 "[ ]" 1
1436 1 78 LEU HG 1 79 PHE H . . 6.000 3.677 3.677 3.677 . 0 0 "[ ]" 1
1437 1 78 LEU HG 1 80 ARG H . . 6.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
1438 1 78 LEU HG 1 80 ARG HA . . 6.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
1439 1 78 LEU HG 1 80 ARG QB . . 6.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
1440 1 78 LEU HG 1 80 ARG HG3 . . 6.000 3.660 3.660 3.660 . 0 0 "[ ]" 1
1441 1 79 PHE CG 1 80 ARG H . . 8.000 4.578 4.578 4.578 . 0 0 "[ ]" 1
1442 1 79 PHE CG 1 85 ILE MD . . 7.700 4.403 4.403 4.403 . 0 0 "[ ]" 1
1443 1 79 PHE CG 1 85 ILE HG13 . . 8.000 6.553 6.553 6.553 . 0 0 "[ ]" 1
1444 1 79 PHE CG 1 102 VAL MG1 . . 8.900 5.466 5.466 5.466 . 0 0 "[ ]" 1
1445 1 79 PHE CG 1 102 VAL MG2 . . 9.000 5.323 5.323 5.323 . 0 0 "[ ]" 1
1446 1 79 PHE CZ 1 85 ILE MD . . 9.000 3.871 3.871 3.871 . 0 0 "[ ]" 1
1447 1 79 PHE CZ 1 85 ILE HG13 . . 8.000 5.158 5.158 5.158 . 0 0 "[ ]" 1
1448 1 79 PHE CZ 1 85 ILE MG . . 9.000 4.615 4.615 4.615 . 0 0 "[ ]" 1
1449 1 79 PHE CZ 1 102 VAL MG1 . . 9.000 5.687 5.687 5.687 . 0 0 "[ ]" 1
1450 1 79 PHE H 1 79 PHE HB2 . . 4.000 3.163 3.163 3.163 . 0 0 "[ ]" 1
1451 1 79 PHE H 1 79 PHE HB3 . . 3.800 3.578 3.578 3.578 . 0 0 "[ ]" 1
1452 1 79 PHE H 1 80 ARG H . . 3.500 3.002 3.002 3.002 . 0 0 "[ ]" 1
1453 1 79 PHE H 1 80 ARG HD3 . . 6.000 5.738 5.738 5.738 . 0 0 "[ ]" 1
1454 1 79 PHE HA 1 80 ARG H . . 3.600 2.314 2.314 2.314 . 0 0 "[ ]" 1
1455 1 79 PHE HA 1 85 ILE MG . . 7.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
1456 1 79 PHE HA 1 104 ALA MB . . 7.000 4.538 4.538 4.538 . 0 0 "[ ]" 1
1457 1 79 PHE HB2 1 80 ARG H . . 6.000 4.559 4.559 4.559 . 0 0 "[ ]" 1
1458 1 79 PHE HB2 1 85 ILE MG . . 7.000 5.210 5.210 5.210 . 0 0 "[ ]" 1
1459 1 79 PHE HB2 1 102 VAL MG1 . . 7.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
1460 1 79 PHE HB3 1 80 ARG H . . 5.800 4.555 4.555 4.555 . 0 0 "[ ]" 1
1461 1 79 PHE HZ 1 85 ILE HG13 . . 6.000 4.965 4.965 4.965 . 0 0 "[ ]" 1
1462 1 80 ARG H 1 80 ARG HD2 . . 6.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
1463 1 80 ARG H 1 80 ARG HD3 . . 6.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
1464 1 80 ARG H 1 80 ARG HG2 . . 4.500 3.557 3.557 3.557 . 0 0 "[ ]" 1
1465 1 80 ARG H 1 80 ARG HG3 . . 4.400 2.196 2.196 2.196 . 0 0 "[ ]" 1
1466 1 80 ARG H 1 81 GLU H . . 6.000 4.510 4.510 4.510 . 0 0 "[ ]" 1
1467 1 80 ARG HA 1 80 ARG HD2 . . 4.900 4.859 4.859 4.859 . 0 0 "[ ]" 1
1468 1 80 ARG HA 1 80 ARG HG2 . . 4.500 2.608 2.608 2.608 . 0 0 "[ ]" 1
1469 1 80 ARG HA 1 81 GLU H . . 3.400 2.214 2.214 2.214 . 0 0 "[ ]" 1
1470 1 80 ARG QB 1 81 GLU H . . 4.700 3.501 3.501 3.501 . 0 0 "[ ]" 1
1471 1 80 ARG QB 1 83 GLN H . . 6.000 5.858 5.858 5.858 . 0 0 "[ ]" 1
1472 1 80 ARG QB 1 83 GLN HE21 . . 6.000 2.818 2.818 2.818 . 0 0 "[ ]" 1
1473 1 80 ARG QB 1 83 GLN HE22 . . 6.000 2.355 2.355 2.355 . 0 0 "[ ]" 1
1474 1 80 ARG QB 1 83 GLN QG . . 7.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
1475 1 80 ARG HG2 1 81 GLU H . . 6.000 4.602 4.602 4.602 . 0 0 "[ ]" 1
1476 1 80 ARG HG2 1 83 GLN HE22 . . 6.000 4.939 4.939 4.939 . 0 0 "[ ]" 1
1477 1 80 ARG HG3 1 81 GLU H . . 6.000 5.050 5.050 5.050 . 0 0 "[ ]" 1
1478 1 80 ARG HG3 1 83 GLN HE21 . . 6.000 5.606 5.606 5.606 . 0 0 "[ ]" 1
1479 1 80 ARG HG3 1 83 GLN HE22 . . 6.000 4.710 4.710 4.710 . 0 0 "[ ]" 1
1480 1 81 GLU H 1 81 GLU HB2 . . 4.300 2.593 2.593 2.593 . 0 0 "[ ]" 1
1481 1 81 GLU H 1 81 GLU HB3 . . 3.900 3.545 3.545 3.545 . 0 0 "[ ]" 1
1482 1 81 GLU H 1 81 GLU HG2 . . 3.700 3.677 3.677 3.677 . 0 0 "[ ]" 1
1483 1 81 GLU H 1 81 GLU HG3 . . 4.800 2.762 2.762 2.762 . 0 0 "[ ]" 1
1484 1 81 GLU H 1 82 GLY H . . 5.900 4.623 4.623 4.623 . 0 0 "[ ]" 1
1485 1 81 GLU HA 1 82 GLY H . . 3.300 2.489 2.489 2.489 . 0 0 "[ ]" 1
1486 1 81 GLU HA 1 83 GLN H . . 5.300 3.888 3.888 3.888 . 0 0 "[ ]" 1
1487 1 81 GLU HB2 1 82 GLY H . . 4.600 3.398 3.398 3.398 . 0 0 "[ ]" 1
1488 1 81 GLU HB2 1 83 GLN H . . 6.000 5.777 5.777 5.777 . 0 0 "[ ]" 1
1489 1 81 GLU HB3 1 82 GLY H . . 4.100 2.370 2.370 2.370 . 0 0 "[ ]" 1
1490 1 81 GLU HG3 1 82 GLY H . . 5.900 4.400 4.400 4.400 . 0 0 "[ ]" 1
1491 1 82 GLY H 1 83 GLN H . . 3.700 2.796 2.796 2.796 . 0 0 "[ ]" 1
1492 1 82 GLY HA2 1 83 GLN H . . 4.400 2.766 2.766 2.766 . 0 0 "[ ]" 1
1493 1 82 GLY HA3 1 83 GLN H . . 4.800 3.608 3.608 3.608 . 0 0 "[ ]" 1
1494 1 83 GLN H 1 83 GLN HB2 . . 3.900 3.934 3.934 3.934 0.034 1 0 "[ ]" 1
1495 1 83 GLN H 1 83 GLN HB3 . . 4.000 3.406 3.406 3.406 . 0 0 "[ ]" 1
1496 1 83 GLN H 1 83 GLN HE21 . . 4.600 4.647 4.647 4.647 0.047 1 0 "[ ]" 1
1497 1 83 GLN H 1 83 GLN HE22 . . 6.000 6.033 6.033 6.033 0.033 1 0 "[ ]" 1
1498 1 83 GLN H 1 84 GLY H . . 5.900 4.279 4.279 4.279 . 0 0 "[ ]" 1
1499 1 83 GLN H 1 106 HIS QB . . 6.000 6.155 6.155 6.155 0.155 1 0 "[ ]" 1
1500 1 83 GLN HA 1 84 GLY H . . 3.600 2.643 2.643 2.643 . 0 0 "[ ]" 1
1501 1 83 GLN HB2 1 83 GLN HE21 . . 4.400 3.219 3.219 3.219 . 0 0 "[ ]" 1
1502 1 83 GLN HB2 1 83 GLN HE22 . . 5.600 4.001 4.001 4.001 . 0 0 "[ ]" 1
1503 1 83 GLN HB2 1 84 GLY H . . 3.900 2.220 2.220 2.220 . 0 0 "[ ]" 1
1504 1 83 GLN HB3 1 84 GLY H . . 4.500 3.697 3.697 3.697 . 0 0 "[ ]" 1
1505 1 83 GLN HE21 1 84 GLY H . . 6.000 5.368 5.368 5.368 . 0 0 "[ ]" 1
1506 1 83 GLN HE22 1 104 ALA MB . . 7.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
1507 1 83 GLN QG 1 84 GLY H . . 7.000 3.128 3.128 3.128 . 0 0 "[ ]" 1
1508 1 83 GLN QG 1 85 ILE MD . . 8.000 5.156 5.156 5.156 . 0 0 "[ ]" 1
1509 1 84 GLY H 1 85 ILE H . . 4.600 4.559 4.559 4.559 . 0 0 "[ ]" 1
1510 1 84 GLY HA2 1 85 ILE H . . 3.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
1511 1 84 GLY HA2 1 85 ILE MG . . 7.000 3.871 3.871 3.871 . 0 0 "[ ]" 1
1512 1 84 GLY HA3 1 85 ILE H . . 3.700 2.997 2.997 2.997 . 0 0 "[ ]" 1
1513 1 85 ILE H 1 85 ILE MD . . 5.400 4.167 4.167 4.167 . 0 0 "[ ]" 1
1514 1 85 ILE H 1 85 ILE HG12 . . 3.900 3.639 3.639 3.639 . 0 0 "[ ]" 1
1515 1 85 ILE H 1 85 ILE HG13 . . 4.500 2.646 2.646 2.646 . 0 0 "[ ]" 1
1516 1 85 ILE H 1 85 ILE MG . . 4.700 3.313 3.313 3.313 . 0 0 "[ ]" 1
1517 1 85 ILE H 1 86 VAL H . . 5.500 4.372 4.372 4.372 . 0 0 "[ ]" 1
1518 1 85 ILE HA 1 85 ILE MD . . 4.700 3.839 3.839 3.839 . 0 0 "[ ]" 1
1519 1 85 ILE HA 1 85 ILE HG12 . . 4.300 4.138 4.138 4.138 . 0 0 "[ ]" 1
1520 1 85 ILE HA 1 85 ILE MG . . 3.700 2.416 2.416 2.416 . 0 0 "[ ]" 1
1521 1 85 ILE HA 1 86 VAL H . . 3.300 2.426 2.426 2.426 . 0 0 "[ ]" 1
1522 1 85 ILE HA 1 102 VAL HB . . 6.000 6.048 6.048 6.048 0.048 1 0 "[ ]" 1
1523 1 85 ILE HA 1 103 LEU H . . 6.000 5.375 5.375 5.375 . 0 0 "[ ]" 1
1524 1 85 ILE HA 1 104 ALA HA . . 3.400 3.108 3.108 3.108 . 0 0 "[ ]" 1
1525 1 85 ILE HA 1 104 ALA MB . . 7.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
1526 1 85 ILE HA 1 105 LYS H . . 4.200 3.820 3.820 3.820 . 0 0 "[ ]" 1
1527 1 85 ILE HB 1 86 VAL H . . 3.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
1528 1 85 ILE HB 1 103 LEU H . . 6.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
1529 1 85 ILE HB 1 104 ALA HA . . 6.000 3.045 3.045 3.045 . 0 0 "[ ]" 1
1530 1 85 ILE HB 1 104 ALA MB . . 7.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
1531 1 85 ILE MD 1 86 VAL H . . 5.100 3.033 3.033 3.033 . 0 0 "[ ]" 1
1532 1 85 ILE MD 1 87 ALA H . . 7.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
1533 1 85 ILE MD 1 87 ALA MB . . 6.200 2.108 2.108 2.108 . 0 0 "[ ]" 1
1534 1 85 ILE MD 1 102 VAL MG2 . . 7.100 3.628 3.628 3.628 . 0 0 "[ ]" 1
1535 1 85 ILE MD 1 104 ALA HA . . 7.000 4.473 4.473 4.473 . 0 0 "[ ]" 1
1536 1 85 ILE MD 1 104 ALA MB . . 6.500 4.490 4.490 4.490 . 0 0 "[ ]" 1
1537 1 85 ILE HG12 1 85 ILE MG . . 3.600 2.158 2.158 2.158 . 0 0 "[ ]" 1
1538 1 85 ILE HG12 1 86 VAL H . . 5.000 4.816 4.816 4.816 . 0 0 "[ ]" 1
1539 1 85 ILE HG13 1 86 VAL H . . 5.800 3.943 3.943 3.943 . 0 0 "[ ]" 1
1540 1 85 ILE MG 1 86 VAL H . . 5.500 3.741 3.741 3.741 . 0 0 "[ ]" 1
1541 1 85 ILE MG 1 104 ALA HA . . 5.700 2.370 2.370 2.370 . 0 0 "[ ]" 1
1542 1 85 ILE MG 1 104 ALA MB . . 6.200 2.746 2.746 2.746 . 0 0 "[ ]" 1
1543 1 85 ILE MG 1 105 LYS H . . 7.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
1544 1 86 VAL H 1 87 ALA H . . 5.400 4.318 4.318 4.318 . 0 0 "[ ]" 1
1545 1 86 VAL H 1 103 LEU H . . 3.400 3.265 3.265 3.265 . 0 0 "[ ]" 1
1546 1 86 VAL H 1 103 LEU HB2 . . 5.500 4.013 4.013 4.013 . 0 0 "[ ]" 1
1547 1 86 VAL H 1 104 ALA HA . . 3.800 3.706 3.706 3.706 . 0 0 "[ ]" 1
1548 1 86 VAL H 1 104 ALA MB . . 7.000 5.022 5.022 5.022 . 0 0 "[ ]" 1
1549 1 86 VAL H 1 105 LYS H . . 5.600 3.663 3.663 3.663 . 0 0 "[ ]" 1
1550 1 86 VAL H 1 105 LYS QG . . 7.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
1551 1 86 VAL HA 1 87 ALA H . . 3.100 2.141 2.141 2.141 . 0 0 "[ ]" 1
1552 1 86 VAL HB 1 87 ALA H . . 4.300 3.120 3.120 3.120 . 0 0 "[ ]" 1
1553 1 86 VAL HB 1 103 LEU H . . 6.000 4.691 4.691 4.691 . 0 0 "[ ]" 1
1554 1 86 VAL MG1 1 87 ALA H . . 6.100 3.849 3.849 3.849 . 0 0 "[ ]" 1
1555 1 86 VAL MG1 1 105 LYS QE . . 8.000 2.194 2.194 2.194 . 0 0 "[ ]" 1
1556 1 86 VAL MG2 1 87 ALA H . . 5.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
1557 1 86 VAL MG2 1 103 LEU H . . 7.000 2.683 2.683 2.683 . 0 0 "[ ]" 1
1558 1 86 VAL MG2 1 103 LEU HB3 . . 5.600 3.474 3.474 3.474 . 0 0 "[ ]" 1
1559 1 86 VAL MG2 1 103 LEU MD2 . . 7.900 2.273 2.273 2.273 . 0 0 "[ ]" 1
1560 1 86 VAL MG2 1 105 LYS QD . . 6.600 2.644 2.644 2.644 . 0 0 "[ ]" 1
1561 1 86 VAL MG2 1 105 LYS QE . . 8.000 2.600 2.600 2.600 . 0 0 "[ ]" 1
1562 1 87 ALA H 1 87 ALA MB . . 3.400 2.491 2.491 2.491 . 0 0 "[ ]" 1
1563 1 87 ALA H 1 88 GLN H . . 6.000 4.272 4.272 4.272 . 0 0 "[ ]" 1
1564 1 87 ALA HA 1 88 GLN H . . 3.200 2.171 2.171 2.171 . 0 0 "[ ]" 1
1565 1 87 ALA HA 1 102 VAL HA . . 3.100 2.087 2.087 2.087 . 0 0 "[ ]" 1
1566 1 87 ALA HA 1 102 VAL MG1 . . 7.000 2.323 2.323 2.323 . 0 0 "[ ]" 1
1567 1 87 ALA HA 1 102 VAL MG2 . . 7.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
1568 1 87 ALA HA 1 103 LEU H . . 3.500 3.481 3.481 3.481 . 0 0 "[ ]" 1
1569 1 87 ALA MB 1 88 GLN H . . 4.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
1570 1 87 ALA MB 1 99 ALA MB . . 6.600 2.258 2.258 2.258 . 0 0 "[ ]" 1
1571 1 87 ALA MB 1 101 GLU H . . 7.000 5.298 5.298 5.298 . 0 0 "[ ]" 1
1572 1 87 ALA MB 1 102 VAL HA . . 6.700 3.439 3.439 3.439 . 0 0 "[ ]" 1
1573 1 87 ALA MB 1 102 VAL HB . . 4.700 3.670 3.670 3.670 . 0 0 "[ ]" 1
1574 1 87 ALA MB 1 102 VAL MG1 . . 5.800 1.988 1.988 1.988 . 0 0 "[ ]" 1
1575 1 87 ALA MB 1 102 VAL MG2 . . 6.400 4.350 4.350 4.350 . 0 0 "[ ]" 1
1576 1 87 ALA MB 1 103 LEU MD2 . . 6.200 4.988 4.988 4.988 . 0 0 "[ ]" 1
1577 1 88 GLN H 1 88 GLN HB2 . . 4.100 3.046 3.046 3.046 . 0 0 "[ ]" 1
1578 1 88 GLN H 1 88 GLN HB3 . . 3.900 2.320 2.320 2.320 . 0 0 "[ ]" 1
1579 1 88 GLN H 1 88 GLN HE21 . . 6.000 4.110 4.110 4.110 . 0 0 "[ ]" 1
1580 1 88 GLN H 1 99 ALA MB . . 7.000 3.407 3.407 3.407 . 0 0 "[ ]" 1
1581 1 88 GLN H 1 100 THR H . . 6.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
1582 1 88 GLN H 1 101 GLU H . . 3.400 3.464 3.464 3.464 0.064 1 0 "[ ]" 1
1583 1 88 GLN H 1 101 GLU HB2 . . 6.000 3.369 3.369 3.369 . 0 0 "[ ]" 1
1584 1 88 GLN H 1 101 GLU HB3 . . 6.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
1585 1 88 GLN H 1 102 VAL HA . . 3.600 3.068 3.068 3.068 . 0 0 "[ ]" 1
1586 1 88 GLN HA 1 88 GLN HG2 . . 4.300 3.200 3.200 3.200 . 0 0 "[ ]" 1
1587 1 88 GLN HA 1 88 GLN HG3 . . 4.400 2.720 2.720 2.720 . 0 0 "[ ]" 1
1588 1 88 GLN HA 1 89 GLY H . . 3.200 2.142 2.142 2.142 . 0 0 "[ ]" 1
1589 1 88 GLN HB2 1 88 GLN HE21 . . 4.600 2.493 2.493 2.493 . 0 0 "[ ]" 1
1590 1 88 GLN HB2 1 88 GLN HE22 . . 4.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
1591 1 88 GLN HB2 1 89 GLY H . . 4.500 3.963 3.963 3.963 . 0 0 "[ ]" 1
1592 1 88 GLN HB2 1 101 GLU H . . 6.000 5.179 5.179 5.179 . 0 0 "[ ]" 1
1593 1 88 GLN HB3 1 88 GLN HE21 . . 4.600 1.945 1.945 1.945 . 0 0 "[ ]" 1
1594 1 88 GLN HB3 1 88 GLN HE22 . . 4.600 3.377 3.377 3.377 . 0 0 "[ ]" 1
1595 1 88 GLN HB3 1 89 GLY H . . 5.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
1596 1 88 GLN HB3 1 100 THR H . . 6.000 4.677 4.677 4.677 . 0 0 "[ ]" 1
1597 1 88 GLN HB3 1 101 GLU H . . 6.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
1598 1 88 GLN HE21 1 101 GLU HB2 . . 6.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
1599 1 88 GLN HE21 1 101 GLU HG2 . . 6.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
1600 1 88 GLN HE21 1 101 GLU HG3 . . 6.000 4.758 4.758 4.758 . 0 0 "[ ]" 1
1601 1 88 GLN HE22 1 101 GLU H . . 6.000 5.525 5.525 5.525 . 0 0 "[ ]" 1
1602 1 88 GLN HE22 1 101 GLU HB2 . . 6.000 3.327 3.327 3.327 . 0 0 "[ ]" 1
1603 1 88 GLN HE22 1 101 GLU HB3 . . 6.000 3.037 3.037 3.037 . 0 0 "[ ]" 1
1604 1 88 GLN HE22 1 101 GLU HG2 . . 6.000 4.150 4.150 4.150 . 0 0 "[ ]" 1
1605 1 88 GLN HE22 1 101 GLU HG3 . . 6.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
1606 1 88 GLN HG2 1 89 GLY H . . 5.900 2.751 2.751 2.751 . 0 0 "[ ]" 1
1607 1 88 GLN HG3 1 89 GLY H . . 5.800 2.702 2.702 2.702 . 0 0 "[ ]" 1
1608 1 89 GLY H 1 90 VAL H . . 4.400 3.878 3.878 3.878 . 0 0 "[ ]" 1
1609 1 89 GLY H 1 97 LEU QD . . 6.900 5.147 5.147 5.147 . 0 0 "[ ]" 1
1610 1 89 GLY HA2 1 90 VAL H . . 3.800 3.301 3.301 3.301 . 0 0 "[ ]" 1
1611 1 89 GLY HA2 1 91 LEU MD2 . . 7.000 6.518 6.518 6.518 . 0 0 "[ ]" 1
1612 1 89 GLY HA2 1 99 ALA HA . . 4.600 3.677 3.677 3.677 . 0 0 "[ ]" 1
1613 1 89 GLY HA2 1 99 ALA MB . . 7.000 4.803 4.803 4.803 . 0 0 "[ ]" 1
1614 1 89 GLY HA2 1 100 THR H . . 3.800 3.769 3.769 3.769 . 0 0 "[ ]" 1
1615 1 89 GLY HA3 1 90 VAL H . . 3.400 2.230 2.230 2.230 . 0 0 "[ ]" 1
1616 1 89 GLY HA3 1 91 LEU MD2 . . 7.000 6.017 6.017 6.017 . 0 0 "[ ]" 1
1617 1 89 GLY HA3 1 99 ALA HA . . 4.400 2.080 2.080 2.080 . 0 0 "[ ]" 1
1618 1 89 GLY HA3 1 99 ALA MB . . 7.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
1619 1 89 GLY HA3 1 100 THR H . . 4.700 3.012 3.012 3.012 . 0 0 "[ ]" 1
1620 1 90 VAL H 1 90 VAL HB . . 3.700 3.262 3.262 3.262 . 0 0 "[ ]" 1
1621 1 90 VAL H 1 90 VAL MG2 . . 4.000 3.983 3.983 3.983 . 0 0 "[ ]" 1
1622 1 90 VAL H 1 91 LEU H . . 4.700 4.372 4.372 4.372 . 0 0 "[ ]" 1
1623 1 90 VAL H 1 91 LEU MD2 . . 7.000 4.726 4.726 4.726 . 0 0 "[ ]" 1
1624 1 90 VAL H 1 97 LEU QD . . 7.000 5.131 5.131 5.131 . 0 0 "[ ]" 1
1625 1 90 VAL H 1 98 ALA H . . 3.500 3.369 3.369 3.369 . 0 0 "[ ]" 1
1626 1 90 VAL H 1 99 ALA HA . . 3.600 3.340 3.340 3.340 . 0 0 "[ ]" 1
1627 1 90 VAL H 1 99 ALA MB . . 5.300 4.448 4.448 4.448 . 0 0 "[ ]" 1
1628 1 90 VAL H 1 100 THR MG . . 7.000 4.765 4.765 4.765 . 0 0 "[ ]" 1
1629 1 90 VAL HA 1 91 LEU H . . 3.100 2.217 2.217 2.217 . 0 0 "[ ]" 1
1630 1 90 VAL HB 1 91 LEU H . . 4.700 4.068 4.068 4.068 . 0 0 "[ ]" 1
1631 1 90 VAL MG1 1 91 LEU H . . 4.700 3.837 3.837 3.837 . 0 0 "[ ]" 1
1632 1 90 VAL MG1 1 98 ALA H . . 6.800 3.545 3.545 3.545 . 0 0 "[ ]" 1
1633 1 90 VAL MG2 1 91 LEU H . . 6.100 2.407 2.407 2.407 . 0 0 "[ ]" 1
1634 1 90 VAL MG2 1 98 ALA MB . . 7.200 4.209 4.209 4.209 . 0 0 "[ ]" 1
1635 1 91 LEU H 1 91 LEU HB2 . . 3.500 2.220 2.220 2.220 . 0 0 "[ ]" 1
1636 1 91 LEU H 1 91 LEU HB3 . . 4.200 3.507 3.507 3.507 . 0 0 "[ ]" 1
1637 1 91 LEU H 1 91 LEU MD1 . . 5.600 3.970 3.970 3.970 . 0 0 "[ ]" 1
1638 1 91 LEU H 1 91 LEU MD2 . . 4.900 2.288 2.288 2.288 . 0 0 "[ ]" 1
1639 1 91 LEU H 1 91 LEU HG . . 4.900 3.752 3.752 3.752 . 0 0 "[ ]" 1
1640 1 91 LEU H 1 92 GLY H . . 4.900 4.535 4.535 4.535 . 0 0 "[ ]" 1
1641 1 91 LEU HA 1 91 LEU MD1 . . 4.600 2.136 2.136 2.136 . 0 0 "[ ]" 1
1642 1 91 LEU HA 1 91 LEU MD2 . . 4.300 2.284 2.284 2.284 . 0 0 "[ ]" 1
1643 1 91 LEU HA 1 91 LEU HG . . 4.300 3.746 3.746 3.746 . 0 0 "[ ]" 1
1644 1 91 LEU HA 1 92 GLY H . . 3.200 2.200 2.200 2.200 . 0 0 "[ ]" 1
1645 1 91 LEU HA 1 97 LEU HA . . 3.200 2.446 2.446 2.446 . 0 0 "[ ]" 1
1646 1 91 LEU HA 1 97 LEU QD . . 6.300 2.866 2.866 2.866 . 0 0 "[ ]" 1
1647 1 91 LEU HA 1 98 ALA H . . 3.200 3.218 3.218 3.218 0.018 1 0 "[ ]" 1
1648 1 91 LEU HB2 1 92 GLY H . . 5.200 4.536 4.536 4.536 . 0 0 "[ ]" 1
1649 1 91 LEU HB2 1 97 LEU QD . . 6.800 4.642 4.642 4.642 . 0 0 "[ ]" 1
1650 1 91 LEU HB2 1 98 ALA H . . 5.800 5.886 5.886 5.886 0.086 1 0 "[ ]" 1
1651 1 91 LEU HB3 1 92 GLY H . . 4.200 3.631 3.631 3.631 . 0 0 "[ ]" 1
1652 1 91 LEU MD1 1 92 GLY H . . 5.300 3.385 3.385 3.385 . 0 0 "[ ]" 1
1653 1 91 LEU MD1 1 93 GLU H . . 7.000 5.519 5.519 5.519 . 0 0 "[ ]" 1
1654 1 91 LEU MD1 1 95 GLY H . . 6.900 3.045 3.045 3.045 . 0 0 "[ ]" 1
1655 1 91 LEU MD1 1 96 LYS H . . 7.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
1656 1 91 LEU MD1 1 97 LEU HA . . 7.000 3.093 3.093 3.093 . 0 0 "[ ]" 1
1657 1 91 LEU MD1 1 97 LEU HB2 . . 7.000 5.087 5.087 5.087 . 0 0 "[ ]" 1
1658 1 91 LEU MD1 1 97 LEU HG . . 5.600 4.176 4.176 4.176 . 0 0 "[ ]" 1
1659 1 91 LEU MD1 1 98 ALA H . . 7.000 4.665 4.665 4.665 . 0 0 "[ ]" 1
1660 1 91 LEU MD2 1 92 GLY H . . 6.300 4.223 4.223 4.223 . 0 0 "[ ]" 1
1661 1 91 LEU MD2 1 97 LEU HA . . 6.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
1662 1 91 LEU MD2 1 97 LEU HB2 . . 7.000 4.945 4.945 4.945 . 0 0 "[ ]" 1
1663 1 91 LEU MD2 1 97 LEU QD . . 7.000 2.067 2.067 2.067 . 0 0 "[ ]" 1
1664 1 91 LEU MD2 1 97 LEU HG . . 5.500 4.722 4.722 4.722 . 0 0 "[ ]" 1
1665 1 91 LEU MD2 1 98 ALA H . . 6.400 4.394 4.394 4.394 . 0 0 "[ ]" 1
1666 1 91 LEU HG 1 92 GLY H . . 5.700 5.587 5.587 5.587 . 0 0 "[ ]" 1
1667 1 92 GLY H 1 93 GLU H . . 4.200 3.144 3.144 3.144 . 0 0 "[ ]" 1
1668 1 92 GLY H 1 94 ASP H . . 6.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
1669 1 92 GLY H 1 95 GLY H . . 6.000 4.405 4.405 4.405 . 0 0 "[ ]" 1
1670 1 92 GLY H 1 96 LYS H . . 4.700 4.702 4.702 4.702 0.002 1 0 "[ ]" 1
1671 1 92 GLY H 1 97 LEU HA . . 3.400 2.694 2.694 2.694 . 0 0 "[ ]" 1
1672 1 92 GLY H 1 97 LEU HB3 . . 6.000 4.915 4.915 4.915 . 0 0 "[ ]" 1
1673 1 92 GLY H 1 97 LEU QD . . 6.000 3.792 3.792 3.792 . 0 0 "[ ]" 1
1674 1 92 GLY H 1 98 ALA H . . 5.200 2.692 2.692 2.692 . 0 0 "[ ]" 1
1675 1 92 GLY QA 1 93 GLU H . . 4.300 2.210 2.210 2.210 . 0 0 "[ ]" 1
1676 1 92 GLY QA 1 94 ASP HA . . 5.300 5.514 5.514 5.514 0.214 1 0 "[ ]" 1
1677 1 92 GLY QA 1 98 ALA MB . . 5.800 2.522 2.522 2.522 . 0 0 "[ ]" 1
1678 1 93 GLU H 1 94 ASP H . . 5.300 3.777 3.777 3.777 . 0 0 "[ ]" 1
1679 1 93 GLU H 1 97 LEU QD . . 7.000 5.644 5.644 5.644 . 0 0 "[ ]" 1
1680 1 93 GLU HA 1 94 ASP H . . 3.700 2.318 2.318 2.318 . 0 0 "[ ]" 1
1681 1 93 GLU HB2 1 94 ASP H . . 4.600 4.581 4.581 4.581 . 0 0 "[ ]" 1
1682 1 93 GLU HB2 1 96 LYS QB . . 4.800 3.729 3.729 3.729 . 0 0 "[ ]" 1
1683 1 93 GLU HB3 1 94 ASP H . . 4.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
1684 1 93 GLU HB3 1 96 LYS QB . . 5.000 2.286 2.286 2.286 . 0 0 "[ ]" 1
1685 1 93 GLU QG 1 94 ASP H . . 7.000 3.774 3.774 3.774 . 0 0 "[ ]" 1
1686 1 94 ASP H 1 95 GLY H . . 3.400 3.459 3.459 3.459 0.059 1 0 "[ ]" 1
1687 1 94 ASP H 1 95 GLY HA2 . . 5.900 5.953 5.953 5.953 0.053 1 0 "[ ]" 1
1688 1 94 ASP H 1 95 GLY HA3 . . 6.000 5.491 5.491 5.491 . 0 0 "[ ]" 1
1689 1 94 ASP H 1 96 LYS H . . 5.100 4.398 4.398 4.398 . 0 0 "[ ]" 1
1690 1 94 ASP HA 1 95 GLY H . . 5.100 2.328 2.328 2.328 . 0 0 "[ ]" 1
1691 1 94 ASP HB2 1 95 GLY H . . 5.600 4.572 4.572 4.572 . 0 0 "[ ]" 1
1692 1 95 GLY H 1 96 LYS H . . 3.300 2.614 2.614 2.614 . 0 0 "[ ]" 1
1693 1 95 GLY H 1 96 LYS QG . . 7.000 6.014 6.014 6.014 . 0 0 "[ ]" 1
1694 1 95 GLY H 1 97 LEU QD . . 7.000 4.055 4.055 4.055 . 0 0 "[ ]" 1
1695 1 95 GLY HA2 1 96 LYS H . . 4.400 3.598 3.598 3.598 . 0 0 "[ ]" 1
1696 1 95 GLY HA2 1 97 LEU QD . . 7.000 4.464 4.464 4.464 . 0 0 "[ ]" 1
1697 1 95 GLY HA3 1 96 LYS H . . 4.100 2.625 2.625 2.625 . 0 0 "[ ]" 1
1698 1 95 GLY HA3 1 97 LEU QD . . 7.000 5.215 5.215 5.215 . 0 0 "[ ]" 1
1699 1 96 LYS H 1 96 LYS QB . . 3.800 2.254 2.254 2.254 . 0 0 "[ ]" 1
1700 1 96 LYS H 1 96 LYS HD2 . . 5.400 4.697 4.697 4.697 . 0 0 "[ ]" 1
1701 1 96 LYS H 1 96 LYS HD3 . . 5.300 3.312 3.312 3.312 . 0 0 "[ ]" 1
1702 1 96 LYS H 1 96 LYS HE2 . . 5.400 3.964 3.964 3.964 . 0 0 "[ ]" 1
1703 1 96 LYS H 1 96 LYS HE3 . . 5.100 2.420 2.420 2.420 . 0 0 "[ ]" 1
1704 1 96 LYS H 1 96 LYS QG . . 4.700 3.888 3.888 3.888 . 0 0 "[ ]" 1
1705 1 96 LYS H 1 97 LEU H . . 5.800 4.602 4.602 4.602 . 0 0 "[ ]" 1
1706 1 96 LYS H 1 97 LEU QD . . 7.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
1707 1 96 LYS HA 1 96 LYS HD2 . . 4.600 3.804 3.804 3.804 . 0 0 "[ ]" 1
1708 1 96 LYS HA 1 96 LYS HD3 . . 4.300 2.500 2.500 2.500 . 0 0 "[ ]" 1
1709 1 96 LYS HA 1 96 LYS HE2 . . 6.000 4.706 4.706 4.706 . 0 0 "[ ]" 1
1710 1 96 LYS HA 1 96 LYS HE3 . . 5.300 3.767 3.767 3.767 . 0 0 "[ ]" 1
1711 1 96 LYS HA 1 97 LEU H . . 3.300 2.182 2.182 2.182 . 0 0 "[ ]" 1
1712 1 96 LYS QB 1 96 LYS HD3 . . 3.700 3.075 3.075 3.075 . 0 0 "[ ]" 1
1713 1 96 LYS QB 1 97 LEU H . . 3.700 2.969 2.969 2.969 . 0 0 "[ ]" 1
1714 1 96 LYS HD2 1 97 LEU H . . 6.000 5.482 5.482 5.482 . 0 0 "[ ]" 1
1715 1 96 LYS HD3 1 97 LEU H . . 5.900 4.545 4.545 4.545 . 0 0 "[ ]" 1
1716 1 96 LYS QG 1 97 LEU H . . 7.000 3.195 3.195 3.195 . 0 0 "[ ]" 1
1717 1 96 LYS QG 1 97 LEU QD . . 5.800 4.865 4.865 4.865 . 0 0 "[ ]" 1
1718 1 97 LEU H 1 97 LEU HB2 . . 4.200 2.645 2.645 2.645 . 0 0 "[ ]" 1
1719 1 97 LEU H 1 97 LEU HB3 . . 4.300 3.679 3.679 3.679 . 0 0 "[ ]" 1
1720 1 97 LEU H 1 97 LEU HG . . 5.100 2.371 2.371 2.371 . 0 0 "[ ]" 1
1721 1 97 LEU H 1 98 ALA H . . 5.300 4.473 4.473 4.473 . 0 0 "[ ]" 1
1722 1 97 LEU HA 1 97 LEU HG . . 3.800 3.453 3.453 3.453 . 0 0 "[ ]" 1
1723 1 97 LEU HA 1 98 ALA H . . 3.100 2.282 2.282 2.282 . 0 0 "[ ]" 1
1724 1 97 LEU HA 1 98 ALA MB . . 5.100 4.179 4.179 4.179 . 0 0 "[ ]" 1
1725 1 97 LEU HB2 1 98 ALA H . . 6.000 4.158 4.158 4.158 . 0 0 "[ ]" 1
1726 1 97 LEU HB3 1 98 ALA H . . 5.300 3.475 3.475 3.475 . 0 0 "[ ]" 1
1727 1 97 LEU QD 1 98 ALA H . . 6.100 4.001 4.001 4.001 . 0 0 "[ ]" 1
1728 1 97 LEU QD 1 98 ALA MB . . 7.500 5.078 5.078 5.078 . 0 0 "[ ]" 1
1729 1 97 LEU QD 1 99 ALA H . . 7.000 5.235 5.235 5.235 . 0 0 "[ ]" 1
1730 1 97 LEU QD 1 99 ALA MB . . 7.900 3.653 3.653 3.653 . 0 0 "[ ]" 1
1731 1 97 LEU HG 1 98 ALA H . . 5.600 5.475 5.475 5.475 . 0 0 "[ ]" 1
1732 1 98 ALA H 1 98 ALA MB . . 3.400 2.315 2.315 2.315 . 0 0 "[ ]" 1
1733 1 98 ALA H 1 99 ALA H . . 5.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
1734 1 98 ALA HA 1 99 ALA H . . 3.200 2.218 2.218 2.218 . 0 0 "[ ]" 1
1735 1 98 ALA MB 1 99 ALA H . . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
1736 1 99 ALA H 1 99 ALA MB . . 3.400 2.370 2.370 2.370 . 0 0 "[ ]" 1
1737 1 99 ALA H 1 100 THR H . . 5.500 4.522 4.522 4.522 . 0 0 "[ ]" 1
1738 1 99 ALA HA 1 100 THR H . . 3.400 2.251 2.251 2.251 . 0 0 "[ ]" 1
1739 1 99 ALA HA 1 101 GLU H . . 4.700 4.004 4.004 4.004 . 0 0 "[ ]" 1
1740 1 99 ALA MB 1 100 THR H . . 4.500 2.593 2.593 2.593 . 0 0 "[ ]" 1
1741 1 99 ALA MB 1 100 THR HA . . 5.700 3.881 3.881 3.881 . 0 0 "[ ]" 1
1742 1 99 ALA MB 1 101 GLU H . . 4.700 3.916 3.916 3.916 . 0 0 "[ ]" 1
1743 1 100 THR H 1 100 THR HB . . 4.100 3.492 3.492 3.492 . 0 0 "[ ]" 1
1744 1 100 THR H 1 101 GLU H . . 3.300 1.935 1.935 1.935 . 0 0 "[ ]" 1
1745 1 100 THR HA 1 101 GLU H . . 4.100 3.613 3.613 3.613 . 0 0 "[ ]" 1
1746 1 100 THR HB 1 101 GLU H . . 5.000 4.234 4.234 4.234 . 0 0 "[ ]" 1
1747 1 100 THR HG1 1 101 GLU HA . . 6.000 5.167 5.167 5.167 . 0 0 "[ ]" 1
1748 1 100 THR HG1 1 102 VAL MG2 . . 7.000 5.266 5.266 5.266 . 0 0 "[ ]" 1
1749 1 100 THR MG 1 101 GLU H . . 6.200 2.470 2.470 2.470 . 0 0 "[ ]" 1
1750 1 101 GLU H 1 101 GLU HB3 . . 3.800 3.527 3.527 3.527 . 0 0 "[ ]" 1
1751 1 101 GLU H 1 101 GLU HG2 . . 5.400 3.975 3.975 3.975 . 0 0 "[ ]" 1
1752 1 101 GLU H 1 101 GLU HG3 . . 4.400 2.803 2.803 2.803 . 0 0 "[ ]" 1
1753 1 101 GLU H 1 102 VAL H . . 4.500 3.774 3.774 3.774 . 0 0 "[ ]" 1
1754 1 101 GLU H 1 102 VAL MG2 . . 7.000 5.197 5.197 5.197 . 0 0 "[ ]" 1
1755 1 101 GLU HA 1 102 VAL H . . 3.400 2.420 2.420 2.420 . 0 0 "[ ]" 1
1756 1 101 GLU HA 1 102 VAL MG2 . . 7.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
1757 1 101 GLU HB2 1 102 VAL H . . 4.600 4.564 4.564 4.564 . 0 0 "[ ]" 1
1758 1 101 GLU HB3 1 102 VAL H . . 4.500 4.319 4.319 4.319 . 0 0 "[ ]" 1
1759 1 101 GLU HG2 1 102 VAL H . . 5.900 5.028 5.028 5.028 . 0 0 "[ ]" 1
1760 1 101 GLU HG3 1 102 VAL H . . 6.000 5.097 5.097 5.097 . 0 0 "[ ]" 1
1761 1 102 VAL H 1 102 VAL HB . . 4.000 3.769 3.769 3.769 . 0 0 "[ ]" 1
1762 1 102 VAL H 1 102 VAL MG2 . . 4.200 2.100 2.100 2.100 . 0 0 "[ ]" 1
1763 1 102 VAL H 1 103 LEU H . . 5.700 4.521 4.521 4.521 . 0 0 "[ ]" 1
1764 1 102 VAL HA 1 103 LEU H . . 3.100 2.140 2.140 2.140 . 0 0 "[ ]" 1
1765 1 102 VAL HB 1 103 LEU H . . 4.900 3.145 3.145 3.145 . 0 0 "[ ]" 1
1766 1 102 VAL MG1 1 103 LEU H . . 5.100 3.885 3.885 3.885 . 0 0 "[ ]" 1
1767 1 102 VAL MG2 1 103 LEU H . . 6.400 4.002 4.002 4.002 . 0 0 "[ ]" 1
1768 1 103 LEU H 1 103 LEU HB2 . . 4.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
1769 1 103 LEU H 1 103 LEU MD1 . . 4.800 3.582 3.582 3.582 . 0 0 "[ ]" 1
1770 1 103 LEU H 1 103 LEU MD2 . . 5.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
1771 1 103 LEU H 1 103 LEU HG . . 4.600 4.388 4.388 4.388 . 0 0 "[ ]" 1
1772 1 103 LEU H 1 104 ALA H . . 4.600 4.111 4.111 4.111 . 0 0 "[ ]" 1
1773 1 103 LEU HA 1 103 LEU MD1 . . 4.600 2.311 2.311 2.311 . 0 0 "[ ]" 1
1774 1 103 LEU HA 1 103 LEU HG . . 4.000 3.794 3.794 3.794 . 0 0 "[ ]" 1
1775 1 103 LEU HA 1 104 ALA H . . 4.200 2.184 2.184 2.184 . 0 0 "[ ]" 1
1776 1 103 LEU HA 1 104 ALA MB . . 6.900 4.086 4.086 4.086 . 0 0 "[ ]" 1
1777 1 103 LEU HB2 1 104 ALA H . . 4.300 4.321 4.321 4.321 0.021 1 0 "[ ]" 1
1778 1 103 LEU HB3 1 104 ALA H . . 3.900 3.656 3.656 3.656 . 0 0 "[ ]" 1
1779 1 103 LEU MD1 1 104 ALA H . . 5.700 4.070 4.070 4.070 . 0 0 "[ ]" 1
1780 1 103 LEU MD2 1 104 ALA H . . 7.000 5.070 5.070 5.070 . 0 0 "[ ]" 1
1781 1 103 LEU MD2 1 105 LYS H . . 7.000 5.094 5.094 5.094 . 0 0 "[ ]" 1
1782 1 103 LEU MD2 1 105 LYS QD . . 6.500 4.634 4.634 4.634 . 0 0 "[ ]" 1
1783 1 103 LEU HG 1 104 ALA H . . 6.000 5.686 5.686 5.686 . 0 0 "[ ]" 1
1784 1 104 ALA H 1 105 LYS H . . 4.700 3.582 3.582 3.582 . 0 0 "[ ]" 1
1785 1 104 ALA HA 1 105 LYS H . . 3.300 2.612 2.612 2.612 . 0 0 "[ ]" 1
1786 1 104 ALA HA 1 105 LYS QG . . 6.200 4.504 4.504 4.504 . 0 0 "[ ]" 1
1787 1 104 ALA MB 1 105 LYS H . . 4.500 3.789 3.789 3.789 . 0 0 "[ ]" 1
1788 1 104 ALA MB 1 105 LYS HB2 . . 7.000 6.118 6.118 6.118 . 0 0 "[ ]" 1
1789 1 104 ALA MB 1 106 HIS H . . 4.900 4.055 4.055 4.055 . 0 0 "[ ]" 1
1790 1 105 LYS H 1 105 LYS HB2 . . 4.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
1791 1 105 LYS H 1 105 LYS HB3 . . 4.100 2.607 2.607 2.607 . 0 0 "[ ]" 1
1792 1 105 LYS H 1 105 LYS QD . . 5.100 3.980 3.980 3.980 . 0 0 "[ ]" 1
1793 1 105 LYS H 1 105 LYS QE . . 7.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
1794 1 105 LYS HA 1 106 HIS H . . 3.700 3.478 3.478 3.478 . 0 0 "[ ]" 1
1795 1 105 LYS QE 1 106 HIS HD2 . . 7.000 4.968 4.968 4.968 . 0 0 "[ ]" 1
1796 1 106 HIS H 1 106 HIS HD2 . . 6.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
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