NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
400476 |
1uxc   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1uxc
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 749
_Distance_constraint_stats_list.Viol_count 104
_Distance_constraint_stats_list.Viol_total 20.293
_Distance_constraint_stats_list.Viol_max 0.480
_Distance_constraint_stats_list.Viol_rms 0.0852
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0271
_Distance_constraint_stats_list.Viol_average_violations_only 0.1951
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ ]"
1 2 LYS 0.020 0.020 1 0 "[ ]"
1 3 LEU 0.283 0.142 1 0 "[ ]"
1 4 ASP 0.293 0.142 1 0 "[ ]"
1 5 GLU 1.154 0.465 1 0 "[ ]"
1 6 ILE 0.594 0.216 1 0 "[ ]"
1 7 ALA 0.180 0.135 1 0 "[ ]"
1 8 ARG 0.163 0.163 1 0 "[ ]"
1 9 LEU 0.439 0.312 1 0 "[ ]"
1 10 ALA 0.080 0.080 1 0 "[ ]"
1 11 GLY 0.677 0.446 1 0 "[ ]"
1 12 VAL 0.609 0.446 1 0 "[ ]"
1 13 SER 0.122 0.091 1 0 "[ ]"
1 14 ARG 0.285 0.091 1 0 "[ ]"
1 15 THR 1.363 0.447 1 0 "[ ]"
1 16 THR 1.345 0.447 1 0 "[ ]"
1 17 ALA 0.653 0.382 1 0 "[ ]"
1 18 SER 0.984 0.306 1 0 "[ ]"
1 19 TYR 1.352 0.447 1 0 "[ ]"
1 20 VAL 1.630 0.414 1 0 "[ ]"
1 21 ILE 0.932 0.340 1 0 "[ ]"
1 22 ASN 0.444 0.284 1 0 "[ ]"
1 23 GLY 0.031 0.031 1 0 "[ ]"
1 24 LYS 1.250 0.385 1 0 "[ ]"
1 25 ALA 0.634 0.385 1 0 "[ ]"
1 26 LYS 0.752 0.386 1 0 "[ ]"
1 27 GLN 0.157 0.106 1 0 "[ ]"
1 28 TYR 0.986 0.377 1 0 "[ ]"
1 29 ARG 1.084 0.431 1 0 "[ ]"
1 30 VAL 0.815 0.362 1 0 "[ ]"
1 31 SER 0.626 0.423 1 0 "[ ]"
1 32 ASP 0.994 0.423 1 0 "[ ]"
1 33 LYS 1.325 0.456 1 0 "[ ]"
1 34 THR 0.282 0.146 1 0 "[ ]"
1 35 VAL 0.049 0.049 1 0 "[ ]"
1 36 GLU 0.517 0.250 1 0 "[ ]"
1 37 LYS 0.269 0.269 1 0 "[ ]"
1 38 VAL 0.392 0.269 1 0 "[ ]"
1 39 MET 1.174 0.284 1 0 "[ ]"
1 40 ALA 0.052 0.052 1 0 "[ ]"
1 41 VAL 0.620 0.284 1 0 "[ ]"
1 42 VAL 0.318 0.265 1 0 "[ ]"
1 43 ARG 1.551 0.480 1 0 "[ ]"
1 44 GLU 0.778 0.384 1 0 "[ ]"
1 45 HIS 1.620 0.401 1 0 "[ ]"
1 46 ASN 1.160 0.355 1 0 "[ ]"
1 47 TYR 0.623 0.355 1 0 "[ ]"
1 48 HIS 0.109 0.109 1 0 "[ ]"
1 49 PRO 0.109 0.109 1 0 "[ ]"
1 50 ASN 0.000 0.000 . 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 1 MET HA 1 2 LYS H 2.800 . 3.100 2.529 2.529 2.529 . 0 0 "[ ]" 1
2 1 1 MET HB2 1 2 LYS H 5.000 . 5.500 4.678 4.678 4.678 . 0 0 "[ ]" 1
3 1 1 MET HB2 1 6 ILE MD 5.000 . 6.500 4.733 4.733 4.733 . 0 0 "[ ]" 1
4 1 1 MET HB3 1 6 ILE MD 5.000 . 6.500 4.061 4.061 4.061 . 0 0 "[ ]" 1
5 1 1 MET ME 1 6 ILE MD 5.000 . 7.500 1.978 1.978 1.978 . 0 0 "[ ]" 1
6 1 1 MET ME 1 9 LEU MD1 3.300 . 5.700 2.222 2.222 2.222 . 0 0 "[ ]" 1
7 1 1 MET ME 1 41 VAL MG1 5.000 . 7.500 3.316 3.316 3.316 . 0 0 "[ ]" 1
8 1 1 MET ME 1 41 VAL MG2 3.300 . 5.700 3.785 3.785 3.785 . 0 0 "[ ]" 1
9 1 1 MET HG2 1 6 ILE MD 5.000 . 6.500 3.099 3.099 3.099 . 0 0 "[ ]" 1
10 1 1 MET HG2 1 6 ILE HG13 5.000 . 5.500 5.367 5.367 5.367 . 0 0 "[ ]" 1
11 1 1 MET HG3 1 6 ILE MD 5.000 . 6.500 1.971 1.971 1.971 . 0 0 "[ ]" 1
12 1 1 MET HG3 1 6 ILE HG13 5.000 . 5.500 3.744 3.744 3.744 . 0 0 "[ ]" 1
13 1 2 LYS H 1 2 LYS HA 2.800 . 3.100 2.927 2.927 2.927 . 0 0 "[ ]" 1
14 1 2 LYS H 1 2 LYS HB2 3.300 . 3.700 2.329 2.329 2.329 . 0 0 "[ ]" 1
15 1 2 LYS H 1 2 LYS HB3 3.300 . 3.700 3.597 3.597 3.597 . 0 0 "[ ]" 1
16 1 2 LYS H 1 2 LYS QD 5.000 . 6.500 3.117 3.117 3.117 . 0 0 "[ ]" 1
17 1 2 LYS HA 1 3 LEU H 2.800 . 3.100 2.498 2.498 2.498 . 0 0 "[ ]" 1
18 1 2 LYS HA 1 4 ASP H 5.000 . 5.500 4.656 4.656 4.656 . 0 0 "[ ]" 1
19 1 2 LYS HA 1 47 TYR QD 5.000 . 7.500 4.964 4.964 4.964 . 0 0 "[ ]" 1
20 1 2 LYS HA 1 47 TYR QE 3.300 . 5.700 3.675 3.675 3.675 . 0 0 "[ ]" 1
21 1 2 LYS HB2 1 3 LEU H 3.300 . 3.700 3.622 3.622 3.622 . 0 0 "[ ]" 1
22 1 2 LYS HB2 1 4 ASP H 3.300 . 3.700 3.720 3.720 3.720 0.020 1 0 "[ ]" 1
23 1 2 LYS HB3 1 4 ASP H 3.300 . 3.700 2.945 2.945 2.945 . 0 0 "[ ]" 1
24 1 3 LEU H 1 3 LEU HA 2.800 . 3.100 2.852 2.852 2.852 . 0 0 "[ ]" 1
25 1 3 LEU H 1 3 LEU HB2 2.800 . 3.100 2.073 2.073 2.073 . 0 0 "[ ]" 1
26 1 3 LEU H 1 3 LEU HB3 2.800 . 3.100 3.166 3.166 3.166 0.066 1 0 "[ ]" 1
27 1 3 LEU H 1 3 LEU MD1 5.000 . 6.500 4.066 4.066 4.066 . 0 0 "[ ]" 1
28 1 3 LEU H 1 3 LEU MD2 5.000 . 6.500 4.219 4.219 4.219 . 0 0 "[ ]" 1
29 1 3 LEU H 1 3 LEU HG 3.300 . 3.700 3.761 3.761 3.761 0.061 1 0 "[ ]" 1
30 1 3 LEU H 1 4 ASP H 3.300 . 3.700 2.777 2.777 2.777 . 0 0 "[ ]" 1
31 1 3 LEU HA 1 3 LEU HB2 2.800 . 3.100 2.805 2.805 2.805 . 0 0 "[ ]" 1
32 1 3 LEU HA 1 3 LEU HB3 2.800 . 3.100 2.911 2.911 2.911 . 0 0 "[ ]" 1
33 1 3 LEU HA 1 4 ASP H 3.300 . 3.700 3.578 3.578 3.578 . 0 0 "[ ]" 1
34 1 3 LEU HA 1 6 ILE H 3.300 . 3.700 3.714 3.714 3.714 0.014 1 0 "[ ]" 1
35 1 3 LEU HA 1 6 ILE MD 3.300 . 4.700 4.127 4.127 4.127 . 0 0 "[ ]" 1
36 1 3 LEU HA 1 6 ILE HG12 5.000 . 5.500 3.907 3.907 3.907 . 0 0 "[ ]" 1
37 1 3 LEU HA 1 6 ILE MG 3.300 . 4.700 3.869 3.869 3.869 . 0 0 "[ ]" 1
38 1 3 LEU HA 1 7 ALA H 5.000 . 5.500 4.445 4.445 4.445 . 0 0 "[ ]" 1
39 1 3 LEU HA 1 47 TYR QD 5.000 . 7.500 3.655 3.655 3.655 . 0 0 "[ ]" 1
40 1 3 LEU HB2 1 4 ASP H 2.800 . 3.100 3.242 3.242 3.242 0.142 1 0 "[ ]" 1
41 1 3 LEU HB3 1 4 ASP H 2.800 . 3.100 2.675 2.675 2.675 . 0 0 "[ ]" 1
42 1 3 LEU MD1 1 4 ASP H 5.000 . 6.500 4.577 4.577 4.577 . 0 0 "[ ]" 1
43 1 3 LEU MD1 1 6 ILE HB 5.000 . 6.500 5.424 5.424 5.424 . 0 0 "[ ]" 1
44 1 3 LEU MD1 1 7 ALA MB 5.000 . 7.500 5.022 5.022 5.022 . 0 0 "[ ]" 1
45 1 3 LEU MD1 1 14 ARG HA 5.000 . 6.500 4.090 4.090 4.090 . 0 0 "[ ]" 1
46 1 3 LEU MD1 1 14 ARG QD 5.000 . 7.500 4.422 4.422 4.422 . 0 0 "[ ]" 1
47 1 3 LEU MD1 1 14 ARG HE 3.300 . 5.700 3.729 3.729 3.729 . 0 0 "[ ]" 1
48 1 3 LEU MD1 1 14 ARG HG2 5.000 . 6.500 3.284 3.284 3.284 . 0 0 "[ ]" 1
49 1 3 LEU MD1 1 17 ALA H 5.000 . 6.500 5.259 5.259 5.259 . 0 0 "[ ]" 1
50 1 3 LEU MD1 1 18 SER H 3.300 . 4.700 3.592 3.592 3.592 . 0 0 "[ ]" 1
51 1 3 LEU MD1 1 18 SER HB2 3.300 . 4.700 2.236 2.236 2.236 . 0 0 "[ ]" 1
52 1 3 LEU MD1 1 18 SER HB3 3.300 . 4.700 3.556 3.556 3.556 . 0 0 "[ ]" 1
53 1 3 LEU MD1 1 47 TYR QD 5.000 . 8.500 5.498 5.498 5.498 . 0 0 "[ ]" 1
54 1 3 LEU MD2 1 4 ASP H 5.000 . 6.500 4.030 4.030 4.030 . 0 0 "[ ]" 1
55 1 3 LEU MD2 1 6 ILE HB 3.300 . 4.700 2.799 2.799 2.799 . 0 0 "[ ]" 1
56 1 3 LEU MD2 1 7 ALA MB 5.000 . 7.500 3.285 3.285 3.285 . 0 0 "[ ]" 1
57 1 3 LEU MD2 1 14 ARG HA 3.300 . 4.700 2.981 2.981 2.981 . 0 0 "[ ]" 1
58 1 3 LEU MD2 1 14 ARG QD 5.000 . 7.500 5.145 5.145 5.145 . 0 0 "[ ]" 1
59 1 3 LEU MD2 1 14 ARG HG2 5.000 . 6.500 3.450 3.450 3.450 . 0 0 "[ ]" 1
60 1 3 LEU MD2 1 17 ALA H 5.000 . 6.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
61 1 3 LEU MD2 1 18 SER H 3.300 . 4.700 2.343 2.343 2.343 . 0 0 "[ ]" 1
62 1 3 LEU MD2 1 18 SER HB2 3.300 . 4.700 2.298 2.298 2.298 . 0 0 "[ ]" 1
63 1 3 LEU MD2 1 18 SER HB3 3.300 . 4.700 3.661 3.661 3.661 . 0 0 "[ ]" 1
64 1 3 LEU MD2 1 47 TYR QD 5.000 . 8.500 3.947 3.947 3.947 . 0 0 "[ ]" 1
65 1 3 LEU HG 1 4 ASP H 5.000 . 5.400 5.019 5.019 5.019 . 0 0 "[ ]" 1
66 1 4 ASP H 1 4 ASP HA 2.800 . 3.100 2.817 2.817 2.817 . 0 0 "[ ]" 1
67 1 4 ASP H 1 4 ASP HB2 2.800 . 3.100 2.284 2.284 2.284 . 0 0 "[ ]" 1
68 1 4 ASP H 1 4 ASP HB3 2.800 . 3.100 2.967 2.967 2.967 . 0 0 "[ ]" 1
69 1 4 ASP H 1 5 GLU H 2.800 . 3.100 2.993 2.993 2.993 . 0 0 "[ ]" 1
70 1 4 ASP H 1 6 ILE H 5.000 . 5.500 4.291 4.291 4.291 . 0 0 "[ ]" 1
71 1 4 ASP HA 1 4 ASP HB2 2.800 . 3.100 2.632 2.632 2.632 . 0 0 "[ ]" 1
72 1 4 ASP HA 1 4 ASP HB3 2.600 . 2.900 2.984 2.984 2.984 0.084 1 0 "[ ]" 1
73 1 4 ASP HA 1 5 GLU H 3.300 . 3.700 3.619 3.619 3.619 . 0 0 "[ ]" 1
74 1 4 ASP HA 1 6 ILE H 5.000 . 5.500 4.429 4.429 4.429 . 0 0 "[ ]" 1
75 1 4 ASP HA 1 7 ALA H 3.300 . 3.700 3.461 3.461 3.461 . 0 0 "[ ]" 1
76 1 4 ASP HA 1 7 ALA MB 2.800 . 4.100 2.540 2.540 2.540 . 0 0 "[ ]" 1
77 1 4 ASP HA 1 14 ARG HE 5.000 . 6.500 4.827 4.827 4.827 . 0 0 "[ ]" 1
78 1 4 ASP HB2 1 5 GLU H 3.300 . 3.700 3.693 3.693 3.693 . 0 0 "[ ]" 1
79 1 4 ASP HB2 1 5 GLU HA 5.000 . 5.500 5.546 5.546 5.546 0.046 1 0 "[ ]" 1
80 1 4 ASP HB2 1 7 ALA MB 5.000 . 6.500 4.856 4.856 4.856 . 0 0 "[ ]" 1
81 1 4 ASP HB2 1 14 ARG HE 5.000 . 6.500 3.812 3.812 3.812 . 0 0 "[ ]" 1
82 1 4 ASP HB3 1 5 GLU H 3.300 . 3.700 2.589 2.589 2.589 . 0 0 "[ ]" 1
83 1 4 ASP HB3 1 5 GLU HA 5.000 . 5.500 4.027 4.027 4.027 . 0 0 "[ ]" 1
84 1 4 ASP HB3 1 7 ALA MB 5.000 . 6.500 4.835 4.835 4.835 . 0 0 "[ ]" 1
85 1 4 ASP HB3 1 14 ARG HE 5.000 . 6.500 5.547 5.547 5.547 . 0 0 "[ ]" 1
86 1 5 GLU H 1 5 GLU HA 2.800 . 3.100 2.834 2.834 2.834 . 0 0 "[ ]" 1
87 1 5 GLU H 1 5 GLU HB2 2.800 . 3.100 3.565 3.565 3.565 0.465 1 0 "[ ]" 1
88 1 5 GLU H 1 5 GLU HB3 2.100 . 2.400 2.434 2.434 2.434 0.034 1 0 "[ ]" 1
89 1 5 GLU H 1 5 GLU QG 2.100 . 3.400 2.180 2.180 2.180 . 0 0 "[ ]" 1
90 1 5 GLU H 1 6 ILE H 2.800 . 3.100 2.665 2.665 2.665 . 0 0 "[ ]" 1
91 1 5 GLU H 1 7 ALA H 5.000 . 5.500 4.067 4.067 4.067 . 0 0 "[ ]" 1
92 1 5 GLU HA 1 5 GLU HB2 2.100 . 2.400 2.395 2.395 2.395 . 0 0 "[ ]" 1
93 1 5 GLU HA 1 5 GLU HB3 2.100 . 2.400 2.448 2.448 2.448 0.048 1 0 "[ ]" 1
94 1 5 GLU HA 1 5 GLU QG 2.100 . 3.400 3.351 3.351 3.351 . 0 0 "[ ]" 1
95 1 5 GLU HA 1 6 ILE H 3.300 . 3.700 3.501 3.501 3.501 . 0 0 "[ ]" 1
96 1 5 GLU HA 1 7 ALA H 5.000 . 5.500 4.087 4.087 4.087 . 0 0 "[ ]" 1
97 1 5 GLU HA 1 8 ARG H 3.300 . 3.700 3.177 3.177 3.177 . 0 0 "[ ]" 1
98 1 5 GLU HA 1 8 ARG HA 5.000 . 5.500 5.331 5.331 5.331 . 0 0 "[ ]" 1
99 1 5 GLU HA 1 8 ARG QB 2.800 . 4.100 2.629 2.629 2.629 . 0 0 "[ ]" 1
100 1 5 GLU HA 1 8 ARG HD2 5.000 . 5.500 3.680 3.680 3.680 . 0 0 "[ ]" 1
101 1 5 GLU HA 1 8 ARG HD3 5.000 . 5.500 2.875 2.875 2.875 . 0 0 "[ ]" 1
102 1 5 GLU QB 1 47 TYR QD 5.000 . 8.500 7.134 7.134 7.134 . 0 0 "[ ]" 1
103 1 5 GLU HB2 1 6 ILE H 3.300 . 3.700 3.864 3.864 3.864 0.164 1 0 "[ ]" 1
104 1 5 GLU HB2 1 7 ALA H 5.000 . 5.500 5.546 5.546 5.546 0.046 1 0 "[ ]" 1
105 1 5 GLU HB3 1 6 ILE H 3.300 . 3.700 3.916 3.916 3.916 0.216 1 0 "[ ]" 1
106 1 5 GLU HB3 1 7 ALA H 5.000 . 5.500 5.635 5.635 5.635 0.135 1 0 "[ ]" 1
107 1 5 GLU QG 1 6 ILE H 3.300 . 4.700 2.244 2.244 2.244 . 0 0 "[ ]" 1
108 1 5 GLU QG 1 7 ALA H 5.000 . 6.500 4.392 4.392 4.392 . 0 0 "[ ]" 1
109 1 5 GLU HG2 1 47 TYR QD 5.000 . 7.500 5.917 5.917 5.917 . 0 0 "[ ]" 1
110 1 5 GLU HG3 1 47 TYR QD 5.000 . 7.500 5.848 5.848 5.848 . 0 0 "[ ]" 1
111 1 6 ILE H 1 6 ILE HA 2.800 . 3.100 2.860 2.860 2.860 . 0 0 "[ ]" 1
112 1 6 ILE H 1 6 ILE HB 2.100 . 2.400 2.462 2.462 2.462 0.062 1 0 "[ ]" 1
113 1 6 ILE H 1 6 ILE MD 3.300 . 4.700 3.758 3.758 3.758 . 0 0 "[ ]" 1
114 1 6 ILE H 1 6 ILE HG12 2.800 . 3.100 2.147 2.147 2.147 . 0 0 "[ ]" 1
115 1 6 ILE H 1 6 ILE HG13 2.800 . 3.100 2.958 2.958 2.958 . 0 0 "[ ]" 1
116 1 6 ILE H 1 6 ILE MG 2.800 . 4.100 3.753 3.753 3.753 . 0 0 "[ ]" 1
117 1 6 ILE H 1 7 ALA H 2.800 . 3.100 2.591 2.591 2.591 . 0 0 "[ ]" 1
118 1 6 ILE H 1 7 ALA MB 5.000 . 6.500 4.237 4.237 4.237 . 0 0 "[ ]" 1
119 1 6 ILE H 1 8 ARG H 5.000 . 5.500 4.130 4.130 4.130 . 0 0 "[ ]" 1
120 1 6 ILE HA 1 7 ALA H 3.300 . 3.700 3.540 3.540 3.540 . 0 0 "[ ]" 1
121 1 6 ILE HA 1 8 ARG H 5.000 . 5.500 4.540 4.540 4.540 . 0 0 "[ ]" 1
122 1 6 ILE HA 1 9 LEU H 3.300 . 3.700 3.734 3.734 3.734 0.034 1 0 "[ ]" 1
123 1 6 ILE HA 1 9 LEU HB2 5.000 . 5.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
124 1 6 ILE HA 1 9 LEU HB3 3.300 . 3.700 3.793 3.793 3.793 0.093 1 0 "[ ]" 1
125 1 6 ILE HB 1 7 ALA H 2.800 . 3.100 2.600 2.600 2.600 . 0 0 "[ ]" 1
126 1 6 ILE MD 1 7 ALA H 5.000 . 6.500 4.947 4.947 4.947 . 0 0 "[ ]" 1
127 1 6 ILE MD 1 17 ALA MB 5.000 . 7.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
128 1 6 ILE MD 1 21 ILE MD 3.300 . 5.700 2.949 2.949 2.949 . 0 0 "[ ]" 1
129 1 6 ILE MD 1 21 ILE MG 3.300 . 5.700 3.643 3.643 3.643 . 0 0 "[ ]" 1
130 1 6 ILE MD 1 42 VAL H 5.000 . 6.500 4.093 4.093 4.093 . 0 0 "[ ]" 1
131 1 6 ILE MD 1 42 VAL HA 3.300 . 4.700 2.472 2.472 2.472 . 0 0 "[ ]" 1
132 1 6 ILE MD 1 42 VAL QG 2.800 . 6.500 2.455 2.455 2.455 . 0 0 "[ ]" 1
133 1 6 ILE MD 1 45 HIS HD2 5.000 . 6.500 3.357 3.357 3.357 . 0 0 "[ ]" 1
134 1 6 ILE MD 1 47 TYR H 5.000 . 6.500 3.628 3.628 3.628 . 0 0 "[ ]" 1
135 1 6 ILE MD 1 47 TYR QB 3.300 . 5.700 1.790 1.790 1.790 0.010 1 0 "[ ]" 1
136 1 6 ILE MD 1 47 TYR QD 3.300 . 6.700 1.866 1.866 1.866 . 0 0 "[ ]" 1
137 1 6 ILE MD 1 47 TYR QE 5.000 . 8.500 3.707 3.707 3.707 . 0 0 "[ ]" 1
138 1 6 ILE HG12 1 7 ALA H 5.000 . 5.500 4.272 4.272 4.272 . 0 0 "[ ]" 1
139 1 6 ILE HG13 1 7 ALA H 5.000 . 5.500 4.540 4.540 4.540 . 0 0 "[ ]" 1
140 1 6 ILE MG 1 7 ALA H 3.300 . 4.700 3.526 3.526 3.526 . 0 0 "[ ]" 1
141 1 6 ILE MG 1 7 ALA HA 3.300 . 4.700 3.586 3.586 3.586 . 0 0 "[ ]" 1
142 1 6 ILE MG 1 7 ALA MB 5.000 . 7.500 4.145 4.145 4.145 . 0 0 "[ ]" 1
143 1 6 ILE MG 1 17 ALA MB 3.300 . 5.700 2.422 2.422 2.422 . 0 0 "[ ]" 1
144 1 6 ILE MG 1 21 ILE MD 2.800 . 5.100 2.011 2.011 2.011 . 0 0 "[ ]" 1
145 1 6 ILE MG 1 21 ILE MG 3.300 . 5.700 3.761 3.761 3.761 . 0 0 "[ ]" 1
146 1 6 ILE MG 1 38 VAL MG1 3.300 . 5.700 2.823 2.823 2.823 . 0 0 "[ ]" 1
147 1 6 ILE MG 1 41 VAL H 5.000 . 6.500 4.864 4.864 4.864 . 0 0 "[ ]" 1
148 1 6 ILE MG 1 41 VAL HB 3.300 . 4.700 4.041 4.041 4.041 . 0 0 "[ ]" 1
149 1 6 ILE MG 1 41 VAL MG1 2.800 . 5.100 1.854 1.854 1.854 . 0 0 "[ ]" 1
150 1 6 ILE MG 1 42 VAL H 5.000 . 6.500 3.334 3.334 3.334 . 0 0 "[ ]" 1
151 1 6 ILE MG 1 42 VAL HA 5.000 . 6.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
152 1 6 ILE MG 1 42 VAL QG 2.800 . 6.500 1.859 1.859 1.859 . 0 0 "[ ]" 1
153 1 6 ILE MG 1 47 TYR H 5.000 . 6.500 5.274 5.274 5.274 . 0 0 "[ ]" 1
154 1 6 ILE MG 1 47 TYR QB 5.000 . 7.500 3.494 3.494 3.494 . 0 0 "[ ]" 1
155 1 6 ILE MG 1 47 TYR QD 5.000 . 8.500 2.773 2.773 2.773 . 0 0 "[ ]" 1
156 1 6 ILE MG 1 47 TYR QE 5.000 . 8.500 4.078 4.078 4.078 . 0 0 "[ ]" 1
157 1 7 ALA H 1 7 ALA HA 2.800 . 3.100 2.888 2.888 2.888 . 0 0 "[ ]" 1
158 1 7 ALA H 1 7 ALA MB 2.100 . 3.400 2.167 2.167 2.167 . 0 0 "[ ]" 1
159 1 7 ALA H 1 8 ARG H 2.800 . 3.100 2.580 2.580 2.580 . 0 0 "[ ]" 1
160 1 7 ALA H 1 9 LEU H 5.000 . 5.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
161 1 7 ALA HA 1 8 ARG H 3.300 . 3.700 3.558 3.558 3.558 . 0 0 "[ ]" 1
162 1 7 ALA HA 1 10 ALA H 3.300 . 3.700 3.659 3.659 3.659 . 0 0 "[ ]" 1
163 1 7 ALA HA 1 10 ALA MB 3.300 . 4.700 2.745 2.745 2.745 . 0 0 "[ ]" 1
164 1 7 ALA HA 1 11 GLY H 5.000 . 5.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
165 1 7 ALA MB 1 8 ARG H 2.100 . 3.400 2.636 2.636 2.636 . 0 0 "[ ]" 1
166 1 7 ALA MB 1 12 VAL H 5.000 . 6.500 3.298 3.298 3.298 . 0 0 "[ ]" 1
167 1 7 ALA MB 1 12 VAL MG2 2.800 . 5.100 2.592 2.592 2.592 . 0 0 "[ ]" 1
168 1 7 ALA MB 1 13 SER HA 3.300 . 4.700 2.755 2.755 2.755 . 0 0 "[ ]" 1
169 1 7 ALA MB 1 14 ARG H 3.300 . 4.700 3.406 3.406 3.406 . 0 0 "[ ]" 1
170 1 7 ALA MB 1 14 ARG HA 2.800 . 4.100 2.722 2.722 2.722 . 0 0 "[ ]" 1
171 1 7 ALA MB 1 17 ALA MB 2.100 . 4.400 1.941 1.941 1.941 . 0 0 "[ ]" 1
172 1 8 ARG H 1 8 ARG HA 2.800 . 3.100 2.903 2.903 2.903 . 0 0 "[ ]" 1
173 1 8 ARG H 1 8 ARG QB 2.100 . 3.400 2.409 2.409 2.409 . 0 0 "[ ]" 1
174 1 8 ARG H 1 8 ARG HG2 3.300 . 3.700 3.679 3.679 3.679 . 0 0 "[ ]" 1
175 1 8 ARG H 1 8 ARG HG3 3.300 . 3.700 2.342 2.342 2.342 . 0 0 "[ ]" 1
176 1 8 ARG H 1 9 LEU H 2.800 . 3.100 2.565 2.565 2.565 . 0 0 "[ ]" 1
177 1 8 ARG HA 1 8 ARG QB 2.100 . 3.400 2.404 2.404 2.404 . 0 0 "[ ]" 1
178 1 8 ARG HA 1 11 GLY H 3.300 . 3.700 3.668 3.668 3.668 . 0 0 "[ ]" 1
179 1 8 ARG HA 1 12 VAL H 3.300 . 3.700 3.863 3.863 3.863 0.163 1 0 "[ ]" 1
180 1 9 LEU H 1 9 LEU HA 2.800 . 3.100 2.840 2.840 2.840 . 0 0 "[ ]" 1
181 1 9 LEU H 1 9 LEU HB2 2.800 . 3.100 2.076 2.076 2.076 . 0 0 "[ ]" 1
182 1 9 LEU H 1 9 LEU HB3 2.800 . 3.100 3.412 3.412 3.412 0.312 1 0 "[ ]" 1
183 1 9 LEU H 1 9 LEU MD1 3.300 . 4.700 3.453 3.453 3.453 . 0 0 "[ ]" 1
184 1 9 LEU H 1 9 LEU MD2 3.300 . 4.700 4.066 4.066 4.066 . 0 0 "[ ]" 1
185 1 9 LEU MD1 1 45 HIS HD2 5.000 . 6.500 3.812 3.812 3.812 . 0 0 "[ ]" 1
186 1 9 LEU MD1 1 45 HIS HE1 5.000 . 6.500 2.717 2.717 2.717 . 0 0 "[ ]" 1
187 1 9 LEU MD2 1 45 HIS HD2 5.000 . 6.500 4.613 4.613 4.613 . 0 0 "[ ]" 1
188 1 9 LEU MD2 1 45 HIS HE1 5.000 . 6.500 3.406 3.406 3.406 . 0 0 "[ ]" 1
189 1 10 ALA H 1 10 ALA HA 2.800 . 3.100 2.924 2.924 2.924 . 0 0 "[ ]" 1
190 1 10 ALA H 1 10 ALA MB 2.100 . 3.400 2.249 2.249 2.249 . 0 0 "[ ]" 1
191 1 10 ALA H 1 11 GLY H 2.100 . 2.400 2.480 2.480 2.480 0.080 1 0 "[ ]" 1
192 1 10 ALA H 1 41 VAL MG1 2.800 . 4.100 2.933 2.933 2.933 . 0 0 "[ ]" 1
193 1 10 ALA HA 1 11 GLY H 3.300 . 3.700 3.576 3.576 3.576 . 0 0 "[ ]" 1
194 1 10 ALA HA 1 37 LYS QD 5.000 . 6.500 5.514 5.514 5.514 . 0 0 "[ ]" 1
195 1 10 ALA HA 1 37 LYS QE 5.000 . 6.500 5.359 5.359 5.359 . 0 0 "[ ]" 1
196 1 10 ALA HA 1 37 LYS QG 5.000 . 6.500 3.827 3.827 3.827 . 0 0 "[ ]" 1
197 1 10 ALA HA 1 41 VAL HA 5.000 . 5.500 5.300 5.300 5.300 . 0 0 "[ ]" 1
198 1 10 ALA HA 1 41 VAL MG1 2.800 . 4.100 3.405 3.405 3.405 . 0 0 "[ ]" 1
199 1 10 ALA HA 1 41 VAL MG2 5.000 . 6.500 2.452 2.452 2.452 . 0 0 "[ ]" 1
200 1 10 ALA MB 1 11 GLY H 2.800 . 4.100 2.341 2.341 2.341 . 0 0 "[ ]" 1
201 1 10 ALA MB 1 12 VAL H 3.300 . 4.700 3.397 3.397 3.397 . 0 0 "[ ]" 1
202 1 10 ALA MB 1 41 VAL H 5.000 . 6.500 3.745 3.745 3.745 . 0 0 "[ ]" 1
203 1 10 ALA MB 1 41 VAL MG1 2.800 . 5.100 1.982 1.982 1.982 . 0 0 "[ ]" 1
204 1 10 ALA MB 1 41 VAL MG2 2.800 . 5.100 2.899 2.899 2.899 . 0 0 "[ ]" 1
205 1 11 GLY H 1 11 GLY HA2 2.100 . 2.400 2.480 2.480 2.480 0.080 1 0 "[ ]" 1
206 1 11 GLY H 1 11 GLY HA3 2.600 . 2.900 2.971 2.971 2.971 0.071 1 0 "[ ]" 1
207 1 11 GLY H 1 12 VAL H 2.800 . 3.100 2.164 2.164 2.164 . 0 0 "[ ]" 1
208 1 11 GLY H 1 12 VAL MG1 5.000 . 6.500 3.681 3.681 3.681 . 0 0 "[ ]" 1
209 1 11 GLY H 1 12 VAL MG2 5.000 . 6.500 3.518 3.518 3.518 . 0 0 "[ ]" 1
210 1 11 GLY HA2 1 12 VAL H 2.800 . 3.100 2.781 2.781 2.781 . 0 0 "[ ]" 1
211 1 11 GLY HA3 1 12 VAL H 2.800 . 3.100 3.546 3.546 3.546 0.446 1 0 "[ ]" 1
212 1 12 VAL H 1 12 VAL MG1 3.300 . 4.700 2.981 2.981 2.981 . 0 0 "[ ]" 1
213 1 12 VAL H 1 12 VAL MG2 2.100 . 3.400 2.560 2.560 2.560 . 0 0 "[ ]" 1
214 1 12 VAL H 1 13 SER H 5.000 . 5.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
215 1 12 VAL HA 1 12 VAL HB 2.800 . 3.100 2.397 2.397 2.397 . 0 0 "[ ]" 1
216 1 12 VAL HA 1 12 VAL MG1 2.800 . 4.100 2.466 2.466 2.466 . 0 0 "[ ]" 1
217 1 12 VAL HA 1 12 VAL MG2 3.300 . 4.700 3.256 3.256 3.256 . 0 0 "[ ]" 1
218 1 12 VAL HB 1 13 SER H 2.800 . 3.100 1.998 1.998 1.998 . 0 0 "[ ]" 1
219 1 12 VAL HB 1 16 THR H 5.000 . 5.500 4.619 4.619 4.619 . 0 0 "[ ]" 1
220 1 12 VAL HB 1 16 THR MG 2.800 . 4.100 2.959 2.959 2.959 . 0 0 "[ ]" 1
221 1 12 VAL MG1 1 13 SER H 3.300 . 4.700 3.626 3.626 3.626 . 0 0 "[ ]" 1
222 1 12 VAL MG1 1 16 THR H 5.000 . 6.500 5.643 5.643 5.643 . 0 0 "[ ]" 1
223 1 12 VAL MG1 1 16 THR MG 2.800 . 5.100 3.322 3.322 3.322 . 0 0 "[ ]" 1
224 1 12 VAL MG1 1 17 ALA MB 3.300 . 5.700 3.806 3.806 3.806 . 0 0 "[ ]" 1
225 1 12 VAL MG2 1 13 SER H 3.300 . 4.700 2.017 2.017 2.017 . 0 0 "[ ]" 1
226 1 12 VAL MG2 1 16 THR H 5.000 . 6.500 3.780 3.780 3.780 . 0 0 "[ ]" 1
227 1 12 VAL MG2 1 16 THR HA 3.300 . 4.700 4.057 4.057 4.057 . 0 0 "[ ]" 1
228 1 12 VAL MG2 1 17 ALA H 3.300 . 4.700 2.188 2.188 2.188 . 0 0 "[ ]" 1
229 1 12 VAL MG2 1 17 ALA HA 5.000 . 6.500 2.137 2.137 2.137 . 0 0 "[ ]" 1
230 1 12 VAL MG2 1 17 ALA MB 2.800 . 5.100 1.933 1.933 1.933 . 0 0 "[ ]" 1
231 1 12 VAL MG2 1 38 VAL HA 5.000 . 6.500 4.435 4.435 4.435 . 0 0 "[ ]" 1
232 1 12 VAL MG2 1 38 VAL MG1 2.800 . 5.100 2.702 2.702 2.702 . 0 0 "[ ]" 1
233 1 13 SER H 1 13 SER HA 2.800 . 3.100 2.981 2.981 2.981 . 0 0 "[ ]" 1
234 1 13 SER H 1 13 SER HB2 3.300 . 3.700 2.865 2.865 2.865 . 0 0 "[ ]" 1
235 1 13 SER H 1 13 SER HB3 3.300 . 3.700 2.713 2.713 2.713 . 0 0 "[ ]" 1
236 1 13 SER H 1 14 ARG H 5.000 . 5.500 4.455 4.455 4.455 . 0 0 "[ ]" 1
237 1 13 SER H 1 16 THR H 5.000 . 5.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
238 1 13 SER H 1 17 ALA MB 3.300 . 4.700 3.964 3.964 3.964 . 0 0 "[ ]" 1
239 1 13 SER HA 1 14 ARG H 2.100 . 2.400 2.431 2.431 2.431 0.031 1 0 "[ ]" 1
240 1 13 SER HA 1 15 THR H 5.000 . 5.500 4.666 4.666 4.666 . 0 0 "[ ]" 1
241 1 13 SER HA 1 16 THR H 5.000 . 5.500 4.792 4.792 4.792 . 0 0 "[ ]" 1
242 1 13 SER HA 1 17 ALA MB 5.000 . 6.500 4.755 4.755 4.755 . 0 0 "[ ]" 1
243 1 13 SER HB2 1 14 ARG H 3.300 . 3.700 3.791 3.791 3.791 0.091 1 0 "[ ]" 1
244 1 13 SER HB3 1 14 ARG H 3.300 . 3.700 3.263 3.263 3.263 . 0 0 "[ ]" 1
245 1 14 ARG H 1 14 ARG HA 2.800 . 3.100 2.744 2.744 2.744 . 0 0 "[ ]" 1
246 1 14 ARG H 1 14 ARG HB2 2.800 . 3.100 2.096 2.096 2.096 . 0 0 "[ ]" 1
247 1 14 ARG H 1 14 ARG HB3 2.800 . 3.100 3.174 3.174 3.174 0.074 1 0 "[ ]" 1
248 1 14 ARG H 1 14 ARG QD 5.000 . 6.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
249 1 14 ARG H 1 14 ARG HE 5.000 . 6.500 6.368 6.368 6.368 . 0 0 "[ ]" 1
250 1 14 ARG H 1 15 THR H 3.300 . 3.700 3.100 3.100 3.100 . 0 0 "[ ]" 1
251 1 14 ARG H 1 17 ALA MB 5.000 . 6.500 4.887 4.887 4.887 . 0 0 "[ ]" 1
252 1 14 ARG HA 1 15 THR H 3.300 . 3.700 3.614 3.614 3.614 . 0 0 "[ ]" 1
253 1 14 ARG HA 1 17 ALA H 5.000 . 5.500 4.472 4.472 4.472 . 0 0 "[ ]" 1
254 1 14 ARG HB2 1 15 THR H 3.300 . 3.700 3.466 3.466 3.466 . 0 0 "[ ]" 1
255 1 14 ARG HB3 1 15 THR H 3.300 . 3.700 2.683 2.683 2.683 . 0 0 "[ ]" 1
256 1 14 ARG QD 1 15 THR H 5.000 . 6.500 4.649 4.649 4.649 . 0 0 "[ ]" 1
257 1 14 ARG HE 1 15 THR H 5.000 . 6.500 6.588 6.588 6.588 0.088 1 0 "[ ]" 1
258 1 14 ARG QG 1 15 THR H 5.000 . 6.500 4.280 4.280 4.280 . 0 0 "[ ]" 1
259 1 15 THR H 1 15 THR HA 2.800 . 3.100 2.934 2.934 2.934 . 0 0 "[ ]" 1
260 1 15 THR H 1 15 THR HB 2.800 . 3.100 3.342 3.342 3.342 0.242 1 0 "[ ]" 1
261 1 15 THR H 1 15 THR MG 3.300 . 4.700 3.561 3.561 3.561 . 0 0 "[ ]" 1
262 1 15 THR H 1 16 THR H 3.300 . 3.700 2.413 2.413 2.413 . 0 0 "[ ]" 1
263 1 15 THR HA 1 16 THR H 2.800 . 3.100 3.547 3.547 3.547 0.447 1 0 "[ ]" 1
264 1 15 THR HA 1 18 SER HB2 5.000 . 5.500 1.997 1.997 1.997 . 0 0 "[ ]" 1
265 1 15 THR HA 1 18 SER HB3 5.000 . 5.500 2.582 2.582 2.582 . 0 0 "[ ]" 1
266 1 15 THR HA 1 19 TYR QE 3.300 . 5.700 4.369 4.369 4.369 . 0 0 "[ ]" 1
267 1 15 THR HB 1 16 THR H 3.300 . 3.700 3.086 3.086 3.086 . 0 0 "[ ]" 1
268 1 15 THR HB 1 16 THR HA 5.000 . 5.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
269 1 15 THR HB 1 17 ALA H 5.000 . 5.500 5.058 5.058 5.058 . 0 0 "[ ]" 1
270 1 15 THR HB 1 18 SER H 5.000 . 5.500 4.893 4.893 4.893 . 0 0 "[ ]" 1
271 1 15 THR HB 1 18 SER HB2 3.800 . 4.200 4.480 4.480 4.480 0.280 1 0 "[ ]" 1
272 1 15 THR HB 1 18 SER HB3 3.300 . 3.700 4.006 4.006 4.006 0.306 1 0 "[ ]" 1
273 1 15 THR HB 1 19 TYR H 5.000 . 5.500 4.881 4.881 4.881 . 0 0 "[ ]" 1
274 1 15 THR HB 1 19 TYR QE 5.000 . 7.500 2.683 2.683 2.683 . 0 0 "[ ]" 1
275 1 15 THR MG 1 16 THR H 3.300 . 4.700 4.245 4.245 4.245 . 0 0 "[ ]" 1
276 1 15 THR MG 1 19 TYR QD 3.300 . 6.700 3.721 3.721 3.721 . 0 0 "[ ]" 1
277 1 15 THR MG 1 19 TYR QE 2.800 . 6.100 2.774 2.774 2.774 . 0 0 "[ ]" 1
278 1 16 THR H 1 16 THR HA 2.800 . 3.100 2.821 2.821 2.821 . 0 0 "[ ]" 1
279 1 16 THR H 1 16 THR HB 2.800 . 3.100 3.361 3.361 3.361 0.261 1 0 "[ ]" 1
280 1 16 THR H 1 16 THR MG 2.800 . 4.100 3.473 3.473 3.473 . 0 0 "[ ]" 1
281 1 16 THR H 1 17 ALA H 2.800 . 3.100 2.698 2.698 2.698 . 0 0 "[ ]" 1
282 1 16 THR H 1 18 SER H 5.000 . 5.500 4.024 4.024 4.024 . 0 0 "[ ]" 1
283 1 16 THR HA 1 17 ALA H 2.800 . 3.100 3.482 3.482 3.482 0.382 1 0 "[ ]" 1
284 1 16 THR HA 1 18 SER H 5.000 . 5.500 4.352 4.352 4.352 . 0 0 "[ ]" 1
285 1 16 THR HA 1 19 TYR H 3.300 . 3.700 3.359 3.359 3.359 . 0 0 "[ ]" 1
286 1 16 THR HB 1 17 ALA H 5.000 . 5.500 2.951 2.951 2.951 . 0 0 "[ ]" 1
287 1 16 THR HB 1 18 SER H 5.000 . 5.500 5.067 5.067 5.067 . 0 0 "[ ]" 1
288 1 16 THR HB 1 19 TYR H 5.000 . 5.500 5.106 5.106 5.106 . 0 0 "[ ]" 1
289 1 16 THR HB 1 19 TYR QD 2.800 . 5.100 4.585 4.585 4.585 . 0 0 "[ ]" 1
290 1 16 THR HB 1 19 TYR QE 3.300 . 5.700 4.979 4.979 4.979 . 0 0 "[ ]" 1
291 1 16 THR HB 1 20 VAL H 5.000 . 5.500 5.754 5.754 5.754 0.254 1 0 "[ ]" 1
292 1 17 ALA H 1 17 ALA HA 2.800 . 3.100 2.889 2.889 2.889 . 0 0 "[ ]" 1
293 1 17 ALA H 1 17 ALA MB 2.100 . 3.400 2.125 2.125 2.125 . 0 0 "[ ]" 1
294 1 17 ALA H 1 19 TYR H 5.000 . 5.500 3.951 3.951 3.951 . 0 0 "[ ]" 1
295 1 17 ALA HA 1 18 SER H 3.300 . 3.700 3.514 3.514 3.514 . 0 0 "[ ]" 1
296 1 17 ALA HA 1 19 TYR H 3.300 . 3.700 3.972 3.972 3.972 0.272 1 0 "[ ]" 1
297 1 17 ALA HA 1 19 TYR QD 3.300 . 5.700 5.519 5.519 5.519 . 0 0 "[ ]" 1
298 1 17 ALA MB 1 18 SER H 2.800 . 4.100 2.629 2.629 2.629 . 0 0 "[ ]" 1
299 1 17 ALA MB 1 38 VAL MG1 3.300 . 5.700 2.430 2.430 2.430 . 0 0 "[ ]" 1
300 1 17 ALA MB 1 38 VAL MG2 2.800 . 5.100 3.271 3.271 3.271 . 0 0 "[ ]" 1
301 1 18 SER H 1 18 SER HA 2.800 . 3.100 2.789 2.789 2.789 . 0 0 "[ ]" 1
302 1 18 SER H 1 18 SER HB2 2.100 . 2.400 2.165 2.165 2.165 . 0 0 "[ ]" 1
303 1 18 SER H 1 18 SER HB3 2.800 . 3.100 2.883 2.883 2.883 . 0 0 "[ ]" 1
304 1 18 SER H 1 19 TYR H 2.800 . 3.100 2.795 2.795 2.795 . 0 0 "[ ]" 1
305 1 18 SER H 1 19 TYR QD 5.000 . 7.500 4.598 4.598 4.598 . 0 0 "[ ]" 1
306 1 18 SER H 1 20 VAL H 5.000 . 5.500 4.406 4.406 4.406 . 0 0 "[ ]" 1
307 1 18 SER HA 1 19 TYR QD 5.000 . 7.500 4.995 4.995 4.995 . 0 0 "[ ]" 1
308 1 18 SER HA 1 19 TYR QE 5.000 . 7.500 6.563 6.563 6.563 . 0 0 "[ ]" 1
309 1 18 SER HA 1 21 ILE H 3.300 . 3.700 3.121 3.121 3.121 . 0 0 "[ ]" 1
310 1 18 SER HA 1 21 ILE HB 3.300 . 3.700 2.497 2.497 2.497 . 0 0 "[ ]" 1
311 1 18 SER HA 1 21 ILE MD 3.300 . 4.700 2.271 2.271 2.271 . 0 0 "[ ]" 1
312 1 18 SER HA 1 21 ILE HG12 3.300 . 3.700 3.856 3.856 3.856 0.156 1 0 "[ ]" 1
313 1 18 SER HA 1 21 ILE HG13 3.300 . 3.700 2.257 2.257 2.257 . 0 0 "[ ]" 1
314 1 18 SER HA 1 21 ILE MG 3.300 . 4.700 3.848 3.848 3.848 . 0 0 "[ ]" 1
315 1 18 SER HA 1 22 ASN HD21 5.000 . 5.500 3.848 3.848 3.848 . 0 0 "[ ]" 1
316 1 18 SER HA 1 22 ASN HD22 5.000 . 5.500 5.200 5.200 5.200 . 0 0 "[ ]" 1
317 1 18 SER HB2 1 19 TYR H 3.300 . 3.700 3.666 3.666 3.666 . 0 0 "[ ]" 1
318 1 18 SER HB2 1 19 TYR QD 5.000 . 7.500 4.499 4.499 4.499 . 0 0 "[ ]" 1
319 1 18 SER HB2 1 19 TYR QE 5.000 . 7.500 5.177 5.177 5.177 . 0 0 "[ ]" 1
320 1 18 SER HB2 1 20 VAL H 5.000 . 5.500 5.742 5.742 5.742 0.242 1 0 "[ ]" 1
321 1 18 SER HB3 1 22 ASN HD21 5.000 . 5.500 3.897 3.897 3.897 . 0 0 "[ ]" 1
322 1 18 SER HB3 1 22 ASN HD22 5.000 . 5.500 5.253 5.253 5.253 . 0 0 "[ ]" 1
323 1 19 TYR H 1 19 TYR HA 2.800 . 3.100 2.825 2.825 2.825 . 0 0 "[ ]" 1
324 1 19 TYR H 1 19 TYR HB2 2.800 . 3.100 2.478 2.478 2.478 . 0 0 "[ ]" 1
325 1 19 TYR H 1 19 TYR HB3 2.800 . 3.100 3.547 3.547 3.547 0.447 1 0 "[ ]" 1
326 1 19 TYR H 1 19 TYR QD 3.300 . 5.700 2.484 2.484 2.484 . 0 0 "[ ]" 1
327 1 19 TYR H 1 19 TYR QE 5.000 . 7.500 4.225 4.225 4.225 . 0 0 "[ ]" 1
328 1 19 TYR H 1 20 VAL H 2.800 . 3.100 2.628 2.628 2.628 . 0 0 "[ ]" 1
329 1 19 TYR HA 1 19 TYR QD 2.100 . 4.400 2.109 2.109 2.109 . 0 0 "[ ]" 1
330 1 19 TYR HA 1 19 TYR QE 3.300 . 5.700 4.387 4.387 4.387 . 0 0 "[ ]" 1
331 1 19 TYR HA 1 20 VAL H 3.300 . 3.700 3.511 3.511 3.511 . 0 0 "[ ]" 1
332 1 19 TYR HA 1 24 LYS HB2 3.300 . 3.700 2.706 2.706 2.706 . 0 0 "[ ]" 1
333 1 19 TYR HA 1 24 LYS HB3 3.300 . 3.700 3.737 3.737 3.737 0.037 1 0 "[ ]" 1
334 1 19 TYR HA 1 24 LYS QD 5.000 . 6.500 4.126 4.126 4.126 . 0 0 "[ ]" 1
335 1 19 TYR HA 1 24 LYS QG 5.000 . 6.500 4.682 4.682 4.682 . 0 0 "[ ]" 1
336 1 19 TYR HA 1 30 VAL MG1 5.000 . 6.500 5.543 5.543 5.543 . 0 0 "[ ]" 1
337 1 19 TYR HB2 1 20 VAL H 3.300 . 3.700 2.170 2.170 2.170 . 0 0 "[ ]" 1
338 1 19 TYR HB2 1 20 VAL HA 3.300 . 3.700 4.089 4.089 4.089 0.389 1 0 "[ ]" 1
339 1 19 TYR HB2 1 28 TYR QD 3.300 . 5.700 3.792 3.792 3.792 . 0 0 "[ ]" 1
340 1 19 TYR HB2 1 30 VAL MG1 5.000 . 6.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
341 1 19 TYR HB3 1 20 VAL H 2.800 . 3.100 3.307 3.307 3.307 0.207 1 0 "[ ]" 1
342 1 19 TYR HB3 1 20 VAL HA 5.000 . 5.500 4.243 4.243 4.243 . 0 0 "[ ]" 1
343 1 19 TYR HB3 1 28 TYR QD 3.300 . 5.700 2.309 2.309 2.309 . 0 0 "[ ]" 1
344 1 19 TYR HB3 1 30 VAL MG1 3.300 . 4.700 3.686 3.686 3.686 . 0 0 "[ ]" 1
345 1 19 TYR QD 1 20 VAL H 5.000 . 7.500 4.158 4.158 4.158 . 0 0 "[ ]" 1
346 1 19 TYR QD 1 24 LYS HA 5.000 . 7.500 6.501 6.501 6.501 . 0 0 "[ ]" 1
347 1 19 TYR QD 1 24 LYS HB3 3.300 . 5.700 4.716 4.716 4.716 . 0 0 "[ ]" 1
348 1 19 TYR QD 1 24 LYS QD 5.000 . 8.500 4.683 4.683 4.683 . 0 0 "[ ]" 1
349 1 19 TYR QD 1 24 LYS QG 5.000 . 8.500 5.802 5.802 5.802 . 0 0 "[ ]" 1
350 1 19 TYR QD 1 27 GLN H 5.000 . 7.500 6.619 6.619 6.619 . 0 0 "[ ]" 1
351 1 19 TYR QD 1 27 GLN QB 3.300 . 6.700 5.656 5.656 5.656 . 0 0 "[ ]" 1
352 1 19 TYR QD 1 28 TYR HA 5.000 . 7.500 5.488 5.488 5.488 . 0 0 "[ ]" 1
353 1 19 TYR QD 1 28 TYR HB2 3.300 . 5.700 3.032 3.032 3.032 . 0 0 "[ ]" 1
354 1 19 TYR QD 1 28 TYR HB3 3.300 . 5.700 3.437 3.437 3.437 . 0 0 "[ ]" 1
355 1 19 TYR QD 1 28 TYR QD 3.300 . 7.700 3.022 3.022 3.022 . 0 0 "[ ]" 1
356 1 19 TYR QD 1 28 TYR QE 5.000 . 9.500 2.925 2.925 2.925 . 0 0 "[ ]" 1
357 1 19 TYR QD 1 30 VAL MG1 2.100 . 5.400 1.854 1.854 1.854 . 0 0 "[ ]" 1
358 1 19 TYR QD 1 30 VAL MG2 5.000 . 8.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
359 1 19 TYR QE 1 27 GLN QB 5.000 . 8.500 6.170 6.170 6.170 . 0 0 "[ ]" 1
360 1 19 TYR QE 1 28 TYR HB2 5.000 . 7.500 3.584 3.584 3.584 . 0 0 "[ ]" 1
361 1 19 TYR QE 1 28 TYR HB3 3.300 . 5.700 2.743 2.743 2.743 . 0 0 "[ ]" 1
362 1 19 TYR QE 1 28 TYR QD 5.000 . 9.500 3.769 3.769 3.769 . 0 0 "[ ]" 1
363 1 19 TYR QE 1 28 TYR QE 5.000 . 9.500 3.929 3.929 3.929 . 0 0 "[ ]" 1
364 1 19 TYR QE 1 30 VAL MG1 3.300 . 6.700 2.901 2.901 2.901 . 0 0 "[ ]" 1
365 1 19 TYR QE 1 30 VAL MG2 5.000 . 8.500 4.349 4.349 4.349 . 0 0 "[ ]" 1
366 1 20 VAL H 1 20 VAL HA 2.100 . 2.400 2.814 2.814 2.814 0.414 1 0 "[ ]" 1
367 1 20 VAL H 1 20 VAL HB 2.800 . 3.100 2.198 2.198 2.198 . 0 0 "[ ]" 1
368 1 20 VAL H 1 20 VAL QG 2.100 . 4.800 2.639 2.639 2.639 . 0 0 "[ ]" 1
369 1 20 VAL H 1 21 ILE H 2.800 . 3.100 2.680 2.680 2.680 . 0 0 "[ ]" 1
370 1 20 VAL H 1 38 VAL HB 5.000 . 5.500 4.619 4.619 4.619 . 0 0 "[ ]" 1
371 1 20 VAL H 1 38 VAL MG1 5.000 . 6.500 3.081 3.081 3.081 . 0 0 "[ ]" 1
372 1 20 VAL H 1 38 VAL MG2 5.000 . 6.500 4.644 4.644 4.644 . 0 0 "[ ]" 1
373 1 20 VAL HA 1 21 ILE H 3.300 . 3.700 3.561 3.561 3.561 . 0 0 "[ ]" 1
374 1 20 VAL HA 1 23 GLY H 3.300 . 3.700 3.323 3.323 3.323 . 0 0 "[ ]" 1
375 1 20 VAL HA 1 24 LYS H 5.000 . 5.500 3.866 3.866 3.866 . 0 0 "[ ]" 1
376 1 20 VAL HA 1 38 VAL HB 5.000 . 5.500 4.805 4.805 4.805 . 0 0 "[ ]" 1
377 1 20 VAL HA 1 38 VAL MG1 3.300 . 4.700 4.113 4.113 4.113 . 0 0 "[ ]" 1
378 1 20 VAL HB 1 21 ILE H 2.800 . 3.100 2.870 2.870 2.870 . 0 0 "[ ]" 1
379 1 20 VAL HB 1 21 ILE HA 5.000 . 5.500 4.747 4.747 4.747 . 0 0 "[ ]" 1
380 1 20 VAL HB 1 38 VAL MG1 5.000 . 6.500 1.677 1.677 1.677 0.123 1 0 "[ ]" 1
381 1 20 VAL HB 1 38 VAL MG2 3.300 . 4.700 3.707 3.707 3.707 . 0 0 "[ ]" 1
382 1 20 VAL QG 1 21 ILE H 2.800 . 5.500 3.110 3.110 3.110 . 0 0 "[ ]" 1
383 1 20 VAL QG 1 21 ILE HA 3.300 . 6.100 3.332 3.332 3.332 . 0 0 "[ ]" 1
384 1 21 ILE H 1 21 ILE HA 2.800 . 3.100 2.830 2.830 2.830 . 0 0 "[ ]" 1
385 1 21 ILE H 1 21 ILE HB 2.100 . 2.400 2.740 2.740 2.740 0.340 1 0 "[ ]" 1
386 1 21 ILE H 1 21 ILE MD 3.300 . 4.700 3.589 3.589 3.589 . 0 0 "[ ]" 1
387 1 21 ILE H 1 21 ILE HG12 2.800 . 3.100 2.782 2.782 2.782 . 0 0 "[ ]" 1
388 1 21 ILE H 1 21 ILE HG13 2.800 . 3.100 1.873 1.873 1.873 . 0 0 "[ ]" 1
389 1 21 ILE H 1 21 ILE MG 2.800 . 4.100 3.729 3.729 3.729 . 0 0 "[ ]" 1
390 1 21 ILE H 1 22 ASN H 2.800 . 3.100 2.637 2.637 2.637 . 0 0 "[ ]" 1
391 1 21 ILE H 1 23 GLY H 5.000 . 5.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
392 1 21 ILE HA 1 21 ILE MD 2.800 . 4.100 3.759 3.759 3.759 . 0 0 "[ ]" 1
393 1 21 ILE HA 1 21 ILE HG12 2.800 . 3.100 2.573 2.573 2.573 . 0 0 "[ ]" 1
394 1 21 ILE HA 1 21 ILE HG13 2.800 . 3.100 3.323 3.323 3.323 0.223 1 0 "[ ]" 1
395 1 21 ILE HA 1 21 ILE MG 2.100 . 3.400 2.258 2.258 2.258 . 0 0 "[ ]" 1
396 1 21 ILE HA 1 22 ASN HA 5.000 . 5.500 4.819 4.819 4.819 . 0 0 "[ ]" 1
397 1 21 ILE HA 1 23 GLY H 5.000 . 5.500 4.136 4.136 4.136 . 0 0 "[ ]" 1
398 1 21 ILE HB 1 22 ASN H 2.800 . 3.100 2.497 2.497 2.497 . 0 0 "[ ]" 1
399 1 21 ILE MD 1 22 ASN H 5.000 . 6.500 4.487 4.487 4.487 . 0 0 "[ ]" 1
400 1 21 ILE MD 1 42 VAL QG 2.800 . 6.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
401 1 21 ILE MD 1 47 TYR QD 3.300 . 6.700 1.881 1.881 1.881 . 0 0 "[ ]" 1
402 1 21 ILE MD 1 47 TYR QE 2.800 . 6.100 2.074 2.074 2.074 . 0 0 "[ ]" 1
403 1 21 ILE HG12 1 22 ASN H 5.000 . 5.500 4.634 4.634 4.634 . 0 0 "[ ]" 1
404 1 21 ILE HG12 1 42 VAL QG 5.000 . 7.900 1.748 1.748 1.748 0.052 1 0 "[ ]" 1
405 1 21 ILE HG13 1 22 ASN H 3.300 . 3.600 3.760 3.760 3.760 0.160 1 0 "[ ]" 1
406 1 21 ILE MG 1 22 ASN H 3.300 . 4.700 3.711 3.711 3.711 . 0 0 "[ ]" 1
407 1 21 ILE MG 1 47 TYR QD 3.300 . 6.700 2.727 2.727 2.727 . 0 0 "[ ]" 1
408 1 21 ILE MG 1 47 TYR QE 2.800 . 6.100 3.148 3.148 3.148 . 0 0 "[ ]" 1
409 1 22 ASN H 1 22 ASN HB2 2.800 . 3.100 2.084 2.084 2.084 . 0 0 "[ ]" 1
410 1 22 ASN H 1 22 ASN HB3 2.800 . 3.100 3.384 3.384 3.384 0.284 1 0 "[ ]" 1
411 1 22 ASN H 1 22 ASN HD21 3.300 . 3.700 3.261 3.261 3.261 . 0 0 "[ ]" 1
412 1 22 ASN H 1 22 ASN HD22 5.000 . 5.500 4.578 4.578 4.578 . 0 0 "[ ]" 1
413 1 22 ASN H 1 23 GLY H 2.800 . 3.100 2.553 2.553 2.553 . 0 0 "[ ]" 1
414 1 22 ASN H 1 24 LYS H 5.000 . 5.500 3.955 3.955 3.955 . 0 0 "[ ]" 1
415 1 22 ASN HA 1 23 GLY HA2 5.000 . 5.500 5.288 5.288 5.288 . 0 0 "[ ]" 1
416 1 22 ASN HA 1 23 GLY HA3 5.000 . 5.500 4.631 4.631 4.631 . 0 0 "[ ]" 1
417 1 22 ASN HB3 1 23 GLY H 5.000 . 5.500 3.669 3.669 3.669 . 0 0 "[ ]" 1
418 1 23 GLY H 1 24 LYS H 2.100 . 2.400 2.431 2.431 2.431 0.031 1 0 "[ ]" 1
419 1 23 GLY H 1 25 ALA H 5.000 . 5.500 4.126 4.126 4.126 . 0 0 "[ ]" 1
420 1 23 GLY HA2 1 24 LYS H 3.300 . 3.700 2.913 2.913 2.913 . 0 0 "[ ]" 1
421 1 23 GLY HA3 1 24 LYS H 3.300 . 3.700 3.533 3.533 3.533 . 0 0 "[ ]" 1
422 1 24 LYS H 1 24 LYS HB2 2.800 . 3.100 2.177 2.177 2.177 . 0 0 "[ ]" 1
423 1 24 LYS H 1 24 LYS HB3 2.800 . 3.100 3.434 3.434 3.434 0.334 1 0 "[ ]" 1
424 1 24 LYS H 1 24 LYS QD 3.300 . 4.700 4.234 4.234 4.234 . 0 0 "[ ]" 1
425 1 24 LYS H 1 24 LYS QG 3.300 . 4.700 3.145 3.145 3.145 . 0 0 "[ ]" 1
426 1 24 LYS H 1 25 ALA H 2.800 . 3.100 2.372 2.372 2.372 . 0 0 "[ ]" 1
427 1 24 LYS H 1 26 LYS H 5.000 . 5.500 5.334 5.334 5.334 . 0 0 "[ ]" 1
428 1 24 LYS HA 1 24 LYS HB2 2.600 . 2.900 2.965 2.965 2.965 0.065 1 0 "[ ]" 1
429 1 24 LYS HA 1 24 LYS HB3 2.100 . 2.400 2.569 2.569 2.569 0.169 1 0 "[ ]" 1
430 1 24 LYS HA 1 27 GLN H 3.300 . 3.700 3.429 3.429 3.429 . 0 0 "[ ]" 1
431 1 24 LYS HA 1 27 GLN HG2 5.000 . 5.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
432 1 24 LYS HA 1 27 GLN HG3 5.000 . 5.500 1.912 1.912 1.912 . 0 0 "[ ]" 1
433 1 24 LYS HA 1 28 TYR QD 3.300 . 5.700 4.650 4.650 4.650 . 0 0 "[ ]" 1
434 1 24 LYS HA 1 28 TYR QE 3.300 . 5.700 4.435 4.435 4.435 . 0 0 "[ ]" 1
435 1 24 LYS HB2 1 25 ALA H 3.300 . 3.700 3.724 3.724 3.724 0.024 1 0 "[ ]" 1
436 1 24 LYS HB2 1 28 TYR QD 2.800 . 5.100 3.293 3.293 3.293 . 0 0 "[ ]" 1
437 1 24 LYS HB2 1 28 TYR QE 5.000 . 7.500 1.996 1.996 1.996 . 0 0 "[ ]" 1
438 1 24 LYS HB3 1 25 ALA H 3.300 . 3.700 4.085 4.085 4.085 0.385 1 0 "[ ]" 1
439 1 24 LYS HB3 1 28 TYR HB3 5.000 . 5.500 5.704 5.704 5.704 0.204 1 0 "[ ]" 1
440 1 24 LYS HB3 1 28 TYR QD 2.100 . 4.400 2.817 2.817 2.817 . 0 0 "[ ]" 1
441 1 24 LYS HB3 1 28 TYR QE 3.300 . 5.700 2.112 2.112 2.112 . 0 0 "[ ]" 1
442 1 24 LYS QD 1 28 TYR QD 5.000 . 8.500 4.064 4.064 4.064 . 0 0 "[ ]" 1
443 1 24 LYS QD 1 28 TYR QE 5.000 . 8.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
444 1 24 LYS QG 1 28 TYR QD 5.000 . 8.500 4.750 4.750 4.750 . 0 0 "[ ]" 1
445 1 24 LYS QG 1 28 TYR QE 5.000 . 8.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
446 1 25 ALA H 1 25 ALA HA 2.800 . 3.100 2.733 2.733 2.733 . 0 0 "[ ]" 1
447 1 25 ALA H 1 25 ALA MB 2.100 . 3.400 2.236 2.236 2.236 . 0 0 "[ ]" 1
448 1 25 ALA H 1 26 LYS H 3.300 . 3.700 3.207 3.207 3.207 . 0 0 "[ ]" 1
449 1 25 ALA H 1 27 GLN H 5.000 . 5.500 4.277 4.277 4.277 . 0 0 "[ ]" 1
450 1 25 ALA H 1 35 VAL MG1 5.000 . 6.500 5.381 5.381 5.381 . 0 0 "[ ]" 1
451 1 25 ALA H 1 35 VAL MG2 5.000 . 6.500 4.397 4.397 4.397 . 0 0 "[ ]" 1
452 1 25 ALA HA 1 26 LYS H 3.300 . 3.700 3.591 3.591 3.591 . 0 0 "[ ]" 1
453 1 25 ALA HA 1 27 GLN H 5.000 . 5.500 4.346 4.346 4.346 . 0 0 "[ ]" 1
454 1 25 ALA HA 1 28 TYR H 3.300 . 3.700 3.726 3.726 3.726 0.026 1 0 "[ ]" 1
455 1 25 ALA HA 1 28 TYR HB2 2.800 . 3.100 3.188 3.188 3.188 0.088 1 0 "[ ]" 1
456 1 25 ALA HA 1 28 TYR HB3 5.000 . 5.500 4.848 4.848 4.848 . 0 0 "[ ]" 1
457 1 25 ALA HA 1 29 ARG H 5.000 . 5.500 4.065 4.065 4.065 . 0 0 "[ ]" 1
458 1 25 ALA MB 1 26 LYS H 2.800 . 4.100 2.381 2.381 2.381 . 0 0 "[ ]" 1
459 1 25 ALA MB 1 30 VAL MG1 2.800 . 5.100 3.732 3.732 3.732 . 0 0 "[ ]" 1
460 1 25 ALA MB 1 30 VAL MG2 2.800 . 5.100 1.689 1.689 1.689 0.111 1 0 "[ ]" 1
461 1 25 ALA MB 1 35 VAL MG1 2.800 . 5.100 3.446 3.446 3.446 . 0 0 "[ ]" 1
462 1 25 ALA MB 1 35 VAL MG2 3.300 . 5.700 2.050 2.050 2.050 . 0 0 "[ ]" 1
463 1 26 LYS H 1 26 LYS HA 2.100 . 2.400 2.786 2.786 2.786 0.386 1 0 "[ ]" 1
464 1 26 LYS H 1 26 LYS HB2 2.800 . 3.100 2.059 2.059 2.059 . 0 0 "[ ]" 1
465 1 26 LYS H 1 26 LYS HB3 2.800 . 3.100 3.368 3.368 3.368 0.268 1 0 "[ ]" 1
466 1 26 LYS H 1 26 LYS HD2 3.300 . 3.700 2.988 2.988 2.988 . 0 0 "[ ]" 1
467 1 26 LYS H 1 26 LYS HD3 3.300 . 3.700 3.703 3.703 3.703 0.003 1 0 "[ ]" 1
468 1 26 LYS H 1 27 GLN H 2.800 . 3.100 2.769 2.769 2.769 . 0 0 "[ ]" 1
469 1 26 LYS H 1 28 TYR H 5.000 . 5.500 4.469 4.469 4.469 . 0 0 "[ ]" 1
470 1 26 LYS HA 1 27 GLN H 3.300 . 3.700 3.535 3.535 3.535 . 0 0 "[ ]" 1
471 1 26 LYS HA 1 28 TYR H 5.000 . 5.500 4.492 4.492 4.492 . 0 0 "[ ]" 1
472 1 26 LYS HA 1 30 VAL H 3.300 . 3.700 3.744 3.744 3.744 0.044 1 0 "[ ]" 1
473 1 26 LYS HB2 1 27 GLN H 2.800 . 3.100 3.151 3.151 3.151 0.051 1 0 "[ ]" 1
474 1 26 LYS HD2 1 27 GLN H 5.000 . 5.500 5.311 5.311 5.311 . 0 0 "[ ]" 1
475 1 26 LYS QG 1 27 GLN H 5.000 . 6.500 4.550 4.550 4.550 . 0 0 "[ ]" 1
476 1 27 GLN H 1 27 GLN HA 2.800 . 3.100 2.847 2.847 2.847 . 0 0 "[ ]" 1
477 1 27 GLN H 1 27 GLN QB 2.800 . 4.100 2.631 2.631 2.631 . 0 0 "[ ]" 1
478 1 27 GLN H 1 27 GLN HG2 2.800 . 3.100 2.374 2.374 2.374 . 0 0 "[ ]" 1
479 1 27 GLN H 1 27 GLN HG3 2.100 . 2.400 2.506 2.506 2.506 0.106 1 0 "[ ]" 1
480 1 27 GLN H 1 28 TYR H 2.800 . 3.100 2.716 2.716 2.716 . 0 0 "[ ]" 1
481 1 27 GLN H 1 28 TYR QD 5.000 . 7.500 4.590 4.590 4.590 . 0 0 "[ ]" 1
482 1 27 GLN HA 1 28 TYR H 3.300 . 3.700 3.550 3.550 3.550 . 0 0 "[ ]" 1
483 1 27 GLN HA 1 28 TYR QD 5.000 . 7.500 5.446 5.446 5.446 . 0 0 "[ ]" 1
484 1 27 GLN QB 1 28 TYR H 2.800 . 4.100 2.263 2.263 2.263 . 0 0 "[ ]" 1
485 1 27 GLN QB 1 28 TYR HA 5.000 . 6.500 3.770 3.770 3.770 . 0 0 "[ ]" 1
486 1 27 GLN QB 1 28 TYR QD 2.100 . 5.400 3.351 3.351 3.351 . 0 0 "[ ]" 1
487 1 27 GLN QB 1 28 TYR QE 2.800 . 6.100 3.675 3.675 3.675 . 0 0 "[ ]" 1
488 1 27 GLN HE22 1 28 TYR QE 5.000 . 7.500 6.781 6.781 6.781 . 0 0 "[ ]" 1
489 1 27 GLN HG3 1 28 TYR QD 2.800 . 5.100 4.686 4.686 4.686 . 0 0 "[ ]" 1
490 1 27 GLN HG3 1 28 TYR QE 3.300 . 5.700 4.680 4.680 4.680 . 0 0 "[ ]" 1
491 1 28 TYR H 1 28 TYR HA 2.800 . 3.100 2.896 2.896 2.896 . 0 0 "[ ]" 1
492 1 28 TYR H 1 28 TYR HB2 2.800 . 3.100 2.275 2.275 2.275 . 0 0 "[ ]" 1
493 1 28 TYR H 1 28 TYR HB3 2.800 . 3.100 3.477 3.477 3.477 0.377 1 0 "[ ]" 1
494 1 28 TYR H 1 28 TYR QD 2.800 . 5.100 2.950 2.950 2.950 . 0 0 "[ ]" 1
495 1 28 TYR H 1 28 TYR QE 5.000 . 7.500 4.496 4.496 4.496 . 0 0 "[ ]" 1
496 1 28 TYR H 1 29 ARG H 2.800 . 3.100 3.391 3.391 3.391 0.291 1 0 "[ ]" 1
497 1 28 TYR H 1 30 VAL H 5.000 . 5.500 4.130 4.130 4.130 . 0 0 "[ ]" 1
498 1 28 TYR HA 1 28 TYR QD 2.100 . 4.400 2.176 2.176 2.176 . 0 0 "[ ]" 1
499 1 28 TYR HA 1 28 TYR QE 5.000 . 7.500 4.347 4.347 4.347 . 0 0 "[ ]" 1
500 1 28 TYR HA 1 29 ARG H 3.300 . 3.700 3.489 3.489 3.489 . 0 0 "[ ]" 1
501 1 28 TYR HA 1 30 VAL H 5.000 . 5.500 5.290 5.290 5.290 . 0 0 "[ ]" 1
502 1 28 TYR HB2 1 29 ARG H 3.300 . 3.700 2.055 2.055 2.055 . 0 0 "[ ]" 1
503 1 28 TYR HB3 1 29 ARG H 5.000 . 5.500 2.470 2.470 2.470 . 0 0 "[ ]" 1
504 1 28 TYR HB3 1 30 VAL MG1 3.300 . 4.700 3.672 3.672 3.672 . 0 0 "[ ]" 1
505 1 28 TYR QD 1 30 VAL MG1 3.300 . 6.700 4.379 4.379 4.379 . 0 0 "[ ]" 1
506 1 28 TYR QE 1 30 VAL MG1 5.000 . 8.500 6.132 6.132 6.132 . 0 0 "[ ]" 1
507 1 29 ARG H 1 29 ARG HA 2.100 . 2.400 2.831 2.831 2.831 0.431 1 0 "[ ]" 1
508 1 29 ARG H 1 29 ARG QB 2.100 . 3.400 2.889 2.889 2.889 . 0 0 "[ ]" 1
509 1 29 ARG H 1 29 ARG QG 2.800 . 4.100 3.884 3.884 3.884 . 0 0 "[ ]" 1
510 1 29 ARG H 1 30 VAL H 2.800 . 3.100 2.191 2.191 2.191 . 0 0 "[ ]" 1
511 1 29 ARG H 1 31 SER H 5.000 . 5.500 4.533 4.533 4.533 . 0 0 "[ ]" 1
512 1 29 ARG HA 1 30 VAL H 2.100 . 2.400 2.762 2.762 2.762 0.362 1 0 "[ ]" 1
513 1 29 ARG HA 1 31 SER QB 3.300 . 4.700 4.248 4.248 4.248 . 0 0 "[ ]" 1
514 1 29 ARG QG 1 30 VAL H 5.000 . 6.400 4.481 4.481 4.481 . 0 0 "[ ]" 1
515 1 30 VAL H 1 30 VAL HA 2.800 . 3.100 2.965 2.965 2.965 . 0 0 "[ ]" 1
516 1 30 VAL H 1 30 VAL HB 3.300 . 3.600 3.897 3.897 3.897 0.297 1 0 "[ ]" 1
517 1 30 VAL H 1 30 VAL MG1 2.800 . 4.100 2.564 2.564 2.564 . 0 0 "[ ]" 1
518 1 30 VAL H 1 30 VAL MG2 2.100 . 3.400 2.414 2.414 2.414 . 0 0 "[ ]" 1
519 1 30 VAL H 1 31 SER H 5.000 . 5.500 2.514 2.514 2.514 . 0 0 "[ ]" 1
520 1 30 VAL HA 1 31 SER H 2.600 . 2.900 2.741 2.741 2.741 . 0 0 "[ ]" 1
521 1 30 VAL HA 1 32 ASP H 5.000 . 5.500 3.752 3.752 3.752 . 0 0 "[ ]" 1
522 1 30 VAL HB 1 31 SER H 5.000 . 5.500 4.526 4.526 4.526 . 0 0 "[ ]" 1
523 1 30 VAL MG1 1 31 SER H 3.800 . 5.200 4.224 4.224 4.224 . 0 0 "[ ]" 1
524 1 30 VAL MG2 1 31 SER H 3.300 . 4.600 3.761 3.761 3.761 . 0 0 "[ ]" 1
525 1 31 SER H 1 31 SER HA 2.100 . 2.400 2.603 2.603 2.603 0.203 1 0 "[ ]" 1
526 1 31 SER H 1 31 SER QB 2.800 . 4.100 2.172 2.172 2.172 . 0 0 "[ ]" 1
527 1 31 SER H 1 35 VAL MG2 5.000 . 6.500 4.479 4.479 4.479 . 0 0 "[ ]" 1
528 1 31 SER HA 1 31 SER QB 2.100 . 3.400 2.336 2.336 2.336 . 0 0 "[ ]" 1
529 1 31 SER HA 1 32 ASP H 2.800 . 3.100 3.523 3.523 3.523 0.423 1 0 "[ ]" 1
530 1 31 SER QB 1 32 ASP H 2.800 . 4.100 2.615 2.615 2.615 . 0 0 "[ ]" 1
531 1 32 ASP H 1 32 ASP HA 2.800 . 3.100 2.921 2.921 2.921 . 0 0 "[ ]" 1
532 1 32 ASP H 1 32 ASP HB2 2.800 . 3.100 2.884 2.884 2.884 . 0 0 "[ ]" 1
533 1 32 ASP H 1 32 ASP HB3 3.300 . 3.600 3.650 3.650 3.650 0.050 1 0 "[ ]" 1
534 1 32 ASP H 1 33 LYS H 3.300 . 3.700 1.988 1.988 1.988 . 0 0 "[ ]" 1
535 1 32 ASP H 1 34 THR H 5.000 . 5.500 3.586 3.586 3.586 . 0 0 "[ ]" 1
536 1 32 ASP H 1 35 VAL HB 5.000 . 5.500 4.642 4.642 4.642 . 0 0 "[ ]" 1
537 1 32 ASP H 1 35 VAL MG1 5.000 . 6.500 5.453 5.453 5.453 . 0 0 "[ ]" 1
538 1 32 ASP HA 1 33 LYS H 2.800 . 3.100 3.502 3.502 3.502 0.402 1 0 "[ ]" 1
539 1 32 ASP HA 1 35 VAL HA 5.000 . 5.500 4.617 4.617 4.617 . 0 0 "[ ]" 1
540 1 32 ASP HA 1 35 VAL HB 2.100 . 2.400 2.070 2.070 2.070 . 0 0 "[ ]" 1
541 1 32 ASP HA 1 35 VAL MG1 3.300 . 4.600 3.248 3.248 3.248 . 0 0 "[ ]" 1
542 1 32 ASP HA 1 35 VAL MG2 3.300 . 4.700 1.916 1.916 1.916 . 0 0 "[ ]" 1
543 1 32 ASP HB2 1 33 LYS H 2.800 . 3.100 3.219 3.219 3.219 0.119 1 0 "[ ]" 1
544 1 32 ASP HB2 1 35 VAL HB 5.000 . 5.500 4.808 4.808 4.808 . 0 0 "[ ]" 1
545 1 32 ASP HB2 1 35 VAL MG1 5.000 . 6.500 5.435 5.435 5.435 . 0 0 "[ ]" 1
546 1 32 ASP HB3 1 33 LYS H 3.300 . 3.700 3.088 3.088 3.088 . 0 0 "[ ]" 1
547 1 32 ASP HB3 1 35 VAL MG1 5.000 . 6.500 5.206 5.206 5.206 . 0 0 "[ ]" 1
548 1 33 LYS H 1 33 LYS HA 2.800 . 3.100 2.751 2.751 2.751 . 0 0 "[ ]" 1
549 1 33 LYS H 1 33 LYS HB2 2.800 . 3.100 2.472 2.472 2.472 . 0 0 "[ ]" 1
550 1 33 LYS H 1 33 LYS HB3 2.800 . 3.100 3.556 3.556 3.556 0.456 1 0 "[ ]" 1
551 1 33 LYS H 1 33 LYS HD2 5.000 . 5.500 2.665 2.665 2.665 . 0 0 "[ ]" 1
552 1 33 LYS H 1 33 LYS HD3 3.300 . 3.700 2.343 2.343 2.343 . 0 0 "[ ]" 1
553 1 33 LYS H 1 33 LYS QG 3.300 . 4.700 2.594 2.594 2.594 . 0 0 "[ ]" 1
554 1 33 LYS H 1 34 THR H 2.800 . 3.100 3.032 3.032 3.032 . 0 0 "[ ]" 1
555 1 33 LYS HA 1 33 LYS HB2 2.800 . 3.100 3.021 3.021 3.021 . 0 0 "[ ]" 1
556 1 33 LYS HA 1 33 LYS HB3 2.100 . 2.400 2.501 2.501 2.501 0.101 1 0 "[ ]" 1
557 1 33 LYS HA 1 34 THR H 3.300 . 3.700 3.572 3.572 3.572 . 0 0 "[ ]" 1
558 1 33 LYS HA 1 36 GLU H 5.000 . 5.500 4.950 4.950 4.950 . 0 0 "[ ]" 1
559 1 33 LYS HB2 1 34 THR H 2.800 . 3.100 2.326 2.326 2.326 . 0 0 "[ ]" 1
560 1 33 LYS HB3 1 34 THR H 2.800 . 3.100 3.246 3.246 3.246 0.146 1 0 "[ ]" 1
561 1 33 LYS HD3 1 34 THR H 3.300 . 3.700 3.800 3.800 3.800 0.100 1 0 "[ ]" 1
562 1 33 LYS QG 1 34 THR H 5.000 . 6.500 4.249 4.249 4.249 . 0 0 "[ ]" 1
563 1 34 THR H 1 34 THR HA 2.600 . 2.900 2.936 2.936 2.936 0.036 1 0 "[ ]" 1
564 1 34 THR H 1 34 THR HB 2.800 . 3.100 2.269 2.269 2.269 . 0 0 "[ ]" 1
565 1 34 THR H 1 34 THR MG 2.800 . 4.100 3.190 3.190 3.190 . 0 0 "[ ]" 1
566 1 34 THR H 1 35 VAL H 2.800 . 3.100 2.391 2.391 2.391 . 0 0 "[ ]" 1
567 1 34 THR H 1 36 GLU H 5.000 . 5.500 4.965 4.965 4.965 . 0 0 "[ ]" 1
568 1 34 THR HA 1 34 THR HB 2.800 . 3.100 2.827 2.827 2.827 . 0 0 "[ ]" 1
569 1 34 THR HA 1 34 THR MG 2.100 . 3.400 3.009 3.009 3.009 . 0 0 "[ ]" 1
570 1 34 THR HA 1 35 VAL H 5.000 . 5.500 3.508 3.508 3.508 . 0 0 "[ ]" 1
571 1 34 THR HB 1 35 VAL H 3.300 . 3.700 3.681 3.681 3.681 . 0 0 "[ ]" 1
572 1 34 THR HB 1 37 LYS QB 3.300 . 4.700 4.264 4.264 4.264 . 0 0 "[ ]" 1
573 1 34 THR HB 1 37 LYS QD 3.300 . 4.700 4.386 4.386 4.386 . 0 0 "[ ]" 1
574 1 34 THR HB 1 37 LYS QG 5.000 . 6.500 5.925 5.925 5.925 . 0 0 "[ ]" 1
575 1 34 THR HB 1 38 VAL MG1 5.000 . 6.500 5.504 5.504 5.504 . 0 0 "[ ]" 1
576 1 34 THR MG 1 35 VAL H 2.800 . 4.100 2.840 2.840 2.840 . 0 0 "[ ]" 1
577 1 34 THR MG 1 38 VAL HB 2.800 . 4.100 2.012 2.012 2.012 . 0 0 "[ ]" 1
578 1 34 THR MG 1 39 MET ME 3.300 . 5.700 3.808 3.808 3.808 . 0 0 "[ ]" 1
579 1 34 THR MG 1 39 MET HG2 3.300 . 4.700 4.132 4.132 4.132 . 0 0 "[ ]" 1
580 1 34 THR MG 1 39 MET HG3 5.000 . 6.500 5.085 5.085 5.085 . 0 0 "[ ]" 1
581 1 35 VAL H 1 35 VAL HA 2.800 . 3.100 2.803 2.803 2.803 . 0 0 "[ ]" 1
582 1 35 VAL H 1 35 VAL HB 2.800 . 3.100 2.572 2.572 2.572 . 0 0 "[ ]" 1
583 1 35 VAL H 1 35 VAL MG1 2.800 . 4.100 3.743 3.743 3.743 . 0 0 "[ ]" 1
584 1 35 VAL H 1 35 VAL MG2 2.800 . 4.100 2.033 2.033 2.033 . 0 0 "[ ]" 1
585 1 35 VAL H 1 36 GLU H 2.800 . 3.100 3.149 3.149 3.149 0.049 1 0 "[ ]" 1
586 1 35 VAL HA 1 36 GLU H 3.300 . 3.700 3.616 3.616 3.616 . 0 0 "[ ]" 1
587 1 35 VAL HA 1 37 LYS H 5.000 . 5.500 4.599 4.599 4.599 . 0 0 "[ ]" 1
588 1 35 VAL HB 1 36 GLU H 2.800 . 3.100 2.165 2.165 2.165 . 0 0 "[ ]" 1
589 1 35 VAL MG1 1 36 GLU H 2.800 . 4.100 3.020 3.020 3.020 . 0 0 "[ ]" 1
590 1 35 VAL MG1 1 37 LYS H 5.000 . 6.500 5.003 5.003 5.003 . 0 0 "[ ]" 1
591 1 35 VAL MG2 1 36 GLU H 2.800 . 4.100 3.701 3.701 3.701 . 0 0 "[ ]" 1
592 1 35 VAL MG2 1 37 LYS H 5.000 . 6.500 5.233 5.233 5.233 . 0 0 "[ ]" 1
593 1 35 VAL MG2 1 39 MET H 5.000 . 6.500 5.070 5.070 5.070 . 0 0 "[ ]" 1
594 1 35 VAL MG2 1 39 MET HG2 3.300 . 4.700 3.928 3.928 3.928 . 0 0 "[ ]" 1
595 1 35 VAL MG2 1 39 MET HG3 3.300 . 4.700 3.727 3.727 3.727 . 0 0 "[ ]" 1
596 1 36 GLU H 1 36 GLU HA 2.800 . 3.100 2.829 2.829 2.829 . 0 0 "[ ]" 1
597 1 36 GLU H 1 37 LYS H 2.800 . 3.100 2.842 2.842 2.842 . 0 0 "[ ]" 1
598 1 36 GLU HA 1 37 LYS H 3.300 . 3.700 3.519 3.519 3.519 . 0 0 "[ ]" 1
599 1 36 GLU HA 1 38 VAL H 5.000 . 5.500 4.982 4.982 4.982 . 0 0 "[ ]" 1
600 1 36 GLU HA 1 39 MET H 3.300 . 3.700 3.950 3.950 3.950 0.250 1 0 "[ ]" 1
601 1 36 GLU HA 1 39 MET HB2 5.000 . 5.500 2.961 2.961 2.961 . 0 0 "[ ]" 1
602 1 36 GLU HA 1 39 MET HG2 5.000 . 5.500 4.724 4.724 4.724 . 0 0 "[ ]" 1
603 1 36 GLU HA 1 39 MET HG3 3.300 . 3.700 3.918 3.918 3.918 0.218 1 0 "[ ]" 1
604 1 36 GLU HG2 1 37 LYS H 3.300 . 3.700 2.376 2.376 2.376 . 0 0 "[ ]" 1
605 1 36 GLU HG3 1 37 LYS H 5.000 . 5.500 2.397 2.397 2.397 . 0 0 "[ ]" 1
606 1 37 LYS H 1 37 LYS HA 2.800 . 3.100 2.815 2.815 2.815 . 0 0 "[ ]" 1
607 1 37 LYS H 1 37 LYS HB2 2.800 . 3.100 2.222 2.222 2.222 . 0 0 "[ ]" 1
608 1 37 LYS H 1 37 LYS HB3 2.800 . 3.100 2.678 2.678 2.678 . 0 0 "[ ]" 1
609 1 37 LYS H 1 37 LYS HD2 5.000 . 5.500 4.443 4.443 4.443 . 0 0 "[ ]" 1
610 1 37 LYS H 1 37 LYS HD3 5.000 . 5.500 5.280 5.280 5.280 . 0 0 "[ ]" 1
611 1 37 LYS H 1 38 VAL H 2.800 . 3.100 2.944 2.944 2.944 . 0 0 "[ ]" 1
612 1 37 LYS H 1 39 MET H 5.000 . 5.500 4.081 4.081 4.081 . 0 0 "[ ]" 1
613 1 37 LYS HA 1 38 VAL H 3.300 . 3.700 3.520 3.520 3.520 . 0 0 "[ ]" 1
614 1 37 LYS HA 1 39 MET H 5.000 . 5.500 4.968 4.968 4.968 . 0 0 "[ ]" 1
615 1 37 LYS HB2 1 38 VAL H 2.800 . 3.100 3.369 3.369 3.369 0.269 1 0 "[ ]" 1
616 1 37 LYS HB3 1 38 VAL H 2.800 . 3.100 1.959 1.959 1.959 . 0 0 "[ ]" 1
617 1 38 VAL H 1 38 VAL HA 2.800 . 3.100 2.909 2.909 2.909 . 0 0 "[ ]" 1
618 1 38 VAL H 1 38 VAL HB 2.100 . 2.400 2.334 2.334 2.334 . 0 0 "[ ]" 1
619 1 38 VAL H 1 38 VAL MG1 2.800 . 4.100 3.710 3.710 3.710 . 0 0 "[ ]" 1
620 1 38 VAL H 1 38 VAL MG2 3.300 . 4.700 2.201 2.201 2.201 . 0 0 "[ ]" 1
621 1 38 VAL H 1 39 MET H 2.800 . 3.100 2.568 2.568 2.568 . 0 0 "[ ]" 1
622 1 38 VAL H 1 40 ALA H 5.000 . 5.500 4.190 4.190 4.190 . 0 0 "[ ]" 1
623 1 38 VAL HA 1 38 VAL HB 2.800 . 3.100 3.017 3.017 3.017 . 0 0 "[ ]" 1
624 1 38 VAL HA 1 39 MET H 3.300 . 3.700 3.602 3.602 3.602 . 0 0 "[ ]" 1
625 1 38 VAL HA 1 40 ALA H 5.000 . 5.500 4.404 4.404 4.404 . 0 0 "[ ]" 1
626 1 38 VAL HA 1 41 VAL HB 3.300 . 3.700 3.071 3.071 3.071 . 0 0 "[ ]" 1
627 1 38 VAL HB 1 39 MET H 2.800 . 3.100 2.820 2.820 2.820 . 0 0 "[ ]" 1
628 1 38 VAL MG1 1 39 MET H 3.300 . 4.700 3.598 3.598 3.598 . 0 0 "[ ]" 1
629 1 38 VAL MG2 1 39 MET H 3.300 . 4.700 3.993 3.993 3.993 . 0 0 "[ ]" 1
630 1 38 VAL MG2 1 39 MET HA 5.000 . 6.500 5.510 5.510 5.510 . 0 0 "[ ]" 1
631 1 39 MET H 1 39 MET HA 2.800 . 3.100 2.862 2.862 2.862 . 0 0 "[ ]" 1
632 1 39 MET H 1 39 MET HB2 2.800 . 3.100 2.672 2.672 2.672 . 0 0 "[ ]" 1
633 1 39 MET H 1 39 MET HB3 3.300 . 3.600 3.690 3.690 3.690 0.090 1 0 "[ ]" 1
634 1 39 MET H 1 39 MET HG2 2.800 . 3.100 2.253 2.253 2.253 . 0 0 "[ ]" 1
635 1 39 MET H 1 39 MET HG3 2.800 . 3.100 3.262 3.262 3.262 0.162 1 0 "[ ]" 1
636 1 39 MET H 1 40 ALA H 2.800 . 3.100 2.660 2.660 2.660 . 0 0 "[ ]" 1
637 1 39 MET H 1 41 VAL H 5.000 . 5.500 4.181 4.181 4.181 . 0 0 "[ ]" 1
638 1 39 MET HA 1 39 MET HB2 2.800 . 3.100 3.029 3.029 3.029 . 0 0 "[ ]" 1
639 1 39 MET HA 1 39 MET HG2 3.300 . 3.700 2.810 2.810 2.810 . 0 0 "[ ]" 1
640 1 39 MET HA 1 39 MET HG3 3.300 . 3.700 3.818 3.818 3.818 0.118 1 0 "[ ]" 1
641 1 39 MET HA 1 40 ALA H 3.300 . 3.700 3.529 3.529 3.529 . 0 0 "[ ]" 1
642 1 39 MET HA 1 41 VAL H 3.300 . 3.700 3.984 3.984 3.984 0.284 1 0 "[ ]" 1
643 1 39 MET HA 1 42 VAL H 3.300 . 3.700 3.238 3.238 3.238 . 0 0 "[ ]" 1
644 1 39 MET HA 1 42 VAL HB 2.800 . 3.100 2.300 2.300 2.300 . 0 0 "[ ]" 1
645 1 39 MET HA 1 42 VAL QG 2.800 . 5.500 2.956 2.956 2.956 . 0 0 "[ ]" 1
646 1 39 MET HA 1 43 ARG H 3.300 . 3.700 3.538 3.538 3.538 . 0 0 "[ ]" 1
647 1 39 MET HB2 1 40 ALA H 3.300 . 3.700 2.657 2.657 2.657 . 0 0 "[ ]" 1
648 1 39 MET HB3 1 40 ALA H 3.300 . 3.700 3.752 3.752 3.752 0.052 1 0 "[ ]" 1
649 1 39 MET HG2 1 40 ALA H 5.000 . 5.500 4.344 4.344 4.344 . 0 0 "[ ]" 1
650 1 39 MET HG3 1 40 ALA H 5.000 . 5.500 4.628 4.628 4.628 . 0 0 "[ ]" 1
651 1 40 ALA H 1 40 ALA HA 2.800 . 3.100 2.813 2.813 2.813 . 0 0 "[ ]" 1
652 1 40 ALA H 1 40 ALA MB 2.100 . 3.400 2.260 2.260 2.260 . 0 0 "[ ]" 1
653 1 40 ALA H 1 41 VAL H 2.800 . 3.100 2.801 2.801 2.801 . 0 0 "[ ]" 1
654 1 40 ALA HA 1 41 VAL H 3.300 . 3.700 3.551 3.551 3.551 . 0 0 "[ ]" 1
655 1 40 ALA MB 1 41 VAL H 2.100 . 3.400 2.679 2.679 2.679 . 0 0 "[ ]" 1
656 1 41 VAL H 1 41 VAL HA 2.800 . 3.100 2.934 2.934 2.934 . 0 0 "[ ]" 1
657 1 41 VAL H 1 41 VAL HB 2.100 . 2.400 2.064 2.064 2.064 . 0 0 "[ ]" 1
658 1 41 VAL H 1 41 VAL MG1 2.100 . 3.400 3.062 3.062 3.062 . 0 0 "[ ]" 1
659 1 41 VAL H 1 41 VAL MG2 2.800 . 4.100 3.419 3.419 3.419 . 0 0 "[ ]" 1
660 1 41 VAL H 1 42 VAL H 2.800 . 3.100 2.504 2.504 2.504 . 0 0 "[ ]" 1
661 1 41 VAL H 1 43 ARG H 5.000 . 5.500 4.029 4.029 4.029 . 0 0 "[ ]" 1
662 1 41 VAL HA 1 42 VAL H 3.300 . 3.700 3.581 3.581 3.581 . 0 0 "[ ]" 1
663 1 41 VAL HA 1 43 ARG H 5.000 . 5.500 4.550 4.550 4.550 . 0 0 "[ ]" 1
664 1 41 VAL HA 1 44 GLU H 3.300 . 3.700 3.334 3.334 3.334 . 0 0 "[ ]" 1
665 1 41 VAL HA 1 44 GLU QB 2.800 . 4.100 3.504 3.504 3.504 . 0 0 "[ ]" 1
666 1 41 VAL HA 1 44 GLU HG2 3.300 . 3.700 1.740 1.740 1.740 0.060 1 0 "[ ]" 1
667 1 41 VAL HA 1 44 GLU HG3 5.000 . 5.500 2.502 2.502 2.502 . 0 0 "[ ]" 1
668 1 41 VAL HA 1 45 HIS HD2 2.800 . 3.100 2.517 2.517 2.517 . 0 0 "[ ]" 1
669 1 41 VAL HA 1 45 HIS HE1 5.000 . 5.500 5.776 5.776 5.776 0.276 1 0 "[ ]" 1
670 1 41 VAL HB 1 42 VAL H 3.300 . 3.700 3.132 3.132 3.132 . 0 0 "[ ]" 1
671 1 41 VAL HB 1 45 HIS HD2 5.000 . 5.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
672 1 41 VAL MG1 1 42 VAL H 2.800 . 4.100 2.076 2.076 2.076 . 0 0 "[ ]" 1
673 1 41 VAL MG1 1 45 HIS HD2 3.300 . 4.700 2.483 2.483 2.483 . 0 0 "[ ]" 1
674 1 41 VAL MG2 1 45 HIS HD2 2.800 . 4.100 2.495 2.495 2.495 . 0 0 "[ ]" 1
675 1 42 VAL H 1 42 VAL HA 2.800 . 3.100 2.806 2.806 2.806 . 0 0 "[ ]" 1
676 1 42 VAL H 1 42 VAL QG 2.100 . 4.800 2.046 2.046 2.046 . 0 0 "[ ]" 1
677 1 42 VAL H 1 43 ARG H 2.800 . 3.100 2.941 2.941 2.941 . 0 0 "[ ]" 1
678 1 42 VAL HA 1 43 ARG H 3.300 . 3.700 3.589 3.589 3.589 . 0 0 "[ ]" 1
679 1 42 VAL HA 1 45 HIS H 3.300 . 3.700 3.965 3.965 3.965 0.265 1 0 "[ ]" 1
680 1 42 VAL HA 1 45 HIS HB3 5.000 . 5.500 4.870 4.870 4.870 . 0 0 "[ ]" 1
681 1 42 VAL HA 1 47 TYR QB 2.100 . 3.400 2.673 2.673 2.673 . 0 0 "[ ]" 1
682 1 42 VAL HA 1 47 TYR QD 5.000 . 7.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
683 1 42 VAL HA 1 47 TYR QE 5.000 . 7.500 6.275 6.275 6.275 . 0 0 "[ ]" 1
684 1 42 VAL HB 1 43 ARG H 2.800 . 3.100 2.627 2.627 2.627 . 0 0 "[ ]" 1
685 1 42 VAL HB 1 43 ARG HA 5.000 . 5.500 4.522 4.522 4.522 . 0 0 "[ ]" 1
686 1 42 VAL QG 1 43 ARG H 2.800 . 5.500 3.159 3.159 3.159 . 0 0 "[ ]" 1
687 1 42 VAL QG 1 47 TYR QB 2.100 . 5.800 2.474 2.474 2.474 . 0 0 "[ ]" 1
688 1 42 VAL QG 1 47 TYR QD 2.100 . 6.800 2.948 2.948 2.948 . 0 0 "[ ]" 1
689 1 42 VAL QG 1 47 TYR QE 3.300 . 8.100 4.474 4.474 4.474 . 0 0 "[ ]" 1
690 1 43 ARG H 1 43 ARG HA 2.100 . 2.400 2.850 2.850 2.850 0.450 1 0 "[ ]" 1
691 1 43 ARG H 1 43 ARG HB2 2.800 . 3.100 3.580 3.580 3.580 0.480 1 0 "[ ]" 1
692 1 43 ARG H 1 43 ARG HB3 2.800 . 3.100 2.463 2.463 2.463 . 0 0 "[ ]" 1
693 1 43 ARG H 1 43 ARG HG2 3.300 . 3.700 3.136 3.136 3.136 . 0 0 "[ ]" 1
694 1 43 ARG H 1 43 ARG HG3 2.800 . 3.100 2.445 2.445 2.445 . 0 0 "[ ]" 1
695 1 43 ARG H 1 44 GLU H 2.800 . 3.100 2.580 2.580 2.580 . 0 0 "[ ]" 1
696 1 43 ARG HA 1 44 GLU H 2.800 . 3.100 3.484 3.484 3.484 0.384 1 0 "[ ]" 1
697 1 43 ARG HA 1 46 ASN HA 5.000 . 5.500 2.879 2.879 2.879 . 0 0 "[ ]" 1
698 1 43 ARG HA 1 46 ASN HB2 5.000 . 5.500 4.876 4.876 4.876 . 0 0 "[ ]" 1
699 1 43 ARG HA 1 46 ASN HB3 5.000 . 5.500 5.737 5.737 5.737 0.237 1 0 "[ ]" 1
700 1 43 ARG HA 1 47 TYR QD 5.000 . 7.500 7.249 7.249 7.249 . 0 0 "[ ]" 1
701 1 44 GLU H 1 44 GLU HA 2.800 . 3.100 2.909 2.909 2.909 . 0 0 "[ ]" 1
702 1 44 GLU H 1 44 GLU QB 2.100 . 3.400 2.615 2.615 2.615 . 0 0 "[ ]" 1
703 1 44 GLU H 1 44 GLU HG3 3.300 . 3.700 2.740 2.740 2.740 . 0 0 "[ ]" 1
704 1 44 GLU H 1 45 HIS H 2.800 . 3.100 2.419 2.419 2.419 . 0 0 "[ ]" 1
705 1 44 GLU H 1 45 HIS HD2 5.000 . 5.500 4.163 4.163 4.163 . 0 0 "[ ]" 1
706 1 44 GLU HA 1 45 HIS H 3.300 . 3.700 3.490 3.490 3.490 . 0 0 "[ ]" 1
707 1 44 GLU HA 1 45 HIS HD2 5.000 . 5.500 5.835 5.835 5.835 0.335 1 0 "[ ]" 1
708 1 44 GLU QB 1 45 HIS HD2 5.000 . 6.500 4.568 4.568 4.568 . 0 0 "[ ]" 1
709 1 44 GLU QB 1 45 HIS HE1 5.000 . 6.500 5.759 5.759 5.759 . 0 0 "[ ]" 1
710 1 44 GLU HG2 1 45 HIS HD2 5.000 . 5.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
711 1 44 GLU HG2 1 45 HIS HE1 5.000 . 5.500 5.452 5.452 5.452 . 0 0 "[ ]" 1
712 1 44 GLU HG3 1 45 HIS HD2 5.000 . 5.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
713 1 44 GLU HG3 1 45 HIS HE1 5.000 . 5.500 4.681 4.681 4.681 . 0 0 "[ ]" 1
714 1 45 HIS H 1 45 HIS HA 2.800 . 3.100 2.935 2.935 2.935 . 0 0 "[ ]" 1
715 1 45 HIS H 1 45 HIS HB2 2.800 . 3.100 2.241 2.241 2.241 . 0 0 "[ ]" 1
716 1 45 HIS H 1 45 HIS HB3 2.800 . 3.100 3.501 3.501 3.501 0.401 1 0 "[ ]" 1
717 1 45 HIS H 1 45 HIS HD2 5.000 . 5.500 2.998 2.998 2.998 . 0 0 "[ ]" 1
718 1 45 HIS H 1 46 ASN H 2.800 . 3.100 2.256 2.256 2.256 . 0 0 "[ ]" 1
719 1 45 HIS HA 1 45 HIS HD2 5.000 . 5.500 4.394 4.394 4.394 . 0 0 "[ ]" 1
720 1 45 HIS HA 1 46 ASN H 3.300 . 3.700 3.478 3.478 3.478 . 0 0 "[ ]" 1
721 1 45 HIS HB2 1 45 HIS HD2 2.800 . 3.100 2.724 2.724 2.724 . 0 0 "[ ]" 1
722 1 45 HIS HB2 1 46 ASN H 3.300 . 3.700 3.054 3.054 3.054 . 0 0 "[ ]" 1
723 1 45 HIS HB3 1 45 HIS HD2 3.300 . 3.700 3.796 3.796 3.796 0.096 1 0 "[ ]" 1
724 1 45 HIS HB3 1 46 ASN H 3.300 . 3.700 3.946 3.946 3.946 0.246 1 0 "[ ]" 1
725 1 46 ASN H 1 46 ASN HA 2.100 . 2.400 2.287 2.287 2.287 . 0 0 "[ ]" 1
726 1 46 ASN H 1 46 ASN HB2 3.800 . 4.200 3.130 3.130 3.130 . 0 0 "[ ]" 1
727 1 46 ASN H 1 46 ASN HB3 3.300 . 3.700 3.763 3.763 3.763 0.063 1 0 "[ ]" 1
728 1 46 ASN HA 1 47 TYR H 2.800 . 3.100 2.846 2.846 2.846 . 0 0 "[ ]" 1
729 1 46 ASN HB2 1 47 TYR H 3.800 . 4.200 4.459 4.459 4.459 0.259 1 0 "[ ]" 1
730 1 46 ASN HB3 1 47 TYR H 3.300 . 3.700 4.055 4.055 4.055 0.355 1 0 "[ ]" 1
731 1 47 TYR H 1 47 TYR HA 2.800 . 3.100 2.911 2.911 2.911 . 0 0 "[ ]" 1
732 1 47 TYR H 1 47 TYR QB 2.100 . 3.400 2.304 2.304 2.304 . 0 0 "[ ]" 1
733 1 47 TYR HA 1 48 HIS H 2.100 . 2.400 2.170 2.170 2.170 . 0 0 "[ ]" 1
734 1 47 TYR QB 1 48 HIS H 2.800 . 4.100 3.734 3.734 3.734 . 0 0 "[ ]" 1
735 1 48 HIS H 1 48 HIS HB2 3.300 . 3.700 2.371 2.371 2.371 . 0 0 "[ ]" 1
736 1 48 HIS H 1 48 HIS HB3 3.300 . 3.700 3.631 3.631 3.631 . 0 0 "[ ]" 1
737 1 48 HIS H 1 49 PRO HD2 5.000 . 5.500 4.871 4.871 4.871 . 0 0 "[ ]" 1
738 1 48 HIS H 1 49 PRO HD3 5.000 . 5.500 4.953 4.953 4.953 . 0 0 "[ ]" 1
739 1 48 HIS HA 1 48 HIS HB2 2.800 . 3.100 3.020 3.020 3.020 . 0 0 "[ ]" 1
740 1 48 HIS HA 1 48 HIS HB3 2.800 . 3.100 2.569 2.569 2.569 . 0 0 "[ ]" 1
741 1 48 HIS HA 1 49 PRO HD2 2.100 . 2.400 2.509 2.509 2.509 0.109 1 0 "[ ]" 1
742 1 48 HIS HA 1 49 PRO HD3 2.100 . 2.400 2.150 2.150 2.150 . 0 0 "[ ]" 1
743 1 48 HIS HB2 1 49 PRO HD3 5.000 . 5.500 4.589 4.589 4.589 . 0 0 "[ ]" 1
744 1 48 HIS HB3 1 49 PRO HD3 5.000 . 5.500 3.378 3.378 3.378 . 0 0 "[ ]" 1
745 1 49 PRO HA 1 50 ASN H 2.100 . 2.400 2.157 2.157 2.157 . 0 0 "[ ]" 1
746 1 49 PRO HB2 1 50 ASN H 5.000 . 5.500 3.825 3.825 3.825 . 0 0 "[ ]" 1
747 1 49 PRO HB3 1 50 ASN H 5.000 . 5.500 4.163 4.163 4.163 . 0 0 "[ ]" 1
748 1 50 ASN H 1 50 ASN HA 2.800 . 3.100 2.939 2.939 2.939 . 0 0 "[ ]" 1
749 1 50 ASN H 1 50 ASN HB2 3.300 . 3.700 3.391 3.391 3.391 . 0 0 "[ ]" 1
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