NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385269 |
1kwj   |
5279 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kwj
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 766
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 8.915
_Distance_constraint_stats_list.Viol_max 0.700
_Distance_constraint_stats_list.Viol_rms 0.0619
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.1486
_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 ALA 0.000 0.000 . 0 "[ ]"
1 2 ASP 0.000 0.000 . 0 "[ ]"
1 3 VAL 0.029 0.029 1 0 "[ ]"
1 4 VAL 0.029 0.029 1 0 "[ ]"
1 5 THR 0.000 0.000 . 0 "[ ]"
1 6 TYR 0.122 0.122 1 0 "[ ]"
1 7 GLU 0.412 0.220 1 0 "[ ]"
1 8 ASN 0.439 0.339 1 0 "[ ]"
1 9 ALA 0.060 0.060 1 0 "[ ]"
1 10 ALA 0.020 0.020 1 0 "[ ]"
1 11 GLY 0.110 0.090 1 0 "[ ]"
1 12 ASN 0.332 0.220 1 0 "[ ]"
1 13 VAL 0.700 0.700 1 1 [+]
1 14 THR 0.742 0.700 1 1 [+]
1 15 PHE 0.037 0.037 1 0 "[ ]"
1 16 ASP 0.000 0.000 . 0 "[ ]"
1 17 HIS 0.070 0.042 1 0 "[ ]"
1 18 LYS 0.306 0.235 1 0 "[ ]"
1 19 ALA 0.047 0.047 1 0 "[ ]"
1 20 HIS 0.047 0.047 1 0 "[ ]"
1 21 ALA 0.056 0.056 1 0 "[ ]"
1 22 GLU 0.241 0.235 1 0 "[ ]"
1 23 LYS 0.073 0.056 1 0 "[ ]"
1 24 LEU 0.000 0.000 . 0 "[ ]"
1 25 GLY 0.107 0.080 1 0 "[ ]"
1 26 CYS 0.556 0.462 1 0 "[ ]"
1 27 ASP 0.018 0.018 1 0 "[ ]"
1 28 ALA 0.098 0.080 1 0 "[ ]"
1 29 CYS 0.462 0.462 1 0 "[ ]"
1 31 GLU 0.167 0.101 1 0 "[ ]"
1 32 GLY 0.108 0.101 1 0 "[ ]"
1 33 THR 0.000 0.000 . 0 "[ ]"
1 34 PRO 0.104 0.104 1 0 "[ ]"
1 35 ALA 0.000 0.000 . 0 "[ ]"
1 36 LYS 1.290 0.398 1 0 "[ ]"
1 37 ILE 0.255 0.255 1 0 "[ ]"
1 38 ALA 0.000 0.000 . 0 "[ ]"
1 39 ILE 0.037 0.037 1 0 "[ ]"
1 40 ASP 0.200 0.200 1 0 "[ ]"
1 41 LYS 0.200 0.200 1 0 "[ ]"
1 42 LYS 0.144 0.123 1 0 "[ ]"
1 43 SER 0.152 0.123 1 0 "[ ]"
1 44 ALA 0.013 0.013 1 0 "[ ]"
1 45 HIS 0.044 0.023 1 0 "[ ]"
1 46 LYS 0.641 0.409 1 0 "[ ]"
1 47 ASP 0.188 0.115 1 0 "[ ]"
1 48 ALA 0.016 0.016 1 0 "[ ]"
1 49 CYS 0.291 0.291 1 0 "[ ]"
1 50 LYS 0.080 0.043 1 0 "[ ]"
1 51 THR 0.291 0.291 1 0 "[ ]"
1 52 CYS 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.911 0.681 1 1 [+]
1 55 SER 0.230 0.230 1 0 "[ ]"
1 56 ASN 0.482 0.415 1 0 "[ ]"
1 57 ASN 0.492 0.415 1 0 "[ ]"
1 58 GLY 0.000 0.000 . 0 "[ ]"
1 59 PRO 0.475 0.475 1 0 "[ ]"
1 60 THR 0.000 0.000 . 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 CYS 0.295 0.283 1 0 "[ ]"
1 63 GLY 0.283 0.283 1 0 "[ ]"
1 64 GLY 0.475 0.475 1 0 "[ ]"
1 65 CYS 0.013 0.013 1 0 "[ ]"
1 67 ILE 0.201 0.111 1 0 "[ ]"
1 68 LYS 0.786 0.425 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 1 ALA HA 1 4 VAL QG . . 6.500 3.386 3.386 3.386 . 0 0 "[ ]" 1
2 1 2 ASP H 1 3 VAL H . . 5.500 4.022 4.022 4.022 . 0 0 "[ ]" 1
3 1 2 ASP HA 1 3 VAL H . . 4.400 3.263 3.263 3.263 . 0 0 "[ ]" 1
4 1 2 ASP HA 1 3 VAL MG2 . . 6.500 4.269 4.269 4.269 . 0 0 "[ ]" 1
5 1 2 ASP HA 1 17 HIS H . . 4.700 4.638 4.638 4.638 . 0 0 "[ ]" 1
6 1 2 ASP HA 1 17 HIS HB2 . . 4.900 3.971 3.971 3.971 . 0 0 "[ ]" 1
7 1 2 ASP HA 1 17 HIS HB3 . . 4.000 2.555 2.555 2.555 . 0 0 "[ ]" 1
8 1 2 ASP HA 1 18 LYS H . . 3.400 2.851 2.851 2.851 . 0 0 "[ ]" 1
9 1 2 ASP HA 1 18 LYS HA . . 4.400 4.107 4.107 4.107 . 0 0 "[ ]" 1
10 1 2 ASP HA 1 18 LYS HB2 . . 3.800 2.483 2.483 2.483 . 0 0 "[ ]" 1
11 1 2 ASP HA 1 18 LYS HB3 . . 4.200 3.934 3.934 3.934 . 0 0 "[ ]" 1
12 1 2 ASP HA 1 18 LYS QD . . 6.500 4.110 4.110 4.110 . 0 0 "[ ]" 1
13 1 2 ASP HA 1 18 LYS HG3 . . 5.400 4.505 4.505 4.505 . 0 0 "[ ]" 1
14 1 2 ASP HA 1 19 ALA H . . 5.500 5.432 5.432 5.432 . 0 0 "[ ]" 1
15 1 2 ASP HB2 1 3 VAL H . . 5.500 2.399 2.399 2.399 . 0 0 "[ ]" 1
16 1 2 ASP HB2 1 18 LYS HB2 . . 4.300 4.194 4.194 4.194 . 0 0 "[ ]" 1
17 1 2 ASP HB3 1 3 VAL H . . 4.000 2.108 2.108 2.108 . 0 0 "[ ]" 1
18 1 2 ASP HB3 1 3 VAL MG2 . . 6.400 3.052 3.052 3.052 . 0 0 "[ ]" 1
19 1 3 VAL H 1 3 VAL HB . . 3.400 2.574 2.574 2.574 . 0 0 "[ ]" 1
20 1 3 VAL H 1 4 VAL H . . 4.500 4.529 4.529 4.529 0.029 1 0 "[ ]" 1
21 1 3 VAL H 1 4 VAL QG . . 6.500 4.588 4.588 4.588 . 0 0 "[ ]" 1
22 1 3 VAL H 1 16 ASP HA . . 5.500 4.718 4.718 4.718 . 0 0 "[ ]" 1
23 1 3 VAL H 1 17 HIS H . . 5.500 4.820 4.820 4.820 . 0 0 "[ ]" 1
24 1 3 VAL H 1 18 LYS H . . 5.100 3.999 3.999 3.999 . 0 0 "[ ]" 1
25 1 3 VAL HA 1 4 VAL H . . 2.700 2.169 2.169 2.169 . 0 0 "[ ]" 1
26 1 3 VAL HA 1 4 VAL HB . . 4.800 4.698 4.698 4.698 . 0 0 "[ ]" 1
27 1 3 VAL HA 1 4 VAL QG . . 6.500 3.789 3.789 3.789 . 0 0 "[ ]" 1
28 1 3 VAL HA 1 16 ASP HA . . 3.000 2.418 2.418 2.418 . 0 0 "[ ]" 1
29 1 3 VAL HA 1 16 ASP HB2 . . 5.500 5.321 5.321 5.321 . 0 0 "[ ]" 1
30 1 3 VAL HA 1 17 HIS H . . 3.200 2.578 2.578 2.578 . 0 0 "[ ]" 1
31 1 3 VAL HA 1 17 HIS HB2 . . 5.500 3.587 3.587 3.587 . 0 0 "[ ]" 1
32 1 3 VAL HB 1 4 VAL H . . 5.300 4.374 4.374 4.374 . 0 0 "[ ]" 1
33 1 3 VAL HB 1 16 ASP HA . . 5.500 4.656 4.656 4.656 . 0 0 "[ ]" 1
34 1 3 VAL MG1 1 4 VAL H . . 5.700 2.978 2.978 2.978 . 0 0 "[ ]" 1
35 1 3 VAL MG1 1 14 THR MG . . 5.800 2.124 2.124 2.124 . 0 0 "[ ]" 1
36 1 3 VAL MG1 1 15 PHE H . . 6.200 4.052 4.052 4.052 . 0 0 "[ ]" 1
37 1 3 VAL MG1 1 16 ASP HA . . 6.500 2.504 2.504 2.504 . 0 0 "[ ]" 1
38 1 3 VAL MG1 1 17 HIS H . . 6.500 3.966 3.966 3.966 . 0 0 "[ ]" 1
39 1 3 VAL MG2 1 4 VAL H . . 6.500 4.170 4.170 4.170 . 0 0 "[ ]" 1
40 1 3 VAL MG2 1 14 THR MG . . 7.200 3.778 3.778 3.778 . 0 0 "[ ]" 1
41 1 3 VAL MG2 1 16 ASP HA . . 5.500 2.379 2.379 2.379 . 0 0 "[ ]" 1
42 1 3 VAL MG2 1 16 ASP HB2 . . 6.500 4.128 4.128 4.128 . 0 0 "[ ]" 1
43 1 3 VAL MG2 1 17 HIS H . . 6.500 3.843 3.843 3.843 . 0 0 "[ ]" 1
44 1 3 VAL MG2 1 18 LYS H . . 6.500 3.497 3.497 3.497 . 0 0 "[ ]" 1
45 1 4 VAL H 1 4 VAL HB . . 3.500 2.631 2.631 2.631 . 0 0 "[ ]" 1
46 1 4 VAL H 1 5 THR H . . 5.500 4.421 4.421 4.421 . 0 0 "[ ]" 1
47 1 4 VAL H 1 15 PHE QB . . 5.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
48 1 4 VAL H 1 16 ASP HA . . 3.800 3.608 3.608 3.608 . 0 0 "[ ]" 1
49 1 4 VAL H 1 17 HIS H . . 3.800 2.933 2.933 2.933 . 0 0 "[ ]" 1
50 1 4 VAL H 1 17 HIS HB2 . . 5.500 3.359 3.359 3.359 . 0 0 "[ ]" 1
51 1 4 VAL H 1 17 HIS HB3 . . 5.500 4.636 4.636 4.636 . 0 0 "[ ]" 1
52 1 4 VAL H 1 18 LYS H . . 5.500 5.039 5.039 5.039 . 0 0 "[ ]" 1
53 1 4 VAL HB 1 5 THR H . . 5.300 4.310 4.310 4.310 . 0 0 "[ ]" 1
54 1 4 VAL HB 1 6 TYR CZ . . 7.500 6.060 6.060 6.060 . 0 0 "[ ]" 1
55 1 4 VAL HB 1 15 PHE CG . . 7.500 3.952 3.952 3.952 . 0 0 "[ ]" 1
56 1 4 VAL HB 1 15 PHE H . . 4.400 3.901 3.901 3.901 . 0 0 "[ ]" 1
57 1 4 VAL HB 1 15 PHE QB . . 3.600 2.267 2.267 2.267 . 0 0 "[ ]" 1
58 1 4 VAL QG 1 5 THR H . . 5.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
59 1 4 VAL QG 1 5 THR HA . . 6.500 3.902 3.902 3.902 . 0 0 "[ ]" 1
60 1 4 VAL QG 1 5 THR HB . . 6.500 4.549 4.549 4.549 . 0 0 "[ ]" 1
61 1 4 VAL QG 1 6 TYR CG . . 8.500 4.182 4.182 4.182 . 0 0 "[ ]" 1
62 1 4 VAL QG 1 6 TYR CZ . . 8.500 4.171 4.171 4.171 . 0 0 "[ ]" 1
63 1 4 VAL QG 1 6 TYR H . . 6.500 3.986 3.986 3.986 . 0 0 "[ ]" 1
64 1 4 VAL QG 1 6 TYR QB . . 5.800 4.499 4.499 4.499 . 0 0 "[ ]" 1
65 1 4 VAL QG 1 15 PHE CG . . 8.500 4.181 4.181 4.181 . 0 0 "[ ]" 1
66 1 4 VAL QG 1 15 PHE CZ . . 8.500 4.876 4.876 4.876 . 0 0 "[ ]" 1
67 1 4 VAL QG 1 15 PHE H . . 6.500 4.045 4.045 4.045 . 0 0 "[ ]" 1
68 1 4 VAL QG 1 15 PHE QB . . 6.500 3.149 3.149 3.149 . 0 0 "[ ]" 1
69 1 4 VAL QG 1 17 HIS H . . 6.500 3.989 3.989 3.989 . 0 0 "[ ]" 1
70 1 4 VAL QG 1 17 HIS HB2 . . 6.500 2.938 2.938 2.938 . 0 0 "[ ]" 1
71 1 4 VAL QG 1 17 HIS HB3 . . 6.500 3.800 3.800 3.800 . 0 0 "[ ]" 1
72 1 4 VAL QG 1 18 LYS H . . 6.500 5.167 5.167 5.167 . 0 0 "[ ]" 1
73 1 5 THR H 1 5 THR HB . . 3.800 2.331 2.331 2.331 . 0 0 "[ ]" 1
74 1 5 THR H 1 6 TYR H . . 5.500 4.329 4.329 4.329 . 0 0 "[ ]" 1
75 1 5 THR HA 1 6 TYR CG . . 7.500 5.343 5.343 5.343 . 0 0 "[ ]" 1
76 1 5 THR HA 1 6 TYR H . . 3.100 2.103 2.103 2.103 . 0 0 "[ ]" 1
77 1 5 THR HA 1 6 TYR QB . . 5.200 4.063 4.063 4.063 . 0 0 "[ ]" 1
78 1 5 THR HA 1 13 VAL H . . 5.500 4.008 4.008 4.008 . 0 0 "[ ]" 1
79 1 5 THR HA 1 14 THR H . . 5.100 2.507 2.507 2.507 . 0 0 "[ ]" 1
80 1 5 THR HA 1 14 THR HA . . 3.900 2.272 2.272 2.272 . 0 0 "[ ]" 1
81 1 5 THR HA 1 14 THR MG . . 6.500 4.210 4.210 4.210 . 0 0 "[ ]" 1
82 1 5 THR HA 1 15 PHE H . . 4.200 3.067 3.067 3.067 . 0 0 "[ ]" 1
83 1 5 THR HB 1 6 TYR H . . 5.000 4.593 4.593 4.593 . 0 0 "[ ]" 1
84 1 5 THR HB 1 7 GLU HG2 . . 5.500 4.579 4.579 4.579 . 0 0 "[ ]" 1
85 1 5 THR MG 1 6 TYR H . . 5.700 3.261 3.261 3.261 . 0 0 "[ ]" 1
86 1 5 THR MG 1 7 GLU H . . 6.500 3.605 3.605 3.605 . 0 0 "[ ]" 1
87 1 5 THR MG 1 7 GLU HG2 . . 6.500 2.122 2.122 2.122 . 0 0 "[ ]" 1
88 1 5 THR MG 1 7 GLU HG3 . . 6.400 2.506 2.506 2.506 . 0 0 "[ ]" 1
89 1 5 THR MG 1 12 ASN HA . . 6.100 4.089 4.089 4.089 . 0 0 "[ ]" 1
90 1 5 THR MG 1 12 ASN HB2 . . 5.200 2.089 2.089 2.089 . 0 0 "[ ]" 1
91 1 5 THR MG 1 12 ASN HB3 . . 5.600 3.270 3.270 3.270 . 0 0 "[ ]" 1
92 1 5 THR MG 1 12 ASN HD21 . . 6.100 2.458 2.458 2.458 . 0 0 "[ ]" 1
93 1 5 THR MG 1 12 ASN HD22 . . 6.400 3.005 3.005 3.005 . 0 0 "[ ]" 1
94 1 5 THR MG 1 13 VAL H . . 6.500 3.250 3.250 3.250 . 0 0 "[ ]" 1
95 1 5 THR MG 1 14 THR HA . . 5.800 3.814 3.814 3.814 . 0 0 "[ ]" 1
96 1 6 TYR CG 1 7 GLU H . . 7.500 4.688 4.688 4.688 . 0 0 "[ ]" 1
97 1 6 TYR CG 1 7 GLU HG3 . . 6.400 6.522 6.522 6.522 0.122 1 0 "[ ]" 1
98 1 6 TYR CG 1 12 ASN HA . . 7.500 6.491 6.491 6.491 . 0 0 "[ ]" 1
99 1 6 TYR CG 1 13 VAL H . . 7.500 5.537 5.537 5.537 . 0 0 "[ ]" 1
100 1 6 TYR CG 1 13 VAL MG1 . . 8.500 3.521 3.521 3.521 . 0 0 "[ ]" 1
101 1 6 TYR CG 1 13 VAL MG2 . . 8.500 5.553 5.553 5.553 . 0 0 "[ ]" 1
102 1 6 TYR CG 1 15 PHE H . . 7.400 5.874 5.874 5.874 . 0 0 "[ ]" 1
103 1 6 TYR CG 1 15 PHE QB . . 7.500 5.715 5.715 5.715 . 0 0 "[ ]" 1
104 1 6 TYR CG 1 39 ILE HB . . 7.500 5.330 5.330 5.330 . 0 0 "[ ]" 1
105 1 6 TYR CZ 1 6 TYR H . . 6.500 5.845 5.845 5.845 . 0 0 "[ ]" 1
106 1 6 TYR CZ 1 13 VAL MG1 . . 8.500 5.426 5.426 5.426 . 0 0 "[ ]" 1
107 1 6 TYR CZ 1 13 VAL MG2 . . 8.500 7.034 7.034 7.034 . 0 0 "[ ]" 1
108 1 6 TYR CZ 1 15 PHE CZ . . 9.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
109 1 6 TYR CZ 1 15 PHE QB . . 6.200 5.790 5.790 5.790 . 0 0 "[ ]" 1
110 1 6 TYR CZ 1 15 PHE HZ . . 6.600 3.024 3.024 3.024 . 0 0 "[ ]" 1
111 1 6 TYR CZ 1 39 ILE H . . 7.500 5.033 5.033 5.033 . 0 0 "[ ]" 1
112 1 6 TYR CZ 1 39 ILE HB . . 6.700 3.454 3.454 3.454 . 0 0 "[ ]" 1
113 1 6 TYR CZ 1 39 ILE MD . . 8.500 5.927 5.927 5.927 . 0 0 "[ ]" 1
114 1 6 TYR CZ 1 39 ILE HG12 . . 7.500 5.266 5.266 5.266 . 0 0 "[ ]" 1
115 1 6 TYR CZ 1 39 ILE HG13 . . 7.500 4.865 4.865 4.865 . 0 0 "[ ]" 1
116 1 6 TYR CZ 1 39 ILE MG . . 8.500 4.150 4.150 4.150 . 0 0 "[ ]" 1
117 1 6 TYR H 1 6 TYR QB . . 3.500 2.108 2.108 2.108 . 0 0 "[ ]" 1
118 1 6 TYR H 1 7 GLU H . . 5.500 4.204 4.204 4.204 . 0 0 "[ ]" 1
119 1 6 TYR H 1 12 ASN HA . . 5.200 4.828 4.828 4.828 . 0 0 "[ ]" 1
120 1 6 TYR H 1 12 ASN HB2 . . 5.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
121 1 6 TYR H 1 13 VAL H . . 3.400 3.104 3.104 3.104 . 0 0 "[ ]" 1
122 1 6 TYR H 1 13 VAL HA . . 5.500 5.500 5.500 5.500 . 0 0 "[ ]" 1
123 1 6 TYR H 1 13 VAL MG1 . . 6.500 2.696 2.696 2.696 . 0 0 "[ ]" 1
124 1 6 TYR H 1 13 VAL MG2 . . 6.500 4.727 4.727 4.727 . 0 0 "[ ]" 1
125 1 6 TYR H 1 14 THR H . . 4.500 2.590 2.590 2.590 . 0 0 "[ ]" 1
126 1 6 TYR H 1 14 THR HA . . 4.700 3.630 3.630 3.630 . 0 0 "[ ]" 1
127 1 6 TYR H 1 14 THR MG . . 6.500 5.570 5.570 5.570 . 0 0 "[ ]" 1
128 1 6 TYR H 1 15 PHE H . . 4.100 3.740 3.740 3.740 . 0 0 "[ ]" 1
129 1 6 TYR HA 1 7 GLU H . . 5.100 2.217 2.217 2.217 . 0 0 "[ ]" 1
130 1 6 TYR QB 1 7 GLU H . . 5.300 3.802 3.802 3.802 . 0 0 "[ ]" 1
131 1 6 TYR QB 1 8 ASN HD21 . . 5.000 2.838 2.838 2.838 . 0 0 "[ ]" 1
132 1 6 TYR QB 1 8 ASN HD22 . . 5.500 4.138 4.138 4.138 . 0 0 "[ ]" 1
133 1 6 TYR QB 1 12 ASN HB2 . . 4.500 4.488 4.488 4.488 . 0 0 "[ ]" 1
134 1 6 TYR QB 1 13 VAL H . . 4.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
135 1 6 TYR QB 1 13 VAL HA . . 5.500 5.261 5.261 5.261 . 0 0 "[ ]" 1
136 1 6 TYR QB 1 13 VAL HB . . 5.500 4.245 4.245 4.245 . 0 0 "[ ]" 1
137 1 6 TYR QB 1 39 ILE MG . . 6.500 4.715 4.715 4.715 . 0 0 "[ ]" 1
138 1 7 GLU H 1 7 GLU HB2 . . 3.700 2.505 2.505 2.505 . 0 0 "[ ]" 1
139 1 7 GLU H 1 7 GLU HB3 . . 4.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
140 1 7 GLU H 1 7 GLU HG2 . . 5.000 2.702 2.702 2.702 . 0 0 "[ ]" 1
141 1 7 GLU H 1 7 GLU HG3 . . 3.900 2.183 2.183 2.183 . 0 0 "[ ]" 1
142 1 7 GLU H 1 13 VAL H . . 5.500 5.296 5.296 5.296 . 0 0 "[ ]" 1
143 1 7 GLU HA 1 7 GLU HG2 . . 3.700 2.233 2.233 2.233 . 0 0 "[ ]" 1
144 1 7 GLU HA 1 8 ASN H . . 3.200 2.138 2.138 2.138 . 0 0 "[ ]" 1
145 1 7 GLU HA 1 8 ASN HD21 . . 4.700 3.584 3.584 3.584 . 0 0 "[ ]" 1
146 1 7 GLU HA 1 8 ASN HD22 . . 5.500 4.493 4.493 4.493 . 0 0 "[ ]" 1
147 1 7 GLU HA 1 12 ASN HA . . 3.400 3.078 3.078 3.078 . 0 0 "[ ]" 1
148 1 7 GLU HA 1 12 ASN HB2 . . 4.400 2.870 2.870 2.870 . 0 0 "[ ]" 1
149 1 7 GLU HA 1 12 ASN HD21 . . 5.500 3.917 3.917 3.917 . 0 0 "[ ]" 1
150 1 7 GLU HA 1 12 ASN HD22 . . 5.500 5.410 5.410 5.410 . 0 0 "[ ]" 1
151 1 7 GLU HA 1 13 VAL H . . 5.100 4.456 4.456 4.456 . 0 0 "[ ]" 1
152 1 7 GLU HB2 1 7 GLU HG2 . . 2.900 2.970 2.970 2.970 0.070 1 0 "[ ]" 1
153 1 7 GLU HB2 1 8 ASN H . . 5.200 4.529 4.529 4.529 . 0 0 "[ ]" 1
154 1 7 GLU HB3 1 7 GLU HG2 . . 2.800 2.677 2.677 2.677 . 0 0 "[ ]" 1
155 1 7 GLU HB3 1 8 ASN H . . 4.700 4.071 4.071 4.071 . 0 0 "[ ]" 1
156 1 7 GLU HG2 1 12 ASN HD21 . . 4.800 2.639 2.639 2.639 . 0 0 "[ ]" 1
157 1 7 GLU HG2 1 12 ASN HD22 . . 4.500 4.332 4.332 4.332 . 0 0 "[ ]" 1
158 1 7 GLU HG3 1 12 ASN HD22 . . 5.500 5.720 5.720 5.720 0.220 1 0 "[ ]" 1
159 1 8 ASN H 1 8 ASN HD21 . . 4.400 2.009 2.009 2.009 . 0 0 "[ ]" 1
160 1 8 ASN H 1 8 ASN HD22 . . 5.100 2.951 2.951 2.951 . 0 0 "[ ]" 1
161 1 8 ASN H 1 10 ALA H . . 4.700 4.720 4.720 4.720 0.020 1 0 "[ ]" 1
162 1 8 ASN H 1 11 GLY H . . 4.500 4.520 4.520 4.520 0.020 1 0 "[ ]" 1
163 1 8 ASN H 1 12 ASN H . . 5.500 4.691 4.691 4.691 . 0 0 "[ ]" 1
164 1 8 ASN H 1 12 ASN HA . . 4.400 2.812 2.812 2.812 . 0 0 "[ ]" 1
165 1 8 ASN H 1 13 VAL H . . 4.800 4.611 4.611 4.611 . 0 0 "[ ]" 1
166 1 8 ASN HA 1 8 ASN HB2 . . 3.100 2.422 2.422 2.422 . 0 0 "[ ]" 1
167 1 8 ASN HA 1 9 ALA H . . 4.600 2.492 2.492 2.492 . 0 0 "[ ]" 1
168 1 8 ASN HA 1 9 ALA MB . . 4.900 4.093 4.093 4.093 . 0 0 "[ ]" 1
169 1 8 ASN HB2 1 8 ASN HD21 . . 3.300 3.639 3.639 3.639 0.339 1 0 "[ ]" 1
170 1 8 ASN HB2 1 9 ALA H . . 3.400 2.342 2.342 2.342 . 0 0 "[ ]" 1
171 1 8 ASN HB2 1 10 ALA H . . 4.900 3.169 3.169 3.169 . 0 0 "[ ]" 1
172 1 8 ASN HB2 1 11 GLY H . . 5.500 5.142 5.142 5.142 . 0 0 "[ ]" 1
173 1 8 ASN HB3 1 8 ASN HD22 . . 4.300 3.647 3.647 3.647 . 0 0 "[ ]" 1
174 1 8 ASN HB3 1 9 ALA H . . 3.700 3.760 3.760 3.760 0.060 1 0 "[ ]" 1
175 1 8 ASN HB3 1 10 ALA H . . 5.500 4.509 4.509 4.509 . 0 0 "[ ]" 1
176 1 8 ASN HD21 1 11 GLY H . . 5.500 5.182 5.182 5.182 . 0 0 "[ ]" 1
177 1 8 ASN HD21 1 12 ASN HA . . 3.900 2.620 2.620 2.620 . 0 0 "[ ]" 1
178 1 8 ASN HD21 1 13 VAL H . . 3.900 3.715 3.715 3.715 . 0 0 "[ ]" 1
179 1 8 ASN HD21 1 13 VAL HB . . 5.200 4.037 4.037 4.037 . 0 0 "[ ]" 1
180 1 8 ASN HD21 1 13 VAL MG1 . . 6.500 2.650 2.650 2.650 . 0 0 "[ ]" 1
181 1 8 ASN HD22 1 11 GLY H . . 5.400 4.138 4.138 4.138 . 0 0 "[ ]" 1
182 1 8 ASN HD22 1 12 ASN HA . . 3.900 2.342 2.342 2.342 . 0 0 "[ ]" 1
183 1 8 ASN HD22 1 13 VAL H . . 4.300 3.752 3.752 3.752 . 0 0 "[ ]" 1
184 1 8 ASN HD22 1 13 VAL HB . . 4.700 3.168 3.168 3.168 . 0 0 "[ ]" 1
185 1 8 ASN HD22 1 13 VAL MG1 . . 6.500 2.957 2.957 2.957 . 0 0 "[ ]" 1
186 1 9 ALA H 1 9 ALA MB . . 3.300 2.207 2.207 2.207 . 0 0 "[ ]" 1
187 1 9 ALA H 1 10 ALA H . . 3.900 2.735 2.735 2.735 . 0 0 "[ ]" 1
188 1 9 ALA H 1 11 GLY H . . 5.000 4.671 4.671 4.671 . 0 0 "[ ]" 1
189 1 9 ALA HA 1 10 ALA H . . 4.300 3.532 3.532 3.532 . 0 0 "[ ]" 1
190 1 9 ALA HA 1 11 GLY H . . 5.500 3.865 3.865 3.865 . 0 0 "[ ]" 1
191 1 9 ALA MB 1 10 ALA H . . 4.200 2.920 2.920 2.920 . 0 0 "[ ]" 1
192 1 9 ALA MB 1 11 GLY H . . 5.300 4.456 4.456 4.456 . 0 0 "[ ]" 1
193 1 10 ALA H 1 11 GLY H . . 3.200 2.774 2.774 2.774 . 0 0 "[ ]" 1
194 1 10 ALA H 1 11 GLY QA . . 5.500 4.628 4.628 4.628 . 0 0 "[ ]" 1
195 1 10 ALA MB 1 11 GLY H . . 5.600 3.555 3.555 3.555 . 0 0 "[ ]" 1
196 1 11 GLY H 1 12 ASN H . . 4.400 3.915 3.915 3.915 . 0 0 "[ ]" 1
197 1 11 GLY QA 1 12 ASN H . . 3.100 2.188 2.188 2.188 . 0 0 "[ ]" 1
198 1 11 GLY QA 1 12 ASN HA . . 5.300 4.043 4.043 4.043 . 0 0 "[ ]" 1
199 1 11 GLY QA 1 67 ILE H . . 4.500 3.219 3.219 3.219 . 0 0 "[ ]" 1
200 1 11 GLY QA 1 67 ILE HG12 . . 4.500 4.590 4.590 4.590 0.090 1 0 "[ ]" 1
201 1 11 GLY QA 1 68 LYS HA . . 5.500 4.234 4.234 4.234 . 0 0 "[ ]" 1
202 1 11 GLY QA 1 68 LYS HB2 . . 5.500 5.121 5.121 5.121 . 0 0 "[ ]" 1
203 1 12 ASN H 1 12 ASN HB2 . . 4.200 3.709 3.709 3.709 . 0 0 "[ ]" 1
204 1 12 ASN H 1 12 ASN HB3 . . 3.600 2.770 2.770 2.770 . 0 0 "[ ]" 1
205 1 12 ASN H 1 12 ASN HD21 . . 5.500 4.364 4.364 4.364 . 0 0 "[ ]" 1
206 1 12 ASN H 1 12 ASN HD22 . . 5.500 4.319 4.319 4.319 . 0 0 "[ ]" 1
207 1 12 ASN H 1 13 VAL H . . 5.000 4.607 4.607 4.607 . 0 0 "[ ]" 1
208 1 12 ASN HA 1 12 ASN HD21 . . 4.600 4.712 4.712 4.712 0.112 1 0 "[ ]" 1
209 1 12 ASN HA 1 13 VAL H . . 2.800 2.365 2.365 2.365 . 0 0 "[ ]" 1
210 1 12 ASN HA 1 13 VAL MG1 . . 6.500 2.991 2.991 2.991 . 0 0 "[ ]" 1
211 1 12 ASN HB2 1 13 VAL H . . 3.800 2.434 2.434 2.434 . 0 0 "[ ]" 1
212 1 12 ASN HB3 1 12 ASN HD21 . . 3.600 2.536 2.536 2.536 . 0 0 "[ ]" 1
213 1 12 ASN HB3 1 12 ASN HD22 . . 4.300 3.582 3.582 3.582 . 0 0 "[ ]" 1
214 1 12 ASN HB3 1 13 VAL H . . 4.100 3.793 3.793 3.793 . 0 0 "[ ]" 1
215 1 12 ASN HD21 1 13 VAL H . . 5.500 5.213 5.213 5.213 . 0 0 "[ ]" 1
216 1 13 VAL H 1 13 VAL HB . . 4.300 3.107 3.107 3.107 . 0 0 "[ ]" 1
217 1 13 VAL H 1 13 VAL MG1 . . 4.500 1.961 1.961 1.961 . 0 0 "[ ]" 1
218 1 13 VAL H 1 14 THR H . . 4.500 2.251 2.251 2.251 . 0 0 "[ ]" 1
219 1 13 VAL H 1 67 ILE H . . 5.500 4.993 4.993 4.993 . 0 0 "[ ]" 1
220 1 13 VAL HA 1 14 THR H . . 2.800 3.500 3.500 3.500 0.700 1 1 [+] 1
221 1 13 VAL HA 1 14 THR HA . . 5.500 5.251 5.251 5.251 . 0 0 "[ ]" 1
222 1 13 VAL HA 1 14 THR HB . . 4.700 4.105 4.105 4.105 . 0 0 "[ ]" 1
223 1 13 VAL HA 1 67 ILE H . . 4.300 3.568 3.568 3.568 . 0 0 "[ ]" 1
224 1 13 VAL HB 1 67 ILE H . . 5.400 4.740 4.740 4.740 . 0 0 "[ ]" 1
225 1 13 VAL MG1 1 14 THR H . . 6.500 2.683 2.683 2.683 . 0 0 "[ ]" 1
226 1 13 VAL MG1 1 15 PHE CZ . . 8.500 3.938 3.938 3.938 . 0 0 "[ ]" 1
227 1 13 VAL MG2 1 14 THR H . . 5.200 3.734 3.734 3.734 . 0 0 "[ ]" 1
228 1 13 VAL MG2 1 15 PHE CG . . 8.500 4.841 4.841 4.841 . 0 0 "[ ]" 1
229 1 13 VAL MG2 1 15 PHE CZ . . 8.500 4.710 4.710 4.710 . 0 0 "[ ]" 1
230 1 13 VAL MG2 1 15 PHE H . . 6.500 4.689 4.689 4.689 . 0 0 "[ ]" 1
231 1 13 VAL MG2 1 65 CYS HA . . 6.500 3.384 3.384 3.384 . 0 0 "[ ]" 1
232 1 13 VAL MG2 1 65 CYS HB2 . . 6.500 3.619 3.619 3.619 . 0 0 "[ ]" 1
233 1 13 VAL MG2 1 65 CYS HB3 . . 6.500 2.146 2.146 2.146 . 0 0 "[ ]" 1
234 1 14 THR H 1 14 THR HB . . 3.400 3.405 3.405 3.405 0.005 1 0 "[ ]" 1
235 1 14 THR H 1 15 PHE H . . 3.400 3.437 3.437 3.437 0.037 1 0 "[ ]" 1
236 1 14 THR HA 1 15 PHE H . . 2.900 2.100 2.100 2.100 . 0 0 "[ ]" 1
237 1 14 THR HA 1 15 PHE QB . . 4.400 4.238 4.238 4.238 . 0 0 "[ ]" 1
238 1 14 THR HB 1 15 PHE H . . 4.800 4.584 4.584 4.584 . 0 0 "[ ]" 1
239 1 14 THR MG 1 15 PHE H . . 5.400 3.470 3.470 3.470 . 0 0 "[ ]" 1
240 1 14 THR MG 1 16 ASP HA . . 6.500 3.602 3.602 3.602 . 0 0 "[ ]" 1
241 1 14 THR MG 1 16 ASP HB2 . . 6.500 4.566 4.566 4.566 . 0 0 "[ ]" 1
242 1 15 PHE CG 1 39 ILE HB . . 7.000 5.983 5.983 5.983 . 0 0 "[ ]" 1
243 1 15 PHE CG 1 39 ILE MD . . 8.500 5.878 5.878 5.878 . 0 0 "[ ]" 1
244 1 15 PHE CG 1 39 ILE HG12 . . 7.500 6.535 6.535 6.535 . 0 0 "[ ]" 1
245 1 15 PHE CG 1 39 ILE HG13 . . 7.500 5.006 5.006 5.006 . 0 0 "[ ]" 1
246 1 15 PHE CG 1 39 ILE MG . . 8.500 4.803 4.803 4.803 . 0 0 "[ ]" 1
247 1 15 PHE CZ 1 39 ILE MG . . 8.500 2.687 2.687 2.687 . 0 0 "[ ]" 1
248 1 15 PHE H 1 15 PHE QB . . 3.500 2.327 2.327 2.327 . 0 0 "[ ]" 1
249 1 15 PHE H 1 16 ASP H . . 5.500 4.312 4.312 4.312 . 0 0 "[ ]" 1
250 1 15 PHE HA 1 16 ASP H . . 3.900 2.385 2.385 2.385 . 0 0 "[ ]" 1
251 1 15 PHE HA 1 16 ASP HB2 . . 5.500 5.285 5.285 5.285 . 0 0 "[ ]" 1
252 1 15 PHE HZ 1 39 ILE MG . . 6.500 2.184 2.184 2.184 . 0 0 "[ ]" 1
253 1 16 ASP H 1 16 ASP HB2 . . 3.900 2.935 2.935 2.935 . 0 0 "[ ]" 1
254 1 16 ASP H 1 17 HIS H . . 4.800 3.706 3.706 3.706 . 0 0 "[ ]" 1
255 1 16 ASP HA 1 17 HIS H . . 2.900 2.373 2.373 2.373 . 0 0 "[ ]" 1
256 1 16 ASP HA 1 17 HIS HA . . 5.500 4.624 4.624 4.624 . 0 0 "[ ]" 1
257 1 16 ASP HA 1 17 HIS HB2 . . 4.700 4.327 4.327 4.327 . 0 0 "[ ]" 1
258 1 16 ASP HA 1 18 LYS H . . 3.800 3.618 3.618 3.618 . 0 0 "[ ]" 1
259 1 16 ASP HA 1 19 ALA H . . 5.500 3.695 3.695 3.695 . 0 0 "[ ]" 1
260 1 16 ASP HB2 1 17 HIS H . . 4.800 4.401 4.401 4.401 . 0 0 "[ ]" 1
261 1 16 ASP HB2 1 19 ALA H . . 5.500 3.234 3.234 3.234 . 0 0 "[ ]" 1
262 1 16 ASP HB2 1 19 ALA MB . . 6.100 2.173 2.173 2.173 . 0 0 "[ ]" 1
263 1 16 ASP HB3 1 17 HIS H . . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
264 1 16 ASP HB3 1 19 ALA H . . 5.500 2.824 2.824 2.824 . 0 0 "[ ]" 1
265 1 16 ASP HB3 1 19 ALA MB . . 5.500 2.196 2.196 2.196 . 0 0 "[ ]" 1
266 1 17 HIS H 1 17 HIS HB2 . . 3.700 2.024 2.024 2.024 . 0 0 "[ ]" 1
267 1 17 HIS H 1 17 HIS HB3 . . 3.500 2.966 2.966 2.966 . 0 0 "[ ]" 1
268 1 17 HIS H 1 18 LYS H . . 3.300 2.839 2.839 2.839 . 0 0 "[ ]" 1
269 1 17 HIS H 1 18 LYS HB2 . . 5.100 5.142 5.142 5.142 0.042 1 0 "[ ]" 1
270 1 17 HIS H 1 19 ALA H . . 5.500 4.609 4.609 4.609 . 0 0 "[ ]" 1
271 1 17 HIS HA 1 18 LYS H . . 4.400 3.501 3.501 3.501 . 0 0 "[ ]" 1
272 1 17 HIS HA 1 19 ALA H . . 5.500 5.350 5.350 5.350 . 0 0 "[ ]" 1
273 1 17 HIS HA 1 20 HIS H . . 5.500 4.619 4.619 4.619 . 0 0 "[ ]" 1
274 1 17 HIS HA 1 20 HIS HB2 . . 5.500 3.785 3.785 3.785 . 0 0 "[ ]" 1
275 1 17 HIS HA 1 21 ALA H . . 5.500 4.356 4.356 4.356 . 0 0 "[ ]" 1
276 1 17 HIS HB2 1 18 LYS H . . 3.300 3.328 3.328 3.328 0.028 1 0 "[ ]" 1
277 1 18 LYS H 1 18 LYS HB2 . . 3.200 2.409 2.409 2.409 . 0 0 "[ ]" 1
278 1 18 LYS H 1 18 LYS HB3 . . 3.200 2.649 2.649 2.649 . 0 0 "[ ]" 1
279 1 18 LYS H 1 18 LYS HG2 . . 5.500 4.501 4.501 4.501 . 0 0 "[ ]" 1
280 1 18 LYS H 1 18 LYS HG3 . . 5.500 4.291 4.291 4.291 . 0 0 "[ ]" 1
281 1 18 LYS H 1 19 ALA H . . 3.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
282 1 18 LYS H 1 19 ALA HA . . 5.500 5.471 5.471 5.471 . 0 0 "[ ]" 1
283 1 18 LYS H 1 19 ALA MB . . 6.000 4.690 4.690 4.690 . 0 0 "[ ]" 1
284 1 18 LYS H 1 20 HIS H . . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
285 1 18 LYS H 1 21 ALA H . . 5.500 4.796 4.796 4.796 . 0 0 "[ ]" 1
286 1 18 LYS H 1 21 ALA MB . . 6.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
287 1 18 LYS H 1 22 GLU HG2 . . 5.500 5.735 5.735 5.735 0.235 1 0 "[ ]" 1
288 1 18 LYS HA 1 18 LYS HG2 . . 4.100 2.853 2.853 2.853 . 0 0 "[ ]" 1
289 1 18 LYS HA 1 18 LYS HG3 . . 3.300 2.294 2.294 2.294 . 0 0 "[ ]" 1
290 1 18 LYS HA 1 19 ALA H . . 4.400 3.663 3.663 3.663 . 0 0 "[ ]" 1
291 1 18 LYS HA 1 20 HIS H . . 5.500 4.816 4.816 4.816 . 0 0 "[ ]" 1
292 1 18 LYS HA 1 21 ALA H . . 5.200 3.783 3.783 3.783 . 0 0 "[ ]" 1
293 1 18 LYS HA 1 21 ALA MB . . 3.800 2.708 2.708 2.708 . 0 0 "[ ]" 1
294 1 18 LYS HA 1 22 GLU H . . 5.500 3.979 3.979 3.979 . 0 0 "[ ]" 1
295 1 18 LYS HB2 1 19 ALA H . . 3.900 3.629 3.629 3.629 . 0 0 "[ ]" 1
296 1 18 LYS HB3 1 18 LYS HG2 . . 2.800 2.538 2.538 2.538 . 0 0 "[ ]" 1
297 1 18 LYS HB3 1 19 ALA H . . 3.400 2.157 2.157 2.157 . 0 0 "[ ]" 1
298 1 18 LYS HB3 1 19 ALA MB . . 6.500 3.586 3.586 3.586 . 0 0 "[ ]" 1
299 1 18 LYS QD 1 19 ALA H . . 6.500 4.044 4.044 4.044 . 0 0 "[ ]" 1
300 1 18 LYS QE 1 22 GLU HG2 . . 6.500 4.043 4.043 4.043 . 0 0 "[ ]" 1
301 1 18 LYS HG2 1 19 ALA H . . 4.900 3.479 3.479 3.479 . 0 0 "[ ]" 1
302 1 18 LYS HG3 1 19 ALA H . . 5.500 4.501 4.501 4.501 . 0 0 "[ ]" 1
303 1 19 ALA H 1 19 ALA MB . . 3.300 2.202 2.202 2.202 . 0 0 "[ ]" 1
304 1 19 ALA H 1 20 HIS H . . 3.500 2.939 2.939 2.939 . 0 0 "[ ]" 1
305 1 19 ALA H 1 20 HIS HA . . 5.500 5.547 5.547 5.547 0.047 1 0 "[ ]" 1
306 1 19 ALA H 1 20 HIS HB2 . . 5.500 4.950 4.950 4.950 . 0 0 "[ ]" 1
307 1 19 ALA H 1 21 ALA H . . 4.900 4.336 4.336 4.336 . 0 0 "[ ]" 1
308 1 19 ALA H 1 22 GLU H . . 5.500 4.629 4.629 4.629 . 0 0 "[ ]" 1
309 1 19 ALA HA 1 20 HIS H . . 4.500 3.574 3.574 3.574 . 0 0 "[ ]" 1
310 1 19 ALA HA 1 21 ALA H . . 5.500 4.427 4.427 4.427 . 0 0 "[ ]" 1
311 1 19 ALA HA 1 22 GLU H . . 4.600 3.197 3.197 3.197 . 0 0 "[ ]" 1
312 1 19 ALA HA 1 22 GLU HB2 . . 3.200 2.718 2.718 2.718 . 0 0 "[ ]" 1
313 1 19 ALA HA 1 22 GLU HB3 . . 4.300 4.165 4.165 4.165 . 0 0 "[ ]" 1
314 1 19 ALA HA 1 22 GLU HG2 . . 5.200 2.715 2.715 2.715 . 0 0 "[ ]" 1
315 1 19 ALA HA 1 22 GLU HG3 . . 5.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
316 1 19 ALA HA 1 23 LYS H . . 5.500 4.676 4.676 4.676 . 0 0 "[ ]" 1
317 1 19 ALA MB 1 20 HIS H . . 3.600 2.664 2.664 2.664 . 0 0 "[ ]" 1
318 1 19 ALA MB 1 20 HIS HB2 . . 6.500 4.553 4.553 4.553 . 0 0 "[ ]" 1
319 1 19 ALA MB 1 20 HIS HB3 . . 6.400 5.458 5.458 5.458 . 0 0 "[ ]" 1
320 1 20 HIS H 1 20 HIS HB2 . . 4.100 2.296 2.296 2.296 . 0 0 "[ ]" 1
321 1 20 HIS H 1 21 ALA H . . 3.400 2.727 2.727 2.727 . 0 0 "[ ]" 1
322 1 20 HIS H 1 21 ALA MB . . 5.700 4.403 4.403 4.403 . 0 0 "[ ]" 1
323 1 20 HIS H 1 22 GLU H . . 5.500 4.153 4.153 4.153 . 0 0 "[ ]" 1
324 1 20 HIS H 1 22 GLU HB2 . . 5.500 5.310 5.310 5.310 . 0 0 "[ ]" 1
325 1 20 HIS HA 1 21 ALA H . . 5.500 3.624 3.624 3.624 . 0 0 "[ ]" 1
326 1 20 HIS HA 1 22 GLU H . . 5.500 4.547 4.547 4.547 . 0 0 "[ ]" 1
327 1 20 HIS HA 1 23 LYS H . . 5.200 3.801 3.801 3.801 . 0 0 "[ ]" 1
328 1 20 HIS HA 1 23 LYS HB2 . . 5.100 3.441 3.441 3.441 . 0 0 "[ ]" 1
329 1 20 HIS HA 1 23 LYS HD2 . . 5.300 4.324 4.324 4.324 . 0 0 "[ ]" 1
330 1 20 HIS HA 1 23 LYS HG3 . . 5.500 5.344 5.344 5.344 . 0 0 "[ ]" 1
331 1 20 HIS HA 1 24 LEU H . . 5.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
332 1 20 HIS HA 1 24 LEU MD2 . . 6.500 4.889 4.889 4.889 . 0 0 "[ ]" 1
333 1 20 HIS HB2 1 21 ALA H . . 4.300 2.789 2.789 2.789 . 0 0 "[ ]" 1
334 1 20 HIS HB2 1 21 ALA MB . . 6.500 4.248 4.248 4.248 . 0 0 "[ ]" 1
335 1 20 HIS HB3 1 21 ALA H . . 5.500 3.295 3.295 3.295 . 0 0 "[ ]" 1
336 1 20 HIS HB3 1 24 LEU MD2 . . 6.500 4.910 4.910 4.910 . 0 0 "[ ]" 1
337 1 21 ALA H 1 21 ALA MB . . 3.300 2.249 2.249 2.249 . 0 0 "[ ]" 1
338 1 21 ALA H 1 22 GLU H . . 3.700 2.778 2.778 2.778 . 0 0 "[ ]" 1
339 1 21 ALA H 1 22 GLU HA . . 5.500 5.376 5.376 5.376 . 0 0 "[ ]" 1
340 1 21 ALA H 1 23 LYS H . . 5.500 4.268 4.268 4.268 . 0 0 "[ ]" 1
341 1 21 ALA H 1 23 LYS HB2 . . 5.500 5.556 5.556 5.556 0.056 1 0 "[ ]" 1
342 1 21 ALA HA 1 22 GLU H . . 4.200 3.602 3.602 3.602 . 0 0 "[ ]" 1
343 1 21 ALA HA 1 23 LYS H . . 5.100 3.908 3.908 3.908 . 0 0 "[ ]" 1
344 1 21 ALA HA 1 24 LEU H . . 4.700 2.915 2.915 2.915 . 0 0 "[ ]" 1
345 1 21 ALA HA 1 24 LEU HB2 . . 4.700 2.633 2.633 2.633 . 0 0 "[ ]" 1
346 1 21 ALA HA 1 25 GLY H . . 4.500 2.649 2.649 2.649 . 0 0 "[ ]" 1
347 1 21 ALA HA 1 26 CYS HA . . 5.500 4.147 4.147 4.147 . 0 0 "[ ]" 1
348 1 21 ALA MB 1 22 GLU H . . 3.700 2.655 2.655 2.655 . 0 0 "[ ]" 1
349 1 21 ALA MB 1 22 GLU HA . . 5.600 3.895 3.895 3.895 . 0 0 "[ ]" 1
350 1 21 ALA MB 1 22 GLU HB2 . . 6.500 4.874 4.874 4.874 . 0 0 "[ ]" 1
351 1 21 ALA MB 1 22 GLU HB3 . . 6.500 5.413 5.413 5.413 . 0 0 "[ ]" 1
352 1 21 ALA MB 1 22 GLU HG2 . . 6.500 3.523 3.523 3.523 . 0 0 "[ ]" 1
353 1 21 ALA MB 1 22 GLU HG3 . . 6.500 5.075 5.075 5.075 . 0 0 "[ ]" 1
354 1 21 ALA MB 1 23 LYS H . . 6.400 4.422 4.422 4.422 . 0 0 "[ ]" 1
355 1 21 ALA MB 1 25 GLY H . . 6.200 3.517 3.517 3.517 . 0 0 "[ ]" 1
356 1 21 ALA MB 1 26 CYS H . . 6.500 2.625 2.625 2.625 . 0 0 "[ ]" 1
357 1 21 ALA MB 1 26 CYS HA . . 6.500 3.385 3.385 3.385 . 0 0 "[ ]" 1
358 1 22 GLU H 1 22 GLU HB2 . . 3.300 2.605 2.605 2.605 . 0 0 "[ ]" 1
359 1 22 GLU H 1 22 GLU HB3 . . 3.700 3.623 3.623 3.623 . 0 0 "[ ]" 1
360 1 22 GLU H 1 22 GLU HG2 . . 4.200 2.076 2.076 2.076 . 0 0 "[ ]" 1
361 1 22 GLU H 1 22 GLU HG3 . . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
362 1 22 GLU H 1 23 LYS H . . 3.500 2.863 2.863 2.863 . 0 0 "[ ]" 1
363 1 22 GLU H 1 24 LEU H . . 5.500 4.248 4.248 4.248 . 0 0 "[ ]" 1
364 1 22 GLU HA 1 22 GLU HG2 . . 3.600 3.080 3.080 3.080 . 0 0 "[ ]" 1
365 1 22 GLU HA 1 23 LYS H . . 4.400 3.534 3.534 3.534 . 0 0 "[ ]" 1
366 1 22 GLU HA 1 24 LEU H . . 5.500 4.917 4.917 4.917 . 0 0 "[ ]" 1
367 1 22 GLU HB2 1 22 GLU HG2 . . 2.900 2.554 2.554 2.554 . 0 0 "[ ]" 1
368 1 22 GLU HB2 1 22 GLU HG3 . . 2.600 2.383 2.383 2.383 . 0 0 "[ ]" 1
369 1 22 GLU HB2 1 23 LYS H . . 3.600 3.019 3.019 3.019 . 0 0 "[ ]" 1
370 1 22 GLU HB3 1 23 LYS H . . 4.000 4.006 4.006 4.006 0.006 1 0 "[ ]" 1
371 1 22 GLU HG3 1 23 LYS H . . 5.500 5.209 5.209 5.209 . 0 0 "[ ]" 1
372 1 23 LYS H 1 23 LYS HB2 . . 3.500 2.250 2.250 2.250 . 0 0 "[ ]" 1
373 1 23 LYS H 1 23 LYS HB3 . . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
374 1 23 LYS H 1 23 LYS HD2 . . 4.600 4.308 4.308 4.308 . 0 0 "[ ]" 1
375 1 23 LYS H 1 23 LYS HG2 . . 4.700 4.304 4.304 4.304 . 0 0 "[ ]" 1
376 1 23 LYS H 1 23 LYS HG3 . . 3.700 3.301 3.301 3.301 . 0 0 "[ ]" 1
377 1 23 LYS H 1 24 LEU H . . 3.200 2.312 2.312 2.312 . 0 0 "[ ]" 1
378 1 23 LYS H 1 24 LEU HA . . 5.500 5.052 5.052 5.052 . 0 0 "[ ]" 1
379 1 23 LYS H 1 24 LEU HB2 . . 5.200 4.467 4.467 4.467 . 0 0 "[ ]" 1
380 1 23 LYS H 1 24 LEU MD2 . . 6.500 4.910 4.910 4.910 . 0 0 "[ ]" 1
381 1 23 LYS H 1 25 GLY H . . 5.400 3.985 3.985 3.985 . 0 0 "[ ]" 1
382 1 23 LYS HA 1 23 LYS HD2 . . 4.900 4.558 4.558 4.558 . 0 0 "[ ]" 1
383 1 23 LYS HA 1 23 LYS HD3 . . 5.500 4.420 4.420 4.420 . 0 0 "[ ]" 1
384 1 23 LYS HA 1 23 LYS HG2 . . 3.600 2.449 2.449 2.449 . 0 0 "[ ]" 1
385 1 23 LYS HA 1 23 LYS HG3 . . 3.900 2.672 2.672 2.672 . 0 0 "[ ]" 1
386 1 23 LYS HA 1 24 LEU H . . 4.600 3.552 3.552 3.552 . 0 0 "[ ]" 1
387 1 23 LYS HB2 1 23 LYS HD2 . . 3.700 2.563 2.563 2.563 . 0 0 "[ ]" 1
388 1 23 LYS HB2 1 24 LEU H . . 3.900 2.675 2.675 2.675 . 0 0 "[ ]" 1
389 1 23 LYS HB2 1 24 LEU HA . . 5.500 4.642 4.642 4.642 . 0 0 "[ ]" 1
390 1 23 LYS HB3 1 23 LYS HD2 . . 3.800 3.258 3.258 3.258 . 0 0 "[ ]" 1
391 1 23 LYS HB3 1 23 LYS HD3 . . 3.900 2.480 2.480 2.480 . 0 0 "[ ]" 1
392 1 23 LYS HB3 1 24 LEU H . . 4.000 3.123 3.123 3.123 . 0 0 "[ ]" 1
393 1 23 LYS HB3 1 24 LEU HA . . 5.500 3.842 3.842 3.842 . 0 0 "[ ]" 1
394 1 23 LYS HB3 1 24 LEU MD1 . . 6.500 4.347 4.347 4.347 . 0 0 "[ ]" 1
395 1 23 LYS HB3 1 24 LEU MD2 . . 6.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
396 1 23 LYS HG2 1 24 LEU MD2 . . 6.500 4.740 4.740 4.740 . 0 0 "[ ]" 1
397 1 23 LYS HG3 1 24 LEU H . . 5.400 4.724 4.724 4.724 . 0 0 "[ ]" 1
398 1 24 LEU H 1 24 LEU HB2 . . 3.400 2.410 2.410 2.410 . 0 0 "[ ]" 1
399 1 24 LEU H 1 24 LEU HB3 . . 3.900 3.535 3.535 3.535 . 0 0 "[ ]" 1
400 1 24 LEU H 1 24 LEU HG . . 3.300 2.321 2.321 2.321 . 0 0 "[ ]" 1
401 1 24 LEU H 1 25 GLY H . . 3.200 2.680 2.680 2.680 . 0 0 "[ ]" 1
402 1 24 LEU H 1 25 GLY HA2 . . 5.200 4.937 4.937 4.937 . 0 0 "[ ]" 1
403 1 24 LEU HA 1 24 LEU MD2 . . 4.000 2.176 2.176 2.176 . 0 0 "[ ]" 1
404 1 24 LEU HA 1 24 LEU HG . . 3.500 3.197 3.197 3.197 . 0 0 "[ ]" 1
405 1 24 LEU HA 1 25 GLY H . . 4.300 3.412 3.412 3.412 . 0 0 "[ ]" 1
406 1 24 LEU HA 1 28 ALA MB . . 3.800 3.204 3.204 3.204 . 0 0 "[ ]" 1
407 1 24 LEU HB2 1 25 GLY H . . 4.000 3.405 3.405 3.405 . 0 0 "[ ]" 1
408 1 24 LEU HB2 1 28 ALA MB . . 5.700 2.920 2.920 2.920 . 0 0 "[ ]" 1
409 1 24 LEU HB3 1 25 GLY H . . 4.400 4.216 4.216 4.216 . 0 0 "[ ]" 1
410 1 24 LEU HB3 1 28 ALA H . . 5.500 4.087 4.087 4.087 . 0 0 "[ ]" 1
411 1 24 LEU HB3 1 28 ALA MB . . 5.200 1.915 1.915 1.915 . 0 0 "[ ]" 1
412 1 24 LEU MD1 1 25 GLY H . . 6.500 5.116 5.116 5.116 . 0 0 "[ ]" 1
413 1 24 LEU HG 1 25 GLY H . . 5.500 4.730 4.730 4.730 . 0 0 "[ ]" 1
414 1 25 GLY H 1 26 CYS H . . 4.000 2.977 2.977 2.977 . 0 0 "[ ]" 1
415 1 25 GLY HA2 1 26 CYS H . . 3.500 2.725 2.725 2.725 . 0 0 "[ ]" 1
416 1 25 GLY HA2 1 26 CYS HA . . 5.300 4.747 4.747 4.747 . 0 0 "[ ]" 1
417 1 25 GLY HA2 1 27 ASP H . . 5.500 4.586 4.586 4.586 . 0 0 "[ ]" 1
418 1 25 GLY HA2 1 28 ALA H . . 5.500 5.580 5.580 5.580 0.080 1 0 "[ ]" 1
419 1 25 GLY HA3 1 26 CYS H . . 3.500 3.527 3.527 3.527 0.027 1 0 "[ ]" 1
420 1 25 GLY HA3 1 27 ASP H . . 5.500 4.137 4.137 4.137 . 0 0 "[ ]" 1
421 1 25 GLY HA3 1 28 ALA H . . 5.500 4.726 4.726 4.726 . 0 0 "[ ]" 1
422 1 26 CYS H 1 26 CYS HB2 . . 3.600 3.666 3.666 3.666 0.066 1 0 "[ ]" 1
423 1 26 CYS H 1 26 CYS HB3 . . 4.400 4.012 4.012 4.012 . 0 0 "[ ]" 1
424 1 26 CYS H 1 27 ASP H . . 3.800 3.765 3.765 3.765 . 0 0 "[ ]" 1
425 1 26 CYS H 1 28 ALA MB . . 4.700 3.923 3.923 3.923 . 0 0 "[ ]" 1
426 1 26 CYS HA 1 27 ASP H . . 4.700 3.579 3.579 3.579 . 0 0 "[ ]" 1
427 1 26 CYS HA 1 27 ASP HA . . 5.500 4.946 4.946 4.946 . 0 0 "[ ]" 1
428 1 26 CYS HA 1 28 ALA H . . 5.500 4.426 4.426 4.426 . 0 0 "[ ]" 1
429 1 26 CYS HB2 1 27 ASP H . . 3.700 2.282 2.282 2.282 . 0 0 "[ ]" 1
430 1 26 CYS HB2 1 27 ASP HA . . 5.500 4.023 4.023 4.023 . 0 0 "[ ]" 1
431 1 26 CYS HB3 1 27 ASP H . . 4.400 3.471 3.471 3.471 . 0 0 "[ ]" 1
432 1 26 CYS HB3 1 29 CYS HB2 . . 4.700 5.162 5.162 5.162 0.462 1 0 "[ ]" 1
433 1 27 ASP H 1 28 ALA H . . 3.400 2.902 2.902 2.902 . 0 0 "[ ]" 1
434 1 27 ASP H 1 28 ALA HA . . 5.500 5.518 5.518 5.518 0.018 1 0 "[ ]" 1
435 1 27 ASP H 1 28 ALA MB . . 5.100 4.288 4.288 4.288 . 0 0 "[ ]" 1
436 1 27 ASP H 1 29 CYS H . . 5.500 4.400 4.400 4.400 . 0 0 "[ ]" 1
437 1 27 ASP HA 1 28 ALA H . . 4.200 3.509 3.509 3.509 . 0 0 "[ ]" 1
438 1 27 ASP HA 1 28 ALA MB . . 6.500 4.866 4.866 4.866 . 0 0 "[ ]" 1
439 1 27 ASP HA 1 29 CYS H . . 4.900 3.900 3.900 3.900 . 0 0 "[ ]" 1
440 1 27 ASP HA 1 31 GLU HA . . 5.500 4.248 4.248 4.248 . 0 0 "[ ]" 1
441 1 27 ASP HA 1 32 GLY H . . 5.500 3.330 3.330 3.330 . 0 0 "[ ]" 1
442 1 27 ASP QB 1 28 ALA H . . 6.200 2.455 2.455 2.455 . 0 0 "[ ]" 1
443 1 28 ALA H 1 28 ALA MB . . 3.300 2.130 2.130 2.130 . 0 0 "[ ]" 1
444 1 28 ALA H 1 29 CYS H . . 3.200 3.023 3.023 3.023 . 0 0 "[ ]" 1
445 1 28 ALA HA 1 29 CYS H . . 4.400 3.560 3.560 3.560 . 0 0 "[ ]" 1
446 1 28 ALA MB 1 29 CYS H . . 3.900 2.710 2.710 2.710 . 0 0 "[ ]" 1
447 1 29 CYS HB2 1 37 ILE MD . . 6.500 4.536 4.536 4.536 . 0 0 "[ ]" 1
448 1 29 CYS HB3 1 37 ILE MD . . 6.500 3.390 3.390 3.390 . 0 0 "[ ]" 1
449 1 31 GLU H 1 31 GLU HB3 . . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
450 1 31 GLU H 1 32 GLY H . . 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 1
451 1 31 GLU HA 1 32 GLY H . . 3.300 2.327 2.327 2.327 . 0 0 "[ ]" 1
452 1 31 GLU HB2 1 32 GLY H . . 4.900 4.557 4.557 4.557 . 0 0 "[ ]" 1
453 1 31 GLU HB3 1 32 GLY H . . 4.100 4.201 4.201 4.201 0.101 1 0 "[ ]" 1
454 1 32 GLY H 1 33 THR H . . 5.500 3.631 3.631 3.631 . 0 0 "[ ]" 1
455 1 33 THR H 1 33 THR HB . . 4.300 2.567 2.567 2.567 . 0 0 "[ ]" 1
456 1 33 THR HA 1 34 PRO HD2 . . 5.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
457 1 33 THR HB 1 34 PRO HA . . 5.500 5.173 5.173 5.173 . 0 0 "[ ]" 1
458 1 33 THR MG 1 34 PRO HG2 . . 6.500 4.267 4.267 4.267 . 0 0 "[ ]" 1
459 1 33 THR MG 1 35 ALA MB . . 7.500 2.978 2.978 2.978 . 0 0 "[ ]" 1
460 1 34 PRO HA 1 35 ALA H . . 3.300 2.194 2.194 2.194 . 0 0 "[ ]" 1
461 1 34 PRO HA 1 35 ALA MB . . 5.600 3.944 3.944 3.944 . 0 0 "[ ]" 1
462 1 34 PRO HD3 1 34 PRO HG2 . . 2.900 3.004 3.004 3.004 0.104 1 0 "[ ]" 1
463 1 35 ALA HA 1 36 LYS H . . 3.300 2.501 2.501 2.501 . 0 0 "[ ]" 1
464 1 35 ALA HA 1 36 LYS HA . . 5.500 4.274 4.274 4.274 . 0 0 "[ ]" 1
465 1 35 ALA HA 1 36 LYS HB3 . . 5.500 4.636 4.636 4.636 . 0 0 "[ ]" 1
466 1 35 ALA HA 1 36 LYS HG3 . . 5.500 5.470 5.470 5.470 . 0 0 "[ ]" 1
467 1 35 ALA MB 1 36 LYS H . . 3.400 2.317 2.317 2.317 . 0 0 "[ ]" 1
468 1 35 ALA MB 1 36 LYS HB3 . . 6.500 4.795 4.795 4.795 . 0 0 "[ ]" 1
469 1 36 LYS H 1 36 LYS HB3 . . 3.200 2.816 2.816 2.816 . 0 0 "[ ]" 1
470 1 36 LYS H 1 36 LYS HG2 . . 5.500 2.156 2.156 2.156 . 0 0 "[ ]" 1
471 1 36 LYS H 1 36 LYS HG3 . . 2.900 2.977 2.977 2.977 0.077 1 0 "[ ]" 1
472 1 36 LYS H 1 37 ILE H . . 5.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
473 1 36 LYS HA 1 36 LYS HD2 . . 5.400 4.649 4.649 4.649 . 0 0 "[ ]" 1
474 1 36 LYS HA 1 36 LYS HG3 . . 3.500 3.796 3.796 3.796 0.296 1 0 "[ ]" 1
475 1 36 LYS HA 1 37 ILE H . . 2.900 2.152 2.152 2.152 . 0 0 "[ ]" 1
476 1 36 LYS HA 1 37 ILE HA . . 5.500 4.501 4.501 4.501 . 0 0 "[ ]" 1
477 1 36 LYS HA 1 37 ILE HB . . 4.800 4.448 4.448 4.448 . 0 0 "[ ]" 1
478 1 36 LYS HB2 1 36 LYS HD2 . . 3.100 2.348 2.348 2.348 . 0 0 "[ ]" 1
479 1 36 LYS HB2 1 36 LYS HE2 . . 4.400 4.612 4.612 4.612 0.212 1 0 "[ ]" 1
480 1 36 LYS HB2 1 36 LYS HE3 . . 3.900 4.298 4.298 4.298 0.398 1 0 "[ ]" 1
481 1 36 LYS HB2 1 36 LYS HG2 . . 3.000 3.053 3.053 3.053 0.053 1 0 "[ ]" 1
482 1 36 LYS HB2 1 36 LYS HG3 . . 2.900 2.571 2.571 2.571 . 0 0 "[ ]" 1
483 1 36 LYS HB2 1 37 ILE H . . 3.600 3.855 3.855 3.855 0.255 1 0 "[ ]" 1
484 1 36 LYS HB2 1 38 ALA HA . . 5.500 4.963 4.963 4.963 . 0 0 "[ ]" 1
485 1 36 LYS HB3 1 36 LYS HG3 . . 3.100 3.056 3.056 3.056 . 0 0 "[ ]" 1
486 1 36 LYS HB3 1 37 ILE H . . 4.600 4.382 4.382 4.382 . 0 0 "[ ]" 1
487 1 36 LYS HG3 1 37 ILE H . . 5.100 4.864 4.864 4.864 . 0 0 "[ ]" 1
488 1 37 ILE H 1 37 ILE HB . . 3.500 2.435 2.435 2.435 . 0 0 "[ ]" 1
489 1 37 ILE H 1 37 ILE HG12 . . 5.300 3.606 3.606 3.606 . 0 0 "[ ]" 1
490 1 37 ILE H 1 37 ILE HG13 . . 5.000 2.218 2.218 2.218 . 0 0 "[ ]" 1
491 1 37 ILE H 1 38 ALA H . . 5.500 4.634 4.634 4.634 . 0 0 "[ ]" 1
492 1 37 ILE HA 1 37 ILE HG12 . . 3.400 2.640 2.640 2.640 . 0 0 "[ ]" 1
493 1 37 ILE HA 1 37 ILE HG13 . . 3.900 2.888 2.888 2.888 . 0 0 "[ ]" 1
494 1 37 ILE HA 1 38 ALA H . . 3.100 2.250 2.250 2.250 . 0 0 "[ ]" 1
495 1 37 ILE HB 1 38 ALA H . . 5.100 4.289 4.289 4.289 . 0 0 "[ ]" 1
496 1 37 ILE HB 1 39 ILE MD . . 6.500 3.087 3.087 3.087 . 0 0 "[ ]" 1
497 1 37 ILE HB 1 39 ILE HG12 . . 5.500 3.444 3.444 3.444 . 0 0 "[ ]" 1
498 1 37 ILE MD 1 38 ALA H . . 6.500 5.301 5.301 5.301 . 0 0 "[ ]" 1
499 1 37 ILE MD 1 39 ILE MD . . 7.500 3.669 3.669 3.669 . 0 0 "[ ]" 1
500 1 37 ILE MD 1 48 ALA MB . . 7.500 4.238 4.238 4.238 . 0 0 "[ ]" 1
501 1 37 ILE HG12 1 38 ALA H . . 4.900 4.533 4.533 4.533 . 0 0 "[ ]" 1
502 1 37 ILE HG13 1 38 ALA H . . 5.500 5.047 5.047 5.047 . 0 0 "[ ]" 1
503 1 37 ILE MG 1 38 ALA H . . 5.200 2.747 2.747 2.747 . 0 0 "[ ]" 1
504 1 37 ILE MG 1 38 ALA MB . . 6.900 3.832 3.832 3.832 . 0 0 "[ ]" 1
505 1 37 ILE MG 1 39 ILE HG12 . . 4.900 3.208 3.208 3.208 . 0 0 "[ ]" 1
506 1 37 ILE MG 1 43 SER HB3 . . 6.500 4.059 4.059 4.059 . 0 0 "[ ]" 1
507 1 38 ALA H 1 38 ALA MB . . 3.300 2.300 2.300 2.300 . 0 0 "[ ]" 1
508 1 38 ALA H 1 39 ILE H . . 4.900 4.272 4.272 4.272 . 0 0 "[ ]" 1
509 1 38 ALA HA 1 39 ILE H . . 2.800 2.053 2.053 2.053 . 0 0 "[ ]" 1
510 1 38 ALA HA 1 39 ILE HA . . 5.200 4.425 4.425 4.425 . 0 0 "[ ]" 1
511 1 38 ALA HA 1 39 ILE HB . . 4.700 4.596 4.596 4.596 . 0 0 "[ ]" 1
512 1 38 ALA HA 1 39 ILE MD . . 6.500 4.615 4.615 4.615 . 0 0 "[ ]" 1
513 1 38 ALA HA 1 39 ILE HG12 . . 4.800 3.964 3.964 3.964 . 0 0 "[ ]" 1
514 1 38 ALA HA 1 39 ILE MG . . 6.500 5.445 5.445 5.445 . 0 0 "[ ]" 1
515 1 38 ALA MB 1 39 ILE H . . 3.900 3.347 3.347 3.347 . 0 0 "[ ]" 1
516 1 39 ILE H 1 39 ILE HB . . 3.200 2.556 2.556 2.556 . 0 0 "[ ]" 1
517 1 39 ILE H 1 39 ILE MD . . 5.800 3.523 3.523 3.523 . 0 0 "[ ]" 1
518 1 39 ILE H 1 39 ILE HG12 . . 3.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
519 1 39 ILE H 1 39 ILE HG13 . . 3.800 3.837 3.837 3.837 0.037 1 0 "[ ]" 1
520 1 39 ILE H 1 40 ASP H . . 4.900 4.527 4.527 4.527 . 0 0 "[ ]" 1
521 1 39 ILE HA 1 39 ILE MD . . 3.800 2.161 2.161 2.161 . 0 0 "[ ]" 1
522 1 39 ILE HA 1 39 ILE HG12 . . 4.300 3.169 3.169 3.169 . 0 0 "[ ]" 1
523 1 39 ILE HA 1 39 ILE HG13 . . 4.500 3.758 3.758 3.758 . 0 0 "[ ]" 1
524 1 39 ILE HA 1 40 ASP H . . 3.000 2.122 2.122 2.122 . 0 0 "[ ]" 1
525 1 39 ILE HA 1 43 SER HB2 . . 5.500 2.321 2.321 2.321 . 0 0 "[ ]" 1
526 1 39 ILE HA 1 44 ALA H . . 4.800 3.947 3.947 3.947 . 0 0 "[ ]" 1
527 1 39 ILE HA 1 44 ALA MB . . 6.500 4.041 4.041 4.041 . 0 0 "[ ]" 1
528 1 39 ILE HA 1 48 ALA MB . . 6.500 4.232 4.232 4.232 . 0 0 "[ ]" 1
529 1 39 ILE HB 1 39 ILE HG12 . . 2.700 2.458 2.458 2.458 . 0 0 "[ ]" 1
530 1 39 ILE HB 1 39 ILE HG13 . . 2.800 2.400 2.400 2.400 . 0 0 "[ ]" 1
531 1 39 ILE HB 1 40 ASP H . . 4.400 4.061 4.061 4.061 . 0 0 "[ ]" 1
532 1 39 ILE HB 1 44 ALA MB . . 6.500 4.758 4.758 4.758 . 0 0 "[ ]" 1
533 1 39 ILE MD 1 40 ASP H . . 6.200 3.691 3.691 3.691 . 0 0 "[ ]" 1
534 1 39 ILE MD 1 43 SER HB2 . . 6.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
535 1 39 ILE MD 1 43 SER HB3 . . 6.500 3.273 3.273 3.273 . 0 0 "[ ]" 1
536 1 39 ILE MD 1 44 ALA H . . 6.500 4.217 4.217 4.217 . 0 0 "[ ]" 1
537 1 39 ILE MD 1 44 ALA HA . . 6.500 3.765 3.765 3.765 . 0 0 "[ ]" 1
538 1 39 ILE MD 1 44 ALA MB . . 6.900 3.574 3.574 3.574 . 0 0 "[ ]" 1
539 1 39 ILE MD 1 48 ALA H . . 6.500 5.091 5.091 5.091 . 0 0 "[ ]" 1
540 1 39 ILE MD 1 48 ALA MB . . 5.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
541 1 39 ILE HG12 1 40 ASP H . . 5.500 5.094 5.094 5.094 . 0 0 "[ ]" 1
542 1 39 ILE HG13 1 40 ASP H . . 5.500 5.264 5.264 5.264 . 0 0 "[ ]" 1
543 1 39 ILE MG 1 40 ASP H . . 5.500 2.388 2.388 2.388 . 0 0 "[ ]" 1
544 1 39 ILE MG 1 40 ASP HA . . 6.300 3.525 3.525 3.525 . 0 0 "[ ]" 1
545 1 39 ILE MG 1 43 SER HB3 . . 6.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
546 1 39 ILE MG 1 44 ALA H . . 6.500 3.184 3.184 3.184 . 0 0 "[ ]" 1
547 1 39 ILE MG 1 44 ALA HA . . 6.500 3.442 3.442 3.442 . 0 0 "[ ]" 1
548 1 39 ILE MG 1 44 ALA MB . . 6.200 2.117 2.117 2.117 . 0 0 "[ ]" 1
549 1 39 ILE MG 1 48 ALA MB . . 7.500 3.743 3.743 3.743 . 0 0 "[ ]" 1
550 1 40 ASP H 1 43 SER H . . 5.200 3.173 3.173 3.173 . 0 0 "[ ]" 1
551 1 40 ASP H 1 43 SER HB2 . . 5.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
552 1 40 ASP H 1 44 ALA H . . 4.500 2.607 2.607 2.607 . 0 0 "[ ]" 1
553 1 40 ASP H 1 44 ALA MB . . 5.300 3.132 3.132 3.132 . 0 0 "[ ]" 1
554 1 40 ASP H 1 48 ALA MB . . 6.500 4.864 4.864 4.864 . 0 0 "[ ]" 1
555 1 40 ASP HA 1 41 LYS H . . 3.100 2.314 2.314 2.314 . 0 0 "[ ]" 1
556 1 40 ASP HA 1 41 LYS QG . . 6.500 3.994 3.994 3.994 . 0 0 "[ ]" 1
557 1 40 ASP HB2 1 41 LYS H . . 3.700 3.700 3.700 3.700 0.000 1 0 "[ ]" 1
558 1 40 ASP HB2 1 42 LYS H . . 5.500 4.001 4.001 4.001 . 0 0 "[ ]" 1
559 1 40 ASP HB3 1 41 LYS H . . 3.300 3.500 3.500 3.500 0.200 1 0 "[ ]" 1
560 1 40 ASP HB3 1 42 LYS H . . 5.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
561 1 41 LYS H 1 41 LYS QG . . 4.900 1.967 1.967 1.967 . 0 0 "[ ]" 1
562 1 41 LYS H 1 42 LYS H . . 4.000 2.810 2.810 2.810 . 0 0 "[ ]" 1
563 1 41 LYS HA 1 42 LYS H . . 4.900 3.420 3.420 3.420 . 0 0 "[ ]" 1
564 1 41 LYS HA 1 44 ALA MB . . 4.900 2.921 2.921 2.921 . 0 0 "[ ]" 1
565 1 41 LYS QB 1 42 LYS H . . 5.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
566 1 41 LYS QB 1 44 ALA H . . 6.500 5.496 5.496 5.496 . 0 0 "[ ]" 1
567 1 41 LYS QG 1 42 LYS H . . 6.100 3.032 3.032 3.032 . 0 0 "[ ]" 1
568 1 42 LYS H 1 42 LYS QB . . 3.800 2.140 2.140 2.140 . 0 0 "[ ]" 1
569 1 42 LYS H 1 42 LYS QG . . 4.800 3.933 3.933 3.933 . 0 0 "[ ]" 1
570 1 42 LYS H 1 43 SER H . . 3.400 2.681 2.681 2.681 . 0 0 "[ ]" 1
571 1 42 LYS H 1 43 SER HA . . 5.000 5.123 5.123 5.123 0.123 1 0 "[ ]" 1
572 1 42 LYS H 1 44 ALA H . . 5.500 4.074 4.074 4.074 . 0 0 "[ ]" 1
573 1 42 LYS HA 1 43 SER H . . 4.600 3.649 3.649 3.649 . 0 0 "[ ]" 1
574 1 42 LYS HA 1 44 ALA H . . 5.500 5.052 5.052 5.052 . 0 0 "[ ]" 1
575 1 42 LYS HA 1 45 HIS H . . 5.500 4.315 4.315 4.315 . 0 0 "[ ]" 1
576 1 42 LYS HA 1 45 HIS HB2 . . 4.900 3.862 3.862 3.862 . 0 0 "[ ]" 1
577 1 42 LYS HA 1 45 HIS HB3 . . 5.500 5.521 5.521 5.521 0.021 1 0 "[ ]" 1
578 1 42 LYS QB 1 43 SER H . . 4.900 2.041 2.041 2.041 . 0 0 "[ ]" 1
579 1 42 LYS QG 1 43 SER H . . 6.500 3.553 3.553 3.553 . 0 0 "[ ]" 1
580 1 43 SER H 1 43 SER HB2 . . 3.700 2.855 2.855 2.855 . 0 0 "[ ]" 1
581 1 43 SER H 1 43 SER HB3 . . 4.100 3.478 3.478 3.478 . 0 0 "[ ]" 1
582 1 43 SER H 1 44 ALA H . . 2.900 2.913 2.913 2.913 0.013 1 0 "[ ]" 1
583 1 43 SER HA 1 44 ALA H . . 4.500 3.536 3.536 3.536 . 0 0 "[ ]" 1
584 1 43 SER HA 1 46 LYS H . . 4.600 3.579 3.579 3.579 . 0 0 "[ ]" 1
585 1 43 SER HA 1 47 ASP H . . 5.100 3.827 3.827 3.827 . 0 0 "[ ]" 1
586 1 43 SER HA 1 48 ALA H . . 4.000 4.016 4.016 4.016 0.016 1 0 "[ ]" 1
587 1 43 SER HB2 1 44 ALA H . . 4.700 2.397 2.397 2.397 . 0 0 "[ ]" 1
588 1 43 SER HB2 1 48 ALA H . . 5.500 5.081 5.081 5.081 . 0 0 "[ ]" 1
589 1 43 SER HB2 1 48 ALA MB . . 5.600 3.152 3.152 3.152 . 0 0 "[ ]" 1
590 1 43 SER HB3 1 44 ALA H . . 4.800 3.743 3.743 3.743 . 0 0 "[ ]" 1
591 1 43 SER HB3 1 48 ALA H . . 4.700 4.122 4.122 4.122 . 0 0 "[ ]" 1
592 1 43 SER HB3 1 48 ALA MB . . 4.800 2.742 2.742 2.742 . 0 0 "[ ]" 1
593 1 44 ALA H 1 44 ALA MB . . 3.300 2.189 2.189 2.189 . 0 0 "[ ]" 1
594 1 44 ALA H 1 45 HIS H . . 3.900 2.743 2.743 2.743 . 0 0 "[ ]" 1
595 1 44 ALA H 1 48 ALA MB . . 4.900 3.919 3.919 3.919 . 0 0 "[ ]" 1
596 1 44 ALA HA 1 45 HIS H . . 4.800 3.484 3.484 3.484 . 0 0 "[ ]" 1
597 1 44 ALA HA 1 48 ALA MB . . 3.600 2.864 2.864 2.864 . 0 0 "[ ]" 1
598 1 44 ALA HA 1 50 LYS HG3 . . 5.500 4.343 4.343 4.343 . 0 0 "[ ]" 1
599 1 44 ALA MB 1 45 HIS H . . 4.100 2.885 2.885 2.885 . 0 0 "[ ]" 1
600 1 44 ALA MB 1 45 HIS HB2 . . 6.500 4.449 4.449 4.449 . 0 0 "[ ]" 1
601 1 44 ALA MB 1 45 HIS HB3 . . 6.500 5.160 5.160 5.160 . 0 0 "[ ]" 1
602 1 44 ALA MB 1 48 ALA MB . . 7.500 3.960 3.960 3.960 . 0 0 "[ ]" 1
603 1 44 ALA MB 1 50 LYS H . . 6.500 4.827 4.827 4.827 . 0 0 "[ ]" 1
604 1 45 HIS H 1 45 HIS HB2 . . 3.700 2.458 2.458 2.458 . 0 0 "[ ]" 1
605 1 45 HIS H 1 45 HIS HB3 . . 4.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
606 1 45 HIS H 1 46 LYS H . . 3.400 2.180 2.180 2.180 . 0 0 "[ ]" 1
607 1 45 HIS H 1 48 ALA MB . . 6.500 4.944 4.944 4.944 . 0 0 "[ ]" 1
608 1 45 HIS HA 1 46 LYS H . . 4.300 3.490 3.490 3.490 . 0 0 "[ ]" 1
609 1 45 HIS HA 1 50 LYS H . . 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 1
610 1 45 HIS HA 1 50 LYS QB . . 4.600 4.151 4.151 4.151 . 0 0 "[ ]" 1
611 1 45 HIS HA 1 50 LYS HG2 . . 5.500 3.196 3.196 3.196 . 0 0 "[ ]" 1
612 1 45 HIS HB2 1 46 LYS H . . 4.600 3.176 3.176 3.176 . 0 0 "[ ]" 1
613 1 45 HIS HB3 1 46 LYS H . . 5.200 4.094 4.094 4.094 . 0 0 "[ ]" 1
614 1 46 LYS H 1 46 LYS HB2 . . 3.900 2.461 2.461 2.461 . 0 0 "[ ]" 1
615 1 46 LYS H 1 46 LYS HB3 . . 4.000 2.642 2.642 2.642 . 0 0 "[ ]" 1
616 1 46 LYS H 1 46 LYS HG2 . . 5.500 4.533 4.533 4.533 . 0 0 "[ ]" 1
617 1 46 LYS H 1 46 LYS HG3 . . 4.000 4.409 4.409 4.409 0.409 1 0 "[ ]" 1
618 1 46 LYS H 1 47 ASP H . . 4.400 2.474 2.474 2.474 . 0 0 "[ ]" 1
619 1 46 LYS H 1 48 ALA H . . 4.600 4.362 4.362 4.362 . 0 0 "[ ]" 1
620 1 46 LYS H 1 48 ALA MB . . 5.800 4.732 4.732 4.732 . 0 0 "[ ]" 1
621 1 46 LYS H 1 50 LYS H . . 5.500 5.543 5.543 5.543 0.043 1 0 "[ ]" 1
622 1 46 LYS H 1 50 LYS QB . . 5.500 4.517 4.517 4.517 . 0 0 "[ ]" 1
623 1 46 LYS HA 1 46 LYS HG2 . . 3.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
624 1 46 LYS HA 1 46 LYS HG3 . . 3.700 2.367 2.367 2.367 . 0 0 "[ ]" 1
625 1 46 LYS HA 1 47 ASP H . . 4.500 3.533 3.533 3.533 . 0 0 "[ ]" 1
626 1 46 LYS HA 1 47 ASP HA . . 4.700 4.683 4.683 4.683 . 0 0 "[ ]" 1
627 1 46 LYS HB2 1 47 ASP H . . 3.400 3.474 3.474 3.474 0.074 1 0 "[ ]" 1
628 1 46 LYS HB3 1 46 LYS HG2 . . 2.900 2.492 2.492 2.492 . 0 0 "[ ]" 1
629 1 46 LYS HB3 1 47 ASP H . . 3.000 2.198 2.198 2.198 . 0 0 "[ ]" 1
630 1 46 LYS HB3 1 48 ALA H . . 5.500 3.719 3.719 3.719 . 0 0 "[ ]" 1
631 1 46 LYS HD2 1 47 ASP H . . 5.100 5.215 5.215 5.215 0.115 1 0 "[ ]" 1
632 1 46 LYS HG2 1 47 ASP H . . 3.900 3.778 3.778 3.778 . 0 0 "[ ]" 1
633 1 47 ASP H 1 47 ASP HB2 . . 3.500 2.984 2.984 2.984 . 0 0 "[ ]" 1
634 1 47 ASP H 1 47 ASP HB3 . . 3.100 2.974 2.974 2.974 . 0 0 "[ ]" 1
635 1 47 ASP H 1 48 ALA H . . 3.100 2.283 2.283 2.283 . 0 0 "[ ]" 1
636 1 47 ASP H 1 48 ALA MB . . 6.300 3.733 3.733 3.733 . 0 0 "[ ]" 1
637 1 47 ASP HA 1 48 ALA H . . 4.700 3.595 3.595 3.595 . 0 0 "[ ]" 1
638 1 47 ASP HA 1 51 THR HB . . 3.800 3.731 3.731 3.731 . 0 0 "[ ]" 1
639 1 47 ASP HA 1 51 THR MG . . 6.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
640 1 47 ASP HB2 1 48 ALA H . . 5.100 3.550 3.550 3.550 . 0 0 "[ ]" 1
641 1 47 ASP HB3 1 48 ALA H . . 4.300 2.282 2.282 2.282 . 0 0 "[ ]" 1
642 1 48 ALA H 1 48 ALA MB . . 3.300 2.230 2.230 2.230 . 0 0 "[ ]" 1
643 1 48 ALA HA 1 52 CYS H . . 5.500 5.161 5.161 5.161 . 0 0 "[ ]" 1
644 1 48 ALA MB 1 50 LYS H . . 6.300 4.289 4.289 4.289 . 0 0 "[ ]" 1
645 1 49 CYS QB 1 51 THR H . . 4.700 4.991 4.991 4.991 0.291 1 0 "[ ]" 1
646 1 50 LYS H 1 50 LYS QB . . 3.300 2.324 2.324 2.324 . 0 0 "[ ]" 1
647 1 50 LYS H 1 50 LYS HE2 . . 5.500 4.838 4.838 4.838 . 0 0 "[ ]" 1
648 1 50 LYS H 1 50 LYS HE3 . . 5.500 4.699 4.699 4.699 . 0 0 "[ ]" 1
649 1 50 LYS H 1 50 LYS HG2 . . 3.900 2.475 2.475 2.475 . 0 0 "[ ]" 1
650 1 50 LYS H 1 50 LYS HG3 . . 2.900 2.914 2.914 2.914 0.014 1 0 "[ ]" 1
651 1 50 LYS H 1 51 THR H . . 4.000 3.246 3.246 3.246 . 0 0 "[ ]" 1
652 1 50 LYS HA 1 51 THR H . . 4.200 3.640 3.640 3.640 . 0 0 "[ ]" 1
653 1 50 LYS QB 1 50 LYS HE2 . . 3.300 2.326 2.326 2.326 . 0 0 "[ ]" 1
654 1 50 LYS QB 1 50 LYS HE3 . . 3.400 3.376 3.376 3.376 . 0 0 "[ ]" 1
655 1 50 LYS QB 1 51 THR H . . 3.700 2.312 2.312 2.312 . 0 0 "[ ]" 1
656 1 51 THR H 1 51 THR HB . . 3.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
657 1 51 THR H 1 52 CYS H . . 3.900 2.893 2.893 2.893 . 0 0 "[ ]" 1
658 1 51 THR HA 1 52 CYS H . . 4.700 3.566 3.566 3.566 . 0 0 "[ ]" 1
659 1 51 THR HA 1 54 LYS H . . 5.100 3.452 3.452 3.452 . 0 0 "[ ]" 1
660 1 51 THR HA 1 54 LYS QD . . 5.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
661 1 51 THR HA 1 54 LYS QG . . 5.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
662 1 51 THR HB 1 52 CYS H . . 3.800 2.868 2.868 2.868 . 0 0 "[ ]" 1
663 1 51 THR MG 1 52 CYS H . . 6.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
664 1 51 THR MG 1 54 LYS QD . . 5.500 3.812 3.812 3.812 . 0 0 "[ ]" 1
665 1 52 CYS H 1 52 CYS HB2 . . 3.300 2.548 2.548 2.548 . 0 0 "[ ]" 1
666 1 52 CYS H 1 52 CYS HB3 . . 4.100 2.526 2.526 2.526 . 0 0 "[ ]" 1
667 1 54 LYS H 1 54 LYS HB2 . . 3.200 2.473 2.473 2.473 . 0 0 "[ ]" 1
668 1 54 LYS H 1 54 LYS HB3 . . 3.600 3.563 3.563 3.563 . 0 0 "[ ]" 1
669 1 54 LYS H 1 54 LYS QD . . 5.500 4.015 4.015 4.015 . 0 0 "[ ]" 1
670 1 54 LYS H 1 54 LYS QG . . 3.900 2.337 2.337 2.337 . 0 0 "[ ]" 1
671 1 54 LYS H 1 55 SER H . . 4.100 2.818 2.818 2.818 . 0 0 "[ ]" 1
672 1 54 LYS H 1 55 SER HB3 . . 4.900 5.130 5.130 5.130 0.230 1 0 "[ ]" 1
673 1 54 LYS H 1 56 ASN H . . 4.800 4.225 4.225 4.225 . 0 0 "[ ]" 1
674 1 54 LYS HA 1 54 LYS QD . . 2.800 3.481 3.481 3.481 0.681 1 1 [+] 1
675 1 54 LYS HA 1 54 LYS QG . . 3.100 2.205 2.205 2.205 . 0 0 "[ ]" 1
676 1 54 LYS HB2 1 54 LYS QD . . 2.600 2.291 2.291 2.291 . 0 0 "[ ]" 1
677 1 54 LYS HB2 1 54 LYS QG . . 2.400 2.326 2.326 2.326 . 0 0 "[ ]" 1
678 1 54 LYS HB2 1 55 SER H . . 4.000 2.516 2.516 2.516 . 0 0 "[ ]" 1
679 1 54 LYS HB2 1 56 ASN H . . 5.000 4.865 4.865 4.865 . 0 0 "[ ]" 1
680 1 54 LYS HB3 1 54 LYS QG . . 2.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
681 1 54 LYS HB3 1 55 SER H . . 5.500 3.470 3.470 3.470 . 0 0 "[ ]" 1
682 1 54 LYS QG 1 55 SER H . . 5.500 4.114 4.114 4.114 . 0 0 "[ ]" 1
683 1 55 SER H 1 55 SER HB3 . . 3.700 2.583 2.583 2.583 . 0 0 "[ ]" 1
684 1 55 SER H 1 56 ASN QB . . 6.200 4.960 4.960 4.960 . 0 0 "[ ]" 1
685 1 55 SER H 1 56 ASN QD . . 5.500 4.919 4.919 4.919 . 0 0 "[ ]" 1
686 1 55 SER HB2 1 56 ASN H . . 5.400 4.375 4.375 4.375 . 0 0 "[ ]" 1
687 1 55 SER HB3 1 56 ASN H . . 4.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
688 1 55 SER HB3 1 56 ASN QD . . 5.500 3.329 3.329 3.329 . 0 0 "[ ]" 1
689 1 56 ASN H 1 56 ASN QD . . 5.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
690 1 56 ASN H 1 57 ASN H . . 4.200 4.267 4.267 4.267 0.067 1 0 "[ ]" 1
691 1 56 ASN H 1 58 GLY H . . 5.500 3.374 3.374 3.374 . 0 0 "[ ]" 1
692 1 56 ASN HA 1 57 ASN H . . 5.500 2.681 2.681 2.681 . 0 0 "[ ]" 1
693 1 56 ASN QB 1 57 ASN H . . 4.400 1.989 1.989 1.989 . 0 0 "[ ]" 1
694 1 56 ASN QB 1 58 GLY H . . 6.500 3.311 3.311 3.311 . 0 0 "[ ]" 1
695 1 56 ASN QD 1 57 ASN H . . 5.500 4.267 4.267 4.267 . 0 0 "[ ]" 1
696 1 56 ASN QD 1 57 ASN QD . . 4.700 5.115 5.115 5.115 0.415 1 0 "[ ]" 1
697 1 57 ASN H 1 57 ASN HB2 . . 4.200 2.544 2.544 2.544 . 0 0 "[ ]" 1
698 1 57 ASN H 1 57 ASN HB3 . . 3.800 3.654 3.654 3.654 . 0 0 "[ ]" 1
699 1 57 ASN H 1 57 ASN QD . . 5.500 2.422 2.422 2.422 . 0 0 "[ ]" 1
700 1 57 ASN H 1 58 GLY H . . 4.200 3.500 3.500 3.500 . 0 0 "[ ]" 1
701 1 57 ASN HA 1 58 GLY H . . 4.600 2.677 2.677 2.677 . 0 0 "[ ]" 1
702 1 57 ASN HB2 1 58 GLY H . . 5.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
703 1 57 ASN HB3 1 57 ASN QD . . 3.300 3.310 3.310 3.310 0.010 1 0 "[ ]" 1
704 1 57 ASN HB3 1 58 GLY H . . 5.500 4.503 4.503 4.503 . 0 0 "[ ]" 1
705 1 59 PRO HA 1 60 THR H . . 5.500 2.446 2.446 2.446 . 0 0 "[ ]" 1
706 1 59 PRO HA 1 61 LYS H . . 5.500 4.413 4.413 4.413 . 0 0 "[ ]" 1
707 1 59 PRO HB2 1 60 THR H . . 4.700 4.418 4.418 4.418 . 0 0 "[ ]" 1
708 1 59 PRO HB2 1 64 GLY H . . 3.900 4.375 4.375 4.375 0.475 1 0 "[ ]" 1
709 1 59 PRO HB2 1 64 GLY HA2 . . 4.200 2.655 2.655 2.655 . 0 0 "[ ]" 1
710 1 59 PRO HB2 1 64 GLY HA3 . . 3.500 2.155 2.155 2.155 . 0 0 "[ ]" 1
711 1 59 PRO HB2 1 65 CYS H . . 5.500 4.598 4.598 4.598 . 0 0 "[ ]" 1
712 1 59 PRO HB3 1 64 GLY HA2 . . 4.600 3.854 3.854 3.854 . 0 0 "[ ]" 1
713 1 60 THR H 1 61 LYS H . . 4.100 3.796 3.796 3.796 . 0 0 "[ ]" 1
714 1 60 THR HA 1 61 LYS H . . 4.200 2.517 2.517 2.517 . 0 0 "[ ]" 1
715 1 60 THR HB 1 61 LYS H . . 5.500 4.485 4.485 4.485 . 0 0 "[ ]" 1
716 1 61 LYS H 1 61 LYS HB2 . . 3.300 3.193 3.193 3.193 . 0 0 "[ ]" 1
717 1 61 LYS H 1 61 LYS HB3 . . 4.100 2.987 2.987 2.987 . 0 0 "[ ]" 1
718 1 61 LYS H 1 62 CYS H . . 5.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
719 1 61 LYS H 1 64 GLY H . . 5.000 3.772 3.772 3.772 . 0 0 "[ ]" 1
720 1 61 LYS HA 1 62 CYS H . . 3.300 2.326 2.326 2.326 . 0 0 "[ ]" 1
721 1 61 LYS HA 1 62 CYS HB2 . . 5.200 5.059 5.059 5.059 . 0 0 "[ ]" 1
722 1 61 LYS HB2 1 62 CYS H . . 4.300 4.276 4.276 4.276 . 0 0 "[ ]" 1
723 1 61 LYS HB2 1 63 GLY H . . 5.500 5.356 5.356 5.356 . 0 0 "[ ]" 1
724 1 61 LYS HB3 1 62 CYS H . . 3.900 3.878 3.878 3.878 . 0 0 "[ ]" 1
725 1 61 LYS HB3 1 63 GLY H . . 5.500 4.108 4.108 4.108 . 0 0 "[ ]" 1
726 1 61 LYS HB3 1 64 GLY H . . 5.500 2.615 2.615 2.615 . 0 0 "[ ]" 1
727 1 61 LYS QG 1 62 CYS H . . 6.400 2.580 2.580 2.580 . 0 0 "[ ]" 1
728 1 62 CYS H 1 62 CYS HB2 . . 3.900 2.763 2.763 2.763 . 0 0 "[ ]" 1
729 1 62 CYS H 1 62 CYS HB3 . . 4.400 3.596 3.596 3.596 . 0 0 "[ ]" 1
730 1 62 CYS H 1 63 GLY H . . 5.400 3.005 3.005 3.005 . 0 0 "[ ]" 1
731 1 62 CYS H 1 64 GLY H . . 5.300 3.838 3.838 3.838 . 0 0 "[ ]" 1
732 1 62 CYS HA 1 62 CYS HB3 . . 2.600 2.377 2.377 2.377 . 0 0 "[ ]" 1
733 1 62 CYS HA 1 63 GLY H . . 3.900 3.556 3.556 3.556 . 0 0 "[ ]" 1
734 1 62 CYS HA 1 63 GLY HA2 . . 5.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
735 1 62 CYS HA 1 63 GLY HA3 . . 5.100 5.383 5.383 5.383 0.283 1 0 "[ ]" 1
736 1 62 CYS HB2 1 63 GLY H . . 5.500 2.180 2.180 2.180 . 0 0 "[ ]" 1
737 1 62 CYS HB2 1 64 GLY H . . 5.500 4.531 4.531 4.531 . 0 0 "[ ]" 1
738 1 62 CYS HB2 1 65 CYS H . . 5.500 5.513 5.513 5.513 0.013 1 0 "[ ]" 1
739 1 62 CYS HB3 1 63 GLY H . . 5.000 3.466 3.466 3.466 . 0 0 "[ ]" 1
740 1 62 CYS HB3 1 63 GLY HA3 . . 5.500 5.302 5.302 5.302 . 0 0 "[ ]" 1
741 1 63 GLY H 1 64 GLY H . . 4.300 2.841 2.841 2.841 . 0 0 "[ ]" 1
742 1 63 GLY HA2 1 64 GLY H . . 4.800 3.441 3.441 3.441 . 0 0 "[ ]" 1
743 1 63 GLY HA2 1 65 CYS H . . 5.500 3.745 3.745 3.745 . 0 0 "[ ]" 1
744 1 63 GLY HA3 1 64 GLY H . . 4.200 3.248 3.248 3.248 . 0 0 "[ ]" 1
745 1 63 GLY HA3 1 65 CYS H . . 5.500 4.578 4.578 4.578 . 0 0 "[ ]" 1
746 1 64 GLY H 1 64 GLY HA3 . . 3.100 2.223 2.223 2.223 . 0 0 "[ ]" 1
747 1 64 GLY H 1 65 CYS H . . 3.200 2.418 2.418 2.418 . 0 0 "[ ]" 1
748 1 64 GLY HA3 1 65 CYS H . . 4.300 2.990 2.990 2.990 . 0 0 "[ ]" 1
749 1 67 ILE H 1 67 ILE HB . . 3.300 2.599 2.599 2.599 . 0 0 "[ ]" 1
750 1 67 ILE H 1 67 ILE HG12 . . 4.000 2.092 2.092 2.092 . 0 0 "[ ]" 1
751 1 67 ILE H 1 67 ILE HG13 . . 3.500 3.611 3.611 3.611 0.111 1 0 "[ ]" 1
752 1 67 ILE H 1 68 LYS H . . 4.900 4.654 4.654 4.654 . 0 0 "[ ]" 1
753 1 67 ILE HA 1 67 ILE MD . . 4.600 2.208 2.208 2.208 . 0 0 "[ ]" 1
754 1 67 ILE HA 1 67 ILE HG12 . . 3.900 3.255 3.255 3.255 . 0 0 "[ ]" 1
755 1 67 ILE HA 1 67 ILE HG13 . . 4.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
756 1 67 ILE HA 1 68 LYS H . . 2.900 2.217 2.217 2.217 . 0 0 "[ ]" 1
757 1 67 ILE HB 1 68 LYS H . . 4.900 4.251 4.251 4.251 . 0 0 "[ ]" 1
758 1 67 ILE HB 1 68 LYS HA . . 5.000 4.772 4.772 4.772 . 0 0 "[ ]" 1
759 1 67 ILE MD 1 68 LYS H . . 6.500 3.914 3.914 3.914 . 0 0 "[ ]" 1
760 1 67 ILE QG 1 68 LYS H . . 5.700 4.819 4.819 4.819 . 0 0 "[ ]" 1
761 1 68 LYS H 1 68 LYS HB2 . . 4.100 3.984 3.984 3.984 . 0 0 "[ ]" 1
762 1 68 LYS H 1 68 LYS HB3 . . 3.600 3.482 3.482 3.482 . 0 0 "[ ]" 1
763 1 68 LYS H 1 68 LYS HG3 . . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1
764 1 68 LYS HA 1 68 LYS HG3 . . 3.200 3.561 3.561 3.561 0.361 1 0 "[ ]" 1
765 1 68 LYS HB2 1 68 LYS HG3 . . 2.500 2.925 2.925 2.925 0.425 1 0 "[ ]" 1
766 1 68 LYS HB3 1 68 LYS HG3 . . 3.000 2.844 2.844 2.844 . 0 0 "[ ]" 1
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