NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
452262 |
2sxl   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_2sxl
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 929
_Distance_constraint_stats_list.Viol_count 76
_Distance_constraint_stats_list.Viol_total 3.812
_Distance_constraint_stats_list.Viol_max 0.218
_Distance_constraint_stats_list.Viol_rms 0.0172
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0502
_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 SER 0.000 0.000 . 0 "[ ]"
1 3 ASN 0.106 0.064 1 0 "[ ]"
1 4 THR 0.097 0.064 1 0 "[ ]"
1 5 ASN 0.000 0.000 . 0 "[ ]"
1 6 LEU 0.141 0.075 1 0 "[ ]"
1 7 ILE 0.164 0.075 1 0 "[ ]"
1 8 VAL 0.233 0.102 1 0 "[ ]"
1 9 ASN 0.189 0.110 1 0 "[ ]"
1 10 TYR 0.008 0.008 1 0 "[ ]"
1 11 LEU 0.044 0.036 1 0 "[ ]"
1 12 PRO 0.000 0.000 . 0 "[ ]"
1 13 GLN 0.000 0.000 . 0 "[ ]"
1 14 ASP 0.036 0.036 1 0 "[ ]"
1 15 MET 0.114 0.079 1 0 "[ ]"
1 16 THR 0.144 0.109 1 0 "[ ]"
1 17 ASP 0.000 0.000 . 0 "[ ]"
1 18 ARG 0.112 0.112 1 0 "[ ]"
1 19 GLU 0.072 0.072 1 0 "[ ]"
1 20 LEU 0.278 0.109 1 0 "[ ]"
1 21 TYR 0.111 0.051 1 0 "[ ]"
1 22 ALA 0.163 0.112 1 0 "[ ]"
1 23 LEU 0.023 0.023 1 0 "[ ]"
1 24 PHE 0.348 0.110 1 0 "[ ]"
1 25 ARG 0.067 0.063 1 0 "[ ]"
1 26 ALA 0.118 0.110 1 0 "[ ]"
1 27 ILE 0.347 0.218 1 0 "[ ]"
1 28 GLY 0.102 0.066 1 0 "[ ]"
1 29 PRO 0.030 0.030 1 0 "[ ]"
1 30 ILE 0.175 0.071 1 0 "[ ]"
1 31 ASN 0.184 0.126 1 0 "[ ]"
1 32 THR 0.075 0.050 1 0 "[ ]"
1 33 CYS 0.076 0.055 1 0 "[ ]"
1 34 ARG 0.000 0.000 . 0 "[ ]"
1 35 ILE 0.121 0.063 1 0 "[ ]"
1 36 MET 0.088 0.088 1 0 "[ ]"
1 37 ARG 0.029 0.029 1 0 "[ ]"
1 38 ASP 0.000 0.000 . 0 "[ ]"
1 39 TYR 0.000 0.000 . 0 "[ ]"
1 40 LYS 0.000 0.000 . 0 "[ ]"
1 41 THR 0.000 0.000 . 0 "[ ]"
1 42 GLY 0.000 0.000 . 0 "[ ]"
1 43 TYR 0.000 0.000 . 0 "[ ]"
1 44 SER 0.000 0.000 . 0 "[ ]"
1 45 TYR 0.029 0.029 1 0 "[ ]"
1 46 GLY 0.000 0.000 . 0 "[ ]"
1 47 TYR 0.153 0.088 1 0 "[ ]"
1 48 ALA 0.080 0.058 1 0 "[ ]"
1 49 PHE 0.000 0.000 . 0 "[ ]"
1 50 VAL 0.071 0.065 1 0 "[ ]"
1 51 ASP 0.165 0.061 1 0 "[ ]"
1 52 PHE 0.224 0.075 1 0 "[ ]"
1 53 THR 0.061 0.061 1 0 "[ ]"
1 54 SER 0.036 0.036 1 0 "[ ]"
1 55 GLU 0.081 0.045 1 0 "[ ]"
1 56 MET 0.107 0.094 1 0 "[ ]"
1 57 ASP 0.097 0.052 1 0 "[ ]"
1 58 SER 0.052 0.052 1 0 "[ ]"
1 59 GLN 0.084 0.036 1 0 "[ ]"
1 60 ARG 0.222 0.094 1 0 "[ ]"
1 61 ALA 0.274 0.218 1 0 "[ ]"
1 62 ILE 0.102 0.075 1 0 "[ ]"
1 63 LYS 0.052 0.027 1 0 "[ ]"
1 64 VAL 0.140 0.082 1 0 "[ ]"
1 65 LEU 0.201 0.075 1 0 "[ ]"
1 66 ASN 0.077 0.044 1 0 "[ ]"
1 67 GLY 0.052 0.052 1 0 "[ ]"
1 68 ILE 0.129 0.067 1 0 "[ ]"
1 69 THR 0.000 0.000 . 0 "[ ]"
1 70 VAL 0.186 0.102 1 0 "[ ]"
1 71 ARG 0.000 0.000 . 0 "[ ]"
1 72 ASN 0.018 0.018 1 0 "[ ]"
1 73 LYS 0.137 0.102 1 0 "[ ]"
1 74 ARG 0.000 0.000 . 0 "[ ]"
1 75 LEU 0.121 0.066 1 0 "[ ]"
1 76 LYS 0.278 0.110 1 0 "[ ]"
1 77 VAL 0.000 0.000 . 0 "[ ]"
1 78 SER 0.087 0.075 1 0 "[ ]"
1 79 TYR 0.054 0.037 1 0 "[ ]"
1 80 ALA 0.038 0.037 1 0 "[ ]"
1 81 ARG 0.001 0.001 1 0 "[ ]"
1 82 PRO 0.000 0.000 . 0 "[ ]"
1 83 GLY 0.000 0.000 . 0 "[ ]"
1 84 GLY 0.000 0.000 . 0 "[ ]"
1 85 GLU 0.000 0.000 . 0 "[ ]"
1 86 SER 0.000 0.000 . 0 "[ ]"
1 87 ILE 0.000 0.000 . 0 "[ ]"
1 88 LYS 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 ALA HA 1 2 SER H 2.600 . 3.500 2.819 2.819 2.819 . 0 0 "[ ]" 1
2 1 1 ALA MB 1 2 SER H 2.600 . 3.500 2.031 2.031 2.031 . 0 0 "[ ]" 1
3 1 1 ALA MB 1 3 ASN HD21 3.900 . 6.000 4.693 4.693 4.693 . 0 0 "[ ]" 1
4 1 2 SER HA 1 3 ASN H 2.100 . 2.500 2.229 2.229 2.229 . 0 0 "[ ]" 1
5 1 2 SER HA 1 55 GLU QB 3.100 . 4.500 3.862 3.862 3.862 . 0 0 "[ ]" 1
6 1 3 ASN H 1 3 ASN HB2 2.600 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
7 1 3 ASN H 1 4 THR H 2.600 . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 1
8 1 3 ASN H 1 55 GLU QB 3.900 . 6.000 2.775 2.775 2.775 . 0 0 "[ ]" 1
9 1 3 ASN HA 1 4 THR H 2.200 . 3.500 2.150 2.150 2.150 . 0 0 "[ ]" 1
10 1 3 ASN HB3 1 4 THR H 2.200 . 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1
11 1 3 ASN HB3 1 53 THR H 3.400 . 5.000 4.873 4.873 4.873 . 0 0 "[ ]" 1
12 1 4 THR H 1 4 THR HA 2.600 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
13 1 4 THR H 1 5 ASN H 2.500 . 3.500 3.310 3.310 3.310 . 0 0 "[ ]" 1
14 1 4 THR HA 1 4 THR MG 2.900 . 4.000 3.184 3.184 3.184 . 0 0 "[ ]" 1
15 1 4 THR HA 1 5 ASN H 2.500 . 3.500 2.511 2.511 2.511 . 0 0 "[ ]" 1
16 1 4 THR MG 1 52 PHE HB2 3.900 . 6.000 3.013 3.013 3.013 . 0 0 "[ ]" 1
17 1 4 THR MG 1 55 GLU H 3.100 . 4.500 2.050 2.050 2.050 . 0 0 "[ ]" 1
18 1 4 THR MG 1 55 GLU QB 3.600 . 6.500 2.729 2.729 2.729 . 0 0 "[ ]" 1
19 1 4 THR MG 1 59 GLN H 3.900 . 6.000 3.927 3.927 3.927 . 0 0 "[ ]" 1
20 1 5 ASN H 1 5 ASN HA 2.600 . 3.500 2.737 2.737 2.737 . 0 0 "[ ]" 1
21 1 5 ASN H 1 5 ASN QB 2.500 . 3.100 2.259 2.259 2.259 . 0 0 "[ ]" 1
22 1 5 ASN HA 1 6 LEU H 2.100 . 2.500 2.214 2.214 2.214 . 0 0 "[ ]" 1
23 1 5 ASN HA 1 51 ASP HA 2.600 . 3.500 2.084 2.084 2.084 . 0 0 "[ ]" 1
24 1 5 ASN HA 1 52 PHE H 3.400 . 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
25 1 5 ASN QB 1 5 ASN HD21 3.100 . 4.500 2.205 2.205 2.205 . 0 0 "[ ]" 1
26 1 5 ASN QB 1 5 ASN HD22 3.100 . 4.500 3.275 3.275 3.275 . 0 0 "[ ]" 1
27 1 5 ASN QB 1 6 LEU H 3.100 . 4.500 3.666 3.666 3.666 . 0 0 "[ ]" 1
28 1 5 ASN QB 1 52 PHE H 3.900 . 6.000 5.383 5.383 5.383 . 0 0 "[ ]" 1
29 1 5 ASN HD21 1 49 PHE HB3 3.400 . 5.000 3.058 3.058 3.058 . 0 0 "[ ]" 1
30 1 6 LEU H 1 50 VAL H 2.600 . 3.500 3.057 3.057 3.057 . 0 0 "[ ]" 1
31 1 6 LEU H 1 50 VAL HB 2.600 . 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
32 1 6 LEU H 1 50 VAL O 2.000 . 2.200 2.205 2.205 2.205 0.005 1 0 "[ ]" 1
33 1 6 LEU H 1 51 ASP HA 2.600 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
34 1 6 LEU HA 1 7 ILE H 2.100 . 2.500 2.561 2.561 2.561 0.061 1 0 "[ ]" 1
35 1 6 LEU HA 1 79 TYR HB3 3.400 . 5.000 4.882 4.882 4.882 . 0 0 "[ ]" 1
36 1 6 LEU HA 1 80 ALA MB 3.100 . 4.500 2.761 2.761 2.761 . 0 0 "[ ]" 1
37 1 6 LEU HB2 1 7 ILE H 2.600 . 4.500 3.088 3.088 3.088 . 0 0 "[ ]" 1
38 1 6 LEU HB2 1 7 ILE HA 2.600 . 4.500 4.367 4.367 4.367 . 0 0 "[ ]" 1
39 1 6 LEU HB2 1 50 VAL H 2.600 . 3.500 3.312 3.312 3.312 . 0 0 "[ ]" 1
40 1 6 LEU HB2 1 50 VAL HB 2.600 . 3.500 3.228 3.228 3.228 . 0 0 "[ ]" 1
41 1 6 LEU HB3 1 7 ILE H 2.600 . 3.500 2.265 2.265 2.265 . 0 0 "[ ]" 1
42 1 6 LEU HB3 1 62 ILE MD 3.900 . 6.000 3.243 3.243 3.243 . 0 0 "[ ]" 1
43 1 6 LEU HB3 1 78 SER H 3.400 . 5.000 3.255 3.255 3.255 . 0 0 "[ ]" 1
44 1 6 LEU QD 1 62 ILE QG 2.200 . 5.500 1.725 1.725 1.725 0.075 1 0 "[ ]" 1
45 1 6 LEU QD 1 79 TYR QB 2.100 . 5.500 3.000 3.000 3.000 . 0 0 "[ ]" 1
46 1 6 LEU MD1 1 50 VAL MG1 4.400 . 6.900 3.553 3.553 3.553 . 0 0 "[ ]" 1
47 1 6 LEU MD1 1 80 ALA H 3.900 . 7.500 5.004 5.004 5.004 . 0 0 "[ ]" 1
48 1 6 LEU MD2 1 7 ILE H 3.900 . 6.000 3.734 3.734 3.734 . 0 0 "[ ]" 1
49 1 6 LEU MD2 1 78 SER H 4.600 . 7.400 4.588 4.588 4.588 . 0 0 "[ ]" 1
50 1 6 LEU HG 1 52 PHE HB2 3.400 . 5.500 4.115 4.115 4.115 . 0 0 "[ ]" 1
51 1 6 LEU N 1 50 VAL O 2.500 . 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 1
52 1 6 LEU O 1 50 VAL H 2.000 . 2.200 2.083 2.083 2.083 . 0 0 "[ ]" 1
53 1 6 LEU O 1 50 VAL N 2.500 . 3.300 2.992 2.992 2.992 . 0 0 "[ ]" 1
54 1 7 ILE H 1 7 ILE HB 3.400 . 5.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
55 1 7 ILE H 1 78 SER H 2.600 . 3.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
56 1 7 ILE H 1 78 SER O 2.000 . 2.200 2.212 2.212 2.212 0.012 1 0 "[ ]" 1
57 1 7 ILE H 1 79 TYR H 2.600 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
58 1 7 ILE H 1 80 ALA H 2.200 . 3.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
59 1 7 ILE HA 1 7 ILE HB 2.600 . 3.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
60 1 7 ILE HA 1 8 VAL H 2.100 . 2.500 2.185 2.185 2.185 . 0 0 "[ ]" 1
61 1 7 ILE HA 1 8 VAL HB 3.400 . 5.000 4.930 4.930 4.930 . 0 0 "[ ]" 1
62 1 7 ILE HA 1 47 TYR QD 3.600 . 5.500 4.663 4.663 4.663 . 0 0 "[ ]" 1
63 1 7 ILE HA 1 49 PHE HA 2.600 . 3.500 2.357 2.357 2.357 . 0 0 "[ ]" 1
64 1 7 ILE HA 1 49 PHE HB3 3.400 . 5.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
65 1 7 ILE HA 1 49 PHE QD 4.400 . 7.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
66 1 7 ILE HA 1 49 PHE QE 4.400 . 7.000 4.194 4.194 4.194 . 0 0 "[ ]" 1
67 1 7 ILE HA 1 50 VAL H 2.600 . 3.500 3.091 3.091 3.091 . 0 0 "[ ]" 1
68 1 7 ILE HA 1 80 ALA HA 3.400 . 5.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
69 1 7 ILE HB 1 8 VAL H 2.600 . 3.500 3.413 3.413 3.413 . 0 0 "[ ]" 1
70 1 7 ILE HB 1 49 PHE QD 3.600 . 5.500 4.402 4.402 4.402 . 0 0 "[ ]" 1
71 1 7 ILE HB 1 49 PHE QE 3.600 . 5.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
72 1 7 ILE HB 1 80 ALA HA 2.600 . 4.500 4.300 4.300 4.300 . 0 0 "[ ]" 1
73 1 7 ILE MD 1 9 ASN HD21 3.100 . 5.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
74 1 7 ILE MD 1 47 TYR QD 4.200 . 6.500 3.157 3.157 3.157 . 0 0 "[ ]" 1
75 1 7 ILE MD 1 47 TYR QE 4.200 . 6.500 2.050 2.050 2.050 . 0 0 "[ ]" 1
76 1 7 ILE MD 1 49 PHE QE 3.600 . 6.500 3.765 3.765 3.765 . 0 0 "[ ]" 1
77 1 7 ILE MD 1 80 ALA HA 3.100 . 4.500 2.544 2.544 2.544 . 0 0 "[ ]" 1
78 1 7 ILE MD 1 80 ALA MB 4.400 . 7.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
79 1 7 ILE MD 1 82 PRO QD 2.200 . 5.500 2.051 2.051 2.051 . 0 0 "[ ]" 1
80 1 7 ILE MD 1 82 PRO QG 2.200 . 5.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
81 1 7 ILE QG 1 47 TYR QD 4.200 . 6.500 3.931 3.931 3.931 . 0 0 "[ ]" 1
82 1 7 ILE QG 1 78 SER H 3.100 . 4.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
83 1 7 ILE QG 1 78 SER QB 3.600 . 5.500 2.130 2.130 2.130 . 0 0 "[ ]" 1
84 1 7 ILE MG 1 49 PHE QD 4.900 . 8.000 2.118 2.118 2.118 . 0 0 "[ ]" 1
85 1 7 ILE MG 1 49 PHE QE 4.200 . 6.500 1.840 1.840 1.840 . 0 0 "[ ]" 1
86 1 7 ILE MG 1 80 ALA HA 3.100 . 4.500 1.833 1.833 1.833 . 0 0 "[ ]" 1
87 1 7 ILE MG 1 81 ARG H 3.900 . 6.000 3.299 3.299 3.299 . 0 0 "[ ]" 1
88 1 7 ILE MG 1 82 PRO QB 4.400 . 7.000 3.931 3.931 3.931 . 0 0 "[ ]" 1
89 1 7 ILE N 1 78 SER O 2.500 . 3.300 3.099 3.099 3.099 . 0 0 "[ ]" 1
90 1 7 ILE O 1 78 SER H 2.000 . 2.200 2.275 2.275 2.275 0.075 1 0 "[ ]" 1
91 1 7 ILE O 1 78 SER N 2.500 . 3.300 3.167 3.167 3.167 . 0 0 "[ ]" 1
92 1 8 VAL H 1 8 VAL HA 2.600 . 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 1
93 1 8 VAL H 1 8 VAL HB 2.600 . 3.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
94 1 8 VAL H 1 8 VAL MG2 2.600 . 3.500 2.029 2.029 2.029 . 0 0 "[ ]" 1
95 1 8 VAL H 1 48 ALA O 2.000 . 2.200 2.222 2.222 2.222 0.022 1 0 "[ ]" 1
96 1 8 VAL H 1 49 PHE HA 3.400 . 5.000 3.447 3.447 3.447 . 0 0 "[ ]" 1
97 1 8 VAL H 1 50 VAL MG2 3.900 . 6.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
98 1 8 VAL HA 1 8 VAL MG1 2.900 . 4.000 2.133 2.133 2.133 . 0 0 "[ ]" 1
99 1 8 VAL HA 1 8 VAL MG2 2.900 . 4.000 2.548 2.548 2.548 . 0 0 "[ ]" 1
100 1 8 VAL HA 1 9 ASN H 2.100 . 2.500 2.200 2.200 2.200 . 0 0 "[ ]" 1
101 1 8 VAL HA 1 66 ASN HA 3.400 . 6.000 6.044 6.044 6.044 0.044 1 0 "[ ]" 1
102 1 8 VAL HA 1 76 LYS HB2 3.400 . 5.000 5.102 5.102 5.102 0.102 1 0 "[ ]" 1
103 1 8 VAL HA 1 77 VAL QG 4.600 . 7.400 3.644 3.644 3.644 . 0 0 "[ ]" 1
104 1 8 VAL HA 1 78 SER H 3.400 . 5.000 4.054 4.054 4.054 . 0 0 "[ ]" 1
105 1 8 VAL MG1 1 9 ASN H 3.100 . 4.500 2.664 2.664 2.664 . 0 0 "[ ]" 1
106 1 8 VAL MG1 1 11 LEU MD2 3.100 . 4.500 2.367 2.367 2.367 . 0 0 "[ ]" 1
107 1 8 VAL MG1 1 50 VAL MG1 3.600 . 7.000 4.602 4.602 4.602 . 0 0 "[ ]" 1
108 1 8 VAL MG2 1 24 PHE QE 3.600 . 5.500 2.508 2.508 2.508 . 0 0 "[ ]" 1
109 1 8 VAL MG2 1 50 VAL MG1 4.400 . 7.000 3.137 3.137 3.137 . 0 0 "[ ]" 1
110 1 8 VAL MG2 1 50 VAL MG2 3.100 . 4.500 1.735 1.735 1.735 0.065 1 0 "[ ]" 1
111 1 8 VAL MG2 1 77 VAL HA 3.900 . 6.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
112 1 8 VAL N 1 48 ALA O 2.500 . 3.300 3.025 3.025 3.025 . 0 0 "[ ]" 1
113 1 8 VAL O 1 48 ALA H 2.000 . 2.200 2.034 2.034 2.034 . 0 0 "[ ]" 1
114 1 8 VAL O 1 48 ALA N 2.500 . 3.300 2.831 2.831 2.831 . 0 0 "[ ]" 1
115 1 9 ASN H 1 9 ASN HB2 2.600 . 3.500 2.825 2.825 2.825 . 0 0 "[ ]" 1
116 1 9 ASN H 1 10 TYR H 3.400 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
117 1 9 ASN H 1 75 LEU HA 3.400 . 5.000 4.492 4.492 4.492 . 0 0 "[ ]" 1
118 1 9 ASN H 1 75 LEU MD1 3.400 . 5.000 3.873 3.873 3.873 . 0 0 "[ ]" 1
119 1 9 ASN H 1 76 LYS H 2.600 . 4.000 2.314 2.314 2.314 . 0 0 "[ ]" 1
120 1 9 ASN H 1 76 LYS HB2 2.600 . 3.500 3.117 3.117 3.117 . 0 0 "[ ]" 1
121 1 9 ASN H 1 76 LYS O 2.000 . 2.200 2.310 2.310 2.310 0.110 1 0 "[ ]" 1
122 1 9 ASN HA 1 9 ASN HB3 2.600 . 3.500 2.342 2.342 2.342 . 0 0 "[ ]" 1
123 1 9 ASN HA 1 10 TYR H 2.600 . 3.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
124 1 9 ASN HA 1 10 TYR HA 2.600 . 5.000 4.778 4.778 4.778 . 0 0 "[ ]" 1
125 1 9 ASN HA 1 10 TYR QD 4.400 . 7.000 5.325 5.325 5.325 . 0 0 "[ ]" 1
126 1 9 ASN HA 1 11 LEU H 3.400 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
127 1 9 ASN HA 1 11 LEU MD2 3.900 . 6.000 3.295 3.295 3.295 . 0 0 "[ ]" 1
128 1 9 ASN HA 1 47 TYR HA 2.600 . 3.500 2.081 2.081 2.081 . 0 0 "[ ]" 1
129 1 9 ASN HA 1 47 TYR QD 4.400 . 7.000 3.834 3.834 3.834 . 0 0 "[ ]" 1
130 1 9 ASN HB2 1 9 ASN HD21 3.400 . 5.000 3.325 3.325 3.325 . 0 0 "[ ]" 1
131 1 9 ASN HB2 1 76 LYS HB2 2.100 . 2.500 2.076 2.076 2.076 . 0 0 "[ ]" 1
132 1 9 ASN HB3 1 9 ASN HD21 2.600 . 3.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
133 1 9 ASN HB3 1 10 TYR QD 4.400 . 7.000 4.651 4.651 4.651 . 0 0 "[ ]" 1
134 1 9 ASN HB3 1 47 TYR HB2 3.400 . 3.500 3.565 3.565 3.565 0.065 1 0 "[ ]" 1
135 1 9 ASN HD21 1 47 TYR HA 3.400 . 5.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
136 1 9 ASN HD21 1 47 TYR HB2 3.400 . 5.000 2.964 2.964 2.964 . 0 0 "[ ]" 1
137 1 9 ASN HD21 1 76 LYS QG 3.900 . 6.000 5.215 5.215 5.215 . 0 0 "[ ]" 1
138 1 9 ASN HD22 1 47 TYR HA 3.400 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
139 1 9 ASN N 1 76 LYS O 2.500 . 3.300 3.151 3.151 3.151 . 0 0 "[ ]" 1
140 1 9 ASN O 1 76 LYS H 2.000 . 2.200 2.213 2.213 2.213 0.013 1 0 "[ ]" 1
141 1 9 ASN O 1 76 LYS N 2.500 . 3.300 2.906 2.906 2.906 . 0 0 "[ ]" 1
142 1 10 TYR H 1 10 TYR HB2 2.600 . 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
143 1 10 TYR H 1 10 TYR HB3 3.400 . 5.000 4.144 4.144 4.144 . 0 0 "[ ]" 1
144 1 10 TYR H 1 46 GLY QA 3.900 . 6.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
145 1 10 TYR H 1 47 TYR HA 3.400 . 5.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
146 1 10 TYR HA 1 10 TYR QD 3.100 . 4.500 1.898 1.898 1.898 . 0 0 "[ ]" 1
147 1 10 TYR HA 1 11 LEU H 2.600 . 3.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
148 1 10 TYR HA 1 11 LEU HB2 3.400 . 5.500 5.508 5.508 5.508 0.008 1 0 "[ ]" 1
149 1 10 TYR HB2 1 75 LEU H 2.600 . 5.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
150 1 10 TYR HB2 1 76 LYS HA 3.400 . 5.000 4.532 4.532 4.532 . 0 0 "[ ]" 1
151 1 10 TYR HB3 1 11 LEU H 3.400 . 5.000 4.427 4.427 4.427 . 0 0 "[ ]" 1
152 1 10 TYR HB3 1 75 LEU H 3.400 . 5.000 4.272 4.272 4.272 . 0 0 "[ ]" 1
153 1 10 TYR QD 1 74 ARG QB 4.900 . 5.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
154 1 10 TYR QD 1 75 LEU HA 4.400 . 7.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
155 1 10 TYR QD 1 76 LYS H 2.600 . 5.000 3.328 3.328 3.328 . 0 0 "[ ]" 1
156 1 10 TYR QD 1 76 LYS HB2 3.600 . 5.500 1.986 1.986 1.986 . 0 0 "[ ]" 1
157 1 10 TYR QD 1 76 LYS HB3 4.200 . 6.500 3.635 3.635 3.635 . 0 0 "[ ]" 1
158 1 10 TYR QE 1 76 LYS HB2 3.600 . 5.500 3.018 3.018 3.018 . 0 0 "[ ]" 1
159 1 10 TYR QE 1 76 LYS HB3 3.600 . 5.500 4.515 4.515 4.515 . 0 0 "[ ]" 1
160 1 11 LEU H 1 11 LEU HA 2.600 . 3.500 2.964 2.964 2.964 . 0 0 "[ ]" 1
161 1 11 LEU H 1 11 LEU HB2 2.600 . 3.500 2.751 2.751 2.751 . 0 0 "[ ]" 1
162 1 11 LEU H 1 11 LEU MD2 3.100 . 4.500 3.082 3.082 3.082 . 0 0 "[ ]" 1
163 1 11 LEU H 1 46 GLY QA 3.900 . 6.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
164 1 11 LEU H 1 47 TYR HA 3.400 . 5.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
165 1 11 LEU HA 1 11 LEU HB3 2.600 . 3.500 2.355 2.355 2.355 . 0 0 "[ ]" 1
166 1 11 LEU HA 1 11 LEU MD2 2.600 . 4.500 1.912 1.912 1.912 . 0 0 "[ ]" 1
167 1 11 LEU HB2 1 11 LEU MD1 3.100 . 4.500 2.241 2.241 2.241 . 0 0 "[ ]" 1
168 1 11 LEU HB2 1 14 ASP H 2.600 . 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 1
169 1 11 LEU HB2 1 46 GLY QA 3.900 . 6.000 1.853 1.853 1.853 . 0 0 "[ ]" 1
170 1 11 LEU HB2 1 47 TYR HA 3.400 . 5.000 4.949 4.949 4.949 . 0 0 "[ ]" 1
171 1 11 LEU HB3 1 11 LEU MD2 2.600 . 3.500 2.383 2.383 2.383 . 0 0 "[ ]" 1
172 1 11 LEU HB3 1 46 GLY QA 3.900 . 6.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
173 1 11 LEU MD1 1 15 MET QG 2.100 . 5.500 3.409 3.409 3.409 . 0 0 "[ ]" 1
174 1 11 LEU MD1 1 46 GLY QA 4.400 . 7.000 2.884 2.884 2.884 . 0 0 "[ ]" 1
175 1 11 LEU MD1 1 47 TYR HA 3.100 . 4.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
176 1 11 LEU MD2 1 12 PRO QD 3.600 . 5.500 2.943 2.943 2.943 . 0 0 "[ ]" 1
177 1 11 LEU MD2 1 47 TYR HA 3.900 . 6.000 4.068 4.068 4.068 . 0 0 "[ ]" 1
178 1 12 PRO HA 1 13 GLN H 2.100 . 3.500 3.327 3.327 3.327 . 0 0 "[ ]" 1
179 1 12 PRO QB 1 14 ASP H 3.100 . 4.500 2.798 2.798 2.798 . 0 0 "[ ]" 1
180 1 13 GLN H 1 13 GLN HA 2.600 . 3.500 2.356 2.356 2.356 . 0 0 "[ ]" 1
181 1 13 GLN H 1 13 GLN QG 3.100 . 4.500 2.539 2.539 2.539 . 0 0 "[ ]" 1
182 1 13 GLN H 1 14 ASP H 2.600 . 3.500 2.641 2.641 2.641 . 0 0 "[ ]" 1
183 1 13 GLN H 1 35 ILE MG 3.900 . 6.000 5.020 5.020 5.020 . 0 0 "[ ]" 1
184 1 13 GLN HA 1 13 GLN HB3 2.600 . 3.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
185 1 13 GLN HA 1 14 ASP H 2.600 . 3.500 3.317 3.317 3.317 . 0 0 "[ ]" 1
186 1 13 GLN HA 1 35 ILE MG 3.900 . 6.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
187 1 13 GLN HA 1 45 TYR H 3.400 . 5.000 4.690 4.690 4.690 . 0 0 "[ ]" 1
188 1 13 GLN QB 1 14 ASP H 3.100 . 4.500 3.380 3.380 3.380 . 0 0 "[ ]" 1
189 1 14 ASP H 1 14 ASP HA 2.600 . 3.500 2.987 2.987 2.987 . 0 0 "[ ]" 1
190 1 14 ASP H 1 14 ASP HB3 2.600 . 3.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
191 1 14 ASP H 1 15 MET H 2.600 . 3.500 1.802 1.802 1.802 . 0 0 "[ ]" 1
192 1 14 ASP HA 1 14 ASP HB2 2.600 . 3.500 2.494 2.494 2.494 . 0 0 "[ ]" 1
193 1 14 ASP HA 1 14 ASP HB3 2.600 . 3.500 2.443 2.443 2.443 . 0 0 "[ ]" 1
194 1 15 MET H 1 15 MET HA 2.600 . 3.500 2.845 2.845 2.845 . 0 0 "[ ]" 1
195 1 15 MET H 1 15 MET HB2 2.100 . 3.500 3.579 3.579 3.579 0.079 1 0 "[ ]" 1
196 1 15 MET H 1 16 THR H 3.400 . 5.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
197 1 15 MET HA 1 16 THR H 2.100 . 2.500 2.535 2.535 2.535 0.035 1 0 "[ ]" 1
198 1 15 MET HA 1 16 THR MG 3.900 . 6.000 3.055 3.055 3.055 . 0 0 "[ ]" 1
199 1 15 MET QG 1 16 THR H 3.100 . 4.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
200 1 15 MET QG 1 35 ILE MD 3.600 . 5.000 2.557 2.557 2.557 . 0 0 "[ ]" 1
201 1 15 MET QG 1 35 ILE QG 4.400 . 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
202 1 16 THR H 1 16 THR MG 2.600 . 4.500 2.577 2.577 2.577 . 0 0 "[ ]" 1
203 1 16 THR H 1 17 ASP H 3.400 . 5.000 4.430 4.430 4.430 . 0 0 "[ ]" 1
204 1 16 THR H 1 18 ARG H 3.400 . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
205 1 16 THR HA 1 16 THR MG 2.100 . 3.500 2.488 2.488 2.488 . 0 0 "[ ]" 1
206 1 16 THR HA 1 17 ASP H 2.100 . 3.500 2.261 2.261 2.261 . 0 0 "[ ]" 1
207 1 16 THR HA 1 18 ARG H 3.400 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
208 1 16 THR HB 1 17 ASP H 2.600 . 3.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
209 1 16 THR HB 1 18 ARG H 2.600 . 3.500 2.782 2.782 2.782 . 0 0 "[ ]" 1
210 1 16 THR HB 1 19 GLU H 3.400 . 5.000 4.215 4.215 4.215 . 0 0 "[ ]" 1
211 1 16 THR MG 1 17 ASP H 3.100 . 5.000 4.129 4.129 4.129 . 0 0 "[ ]" 1
212 1 16 THR MG 1 19 GLU HG2 3.900 . 6.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
213 1 16 THR MG 1 19 GLU QG 2.200 . 5.000 3.312 3.312 3.312 . 0 0 "[ ]" 1
214 1 16 THR O 1 20 LEU H 2.000 . 2.200 2.309 2.309 2.309 0.109 1 0 "[ ]" 1
215 1 16 THR O 1 20 LEU N 2.500 . 3.300 3.259 3.259 3.259 . 0 0 "[ ]" 1
216 1 17 ASP H 1 17 ASP HA 2.600 . 3.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
217 1 17 ASP H 1 17 ASP HB2 2.600 . 3.500 2.407 2.407 2.407 . 0 0 "[ ]" 1
218 1 17 ASP H 1 18 ARG H 2.600 . 3.500 2.691 2.691 2.691 . 0 0 "[ ]" 1
219 1 17 ASP H 1 35 ILE QG 3.100 . 4.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
220 1 17 ASP HA 1 20 LEU H 2.600 . 3.500 3.224 3.224 3.224 . 0 0 "[ ]" 1
221 1 17 ASP HA 1 20 LEU MD1 2.200 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
222 1 17 ASP QB 1 48 ALA MB 4.400 . 7.000 5.005 5.005 5.005 . 0 0 "[ ]" 1
223 1 17 ASP HB2 1 18 ARG H 2.600 . 3.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
224 1 17 ASP O 1 21 TYR H 2.000 . 2.200 1.999 1.999 1.999 . 0 0 "[ ]" 1
225 1 17 ASP O 1 21 TYR N 2.500 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 1
226 1 18 ARG H 1 18 ARG HA 2.600 . 3.500 2.877 2.877 2.877 . 0 0 "[ ]" 1
227 1 18 ARG H 1 18 ARG QD 3.900 . 6.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
228 1 18 ARG H 1 18 ARG QG 3.100 . 4.500 3.435 3.435 3.435 . 0 0 "[ ]" 1
229 1 18 ARG H 1 19 GLU H 2.600 . 3.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
230 1 18 ARG H 1 35 ILE QG 3.100 . 6.000 5.369 5.369 5.369 . 0 0 "[ ]" 1
231 1 18 ARG HA 1 18 ARG QG 2.900 . 4.000 2.083 2.083 2.083 . 0 0 "[ ]" 1
232 1 18 ARG HA 1 21 TYR H 2.600 . 3.500 3.218 3.218 3.218 . 0 0 "[ ]" 1
233 1 18 ARG HA 1 21 TYR QB 3.100 . 4.500 2.610 2.610 2.610 . 0 0 "[ ]" 1
234 1 18 ARG HA 1 21 TYR QD 3.600 . 5.500 4.480 4.480 4.480 . 0 0 "[ ]" 1
235 1 18 ARG QB 1 21 TYR QB 3.600 . 5.500 4.307 4.307 4.307 . 0 0 "[ ]" 1
236 1 18 ARG QG 1 19 GLU H 3.900 . 6.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
237 1 18 ARG O 1 22 ALA H 2.000 . 2.200 2.312 2.312 2.312 0.112 1 0 "[ ]" 1
238 1 18 ARG O 1 22 ALA N 2.500 . 3.300 3.145 3.145 3.145 . 0 0 "[ ]" 1
239 1 19 GLU H 1 19 GLU HA 2.600 . 3.500 2.844 2.844 2.844 . 0 0 "[ ]" 1
240 1 19 GLU H 1 19 GLU HB3 2.600 . 3.500 2.825 2.825 2.825 . 0 0 "[ ]" 1
241 1 19 GLU H 1 20 LEU H 2.600 . 3.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
242 1 19 GLU HA 1 19 GLU HB2 2.600 . 3.500 2.600 2.600 2.600 . 0 0 "[ ]" 1
243 1 19 GLU HA 1 19 GLU HB3 2.600 . 3.500 2.372 2.372 2.372 . 0 0 "[ ]" 1
244 1 19 GLU HA 1 21 TYR H 2.600 . 5.000 4.092 4.092 4.092 . 0 0 "[ ]" 1
245 1 19 GLU HA 1 22 ALA MB 2.600 . 3.500 2.580 2.580 2.580 . 0 0 "[ ]" 1
246 1 19 GLU QB 1 21 TYR H 3.900 . 6.000 4.904 4.904 4.904 . 0 0 "[ ]" 1
247 1 19 GLU HB2 1 20 LEU H 2.600 . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1
248 1 19 GLU HG3 1 20 LEU H 2.600 . 3.500 1.917 1.917 1.917 . 0 0 "[ ]" 1
249 1 20 LEU H 1 20 LEU HB2 2.100 . 2.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
250 1 20 LEU H 1 21 TYR H 2.100 . 2.500 2.537 2.537 2.537 0.037 1 0 "[ ]" 1
251 1 20 LEU HA 1 20 LEU HB3 2.600 . 5.000 2.606 2.606 2.606 . 0 0 "[ ]" 1
252 1 20 LEU HA 1 20 LEU MD2 3.100 . 4.500 1.741 1.741 1.741 0.059 1 0 "[ ]" 1
253 1 20 LEU HA 1 24 PHE QE 3.600 . 5.500 3.916 3.916 3.916 . 0 0 "[ ]" 1
254 1 20 LEU HB2 1 21 TYR H 2.600 . 3.500 2.622 2.622 2.622 . 0 0 "[ ]" 1
255 1 20 LEU MD1 1 24 PHE QD 4.900 . 6.000 3.496 3.496 3.496 . 0 0 "[ ]" 1
256 1 20 LEU MD2 1 21 TYR H 4.600 . 5.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
257 1 20 LEU MD2 1 23 LEU HG 2.200 . 5.500 3.696 3.696 3.696 . 0 0 "[ ]" 1
258 1 20 LEU MD2 1 24 PHE QD 4.900 . 6.000 4.495 4.495 4.495 . 0 0 "[ ]" 1
259 1 20 LEU MD2 1 24 PHE QE 4.900 . 7.900 3.262 3.262 3.262 . 0 0 "[ ]" 1
260 1 20 LEU O 1 24 PHE H 2.000 . 2.200 2.035 2.035 2.035 . 0 0 "[ ]" 1
261 1 20 LEU O 1 24 PHE N 2.500 . 3.300 2.938 2.938 2.938 . 0 0 "[ ]" 1
262 1 21 TYR H 1 21 TYR HA 2.600 . 3.500 2.865 2.865 2.865 . 0 0 "[ ]" 1
263 1 21 TYR H 1 21 TYR QD 3.600 . 5.500 4.013 4.013 4.013 . 0 0 "[ ]" 1
264 1 21 TYR H 1 22 ALA H 2.100 . 2.500 2.551 2.551 2.551 0.051 1 0 "[ ]" 1
265 1 21 TYR H 1 24 PHE H 3.400 . 5.000 4.971 4.971 4.971 . 0 0 "[ ]" 1
266 1 21 TYR HA 1 21 TYR QD 3.100 . 4.500 1.954 1.954 1.954 . 0 0 "[ ]" 1
267 1 21 TYR HA 1 24 PHE H 2.600 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
268 1 21 TYR HA 1 24 PHE HB2 2.600 . 3.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
269 1 21 TYR HA 1 24 PHE HB3 3.400 . 5.000 4.544 4.544 4.544 . 0 0 "[ ]" 1
270 1 21 TYR QB 1 22 ALA H 3.100 . 4.500 2.752 2.752 2.752 . 0 0 "[ ]" 1
271 1 21 TYR QD 1 22 ALA H 3.600 . 5.500 4.469 4.469 4.469 . 0 0 "[ ]" 1
272 1 21 TYR QD 1 24 PHE H 4.400 . 7.000 4.896 4.896 4.896 . 0 0 "[ ]" 1
273 1 21 TYR QD 1 24 PHE QD 4.200 . 6.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
274 1 21 TYR QD 1 25 ARG H 4.400 . 7.000 3.285 3.285 3.285 . 0 0 "[ ]" 1
275 1 21 TYR QD 1 25 ARG QG 3.600 . 5.500 3.280 3.280 3.280 . 0 0 "[ ]" 1
276 1 21 TYR QD 1 30 ILE MG 4.200 . 8.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
277 1 21 TYR HD1 1 33 CYS HB2 3.600 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
278 1 21 TYR HD1 1 33 CYS HB3 3.600 . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
279 1 21 TYR QE 1 24 PHE HB2 3.600 . 7.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
280 1 21 TYR QE 1 25 ARG QG 4.200 . 6.500 2.311 2.311 2.311 . 0 0 "[ ]" 1
281 1 21 TYR QE 1 30 ILE H 4.400 . 7.000 3.438 3.438 3.438 . 0 0 "[ ]" 1
282 1 21 TYR QE 1 30 ILE HB 3.600 . 5.500 1.876 1.876 1.876 . 0 0 "[ ]" 1
283 1 21 TYR QE 1 30 ILE MD 4.200 . 6.500 3.019 3.019 3.019 . 0 0 "[ ]" 1
284 1 21 TYR QE 1 30 ILE MG 4.200 . 8.000 3.235 3.235 3.235 . 0 0 "[ ]" 1
285 1 21 TYR O 1 25 ARG H 2.000 . 2.200 2.071 2.071 2.071 . 0 0 "[ ]" 1
286 1 21 TYR O 1 25 ARG N 2.500 . 3.300 2.804 2.804 2.804 . 0 0 "[ ]" 1
287 1 22 ALA H 1 22 ALA HA 2.600 . 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
288 1 22 ALA H 1 23 LEU H 2.600 . 3.500 2.618 2.618 2.618 . 0 0 "[ ]" 1
289 1 22 ALA HA 1 23 LEU H 2.600 . 3.500 3.458 3.458 3.458 . 0 0 "[ ]" 1
290 1 22 ALA HA 1 25 ARG H 2.600 . 5.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
291 1 22 ALA HA 1 25 ARG QB 3.100 . 4.500 3.425 3.425 3.425 . 0 0 "[ ]" 1
292 1 22 ALA MB 1 23 LEU H 2.600 . 3.500 2.888 2.888 2.888 . 0 0 "[ ]" 1
293 1 23 LEU H 1 23 LEU MD2 3.100 . 4.500 2.136 2.136 2.136 . 0 0 "[ ]" 1
294 1 23 LEU H 1 24 PHE H 2.100 . 2.500 2.523 2.523 2.523 0.023 1 0 "[ ]" 1
295 1 23 LEU HA 1 23 LEU MD1 2.600 . 4.500 2.436 2.436 2.436 . 0 0 "[ ]" 1
296 1 23 LEU HA 1 23 LEU MD2 3.100 . 4.500 2.017 2.017 2.017 . 0 0 "[ ]" 1
297 1 23 LEU HA 1 24 PHE H 2.600 . 5.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
298 1 23 LEU HA 1 25 ARG H 3.400 . 5.000 4.835 4.835 4.835 . 0 0 "[ ]" 1
299 1 23 LEU HB2 1 23 LEU MD2 2.600 . 3.500 2.721 2.721 2.721 . 0 0 "[ ]" 1
300 1 23 LEU HB2 1 24 PHE H 2.100 . 2.500 2.025 2.025 2.025 . 0 0 "[ ]" 1
301 1 23 LEU HB2 1 24 PHE QD 3.600 . 6.500 2.937 2.937 2.937 . 0 0 "[ ]" 1
302 1 23 LEU HB2 1 24 PHE QE 3.600 . 5.500 3.195 3.195 3.195 . 0 0 "[ ]" 1
303 1 23 LEU MD1 1 68 ILE HB 2.600 . 5.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
304 1 23 LEU MD2 1 24 PHE QD 4.200 . 7.000 4.899 4.899 4.899 . 0 0 "[ ]" 1
305 1 23 LEU HG 1 24 PHE H 3.400 . 5.000 4.285 4.285 4.285 . 0 0 "[ ]" 1
306 1 23 LEU HG 1 24 PHE QD 3.500 2.200 5.900 4.782 4.782 4.782 . 0 0 "[ ]" 1
307 1 23 LEU HG 1 24 PHE QE 3.100 . 5.500 4.111 4.111 4.111 . 0 0 "[ ]" 1
308 1 23 LEU O 1 27 ILE H 2.000 . 2.200 2.175 2.175 2.175 . 0 0 "[ ]" 1
309 1 23 LEU O 1 27 ILE N 2.500 . 3.300 3.025 3.025 3.025 . 0 0 "[ ]" 1
310 1 24 PHE H 1 24 PHE HA 2.600 . 3.500 2.807 2.807 2.807 . 0 0 "[ ]" 1
311 1 24 PHE H 1 24 PHE HB2 2.600 . 3.500 2.750 2.750 2.750 . 0 0 "[ ]" 1
312 1 24 PHE H 1 24 PHE QD 3.600 . 5.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
313 1 24 PHE H 1 25 ARG H 2.600 . 3.500 2.876 2.876 2.876 . 0 0 "[ ]" 1
314 1 24 PHE H 1 26 ALA H 3.400 . 5.000 4.067 4.067 4.067 . 0 0 "[ ]" 1
315 1 24 PHE H 1 28 GLY H 3.400 . 5.500 5.531 5.531 5.531 0.031 1 0 "[ ]" 1
316 1 24 PHE H 1 30 ILE MD 3.100 . 6.000 3.916 3.916 3.916 . 0 0 "[ ]" 1
317 1 24 PHE H 1 30 ILE QG 3.900 . 6.000 5.201 5.201 5.201 . 0 0 "[ ]" 1
318 1 24 PHE H 1 65 LEU MD1 3.900 . 6.000 4.031 4.031 4.031 . 0 0 "[ ]" 1
319 1 24 PHE HA 1 24 PHE HB3 2.600 . 3.500 2.374 2.374 2.374 . 0 0 "[ ]" 1
320 1 24 PHE HA 1 24 PHE QD 3.100 . 4.500 2.110 2.110 2.110 . 0 0 "[ ]" 1
321 1 24 PHE HA 1 25 ARG H 2.600 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
322 1 24 PHE HA 1 26 ALA H 2.600 . 3.500 3.610 3.610 3.610 0.110 1 0 "[ ]" 1
323 1 24 PHE HA 1 27 ILE H 3.400 . 5.000 2.774 2.774 2.774 . 0 0 "[ ]" 1
324 1 24 PHE HA 1 27 ILE HB 3.400 . 5.000 2.150 2.150 2.150 . 0 0 "[ ]" 1
325 1 24 PHE HA 1 27 ILE QG 3.900 . 6.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
326 1 24 PHE HA 1 27 ILE MG 3.100 . 4.500 3.766 3.766 3.766 . 0 0 "[ ]" 1
327 1 24 PHE HA 1 30 ILE MD 3.900 . 6.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
328 1 24 PHE HA 1 65 LEU MD1 3.100 . 4.500 3.042 3.042 3.042 . 0 0 "[ ]" 1
329 1 24 PHE HB2 1 24 PHE QD 3.100 . 4.500 2.479 2.479 2.479 . 0 0 "[ ]" 1
330 1 24 PHE HB2 1 25 ARG H 2.600 . 3.500 2.375 2.375 2.375 . 0 0 "[ ]" 1
331 1 24 PHE HB2 1 30 ILE HB 3.400 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
332 1 24 PHE HB2 1 30 ILE MD 3.100 . 4.500 1.729 1.729 1.729 0.071 1 0 "[ ]" 1
333 1 24 PHE HB2 1 30 ILE QG 3.900 . 6.000 2.845 2.845 2.845 . 0 0 "[ ]" 1
334 1 24 PHE HB2 1 50 VAL MG1 3.100 . 4.500 3.605 3.605 3.605 . 0 0 "[ ]" 1
335 1 24 PHE HB2 1 50 VAL MG2 3.900 . 6.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
336 1 24 PHE HB2 1 52 PHE HZ 2.600 . 5.000 4.732 4.732 4.732 . 0 0 "[ ]" 1
337 1 24 PHE HB2 1 65 LEU MD1 3.900 . 6.000 4.798 4.798 4.798 . 0 0 "[ ]" 1
338 1 24 PHE HB3 1 24 PHE QD 2.600 . 3.500 2.790 2.790 2.790 . 0 0 "[ ]" 1
339 1 24 PHE HB3 1 27 ILE H 3.400 . 5.000 4.715 4.715 4.715 . 0 0 "[ ]" 1
340 1 24 PHE HB3 1 30 ILE H 2.600 . 5.000 4.324 4.324 4.324 . 0 0 "[ ]" 1
341 1 24 PHE HB3 1 30 ILE MD 3.100 . 4.500 1.917 1.917 1.917 . 0 0 "[ ]" 1
342 1 24 PHE HB3 1 30 ILE QG 3.100 . 4.500 2.320 2.320 2.320 . 0 0 "[ ]" 1
343 1 24 PHE HB3 1 52 PHE HZ 2.600 . 3.500 3.058 3.058 3.058 . 0 0 "[ ]" 1
344 1 24 PHE QD 1 25 ARG H 4.400 . 5.500 4.122 4.122 4.122 . 0 0 "[ ]" 1
345 1 24 PHE QD 1 27 ILE HB 4.400 . 7.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
346 1 24 PHE QD 1 30 ILE HB 3.600 . 7.000 4.929 4.929 4.929 . 0 0 "[ ]" 1
347 1 24 PHE QD 1 30 ILE MD 4.200 . 6.500 1.752 1.752 1.752 0.048 1 0 "[ ]" 1
348 1 24 PHE QD 1 50 VAL MG1 4.200 . 6.500 2.090 2.090 2.090 . 0 0 "[ ]" 1
349 1 24 PHE QD 1 52 PHE QE 4.200 . 6.500 4.035 4.035 4.035 . 0 0 "[ ]" 1
350 1 24 PHE QD 1 52 PHE HZ 3.600 . 5.500 3.553 3.553 3.553 . 0 0 "[ ]" 1
351 1 24 PHE QD 1 65 LEU MD1 4.200 . 6.500 1.956 1.956 1.956 . 0 0 "[ ]" 1
352 1 24 PHE QE 1 30 ILE QG 4.200 . 6.500 5.383 5.383 5.383 . 0 0 "[ ]" 1
353 1 24 PHE QE 1 50 VAL HB 3.600 . 5.500 3.957 3.957 3.957 . 0 0 "[ ]" 1
354 1 24 PHE QE 1 50 VAL MG2 4.200 . 6.500 1.832 1.832 1.832 . 0 0 "[ ]" 1
355 1 24 PHE QE 1 52 PHE QD 5.400 . 9.000 6.870 6.870 6.870 . 0 0 "[ ]" 1
356 1 24 PHE QE 1 52 PHE QE 4.700 . 7.500 5.290 5.290 5.290 . 0 0 "[ ]" 1
357 1 24 PHE QE 1 52 PHE HZ 3.600 . 5.500 4.680 4.680 4.680 . 0 0 "[ ]" 1
358 1 24 PHE QE 1 65 LEU MD1 4.200 . 6.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
359 1 24 PHE QE 1 65 LEU HG 4.400 . 7.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
360 1 24 PHE QE 1 77 VAL MG2 4.400 . 6.900 4.845 4.845 4.845 . 0 0 "[ ]" 1
361 1 25 ARG H 1 25 ARG HA 2.600 . 3.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
362 1 25 ARG H 1 26 ALA H 2.600 . 3.500 2.822 2.822 2.822 . 0 0 "[ ]" 1
363 1 25 ARG H 1 26 ALA MB 3.900 . 6.000 4.478 4.478 4.478 . 0 0 "[ ]" 1
364 1 25 ARG H 1 27 ILE H 3.400 . 5.000 4.177 4.177 4.177 . 0 0 "[ ]" 1
365 1 25 ARG H 1 28 GLY H 3.400 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
366 1 25 ARG H 1 30 ILE MD 3.100 . 4.500 3.357 3.357 3.357 . 0 0 "[ ]" 1
367 1 25 ARG HA 1 26 ALA H 3.400 . 5.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
368 1 25 ARG HA 1 27 ILE H 3.400 . 5.000 4.529 4.529 4.529 . 0 0 "[ ]" 1
369 1 25 ARG HA 1 30 ILE MD 3.100 . 6.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
370 1 25 ARG HA 1 30 ILE QG 3.900 . 6.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
371 1 25 ARG QG 1 30 ILE H 3.900 . 6.000 4.727 4.727 4.727 . 0 0 "[ ]" 1
372 1 25 ARG QG 1 30 ILE MD 3.600 . 7.000 5.087 5.087 5.087 . 0 0 "[ ]" 1
373 1 26 ALA H 1 26 ALA HA 2.600 . 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
374 1 26 ALA H 1 26 ALA MB 2.500 . 3.100 2.175 2.175 2.175 . 0 0 "[ ]" 1
375 1 26 ALA H 1 27 ILE H 2.600 . 3.500 2.153 2.153 2.153 . 0 0 "[ ]" 1
376 1 26 ALA H 1 27 ILE HB 3.400 . 5.000 4.346 4.346 4.346 . 0 0 "[ ]" 1
377 1 26 ALA H 1 27 ILE MD 3.900 . 6.000 4.033 4.033 4.033 . 0 0 "[ ]" 1
378 1 26 ALA H 1 27 ILE QG 3.900 . 6.000 4.000 4.000 4.000 . 0 0 "[ ]" 1
379 1 26 ALA HA 1 27 ILE H 2.600 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
380 1 26 ALA MB 1 27 ILE H 3.100 . 4.500 2.813 2.813 2.813 . 0 0 "[ ]" 1
381 1 26 ALA MB 1 27 ILE HA 3.900 . 6.000 3.825 3.825 3.825 . 0 0 "[ ]" 1
382 1 27 ILE H 1 27 ILE HA 2.600 . 3.500 2.919 2.919 2.919 . 0 0 "[ ]" 1
383 1 27 ILE H 1 27 ILE HB 2.100 . 3.500 2.451 2.451 2.451 . 0 0 "[ ]" 1
384 1 27 ILE H 1 27 ILE QG 2.600 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
385 1 27 ILE H 1 28 GLY H 2.600 . 3.500 2.779 2.779 2.779 . 0 0 "[ ]" 1
386 1 27 ILE H 1 65 LEU MD1 3.900 . 6.000 4.712 4.712 4.712 . 0 0 "[ ]" 1
387 1 27 ILE HA 1 27 ILE QG 3.400 . 5.000 2.399 2.399 2.399 . 0 0 "[ ]" 1
388 1 27 ILE HA 1 27 ILE MG 2.100 . 3.500 2.297 2.297 2.297 . 0 0 "[ ]" 1
389 1 27 ILE HA 1 28 GLY H 2.600 . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 1
390 1 27 ILE HB 1 27 ILE QG 2.600 . 3.500 2.518 2.518 2.518 . 0 0 "[ ]" 1
391 1 27 ILE HB 1 28 GLY H 2.100 . 2.500 2.043 2.043 2.043 . 0 0 "[ ]" 1
392 1 27 ILE HB 1 30 ILE QG 3.900 . 6.000 5.074 5.074 5.074 . 0 0 "[ ]" 1
393 1 27 ILE HB 1 52 PHE HZ 2.600 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 1
394 1 27 ILE HB 1 61 ALA MB 3.100 . 4.500 3.373 3.373 3.373 . 0 0 "[ ]" 1
395 1 27 ILE HB 1 65 LEU MD1 3.900 . 6.000 3.018 3.018 3.018 . 0 0 "[ ]" 1
396 1 27 ILE HB 1 65 LEU HG 2.200 . 5.000 4.473 4.473 4.473 . 0 0 "[ ]" 1
397 1 27 ILE QG 1 52 PHE HZ 3.900 . 6.000 5.209 5.209 5.209 . 0 0 "[ ]" 1
398 1 27 ILE MG 1 28 GLY H 3.100 . 4.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
399 1 27 ILE MG 1 28 GLY QA 4.400 . 7.000 3.183 3.183 3.183 . 0 0 "[ ]" 1
400 1 27 ILE MG 1 52 PHE QD 4.900 . 8.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
401 1 27 ILE MG 1 52 PHE QE 4.200 . 6.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
402 1 27 ILE MG 1 52 PHE HZ 3.100 . 4.500 3.399 3.399 3.399 . 0 0 "[ ]" 1
403 1 27 ILE MG 1 60 ARG QD 3.600 . 5.500 3.876 3.876 3.876 . 0 0 "[ ]" 1
404 1 27 ILE MG 1 61 ALA HA 2.600 . 3.500 2.905 2.905 2.905 . 0 0 "[ ]" 1
405 1 27 ILE MG 1 61 ALA MB 3.100 . 4.500 1.582 1.582 1.582 0.218 1 0 "[ ]" 1
406 1 28 GLY QA 1 29 PRO QD 3.600 . 5.500 1.859 1.859 1.859 . 0 0 "[ ]" 1
407 1 28 GLY QA 1 30 ILE H 3.100 . 4.500 3.986 3.986 3.986 . 0 0 "[ ]" 1
408 1 29 PRO HA 1 30 ILE H 2.100 . 2.500 2.530 2.530 2.530 0.030 1 0 "[ ]" 1
409 1 29 PRO QB 1 30 ILE H 3.100 . 4.500 3.972 3.972 3.972 . 0 0 "[ ]" 1
410 1 29 PRO QB 1 53 THR MG 3.600 . 5.500 3.224 3.224 3.224 . 0 0 "[ ]" 1
411 1 29 PRO QD 1 57 ASP HB2 3.900 . 6.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
412 1 29 PRO QG 1 30 ILE H 3.900 . 6.000 4.752 4.752 4.752 . 0 0 "[ ]" 1
413 1 29 PRO QG 1 53 THR MG 3.600 . 5.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
414 1 30 ILE H 1 30 ILE HB 2.600 . 3.500 2.560 2.560 2.560 . 0 0 "[ ]" 1
415 1 30 ILE H 1 30 ILE MD 3.100 . 4.500 3.643 3.643 3.643 . 0 0 "[ ]" 1
416 1 30 ILE H 1 52 PHE QD 4.400 . 7.000 3.147 3.147 3.147 . 0 0 "[ ]" 1
417 1 30 ILE HA 1 30 ILE MG 2.900 . 4.000 2.303 2.303 2.303 . 0 0 "[ ]" 1
418 1 30 ILE HA 1 31 ASN H 2.100 . 2.500 2.290 2.290 2.290 . 0 0 "[ ]" 1
419 1 30 ILE HA 1 52 PHE HA 2.600 . 3.500 1.931 1.931 1.931 . 0 0 "[ ]" 1
420 1 30 ILE HA 1 53 THR H 2.600 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
421 1 30 ILE HB 1 30 ILE MD 2.600 . 3.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
422 1 30 ILE MD 1 31 ASN H 3.900 . 6.000 4.599 4.599 4.599 . 0 0 "[ ]" 1
423 1 30 ILE MD 1 33 CYS HB2 3.900 . 6.000 4.311 4.311 4.311 . 0 0 "[ ]" 1
424 1 30 ILE MD 1 33 CYS HB3 3.100 . 4.500 3.499 3.499 3.499 . 0 0 "[ ]" 1
425 1 30 ILE MD 1 52 PHE QD 4.200 . 6.500 4.184 4.184 4.184 . 0 0 "[ ]" 1
426 1 30 ILE MD 1 52 PHE QE 4.200 . 6.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
427 1 30 ILE MD 1 52 PHE HZ 3.900 . 6.000 3.970 3.970 3.970 . 0 0 "[ ]" 1
428 1 30 ILE QG 1 31 ASN H 3.900 . 6.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
429 1 30 ILE QG 1 52 PHE QD 4.200 . 4.500 2.683 2.683 2.683 . 0 0 "[ ]" 1
430 1 30 ILE QG 1 52 PHE HZ 3.100 . 6.000 4.038 4.038 4.038 . 0 0 "[ ]" 1
431 1 30 ILE MG 1 31 ASN H 3.100 . 4.500 1.841 1.841 1.841 . 0 0 "[ ]" 1
432 1 30 ILE MG 1 32 THR H 3.100 . 4.500 1.775 1.775 1.775 0.025 1 0 "[ ]" 1
433 1 30 ILE MG 1 32 THR HA 3.100 . 4.500 3.329 3.329 3.329 . 0 0 "[ ]" 1
434 1 30 ILE MG 1 33 CYS H 3.900 . 6.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
435 1 30 ILE MG 1 33 CYS HA 3.900 . 6.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
436 1 30 ILE MG 1 33 CYS HB2 3.100 . 6.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
437 1 30 ILE MG 1 33 CYS HB3 3.100 . 6.000 3.725 3.725 3.725 . 0 0 "[ ]" 1
438 1 30 ILE MG 1 50 VAL HA 3.900 . 6.000 3.379 3.379 3.379 . 0 0 "[ ]" 1
439 1 30 ILE MG 1 51 ASP H 3.100 . 4.500 2.894 2.894 2.894 . 0 0 "[ ]" 1
440 1 30 ILE MG 1 51 ASP HB2 3.900 . 6.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
441 1 30 ILE MG 1 51 ASP HB3 3.900 . 6.000 3.430 3.430 3.430 . 0 0 "[ ]" 1
442 1 31 ASN H 1 32 THR H 2.600 . 3.500 1.984 1.984 1.984 . 0 0 "[ ]" 1
443 1 31 ASN H 1 52 PHE HA 2.600 . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
444 1 31 ASN H 1 53 THR H 3.400 . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
445 1 31 ASN H 1 53 THR MG 3.900 . 6.000 3.370 3.370 3.370 . 0 0 "[ ]" 1
446 1 31 ASN HA 1 53 THR HB 3.400 . 5.000 4.704 4.704 4.704 . 0 0 "[ ]" 1
447 1 31 ASN HB2 1 32 THR H 2.600 . 5.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
448 1 31 ASN HB2 1 53 THR MG 3.900 . 6.000 3.759 3.759 3.759 . 0 0 "[ ]" 1
449 1 31 ASN HB3 1 31 ASN HD22 2.600 . 3.500 3.626 3.626 3.626 0.126 1 0 "[ ]" 1
450 1 31 ASN HB3 1 53 THR MG 3.900 . 6.000 2.331 2.331 2.331 . 0 0 "[ ]" 1
451 1 32 THR H 1 32 THR HA 2.600 . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
452 1 32 THR H 1 33 CYS H 3.400 . 5.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
453 1 32 THR H 1 51 ASP H 2.600 . 3.500 3.550 3.550 3.550 0.050 1 0 "[ ]" 1
454 1 32 THR H 1 53 THR H 3.400 . 6.000 5.950 5.950 5.950 . 0 0 "[ ]" 1
455 1 32 THR HA 1 32 THR MG 2.600 . 3.500 2.345 2.345 2.345 . 0 0 "[ ]" 1
456 1 32 THR HA 1 33 CYS H 2.100 . 2.500 2.313 2.313 2.313 . 0 0 "[ ]" 1
457 1 32 THR HB 1 33 CYS HA 3.400 . 5.000 4.700 4.700 4.700 . 0 0 "[ ]" 1
458 1 32 THR HB 1 51 ASP H 3.400 . 5.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
459 1 32 THR HB 1 51 ASP HB2 2.600 . 5.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
460 1 32 THR MG 1 33 CYS H 3.100 . 5.000 1.938 1.938 1.938 . 0 0 "[ ]" 1
461 1 32 THR MG 1 34 ARG QD 4.400 . 7.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
462 1 32 THR MG 1 51 ASP H 3.900 . 6.000 4.649 4.649 4.649 . 0 0 "[ ]" 1
463 1 33 CYS H 1 33 CYS HA 2.600 . 3.500 2.982 2.982 2.982 . 0 0 "[ ]" 1
464 1 33 CYS H 1 33 CYS HB2 2.600 . 3.500 3.003 3.003 3.003 . 0 0 "[ ]" 1
465 1 33 CYS HA 1 33 CYS HB3 2.600 . 3.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
466 1 33 CYS HA 1 34 ARG H 2.100 . 2.500 2.213 2.213 2.213 . 0 0 "[ ]" 1
467 1 33 CYS HA 1 50 VAL HA 2.600 . 3.500 2.488 2.488 2.488 . 0 0 "[ ]" 1
468 1 33 CYS HA 1 50 VAL MG2 3.100 . 4.500 2.853 2.853 2.853 . 0 0 "[ ]" 1
469 1 33 CYS HA 1 51 ASP H 2.600 . 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 1
470 1 33 CYS HB2 1 50 VAL MG1 3.900 . 6.000 4.825 4.825 4.825 . 0 0 "[ ]" 1
471 1 33 CYS HB2 1 50 VAL MG2 3.900 . 6.000 3.934 3.934 3.934 . 0 0 "[ ]" 1
472 1 33 CYS HB3 1 34 ARG H 3.400 . 5.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
473 1 33 CYS HB3 1 50 VAL HA 2.600 . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
474 1 33 CYS HB3 1 50 VAL MG1 3.100 . 4.500 3.553 3.553 3.553 . 0 0 "[ ]" 1
475 1 33 CYS HB3 1 50 VAL MG2 3.900 . 6.000 2.377 2.377 2.377 . 0 0 "[ ]" 1
476 1 34 ARG H 1 48 ALA MB 3.900 . 6.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
477 1 34 ARG H 1 49 PHE QD 3.600 . 5.500 5.158 5.158 5.158 . 0 0 "[ ]" 1
478 1 34 ARG H 1 49 PHE O 2.000 . 2.200 2.060 2.060 2.060 . 0 0 "[ ]" 1
479 1 34 ARG H 1 50 VAL MG2 3.900 . 6.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
480 1 34 ARG HA 1 35 ILE H 3.400 . 5.000 2.484 2.484 2.484 . 0 0 "[ ]" 1
481 1 34 ARG QD 1 35 ILE H 3.900 . 6.000 3.210 3.210 3.210 . 0 0 "[ ]" 1
482 1 34 ARG QG 1 49 PHE HB2 3.900 . 6.000 4.577 4.577 4.577 . 0 0 "[ ]" 1
483 1 34 ARG N 1 49 PHE O 2.500 . 3.300 2.981 2.981 2.981 . 0 0 "[ ]" 1
484 1 34 ARG O 1 49 PHE H 2.000 . 2.200 2.050 2.050 2.050 . 0 0 "[ ]" 1
485 1 34 ARG O 1 49 PHE N 2.500 . 3.300 2.974 2.974 2.974 . 0 0 "[ ]" 1
486 1 35 ILE H 1 35 ILE HA 2.600 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
487 1 35 ILE H 1 35 ILE HB 2.100 . 2.500 2.563 2.563 2.563 0.063 1 0 "[ ]" 1
488 1 35 ILE H 1 35 ILE QG 3.100 . 4.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
489 1 35 ILE H 1 36 MET H 3.400 . 5.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
490 1 35 ILE HA 1 35 ILE MG 2.900 . 4.000 2.500 2.500 2.500 . 0 0 "[ ]" 1
491 1 35 ILE HA 1 36 MET H 2.100 . 2.500 2.306 2.306 2.306 . 0 0 "[ ]" 1
492 1 35 ILE HA 1 48 ALA HA 3.400 . 5.000 2.671 2.671 2.671 . 0 0 "[ ]" 1
493 1 35 ILE HA 1 48 ALA MB 3.100 . 4.500 1.742 1.742 1.742 0.058 1 0 "[ ]" 1
494 1 35 ILE HA 1 49 PHE H 2.600 . 3.500 2.941 2.941 2.941 . 0 0 "[ ]" 1
495 1 35 ILE HB 1 36 MET H 3.400 . 5.000 4.122 4.122 4.122 . 0 0 "[ ]" 1
496 1 35 ILE QG 1 48 ALA HA 2.100 . 5.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
497 1 35 ILE QG 1 48 ALA MB 2.200 . 5.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
498 1 35 ILE QG 1 49 PHE H 3.900 . 6.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
499 1 35 ILE MG 1 36 MET H 3.100 . 4.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
500 1 35 ILE MG 1 37 ARG QB 3.600 . 5.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
501 1 35 ILE MG 1 48 ALA HA 2.100 . 5.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
502 1 36 MET H 1 36 MET HB2 2.600 . 3.500 2.501 2.501 2.501 . 0 0 "[ ]" 1
503 1 36 MET H 1 36 MET HG2 3.400 . 5.000 3.280 3.280 3.280 . 0 0 "[ ]" 1
504 1 36 MET H 1 36 MET HG3 2.600 . 3.500 3.024 3.024 3.024 . 0 0 "[ ]" 1
505 1 36 MET H 1 37 ARG H 3.400 . 5.000 4.506 4.506 4.506 . 0 0 "[ ]" 1
506 1 36 MET H 1 47 TYR QD 4.400 . 7.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
507 1 36 MET H 1 47 TYR O 2.000 . 2.200 2.288 2.288 2.288 0.088 1 0 "[ ]" 1
508 1 36 MET H 1 48 ALA HA 3.400 . 5.000 1.960 1.960 1.960 . 0 0 "[ ]" 1
509 1 36 MET H 1 48 ALA MB 3.100 . 4.500 2.543 2.543 2.543 . 0 0 "[ ]" 1
510 1 36 MET HA 1 36 MET HB3 2.600 . 3.500 2.501 2.501 2.501 . 0 0 "[ ]" 1
511 1 36 MET HA 1 37 ARG H 2.100 . 3.500 2.173 2.173 2.173 . 0 0 "[ ]" 1
512 1 36 MET HB2 1 45 TYR QE 3.600 . 5.500 2.982 2.982 2.982 . 0 0 "[ ]" 1
513 1 36 MET HB2 1 47 TYR QD 4.400 . 7.000 2.095 2.095 2.095 . 0 0 "[ ]" 1
514 1 36 MET HB2 1 49 PHE QE 4.400 . 7.000 5.255 5.255 5.255 . 0 0 "[ ]" 1
515 1 36 MET HB3 1 37 ARG H 3.400 . 5.000 3.234 3.234 3.234 . 0 0 "[ ]" 1
516 1 36 MET HB3 1 47 TYR QD 4.400 . 7.000 3.051 3.051 3.051 . 0 0 "[ ]" 1
517 1 36 MET HB3 1 47 TYR QE 3.600 . 5.500 3.285 3.285 3.285 . 0 0 "[ ]" 1
518 1 36 MET ME 1 45 TYR QE 4.900 . 8.000 4.820 4.820 4.820 . 0 0 "[ ]" 1
519 1 36 MET ME 1 49 PHE QD 4.900 . 8.000 3.814 3.814 3.814 . 0 0 "[ ]" 1
520 1 36 MET ME 1 49 PHE QE 4.200 . 6.500 3.180 3.180 3.180 . 0 0 "[ ]" 1
521 1 36 MET HG2 1 47 TYR QD 4.400 . 7.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
522 1 36 MET HG2 1 47 TYR QE 3.600 . 5.500 4.079 4.079 4.079 . 0 0 "[ ]" 1
523 1 36 MET HG2 1 49 PHE QD 4.400 . 7.000 3.142 3.142 3.142 . 0 0 "[ ]" 1
524 1 36 MET HG2 1 49 PHE QE 3.600 . 5.500 3.800 3.800 3.800 . 0 0 "[ ]" 1
525 1 36 MET HG3 1 47 TYR QD 4.400 . 7.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
526 1 36 MET HG3 1 47 TYR QE 3.600 . 5.500 2.929 2.929 2.929 . 0 0 "[ ]" 1
527 1 36 MET HG3 1 49 PHE QE 3.600 . 5.500 3.549 3.549 3.549 . 0 0 "[ ]" 1
528 1 36 MET N 1 47 TYR O 2.500 . 3.300 3.138 3.138 3.138 . 0 0 "[ ]" 1
529 1 37 ARG H 1 38 ASP H 3.400 . 5.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
530 1 37 ARG HA 1 45 TYR H 2.600 . 3.500 3.529 3.529 3.529 0.029 1 0 "[ ]" 1
531 1 37 ARG HA 1 45 TYR QD 4.400 . 7.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
532 1 37 ARG HA 1 45 TYR QE 4.400 . 7.000 3.819 3.819 3.819 . 0 0 "[ ]" 1
533 1 37 ARG QB 1 44 SER H 3.900 . 6.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
534 1 37 ARG QB 1 45 TYR H 3.900 . 6.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
535 1 37 ARG QG 1 38 ASP H 3.100 . 6.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
536 1 37 ARG QG 1 44 SER QB 3.600 . 5.500 2.715 2.715 2.715 . 0 0 "[ ]" 1
537 1 38 ASP H 1 38 ASP HA 2.600 . 3.500 2.766 2.766 2.766 . 0 0 "[ ]" 1
538 1 38 ASP H 1 38 ASP HB2 2.600 . 3.500 2.294 2.294 2.294 . 0 0 "[ ]" 1
539 1 38 ASP H 1 38 ASP HB3 2.600 . 3.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
540 1 38 ASP H 1 39 TYR H 3.400 . 5.000 4.595 4.595 4.595 . 0 0 "[ ]" 1
541 1 38 ASP H 1 43 TYR H 3.400 . 5.000 3.980 3.980 3.980 . 0 0 "[ ]" 1
542 1 38 ASP H 1 44 SER H 3.400 . 5.000 4.486 4.486 4.486 . 0 0 "[ ]" 1
543 1 38 ASP H 1 45 TYR QD 4.400 . 7.000 4.726 4.726 4.726 . 0 0 "[ ]" 1
544 1 38 ASP H 1 45 TYR QE 4.400 . 7.000 4.356 4.356 4.356 . 0 0 "[ ]" 1
545 1 38 ASP HA 1 38 ASP HB2 2.600 . 3.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
546 1 38 ASP HB2 1 39 TYR H 3.400 . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
547 1 38 ASP HB2 1 42 GLY H 3.400 . 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
548 1 38 ASP HB2 1 43 TYR H 3.400 . 5.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
549 1 38 ASP HB2 1 45 TYR QE 3.600 . 6.500 5.111 5.111 5.111 . 0 0 "[ ]" 1
550 1 38 ASP HB3 1 39 TYR H 3.400 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
551 1 38 ASP HB3 1 41 THR HB 3.400 . 5.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
552 1 39 TYR H 1 39 TYR HA 2.600 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
553 1 39 TYR H 1 40 LYS H 2.600 . 3.500 2.479 2.479 2.479 . 0 0 "[ ]" 1
554 1 39 TYR HA 1 40 LYS H 2.600 . 3.500 3.316 3.316 3.316 . 0 0 "[ ]" 1
555 1 39 TYR QB 1 40 LYS H 3.100 . 4.500 3.383 3.383 3.383 . 0 0 "[ ]" 1
556 1 39 TYR QD 1 40 LYS H 4.400 . 7.000 4.922 4.922 4.922 . 0 0 "[ ]" 1
557 1 40 LYS H 1 40 LYS HA 2.600 . 3.500 2.976 2.976 2.976 . 0 0 "[ ]" 1
558 1 40 LYS H 1 40 LYS HB3 2.100 . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
559 1 40 LYS H 1 41 THR H 2.600 . 3.500 2.625 2.625 2.625 . 0 0 "[ ]" 1
560 1 40 LYS HA 1 40 LYS QG 2.900 . 4.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
561 1 40 LYS HA 1 41 THR H 3.400 . 5.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
562 1 40 LYS QB 1 43 TYR H 2.200 . 6.000 5.108 5.108 5.108 . 0 0 "[ ]" 1
563 1 40 LYS QG 1 41 THR H 3.900 . 6.000 3.046 3.046 3.046 . 0 0 "[ ]" 1
564 1 40 LYS QG 1 41 THR HB 3.900 . 6.000 4.852 4.852 4.852 . 0 0 "[ ]" 1
565 1 41 THR H 1 41 THR HA 2.600 . 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 1
566 1 41 THR H 1 42 GLY H 2.100 . 2.500 2.247 2.247 2.247 . 0 0 "[ ]" 1
567 1 41 THR H 1 43 TYR H 3.400 . 5.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
568 1 41 THR HA 1 41 THR MG 2.100 . 3.500 1.999 1.999 1.999 . 0 0 "[ ]" 1
569 1 41 THR HA 1 42 GLY H 2.600 . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
570 1 41 THR HB 1 43 TYR H 2.600 . 3.500 2.589 2.589 2.589 . 0 0 "[ ]" 1
571 1 41 THR MG 1 42 GLY H 3.900 . 6.000 4.295 4.295 4.295 . 0 0 "[ ]" 1
572 1 41 THR MG 1 43 TYR H 3.900 . 6.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
573 1 42 GLY H 1 43 TYR H 2.600 . 3.500 2.373 2.373 2.373 . 0 0 "[ ]" 1
574 1 42 GLY QA 1 43 TYR H 3.900 . 6.000 2.921 2.921 2.921 . 0 0 "[ ]" 1
575 1 43 TYR H 1 43 TYR QD 4.400 . 7.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
576 1 43 TYR H 1 44 SER H 3.400 . 5.000 4.355 4.355 4.355 . 0 0 "[ ]" 1
577 1 43 TYR HA 1 44 SER H 2.100 . 2.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
578 1 43 TYR QB 1 44 SER H 3.100 . 4.500 3.872 3.872 3.872 . 0 0 "[ ]" 1
579 1 43 TYR QD 1 44 SER H 4.400 . 7.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
580 1 44 SER H 1 45 TYR H 3.400 . 5.000 4.637 4.637 4.637 . 0 0 "[ ]" 1
581 1 44 SER HA 1 45 TYR H 2.600 . 3.500 2.357 2.357 2.357 . 0 0 "[ ]" 1
582 1 44 SER QB 1 45 TYR H 3.900 . 6.000 2.796 2.796 2.796 . 0 0 "[ ]" 1
583 1 44 SER QB 1 45 TYR HA 3.100 . 6.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
584 1 44 SER QB 1 46 GLY QA 4.400 . 7.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
585 1 45 TYR H 1 45 TYR HB3 2.600 . 3.500 3.387 3.387 3.387 . 0 0 "[ ]" 1
586 1 45 TYR H 1 45 TYR QD 4.400 . 7.000 2.588 2.588 2.588 . 0 0 "[ ]" 1
587 1 45 TYR H 1 46 GLY H 2.600 . 3.500 2.012 2.012 2.012 . 0 0 "[ ]" 1
588 1 45 TYR HA 1 46 GLY H 3.400 . 5.000 3.279 3.279 3.279 . 0 0 "[ ]" 1
589 1 45 TYR HB2 1 45 TYR QD 3.100 . 4.500 2.706 2.706 2.706 . 0 0 "[ ]" 1
590 1 45 TYR HB3 1 45 TYR QD 3.100 . 4.500 2.299 2.299 2.299 . 0 0 "[ ]" 1
591 1 45 TYR QD 1 47 TYR H 4.400 . 7.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
592 1 45 TYR QE 1 47 TYR H 4.400 . 7.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
593 1 45 TYR QE 1 47 TYR HB3 4.400 . 7.000 1.859 1.859 1.859 . 0 0 "[ ]" 1
594 1 46 GLY H 1 47 TYR H 2.600 . 3.500 3.210 3.210 3.210 . 0 0 "[ ]" 1
595 1 46 GLY H 1 47 TYR QD 4.400 . 7.000 5.647 5.647 5.647 . 0 0 "[ ]" 1
596 1 46 GLY QA 1 47 TYR H 3.900 . 6.000 2.249 2.249 2.249 . 0 0 "[ ]" 1
597 1 46 GLY QA 1 47 TYR HB2 3.900 . 6.000 4.260 4.260 4.260 . 0 0 "[ ]" 1
598 1 46 GLY QA 1 47 TYR QD 4.900 . 8.000 5.395 5.395 5.395 . 0 0 "[ ]" 1
599 1 47 TYR H 1 47 TYR HA 2.600 . 3.500 2.741 2.741 2.741 . 0 0 "[ ]" 1
600 1 47 TYR H 1 47 TYR QD 4.400 . 5.500 4.455 4.455 4.455 . 0 0 "[ ]" 1
601 1 47 TYR H 1 48 ALA H 2.600 . 5.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
602 1 47 TYR H 1 48 ALA MB 3.900 . 6.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
603 1 47 TYR HA 1 47 TYR HB2 2.600 . 3.500 2.341 2.341 2.341 . 0 0 "[ ]" 1
604 1 47 TYR HA 1 47 TYR QD 3.100 . 4.500 2.862 2.862 2.862 . 0 0 "[ ]" 1
605 1 47 TYR HA 1 48 ALA H 2.100 . 3.500 2.198 2.198 2.198 . 0 0 "[ ]" 1
606 1 47 TYR HB2 1 47 TYR QD 2.600 . 3.500 2.468 2.468 2.468 . 0 0 "[ ]" 1
607 1 47 TYR HB2 1 47 TYR QE 3.100 . 4.500 4.439 4.439 4.439 . 0 0 "[ ]" 1
608 1 47 TYR HB3 1 47 TYR QD 2.600 . 3.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
609 1 47 TYR HB3 1 48 ALA H 2.600 . 4.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
610 1 47 TYR QD 1 48 ALA H 3.600 . 5.500 3.355 3.355 3.355 . 0 0 "[ ]" 1
611 1 47 TYR QD 1 49 PHE QE 4.700 . 7.500 5.146 5.146 5.146 . 0 0 "[ ]" 1
612 1 47 TYR QE 1 49 PHE QE 4.200 . 6.500 3.333 3.333 3.333 . 0 0 "[ ]" 1
613 1 48 ALA H 1 48 ALA MB 2.500 . 3.100 2.568 2.568 2.568 . 0 0 "[ ]" 1
614 1 48 ALA HA 1 49 PHE H 2.600 . 3.500 2.649 2.649 2.649 . 0 0 "[ ]" 1
615 1 48 ALA MB 1 49 PHE H 2.600 . 5.000 1.992 1.992 1.992 . 0 0 "[ ]" 1
616 1 48 ALA MB 1 50 VAL MG2 3.600 . 5.500 3.242 3.242 3.242 . 0 0 "[ ]" 1
617 1 49 PHE H 1 49 PHE HA 2.600 . 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
618 1 49 PHE H 1 49 PHE HB2 2.600 . 3.500 2.452 2.452 2.452 . 0 0 "[ ]" 1
619 1 49 PHE H 1 50 VAL MG2 3.900 . 6.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
620 1 49 PHE HA 1 49 PHE HB3 2.600 . 3.500 2.614 2.614 2.614 . 0 0 "[ ]" 1
621 1 49 PHE HA 1 49 PHE QD 3.100 . 4.500 2.019 2.019 2.019 . 0 0 "[ ]" 1
622 1 49 PHE HA 1 50 VAL H 2.100 . 2.500 2.185 2.185 2.185 . 0 0 "[ ]" 1
623 1 49 PHE HA 1 50 VAL MG2 3.900 . 6.000 4.049 4.049 4.049 . 0 0 "[ ]" 1
624 1 49 PHE HB3 1 50 VAL H 2.600 . 3.500 3.446 3.446 3.446 . 0 0 "[ ]" 1
625 1 49 PHE HB3 1 50 VAL HA 3.400 . 5.000 4.292 4.292 4.292 . 0 0 "[ ]" 1
626 1 49 PHE QD 1 80 ALA MB 4.200 . 6.500 3.381 3.381 3.381 . 0 0 "[ ]" 1
627 1 49 PHE QE 1 80 ALA HA 4.400 . 7.000 3.164 3.164 3.164 . 0 0 "[ ]" 1
628 1 49 PHE QE 1 80 ALA MB 3.600 . 5.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
629 1 50 VAL H 1 50 VAL HA 2.600 . 3.500 2.982 2.982 2.982 . 0 0 "[ ]" 1
630 1 50 VAL H 1 50 VAL HB 2.600 . 3.500 2.681 2.681 2.681 . 0 0 "[ ]" 1
631 1 50 VAL H 1 50 VAL MG2 3.100 . 4.500 3.164 3.164 3.164 . 0 0 "[ ]" 1
632 1 50 VAL HA 1 50 VAL MG1 2.900 . 4.000 2.411 2.411 2.411 . 0 0 "[ ]" 1
633 1 50 VAL HA 1 50 VAL MG2 2.900 . 4.000 2.176 2.176 2.176 . 0 0 "[ ]" 1
634 1 50 VAL HA 1 51 ASP H 2.100 . 2.500 2.217 2.217 2.217 . 0 0 "[ ]" 1
635 1 50 VAL MG1 1 51 ASP H 3.100 . 4.500 3.075 3.075 3.075 . 0 0 "[ ]" 1
636 1 50 VAL MG1 1 51 ASP HA 3.900 . 6.000 3.898 3.898 3.898 . 0 0 "[ ]" 1
637 1 51 ASP H 1 51 ASP HA 2.600 . 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 1
638 1 51 ASP H 1 51 ASP HB2 2.600 . 3.500 2.795 2.795 2.795 . 0 0 "[ ]" 1
639 1 51 ASP H 1 51 ASP HB3 2.600 . 3.500 2.518 2.518 2.518 . 0 0 "[ ]" 1
640 1 51 ASP H 1 52 PHE H 3.400 . 5.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
641 1 51 ASP H 1 53 THR H 3.400 . 5.500 5.561 5.561 5.561 0.061 1 0 "[ ]" 1
642 1 51 ASP HA 1 51 ASP HB2 2.600 . 3.500 2.473 2.473 2.473 . 0 0 "[ ]" 1
643 1 51 ASP HA 1 52 PHE H 2.100 . 2.500 2.240 2.240 2.240 . 0 0 "[ ]" 1
644 1 51 ASP HA 1 52 PHE QD 4.400 . 7.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
645 1 52 PHE H 1 52 PHE HA 2.600 . 3.500 2.986 2.986 2.986 . 0 0 "[ ]" 1
646 1 52 PHE H 1 52 PHE HB2 2.600 . 3.500 2.373 2.373 2.373 . 0 0 "[ ]" 1
647 1 52 PHE H 1 53 THR H 2.600 . 3.500 2.091 2.091 2.091 . 0 0 "[ ]" 1
648 1 52 PHE HA 1 52 PHE HB3 2.600 . 3.500 2.617 2.617 2.617 . 0 0 "[ ]" 1
649 1 52 PHE HA 1 52 PHE QD 3.100 . 4.500 2.320 2.320 2.320 . 0 0 "[ ]" 1
650 1 52 PHE HA 1 53 THR H 2.600 . 3.500 3.397 3.397 3.397 . 0 0 "[ ]" 1
651 1 52 PHE HB2 1 53 THR H 2.600 . 3.500 3.331 3.331 3.331 . 0 0 "[ ]" 1
652 1 52 PHE HB2 1 54 SER H 2.600 . 3.500 2.922 2.922 2.922 . 0 0 "[ ]" 1
653 1 52 PHE HB2 1 59 GLN H 3.400 . 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 1
654 1 52 PHE HB3 1 52 PHE QD 3.100 . 4.500 2.618 2.618 2.618 . 0 0 "[ ]" 1
655 1 52 PHE HB3 1 53 THR H 3.400 . 5.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
656 1 52 PHE HB3 1 58 SER H 3.400 . 5.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
657 1 52 PHE QD 1 58 SER HA 3.600 . 5.500 3.341 3.341 3.341 . 0 0 "[ ]" 1
658 1 52 PHE QD 1 58 SER QB 4.200 . 6.500 1.826 1.826 1.826 . 0 0 "[ ]" 1
659 1 52 PHE QD 1 61 ALA H 4.400 . 7.000 5.707 5.707 5.707 . 0 0 "[ ]" 1
660 1 52 PHE QD 1 62 ILE MD 4.200 . 6.500 3.442 3.442 3.442 . 0 0 "[ ]" 1
661 1 52 PHE QE 1 61 ALA H 4.400 . 7.000 5.467 5.467 5.467 . 0 0 "[ ]" 1
662 1 52 PHE QE 1 61 ALA MB 3.600 . 5.500 3.048 3.048 3.048 . 0 0 "[ ]" 1
663 1 52 PHE QE 1 65 LEU MD1 4.900 . 8.000 3.209 3.209 3.209 . 0 0 "[ ]" 1
664 1 52 PHE HZ 1 61 ALA MB 3.100 . 4.500 3.132 3.132 3.132 . 0 0 "[ ]" 1
665 1 52 PHE HZ 1 65 LEU HB3 2.600 . 5.000 5.075 5.075 5.075 0.075 1 0 "[ ]" 1
666 1 52 PHE HZ 1 65 LEU MD1 3.900 . 6.000 2.190 2.190 2.190 . 0 0 "[ ]" 1
667 1 53 THR H 1 53 THR HA 2.600 . 3.500 2.340 2.340 2.340 . 0 0 "[ ]" 1
668 1 53 THR H 1 53 THR MG 3.100 . 4.500 3.417 3.417 3.417 . 0 0 "[ ]" 1
669 1 53 THR H 1 54 SER H 2.600 . 3.500 2.774 2.774 2.774 . 0 0 "[ ]" 1
670 1 53 THR H 1 55 GLU QB 3.900 . 7.000 5.415 5.415 5.415 . 0 0 "[ ]" 1
671 1 53 THR HA 1 54 SER H 2.600 . 5.000 3.017 3.017 3.017 . 0 0 "[ ]" 1
672 1 53 THR MG 1 54 SER H 3.900 . 6.000 3.406 3.406 3.406 . 0 0 "[ ]" 1
673 1 54 SER H 1 54 SER HB2 2.600 . 3.500 2.622 2.622 2.622 . 0 0 "[ ]" 1
674 1 54 SER H 1 55 GLU H 3.400 . 5.000 2.041 2.041 2.041 . 0 0 "[ ]" 1
675 1 54 SER HA 1 54 SER HB3 2.600 . 3.500 2.430 2.430 2.430 . 0 0 "[ ]" 1
676 1 54 SER HA 1 55 GLU H 2.600 . 3.500 3.536 3.536 3.536 0.036 1 0 "[ ]" 1
677 1 54 SER HA 1 56 MET H 3.400 . 5.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
678 1 54 SER HB2 1 55 GLU H 2.600 . 3.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
679 1 54 SER HB2 1 57 ASP H 2.500 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
680 1 54 SER HB3 1 55 GLU H 3.400 . 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
681 1 54 SER HB3 1 56 MET H 3.400 . 5.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
682 1 55 GLU H 1 55 GLU HA 2.600 . 3.500 2.339 2.339 2.339 . 0 0 "[ ]" 1
683 1 55 GLU H 1 56 MET H 2.600 . 3.500 2.646 2.646 2.646 . 0 0 "[ ]" 1
684 1 55 GLU H 1 57 ASP H 3.400 . 5.000 5.045 5.045 5.045 0.045 1 0 "[ ]" 1
685 1 55 GLU H 1 58 SER H 3.400 . 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
686 1 55 GLU HA 1 56 MET H 2.600 . 3.500 3.124 3.124 3.124 . 0 0 "[ ]" 1
687 1 55 GLU QB 1 56 MET H 3.900 . 6.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
688 1 56 MET H 1 56 MET HA 2.600 . 3.500 2.955 2.955 2.955 . 0 0 "[ ]" 1
689 1 56 MET H 1 57 ASP H 2.600 . 3.500 2.703 2.703 2.703 . 0 0 "[ ]" 1
690 1 56 MET H 1 59 GLN H 3.400 . 5.000 3.173 3.173 3.173 . 0 0 "[ ]" 1
691 1 56 MET HA 1 59 GLN HB2 2.600 . 3.500 3.513 3.513 3.513 0.013 1 0 "[ ]" 1
692 1 56 MET HA 1 59 GLN HG3 3.900 . 5.000 2.333 2.333 2.333 . 0 0 "[ ]" 1
693 1 56 MET QB 1 57 ASP H 3.100 . 4.500 2.003 2.003 2.003 . 0 0 "[ ]" 1
694 1 56 MET QB 1 58 SER H 3.900 . 6.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
695 1 56 MET O 1 60 ARG H 2.000 . 2.200 2.294 2.294 2.294 0.094 1 0 "[ ]" 1
696 1 56 MET O 1 60 ARG N 2.500 . 3.300 3.243 3.243 3.243 . 0 0 "[ ]" 1
697 1 57 ASP H 1 57 ASP HA 2.600 . 3.500 2.845 2.845 2.845 . 0 0 "[ ]" 1
698 1 57 ASP H 1 57 ASP HB2 2.600 . 3.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
699 1 57 ASP H 1 58 SER H 2.600 . 3.500 2.593 2.593 2.593 . 0 0 "[ ]" 1
700 1 57 ASP HA 1 58 SER H 2.600 . 3.500 3.499 3.499 3.499 . 0 0 "[ ]" 1
701 1 57 ASP HA 1 60 ARG QB 3.100 . 4.500 2.875 2.875 2.875 . 0 0 "[ ]" 1
702 1 57 ASP HA 1 60 ARG QD 3.900 . 6.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
703 1 57 ASP QB 1 58 SER H 3.100 . 4.500 2.676 2.676 2.676 . 0 0 "[ ]" 1
704 1 57 ASP HB2 1 58 SER HA 2.600 . 5.000 4.535 4.535 4.535 . 0 0 "[ ]" 1
705 1 57 ASP HB3 1 58 SER H 2.600 . 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 1
706 1 57 ASP O 1 61 ALA H 2.000 . 2.200 2.100 2.100 2.100 . 0 0 "[ ]" 1
707 1 57 ASP O 1 61 ALA N 2.500 . 3.300 3.047 3.047 3.047 . 0 0 "[ ]" 1
708 1 58 SER H 1 58 SER HA 2.600 . 3.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
709 1 58 SER H 1 58 SER QB 2.900 . 4.000 2.364 2.364 2.364 . 0 0 "[ ]" 1
710 1 58 SER HA 1 58 SER QB 2.600 . 3.500 2.198 2.198 2.198 . 0 0 "[ ]" 1
711 1 58 SER HA 1 61 ALA H 2.600 . 3.500 3.302 3.302 3.302 . 0 0 "[ ]" 1
712 1 58 SER HA 1 61 ALA MB 3.100 . 4.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
713 1 58 SER HA 1 62 ILE QG 2.200 . 6.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
714 1 58 SER QB 1 62 ILE MD 4.400 . 7.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
715 1 58 SER O 1 62 ILE H 2.000 . 2.200 2.045 2.045 2.045 . 0 0 "[ ]" 1
716 1 58 SER O 1 62 ILE N 2.500 . 3.300 2.730 2.730 2.730 . 0 0 "[ ]" 1
717 1 59 GLN H 1 59 GLN HA 2.600 . 3.500 2.790 2.790 2.790 . 0 0 "[ ]" 1
718 1 59 GLN H 1 59 GLN HB2 2.500 . 3.100 2.838 2.838 2.838 . 0 0 "[ ]" 1
719 1 59 GLN H 1 60 ARG QB 3.900 . 6.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
720 1 59 GLN H 1 61 ALA MB 3.900 . 6.000 4.867 4.867 4.867 . 0 0 "[ ]" 1
721 1 59 GLN H 1 62 ILE MD 3.900 . 6.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
722 1 59 GLN H 1 62 ILE QG 3.900 . 6.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
723 1 59 GLN HA 1 62 ILE H 2.600 . 3.500 3.252 3.252 3.252 . 0 0 "[ ]" 1
724 1 59 GLN HA 1 62 ILE MD 3.100 . 4.500 2.068 2.068 2.068 . 0 0 "[ ]" 1
725 1 59 GLN HA 1 62 ILE QG 3.100 . 4.500 2.967 2.967 2.967 . 0 0 "[ ]" 1
726 1 59 GLN HA 1 62 ILE MG 3.100 . 4.500 3.502 3.502 3.502 . 0 0 "[ ]" 1
727 1 59 GLN HB2 1 60 ARG H 2.600 . 3.500 2.523 2.523 2.523 . 0 0 "[ ]" 1
728 1 59 GLN HB2 1 61 ALA H 3.400 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
729 1 59 GLN HB3 1 60 ARG H 2.600 . 5.000 3.811 3.811 3.811 . 0 0 "[ ]" 1
730 1 59 GLN HB3 1 62 ILE QG 3.100 . 6.000 5.125 5.125 5.125 . 0 0 "[ ]" 1
731 1 59 GLN HB3 1 62 ILE MG 3.100 . 5.500 4.505 4.505 4.505 . 0 0 "[ ]" 1
732 1 59 GLN HE22 1 59 GLN QG 3.100 . 4.500 3.513 3.513 3.513 . 0 0 "[ ]" 1
733 1 59 GLN QG 1 62 ILE QG 4.400 . 7.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
734 1 59 GLN HG2 1 62 ILE HB 3.900 . 6.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
735 1 59 GLN HG2 1 79 TYR QE 4.900 . 7.000 3.419 3.419 3.419 . 0 0 "[ ]" 1
736 1 59 GLN HG3 1 60 ARG H 3.900 . 5.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
737 1 59 GLN O 1 63 LYS H 2.000 . 2.200 2.225 2.225 2.225 0.025 1 0 "[ ]" 1
738 1 59 GLN O 1 63 LYS N 2.500 . 3.300 3.057 3.057 3.057 . 0 0 "[ ]" 1
739 1 60 ARG H 1 60 ARG HA 2.600 . 3.500 2.860 2.860 2.860 . 0 0 "[ ]" 1
740 1 60 ARG H 1 61 ALA H 2.600 . 3.500 2.703 2.703 2.703 . 0 0 "[ ]" 1
741 1 60 ARG H 1 63 LYS H 3.400 . 5.000 4.877 4.877 4.877 . 0 0 "[ ]" 1
742 1 60 ARG HA 1 61 ALA H 2.600 . 3.500 3.546 3.546 3.546 0.046 1 0 "[ ]" 1
743 1 60 ARG QB 1 61 ALA H 2.600 . 3.500 2.424 2.424 2.424 . 0 0 "[ ]" 1
744 1 60 ARG O 1 64 VAL H 2.000 . 2.200 2.282 2.282 2.282 0.082 1 0 "[ ]" 1
745 1 60 ARG O 1 64 VAL N 2.500 . 3.300 3.123 3.123 3.123 . 0 0 "[ ]" 1
746 1 61 ALA H 1 61 ALA HA 2.600 . 3.500 2.869 2.869 2.869 . 0 0 "[ ]" 1
747 1 61 ALA H 1 61 ALA MB 2.500 . 3.100 2.237 2.237 2.237 . 0 0 "[ ]" 1
748 1 61 ALA H 1 62 ILE H 2.600 . 3.500 2.573 2.573 2.573 . 0 0 "[ ]" 1
749 1 61 ALA H 1 63 LYS H 3.400 . 5.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
750 1 61 ALA H 1 64 VAL MG2 3.900 . 6.000 4.656 4.656 4.656 . 0 0 "[ ]" 1
751 1 61 ALA HA 1 62 ILE H 3.400 . 5.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
752 1 61 ALA HA 1 64 VAL H 2.600 . 3.500 3.253 3.253 3.253 . 0 0 "[ ]" 1
753 1 61 ALA HA 1 64 VAL MG1 3.900 . 6.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
754 1 61 ALA HA 1 64 VAL MG2 3.100 . 4.500 3.081 3.081 3.081 . 0 0 "[ ]" 1
755 1 61 ALA HA 1 65 LEU H 2.600 . 3.500 3.106 3.106 3.106 . 0 0 "[ ]" 1
756 1 61 ALA MB 1 62 ILE H 3.100 . 4.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
757 1 61 ALA O 1 65 LEU H 2.000 . 2.200 2.131 2.131 2.131 . 0 0 "[ ]" 1
758 1 61 ALA O 1 65 LEU N 2.500 . 3.300 2.803 2.803 2.803 . 0 0 "[ ]" 1
759 1 62 ILE H 1 62 ILE HA 2.600 . 3.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
760 1 62 ILE H 1 62 ILE HB 2.100 . 3.500 2.252 2.252 2.252 . 0 0 "[ ]" 1
761 1 62 ILE H 1 63 LYS H 2.600 . 3.500 2.413 2.413 2.413 . 0 0 "[ ]" 1
762 1 62 ILE H 1 63 LYS QB 3.900 . 6.000 4.262 4.262 4.262 . 0 0 "[ ]" 1
763 1 62 ILE HA 1 63 LYS H 2.600 . 3.500 3.527 3.527 3.527 0.027 1 0 "[ ]" 1
764 1 62 ILE HA 1 65 LEU H 3.400 . 5.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
765 1 62 ILE HA 1 65 LEU HB2 2.600 . 3.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
766 1 62 ILE HA 1 65 LEU HB3 2.600 . 5.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
767 1 62 ILE HA 1 66 ASN H 2.600 . 5.000 3.629 3.629 3.629 . 0 0 "[ ]" 1
768 1 62 ILE HA 1 77 VAL MG2 2.600 . 3.500 2.416 2.416 2.416 . 0 0 "[ ]" 1
769 1 62 ILE HB 1 62 ILE MD 2.600 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
770 1 62 ILE HB 1 63 LYS H 2.600 . 3.500 2.859 2.859 2.859 . 0 0 "[ ]" 1
771 1 62 ILE MD 1 62 ILE MG 3.100 . 4.500 1.831 1.831 1.831 . 0 0 "[ ]" 1
772 1 62 ILE MD 1 79 TYR H 3.100 . 4.500 3.542 3.542 3.542 . 0 0 "[ ]" 1
773 1 62 ILE MD 1 79 TYR QD 4.200 . 6.500 2.008 2.008 2.008 . 0 0 "[ ]" 1
774 1 62 ILE MD 1 79 TYR QE 4.200 . 6.500 2.010 2.010 2.010 . 0 0 "[ ]" 1
775 1 62 ILE QG 1 63 LYS H 3.100 . 6.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
776 1 62 ILE QG 1 77 VAL MG2 2.500 . 5.500 1.988 1.988 1.988 . 0 0 "[ ]" 1
777 1 62 ILE QG 1 79 TYR QD 4.900 . 7.900 4.118 4.118 4.118 . 0 0 "[ ]" 1
778 1 62 ILE QG 1 79 TYR QE 4.900 . 7.900 3.931 3.931 3.931 . 0 0 "[ ]" 1
779 1 62 ILE MG 1 78 SER HA 3.900 . 6.000 2.759 2.759 2.759 . 0 0 "[ ]" 1
780 1 62 ILE MG 1 78 SER QB 4.400 . 7.000 4.473 4.473 4.473 . 0 0 "[ ]" 1
781 1 62 ILE MG 1 79 TYR HB3 3.900 . 6.000 4.770 4.770 4.770 . 0 0 "[ ]" 1
782 1 62 ILE MG 1 79 TYR QE 4.900 . 8.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
783 1 63 LYS H 1 64 VAL H 2.600 . 3.500 2.390 2.390 2.390 . 0 0 "[ ]" 1
784 1 63 LYS H 1 64 VAL MG2 3.900 . 6.000 3.995 3.995 3.995 . 0 0 "[ ]" 1
785 1 63 LYS H 1 65 LEU H 3.400 . 5.000 4.766 4.766 4.766 . 0 0 "[ ]" 1
786 1 63 LYS H 1 79 TYR QE 4.400 . 7.000 4.961 4.961 4.961 . 0 0 "[ ]" 1
787 1 63 LYS QB 1 64 VAL H 3.100 . 4.500 2.905 2.905 2.905 . 0 0 "[ ]" 1
788 1 63 LYS QG 1 64 VAL H 3.100 . 4.500 3.848 3.848 3.848 . 0 0 "[ ]" 1
789 1 64 VAL H 1 64 VAL HA 2.600 . 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
790 1 64 VAL H 1 64 VAL HB 2.100 . 2.500 2.476 2.476 2.476 . 0 0 "[ ]" 1
791 1 64 VAL H 1 64 VAL MG2 2.600 . 3.500 2.571 2.571 2.571 . 0 0 "[ ]" 1
792 1 64 VAL H 1 65 LEU H 2.600 . 3.500 2.794 2.794 2.794 . 0 0 "[ ]" 1
793 1 64 VAL H 1 65 LEU HG 2.200 . 5.000 4.885 4.885 4.885 . 0 0 "[ ]" 1
794 1 64 VAL HA 1 64 VAL MG1 2.500 . 3.100 2.288 2.288 2.288 . 0 0 "[ ]" 1
795 1 64 VAL HA 1 64 VAL MG2 2.500 . 3.100 2.262 2.262 2.262 . 0 0 "[ ]" 1
796 1 64 VAL HA 1 65 LEU H 2.600 . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
797 1 64 VAL MG1 1 65 LEU H 3.100 . 4.500 2.679 2.679 2.679 . 0 0 "[ ]" 1
798 1 64 VAL MG2 1 65 LEU H 3.100 . 4.500 3.604 3.604 3.604 . 0 0 "[ ]" 1
799 1 65 LEU H 1 65 LEU HA 2.600 . 3.500 2.740 2.740 2.740 . 0 0 "[ ]" 1
800 1 65 LEU H 1 65 LEU HB2 2.100 . 2.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
801 1 65 LEU H 1 65 LEU MD2 3.100 . 4.500 3.235 3.235 3.235 . 0 0 "[ ]" 1
802 1 65 LEU H 1 65 LEU HG 2.600 . 3.500 2.371 2.371 2.371 . 0 0 "[ ]" 1
803 1 65 LEU H 1 66 ASN H 2.600 . 3.500 2.968 2.968 2.968 . 0 0 "[ ]" 1
804 1 65 LEU HA 1 65 LEU HB3 2.600 . 3.500 2.597 2.597 2.597 . 0 0 "[ ]" 1
805 1 65 LEU HA 1 65 LEU MD2 2.600 . 3.500 1.799 1.799 1.799 0.001 1 0 "[ ]" 1
806 1 65 LEU HA 1 66 ASN H 3.400 . 5.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
807 1 65 LEU HA 1 68 ILE H 3.400 . 5.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
808 1 65 LEU HA 1 68 ILE MD 3.100 . 4.500 3.639 3.639 3.639 . 0 0 "[ ]" 1
809 1 65 LEU HA 1 68 ILE QG 2.600 . 4.500 3.805 3.805 3.805 . 0 0 "[ ]" 1
810 1 65 LEU HA 1 68 ILE MG 3.100 . 4.500 1.733 1.733 1.733 0.067 1 0 "[ ]" 1
811 1 65 LEU HB2 1 65 LEU MD1 2.600 . 3.500 2.471 2.471 2.471 . 0 0 "[ ]" 1
812 1 65 LEU HB3 1 65 LEU MD1 2.600 . 3.500 2.147 2.147 2.147 . 0 0 "[ ]" 1
813 1 65 LEU MD1 1 68 ILE MD 3.600 . 5.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
814 1 65 LEU MD1 1 68 ILE MG 3.600 . 5.500 3.755 3.755 3.755 . 0 0 "[ ]" 1
815 1 65 LEU MD1 1 77 VAL QG 3.900 . 6.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
816 1 65 LEU MD2 1 68 ILE H 3.900 . 6.000 4.652 4.652 4.652 . 0 0 "[ ]" 1
817 1 65 LEU HG 1 68 ILE MG 2.200 . 6.000 3.860 3.860 3.860 . 0 0 "[ ]" 1
818 1 66 ASN H 1 66 ASN HA 2.600 . 3.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
819 1 66 ASN H 1 77 VAL H 3.400 . 5.000 4.851 4.851 4.851 . 0 0 "[ ]" 1
820 1 66 ASN H 1 77 VAL MG1 3.900 . 6.000 1.946 1.946 1.946 . 0 0 "[ ]" 1
821 1 66 ASN HA 1 67 GLY H 2.100 . 2.500 2.247 2.247 2.247 . 0 0 "[ ]" 1
822 1 66 ASN HA 1 68 ILE H 3.400 . 5.000 4.658 4.658 4.658 . 0 0 "[ ]" 1
823 1 66 ASN HA 1 75 LEU HB3 3.400 . 5.500 5.534 5.534 5.534 0.034 1 0 "[ ]" 1
824 1 66 ASN HA 1 76 LYS HA 3.400 . 5.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
825 1 66 ASN HA 1 77 VAL H 2.600 . 3.500 2.426 2.426 2.426 . 0 0 "[ ]" 1
826 1 66 ASN HA 1 77 VAL HB 2.600 . 3.500 3.049 3.049 3.049 . 0 0 "[ ]" 1
827 1 66 ASN HA 1 77 VAL QG 4.600 . 7.400 1.846 1.846 1.846 . 0 0 "[ ]" 1
828 1 66 ASN QB 1 67 GLY H 3.100 . 4.500 4.001 4.001 4.001 . 0 0 "[ ]" 1
829 1 66 ASN HD22 1 76 LYS HA 3.400 . 5.000 4.826 4.826 4.826 . 0 0 "[ ]" 1
830 1 67 GLY H 1 68 ILE H 2.600 . 3.500 2.737 2.737 2.737 . 0 0 "[ ]" 1
831 1 67 GLY H 1 76 LYS HA 2.600 . 3.500 2.069 2.069 2.069 . 0 0 "[ ]" 1
832 1 67 GLY H 1 76 LYS HB3 3.400 . 5.000 5.052 5.052 5.052 0.052 1 0 "[ ]" 1
833 1 67 GLY H 1 77 VAL MG1 3.900 . 6.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
834 1 67 GLY QA 1 68 ILE H 3.100 . 4.500 2.572 2.572 2.572 . 0 0 "[ ]" 1
835 1 67 GLY QA 1 76 LYS HA 3.900 . 6.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
836 1 68 ILE H 1 68 ILE MG 2.600 . 3.500 2.856 2.856 2.856 . 0 0 "[ ]" 1
837 1 68 ILE H 1 69 THR H 3.400 . 5.000 3.785 3.785 3.785 . 0 0 "[ ]" 1
838 1 68 ILE H 1 75 LEU H 2.100 . 3.500 3.162 3.162 3.162 . 0 0 "[ ]" 1
839 1 68 ILE HA 1 68 ILE HB 2.100 . 2.500 2.562 2.562 2.562 0.062 1 0 "[ ]" 1
840 1 68 ILE HA 1 69 THR H 2.100 . 3.500 3.358 3.358 3.358 . 0 0 "[ ]" 1
841 1 68 ILE HB 1 69 THR H 2.100 . 2.500 1.850 1.850 1.850 . 0 0 "[ ]" 1
842 1 68 ILE MD 1 69 THR H 3.100 . 4.500 2.764 2.764 2.764 . 0 0 "[ ]" 1
843 1 68 ILE QG 1 69 THR H 2.600 . 3.500 1.995 1.995 1.995 . 0 0 "[ ]" 1
844 1 68 ILE MG 1 69 THR H 3.100 . 4.500 3.531 3.531 3.531 . 0 0 "[ ]" 1
845 1 69 THR H 1 74 ARG HA 2.500 . 5.000 3.778 3.778 3.778 . 0 0 "[ ]" 1
846 1 69 THR HA 1 70 VAL H 2.100 . 2.500 2.199 2.199 2.199 . 0 0 "[ ]" 1
847 1 69 THR HA 1 74 ARG HA 2.100 . 2.500 2.124 2.124 2.124 . 0 0 "[ ]" 1
848 1 69 THR HA 1 75 LEU H 2.100 . 3.500 3.494 3.494 3.494 . 0 0 "[ ]" 1
849 1 69 THR MG 1 70 VAL H 3.100 . 4.500 2.597 2.597 2.597 . 0 0 "[ ]" 1
850 1 69 THR MG 1 70 VAL HA 3.900 . 6.000 3.982 3.982 3.982 . 0 0 "[ ]" 1
851 1 69 THR MG 1 71 ARG H 3.900 . 6.000 2.418 2.418 2.418 . 0 0 "[ ]" 1
852 1 69 THR MG 1 72 ASN H 2.500 . 3.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
853 1 69 THR MG 1 73 LYS H 2.500 . 5.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
854 1 70 VAL H 1 70 VAL HB 2.600 . 3.500 2.958 2.958 2.958 . 0 0 "[ ]" 1
855 1 70 VAL H 1 73 LYS H 2.100 . 2.500 2.518 2.518 2.518 0.018 1 0 "[ ]" 1
856 1 70 VAL H 1 73 LYS HB3 3.400 . 5.000 4.823 4.823 4.823 . 0 0 "[ ]" 1
857 1 70 VAL H 1 73 LYS QG 3.900 . 6.000 4.852 4.852 4.852 . 0 0 "[ ]" 1
858 1 70 VAL H 1 73 LYS O 2.000 . 2.200 2.095 2.095 2.095 . 0 0 "[ ]" 1
859 1 70 VAL H 1 74 ARG HA 2.100 . 3.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
860 1 70 VAL H 1 75 LEU H 2.400 . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 1
861 1 70 VAL H 1 75 LEU MD2 3.900 . 5.000 3.090 3.090 3.090 . 0 0 "[ ]" 1
862 1 70 VAL HA 1 70 VAL HB 2.100 . 2.500 2.449 2.449 2.449 . 0 0 "[ ]" 1
863 1 70 VAL HA 1 71 ARG H 2.100 . 3.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
864 1 70 VAL HA 1 72 ASN H 3.400 . 5.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
865 1 70 VAL QG 1 71 ARG H 3.900 . 6.000 3.435 3.435 3.435 . 0 0 "[ ]" 1
866 1 70 VAL QG 1 71 ARG QD 5.100 . 8.400 3.299 3.299 3.299 . 0 0 "[ ]" 1
867 1 70 VAL QG 1 71 ARG HE 2.200 . 3.500 2.001 2.001 2.001 . 0 0 "[ ]" 1
868 1 70 VAL QG 1 72 ASN H 4.600 . 7.400 2.653 2.653 2.653 . 0 0 "[ ]" 1
869 1 70 VAL QG 1 73 LYS H 2.100 . 3.500 1.698 1.698 1.698 0.102 1 0 "[ ]" 1
870 1 70 VAL QG 1 73 LYS HB3 3.900 . 6.000 3.202 3.202 3.202 . 0 0 "[ ]" 1
871 1 70 VAL MG1 1 75 LEU H 4.600 . 6.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
872 1 70 VAL N 1 73 LYS O 2.500 . 3.300 2.982 2.982 2.982 . 0 0 "[ ]" 1
873 1 71 ARG HA 1 72 ASN H 2.600 . 3.500 3.133 3.133 3.133 . 0 0 "[ ]" 1
874 1 71 ARG HA 1 73 LYS H 3.400 . 5.000 4.958 4.958 4.958 . 0 0 "[ ]" 1
875 1 71 ARG QB 1 72 ASN H 3.100 . 5.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
876 1 72 ASN H 1 73 LYS H 2.600 . 3.500 1.858 1.858 1.858 . 0 0 "[ ]" 1
877 1 72 ASN HA 1 73 LYS H 2.600 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
878 1 72 ASN QB 1 73 LYS H 3.900 . 6.000 2.807 2.807 2.807 . 0 0 "[ ]" 1
879 1 73 LYS HA 1 73 LYS HB3 2.600 . 3.500 2.459 2.459 2.459 . 0 0 "[ ]" 1
880 1 73 LYS HA 1 74 ARG H 2.100 . 3.500 2.931 2.931 2.931 . 0 0 "[ ]" 1
881 1 73 LYS HB3 1 74 ARG H 2.600 . 3.500 1.853 1.853 1.853 . 0 0 "[ ]" 1
882 1 74 ARG H 1 75 LEU H 2.100 . 5.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
883 1 74 ARG HA 1 75 LEU H 2.100 . 2.500 2.228 2.228 2.228 . 0 0 "[ ]" 1
884 1 75 LEU H 1 75 LEU HA 2.600 . 3.500 2.801 2.801 2.801 . 0 0 "[ ]" 1
885 1 75 LEU H 1 75 LEU HB2 2.600 . 3.500 2.392 2.392 2.392 . 0 0 "[ ]" 1
886 1 75 LEU H 1 75 LEU MD2 3.100 . 4.500 1.779 1.779 1.779 0.021 1 0 "[ ]" 1
887 1 75 LEU H 1 76 LYS H 2.100 . 5.000 4.669 4.669 4.669 . 0 0 "[ ]" 1
888 1 75 LEU HA 1 76 LYS H 2.100 . 3.500 2.447 2.447 2.447 . 0 0 "[ ]" 1
889 1 75 LEU HB3 1 76 LYS H 2.600 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
890 1 75 LEU MD1 1 76 LYS H 3.900 . 6.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
891 1 76 LYS HA 1 76 LYS HB3 2.600 . 3.500 3.007 3.007 3.007 . 0 0 "[ ]" 1
892 1 76 LYS HA 1 77 VAL H 2.100 . 2.500 2.463 2.463 2.463 . 0 0 "[ ]" 1
893 1 76 LYS HB3 1 77 VAL H 3.400 . 5.000 3.397 3.397 3.397 . 0 0 "[ ]" 1
894 1 77 VAL HA 1 78 SER H 3.400 . 5.000 2.172 2.172 2.172 . 0 0 "[ ]" 1
895 1 77 VAL HB 1 78 SER H 3.400 . 5.000 4.464 4.464 4.464 . 0 0 "[ ]" 1
896 1 77 VAL MG2 1 78 SER H 3.900 . 6.000 2.937 2.937 2.937 . 0 0 "[ ]" 1
897 1 78 SER H 1 78 SER HA 2.600 . 3.500 2.993 2.993 2.993 . 0 0 "[ ]" 1
898 1 78 SER HA 1 79 TYR H 2.600 . 3.500 2.502 2.502 2.502 . 0 0 "[ ]" 1
899 1 78 SER HA 1 79 TYR QD 4.400 . 7.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
900 1 78 SER HA 1 79 TYR QE 4.400 . 7.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
901 1 78 SER QB 1 79 TYR H 3.100 . 4.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
902 1 78 SER QB 1 79 TYR QE 4.900 . 8.000 5.288 5.288 5.288 . 0 0 "[ ]" 1
903 1 79 TYR H 1 79 TYR HB2 2.600 . 3.500 2.755 2.755 2.755 . 0 0 "[ ]" 1
904 1 79 TYR H 1 79 TYR QD 3.600 . 5.500 2.079 2.079 2.079 . 0 0 "[ ]" 1
905 1 79 TYR H 1 80 ALA H 3.400 . 5.000 3.294 3.294 3.294 . 0 0 "[ ]" 1
906 1 79 TYR HA 1 80 ALA H 3.400 . 5.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
907 1 79 TYR HB2 1 80 ALA H 3.400 . 5.000 4.232 4.232 4.232 . 0 0 "[ ]" 1
908 1 79 TYR HB3 1 80 ALA H 2.600 . 4.500 4.537 4.537 4.537 0.037 1 0 "[ ]" 1
909 1 80 ALA H 1 80 ALA HA 2.600 . 5.000 2.338 2.338 2.338 . 0 0 "[ ]" 1
910 1 80 ALA H 1 81 ARG H 2.600 . 3.500 3.151 3.151 3.151 . 0 0 "[ ]" 1
911 1 80 ALA HA 1 81 ARG H 2.100 . 2.500 2.501 2.501 2.501 0.001 1 0 "[ ]" 1
912 1 80 ALA HA 1 82 PRO QD 3.100 . 4.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
913 1 80 ALA MB 1 81 ARG H 3.100 . 4.500 3.718 3.718 3.718 . 0 0 "[ ]" 1
914 1 81 ARG H 1 81 ARG HA 2.600 . 3.500 2.939 2.939 2.939 . 0 0 "[ ]" 1
915 1 81 ARG H 1 81 ARG HB3 2.600 . 3.500 3.416 3.416 3.416 . 0 0 "[ ]" 1
916 1 81 ARG HA 1 82 PRO QD 3.100 . 4.500 2.286 2.286 2.286 . 0 0 "[ ]" 1
917 1 81 ARG HB2 1 82 PRO QD 3.900 . 6.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
918 1 81 ARG HB3 1 82 PRO QD 3.100 . 4.500 4.156 4.156 4.156 . 0 0 "[ ]" 1
919 1 82 PRO HA 1 83 GLY H 2.100 . 2.500 2.413 2.413 2.413 . 0 0 "[ ]" 1
920 1 82 PRO HA 1 83 GLY QA 3.900 . 6.000 4.119 4.119 4.119 . 0 0 "[ ]" 1
921 1 82 PRO QB 1 83 GLY H 3.100 . 4.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
922 1 82 PRO QD 1 83 GLY H 3.900 . 6.000 4.974 4.974 4.974 . 0 0 "[ ]" 1
923 1 82 PRO QD 1 86 SER H 3.900 . 6.000 2.512 2.512 2.512 . 0 0 "[ ]" 1
924 1 83 GLY H 1 84 GLY H 2.600 . 3.500 3.103 3.103 3.103 . 0 0 "[ ]" 1
925 1 83 GLY QA 1 84 GLY H 3.100 . 4.500 2.576 2.576 2.576 . 0 0 "[ ]" 1
926 1 84 GLY QA 1 85 GLU H 3.100 . 4.500 2.582 2.582 2.582 . 0 0 "[ ]" 1
927 1 85 GLU HA 1 86 SER H 2.100 . 2.500 2.275 2.275 2.275 . 0 0 "[ ]" 1
928 1 86 SER HA 1 87 ILE H 2.600 . 3.500 2.806 2.806 2.806 . 0 0 "[ ]" 1
929 1 87 ILE HA 1 88 LYS H 2.600 . 3.500 2.263 2.263 2.263 . 0 0 "[ ]" 1
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