NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378995 |
1hp8   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hp8
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 796
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 5.919
_Distance_constraint_stats_list.Viol_max 0.291
_Distance_constraint_stats_list.Viol_rms 0.0264
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0564
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.169 0.093 1 0 "[ ]"
1 2 PRO 0.000 0.000 . 0 "[ ]"
1 3 GLN 0.024 0.024 1 0 "[ ]"
1 4 LYS 0.052 0.052 1 0 "[ ]"
1 5 ASP 0.206 0.113 1 0 "[ ]"
1 6 PRO 0.000 0.000 . 0 "[ ]"
1 7 CYS 0.000 0.000 . 0 "[ ]"
1 8 GLN 0.070 0.070 1 0 "[ ]"
1 9 LYS 0.128 0.081 1 0 "[ ]"
1 10 GLN 0.190 0.081 1 0 "[ ]"
1 11 ALA 0.110 0.099 1 0 "[ ]"
1 12 CYS 0.342 0.152 1 0 "[ ]"
1 13 GLU 0.195 0.085 1 0 "[ ]"
1 14 ILE 0.595 0.177 1 0 "[ ]"
1 15 GLN 0.092 0.039 1 0 "[ ]"
1 16 LYS 0.284 0.212 1 0 "[ ]"
1 17 CYS 0.140 0.127 1 0 "[ ]"
1 18 LEU 0.485 0.201 1 0 "[ ]"
1 19 GLN 0.129 0.082 1 0 "[ ]"
1 20 ALA 0.061 0.040 1 0 "[ ]"
1 21 ASN 0.130 0.055 1 0 "[ ]"
1 22 SER 0.000 0.000 . 0 "[ ]"
1 23 TYR 0.267 0.212 1 0 "[ ]"
1 24 MET 0.302 0.200 1 0 "[ ]"
1 25 GLU 0.000 0.000 . 0 "[ ]"
1 26 SER 0.013 0.013 1 0 "[ ]"
1 27 LYS 0.107 0.093 1 0 "[ ]"
1 28 CYS 0.274 0.201 1 0 "[ ]"
1 29 GLN 0.097 0.073 1 0 "[ ]"
1 30 ALA 0.045 0.020 1 0 "[ ]"
1 31 VAL 0.105 0.066 1 0 "[ ]"
1 32 ILE 0.122 0.057 1 0 "[ ]"
1 33 GLN 0.162 0.057 1 0 "[ ]"
1 34 GLU 0.105 0.055 1 0 "[ ]"
1 35 LEU 0.256 0.137 1 0 "[ ]"
1 36 ARG 0.070 0.055 1 0 "[ ]"
1 37 LYS 0.110 0.058 1 0 "[ ]"
1 38 CYS 0.000 0.000 . 0 "[ ]"
1 39 CYS 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.217 0.109 1 0 "[ ]"
1 41 GLN 0.324 0.109 1 0 "[ ]"
1 42 TYR 0.208 0.107 1 0 "[ ]"
1 43 PRO 0.000 0.000 . 0 "[ ]"
1 44 LYS 0.027 0.027 1 0 "[ ]"
1 45 GLY 0.038 0.038 1 0 "[ ]"
1 46 ARG 0.133 0.068 1 0 "[ ]"
1 47 SER 0.204 0.096 1 0 "[ ]"
1 48 VAL 0.184 0.085 1 0 "[ ]"
1 49 VAL 0.038 0.024 1 0 "[ ]"
1 50 CYS 0.001 0.001 1 0 "[ ]"
1 51 SER 0.059 0.059 1 0 "[ ]"
1 52 GLY 0.000 0.000 . 0 "[ ]"
1 53 PHE 0.156 0.137 1 0 "[ ]"
1 54 GLU 0.082 0.064 1 0 "[ ]"
1 55 LYS 0.094 0.088 1 0 "[ ]"
1 56 GLU 0.012 0.012 1 0 "[ ]"
1 57 GLU 0.074 0.046 1 0 "[ ]"
1 58 GLU 0.172 0.092 1 0 "[ ]"
1 59 GLU 0.045 0.035 1 0 "[ ]"
1 60 ASN 0.071 0.036 1 0 "[ ]"
1 61 LEU 0.077 0.037 1 0 "[ ]"
1 62 THR 0.047 0.047 1 0 "[ ]"
1 63 ARG 0.021 0.021 1 0 "[ ]"
1 64 LYS 0.000 0.000 . 0 "[ ]"
1 65 SER 0.291 0.291 1 0 "[ ]"
1 66 ALA 0.415 0.291 1 0 "[ ]"
1 67 SER 0.132 0.093 1 0 "[ ]"
1 68 LYS 0.143 0.104 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 MET H1 1 1 MET HA . . 2.800 2.893 2.893 2.893 0.093 1 0 "[ ]" 1
2 1 1 MET H1 1 1 MET HB2 . . 3.600 3.676 3.676 3.676 0.076 1 0 "[ ]" 1
3 1 1 MET H1 1 1 MET QG . . 5.800 2.095 2.095 2.095 . 0 0 "[ ]" 1
4 1 1 MET HA 1 2 PRO QD . . 3.800 1.975 1.975 1.975 . 0 0 "[ ]" 1
5 1 1 MET HB3 1 2 PRO QD . . 4.800 3.865 3.865 3.865 . 0 0 "[ ]" 1
6 1 2 PRO HA 1 3 GLN H . . 2.800 2.579 2.579 2.579 . 0 0 "[ ]" 1
7 1 3 GLN H 1 3 GLN HA . . 2.800 2.824 2.824 2.824 0.024 1 0 "[ ]" 1
8 1 3 GLN H 1 3 GLN HB2 . . 3.600 2.471 2.471 2.471 . 0 0 "[ ]" 1
9 1 3 GLN H 1 3 GLN HB3 . . 3.600 3.600 3.600 3.600 . 1 0 "[ ]" 1
10 1 3 GLN H 1 3 GLN QG . . 4.800 2.206 2.206 2.206 . 0 0 "[ ]" 1
11 1 3 GLN HA 1 4 LYS H . . 3.600 3.583 3.583 3.583 . 0 0 "[ ]" 1
12 1 3 GLN HB2 1 4 LYS H . . 4.800 2.364 2.364 2.364 . 0 0 "[ ]" 1
13 1 3 GLN HB3 1 4 LYS H . . 4.800 3.377 3.377 3.377 . 0 0 "[ ]" 1
14 1 3 GLN QG 1 4 LYS H . . 5.800 3.998 3.998 3.998 . 0 0 "[ ]" 1
15 1 4 LYS H 1 4 LYS HA . . 2.800 2.852 2.852 2.852 0.052 1 0 "[ ]" 1
16 1 4 LYS H 1 4 LYS QB . . 3.800 2.780 2.780 2.780 . 0 0 "[ ]" 1
17 1 4 LYS H 1 4 LYS QD . . 5.800 4.727 4.727 4.727 . 0 0 "[ ]" 1
18 1 4 LYS H 1 5 ASP H . . 4.800 4.187 4.187 4.187 . 0 0 "[ ]" 1
19 1 4 LYS HA 1 5 ASP H . . 2.800 2.398 2.398 2.398 . 0 0 "[ ]" 1
20 1 4 LYS QB 1 5 ASP H . . 4.800 2.815 2.815 2.815 . 0 0 "[ ]" 1
21 1 4 LYS QG 1 5 ASP H . . 5.800 3.917 3.917 3.917 . 0 0 "[ ]" 1
22 1 5 ASP H 1 5 ASP HA . . 2.800 2.913 2.913 2.913 0.113 1 0 "[ ]" 1
23 1 5 ASP H 1 5 ASP HB2 . . 3.600 3.214 3.214 3.214 . 0 0 "[ ]" 1
24 1 5 ASP H 1 5 ASP HB3 . . 3.600 2.895 2.895 2.895 . 0 0 "[ ]" 1
25 1 5 ASP H 1 6 PRO QD . . 5.800 3.623 3.623 3.623 . 0 0 "[ ]" 1
26 1 5 ASP H 1 8 GLN HB3 . . 4.800 4.313 4.313 4.313 . 0 0 "[ ]" 1
27 1 5 ASP HA 1 6 PRO QD . . 3.800 2.011 2.011 2.011 . 0 0 "[ ]" 1
28 1 5 ASP HA 1 6 PRO QG . . 5.800 3.940 3.940 3.940 . 0 0 "[ ]" 1
29 1 5 ASP HA 1 7 CYS H . . 4.800 3.576 3.576 3.576 . 0 0 "[ ]" 1
30 1 5 ASP HA 1 8 GLN HB3 . . 4.800 4.870 4.870 4.870 0.070 1 0 "[ ]" 1
31 1 5 ASP HA 1 46 ARG QG . . 5.800 4.403 4.403 4.403 . 0 0 "[ ]" 1
32 1 5 ASP HA 1 47 SER HB2 . . 3.600 3.063 3.063 3.063 . 0 0 "[ ]" 1
33 1 5 ASP HA 1 47 SER HB3 . . 4.800 4.823 4.823 4.823 0.023 1 0 "[ ]" 1
34 1 5 ASP HA 1 48 VAL H . . 4.800 4.777 4.777 4.777 . 0 0 "[ ]" 1
35 1 5 ASP HB2 1 6 PRO QD . . 5.800 4.185 4.185 4.185 . 0 0 "[ ]" 1
36 1 5 ASP HB2 1 8 GLN H . . 4.800 4.581 4.581 4.581 . 0 0 "[ ]" 1
37 1 5 ASP HB2 1 8 GLN HB2 . . 4.800 3.699 3.699 3.699 . 0 0 "[ ]" 1
38 1 5 ASP HB2 1 8 GLN QG . . 5.800 4.638 4.638 4.638 . 0 0 "[ ]" 1
39 1 5 ASP HB2 1 48 VAL H . . 4.800 3.855 3.855 3.855 . 0 0 "[ ]" 1
40 1 5 ASP HB2 1 48 VAL MG2 . . 5.800 3.644 3.644 3.644 . 0 0 "[ ]" 1
41 1 5 ASP HB3 1 6 PRO QD . . 5.800 4.422 4.422 4.422 . 0 0 "[ ]" 1
42 1 5 ASP HB3 1 7 CYS H . . 4.800 4.405 4.405 4.405 . 0 0 "[ ]" 1
43 1 5 ASP HB3 1 8 GLN H . . 4.800 3.306 3.306 3.306 . 0 0 "[ ]" 1
44 1 5 ASP HB3 1 8 GLN HB2 . . 3.600 2.341 2.341 2.341 . 0 0 "[ ]" 1
45 1 5 ASP HB3 1 8 GLN HB3 . . 3.600 2.565 2.565 2.565 . 0 0 "[ ]" 1
46 1 5 ASP HB3 1 8 GLN QG . . 5.800 3.369 3.369 3.369 . 0 0 "[ ]" 1
47 1 5 ASP HB3 1 48 VAL H . . 4.800 4.776 4.776 4.776 . 0 0 "[ ]" 1
48 1 5 ASP HB3 1 48 VAL MG2 . . 5.800 4.592 4.592 4.592 . 0 0 "[ ]" 1
49 1 6 PRO HA 1 8 GLN H . . 4.800 4.403 4.403 4.403 . 0 0 "[ ]" 1
50 1 6 PRO HA 1 42 TYR CZ . . 7.200 5.846 5.846 5.846 . 0 0 "[ ]" 1
51 1 6 PRO QB 1 8 GLN H . . 5.800 4.751 4.751 4.751 . 0 0 "[ ]" 1
52 1 6 PRO QB 1 42 TYR CG . . 8.200 4.869 4.869 4.869 . 0 0 "[ ]" 1
53 1 6 PRO QB 1 42 TYR CZ . . 7.000 3.229 3.229 3.229 . 0 0 "[ ]" 1
54 1 6 PRO QD 1 42 TYR CG . . 8.200 4.964 4.964 4.964 . 0 0 "[ ]" 1
55 1 6 PRO QD 1 42 TYR CZ . . 8.200 4.438 4.438 4.438 . 0 0 "[ ]" 1
56 1 6 PRO QG 1 42 TYR CG . . 8.200 4.083 4.083 4.083 . 0 0 "[ ]" 1
57 1 6 PRO QG 1 42 TYR CZ . . 8.200 2.699 2.699 2.699 . 0 0 "[ ]" 1
58 1 7 CYS H 1 8 GLN H . . 2.800 2.300 2.300 2.300 . 0 0 "[ ]" 1
59 1 7 CYS H 1 9 LYS H . . 4.800 4.286 4.286 4.286 . 0 0 "[ ]" 1
60 1 7 CYS H 1 49 VAL MG2 . . 4.800 3.702 3.702 3.702 . 0 0 "[ ]" 1
61 1 8 GLN H 1 8 GLN HA . . 2.800 2.797 2.797 2.797 . 0 0 "[ ]" 1
62 1 8 GLN H 1 8 GLN HB2 . . 3.600 2.499 2.499 2.499 . 0 0 "[ ]" 1
63 1 8 GLN H 1 8 GLN HB3 . . 3.600 2.221 2.221 2.221 . 0 0 "[ ]" 1
64 1 8 GLN H 1 8 GLN QG . . 4.800 3.863 3.863 3.863 . 0 0 "[ ]" 1
65 1 8 GLN H 1 9 LYS H . . 2.800 2.629 2.629 2.629 . 0 0 "[ ]" 1
66 1 8 GLN H 1 10 GLN H . . 4.800 4.282 4.282 4.282 . 0 0 "[ ]" 1
67 1 8 GLN H 1 49 VAL MG1 . . 5.800 3.817 3.817 3.817 . 0 0 "[ ]" 1
68 1 8 GLN H 1 49 VAL MG2 . . 4.800 3.246 3.246 3.246 . 0 0 "[ ]" 1
69 1 8 GLN HA 1 9 LYS H . . 3.600 3.461 3.461 3.461 . 0 0 "[ ]" 1
70 1 8 GLN HA 1 11 ALA H . . 3.600 3.601 3.601 3.601 0.001 1 0 "[ ]" 1
71 1 8 GLN HA 1 11 ALA MB . . 3.800 2.419 2.419 2.419 . 0 0 "[ ]" 1
72 1 8 GLN HA 1 12 CYS H . . 4.800 4.110 4.110 4.110 . 0 0 "[ ]" 1
73 1 8 GLN HA 1 49 VAL H . . 4.800 4.449 4.449 4.449 . 0 0 "[ ]" 1
74 1 8 GLN HA 1 49 VAL MG1 . . 4.800 2.042 2.042 2.042 . 0 0 "[ ]" 1
75 1 8 GLN HA 1 49 VAL MG2 . . 4.800 2.457 2.457 2.457 . 0 0 "[ ]" 1
76 1 8 GLN QE 1 11 ALA MB . . 6.600 3.968 3.968 3.968 . 0 0 "[ ]" 1
77 1 8 GLN QE 1 49 VAL MG1 . . 6.800 4.475 4.475 4.475 . 0 0 "[ ]" 1
78 1 8 GLN QG 1 9 LYS H . . 4.800 3.943 3.943 3.943 . 0 0 "[ ]" 1
79 1 8 GLN QG 1 49 VAL MG1 . . 6.800 3.026 3.026 3.026 . 0 0 "[ ]" 1
80 1 8 GLN QG 1 49 VAL MG2 . . 6.800 4.266 4.266 4.266 . 0 0 "[ ]" 1
81 1 9 LYS H 1 9 LYS HA . . 2.800 2.847 2.847 2.847 0.047 1 0 "[ ]" 1
82 1 9 LYS H 1 9 LYS HB2 . . 3.600 2.386 2.386 2.386 . 0 0 "[ ]" 1
83 1 9 LYS H 1 9 LYS HB3 . . 3.600 2.666 2.666 2.666 . 0 0 "[ ]" 1
84 1 9 LYS H 1 9 LYS QD . . 5.800 4.742 4.742 4.742 . 0 0 "[ ]" 1
85 1 9 LYS H 1 10 GLN H . . 2.800 2.733 2.733 2.733 . 0 0 "[ ]" 1
86 1 9 LYS H 1 11 ALA H . . 4.800 4.295 4.295 4.295 . 0 0 "[ ]" 1
87 1 9 LYS H 1 49 VAL MG2 . . 5.800 4.565 4.565 4.565 . 0 0 "[ ]" 1
88 1 9 LYS HA 1 10 GLN H . . 3.600 3.581 3.581 3.581 . 0 0 "[ ]" 1
89 1 9 LYS HA 1 12 CYS H . . 3.600 3.448 3.448 3.448 . 0 0 "[ ]" 1
90 1 9 LYS HA 1 12 CYS HB2 . . 3.600 2.933 2.933 2.933 . 0 0 "[ ]" 1
91 1 9 LYS HA 1 12 CYS HB3 . . 4.800 3.175 3.175 3.175 . 0 0 "[ ]" 1
92 1 9 LYS HA 1 13 GLU H . . 4.800 4.316 4.316 4.316 . 0 0 "[ ]" 1
93 1 9 LYS HB2 1 10 GLN H . . 3.600 3.681 3.681 3.681 0.081 1 0 "[ ]" 1
94 1 9 LYS HB2 1 10 GLN QE . . 5.800 3.622 3.622 3.622 . 0 0 "[ ]" 1
95 1 9 LYS HB3 1 10 GLN H . . 3.600 2.417 2.417 2.417 . 0 0 "[ ]" 1
96 1 9 LYS QD 1 10 GLN H . . 5.800 4.182 4.182 4.182 . 0 0 "[ ]" 1
97 1 9 LYS QG 1 10 GLN H . . 5.800 3.808 3.808 3.808 . 0 0 "[ ]" 1
98 1 9 LYS QG 1 13 GLU QG . . 6.800 3.262 3.262 3.262 . 0 0 "[ ]" 1
99 1 10 GLN H 1 10 GLN HA . . 2.800 2.837 2.837 2.837 0.037 1 0 "[ ]" 1
100 1 10 GLN H 1 10 GLN HB2 . . 3.600 3.001 3.001 3.001 . 0 0 "[ ]" 1
101 1 10 GLN H 1 10 GLN HB3 . . 3.600 3.610 3.610 3.610 0.010 1 0 "[ ]" 1
102 1 10 GLN H 1 10 GLN QG . . 4.800 2.245 2.245 2.245 . 0 0 "[ ]" 1
103 1 10 GLN H 1 11 ALA H . . 2.800 2.725 2.725 2.725 . 0 0 "[ ]" 1
104 1 10 GLN H 1 12 CYS H . . 4.800 3.897 3.897 3.897 . 0 0 "[ ]" 1
105 1 10 GLN H 1 35 LEU HG . . 4.800 4.851 4.851 4.851 0.051 1 0 "[ ]" 1
106 1 10 GLN H 1 49 VAL MG2 . . 5.800 4.467 4.467 4.467 . 0 0 "[ ]" 1
107 1 10 GLN HA 1 11 ALA H . . 3.600 3.610 3.610 3.610 0.010 1 0 "[ ]" 1
108 1 10 GLN HA 1 12 CYS H . . 4.800 4.072 4.072 4.072 . 0 0 "[ ]" 1
109 1 10 GLN HA 1 13 GLU H . . 3.600 2.967 2.967 2.967 . 0 0 "[ ]" 1
110 1 10 GLN HA 1 13 GLU QB . . 3.800 2.182 2.182 2.182 . 0 0 "[ ]" 1
111 1 10 GLN HA 1 14 ILE H . . 4.800 4.300 4.300 4.300 . 0 0 "[ ]" 1
112 1 10 GLN HA 1 31 VAL MG2 . . 5.800 4.010 4.010 4.010 . 0 0 "[ ]" 1
113 1 10 GLN HA 1 35 LEU QD . . 7.200 4.324 4.324 4.324 . 0 0 "[ ]" 1
114 1 10 GLN QG 1 11 ALA H . . 5.800 3.579 3.579 3.579 . 0 0 "[ ]" 1
115 1 10 GLN QG 1 35 LEU HA . . 5.800 2.952 2.952 2.952 . 0 0 "[ ]" 1
116 1 10 GLN QG 1 38 CYS H . . 5.800 4.142 4.142 4.142 . 0 0 "[ ]" 1
117 1 11 ALA H 1 11 ALA HA . . 2.800 2.798 2.798 2.798 . 0 0 "[ ]" 1
118 1 11 ALA H 1 12 CYS H . . 2.800 2.899 2.899 2.899 0.099 1 0 "[ ]" 1
119 1 11 ALA H 1 13 GLU H . . 4.800 4.238 4.238 4.238 . 0 0 "[ ]" 1
120 1 11 ALA H 1 35 LEU QB . . 5.800 4.833 4.833 4.833 . 0 0 "[ ]" 1
121 1 11 ALA H 1 35 LEU QD . . 6.200 2.245 2.245 2.245 . 0 0 "[ ]" 1
122 1 11 ALA H 1 35 LEU HG . . 4.800 3.062 3.062 3.062 . 0 0 "[ ]" 1
123 1 11 ALA H 1 49 VAL MG1 . . 5.800 4.043 4.043 4.043 . 0 0 "[ ]" 1
124 1 11 ALA H 1 49 VAL MG2 . . 5.800 3.034 3.034 3.034 . 0 0 "[ ]" 1
125 1 11 ALA HA 1 12 CYS H . . 3.600 3.550 3.550 3.550 . 0 0 "[ ]" 1
126 1 11 ALA HA 1 14 ILE H . . 3.600 3.247 3.247 3.247 . 0 0 "[ ]" 1
127 1 11 ALA HA 1 14 ILE HB . . 3.600 2.868 2.868 2.868 . 0 0 "[ ]" 1
128 1 11 ALA HA 1 14 ILE MD . . 4.800 2.054 2.054 2.054 . 0 0 "[ ]" 1
129 1 11 ALA HA 1 15 GLN H . . 4.800 4.618 4.618 4.618 . 0 0 "[ ]" 1
130 1 11 ALA HA 1 35 LEU HG . . 3.600 2.965 2.965 2.965 . 0 0 "[ ]" 1
131 1 11 ALA MB 1 35 LEU QD . . 7.200 1.989 1.989 1.989 . 0 0 "[ ]" 1
132 1 11 ALA MB 1 35 LEU HG . . 5.800 3.580 3.580 3.580 . 0 0 "[ ]" 1
133 1 11 ALA MB 1 49 VAL H . . 5.800 4.618 4.618 4.618 . 0 0 "[ ]" 1
134 1 11 ALA MB 1 49 VAL HA . . 5.800 4.071 4.071 4.071 . 0 0 "[ ]" 1
135 1 11 ALA MB 1 49 VAL HB . . 4.800 2.166 2.166 2.166 . 0 0 "[ ]" 1
136 1 11 ALA MB 1 49 VAL MG1 . . 5.800 2.036 2.036 2.036 . 0 0 "[ ]" 1
137 1 11 ALA MB 1 49 VAL MG2 . . 5.800 2.110 2.110 2.110 . 0 0 "[ ]" 1
138 1 12 CYS H 1 12 CYS HA . . 2.800 2.864 2.864 2.864 0.064 1 0 "[ ]" 1
139 1 12 CYS H 1 12 CYS HB2 . . 3.600 2.337 2.337 2.337 . 0 0 "[ ]" 1
140 1 12 CYS H 1 12 CYS HB3 . . 3.600 2.851 2.851 2.851 . 0 0 "[ ]" 1
141 1 12 CYS H 1 13 GLU H . . 2.800 2.606 2.606 2.606 . 0 0 "[ ]" 1
142 1 12 CYS H 1 13 GLU QG . . 5.800 4.730 4.730 4.730 . 0 0 "[ ]" 1
143 1 12 CYS H 1 14 ILE H . . 4.800 4.142 4.142 4.142 . 0 0 "[ ]" 1
144 1 12 CYS H 1 49 VAL MG1 . . 5.800 4.572 4.572 4.572 . 0 0 "[ ]" 1
145 1 12 CYS HA 1 12 CYS HB3 . . 2.800 2.952 2.952 2.952 0.152 1 0 "[ ]" 1
146 1 12 CYS HA 1 13 GLU H . . 3.600 3.566 3.566 3.566 . 0 0 "[ ]" 1
147 1 12 CYS HA 1 14 ILE H . . 4.800 4.396 4.396 4.396 . 0 0 "[ ]" 1
148 1 12 CYS HA 1 15 GLN H . . 3.600 3.542 3.542 3.542 . 0 0 "[ ]" 1
149 1 12 CYS HA 1 15 GLN HB2 . . 3.600 3.253 3.253 3.253 . 0 0 "[ ]" 1
150 1 12 CYS HA 1 16 LYS H . . 4.800 4.207 4.207 4.207 . 0 0 "[ ]" 1
151 1 12 CYS HB2 1 13 GLU H . . 3.600 3.626 3.626 3.626 0.026 1 0 "[ ]" 1
152 1 12 CYS HB3 1 13 GLU H . . 3.600 2.573 2.573 2.573 . 0 0 "[ ]" 1
153 1 12 CYS HB3 1 13 GLU QG . . 5.800 3.359 3.359 3.359 . 0 0 "[ ]" 1
154 1 13 GLU H 1 13 GLU HA . . 2.800 2.834 2.834 2.834 0.034 1 0 "[ ]" 1
155 1 13 GLU H 1 13 GLU QB . . 3.800 2.326 2.326 2.326 . 0 0 "[ ]" 1
156 1 13 GLU H 1 13 GLU QG . . 4.800 2.591 2.591 2.591 . 0 0 "[ ]" 1
157 1 13 GLU H 1 14 ILE H . . 2.800 2.885 2.885 2.885 0.085 1 0 "[ ]" 1
158 1 13 GLU H 1 15 GLN H . . 4.800 4.374 4.374 4.374 . 0 0 "[ ]" 1
159 1 13 GLU HA 1 14 ILE H . . 3.600 3.650 3.650 3.650 0.050 1 0 "[ ]" 1
160 1 13 GLU HA 1 15 GLN H . . 4.800 4.268 4.268 4.268 . 0 0 "[ ]" 1
161 1 13 GLU HA 1 16 LYS H . . 3.600 2.856 2.856 2.856 . 0 0 "[ ]" 1
162 1 13 GLU HA 1 16 LYS QB . . 3.800 2.254 2.254 2.254 . 0 0 "[ ]" 1
163 1 13 GLU HA 1 16 LYS QD . . 5.800 4.084 4.084 4.084 . 0 0 "[ ]" 1
164 1 13 GLU HA 1 16 LYS QE . . 5.800 4.815 4.815 4.815 . 0 0 "[ ]" 1
165 1 13 GLU HA 1 16 LYS QG . . 5.800 2.203 2.203 2.203 . 0 0 "[ ]" 1
166 1 13 GLU HA 1 17 CYS H . . 4.800 3.210 3.210 3.210 . 0 0 "[ ]" 1
167 1 13 GLU QB 1 31 VAL MG2 . . 5.800 2.071 2.071 2.071 . 0 0 "[ ]" 1
168 1 13 GLU QG 1 14 ILE H . . 5.800 4.523 4.523 4.523 . 0 0 "[ ]" 1
169 1 13 GLU QG 1 31 VAL MG2 . . 5.800 3.731 3.731 3.731 . 0 0 "[ ]" 1
170 1 14 ILE H 1 14 ILE HA . . 2.800 2.809 2.809 2.809 0.009 1 0 "[ ]" 1
171 1 14 ILE H 1 14 ILE HB . . 2.800 2.245 2.245 2.245 . 0 0 "[ ]" 1
172 1 14 ILE H 1 14 ILE MD . . 4.800 2.148 2.148 2.148 . 0 0 "[ ]" 1
173 1 14 ILE H 1 14 ILE HG12 . . 3.600 3.777 3.777 3.777 0.177 1 0 "[ ]" 1
174 1 14 ILE H 1 14 ILE HG13 . . 3.600 3.667 3.667 3.667 0.067 1 0 "[ ]" 1
175 1 14 ILE H 1 14 ILE MG . . 4.800 3.700 3.700 3.700 . 0 0 "[ ]" 1
176 1 14 ILE H 1 15 GLN H . . 2.800 2.820 2.820 2.820 0.020 1 0 "[ ]" 1
177 1 14 ILE H 1 16 LYS H . . 4.800 4.211 4.211 4.211 . 0 0 "[ ]" 1
178 1 14 ILE H 1 31 VAL MG1 . . 5.800 3.770 3.770 3.770 . 0 0 "[ ]" 1
179 1 14 ILE H 1 31 VAL MG2 . . 4.800 3.315 3.315 3.315 . 0 0 "[ ]" 1
180 1 14 ILE HA 1 14 ILE MD . . 4.800 2.846 2.846 2.846 . 0 0 "[ ]" 1
181 1 14 ILE HA 1 14 ILE HG12 . . 3.600 3.659 3.659 3.659 0.059 1 0 "[ ]" 1
182 1 14 ILE HA 1 14 ILE HG13 . . 3.600 2.464 2.464 2.464 . 0 0 "[ ]" 1
183 1 14 ILE HA 1 15 GLN H . . 3.600 3.588 3.588 3.588 . 0 0 "[ ]" 1
184 1 14 ILE HA 1 16 LYS H . . 4.800 4.698 4.698 4.698 . 0 0 "[ ]" 1
185 1 14 ILE HA 1 17 CYS H . . 3.600 3.727 3.727 3.727 0.127 1 0 "[ ]" 1
186 1 14 ILE HA 1 18 LEU H . . 4.800 4.103 4.103 4.103 . 0 0 "[ ]" 1
187 1 14 ILE HA 1 31 VAL HB . . 4.800 4.515 4.515 4.515 . 0 0 "[ ]" 1
188 1 14 ILE HA 1 31 VAL MG1 . . 3.800 1.932 1.932 1.932 . 0 0 "[ ]" 1
189 1 14 ILE HA 1 31 VAL MG2 . . 4.800 3.057 3.057 3.057 . 0 0 "[ ]" 1
190 1 14 ILE HB 1 15 GLN H . . 3.600 2.606 2.606 2.606 . 0 0 "[ ]" 1
191 1 14 ILE HB 1 31 VAL MG2 . . 5.800 4.617 4.617 4.617 . 0 0 "[ ]" 1
192 1 14 ILE MD 1 15 GLN H . . 5.800 4.199 4.199 4.199 . 0 0 "[ ]" 1
193 1 14 ILE MD 1 31 VAL HB . . 5.800 4.472 4.472 4.472 . 0 0 "[ ]" 1
194 1 14 ILE MD 1 31 VAL MG1 . . 5.800 2.744 2.744 2.744 . 0 0 "[ ]" 1
195 1 14 ILE MD 1 31 VAL MG2 . . 5.800 2.058 2.058 2.058 . 0 0 "[ ]" 1
196 1 14 ILE MD 1 35 LEU HG . . 5.800 2.082 2.082 2.082 . 0 0 "[ ]" 1
197 1 14 ILE QG 1 31 VAL MG1 . . 6.800 2.147 2.147 2.147 . 0 0 "[ ]" 1
198 1 14 ILE QG 1 31 VAL MG2 . . 6.800 3.402 3.402 3.402 . 0 0 "[ ]" 1
199 1 14 ILE QG 1 35 LEU HG . . 4.800 3.790 3.790 3.790 . 0 0 "[ ]" 1
200 1 14 ILE MG 1 32 ILE HA . . 5.800 4.322 4.322 4.322 . 0 0 "[ ]" 1
201 1 15 GLN H 1 15 GLN HA . . 2.800 2.839 2.839 2.839 0.039 1 0 "[ ]" 1
202 1 15 GLN H 1 15 GLN HB2 . . 3.600 2.606 2.606 2.606 . 0 0 "[ ]" 1
203 1 15 GLN H 1 15 GLN HB3 . . 3.600 3.618 3.618 3.618 0.018 1 0 "[ ]" 1
204 1 15 GLN H 1 15 GLN QG . . 4.800 2.198 2.198 2.198 . 0 0 "[ ]" 1
205 1 15 GLN H 1 16 LYS H . . 2.800 2.738 2.738 2.738 . 0 0 "[ ]" 1
206 1 15 GLN H 1 16 LYS QD . . 5.800 4.690 4.690 4.690 . 0 0 "[ ]" 1
207 1 15 GLN H 1 17 CYS H . . 4.800 4.288 4.288 4.288 . 0 0 "[ ]" 1
208 1 15 GLN HA 1 16 LYS H . . 3.600 3.614 3.614 3.614 0.014 1 0 "[ ]" 1
209 1 15 GLN HA 1 18 LEU H . . 3.600 3.413 3.413 3.413 . 0 0 "[ ]" 1
210 1 15 GLN HA 1 18 LEU QB . . 4.800 2.308 2.308 2.308 . 0 0 "[ ]" 1
211 1 15 GLN HA 1 18 LEU QD . . 6.200 2.937 2.937 2.937 . 0 0 "[ ]" 1
212 1 15 GLN HA 1 19 GLN H . . 4.800 4.448 4.448 4.448 . 0 0 "[ ]" 1
213 1 15 GLN HA 1 19 GLN QE . . 5.800 3.043 3.043 3.043 . 0 0 "[ ]" 1
214 1 15 GLN HB2 1 16 LYS H . . 3.600 2.680 2.680 2.680 . 0 0 "[ ]" 1
215 1 15 GLN HB3 1 16 LYS H . . 4.800 3.741 3.741 3.741 . 0 0 "[ ]" 1
216 1 15 GLN QE 1 18 LEU QD . . 8.200 4.490 4.490 4.490 . 0 0 "[ ]" 1
217 1 15 GLN QG 1 16 LYS H . . 5.800 4.058 4.058 4.058 . 0 0 "[ ]" 1
218 1 16 LYS H 1 16 LYS HA . . 2.800 2.845 2.845 2.845 0.045 1 0 "[ ]" 1
219 1 16 LYS H 1 16 LYS QB . . 3.800 2.722 2.722 2.722 . 0 0 "[ ]" 1
220 1 16 LYS H 1 16 LYS QD . . 5.800 2.658 2.658 2.658 . 0 0 "[ ]" 1
221 1 16 LYS H 1 16 LYS QG . . 4.800 2.295 2.295 2.295 . 0 0 "[ ]" 1
222 1 16 LYS H 1 17 CYS H . . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 1
223 1 16 LYS H 1 18 LEU H . . 4.800 4.021 4.021 4.021 . 0 0 "[ ]" 1
224 1 16 LYS HA 1 17 CYS H . . 3.600 3.587 3.587 3.587 . 0 0 "[ ]" 1
225 1 16 LYS HA 1 19 GLN H . . 3.600 3.088 3.088 3.088 . 0 0 "[ ]" 1
226 1 16 LYS HA 1 19 GLN QB . . 4.800 3.481 3.481 3.481 . 0 0 "[ ]" 1
227 1 16 LYS HA 1 20 ALA H . . 4.800 4.112 4.112 4.112 . 0 0 "[ ]" 1
228 1 16 LYS HA 1 23 TYR CZ . . 7.200 7.412 7.412 7.412 0.212 1 0 "[ ]" 1
229 1 16 LYS QB 1 17 CYS H . . 3.800 2.513 2.513 2.513 . 0 0 "[ ]" 1
230 1 16 LYS QB 1 19 GLN H . . 5.800 4.586 4.586 4.586 . 0 0 "[ ]" 1
231 1 16 LYS QD 1 17 CYS H . . 5.800 4.737 4.737 4.737 . 0 0 "[ ]" 1
232 1 16 LYS QG 1 17 CYS H . . 5.800 3.901 3.901 3.901 . 0 0 "[ ]" 1
233 1 17 CYS H 1 18 LEU H . . 2.800 2.640 2.640 2.640 . 0 0 "[ ]" 1
234 1 17 CYS H 1 20 ALA MB . . 5.800 4.591 4.591 4.591 . 0 0 "[ ]" 1
235 1 17 CYS H 1 31 VAL MG1 . . 5.800 3.622 3.622 3.622 . 0 0 "[ ]" 1
236 1 17 CYS H 1 31 VAL MG2 . . 5.800 4.007 4.007 4.007 . 0 0 "[ ]" 1
237 1 18 LEU H 1 18 LEU HA . . 2.800 2.789 2.789 2.789 . 0 0 "[ ]" 1
238 1 18 LEU H 1 18 LEU QB . . 3.800 2.064 2.064 2.064 . 0 0 "[ ]" 1
239 1 18 LEU H 1 18 LEU QD . . 4.800 2.780 2.780 2.780 . 0 0 "[ ]" 1
240 1 18 LEU H 1 18 LEU HG . . 4.800 3.998 3.998 3.998 . 0 0 "[ ]" 1
241 1 18 LEU H 1 19 GLN H . . 2.800 2.847 2.847 2.847 0.047 1 0 "[ ]" 1
242 1 18 LEU H 1 20 ALA H . . 4.800 4.264 4.264 4.264 . 0 0 "[ ]" 1
243 1 18 LEU H 1 23 TYR CG . . 7.200 7.015 7.015 7.015 . 0 0 "[ ]" 1
244 1 18 LEU H 1 31 VAL MG1 . . 5.800 4.185 4.185 4.185 . 0 0 "[ ]" 1
245 1 18 LEU HA 1 18 LEU HG . . 2.800 2.048 2.048 2.048 . 0 0 "[ ]" 1
246 1 18 LEU HA 1 19 GLN H . . 3.600 3.576 3.576 3.576 . 0 0 "[ ]" 1
247 1 18 LEU HA 1 20 ALA H . . 4.800 4.522 4.522 4.522 . 0 0 "[ ]" 1
248 1 18 LEU HA 1 21 ASN H . . 3.600 3.337 3.337 3.337 . 0 0 "[ ]" 1
249 1 18 LEU HA 1 21 ASN HB2 . . 3.600 2.634 2.634 2.634 . 0 0 "[ ]" 1
250 1 18 LEU HA 1 21 ASN HB3 . . 4.800 4.178 4.178 4.178 . 0 0 "[ ]" 1
251 1 18 LEU HA 1 23 TYR CG . . 6.000 5.436 5.436 5.436 . 0 0 "[ ]" 1
252 1 18 LEU HA 1 23 TYR CZ . . 7.200 6.798 6.798 6.798 . 0 0 "[ ]" 1
253 1 18 LEU HA 1 23 TYR H . . 3.600 3.364 3.364 3.364 . 0 0 "[ ]" 1
254 1 18 LEU HA 1 23 TYR HA . . 3.600 3.116 3.116 3.116 . 0 0 "[ ]" 1
255 1 18 LEU QB 1 19 GLN H . . 4.800 2.768 2.768 2.768 . 0 0 "[ ]" 1
256 1 18 LEU QB 1 21 ASN H . . 5.800 4.699 4.699 4.699 . 0 0 "[ ]" 1
257 1 18 LEU QB 1 23 TYR CG . . 7.000 3.858 3.858 3.858 . 0 0 "[ ]" 1
258 1 18 LEU QB 1 23 TYR CZ . . 8.200 4.727 4.727 4.727 . 0 0 "[ ]" 1
259 1 18 LEU QB 1 23 TYR H . . 5.800 3.653 3.653 3.653 . 0 0 "[ ]" 1
260 1 18 LEU QD 1 19 GLN H . . 6.200 4.195 4.195 4.195 . 0 0 "[ ]" 1
261 1 18 LEU QD 1 23 TYR CG . . 8.400 3.223 3.223 3.223 . 0 0 "[ ]" 1
262 1 18 LEU QD 1 23 TYR CZ . . 8.400 4.893 4.893 4.893 . 0 0 "[ ]" 1
263 1 18 LEU QD 1 23 TYR H . . 6.200 3.791 3.791 3.791 . 0 0 "[ ]" 1
264 1 18 LEU QD 1 23 TYR HA . . 7.200 2.164 2.164 2.164 . 0 0 "[ ]" 1
265 1 18 LEU QD 1 23 TYR HB2 . . 7.200 3.701 3.701 3.701 . 0 0 "[ ]" 1
266 1 18 LEU QD 1 23 TYR QB . . 8.200 2.296 2.296 2.296 . 0 0 "[ ]" 1
267 1 18 LEU QD 1 25 GLU H . . 7.200 3.017 3.017 3.017 . 0 0 "[ ]" 1
268 1 18 LEU QD 1 25 GLU HB2 . . 7.200 2.157 2.157 2.157 . 0 0 "[ ]" 1
269 1 18 LEU QD 1 25 GLU HB3 . . 7.200 3.459 3.459 3.459 . 0 0 "[ ]" 1
270 1 18 LEU QD 1 25 GLU QG . . 7.200 2.224 2.224 2.224 . 0 0 "[ ]" 1
271 1 18 LEU HG 1 19 GLN QE . . 5.800 4.880 4.880 4.880 . 0 0 "[ ]" 1
272 1 18 LEU HG 1 23 TYR CG . . 6.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
273 1 18 LEU HG 1 23 TYR CZ . . 7.200 6.680 6.680 6.680 . 0 0 "[ ]" 1
274 1 18 LEU HG 1 23 TYR H . . 4.800 3.550 3.550 3.550 . 0 0 "[ ]" 1
275 1 18 LEU HG 1 23 TYR HA . . 2.800 2.063 2.063 2.063 . 0 0 "[ ]" 1
276 1 18 LEU HG 1 23 TYR QB . . 5.800 3.816 3.816 3.816 . 0 0 "[ ]" 1
277 1 18 LEU HG 1 24 MET H . . 3.600 3.800 3.800 3.800 0.200 1 0 "[ ]" 1
278 1 18 LEU HG 1 24 MET HA . . 4.800 4.837 4.837 4.837 0.037 1 0 "[ ]" 1
279 1 18 LEU HG 1 25 GLU H . . 4.800 3.483 3.483 3.483 . 0 0 "[ ]" 1
280 1 18 LEU HG 1 25 GLU HA . . 3.600 3.275 3.275 3.275 . 0 0 "[ ]" 1
281 1 18 LEU HG 1 25 GLU HB2 . . 4.800 3.611 3.611 3.611 . 0 0 "[ ]" 1
282 1 18 LEU HG 1 25 GLU QG . . 5.800 4.474 4.474 4.474 . 0 0 "[ ]" 1
283 1 18 LEU HG 1 28 CYS H . . 4.800 5.001 5.001 5.001 0.201 1 0 "[ ]" 1
284 1 19 GLN H 1 19 GLN HA . . 2.800 2.882 2.882 2.882 0.082 1 0 "[ ]" 1
285 1 19 GLN H 1 19 GLN QB . . 3.800 2.909 2.909 2.909 . 0 0 "[ ]" 1
286 1 19 GLN H 1 19 GLN QG . . 4.800 1.759 1.759 1.759 . 0 0 "[ ]" 1
287 1 19 GLN H 1 20 ALA H . . 2.800 2.679 2.679 2.679 . 0 0 "[ ]" 1
288 1 19 GLN H 1 20 ALA MB . . 5.800 4.293 4.293 4.293 . 0 0 "[ ]" 1
289 1 19 GLN H 1 21 ASN H . . 4.800 3.873 3.873 3.873 . 0 0 "[ ]" 1
290 1 19 GLN H 1 23 TYR CG . . 7.200 5.682 5.682 5.682 . 0 0 "[ ]" 1
291 1 19 GLN H 1 23 TYR CZ . . 7.200 5.374 5.374 5.374 . 0 0 "[ ]" 1
292 1 19 GLN HA 1 20 ALA H . . 3.600 3.545 3.545 3.545 . 0 0 "[ ]" 1
293 1 19 GLN HA 1 21 ASN H . . 4.800 3.576 3.576 3.576 . 0 0 "[ ]" 1
294 1 19 GLN HA 1 22 SER H . . 4.800 3.103 3.103 3.103 . 0 0 "[ ]" 1
295 1 19 GLN HA 1 23 TYR CG . . 6.000 4.285 4.285 4.285 . 0 0 "[ ]" 1
296 1 19 GLN HA 1 23 TYR CZ . . 5.200 3.486 3.486 3.486 . 0 0 "[ ]" 1
297 1 19 GLN HA 1 23 TYR H . . 4.800 3.378 3.378 3.378 . 0 0 "[ ]" 1
298 1 19 GLN QB 1 20 ALA H . . 3.800 2.782 2.782 2.782 . 0 0 "[ ]" 1
299 1 19 GLN QB 1 23 TYR CZ . . 7.200 3.975 3.975 3.975 . 0 0 "[ ]" 1
300 1 19 GLN QG 1 20 ALA H . . 5.800 3.481 3.481 3.481 . 0 0 "[ ]" 1
301 1 19 GLN QG 1 23 TYR CG . . 7.200 5.935 5.935 5.935 . 0 0 "[ ]" 1
302 1 19 GLN QG 1 23 TYR CZ . . 6.000 4.753 4.753 4.753 . 0 0 "[ ]" 1
303 1 20 ALA H 1 20 ALA HA . . 2.800 2.840 2.840 2.840 0.040 1 0 "[ ]" 1
304 1 20 ALA H 1 21 ASN H . . 2.800 2.820 2.820 2.820 0.020 1 0 "[ ]" 1
305 1 20 ALA HA 1 21 ASN H . . 3.600 3.474 3.474 3.474 . 0 0 "[ ]" 1
306 1 20 ALA MB 1 21 ASN HA . . 5.800 4.318 4.318 4.318 . 0 0 "[ ]" 1
307 1 20 ALA MB 1 21 ASN HB2 . . 5.800 4.240 4.240 4.240 . 0 0 "[ ]" 1
308 1 20 ALA MB 1 21 ASN QD . . 6.800 2.450 2.450 2.450 . 0 0 "[ ]" 1
309 1 21 ASN H 1 21 ASN HB2 . . 3.600 2.494 2.494 2.494 . 0 0 "[ ]" 1
310 1 21 ASN H 1 21 ASN HB3 . . 3.600 3.655 3.655 3.655 0.055 1 0 "[ ]" 1
311 1 21 ASN H 1 22 SER H . . 2.800 2.202 2.202 2.202 . 0 0 "[ ]" 1
312 1 21 ASN H 1 22 SER HA . . 4.800 4.276 4.276 4.276 . 0 0 "[ ]" 1
313 1 21 ASN H 1 23 TYR H . . 3.600 3.332 3.332 3.332 . 0 0 "[ ]" 1
314 1 21 ASN H 1 23 TYR HA . . 4.800 4.852 4.852 4.852 0.052 1 0 "[ ]" 1
315 1 21 ASN HA 1 21 ASN HB3 . . 2.800 2.486 2.486 2.486 . 0 0 "[ ]" 1
316 1 21 ASN HA 1 22 SER H . . 3.600 3.312 3.312 3.312 . 0 0 "[ ]" 1
317 1 21 ASN HA 1 23 TYR H . . 4.800 4.802 4.802 4.802 0.002 1 0 "[ ]" 1
318 1 21 ASN HA 1 24 MET H . . 4.800 4.655 4.655 4.655 . 0 0 "[ ]" 1
319 1 21 ASN HA 1 24 MET HB2 . . 4.800 4.268 4.268 4.268 . 0 0 "[ ]" 1
320 1 21 ASN HA 1 24 MET ME . . 4.800 3.337 3.337 3.337 . 0 0 "[ ]" 1
321 1 21 ASN HA 1 27 LYS QB . . 5.800 4.531 4.531 4.531 . 0 0 "[ ]" 1
322 1 21 ASN HA 1 27 LYS QD . . 5.800 3.471 3.471 3.471 . 0 0 "[ ]" 1
323 1 21 ASN HA 1 27 LYS QG . . 5.800 4.785 4.785 4.785 . 0 0 "[ ]" 1
324 1 21 ASN HB3 1 22 SER H . . 4.800 4.410 4.410 4.410 . 0 0 "[ ]" 1
325 1 21 ASN HB3 1 27 LYS H . . 4.800 4.247 4.247 4.247 . 0 0 "[ ]" 1
326 1 21 ASN HB3 1 27 LYS QB . . 4.800 2.693 2.693 2.693 . 0 0 "[ ]" 1
327 1 22 SER H 1 22 SER HA . . 2.800 2.210 2.210 2.210 . 0 0 "[ ]" 1
328 1 22 SER H 1 23 TYR CG . . 6.000 5.092 5.092 5.092 . 0 0 "[ ]" 1
329 1 22 SER H 1 23 TYR CZ . . 7.200 5.580 5.580 5.580 . 0 0 "[ ]" 1
330 1 22 SER H 1 23 TYR H . . 2.800 2.570 2.570 2.570 . 0 0 "[ ]" 1
331 1 22 SER HA 1 23 TYR CG . . 6.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
332 1 22 SER HA 1 23 TYR CZ . . 7.200 4.317 4.317 4.317 . 0 0 "[ ]" 1
333 1 22 SER HA 1 23 TYR H . . 3.600 2.609 2.609 2.609 . 0 0 "[ ]" 1
334 1 22 SER QB 1 23 TYR CG . . 8.200 4.826 4.826 4.826 . 0 0 "[ ]" 1
335 1 22 SER QB 1 23 TYR CZ . . 8.200 5.680 5.680 5.680 . 0 0 "[ ]" 1
336 1 22 SER QB 1 24 MET H . . 4.800 3.816 3.816 3.816 . 0 0 "[ ]" 1
337 1 22 SER QB 1 24 MET ME . . 6.800 2.520 2.520 2.520 . 0 0 "[ ]" 1
338 1 22 SER QB 1 24 MET QG . . 6.800 3.018 3.018 3.018 . 0 0 "[ ]" 1
339 1 23 TYR CZ 1 23 TYR H . . 6.000 4.677 4.677 4.677 . 0 0 "[ ]" 1
340 1 23 TYR H 1 23 TYR HA . . 2.800 2.114 2.114 2.114 . 0 0 "[ ]" 1
341 1 23 TYR H 1 23 TYR QB . . 3.800 3.291 3.291 3.291 . 0 0 "[ ]" 1
342 1 23 TYR H 1 24 MET H . . 2.800 2.706 2.706 2.706 . 0 0 "[ ]" 1
343 1 23 TYR HA 1 24 MET H . . 3.600 3.009 3.009 3.009 . 0 0 "[ ]" 1
344 1 24 MET H 1 24 MET HA . . 2.800 2.865 2.865 2.865 0.065 1 0 "[ ]" 1
345 1 24 MET H 1 24 MET HB2 . . 3.600 2.500 2.500 2.500 . 0 0 "[ ]" 1
346 1 24 MET H 1 24 MET HB3 . . 3.600 3.595 3.595 3.595 . 0 0 "[ ]" 1
347 1 24 MET H 1 24 MET QG . . 3.800 2.217 2.217 2.217 . 0 0 "[ ]" 1
348 1 24 MET H 1 25 GLU H . . 4.800 3.840 3.840 3.840 . 0 0 "[ ]" 1
349 1 24 MET HA 1 24 MET HB3 . . 2.800 2.452 2.452 2.452 . 0 0 "[ ]" 1
350 1 24 MET HA 1 25 GLU H . . 2.800 2.356 2.356 2.356 . 0 0 "[ ]" 1
351 1 24 MET HA 1 25 GLU HA . . 4.800 4.577 4.577 4.577 . 0 0 "[ ]" 1
352 1 24 MET HA 1 26 SER H . . 4.800 3.202 3.202 3.202 . 0 0 "[ ]" 1
353 1 24 MET HA 1 27 LYS QG . . 5.800 4.516 4.516 4.516 . 0 0 "[ ]" 1
354 1 24 MET ME 1 27 LYS QD . . 6.800 2.674 2.674 2.674 . 0 0 "[ ]" 1
355 1 24 MET ME 1 27 LYS QE . . 5.800 3.157 3.157 3.157 . 0 0 "[ ]" 1
356 1 24 MET ME 1 27 LYS QG . . 5.800 3.335 3.335 3.335 . 0 0 "[ ]" 1
357 1 24 MET QG 1 25 GLU H . . 5.800 4.361 4.361 4.361 . 0 0 "[ ]" 1
358 1 24 MET QG 1 27 LYS QG . . 6.800 4.207 4.207 4.207 . 0 0 "[ ]" 1
359 1 25 GLU H 1 25 GLU HA . . 2.800 2.739 2.739 2.739 . 0 0 "[ ]" 1
360 1 25 GLU H 1 25 GLU HB2 . . 2.800 2.221 2.221 2.221 . 0 0 "[ ]" 1
361 1 25 GLU H 1 25 GLU HB3 . . 3.600 2.533 2.533 2.533 . 0 0 "[ ]" 1
362 1 25 GLU H 1 25 GLU QG . . 4.800 3.841 3.841 3.841 . 0 0 "[ ]" 1
363 1 25 GLU H 1 26 SER H . . 3.600 2.912 2.912 2.912 . 0 0 "[ ]" 1
364 1 25 GLU H 1 27 LYS H . . 4.800 4.496 4.496 4.496 . 0 0 "[ ]" 1
365 1 25 GLU HA 1 26 SER H . . 3.600 3.502 3.502 3.502 . 0 0 "[ ]" 1
366 1 25 GLU HA 1 27 LYS H . . 4.800 3.792 3.792 3.792 . 0 0 "[ ]" 1
367 1 25 GLU HA 1 28 CYS H . . 3.600 2.803 2.803 2.803 . 0 0 "[ ]" 1
368 1 25 GLU HA 1 29 GLN QE . . 5.800 3.817 3.817 3.817 . 0 0 "[ ]" 1
369 1 25 GLU HA 1 32 ILE MD . . 5.800 4.024 4.024 4.024 . 0 0 "[ ]" 1
370 1 25 GLU HB2 1 26 SER H . . 4.800 4.150 4.150 4.150 . 0 0 "[ ]" 1
371 1 25 GLU HB2 1 29 GLN QE . . 6.800 4.541 4.541 4.541 . 0 0 "[ ]" 1
372 1 25 GLU HB3 1 26 SER H . . 3.600 3.141 3.141 3.141 . 0 0 "[ ]" 1
373 1 25 GLU QG 1 26 SER H . . 5.800 4.077 4.077 4.077 . 0 0 "[ ]" 1
374 1 26 SER H 1 26 SER HA . . 2.800 2.753 2.753 2.753 . 0 0 "[ ]" 1
375 1 26 SER H 1 27 LYS H . . 3.600 2.848 2.848 2.848 . 0 0 "[ ]" 1
376 1 26 SER H 1 28 CYS H . . 4.800 4.204 4.204 4.204 . 0 0 "[ ]" 1
377 1 26 SER HA 1 27 LYS H . . 3.600 3.613 3.613 3.613 0.013 1 0 "[ ]" 1
378 1 26 SER HA 1 28 CYS H . . 4.800 4.735 4.735 4.735 . 0 0 "[ ]" 1
379 1 26 SER HA 1 29 GLN QE . . 4.800 3.289 3.289 3.289 . 0 0 "[ ]" 1
380 1 26 SER HA 1 29 GLN QG . . 4.800 2.464 2.464 2.464 . 0 0 "[ ]" 1
381 1 26 SER QB 1 28 CYS H . . 5.800 4.705 4.705 4.705 . 0 0 "[ ]" 1
382 1 27 LYS H 1 27 LYS HA . . 2.800 2.893 2.893 2.893 0.093 1 0 "[ ]" 1
383 1 27 LYS H 1 27 LYS QD . . 5.800 4.176 4.176 4.176 . 0 0 "[ ]" 1
384 1 27 LYS H 1 27 LYS QG . . 4.800 2.277 2.277 2.277 . 0 0 "[ ]" 1
385 1 27 LYS H 1 28 CYS H . . 2.800 2.399 2.399 2.399 . 0 0 "[ ]" 1
386 1 27 LYS H 1 29 GLN H . . 4.800 3.976 3.976 3.976 . 0 0 "[ ]" 1
387 1 27 LYS HA 1 28 CYS H . . 3.600 3.587 3.587 3.587 . 0 0 "[ ]" 1
388 1 27 LYS HA 1 29 GLN H . . 4.800 3.848 3.848 3.848 . 0 0 "[ ]" 1
389 1 27 LYS QB 1 28 CYS H . . 5.800 2.644 2.644 2.644 . 0 0 "[ ]" 1
390 1 27 LYS QG 1 28 CYS H . . 5.800 3.852 3.852 3.852 . 0 0 "[ ]" 1
391 1 28 CYS H 1 29 GLN H . . 2.800 2.873 2.873 2.873 0.073 1 0 "[ ]" 1
392 1 28 CYS H 1 31 VAL MG1 . . 5.800 4.386 4.386 4.386 . 0 0 "[ ]" 1
393 1 28 CYS H 1 32 ILE MD . . 5.800 4.545 4.545 4.545 . 0 0 "[ ]" 1
394 1 29 GLN H 1 29 GLN HA . . 2.800 2.824 2.824 2.824 0.024 1 0 "[ ]" 1
395 1 29 GLN H 1 29 GLN QB . . 3.800 2.576 2.576 2.576 . 0 0 "[ ]" 1
396 1 29 GLN H 1 29 GLN QG . . 4.800 2.226 2.226 2.226 . 0 0 "[ ]" 1
397 1 29 GLN H 1 30 ALA H . . 3.600 2.905 2.905 2.905 . 0 0 "[ ]" 1
398 1 29 GLN HA 1 30 ALA H . . 3.600 3.577 3.577 3.577 . 0 0 "[ ]" 1
399 1 29 GLN HA 1 32 ILE H . . 3.600 3.270 3.270 3.270 . 0 0 "[ ]" 1
400 1 29 GLN HA 1 32 ILE HB . . 3.600 2.403 2.403 2.403 . 0 0 "[ ]" 1
401 1 29 GLN HA 1 32 ILE MD . . 4.800 2.456 2.456 2.456 . 0 0 "[ ]" 1
402 1 29 GLN HA 1 32 ILE MG . . 4.800 3.709 3.709 3.709 . 0 0 "[ ]" 1
403 1 29 GLN HA 1 33 GLN H . . 4.800 3.891 3.891 3.891 . 0 0 "[ ]" 1
404 1 29 GLN QE 1 32 ILE MD . . 5.800 2.717 2.717 2.717 . 0 0 "[ ]" 1
405 1 29 GLN QE 1 32 ILE MG . . 6.800 4.070 4.070 4.070 . 0 0 "[ ]" 1
406 1 29 GLN QG 1 30 ALA H . . 5.800 4.226 4.226 4.226 . 0 0 "[ ]" 1
407 1 30 ALA H 1 30 ALA HA . . 2.800 2.820 2.820 2.820 0.020 1 0 "[ ]" 1
408 1 30 ALA H 1 31 VAL H . . 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 1
409 1 30 ALA H 1 31 VAL MG1 . . 5.800 4.172 4.172 4.172 . 0 0 "[ ]" 1
410 1 30 ALA H 1 32 ILE H . . 4.800 4.170 4.170 4.170 . 0 0 "[ ]" 1
411 1 30 ALA HA 1 31 VAL H . . 3.600 3.615 3.615 3.615 0.015 1 0 "[ ]" 1
412 1 30 ALA HA 1 32 ILE H . . 4.800 4.645 4.645 4.645 . 0 0 "[ ]" 1
413 1 30 ALA HA 1 33 GLN H . . 3.600 3.563 3.563 3.563 . 0 0 "[ ]" 1
414 1 30 ALA HA 1 33 GLN QB . . 4.800 2.658 2.658 2.658 . 0 0 "[ ]" 1
415 1 30 ALA HA 1 33 GLN QE . . 5.800 4.731 4.731 4.731 . 0 0 "[ ]" 1
416 1 30 ALA HA 1 34 GLU H . . 4.800 4.655 4.655 4.655 . 0 0 "[ ]" 1
417 1 30 ALA MB 1 31 VAL HA . . 5.800 3.680 3.680 3.680 . 0 0 "[ ]" 1
418 1 30 ALA MB 1 31 VAL MG1 . . 6.800 3.683 3.683 3.683 . 0 0 "[ ]" 1
419 1 30 ALA MB 1 31 VAL MG2 . . 6.800 4.395 4.395 4.395 . 0 0 "[ ]" 1
420 1 30 ALA MB 1 33 GLN H . . 5.800 4.579 4.579 4.579 . 0 0 "[ ]" 1
421 1 30 ALA MB 1 33 GLN QB . . 6.800 3.945 3.945 3.945 . 0 0 "[ ]" 1
422 1 31 VAL H 1 31 VAL HA . . 2.800 2.866 2.866 2.866 0.066 1 0 "[ ]" 1
423 1 31 VAL H 1 31 VAL HB . . 3.600 2.502 2.502 2.502 . 0 0 "[ ]" 1
424 1 31 VAL H 1 31 VAL MG1 . . 4.800 2.181 2.181 2.181 . 0 0 "[ ]" 1
425 1 31 VAL H 1 31 VAL MG2 . . 4.800 3.726 3.726 3.726 . 0 0 "[ ]" 1
426 1 31 VAL H 1 32 ILE H . . 2.800 2.484 2.484 2.484 . 0 0 "[ ]" 1
427 1 31 VAL H 1 32 ILE HB . . 4.800 4.511 4.511 4.511 . 0 0 "[ ]" 1
428 1 31 VAL H 1 33 GLN H . . 4.800 3.903 3.903 3.903 . 0 0 "[ ]" 1
429 1 31 VAL HA 1 32 ILE H . . 3.600 3.613 3.613 3.613 0.013 1 0 "[ ]" 1
430 1 31 VAL HA 1 34 GLU H . . 3.600 2.586 2.586 2.586 . 0 0 "[ ]" 1
431 1 31 VAL HA 1 34 GLU HB2 . . 4.800 2.314 2.314 2.314 . 0 0 "[ ]" 1
432 1 31 VAL HA 1 34 GLU HB3 . . 3.600 2.600 2.600 2.600 . 0 0 "[ ]" 1
433 1 31 VAL HA 1 35 LEU H . . 4.800 4.124 4.124 4.124 . 0 0 "[ ]" 1
434 1 31 VAL MG1 1 32 ILE H . . 4.800 2.516 2.516 2.516 . 0 0 "[ ]" 1
435 1 31 VAL MG1 1 34 GLU H . . 5.800 4.643 4.643 4.643 . 0 0 "[ ]" 1
436 1 31 VAL MG2 1 32 ILE H . . 5.800 4.131 4.131 4.131 . 0 0 "[ ]" 1
437 1 31 VAL MG2 1 34 GLU H . . 5.800 4.062 4.062 4.062 . 0 0 "[ ]" 1
438 1 31 VAL MG2 1 35 LEU HG . . 5.800 4.629 4.629 4.629 . 0 0 "[ ]" 1
439 1 32 ILE H 1 32 ILE HA . . 2.800 2.852 2.852 2.852 0.052 1 0 "[ ]" 1
440 1 32 ILE H 1 32 ILE MD . . 4.800 2.319 2.319 2.319 . 0 0 "[ ]" 1
441 1 32 ILE H 1 32 ILE MG . . 4.800 3.736 3.736 3.736 . 0 0 "[ ]" 1
442 1 32 ILE H 1 33 GLN H . . 2.800 2.694 2.694 2.694 . 0 0 "[ ]" 1
443 1 32 ILE H 1 34 GLU H . . 4.800 3.851 3.851 3.851 . 0 0 "[ ]" 1
444 1 32 ILE HA 1 33 GLN H . . 3.600 3.657 3.657 3.657 0.057 1 0 "[ ]" 1
445 1 32 ILE HA 1 34 GLU H . . 4.800 3.974 3.974 3.974 . 0 0 "[ ]" 1
446 1 32 ILE HA 1 35 LEU H . . 3.600 3.284 3.284 3.284 . 0 0 "[ ]" 1
447 1 32 ILE HA 1 35 LEU QB . . 4.800 2.555 2.555 2.555 . 0 0 "[ ]" 1
448 1 32 ILE HA 1 35 LEU HG . . 4.800 4.189 4.189 4.189 . 0 0 "[ ]" 1
449 1 32 ILE HA 1 36 ARG H . . 4.800 4.511 4.511 4.511 . 0 0 "[ ]" 1
450 1 32 ILE HA 1 53 PHE CZ . . 7.200 3.552 3.552 3.552 . 0 0 "[ ]" 1
451 1 32 ILE HA 1 53 PHE HZ . . 4.800 2.747 2.747 2.747 . 0 0 "[ ]" 1
452 1 32 ILE HB 1 33 GLN H . . 3.600 2.740 2.740 2.740 . 0 0 "[ ]" 1
453 1 32 ILE MD 1 33 GLN H . . 5.800 4.273 4.273 4.273 . 0 0 "[ ]" 1
454 1 32 ILE MG 1 33 GLN H . . 4.800 3.185 3.185 3.185 . 0 0 "[ ]" 1
455 1 32 ILE MG 1 33 GLN QE . . 6.800 4.479 4.479 4.479 . 0 0 "[ ]" 1
456 1 32 ILE MG 1 35 LEU H . . 5.800 4.598 4.598 4.598 . 0 0 "[ ]" 1
457 1 32 ILE MG 1 36 ARG H . . 5.800 4.362 4.362 4.362 . 0 0 "[ ]" 1
458 1 32 ILE MG 1 36 ARG QD . . 6.800 2.764 2.764 2.764 . 0 0 "[ ]" 1
459 1 32 ILE MG 1 36 ARG HE . . 5.800 3.428 3.428 3.428 . 0 0 "[ ]" 1
460 1 32 ILE MG 1 53 PHE CG . . 7.200 4.619 4.619 4.619 . 0 0 "[ ]" 1
461 1 32 ILE MG 1 53 PHE CZ . . 7.200 2.506 2.506 2.506 . 0 0 "[ ]" 1
462 1 32 ILE MG 1 53 PHE HZ . . 4.800 1.927 1.927 1.927 . 0 0 "[ ]" 1
463 1 33 GLN H 1 33 GLN HA . . 2.800 2.779 2.779 2.779 . 0 0 "[ ]" 1
464 1 33 GLN H 1 33 GLN QB . . 3.600 2.120 2.120 2.120 . 0 0 "[ ]" 1
465 1 33 GLN H 1 33 GLN QG . . 4.800 3.861 3.861 3.861 . 0 0 "[ ]" 1
466 1 33 GLN H 1 34 GLU H . . 2.800 2.850 2.850 2.850 0.050 1 0 "[ ]" 1
467 1 33 GLN H 1 35 LEU H . . 4.800 4.396 4.396 4.396 . 0 0 "[ ]" 1
468 1 33 GLN HA 1 34 GLU H . . 3.600 3.552 3.552 3.552 . 0 0 "[ ]" 1
469 1 33 GLN HA 1 36 ARG H . . 3.600 3.205 3.205 3.205 . 0 0 "[ ]" 1
470 1 33 GLN HA 1 36 ARG QB . . 4.800 2.040 2.040 2.040 . 0 0 "[ ]" 1
471 1 33 GLN HA 1 36 ARG QD . . 4.800 2.560 2.560 2.560 . 0 0 "[ ]" 1
472 1 33 GLN HA 1 36 ARG HE . . 4.800 4.855 4.855 4.855 0.055 1 0 "[ ]" 1
473 1 33 GLN HA 1 37 LYS H . . 4.800 4.446 4.446 4.446 . 0 0 "[ ]" 1
474 1 33 GLN QE 1 36 ARG QD . . 6.800 3.790 3.790 3.790 . 0 0 "[ ]" 1
475 1 33 GLN QE 1 36 ARG QG . . 6.800 4.614 4.614 4.614 . 0 0 "[ ]" 1
476 1 33 GLN QG 1 34 GLU H . . 5.800 4.269 4.269 4.269 . 0 0 "[ ]" 1
477 1 33 GLN QG 1 34 GLU HA . . 5.800 4.371 4.371 4.371 . 0 0 "[ ]" 1
478 1 34 GLU H 1 34 GLU HA . . 2.800 2.855 2.855 2.855 0.055 1 0 "[ ]" 1
479 1 34 GLU H 1 34 GLU HB2 . . 3.600 2.423 2.423 2.423 . 0 0 "[ ]" 1
480 1 34 GLU H 1 34 GLU HB3 . . 2.800 2.565 2.565 2.565 . 0 0 "[ ]" 1
481 1 34 GLU H 1 34 GLU QG . . 4.800 3.848 3.848 3.848 . 0 0 "[ ]" 1
482 1 34 GLU H 1 35 LEU H . . 2.800 2.493 2.493 2.493 . 0 0 "[ ]" 1
483 1 34 GLU H 1 35 LEU QB . . 5.800 4.223 4.223 4.223 . 0 0 "[ ]" 1
484 1 34 GLU H 1 36 ARG H . . 4.800 3.760 3.760 3.760 . 0 0 "[ ]" 1
485 1 34 GLU HA 1 35 LEU H . . 3.600 3.523 3.523 3.523 . 0 0 "[ ]" 1
486 1 34 GLU HA 1 37 LYS H . . 3.600 3.427 3.427 3.427 . 0 0 "[ ]" 1
487 1 34 GLU HA 1 37 LYS QB . . 4.800 3.330 3.330 3.330 . 0 0 "[ ]" 1
488 1 34 GLU HA 1 37 LYS QE . . 5.800 4.235 4.235 4.235 . 0 0 "[ ]" 1
489 1 34 GLU HA 1 38 CYS H . . 4.800 4.277 4.277 4.277 . 0 0 "[ ]" 1
490 1 34 GLU HB2 1 35 LEU H . . 4.800 3.806 3.806 3.806 . 0 0 "[ ]" 1
491 1 34 GLU HB3 1 35 LEU H . . 3.600 2.632 2.632 2.632 . 0 0 "[ ]" 1
492 1 34 GLU QG 1 35 LEU H . . 4.800 3.969 3.969 3.969 . 0 0 "[ ]" 1
493 1 34 GLU QG 1 37 LYS H . . 5.800 4.570 4.570 4.570 . 0 0 "[ ]" 1
494 1 35 LEU H 1 35 LEU HA . . 2.800 2.868 2.868 2.868 0.068 1 0 "[ ]" 1
495 1 35 LEU H 1 35 LEU QB . . 3.800 2.163 2.163 2.163 . 0 0 "[ ]" 1
496 1 35 LEU H 1 35 LEU QD . . 5.200 3.711 3.711 3.711 . 0 0 "[ ]" 1
497 1 35 LEU H 1 35 LEU HG . . 4.800 3.547 3.547 3.547 . 0 0 "[ ]" 1
498 1 35 LEU H 1 36 ARG H . . 2.800 2.495 2.495 2.495 . 0 0 "[ ]" 1
499 1 35 LEU H 1 37 LYS H . . 4.800 4.537 4.537 4.537 . 0 0 "[ ]" 1
500 1 35 LEU H 1 53 PHE CZ . . 6.000 4.512 4.512 4.512 . 0 0 "[ ]" 1
501 1 35 LEU H 1 53 PHE HZ . . 4.800 3.994 3.994 3.994 . 0 0 "[ ]" 1
502 1 35 LEU HA 1 36 ARG H . . 3.600 3.465 3.465 3.465 . 0 0 "[ ]" 1
503 1 35 LEU HA 1 38 CYS H . . 3.600 3.513 3.513 3.513 . 0 0 "[ ]" 1
504 1 35 LEU HA 1 39 CYS H . . 4.800 3.842 3.842 3.842 . 0 0 "[ ]" 1
505 1 35 LEU HA 1 53 PHE CG . . 7.200 5.788 5.788 5.788 . 0 0 "[ ]" 1
506 1 35 LEU HA 1 53 PHE CZ . . 7.200 5.184 5.184 5.184 . 0 0 "[ ]" 1
507 1 35 LEU QB 1 36 ARG H . . 4.800 2.856 2.856 2.856 . 0 0 "[ ]" 1
508 1 35 LEU QB 1 53 PHE CG . . 7.000 3.163 3.163 3.163 . 0 0 "[ ]" 1
509 1 35 LEU QB 1 53 PHE CZ . . 7.000 2.448 2.448 2.448 . 0 0 "[ ]" 1
510 1 35 LEU QB 1 53 PHE HZ . . 5.800 2.560 2.560 2.560 . 0 0 "[ ]" 1
511 1 35 LEU QD 1 36 ARG H . . 6.200 4.175 4.175 4.175 . 0 0 "[ ]" 1
512 1 35 LEU QD 1 39 CYS H . . 6.200 3.896 3.896 3.896 . 0 0 "[ ]" 1
513 1 35 LEU QD 1 53 PHE CG . . 8.400 2.958 2.958 2.958 . 0 0 "[ ]" 1
514 1 35 LEU QD 1 53 PHE CZ . . 8.400 3.004 3.004 3.004 . 0 0 "[ ]" 1
515 1 35 LEU QD 1 53 PHE HZ . . 7.200 3.298 3.298 3.298 . 0 0 "[ ]" 1
516 1 35 LEU HG 1 53 PHE CG . . 7.200 5.686 5.686 5.686 . 0 0 "[ ]" 1
517 1 35 LEU HG 1 53 PHE CZ . . 7.200 4.897 4.897 4.897 . 0 0 "[ ]" 1
518 1 35 LEU HG 1 53 PHE HZ . . 4.800 4.937 4.937 4.937 0.137 1 0 "[ ]" 1
519 1 36 ARG H 1 36 ARG HA . . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
520 1 36 ARG H 1 36 ARG QB . . 3.800 1.894 1.894 1.894 . 0 0 "[ ]" 1
521 1 36 ARG H 1 36 ARG QD . . 5.800 3.213 3.213 3.213 . 0 0 "[ ]" 1
522 1 36 ARG H 1 36 ARG QG . . 4.800 3.772 3.772 3.772 . 0 0 "[ ]" 1
523 1 36 ARG H 1 37 LYS H . . 2.800 2.811 2.811 2.811 0.011 1 0 "[ ]" 1
524 1 36 ARG H 1 38 CYS H . . 4.800 3.945 3.945 3.945 . 0 0 "[ ]" 1
525 1 36 ARG H 1 53 PHE CZ . . 7.200 3.820 3.820 3.820 . 0 0 "[ ]" 1
526 1 36 ARG H 1 53 PHE HZ . . 4.800 3.532 3.532 3.532 . 0 0 "[ ]" 1
527 1 36 ARG HA 1 37 LYS H . . 3.600 3.490 3.490 3.490 . 0 0 "[ ]" 1
528 1 36 ARG HA 1 38 CYS H . . 4.800 4.450 4.450 4.450 . 0 0 "[ ]" 1
529 1 36 ARG HA 1 39 CYS H . . 3.600 3.444 3.444 3.444 . 0 0 "[ ]" 1
530 1 36 ARG HA 1 40 ALA H . . 4.800 3.839 3.839 3.839 . 0 0 "[ ]" 1
531 1 36 ARG HA 1 53 PHE CG . . 6.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
532 1 36 ARG HA 1 53 PHE CZ . . 6.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
533 1 36 ARG HA 1 53 PHE HZ . . 4.800 4.498 4.498 4.498 . 0 0 "[ ]" 1
534 1 36 ARG QB 1 39 CYS H . . 5.800 4.785 4.785 4.785 . 0 0 "[ ]" 1
535 1 36 ARG QB 1 53 PHE HZ . . 5.800 3.872 3.872 3.872 . 0 0 "[ ]" 1
536 1 36 ARG QD 1 37 LYS H . . 5.800 4.722 4.722 4.722 . 0 0 "[ ]" 1
537 1 36 ARG QD 1 53 PHE CG . . 7.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
538 1 36 ARG QD 1 53 PHE CZ . . 7.000 3.130 3.130 3.130 . 0 0 "[ ]" 1
539 1 36 ARG QD 1 53 PHE HZ . . 5.800 2.840 2.840 2.840 . 0 0 "[ ]" 1
540 1 36 ARG HE 1 60 ASN QD . . 5.800 4.762 4.762 4.762 . 0 0 "[ ]" 1
541 1 36 ARG QG 1 37 LYS H . . 4.800 3.862 3.862 3.862 . 0 0 "[ ]" 1
542 1 36 ARG QG 1 53 PHE CG . . 7.000 5.388 5.388 5.388 . 0 0 "[ ]" 1
543 1 36 ARG QG 1 53 PHE CZ . . 7.000 4.789 4.789 4.789 . 0 0 "[ ]" 1
544 1 36 ARG QG 1 53 PHE HZ . . 5.800 4.820 4.820 4.820 . 0 0 "[ ]" 1
545 1 37 LYS H 1 37 LYS HA . . 2.800 2.841 2.841 2.841 0.041 1 0 "[ ]" 1
546 1 37 LYS H 1 37 LYS QD . . 4.800 3.782 3.782 3.782 . 0 0 "[ ]" 1
547 1 37 LYS H 1 37 LYS QG . . 4.800 2.024 2.024 2.024 . 0 0 "[ ]" 1
548 1 37 LYS H 1 38 CYS H . . 2.800 2.750 2.750 2.750 . 0 0 "[ ]" 1
549 1 37 LYS H 1 39 CYS H . . 4.800 4.160 4.160 4.160 . 0 0 "[ ]" 1
550 1 37 LYS HA 1 38 CYS H . . 3.600 3.569 3.569 3.569 . 0 0 "[ ]" 1
551 1 37 LYS HA 1 39 CYS H . . 4.800 4.474 4.474 4.474 . 0 0 "[ ]" 1
552 1 37 LYS HA 1 40 ALA H . . 3.600 3.658 3.658 3.658 0.058 1 0 "[ ]" 1
553 1 37 LYS HA 1 40 ALA MB . . 4.800 2.862 2.862 2.862 . 0 0 "[ ]" 1
554 1 37 LYS QB 1 38 CYS H . . 4.800 2.638 2.638 2.638 . 0 0 "[ ]" 1
555 1 37 LYS QD 1 38 CYS H . . 5.800 4.630 4.630 4.630 . 0 0 "[ ]" 1
556 1 37 LYS QG 1 38 CYS H . . 5.800 4.020 4.020 4.020 . 0 0 "[ ]" 1
557 1 38 CYS H 1 39 CYS H . . 2.800 2.673 2.673 2.673 . 0 0 "[ ]" 1
558 1 39 CYS H 1 40 ALA H . . 2.800 2.642 2.642 2.642 . 0 0 "[ ]" 1
559 1 39 CYS H 1 40 ALA MB . . 5.800 4.300 4.300 4.300 . 0 0 "[ ]" 1
560 1 39 CYS H 1 41 GLN H . . 4.800 4.144 4.144 4.144 . 0 0 "[ ]" 1
561 1 39 CYS H 1 42 TYR CG . . 7.200 7.009 7.009 7.009 . 0 0 "[ ]" 1
562 1 40 ALA H 1 40 ALA HA . . 2.800 2.850 2.850 2.850 0.050 1 0 "[ ]" 1
563 1 40 ALA H 1 41 GLN H . . 2.800 2.909 2.909 2.909 0.109 1 0 "[ ]" 1
564 1 40 ALA H 1 41 GLN HB2 . . 4.800 4.565 4.565 4.565 . 0 0 "[ ]" 1
565 1 40 ALA H 1 42 TYR CG . . 7.200 6.630 6.630 6.630 . 0 0 "[ ]" 1
566 1 40 ALA H 1 42 TYR H . . 4.800 4.334 4.334 4.334 . 0 0 "[ ]" 1
567 1 40 ALA HA 1 41 GLN H . . 3.600 3.374 3.374 3.374 . 0 0 "[ ]" 1
568 1 40 ALA HA 1 42 TYR CG . . 7.200 6.240 6.240 6.240 . 0 0 "[ ]" 1
569 1 40 ALA HA 1 42 TYR H . . 4.800 3.120 3.120 3.120 . 0 0 "[ ]" 1
570 1 40 ALA HA 1 54 GLU QG . . 5.800 4.745 4.745 4.745 . 0 0 "[ ]" 1
571 1 41 GLN H 1 41 GLN HA . . 2.800 2.886 2.886 2.886 0.086 1 0 "[ ]" 1
572 1 41 GLN H 1 41 GLN HB2 . . 3.600 2.090 2.090 2.090 . 0 0 "[ ]" 1
573 1 41 GLN H 1 41 GLN HB3 . . 2.800 2.827 2.827 2.827 0.027 1 0 "[ ]" 1
574 1 41 GLN H 1 41 GLN QG . . 4.800 3.787 3.787 3.787 . 0 0 "[ ]" 1
575 1 41 GLN H 1 42 TYR CG . . 5.200 4.165 4.165 4.165 . 0 0 "[ ]" 1
576 1 41 GLN H 1 42 TYR CZ . . 6.000 5.121 5.121 5.121 . 0 0 "[ ]" 1
577 1 41 GLN H 1 42 TYR H . . 2.800 2.357 2.357 2.357 . 0 0 "[ ]" 1
578 1 41 GLN H 1 42 TYR HA . . 4.800 4.901 4.901 4.901 0.101 1 0 "[ ]" 1
579 1 41 GLN HA 1 41 GLN HB2 . . 2.800 2.801 2.801 2.801 0.001 1 0 "[ ]" 1
580 1 41 GLN HA 1 42 TYR CG . . 7.200 4.994 4.994 4.994 . 0 0 "[ ]" 1
581 1 41 GLN HA 1 42 TYR CZ . . 7.200 5.638 5.638 5.638 . 0 0 "[ ]" 1
582 1 41 GLN HA 1 42 TYR H . . 3.600 3.485 3.485 3.485 . 0 0 "[ ]" 1
583 1 41 GLN HB2 1 42 TYR CG . . 5.200 4.164 4.164 4.164 . 0 0 "[ ]" 1
584 1 41 GLN HB2 1 42 TYR CZ . . 6.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
585 1 41 GLN HB2 1 42 TYR H . . 4.800 3.813 3.813 3.813 . 0 0 "[ ]" 1
586 1 41 GLN HB3 1 42 TYR CG . . 6.000 2.768 2.768 2.768 . 0 0 "[ ]" 1
587 1 41 GLN HB3 1 42 TYR CZ . . 5.200 2.741 2.741 2.741 . 0 0 "[ ]" 1
588 1 41 GLN HB3 1 42 TYR H . . 3.600 3.378 3.378 3.378 . 0 0 "[ ]" 1
589 1 41 GLN QG 1 42 TYR CG . . 7.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
590 1 41 GLN QG 1 42 TYR CZ . . 6.800 3.727 3.727 3.727 . 0 0 "[ ]" 1
591 1 42 TYR CG 1 43 PRO QD . . 6.200 3.708 3.708 3.708 . 0 0 "[ ]" 1
592 1 42 TYR CG 1 46 ARG QG . . 6.200 2.840 2.840 2.840 . 0 0 "[ ]" 1
593 1 42 TYR CZ 1 43 PRO QD . . 8.200 5.968 5.968 5.968 . 0 0 "[ ]" 1
594 1 42 TYR H 1 42 TYR HA . . 2.800 2.907 2.907 2.907 0.107 1 0 "[ ]" 1
595 1 42 TYR H 1 42 TYR HB2 . . 3.600 2.604 2.604 2.604 . 0 0 "[ ]" 1
596 1 42 TYR HA 1 42 TYR HB3 . . 2.800 2.416 2.416 2.416 . 0 0 "[ ]" 1
597 1 42 TYR HA 1 43 PRO QD . . 3.800 2.210 2.210 2.210 . 0 0 "[ ]" 1
598 1 42 TYR HA 1 43 PRO QG . . 5.800 4.150 4.150 4.150 . 0 0 "[ ]" 1
599 1 42 TYR HA 1 46 ARG QB . . 5.800 4.716 4.716 4.716 . 0 0 "[ ]" 1
600 1 42 TYR HA 1 46 ARG QD . . 5.800 4.647 4.647 4.647 . 0 0 "[ ]" 1
601 1 42 TYR HA 1 46 ARG QG . . 5.800 4.349 4.349 4.349 . 0 0 "[ ]" 1
602 1 42 TYR HB2 1 43 PRO QD . . 5.800 3.411 3.411 3.411 . 0 0 "[ ]" 1
603 1 42 TYR HB2 1 46 ARG QB . . 5.800 3.729 3.729 3.729 . 0 0 "[ ]" 1
604 1 42 TYR HB2 1 46 ARG QG . . 5.800 2.285 2.285 2.285 . 0 0 "[ ]" 1
605 1 42 TYR HB3 1 43 PRO QD . . 5.800 2.010 2.010 2.010 . 0 0 "[ ]" 1
606 1 42 TYR HB3 1 46 ARG H . . 4.800 4.305 4.305 4.305 . 0 0 "[ ]" 1
607 1 43 PRO HA 1 44 LYS H . . 2.800 2.293 2.293 2.293 . 0 0 "[ ]" 1
608 1 43 PRO HA 1 44 LYS HA . . 4.800 4.394 4.394 4.394 . 0 0 "[ ]" 1
609 1 43 PRO QD 1 46 ARG H . . 5.800 4.423 4.423 4.423 . 0 0 "[ ]" 1
610 1 44 LYS H 1 44 LYS HA . . 2.800 2.735 2.735 2.735 . 0 0 "[ ]" 1
611 1 44 LYS H 1 44 LYS QB . . 3.800 2.574 2.574 2.574 . 0 0 "[ ]" 1
612 1 44 LYS H 1 44 LYS QD . . 4.800 3.746 3.746 3.746 . 0 0 "[ ]" 1
613 1 44 LYS H 1 44 LYS QG . . 4.800 2.113 2.113 2.113 . 0 0 "[ ]" 1
614 1 44 LYS H 1 45 GLY H . . 3.600 3.040 3.040 3.040 . 0 0 "[ ]" 1
615 1 44 LYS H 1 46 ARG H . . 4.800 4.517 4.517 4.517 . 0 0 "[ ]" 1
616 1 44 LYS HA 1 45 GLY H . . 3.600 3.512 3.512 3.512 . 0 0 "[ ]" 1
617 1 44 LYS HA 1 46 ARG H . . 3.600 3.627 3.627 3.627 0.027 1 0 "[ ]" 1
618 1 44 LYS QB 1 45 GLY H . . 5.800 3.598 3.598 3.598 . 0 0 "[ ]" 1
619 1 44 LYS QD 1 45 GLY H . . 5.800 2.603 2.603 2.603 . 0 0 "[ ]" 1
620 1 44 LYS QG 1 45 GLY H . . 5.800 2.878 2.878 2.878 . 0 0 "[ ]" 1
621 1 45 GLY H 1 46 ARG H . . 2.800 2.838 2.838 2.838 0.038 1 0 "[ ]" 1
622 1 45 GLY H 1 47 SER H . . 4.800 4.489 4.489 4.489 . 0 0 "[ ]" 1
623 1 46 ARG H 1 46 ARG HA . . 2.800 2.868 2.868 2.868 0.068 1 0 "[ ]" 1
624 1 46 ARG H 1 46 ARG QB . . 3.800 2.161 2.161 2.161 . 0 0 "[ ]" 1
625 1 46 ARG H 1 46 ARG QD . . 5.800 4.697 4.697 4.697 . 0 0 "[ ]" 1
626 1 46 ARG H 1 46 ARG QG . . 4.800 3.110 3.110 3.110 . 0 0 "[ ]" 1
627 1 46 ARG H 1 47 SER H . . 2.800 2.704 2.704 2.704 . 0 0 "[ ]" 1
628 1 46 ARG HA 1 47 SER H . . 3.600 3.499 3.499 3.499 . 0 0 "[ ]" 1
629 1 46 ARG QG 1 47 SER H . . 5.800 3.080 3.080 3.080 . 0 0 "[ ]" 1
630 1 47 SER H 1 47 SER HA . . 2.800 2.896 2.896 2.896 0.096 1 0 "[ ]" 1
631 1 47 SER H 1 47 SER HB2 . . 3.600 3.552 3.552 3.552 . 0 0 "[ ]" 1
632 1 47 SER H 1 47 SER HB3 . . 3.600 2.719 2.719 2.719 . 0 0 "[ ]" 1
633 1 47 SER H 1 48 VAL H . . 4.800 4.253 4.253 4.253 . 0 0 "[ ]" 1
634 1 47 SER HA 1 48 VAL H . . 3.600 2.107 2.107 2.107 . 0 0 "[ ]" 1
635 1 47 SER HA 1 49 VAL H . . 4.800 4.255 4.255 4.255 . 0 0 "[ ]" 1
636 1 47 SER HA 1 50 CYS H . . 4.800 4.564 4.564 4.564 . 0 0 "[ ]" 1
637 1 47 SER HB2 1 47 SER HG . . 2.800 2.058 2.058 2.058 . 0 0 "[ ]" 1
638 1 47 SER HB2 1 48 VAL H . . 3.600 3.685 3.685 3.685 0.085 1 0 "[ ]" 1
639 1 47 SER HB3 1 48 VAL H . . 4.800 4.183 4.183 4.183 . 0 0 "[ ]" 1
640 1 47 SER HB3 1 50 CYS H . . 4.800 3.346 3.346 3.346 . 0 0 "[ ]" 1
641 1 47 SER HG 1 48 VAL H . . 4.800 3.127 3.127 3.127 . 0 0 "[ ]" 1
642 1 47 SER HG 1 49 VAL H . . 3.600 3.059 3.059 3.059 . 0 0 "[ ]" 1
643 1 47 SER HG 1 49 VAL MG1 . . 5.800 3.575 3.575 3.575 . 0 0 "[ ]" 1
644 1 47 SER HG 1 49 VAL MG2 . . 5.800 2.259 2.259 2.259 . 0 0 "[ ]" 1
645 1 47 SER HG 1 50 CYS H . . 4.800 2.790 2.790 2.790 . 0 0 "[ ]" 1
646 1 48 VAL H 1 48 VAL HA . . 2.800 2.875 2.875 2.875 0.075 1 0 "[ ]" 1
647 1 48 VAL H 1 48 VAL HB . . 2.800 2.725 2.725 2.725 . 0 0 "[ ]" 1
648 1 48 VAL H 1 49 VAL H . . 2.800 2.586 2.586 2.586 . 0 0 "[ ]" 1
649 1 48 VAL H 1 50 CYS H . . 4.800 4.017 4.017 4.017 . 0 0 "[ ]" 1
650 1 48 VAL H 1 51 SER H . . 4.800 4.529 4.529 4.529 . 0 0 "[ ]" 1
651 1 48 VAL HA 1 49 VAL H . . 3.600 3.624 3.624 3.624 0.024 1 0 "[ ]" 1
652 1 48 VAL HA 1 50 CYS H . . 4.800 4.664 4.664 4.664 . 0 0 "[ ]" 1
653 1 48 VAL HA 1 51 SER H . . 3.600 3.494 3.494 3.494 . 0 0 "[ ]" 1
654 1 48 VAL HA 1 51 SER QB . . 4.800 2.689 2.689 2.689 . 0 0 "[ ]" 1
655 1 48 VAL HA 1 52 GLY H . . 4.800 4.686 4.686 4.686 . 0 0 "[ ]" 1
656 1 48 VAL HB 1 49 VAL H . . 3.600 2.470 2.470 2.470 . 0 0 "[ ]" 1
657 1 48 VAL MG1 1 49 VAL H . . 5.800 3.646 3.646 3.646 . 0 0 "[ ]" 1
658 1 48 VAL MG1 1 51 SER H . . 5.800 4.622 4.622 4.622 . 0 0 "[ ]" 1
659 1 48 VAL MG2 1 49 VAL H . . 5.800 3.596 3.596 3.596 . 0 0 "[ ]" 1
660 1 49 VAL H 1 49 VAL HA . . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1
661 1 49 VAL H 1 49 VAL HB . . 3.600 3.565 3.565 3.565 . 0 0 "[ ]" 1
662 1 49 VAL H 1 49 VAL MG1 . . 4.800 1.955 1.955 1.955 . 0 0 "[ ]" 1
663 1 49 VAL H 1 49 VAL MG2 . . 4.800 2.416 2.416 2.416 . 0 0 "[ ]" 1
664 1 49 VAL H 1 50 CYS H . . 2.800 2.774 2.774 2.774 . 0 0 "[ ]" 1
665 1 49 VAL H 1 51 SER H . . 4.800 4.003 4.003 4.003 . 0 0 "[ ]" 1
666 1 49 VAL HA 1 49 VAL HB . . 2.800 2.324 2.324 2.324 . 0 0 "[ ]" 1
667 1 49 VAL HA 1 50 CYS H . . 3.600 3.601 3.601 3.601 0.001 1 0 "[ ]" 1
668 1 49 VAL HA 1 52 GLY H . . 3.600 3.103 3.103 3.103 . 0 0 "[ ]" 1
669 1 49 VAL HB 1 50 CYS H . . 4.800 3.980 3.980 3.980 . 0 0 "[ ]" 1
670 1 49 VAL MG1 1 50 CYS H . . 5.800 3.774 3.774 3.774 . 0 0 "[ ]" 1
671 1 49 VAL MG2 1 50 CYS H . . 4.800 2.171 2.171 2.171 . 0 0 "[ ]" 1
672 1 49 VAL MG2 1 51 SER H . . 5.800 4.284 4.284 4.284 . 0 0 "[ ]" 1
673 1 49 VAL MG2 1 52 GLY H . . 5.800 4.666 4.666 4.666 . 0 0 "[ ]" 1
674 1 50 CYS H 1 51 SER H . . 2.800 2.657 2.657 2.657 . 0 0 "[ ]" 1
675 1 50 CYS H 1 51 SER QB . . 5.800 4.702 4.702 4.702 . 0 0 "[ ]" 1
676 1 50 CYS H 1 52 GLY H . . 4.800 3.990 3.990 3.990 . 0 0 "[ ]" 1
677 1 51 SER H 1 51 SER HA . . 2.800 2.859 2.859 2.859 0.059 1 0 "[ ]" 1
678 1 51 SER H 1 52 GLY H . . 2.800 2.578 2.578 2.578 . 0 0 "[ ]" 1
679 1 51 SER HA 1 52 GLY H . . 3.600 3.560 3.560 3.560 . 0 0 "[ ]" 1
680 1 51 SER HA 1 54 GLU H . . 4.800 3.675 3.675 3.675 . 0 0 "[ ]" 1
681 1 51 SER HA 1 54 GLU QB . . 4.800 3.699 3.699 3.699 . 0 0 "[ ]" 1
682 1 51 SER HA 1 54 GLU QG . . 5.800 4.096 4.096 4.096 . 0 0 "[ ]" 1
683 1 52 GLY H 1 53 PHE CG . . 7.200 5.693 5.693 5.693 . 0 0 "[ ]" 1
684 1 52 GLY H 1 53 PHE H . . 2.800 2.250 2.250 2.250 . 0 0 "[ ]" 1
685 1 52 GLY QA 1 53 PHE CG . . 7.000 5.196 5.196 5.196 . 0 0 "[ ]" 1
686 1 52 GLY QA 1 54 GLU H . . 5.800 4.627 4.627 4.627 . 0 0 "[ ]" 1
687 1 52 GLY QA 1 55 LYS H . . 4.800 3.764 3.764 3.764 . 0 0 "[ ]" 1
688 1 52 GLY QA 1 55 LYS QB . . 5.800 3.456 3.456 3.456 . 0 0 "[ ]" 1
689 1 52 GLY QA 1 56 GLU H . . 5.800 4.208 4.208 4.208 . 0 0 "[ ]" 1
690 1 53 PHE CG 1 54 GLU H . . 6.000 4.205 4.205 4.205 . 0 0 "[ ]" 1
691 1 53 PHE CG 1 54 GLU QG . . 7.000 5.009 5.009 5.009 . 0 0 "[ ]" 1
692 1 53 PHE H 1 53 PHE HA . . 2.800 2.782 2.782 2.782 . 0 0 "[ ]" 1
693 1 53 PHE H 1 53 PHE HB2 . . 3.600 2.010 2.010 2.010 . 0 0 "[ ]" 1
694 1 53 PHE H 1 53 PHE HB3 . . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1
695 1 53 PHE H 1 54 GLU H . . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1
696 1 53 PHE HA 1 54 GLU H . . 3.600 3.537 3.537 3.537 . 0 0 "[ ]" 1
697 1 53 PHE HA 1 55 LYS H . . 4.800 3.776 3.776 3.776 . 0 0 "[ ]" 1
698 1 53 PHE HA 1 56 GLU H . . 3.600 2.737 2.737 2.737 . 0 0 "[ ]" 1
699 1 53 PHE HA 1 56 GLU QB . . 4.800 2.015 2.015 2.015 . 0 0 "[ ]" 1
700 1 53 PHE HA 1 57 GLU H . . 4.800 4.318 4.318 4.318 . 0 0 "[ ]" 1
701 1 53 PHE HB2 1 54 GLU H . . 3.600 3.511 3.511 3.511 . 0 0 "[ ]" 1
702 1 53 PHE HB3 1 54 GLU H . . 3.600 2.502 2.502 2.502 . 0 0 "[ ]" 1
703 1 53 PHE HZ 1 56 GLU QB . . 5.800 4.804 4.804 4.804 . 0 0 "[ ]" 1
704 1 54 GLU H 1 54 GLU HA . . 2.800 2.864 2.864 2.864 0.064 1 0 "[ ]" 1
705 1 54 GLU H 1 54 GLU QB . . 3.800 2.583 2.583 2.583 . 0 0 "[ ]" 1
706 1 54 GLU H 1 54 GLU QG . . 4.800 2.397 2.397 2.397 . 0 0 "[ ]" 1
707 1 54 GLU H 1 55 LYS H . . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
708 1 54 GLU HA 1 55 LYS H . . 3.600 3.534 3.534 3.534 . 0 0 "[ ]" 1
709 1 54 GLU HA 1 57 GLU QB . . 4.800 2.675 2.675 2.675 . 0 0 "[ ]" 1
710 1 54 GLU QG 1 55 LYS H . . 5.800 4.387 4.387 4.387 . 0 0 "[ ]" 1
711 1 55 LYS H 1 55 LYS HA . . 2.800 2.888 2.888 2.888 0.088 1 0 "[ ]" 1
712 1 55 LYS H 1 56 GLU H . . 2.800 2.469 2.469 2.469 . 0 0 "[ ]" 1
713 1 55 LYS H 1 57 GLU H . . 4.800 3.978 3.978 3.978 . 0 0 "[ ]" 1
714 1 55 LYS HA 1 56 GLU H . . 3.600 3.516 3.516 3.516 . 0 0 "[ ]" 1
715 1 55 LYS HA 1 57 GLU H . . 4.800 3.877 3.877 3.877 . 0 0 "[ ]" 1
716 1 55 LYS HA 1 58 GLU H . . 3.600 2.757 2.757 2.757 . 0 0 "[ ]" 1
717 1 55 LYS HA 1 58 GLU QB . . 4.800 2.483 2.483 2.483 . 0 0 "[ ]" 1
718 1 55 LYS HA 1 59 GLU H . . 4.800 4.150 4.150 4.150 . 0 0 "[ ]" 1
719 1 55 LYS QB 1 56 GLU H . . 4.800 3.622 3.622 3.622 . 0 0 "[ ]" 1
720 1 55 LYS QG 1 56 GLU H . . 5.800 2.835 2.835 2.835 . 0 0 "[ ]" 1
721 1 56 GLU H 1 56 GLU HA . . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1
722 1 56 GLU H 1 56 GLU QB . . 3.800 1.996 1.996 1.996 . 0 0 "[ ]" 1
723 1 56 GLU H 1 57 GLU H . . 2.800 2.669 2.669 2.669 . 0 0 "[ ]" 1
724 1 56 GLU HA 1 57 GLU H . . 3.600 3.465 3.465 3.465 . 0 0 "[ ]" 1
725 1 56 GLU HA 1 59 GLU H . . 3.600 3.239 3.239 3.239 . 0 0 "[ ]" 1
726 1 56 GLU HA 1 59 GLU QB . . 4.800 2.324 2.324 2.324 . 0 0 "[ ]" 1
727 1 56 GLU QB 1 57 GLU H . . 3.800 2.955 2.955 2.955 . 0 0 "[ ]" 1
728 1 56 GLU QB 1 60 ASN QD . . 5.800 3.683 3.683 3.683 . 0 0 "[ ]" 1
729 1 56 GLU QG 1 57 GLU H . . 5.800 2.401 2.401 2.401 . 0 0 "[ ]" 1
730 1 56 GLU QG 1 60 ASN QD . . 5.800 3.199 3.199 3.199 . 0 0 "[ ]" 1
731 1 57 GLU H 1 57 GLU HA . . 2.800 2.828 2.828 2.828 0.028 1 0 "[ ]" 1
732 1 57 GLU H 1 57 GLU QB . . 3.800 2.222 2.222 2.222 . 0 0 "[ ]" 1
733 1 57 GLU H 1 58 GLU H . . 2.800 2.846 2.846 2.846 0.046 1 0 "[ ]" 1
734 1 57 GLU HA 1 58 GLU H . . 3.600 3.532 3.532 3.532 . 0 0 "[ ]" 1
735 1 57 GLU HA 1 60 ASN H . . 3.600 3.436 3.436 3.436 . 0 0 "[ ]" 1
736 1 57 GLU HA 1 60 ASN QB . . 4.800 2.695 2.695 2.695 . 0 0 "[ ]" 1
737 1 57 GLU HA 1 60 ASN QD . . 4.800 3.179 3.179 3.179 . 0 0 "[ ]" 1
738 1 57 GLU QB 1 58 GLU H . . 3.800 2.788 2.788 2.788 . 0 0 "[ ]" 1
739 1 58 GLU H 1 58 GLU HA . . 2.800 2.892 2.892 2.892 0.092 1 0 "[ ]" 1
740 1 58 GLU H 1 58 GLU QB . . 3.800 2.179 2.179 2.179 . 0 0 "[ ]" 1
741 1 58 GLU H 1 59 GLU H . . 2.800 2.569 2.569 2.569 . 0 0 "[ ]" 1
742 1 58 GLU H 1 60 ASN H . . 4.800 3.934 3.934 3.934 . 0 0 "[ ]" 1
743 1 58 GLU HA 1 59 GLU H . . 3.600 3.597 3.597 3.597 . 0 0 "[ ]" 1
744 1 58 GLU HA 1 61 LEU H . . 3.600 3.635 3.635 3.635 0.035 1 0 "[ ]" 1
745 1 58 GLU HA 1 61 LEU QB . . 5.800 3.422 3.422 3.422 . 0 0 "[ ]" 1
746 1 58 GLU QB 1 59 GLU H . . 3.800 2.779 2.779 2.779 . 0 0 "[ ]" 1
747 1 59 GLU H 1 59 GLU HA . . 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 1
748 1 59 GLU H 1 59 GLU QB . . 3.800 2.214 2.214 2.214 . 0 0 "[ ]" 1
749 1 59 GLU H 1 60 ASN H . . 2.800 2.800 2.800 2.800 . 1 0 "[ ]" 1
750 1 59 GLU HA 1 60 ASN H . . 3.600 3.460 3.460 3.460 . 0 0 "[ ]" 1
751 1 59 GLU HA 1 60 ASN HA . . 4.800 4.835 4.835 4.835 0.035 1 0 "[ ]" 1
752 1 59 GLU HA 1 60 ASN QD . . 5.800 4.789 4.789 4.789 . 0 0 "[ ]" 1
753 1 59 GLU QB 1 60 ASN H . . 3.800 2.803 2.803 2.803 . 0 0 "[ ]" 1
754 1 59 GLU QG 1 60 ASN H . . 4.800 3.742 3.742 3.742 . 0 0 "[ ]" 1
755 1 59 GLU QG 1 60 ASN QD . . 5.800 3.696 3.696 3.696 . 0 0 "[ ]" 1
756 1 60 ASN H 1 60 ASN HA . . 2.800 2.836 2.836 2.836 0.036 1 0 "[ ]" 1
757 1 60 ASN H 1 60 ASN QB . . 3.800 2.271 2.271 2.271 . 0 0 "[ ]" 1
758 1 60 ASN H 1 61 LEU H . . 2.800 2.792 2.792 2.792 . 0 0 "[ ]" 1
759 1 60 ASN HA 1 61 LEU H . . 3.600 3.514 3.514 3.514 . 0 0 "[ ]" 1
760 1 60 ASN HA 1 62 THR H . . 4.800 3.523 3.523 3.523 . 0 0 "[ ]" 1
761 1 60 ASN HA 1 63 ARG H . . 3.600 3.296 3.296 3.296 . 0 0 "[ ]" 1
762 1 60 ASN HA 1 63 ARG QB . . 4.800 3.276 3.276 3.276 . 0 0 "[ ]" 1
763 1 60 ASN HA 1 64 LYS H . . 4.800 4.088 4.088 4.088 . 0 0 "[ ]" 1
764 1 60 ASN QB 1 61 LEU H . . 3.800 2.911 2.911 2.911 . 0 0 "[ ]" 1
765 1 60 ASN QB 1 63 ARG H . . 5.800 4.658 4.658 4.658 . 0 0 "[ ]" 1
766 1 61 LEU H 1 61 LEU HA . . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
767 1 61 LEU H 1 61 LEU QB . . 3.800 2.239 2.239 2.239 . 0 0 "[ ]" 1
768 1 61 LEU H 1 61 LEU QD . . 4.800 2.641 2.641 2.641 . 0 0 "[ ]" 1
769 1 61 LEU H 1 61 LEU HG . . 3.600 3.637 3.637 3.637 0.037 1 0 "[ ]" 1
770 1 61 LEU H 1 62 THR MG . . 5.800 4.375 4.375 4.375 . 0 0 "[ ]" 1
771 1 61 LEU HA 1 62 THR H . . 3.600 3.437 3.437 3.437 . 0 0 "[ ]" 1
772 1 61 LEU QD 1 62 THR H . . 6.200 2.240 2.240 2.240 . 0 0 "[ ]" 1
773 1 62 THR H 1 62 THR HA . . 2.800 2.847 2.847 2.847 0.047 1 0 "[ ]" 1
774 1 62 THR H 1 62 THR HB . . 3.600 3.551 3.551 3.551 . 0 0 "[ ]" 1
775 1 62 THR H 1 62 THR MG . . 4.800 2.334 2.334 2.334 . 0 0 "[ ]" 1
776 1 62 THR HA 1 63 ARG H . . 3.600 3.511 3.511 3.511 . 0 0 "[ ]" 1
777 1 62 THR HB 1 63 ARG H . . 3.600 3.041 3.041 3.041 . 0 0 "[ ]" 1
778 1 62 THR MG 1 63 ARG H . . 4.800 3.720 3.720 3.720 . 0 0 "[ ]" 1
779 1 63 ARG H 1 63 ARG HA . . 2.800 2.821 2.821 2.821 0.021 1 0 "[ ]" 1
780 1 63 ARG H 1 63 ARG QB . . 3.800 2.189 2.189 2.189 . 0 0 "[ ]" 1
781 1 63 ARG H 1 64 LYS H . . 3.600 2.757 2.757 2.757 . 0 0 "[ ]" 1
782 1 63 ARG HA 1 64 LYS H . . 3.600 3.511 3.511 3.511 . 0 0 "[ ]" 1
783 1 63 ARG QB 1 64 LYS H . . 3.800 2.479 2.479 2.479 . 0 0 "[ ]" 1
784 1 64 LYS H 1 64 LYS HA . . 2.800 2.643 2.643 2.643 . 0 0 "[ ]" 1
785 1 64 LYS H 1 64 LYS QB . . 3.800 3.197 3.197 3.197 . 0 0 "[ ]" 1
786 1 64 LYS HA 1 65 SER H . . 2.800 2.233 2.233 2.233 . 0 0 "[ ]" 1
787 1 64 LYS QG 1 65 SER H . . 5.800 3.804 3.804 3.804 . 0 0 "[ ]" 1
788 1 65 SER H 1 65 SER HA . . 2.800 2.724 2.724 2.724 . 0 0 "[ ]" 1
789 1 65 SER HA 1 66 ALA H . . 2.800 3.091 3.091 3.091 0.291 1 0 "[ ]" 1
790 1 65 SER QB 1 66 ALA H . . 3.800 2.857 2.857 2.857 . 0 0 "[ ]" 1
791 1 66 ALA H 1 66 ALA HA . . 2.800 2.924 2.924 2.924 0.124 1 0 "[ ]" 1
792 1 66 ALA HA 1 67 SER H . . 2.800 2.338 2.338 2.338 . 0 0 "[ ]" 1
793 1 67 SER H 1 67 SER HA . . 2.800 2.893 2.893 2.893 0.093 1 0 "[ ]" 1
794 1 67 SER H 1 67 SER QB . . 3.800 2.745 2.745 2.745 . 0 0 "[ ]" 1
795 1 67 SER HA 1 68 LYS H . . 2.800 2.839 2.839 2.839 0.039 1 0 "[ ]" 1
796 1 68 LYS H 1 68 LYS HA . . 2.800 2.904 2.904 2.904 0.104 1 0 "[ ]" 1
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