NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377251 |
1g2s   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g2s
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 925
_Distance_constraint_stats_list.Viol_count 47
_Distance_constraint_stats_list.Viol_total 1.534
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0092
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0326
_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 2 ARG 0.000 0.000 . 0 "[ ]"
1 3 GLY 0.000 0.000 . 0 "[ ]"
1 4 SER 0.000 0.000 . 0 "[ ]"
1 5 ASP 0.000 0.000 . 0 "[ ]"
1 6 ILE 0.002 0.001 1 0 "[ ]"
1 7 SER 0.065 0.064 1 0 "[ ]"
1 8 LYS 0.008 0.008 1 0 "[ ]"
1 9 THR 0.000 0.000 . 0 "[ ]"
1 10 CYS 0.040 0.040 1 0 "[ ]"
1 11 CYS 0.000 0.000 . 0 "[ ]"
1 12 PHE 0.037 0.037 1 0 "[ ]"
1 13 GLN 0.016 0.016 1 0 "[ ]"
1 14 TYR 0.089 0.089 1 0 "[ ]"
1 15 SER 0.020 0.020 1 0 "[ ]"
1 16 HIS 0.000 0.000 . 0 "[ ]"
1 17 LYS 0.010 0.010 1 0 "[ ]"
1 18 PRO 0.010 0.010 1 0 "[ ]"
1 19 LEU 0.000 0.000 . 0 "[ ]"
1 20 PRO 0.000 0.000 . 0 "[ ]"
1 21 TRP 0.010 0.010 1 0 "[ ]"
1 22 THR 0.038 0.038 1 0 "[ ]"
1 23 TRP 0.117 0.081 1 0 "[ ]"
1 24 VAL 0.097 0.059 1 0 "[ ]"
1 25 ARG 0.013 0.013 1 0 "[ ]"
1 26 SER 0.080 0.038 1 0 "[ ]"
1 27 TYR 0.027 0.022 1 0 "[ ]"
1 28 GLU 0.012 0.012 1 0 "[ ]"
1 29 PHE 0.000 0.000 . 0 "[ ]"
1 30 THR 0.000 0.000 . 0 "[ ]"
1 31 SER 0.033 0.033 1 0 "[ ]"
1 32 ASN 0.000 0.000 . 0 "[ ]"
1 33 SER 0.003 0.003 1 0 "[ ]"
1 34 CYS 0.003 0.003 1 0 "[ ]"
1 35 SER 0.000 0.000 . 0 "[ ]"
1 36 GLN 0.000 0.000 . 0 "[ ]"
1 37 ARG 0.000 0.000 . 0 "[ ]"
1 38 ALA 0.050 0.050 1 0 "[ ]"
1 39 VAL 0.012 0.012 1 0 "[ ]"
1 40 ILE 0.012 0.012 1 0 "[ ]"
1 41 PHE 0.020 0.020 1 0 "[ ]"
1 42 THR 0.144 0.070 1 0 "[ ]"
1 43 THR 0.000 0.000 . 0 "[ ]"
1 44 LYS 0.036 0.036 1 0 "[ ]"
1 45 ARG 0.000 0.000 . 0 "[ ]"
1 46 GLY 0.000 0.000 . 0 "[ ]"
1 47 LYS 0.071 0.071 1 0 "[ ]"
1 48 LYS 0.000 0.000 . 0 "[ ]"
1 49 VAL 0.028 0.020 1 0 "[ ]"
1 50 CYS 0.030 0.030 1 0 "[ ]"
1 51 THR 0.000 0.000 . 0 "[ ]"
1 52 HIS 0.067 0.067 1 0 "[ ]"
1 53 PRO 0.034 0.022 1 0 "[ ]"
1 54 ARG 0.000 0.000 . 0 "[ ]"
1 55 LYS 0.009 0.009 1 0 "[ ]"
1 56 LYS 0.000 0.000 . 0 "[ ]"
1 57 TRP 0.060 0.047 1 0 "[ ]"
1 58 VAL 0.089 0.059 1 0 "[ ]"
1 59 GLN 0.090 0.067 1 0 "[ ]"
1 60 LYS 0.092 0.067 1 0 "[ ]"
1 61 TYR 0.208 0.059 1 0 "[ ]"
1 62 ILE 0.056 0.052 1 0 "[ ]"
1 63 SER 0.019 0.019 1 0 "[ ]"
1 64 LEU 0.042 0.022 1 0 "[ ]"
1 65 LEU 0.055 0.055 1 0 "[ ]"
1 66 LYS 0.055 0.055 1 0 "[ ]"
1 67 THR 0.059 0.059 1 0 "[ ]"
1 68 PRO 0.000 0.000 . 0 "[ ]"
1 69 LYS 0.088 0.088 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 2 ARG HA 1 3 GLY H 5.000 . 5.200 2.838 2.838 2.838 . 0 0 "[ ]" 1
2 1 4 SER H 1 5 ASP H 5.000 . 5.400 3.811 3.811 3.811 . 0 0 "[ ]" 1
3 1 4 SER HA 1 5 ASP H 2.700 . 2.900 2.363 2.363 2.363 . 0 0 "[ ]" 1
4 1 4 SER QB 1 5 ASP H 5.000 . 6.200 4.069 4.069 4.069 . 0 0 "[ ]" 1
5 1 5 ASP H 1 5 ASP HA 2.700 . 2.900 2.872 2.872 2.872 . 0 0 "[ ]" 1
6 1 5 ASP H 1 6 ILE H 5.000 . 5.400 2.648 2.648 2.648 . 0 0 "[ ]" 1
7 1 6 ILE H 1 6 ILE HB 2.700 . 2.900 2.462 2.462 2.462 . 0 0 "[ ]" 1
8 1 6 ILE H 1 6 ILE MD 5.000 . 6.700 3.415 3.415 3.415 . 0 0 "[ ]" 1
9 1 6 ILE H 1 7 SER H 2.700 . 3.100 3.101 3.101 3.101 0.001 1 0 "[ ]" 1
10 1 6 ILE HA 1 6 ILE MG 3.300 . 4.800 2.347 2.347 2.347 . 0 0 "[ ]" 1
11 1 6 ILE HA 1 7 SER H 2.700 . 2.900 2.901 2.901 2.901 0.001 1 0 "[ ]" 1
12 1 6 ILE HA 1 8 LYS H 3.300 . 3.500 3.412 3.412 3.412 . 0 0 "[ ]" 1
13 1 6 ILE HB 1 7 SER H 5.000 . 5.200 4.147 4.147 4.147 . 0 0 "[ ]" 1
14 1 6 ILE HB 1 7 SER QB 5.000 . 6.000 5.015 5.015 5.015 . 0 0 "[ ]" 1
15 1 6 ILE MD 1 7 SER H 5.000 . 6.700 5.483 5.483 5.483 . 0 0 "[ ]" 1
16 1 6 ILE MG 1 7 SER HA 5.000 . 6.500 4.202 4.202 4.202 . 0 0 "[ ]" 1
17 1 6 ILE MG 1 7 SER QB 5.000 . 7.500 5.080 5.080 5.080 . 0 0 "[ ]" 1
18 1 7 SER H 1 7 SER HA 2.700 . 2.900 2.964 2.964 2.964 0.064 1 0 "[ ]" 1
19 1 7 SER H 1 7 SER QB 2.700 . 3.900 2.207 2.207 2.207 . 0 0 "[ ]" 1
20 1 7 SER QB 1 8 LYS H 5.000 . 6.200 3.849 3.849 3.849 . 0 0 "[ ]" 1
21 1 7 SER QB 1 40 ILE MD 5.000 . 7.500 5.238 5.238 5.238 . 0 0 "[ ]" 1
22 1 8 LYS H 1 8 LYS HA 2.700 . 2.900 2.908 2.908 2.908 0.008 1 0 "[ ]" 1
23 1 8 LYS H 1 8 LYS QB 3.300 . 4.500 1.946 1.946 1.946 . 0 0 "[ ]" 1
24 1 8 LYS H 1 8 LYS QD 3.300 . 5.000 3.806 3.806 3.806 . 0 0 "[ ]" 1
25 1 8 LYS H 1 8 LYS QG 2.700 . 4.400 3.471 3.471 3.471 . 0 0 "[ ]" 1
26 1 8 LYS HA 1 8 LYS QD 3.300 . 4.800 3.804 3.804 3.804 . 0 0 "[ ]" 1
27 1 8 LYS HA 1 9 THR H 2.700 . 2.900 2.612 2.612 2.612 . 0 0 "[ ]" 1
28 1 8 LYS HA 1 9 THR MG 5.000 . 6.500 4.076 4.076 4.076 . 0 0 "[ ]" 1
29 1 8 LYS QB 1 9 THR H 5.000 . 6.200 3.952 3.952 3.952 . 0 0 "[ ]" 1
30 1 8 LYS QG 1 9 THR H 5.000 . 6.700 4.342 4.342 4.342 . 0 0 "[ ]" 1
31 1 9 THR H 1 9 THR HB 2.700 . 2.900 2.791 2.791 2.791 . 0 0 "[ ]" 1
32 1 9 THR HA 1 9 THR HB 2.700 . 3.700 2.465 2.465 2.465 . 0 0 "[ ]" 1
33 1 9 THR HA 1 9 THR MG 3.300 . 4.800 3.195 3.195 3.195 . 0 0 "[ ]" 1
34 1 9 THR HB 1 40 ILE MD 5.000 . 7.500 5.709 5.709 5.709 . 0 0 "[ ]" 1
35 1 9 THR MG 1 10 CYS H 3.300 . 5.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
36 1 9 THR MG 1 10 CYS HA 5.000 . 6.500 4.220 4.220 4.220 . 0 0 "[ ]" 1
37 1 9 THR MG 1 40 ILE MD 3.300 . 6.300 2.995 2.995 2.995 . 0 0 "[ ]" 1
38 1 10 CYS H 1 10 CYS HB2 2.700 . 2.900 2.401 2.401 2.401 . 0 0 "[ ]" 1
39 1 10 CYS H 1 10 CYS HB3 3.300 . 3.500 3.540 3.540 3.540 0.040 1 0 "[ ]" 1
40 1 10 CYS H 1 11 CYS H 5.000 . 5.400 4.567 4.567 4.567 . 0 0 "[ ]" 1
41 1 10 CYS HA 1 11 CYS H 2.700 . 2.900 2.623 2.623 2.623 . 0 0 "[ ]" 1
42 1 10 CYS HA 1 30 THR HA 5.000 . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
43 1 10 CYS HA 1 30 THR MG 5.000 . 6.500 2.494 2.494 2.494 . 0 0 "[ ]" 1
44 1 10 CYS HA 1 34 CYS QB 5.000 . 6.000 3.297 3.297 3.297 . 0 0 "[ ]" 1
45 1 10 CYS HA 1 38 ALA MB 5.000 . 6.500 5.197 5.197 5.197 . 0 0 "[ ]" 1
46 1 10 CYS HA 1 40 ILE MD 5.000 . 6.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
47 1 10 CYS QB 1 30 THR HB 5.000 . 6.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
48 1 10 CYS HB2 1 11 CYS H 3.300 . 3.500 3.300 3.300 3.300 . 0 0 "[ ]" 1
49 1 10 CYS HB2 1 12 PHE QE 5.000 . 7.000 5.496 5.496 5.496 . 0 0 "[ ]" 1
50 1 10 CYS HB2 1 30 THR MG 5.000 . 6.500 4.774 4.774 4.774 . 0 0 "[ ]" 1
51 1 10 CYS HB2 1 34 CYS HA 5.000 . 5.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
52 1 10 CYS HB2 1 34 CYS QB 5.000 . 6.000 3.993 3.993 3.993 . 0 0 "[ ]" 1
53 1 10 CYS HB3 1 11 CYS H 2.700 . 2.900 2.274 2.274 2.274 . 0 0 "[ ]" 1
54 1 10 CYS HB3 1 12 PHE QD 5.000 . 7.000 5.457 5.457 5.457 . 0 0 "[ ]" 1
55 1 10 CYS HB3 1 30 THR MG 5.000 . 6.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
56 1 10 CYS HB3 1 34 CYS HA 5.000 . 5.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
57 1 10 CYS HB3 1 34 CYS QB 5.000 . 6.000 2.502 2.502 2.502 . 0 0 "[ ]" 1
58 1 11 CYS H 1 11 CYS QB 2.700 . 3.900 2.418 2.418 2.418 . 0 0 "[ ]" 1
59 1 11 CYS H 1 30 THR MG 3.300 . 5.000 2.606 2.606 2.606 . 0 0 "[ ]" 1
60 1 11 CYS H 1 34 CYS QB 5.000 . 6.200 3.640 3.640 3.640 . 0 0 "[ ]" 1
61 1 11 CYS H 1 38 ALA MB 5.000 . 6.200 3.845 3.845 3.845 . 0 0 "[ ]" 1
62 1 11 CYS HA 1 30 THR MG 3.300 . 4.800 3.953 3.953 3.953 . 0 0 "[ ]" 1
63 1 11 CYS HA 1 38 ALA MB 5.000 . 6.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
64 1 11 CYS HA 1 50 CYS QB 3.300 . 4.300 3.724 3.724 3.724 . 0 0 "[ ]" 1
65 1 11 CYS QB 1 12 PHE H 5.000 . 6.200 2.156 2.156 2.156 . 0 0 "[ ]" 1
66 1 11 CYS QB 1 14 TYR QD 5.000 . 8.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
67 1 11 CYS QB 1 14 TYR QE 5.000 . 8.000 2.271 2.271 2.271 . 0 0 "[ ]" 1
68 1 11 CYS QB 1 30 THR MG 5.000 . 7.500 2.180 2.180 2.180 . 0 0 "[ ]" 1
69 1 11 CYS QB 1 38 ALA MB 5.000 . 7.000 1.976 1.976 1.976 . 0 0 "[ ]" 1
70 1 11 CYS QB 1 50 CYS HA 5.000 . 6.000 3.993 3.993 3.993 . 0 0 "[ ]" 1
71 1 11 CYS QB 1 50 CYS QB 5.000 . 7.000 1.970 1.970 1.970 . 0 0 "[ ]" 1
72 1 12 PHE H 1 12 PHE HA 2.700 . 2.900 2.937 2.937 2.937 0.037 1 0 "[ ]" 1
73 1 12 PHE H 1 12 PHE QD 5.000 . 7.200 4.342 4.342 4.342 . 0 0 "[ ]" 1
74 1 12 PHE H 1 13 GLN H 3.300 . 3.700 2.488 2.488 2.488 . 0 0 "[ ]" 1
75 1 12 PHE HA 1 12 PHE QD 3.300 . 5.300 2.268 2.268 2.268 . 0 0 "[ ]" 1
76 1 12 PHE HA 1 14 TYR QD 5.000 . 7.000 5.241 5.241 5.241 . 0 0 "[ ]" 1
77 1 12 PHE HA 1 14 TYR QE 5.000 . 7.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
78 1 12 PHE HA 1 36 GLN QB 5.000 . 6.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
79 1 12 PHE QB 1 13 GLN H 3.300 . 4.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
80 1 12 PHE QB 1 13 GLN HA 5.000 . 6.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
81 1 12 PHE QB 1 36 GLN QB 5.000 . 7.000 5.298 5.298 5.298 . 0 0 "[ ]" 1
82 1 13 GLN H 1 13 GLN HA 2.700 . 2.900 2.916 2.916 2.916 0.016 1 0 "[ ]" 1
83 1 13 GLN H 1 13 GLN QB 2.700 . 3.900 2.040 2.040 2.040 . 0 0 "[ ]" 1
84 1 13 GLN H 1 13 GLN QG 3.300 . 5.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
85 1 13 GLN H 1 14 TYR H 5.000 . 5.400 4.653 4.653 4.653 . 0 0 "[ ]" 1
86 1 13 GLN H 1 50 CYS QB 5.000 . 6.200 3.950 3.950 3.950 . 0 0 "[ ]" 1
87 1 13 GLN HA 1 13 GLN QG 3.300 . 4.800 2.161 2.161 2.161 . 0 0 "[ ]" 1
88 1 13 GLN HA 1 14 TYR QB 5.000 . 6.000 4.347 4.347 4.347 . 0 0 "[ ]" 1
89 1 13 GLN HA 1 14 TYR QD 5.000 . 7.000 4.230 4.230 4.230 . 0 0 "[ ]" 1
90 1 13 GLN HA 1 14 TYR QE 5.000 . 7.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
91 1 13 GLN QB 1 14 TYR H 3.300 . 4.500 3.060 3.060 3.060 . 0 0 "[ ]" 1
92 1 13 GLN QG 1 14 TYR H 5.000 . 6.700 3.577 3.577 3.577 . 0 0 "[ ]" 1
93 1 14 TYR H 1 14 TYR HA 2.700 . 2.900 2.989 2.989 2.989 0.089 1 0 "[ ]" 1
94 1 14 TYR H 1 14 TYR QB 2.700 . 3.900 2.554 2.554 2.554 . 0 0 "[ ]" 1
95 1 14 TYR H 1 14 TYR QD 2.700 . 4.900 3.441 3.441 3.441 . 0 0 "[ ]" 1
96 1 14 TYR H 1 14 TYR QE 5.000 . 7.200 4.916 4.916 4.916 . 0 0 "[ ]" 1
97 1 14 TYR HA 1 14 TYR QD 3.300 . 5.300 2.094 2.094 2.094 . 0 0 "[ ]" 1
98 1 14 TYR HA 1 14 TYR QE 3.300 . 5.300 4.331 4.331 4.331 . 0 0 "[ ]" 1
99 1 14 TYR HA 1 50 CYS H 5.000 . 5.200 5.016 5.016 5.016 . 0 0 "[ ]" 1
100 1 14 TYR HA 1 50 CYS QB 3.300 . 4.300 3.628 3.628 3.628 . 0 0 "[ ]" 1
101 1 14 TYR HA 1 51 THR HA 3.300 . 3.300 2.450 2.450 2.450 . 0 0 "[ ]" 1
102 1 14 TYR QB 1 15 SER H 3.300 . 4.500 3.463 3.463 3.463 . 0 0 "[ ]" 1
103 1 14 TYR QB 1 50 CYS QB 5.000 . 7.000 4.921 4.921 4.921 . 0 0 "[ ]" 1
104 1 14 TYR QB 1 51 THR HA 3.300 . 4.300 2.597 2.597 2.597 . 0 0 "[ ]" 1
105 1 14 TYR QB 1 52 HIS H 5.000 . 6.200 2.836 2.836 2.836 . 0 0 "[ ]" 1
106 1 14 TYR QD 1 15 SER H 5.000 . 7.200 4.015 4.015 4.015 . 0 0 "[ ]" 1
107 1 14 TYR QD 1 38 ALA HA 5.000 . 7.000 5.502 5.502 5.502 . 0 0 "[ ]" 1
108 1 14 TYR QD 1 38 ALA MB 3.300 . 6.300 3.297 3.297 3.297 . 0 0 "[ ]" 1
109 1 14 TYR QD 1 50 CYS HA 5.000 . 7.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
110 1 14 TYR QD 1 50 CYS QB 5.000 . 8.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
111 1 14 TYR QD 1 51 THR HA 3.300 . 5.300 2.331 2.331 2.331 . 0 0 "[ ]" 1
112 1 14 TYR QD 1 51 THR HB 5.000 . 7.000 4.704 4.704 4.704 . 0 0 "[ ]" 1
113 1 14 TYR QD 1 52 HIS HA 3.300 . 5.300 4.275 4.275 4.275 . 0 0 "[ ]" 1
114 1 14 TYR QE 1 38 ALA HA 5.000 . 7.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
115 1 14 TYR QE 1 38 ALA MB 3.300 . 6.300 1.938 1.938 1.938 . 0 0 "[ ]" 1
116 1 14 TYR QE 1 39 VAL H 5.000 . 7.200 4.872 4.872 4.872 . 0 0 "[ ]" 1
117 1 14 TYR QE 1 50 CYS HA 5.000 . 7.000 4.784 4.784 4.784 . 0 0 "[ ]" 1
118 1 14 TYR QE 1 50 CYS QB 5.000 . 8.000 2.648 2.648 2.648 . 0 0 "[ ]" 1
119 1 14 TYR QE 1 51 THR HA 5.000 . 7.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
120 1 14 TYR QE 1 52 HIS HA 5.000 . 7.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
121 1 15 SER H 1 15 SER HA 2.700 . 2.900 2.920 2.920 2.920 0.020 1 0 "[ ]" 1
122 1 15 SER H 1 15 SER QB 2.700 . 3.900 1.954 1.954 1.954 . 0 0 "[ ]" 1
123 1 15 SER H 1 49 VAL MG1 5.000 . 6.700 3.478 3.478 3.478 . 0 0 "[ ]" 1
124 1 15 SER H 1 50 CYS H 5.000 . 5.400 5.083 5.083 5.083 . 0 0 "[ ]" 1
125 1 15 SER H 1 50 CYS HB2 5.000 . 5.200 4.980 4.980 4.980 . 0 0 "[ ]" 1
126 1 15 SER H 1 51 THR HA 3.300 . 3.500 3.091 3.091 3.091 . 0 0 "[ ]" 1
127 1 15 SER H 1 51 THR MG 5.000 . 6.700 2.416 2.416 2.416 . 0 0 "[ ]" 1
128 1 15 SER HA 1 49 VAL MG1 5.000 . 6.500 4.922 4.922 4.922 . 0 0 "[ ]" 1
129 1 15 SER QB 1 16 HIS HA 5.000 . 6.000 4.239 4.239 4.239 . 0 0 "[ ]" 1
130 1 15 SER QB 1 16 HIS HD1 5.000 . 8.000 6.035 6.035 6.035 . 0 0 "[ ]" 1
131 1 15 SER QB 1 17 LYS H 5.000 . 6.200 3.439 3.439 3.439 . 0 0 "[ ]" 1
132 1 15 SER QB 1 17 LYS QB 5.000 . 7.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
133 1 15 SER QB 1 17 LYS QG 5.000 . 7.000 5.246 5.246 5.246 . 0 0 "[ ]" 1
134 1 15 SER QB 1 49 VAL HB 5.000 . 6.000 4.869 4.869 4.869 . 0 0 "[ ]" 1
135 1 15 SER QB 1 49 VAL MG1 2.700 . 5.200 2.579 2.579 2.579 . 0 0 "[ ]" 1
136 1 15 SER QB 1 49 VAL MG2 5.000 . 7.500 4.543 4.543 4.543 . 0 0 "[ ]" 1
137 1 15 SER QB 1 51 THR MG 3.300 . 5.800 2.801 2.801 2.801 . 0 0 "[ ]" 1
138 1 16 HIS HA 1 17 LYS H 3.300 . 3.500 2.488 2.488 2.488 . 0 0 "[ ]" 1
139 1 16 HIS HA 1 17 LYS HA 5.000 . 5.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
140 1 16 HIS HA 1 18 PRO QD 5.000 . 6.500 5.719 5.719 5.719 . 0 0 "[ ]" 1
141 1 16 HIS QB 1 17 LYS H 5.000 . 6.200 4.010 4.010 4.010 . 0 0 "[ ]" 1
142 1 17 LYS H 1 17 LYS HA 2.700 . 2.900 2.910 2.910 2.910 0.010 1 0 "[ ]" 1
143 1 17 LYS H 1 17 LYS QB 2.700 . 3.900 2.755 2.755 2.755 . 0 0 "[ ]" 1
144 1 17 LYS H 1 17 LYS QG 3.300 . 5.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
145 1 17 LYS H 1 18 PRO QD 5.000 . 6.700 4.232 4.232 4.232 . 0 0 "[ ]" 1
146 1 17 LYS HA 1 18 PRO HA 5.000 . 5.000 4.415 4.415 4.415 . 0 0 "[ ]" 1
147 1 17 LYS HA 1 18 PRO QD 2.700 . 4.200 2.047 2.047 2.047 . 0 0 "[ ]" 1
148 1 17 LYS HA 1 18 PRO QG 5.000 . 6.500 3.966 3.966 3.966 . 0 0 "[ ]" 1
149 1 18 PRO HA 1 19 LEU H 2.700 . 2.900 2.237 2.237 2.237 . 0 0 "[ ]" 1
150 1 18 PRO HA 1 19 LEU HA 5.000 . 5.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
151 1 18 PRO HA 1 19 LEU QB 5.000 . 6.000 4.017 4.017 4.017 . 0 0 "[ ]" 1
152 1 18 PRO HA 1 21 TRP HD1 5.000 . 7.000 7.010 7.010 7.010 0.010 1 0 "[ ]" 1
153 1 18 PRO HA 1 21 TRP HZ2 5.000 . 7.000 6.275 6.275 6.275 . 0 0 "[ ]" 1
154 1 18 PRO QD 1 19 LEU QB 5.000 . 7.500 5.917 5.917 5.917 . 0 0 "[ ]" 1
155 1 18 PRO QG 1 21 TRP HZ2 5.000 . 8.500 7.622 7.622 7.622 . 0 0 "[ ]" 1
156 1 19 LEU H 1 19 LEU QB 2.700 . 3.900 1.983 1.983 1.983 . 0 0 "[ ]" 1
157 1 19 LEU H 1 19 LEU QD 3.300 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
158 1 19 LEU H 1 19 LEU HG 3.300 . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
159 1 19 LEU H 1 57 TRP HE3 5.000 . 7.200 4.828 4.828 4.828 . 0 0 "[ ]" 1
160 1 19 LEU H 1 57 TRP HH2 3.300 . 5.500 3.572 3.572 3.572 . 0 0 "[ ]" 1
161 1 19 LEU H 1 57 TRP HZ2 5.000 . 7.200 5.515 5.515 5.515 . 0 0 "[ ]" 1
162 1 19 LEU H 1 57 TRP HZ3 5.000 . 7.200 3.036 3.036 3.036 . 0 0 "[ ]" 1
163 1 19 LEU H 1 61 TYR QD 5.000 . 7.200 4.387 4.387 4.387 . 0 0 "[ ]" 1
164 1 19 LEU HA 1 20 PRO QB 5.000 . 6.000 4.608 4.608 4.608 . 0 0 "[ ]" 1
165 1 19 LEU HA 1 20 PRO QD 5.000 . 6.500 2.074 2.074 2.074 . 0 0 "[ ]" 1
166 1 19 LEU HA 1 20 PRO QG 5.000 . 6.500 3.977 3.977 3.977 . 0 0 "[ ]" 1
167 1 19 LEU HA 1 23 TRP HE3 5.000 . 7.000 6.869 6.869 6.869 . 0 0 "[ ]" 1
168 1 19 LEU QB 1 21 TRP HD1 5.000 . 8.000 6.061 6.061 6.061 . 0 0 "[ ]" 1
169 1 19 LEU QB 1 21 TRP HH2 5.000 . 8.000 6.838 6.838 6.838 . 0 0 "[ ]" 1
170 1 19 LEU QB 1 21 TRP HZ2 5.000 . 8.000 6.375 6.375 6.375 . 0 0 "[ ]" 1
171 1 19 LEU QB 1 24 VAL MG2 5.000 . 7.500 2.010 2.010 2.010 . 0 0 "[ ]" 1
172 1 19 LEU QB 1 57 TRP HZ3 5.000 . 8.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
173 1 19 LEU QD 1 21 TRP HA 5.000 . 6.500 4.212 4.212 4.212 . 0 0 "[ ]" 1
174 1 19 LEU QD 1 23 TRP QB 5.000 . 7.500 2.779 2.779 2.779 . 0 0 "[ ]" 1
175 1 19 LEU QD 1 23 TRP HD1 5.000 . 8.500 5.757 5.757 5.757 . 0 0 "[ ]" 1
176 1 19 LEU QD 1 23 TRP HE3 5.000 . 8.500 3.769 3.769 3.769 . 0 0 "[ ]" 1
177 1 19 LEU QD 1 23 TRP HZ3 5.000 . 8.500 5.498 5.498 5.498 . 0 0 "[ ]" 1
178 1 19 LEU QD 1 43 THR HA 5.000 . 6.500 3.687 3.687 3.687 . 0 0 "[ ]" 1
179 1 19 LEU QD 1 43 THR HB 5.000 . 6.500 3.706 3.706 3.706 . 0 0 "[ ]" 1
180 1 19 LEU QD 1 57 TRP HZ3 5.000 . 8.500 4.842 4.842 4.842 . 0 0 "[ ]" 1
181 1 20 PRO HA 1 20 PRO QD 3.300 . 4.800 3.371 3.371 3.371 . 0 0 "[ ]" 1
182 1 20 PRO HA 1 20 PRO QG 3.300 . 4.800 3.507 3.507 3.507 . 0 0 "[ ]" 1
183 1 20 PRO HA 1 22 THR H 5.000 . 5.200 3.604 3.604 3.604 . 0 0 "[ ]" 1
184 1 20 PRO QB 1 21 TRP H 5.000 . 6.200 3.645 3.645 3.645 . 0 0 "[ ]" 1
185 1 20 PRO QB 1 22 THR H 5.000 . 6.200 2.887 2.887 2.887 . 0 0 "[ ]" 1
186 1 20 PRO QB 1 23 TRP H 3.300 . 4.500 2.972 2.972 2.972 . 0 0 "[ ]" 1
187 1 20 PRO QB 1 23 TRP QB 5.000 . 7.000 3.379 3.379 3.379 . 0 0 "[ ]" 1
188 1 20 PRO QB 1 23 TRP HE1 5.000 . 8.000 6.315 6.315 6.315 . 0 0 "[ ]" 1
189 1 20 PRO QD 1 23 TRP HD1 5.000 . 8.500 6.915 6.915 6.915 . 0 0 "[ ]" 1
190 1 20 PRO QD 1 23 TRP HE3 5.000 . 8.500 4.425 4.425 4.425 . 0 0 "[ ]" 1
191 1 20 PRO QD 1 23 TRP HZ3 5.000 . 8.500 5.920 5.920 5.920 . 0 0 "[ ]" 1
192 1 20 PRO QD 1 24 VAL MG1 5.000 . 8.000 5.640 5.640 5.640 . 0 0 "[ ]" 1
193 1 20 PRO QD 1 24 VAL MG2 3.300 . 6.300 3.517 3.517 3.517 . 0 0 "[ ]" 1
194 1 20 PRO QG 1 21 TRP H 5.000 . 6.700 4.765 4.765 4.765 . 0 0 "[ ]" 1
195 1 20 PRO QG 1 23 TRP H 5.000 . 6.700 3.063 3.063 3.063 . 0 0 "[ ]" 1
196 1 20 PRO QG 1 23 TRP HD1 5.000 . 8.500 5.092 5.092 5.092 . 0 0 "[ ]" 1
197 1 20 PRO QG 1 23 TRP HE1 5.000 . 8.500 6.027 6.027 6.027 . 0 0 "[ ]" 1
198 1 20 PRO QG 1 23 TRP HZ2 5.000 . 8.500 6.400 6.400 6.400 . 0 0 "[ ]" 1
199 1 20 PRO O 1 23 TRP H 2.300 . 2.300 1.781 1.781 1.781 . 0 0 "[ ]" 1
200 1 21 TRP H 1 21 TRP QB 2.700 . 3.900 2.354 2.354 2.354 . 0 0 "[ ]" 1
201 1 21 TRP H 1 21 TRP HD1 5.000 . 7.200 2.284 2.284 2.284 . 0 0 "[ ]" 1
202 1 21 TRP H 1 21 TRP HE3 5.000 . 7.200 4.993 4.993 4.993 . 0 0 "[ ]" 1
203 1 21 TRP H 1 22 THR H 3.300 . 3.700 2.876 2.876 2.876 . 0 0 "[ ]" 1
204 1 21 TRP H 1 23 TRP H 5.000 . 5.400 4.489 4.489 4.489 . 0 0 "[ ]" 1
205 1 21 TRP H 1 24 VAL MG2 5.000 . 6.700 3.267 3.267 3.267 . 0 0 "[ ]" 1
206 1 21 TRP H 1 61 TYR QE 5.000 . 7.200 4.844 4.844 4.844 . 0 0 "[ ]" 1
207 1 21 TRP HA 1 21 TRP HD1 5.000 . 7.000 4.142 4.142 4.142 . 0 0 "[ ]" 1
208 1 21 TRP HA 1 21 TRP HE3 3.300 . 5.300 2.924 2.924 2.924 . 0 0 "[ ]" 1
209 1 21 TRP HA 1 21 TRP HZ3 5.000 . 7.000 5.012 5.012 5.012 . 0 0 "[ ]" 1
210 1 21 TRP HA 1 22 THR H 5.000 . 5.200 3.514 3.514 3.514 . 0 0 "[ ]" 1
211 1 21 TRP HA 1 23 TRP H 5.000 . 5.200 3.944 3.944 3.944 . 0 0 "[ ]" 1
212 1 21 TRP HA 1 24 VAL H 5.000 . 5.200 2.913 2.913 2.913 . 0 0 "[ ]" 1
213 1 21 TRP HA 1 24 VAL HB 5.000 . 5.000 1.960 1.960 1.960 . 0 0 "[ ]" 1
214 1 21 TRP HA 1 24 VAL MG1 3.300 . 4.800 3.323 3.323 3.323 . 0 0 "[ ]" 1
215 1 21 TRP HA 1 24 VAL MG2 3.300 . 4.800 1.902 1.902 1.902 . 0 0 "[ ]" 1
216 1 21 TRP QB 1 22 THR H 3.300 . 4.500 2.803 2.803 2.803 . 0 0 "[ ]" 1
217 1 21 TRP QB 1 22 THR MG 5.000 . 7.500 3.681 3.681 3.681 . 0 0 "[ ]" 1
218 1 21 TRP HD1 1 22 THR H 5.000 . 7.200 4.628 4.628 4.628 . 0 0 "[ ]" 1
219 1 21 TRP HD1 1 22 THR HA 5.000 . 7.000 6.880 6.880 6.880 . 0 0 "[ ]" 1
220 1 21 TRP HD1 1 22 THR MG 3.300 . 6.800 5.444 5.444 5.444 . 0 0 "[ ]" 1
221 1 21 TRP HE1 1 64 LEU MD1 5.000 . 8.500 3.884 3.884 3.884 . 0 0 "[ ]" 1
222 1 21 TRP HE3 1 24 VAL HB 5.000 . 7.000 2.892 2.892 2.892 . 0 0 "[ ]" 1
223 1 21 TRP HE3 1 24 VAL MG2 5.000 . 8.500 3.774 3.774 3.774 . 0 0 "[ ]" 1
224 1 21 TRP HE3 1 61 TYR HA 5.000 . 7.000 6.141 6.141 6.141 . 0 0 "[ ]" 1
225 1 21 TRP HH2 1 24 VAL HB 5.000 . 7.000 6.252 6.252 6.252 . 0 0 "[ ]" 1
226 1 21 TRP HH2 1 64 LEU H 5.000 . 7.200 3.770 3.770 3.770 . 0 0 "[ ]" 1
227 1 21 TRP HH2 1 64 LEU QB 5.000 . 8.000 1.806 1.806 1.806 . 0 0 "[ ]" 1
228 1 21 TRP HH2 1 64 LEU MD1 5.000 . 8.500 2.706 2.706 2.706 . 0 0 "[ ]" 1
229 1 21 TRP HH2 1 65 LEU H 5.000 . 7.200 2.739 2.739 2.739 . 0 0 "[ ]" 1
230 1 21 TRP HH2 1 65 LEU HA 5.000 . 7.000 4.194 4.194 4.194 . 0 0 "[ ]" 1
231 1 21 TRP HH2 1 65 LEU MD1 5.000 . 8.500 4.095 4.095 4.095 . 0 0 "[ ]" 1
232 1 21 TRP HH2 1 65 LEU MD2 3.300 . 6.800 3.978 3.978 3.978 . 0 0 "[ ]" 1
233 1 21 TRP HH2 1 65 LEU HG 5.000 . 8.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
234 1 21 TRP HZ2 1 24 VAL HB 5.000 . 7.000 6.790 6.790 6.790 . 0 0 "[ ]" 1
235 1 21 TRP HZ2 1 64 LEU QB 5.000 . 8.000 3.163 3.163 3.163 . 0 0 "[ ]" 1
236 1 21 TRP HZ2 1 64 LEU MD1 5.000 . 8.500 2.151 2.151 2.151 . 0 0 "[ ]" 1
237 1 21 TRP HZ2 1 65 LEU MD2 3.300 . 6.800 5.535 5.535 5.535 . 0 0 "[ ]" 1
238 1 21 TRP HZ2 1 65 LEU HG 5.000 . 8.500 4.918 4.918 4.918 . 0 0 "[ ]" 1
239 1 21 TRP HZ3 1 24 VAL MG1 5.000 . 8.500 3.052 3.052 3.052 . 0 0 "[ ]" 1
240 1 21 TRP HZ3 1 64 LEU H 5.000 . 7.200 5.352 5.352 5.352 . 0 0 "[ ]" 1
241 1 21 TRP HZ3 1 64 LEU MD1 5.000 . 8.500 4.299 4.299 4.299 . 0 0 "[ ]" 1
242 1 21 TRP HZ3 1 65 LEU HA 5.000 . 7.000 2.507 2.507 2.507 . 0 0 "[ ]" 1
243 1 21 TRP HZ3 1 65 LEU HG 5.000 . 8.500 1.948 1.948 1.948 . 0 0 "[ ]" 1
244 1 21 TRP O 1 24 VAL H 2.300 . 2.300 2.021 2.021 2.021 . 0 0 "[ ]" 1
245 1 22 THR H 1 22 THR HA 2.700 . 2.900 2.831 2.831 2.831 . 0 0 "[ ]" 1
246 1 22 THR H 1 22 THR HB 3.300 . 3.500 3.493 3.493 3.493 . 0 0 "[ ]" 1
247 1 22 THR H 1 23 TRP H 2.700 . 3.100 2.737 2.737 2.737 . 0 0 "[ ]" 1
248 1 22 THR HA 1 22 THR HB 2.700 . 2.700 2.619 2.619 2.619 . 0 0 "[ ]" 1
249 1 22 THR HA 1 22 THR MG 2.700 . 4.200 2.141 2.141 2.141 . 0 0 "[ ]" 1
250 1 22 THR HA 1 23 TRP H 5.000 . 5.200 3.539 3.539 3.539 . 0 0 "[ ]" 1
251 1 22 THR HA 1 23 TRP HA 5.000 . 5.000 4.632 4.632 4.632 . 0 0 "[ ]" 1
252 1 22 THR HA 1 24 VAL H 5.000 . 5.200 4.098 4.098 4.098 . 0 0 "[ ]" 1
253 1 22 THR HB 1 23 TRP H 5.000 . 5.200 3.497 3.497 3.497 . 0 0 "[ ]" 1
254 1 22 THR HB 1 23 TRP HD1 5.000 . 7.000 3.294 3.294 3.294 . 0 0 "[ ]" 1
255 1 22 THR HB 1 24 VAL H 5.000 . 5.200 5.238 5.238 5.238 0.038 1 0 "[ ]" 1
256 1 23 TRP H 1 23 TRP HA 2.700 . 2.900 2.981 2.981 2.981 0.081 1 0 "[ ]" 1
257 1 23 TRP H 1 23 TRP QB 2.700 . 3.900 2.172 2.172 2.172 . 0 0 "[ ]" 1
258 1 23 TRP H 1 23 TRP HD1 3.300 . 5.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
259 1 23 TRP H 1 23 TRP HE1 5.000 . 7.200 5.682 5.682 5.682 . 0 0 "[ ]" 1
260 1 23 TRP H 1 24 VAL H 2.700 . 3.100 2.356 2.356 2.356 . 0 0 "[ ]" 1
261 1 23 TRP H 1 24 VAL MG2 3.300 . 5.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
262 1 23 TRP H 1 44 LYS H 5.000 . 5.400 5.304 5.304 5.304 . 0 0 "[ ]" 1
263 1 23 TRP HA 1 23 TRP HD1 3.300 . 5.300 1.984 1.984 1.984 . 0 0 "[ ]" 1
264 1 23 TRP HA 1 23 TRP HE3 5.000 . 7.000 5.102 5.102 5.102 . 0 0 "[ ]" 1
265 1 23 TRP HA 1 24 VAL H 5.000 . 5.200 3.277 3.277 3.277 . 0 0 "[ ]" 1
266 1 23 TRP HA 1 43 THR HA 5.000 . 5.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
267 1 23 TRP HA 1 43 THR MG 5.000 . 6.500 4.722 4.722 4.722 . 0 0 "[ ]" 1
268 1 23 TRP HA 1 44 LYS H 3.300 . 3.500 3.091 3.091 3.091 . 0 0 "[ ]" 1
269 1 23 TRP HA 1 44 LYS HA 5.000 . 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 1
270 1 23 TRP HA 1 44 LYS QB 5.000 . 6.000 2.444 2.444 2.444 . 0 0 "[ ]" 1
271 1 23 TRP HA 1 44 LYS QE 5.000 . 6.500 3.767 3.767 3.767 . 0 0 "[ ]" 1
272 1 23 TRP QB 1 43 THR HB 5.000 . 6.000 2.952 2.952 2.952 . 0 0 "[ ]" 1
273 1 23 TRP QB 1 43 THR MG 5.000 . 7.500 2.880 2.880 2.880 . 0 0 "[ ]" 1
274 1 23 TRP HD1 1 43 THR HB 5.000 . 7.000 5.889 5.889 5.889 . 0 0 "[ ]" 1
275 1 23 TRP HE3 1 43 THR HA 5.000 . 7.000 6.981 6.981 6.981 . 0 0 "[ ]" 1
276 1 23 TRP HE3 1 43 THR HB 5.000 . 7.000 5.021 5.021 5.021 . 0 0 "[ ]" 1
277 1 23 TRP HE3 1 43 THR MG 5.000 . 8.500 4.336 4.336 4.336 . 0 0 "[ ]" 1
278 1 23 TRP HE3 1 49 VAL MG2 5.000 . 8.500 6.897 6.897 6.897 . 0 0 "[ ]" 1
279 1 23 TRP HZ3 1 43 THR MG 5.000 . 8.500 6.180 6.180 6.180 . 0 0 "[ ]" 1
280 1 24 VAL H 1 24 VAL HA 2.700 . 2.900 2.959 2.959 2.959 0.059 1 0 "[ ]" 1
281 1 24 VAL H 1 24 VAL HB 2.700 . 2.900 2.441 2.441 2.441 . 0 0 "[ ]" 1
282 1 24 VAL H 1 25 ARG H 5.000 . 5.400 4.611 4.611 4.611 . 0 0 "[ ]" 1
283 1 24 VAL HA 1 24 VAL MG1 3.300 . 4.800 2.367 2.367 2.367 . 0 0 "[ ]" 1
284 1 24 VAL HA 1 24 VAL MG2 2.700 . 4.200 2.447 2.447 2.447 . 0 0 "[ ]" 1
285 1 24 VAL HA 1 25 ARG H 2.700 . 2.900 2.302 2.302 2.302 . 0 0 "[ ]" 1
286 1 24 VAL HA 1 25 ARG HA 5.000 . 5.000 4.494 4.494 4.494 . 0 0 "[ ]" 1
287 1 24 VAL HA 1 26 SER H 5.000 . 5.200 4.629 4.629 4.629 . 0 0 "[ ]" 1
288 1 24 VAL HA 1 43 THR H 5.000 . 5.200 4.694 4.694 4.694 . 0 0 "[ ]" 1
289 1 24 VAL HA 1 43 THR HA 2.700 . 2.700 1.893 1.893 1.893 . 0 0 "[ ]" 1
290 1 24 VAL HA 1 43 THR HB 5.000 . 5.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
291 1 24 VAL HA 1 43 THR MG 3.300 . 4.800 2.677 2.677 2.677 . 0 0 "[ ]" 1
292 1 24 VAL HB 1 43 THR HA 5.000 . 5.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
293 1 24 VAL MG1 1 24 VAL MG2 2.700 . 5.700 1.936 1.936 1.936 . 0 0 "[ ]" 1
294 1 24 VAL MG1 1 25 ARG H 3.300 . 5.000 2.003 2.003 2.003 . 0 0 "[ ]" 1
295 1 24 VAL MG1 1 26 SER H 2.700 . 4.400 3.366 3.366 3.366 . 0 0 "[ ]" 1
296 1 24 VAL MG1 1 41 PHE QB 5.000 . 7.500 3.191 3.191 3.191 . 0 0 "[ ]" 1
297 1 24 VAL MG1 1 41 PHE QD 3.300 . 6.800 4.214 4.214 4.214 . 0 0 "[ ]" 1
298 1 24 VAL MG1 1 41 PHE QE 5.000 . 8.500 5.402 5.402 5.402 . 0 0 "[ ]" 1
299 1 24 VAL MG1 1 42 THR H 5.000 . 6.700 4.157 4.157 4.157 . 0 0 "[ ]" 1
300 1 24 VAL MG1 1 42 THR HA 5.000 . 6.500 5.322 5.322 5.322 . 0 0 "[ ]" 1
301 1 24 VAL MG1 1 43 THR HA 5.000 . 6.500 3.504 3.504 3.504 . 0 0 "[ ]" 1
302 1 24 VAL MG2 1 41 PHE QB 5.000 . 7.500 4.138 4.138 4.138 . 0 0 "[ ]" 1
303 1 24 VAL MG2 1 41 PHE QD 5.000 . 8.500 5.449 5.449 5.449 . 0 0 "[ ]" 1
304 1 24 VAL MG2 1 43 THR HA 5.000 . 6.500 3.828 3.828 3.828 . 0 0 "[ ]" 1
305 1 24 VAL MG2 1 43 THR MG 3.300 . 6.300 3.080 3.080 3.080 . 0 0 "[ ]" 1
306 1 24 VAL MG2 1 61 TYR QD 3.300 . 6.800 3.919 3.919 3.919 . 0 0 "[ ]" 1
307 1 25 ARG H 1 25 ARG QB 2.700 . 3.900 2.398 2.398 2.398 . 0 0 "[ ]" 1
308 1 25 ARG H 1 26 SER H 2.700 . 3.100 2.385 2.385 2.385 . 0 0 "[ ]" 1
309 1 25 ARG H 1 42 THR H 5.000 . 5.400 4.230 4.230 4.230 . 0 0 "[ ]" 1
310 1 25 ARG H 1 42 THR O 2.300 . 2.300 1.687 1.687 1.687 0.013 1 0 "[ ]" 1
311 1 25 ARG H 1 43 THR H 5.000 . 5.400 4.418 4.418 4.418 . 0 0 "[ ]" 1
312 1 25 ARG H 1 43 THR HA 2.700 . 2.900 2.481 2.481 2.481 . 0 0 "[ ]" 1
313 1 25 ARG H 1 43 THR HB 5.000 . 5.200 5.043 5.043 5.043 . 0 0 "[ ]" 1
314 1 25 ARG H 1 43 THR HG1 5.000 . 6.700 3.805 3.805 3.805 . 0 0 "[ ]" 1
315 1 25 ARG H 1 44 LYS HA 5.000 . 5.200 5.136 5.136 5.136 . 0 0 "[ ]" 1
316 1 25 ARG HA 1 25 ARG QD 3.300 . 4.800 3.314 3.314 3.314 . 0 0 "[ ]" 1
317 1 25 ARG HA 1 26 SER H 5.000 . 5.200 3.594 3.594 3.594 . 0 0 "[ ]" 1
318 1 25 ARG HA 1 43 THR HA 5.000 . 5.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
319 1 25 ARG HA 1 44 LYS HA 5.000 . 5.000 4.794 4.794 4.794 . 0 0 "[ ]" 1
320 1 25 ARG HA 1 44 LYS QE 3.300 . 4.800 3.585 3.585 3.585 . 0 0 "[ ]" 1
321 1 25 ARG HA 1 44 LYS QG 3.300 . 4.800 3.378 3.378 3.378 . 0 0 "[ ]" 1
322 1 25 ARG QB 1 26 SER H 2.700 . 3.900 2.089 2.089 2.089 . 0 0 "[ ]" 1
323 1 25 ARG QB 1 26 SER QB 5.000 . 7.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
324 1 25 ARG QB 1 43 THR HA 5.000 . 6.000 3.255 3.255 3.255 . 0 0 "[ ]" 1
325 1 25 ARG QB 1 44 LYS HA 3.300 . 4.300 2.648 2.648 2.648 . 0 0 "[ ]" 1
326 1 25 ARG QB 1 44 LYS QG 5.000 . 7.500 2.470 2.470 2.470 . 0 0 "[ ]" 1
327 1 25 ARG QD 1 42 THR MG 5.000 . 8.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
328 1 25 ARG QD 1 43 THR HA 5.000 . 6.500 5.231 5.231 5.231 . 0 0 "[ ]" 1
329 1 25 ARG QD 1 44 LYS HA 5.000 . 6.500 2.797 2.797 2.797 . 0 0 "[ ]" 1
330 1 25 ARG QG 1 26 SER H 5.000 . 6.700 3.015 3.015 3.015 . 0 0 "[ ]" 1
331 1 25 ARG QG 1 26 SER QB 5.000 . 7.000 2.600 2.600 2.600 . 0 0 "[ ]" 1
332 1 26 SER H 1 26 SER HB3 3.300 . 3.500 3.072 3.072 3.072 . 0 0 "[ ]" 1
333 1 26 SER H 1 27 TYR H 5.000 . 5.400 4.237 4.237 4.237 . 0 0 "[ ]" 1
334 1 26 SER H 1 41 PHE QD 5.000 . 7.200 5.611 5.611 5.611 . 0 0 "[ ]" 1
335 1 26 SER H 1 42 THR H 2.700 . 3.100 3.070 3.070 3.070 . 0 0 "[ ]" 1
336 1 26 SER H 1 42 THR MG 5.000 . 6.700 4.127 4.127 4.127 . 0 0 "[ ]" 1
337 1 26 SER H 1 42 THR O 2.300 . 2.300 2.338 2.338 2.338 0.038 1 0 "[ ]" 1
338 1 26 SER H 1 43 THR H 5.000 . 5.400 4.903 4.903 4.903 . 0 0 "[ ]" 1
339 1 26 SER H 1 43 THR HA 5.000 . 5.200 4.340 4.340 4.340 . 0 0 "[ ]" 1
340 1 26 SER HA 1 27 TYR H 2.700 . 2.900 2.905 2.905 2.905 0.005 1 0 "[ ]" 1
341 1 26 SER HA 1 27 TYR HA 5.000 . 5.000 4.684 4.684 4.684 . 0 0 "[ ]" 1
342 1 26 SER HA 1 65 LEU QB 5.000 . 6.000 2.301 2.301 2.301 . 0 0 "[ ]" 1
343 1 26 SER HA 1 65 LEU MD1 3.300 . 4.800 2.835 2.835 2.835 . 0 0 "[ ]" 1
344 1 26 SER HA 1 65 LEU MD2 5.000 . 6.500 2.355 2.355 2.355 . 0 0 "[ ]" 1
345 1 26 SER QB 1 27 TYR HA 5.000 . 6.000 4.573 4.573 4.573 . 0 0 "[ ]" 1
346 1 26 SER QB 1 65 LEU MD2 5.000 . 7.500 3.779 3.779 3.779 . 0 0 "[ ]" 1
347 1 26 SER HB2 1 27 TYR H 5.000 . 5.200 2.140 2.140 2.140 . 0 0 "[ ]" 1
348 1 26 SER HB3 1 27 TYR H 3.300 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
349 1 26 SER O 1 42 THR H 2.300 . 2.300 1.685 1.685 1.685 0.015 1 0 "[ ]" 1
350 1 27 TYR H 1 27 TYR QD 2.700 . 4.900 2.292 2.292 2.292 . 0 0 "[ ]" 1
351 1 27 TYR H 1 28 GLU H 5.000 . 5.400 4.387 4.387 4.387 . 0 0 "[ ]" 1
352 1 27 TYR H 1 28 GLU QG 5.000 . 6.700 5.059 5.059 5.059 . 0 0 "[ ]" 1
353 1 27 TYR H 1 41 PHE QD 5.000 . 7.200 4.839 4.839 4.839 . 0 0 "[ ]" 1
354 1 27 TYR HA 1 28 GLU H 2.700 . 2.900 2.692 2.692 2.692 . 0 0 "[ ]" 1
355 1 27 TYR HA 1 28 GLU HA 5.000 . 5.000 4.751 4.751 4.751 . 0 0 "[ ]" 1
356 1 27 TYR HA 1 39 VAL MG1 5.000 . 6.500 4.636 4.636 4.636 . 0 0 "[ ]" 1
357 1 27 TYR HA 1 40 ILE H 5.000 . 5.200 4.661 4.661 4.661 . 0 0 "[ ]" 1
358 1 27 TYR HA 1 40 ILE MG 5.000 . 6.500 3.584 3.584 3.584 . 0 0 "[ ]" 1
359 1 27 TYR HA 1 41 PHE HA 2.700 . 2.700 2.136 2.136 2.136 . 0 0 "[ ]" 1
360 1 27 TYR HA 1 41 PHE QB 5.000 . 6.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
361 1 27 TYR HA 1 41 PHE QD 3.300 . 5.300 3.187 3.187 3.187 . 0 0 "[ ]" 1
362 1 27 TYR HA 1 41 PHE QE 5.000 . 7.000 5.012 5.012 5.012 . 0 0 "[ ]" 1
363 1 27 TYR HA 1 42 THR H 3.300 . 3.500 2.314 2.314 2.314 . 0 0 "[ ]" 1
364 1 27 TYR HA 1 65 LEU MD1 5.000 . 6.500 3.463 3.463 3.463 . 0 0 "[ ]" 1
365 1 27 TYR HA 1 65 LEU MD2 5.000 . 6.500 5.311 5.311 5.311 . 0 0 "[ ]" 1
366 1 27 TYR QB 1 28 GLU H 3.300 . 4.500 2.463 2.463 2.463 . 0 0 "[ ]" 1
367 1 27 TYR QB 1 28 GLU HA 5.000 . 6.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
368 1 27 TYR QB 1 39 VAL MG1 5.000 . 7.500 3.055 3.055 3.055 . 0 0 "[ ]" 1
369 1 27 TYR QB 1 41 PHE HA 3.300 . 4.300 2.396 2.396 2.396 . 0 0 "[ ]" 1
370 1 27 TYR QB 1 41 PHE QD 5.000 . 8.000 1.839 1.839 1.839 . 0 0 "[ ]" 1
371 1 27 TYR QB 1 41 PHE QE 5.000 . 8.000 2.696 2.696 2.696 . 0 0 "[ ]" 1
372 1 27 TYR QB 1 62 ILE MG 5.000 . 7.500 3.853 3.853 3.853 . 0 0 "[ ]" 1
373 1 27 TYR QB 1 65 LEU MD1 5.000 . 7.500 1.897 1.897 1.897 . 0 0 "[ ]" 1
374 1 27 TYR QD 1 39 VAL HA 5.000 . 7.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
375 1 27 TYR QD 1 39 VAL MG1 5.000 . 8.500 2.063 2.063 2.063 . 0 0 "[ ]" 1
376 1 27 TYR QD 1 40 ILE H 5.000 . 7.200 3.192 3.192 3.192 . 0 0 "[ ]" 1
377 1 27 TYR QD 1 62 ILE HB 5.000 . 7.000 5.073 5.073 5.073 . 0 0 "[ ]" 1
378 1 27 TYR QD 1 62 ILE MG 5.000 . 8.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
379 1 27 TYR QD 1 65 LEU H 5.000 . 7.200 5.363 5.363 5.363 . 0 0 "[ ]" 1
380 1 27 TYR QD 1 65 LEU QB 3.300 . 6.300 2.797 2.797 2.797 . 0 0 "[ ]" 1
381 1 27 TYR QD 1 65 LEU MD1 3.300 . 6.800 3.497 3.497 3.497 . 0 0 "[ ]" 1
382 1 27 TYR QE 1 28 GLU HA 3.300 . 5.300 3.983 3.983 3.983 . 0 0 "[ ]" 1
383 1 27 TYR QE 1 29 PHE HA 5.000 . 7.000 4.670 4.670 4.670 . 0 0 "[ ]" 1
384 1 27 TYR QE 1 29 PHE QD 5.000 . 9.000 3.207 3.207 3.207 . 0 0 "[ ]" 1
385 1 27 TYR QE 1 39 VAL MG1 3.300 . 6.800 3.093 3.093 3.093 . 0 0 "[ ]" 1
386 1 27 TYR QE 1 39 VAL MG2 5.000 . 8.500 3.868 3.868 3.868 . 0 0 "[ ]" 1
387 1 27 TYR QE 1 41 PHE HA 5.000 . 7.000 6.532 6.532 6.532 . 0 0 "[ ]" 1
388 1 27 TYR QE 1 62 ILE HA 3.300 . 5.300 4.123 4.123 4.123 . 0 0 "[ ]" 1
389 1 27 TYR QE 1 62 ILE HB 5.000 . 7.000 4.751 4.751 4.751 . 0 0 "[ ]" 1
390 1 27 TYR QE 1 62 ILE MD 5.000 . 8.500 3.621 3.621 3.621 . 0 0 "[ ]" 1
391 1 27 TYR QE 1 62 ILE MG 3.300 . 6.800 2.074 2.074 2.074 . 0 0 "[ ]" 1
392 1 27 TYR QE 1 65 LEU QB 3.300 . 6.300 4.306 4.306 4.306 . 0 0 "[ ]" 1
393 1 27 TYR QE 1 65 LEU MD1 5.000 . 8.500 5.266 5.266 5.266 . 0 0 "[ ]" 1
394 1 27 TYR QE 1 66 LYS H 5.000 . 7.200 4.056 4.056 4.056 . 0 0 "[ ]" 1
395 1 27 TYR QE 1 66 LYS HA 5.000 . 7.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
396 1 27 TYR QE 1 67 THR H 5.000 . 7.200 4.960 4.960 4.960 . 0 0 "[ ]" 1
397 1 27 TYR QE 1 68 PRO HA 5.000 . 7.000 4.710 4.710 4.710 . 0 0 "[ ]" 1
398 1 28 GLU H 1 28 GLU HA 2.700 . 2.900 2.874 2.874 2.874 . 0 0 "[ ]" 1
399 1 28 GLU H 1 28 GLU QB 2.700 . 3.900 3.292 3.292 3.292 . 0 0 "[ ]" 1
400 1 28 GLU H 1 29 PHE H 5.000 . 5.400 4.150 4.150 4.150 . 0 0 "[ ]" 1
401 1 28 GLU H 1 39 VAL MG1 3.300 . 5.000 3.157 3.157 3.157 . 0 0 "[ ]" 1
402 1 28 GLU H 1 39 VAL MG2 5.000 . 6.700 5.272 5.272 5.272 . 0 0 "[ ]" 1
403 1 28 GLU H 1 40 ILE H 3.300 . 3.700 2.588 2.588 2.588 . 0 0 "[ ]" 1
404 1 28 GLU H 1 40 ILE HB 3.300 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
405 1 28 GLU H 1 40 ILE MD 5.000 . 6.700 4.446 4.446 4.446 . 0 0 "[ ]" 1
406 1 28 GLU H 1 40 ILE O 2.300 . 2.300 1.945 1.945 1.945 . 0 0 "[ ]" 1
407 1 28 GLU H 1 41 PHE HA 5.000 . 5.200 3.867 3.867 3.867 . 0 0 "[ ]" 1
408 1 28 GLU H 1 41 PHE QD 5.000 . 7.200 4.324 4.324 4.324 . 0 0 "[ ]" 1
409 1 28 GLU H 1 42 THR H 5.000 . 5.400 4.906 4.906 4.906 . 0 0 "[ ]" 1
410 1 28 GLU HA 1 29 PHE H 2.700 . 2.900 2.247 2.247 2.247 . 0 0 "[ ]" 1
411 1 28 GLU HA 1 29 PHE HA 5.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
412 1 28 GLU HA 1 29 PHE QB 5.000 . 6.000 3.957 3.957 3.957 . 0 0 "[ ]" 1
413 1 28 GLU HA 1 29 PHE QD 5.000 . 7.000 5.418 5.418 5.418 . 0 0 "[ ]" 1
414 1 28 GLU HA 1 39 VAL MG1 5.000 . 6.500 4.670 4.670 4.670 . 0 0 "[ ]" 1
415 1 28 GLU HA 1 40 ILE MD 5.000 . 6.500 5.075 5.075 5.075 . 0 0 "[ ]" 1
416 1 28 GLU HA 1 62 ILE MG 5.000 . 6.500 5.368 5.368 5.368 . 0 0 "[ ]" 1
417 1 28 GLU QB 1 29 PHE H 5.000 . 6.200 3.145 3.145 3.145 . 0 0 "[ ]" 1
418 1 28 GLU QG 1 29 PHE H 5.000 . 6.700 3.986 3.986 3.986 . 0 0 "[ ]" 1
419 1 28 GLU QG 1 40 ILE H 5.000 . 6.700 3.413 3.413 3.413 . 0 0 "[ ]" 1
420 1 28 GLU QG 1 40 ILE HB 5.000 . 6.500 1.788 1.788 1.788 0.012 1 0 "[ ]" 1
421 1 28 GLU QG 1 40 ILE MD 3.300 . 6.300 1.947 1.947 1.947 . 0 0 "[ ]" 1
422 1 28 GLU QG 1 40 ILE MG 5.000 . 8.000 2.153 2.153 2.153 . 0 0 "[ ]" 1
423 1 28 GLU O 1 40 ILE H 2.300 . 2.300 2.154 2.154 2.154 . 0 0 "[ ]" 1
424 1 29 PHE H 1 29 PHE QB 2.700 . 3.900 2.070 2.070 2.070 . 0 0 "[ ]" 1
425 1 29 PHE H 1 30 THR H 5.000 . 5.400 4.642 4.642 4.642 . 0 0 "[ ]" 1
426 1 29 PHE HA 1 29 PHE QD 3.300 . 5.300 2.819 2.819 2.819 . 0 0 "[ ]" 1
427 1 29 PHE HA 1 30 THR H 2.700 . 2.900 2.305 2.305 2.305 . 0 0 "[ ]" 1
428 1 29 PHE HA 1 30 THR HA 5.000 . 5.000 4.427 4.427 4.427 . 0 0 "[ ]" 1
429 1 29 PHE HA 1 30 THR MG 5.000 . 6.500 4.049 4.049 4.049 . 0 0 "[ ]" 1
430 1 29 PHE HA 1 38 ALA H 5.000 . 5.200 5.021 5.021 5.021 . 0 0 "[ ]" 1
431 1 29 PHE HA 1 39 VAL HA 2.700 . 2.700 2.217 2.217 2.217 . 0 0 "[ ]" 1
432 1 29 PHE HA 1 39 VAL MG1 5.000 . 6.500 3.345 3.345 3.345 . 0 0 "[ ]" 1
433 1 29 PHE HA 1 39 VAL MG2 5.000 . 6.500 3.465 3.465 3.465 . 0 0 "[ ]" 1
434 1 29 PHE HA 1 40 ILE H 5.000 . 5.200 3.340 3.340 3.340 . 0 0 "[ ]" 1
435 1 29 PHE HA 1 40 ILE MD 5.000 . 6.500 3.911 3.911 3.911 . 0 0 "[ ]" 1
436 1 29 PHE QB 1 30 THR H 2.700 . 3.900 3.371 3.371 3.371 . 0 0 "[ ]" 1
437 1 29 PHE QB 1 30 THR MG 5.000 . 7.500 5.100 5.100 5.100 . 0 0 "[ ]" 1
438 1 29 PHE QB 1 39 VAL HA 5.000 . 6.000 4.256 4.256 4.256 . 0 0 "[ ]" 1
439 1 29 PHE QD 1 30 THR H 5.000 . 7.200 2.023 2.023 2.023 . 0 0 "[ ]" 1
440 1 29 PHE QD 1 39 VAL HA 3.300 . 5.300 3.789 3.789 3.789 . 0 0 "[ ]" 1
441 1 29 PHE QD 1 39 VAL MG2 3.300 . 6.800 3.038 3.038 3.038 . 0 0 "[ ]" 1
442 1 29 PHE QD 1 53 PRO HA 5.000 . 7.000 6.390 6.390 6.390 . 0 0 "[ ]" 1
443 1 29 PHE QD 1 53 PRO QB 5.000 . 8.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
444 1 29 PHE QD 1 62 ILE MD 3.300 . 6.800 4.214 4.214 4.214 . 0 0 "[ ]" 1
445 1 30 THR H 1 30 THR HA 2.700 . 2.900 2.872 2.872 2.872 . 0 0 "[ ]" 1
446 1 30 THR H 1 30 THR MG 2.700 . 4.400 2.549 2.549 2.549 . 0 0 "[ ]" 1
447 1 30 THR H 1 31 SER H 5.000 . 5.400 4.622 4.622 4.622 . 0 0 "[ ]" 1
448 1 30 THR H 1 38 ALA H 3.300 . 3.700 3.137 3.137 3.137 . 0 0 "[ ]" 1
449 1 30 THR H 1 38 ALA MB 5.000 . 6.200 4.384 4.384 4.384 . 0 0 "[ ]" 1
450 1 30 THR H 1 38 ALA O 2.300 . 2.300 2.184 2.184 2.184 . 0 0 "[ ]" 1
451 1 30 THR H 1 39 VAL HA 3.300 . 3.500 3.250 3.250 3.250 . 0 0 "[ ]" 1
452 1 30 THR H 1 39 VAL MG1 5.000 . 6.700 4.980 4.980 4.980 . 0 0 "[ ]" 1
453 1 30 THR H 1 39 VAL MG2 5.000 . 6.700 4.330 4.330 4.330 . 0 0 "[ ]" 1
454 1 30 THR H 1 40 ILE H 5.000 . 5.400 4.816 4.816 4.816 . 0 0 "[ ]" 1
455 1 30 THR H 1 40 ILE MD 5.000 . 6.700 3.514 3.514 3.514 . 0 0 "[ ]" 1
456 1 30 THR HA 1 30 THR HB 2.700 . 2.700 2.650 2.650 2.650 . 0 0 "[ ]" 1
457 1 30 THR HA 1 30 THR MG 2.700 . 4.200 2.138 2.138 2.138 . 0 0 "[ ]" 1
458 1 30 THR HA 1 31 SER H 2.700 . 2.900 2.583 2.583 2.583 . 0 0 "[ ]" 1
459 1 30 THR HA 1 40 ILE MD 3.300 . 4.800 2.866 2.866 2.866 . 0 0 "[ ]" 1
460 1 30 THR HB 1 31 SER H 2.700 . 2.900 2.281 2.281 2.281 . 0 0 "[ ]" 1
461 1 30 THR HB 1 34 CYS QB 5.000 . 6.000 3.075 3.075 3.075 . 0 0 "[ ]" 1
462 1 30 THR MG 1 31 SER H 3.300 . 5.000 3.329 3.329 3.329 . 0 0 "[ ]" 1
463 1 30 THR MG 1 34 CYS QB 5.000 . 7.500 3.806 3.806 3.806 . 0 0 "[ ]" 1
464 1 30 THR MG 1 38 ALA H 3.300 . 5.000 2.699 2.699 2.699 . 0 0 "[ ]" 1
465 1 30 THR MG 1 38 ALA HA 5.000 . 6.500 4.366 4.366 4.366 . 0 0 "[ ]" 1
466 1 30 THR MG 1 40 ILE MD 3.300 . 6.300 1.816 1.816 1.816 . 0 0 "[ ]" 1
467 1 30 THR MG 1 40 ILE QG 3.300 . 6.300 2.825 2.825 2.825 . 0 0 "[ ]" 1
468 1 31 SER H 1 31 SER HA 2.700 . 2.900 2.933 2.933 2.933 0.033 1 0 "[ ]" 1
469 1 31 SER H 1 31 SER QB 2.700 . 3.900 2.201 2.201 2.201 . 0 0 "[ ]" 1
470 1 31 SER HA 1 32 ASN H 3.300 . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 1
471 1 31 SER QB 1 32 ASN H 5.000 . 6.200 3.169 3.169 3.169 . 0 0 "[ ]" 1
472 1 32 ASN H 1 33 SER H 5.000 . 5.400 2.354 2.354 2.354 . 0 0 "[ ]" 1
473 1 32 ASN QB 1 33 SER H 5.000 . 6.200 2.870 2.870 2.870 . 0 0 "[ ]" 1
474 1 32 ASN QB 1 33 SER HA 5.000 . 6.000 3.965 3.965 3.965 . 0 0 "[ ]" 1
475 1 33 SER H 1 33 SER HA 2.700 . 2.900 2.890 2.890 2.890 . 0 0 "[ ]" 1
476 1 33 SER H 1 33 SER QB 2.700 . 3.900 2.174 2.174 2.174 . 0 0 "[ ]" 1
477 1 33 SER H 1 34 CYS H 2.700 . 3.100 2.560 2.560 2.560 . 0 0 "[ ]" 1
478 1 33 SER HA 1 34 CYS H 3.300 . 3.500 3.503 3.503 3.503 0.003 1 0 "[ ]" 1
479 1 33 SER QB 1 34 CYS H 5.000 . 6.200 2.816 2.816 2.816 . 0 0 "[ ]" 1
480 1 34 CYS H 1 34 CYS QB 2.700 . 3.900 2.352 2.352 2.352 . 0 0 "[ ]" 1
481 1 34 CYS H 1 35 SER H 5.000 . 5.400 4.688 4.688 4.688 . 0 0 "[ ]" 1
482 1 34 CYS HA 1 35 SER H 2.700 . 2.900 2.299 2.299 2.299 . 0 0 "[ ]" 1
483 1 34 CYS QB 1 35 SER H 5.000 . 6.200 2.932 2.932 2.932 . 0 0 "[ ]" 1
484 1 34 CYS QB 1 36 GLN H 2.700 . 3.900 2.485 2.485 2.485 . 0 0 "[ ]" 1
485 1 35 SER H 1 35 SER QB 3.300 . 4.500 2.238 2.238 2.238 . 0 0 "[ ]" 1
486 1 35 SER H 1 36 GLN H 3.300 . 3.700 2.502 2.502 2.502 . 0 0 "[ ]" 1
487 1 35 SER HA 1 36 GLN H 5.000 . 5.200 3.407 3.407 3.407 . 0 0 "[ ]" 1
488 1 35 SER QB 1 36 GLN H 3.300 . 4.500 3.179 3.179 3.179 . 0 0 "[ ]" 1
489 1 36 GLN H 1 36 GLN QB 3.300 . 4.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
490 1 36 GLN H 1 36 GLN QG 3.300 . 5.000 4.104 4.104 4.104 . 0 0 "[ ]" 1
491 1 36 GLN H 1 37 ARG H 5.000 . 5.400 3.733 3.733 3.733 . 0 0 "[ ]" 1
492 1 36 GLN HA 1 37 ARG H 2.700 . 2.900 2.337 2.337 2.337 . 0 0 "[ ]" 1
493 1 36 GLN QB 1 37 ARG H 3.300 . 4.500 3.988 3.988 3.988 . 0 0 "[ ]" 1
494 1 36 GLN QG 1 37 ARG H 5.000 . 6.700 3.755 3.755 3.755 . 0 0 "[ ]" 1
495 1 37 ARG H 1 37 ARG HA 2.700 . 2.900 2.842 2.842 2.842 . 0 0 "[ ]" 1
496 1 37 ARG H 1 37 ARG QD 5.000 . 6.700 2.597 2.597 2.597 . 0 0 "[ ]" 1
497 1 37 ARG HA 1 38 ALA H 2.700 . 2.900 2.220 2.220 2.220 . 0 0 "[ ]" 1
498 1 38 ALA H 1 38 ALA HA 2.700 . 2.900 2.950 2.950 2.950 0.050 1 0 "[ ]" 1
499 1 38 ALA H 1 38 ALA MB 2.700 . 3.900 2.638 2.638 2.638 . 0 0 "[ ]" 1
500 1 38 ALA HA 1 39 VAL H 2.700 . 2.900 2.318 2.318 2.318 . 0 0 "[ ]" 1
501 1 38 ALA HA 1 39 VAL HB 5.000 . 6.000 4.627 4.627 4.627 . 0 0 "[ ]" 1
502 1 38 ALA HA 1 39 VAL MG2 5.000 . 6.500 3.475 3.475 3.475 . 0 0 "[ ]" 1
503 1 38 ALA HA 1 52 HIS HA 3.300 . 3.300 3.252 3.252 3.252 . 0 0 "[ ]" 1
504 1 38 ALA HA 1 53 PRO QB 5.000 . 6.000 4.242 4.242 4.242 . 0 0 "[ ]" 1
505 1 38 ALA HA 1 53 PRO QD 5.000 . 6.500 1.918 1.918 1.918 . 0 0 "[ ]" 1
506 1 38 ALA HA 1 53 PRO QG 5.000 . 6.500 3.053 3.053 3.053 . 0 0 "[ ]" 1
507 1 38 ALA MB 1 39 VAL H 2.700 . 3.900 2.846 2.846 2.846 . 0 0 "[ ]" 1
508 1 38 ALA MB 1 50 CYS QB 3.300 . 5.300 3.242 3.242 3.242 . 0 0 "[ ]" 1
509 1 38 ALA MB 1 52 HIS HA 5.000 . 6.000 3.249 3.249 3.249 . 0 0 "[ ]" 1
510 1 38 ALA MB 1 53 PRO QD 3.300 . 5.800 3.196 3.196 3.196 . 0 0 "[ ]" 1
511 1 39 VAL H 1 39 VAL HB 2.700 . 3.900 2.345 2.345 2.345 . 0 0 "[ ]" 1
512 1 39 VAL H 1 39 VAL MG2 3.300 . 5.000 2.313 2.313 2.313 . 0 0 "[ ]" 1
513 1 39 VAL H 1 40 ILE MD 5.000 . 6.700 5.511 5.511 5.511 . 0 0 "[ ]" 1
514 1 39 VAL H 1 51 THR H 3.300 . 3.700 3.585 3.585 3.585 . 0 0 "[ ]" 1
515 1 39 VAL H 1 51 THR O 2.300 . 2.300 2.247 2.247 2.247 . 0 0 "[ ]" 1
516 1 39 VAL H 1 52 HIS HA 5.000 . 5.200 3.219 3.219 3.219 . 0 0 "[ ]" 1
517 1 39 VAL H 1 53 PRO QD 3.300 . 5.000 2.209 2.209 2.209 . 0 0 "[ ]" 1
518 1 39 VAL HA 1 39 VAL MG1 3.300 . 4.800 2.394 2.394 2.394 . 0 0 "[ ]" 1
519 1 39 VAL HA 1 39 VAL MG2 2.700 . 4.200 2.388 2.388 2.388 . 0 0 "[ ]" 1
520 1 39 VAL HA 1 40 ILE H 2.700 . 2.900 2.418 2.418 2.418 . 0 0 "[ ]" 1
521 1 39 VAL HB 1 41 PHE QD 3.300 . 6.300 5.380 5.380 5.380 . 0 0 "[ ]" 1
522 1 39 VAL HB 1 41 PHE QE 5.000 . 8.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
523 1 39 VAL HB 1 58 VAL MG1 2.700 . 5.200 2.515 2.515 2.515 . 0 0 "[ ]" 1
524 1 39 VAL MG1 1 39 VAL MG2 2.700 . 5.700 2.051 2.051 2.051 . 0 0 "[ ]" 1
525 1 39 VAL MG1 1 40 ILE H 2.700 . 4.400 1.987 1.987 1.987 . 0 0 "[ ]" 1
526 1 39 VAL MG1 1 40 ILE HA 5.000 . 6.500 3.546 3.546 3.546 . 0 0 "[ ]" 1
527 1 39 VAL MG1 1 40 ILE QG 5.000 . 8.000 4.147 4.147 4.147 . 0 0 "[ ]" 1
528 1 39 VAL MG1 1 41 PHE H 5.000 . 6.700 4.329 4.329 4.329 . 0 0 "[ ]" 1
529 1 39 VAL MG1 1 41 PHE HA 5.000 . 6.500 4.319 4.319 4.319 . 0 0 "[ ]" 1
530 1 39 VAL MG1 1 41 PHE QD 5.000 . 8.500 3.717 3.717 3.717 . 0 0 "[ ]" 1
531 1 39 VAL MG1 1 41 PHE QE 3.300 . 6.800 3.057 3.057 3.057 . 0 0 "[ ]" 1
532 1 39 VAL MG1 1 51 THR H 5.000 . 6.700 4.465 4.465 4.465 . 0 0 "[ ]" 1
533 1 39 VAL MG1 1 53 PRO HA 5.000 . 6.500 4.136 4.136 4.136 . 0 0 "[ ]" 1
534 1 39 VAL MG1 1 58 VAL HA 5.000 . 6.500 4.978 4.978 4.978 . 0 0 "[ ]" 1
535 1 39 VAL MG1 1 58 VAL MG1 3.300 . 6.300 2.610 2.610 2.610 . 0 0 "[ ]" 1
536 1 39 VAL MG1 1 62 ILE MD 3.300 . 6.300 1.871 1.871 1.871 . 0 0 "[ ]" 1
537 1 39 VAL MG2 1 40 ILE H 5.000 . 6.700 3.849 3.849 3.849 . 0 0 "[ ]" 1
538 1 39 VAL MG2 1 53 PRO HA 3.300 . 4.800 2.165 2.165 2.165 . 0 0 "[ ]" 1
539 1 39 VAL MG2 1 53 PRO QB 3.300 . 5.800 1.788 1.788 1.788 0.012 1 0 "[ ]" 1
540 1 39 VAL MG2 1 53 PRO QD 5.000 . 8.000 2.866 2.866 2.866 . 0 0 "[ ]" 1
541 1 39 VAL MG2 1 53 PRO QG 3.300 . 6.300 2.904 2.904 2.904 . 0 0 "[ ]" 1
542 1 39 VAL MG2 1 58 VAL MG1 3.300 . 6.300 2.670 2.670 2.670 . 0 0 "[ ]" 1
543 1 39 VAL MG2 1 58 VAL MG2 5.000 . 8.000 4.659 4.659 4.659 . 0 0 "[ ]" 1
544 1 40 ILE H 1 40 ILE HB 2.700 . 2.900 2.524 2.524 2.524 . 0 0 "[ ]" 1
545 1 40 ILE H 1 40 ILE MD 3.300 . 5.000 3.666 3.666 3.666 . 0 0 "[ ]" 1
546 1 40 ILE H 1 40 ILE MG 2.700 . 4.400 3.772 3.772 3.772 . 0 0 "[ ]" 1
547 1 40 ILE H 1 41 PHE H 5.000 . 5.400 4.376 4.376 4.376 . 0 0 "[ ]" 1
548 1 40 ILE HA 1 40 ILE QG 3.300 . 4.800 2.350 2.350 2.350 . 0 0 "[ ]" 1
549 1 40 ILE HA 1 40 ILE MG 3.300 . 4.800 2.446 2.446 2.446 . 0 0 "[ ]" 1
550 1 40 ILE HA 1 41 PHE QB 5.000 . 6.000 4.236 4.236 4.236 . 0 0 "[ ]" 1
551 1 40 ILE HA 1 50 CYS QB 5.000 . 6.000 4.239 4.239 4.239 . 0 0 "[ ]" 1
552 1 40 ILE HB 1 50 CYS HA 3.300 . 4.300 4.293 4.293 4.293 . 0 0 "[ ]" 1
553 1 40 ILE MD 1 41 PHE H 5.000 . 6.700 5.163 5.163 5.163 . 0 0 "[ ]" 1
554 1 40 ILE MD 1 50 CYS H 5.000 . 6.700 5.424 5.424 5.424 . 0 0 "[ ]" 1
555 1 40 ILE MD 1 50 CYS HA 3.300 . 4.800 3.780 3.780 3.780 . 0 0 "[ ]" 1
556 1 40 ILE MD 1 50 CYS QB 5.000 . 7.500 4.271 4.271 4.271 . 0 0 "[ ]" 1
557 1 40 ILE MD 1 51 THR H 5.000 . 6.700 4.785 4.785 4.785 . 0 0 "[ ]" 1
558 1 40 ILE QG 1 50 CYS HA 3.300 . 4.800 2.040 2.040 2.040 . 0 0 "[ ]" 1
559 1 40 ILE MG 1 41 PHE H 5.000 . 6.700 2.514 2.514 2.514 . 0 0 "[ ]" 1
560 1 40 ILE MG 1 41 PHE HA 5.000 . 6.500 3.762 3.762 3.762 . 0 0 "[ ]" 1
561 1 40 ILE MG 1 41 PHE QB 5.000 . 7.500 4.175 4.175 4.175 . 0 0 "[ ]" 1
562 1 40 ILE MG 1 42 THR HA 5.000 . 6.500 3.941 3.941 3.941 . 0 0 "[ ]" 1
563 1 40 ILE MG 1 48 LYS HA 3.300 . 4.800 3.332 3.332 3.332 . 0 0 "[ ]" 1
564 1 41 PHE H 1 41 PHE QB 2.700 . 3.900 2.326 2.326 2.326 . 0 0 "[ ]" 1
565 1 41 PHE H 1 41 PHE QD 3.300 . 5.500 3.514 3.514 3.514 . 0 0 "[ ]" 1
566 1 41 PHE H 1 42 THR H 5.000 . 5.400 4.382 4.382 4.382 . 0 0 "[ ]" 1
567 1 41 PHE H 1 42 THR MG 5.000 . 6.700 5.580 5.580 5.580 . 0 0 "[ ]" 1
568 1 41 PHE H 1 48 LYS HA 5.000 . 5.200 4.807 4.807 4.807 . 0 0 "[ ]" 1
569 1 41 PHE H 1 49 VAL HB 5.000 . 5.200 3.112 3.112 3.112 . 0 0 "[ ]" 1
570 1 41 PHE H 1 49 VAL O 2.300 . 2.300 1.680 1.680 1.680 0.020 1 0 "[ ]" 1
571 1 41 PHE H 1 51 THR MG 3.300 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
572 1 41 PHE HA 1 41 PHE QD 3.300 . 5.300 1.960 1.960 1.960 . 0 0 "[ ]" 1
573 1 41 PHE HA 1 41 PHE QE 5.000 . 7.000 4.197 4.197 4.197 . 0 0 "[ ]" 1
574 1 41 PHE QB 1 42 THR H 3.300 . 4.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
575 1 41 PHE QB 1 43 THR MG 5.000 . 7.500 3.991 3.991 3.991 . 0 0 "[ ]" 1
576 1 41 PHE QB 1 49 VAL H 5.000 . 6.200 3.706 3.706 3.706 . 0 0 "[ ]" 1
577 1 41 PHE QB 1 49 VAL HB 5.000 . 6.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
578 1 41 PHE QB 1 49 VAL MG1 5.000 . 7.500 3.624 3.624 3.624 . 0 0 "[ ]" 1
579 1 41 PHE QB 1 49 VAL MG2 5.000 . 7.500 3.894 3.894 3.894 . 0 0 "[ ]" 1
580 1 41 PHE QD 1 42 THR H 3.300 . 5.500 3.704 3.704 3.704 . 0 0 "[ ]" 1
581 1 41 PHE QD 1 49 VAL HB 5.000 . 7.000 4.266 4.266 4.266 . 0 0 "[ ]" 1
582 1 41 PHE QD 1 49 VAL MG1 5.000 . 8.500 4.012 4.012 4.012 . 0 0 "[ ]" 1
583 1 41 PHE QD 1 58 VAL HA 3.300 . 5.300 4.741 4.741 4.741 . 0 0 "[ ]" 1
584 1 41 PHE QD 1 58 VAL MG1 3.300 . 6.800 3.852 3.852 3.852 . 0 0 "[ ]" 1
585 1 41 PHE QD 1 58 VAL MG2 5.000 . 8.500 4.202 4.202 4.202 . 0 0 "[ ]" 1
586 1 41 PHE QD 1 61 TYR HA 5.000 . 7.000 5.700 5.700 5.700 . 0 0 "[ ]" 1
587 1 41 PHE QD 1 62 ILE HA 5.000 . 7.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
588 1 41 PHE QD 1 65 LEU HG 5.000 . 8.500 4.513 4.513 4.513 . 0 0 "[ ]" 1
589 1 41 PHE QE 1 58 VAL HA 3.300 . 5.300 2.525 2.525 2.525 . 0 0 "[ ]" 1
590 1 41 PHE QE 1 58 VAL MG1 3.300 . 6.800 2.082 2.082 2.082 . 0 0 "[ ]" 1
591 1 41 PHE QE 1 58 VAL MG2 5.000 . 8.500 2.409 2.409 2.409 . 0 0 "[ ]" 1
592 1 41 PHE QE 1 61 TYR HA 5.000 . 7.000 4.666 4.666 4.666 . 0 0 "[ ]" 1
593 1 41 PHE QE 1 62 ILE HA 5.000 . 7.000 2.313 2.313 2.313 . 0 0 "[ ]" 1
594 1 41 PHE QE 1 65 LEU MD1 5.000 . 8.500 3.052 3.052 3.052 . 0 0 "[ ]" 1
595 1 41 PHE O 1 49 VAL H 2.300 . 2.300 1.760 1.760 1.760 . 0 0 "[ ]" 1
596 1 42 THR H 1 42 THR HB 2.700 . 2.900 2.970 2.970 2.970 0.070 1 0 "[ ]" 1
597 1 42 THR H 1 43 THR H 5.000 . 5.400 4.587 4.587 4.587 . 0 0 "[ ]" 1
598 1 42 THR H 1 43 THR MG 5.000 . 6.700 4.942 4.942 4.942 . 0 0 "[ ]" 1
599 1 42 THR HA 1 42 THR MG 2.700 . 4.200 1.914 1.914 1.914 . 0 0 "[ ]" 1
600 1 42 THR HA 1 47 LYS H 5.000 . 5.200 5.090 5.090 5.090 . 0 0 "[ ]" 1
601 1 42 THR HA 1 48 LYS HA 2.700 . 2.700 1.936 1.936 1.936 . 0 0 "[ ]" 1
602 1 42 THR HA 1 48 LYS QB 3.300 . 4.300 3.640 3.640 3.640 . 0 0 "[ ]" 1
603 1 42 THR HA 1 48 LYS QD 3.300 . 4.800 4.145 4.145 4.145 . 0 0 "[ ]" 1
604 1 42 THR HA 1 48 LYS QE 5.000 . 6.500 5.846 5.846 5.846 . 0 0 "[ ]" 1
605 1 42 THR HA 1 49 VAL H 2.700 . 2.900 2.908 2.908 2.908 0.008 1 0 "[ ]" 1
606 1 42 THR HA 1 49 VAL HB 5.000 . 5.000 4.741 4.741 4.741 . 0 0 "[ ]" 1
607 1 42 THR HA 1 49 VAL MG2 5.000 . 6.500 4.054 4.054 4.054 . 0 0 "[ ]" 1
608 1 42 THR HA 1 65 LEU MD1 5.000 . 6.500 5.412 5.412 5.412 . 0 0 "[ ]" 1
609 1 42 THR HB 1 43 THR H 5.000 . 5.200 3.583 3.583 3.583 . 0 0 "[ ]" 1
610 1 42 THR HB 1 48 LYS HA 5.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
611 1 42 THR HB 1 48 LYS QB 5.000 . 6.000 5.219 5.219 5.219 . 0 0 "[ ]" 1
612 1 42 THR HB 1 48 LYS QD 3.300 . 4.800 4.352 4.352 4.352 . 0 0 "[ ]" 1
613 1 42 THR MG 1 43 THR H 2.700 . 4.400 2.700 2.700 2.700 . 0 0 "[ ]" 1
614 1 42 THR MG 1 46 GLY QA 5.000 . 7.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
615 1 42 THR MG 1 48 LYS HA 5.000 . 6.500 2.107 2.107 2.107 . 0 0 "[ ]" 1
616 1 42 THR MG 1 48 LYS QE 5.000 . 8.000 3.674 3.674 3.674 . 0 0 "[ ]" 1
617 1 43 THR H 1 43 THR MG 2.700 . 4.400 2.836 2.836 2.836 . 0 0 "[ ]" 1
618 1 43 THR H 1 44 LYS H 5.000 . 5.400 4.492 4.492 4.492 . 0 0 "[ ]" 1
619 1 43 THR H 1 46 GLY H 5.000 . 5.400 3.883 3.883 3.883 . 0 0 "[ ]" 1
620 1 43 THR H 1 46 GLY QA 5.000 . 6.200 4.562 4.562 4.562 . 0 0 "[ ]" 1
621 1 43 THR H 1 47 LYS H 3.300 . 3.700 3.415 3.415 3.415 . 0 0 "[ ]" 1
622 1 43 THR H 1 48 LYS HA 3.300 . 3.500 3.348 3.348 3.348 . 0 0 "[ ]" 1
623 1 43 THR H 1 48 LYS QB 5.000 . 6.200 5.185 5.185 5.185 . 0 0 "[ ]" 1
624 1 43 THR H 1 48 LYS QD 5.000 . 6.700 5.477 5.477 5.477 . 0 0 "[ ]" 1
625 1 43 THR HA 1 43 THR HB 2.700 . 2.700 2.585 2.585 2.585 . 0 0 "[ ]" 1
626 1 43 THR HA 1 43 THR MG 2.700 . 4.200 2.170 2.170 2.170 . 0 0 "[ ]" 1
627 1 43 THR HA 1 44 LYS H 2.700 . 2.900 2.631 2.631 2.631 . 0 0 "[ ]" 1
628 1 43 THR HA 1 44 LYS HA 5.000 . 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 1
629 1 43 THR HA 1 44 LYS QG 5.000 . 6.500 3.912 3.912 3.912 . 0 0 "[ ]" 1
630 1 43 THR HA 1 45 ARG H 5.000 . 5.200 4.276 4.276 4.276 . 0 0 "[ ]" 1
631 1 43 THR HA 1 46 GLY H 5.000 . 5.200 4.980 4.980 4.980 . 0 0 "[ ]" 1
632 1 43 THR HB 1 44 LYS H 2.700 . 2.900 2.139 2.139 2.139 . 0 0 "[ ]" 1
633 1 43 THR HB 1 44 LYS HA 5.000 . 5.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
634 1 43 THR HB 1 44 LYS QG 5.000 . 6.500 4.415 4.415 4.415 . 0 0 "[ ]" 1
635 1 43 THR HB 1 45 ARG H 5.000 . 5.200 2.553 2.553 2.553 . 0 0 "[ ]" 1
636 1 43 THR HB 1 46 GLY H 5.000 . 5.200 4.139 4.139 4.139 . 0 0 "[ ]" 1
637 1 43 THR HB 1 47 LYS H 5.000 . 5.200 4.290 4.290 4.290 . 0 0 "[ ]" 1
638 1 43 THR MG 1 44 LYS H 2.700 . 4.400 3.483 3.483 3.483 . 0 0 "[ ]" 1
639 1 43 THR MG 1 45 ARG H 5.000 . 6.700 4.167 4.167 4.167 . 0 0 "[ ]" 1
640 1 43 THR MG 1 49 VAL HB 5.000 . 6.500 4.180 4.180 4.180 . 0 0 "[ ]" 1
641 1 44 LYS H 1 44 LYS QB 2.700 . 3.900 2.186 2.186 2.186 . 0 0 "[ ]" 1
642 1 44 LYS H 1 44 LYS QG 2.700 . 4.400 2.595 2.595 2.595 . 0 0 "[ ]" 1
643 1 44 LYS H 1 45 ARG H 5.000 . 5.400 2.472 2.472 2.472 . 0 0 "[ ]" 1
644 1 44 LYS H 1 45 ARG HA 5.000 . 5.200 5.104 5.104 5.104 . 0 0 "[ ]" 1
645 1 44 LYS H 1 46 GLY H 5.000 . 5.400 4.170 4.170 4.170 . 0 0 "[ ]" 1
646 1 44 LYS HA 1 44 LYS QD 3.300 . 4.800 3.262 3.262 3.262 . 0 0 "[ ]" 1
647 1 44 LYS HA 1 44 LYS QG 2.700 . 4.200 2.158 2.158 2.158 . 0 0 "[ ]" 1
648 1 44 LYS HA 1 45 ARG H 5.000 . 5.200 3.459 3.459 3.459 . 0 0 "[ ]" 1
649 1 44 LYS HA 1 46 GLY H 5.000 . 5.200 3.720 3.720 3.720 . 0 0 "[ ]" 1
650 1 44 LYS HA 1 46 GLY QA 5.000 . 6.000 4.876 4.876 4.876 . 0 0 "[ ]" 1
651 1 44 LYS QB 1 45 ARG H 5.000 . 6.200 3.008 3.008 3.008 . 0 0 "[ ]" 1
652 1 44 LYS QG 1 45 ARG H 5.000 . 6.700 4.289 4.289 4.289 . 0 0 "[ ]" 1
653 1 45 ARG H 1 45 ARG QB 2.700 . 3.900 2.183 2.183 2.183 . 0 0 "[ ]" 1
654 1 45 ARG H 1 46 GLY H 3.300 . 3.700 2.500 2.500 2.500 . 0 0 "[ ]" 1
655 1 45 ARG H 1 46 GLY QA 5.000 . 6.200 4.492 4.492 4.492 . 0 0 "[ ]" 1
656 1 45 ARG H 1 47 LYS H 3.300 . 3.700 3.594 3.594 3.594 . 0 0 "[ ]" 1
657 1 45 ARG HA 1 46 GLY H 3.300 . 3.500 3.432 3.432 3.432 . 0 0 "[ ]" 1
658 1 45 ARG QB 1 46 GLY H 5.000 . 6.200 3.090 3.090 3.090 . 0 0 "[ ]" 1
659 1 46 GLY H 1 47 LYS H 2.700 . 3.100 2.251 2.251 2.251 . 0 0 "[ ]" 1
660 1 46 GLY QA 1 47 LYS H 2.700 . 3.900 2.928 2.928 2.928 . 0 0 "[ ]" 1
661 1 47 LYS H 1 47 LYS HA 2.700 . 2.900 2.971 2.971 2.971 0.071 1 0 "[ ]" 1
662 1 47 LYS H 1 47 LYS QD 3.300 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
663 1 47 LYS H 1 47 LYS QG 3.300 . 5.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
664 1 47 LYS H 1 48 LYS H 5.000 . 5.400 4.300 4.300 4.300 . 0 0 "[ ]" 1
665 1 47 LYS HA 1 47 LYS QD 3.300 . 4.800 3.975 3.975 3.975 . 0 0 "[ ]" 1
666 1 47 LYS HA 1 47 LYS QG 2.700 . 4.200 2.280 2.280 2.280 . 0 0 "[ ]" 1
667 1 47 LYS HA 1 48 LYS H 2.700 . 2.900 2.234 2.234 2.234 . 0 0 "[ ]" 1
668 1 47 LYS HA 1 48 LYS HA 5.000 . 5.000 4.524 4.524 4.524 . 0 0 "[ ]" 1
669 1 47 LYS QG 1 48 LYS H 5.000 . 6.700 3.281 3.281 3.281 . 0 0 "[ ]" 1
670 1 48 LYS H 1 49 VAL H 5.000 . 5.400 4.572 4.572 4.572 . 0 0 "[ ]" 1
671 1 48 LYS HA 1 48 LYS QE 5.000 . 6.500 4.707 4.707 4.707 . 0 0 "[ ]" 1
672 1 48 LYS HA 1 49 VAL H 2.700 . 2.900 2.220 2.220 2.220 . 0 0 "[ ]" 1
673 1 48 LYS HA 1 49 VAL HA 5.000 . 5.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
674 1 48 LYS HA 1 49 VAL HB 5.000 . 5.000 4.562 4.562 4.562 . 0 0 "[ ]" 1
675 1 48 LYS HA 1 49 VAL MG2 5.000 . 6.500 3.614 3.614 3.614 . 0 0 "[ ]" 1
676 1 48 LYS QB 1 49 VAL H 5.000 . 6.200 3.307 3.307 3.307 . 0 0 "[ ]" 1
677 1 49 VAL H 1 49 VAL HB 2.700 . 2.900 2.434 2.434 2.434 . 0 0 "[ ]" 1
678 1 49 VAL H 1 49 VAL MG2 2.700 . 4.400 2.592 2.592 2.592 . 0 0 "[ ]" 1
679 1 49 VAL H 1 50 CYS H 5.000 . 5.400 4.527 4.527 4.527 . 0 0 "[ ]" 1
680 1 49 VAL HA 1 49 VAL MG1 2.700 . 4.200 2.282 2.282 2.282 . 0 0 "[ ]" 1
681 1 49 VAL HA 1 49 VAL MG2 2.700 . 4.200 2.321 2.321 2.321 . 0 0 "[ ]" 1
682 1 49 VAL HA 1 50 CYS H 2.700 . 2.900 2.242 2.242 2.242 . 0 0 "[ ]" 1
683 1 49 VAL HA 1 50 CYS QB 5.000 . 6.000 4.310 4.310 4.310 . 0 0 "[ ]" 1
684 1 49 VAL HB 1 50 CYS H 5.000 . 5.200 4.156 4.156 4.156 . 0 0 "[ ]" 1
685 1 49 VAL HB 1 51 THR MG 5.000 . 6.500 3.730 3.730 3.730 . 0 0 "[ ]" 1
686 1 49 VAL MG1 1 50 CYS H 3.300 . 5.000 2.374 2.374 2.374 . 0 0 "[ ]" 1
687 1 49 VAL MG1 1 51 THR HA 5.000 . 6.500 4.616 4.616 4.616 . 0 0 "[ ]" 1
688 1 49 VAL MG1 1 51 THR MG 2.700 . 5.700 2.603 2.603 2.603 . 0 0 "[ ]" 1
689 1 50 CYS H 1 50 CYS HB2 2.700 . 2.900 2.253 2.253 2.253 . 0 0 "[ ]" 1
690 1 50 CYS H 1 50 CYS HB3 3.300 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
691 1 50 CYS H 1 51 THR H 5.000 . 5.400 4.644 4.644 4.644 . 0 0 "[ ]" 1
692 1 50 CYS QB 1 51 THR HA 5.000 . 6.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
693 1 50 CYS HB3 1 51 THR H 5.000 . 5.200 2.782 2.782 2.782 . 0 0 "[ ]" 1
694 1 51 THR H 1 51 THR MG 2.700 . 4.400 3.411 3.411 3.411 . 0 0 "[ ]" 1
695 1 51 THR H 1 52 HIS H 5.000 . 5.400 4.417 4.417 4.417 . 0 0 "[ ]" 1
696 1 51 THR HA 1 51 THR HB 2.700 . 2.700 2.622 2.622 2.622 . 0 0 "[ ]" 1
697 1 51 THR HA 1 51 THR MG 3.300 . 4.800 2.065 2.065 2.065 . 0 0 "[ ]" 1
698 1 51 THR HA 1 52 HIS H 2.700 . 2.900 2.542 2.542 2.542 . 0 0 "[ ]" 1
699 1 51 THR HA 1 52 HIS QB 5.000 . 6.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
700 1 51 THR HA 1 58 VAL MG2 5.000 . 6.500 4.256 4.256 4.256 . 0 0 "[ ]" 1
701 1 51 THR HB 1 52 HIS H 2.700 . 2.900 2.392 2.392 2.392 . 0 0 "[ ]" 1
702 1 51 THR HB 1 57 TRP HZ2 5.000 . 7.000 3.483 3.483 3.483 . 0 0 "[ ]" 1
703 1 51 THR HB 1 58 VAL MG2 2.700 . 4.200 2.439 2.439 2.439 . 0 0 "[ ]" 1
704 1 51 THR HG1 1 58 VAL HA 5.000 . 6.500 4.917 4.917 4.917 . 0 0 "[ ]" 1
705 1 51 THR MG 1 52 HIS H 3.300 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
706 1 51 THR MG 1 52 HIS QB 5.000 . 7.500 4.862 4.862 4.862 . 0 0 "[ ]" 1
707 1 52 HIS H 1 52 HIS HA 2.700 . 2.900 2.967 2.967 2.967 0.067 1 0 "[ ]" 1
708 1 52 HIS H 1 52 HIS QB 2.700 . 3.900 2.065 2.065 2.065 . 0 0 "[ ]" 1
709 1 52 HIS H 1 52 HIS HD1 3.300 . 5.500 4.088 4.088 4.088 . 0 0 "[ ]" 1
710 1 52 HIS H 1 53 PRO QD 5.000 . 6.700 4.367 4.367 4.367 . 0 0 "[ ]" 1
711 1 52 HIS HA 1 53 PRO QB 5.000 . 6.000 4.600 4.600 4.600 . 0 0 "[ ]" 1
712 1 52 HIS HA 1 53 PRO QD 2.700 . 4.200 2.005 2.005 2.005 . 0 0 "[ ]" 1
713 1 52 HIS HA 1 53 PRO QG 5.000 . 6.500 3.910 3.910 3.910 . 0 0 "[ ]" 1
714 1 52 HIS HA 1 54 ARG H 5.000 . 5.200 3.761 3.761 3.761 . 0 0 "[ ]" 1
715 1 52 HIS QB 1 53 PRO HA 5.000 . 6.000 4.603 4.603 4.603 . 0 0 "[ ]" 1
716 1 52 HIS QB 1 53 PRO QD 5.000 . 7.500 3.119 3.119 3.119 . 0 0 "[ ]" 1
717 1 52 HIS QB 1 54 ARG H 5.000 . 6.200 2.756 2.756 2.756 . 0 0 "[ ]" 1
718 1 52 HIS QB 1 55 LYS H 5.000 . 6.200 2.523 2.523 2.523 . 0 0 "[ ]" 1
719 1 52 HIS QB 1 55 LYS QD 5.000 . 7.500 2.238 2.238 2.238 . 0 0 "[ ]" 1
720 1 52 HIS QB 1 55 LYS QG 5.000 . 7.500 3.950 3.950 3.950 . 0 0 "[ ]" 1
721 1 52 HIS HD1 1 53 PRO QD 5.000 . 8.500 2.212 2.212 2.212 . 0 0 "[ ]" 1
722 1 53 PRO HA 1 54 ARG H 5.000 . 5.200 3.491 3.491 3.491 . 0 0 "[ ]" 1
723 1 53 PRO HA 1 55 LYS H 5.000 . 5.200 4.615 4.615 4.615 . 0 0 "[ ]" 1
724 1 53 PRO HA 1 55 LYS QB 5.000 . 6.000 4.844 4.844 4.844 . 0 0 "[ ]" 1
725 1 53 PRO HA 1 58 VAL HB 3.300 . 3.300 3.322 3.322 3.322 0.022 1 0 "[ ]" 1
726 1 53 PRO HA 1 58 VAL MG1 2.700 . 4.200 2.243 2.243 2.243 . 0 0 "[ ]" 1
727 1 53 PRO HA 1 58 VAL MG2 5.000 . 6.500 4.044 4.044 4.044 . 0 0 "[ ]" 1
728 1 53 PRO QB 1 54 ARG HA 5.000 . 6.000 4.101 4.101 4.101 . 0 0 "[ ]" 1
729 1 53 PRO QB 1 58 VAL MG1 3.300 . 5.800 3.753 3.753 3.753 . 0 0 "[ ]" 1
730 1 53 PRO QB 1 62 ILE MD 5.000 . 7.500 3.529 3.529 3.529 . 0 0 "[ ]" 1
731 1 53 PRO QD 1 54 ARG H 5.000 . 6.700 2.472 2.472 2.472 . 0 0 "[ ]" 1
732 1 53 PRO QG 1 55 LYS QE 5.000 . 8.000 6.227 6.227 6.227 . 0 0 "[ ]" 1
733 1 54 ARG H 1 54 ARG QB 2.700 . 3.900 2.107 2.107 2.107 . 0 0 "[ ]" 1
734 1 54 ARG H 1 54 ARG QG 2.700 . 4.400 3.850 3.850 3.850 . 0 0 "[ ]" 1
735 1 54 ARG H 1 55 LYS H 2.700 . 3.100 2.784 2.784 2.784 . 0 0 "[ ]" 1
736 1 54 ARG HA 1 54 ARG QG 2.700 . 4.200 2.312 2.312 2.312 . 0 0 "[ ]" 1
737 1 54 ARG HA 1 59 GLN QG 5.000 . 6.500 4.409 4.409 4.409 . 0 0 "[ ]" 1
738 1 54 ARG QB 1 55 LYS H 5.000 . 6.200 2.255 2.255 2.255 . 0 0 "[ ]" 1
739 1 55 LYS H 1 55 LYS HA 2.700 . 2.900 2.796 2.796 2.796 . 0 0 "[ ]" 1
740 1 55 LYS H 1 56 LYS H 5.000 . 5.400 4.563 4.563 4.563 . 0 0 "[ ]" 1
741 1 55 LYS H 1 58 VAL H 5.000 . 5.400 5.018 5.018 5.018 . 0 0 "[ ]" 1
742 1 55 LYS H 1 58 VAL MG2 5.000 . 6.700 3.734 3.734 3.734 . 0 0 "[ ]" 1
743 1 55 LYS HA 1 55 LYS QD 2.700 . 4.200 3.376 3.376 3.376 . 0 0 "[ ]" 1
744 1 55 LYS HA 1 55 LYS QE 5.000 . 6.500 1.954 1.954 1.954 . 0 0 "[ ]" 1
745 1 55 LYS HA 1 55 LYS QG 3.300 . 4.800 2.052 2.052 2.052 . 0 0 "[ ]" 1
746 1 55 LYS HA 1 56 LYS H 2.700 . 2.900 2.200 2.200 2.200 . 0 0 "[ ]" 1
747 1 55 LYS HA 1 57 TRP HD1 5.000 . 7.000 4.146 4.146 4.146 . 0 0 "[ ]" 1
748 1 55 LYS HA 1 58 VAL MG2 5.000 . 6.500 4.347 4.347 4.347 . 0 0 "[ ]" 1
749 1 55 LYS HA 1 59 GLN QG 5.000 . 6.500 5.032 5.032 5.032 . 0 0 "[ ]" 1
750 1 55 LYS QB 1 57 TRP HD1 5.000 . 7.500 2.025 2.025 2.025 . 0 0 "[ ]" 1
751 1 55 LYS QD 1 57 TRP HD1 5.000 . 8.500 4.211 4.211 4.211 . 0 0 "[ ]" 1
752 1 55 LYS QD 1 57 TRP HZ2 5.000 . 8.500 6.339 6.339 6.339 . 0 0 "[ ]" 1
753 1 55 LYS QD 1 58 VAL MG2 5.000 . 8.000 3.664 3.664 3.664 . 0 0 "[ ]" 1
754 1 55 LYS O 1 58 VAL H 2.300 . 2.300 2.309 2.309 2.309 0.009 1 0 "[ ]" 1
755 1 56 LYS H 1 56 LYS QB 3.300 . 4.500 2.168 2.168 2.168 . 0 0 "[ ]" 1
756 1 56 LYS H 1 57 TRP H 5.000 . 5.400 2.819 2.819 2.819 . 0 0 "[ ]" 1
757 1 56 LYS HA 1 56 LYS QE 5.000 . 6.500 4.032 4.032 4.032 . 0 0 "[ ]" 1
758 1 56 LYS HA 1 56 LYS QG 3.300 . 4.800 2.125 2.125 2.125 . 0 0 "[ ]" 1
759 1 56 LYS HA 1 57 TRP H 5.000 . 5.200 3.579 3.579 3.579 . 0 0 "[ ]" 1
760 1 56 LYS HA 1 58 VAL H 5.000 . 5.200 4.169 4.169 4.169 . 0 0 "[ ]" 1
761 1 56 LYS HA 1 59 GLN H 3.300 . 3.500 3.236 3.236 3.236 . 0 0 "[ ]" 1
762 1 56 LYS HA 1 59 GLN QB 5.000 . 6.000 2.707 2.707 2.707 . 0 0 "[ ]" 1
763 1 56 LYS HA 1 59 GLN QG 5.000 . 6.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
764 1 56 LYS HA 1 60 LYS H 5.000 . 5.200 4.411 4.411 4.411 . 0 0 "[ ]" 1
765 1 56 LYS QB 1 58 VAL H 5.000 . 6.200 4.621 4.621 4.621 . 0 0 "[ ]" 1
766 1 57 TRP H 1 57 TRP QB 2.700 . 3.900 2.005 2.005 2.005 . 0 0 "[ ]" 1
767 1 57 TRP H 1 57 TRP HD1 2.700 . 4.900 3.118 3.118 3.118 . 0 0 "[ ]" 1
768 1 57 TRP H 1 57 TRP HE1 5.000 . 7.200 5.399 5.399 5.399 . 0 0 "[ ]" 1
769 1 57 TRP H 1 57 TRP HE3 5.000 . 7.200 5.343 5.343 5.343 . 0 0 "[ ]" 1
770 1 57 TRP H 1 58 VAL H 3.300 . 3.700 2.824 2.824 2.824 . 0 0 "[ ]" 1
771 1 57 TRP H 1 58 VAL MG2 5.000 . 6.700 4.046 4.046 4.046 . 0 0 "[ ]" 1
772 1 57 TRP H 1 59 GLN H 5.000 . 5.400 4.316 4.316 4.316 . 0 0 "[ ]" 1
773 1 57 TRP HA 1 57 TRP HD1 5.000 . 7.000 4.745 4.745 4.745 . 0 0 "[ ]" 1
774 1 57 TRP HA 1 57 TRP HE3 5.000 . 7.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
775 1 57 TRP HA 1 57 TRP HZ3 5.000 . 7.000 5.964 5.964 5.964 . 0 0 "[ ]" 1
776 1 57 TRP HA 1 58 VAL H 5.000 . 5.200 3.555 3.555 3.555 . 0 0 "[ ]" 1
777 1 57 TRP HA 1 59 GLN H 5.000 . 5.200 4.496 4.496 4.496 . 0 0 "[ ]" 1
778 1 57 TRP HA 1 60 LYS H 3.300 . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
779 1 57 TRP HA 1 60 LYS QB 5.000 . 6.000 2.519 2.519 2.519 . 0 0 "[ ]" 1
780 1 57 TRP HA 1 60 LYS QD 5.000 . 6.500 2.769 2.769 2.769 . 0 0 "[ ]" 1
781 1 57 TRP HA 1 60 LYS QE 5.000 . 6.500 3.592 3.592 3.592 . 0 0 "[ ]" 1
782 1 57 TRP HA 1 61 TYR H 5.000 . 5.200 4.570 4.570 4.570 . 0 0 "[ ]" 1
783 1 57 TRP HA 1 61 TYR QE 5.000 . 7.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
784 1 57 TRP QB 1 57 TRP HZ3 5.000 . 8.000 4.969 4.969 4.969 . 0 0 "[ ]" 1
785 1 57 TRP QB 1 58 VAL H 5.000 . 6.200 3.347 3.347 3.347 . 0 0 "[ ]" 1
786 1 57 TRP QB 1 60 LYS QB 5.000 . 7.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
787 1 57 TRP HD1 1 58 VAL H 5.000 . 7.200 3.220 3.220 3.220 . 0 0 "[ ]" 1
788 1 57 TRP HE1 1 58 VAL H 5.000 . 7.200 4.126 4.126 4.126 . 0 0 "[ ]" 1
789 1 57 TRP HE1 1 58 VAL MG2 5.000 . 8.500 2.289 2.289 2.289 . 0 0 "[ ]" 1
790 1 57 TRP HE3 1 58 VAL H 5.000 . 7.200 4.444 4.444 4.444 . 0 0 "[ ]" 1
791 1 57 TRP HE3 1 58 VAL HA 3.300 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 1
792 1 57 TRP HE3 1 58 VAL MG2 5.000 . 8.500 4.263 4.263 4.263 . 0 0 "[ ]" 1
793 1 57 TRP HE3 1 61 TYR QE 5.000 . 9.000 2.635 2.635 2.635 . 0 0 "[ ]" 1
794 1 57 TRP HZ2 1 58 VAL MG2 5.000 . 8.500 2.700 2.700 2.700 . 0 0 "[ ]" 1
795 1 57 TRP HZ2 1 61 TYR H 5.000 . 7.200 7.247 7.247 7.247 0.047 1 0 "[ ]" 1
796 1 57 TRP HZ3 1 58 VAL HA 5.000 . 7.000 4.136 4.136 4.136 . 0 0 "[ ]" 1
797 1 57 TRP HZ3 1 58 VAL MG2 5.000 . 8.500 4.609 4.609 4.609 . 0 0 "[ ]" 1
798 1 57 TRP HZ3 1 61 TYR QE 3.300 . 7.300 2.869 2.869 2.869 . 0 0 "[ ]" 1
799 1 57 TRP O 1 61 TYR H 2.300 . 2.300 2.313 2.313 2.313 0.013 1 0 "[ ]" 1
800 1 58 VAL H 1 58 VAL HB 2.700 . 2.900 2.395 2.395 2.395 . 0 0 "[ ]" 1
801 1 58 VAL H 1 58 VAL MG2 2.700 . 4.400 1.977 1.977 1.977 . 0 0 "[ ]" 1
802 1 58 VAL H 1 59 GLN H 2.700 . 3.100 2.630 2.630 2.630 . 0 0 "[ ]" 1
803 1 58 VAL H 1 60 LYS H 5.000 . 5.400 3.919 3.919 3.919 . 0 0 "[ ]" 1
804 1 58 VAL HA 1 58 VAL MG1 3.300 . 4.800 2.435 2.435 2.435 . 0 0 "[ ]" 1
805 1 58 VAL HA 1 59 GLN H 5.000 . 5.200 3.568 3.568 3.568 . 0 0 "[ ]" 1
806 1 58 VAL HA 1 60 LYS H 5.000 . 5.200 4.027 4.027 4.027 . 0 0 "[ ]" 1
807 1 58 VAL HA 1 61 TYR H 5.000 . 5.200 3.168 3.168 3.168 . 0 0 "[ ]" 1
808 1 58 VAL HA 1 61 TYR QB 3.300 . 4.300 2.404 2.404 2.404 . 0 0 "[ ]" 1
809 1 58 VAL HA 1 61 TYR QD 5.000 . 7.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
810 1 58 VAL HA 1 62 ILE H 5.000 . 5.200 4.130 4.130 4.130 . 0 0 "[ ]" 1
811 1 58 VAL HB 1 59 GLN H 2.700 . 2.900 2.499 2.499 2.499 . 0 0 "[ ]" 1
812 1 58 VAL HB 1 61 TYR H 5.000 . 5.200 5.259 5.259 5.259 0.059 1 0 "[ ]" 1
813 1 58 VAL MG1 1 58 VAL MG2 2.700 . 5.700 2.060 2.060 2.060 . 0 0 "[ ]" 1
814 1 58 VAL MG1 1 59 GLN H 3.300 . 5.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
815 1 58 VAL MG1 1 59 GLN HA 3.300 . 4.800 3.641 3.641 3.641 . 0 0 "[ ]" 1
816 1 58 VAL MG1 1 61 TYR H 5.000 . 6.700 4.245 4.245 4.245 . 0 0 "[ ]" 1
817 1 58 VAL MG1 1 62 ILE H 5.000 . 6.700 3.746 3.746 3.746 . 0 0 "[ ]" 1
818 1 58 VAL MG2 1 59 GLN H 5.000 . 6.700 3.771 3.771 3.771 . 0 0 "[ ]" 1
819 1 58 VAL O 1 62 ILE H 2.300 . 2.300 1.985 1.985 1.985 . 0 0 "[ ]" 1
820 1 59 GLN H 1 59 GLN HA 2.700 . 2.900 2.857 2.857 2.857 . 0 0 "[ ]" 1
821 1 59 GLN H 1 59 GLN QB 2.700 . 3.900 2.392 2.392 2.392 . 0 0 "[ ]" 1
822 1 59 GLN H 1 59 GLN QE 5.000 . 6.700 4.485 4.485 4.485 . 0 0 "[ ]" 1
823 1 59 GLN H 1 59 GLN QG 2.700 . 4.400 2.180 2.180 2.180 . 0 0 "[ ]" 1
824 1 59 GLN H 1 60 LYS H 2.700 . 3.100 2.590 2.590 2.590 . 0 0 "[ ]" 1
825 1 59 GLN H 1 60 LYS HA 5.000 . 5.200 5.267 5.267 5.267 0.067 1 0 "[ ]" 1
826 1 59 GLN H 1 61 TYR H 5.000 . 5.400 4.064 4.064 4.064 . 0 0 "[ ]" 1
827 1 59 GLN HA 1 59 GLN QG 3.300 . 4.800 2.330 2.330 2.330 . 0 0 "[ ]" 1
828 1 59 GLN HA 1 60 LYS H 5.000 . 5.200 3.506 3.506 3.506 . 0 0 "[ ]" 1
829 1 59 GLN HA 1 62 ILE H 3.300 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
830 1 59 GLN HA 1 62 ILE HB 3.300 . 3.300 2.888 2.888 2.888 . 0 0 "[ ]" 1
831 1 59 GLN HA 1 62 ILE MD 3.300 . 4.800 2.221 2.221 2.221 . 0 0 "[ ]" 1
832 1 59 GLN HA 1 62 ILE QG 3.300 . 4.800 3.570 3.570 3.570 . 0 0 "[ ]" 1
833 1 59 GLN HA 1 62 ILE MG 5.000 . 6.500 4.174 4.174 4.174 . 0 0 "[ ]" 1
834 1 59 GLN HA 1 63 SER H 5.000 . 5.200 4.013 4.013 4.013 . 0 0 "[ ]" 1
835 1 59 GLN QB 1 62 ILE H 5.000 . 6.200 4.989 4.989 4.989 . 0 0 "[ ]" 1
836 1 59 GLN O 1 63 SER H 2.300 . 2.300 2.319 2.319 2.319 0.019 1 0 "[ ]" 1
837 1 60 LYS H 1 60 LYS HA 2.700 . 2.900 2.904 2.904 2.904 0.004 1 0 "[ ]" 1
838 1 60 LYS H 1 60 LYS QB 2.700 . 3.900 1.989 1.989 1.989 . 0 0 "[ ]" 1
839 1 60 LYS H 1 60 LYS QG 3.300 . 5.000 2.991 2.991 2.991 . 0 0 "[ ]" 1
840 1 60 LYS H 1 61 TYR H 2.700 . 3.100 2.469 2.469 2.469 . 0 0 "[ ]" 1
841 1 60 LYS H 1 61 TYR QD 5.000 . 7.200 4.153 4.153 4.153 . 0 0 "[ ]" 1
842 1 60 LYS HA 1 60 LYS QD 3.300 . 4.800 3.921 3.921 3.921 . 0 0 "[ ]" 1
843 1 60 LYS HA 1 60 LYS QE 5.000 . 6.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
844 1 60 LYS HA 1 60 LYS QG 3.300 . 4.800 2.190 2.190 2.190 . 0 0 "[ ]" 1
845 1 60 LYS HA 1 61 TYR H 5.000 . 5.200 3.538 3.538 3.538 . 0 0 "[ ]" 1
846 1 60 LYS HA 1 63 SER H 5.000 . 5.200 3.915 3.915 3.915 . 0 0 "[ ]" 1
847 1 60 LYS HA 1 64 LEU MD1 5.000 . 6.500 3.927 3.927 3.927 . 0 0 "[ ]" 1
848 1 60 LYS QB 1 61 TYR H 2.700 . 3.900 2.787 2.787 2.787 . 0 0 "[ ]" 1
849 1 60 LYS QB 1 61 TYR QD 5.000 . 8.000 2.892 2.892 2.892 . 0 0 "[ ]" 1
850 1 60 LYS QB 1 63 SER H 5.000 . 6.200 5.354 5.354 5.354 . 0 0 "[ ]" 1
851 1 60 LYS QG 1 61 TYR H 3.300 . 5.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
852 1 60 LYS O 1 64 LEU H 2.300 . 2.300 2.320 2.320 2.320 0.020 1 0 "[ ]" 1
853 1 61 TYR H 1 61 TYR HA 2.700 . 2.900 2.915 2.915 2.915 0.015 1 0 "[ ]" 1
854 1 61 TYR H 1 61 TYR HB2 2.700 . 2.900 2.007 2.007 2.007 . 0 0 "[ ]" 1
855 1 61 TYR H 1 61 TYR QD 2.700 . 4.900 2.594 2.594 2.594 . 0 0 "[ ]" 1
856 1 61 TYR H 1 62 ILE H 2.700 . 3.100 2.520 2.520 2.520 . 0 0 "[ ]" 1
857 1 61 TYR H 1 62 ILE QG 5.000 . 6.700 3.899 3.899 3.899 . 0 0 "[ ]" 1
858 1 61 TYR H 1 63 SER H 5.000 . 5.400 4.343 4.343 4.343 . 0 0 "[ ]" 1
859 1 61 TYR H 1 64 LEU H 5.000 . 5.400 4.659 4.659 4.659 . 0 0 "[ ]" 1
860 1 61 TYR HA 1 61 TYR QD 2.700 . 4.700 2.861 2.861 2.861 . 0 0 "[ ]" 1
861 1 61 TYR HA 1 61 TYR QE 5.000 . 7.000 4.355 4.355 4.355 . 0 0 "[ ]" 1
862 1 61 TYR HA 1 62 ILE H 3.300 . 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 1
863 1 61 TYR HA 1 63 SER H 5.000 . 5.200 4.810 4.810 4.810 . 0 0 "[ ]" 1
864 1 61 TYR HA 1 64 LEU H 3.300 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
865 1 61 TYR HA 1 64 LEU QB 3.300 . 4.300 2.407 2.407 2.407 . 0 0 "[ ]" 1
866 1 61 TYR HA 1 64 LEU MD1 3.300 . 4.800 3.220 3.220 3.220 . 0 0 "[ ]" 1
867 1 61 TYR HA 1 65 LEU H 3.300 . 3.500 3.459 3.459 3.459 . 0 0 "[ ]" 1
868 1 61 TYR HA 1 65 LEU MD1 5.000 . 6.500 4.168 4.168 4.168 . 0 0 "[ ]" 1
869 1 61 TYR QD 1 62 ILE H 5.000 . 7.200 4.515 4.515 4.515 . 0 0 "[ ]" 1
870 1 61 TYR QD 1 64 LEU MD1 5.000 . 8.500 4.037 4.037 4.037 . 0 0 "[ ]" 1
871 1 61 TYR QE 1 64 LEU MD1 5.000 . 8.500 4.500 4.500 4.500 . 0 0 "[ ]" 1
872 1 61 TYR O 1 65 LEU H 2.300 . 2.300 1.720 1.720 1.720 . 0 0 "[ ]" 1
873 1 62 ILE H 1 62 ILE HA 2.700 . 2.900 2.871 2.871 2.871 . 0 0 "[ ]" 1
874 1 62 ILE H 1 62 ILE QG 2.700 . 4.400 1.955 1.955 1.955 . 0 0 "[ ]" 1
875 1 62 ILE H 1 62 ILE MG 2.700 . 4.400 3.711 3.711 3.711 . 0 0 "[ ]" 1
876 1 62 ILE H 1 63 SER H 2.700 . 3.100 2.787 2.787 2.787 . 0 0 "[ ]" 1
877 1 62 ILE HA 1 62 ILE QG 3.300 . 4.800 2.451 2.451 2.451 . 0 0 "[ ]" 1
878 1 62 ILE HA 1 62 ILE MG 2.700 . 4.200 2.286 2.286 2.286 . 0 0 "[ ]" 1
879 1 62 ILE HA 1 63 SER H 5.000 . 5.200 3.588 3.588 3.588 . 0 0 "[ ]" 1
880 1 62 ILE HA 1 65 LEU H 5.000 . 5.200 3.787 3.787 3.787 . 0 0 "[ ]" 1
881 1 62 ILE HA 1 65 LEU QB 5.000 . 6.000 2.781 2.781 2.781 . 0 0 "[ ]" 1
882 1 62 ILE HA 1 65 LEU MD1 5.000 . 6.500 3.659 3.659 3.659 . 0 0 "[ ]" 1
883 1 62 ILE HA 1 65 LEU MD2 5.000 . 6.500 5.432 5.432 5.432 . 0 0 "[ ]" 1
884 1 62 ILE QG 1 63 SER H 5.000 . 6.700 3.933 3.933 3.933 . 0 0 "[ ]" 1
885 1 62 ILE MG 1 63 SER H 3.300 . 5.000 3.231 3.231 3.231 . 0 0 "[ ]" 1
886 1 62 ILE MG 1 63 SER QB 5.000 . 7.500 4.437 4.437 4.437 . 0 0 "[ ]" 1
887 1 63 SER H 1 63 SER HA 2.700 . 2.900 2.852 2.852 2.852 . 0 0 "[ ]" 1
888 1 63 SER H 1 63 SER QB 2.700 . 3.900 2.057 2.057 2.057 . 0 0 "[ ]" 1
889 1 63 SER HA 1 66 LYS H 5.000 . 5.200 3.956 3.956 3.956 . 0 0 "[ ]" 1
890 1 63 SER QB 1 64 LEU H 3.300 . 4.500 2.723 2.723 2.723 . 0 0 "[ ]" 1
891 1 63 SER QB 1 65 LEU H 5.000 . 6.200 4.998 4.998 4.998 . 0 0 "[ ]" 1
892 1 64 LEU H 1 64 LEU HB2 2.700 . 2.900 2.053 2.053 2.053 . 0 0 "[ ]" 1
893 1 64 LEU H 1 64 LEU MD1 5.000 . 6.700 3.736 3.736 3.736 . 0 0 "[ ]" 1
894 1 64 LEU H 1 64 LEU MD2 5.000 . 6.700 3.860 3.860 3.860 . 0 0 "[ ]" 1
895 1 64 LEU H 1 64 LEU HG 2.700 . 4.400 2.882 2.882 2.882 . 0 0 "[ ]" 1
896 1 64 LEU H 1 65 LEU H 2.700 . 3.100 2.687 2.687 2.687 . 0 0 "[ ]" 1
897 1 64 LEU HA 1 64 LEU MD2 2.700 . 4.200 1.950 1.950 1.950 . 0 0 "[ ]" 1
898 1 64 LEU HA 1 64 LEU HG 2.700 . 4.200 2.657 2.657 2.657 . 0 0 "[ ]" 1
899 1 64 LEU HB2 1 65 LEU H 3.300 . 3.500 2.520 2.520 2.520 . 0 0 "[ ]" 1
900 1 64 LEU HB3 1 65 LEU H 5.000 . 5.200 2.925 2.925 2.925 . 0 0 "[ ]" 1
901 1 64 LEU MD1 1 64 LEU MD2 2.700 . 5.700 1.960 1.960 1.960 . 0 0 "[ ]" 1
902 1 64 LEU MD1 1 65 LEU H 5.000 . 6.700 4.389 4.389 4.389 . 0 0 "[ ]" 1
903 1 64 LEU HG 1 65 LEU H 5.000 . 6.700 4.628 4.628 4.628 . 0 0 "[ ]" 1
904 1 65 LEU H 1 65 LEU HA 2.700 . 2.900 2.819 2.819 2.819 . 0 0 "[ ]" 1
905 1 65 LEU H 1 65 LEU QB 2.700 . 3.900 2.101 2.101 2.101 . 0 0 "[ ]" 1
906 1 65 LEU H 1 65 LEU MD1 3.300 . 5.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
907 1 65 LEU H 1 65 LEU MD2 5.000 . 6.700 3.701 3.701 3.701 . 0 0 "[ ]" 1
908 1 65 LEU H 1 65 LEU HG 2.700 . 4.400 2.643 2.643 2.643 . 0 0 "[ ]" 1
909 1 65 LEU HA 1 65 LEU MD2 2.700 . 4.200 1.912 1.912 1.912 . 0 0 "[ ]" 1
910 1 65 LEU HA 1 66 LYS H 3.300 . 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 1
911 1 65 LEU MD2 1 66 LYS H 5.000 . 6.700 4.479 4.479 4.479 . 0 0 "[ ]" 1
912 1 66 LYS H 1 66 LYS HA 2.700 . 2.900 2.891 2.891 2.891 . 0 0 "[ ]" 1
913 1 66 LYS H 1 66 LYS QB 2.700 . 3.900 2.873 2.873 2.873 . 0 0 "[ ]" 1
914 1 66 LYS HA 1 66 LYS QD 3.300 . 4.800 3.510 3.510 3.510 . 0 0 "[ ]" 1
915 1 66 LYS HA 1 66 LYS QG 3.300 . 4.800 2.087 2.087 2.087 . 0 0 "[ ]" 1
916 1 67 THR H 1 67 THR HA 2.700 . 2.900 2.959 2.959 2.959 0.059 1 0 "[ ]" 1
917 1 67 THR H 1 67 THR HB 2.700 . 2.900 2.429 2.429 2.429 . 0 0 "[ ]" 1
918 1 67 THR HA 1 67 THR MG 3.300 . 4.800 2.381 2.381 2.381 . 0 0 "[ ]" 1
919 1 67 THR HA 1 68 PRO QD 2.700 . 4.200 2.015 2.015 2.015 . 0 0 "[ ]" 1
920 1 67 THR HB 1 68 PRO QD 5.000 . 6.500 3.861 3.861 3.861 . 0 0 "[ ]" 1
921 1 67 THR HB 1 68 PRO QG 5.000 . 6.500 5.439 5.439 5.439 . 0 0 "[ ]" 1
922 1 67 THR MG 1 68 PRO QD 3.300 . 6.300 1.919 1.919 1.919 . 0 0 "[ ]" 1
923 1 68 PRO HA 1 68 PRO QD 3.300 . 4.800 3.428 3.428 3.428 . 0 0 "[ ]" 1
924 1 69 LYS H 1 69 LYS HA 2.700 . 2.900 2.988 2.988 2.988 0.088 1 0 "[ ]" 1
925 1 69 LYS H 1 69 LYS QB 2.700 . 3.900 2.740 2.740 2.740 . 0 0 "[ ]" 1
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