NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374537 |
1ehj   |
4743 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ehj
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 893
_Distance_constraint_stats_list.Viol_count 67
_Distance_constraint_stats_list.Viol_total 13.679
_Distance_constraint_stats_list.Viol_max 1.073
_Distance_constraint_stats_list.Viol_rms 0.0743
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.2042
_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 ASP 0.474 0.302 1 0 "[ ]"
1 3 VAL 0.000 0.000 . 0 "[ ]"
1 4 VAL 1.028 0.663 1 1 [+]
1 5 THR 0.104 0.087 1 0 "[ ]"
1 6 TYR 2.661 1.073 1 1 [+]
1 7 GLU 0.584 0.206 1 0 "[ ]"
1 8 ASN 0.638 0.395 1 0 "[ ]"
1 9 LYS 0.037 0.037 1 0 "[ ]"
1 10 LYS 0.946 0.382 1 0 "[ ]"
1 11 GLY 0.000 0.000 . 0 "[ ]"
1 12 ASN 0.298 0.186 1 0 "[ ]"
1 13 VAL 0.227 0.227 1 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 15 PHE 1.582 1.073 1 1 [+]
1 16 ASP 0.000 0.000 . 0 "[ ]"
1 17 HIS 0.044 0.044 1 0 "[ ]"
1 18 LYS 1.364 0.443 1 0 "[ ]"
1 19 ALA 0.610 0.357 1 0 "[ ]"
1 20 HIS 0.104 0.104 1 0 "[ ]"
1 21 ALA 0.371 0.365 1 0 "[ ]"
1 22 GLU 1.157 0.629 1 1 [+]
1 23 LYS 1.009 0.629 1 1 [+]
1 24 LEU 0.461 0.276 1 0 "[ ]"
1 25 GLY 0.918 0.365 1 0 "[ ]"
1 26 CYS 0.000 0.000 . 0 "[ ]"
1 27 ASP 0.802 0.604 1 1 [+]
1 28 ALA 0.057 0.035 1 0 "[ ]"
1 29 CYS 0.000 0.000 . 0 "[ ]"
1 30 HIS 0.360 0.148 1 0 "[ ]"
1 31 GLU 0.705 0.604 1 1 [+]
1 32 GLY 0.007 0.007 1 0 "[ ]"
1 33 THR 0.007 0.007 1 0 "[ ]"
1 34 PRO 0.576 0.338 1 0 "[ ]"
1 35 ALA 0.000 0.000 . 0 "[ ]"
1 36 LYS 0.633 0.338 1 0 "[ ]"
1 37 ILE 0.837 0.475 1 0 "[ ]"
1 38 ALA 0.555 0.475 1 0 "[ ]"
1 39 ILE 0.000 0.000 . 0 "[ ]"
1 40 ASP 0.234 0.234 1 0 "[ ]"
1 41 LYS 1.415 0.382 1 0 "[ ]"
1 42 LYS 0.794 0.345 1 0 "[ ]"
1 43 SER 0.222 0.211 1 0 "[ ]"
1 44 ALA 0.000 0.000 . 0 "[ ]"
1 45 HIS 0.011 0.011 1 0 "[ ]"
1 46 LYS 0.081 0.081 1 0 "[ ]"
1 47 ASP 0.243 0.218 1 0 "[ ]"
1 48 ALA 0.081 0.081 1 0 "[ ]"
1 49 CYS 0.025 0.025 1 0 "[ ]"
1 50 LYS 0.000 0.000 . 0 "[ ]"
1 51 THR 0.093 0.093 1 0 "[ ]"
1 52 CYS 0.000 0.000 . 0 "[ ]"
1 53 HIS 0.000 0.000 . 0 "[ ]"
1 54 LYS 1.010 0.349 1 0 "[ ]"
1 55 SER 0.000 0.000 . 0 "[ ]"
1 56 ASN 0.000 0.000 . 0 "[ ]"
1 57 ASN 0.000 0.000 . 0 "[ ]"
1 59 PRO 0.000 0.000 . 0 "[ ]"
1 60 THR 0.082 0.082 1 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 CYS 0.082 0.082 1 0 "[ ]"
1 63 GLY 0.000 0.000 . 0 "[ ]"
1 64 GLY 0.035 0.035 1 0 "[ ]"
1 65 CYS 0.066 0.066 1 0 "[ ]"
1 66 HIS 0.947 0.395 1 0 "[ ]"
1 67 ILE 0.000 0.000 . 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP H 1 2 ASP HB2 . . 4.400 3.447 3.447 3.447 . 0 0 "[ ]" 1
2 1 2 ASP H 1 3 VAL H . . 4.500 2.153 2.153 2.153 . 0 0 "[ ]" 1
3 1 2 ASP H 1 18 LYS HB3 . . 4.900 4.980 4.980 4.980 0.080 1 0 "[ ]" 1
4 1 2 ASP H 1 18 LYS QD . . 4.900 4.948 4.948 4.948 0.048 1 0 "[ ]" 1
5 1 2 ASP H 1 18 LYS QG . . 5.900 6.202 6.202 6.202 0.302 1 0 "[ ]" 1
6 1 2 ASP HA 1 3 VAL H . . 4.100 3.565 3.565 3.565 . 0 0 "[ ]" 1
7 1 2 ASP HA 1 17 HIS H . . 5.800 4.687 4.687 4.687 . 0 0 "[ ]" 1
8 1 2 ASP HA 1 17 HIS HB2 . . 4.500 4.544 4.544 4.544 0.044 1 0 "[ ]" 1
9 1 2 ASP HA 1 17 HIS HB3 . . 4.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
10 1 2 ASP HA 1 18 LYS H . . 4.300 2.364 2.364 2.364 . 0 0 "[ ]" 1
11 1 2 ASP HA 1 18 LYS HA . . 5.700 3.587 3.587 3.587 . 0 0 "[ ]" 1
12 1 2 ASP HA 1 18 LYS HB2 . . 3.300 2.087 2.087 2.087 . 0 0 "[ ]" 1
13 1 2 ASP HA 1 18 LYS HB3 . . 3.400 2.776 2.776 2.776 . 0 0 "[ ]" 1
14 1 2 ASP HA 1 19 ALA H . . 6.100 4.765 4.765 4.765 . 0 0 "[ ]" 1
15 1 2 ASP HB2 1 3 VAL H . . 3.700 3.635 3.635 3.635 . 0 0 "[ ]" 1
16 1 2 ASP HB2 1 18 LYS H . . 4.800 3.678 3.678 3.678 . 0 0 "[ ]" 1
17 1 2 ASP HB2 1 18 LYS HB2 . . 3.400 2.420 2.420 2.420 . 0 0 "[ ]" 1
18 1 2 ASP HB2 1 18 LYS HB3 . . 3.600 2.203 2.203 2.203 . 0 0 "[ ]" 1
19 1 2 ASP HB2 1 18 LYS QD . . 3.300 2.245 2.245 2.245 . 0 0 "[ ]" 1
20 1 3 VAL H 1 3 VAL MG1 . . 4.500 2.203 2.203 2.203 . 0 0 "[ ]" 1
21 1 3 VAL H 1 4 VAL H . . 5.600 4.461 4.461 4.461 . 0 0 "[ ]" 1
22 1 3 VAL H 1 4 VAL MG2 . . 7.500 4.159 4.159 4.159 . 0 0 "[ ]" 1
23 1 3 VAL H 1 17 HIS HB2 . . 5.700 5.347 5.347 5.347 . 0 0 "[ ]" 1
24 1 3 VAL H 1 18 LYS H . . 6.500 4.656 4.656 4.656 . 0 0 "[ ]" 1
25 1 3 VAL HA 1 4 VAL H . . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 1
26 1 3 VAL HA 1 4 VAL HB . . 4.700 4.521 4.521 4.521 . 0 0 "[ ]" 1
27 1 3 VAL HA 1 4 VAL MG2 . . 6.500 3.810 3.810 3.810 . 0 0 "[ ]" 1
28 1 3 VAL HA 1 17 HIS H . . 3.800 2.435 2.435 2.435 . 0 0 "[ ]" 1
29 1 3 VAL HA 1 17 HIS HB2 . . 4.400 3.707 3.707 3.707 . 0 0 "[ ]" 1
30 1 3 VAL HA 1 18 LYS H . . 5.600 3.929 3.929 3.929 . 0 0 "[ ]" 1
31 1 3 VAL MG1 1 4 VAL H . . 6.600 3.957 3.957 3.957 . 0 0 "[ ]" 1
32 1 3 VAL MG2 1 14 THR HB . . 6.400 4.562 4.562 4.562 . 0 0 "[ ]" 1
33 1 4 VAL H 1 4 VAL HB . . 3.400 2.686 2.686 2.686 . 0 0 "[ ]" 1
34 1 4 VAL H 1 4 VAL MG1 . . 4.500 3.911 3.911 3.911 . 0 0 "[ ]" 1
35 1 4 VAL H 1 5 THR H . . 5.100 4.414 4.414 4.414 . 0 0 "[ ]" 1
36 1 4 VAL H 1 5 THR MG . . 7.500 5.452 5.452 5.452 . 0 0 "[ ]" 1
37 1 4 VAL H 1 6 TYR CZ . . 7.900 8.563 8.563 8.563 0.663 1 1 [+] 1
38 1 4 VAL H 1 6 TYR H . . 6.500 6.475 6.475 6.475 . 0 0 "[ ]" 1
39 1 4 VAL H 1 15 PHE CG . . 8.500 4.039 4.039 4.039 . 0 0 "[ ]" 1
40 1 4 VAL H 1 15 PHE H . . 5.100 2.999 2.999 2.999 . 0 0 "[ ]" 1
41 1 4 VAL H 1 15 PHE QB . . 4.800 4.648 4.648 4.648 . 0 0 "[ ]" 1
42 1 4 VAL H 1 17 HIS H . . 5.600 3.082 3.082 3.082 . 0 0 "[ ]" 1
43 1 4 VAL H 1 17 HIS HA . . 6.300 5.404 5.404 5.404 . 0 0 "[ ]" 1
44 1 4 VAL H 1 18 LYS H . . 6.500 5.526 5.526 5.526 . 0 0 "[ ]" 1
45 1 4 VAL HA 1 5 THR H . . 2.800 2.365 2.365 2.365 . 0 0 "[ ]" 1
46 1 4 VAL HA 1 6 TYR CZ . . 8.000 8.366 8.366 8.366 0.366 1 0 "[ ]" 1
47 1 4 VAL HB 1 5 THR H . . 4.500 3.758 3.758 3.758 . 0 0 "[ ]" 1
48 1 4 VAL HB 1 6 TYR CZ . . 6.800 6.251 6.251 6.251 . 0 0 "[ ]" 1
49 1 4 VAL HB 1 15 PHE CG . . 6.700 3.437 3.437 3.437 . 0 0 "[ ]" 1
50 1 4 VAL HB 1 15 PHE CZ . . 7.200 2.561 2.561 2.561 . 0 0 "[ ]" 1
51 1 4 VAL MG1 1 5 THR H . . 4.400 1.975 1.975 1.975 . 0 0 "[ ]" 1
52 1 4 VAL MG1 1 5 THR HA . . 6.600 3.002 3.002 3.002 . 0 0 "[ ]" 1
53 1 4 VAL MG1 1 5 THR HB . . 6.500 4.519 4.519 4.519 . 0 0 "[ ]" 1
54 1 4 VAL MG1 1 5 THR MG . . 4.500 3.755 3.755 3.755 . 0 0 "[ ]" 1
55 1 4 VAL MG1 1 6 TYR CG . . 8.700 4.606 4.606 4.606 . 0 0 "[ ]" 1
56 1 4 VAL MG1 1 6 TYR CZ . . 8.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
57 1 4 VAL MG1 1 6 TYR H . . 6.600 3.750 3.750 3.750 . 0 0 "[ ]" 1
58 1 4 VAL MG1 1 7 GLU H . . 7.500 5.145 5.145 5.145 . 0 0 "[ ]" 1
59 1 4 VAL MG1 1 13 VAL H . . 7.500 6.512 6.512 6.512 . 0 0 "[ ]" 1
60 1 4 VAL MG1 1 15 PHE CG . . 9.500 4.266 4.266 4.266 . 0 0 "[ ]" 1
61 1 4 VAL MG1 1 15 PHE CZ . . 8.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
62 1 4 VAL MG1 1 15 PHE H . . 6.100 4.626 4.626 4.626 . 0 0 "[ ]" 1
63 1 4 VAL MG2 1 5 THR H . . 5.900 3.760 3.760 3.760 . 0 0 "[ ]" 1
64 1 4 VAL MG2 1 5 THR HA . . 7.500 5.168 5.168 5.168 . 0 0 "[ ]" 1
65 1 4 VAL MG2 1 6 TYR CG . . 9.500 7.032 7.032 7.032 . 0 0 "[ ]" 1
66 1 4 VAL MG2 1 6 TYR CZ . . 9.400 6.362 6.362 6.362 . 0 0 "[ ]" 1
67 1 4 VAL MG2 1 6 TYR H . . 7.500 6.299 6.299 6.299 . 0 0 "[ ]" 1
68 1 4 VAL MG2 1 15 PHE CG . . 9.500 4.794 4.794 4.794 . 0 0 "[ ]" 1
69 1 4 VAL MG2 1 15 PHE CZ . . 9.500 3.623 3.623 3.623 . 0 0 "[ ]" 1
70 1 4 VAL MG2 1 15 PHE H . . 7.500 5.253 5.253 5.253 . 0 0 "[ ]" 1
71 1 4 VAL MG2 1 17 HIS H . . 7.500 4.176 4.176 4.176 . 0 0 "[ ]" 1
72 1 5 THR H 1 5 THR HB . . 3.400 3.417 3.417 3.417 0.017 1 0 "[ ]" 1
73 1 5 THR H 1 6 TYR CG . . 7.900 6.290 6.290 6.290 . 0 0 "[ ]" 1
74 1 5 THR H 1 6 TYR H . . 6.200 4.235 4.235 4.235 . 0 0 "[ ]" 1
75 1 5 THR H 1 7 GLU H . . 6.500 5.287 5.287 5.287 . 0 0 "[ ]" 1
76 1 5 THR H 1 15 PHE CZ . . 7.900 5.136 5.136 5.136 . 0 0 "[ ]" 1
77 1 5 THR H 1 15 PHE H . . 5.600 4.904 4.904 4.904 . 0 0 "[ ]" 1
78 1 5 THR HA 1 6 TYR H . . 3.400 2.122 2.122 2.122 . 0 0 "[ ]" 1
79 1 5 THR HA 1 12 ASN HB3 . . 6.300 5.174 5.174 5.174 . 0 0 "[ ]" 1
80 1 5 THR HA 1 13 VAL H . . 6.300 4.608 4.608 4.608 . 0 0 "[ ]" 1
81 1 5 THR HA 1 15 PHE H . . 3.900 3.195 3.195 3.195 . 0 0 "[ ]" 1
82 1 5 THR HA 1 15 PHE HZ . . 5.000 5.087 5.087 5.087 0.087 1 0 "[ ]" 1
83 1 5 THR HB 1 6 TYR H . . 4.600 4.012 4.012 4.012 . 0 0 "[ ]" 1
84 1 5 THR HB 1 7 GLU H . . 5.900 5.900 5.900 5.900 . 0 0 "[ ]" 1
85 1 5 THR HB 1 13 VAL H . . 6.300 4.992 4.992 4.992 . 0 0 "[ ]" 1
86 1 5 THR HB 1 15 PHE H . . 5.500 3.815 3.815 3.815 . 0 0 "[ ]" 1
87 1 5 THR MG 1 6 TYR CG . . 9.500 6.084 6.084 6.084 . 0 0 "[ ]" 1
88 1 5 THR MG 1 6 TYR CZ . . 9.500 7.662 7.662 7.662 . 0 0 "[ ]" 1
89 1 5 THR MG 1 6 TYR H . . 6.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
90 1 5 THR MG 1 6 TYR HA . . 6.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
91 1 5 THR MG 1 7 GLU H . . 6.300 3.401 3.401 3.401 . 0 0 "[ ]" 1
92 1 5 THR MG 1 7 GLU HA . . 6.800 3.790 3.790 3.790 . 0 0 "[ ]" 1
93 1 5 THR MG 1 8 ASN H . . 7.500 5.279 5.279 5.279 . 0 0 "[ ]" 1
94 1 5 THR MG 1 12 ASN HA . . 7.500 4.815 4.815 4.815 . 0 0 "[ ]" 1
95 1 5 THR MG 1 12 ASN HB2 . . 4.900 3.845 3.845 3.845 . 0 0 "[ ]" 1
96 1 5 THR MG 1 12 ASN HB3 . . 4.800 2.950 2.950 2.950 . 0 0 "[ ]" 1
97 1 5 THR MG 1 12 ASN QD . . 5.400 4.848 4.848 4.848 . 0 0 "[ ]" 1
98 1 5 THR MG 1 13 VAL H . . 7.500 4.560 4.560 4.560 . 0 0 "[ ]" 1
99 1 5 THR MG 1 13 VAL HA . . 7.200 6.000 6.000 6.000 . 0 0 "[ ]" 1
100 1 6 TYR CG 1 7 GLU H . . 6.500 4.895 4.895 4.895 . 0 0 "[ ]" 1
101 1 6 TYR CG 1 7 GLU QG . . 9.100 6.155 6.155 6.155 . 0 0 "[ ]" 1
102 1 6 TYR CG 1 8 ASN H . . 8.500 5.796 5.796 5.796 . 0 0 "[ ]" 1
103 1 6 TYR CG 1 13 VAL H . . 6.700 5.225 5.225 5.225 . 0 0 "[ ]" 1
104 1 6 TYR CG 1 13 VAL HA . . 8.500 6.956 6.956 6.956 . 0 0 "[ ]" 1
105 1 6 TYR CG 1 13 VAL HB . . 5.900 4.133 4.133 4.133 . 0 0 "[ ]" 1
106 1 6 TYR CG 1 13 VAL MG1 . . 8.300 4.386 4.386 4.386 . 0 0 "[ ]" 1
107 1 6 TYR CG 1 13 VAL MG2 . . 9.500 5.225 5.225 5.225 . 0 0 "[ ]" 1
108 1 6 TYR CG 1 15 PHE CG . . 10.500 6.253 6.253 6.253 . 0 0 "[ ]" 1
109 1 6 TYR CG 1 15 PHE CZ . . 9.400 5.033 5.033 5.033 . 0 0 "[ ]" 1
110 1 6 TYR CG 1 15 PHE H . . 7.300 7.391 7.391 7.391 0.091 1 0 "[ ]" 1
111 1 6 TYR CG 1 15 PHE QB . . 6.800 6.421 6.421 6.421 . 0 0 "[ ]" 1
112 1 6 TYR CG 1 15 PHE HZ . . 7.700 4.898 4.898 4.898 . 0 0 "[ ]" 1
113 1 6 TYR CG 1 39 ILE HB . . 7.200 5.293 5.293 5.293 . 0 0 "[ ]" 1
114 1 6 TYR CG 1 39 ILE MG . . 9.200 5.169 5.169 5.169 . 0 0 "[ ]" 1
115 1 6 TYR CZ 1 6 TYR H . . 7.400 5.259 5.259 5.259 . 0 0 "[ ]" 1
116 1 6 TYR CZ 1 7 GLU H . . 8.500 7.183 7.183 7.183 . 0 0 "[ ]" 1
117 1 6 TYR CZ 1 13 VAL MG1 . . 9.500 5.559 5.559 5.559 . 0 0 "[ ]" 1
118 1 6 TYR CZ 1 13 VAL MG2 . . 9.500 6.992 6.992 6.992 . 0 0 "[ ]" 1
119 1 6 TYR CZ 1 15 PHE CG . . 9.600 5.873 5.873 5.873 . 0 0 "[ ]" 1
120 1 6 TYR CZ 1 15 PHE CZ . . 8.200 3.955 3.955 3.955 . 0 0 "[ ]" 1
121 1 6 TYR CZ 1 15 PHE H . . 7.000 8.073 8.073 8.073 1.073 1 1 [+] 1
122 1 6 TYR CZ 1 15 PHE QB . . 6.100 6.342 6.342 6.342 0.242 1 0 "[ ]" 1
123 1 6 TYR CZ 1 15 PHE HZ . . 6.500 3.529 3.529 3.529 . 0 0 "[ ]" 1
124 1 6 TYR CZ 1 39 ILE H . . 7.200 2.794 2.794 2.794 . 0 0 "[ ]" 1
125 1 6 TYR CZ 1 39 ILE HB . . 5.900 3.228 3.228 3.228 . 0 0 "[ ]" 1
126 1 6 TYR CZ 1 39 ILE QG . . 7.000 4.607 4.607 4.607 . 0 0 "[ ]" 1
127 1 6 TYR CZ 1 39 ILE MG . . 8.700 4.231 4.231 4.231 . 0 0 "[ ]" 1
128 1 6 TYR H 1 7 GLU H . . 5.400 4.237 4.237 4.237 . 0 0 "[ ]" 1
129 1 6 TYR H 1 7 GLU HA . . 6.500 5.099 5.099 5.099 . 0 0 "[ ]" 1
130 1 6 TYR H 1 8 ASN H . . 6.500 5.176 5.176 5.176 . 0 0 "[ ]" 1
131 1 6 TYR H 1 12 ASN HA . . 5.200 5.177 5.177 5.177 . 0 0 "[ ]" 1
132 1 6 TYR H 1 12 ASN HB3 . . 5.700 4.813 4.813 4.813 . 0 0 "[ ]" 1
133 1 6 TYR H 1 12 ASN QD . . 6.500 6.497 6.497 6.497 . 0 0 "[ ]" 1
134 1 6 TYR H 1 13 VAL H . . 5.400 3.295 3.295 3.295 . 0 0 "[ ]" 1
135 1 6 TYR H 1 13 VAL HB . . 4.300 3.187 3.187 3.187 . 0 0 "[ ]" 1
136 1 6 TYR H 1 14 THR HA . . 4.800 4.116 4.116 4.116 . 0 0 "[ ]" 1
137 1 6 TYR HA 1 7 GLU H . . 4.700 2.251 2.251 2.251 . 0 0 "[ ]" 1
138 1 6 TYR HA 1 7 GLU HA . . 6.500 4.502 4.502 4.502 . 0 0 "[ ]" 1
139 1 6 TYR HA 1 13 VAL H . . 5.700 4.762 4.762 4.762 . 0 0 "[ ]" 1
140 1 6 TYR HA 1 13 VAL MG1 . . 5.400 5.627 5.627 5.627 0.227 1 0 "[ ]" 1
141 1 6 TYR HB2 1 7 GLU H . . 5.300 4.513 4.513 4.513 . 0 0 "[ ]" 1
142 1 6 TYR HB2 1 8 ASN HD21 . . 6.100 2.978 2.978 2.978 . 0 0 "[ ]" 1
143 1 6 TYR HB2 1 13 VAL H . . 4.800 3.210 3.210 3.210 . 0 0 "[ ]" 1
144 1 6 TYR HB2 1 13 VAL HB . . 4.300 2.252 2.252 2.252 . 0 0 "[ ]" 1
145 1 6 TYR HB3 1 7 GLU H . . 5.400 3.880 3.880 3.880 . 0 0 "[ ]" 1
146 1 6 TYR HB3 1 8 ASN H . . 6.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
147 1 6 TYR HB3 1 8 ASN HD21 . . 5.600 3.341 3.341 3.341 . 0 0 "[ ]" 1
148 1 6 TYR HB3 1 8 ASN HD22 . . 6.500 5.047 5.047 5.047 . 0 0 "[ ]" 1
149 1 6 TYR HB3 1 13 VAL H . . 5.100 4.309 4.309 4.309 . 0 0 "[ ]" 1
150 1 6 TYR HB3 1 13 VAL HB . . 3.900 3.863 3.863 3.863 . 0 0 "[ ]" 1
151 1 6 TYR HB3 1 13 VAL MG1 . . 5.400 4.894 4.894 4.894 . 0 0 "[ ]" 1
152 1 6 TYR HB3 1 13 VAL MG2 . . 5.100 4.697 4.697 4.697 . 0 0 "[ ]" 1
153 1 7 GLU H 1 7 GLU HB2 . . 3.400 3.593 3.593 3.593 0.193 1 0 "[ ]" 1
154 1 7 GLU H 1 7 GLU HB3 . . 3.900 2.982 2.982 2.982 . 0 0 "[ ]" 1
155 1 7 GLU H 1 8 ASN H . . 6.100 3.786 3.786 3.786 . 0 0 "[ ]" 1
156 1 7 GLU H 1 12 ASN HA . . 5.900 5.026 5.026 5.026 . 0 0 "[ ]" 1
157 1 7 GLU H 1 12 ASN QD . . 6.200 4.979 4.979 4.979 . 0 0 "[ ]" 1
158 1 7 GLU H 1 13 VAL H . . 6.500 4.861 4.861 4.861 . 0 0 "[ ]" 1
159 1 7 GLU H 1 13 VAL MG2 . . 7.500 6.622 6.622 6.622 . 0 0 "[ ]" 1
160 1 7 GLU HA 1 8 ASN H . . 3.200 2.141 2.141 2.141 . 0 0 "[ ]" 1
161 1 7 GLU HA 1 8 ASN HD21 . . 5.800 3.682 3.682 3.682 . 0 0 "[ ]" 1
162 1 7 GLU HA 1 12 ASN H . . 6.500 4.571 4.571 4.571 . 0 0 "[ ]" 1
163 1 7 GLU HA 1 12 ASN HB2 . . 5.500 4.049 4.049 4.049 . 0 0 "[ ]" 1
164 1 7 GLU HA 1 12 ASN HB3 . . 4.400 2.640 2.640 2.640 . 0 0 "[ ]" 1
165 1 7 GLU HA 1 12 ASN QD . . 5.200 2.452 2.452 2.452 . 0 0 "[ ]" 1
166 1 7 GLU HB2 1 8 ASN H . . 3.800 4.006 4.006 4.006 0.206 1 0 "[ ]" 1
167 1 7 GLU HB2 1 12 ASN HA . . 4.700 4.886 4.886 4.886 0.186 1 0 "[ ]" 1
168 1 7 GLU HB2 1 12 ASN QD . . 4.300 2.977 2.977 2.977 . 0 0 "[ ]" 1
169 1 7 GLU HB3 1 8 ASN H . . 4.400 4.318 4.318 4.318 . 0 0 "[ ]" 1
170 1 7 GLU HB3 1 12 ASN HA . . 5.000 4.659 4.659 4.659 . 0 0 "[ ]" 1
171 1 7 GLU HB3 1 12 ASN QD . . 5.200 3.496 3.496 3.496 . 0 0 "[ ]" 1
172 1 7 GLU QG 1 8 ASN H . . 6.100 4.415 4.415 4.415 . 0 0 "[ ]" 1
173 1 7 GLU QG 1 12 ASN QD . . 7.100 4.633 4.633 4.633 . 0 0 "[ ]" 1
174 1 8 ASN H 1 8 ASN HD21 . . 5.400 2.009 2.009 2.009 . 0 0 "[ ]" 1
175 1 8 ASN H 1 8 ASN HD22 . . 6.500 3.055 3.055 3.055 . 0 0 "[ ]" 1
176 1 8 ASN H 1 9 LYS H . . 6.500 4.606 4.606 4.606 . 0 0 "[ ]" 1
177 1 8 ASN H 1 9 LYS HA . . 5.400 5.437 5.437 5.437 0.037 1 0 "[ ]" 1
178 1 8 ASN H 1 11 GLY H . . 5.700 4.511 4.511 4.511 . 0 0 "[ ]" 1
179 1 8 ASN H 1 12 ASN H . . 6.300 4.785 4.785 4.785 . 0 0 "[ ]" 1
180 1 8 ASN H 1 12 ASN HA . . 3.700 2.377 2.377 2.377 . 0 0 "[ ]" 1
181 1 8 ASN H 1 12 ASN HB2 . . 6.200 5.108 5.108 5.108 . 0 0 "[ ]" 1
182 1 8 ASN H 1 12 ASN HB3 . . 5.900 3.946 3.946 3.946 . 0 0 "[ ]" 1
183 1 8 ASN H 1 12 ASN QD . . 5.800 2.728 2.728 2.728 . 0 0 "[ ]" 1
184 1 8 ASN H 1 13 VAL H . . 5.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
185 1 8 ASN H 1 13 VAL MG2 . . 7.500 4.484 4.484 4.484 . 0 0 "[ ]" 1
186 1 8 ASN HA 1 9 LYS H . . 3.500 2.519 2.519 2.519 . 0 0 "[ ]" 1
187 1 8 ASN HA 1 9 LYS HA . . 6.100 4.152 4.152 4.152 . 0 0 "[ ]" 1
188 1 8 ASN HA 1 9 LYS HB2 . . 5.700 4.388 4.388 4.388 . 0 0 "[ ]" 1
189 1 8 ASN HA 1 9 LYS HB3 . . 5.600 5.064 5.064 5.064 . 0 0 "[ ]" 1
190 1 8 ASN HA 1 10 LYS H . . 5.000 4.752 4.752 4.752 . 0 0 "[ ]" 1
191 1 8 ASN HA 1 11 GLY H . . 6.500 5.406 5.406 5.406 . 0 0 "[ ]" 1
192 1 8 ASN HB2 1 9 LYS H . . 4.200 2.401 2.401 2.401 . 0 0 "[ ]" 1
193 1 8 ASN HB2 1 66 HIS HD1 . . 4.400 4.795 4.795 4.795 0.395 1 0 "[ ]" 1
194 1 8 ASN HB3 1 9 LYS H . . 4.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
195 1 8 ASN HB3 1 10 LYS H . . 5.100 5.064 5.064 5.064 . 0 0 "[ ]" 1
196 1 8 ASN HB3 1 10 LYS QB . . 7.500 5.489 5.489 5.489 . 0 0 "[ ]" 1
197 1 8 ASN HB3 1 11 GLY H . . 6.500 5.228 5.228 5.228 . 0 0 "[ ]" 1
198 1 8 ASN HD21 1 9 LYS H . . 5.700 5.298 5.298 5.298 . 0 0 "[ ]" 1
199 1 8 ASN HD21 1 12 ASN HA . . 4.100 2.595 2.595 2.595 . 0 0 "[ ]" 1
200 1 8 ASN HD21 1 13 VAL MG2 . . 6.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
201 1 8 ASN HD21 1 66 HIS HD1 . . 4.900 3.798 3.798 3.798 . 0 0 "[ ]" 1
202 1 8 ASN HD22 1 9 LYS H . . 6.400 5.535 5.535 5.535 . 0 0 "[ ]" 1
203 1 8 ASN HD22 1 11 GLY H . . 5.300 3.267 3.267 3.267 . 0 0 "[ ]" 1
204 1 8 ASN HD22 1 12 ASN HA . . 4.000 2.388 2.388 2.388 . 0 0 "[ ]" 1
205 1 8 ASN HD22 1 13 VAL H . . 5.100 2.540 2.540 2.540 . 0 0 "[ ]" 1
206 1 8 ASN HD22 1 13 VAL HB . . 6.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
207 1 8 ASN HD22 1 13 VAL MG2 . . 5.900 1.999 1.999 1.999 . 0 0 "[ ]" 1
208 1 8 ASN HD22 1 66 HIS HD1 . . 3.900 2.202 2.202 2.202 . 0 0 "[ ]" 1
209 1 8 ASN HD22 1 66 HIS HE1 . . 4.900 3.634 3.634 3.634 . 0 0 "[ ]" 1
210 1 9 LYS H 1 9 LYS HB2 . . 3.900 2.333 2.333 2.333 . 0 0 "[ ]" 1
211 1 9 LYS H 1 9 LYS HB3 . . 3.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
212 1 9 LYS H 1 9 LYS QD . . 5.700 4.461 4.461 4.461 . 0 0 "[ ]" 1
213 1 9 LYS H 1 9 LYS HE2 . . 6.500 4.967 4.967 4.967 . 0 0 "[ ]" 1
214 1 9 LYS H 1 9 LYS QE . . 7.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
215 1 9 LYS H 1 9 LYS HE3 . . 4.200 3.883 3.883 3.883 . 0 0 "[ ]" 1
216 1 9 LYS H 1 9 LYS QG . . 5.100 4.020 4.020 4.020 . 0 0 "[ ]" 1
217 1 9 LYS H 1 10 LYS H . . 4.300 2.726 2.726 2.726 . 0 0 "[ ]" 1
218 1 9 LYS H 1 10 LYS QB . . 7.500 4.847 4.847 4.847 . 0 0 "[ ]" 1
219 1 9 LYS H 1 11 GLY H . . 5.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
220 1 9 LYS HA 1 9 LYS HE2 . . 5.200 2.467 2.467 2.467 . 0 0 "[ ]" 1
221 1 9 LYS HA 1 9 LYS HE3 . . 5.200 2.234 2.234 2.234 . 0 0 "[ ]" 1
222 1 9 LYS HA 1 10 LYS H . . 4.800 3.523 3.523 3.523 . 0 0 "[ ]" 1
223 1 9 LYS HA 1 11 GLY H . . 5.400 4.562 4.562 4.562 . 0 0 "[ ]" 1
224 1 9 LYS HB2 1 10 LYS H . . 4.600 3.726 3.726 3.726 . 0 0 "[ ]" 1
225 1 9 LYS HB2 1 11 GLY H . . 6.500 6.008 6.008 6.008 . 0 0 "[ ]" 1
226 1 9 LYS HB3 1 9 LYS HE2 . . 4.400 4.394 4.394 4.394 . 0 0 "[ ]" 1
227 1 9 LYS HB3 1 9 LYS QE . . 4.800 3.643 3.643 3.643 . 0 0 "[ ]" 1
228 1 9 LYS HB3 1 9 LYS HE3 . . 5.300 3.889 3.889 3.889 . 0 0 "[ ]" 1
229 1 9 LYS HB3 1 10 LYS H . . 3.700 2.453 2.453 2.453 . 0 0 "[ ]" 1
230 1 9 LYS QD 1 10 LYS H . . 5.800 5.251 5.251 5.251 . 0 0 "[ ]" 1
231 1 9 LYS QG 1 10 LYS QG . . 7.500 4.535 4.535 4.535 . 0 0 "[ ]" 1
232 1 10 LYS H 1 10 LYS HE2 . . 6.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
233 1 10 LYS H 1 10 LYS QG . . 5.000 2.163 2.163 2.163 . 0 0 "[ ]" 1
234 1 10 LYS H 1 11 GLY H . . 3.600 2.879 2.879 2.879 . 0 0 "[ ]" 1
235 1 10 LYS H 1 66 HIS HD1 . . 5.700 4.431 4.431 4.431 . 0 0 "[ ]" 1
236 1 10 LYS HA 1 10 LYS HE2 . . 4.000 2.233 2.233 2.233 . 0 0 "[ ]" 1
237 1 10 LYS HA 1 10 LYS HE3 . . 3.700 2.447 2.447 2.447 . 0 0 "[ ]" 1
238 1 10 LYS HA 1 11 GLY H . . 4.900 3.515 3.515 3.515 . 0 0 "[ ]" 1
239 1 10 LYS QB 1 10 LYS HE3 . . 4.400 3.362 3.362 3.362 . 0 0 "[ ]" 1
240 1 10 LYS QB 1 11 GLY H . . 6.100 2.127 2.127 2.127 . 0 0 "[ ]" 1
241 1 10 LYS QB 1 66 HIS HB2 . . 7.200 4.027 4.027 4.027 . 0 0 "[ ]" 1
242 1 10 LYS QB 1 66 HIS HD1 . . 5.700 2.317 2.317 2.317 . 0 0 "[ ]" 1
243 1 10 LYS QB 1 66 HIS HE1 . . 5.600 3.291 3.291 3.291 . 0 0 "[ ]" 1
244 1 10 LYS HE3 1 10 LYS QG . . 3.600 2.591 2.591 2.591 . 0 0 "[ ]" 1
245 1 10 LYS QG 1 11 GLY H . . 5.300 3.734 3.734 3.734 . 0 0 "[ ]" 1
246 1 10 LYS QG 1 11 GLY HA3 . . 5.700 5.204 5.204 5.204 . 0 0 "[ ]" 1
247 1 10 LYS QG 1 12 ASN QD . . 6.300 6.413 6.413 6.413 0.113 1 0 "[ ]" 1
248 1 10 LYS QG 1 41 LYS HB3 . . 5.500 5.882 5.882 5.882 0.382 1 0 "[ ]" 1
249 1 10 LYS QG 1 66 HIS HA . . 5.800 5.990 5.990 5.990 0.190 1 0 "[ ]" 1
250 1 10 LYS QG 1 66 HIS HB2 . . 5.000 5.201 5.201 5.201 0.201 1 0 "[ ]" 1
251 1 10 LYS QG 1 66 HIS HB3 . . 4.600 4.660 4.660 4.660 0.060 1 0 "[ ]" 1
252 1 10 LYS QG 1 66 HIS HD1 . . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
253 1 10 LYS QG 1 66 HIS HE1 . . 3.900 2.888 2.888 2.888 . 0 0 "[ ]" 1
254 1 11 GLY H 1 12 ASN H . . 4.800 3.797 3.797 3.797 . 0 0 "[ ]" 1
255 1 11 GLY H 1 12 ASN HA . . 6.500 3.960 3.960 3.960 . 0 0 "[ ]" 1
256 1 11 GLY H 1 13 VAL H . . 5.800 5.471 5.471 5.471 . 0 0 "[ ]" 1
257 1 11 GLY H 1 13 VAL MG2 . . 7.500 4.496 4.496 4.496 . 0 0 "[ ]" 1
258 1 11 GLY H 1 66 HIS HA . . 6.500 4.954 4.954 4.954 . 0 0 "[ ]" 1
259 1 11 GLY H 1 66 HIS HB2 . . 6.500 5.624 5.624 5.624 . 0 0 "[ ]" 1
260 1 11 GLY H 1 66 HIS HD1 . . 4.100 2.857 2.857 2.857 . 0 0 "[ ]" 1
261 1 11 GLY H 1 66 HIS HE1 . . 5.100 4.645 4.645 4.645 . 0 0 "[ ]" 1
262 1 11 GLY H 1 67 ILE H . . 6.500 5.778 5.778 5.778 . 0 0 "[ ]" 1
263 1 11 GLY HA2 1 12 ASN H . . 3.600 2.173 2.173 2.173 . 0 0 "[ ]" 1
264 1 11 GLY HA2 1 12 ASN HB3 . . 6.500 5.685 5.685 5.685 . 0 0 "[ ]" 1
265 1 11 GLY HA2 1 66 HIS HA . . 6.100 5.182 5.182 5.182 . 0 0 "[ ]" 1
266 1 11 GLY HA2 1 67 ILE H . . 6.200 4.817 4.817 4.817 . 0 0 "[ ]" 1
267 1 11 GLY HA2 1 68 LYS H . . 5.900 5.587 5.587 5.587 . 0 0 "[ ]" 1
268 1 11 GLY HA2 1 68 LYS QG . . 7.500 3.938 3.938 3.938 . 0 0 "[ ]" 1
269 1 11 GLY HA3 1 12 ASN H . . 3.600 3.235 3.235 3.235 . 0 0 "[ ]" 1
270 1 11 GLY HA3 1 12 ASN HB2 . . 6.500 5.565 5.565 5.565 . 0 0 "[ ]" 1
271 1 11 GLY HA3 1 12 ASN HB3 . . 6.500 6.477 6.477 6.477 . 0 0 "[ ]" 1
272 1 11 GLY HA3 1 66 HIS HA . . 6.100 4.018 4.018 4.018 . 0 0 "[ ]" 1
273 1 11 GLY HA3 1 67 ILE H . . 6.500 4.075 4.075 4.075 . 0 0 "[ ]" 1
274 1 11 GLY HA3 1 67 ILE HB . . 5.500 5.101 5.101 5.101 . 0 0 "[ ]" 1
275 1 11 GLY HA3 1 67 ILE MG . . 7.500 5.670 5.670 5.670 . 0 0 "[ ]" 1
276 1 11 GLY HA3 1 68 LYS QG . . 6.200 3.288 3.288 3.288 . 0 0 "[ ]" 1
277 1 12 ASN H 1 12 ASN HB2 . . 3.700 2.601 2.601 2.601 . 0 0 "[ ]" 1
278 1 12 ASN H 1 12 ASN HB3 . . 4.200 3.582 3.582 3.582 . 0 0 "[ ]" 1
279 1 12 ASN H 1 13 VAL H . . 5.700 4.644 4.644 4.644 . 0 0 "[ ]" 1
280 1 12 ASN H 1 13 VAL MG2 . . 7.500 5.160 5.160 5.160 . 0 0 "[ ]" 1
281 1 12 ASN H 1 67 ILE H . . 6.500 4.050 4.050 4.050 . 0 0 "[ ]" 1
282 1 12 ASN H 1 67 ILE HB . . 6.500 4.133 4.133 4.133 . 0 0 "[ ]" 1
283 1 12 ASN HA 1 13 VAL H . . 3.700 2.226 2.226 2.226 . 0 0 "[ ]" 1
284 1 12 ASN HA 1 13 VAL HA . . 5.300 4.422 4.422 4.422 . 0 0 "[ ]" 1
285 1 12 ASN HA 1 13 VAL MG1 . . 7.500 5.464 5.464 5.464 . 0 0 "[ ]" 1
286 1 12 ASN HA 1 13 VAL MG2 . . 7.500 3.773 3.773 3.773 . 0 0 "[ ]" 1
287 1 12 ASN HB2 1 13 VAL H . . 4.200 4.049 4.049 4.049 . 0 0 "[ ]" 1
288 1 12 ASN HB3 1 13 VAL H . . 4.200 3.079 3.079 3.079 . 0 0 "[ ]" 1
289 1 12 ASN QD 1 13 VAL H . . 4.700 4.160 4.160 4.160 . 0 0 "[ ]" 1
290 1 13 VAL H 1 13 VAL HB . . 4.300 2.415 2.415 2.415 . 0 0 "[ ]" 1
291 1 13 VAL H 1 14 THR H . . 4.900 4.155 4.155 4.155 . 0 0 "[ ]" 1
292 1 13 VAL H 1 66 HIS HD1 . . 6.200 4.522 4.522 4.522 . 0 0 "[ ]" 1
293 1 13 VAL HA 1 14 THR H . . 3.300 2.191 2.191 2.191 . 0 0 "[ ]" 1
294 1 13 VAL HA 1 14 THR HB . . 5.100 4.584 4.584 4.584 . 0 0 "[ ]" 1
295 1 13 VAL HA 1 67 ILE H . . 6.500 3.322 3.322 3.322 . 0 0 "[ ]" 1
296 1 13 VAL HA 1 67 ILE QG . . 6.900 3.565 3.565 3.565 . 0 0 "[ ]" 1
297 1 13 VAL HB 1 14 THR H . . 5.500 4.567 4.567 4.567 . 0 0 "[ ]" 1
298 1 13 VAL MG1 1 14 THR H . . 5.600 3.239 3.239 3.239 . 0 0 "[ ]" 1
299 1 13 VAL MG1 1 65 CYS H . . 7.500 5.088 5.088 5.088 . 0 0 "[ ]" 1
300 1 13 VAL MG1 1 65 CYS HA . . 7.500 3.434 3.434 3.434 . 0 0 "[ ]" 1
301 1 13 VAL MG1 1 66 HIS H . . 7.500 4.375 4.375 4.375 . 0 0 "[ ]" 1
302 1 13 VAL MG1 1 66 HIS HA . . 7.500 4.184 4.184 4.184 . 0 0 "[ ]" 1
303 1 13 VAL MG2 1 14 THR H . . 7.000 4.079 4.079 4.079 . 0 0 "[ ]" 1
304 1 13 VAL MG2 1 65 CYS H . . 7.500 4.521 4.521 4.521 . 0 0 "[ ]" 1
305 1 13 VAL MG2 1 65 CYS HB2 . . 6.400 2.673 2.673 2.673 . 0 0 "[ ]" 1
306 1 13 VAL MG2 1 66 HIS H . . 7.500 3.001 3.001 3.001 . 0 0 "[ ]" 1
307 1 13 VAL MG2 1 66 HIS HA . . 5.500 2.381 2.381 2.381 . 0 0 "[ ]" 1
308 1 13 VAL MG2 1 66 HIS HD1 . . 5.400 2.337 2.337 2.337 . 0 0 "[ ]" 1
309 1 13 VAL MG2 1 66 HIS HE1 . . 5.300 2.823 2.823 2.823 . 0 0 "[ ]" 1
310 1 13 VAL MG2 1 67 ILE H . . 7.500 4.012 4.012 4.012 . 0 0 "[ ]" 1
311 1 14 THR H 1 14 THR HB . . 3.600 2.503 2.503 2.503 . 0 0 "[ ]" 1
312 1 14 THR H 1 15 PHE CZ . . 8.500 8.434 8.434 8.434 . 0 0 "[ ]" 1
313 1 14 THR H 1 15 PHE H . . 4.700 4.625 4.625 4.625 . 0 0 "[ ]" 1
314 1 14 THR H 1 66 HIS HA . . 6.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
315 1 14 THR H 1 67 ILE H . . 6.500 3.799 3.799 3.799 . 0 0 "[ ]" 1
316 1 14 THR H 1 67 ILE MD . . 7.500 3.421 3.421 3.421 . 0 0 "[ ]" 1
317 1 14 THR H 1 67 ILE MG . . 7.500 5.416 5.416 5.416 . 0 0 "[ ]" 1
318 1 14 THR HA 1 15 PHE CG . . 8.500 4.991 4.991 4.991 . 0 0 "[ ]" 1
319 1 14 THR HA 1 15 PHE H . . 3.300 2.243 2.243 2.243 . 0 0 "[ ]" 1
320 1 14 THR HB 1 15 PHE H . . 4.800 4.027 4.027 4.027 . 0 0 "[ ]" 1
321 1 14 THR HB 1 67 ILE H . . 6.500 5.545 5.545 5.545 . 0 0 "[ ]" 1
322 1 14 THR MG 1 15 PHE H . . 5.100 2.529 2.529 2.529 . 0 0 "[ ]" 1
323 1 15 PHE CG 1 16 ASP H . . 7.600 4.851 4.851 4.851 . 0 0 "[ ]" 1
324 1 15 PHE CZ 1 15 PHE H . . 7.500 5.134 5.134 5.134 . 0 0 "[ ]" 1
325 1 15 PHE CZ 1 37 ILE H . . 8.200 7.279 7.279 7.279 . 0 0 "[ ]" 1
326 1 15 PHE CZ 1 37 ILE HB . . 8.100 6.846 6.846 6.846 . 0 0 "[ ]" 1
327 1 15 PHE CZ 1 37 ILE HG13 . . 8.200 7.096 7.096 7.096 . 0 0 "[ ]" 1
328 1 15 PHE CZ 1 38 ALA HA . . 8.200 6.736 6.736 6.736 . 0 0 "[ ]" 1
329 1 15 PHE CZ 1 39 ILE HB . . 6.500 5.430 5.430 5.430 . 0 0 "[ ]" 1
330 1 15 PHE CZ 1 39 ILE MD . . 9.500 7.442 7.442 7.442 . 0 0 "[ ]" 1
331 1 15 PHE CZ 1 39 ILE QG . . 6.800 5.963 5.963 5.963 . 0 0 "[ ]" 1
332 1 15 PHE CZ 1 39 ILE MG . . 9.500 6.106 6.106 6.106 . 0 0 "[ ]" 1
333 1 15 PHE H 1 16 ASP H . . 5.200 3.825 3.825 3.825 . 0 0 "[ ]" 1
334 1 15 PHE QB 1 16 ASP H . . 5.100 3.493 3.493 3.493 . 0 0 "[ ]" 1
335 1 15 PHE HZ 1 37 ILE H . . 6.400 6.489 6.489 6.489 0.089 1 0 "[ ]" 1
336 1 15 PHE HZ 1 39 ILE MG . . 7.500 6.250 6.250 6.250 . 0 0 "[ ]" 1
337 1 16 ASP H 1 17 HIS H . . 5.700 3.824 3.824 3.824 . 0 0 "[ ]" 1
338 1 16 ASP HB2 1 17 HIS H . . 5.700 4.443 4.443 4.443 . 0 0 "[ ]" 1
339 1 16 ASP HB2 1 19 ALA MB . . 5.600 2.163 2.163 2.163 . 0 0 "[ ]" 1
340 1 16 ASP HB3 1 17 HIS H . . 5.200 4.263 4.263 4.263 . 0 0 "[ ]" 1
341 1 16 ASP HB3 1 19 ALA H . . 5.900 2.862 2.862 2.862 . 0 0 "[ ]" 1
342 1 16 ASP HB3 1 19 ALA MB . . 4.900 2.112 2.112 2.112 . 0 0 "[ ]" 1
343 1 16 ASP HB3 1 20 HIS H . . 5.800 4.116 4.116 4.116 . 0 0 "[ ]" 1
344 1 17 HIS H 1 17 HIS HB2 . . 3.700 2.250 2.250 2.250 . 0 0 "[ ]" 1
345 1 17 HIS H 1 17 HIS HB3 . . 3.800 2.572 2.572 2.572 . 0 0 "[ ]" 1
346 1 17 HIS H 1 18 LYS H . . 4.600 3.077 3.077 3.077 . 0 0 "[ ]" 1
347 1 17 HIS H 1 18 LYS HA . . 6.500 5.676 5.676 5.676 . 0 0 "[ ]" 1
348 1 17 HIS H 1 19 ALA H . . 5.900 4.351 4.351 4.351 . 0 0 "[ ]" 1
349 1 17 HIS H 1 19 ALA MB . . 6.100 4.813 4.813 4.813 . 0 0 "[ ]" 1
350 1 17 HIS H 1 20 HIS H . . 6.500 4.838 4.838 4.838 . 0 0 "[ ]" 1
351 1 17 HIS HA 1 18 LYS H . . 5.700 3.546 3.546 3.546 . 0 0 "[ ]" 1
352 1 17 HIS HB2 1 18 LYS H . . 4.500 3.567 3.567 3.567 . 0 0 "[ ]" 1
353 1 17 HIS HB3 1 18 LYS H . . 5.300 2.133 2.133 2.133 . 0 0 "[ ]" 1
354 1 18 LYS H 1 18 LYS HB2 . . 3.500 2.696 2.696 2.696 . 0 0 "[ ]" 1
355 1 18 LYS H 1 18 LYS HB3 . . 3.900 2.274 2.274 2.274 . 0 0 "[ ]" 1
356 1 18 LYS H 1 18 LYS QD . . 5.100 4.412 4.412 4.412 . 0 0 "[ ]" 1
357 1 18 LYS H 1 18 LYS QG . . 4.800 3.838 3.838 3.838 . 0 0 "[ ]" 1
358 1 18 LYS H 1 19 ALA H . . 3.900 2.871 2.871 2.871 . 0 0 "[ ]" 1
359 1 18 LYS H 1 19 ALA MB . . 5.500 4.503 4.503 4.503 . 0 0 "[ ]" 1
360 1 18 LYS H 1 21 ALA MB . . 5.200 4.355 4.355 4.355 . 0 0 "[ ]" 1
361 1 18 LYS HA 1 18 LYS QD . . 3.500 3.943 3.943 3.943 0.443 1 0 "[ ]" 1
362 1 18 LYS HA 1 18 LYS QG . . 3.000 2.497 2.497 2.497 . 0 0 "[ ]" 1
363 1 18 LYS HA 1 19 ALA H . . 4.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
364 1 18 LYS HA 1 20 HIS H . . 6.200 4.806 4.806 4.806 . 0 0 "[ ]" 1
365 1 18 LYS HA 1 21 ALA MB . . 3.600 2.403 2.403 2.403 . 0 0 "[ ]" 1
366 1 18 LYS HA 1 22 GLU H . . 5.000 3.973 3.973 3.973 . 0 0 "[ ]" 1
367 1 18 LYS HB2 1 18 LYS QD . . 2.900 2.319 2.319 2.319 . 0 0 "[ ]" 1
368 1 18 LYS HB2 1 19 ALA H . . 3.800 3.934 3.934 3.934 0.134 1 0 "[ ]" 1
369 1 18 LYS HB3 1 19 ALA H . . 4.800 2.524 2.524 2.524 . 0 0 "[ ]" 1
370 1 18 LYS QD 1 19 ALA H . . 4.000 4.357 4.357 4.357 0.357 1 0 "[ ]" 1
371 1 18 LYS QG 1 19 ALA H . . 4.000 2.926 2.926 2.926 . 0 0 "[ ]" 1
372 1 18 LYS QG 1 19 ALA HA . . 4.600 3.106 3.106 3.106 . 0 0 "[ ]" 1
373 1 19 ALA H 1 19 ALA MB . . 3.500 2.239 2.239 2.239 . 0 0 "[ ]" 1
374 1 19 ALA H 1 20 HIS H . . 4.000 2.881 2.881 2.881 . 0 0 "[ ]" 1
375 1 19 ALA H 1 20 HIS HA . . 6.500 5.499 5.499 5.499 . 0 0 "[ ]" 1
376 1 19 ALA H 1 20 HIS HD1 . . 5.400 4.288 4.288 4.288 . 0 0 "[ ]" 1
377 1 19 ALA H 1 21 ALA H . . 4.900 3.926 3.926 3.926 . 0 0 "[ ]" 1
378 1 19 ALA HA 1 20 HIS H . . 4.400 3.600 3.600 3.600 . 0 0 "[ ]" 1
379 1 19 ALA HA 1 20 HIS HA . . 5.900 4.854 4.854 4.854 . 0 0 "[ ]" 1
380 1 19 ALA HA 1 21 ALA H . . 5.300 4.249 4.249 4.249 . 0 0 "[ ]" 1
381 1 19 ALA HA 1 22 GLU H . . 4.400 3.565 3.565 3.565 . 0 0 "[ ]" 1
382 1 19 ALA HA 1 22 GLU QB . . 4.200 4.318 4.318 4.318 0.118 1 0 "[ ]" 1
383 1 19 ALA HA 1 22 GLU HG2 . . 3.700 2.289 2.289 2.289 . 0 0 "[ ]" 1
384 1 19 ALA HA 1 22 GLU QG . . 5.100 2.260 2.260 2.260 . 0 0 "[ ]" 1
385 1 19 ALA HA 1 22 GLU HG3 . . 3.900 3.490 3.490 3.490 . 0 0 "[ ]" 1
386 1 19 ALA HA 1 23 LYS H . . 5.700 3.683 3.683 3.683 . 0 0 "[ ]" 1
387 1 19 ALA MB 1 20 HIS H . . 3.700 2.182 2.182 2.182 . 0 0 "[ ]" 1
388 1 19 ALA MB 1 20 HIS HD1 . . 5.900 2.790 2.790 2.790 . 0 0 "[ ]" 1
389 1 19 ALA MB 1 21 ALA H . . 4.800 4.145 4.145 4.145 . 0 0 "[ ]" 1
390 1 19 ALA MB 1 22 GLU H . . 5.800 4.651 4.651 4.651 . 0 0 "[ ]" 1
391 1 20 HIS H 1 20 HIS HD1 . . 3.700 2.294 2.294 2.294 . 0 0 "[ ]" 1
392 1 20 HIS H 1 21 ALA H . . 3.600 2.582 2.582 2.582 . 0 0 "[ ]" 1
393 1 20 HIS H 1 21 ALA HA . . 6.500 5.260 5.260 5.260 . 0 0 "[ ]" 1
394 1 20 HIS H 1 21 ALA MB . . 5.200 4.354 4.354 4.354 . 0 0 "[ ]" 1
395 1 20 HIS H 1 22 GLU H . . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
396 1 20 HIS HA 1 21 ALA H . . 5.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
397 1 20 HIS HA 1 23 LYS H . . 4.900 3.961 3.961 3.961 . 0 0 "[ ]" 1
398 1 20 HIS HA 1 23 LYS HB2 . . 5.100 2.688 2.688 2.688 . 0 0 "[ ]" 1
399 1 20 HIS HA 1 23 LYS HB3 . . 4.100 4.204 4.204 4.204 0.104 1 0 "[ ]" 1
400 1 20 HIS HA 1 23 LYS QG . . 4.400 3.443 3.443 3.443 . 0 0 "[ ]" 1
401 1 20 HIS HA 1 24 LEU H . . 5.500 3.622 3.622 3.622 . 0 0 "[ ]" 1
402 1 20 HIS HA 1 24 LEU MD1 . . 6.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
403 1 20 HIS QB 1 21 ALA H . . 5.600 2.638 2.638 2.638 . 0 0 "[ ]" 1
404 1 20 HIS QB 1 22 GLU H . . 7.100 4.935 4.935 4.935 . 0 0 "[ ]" 1
405 1 20 HIS HB3 1 21 ALA H . . 3.800 3.585 3.585 3.585 . 0 0 "[ ]" 1
406 1 20 HIS HD1 1 21 ALA H . . 5.100 4.587 4.587 4.587 . 0 0 "[ ]" 1
407 1 20 HIS HD1 1 21 ALA MB . . 7.500 5.958 5.958 5.958 . 0 0 "[ ]" 1
408 1 21 ALA H 1 21 ALA MB . . 3.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
409 1 21 ALA H 1 22 GLU H . . 3.900 2.792 2.792 2.792 . 0 0 "[ ]" 1
410 1 21 ALA H 1 22 GLU HG2 . . 4.300 4.305 4.305 4.305 0.005 1 0 "[ ]" 1
411 1 21 ALA H 1 22 GLU QG . . 5.900 4.212 4.212 4.212 . 0 0 "[ ]" 1
412 1 21 ALA H 1 23 LYS H . . 5.200 4.258 4.258 4.258 . 0 0 "[ ]" 1
413 1 21 ALA H 1 24 LEU H . . 6.200 4.664 4.664 4.664 . 0 0 "[ ]" 1
414 1 21 ALA H 1 25 GLY H . . 5.500 5.153 5.153 5.153 . 0 0 "[ ]" 1
415 1 21 ALA HA 1 23 LYS H . . 6.500 4.855 4.855 4.855 . 0 0 "[ ]" 1
416 1 21 ALA HA 1 24 LEU H . . 4.400 3.895 3.895 3.895 . 0 0 "[ ]" 1
417 1 21 ALA HA 1 24 LEU MD1 . . 7.500 4.197 4.197 4.197 . 0 0 "[ ]" 1
418 1 21 ALA HA 1 25 GLY H . . 3.900 2.916 2.916 2.916 . 0 0 "[ ]" 1
419 1 21 ALA HA 1 26 CYS H . . 5.500 4.580 4.580 4.580 . 0 0 "[ ]" 1
420 1 21 ALA MB 1 22 GLU H . . 3.900 2.460 2.460 2.460 . 0 0 "[ ]" 1
421 1 21 ALA MB 1 23 LYS H . . 5.900 4.577 4.577 4.577 . 0 0 "[ ]" 1
422 1 21 ALA MB 1 24 LEU H . . 6.900 4.849 4.849 4.849 . 0 0 "[ ]" 1
423 1 21 ALA MB 1 25 GLY H . . 5.300 4.142 4.142 4.142 . 0 0 "[ ]" 1
424 1 21 ALA MB 1 25 GLY HA3 . . 5.400 5.765 5.765 5.765 0.365 1 0 "[ ]" 1
425 1 21 ALA MB 1 26 CYS H . . 6.400 5.322 5.322 5.322 . 0 0 "[ ]" 1
426 1 21 ALA MB 1 26 CYS HA . . 7.500 3.730 3.730 3.730 . 0 0 "[ ]" 1
427 1 22 GLU H 1 22 GLU QB . . 3.900 2.606 2.606 2.606 . 0 0 "[ ]" 1
428 1 22 GLU H 1 22 GLU HG2 . . 3.600 2.154 2.154 2.154 . 0 0 "[ ]" 1
429 1 22 GLU H 1 22 GLU QG . . 4.600 2.138 2.138 2.138 . 0 0 "[ ]" 1
430 1 22 GLU H 1 22 GLU HG3 . . 3.600 3.595 3.595 3.595 . 0 0 "[ ]" 1
431 1 22 GLU H 1 23 LYS H . . 4.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
432 1 22 GLU H 1 23 LYS HA . . 6.500 5.230 5.230 5.230 . 0 0 "[ ]" 1
433 1 22 GLU H 1 24 LEU H . . 5.200 4.085 4.085 4.085 . 0 0 "[ ]" 1
434 1 22 GLU H 1 25 GLY H . . 4.400 4.604 4.604 4.604 0.204 1 0 "[ ]" 1
435 1 22 GLU HA 1 22 GLU HG2 . . 4.200 3.713 3.713 3.713 . 0 0 "[ ]" 1
436 1 22 GLU HA 1 22 GLU HG3 . . 3.700 3.900 3.900 3.900 0.200 1 0 "[ ]" 1
437 1 22 GLU HA 1 23 LYS H . . 4.800 3.578 3.578 3.578 . 0 0 "[ ]" 1
438 1 22 GLU QB 1 23 LYS H . . 5.100 3.534 3.534 3.534 . 0 0 "[ ]" 1
439 1 22 GLU QB 1 23 LYS QG . . 3.700 4.329 4.329 4.329 0.629 1 1 [+] 1
440 1 22 GLU HG2 1 23 LYS H . . 3.600 2.363 2.363 2.363 . 0 0 "[ ]" 1
441 1 22 GLU HG3 1 23 LYS H . . 3.300 2.817 2.817 2.817 . 0 0 "[ ]" 1
442 1 23 LYS H 1 23 LYS HB2 . . 3.400 2.409 2.409 2.409 . 0 0 "[ ]" 1
443 1 23 LYS H 1 23 LYS HB3 . . 3.600 3.533 3.533 3.533 . 0 0 "[ ]" 1
444 1 23 LYS H 1 23 LYS QD . . 3.700 3.680 3.680 3.680 . 0 0 "[ ]" 1
445 1 23 LYS H 1 23 LYS QE . . 7.300 4.686 4.686 4.686 . 0 0 "[ ]" 1
446 1 23 LYS H 1 23 LYS QG . . 4.100 2.056 2.056 2.056 . 0 0 "[ ]" 1
447 1 23 LYS H 1 24 LEU H . . 3.800 2.832 2.832 2.832 . 0 0 "[ ]" 1
448 1 23 LYS H 1 24 LEU HA . . 5.500 5.426 5.426 5.426 . 0 0 "[ ]" 1
449 1 23 LYS H 1 24 LEU QB . . 7.500 5.040 5.040 5.040 . 0 0 "[ ]" 1
450 1 23 LYS H 1 24 LEU MD1 . . 7.500 5.244 5.244 5.244 . 0 0 "[ ]" 1
451 1 23 LYS H 1 25 GLY H . . 5.200 4.579 4.579 4.579 . 0 0 "[ ]" 1
452 1 23 LYS HA 1 23 LYS QD . . 3.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
453 1 23 LYS HA 1 23 LYS QG . . 3.300 2.753 2.753 2.753 . 0 0 "[ ]" 1
454 1 23 LYS HA 1 24 LEU H . . 4.200 3.622 3.622 3.622 . 0 0 "[ ]" 1
455 1 23 LYS HB2 1 24 LEU H . . 3.700 2.420 2.420 2.420 . 0 0 "[ ]" 1
456 1 23 LYS HB3 1 23 LYS QD . . 2.900 2.288 2.288 2.288 . 0 0 "[ ]" 1
457 1 23 LYS QD 1 24 LEU H . . 4.700 4.976 4.976 4.976 0.276 1 0 "[ ]" 1
458 1 23 LYS QG 1 24 LEU H . . 4.400 3.988 3.988 3.988 . 0 0 "[ ]" 1
459 1 24 LEU H 1 24 LEU MD2 . . 5.100 3.569 3.569 3.569 . 0 0 "[ ]" 1
460 1 24 LEU H 1 24 LEU HG . . 3.700 2.341 2.341 2.341 . 0 0 "[ ]" 1
461 1 24 LEU H 1 25 GLY H . . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 1
462 1 24 LEU H 1 25 GLY HA3 . . 5.000 5.184 5.184 5.184 0.184 1 0 "[ ]" 1
463 1 24 LEU H 1 26 CYS H . . 6.500 5.668 5.668 5.668 . 0 0 "[ ]" 1
464 1 24 LEU HA 1 24 LEU MD2 . . 4.500 2.261 2.261 2.261 . 0 0 "[ ]" 1
465 1 24 LEU HA 1 24 LEU HG . . 4.000 3.108 3.108 3.108 . 0 0 "[ ]" 1
466 1 24 LEU HA 1 25 GLY H . . 4.400 3.663 3.663 3.663 . 0 0 "[ ]" 1
467 1 24 LEU HA 1 28 ALA MB . . 5.200 4.309 4.309 4.309 . 0 0 "[ ]" 1
468 1 24 LEU QB 1 25 GLY H . . 5.500 2.394 2.394 2.394 . 0 0 "[ ]" 1
469 1 24 LEU QB 1 25 GLY HA3 . . 6.600 4.009 4.009 4.009 . 0 0 "[ ]" 1
470 1 24 LEU MD1 1 25 GLY H . . 7.500 4.161 4.161 4.161 . 0 0 "[ ]" 1
471 1 24 LEU MD1 1 28 ALA MB . . 5.800 2.115 2.115 2.115 . 0 0 "[ ]" 1
472 1 24 LEU MD1 1 29 CYS H . . 7.400 4.973 4.973 4.973 . 0 0 "[ ]" 1
473 1 25 GLY H 1 26 CYS H . . 5.400 3.384 3.384 3.384 . 0 0 "[ ]" 1
474 1 25 GLY H 1 26 CYS HA . . 5.700 4.274 4.274 4.274 . 0 0 "[ ]" 1
475 1 25 GLY H 1 27 ASP H . . 5.100 5.264 5.264 5.264 0.164 1 0 "[ ]" 1
476 1 25 GLY HA2 1 26 CYS H . . 5.400 3.522 3.522 3.522 . 0 0 "[ ]" 1
477 1 25 GLY HA2 1 27 ASP H . . 4.900 4.867 4.867 4.867 . 0 0 "[ ]" 1
478 1 25 GLY HA2 1 28 ALA H . . 5.800 5.780 5.780 5.780 . 0 0 "[ ]" 1
479 1 25 GLY HA3 1 26 CYS H . . 3.400 2.319 2.319 2.319 . 0 0 "[ ]" 1
480 1 25 GLY HA3 1 27 ASP H . . 4.900 3.569 3.569 3.569 . 0 0 "[ ]" 1
481 1 25 GLY HA3 1 28 ALA H . . 5.200 4.292 4.292 4.292 . 0 0 "[ ]" 1
482 1 26 CYS H 1 27 ASP H . . 3.600 1.925 1.925 1.925 . 0 0 "[ ]" 1
483 1 26 CYS H 1 28 ALA H . . 5.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
484 1 26 CYS H 1 28 ALA MB . . 4.800 3.207 3.207 3.207 . 0 0 "[ ]" 1
485 1 26 CYS HA 1 27 ASP H . . 4.500 3.379 3.379 3.379 . 0 0 "[ ]" 1
486 1 26 CYS HA 1 28 ALA H . . 5.100 4.124 4.124 4.124 . 0 0 "[ ]" 1
487 1 26 CYS HA 1 28 ALA MB . . 6.100 3.788 3.788 3.788 . 0 0 "[ ]" 1
488 1 26 CYS HA 1 29 CYS H . . 5.900 3.919 3.919 3.919 . 0 0 "[ ]" 1
489 1 26 CYS HA 1 29 CYS HB3 . . 6.500 6.443 6.443 6.443 . 0 0 "[ ]" 1
490 1 26 CYS HA 1 30 HIS H . . 6.500 4.125 4.125 4.125 . 0 0 "[ ]" 1
491 1 26 CYS HB3 1 27 ASP H . . 5.300 2.462 2.462 2.462 . 0 0 "[ ]" 1
492 1 27 ASP H 1 27 ASP QB . . 3.500 2.377 2.377 2.377 . 0 0 "[ ]" 1
493 1 27 ASP H 1 28 ALA H . . 3.600 2.647 2.647 2.647 . 0 0 "[ ]" 1
494 1 27 ASP H 1 28 ALA HA . . 5.200 5.235 5.235 5.235 0.035 1 0 "[ ]" 1
495 1 27 ASP H 1 28 ALA MB . . 4.900 4.103 4.103 4.103 . 0 0 "[ ]" 1
496 1 27 ASP H 1 29 CYS H . . 5.600 4.371 4.371 4.371 . 0 0 "[ ]" 1
497 1 27 ASP HA 1 28 ALA H . . 4.800 3.501 3.501 3.501 . 0 0 "[ ]" 1
498 1 27 ASP HA 1 29 CYS H . . 5.200 4.134 4.134 4.134 . 0 0 "[ ]" 1
499 1 27 ASP HA 1 30 HIS H . . 4.500 3.693 3.693 3.693 . 0 0 "[ ]" 1
500 1 27 ASP HA 1 30 HIS HB3 . . 5.600 5.579 5.579 5.579 . 0 0 "[ ]" 1
501 1 27 ASP HA 1 31 GLU HA . . 3.500 2.749 2.749 2.749 . 0 0 "[ ]" 1
502 1 27 ASP QB 1 28 ALA H . . 4.700 3.111 3.111 3.111 . 0 0 "[ ]" 1
503 1 27 ASP QB 1 29 CYS H . . 6.500 4.940 4.940 4.940 . 0 0 "[ ]" 1
504 1 27 ASP QB 1 31 GLU QG . . 3.900 4.504 4.504 4.504 0.604 1 1 [+] 1
505 1 28 ALA H 1 28 ALA MB . . 3.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
506 1 28 ALA H 1 29 CYS H . . 4.100 3.078 3.078 3.078 . 0 0 "[ ]" 1
507 1 28 ALA H 1 30 HIS H . . 4.300 4.322 4.322 4.322 0.022 1 0 "[ ]" 1
508 1 28 ALA HA 1 29 CYS H . . 4.900 3.556 3.556 3.556 . 0 0 "[ ]" 1
509 1 28 ALA HA 1 30 HIS H . . 5.900 5.191 5.191 5.191 . 0 0 "[ ]" 1
510 1 28 ALA MB 1 29 CYS H . . 4.400 2.515 2.515 2.515 . 0 0 "[ ]" 1
511 1 28 ALA MB 1 29 CYS HA . . 6.500 4.125 4.125 4.125 . 0 0 "[ ]" 1
512 1 28 ALA MB 1 30 HIS H . . 5.600 4.171 4.171 4.171 . 0 0 "[ ]" 1
513 1 29 CYS H 1 29 CYS HB3 . . 4.300 3.800 3.800 3.800 . 0 0 "[ ]" 1
514 1 29 CYS H 1 30 HIS H . . 3.800 1.965 1.965 1.965 . 0 0 "[ ]" 1
515 1 29 CYS H 1 30 HIS HA . . 6.300 4.768 4.768 4.768 . 0 0 "[ ]" 1
516 1 29 CYS H 1 31 GLU H . . 6.500 5.319 5.319 5.319 . 0 0 "[ ]" 1
517 1 29 CYS H 1 37 ILE MD . . 7.500 5.010 5.010 5.010 . 0 0 "[ ]" 1
518 1 29 CYS HA 1 30 HIS H . . 5.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
519 1 29 CYS HA 1 37 ILE MD . . 7.500 3.705 3.705 3.705 . 0 0 "[ ]" 1
520 1 29 CYS HB2 1 30 HIS H . . 4.500 2.859 2.859 2.859 . 0 0 "[ ]" 1
521 1 29 CYS HB2 1 37 ILE MD . . 6.600 3.078 3.078 3.078 . 0 0 "[ ]" 1
522 1 29 CYS HB3 1 30 HIS H . . 4.800 3.977 3.977 3.977 . 0 0 "[ ]" 1
523 1 29 CYS HB3 1 37 ILE MD . . 6.300 2.284 2.284 2.284 . 0 0 "[ ]" 1
524 1 30 HIS H 1 30 HIS HB3 . . 4.400 3.698 3.698 3.698 . 0 0 "[ ]" 1
525 1 30 HIS H 1 30 HIS HD1 . . 6.500 4.905 4.905 4.905 . 0 0 "[ ]" 1
526 1 30 HIS H 1 31 GLU H . . 5.200 3.868 3.868 3.868 . 0 0 "[ ]" 1
527 1 30 HIS H 1 31 GLU HB3 . . 6.500 6.511 6.511 6.511 0.011 1 0 "[ ]" 1
528 1 30 HIS H 1 37 ILE MD . . 7.500 4.486 4.486 4.486 . 0 0 "[ ]" 1
529 1 30 HIS HA 1 30 HIS HD1 . . 3.700 2.891 2.891 2.891 . 0 0 "[ ]" 1
530 1 30 HIS HA 1 31 GLU H . . 3.100 2.242 2.242 2.242 . 0 0 "[ ]" 1
531 1 30 HIS HA 1 31 GLU HA . . 4.600 4.522 4.522 4.522 . 0 0 "[ ]" 1
532 1 30 HIS HA 1 31 GLU HB2 . . 5.800 4.936 4.936 4.936 . 0 0 "[ ]" 1
533 1 30 HIS HA 1 31 GLU HB3 . . 5.900 5.811 5.811 5.811 . 0 0 "[ ]" 1
534 1 30 HIS HA 1 32 GLY H . . 5.800 4.192 4.192 4.192 . 0 0 "[ ]" 1
535 1 30 HIS HA 1 34 PRO HA . . 5.500 4.286 4.286 4.286 . 0 0 "[ ]" 1
536 1 30 HIS HA 1 34 PRO QG . . 6.300 6.147 6.147 6.147 . 0 0 "[ ]" 1
537 1 30 HIS HA 1 37 ILE MD . . 5.800 3.927 3.927 3.927 . 0 0 "[ ]" 1
538 1 30 HIS HB2 1 31 GLU H . . 4.600 4.462 4.462 4.462 . 0 0 "[ ]" 1
539 1 30 HIS HB2 1 34 PRO HA . . 4.700 4.616 4.616 4.616 . 0 0 "[ ]" 1
540 1 30 HIS HB2 1 34 PRO HB3 . . 3.600 3.689 3.689 3.689 0.089 1 0 "[ ]" 1
541 1 30 HIS HB3 1 31 GLU H . . 5.400 4.017 4.017 4.017 . 0 0 "[ ]" 1
542 1 30 HIS HB3 1 31 GLU HA . . 6.500 5.196 5.196 5.196 . 0 0 "[ ]" 1
543 1 30 HIS HB3 1 34 PRO HA . . 6.500 3.162 3.162 3.162 . 0 0 "[ ]" 1
544 1 30 HIS HB3 1 34 PRO QG . . 4.700 4.066 4.066 4.066 . 0 0 "[ ]" 1
545 1 30 HIS HB3 1 37 ILE MD . . 7.500 4.935 4.935 4.935 . 0 0 "[ ]" 1
546 1 30 HIS HD1 1 31 GLU H . . 4.900 4.990 4.990 4.990 0.090 1 0 "[ ]" 1
547 1 30 HIS HD1 1 34 PRO HA . . 4.000 2.034 2.034 2.034 . 0 0 "[ ]" 1
548 1 30 HIS HD1 1 34 PRO HB2 . . 4.300 3.916 3.916 3.916 . 0 0 "[ ]" 1
549 1 30 HIS HD1 1 34 PRO HB3 . . 3.900 2.985 2.985 2.985 . 0 0 "[ ]" 1
550 1 30 HIS HD1 1 34 PRO QG . . 4.600 4.748 4.748 4.748 0.148 1 0 "[ ]" 1
551 1 30 HIS HD1 1 36 LYS H . . 5.900 5.220 5.220 5.220 . 0 0 "[ ]" 1
552 1 30 HIS HD1 1 37 ILE MD . . 5.900 3.298 3.298 3.298 . 0 0 "[ ]" 1
553 1 30 HIS HD1 1 37 ILE HG12 . . 4.300 2.955 2.955 2.955 . 0 0 "[ ]" 1
554 1 30 HIS HD1 1 37 ILE HG13 . . 4.800 4.028 4.028 4.028 . 0 0 "[ ]" 1
555 1 30 HIS HD1 1 37 ILE MG . . 6.900 4.658 4.658 4.658 . 0 0 "[ ]" 1
556 1 31 GLU H 1 31 GLU QG . . 3.700 1.987 1.987 1.987 . 0 0 "[ ]" 1
557 1 31 GLU H 1 32 GLY H . . 4.700 2.709 2.709 2.709 . 0 0 "[ ]" 1
558 1 31 GLU H 1 32 GLY HA2 . . 6.500 5.367 5.367 5.367 . 0 0 "[ ]" 1
559 1 31 GLU H 1 33 THR H . . 6.500 4.518 4.518 4.518 . 0 0 "[ ]" 1
560 1 31 GLU H 1 37 ILE MD . . 7.500 5.403 5.403 5.403 . 0 0 "[ ]" 1
561 1 31 GLU HA 1 31 GLU QG . . 3.600 2.486 2.486 2.486 . 0 0 "[ ]" 1
562 1 31 GLU HA 1 32 GLY H . . 3.600 3.470 3.470 3.470 . 0 0 "[ ]" 1
563 1 31 GLU HB2 1 32 GLY H . . 4.800 1.988 1.988 1.988 . 0 0 "[ ]" 1
564 1 31 GLU HB3 1 32 GLY H . . 4.700 3.287 3.287 3.287 . 0 0 "[ ]" 1
565 1 31 GLU QG 1 32 GLY H . . 4.100 3.435 3.435 3.435 . 0 0 "[ ]" 1
566 1 32 GLY H 1 33 THR H . . 4.000 2.902 2.902 2.902 . 0 0 "[ ]" 1
567 1 32 GLY HA2 1 33 THR H . . 3.600 3.607 3.607 3.607 0.007 1 0 "[ ]" 1
568 1 32 GLY HA3 1 33 THR H . . 3.500 2.551 2.551 2.551 . 0 0 "[ ]" 1
569 1 33 THR H 1 33 THR HB . . 3.900 3.402 3.402 3.402 . 0 0 "[ ]" 1
570 1 33 THR H 1 34 PRO HD2 . . 5.800 4.836 4.836 4.836 . 0 0 "[ ]" 1
571 1 34 PRO HA 1 34 PRO HD2 . . 4.500 4.086 4.086 4.086 . 0 0 "[ ]" 1
572 1 34 PRO HA 1 35 ALA H . . 6.500 2.219 2.219 2.219 . 0 0 "[ ]" 1
573 1 34 PRO HA 1 35 ALA MB . . 7.500 4.001 4.001 4.001 . 0 0 "[ ]" 1
574 1 34 PRO HA 1 36 LYS H . . 6.400 4.290 4.290 4.290 . 0 0 "[ ]" 1
575 1 34 PRO HB2 1 36 LYS H . . 3.200 3.538 3.538 3.538 0.338 1 0 "[ ]" 1
576 1 34 PRO QG 1 35 ALA H . . 6.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
577 1 34 PRO QG 1 35 ALA MB . . 6.700 4.869 4.869 4.869 . 0 0 "[ ]" 1
578 1 34 PRO QG 1 36 LYS H . . 6.500 4.981 4.981 4.981 . 0 0 "[ ]" 1
579 1 36 LYS H 1 36 LYS HB2 . . 3.900 3.768 3.768 3.768 . 0 0 "[ ]" 1
580 1 36 LYS H 1 36 LYS HE2 . . 6.500 6.523 6.523 6.523 0.023 1 0 "[ ]" 1
581 1 36 LYS H 1 36 LYS HE3 . . 5.900 5.776 5.776 5.776 . 0 0 "[ ]" 1
582 1 36 LYS H 1 36 LYS HG2 . . 3.600 2.898 2.898 2.898 . 0 0 "[ ]" 1
583 1 36 LYS H 1 36 LYS HG3 . . 4.400 4.007 4.007 4.007 . 0 0 "[ ]" 1
584 1 36 LYS H 1 37 ILE H . . 5.500 4.513 4.513 4.513 . 0 0 "[ ]" 1
585 1 36 LYS H 1 37 ILE MD . . 7.500 6.060 6.060 6.060 . 0 0 "[ ]" 1
586 1 36 LYS HA 1 36 LYS HE2 . . 6.500 5.431 5.431 5.431 . 0 0 "[ ]" 1
587 1 36 LYS HA 1 36 LYS HE3 . . 5.600 4.437 4.437 4.437 . 0 0 "[ ]" 1
588 1 36 LYS HA 1 36 LYS HG2 . . 4.100 2.572 2.572 2.572 . 0 0 "[ ]" 1
589 1 36 LYS HA 1 36 LYS HG3 . . 4.500 3.739 3.739 3.739 . 0 0 "[ ]" 1
590 1 36 LYS HA 1 37 ILE HG12 . . 4.800 4.601 4.601 4.601 . 0 0 "[ ]" 1
591 1 36 LYS HA 1 37 ILE HG13 . . 5.400 3.838 3.838 3.838 . 0 0 "[ ]" 1
592 1 36 LYS HB2 1 36 LYS HG2 . . 3.100 2.929 2.929 2.929 . 0 0 "[ ]" 1
593 1 36 LYS HB2 1 37 ILE H . . 5.100 2.995 2.995 2.995 . 0 0 "[ ]" 1
594 1 36 LYS HB3 1 36 LYS HG3 . . 2.800 2.879 2.879 2.879 0.079 1 0 "[ ]" 1
595 1 36 LYS HB3 1 37 ILE H . . 5.000 1.949 1.949 1.949 . 0 0 "[ ]" 1
596 1 36 LYS QD 1 37 ILE H . . 7.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
597 1 36 LYS QD 1 38 ALA H . . 7.500 4.709 4.709 4.709 . 0 0 "[ ]" 1
598 1 36 LYS HE2 1 37 ILE H . . 5.200 5.394 5.394 5.394 0.194 1 0 "[ ]" 1
599 1 36 LYS HE3 1 37 ILE H . . 5.300 3.838 3.838 3.838 . 0 0 "[ ]" 1
600 1 36 LYS HG2 1 37 ILE H . . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
601 1 36 LYS HG3 1 37 ILE H . . 4.900 4.705 4.705 4.705 . 0 0 "[ ]" 1
602 1 37 ILE H 1 37 ILE HB . . 3.800 3.093 3.093 3.093 . 0 0 "[ ]" 1
603 1 37 ILE H 1 37 ILE HG12 . . 4.400 3.854 3.854 3.854 . 0 0 "[ ]" 1
604 1 37 ILE H 1 37 ILE HG13 . . 4.800 3.041 3.041 3.041 . 0 0 "[ ]" 1
605 1 37 ILE H 1 38 ALA H . . 5.700 1.931 1.931 1.931 . 0 0 "[ ]" 1
606 1 37 ILE HA 1 37 ILE HG13 . . 3.900 3.348 3.348 3.348 . 0 0 "[ ]" 1
607 1 37 ILE HA 1 38 ALA H . . 3.400 3.480 3.480 3.480 0.080 1 0 "[ ]" 1
608 1 37 ILE HA 1 38 ALA HA . . 5.500 5.329 5.329 5.329 . 0 0 "[ ]" 1
609 1 37 ILE HB 1 37 ILE HG13 . . 3.000 2.336 2.336 2.336 . 0 0 "[ ]" 1
610 1 37 ILE HB 1 38 ALA H . . 5.200 2.384 2.384 2.384 . 0 0 "[ ]" 1
611 1 37 ILE MD 1 38 ALA H . . 7.400 4.438 4.438 4.438 . 0 0 "[ ]" 1
612 1 37 ILE MD 1 39 ILE H . . 7.500 5.099 5.099 5.099 . 0 0 "[ ]" 1
613 1 37 ILE MD 1 39 ILE MD . . 6.700 3.373 3.373 3.373 . 0 0 "[ ]" 1
614 1 37 ILE HG12 1 38 ALA H . . 4.600 4.596 4.596 4.596 . 0 0 "[ ]" 1
615 1 37 ILE HG13 1 38 ALA H . . 3.200 3.675 3.675 3.675 0.475 1 0 "[ ]" 1
616 1 37 ILE HG13 1 39 ILE QG . . 4.300 4.225 4.225 4.225 . 0 0 "[ ]" 1
617 1 37 ILE MG 1 38 ALA H . . 6.700 3.569 3.569 3.569 . 0 0 "[ ]" 1
618 1 37 ILE MG 1 38 ALA HA . . 7.500 4.818 4.818 4.818 . 0 0 "[ ]" 1
619 1 37 ILE MG 1 39 ILE MD . . 8.500 2.124 2.124 2.124 . 0 0 "[ ]" 1
620 1 38 ALA H 1 38 ALA MB . . 3.500 2.973 2.973 2.973 . 0 0 "[ ]" 1
621 1 38 ALA H 1 39 ILE H . . 4.400 2.831 2.831 2.831 . 0 0 "[ ]" 1
622 1 38 ALA H 1 39 ILE HB . . 6.100 4.716 4.716 4.716 . 0 0 "[ ]" 1
623 1 38 ALA H 1 39 ILE MD . . 7.500 4.670 4.670 4.670 . 0 0 "[ ]" 1
624 1 38 ALA H 1 39 ILE MG . . 7.500 5.743 5.743 5.743 . 0 0 "[ ]" 1
625 1 38 ALA MB 1 40 ASP H . . 5.700 4.766 4.766 4.766 . 0 0 "[ ]" 1
626 1 39 ILE H 1 39 ILE HA . . 3.100 2.956 2.956 2.956 . 0 0 "[ ]" 1
627 1 39 ILE H 1 39 ILE HB . . 3.400 2.340 2.340 2.340 . 0 0 "[ ]" 1
628 1 39 ILE H 1 39 ILE QG . . 4.000 2.696 2.696 2.696 . 0 0 "[ ]" 1
629 1 39 ILE H 1 40 ASP H . . 5.100 4.275 4.275 4.275 . 0 0 "[ ]" 1
630 1 39 ILE HA 1 39 ILE MD . . 4.600 2.099 2.099 2.099 . 0 0 "[ ]" 1
631 1 39 ILE HA 1 40 ASP H . . 3.300 2.044 2.044 2.044 . 0 0 "[ ]" 1
632 1 39 ILE HA 1 43 SER H . . 4.900 4.762 4.762 4.762 . 0 0 "[ ]" 1
633 1 39 ILE HA 1 43 SER HB2 . . 4.700 2.530 2.530 2.530 . 0 0 "[ ]" 1
634 1 39 ILE HA 1 48 ALA MB . . 7.500 4.306 4.306 4.306 . 0 0 "[ ]" 1
635 1 39 ILE HB 1 40 ASP H . . 5.100 4.458 4.458 4.458 . 0 0 "[ ]" 1
636 1 39 ILE MD 1 40 ASP H . . 6.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
637 1 39 ILE MD 1 44 ALA H . . 7.100 3.798 3.798 3.798 . 0 0 "[ ]" 1
638 1 39 ILE MD 1 48 ALA HA . . 7.500 4.184 4.184 4.184 . 0 0 "[ ]" 1
639 1 39 ILE MD 1 48 ALA MB . . 4.500 2.089 2.089 2.089 . 0 0 "[ ]" 1
640 1 39 ILE QG 1 40 ASP H . . 5.100 4.624 4.624 4.624 . 0 0 "[ ]" 1
641 1 39 ILE MG 1 40 ASP H . . 6.000 3.062 3.062 3.062 . 0 0 "[ ]" 1
642 1 39 ILE MG 1 40 ASP HA . . 7.500 4.157 4.157 4.157 . 0 0 "[ ]" 1
643 1 39 ILE MG 1 44 ALA H . . 6.400 2.403 2.403 2.403 . 0 0 "[ ]" 1
644 1 39 ILE MG 1 44 ALA HA . . 6.300 2.345 2.345 2.345 . 0 0 "[ ]" 1
645 1 39 ILE MG 1 44 ALA MB . . 6.300 1.996 1.996 1.996 . 0 0 "[ ]" 1
646 1 39 ILE MG 1 48 ALA MB . . 7.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
647 1 40 ASP H 1 41 LYS H . . 4.900 4.391 4.391 4.391 . 0 0 "[ ]" 1
648 1 40 ASP H 1 43 SER HA . . 5.700 5.058 5.058 5.058 . 0 0 "[ ]" 1
649 1 40 ASP H 1 43 SER HB3 . . 5.600 3.894 3.894 3.894 . 0 0 "[ ]" 1
650 1 40 ASP H 1 44 ALA H . . 4.200 3.356 3.356 3.356 . 0 0 "[ ]" 1
651 1 40 ASP H 1 44 ALA MB . . 4.700 3.983 3.983 3.983 . 0 0 "[ ]" 1
652 1 40 ASP HA 1 41 LYS H . . 3.400 2.400 2.400 2.400 . 0 0 "[ ]" 1
653 1 40 ASP HA 1 42 LYS H . . 6.500 4.667 4.667 4.667 . 0 0 "[ ]" 1
654 1 40 ASP HB2 1 41 LYS H . . 3.500 2.200 2.200 2.200 . 0 0 "[ ]" 1
655 1 40 ASP HB2 1 42 LYS H . . 5.800 3.508 3.508 3.508 . 0 0 "[ ]" 1
656 1 40 ASP HB3 1 41 LYS H . . 3.400 3.634 3.634 3.634 0.234 1 0 "[ ]" 1
657 1 41 LYS H 1 41 LYS HB2 . . 3.400 3.570 3.570 3.570 0.170 1 0 "[ ]" 1
658 1 41 LYS H 1 41 LYS HB3 . . 3.500 3.249 3.249 3.249 . 0 0 "[ ]" 1
659 1 41 LYS H 1 41 LYS HD2 . . 6.200 4.502 4.502 4.502 . 0 0 "[ ]" 1
660 1 41 LYS H 1 41 LYS HD3 . . 6.100 4.410 4.410 4.410 . 0 0 "[ ]" 1
661 1 41 LYS H 1 41 LYS QE . . 7.400 4.030 4.030 4.030 . 0 0 "[ ]" 1
662 1 41 LYS H 1 42 LYS H . . 4.100 3.112 3.112 3.112 . 0 0 "[ ]" 1
663 1 41 LYS H 1 44 ALA MB . . 5.300 4.136 4.136 4.136 . 0 0 "[ ]" 1
664 1 41 LYS HA 1 41 LYS HD2 . . 4.800 5.083 5.083 5.083 0.283 1 0 "[ ]" 1
665 1 41 LYS HA 1 41 LYS HD3 . . 5.400 4.574 4.574 4.574 . 0 0 "[ ]" 1
666 1 41 LYS HA 1 42 LYS H . . 5.600 3.577 3.577 3.577 . 0 0 "[ ]" 1
667 1 41 LYS HB2 1 42 LYS H . . 3.900 2.746 2.746 2.746 . 0 0 "[ ]" 1
668 1 41 LYS HB3 1 42 LYS H . . 3.600 3.945 3.945 3.945 0.345 1 0 "[ ]" 1
669 1 41 LYS HD2 1 42 LYS H . . 6.200 4.057 4.057 4.057 . 0 0 "[ ]" 1
670 1 42 LYS H 1 42 LYS HG2 . . 4.700 3.573 3.573 3.573 . 0 0 "[ ]" 1
671 1 42 LYS H 1 42 LYS HG3 . . 3.800 2.142 2.142 2.142 . 0 0 "[ ]" 1
672 1 42 LYS H 1 43 SER H . . 3.700 2.871 2.871 2.871 . 0 0 "[ ]" 1
673 1 42 LYS H 1 44 ALA H . . 4.900 4.364 4.364 4.364 . 0 0 "[ ]" 1
674 1 42 LYS H 1 44 ALA MB . . 6.400 4.567 4.567 4.567 . 0 0 "[ ]" 1
675 1 42 LYS H 1 45 HIS H . . 6.500 4.775 4.775 4.775 . 0 0 "[ ]" 1
676 1 42 LYS HA 1 42 LYS HG2 . . 3.800 2.801 2.801 2.801 . 0 0 "[ ]" 1
677 1 42 LYS HA 1 42 LYS HG3 . . 4.000 2.942 2.942 2.942 . 0 0 "[ ]" 1
678 1 42 LYS HA 1 43 SER H . . 4.400 3.631 3.631 3.631 . 0 0 "[ ]" 1
679 1 42 LYS HA 1 45 HIS H . . 4.600 4.043 4.043 4.043 . 0 0 "[ ]" 1
680 1 42 LYS HB2 1 42 LYS HG3 . . 3.000 2.624 2.624 2.624 . 0 0 "[ ]" 1
681 1 42 LYS HB3 1 42 LYS HG2 . . 2.500 2.382 2.382 2.382 . 0 0 "[ ]" 1
682 1 42 LYS HB3 1 42 LYS HG3 . . 2.800 3.039 3.039 3.039 0.239 1 0 "[ ]" 1
683 1 42 LYS HB3 1 43 SER H . . 4.600 3.320 3.320 3.320 . 0 0 "[ ]" 1
684 1 42 LYS HG2 1 43 SER H . . 4.700 4.911 4.911 4.911 0.211 1 0 "[ ]" 1
685 1 42 LYS HG3 1 43 SER H . . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1
686 1 42 LYS HG3 1 45 HIS H . . 6.500 6.306 6.306 6.306 . 0 0 "[ ]" 1
687 1 43 SER H 1 43 SER HA . . 3.100 2.806 2.806 2.806 . 0 0 "[ ]" 1
688 1 43 SER H 1 43 SER HB2 . . 3.400 2.643 2.643 2.643 . 0 0 "[ ]" 1
689 1 43 SER H 1 43 SER HB3 . . 3.600 3.565 3.565 3.565 . 0 0 "[ ]" 1
690 1 43 SER H 1 44 ALA H . . 3.500 2.839 2.839 2.839 . 0 0 "[ ]" 1
691 1 43 SER H 1 44 ALA HA . . 5.900 5.467 5.467 5.467 . 0 0 "[ ]" 1
692 1 43 SER H 1 44 ALA MB . . 5.800 4.278 4.278 4.278 . 0 0 "[ ]" 1
693 1 43 SER H 1 45 HIS H . . 5.600 4.498 4.498 4.498 . 0 0 "[ ]" 1
694 1 43 SER HA 1 43 SER HB2 . . 3.100 3.048 3.048 3.048 . 0 0 "[ ]" 1
695 1 43 SER HA 1 44 ALA H . . 3.800 3.537 3.537 3.537 . 0 0 "[ ]" 1
696 1 43 SER HA 1 45 HIS H . . 6.500 4.816 4.816 4.816 . 0 0 "[ ]" 1
697 1 43 SER HA 1 46 LYS H . . 4.300 3.635 3.635 3.635 . 0 0 "[ ]" 1
698 1 43 SER HB2 1 44 ALA H . . 4.100 2.270 2.270 2.270 . 0 0 "[ ]" 1
699 1 43 SER HB2 1 44 ALA MB . . 6.100 3.748 3.748 3.748 . 0 0 "[ ]" 1
700 1 43 SER HB2 1 45 HIS H . . 5.300 5.119 5.119 5.119 . 0 0 "[ ]" 1
701 1 43 SER HB2 1 48 ALA MB . . 5.600 3.552 3.552 3.552 . 0 0 "[ ]" 1
702 1 43 SER HB3 1 44 ALA H . . 4.700 3.498 3.498 3.498 . 0 0 "[ ]" 1
703 1 43 SER HB3 1 44 ALA MB . . 7.500 4.848 4.848 4.848 . 0 0 "[ ]" 1
704 1 43 SER HB3 1 45 HIS H . . 5.900 5.911 5.911 5.911 0.011 1 0 "[ ]" 1
705 1 44 ALA H 1 44 ALA MB . . 3.600 2.152 2.152 2.152 . 0 0 "[ ]" 1
706 1 44 ALA H 1 45 HIS H . . 4.300 2.990 2.990 2.990 . 0 0 "[ ]" 1
707 1 44 ALA H 1 45 HIS HB3 . . 6.500 6.479 6.479 6.479 . 0 0 "[ ]" 1
708 1 44 ALA H 1 46 LYS H . . 5.600 4.040 4.040 4.040 . 0 0 "[ ]" 1
709 1 44 ALA H 1 48 ALA MB . . 4.200 3.518 3.518 3.518 . 0 0 "[ ]" 1
710 1 44 ALA HA 1 45 HIS H . . 4.900 3.596 3.596 3.596 . 0 0 "[ ]" 1
711 1 44 ALA HA 1 48 ALA H . . 4.100 3.922 3.922 3.922 . 0 0 "[ ]" 1
712 1 44 ALA HA 1 48 ALA MB . . 3.600 2.115 2.115 2.115 . 0 0 "[ ]" 1
713 1 44 ALA HA 1 49 CYS H . . 4.200 2.060 2.060 2.060 . 0 0 "[ ]" 1
714 1 44 ALA HA 1 49 CYS HB2 . . 4.400 3.340 3.340 3.340 . 0 0 "[ ]" 1
715 1 44 ALA HA 1 50 LYS H . . 5.400 3.657 3.657 3.657 . 0 0 "[ ]" 1
716 1 44 ALA MB 1 45 HIS H . . 4.100 2.157 2.157 2.157 . 0 0 "[ ]" 1
717 1 44 ALA MB 1 45 HIS HA . . 5.200 3.736 3.736 3.736 . 0 0 "[ ]" 1
718 1 44 ALA MB 1 46 LYS H . . 5.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
719 1 44 ALA MB 1 49 CYS H . . 7.500 3.503 3.503 3.503 . 0 0 "[ ]" 1
720 1 44 ALA MB 1 49 CYS HB2 . . 7.500 3.054 3.054 3.054 . 0 0 "[ ]" 1
721 1 44 ALA MB 1 49 CYS HB3 . . 7.500 4.255 4.255 4.255 . 0 0 "[ ]" 1
722 1 45 HIS H 1 46 LYS H . . 4.200 2.584 2.584 2.584 . 0 0 "[ ]" 1
723 1 45 HIS HA 1 46 LYS H . . 5.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
724 1 45 HIS HA 1 49 CYS HB2 . . 5.800 4.536 4.536 4.536 . 0 0 "[ ]" 1
725 1 45 HIS HA 1 50 LYS H . . 6.100 3.367 3.367 3.367 . 0 0 "[ ]" 1
726 1 45 HIS HB2 1 46 LYS H . . 4.600 3.161 3.161 3.161 . 0 0 "[ ]" 1
727 1 45 HIS HB3 1 46 LYS H . . 5.600 3.808 3.808 3.808 . 0 0 "[ ]" 1
728 1 46 LYS H 1 46 LYS QD . . 5.500 4.189 4.189 4.189 . 0 0 "[ ]" 1
729 1 46 LYS H 1 47 ASP H . . 4.600 2.672 2.672 2.672 . 0 0 "[ ]" 1
730 1 46 LYS H 1 47 ASP HB2 . . 6.500 5.578 5.578 5.578 . 0 0 "[ ]" 1
731 1 46 LYS H 1 48 ALA H . . 4.500 4.156 4.156 4.156 . 0 0 "[ ]" 1
732 1 46 LYS H 1 48 ALA HA . . 6.500 6.581 6.581 6.581 0.081 1 0 "[ ]" 1
733 1 46 LYS H 1 49 CYS H . . 5.400 5.303 5.303 5.303 . 0 0 "[ ]" 1
734 1 46 LYS HA 1 46 LYS QD . . 4.200 3.221 3.221 3.221 . 0 0 "[ ]" 1
735 1 46 LYS HA 1 47 ASP H . . 4.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
736 1 46 LYS QB 1 47 ASP H . . 4.500 2.159 2.159 2.159 . 0 0 "[ ]" 1
737 1 46 LYS QB 1 48 ALA H . . 5.900 4.766 4.766 4.766 . 0 0 "[ ]" 1
738 1 46 LYS QD 1 47 ASP H . . 4.600 2.676 2.676 2.676 . 0 0 "[ ]" 1
739 1 46 LYS QD 1 47 ASP HB3 . . 4.300 3.591 3.591 3.591 . 0 0 "[ ]" 1
740 1 46 LYS QD 1 48 ALA H . . 5.700 4.893 4.893 4.893 . 0 0 "[ ]" 1
741 1 46 LYS QG 1 47 ASP H . . 4.300 3.868 3.868 3.868 . 0 0 "[ ]" 1
742 1 46 LYS QG 1 47 ASP HA . . 7.100 5.306 5.306 5.306 . 0 0 "[ ]" 1
743 1 47 ASP H 1 47 ASP HB2 . . 3.900 3.025 3.025 3.025 . 0 0 "[ ]" 1
744 1 47 ASP H 1 47 ASP HB3 . . 3.700 3.918 3.918 3.918 0.218 1 0 "[ ]" 1
745 1 47 ASP H 1 48 ALA H . . 3.700 2.901 2.901 2.901 . 0 0 "[ ]" 1
746 1 47 ASP H 1 48 ALA MB . . 5.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
747 1 47 ASP H 1 49 CYS H . . 5.100 5.125 5.125 5.125 0.025 1 0 "[ ]" 1
748 1 47 ASP HA 1 48 ALA H . . 4.300 2.366 2.366 2.366 . 0 0 "[ ]" 1
749 1 47 ASP HA 1 49 CYS H . . 5.900 5.276 5.276 5.276 . 0 0 "[ ]" 1
750 1 47 ASP HA 1 51 THR MG . . 5.400 2.187 2.187 2.187 . 0 0 "[ ]" 1
751 1 47 ASP HB2 1 48 ALA H . . 4.600 4.574 4.574 4.574 . 0 0 "[ ]" 1
752 1 47 ASP HB2 1 48 ALA MB . . 6.700 4.999 4.999 4.999 . 0 0 "[ ]" 1
753 1 47 ASP HB3 1 48 ALA H . . 4.600 4.259 4.259 4.259 . 0 0 "[ ]" 1
754 1 48 ALA H 1 48 ALA MB . . 3.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
755 1 48 ALA H 1 49 CYS H . . 3.600 2.926 2.926 2.926 . 0 0 "[ ]" 1
756 1 48 ALA H 1 49 CYS HA . . 6.500 4.770 4.770 4.770 . 0 0 "[ ]" 1
757 1 48 ALA H 1 50 LYS H . . 5.300 3.386 3.386 3.386 . 0 0 "[ ]" 1
758 1 48 ALA HA 1 49 CYS H . . 4.500 3.568 3.568 3.568 . 0 0 "[ ]" 1
759 1 48 ALA MB 1 49 CYS H . . 4.300 2.065 2.065 2.065 . 0 0 "[ ]" 1
760 1 48 ALA MB 1 49 CYS HB2 . . 7.500 4.269 4.269 4.269 . 0 0 "[ ]" 1
761 1 48 ALA MB 1 50 LYS H . . 7.300 4.172 4.172 4.172 . 0 0 "[ ]" 1
762 1 49 CYS H 1 50 LYS H . . 4.100 2.687 2.687 2.687 . 0 0 "[ ]" 1
763 1 49 CYS H 1 51 THR H . . 4.700 4.610 4.610 4.610 . 0 0 "[ ]" 1
764 1 49 CYS HA 1 50 LYS H . . 5.600 3.583 3.583 3.583 . 0 0 "[ ]" 1
765 1 49 CYS HA 1 51 THR H . . 6.500 3.902 3.902 3.902 . 0 0 "[ ]" 1
766 1 49 CYS HA 1 52 CYS H . . 6.500 4.230 4.230 4.230 . 0 0 "[ ]" 1
767 1 49 CYS HB2 1 50 LYS H . . 3.900 2.213 2.213 2.213 . 0 0 "[ ]" 1
768 1 49 CYS HB3 1 50 LYS H . . 3.800 3.551 3.551 3.551 . 0 0 "[ ]" 1
769 1 50 LYS H 1 51 THR H . . 4.500 3.268 3.268 3.268 . 0 0 "[ ]" 1
770 1 50 LYS HA 1 51 THR H . . 5.100 2.781 2.781 2.781 . 0 0 "[ ]" 1
771 1 50 LYS HA 1 51 THR HB . . 5.900 5.096 5.096 5.096 . 0 0 "[ ]" 1
772 1 50 LYS HA 1 52 CYS H . . 6.300 4.708 4.708 4.708 . 0 0 "[ ]" 1
773 1 50 LYS HA 1 53 HIS H . . 5.200 3.877 3.877 3.877 . 0 0 "[ ]" 1
774 1 50 LYS HA 1 53 HIS HD1 . . 5.000 4.114 4.114 4.114 . 0 0 "[ ]" 1
775 1 51 THR H 1 51 THR HB . . 3.700 3.167 3.167 3.167 . 0 0 "[ ]" 1
776 1 51 THR H 1 52 CYS H . . 4.300 2.033 2.033 2.033 . 0 0 "[ ]" 1
777 1 51 THR H 1 52 CYS HA . . 6.100 4.492 4.492 4.492 . 0 0 "[ ]" 1
778 1 51 THR H 1 52 CYS HB3 . . 5.600 4.467 4.467 4.467 . 0 0 "[ ]" 1
779 1 51 THR H 1 53 HIS H . . 5.700 2.919 2.919 2.919 . 0 0 "[ ]" 1
780 1 51 THR H 1 54 LYS H . . 5.700 4.222 4.222 4.222 . 0 0 "[ ]" 1
781 1 51 THR H 1 54 LYS HD2 . . 4.900 4.993 4.993 4.993 0.093 1 0 "[ ]" 1
782 1 51 THR HA 1 52 CYS H . . 4.100 3.594 3.594 3.594 . 0 0 "[ ]" 1
783 1 51 THR HA 1 52 CYS HB2 . . 6.500 5.522 5.522 5.522 . 0 0 "[ ]" 1
784 1 51 THR HB 1 52 CYS H . . 4.800 3.636 3.636 3.636 . 0 0 "[ ]" 1
785 1 51 THR HB 1 52 CYS HB2 . . 6.500 5.551 5.551 5.551 . 0 0 "[ ]" 1
786 1 51 THR HB 1 53 HIS H . . 6.300 5.803 5.803 5.803 . 0 0 "[ ]" 1
787 1 51 THR MG 1 52 CYS H . . 6.400 1.996 1.996 1.996 . 0 0 "[ ]" 1
788 1 51 THR MG 1 52 CYS HA . . 6.600 3.236 3.236 3.236 . 0 0 "[ ]" 1
789 1 51 THR MG 1 52 CYS HB3 . . 7.300 4.557 4.557 4.557 . 0 0 "[ ]" 1
790 1 51 THR MG 1 54 LYS H . . 7.500 5.105 5.105 5.105 . 0 0 "[ ]" 1
791 1 52 CYS H 1 52 CYS HB2 . . 3.800 2.021 2.021 2.021 . 0 0 "[ ]" 1
792 1 52 CYS H 1 52 CYS HB3 . . 3.700 3.268 3.268 3.268 . 0 0 "[ ]" 1
793 1 52 CYS H 1 53 HIS H . . 4.300 2.941 2.941 2.941 . 0 0 "[ ]" 1
794 1 52 CYS HA 1 53 HIS H . . 5.600 3.597 3.597 3.597 . 0 0 "[ ]" 1
795 1 52 CYS HB2 1 53 HIS H . . 4.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
796 1 52 CYS HB2 1 53 HIS HD1 . . 6.500 6.490 6.490 6.490 . 0 0 "[ ]" 1
797 1 53 HIS H 1 53 HIS HD1 . . 5.600 4.371 4.371 4.371 . 0 0 "[ ]" 1
798 1 53 HIS H 1 53 HIS HE1 . . 6.300 5.470 5.470 5.470 . 0 0 "[ ]" 1
799 1 53 HIS H 1 54 LYS H . . 4.900 2.918 2.918 2.918 . 0 0 "[ ]" 1
800 1 53 HIS H 1 54 LYS QB . . 6.200 4.973 4.973 4.973 . 0 0 "[ ]" 1
801 1 53 HIS H 1 54 LYS HG3 . . 5.100 4.501 4.501 4.501 . 0 0 "[ ]" 1
802 1 53 HIS HA 1 54 LYS H . . 4.800 3.499 3.499 3.499 . 0 0 "[ ]" 1
803 1 54 LYS H 1 54 LYS HD3 . . 3.800 3.433 3.433 3.433 . 0 0 "[ ]" 1
804 1 54 LYS H 1 54 LYS QE . . 6.700 4.656 4.656 4.656 . 0 0 "[ ]" 1
805 1 54 LYS H 1 54 LYS HG2 . . 4.000 3.661 3.661 3.661 . 0 0 "[ ]" 1
806 1 54 LYS H 1 54 LYS HG3 . . 4.800 2.237 2.237 2.237 . 0 0 "[ ]" 1
807 1 54 LYS H 1 55 SER H . . 4.100 3.031 3.031 3.031 . 0 0 "[ ]" 1
808 1 54 LYS HA 1 54 LYS HD2 . . 4.300 4.649 4.649 4.649 0.349 1 0 "[ ]" 1
809 1 54 LYS HA 1 54 LYS HD3 . . 4.700 4.409 4.409 4.409 . 0 0 "[ ]" 1
810 1 54 LYS HA 1 54 LYS HG2 . . 3.600 2.555 2.555 2.555 . 0 0 "[ ]" 1
811 1 54 LYS HA 1 54 LYS HG3 . . 3.300 2.608 2.608 2.608 . 0 0 "[ ]" 1
812 1 54 LYS HA 1 55 SER H . . 4.600 3.597 3.597 3.597 . 0 0 "[ ]" 1
813 1 54 LYS HA 1 56 ASN H . . 5.100 4.128 4.128 4.128 . 0 0 "[ ]" 1
814 1 54 LYS QB 1 54 LYS HD2 . . 3.100 3.336 3.336 3.336 0.236 1 0 "[ ]" 1
815 1 54 LYS QB 1 54 LYS HD3 . . 2.800 2.263 2.263 2.263 . 0 0 "[ ]" 1
816 1 54 LYS QB 1 54 LYS HG2 . . 2.700 2.300 2.300 2.300 . 0 0 "[ ]" 1
817 1 54 LYS QB 1 55 SER H . . 4.700 2.413 2.413 2.413 . 0 0 "[ ]" 1
818 1 54 LYS HD2 1 54 LYS HG2 . . 2.600 2.524 2.524 2.524 . 0 0 "[ ]" 1
819 1 54 LYS HD3 1 54 LYS HG2 . . 2.700 3.032 3.032 3.032 0.332 1 0 "[ ]" 1
820 1 55 SER H 1 55 SER HB2 . . 4.200 2.557 2.557 2.557 . 0 0 "[ ]" 1
821 1 55 SER H 1 55 SER HB3 . . 4.400 3.585 3.585 3.585 . 0 0 "[ ]" 1
822 1 55 SER H 1 56 ASN H . . 3.600 2.641 2.641 2.641 . 0 0 "[ ]" 1
823 1 55 SER HA 1 56 ASN H . . 4.700 3.364 3.364 3.364 . 0 0 "[ ]" 1
824 1 55 SER HB2 1 56 ASN H . . 5.600 3.526 3.526 3.526 . 0 0 "[ ]" 1
825 1 55 SER HB2 1 56 ASN HD21 . . 6.100 3.601 3.601 3.601 . 0 0 "[ ]" 1
826 1 55 SER HB3 1 56 ASN H . . 6.100 4.382 4.382 4.382 . 0 0 "[ ]" 1
827 1 55 SER HB3 1 56 ASN QB . . 6.000 5.767 5.767 5.767 . 0 0 "[ ]" 1
828 1 56 ASN H 1 57 ASN H . . 5.200 2.230 2.230 2.230 . 0 0 "[ ]" 1
829 1 56 ASN HA 1 57 ASN H . . 4.000 3.626 3.626 3.626 . 0 0 "[ ]" 1
830 1 56 ASN QB 1 57 ASN H . . 5.100 2.555 2.555 2.555 . 0 0 "[ ]" 1
831 1 56 ASN HD21 1 57 ASN H . . 4.700 4.461 4.461 4.461 . 0 0 "[ ]" 1
832 1 57 ASN H 1 57 ASN HB2 . . 3.700 3.390 3.390 3.390 . 0 0 "[ ]" 1
833 1 57 ASN HB2 1 57 ASN HD22 . . 4.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
834 1 59 PRO HA 1 60 THR H . . 4.000 2.259 2.259 2.259 . 0 0 "[ ]" 1
835 1 59 PRO HA 1 60 THR MG . . 4.500 3.812 3.812 3.812 . 0 0 "[ ]" 1
836 1 59 PRO HA 1 61 LYS H . . 4.400 4.385 4.385 4.385 . 0 0 "[ ]" 1
837 1 60 THR H 1 61 LYS H . . 3.300 2.418 2.418 2.418 . 0 0 "[ ]" 1
838 1 60 THR H 1 61 LYS QG . . 5.300 4.288 4.288 4.288 . 0 0 "[ ]" 1
839 1 60 THR H 1 62 CYS H . . 4.600 4.682 4.682 4.682 0.082 1 0 "[ ]" 1
840 1 60 THR HA 1 61 LYS H . . 4.200 3.505 3.505 3.505 . 0 0 "[ ]" 1
841 1 60 THR MG 1 61 LYS H . . 7.500 3.737 3.737 3.737 . 0 0 "[ ]" 1
842 1 61 LYS H 1 61 LYS QD . . 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
843 1 61 LYS HA 1 62 CYS H . . 3.700 3.541 3.541 3.541 . 0 0 "[ ]" 1
844 1 61 LYS QB 1 62 CYS H . . 5.500 1.956 1.956 1.956 . 0 0 "[ ]" 1
845 1 61 LYS QD 1 62 CYS H . . 5.500 4.212 4.212 4.212 . 0 0 "[ ]" 1
846 1 61 LYS QG 1 62 CYS H . . 6.700 3.856 3.856 3.856 . 0 0 "[ ]" 1
847 1 62 CYS H 1 62 CYS HB2 . . 4.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
848 1 62 CYS H 1 62 CYS HB3 . . 4.400 3.907 3.907 3.907 . 0 0 "[ ]" 1
849 1 62 CYS H 1 63 GLY H . . 4.600 4.220 4.220 4.220 . 0 0 "[ ]" 1
850 1 62 CYS HA 1 63 GLY H . . 4.900 2.906 2.906 2.906 . 0 0 "[ ]" 1
851 1 62 CYS HA 1 64 GLY H . . 6.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
852 1 62 CYS HA 1 65 CYS H . . 6.500 4.681 4.681 4.681 . 0 0 "[ ]" 1
853 1 62 CYS HB2 1 63 GLY H . . 4.000 2.448 2.448 2.448 . 0 0 "[ ]" 1
854 1 62 CYS HB3 1 63 GLY H . . 4.400 2.038 2.038 2.038 . 0 0 "[ ]" 1
855 1 62 CYS HB3 1 63 GLY HA3 . . 5.600 4.679 4.679 4.679 . 0 0 "[ ]" 1
856 1 63 GLY H 1 64 GLY H . . 3.700 3.289 3.289 3.289 . 0 0 "[ ]" 1
857 1 63 GLY H 1 64 GLY HA2 . . 5.900 5.596 5.596 5.596 . 0 0 "[ ]" 1
858 1 63 GLY H 1 65 CYS H . . 5.400 3.772 3.772 3.772 . 0 0 "[ ]" 1
859 1 63 GLY H 1 66 HIS H . . 6.500 3.789 3.789 3.789 . 0 0 "[ ]" 1
860 1 63 GLY H 1 68 LYS H . . 5.800 4.980 4.980 4.980 . 0 0 "[ ]" 1
861 1 63 GLY HA2 1 66 HIS H . . 4.600 4.279 4.279 4.279 . 0 0 "[ ]" 1
862 1 63 GLY HA3 1 64 GLY H . . 4.900 2.775 2.775 2.775 . 0 0 "[ ]" 1
863 1 64 GLY H 1 65 CYS H . . 4.100 3.114 3.114 3.114 . 0 0 "[ ]" 1
864 1 64 GLY H 1 65 CYS HB2 . . 6.500 5.578 5.578 5.578 . 0 0 "[ ]" 1
865 1 64 GLY H 1 66 HIS H . . 4.800 4.835 4.835 4.835 0.035 1 0 "[ ]" 1
866 1 64 GLY HA2 1 65 CYS H . . 4.300 3.562 3.562 3.562 . 0 0 "[ ]" 1
867 1 64 GLY HA3 1 65 CYS H . . 4.800 2.747 2.747 2.747 . 0 0 "[ ]" 1
868 1 65 CYS H 1 65 CYS HB2 . . 4.100 2.618 2.618 2.618 . 0 0 "[ ]" 1
869 1 65 CYS H 1 65 CYS HB3 . . 4.100 3.749 3.749 3.749 . 0 0 "[ ]" 1
870 1 65 CYS H 1 66 HIS H . . 4.100 2.226 2.226 2.226 . 0 0 "[ ]" 1
871 1 65 CYS H 1 66 HIS HA . . 6.500 4.865 4.865 4.865 . 0 0 "[ ]" 1
872 1 65 CYS H 1 66 HIS HB3 . . 5.800 5.649 5.649 5.649 . 0 0 "[ ]" 1
873 1 65 CYS H 1 67 ILE QG . . 7.000 6.239 6.239 6.239 . 0 0 "[ ]" 1
874 1 65 CYS HA 1 66 HIS H . . 5.800 3.618 3.618 3.618 . 0 0 "[ ]" 1
875 1 65 CYS HB2 1 66 HIS H . . 4.900 2.260 2.260 2.260 . 0 0 "[ ]" 1
876 1 65 CYS HB3 1 66 HIS H . . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 1
877 1 66 HIS H 1 66 HIS HD1 . . 6.500 4.648 4.648 4.648 . 0 0 "[ ]" 1
878 1 66 HIS H 1 67 ILE H . . 4.800 4.474 4.474 4.474 . 0 0 "[ ]" 1
879 1 66 HIS HA 1 66 HIS HD1 . . 4.400 3.016 3.016 3.016 . 0 0 "[ ]" 1
880 1 66 HIS HA 1 67 ILE H . . 3.500 2.268 2.268 2.268 . 0 0 "[ ]" 1
881 1 66 HIS HA 1 67 ILE HA . . 6.500 4.513 4.513 4.513 . 0 0 "[ ]" 1
882 1 66 HIS HA 1 67 ILE HB . . 6.200 4.838 4.838 4.838 . 0 0 "[ ]" 1
883 1 66 HIS HD1 1 67 ILE H . . 6.500 4.813 4.813 4.813 . 0 0 "[ ]" 1
884 1 67 ILE H 1 67 ILE HB . . 3.800 2.595 2.595 2.595 . 0 0 "[ ]" 1
885 1 67 ILE H 1 67 ILE MD . . 5.800 3.056 3.056 3.056 . 0 0 "[ ]" 1
886 1 67 ILE H 1 68 LYS H . . 5.100 3.908 3.908 3.908 . 0 0 "[ ]" 1
887 1 67 ILE HA 1 68 LYS H . . 3.000 2.437 2.437 2.437 . 0 0 "[ ]" 1
888 1 67 ILE HB 1 68 LYS H . . 4.600 4.565 4.565 4.565 . 0 0 "[ ]" 1
889 1 67 ILE MD 1 68 LYS H . . 6.100 4.174 4.174 4.174 . 0 0 "[ ]" 1
890 1 67 ILE QG 1 68 LYS H . . 5.600 4.975 4.975 4.975 . 0 0 "[ ]" 1
891 1 67 ILE MG 1 68 LYS H . . 4.900 3.890 3.890 3.890 . 0 0 "[ ]" 1
892 1 68 LYS H 1 68 LYS HA . . 2.900 2.851 2.851 2.851 . 0 0 "[ ]" 1
893 1 68 LYS H 1 68 LYS QD . . 5.600 5.030 5.030 5.030 . 0 0 "[ ]" 1
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