NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369606 |
1bd6   |
4268 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bd6
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 980
_Distance_constraint_stats_list.Viol_count 90
_Distance_constraint_stats_list.Viol_total 5.871
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0260
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0652
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.209 0.209 1 0 "[ ]"
1 2 TYR 0.003 0.003 1 0 "[ ]"
1 3 VAL 0.083 0.083 1 0 "[ ]"
1 4 ILE 0.250 0.150 1 0 "[ ]"
1 5 THR 0.034 0.018 1 0 "[ ]"
1 6 GLU 0.226 0.150 1 0 "[ ]"
1 7 PRO 0.000 0.000 . 0 "[ ]"
1 8 CYS 0.000 0.000 . 0 "[ ]"
1 9 ILE 0.152 0.067 1 0 "[ ]"
1 10 GLY 0.168 0.138 1 0 "[ ]"
1 11 THR 0.000 0.000 . 0 "[ ]"
1 16 CYS 0.000 0.000 . 0 "[ ]"
1 17 VAL 0.000 0.000 . 0 "[ ]"
1 18 GLU 0.000 0.000 . 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 20 CYS 0.000 0.000 . 0 "[ ]"
1 21 PRO 0.000 0.000 . 0 "[ ]"
1 22 VAL 0.000 0.000 . 0 "[ ]"
1 23 ASP 0.009 0.009 1 0 "[ ]"
1 24 CYS 0.000 0.000 . 0 "[ ]"
1 25 ILE 0.000 0.000 . 0 "[ ]"
1 26 HIS 0.293 0.177 1 0 "[ ]"
1 27 GLU 0.220 0.128 1 0 "[ ]"
1 28 GLY 0.089 0.089 1 0 "[ ]"
1 29 GLU 0.109 0.063 1 0 "[ ]"
1 30 ASP 0.150 0.056 1 0 "[ ]"
1 31 GLN 0.249 0.138 1 0 "[ ]"
1 32 TYR 0.144 0.089 1 0 "[ ]"
1 33 TYR 0.280 0.128 1 0 "[ ]"
1 34 ILE 0.159 0.089 1 0 "[ ]"
1 35 ASP 0.116 0.116 1 0 "[ ]"
1 36 PRO 0.059 0.052 1 0 "[ ]"
1 37 ASP 0.472 0.243 1 0 "[ ]"
1 38 VAL 0.044 0.044 1 0 "[ ]"
1 39 CYS 0.359 0.227 1 0 "[ ]"
1 40 ILE 0.109 0.083 1 0 "[ ]"
1 41 ASP 0.436 0.227 1 0 "[ ]"
1 42 CYS 0.083 0.083 1 0 "[ ]"
1 43 GLY 0.000 0.000 . 0 "[ ]"
1 45 CYS 0.000 0.000 . 0 "[ ]"
1 46 GLU 0.000 0.000 . 0 "[ ]"
1 47 ALA 0.000 0.000 . 0 "[ ]"
1 48 VAL 0.101 0.101 1 0 "[ ]"
1 49 CYS 0.068 0.039 1 0 "[ ]"
1 50 PRO 0.000 0.000 . 0 "[ ]"
1 51 VAL 0.000 0.000 . 0 "[ ]"
1 52 SER 0.058 0.039 1 0 "[ ]"
1 53 ALA 0.029 0.029 1 0 "[ ]"
1 54 ILE 0.012 0.012 1 0 "[ ]"
1 55 TYR 0.308 0.100 1 0 "[ ]"
1 56 HIS 0.096 0.083 1 0 "[ ]"
1 57 GLU 0.151 0.083 1 0 "[ ]"
1 58 ASP 0.113 0.081 1 0 "[ ]"
1 59 PHE 0.283 0.175 1 0 "[ ]"
1 60 VAL 0.202 0.081 1 0 "[ ]"
1 61 PRO 0.054 0.054 1 0 "[ ]"
1 62 GLU 0.285 0.262 1 0 "[ ]"
1 63 GLU 0.022 0.022 1 0 "[ ]"
1 64 TRP 0.154 0.055 1 0 "[ ]"
1 65 LYS 0.024 0.024 1 0 "[ ]"
1 66 SER 0.020 0.020 1 0 "[ ]"
1 67 TYR 0.244 0.135 1 0 "[ ]"
1 68 ILE 0.135 0.135 1 0 "[ ]"
1 69 GLN 0.137 0.083 1 0 "[ ]"
1 70 LYS 0.265 0.104 1 0 "[ ]"
1 71 ASN 0.389 0.150 1 0 "[ ]"
1 72 ARG 0.123 0.052 1 0 "[ ]"
1 73 ASP 0.234 0.104 1 0 "[ ]"
1 74 PHE 0.311 0.119 1 0 "[ ]"
1 75 PHE 0.284 0.130 1 0 "[ ]"
1 76 LYS 0.130 0.130 1 0 "[ ]"
1 77 LYS 0.147 0.147 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 36 PRO HB3 . . 6.000 2.462 2.462 2.462 . 0 0 "[ ]" 1
2 1 1 ALA HA 1 41 ASP H . . 4.400 4.609 4.609 4.609 0.209 1 0 "[ ]" 1
3 1 1 ALA MB 1 36 PRO HA . . 3.400 2.673 2.673 2.673 . 0 0 "[ ]" 1
4 1 1 ALA MB 1 36 PRO HB2 . . 5.300 3.765 3.765 3.765 . 0 0 "[ ]" 1
5 1 1 ALA MB 1 36 PRO HB3 . . 3.700 3.170 3.170 3.170 . 0 0 "[ ]" 1
6 1 1 ALA MB 1 36 PRO QG . . 7.880 4.696 4.696 4.696 . 0 0 "[ ]" 1
7 1 1 ALA MB 1 39 CYS HB2 . . 4.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
8 1 2 TYR H 1 39 CYS HB2 . . 4.100 4.103 4.103 4.103 0.003 1 0 "[ ]" 1
9 1 2 TYR HA 1 3 VAL H . . 2.700 2.148 2.148 2.148 . 0 0 "[ ]" 1
10 1 2 TYR HA 1 3 VAL QG . . 7.700 2.914 2.914 2.914 . 0 0 "[ ]" 1
11 1 2 TYR HA 1 56 HIS HA . . 2.400 2.133 2.133 2.133 . 0 0 "[ ]" 1
12 1 2 TYR HA 1 56 HIS QB . . 6.580 3.850 3.850 3.850 . 0 0 "[ ]" 1
13 1 2 TYR HA 1 56 HIS HD2 . . 6.000 3.060 3.060 3.060 . 0 0 "[ ]" 1
14 1 2 TYR HA 1 57 GLU H . . 4.700 3.377 3.377 3.377 . 0 0 "[ ]" 1
15 1 2 TYR QB 1 34 ILE HB . . 6.880 5.295 5.295 5.295 . 0 0 "[ ]" 1
16 1 2 TYR QR 1 41 ASP H . . 6.500 3.815 3.815 3.815 . 0 0 "[ ]" 1
17 1 2 TYR QR 1 41 ASP QB . . 9.280 3.113 3.113 3.113 . 0 0 "[ ]" 1
18 1 3 VAL H 1 3 VAL HB . . 3.000 2.913 2.913 2.913 . 0 0 "[ ]" 1
19 1 3 VAL H 1 4 ILE H . . 6.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
20 1 3 VAL H 1 55 TYR H . . 3.600 3.292 3.292 3.292 . 0 0 "[ ]" 1
21 1 3 VAL H 1 55 TYR HA . . 4.600 4.492 4.492 4.492 . 0 0 "[ ]" 1
22 1 3 VAL H 1 55 TYR HB2 . . 6.000 4.784 4.784 4.784 . 0 0 "[ ]" 1
23 1 3 VAL H 1 55 TYR QD . . 8.000 6.090 6.090 6.090 . 0 0 "[ ]" 1
24 1 3 VAL H 1 55 TYR O . . 2.400 1.814 1.814 1.814 . 0 0 "[ ]" 1
25 1 3 VAL H 1 56 HIS HA . . 2.900 2.983 2.983 2.983 0.083 1 0 "[ ]" 1
26 1 3 VAL H 1 60 VAL MG2 . . 6.800 4.028 4.028 4.028 . 0 0 "[ ]" 1
27 1 3 VAL HA 1 4 ILE H . . 3.100 2.194 2.194 2.194 . 0 0 "[ ]" 1
28 1 3 VAL HA 1 4 ILE MG . . 5.300 4.501 4.501 4.501 . 0 0 "[ ]" 1
29 1 3 VAL HA 1 34 ILE H . . 4.700 4.566 4.566 4.566 . 0 0 "[ ]" 1
30 1 3 VAL HA 1 34 ILE HB . . 6.000 2.687 2.687 2.687 . 0 0 "[ ]" 1
31 1 3 VAL HA 1 71 ASN QD . . 7.000 5.013 5.013 5.013 . 0 0 "[ ]" 1
32 1 3 VAL HB 1 4 ILE H . . 5.100 3.403 3.403 3.403 . 0 0 "[ ]" 1
33 1 3 VAL HB 1 55 TYR H . . 6.000 4.407 4.407 4.407 . 0 0 "[ ]" 1
34 1 3 VAL HB 1 57 GLU HA . . 4.900 3.698 3.698 3.698 . 0 0 "[ ]" 1
35 1 3 VAL HB 1 60 VAL MG2 . . 4.100 3.003 3.003 3.003 . 0 0 "[ ]" 1
36 1 3 VAL QG 1 4 ILE H . . 5.800 2.060 2.060 2.060 . 0 0 "[ ]" 1
37 1 3 VAL QG 1 5 THR H . . 8.400 5.345 5.345 5.345 . 0 0 "[ ]" 1
38 1 3 VAL QG 1 55 TYR H . . 8.400 4.526 4.526 4.526 . 0 0 "[ ]" 1
39 1 3 VAL QG 1 55 TYR QD . . 10.400 6.168 6.168 6.168 . 0 0 "[ ]" 1
40 1 3 VAL QG 1 57 GLU H . . 7.300 2.504 2.504 2.504 . 0 0 "[ ]" 1
41 1 3 VAL QG 1 57 GLU QB . . 6.080 2.126 2.126 2.126 . 0 0 "[ ]" 1
42 1 3 VAL QG 1 60 VAL MG1 . . 6.700 4.166 4.166 4.166 . 0 0 "[ ]" 1
43 1 3 VAL QG 1 60 VAL MG2 . . 6.200 3.471 3.471 3.471 . 0 0 "[ ]" 1
44 1 3 VAL QG 1 67 TYR H . . 8.400 5.985 5.985 5.985 . 0 0 "[ ]" 1
45 1 3 VAL QG 1 67 TYR HB2 . . 6.400 4.609 4.609 4.609 . 0 0 "[ ]" 1
46 1 3 VAL QG 1 67 TYR HB3 . . 8.300 4.030 4.030 4.030 . 0 0 "[ ]" 1
47 1 3 VAL QG 1 68 ILE H . . 7.000 4.069 4.069 4.069 . 0 0 "[ ]" 1
48 1 3 VAL QG 1 68 ILE HA . . 4.800 2.044 2.044 2.044 . 0 0 "[ ]" 1
49 1 3 VAL QG 1 68 ILE HB . . 7.900 3.836 3.836 3.836 . 0 0 "[ ]" 1
50 1 3 VAL QG 1 68 ILE MD . . 5.800 2.078 2.078 2.078 . 0 0 "[ ]" 1
51 1 3 VAL QG 1 68 ILE QG . . 6.580 2.014 2.014 2.014 . 0 0 "[ ]" 1
52 1 3 VAL QG 1 68 ILE MG . . 5.900 2.267 2.267 2.267 . 0 0 "[ ]" 1
53 1 3 VAL QG 1 71 ASN H . . 6.000 3.758 3.758 3.758 . 0 0 "[ ]" 1
54 1 3 VAL QG 1 71 ASN HB2 . . 7.600 2.278 2.278 2.278 . 0 0 "[ ]" 1
55 1 3 VAL QG 1 71 ASN QD . . 7.300 2.778 2.778 2.778 . 0 0 "[ ]" 1
56 1 3 VAL N 1 55 TYR O . . 3.300 2.806 2.806 2.806 . 0 0 "[ ]" 1
57 1 4 ILE H 1 4 ILE HA . . 2.900 2.826 2.826 2.826 . 0 0 "[ ]" 1
58 1 4 ILE H 1 4 ILE HB . . 2.900 2.021 2.021 2.021 . 0 0 "[ ]" 1
59 1 4 ILE H 1 4 ILE MG . . 3.400 2.657 2.657 2.657 . 0 0 "[ ]" 1
60 1 4 ILE H 1 33 TYR QE . . 8.000 6.639 6.639 6.639 . 0 0 "[ ]" 1
61 1 4 ILE H 1 34 ILE H . . 4.100 4.015 4.015 4.015 . 0 0 "[ ]" 1
62 1 4 ILE H 1 71 ASN QD . . 5.300 3.473 3.473 3.473 . 0 0 "[ ]" 1
63 1 4 ILE HA 1 5 THR H . . 2.500 2.428 2.428 2.428 . 0 0 "[ ]" 1
64 1 4 ILE HA 1 54 ILE HA . . 3.900 2.598 2.598 2.598 . 0 0 "[ ]" 1
65 1 4 ILE HA 1 55 TYR H . . 3.600 3.700 3.700 3.700 0.100 1 0 "[ ]" 1
66 1 4 ILE HB 1 31 GLN QE . . 6.870 4.483 4.483 4.483 . 0 0 "[ ]" 1
67 1 4 ILE HB 1 33 TYR HA . . 4.400 2.758 2.758 2.758 . 0 0 "[ ]" 1
68 1 4 ILE HB 1 71 ASN H . . 6.000 6.150 6.150 6.150 0.150 1 0 "[ ]" 1
69 1 4 ILE HB 1 71 ASN QD . . 6.700 2.940 2.940 2.940 . 0 0 "[ ]" 1
70 1 4 ILE QG 1 5 THR H . . 6.900 2.294 2.294 2.294 . 0 0 "[ ]" 1
71 1 4 ILE QG 1 5 THR HA . . 7.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
72 1 4 ILE QG 1 9 ILE MD . . 6.800 4.981 4.981 4.981 . 0 0 "[ ]" 1
73 1 4 ILE QG 1 33 TYR HA . . 6.000 3.297 3.297 3.297 . 0 0 "[ ]" 1
74 1 4 ILE QG 1 33 TYR QD . . 9.000 4.787 4.787 4.787 . 0 0 "[ ]" 1
75 1 4 ILE QG 1 55 TYR H . . 6.800 5.789 5.789 5.789 . 0 0 "[ ]" 1
76 1 4 ILE QG 1 67 TYR QD . . 9.000 5.613 5.613 5.613 . 0 0 "[ ]" 1
77 1 4 ILE MG 1 33 TYR HA . . 3.800 3.177 3.177 3.177 . 0 0 "[ ]" 1
78 1 4 ILE MG 1 33 TYR HB2 . . 6.300 5.266 5.266 5.266 . 0 0 "[ ]" 1
79 1 4 ILE MG 1 33 TYR QE . . 6.800 3.489 3.489 3.489 . 0 0 "[ ]" 1
80 1 4 ILE MG 1 71 ASN HB2 . . 5.800 4.333 4.333 4.333 . 0 0 "[ ]" 1
81 1 5 THR H 1 5 THR HB . . 3.900 3.916 3.916 3.916 0.016 1 0 "[ ]" 1
82 1 5 THR H 1 5 THR MG . . 4.000 3.335 3.335 3.335 . 0 0 "[ ]" 1
83 1 5 THR HA 1 5 THR HB . . 2.800 2.493 2.493 2.493 . 0 0 "[ ]" 1
84 1 5 THR HA 1 5 THR MG . . 3.400 2.358 2.358 2.358 . 0 0 "[ ]" 1
85 1 5 THR HA 1 67 TYR HB2 . . 4.500 3.670 3.670 3.670 . 0 0 "[ ]" 1
86 1 5 THR HA 1 67 TYR HB3 . . 3.800 3.818 3.818 3.818 0.018 1 0 "[ ]" 1
87 1 5 THR HA 1 67 TYR QD . . 5.700 2.927 2.927 2.927 . 0 0 "[ ]" 1
88 1 5 THR HA 1 67 TYR QE . . 7.400 4.379 4.379 4.379 . 0 0 "[ ]" 1
89 1 5 THR HB 1 7 PRO HD2 . . 3.600 2.521 2.521 2.521 . 0 0 "[ ]" 1
90 1 5 THR HB 1 7 PRO HD3 . . 6.000 4.026 4.026 4.026 . 0 0 "[ ]" 1
91 1 5 THR HB 1 55 TYR QD . . 8.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
92 1 5 THR HB 1 64 TRP QB . . 6.380 3.403 3.403 3.403 . 0 0 "[ ]" 1
93 1 5 THR HB 1 64 TRP HD1 . . 5.800 5.773 5.773 5.773 . 0 0 "[ ]" 1
94 1 5 THR HB 1 64 TRP HE3 . . 4.900 2.494 2.494 2.494 . 0 0 "[ ]" 1
95 1 5 THR HB 1 67 TYR QD . . 6.200 3.962 3.962 3.962 . 0 0 "[ ]" 1
96 1 5 THR HB 1 67 TYR QE . . 7.200 4.755 4.755 4.755 . 0 0 "[ ]" 1
97 1 5 THR MG 1 7 PRO HD2 . . 4.700 3.939 3.939 3.939 . 0 0 "[ ]" 1
98 1 5 THR MG 1 55 TYR H . . 5.000 3.067 3.067 3.067 . 0 0 "[ ]" 1
99 1 5 THR MG 1 55 TYR HB2 . . 7.000 2.320 2.320 2.320 . 0 0 "[ ]" 1
100 1 5 THR MG 1 55 TYR QD . . 6.900 2.232 2.232 2.232 . 0 0 "[ ]" 1
101 1 5 THR MG 1 55 TYR QE . . 7.100 4.015 4.015 4.015 . 0 0 "[ ]" 1
102 1 5 THR MG 1 60 VAL HA . . 3.700 3.169 3.169 3.169 . 0 0 "[ ]" 1
103 1 5 THR MG 1 60 VAL MG2 . . 4.400 1.863 1.863 1.863 . 0 0 "[ ]" 1
104 1 5 THR MG 1 61 PRO HD2 . . 7.000 2.857 2.857 2.857 . 0 0 "[ ]" 1
105 1 5 THR MG 1 64 TRP QB . . 5.280 2.535 2.535 2.535 . 0 0 "[ ]" 1
106 1 5 THR MG 1 64 TRP HE3 . . 4.100 2.574 2.574 2.574 . 0 0 "[ ]" 1
107 1 5 THR MG 1 67 TYR QD . . 6.800 3.660 3.660 3.660 . 0 0 "[ ]" 1
108 1 5 THR MG 1 67 TYR QE . . 9.000 5.175 5.175 5.175 . 0 0 "[ ]" 1
109 1 6 GLU HA 1 6 GLU HB2 . . 2.900 2.381 2.381 2.381 . 0 0 "[ ]" 1
110 1 6 GLU HA 1 6 GLU HB3 . . 2.800 2.950 2.950 2.950 0.150 1 0 "[ ]" 1
111 1 6 GLU HA 1 6 GLU HG2 . . 4.100 3.771 3.771 3.771 . 0 0 "[ ]" 1
112 1 6 GLU HA 1 6 GLU HG3 . . 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 1
113 1 6 GLU HA 1 9 ILE H . . 4.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
114 1 6 GLU HA 1 9 ILE HB . . 6.000 3.667 3.667 3.667 . 0 0 "[ ]" 1
115 1 6 GLU HA 1 9 ILE MD . . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
116 1 6 GLU HA 1 9 ILE HG12 . . 4.700 4.379 4.379 4.379 . 0 0 "[ ]" 1
117 1 6 GLU HA 1 9 ILE QG . . 3.970 2.940 2.940 2.940 . 0 0 "[ ]" 1
118 1 6 GLU HA 1 9 ILE HG13 . . 4.700 2.987 2.987 2.987 . 0 0 "[ ]" 1
119 1 6 GLU HA 1 67 TYR QD . . 8.000 4.320 4.320 4.320 . 0 0 "[ ]" 1
120 1 6 GLU HA 1 67 TYR QE . . 5.800 3.007 3.007 3.007 . 0 0 "[ ]" 1
121 1 6 GLU HB2 1 7 PRO HD2 . . 4.800 3.696 3.696 3.696 . 0 0 "[ ]" 1
122 1 6 GLU HB2 1 7 PRO HD3 . . 4.500 3.881 3.881 3.881 . 0 0 "[ ]" 1
123 1 6 GLU HB2 1 64 TRP HD1 . . 6.000 4.161 4.161 4.161 . 0 0 "[ ]" 1
124 1 6 GLU HB2 1 64 TRP HE1 . . 4.600 3.360 3.360 3.360 . 0 0 "[ ]" 1
125 1 6 GLU HB2 1 64 TRP HH2 . . 6.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
126 1 6 GLU HB2 1 64 TRP HZ2 . . 4.800 3.516 3.516 3.516 . 0 0 "[ ]" 1
127 1 6 GLU HB2 1 67 TYR QE . . 7.100 2.286 2.286 2.286 . 0 0 "[ ]" 1
128 1 6 GLU HB3 1 7 PRO HD2 . . 3.200 2.314 2.314 2.314 . 0 0 "[ ]" 1
129 1 6 GLU HB3 1 7 PRO HD3 . . 5.200 2.171 2.171 2.171 . 0 0 "[ ]" 1
130 1 6 GLU HB3 1 7 PRO QG . . 6.480 3.930 3.930 3.930 . 0 0 "[ ]" 1
131 1 6 GLU HB3 1 64 TRP HE1 . . 5.600 4.594 4.594 4.594 . 0 0 "[ ]" 1
132 1 6 GLU HB3 1 64 TRP HH2 . . 5.500 3.300 3.300 3.300 . 0 0 "[ ]" 1
133 1 6 GLU HB3 1 64 TRP HZ2 . . 6.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
134 1 6 GLU HG2 1 7 PRO HD3 . . 4.900 3.380 3.380 3.380 . 0 0 "[ ]" 1
135 1 6 GLU HG2 1 64 TRP HH2 . . 3.100 3.122 3.122 3.122 0.022 1 0 "[ ]" 1
136 1 6 GLU HG2 1 64 TRP HZ2 . . 3.700 2.500 2.500 2.500 . 0 0 "[ ]" 1
137 1 6 GLU HG2 1 64 TRP HZ3 . . 4.600 4.655 4.655 4.655 0.055 1 0 "[ ]" 1
138 1 6 GLU HG3 1 7 PRO HD3 . . 3.700 3.363 3.363 3.363 . 0 0 "[ ]" 1
139 1 6 GLU HG3 1 64 TRP HH2 . . 6.000 4.586 4.586 4.586 . 0 0 "[ ]" 1
140 1 6 GLU HG3 1 64 TRP HZ2 . . 5.100 4.251 4.251 4.251 . 0 0 "[ ]" 1
141 1 6 GLU HG3 1 64 TRP HZ3 . . 6.000 5.720 5.720 5.720 . 0 0 "[ ]" 1
142 1 6 GLU HG3 1 67 TYR QE . . 8.000 4.678 4.678 4.678 . 0 0 "[ ]" 1
143 1 6 GLU O 1 9 ILE H . . 2.400 1.843 1.843 1.843 . 0 0 "[ ]" 1
144 1 6 GLU O 1 9 ILE N . . 3.300 2.785 2.785 2.785 . 0 0 "[ ]" 1
145 1 7 PRO HA 1 9 ILE H . . 4.100 3.948 3.948 3.948 . 0 0 "[ ]" 1
146 1 7 PRO HD2 1 64 TRP HE3 . . 6.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
147 1 7 PRO HD2 1 64 TRP HZ3 . . 6.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
148 1 7 PRO HD3 1 64 TRP HH2 . . 6.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
149 1 7 PRO HD3 1 64 TRP HZ3 . . 6.000 3.384 3.384 3.384 . 0 0 "[ ]" 1
150 1 7 PRO QG 1 55 TYR QE . . 8.880 3.104 3.104 3.104 . 0 0 "[ ]" 1
151 1 7 PRO QG 1 64 TRP HZ3 . . 6.280 3.803 3.803 3.803 . 0 0 "[ ]" 1
152 1 8 CYS SG 1 16 CYS SG . . 6.380 6.042 6.042 6.042 . 0 0 "[ ]" 1
153 1 8 CYS SG 1 49 CYS SG . . 6.380 6.237 6.237 6.237 . 0 0 "[ ]" 1
154 1 9 ILE H 1 9 ILE HA . . 2.700 2.767 2.767 2.767 0.067 1 0 "[ ]" 1
155 1 9 ILE H 1 9 ILE HB . . 2.400 2.444 2.444 2.444 0.044 1 0 "[ ]" 1
156 1 9 ILE H 1 9 ILE MD . . 4.100 3.440 3.440 3.440 . 0 0 "[ ]" 1
157 1 9 ILE H 1 9 ILE HG12 . . 3.700 3.367 3.367 3.367 . 0 0 "[ ]" 1
158 1 9 ILE H 1 9 ILE QG . . 3.120 2.043 2.043 2.043 . 0 0 "[ ]" 1
159 1 9 ILE H 1 9 ILE HG13 . . 3.700 2.061 2.061 2.061 . 0 0 "[ ]" 1
160 1 9 ILE HA 1 9 ILE MD . . 4.400 3.747 3.747 3.747 . 0 0 "[ ]" 1
161 1 9 ILE HA 1 9 ILE MG . . 3.400 2.398 2.398 2.398 . 0 0 "[ ]" 1
162 1 9 ILE HA 1 31 GLN QB . . 6.880 2.275 2.275 2.275 . 0 0 "[ ]" 1
163 1 9 ILE HB 1 9 ILE HG12 . . 3.000 3.040 3.040 3.040 0.040 1 0 "[ ]" 1
164 1 9 ILE HB 1 9 ILE HG13 . . 3.000 2.523 2.523 2.523 . 0 0 "[ ]" 1
165 1 9 ILE HB 1 10 GLY HA3 . . 5.300 4.878 4.878 4.878 . 0 0 "[ ]" 1
166 1 9 ILE HB 1 11 THR H . . 5.500 4.815 4.815 4.815 . 0 0 "[ ]" 1
167 1 9 ILE MD 1 31 GLN HG2 . . 5.500 3.870 3.870 3.870 . 0 0 "[ ]" 1
168 1 9 ILE MD 1 67 TYR QE . . 7.800 2.884 2.884 2.884 . 0 0 "[ ]" 1
169 1 9 ILE QG 1 67 TYR QE . . 6.580 4.347 4.347 4.347 . 0 0 "[ ]" 1
170 1 9 ILE MG 1 10 GLY H . . 3.500 2.699 2.699 2.699 . 0 0 "[ ]" 1
171 1 9 ILE MG 1 10 GLY HA2 . . 7.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
172 1 9 ILE MG 1 10 GLY HA3 . . 6.100 3.339 3.339 3.339 . 0 0 "[ ]" 1
173 1 9 ILE MG 1 30 ASP HB2 . . 7.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
174 1 9 ILE MG 1 30 ASP HB3 . . 3.800 3.155 3.155 3.155 . 0 0 "[ ]" 1
175 1 9 ILE MG 1 31 GLN HG2 . . 7.000 3.160 3.160 3.160 . 0 0 "[ ]" 1
176 1 10 GLY H 1 10 GLY HA3 . . 2.900 2.930 2.930 2.930 0.030 1 0 "[ ]" 1
177 1 10 GLY H 1 11 THR H . . 4.300 3.372 3.372 3.372 . 0 0 "[ ]" 1
178 1 10 GLY H 1 30 ASP HB3 . . 4.800 3.839 3.839 3.839 . 0 0 "[ ]" 1
179 1 10 GLY H 1 31 GLN QB . . 6.780 3.085 3.085 3.085 . 0 0 "[ ]" 1
180 1 10 GLY H 1 31 GLN HG3 . . 5.200 5.338 5.338 5.338 0.138 1 0 "[ ]" 1
181 1 11 THR HA 1 11 THR MG . . 3.400 2.301 2.301 2.301 . 0 0 "[ ]" 1
182 1 16 CYS HA 1 16 CYS HB2 . . 2.800 2.560 2.560 2.560 . 0 0 "[ ]" 1
183 1 16 CYS HA 1 45 CYS HB2 . . 4.500 4.302 4.302 4.302 . 0 0 "[ ]" 1
184 1 16 CYS HB2 1 19 VAL MG2 . . 4.600 3.235 3.235 3.235 . 0 0 "[ ]" 1
185 1 16 CYS HB2 1 25 ILE HB . . 5.500 5.320 5.320 5.320 . 0 0 "[ ]" 1
186 1 16 CYS HB2 1 25 ILE QG . . 3.700 3.005 3.005 3.005 . 0 0 "[ ]" 1
187 1 16 CYS HB2 1 45 CYS HA . . 4.500 4.209 4.209 4.209 . 0 0 "[ ]" 1
188 1 16 CYS HB2 1 45 CYS HB2 . . 3.200 2.839 2.839 2.839 . 0 0 "[ ]" 1
189 1 16 CYS HB2 1 48 VAL QG . . 5.960 3.744 3.744 3.744 . 0 0 "[ ]" 1
190 1 16 CYS HB2 1 54 ILE MD . . 4.100 2.884 2.884 2.884 . 0 0 "[ ]" 1
191 1 16 CYS SG 1 49 CYS SG . . 6.380 5.838 5.838 5.838 . 0 0 "[ ]" 1
192 1 17 VAL HA 1 17 VAL HB . . 2.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
193 1 17 VAL QG 1 18 GLU QB . . 8.540 2.787 2.787 2.787 . 0 0 "[ ]" 1
194 1 17 VAL QG 1 18 GLU HG2 . . 6.860 2.885 2.885 2.885 . 0 0 "[ ]" 1
195 1 17 VAL QG 1 19 VAL MG1 . . 7.560 4.474 4.474 4.474 . 0 0 "[ ]" 1
196 1 18 GLU H 1 18 GLU QB . . 3.590 2.531 2.531 2.531 . 0 0 "[ ]" 1
197 1 18 GLU H 1 18 GLU HG2 . . 4.500 2.064 2.064 2.064 . 0 0 "[ ]" 1
198 1 18 GLU H 1 18 GLU HG3 . . 5.000 3.146 3.146 3.146 . 0 0 "[ ]" 1
199 1 18 GLU H 1 19 VAL H . . 3.200 2.835 2.835 2.835 . 0 0 "[ ]" 1
200 1 18 GLU QB 1 18 GLU HG2 . . 2.650 2.367 2.367 2.367 . 0 0 "[ ]" 1
201 1 18 GLU QB 1 18 GLU HG3 . . 2.750 2.402 2.402 2.402 . 0 0 "[ ]" 1
202 1 19 VAL H 1 19 VAL MG1 . . 4.100 2.136 2.136 2.136 . 0 0 "[ ]" 1
203 1 19 VAL H 1 19 VAL MG2 . . 3.900 2.340 2.340 2.340 . 0 0 "[ ]" 1
204 1 19 VAL H 1 20 CYS H . . 3.700 2.774 2.774 2.774 . 0 0 "[ ]" 1
205 1 19 VAL H 1 20 CYS HB3 . . 6.000 4.908 4.908 4.908 . 0 0 "[ ]" 1
206 1 19 VAL HA 1 19 VAL HB . . 2.400 2.359 2.359 2.359 . 0 0 "[ ]" 1
207 1 19 VAL HA 1 19 VAL MG1 . . 3.400 2.380 2.380 2.380 . 0 0 "[ ]" 1
208 1 19 VAL MG2 1 45 CYS HA . . 3.800 2.327 2.327 2.327 . 0 0 "[ ]" 1
209 1 19 VAL MG2 1 45 CYS HB2 . . 4.500 3.309 3.309 3.309 . 0 0 "[ ]" 1
210 1 19 VAL MG2 1 48 VAL MG1 . . 8.000 2.540 2.540 2.540 . 0 0 "[ ]" 1
211 1 19 VAL MG2 1 48 VAL QG . . 6.600 2.489 2.489 2.489 . 0 0 "[ ]" 1
212 1 19 VAL MG2 1 48 VAL MG2 . . 8.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
213 1 20 CYS H 1 20 CYS HB3 . . 3.100 2.326 2.326 2.326 . 0 0 "[ ]" 1
214 1 20 CYS HB3 1 21 PRO QD . . 5.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
215 1 20 CYS HB3 1 23 ASP H . . 4.500 3.124 3.124 3.124 . 0 0 "[ ]" 1
216 1 20 CYS HB3 1 23 ASP HA . . 3.200 2.380 2.380 2.380 . 0 0 "[ ]" 1
217 1 20 CYS HB3 1 25 ILE MD . . 5.300 2.317 2.317 2.317 . 0 0 "[ ]" 1
218 1 20 CYS HB3 1 25 ILE QG . . 4.900 4.319 4.319 4.319 . 0 0 "[ ]" 1
219 1 20 CYS SG 1 39 CYS SG . . 6.380 5.969 5.969 5.969 . 0 0 "[ ]" 1
220 1 20 CYS SG 1 42 CYS SG . . 6.380 6.054 6.054 6.054 . 0 0 "[ ]" 1
221 1 20 CYS SG 1 45 CYS SG . . 6.380 6.184 6.184 6.184 . 0 0 "[ ]" 1
222 1 21 PRO HB3 1 40 ILE QG . . 5.800 4.899 4.899 4.899 . 0 0 "[ ]" 1
223 1 22 VAL QG 1 39 CYS HB2 . . 5.400 3.929 3.929 3.929 . 0 0 "[ ]" 1
224 1 23 ASP H 1 23 ASP HB2 . . 3.700 3.709 3.709 3.709 0.009 1 0 "[ ]" 1
225 1 23 ASP HA 1 23 ASP HB3 . . 2.600 2.510 2.510 2.510 . 0 0 "[ ]" 1
226 1 23 ASP HB3 1 24 CYS QB . . 6.880 6.087 6.087 6.087 . 0 0 "[ ]" 1
227 1 24 CYS HA 1 24 CYS HB2 . . 3.000 2.366 2.366 2.366 . 0 0 "[ ]" 1
228 1 24 CYS HA 1 24 CYS HB3 . . 3.000 2.463 2.463 2.463 . 0 0 "[ ]" 1
229 1 24 CYS HA 1 25 ILE QG . . 6.700 5.731 5.731 5.731 . 0 0 "[ ]" 1
230 1 24 CYS HA 1 26 HIS HD2 . . 6.000 4.018 4.018 4.018 . 0 0 "[ ]" 1
231 1 24 CYS HA 1 35 ASP QB . . 6.880 4.120 4.120 4.120 . 0 0 "[ ]" 1
232 1 24 CYS HA 1 38 VAL HB . . 6.000 5.072 5.072 5.072 . 0 0 "[ ]" 1
233 1 24 CYS HA 1 38 VAL MG1 . . 7.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
234 1 24 CYS HA 1 38 VAL MG2 . . 7.000 5.037 5.037 5.037 . 0 0 "[ ]" 1
235 1 24 CYS QB 1 25 ILE HA . . 6.680 4.829 4.829 4.829 . 0 0 "[ ]" 1
236 1 24 CYS QB 1 25 ILE QG . . 7.880 5.578 5.578 5.578 . 0 0 "[ ]" 1
237 1 24 CYS QB 1 35 ASP H . . 6.580 2.733 2.733 2.733 . 0 0 "[ ]" 1
238 1 24 CYS QB 1 35 ASP QB . . 4.520 2.152 2.152 2.152 . 0 0 "[ ]" 1
239 1 24 CYS QB 1 38 VAL HB . . 3.200 2.731 2.731 2.731 . 0 0 "[ ]" 1
240 1 24 CYS QB 1 38 VAL MG1 . . 5.990 2.018 2.018 2.018 . 0 0 "[ ]" 1
241 1 24 CYS QB 1 38 VAL MG2 . . 5.380 3.377 3.377 3.377 . 0 0 "[ ]" 1
242 1 24 CYS HB2 1 35 ASP HB2 . . 5.150 3.357 3.357 3.357 . 0 0 "[ ]" 1
243 1 24 CYS HB2 1 35 ASP HB3 . . 5.150 2.199 2.199 2.199 . 0 0 "[ ]" 1
244 1 24 CYS HB2 1 38 VAL HB . . 3.600 2.937 2.937 2.937 . 0 0 "[ ]" 1
245 1 24 CYS HB2 1 38 VAL MG1 . . 6.800 2.887 2.887 2.887 . 0 0 "[ ]" 1
246 1 24 CYS HB3 1 35 ASP HB2 . . 5.150 4.983 4.983 4.983 . 0 0 "[ ]" 1
247 1 24 CYS HB3 1 35 ASP HB3 . . 5.150 3.610 3.610 3.610 . 0 0 "[ ]" 1
248 1 24 CYS HB3 1 38 VAL HB . . 3.600 3.246 3.246 3.246 . 0 0 "[ ]" 1
249 1 24 CYS HB3 1 38 VAL MG1 . . 6.800 2.060 2.060 2.060 . 0 0 "[ ]" 1
250 1 25 ILE H 1 26 HIS H . . 5.100 4.347 4.347 4.347 . 0 0 "[ ]" 1
251 1 25 ILE HA 1 26 HIS H . . 2.400 2.260 2.260 2.260 . 0 0 "[ ]" 1
252 1 25 ILE HA 1 26 HIS HD2 . . 4.500 4.461 4.461 4.461 . 0 0 "[ ]" 1
253 1 25 ILE HA 1 34 ILE HA . . 2.400 2.393 2.393 2.393 . 0 0 "[ ]" 1
254 1 25 ILE QG 1 26 HIS H . . 5.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
255 1 25 ILE QG 1 34 ILE HB . . 5.500 4.865 4.865 4.865 . 0 0 "[ ]" 1
256 1 25 ILE QG 1 34 ILE MG . . 8.000 3.171 3.171 3.171 . 0 0 "[ ]" 1
257 1 25 ILE QG 1 35 ASP H . . 7.000 5.272 5.272 5.272 . 0 0 "[ ]" 1
258 1 26 HIS H 1 26 HIS HB2 . . 3.500 2.524 2.524 2.524 . 0 0 "[ ]" 1
259 1 26 HIS H 1 26 HIS QB . . 3.000 2.483 2.483 2.483 . 0 0 "[ ]" 1
260 1 26 HIS H 1 26 HIS HB3 . . 3.500 3.677 3.677 3.677 0.177 1 0 "[ ]" 1
261 1 26 HIS H 1 26 HIS HD2 . . 4.400 3.597 3.597 3.597 . 0 0 "[ ]" 1
262 1 26 HIS H 1 33 TYR H . . 3.200 3.035 3.035 3.035 . 0 0 "[ ]" 1
263 1 26 HIS H 1 33 TYR HB3 . . 6.000 4.973 4.973 4.973 . 0 0 "[ ]" 1
264 1 26 HIS H 1 33 TYR O . . 2.400 1.907 1.907 1.907 . 0 0 "[ ]" 1
265 1 26 HIS H 1 34 ILE HA . . 3.100 3.163 3.163 3.163 0.063 1 0 "[ ]" 1
266 1 26 HIS H 1 75 PHE QE . . 8.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
267 1 26 HIS H 1 75 PHE HZ . . 5.500 3.766 3.766 3.766 . 0 0 "[ ]" 1
268 1 26 HIS HA 1 26 HIS HB2 . . 3.000 3.012 3.012 3.012 0.012 1 0 "[ ]" 1
269 1 26 HIS HA 1 26 HIS QB . . 2.720 2.319 2.319 2.319 . 0 0 "[ ]" 1
270 1 26 HIS HA 1 26 HIS HB3 . . 3.000 2.411 2.411 2.411 . 0 0 "[ ]" 1
271 1 26 HIS HA 1 27 GLU QG . . 6.880 3.770 3.770 3.770 . 0 0 "[ ]" 1
272 1 26 HIS QB 1 27 GLU QG . . 7.750 4.788 4.788 4.788 . 0 0 "[ ]" 1
273 1 26 HIS QB 1 33 TYR HB2 . . 6.880 3.647 3.647 3.647 . 0 0 "[ ]" 1
274 1 26 HIS QB 1 74 PHE QE . . 8.680 5.150 5.150 5.150 . 0 0 "[ ]" 1
275 1 26 HIS QB 1 75 PHE QE . . 7.150 2.572 2.572 2.572 . 0 0 "[ ]" 1
276 1 26 HIS HB2 1 27 GLU H . . 3.900 3.937 3.937 3.937 0.037 1 0 "[ ]" 1
277 1 26 HIS HB2 1 75 PHE QE . . 7.500 2.752 2.752 2.752 . 0 0 "[ ]" 1
278 1 26 HIS HB2 1 75 PHE HZ . . 4.300 2.188 2.188 2.188 . 0 0 "[ ]" 1
279 1 26 HIS HB3 1 27 GLU H . . 3.900 2.993 2.993 2.993 . 0 0 "[ ]" 1
280 1 26 HIS HB3 1 75 PHE QE . . 7.500 3.087 3.087 3.087 . 0 0 "[ ]" 1
281 1 26 HIS HB3 1 75 PHE HZ . . 4.300 3.602 3.602 3.602 . 0 0 "[ ]" 1
282 1 26 HIS HD2 1 35 ASP HB2 . . 5.700 3.199 3.199 3.199 . 0 0 "[ ]" 1
283 1 26 HIS HD2 1 35 ASP QB . . 5.340 3.101 3.101 3.101 . 0 0 "[ ]" 1
284 1 26 HIS HD2 1 35 ASP HB3 . . 5.700 4.165 4.165 4.165 . 0 0 "[ ]" 1
285 1 26 HIS HD2 1 75 PHE HZ . . 3.200 3.204 3.204 3.204 0.004 1 0 "[ ]" 1
286 1 26 HIS N 1 33 TYR O . . 3.300 2.844 2.844 2.844 . 0 0 "[ ]" 1
287 1 26 HIS O 1 33 TYR H . . 2.400 1.760 1.760 1.760 . 0 0 "[ ]" 1
288 1 26 HIS O 1 33 TYR N . . 3.300 2.746 2.746 2.746 . 0 0 "[ ]" 1
289 1 27 GLU H 1 27 GLU HB2 . . 2.800 2.454 2.454 2.454 . 0 0 "[ ]" 1
290 1 27 GLU H 1 27 GLU QG . . 4.680 2.389 2.389 2.389 . 0 0 "[ ]" 1
291 1 27 GLU H 1 33 TYR QE . . 8.000 7.211 7.211 7.211 . 0 0 "[ ]" 1
292 1 27 GLU HA 1 27 GLU HB3 . . 2.600 2.484 2.484 2.484 . 0 0 "[ ]" 1
293 1 27 GLU HA 1 27 GLU HG2 . . 3.900 2.795 2.795 2.795 . 0 0 "[ ]" 1
294 1 27 GLU HA 1 27 GLU QG . . 3.700 2.725 2.725 2.725 . 0 0 "[ ]" 1
295 1 27 GLU HA 1 27 GLU HG3 . . 3.900 3.776 3.776 3.776 . 0 0 "[ ]" 1
296 1 27 GLU HA 1 28 GLY H . . 3.100 2.301 2.301 2.301 . 0 0 "[ ]" 1
297 1 27 GLU HA 1 32 TYR H . . 5.500 4.510 4.510 4.510 . 0 0 "[ ]" 1
298 1 27 GLU HA 1 32 TYR HA . . 2.400 1.969 1.969 1.969 . 0 0 "[ ]" 1
299 1 27 GLU HA 1 32 TYR HB3 . . 6.000 3.271 3.271 3.271 . 0 0 "[ ]" 1
300 1 27 GLU HA 1 33 TYR H . . 3.100 3.228 3.228 3.228 0.128 1 0 "[ ]" 1
301 1 27 GLU HA 1 33 TYR QE . . 8.000 5.015 5.015 5.015 . 0 0 "[ ]" 1
302 1 27 GLU HB2 1 27 GLU QG . . 2.650 2.185 2.185 2.185 . 0 0 "[ ]" 1
303 1 27 GLU HB2 1 28 GLY H . . 6.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
304 1 27 GLU HB2 1 28 GLY QA . . 5.280 4.345 4.345 4.345 . 0 0 "[ ]" 1
305 1 27 GLU HB2 1 33 TYR QE . . 8.000 6.828 6.828 6.828 . 0 0 "[ ]" 1
306 1 27 GLU HB3 1 27 GLU QG . . 2.750 2.461 2.461 2.461 . 0 0 "[ ]" 1
307 1 27 GLU HB3 1 28 GLY H . . 4.700 2.831 2.831 2.831 . 0 0 "[ ]" 1
308 1 27 GLU HB3 1 32 TYR HB3 . . 5.600 5.655 5.655 5.655 0.055 1 0 "[ ]" 1
309 1 27 GLU HB3 1 32 TYR QR . . 8.400 4.351 4.351 4.351 . 0 0 "[ ]" 1
310 1 27 GLU HG2 1 28 GLY H . . 6.000 4.814 4.814 4.814 . 0 0 "[ ]" 1
311 1 27 GLU HG2 1 32 TYR QR . . 8.400 2.383 2.383 2.383 . 0 0 "[ ]" 1
312 1 27 GLU HG3 1 28 GLY H . . 6.000 5.199 5.199 5.199 . 0 0 "[ ]" 1
313 1 27 GLU HG3 1 32 TYR QR . . 8.400 3.675 3.675 3.675 . 0 0 "[ ]" 1
314 1 28 GLY H 1 31 GLN O . . 2.400 1.919 1.919 1.919 . 0 0 "[ ]" 1
315 1 28 GLY H 1 32 TYR HA . . 2.400 2.489 2.489 2.489 0.089 1 0 "[ ]" 1
316 1 28 GLY H 1 33 TYR H . . 6.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
317 1 28 GLY H 1 33 TYR QD . . 8.000 2.667 2.667 2.667 . 0 0 "[ ]" 1
318 1 28 GLY QA 1 29 GLU H . . 2.690 2.154 2.154 2.154 . 0 0 "[ ]" 1
319 1 28 GLY QA 1 33 TYR QD . . 6.080 2.536 2.536 2.536 . 0 0 "[ ]" 1
320 1 28 GLY QA 1 33 TYR QE . . 8.880 2.172 2.172 2.172 . 0 0 "[ ]" 1
321 1 28 GLY QA 1 70 LYS QD . . 7.880 6.272 6.272 6.272 . 0 0 "[ ]" 1
322 1 28 GLY QA 1 74 PHE QE . . 6.340 1.988 1.988 1.988 . 0 0 "[ ]" 1
323 1 28 GLY QA 1 74 PHE HZ . . 3.480 2.979 2.979 2.979 . 0 0 "[ ]" 1
324 1 28 GLY HA2 1 29 GLU H . . 3.200 3.117 3.117 3.117 . 0 0 "[ ]" 1
325 1 28 GLY HA2 1 74 PHE QE . . 6.500 2.261 2.261 2.261 . 0 0 "[ ]" 1
326 1 28 GLY HA3 1 29 GLU H . . 3.200 2.196 2.196 2.196 . 0 0 "[ ]" 1
327 1 28 GLY HA3 1 74 PHE QE . . 6.500 2.204 2.204 2.204 . 0 0 "[ ]" 1
328 1 28 GLY N 1 31 GLN O . . 3.300 2.879 2.879 2.879 . 0 0 "[ ]" 1
329 1 29 GLU H 1 29 GLU HA . . 2.900 2.787 2.787 2.787 . 0 0 "[ ]" 1
330 1 29 GLU H 1 29 GLU HB2 . . 3.200 2.456 2.456 2.456 . 0 0 "[ ]" 1
331 1 29 GLU H 1 29 GLU HB3 . . 3.400 3.463 3.463 3.463 0.063 1 0 "[ ]" 1
332 1 29 GLU H 1 30 ASP H . . 3.100 2.854 2.854 2.854 . 0 0 "[ ]" 1
333 1 29 GLU H 1 33 TYR QD . . 8.000 4.432 4.432 4.432 . 0 0 "[ ]" 1
334 1 29 GLU H 1 74 PHE QE . . 8.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
335 1 29 GLU H 1 74 PHE HZ . . 6.000 3.397 3.397 3.397 . 0 0 "[ ]" 1
336 1 29 GLU HA 1 29 GLU HB3 . . 2.800 2.452 2.452 2.452 . 0 0 "[ ]" 1
337 1 29 GLU HA 1 29 GLU HG2 . . 3.700 3.586 3.586 3.586 . 0 0 "[ ]" 1
338 1 29 GLU HA 1 29 GLU QG . . 3.490 2.399 2.399 2.399 . 0 0 "[ ]" 1
339 1 29 GLU HA 1 29 GLU HG3 . . 3.700 2.437 2.437 2.437 . 0 0 "[ ]" 1
340 1 29 GLU HA 1 30 ASP HA . . 5.300 4.730 4.730 4.730 . 0 0 "[ ]" 1
341 1 29 GLU HB2 1 30 ASP H . . 3.100 2.095 2.095 2.095 . 0 0 "[ ]" 1
342 1 29 GLU HB2 1 30 ASP HA . . 5.700 4.605 4.605 4.605 . 0 0 "[ ]" 1
343 1 29 GLU HB2 1 74 PHE HZ . . 6.000 5.200 5.200 5.200 . 0 0 "[ ]" 1
344 1 29 GLU HB3 1 30 ASP H . . 3.100 3.147 3.147 3.147 0.047 1 0 "[ ]" 1
345 1 29 GLU HB3 1 30 ASP HA . . 5.500 4.659 4.659 4.659 . 0 0 "[ ]" 1
346 1 29 GLU QG 1 30 ASP H . . 6.280 4.133 4.133 4.133 . 0 0 "[ ]" 1
347 1 30 ASP H 1 30 ASP HB2 . . 3.000 3.048 3.048 3.048 0.048 1 0 "[ ]" 1
348 1 30 ASP H 1 30 ASP HB3 . . 3.400 2.300 2.300 2.300 . 0 0 "[ ]" 1
349 1 30 ASP H 1 31 GLN H . . 2.400 2.456 2.456 2.456 0.056 1 0 "[ ]" 1
350 1 30 ASP H 1 33 TYR QD . . 8.000 5.676 5.676 5.676 . 0 0 "[ ]" 1
351 1 30 ASP HB3 1 31 GLN H . . 4.800 2.043 2.043 2.043 . 0 0 "[ ]" 1
352 1 31 GLN H 1 31 GLN QE . . 6.870 4.454 4.454 4.454 . 0 0 "[ ]" 1
353 1 31 GLN H 1 31 GLN HG2 . . 4.500 2.078 2.078 2.078 . 0 0 "[ ]" 1
354 1 31 GLN H 1 31 GLN HG3 . . 4.300 2.366 2.366 2.366 . 0 0 "[ ]" 1
355 1 31 GLN HA 1 31 GLN HB2 . . 3.000 2.532 2.532 2.532 . 0 0 "[ ]" 1
356 1 31 GLN HA 1 31 GLN QB . . 2.720 2.181 2.181 2.181 . 0 0 "[ ]" 1
357 1 31 GLN HA 1 31 GLN HB3 . . 3.000 2.381 2.381 2.381 . 0 0 "[ ]" 1
358 1 31 GLN HA 1 32 TYR H . . 3.200 2.477 2.477 2.477 . 0 0 "[ ]" 1
359 1 31 GLN HA 1 32 TYR HB3 . . 6.000 5.891 5.891 5.891 . 0 0 "[ ]" 1
360 1 31 GLN QE 1 32 TYR H . . 6.870 4.097 4.097 4.097 . 0 0 "[ ]" 1
361 1 31 GLN HG2 1 33 TYR QD . . 7.800 5.748 5.748 5.748 . 0 0 "[ ]" 1
362 1 31 GLN HG3 1 32 TYR H . . 6.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
363 1 31 GLN HG3 1 32 TYR HA . . 6.000 4.504 4.504 4.504 . 0 0 "[ ]" 1
364 1 31 GLN HG3 1 33 TYR HA . . 5.300 5.355 5.355 5.355 0.055 1 0 "[ ]" 1
365 1 31 GLN HG3 1 33 TYR QD . . 8.000 4.170 4.170 4.170 . 0 0 "[ ]" 1
366 1 31 GLN HG3 1 33 TYR QE . . 8.000 2.684 2.684 2.684 . 0 0 "[ ]" 1
367 1 32 TYR H 1 33 TYR H . . 4.800 4.489 4.489 4.489 . 0 0 "[ ]" 1
368 1 32 TYR H 1 33 TYR QE . . 8.000 5.200 5.200 5.200 . 0 0 "[ ]" 1
369 1 32 TYR HA 1 32 TYR HB3 . . 2.800 2.387 2.387 2.387 . 0 0 "[ ]" 1
370 1 32 TYR HA 1 33 TYR H . . 2.400 2.234 2.234 2.234 . 0 0 "[ ]" 1
371 1 32 TYR HA 1 33 TYR QD . . 8.000 2.908 2.908 2.908 . 0 0 "[ ]" 1
372 1 32 TYR HB3 1 33 TYR H . . 3.100 2.232 2.232 2.232 . 0 0 "[ ]" 1
373 1 32 TYR HB3 1 33 TYR QE . . 7.200 6.120 6.120 6.120 . 0 0 "[ ]" 1
374 1 33 TYR H 1 33 TYR HB2 . . 3.500 2.688 2.688 2.688 . 0 0 "[ ]" 1
375 1 33 TYR H 1 33 TYR HB3 . . 3.800 3.807 3.807 3.807 0.007 1 0 "[ ]" 1
376 1 33 TYR H 1 34 ILE H . . 4.700 4.345 4.345 4.345 . 0 0 "[ ]" 1
377 1 33 TYR H 1 75 PHE HZ . . 6.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
378 1 33 TYR HA 1 34 ILE H . . 2.600 2.544 2.544 2.544 . 0 0 "[ ]" 1
379 1 33 TYR HB2 1 34 ILE H . . 3.200 3.289 3.289 3.289 0.089 1 0 "[ ]" 1
380 1 33 TYR HB2 1 75 PHE QE . . 5.400 3.068 3.068 3.068 . 0 0 "[ ]" 1
381 1 33 TYR HB2 1 75 PHE HZ . . 4.300 2.478 2.478 2.478 . 0 0 "[ ]" 1
382 1 33 TYR HB3 1 34 ILE H . . 4.000 2.184 2.184 2.184 . 0 0 "[ ]" 1
383 1 33 TYR HB3 1 75 PHE QE . . 6.100 2.804 2.804 2.804 . 0 0 "[ ]" 1
384 1 33 TYR HB3 1 75 PHE HZ . . 5.400 3.573 3.573 3.573 . 0 0 "[ ]" 1
385 1 33 TYR QD 1 70 LYS HB3 . . 8.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
386 1 33 TYR QD 1 70 LYS QE . . 8.200 5.316 5.316 5.316 . 0 0 "[ ]" 1
387 1 33 TYR QD 1 70 LYS HG2 . . 7.300 3.671 3.671 3.671 . 0 0 "[ ]" 1
388 1 33 TYR QD 1 70 LYS HG3 . . 7.900 5.344 5.344 5.344 . 0 0 "[ ]" 1
389 1 33 TYR QD 1 71 ASN H . . 8.000 3.418 3.418 3.418 . 0 0 "[ ]" 1
390 1 33 TYR QD 1 71 ASN HA . . 7.200 2.447 2.447 2.447 . 0 0 "[ ]" 1
391 1 33 TYR QD 1 74 PHE H . . 8.000 5.271 5.271 5.271 . 0 0 "[ ]" 1
392 1 33 TYR QD 1 74 PHE QB . . 8.880 3.912 3.912 3.912 . 0 0 "[ ]" 1
393 1 33 TYR QD 1 74 PHE QD . . 10.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
394 1 33 TYR QD 1 74 PHE QE . . 9.900 3.092 3.092 3.092 . 0 0 "[ ]" 1
395 1 33 TYR QD 1 74 PHE HZ . . 8.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
396 1 33 TYR QD 1 75 PHE QE . . 10.000 4.327 4.327 4.327 . 0 0 "[ ]" 1
397 1 33 TYR QE 1 71 ASN HA . . 8.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
398 1 33 TYR QE 1 74 PHE QB . . 7.880 5.378 5.378 5.378 . 0 0 "[ ]" 1
399 1 33 TYR QE 1 75 PHE QE . . 10.000 6.253 6.253 6.253 . 0 0 "[ ]" 1
400 1 33 TYR HH 1 67 TYR QD . . 6.900 5.625 5.625 5.625 . 0 0 "[ ]" 1
401 1 33 TYR HH 1 67 TYR QE . . 7.400 5.535 5.535 5.535 . 0 0 "[ ]" 1
402 1 33 TYR HH 1 71 ASN QD . . 7.000 5.988 5.988 5.988 . 0 0 "[ ]" 1
403 1 34 ILE H 1 34 ILE HB . . 2.700 2.707 2.707 2.707 0.007 1 0 "[ ]" 1
404 1 34 ILE H 1 75 PHE QE . . 7.900 3.169 3.169 3.169 . 0 0 "[ ]" 1
405 1 34 ILE HA 1 35 ASP H . . 2.400 2.343 2.343 2.343 . 0 0 "[ ]" 1
406 1 34 ILE HA 1 75 PHE QE . . 8.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
407 1 34 ILE HB 1 35 ASP H . . 5.200 4.127 4.127 4.127 . 0 0 "[ ]" 1
408 1 34 ILE MG 1 39 CYS HB2 . . 3.000 2.570 2.570 2.570 . 0 0 "[ ]" 1
409 1 35 ASP H 1 35 ASP HA . . 2.800 2.916 2.916 2.916 0.116 1 0 "[ ]" 1
410 1 35 ASP H 1 35 ASP HB2 . . 3.600 2.773 2.773 2.773 . 0 0 "[ ]" 1
411 1 35 ASP H 1 35 ASP QB . . 3.060 2.363 2.363 2.363 . 0 0 "[ ]" 1
412 1 35 ASP H 1 35 ASP HB3 . . 3.600 2.561 2.561 2.561 . 0 0 "[ ]" 1
413 1 35 ASP H 1 75 PHE QE . . 7.900 3.897 3.897 3.897 . 0 0 "[ ]" 1
414 1 35 ASP H 1 75 PHE HZ . . 5.700 5.078 5.078 5.078 . 0 0 "[ ]" 1
415 1 35 ASP HA 1 36 PRO QD . . 3.250 2.071 2.071 2.071 . 0 0 "[ ]" 1
416 1 35 ASP HA 1 36 PRO HG2 . . 6.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
417 1 35 ASP HA 1 36 PRO HG3 . . 6.000 4.197 4.197 4.197 . 0 0 "[ ]" 1
418 1 35 ASP HA 1 37 ASP H . . 3.800 3.717 3.717 3.717 . 0 0 "[ ]" 1
419 1 35 ASP HA 1 75 PHE QD . . 5.500 2.214 2.214 2.214 . 0 0 "[ ]" 1
420 1 35 ASP HA 1 75 PHE QE . . 5.700 3.299 3.299 3.299 . 0 0 "[ ]" 1
421 1 35 ASP HA 1 75 PHE HZ . . 6.000 5.401 5.401 5.401 . 0 0 "[ ]" 1
422 1 35 ASP QB 1 36 PRO QD . . 6.290 3.833 3.833 3.833 . 0 0 "[ ]" 1
423 1 35 ASP QB 1 37 ASP HB2 . . 6.880 4.914 4.914 4.914 . 0 0 "[ ]" 1
424 1 35 ASP QB 1 38 VAL HB . . 5.180 2.162 2.162 2.162 . 0 0 "[ ]" 1
425 1 35 ASP QB 1 38 VAL MG2 . . 4.570 2.871 2.871 2.871 . 0 0 "[ ]" 1
426 1 35 ASP QB 1 75 PHE QB . . 6.850 3.006 3.006 3.006 . 0 0 "[ ]" 1
427 1 35 ASP QB 1 75 PHE QD . . 8.480 2.802 2.802 2.802 . 0 0 "[ ]" 1
428 1 35 ASP HB2 1 36 PRO HD2 . . 7.750 4.975 4.975 4.975 . 0 0 "[ ]" 1
429 1 35 ASP HB2 1 36 PRO HD3 . . 7.750 4.535 4.535 4.535 . 0 0 "[ ]" 1
430 1 35 ASP HB2 1 38 VAL MG2 . . 4.800 3.698 3.698 3.698 . 0 0 "[ ]" 1
431 1 35 ASP HB2 1 75 PHE QE . . 8.000 3.851 3.851 3.851 . 0 0 "[ ]" 1
432 1 35 ASP HB3 1 36 PRO HD2 . . 7.750 5.056 5.056 5.056 . 0 0 "[ ]" 1
433 1 35 ASP HB3 1 36 PRO HD3 . . 7.750 4.876 4.876 4.876 . 0 0 "[ ]" 1
434 1 35 ASP HB3 1 38 VAL MG2 . . 4.800 2.991 2.991 2.991 . 0 0 "[ ]" 1
435 1 35 ASP HB3 1 75 PHE QE . . 8.000 5.098 5.098 5.098 . 0 0 "[ ]" 1
436 1 35 ASP O 1 39 CYS H . . 2.400 1.914 1.914 1.914 . 0 0 "[ ]" 1
437 1 35 ASP O 1 39 CYS N . . 3.300 2.900 2.900 2.900 . 0 0 "[ ]" 1
438 1 36 PRO HA 1 38 VAL H . . 5.300 4.431 4.431 4.431 . 0 0 "[ ]" 1
439 1 36 PRO HA 1 39 CYS H . . 3.400 3.288 3.288 3.288 . 0 0 "[ ]" 1
440 1 36 PRO HA 1 39 CYS HB2 . . 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
441 1 36 PRO HB2 1 72 ARG QD . . 6.880 4.163 4.163 4.163 . 0 0 "[ ]" 1
442 1 36 PRO HB2 1 72 ARG HE . . 6.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
443 1 36 PRO QD 1 72 ARG HA . . 4.480 2.763 2.763 2.763 . 0 0 "[ ]" 1
444 1 36 PRO QD 1 72 ARG HG3 . . 5.080 2.542 2.542 2.542 . 0 0 "[ ]" 1
445 1 36 PRO QD 1 75 PHE QD . . 7.800 3.218 3.218 3.218 . 0 0 "[ ]" 1
446 1 36 PRO QD 1 76 LYS QD . . 7.880 6.237 6.237 6.237 . 0 0 "[ ]" 1
447 1 36 PRO HD2 1 75 PHE QD . . 8.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
448 1 36 PRO HD2 1 75 PHE QE . . 8.000 5.563 5.563 5.563 . 0 0 "[ ]" 1
449 1 36 PRO HD3 1 75 PHE QD . . 8.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
450 1 36 PRO HD3 1 75 PHE QE . . 8.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
451 1 36 PRO QG 1 37 ASP H . . 5.060 4.043 4.043 4.043 . 0 0 "[ ]" 1
452 1 36 PRO QG 1 37 ASP HB2 . . 6.180 5.114 5.114 5.114 . 0 0 "[ ]" 1
453 1 36 PRO QG 1 72 ARG HG3 . . 5.500 2.991 2.991 2.991 . 0 0 "[ ]" 1
454 1 36 PRO HG2 1 72 ARG HA . . 4.700 3.857 3.857 3.857 . 0 0 "[ ]" 1
455 1 36 PRO HG2 1 72 ARG HG3 . . 6.000 3.034 3.034 3.034 . 0 0 "[ ]" 1
456 1 36 PRO HG3 1 72 ARG HA . . 4.700 4.752 4.752 4.752 0.052 1 0 "[ ]" 1
457 1 36 PRO HG3 1 72 ARG HG3 . . 6.000 4.532 4.532 4.532 . 0 0 "[ ]" 1
458 1 37 ASP H 1 37 ASP HB2 . . 3.000 2.029 2.029 2.029 . 0 0 "[ ]" 1
459 1 37 ASP H 1 37 ASP HB3 . . 3.100 3.343 3.343 3.343 0.243 1 0 "[ ]" 1
460 1 37 ASP H 1 38 VAL H . . 3.600 2.025 2.025 2.025 . 0 0 "[ ]" 1
461 1 37 ASP H 1 38 VAL MG2 . . 7.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
462 1 37 ASP HA 1 37 ASP HB2 . . 2.700 2.929 2.929 2.929 0.229 1 0 "[ ]" 1
463 1 37 ASP HB2 1 38 VAL H . . 3.900 2.878 2.878 2.878 . 0 0 "[ ]" 1
464 1 37 ASP HB2 1 38 VAL MG2 . . 7.000 3.895 3.895 3.895 . 0 0 "[ ]" 1
465 1 37 ASP HB3 1 38 VAL H . . 4.000 3.725 3.725 3.725 . 0 0 "[ ]" 1
466 1 37 ASP HB3 1 38 VAL MG2 . . 5.500 4.372 4.372 4.372 . 0 0 "[ ]" 1
467 1 38 VAL H 1 38 VAL HB . . 2.800 2.295 2.295 2.295 . 0 0 "[ ]" 1
468 1 38 VAL H 1 38 VAL MG2 . . 3.800 2.510 2.510 2.510 . 0 0 "[ ]" 1
469 1 38 VAL H 1 39 CYS H . . 2.500 2.544 2.544 2.544 0.044 1 0 "[ ]" 1
470 1 38 VAL HA 1 38 VAL MG1 . . 3.400 2.501 2.501 2.501 . 0 0 "[ ]" 1
471 1 38 VAL HA 1 38 VAL MG2 . . 3.400 2.365 2.365 2.365 . 0 0 "[ ]" 1
472 1 38 VAL HB 1 39 CYS H . . 3.200 2.586 2.586 2.586 . 0 0 "[ ]" 1
473 1 38 VAL MG1 1 39 CYS HB2 . . 5.100 4.299 4.299 4.299 . 0 0 "[ ]" 1
474 1 38 VAL MG2 1 39 CYS H . . 7.000 4.014 4.014 4.014 . 0 0 "[ ]" 1
475 1 39 CYS H 1 39 CYS HB2 . . 2.400 2.477 2.477 2.477 0.077 1 0 "[ ]" 1
476 1 39 CYS SG 1 41 ASP H . . 2.700 2.927 2.927 2.927 0.227 1 0 "[ ]" 1
477 1 39 CYS SG 1 42 CYS SG . . 6.380 5.765 5.765 5.765 . 0 0 "[ ]" 1
478 1 39 CYS SG 1 45 CYS SG . . 6.380 5.817 5.817 5.817 . 0 0 "[ ]" 1
479 1 40 ILE HA 1 40 ILE HB . . 2.400 2.426 2.426 2.426 0.026 1 0 "[ ]" 1
480 1 40 ILE HA 1 41 ASP H . . 3.400 3.066 3.066 3.066 . 0 0 "[ ]" 1
481 1 40 ILE HB 1 41 ASP H . . 4.800 4.546 4.546 4.546 . 0 0 "[ ]" 1
482 1 40 ILE HB 1 41 ASP QB . . 6.880 4.865 4.865 4.865 . 0 0 "[ ]" 1
483 1 40 ILE HB 1 42 CYS HB3 . . 4.500 4.583 4.583 4.583 0.083 1 0 "[ ]" 1
484 1 40 ILE MD 1 41 ASP H . . 5.100 4.302 4.302 4.302 . 0 0 "[ ]" 1
485 1 40 ILE QG 1 41 ASP H . . 4.900 3.861 3.861 3.861 . 0 0 "[ ]" 1
486 1 40 ILE QG 1 42 CYS HB3 . . 3.100 2.396 2.396 2.396 . 0 0 "[ ]" 1
487 1 41 ASP H 1 41 ASP HB2 . . 4.100 3.405 3.405 3.405 . 0 0 "[ ]" 1
488 1 41 ASP H 1 41 ASP QB . . 3.810 3.244 3.244 3.244 . 0 0 "[ ]" 1
489 1 41 ASP H 1 41 ASP HB3 . . 4.100 4.080 4.080 4.080 . 0 0 "[ ]" 1
490 1 42 CYS HA 1 42 CYS HB3 . . 2.900 2.674 2.674 2.674 . 0 0 "[ ]" 1
491 1 42 CYS SG 1 45 CYS SG . . 6.380 5.425 5.425 5.425 . 0 0 "[ ]" 1
492 1 43 GLY QA 1 46 GLU H . . 5.090 3.698 3.698 3.698 . 0 0 "[ ]" 1
493 1 43 GLY HA2 1 46 GLU H . . 5.600 3.790 3.790 3.790 . 0 0 "[ ]" 1
494 1 43 GLY HA3 1 46 GLU H . . 5.600 5.149 5.149 5.149 . 0 0 "[ ]" 1
495 1 45 CYS HA 1 48 VAL QG . . 5.560 2.476 2.476 2.476 . 0 0 "[ ]" 1
496 1 45 CYS HB2 1 48 VAL QG . . 6.060 3.512 3.512 3.512 . 0 0 "[ ]" 1
497 1 45 CYS HB2 1 54 ILE MD . . 4.500 2.213 2.213 2.213 . 0 0 "[ ]" 1
498 1 45 CYS O 1 49 CYS H . . 2.400 1.830 1.830 1.830 . 0 0 "[ ]" 1
499 1 45 CYS O 1 49 CYS N . . 3.300 2.825 2.825 2.825 . 0 0 "[ ]" 1
500 1 46 GLU H 1 54 ILE HB . . 6.000 4.429 4.429 4.429 . 0 0 "[ ]" 1
501 1 46 GLU H 1 54 ILE MG . . 7.000 3.599 3.599 3.599 . 0 0 "[ ]" 1
502 1 46 GLU QB 1 47 ALA HA . . 4.800 4.087 4.087 4.087 . 0 0 "[ ]" 1
503 1 46 GLU QB 1 54 ILE MG . . 6.900 3.530 3.530 3.530 . 0 0 "[ ]" 1
504 1 47 ALA H 1 47 ALA MB . . 3.400 2.228 2.228 2.228 . 0 0 "[ ]" 1
505 1 47 ALA H 1 48 VAL H . . 3.000 2.681 2.681 2.681 . 0 0 "[ ]" 1
506 1 47 ALA MB 1 48 VAL H . . 3.600 2.714 2.714 2.714 . 0 0 "[ ]" 1
507 1 47 ALA MB 1 48 VAL HA . . 4.900 3.775 3.775 3.775 . 0 0 "[ ]" 1
508 1 47 ALA MB 1 48 VAL QG . . 8.060 3.753 3.753 3.753 . 0 0 "[ ]" 1
509 1 48 VAL H 1 48 VAL MG1 . . 4.100 2.891 2.891 2.891 . 0 0 "[ ]" 1
510 1 48 VAL H 1 48 VAL QG . . 3.630 2.751 2.751 2.751 . 0 0 "[ ]" 1
511 1 48 VAL H 1 48 VAL MG2 . . 4.100 3.447 3.447 3.447 . 0 0 "[ ]" 1
512 1 48 VAL H 1 49 CYS H . . 5.300 2.513 2.513 2.513 . 0 0 "[ ]" 1
513 1 48 VAL HA 1 48 VAL HB . . 2.600 2.701 2.701 2.701 0.101 1 0 "[ ]" 1
514 1 48 VAL QG 1 49 CYS HB2 . . 6.960 3.281 3.281 3.281 . 0 0 "[ ]" 1
515 1 49 CYS H 1 49 CYS HB2 . . 3.500 2.450 2.450 2.450 . 0 0 "[ ]" 1
516 1 49 CYS H 1 49 CYS HB3 . . 3.300 2.496 2.496 2.496 . 0 0 "[ ]" 1
517 1 49 CYS HB2 1 52 SER HA . . 3.800 3.839 3.839 3.839 0.039 1 0 "[ ]" 1
518 1 49 CYS HB2 1 53 ALA H . . 4.400 4.429 4.429 4.429 0.029 1 0 "[ ]" 1
519 1 49 CYS HB2 1 54 ILE H . . 4.400 3.535 3.535 3.535 . 0 0 "[ ]" 1
520 1 49 CYS HB2 1 54 ILE HB . . 3.800 3.343 3.343 3.343 . 0 0 "[ ]" 1
521 1 49 CYS HB2 1 54 ILE MD . . 4.600 2.433 2.433 2.433 . 0 0 "[ ]" 1
522 1 49 CYS HB2 1 54 ILE QG . . 4.900 2.965 2.965 2.965 . 0 0 "[ ]" 1
523 1 49 CYS HB2 1 54 ILE MG . . 5.400 4.513 4.513 4.513 . 0 0 "[ ]" 1
524 1 49 CYS HB3 1 52 SER H . . 4.400 3.365 3.365 3.365 . 0 0 "[ ]" 1
525 1 49 CYS HB3 1 52 SER HA . . 2.900 2.152 2.152 2.152 . 0 0 "[ ]" 1
526 1 49 CYS HB3 1 52 SER QB . . 5.180 4.032 4.032 4.032 . 0 0 "[ ]" 1
527 1 49 CYS HB3 1 53 ALA H . . 4.100 3.310 3.310 3.310 . 0 0 "[ ]" 1
528 1 49 CYS HB3 1 54 ILE H . . 4.100 3.046 3.046 3.046 . 0 0 "[ ]" 1
529 1 49 CYS HB3 1 54 ILE HB . . 4.100 3.271 3.271 3.271 . 0 0 "[ ]" 1
530 1 49 CYS SG 1 54 ILE H . . 2.700 2.635 2.635 2.635 . 0 0 "[ ]" 1
531 1 50 PRO HB2 1 51 VAL MG2 . . 3.900 3.130 3.130 3.130 . 0 0 "[ ]" 1
532 1 51 VAL HA 1 51 VAL MG1 . . 3.400 2.250 2.250 2.250 . 0 0 "[ ]" 1
533 1 51 VAL HA 1 51 VAL MG2 . . 3.400 2.606 2.606 2.606 . 0 0 "[ ]" 1
534 1 51 VAL MG1 1 52 SER H . . 6.200 4.404 4.404 4.404 . 0 0 "[ ]" 1
535 1 52 SER HA 1 52 SER HB2 . . 3.000 3.019 3.019 3.019 0.019 1 0 "[ ]" 1
536 1 52 SER HA 1 52 SER QB . . 2.570 2.303 2.303 2.303 . 0 0 "[ ]" 1
537 1 52 SER HA 1 52 SER HB3 . . 3.000 2.389 2.389 2.389 . 0 0 "[ ]" 1
538 1 52 SER HA 1 54 ILE H . . 3.900 3.067 3.067 3.067 . 0 0 "[ ]" 1
539 1 54 ILE H 1 54 ILE HB . . 3.500 2.409 2.409 2.409 . 0 0 "[ ]" 1
540 1 54 ILE HA 1 54 ILE MG . . 3.400 2.414 2.414 2.414 . 0 0 "[ ]" 1
541 1 54 ILE HA 1 55 TYR H . . 2.400 2.186 2.186 2.186 . 0 0 "[ ]" 1
542 1 54 ILE HA 1 55 TYR HB2 . . 4.500 4.512 4.512 4.512 0.012 1 0 "[ ]" 1
543 1 54 ILE HA 1 55 TYR QD . . 7.700 4.918 4.918 4.918 . 0 0 "[ ]" 1
544 1 55 TYR H 1 55 TYR HA . . 2.900 2.983 2.983 2.983 0.083 1 0 "[ ]" 1
545 1 55 TYR H 1 55 TYR HB2 . . 2.500 2.510 2.510 2.510 0.010 1 0 "[ ]" 1
546 1 55 TYR H 1 55 TYR HB3 . . 3.700 3.722 3.722 3.722 0.022 1 0 "[ ]" 1
547 1 55 TYR H 1 55 TYR QE . . 6.900 5.527 5.527 5.527 . 0 0 "[ ]" 1
548 1 55 TYR H 1 60 VAL MG2 . . 5.100 3.568 3.568 3.568 . 0 0 "[ ]" 1
549 1 55 TYR HA 1 55 TYR HB2 . . 2.900 2.982 2.982 2.982 0.082 1 0 "[ ]" 1
550 1 55 TYR HA 1 55 TYR HB3 . . 2.600 2.541 2.541 2.541 . 0 0 "[ ]" 1
551 1 55 TYR HA 1 56 HIS H . . 2.500 2.271 2.271 2.271 . 0 0 "[ ]" 1
552 1 55 TYR HA 1 56 HIS HB2 . . 5.100 4.310 4.310 4.310 . 0 0 "[ ]" 1
553 1 55 TYR HA 1 56 HIS QB . . 4.410 3.994 3.994 3.994 . 0 0 "[ ]" 1
554 1 55 TYR HA 1 56 HIS HB3 . . 5.100 4.720 4.720 4.720 . 0 0 "[ ]" 1
555 1 55 TYR HA 1 60 VAL MG2 . . 6.100 4.092 4.092 4.092 . 0 0 "[ ]" 1
556 1 55 TYR HB2 1 60 VAL HA . . 3.900 3.704 3.704 3.704 . 0 0 "[ ]" 1
557 1 55 TYR HB2 1 60 VAL MG2 . . 3.400 2.204 2.204 2.204 . 0 0 "[ ]" 1
558 1 55 TYR HB3 1 56 HIS H . . 3.400 2.656 2.656 2.656 . 0 0 "[ ]" 1
559 1 55 TYR HB3 1 56 HIS HA . . 5.100 4.755 4.755 4.755 . 0 0 "[ ]" 1
560 1 55 TYR HB3 1 59 PHE HB2 . . 4.900 3.004 3.004 3.004 . 0 0 "[ ]" 1
561 1 55 TYR HB3 1 60 VAL HA . . 3.800 3.500 3.500 3.500 . 0 0 "[ ]" 1
562 1 55 TYR HB3 1 60 VAL HB . . 6.000 4.756 4.756 4.756 . 0 0 "[ ]" 1
563 1 55 TYR HB3 1 60 VAL MG2 . . 4.900 2.360 2.360 2.360 . 0 0 "[ ]" 1
564 1 55 TYR QD 1 56 HIS H . . 8.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
565 1 55 TYR QD 1 59 PHE HB2 . . 7.000 4.228 4.228 4.228 . 0 0 "[ ]" 1
566 1 55 TYR QD 1 59 PHE HB3 . . 6.700 4.223 4.223 4.223 . 0 0 "[ ]" 1
567 1 55 TYR QD 1 60 VAL HA . . 6.600 4.339 4.339 4.339 . 0 0 "[ ]" 1
568 1 55 TYR QD 1 60 VAL MG2 . . 6.300 3.427 3.427 3.427 . 0 0 "[ ]" 1
569 1 55 TYR QD 1 61 PRO HD2 . . 6.900 4.670 4.670 4.670 . 0 0 "[ ]" 1
570 1 55 TYR QD 1 61 PRO HD3 . . 7.100 4.710 4.710 4.710 . 0 0 "[ ]" 1
571 1 55 TYR QE 1 60 VAL HA . . 8.000 5.936 5.936 5.936 . 0 0 "[ ]" 1
572 1 55 TYR QE 1 61 PRO HD2 . . 7.500 5.967 5.967 5.967 . 0 0 "[ ]" 1
573 1 55 TYR QE 1 61 PRO HD3 . . 8.000 5.587 5.587 5.587 . 0 0 "[ ]" 1
574 1 55 TYR QE 1 61 PRO HG2 . . 8.000 6.874 6.874 6.874 . 0 0 "[ ]" 1
575 1 55 TYR QE 1 61 PRO HG3 . . 8.000 6.203 6.203 6.203 . 0 0 "[ ]" 1
576 1 55 TYR QE 1 64 TRP HE3 . . 7.200 5.029 5.029 5.029 . 0 0 "[ ]" 1
577 1 55 TYR QE 1 64 TRP HZ3 . . 5.400 4.140 4.140 4.140 . 0 0 "[ ]" 1
578 1 56 HIS H 1 56 HIS QB . . 3.380 2.202 2.202 2.202 . 0 0 "[ ]" 1
579 1 56 HIS H 1 59 PHE HB2 . . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 1
580 1 56 HIS H 1 59 PHE QD . . 8.000 2.885 2.885 2.885 . 0 0 "[ ]" 1
581 1 56 HIS HA 1 56 HIS HD2 . . 5.100 2.714 2.714 2.714 . 0 0 "[ ]" 1
582 1 56 HIS HA 1 56 HIS HE1 . . 5.700 5.454 5.454 5.454 . 0 0 "[ ]" 1
583 1 56 HIS HA 1 57 GLU H . . 2.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
584 1 56 HIS QB 1 58 ASP H . . 4.680 3.455 3.455 3.455 . 0 0 "[ ]" 1
585 1 56 HIS QB 1 59 PHE H . . 4.050 2.829 2.829 2.829 . 0 0 "[ ]" 1
586 1 56 HIS QB 1 59 PHE HB2 . . 6.880 2.715 2.715 2.715 . 0 0 "[ ]" 1
587 1 56 HIS QB 1 59 PHE QD . . 6.750 2.854 2.854 2.854 . 0 0 "[ ]" 1
588 1 56 HIS HB2 1 59 PHE H . . 4.700 4.588 4.588 4.588 . 0 0 "[ ]" 1
589 1 56 HIS HB2 1 59 PHE HB3 . . 6.000 5.497 5.497 5.497 . 0 0 "[ ]" 1
590 1 56 HIS HB2 1 59 PHE QD . . 7.600 3.667 3.667 3.667 . 0 0 "[ ]" 1
591 1 56 HIS HB3 1 59 PHE H . . 4.700 2.855 2.855 2.855 . 0 0 "[ ]" 1
592 1 56 HIS HB3 1 59 PHE HB3 . . 6.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
593 1 56 HIS HB3 1 59 PHE QD . . 7.600 2.976 2.976 2.976 . 0 0 "[ ]" 1
594 1 56 HIS HD2 1 57 GLU H . . 6.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
595 1 56 HIS HE1 1 57 GLU QB . . 5.380 4.817 4.817 4.817 . 0 0 "[ ]" 1
596 1 56 HIS HE1 1 57 GLU QG . . 6.380 2.720 2.720 2.720 . 0 0 "[ ]" 1
597 1 56 HIS HE1 1 58 ASP H . . 4.900 3.248 3.248 3.248 . 0 0 "[ ]" 1
598 1 56 HIS HE1 1 58 ASP HB2 . . 3.600 3.005 3.005 3.005 . 0 0 "[ ]" 1
599 1 56 HIS HE1 1 58 ASP HB3 . . 6.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
600 1 56 HIS O 1 60 VAL H . . 2.400 1.851 1.851 1.851 . 0 0 "[ ]" 1
601 1 56 HIS O 1 60 VAL N . . 3.300 2.801 2.801 2.801 . 0 0 "[ ]" 1
602 1 57 GLU H 1 57 GLU HB2 . . 3.400 3.483 3.483 3.483 0.083 1 0 "[ ]" 1
603 1 57 GLU H 1 57 GLU QB . . 3.080 2.349 2.349 2.349 . 0 0 "[ ]" 1
604 1 57 GLU H 1 57 GLU HB3 . . 3.400 2.388 2.388 2.388 . 0 0 "[ ]" 1
605 1 57 GLU H 1 57 GLU QG . . 4.680 2.064 2.064 2.064 . 0 0 "[ ]" 1
606 1 57 GLU H 1 58 ASP H . . 3.600 2.994 2.994 2.994 . 0 0 "[ ]" 1
607 1 57 GLU HA 1 57 GLU HB2 . . 3.000 2.516 2.516 2.516 . 0 0 "[ ]" 1
608 1 57 GLU HA 1 57 GLU QB . . 2.720 2.208 2.208 2.208 . 0 0 "[ ]" 1
609 1 57 GLU HA 1 57 GLU HB3 . . 3.000 2.445 2.445 2.445 . 0 0 "[ ]" 1
610 1 57 GLU HA 1 60 VAL H . . 4.300 3.649 3.649 3.649 . 0 0 "[ ]" 1
611 1 57 GLU HA 1 60 VAL HB . . 2.400 2.468 2.468 2.468 0.068 1 0 "[ ]" 1
612 1 57 GLU HA 1 65 LYS QD . . 7.000 6.138 6.138 6.138 . 0 0 "[ ]" 1
613 1 57 GLU HA 1 68 ILE MD . . 6.300 3.677 3.677 3.677 . 0 0 "[ ]" 1
614 1 57 GLU HA 1 68 ILE QG . . 6.680 2.325 2.325 2.325 . 0 0 "[ ]" 1
615 1 57 GLU QB 1 57 GLU QG . . 2.480 2.064 2.064 2.064 . 0 0 "[ ]" 1
616 1 57 GLU QB 1 58 ASP H . . 4.190 3.529 3.529 3.529 . 0 0 "[ ]" 1
617 1 57 GLU QB 1 60 VAL MG1 . . 7.180 4.603 4.603 4.603 . 0 0 "[ ]" 1
618 1 57 GLU QB 1 68 ILE QG . . 5.250 2.900 2.900 2.900 . 0 0 "[ ]" 1
619 1 57 GLU QB 1 68 ILE MG . . 4.560 2.149 2.149 2.149 . 0 0 "[ ]" 1
620 1 57 GLU HB2 1 58 ASP H . . 4.800 3.828 3.828 3.828 . 0 0 "[ ]" 1
621 1 57 GLU HB2 1 68 ILE MG . . 5.200 2.247 2.247 2.247 . 0 0 "[ ]" 1
622 1 57 GLU HB3 1 58 ASP H . . 4.800 4.135 4.135 4.135 . 0 0 "[ ]" 1
623 1 57 GLU HB3 1 68 ILE MG . . 5.200 2.734 2.734 2.734 . 0 0 "[ ]" 1
624 1 57 GLU QG 1 58 ASP H . . 4.680 2.462 2.462 2.462 . 0 0 "[ ]" 1
625 1 57 GLU QG 1 68 ILE MG . . 6.980 3.972 3.972 3.972 . 0 0 "[ ]" 1
626 1 58 ASP H 1 58 ASP HA . . 2.900 2.904 2.904 2.904 0.004 1 0 "[ ]" 1
627 1 58 ASP H 1 58 ASP HB2 . . 2.600 2.628 2.628 2.628 0.028 1 0 "[ ]" 1
628 1 58 ASP H 1 58 ASP HB3 . . 3.100 2.470 2.470 2.470 . 0 0 "[ ]" 1
629 1 58 ASP H 1 59 PHE H . . 3.000 2.529 2.529 2.529 . 0 0 "[ ]" 1
630 1 58 ASP H 1 59 PHE QD . . 8.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
631 1 58 ASP H 1 60 VAL H . . 3.600 3.681 3.681 3.681 0.081 1 0 "[ ]" 1
632 1 58 ASP HA 1 58 ASP HB2 . . 3.000 2.463 2.463 2.463 . 0 0 "[ ]" 1
633 1 58 ASP HB2 1 59 PHE H . . 4.300 3.780 3.780 3.780 . 0 0 "[ ]" 1
634 1 58 ASP HB2 1 59 PHE QD . . 8.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
635 1 58 ASP HB3 1 59 PHE H . . 4.800 2.400 2.400 2.400 . 0 0 "[ ]" 1
636 1 58 ASP HB3 1 59 PHE QD . . 8.000 2.754 2.754 2.754 . 0 0 "[ ]" 1
637 1 59 PHE H 1 59 PHE HB2 . . 3.200 2.276 2.276 2.276 . 0 0 "[ ]" 1
638 1 59 PHE H 1 59 PHE HB3 . . 3.200 3.375 3.375 3.375 0.175 1 0 "[ ]" 1
639 1 59 PHE H 1 60 VAL H . . 2.400 2.453 2.453 2.453 0.053 1 0 "[ ]" 1
640 1 59 PHE H 1 60 VAL HB . . 4.500 4.339 4.339 4.339 . 0 0 "[ ]" 1
641 1 59 PHE H 1 60 VAL MG2 . . 6.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
642 1 59 PHE HA 1 59 PHE HB2 . . 3.000 3.042 3.042 3.042 0.042 1 0 "[ ]" 1
643 1 59 PHE HB3 1 60 VAL H . . 6.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
644 1 59 PHE HB3 1 60 VAL HA . . 4.900 4.457 4.457 4.457 . 0 0 "[ ]" 1
645 1 59 PHE HB3 1 60 VAL MG2 . . 5.400 4.520 4.520 4.520 . 0 0 "[ ]" 1
646 1 60 VAL H 1 60 VAL HB . . 2.400 2.219 2.219 2.219 . 0 0 "[ ]" 1
647 1 60 VAL H 1 60 VAL MG2 . . 3.400 2.530 2.530 2.530 . 0 0 "[ ]" 1
648 1 60 VAL H 1 61 PRO HD3 . . 6.000 4.766 4.766 4.766 . 0 0 "[ ]" 1
649 1 60 VAL HA 1 60 VAL MG1 . . 3.400 2.670 2.670 2.670 . 0 0 "[ ]" 1
650 1 60 VAL HA 1 60 VAL MG2 . . 3.400 2.030 2.030 2.030 . 0 0 "[ ]" 1
651 1 60 VAL HA 1 61 PRO HD2 . . 2.800 2.285 2.285 2.285 . 0 0 "[ ]" 1
652 1 60 VAL HA 1 61 PRO HD3 . . 2.400 2.290 2.290 2.290 . 0 0 "[ ]" 1
653 1 60 VAL HA 1 64 TRP QB . . 4.780 4.093 4.093 4.093 . 0 0 "[ ]" 1
654 1 60 VAL HB 1 61 PRO HD2 . . 6.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
655 1 60 VAL HB 1 65 LYS HA . . 6.000 4.279 4.279 4.279 . 0 0 "[ ]" 1
656 1 60 VAL HB 1 68 ILE QG . . 4.780 2.734 2.734 2.734 . 0 0 "[ ]" 1
657 1 60 VAL MG1 1 61 PRO HD2 . . 7.000 2.331 2.331 2.331 . 0 0 "[ ]" 1
658 1 60 VAL MG1 1 61 PRO HD3 . . 5.200 3.662 3.662 3.662 . 0 0 "[ ]" 1
659 1 60 VAL MG1 1 64 TRP HB2 . . 6.400 2.210 2.210 2.210 . 0 0 "[ ]" 1
660 1 60 VAL MG1 1 64 TRP QB . . 6.190 2.131 2.131 2.131 . 0 0 "[ ]" 1
661 1 60 VAL MG1 1 64 TRP HB3 . . 6.400 2.794 2.794 2.794 . 0 0 "[ ]" 1
662 1 60 VAL MG1 1 65 LYS QE . . 6.800 3.554 3.554 3.554 . 0 0 "[ ]" 1
663 1 60 VAL MG1 1 65 LYS QG . . 8.000 2.133 2.133 2.133 . 0 0 "[ ]" 1
664 1 60 VAL MG1 1 67 TYR H . . 7.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
665 1 60 VAL MG1 1 68 ILE MD . . 8.000 2.047 2.047 2.047 . 0 0 "[ ]" 1
666 1 60 VAL MG2 1 61 PRO HD2 . . 3.400 2.891 2.891 2.891 . 0 0 "[ ]" 1
667 1 60 VAL MG2 1 61 PRO HD3 . . 4.400 3.670 3.670 3.670 . 0 0 "[ ]" 1
668 1 60 VAL MG2 1 64 TRP H . . 6.700 5.419 5.419 5.419 . 0 0 "[ ]" 1
669 1 60 VAL MG2 1 64 TRP HA . . 6.700 5.621 5.621 5.621 . 0 0 "[ ]" 1
670 1 60 VAL MG2 1 64 TRP QB . . 4.480 3.356 3.356 3.356 . 0 0 "[ ]" 1
671 1 60 VAL MG2 1 64 TRP HE3 . . 5.400 4.016 4.016 4.016 . 0 0 "[ ]" 1
672 1 60 VAL MG2 1 65 LYS HA . . 6.500 4.659 4.659 4.659 . 0 0 "[ ]" 1
673 1 60 VAL MG2 1 67 TYR QD . . 9.000 5.188 5.188 5.188 . 0 0 "[ ]" 1
674 1 60 VAL MG2 1 68 ILE QG . . 5.080 2.581 2.581 2.581 . 0 0 "[ ]" 1
675 1 61 PRO HA 1 62 GLU H . . 2.800 2.358 2.358 2.358 . 0 0 "[ ]" 1
676 1 61 PRO QB 1 62 GLU H . . 3.700 3.089 3.089 3.089 . 0 0 "[ ]" 1
677 1 61 PRO QB 1 63 GLU H . . 3.730 2.760 2.760 2.760 . 0 0 "[ ]" 1
678 1 61 PRO QB 1 63 GLU QB . . 5.950 2.568 2.568 2.568 . 0 0 "[ ]" 1
679 1 61 PRO QB 1 64 TRP QB . . 6.820 3.926 3.926 3.926 . 0 0 "[ ]" 1
680 1 61 PRO QB 1 64 TRP HE3 . . 5.680 4.614 4.614 4.614 . 0 0 "[ ]" 1
681 1 61 PRO HB2 1 62 GLU H . . 3.900 3.309 3.309 3.309 . 0 0 "[ ]" 1
682 1 61 PRO HB2 1 63 GLU H . . 4.300 2.793 2.793 2.793 . 0 0 "[ ]" 1
683 1 61 PRO HB2 1 64 TRP HB2 . . 7.750 4.176 4.176 4.176 . 0 0 "[ ]" 1
684 1 61 PRO HB2 1 64 TRP HB3 . . 7.750 5.875 5.875 5.875 . 0 0 "[ ]" 1
685 1 61 PRO HB3 1 62 GLU H . . 3.900 3.701 3.701 3.701 . 0 0 "[ ]" 1
686 1 61 PRO HB3 1 63 GLU H . . 4.300 4.300 4.300 4.300 . 0 0 "[ ]" 1
687 1 61 PRO HB3 1 64 TRP HB2 . . 7.750 5.190 5.190 5.190 . 0 0 "[ ]" 1
688 1 61 PRO HB3 1 64 TRP HB3 . . 7.750 6.927 6.927 6.927 . 0 0 "[ ]" 1
689 1 61 PRO HD2 1 64 TRP QB . . 6.680 2.408 2.408 2.408 . 0 0 "[ ]" 1
690 1 61 PRO HD2 1 64 TRP HD1 . . 6.000 6.054 6.054 6.054 0.054 1 0 "[ ]" 1
691 1 61 PRO HD2 1 64 TRP HE3 . . 3.100 2.602 2.602 2.602 . 0 0 "[ ]" 1
692 1 61 PRO HD3 1 64 TRP QB . . 5.380 4.052 4.052 4.052 . 0 0 "[ ]" 1
693 1 61 PRO HD3 1 64 TRP HE3 . . 5.000 3.649 3.649 3.649 . 0 0 "[ ]" 1
694 1 61 PRO QG 1 64 TRP H . . 6.880 3.172 3.172 3.172 . 0 0 "[ ]" 1
695 1 61 PRO QG 1 64 TRP QB . . 7.750 2.610 2.610 2.610 . 0 0 "[ ]" 1
696 1 61 PRO QG 1 64 TRP HE3 . . 5.740 2.607 2.607 2.607 . 0 0 "[ ]" 1
697 1 61 PRO QG 1 64 TRP HZ3 . . 4.780 3.594 3.594 3.594 . 0 0 "[ ]" 1
698 1 61 PRO HG2 1 64 TRP HE3 . . 6.000 2.710 2.710 2.710 . 0 0 "[ ]" 1
699 1 61 PRO HG3 1 64 TRP HE3 . . 6.000 3.387 3.387 3.387 . 0 0 "[ ]" 1
700 1 61 PRO O 1 64 TRP H . . 2.400 1.838 1.838 1.838 . 0 0 "[ ]" 1
701 1 61 PRO O 1 64 TRP N . . 3.300 2.681 2.681 2.681 . 0 0 "[ ]" 1
702 1 62 GLU H 1 62 GLU HA . . 2.700 2.665 2.665 2.665 . 0 0 "[ ]" 1
703 1 62 GLU H 1 62 GLU HB2 . . 3.000 2.051 2.051 2.051 . 0 0 "[ ]" 1
704 1 62 GLU H 1 62 GLU HB3 . . 3.000 3.262 3.262 3.262 0.262 1 0 "[ ]" 1
705 1 62 GLU H 1 62 GLU HG2 . . 5.100 3.474 3.474 3.474 . 0 0 "[ ]" 1
706 1 62 GLU H 1 62 GLU QG . . 4.870 3.112 3.112 3.112 . 0 0 "[ ]" 1
707 1 62 GLU H 1 62 GLU HG3 . . 5.100 3.513 3.513 3.513 . 0 0 "[ ]" 1
708 1 62 GLU H 1 63 GLU H . . 3.100 2.912 2.912 2.912 . 0 0 "[ ]" 1
709 1 62 GLU H 1 65 LYS QG . . 7.000 3.708 3.708 3.708 . 0 0 "[ ]" 1
710 1 62 GLU HA 1 65 LYS H . . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 1
711 1 62 GLU HA 1 65 LYS QD . . 5.500 2.355 2.355 2.355 . 0 0 "[ ]" 1
712 1 62 GLU HA 1 65 LYS QE . . 5.300 4.250 4.250 4.250 . 0 0 "[ ]" 1
713 1 62 GLU HA 1 65 LYS QG . . 7.000 2.264 2.264 2.264 . 0 0 "[ ]" 1
714 1 62 GLU HB2 1 62 GLU QG . . 2.650 2.355 2.355 2.355 . 0 0 "[ ]" 1
715 1 62 GLU HB2 1 63 GLU H . . 4.100 2.584 2.584 2.584 . 0 0 "[ ]" 1
716 1 62 GLU HB2 1 65 LYS QD . . 7.000 4.732 4.732 4.732 . 0 0 "[ ]" 1
717 1 62 GLU HB3 1 63 GLU H . . 3.100 3.122 3.122 3.122 0.022 1 0 "[ ]" 1
718 1 62 GLU HB3 1 65 LYS QG . . 7.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
719 1 62 GLU QG 1 63 GLU H . . 6.880 4.408 4.408 4.408 . 0 0 "[ ]" 1
720 1 62 GLU QG 1 65 LYS HB2 . . 4.580 4.092 4.092 4.092 . 0 0 "[ ]" 1
721 1 62 GLU QG 1 65 LYS HB3 . . 6.880 5.093 5.093 5.093 . 0 0 "[ ]" 1
722 1 62 GLU HG2 1 65 LYS QD . . 7.000 4.173 4.173 4.173 . 0 0 "[ ]" 1
723 1 62 GLU HG3 1 65 LYS QD . . 7.000 2.621 2.621 2.621 . 0 0 "[ ]" 1
724 1 63 GLU H 1 63 GLU HA . . 2.800 2.740 2.740 2.740 . 0 0 "[ ]" 1
725 1 63 GLU H 1 63 GLU HB2 . . 3.000 2.321 2.321 2.321 . 0 0 "[ ]" 1
726 1 63 GLU H 1 63 GLU QB . . 2.620 2.175 2.175 2.175 . 0 0 "[ ]" 1
727 1 63 GLU H 1 63 GLU HB3 . . 3.000 2.627 2.627 2.627 . 0 0 "[ ]" 1
728 1 63 GLU H 1 64 TRP H . . 3.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
729 1 63 GLU HA 1 63 GLU QB . . 2.600 2.356 2.356 2.356 . 0 0 "[ ]" 1
730 1 63 GLU QB 1 64 TRP H . . 4.550 2.583 2.583 2.583 . 0 0 "[ ]" 1
731 1 63 GLU QB 1 64 TRP HE3 . . 6.880 5.081 5.081 5.081 . 0 0 "[ ]" 1
732 1 63 GLU HB2 1 64 TRP H . . 5.400 3.872 3.872 3.872 . 0 0 "[ ]" 1
733 1 63 GLU HB3 1 64 TRP H . . 5.400 2.623 2.623 2.623 . 0 0 "[ ]" 1
734 1 63 GLU QG 1 64 TRP HD1 . . 7.000 2.652 2.652 2.652 . 0 0 "[ ]" 1
735 1 63 GLU QG 1 64 TRP HE1 . . 7.000 2.564 2.564 2.564 . 0 0 "[ ]" 1
736 1 63 GLU QG 1 64 TRP HH2 . . 7.000 6.246 6.246 6.246 . 0 0 "[ ]" 1
737 1 64 TRP H 1 64 TRP HB2 . . 3.700 2.451 2.451 2.451 . 0 0 "[ ]" 1
738 1 64 TRP H 1 64 TRP QB . . 3.440 2.416 2.416 2.416 . 0 0 "[ ]" 1
739 1 64 TRP H 1 64 TRP HB3 . . 3.700 3.662 3.662 3.662 . 0 0 "[ ]" 1
740 1 64 TRP H 1 65 LYS H . . 2.700 2.304 2.304 2.304 . 0 0 "[ ]" 1
741 1 64 TRP HA 1 64 TRP HD1 . . 2.900 2.154 2.154 2.154 . 0 0 "[ ]" 1
742 1 64 TRP HA 1 64 TRP HE1 . . 6.000 4.636 4.636 4.636 . 0 0 "[ ]" 1
743 1 64 TRP HA 1 65 LYS H . . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 1
744 1 64 TRP HA 1 66 SER H . . 3.700 3.070 3.070 3.070 . 0 0 "[ ]" 1
745 1 64 TRP HA 1 67 TYR H . . 4.000 2.594 2.594 2.594 . 0 0 "[ ]" 1
746 1 64 TRP HA 1 67 TYR QD . . 5.400 2.998 2.998 2.998 . 0 0 "[ ]" 1
747 1 64 TRP HA 1 67 TYR QE . . 7.100 4.190 4.190 4.190 . 0 0 "[ ]" 1
748 1 64 TRP QB 1 65 LYS H . . 5.180 3.496 3.496 3.496 . 0 0 "[ ]" 1
749 1 64 TRP QB 1 67 TYR H . . 5.680 3.866 3.866 3.866 . 0 0 "[ ]" 1
750 1 64 TRP QB 1 67 TYR QD . . 5.980 2.208 2.208 2.208 . 0 0 "[ ]" 1
751 1 64 TRP HB2 1 67 TYR QD . . 6.700 3.850 3.850 3.850 . 0 0 "[ ]" 1
752 1 64 TRP HB2 1 67 TYR QE . . 8.000 5.218 5.218 5.218 . 0 0 "[ ]" 1
753 1 64 TRP HB3 1 67 TYR QD . . 6.700 2.222 2.222 2.222 . 0 0 "[ ]" 1
754 1 64 TRP HB3 1 67 TYR QE . . 8.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
755 1 64 TRP HD1 1 67 TYR QD . . 6.900 3.240 3.240 3.240 . 0 0 "[ ]" 1
756 1 64 TRP HD1 1 67 TYR QE . . 5.700 3.015 3.015 3.015 . 0 0 "[ ]" 1
757 1 64 TRP HE1 1 67 TYR QD . . 8.000 4.786 4.786 4.786 . 0 0 "[ ]" 1
758 1 64 TRP HE1 1 67 TYR QE . . 8.000 3.306 3.306 3.306 . 0 0 "[ ]" 1
759 1 65 LYS H 1 65 LYS HB2 . . 2.700 2.453 2.453 2.453 . 0 0 "[ ]" 1
760 1 65 LYS H 1 65 LYS HB3 . . 4.200 3.626 3.626 3.626 . 0 0 "[ ]" 1
761 1 65 LYS H 1 65 LYS QG . . 5.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
762 1 65 LYS H 1 66 SER H . . 3.500 2.649 2.649 2.649 . 0 0 "[ ]" 1
763 1 65 LYS HA 1 65 LYS QD . . 5.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
764 1 65 LYS HA 1 65 LYS QE . . 4.300 3.991 3.991 3.991 . 0 0 "[ ]" 1
765 1 65 LYS HA 1 68 ILE H . . 3.600 3.090 3.090 3.090 . 0 0 "[ ]" 1
766 1 65 LYS HA 1 68 ILE HB . . 3.700 2.242 2.242 2.242 . 0 0 "[ ]" 1
767 1 65 LYS HA 1 68 ILE MD . . 7.000 3.485 3.485 3.485 . 0 0 "[ ]" 1
768 1 65 LYS HA 1 68 ILE QG . . 4.880 3.019 3.019 3.019 . 0 0 "[ ]" 1
769 1 65 LYS HB2 1 65 LYS QD . . 3.800 2.675 2.675 2.675 . 0 0 "[ ]" 1
770 1 65 LYS HB2 1 66 SER H . . 4.200 3.207 3.207 3.207 . 0 0 "[ ]" 1
771 1 65 LYS HB3 1 65 LYS QD . . 3.700 2.287 2.287 2.287 . 0 0 "[ ]" 1
772 1 65 LYS HB3 1 68 ILE QG . . 6.280 5.000 5.000 5.000 . 0 0 "[ ]" 1
773 1 65 LYS QD 1 68 ILE MG . . 7.600 4.791 4.791 4.791 . 0 0 "[ ]" 1
774 1 65 LYS QE 1 68 ILE MD . . 8.000 5.713 5.713 5.713 . 0 0 "[ ]" 1
775 1 65 LYS QE 1 68 ILE QG . . 7.680 4.538 4.538 4.538 . 0 0 "[ ]" 1
776 1 65 LYS QE 1 68 ILE MG . . 6.700 4.302 4.302 4.302 . 0 0 "[ ]" 1
777 1 65 LYS QG 1 68 ILE HB . . 7.000 3.647 3.647 3.647 . 0 0 "[ ]" 1
778 1 65 LYS QG 1 68 ILE MD . . 7.300 4.421 4.421 4.421 . 0 0 "[ ]" 1
779 1 65 LYS QG 1 68 ILE QG . . 7.880 3.559 3.559 3.559 . 0 0 "[ ]" 1
780 1 66 SER H 1 66 SER HA . . 2.800 2.820 2.820 2.820 0.020 1 0 "[ ]" 1
781 1 66 SER H 1 66 SER QB . . 3.720 2.521 2.521 2.521 . 0 0 "[ ]" 1
782 1 66 SER H 1 67 TYR H . . 3.400 2.844 2.844 2.844 . 0 0 "[ ]" 1
783 1 66 SER HA 1 69 GLN QB . . 4.480 2.761 2.761 2.761 . 0 0 "[ ]" 1
784 1 66 SER O 1 70 LYS H . . 2.400 1.838 1.838 1.838 . 0 0 "[ ]" 1
785 1 66 SER O 1 70 LYS N . . 3.300 2.802 2.802 2.802 . 0 0 "[ ]" 1
786 1 67 TYR H 1 67 TYR HB2 . . 2.600 2.478 2.478 2.478 . 0 0 "[ ]" 1
787 1 67 TYR H 1 67 TYR QE . . 6.800 4.783 4.783 4.783 . 0 0 "[ ]" 1
788 1 67 TYR H 1 68 ILE H . . 2.900 2.862 2.862 2.862 . 0 0 "[ ]" 1
789 1 67 TYR HA 1 67 TYR HB3 . . 2.700 2.602 2.602 2.602 . 0 0 "[ ]" 1
790 1 67 TYR HA 1 70 LYS H . . 4.000 3.034 3.034 3.034 . 0 0 "[ ]" 1
791 1 67 TYR HA 1 70 LYS HB2 . . 2.400 2.478 2.478 2.478 0.078 1 0 "[ ]" 1
792 1 67 TYR HA 1 70 LYS HB3 . . 2.400 2.408 2.408 2.408 0.008 1 0 "[ ]" 1
793 1 67 TYR HA 1 70 LYS QD . . 7.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
794 1 67 TYR HA 1 70 LYS HG2 . . 6.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
795 1 67 TYR HA 1 70 LYS HG3 . . 6.000 4.774 4.774 4.774 . 0 0 "[ ]" 1
796 1 67 TYR HA 1 71 ASN H . . 3.800 3.805 3.805 3.805 0.005 1 0 "[ ]" 1
797 1 67 TYR HB2 1 68 ILE H . . 4.500 2.667 2.667 2.667 . 0 0 "[ ]" 1
798 1 67 TYR HB3 1 68 ILE HA . . 3.800 3.935 3.935 3.935 0.135 1 0 "[ ]" 1
799 1 67 TYR HB3 1 71 ASN H . . 4.300 4.254 4.254 4.254 . 0 0 "[ ]" 1
800 1 67 TYR HB3 1 71 ASN QD . . 6.300 2.699 2.699 2.699 . 0 0 "[ ]" 1
801 1 67 TYR QD 1 70 LYS HB2 . . 8.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
802 1 67 TYR QD 1 70 LYS HB3 . . 8.000 3.316 3.316 3.316 . 0 0 "[ ]" 1
803 1 67 TYR QD 1 70 LYS HG2 . . 8.000 4.769 4.769 4.769 . 0 0 "[ ]" 1
804 1 67 TYR QD 1 70 LYS HG3 . . 6.200 5.154 5.154 5.154 . 0 0 "[ ]" 1
805 1 67 TYR QD 1 71 ASN H . . 7.300 5.051 5.051 5.051 . 0 0 "[ ]" 1
806 1 67 TYR QD 1 71 ASN QD . . 8.200 3.918 3.918 3.918 . 0 0 "[ ]" 1
807 1 67 TYR QE 1 70 LYS QD . . 9.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
808 1 67 TYR QE 1 70 LYS HG3 . . 8.000 6.478 6.478 6.478 . 0 0 "[ ]" 1
809 1 67 TYR O 1 71 ASN H . . 2.400 1.764 1.764 1.764 . 0 0 "[ ]" 1
810 1 67 TYR O 1 71 ASN N . . 3.300 2.756 2.756 2.756 . 0 0 "[ ]" 1
811 1 68 ILE H 1 68 ILE HA . . 2.900 2.779 2.779 2.779 . 0 0 "[ ]" 1
812 1 68 ILE H 1 68 ILE HB . . 2.500 2.136 2.136 2.136 . 0 0 "[ ]" 1
813 1 68 ILE H 1 68 ILE MD . . 3.900 2.098 2.098 2.098 . 0 0 "[ ]" 1
814 1 68 ILE H 1 68 ILE HG12 . . 4.000 3.405 3.405 3.405 . 0 0 "[ ]" 1
815 1 68 ILE H 1 68 ILE QG . . 3.510 3.208 3.208 3.208 . 0 0 "[ ]" 1
816 1 68 ILE H 1 68 ILE HG13 . . 4.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
817 1 68 ILE H 1 68 ILE MG . . 4.300 3.619 3.619 3.619 . 0 0 "[ ]" 1
818 1 68 ILE H 1 69 GLN H . . 3.000 2.808 2.808 2.808 . 0 0 "[ ]" 1
819 1 68 ILE H 1 70 LYS H . . 4.700 3.977 3.977 3.977 . 0 0 "[ ]" 1
820 1 68 ILE HA 1 68 ILE MD . . 3.400 2.072 2.072 2.072 . 0 0 "[ ]" 1
821 1 68 ILE HA 1 68 ILE HG12 . . 4.100 3.656 3.656 3.656 . 0 0 "[ ]" 1
822 1 68 ILE HA 1 68 ILE QG . . 3.620 2.709 2.709 2.709 . 0 0 "[ ]" 1
823 1 68 ILE HA 1 68 ILE HG13 . . 4.100 2.792 2.792 2.792 . 0 0 "[ ]" 1
824 1 68 ILE HA 1 68 ILE MG . . 3.400 2.746 2.746 2.746 . 0 0 "[ ]" 1
825 1 68 ILE HA 1 69 GLN H . . 3.600 3.587 3.587 3.587 . 0 0 "[ ]" 1
826 1 68 ILE HA 1 71 ASN H . . 4.500 3.259 3.259 3.259 . 0 0 "[ ]" 1
827 1 68 ILE HB 1 68 ILE MD . . 3.400 2.790 2.790 2.790 . 0 0 "[ ]" 1
828 1 68 ILE HB 1 69 GLN H . . 3.700 2.738 2.738 2.738 . 0 0 "[ ]" 1
829 1 68 ILE QG 1 69 GLN H . . 6.780 4.500 4.500 4.500 . 0 0 "[ ]" 1
830 1 68 ILE HG12 1 68 ILE MG . . 3.400 2.473 2.473 2.473 . 0 0 "[ ]" 1
831 1 68 ILE HG13 1 68 ILE MG . . 3.400 2.223 2.223 2.223 . 0 0 "[ ]" 1
832 1 68 ILE MG 1 69 GLN H . . 4.800 2.956 2.956 2.956 . 0 0 "[ ]" 1
833 1 68 ILE MG 1 72 ARG QD . . 6.280 2.984 2.984 2.984 . 0 0 "[ ]" 1
834 1 68 ILE O 1 72 ARG H . . 2.400 1.943 1.943 1.943 . 0 0 "[ ]" 1
835 1 68 ILE O 1 72 ARG N . . 3.300 2.925 2.925 2.925 . 0 0 "[ ]" 1
836 1 69 GLN H 1 69 GLN HB2 . . 3.400 2.195 2.195 2.195 . 0 0 "[ ]" 1
837 1 69 GLN H 1 69 GLN QB . . 2.900 2.173 2.173 2.173 . 0 0 "[ ]" 1
838 1 69 GLN H 1 69 GLN HB3 . . 3.400 3.483 3.483 3.483 0.083 1 0 "[ ]" 1
839 1 69 GLN H 1 69 GLN QE . . 4.570 2.817 2.817 2.817 . 0 0 "[ ]" 1
840 1 69 GLN H 1 69 GLN HG3 . . 4.800 2.615 2.615 2.615 . 0 0 "[ ]" 1
841 1 69 GLN H 1 70 LYS H . . 4.700 2.757 2.757 2.757 . 0 0 "[ ]" 1
842 1 69 GLN HA 1 69 GLN QE . . 4.970 4.303 4.303 4.303 . 0 0 "[ ]" 1
843 1 69 GLN HA 1 69 GLN HG2 . . 3.800 2.563 2.563 2.563 . 0 0 "[ ]" 1
844 1 69 GLN HA 1 69 GLN HG3 . . 4.100 2.522 2.522 2.522 . 0 0 "[ ]" 1
845 1 69 GLN HA 1 72 ARG H . . 4.000 3.392 3.392 3.392 . 0 0 "[ ]" 1
846 1 69 GLN HA 1 72 ARG HB2 . . 2.400 2.433 2.433 2.433 0.033 1 0 "[ ]" 1
847 1 69 GLN HA 1 72 ARG HB3 . . 3.700 3.550 3.550 3.550 . 0 0 "[ ]" 1
848 1 69 GLN HA 1 72 ARG HD2 . . 6.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
849 1 69 GLN HA 1 72 ARG QD . . 5.690 3.212 3.212 3.212 . 0 0 "[ ]" 1
850 1 69 GLN HA 1 72 ARG HD3 . . 6.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
851 1 69 GLN HA 1 76 LYS QE . . 7.000 4.798 4.798 4.798 . 0 0 "[ ]" 1
852 1 69 GLN QB 1 69 GLN QE . . 4.020 2.400 2.400 2.400 . 0 0 "[ ]" 1
853 1 69 GLN QB 1 69 GLN HG3 . . 2.750 2.470 2.470 2.470 . 0 0 "[ ]" 1
854 1 69 GLN QB 1 70 LYS H . . 3.250 2.734 2.734 2.734 . 0 0 "[ ]" 1
855 1 69 GLN HB2 1 69 GLN HE22 . . 5.250 3.578 3.578 3.578 . 0 0 "[ ]" 1
856 1 69 GLN HB2 1 69 GLN HG2 . . 3.000 3.021 3.021 3.021 0.021 1 0 "[ ]" 1
857 1 69 GLN HB2 1 70 LYS H . . 3.700 2.857 2.857 2.857 . 0 0 "[ ]" 1
858 1 69 GLN HB3 1 69 GLN HE22 . . 5.250 4.519 4.519 4.519 . 0 0 "[ ]" 1
859 1 69 GLN HB3 1 69 GLN HG2 . . 3.000 2.358 2.358 2.358 . 0 0 "[ ]" 1
860 1 69 GLN HB3 1 70 LYS H . . 3.700 3.487 3.487 3.487 . 0 0 "[ ]" 1
861 1 69 GLN QE 1 72 ARG QD . . 7.740 6.038 6.038 6.038 . 0 0 "[ ]" 1
862 1 69 GLN HG3 1 72 ARG HB2 . . 5.100 4.734 4.734 4.734 . 0 0 "[ ]" 1
863 1 69 GLN HG3 1 72 ARG HB3 . . 6.000 5.776 5.776 5.776 . 0 0 "[ ]" 1
864 1 69 GLN HG3 1 72 ARG QD . . 4.880 4.334 4.334 4.334 . 0 0 "[ ]" 1
865 1 69 GLN O 1 73 ASP H . . 2.400 1.761 1.761 1.761 . 0 0 "[ ]" 1
866 1 69 GLN O 1 73 ASP N . . 3.300 2.734 2.734 2.734 . 0 0 "[ ]" 1
867 1 70 LYS H 1 70 LYS HB2 . . 2.500 2.303 2.303 2.303 . 0 0 "[ ]" 1
868 1 70 LYS H 1 70 LYS HB3 . . 2.900 2.788 2.788 2.788 . 0 0 "[ ]" 1
869 1 70 LYS H 1 70 LYS HG3 . . 5.400 4.310 4.310 4.310 . 0 0 "[ ]" 1
870 1 70 LYS H 1 71 ASN H . . 3.300 3.013 3.013 3.013 . 0 0 "[ ]" 1
871 1 70 LYS HA 1 70 LYS HB2 . . 2.600 2.622 2.622 2.622 0.022 1 0 "[ ]" 1
872 1 70 LYS HA 1 70 LYS HB3 . . 3.000 3.041 3.041 3.041 0.041 1 0 "[ ]" 1
873 1 70 LYS HA 1 70 LYS HG2 . . 3.100 2.996 2.996 2.996 . 0 0 "[ ]" 1
874 1 70 LYS HA 1 70 LYS HG3 . . 4.200 2.447 2.447 2.447 . 0 0 "[ ]" 1
875 1 70 LYS HA 1 73 ASP H . . 3.000 3.104 3.104 3.104 0.104 1 0 "[ ]" 1
876 1 70 LYS HA 1 73 ASP HB2 . . 2.500 2.511 2.511 2.511 0.011 1 0 "[ ]" 1
877 1 70 LYS HA 1 73 ASP HB3 . . 3.700 2.943 2.943 2.943 . 0 0 "[ ]" 1
878 1 70 LYS HB2 1 70 LYS HG3 . . 2.800 2.538 2.538 2.538 . 0 0 "[ ]" 1
879 1 70 LYS HB2 1 71 ASN H . . 4.600 3.694 3.694 3.694 . 0 0 "[ ]" 1
880 1 70 LYS HB3 1 71 ASN H . . 2.900 2.403 2.403 2.403 . 0 0 "[ ]" 1
881 1 70 LYS QD 1 71 ASN H . . 6.700 4.464 4.464 4.464 . 0 0 "[ ]" 1
882 1 70 LYS QD 1 71 ASN HA . . 7.000 5.486 5.486 5.486 . 0 0 "[ ]" 1
883 1 70 LYS QD 1 74 PHE QD . . 9.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
884 1 70 LYS QD 1 74 PHE QE . . 9.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
885 1 70 LYS QD 1 74 PHE HZ . . 7.000 5.383 5.383 5.383 . 0 0 "[ ]" 1
886 1 70 LYS HG2 1 71 ASN H . . 6.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
887 1 70 LYS HG2 1 71 ASN HA . . 5.800 4.196 4.196 4.196 . 0 0 "[ ]" 1
888 1 70 LYS HG2 1 74 PHE HZ . . 5.300 4.832 4.832 4.832 . 0 0 "[ ]" 1
889 1 70 LYS HG3 1 71 ASN H . . 6.000 4.795 4.795 4.795 . 0 0 "[ ]" 1
890 1 70 LYS HG3 1 74 PHE HZ . . 6.000 5.778 5.778 5.778 . 0 0 "[ ]" 1
891 1 70 LYS O 1 74 PHE H . . 2.400 1.814 1.814 1.814 . 0 0 "[ ]" 1
892 1 70 LYS O 1 74 PHE N . . 3.300 2.805 2.805 2.805 . 0 0 "[ ]" 1
893 1 71 ASN H 1 71 ASN HA . . 2.900 2.798 2.798 2.798 . 0 0 "[ ]" 1
894 1 71 ASN H 1 71 ASN HB2 . . 2.400 2.274 2.274 2.274 . 0 0 "[ ]" 1
895 1 71 ASN H 1 71 ASN HB3 . . 3.500 3.510 3.510 3.510 0.010 1 0 "[ ]" 1
896 1 71 ASN H 1 71 ASN QD . . 3.400 1.848 1.848 1.848 . 0 0 "[ ]" 1
897 1 71 ASN H 1 72 ARG H . . 3.100 2.888 2.888 2.888 . 0 0 "[ ]" 1
898 1 71 ASN HA 1 71 ASN HB2 . . 3.000 3.059 3.059 3.059 0.059 1 0 "[ ]" 1
899 1 71 ASN HA 1 71 ASN HB3 . . 2.800 2.653 2.653 2.653 . 0 0 "[ ]" 1
900 1 71 ASN HA 1 74 PHE H . . 3.500 3.619 3.619 3.619 0.119 1 0 "[ ]" 1
901 1 71 ASN HA 1 74 PHE HB2 . . 3.900 2.539 2.539 2.539 . 0 0 "[ ]" 1
902 1 71 ASN HA 1 74 PHE QB . . 3.600 2.510 2.510 2.510 . 0 0 "[ ]" 1
903 1 71 ASN HA 1 74 PHE HB3 . . 3.900 3.945 3.945 3.945 0.045 1 0 "[ ]" 1
904 1 71 ASN HA 1 75 PHE QE . . 8.000 3.257 3.257 3.257 . 0 0 "[ ]" 1
905 1 71 ASN HB2 1 72 ARG H . . 3.200 2.640 2.640 2.640 . 0 0 "[ ]" 1
906 1 71 ASN HB3 1 72 ARG H . . 4.300 3.375 3.375 3.375 . 0 0 "[ ]" 1
907 1 72 ARG H 1 72 ARG HB2 . . 2.500 2.101 2.101 2.101 . 0 0 "[ ]" 1
908 1 72 ARG H 1 72 ARG HB3 . . 3.300 3.333 3.333 3.333 0.033 1 0 "[ ]" 1
909 1 72 ARG H 1 72 ARG HG3 . . 5.200 3.718 3.718 3.718 . 0 0 "[ ]" 1
910 1 72 ARG H 1 73 ASP H . . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
911 1 72 ARG HA 1 72 ARG HB3 . . 2.900 2.881 2.881 2.881 . 0 0 "[ ]" 1
912 1 72 ARG HA 1 72 ARG HG3 . . 3.900 2.075 2.075 2.075 . 0 0 "[ ]" 1
913 1 72 ARG HA 1 75 PHE QB . . 5.180 3.952 3.952 3.952 . 0 0 "[ ]" 1
914 1 72 ARG HA 1 75 PHE QD . . 7.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
915 1 72 ARG HB2 1 72 ARG HE . . 5.200 4.430 4.430 4.430 . 0 0 "[ ]" 1
916 1 72 ARG HB2 1 73 ASP H . . 4.200 3.029 3.029 3.029 . 0 0 "[ ]" 1
917 1 72 ARG HB2 1 75 PHE QD . . 8.000 6.277 6.277 6.277 . 0 0 "[ ]" 1
918 1 72 ARG HB2 1 76 LYS QE . . 7.000 4.144 4.144 4.144 . 0 0 "[ ]" 1
919 1 72 ARG HB3 1 72 ARG HE . . 5.100 4.611 4.611 4.611 . 0 0 "[ ]" 1
920 1 72 ARG HB3 1 72 ARG HG2 . . 2.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
921 1 72 ARG HB3 1 73 ASP H . . 3.000 2.814 2.814 2.814 . 0 0 "[ ]" 1
922 1 72 ARG HB3 1 76 LYS QD . . 5.500 2.874 2.874 2.874 . 0 0 "[ ]" 1
923 1 72 ARG HG2 1 73 ASP H . . 6.000 4.933 4.933 4.933 . 0 0 "[ ]" 1
924 1 72 ARG HG2 1 76 LYS QD . . 7.000 2.942 2.942 2.942 . 0 0 "[ ]" 1
925 1 72 ARG HG3 1 73 ASP H . . 6.000 4.931 4.931 4.931 . 0 0 "[ ]" 1
926 1 72 ARG HG3 1 76 LYS QE . . 7.000 5.175 5.175 5.175 . 0 0 "[ ]" 1
927 1 72 ARG O 1 75 PHE H . . 2.400 1.948 1.948 1.948 . 0 0 "[ ]" 1
928 1 72 ARG O 1 75 PHE N . . 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 1
929 1 73 ASP H 1 73 ASP HB2 . . 2.800 2.054 2.054 2.054 . 0 0 "[ ]" 1
930 1 73 ASP H 1 73 ASP HB3 . . 3.000 3.006 3.006 3.006 0.006 1 0 "[ ]" 1
931 1 73 ASP H 1 74 PHE H . . 2.900 2.705 2.705 2.705 . 0 0 "[ ]" 1
932 1 73 ASP H 1 74 PHE QB . . 6.680 4.265 4.265 4.265 . 0 0 "[ ]" 1
933 1 73 ASP HA 1 73 ASP HB2 . . 2.700 2.728 2.728 2.728 0.028 1 0 "[ ]" 1
934 1 73 ASP HA 1 76 LYS H . . 4.200 3.123 3.123 3.123 . 0 0 "[ ]" 1
935 1 73 ASP HA 1 76 LYS HB2 . . 3.800 2.826 2.826 2.826 . 0 0 "[ ]" 1
936 1 73 ASP HA 1 76 LYS HB3 . . 5.000 2.172 2.172 2.172 . 0 0 "[ ]" 1
937 1 73 ASP HA 1 76 LYS QD . . 7.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
938 1 73 ASP HA 1 76 LYS QG . . 6.800 4.170 4.170 4.170 . 0 0 "[ ]" 1
939 1 73 ASP HB2 1 74 PHE H . . 3.300 3.380 3.380 3.380 0.080 1 0 "[ ]" 1
940 1 73 ASP HB3 1 74 PHE H . . 3.400 2.660 2.660 2.660 . 0 0 "[ ]" 1
941 1 74 PHE H 1 74 PHE HB2 . . 3.400 2.120 2.120 2.120 . 0 0 "[ ]" 1
942 1 74 PHE H 1 74 PHE QB . . 2.900 2.100 2.100 2.100 . 0 0 "[ ]" 1
943 1 74 PHE H 1 74 PHE HB3 . . 3.400 3.416 3.416 3.416 0.016 1 0 "[ ]" 1
944 1 74 PHE H 1 74 PHE QE . . 6.900 4.907 4.907 4.907 . 0 0 "[ ]" 1
945 1 74 PHE H 1 75 PHE H . . 2.900 2.952 2.952 2.952 0.052 1 0 "[ ]" 1
946 1 74 PHE QB 1 75 PHE H . . 3.180 2.704 2.704 2.704 . 0 0 "[ ]" 1
947 1 74 PHE HB2 1 75 PHE H . . 3.400 2.938 2.938 2.938 . 0 0 "[ ]" 1
948 1 74 PHE HB2 1 75 PHE QD . . 8.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
949 1 74 PHE HB3 1 75 PHE H . . 3.400 3.161 3.161 3.161 . 0 0 "[ ]" 1
950 1 74 PHE HB3 1 75 PHE QD . . 8.000 3.476 3.476 3.476 . 0 0 "[ ]" 1
951 1 74 PHE QD 1 75 PHE QD . . 10.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
952 1 74 PHE QD 1 75 PHE QE . . 9.500 3.356 3.356 3.356 . 0 0 "[ ]" 1
953 1 74 PHE QD 1 75 PHE HZ . . 7.600 2.544 2.544 2.544 . 0 0 "[ ]" 1
954 1 74 PHE QD 1 76 LYS QE . . 9.000 6.878 6.878 6.878 . 0 0 "[ ]" 1
955 1 74 PHE QE 1 75 PHE QE . . 10.000 5.024 5.024 5.024 . 0 0 "[ ]" 1
956 1 75 PHE H 1 75 PHE HB2 . . 3.600 2.628 2.628 2.628 . 0 0 "[ ]" 1
957 1 75 PHE H 1 75 PHE QB . . 3.290 2.575 2.575 2.575 . 0 0 "[ ]" 1
958 1 75 PHE H 1 75 PHE HB3 . . 3.600 3.698 3.698 3.698 0.098 1 0 "[ ]" 1
959 1 75 PHE H 1 76 LYS H . . 2.800 2.087 2.087 2.087 . 0 0 "[ ]" 1
960 1 75 PHE H 1 76 LYS HB2 . . 4.500 3.927 3.927 3.927 . 0 0 "[ ]" 1
961 1 75 PHE HA 1 75 PHE QB . . 2.710 2.309 2.309 2.309 . 0 0 "[ ]" 1
962 1 75 PHE HA 1 76 LYS H . . 3.100 3.230 3.230 3.230 0.130 1 0 "[ ]" 1
963 1 76 LYS H 1 76 LYS HB2 . . 3.200 2.435 2.435 2.435 . 0 0 "[ ]" 1
964 1 76 LYS H 1 76 LYS HB3 . . 3.000 2.720 2.720 2.720 . 0 0 "[ ]" 1
965 1 76 LYS H 1 77 LYS H . . 4.400 4.213 4.213 4.213 . 0 0 "[ ]" 1
966 1 76 LYS HA 1 76 LYS HB2 . . 2.800 2.642 2.642 2.642 . 0 0 "[ ]" 1
967 1 76 LYS HA 1 76 LYS HG2 . . 3.900 2.943 2.943 2.943 . 0 0 "[ ]" 1
968 1 76 LYS HA 1 76 LYS QG . . 3.650 2.403 2.403 2.403 . 0 0 "[ ]" 1
969 1 76 LYS HA 1 76 LYS HG3 . . 3.900 2.548 2.548 2.548 . 0 0 "[ ]" 1
970 1 76 LYS HA 1 77 LYS H . . 3.600 3.053 3.053 3.053 . 0 0 "[ ]" 1
971 1 76 LYS HB3 1 77 LYS H . . 5.300 2.146 2.146 2.146 . 0 0 "[ ]" 1
972 1 76 LYS HB3 1 77 LYS QG . . 4.600 4.210 4.210 4.210 . 0 0 "[ ]" 1
973 1 76 LYS QD 1 77 LYS H . . 7.000 3.614 3.614 3.614 . 0 0 "[ ]" 1
974 1 76 LYS QG 1 77 LYS H . . 7.000 1.816 1.816 1.816 . 0 0 "[ ]" 1
975 1 76 LYS QG 1 77 LYS HB2 . . 7.000 2.942 2.942 2.942 . 0 0 "[ ]" 1
976 1 76 LYS QG 1 77 LYS QB . . 6.510 2.902 2.902 2.902 . 0 0 "[ ]" 1
977 1 76 LYS QG 1 77 LYS HB3 . . 7.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
978 1 77 LYS H 1 77 LYS HB2 . . 3.500 2.608 2.608 2.608 . 0 0 "[ ]" 1
979 1 77 LYS H 1 77 LYS QB . . 3.290 2.554 2.554 2.554 . 0 0 "[ ]" 1
980 1 77 LYS H 1 77 LYS HB3 . . 3.500 3.647 3.647 3.647 0.147 1 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 9:46:39 AM GMT (wattos1)