NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369909 |
1bhu   |
4217 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bhu
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 1394
_Distance_constraint_stats_list.Viol_count 161
_Distance_constraint_stats_list.Viol_total 20.940
_Distance_constraint_stats_list.Viol_max 0.450
_Distance_constraint_stats_list.Viol_rms 0.0559
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.1301
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ ]"
1 2 PRO 0.000 0.000 . 0 "[ ]"
1 3 SER 0.000 0.000 . 0 "[ ]"
1 4 CYS 0.547 0.339 1 0 "[ ]"
1 5 PRO 0.068 0.068 1 0 "[ ]"
1 6 ALA 0.068 0.068 1 0 "[ ]"
1 7 GLY 0.447 0.203 1 0 "[ ]"
1 8 SER 0.914 0.339 1 0 "[ ]"
1 9 LEU 1.016 0.292 1 0 "[ ]"
1 10 CYS 0.132 0.071 1 0 "[ ]"
1 11 THR 0.344 0.122 1 0 "[ ]"
1 12 TYR 0.216 0.093 1 0 "[ ]"
1 13 SER 0.175 0.175 1 0 "[ ]"
1 14 GLY 0.140 0.093 1 0 "[ ]"
1 15 THR 0.267 0.221 1 0 "[ ]"
1 16 GLY 0.110 0.110 1 0 "[ ]"
1 17 LEU 0.682 0.257 1 0 "[ ]"
1 18 SER 0.329 0.207 1 0 "[ ]"
1 19 GLY 0.000 0.000 . 0 "[ ]"
1 20 ALA 0.000 0.000 . 0 "[ ]"
1 21 ARG 0.000 0.000 . 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 23 VAL 0.717 0.442 1 0 "[ ]"
1 24 ILE 0.800 0.442 1 0 "[ ]"
1 25 PRO 0.070 0.070 1 0 "[ ]"
1 26 ALA 1.051 0.375 1 0 "[ ]"
1 27 SER 0.409 0.170 1 0 "[ ]"
1 28 ASP 0.928 0.431 1 0 "[ ]"
1 29 MET 1.274 0.270 1 0 "[ ]"
1 30 GLU 0.959 0.410 1 0 "[ ]"
1 31 LYS 0.861 0.410 1 0 "[ ]"
1 32 ALA 0.416 0.339 1 0 "[ ]"
1 33 GLY 0.854 0.270 1 0 "[ ]"
1 34 THR 0.334 0.301 1 0 "[ ]"
1 35 ASP 0.158 0.137 1 0 "[ ]"
1 36 GLY 0.087 0.066 1 0 "[ ]"
1 37 VAL 0.780 0.450 1 0 "[ ]"
1 38 LYS 0.131 0.131 1 0 "[ ]"
1 39 LEU 0.038 0.038 1 0 "[ ]"
1 40 PRO 0.000 0.000 . 0 "[ ]"
1 41 ALA 0.000 0.000 . 0 "[ ]"
1 42 SER 0.000 0.000 . 0 "[ ]"
1 43 ALA 0.000 0.000 . 0 "[ ]"
1 44 ARG 0.070 0.070 1 0 "[ ]"
1 45 SER 0.053 0.053 1 0 "[ ]"
1 46 PHE 1.099 0.339 1 0 "[ ]"
1 47 ALA 0.313 0.117 1 0 "[ ]"
1 48 ASN 0.496 0.292 1 0 "[ ]"
1 49 GLY 0.196 0.101 1 0 "[ ]"
1 50 THR 0.134 0.134 1 0 "[ ]"
1 51 HIS 0.398 0.174 1 0 "[ ]"
1 52 PHE 0.452 0.250 1 0 "[ ]"
1 53 THR 0.532 0.174 1 0 "[ ]"
1 54 LEU 0.578 0.253 1 0 "[ ]"
1 55 ARG 0.379 0.253 1 0 "[ ]"
1 56 TYR 0.135 0.135 1 0 "[ ]"
1 57 GLY 0.052 0.052 1 0 "[ ]"
1 58 PRO 0.029 0.029 1 0 "[ ]"
1 59 ALA 0.299 0.299 1 0 "[ ]"
1 60 ARG 0.109 0.103 1 0 "[ ]"
1 61 LYS 0.039 0.038 1 0 "[ ]"
1 62 VAL 0.128 0.128 1 0 "[ ]"
1 63 THR 0.027 0.027 1 0 "[ ]"
1 64 CYS 0.171 0.095 1 0 "[ ]"
1 65 VAL 0.188 0.119 1 0 "[ ]"
1 66 ARG 0.145 0.053 1 0 "[ ]"
1 67 PHE 0.347 0.118 1 0 "[ ]"
1 68 PRO 0.000 0.000 . 0 "[ ]"
1 69 CYS 0.363 0.363 1 0 "[ ]"
1 70 TYR 0.743 0.236 1 0 "[ ]"
1 71 GLN 1.810 0.450 1 0 "[ ]"
1 72 TYR 0.765 0.299 1 0 "[ ]"
1 73 ALA 0.482 0.168 1 0 "[ ]"
1 74 THR 0.586 0.168 1 0 "[ ]"
1 75 VAL 0.128 0.113 1 0 "[ ]"
1 76 GLY 0.015 0.015 1 0 "[ ]"
1 77 LYS 0.938 0.398 1 0 "[ ]"
1 78 VAL 0.558 0.389 1 0 "[ ]"
1 79 ALA 1.015 0.398 1 0 "[ ]"
1 80 PRO 0.864 0.330 1 0 "[ ]"
1 81 GLY 0.000 0.000 . 0 "[ ]"
1 82 ALA 0.489 0.247 1 0 "[ ]"
1 83 GLN 0.179 0.119 1 0 "[ ]"
1 84 LEU 0.277 0.218 1 0 "[ ]"
1 85 ARG 0.125 0.074 1 0 "[ ]"
1 86 SER 0.192 0.160 1 0 "[ ]"
1 87 LEU 0.363 0.203 1 0 "[ ]"
1 88 PRO 0.026 0.026 1 0 "[ ]"
1 89 SER 0.149 0.149 1 0 "[ ]"
1 90 PRO 0.206 0.206 1 0 "[ ]"
1 91 GLY 0.000 0.000 . 0 "[ ]"
1 92 ALA 0.211 0.206 1 0 "[ ]"
1 93 THR 0.221 0.163 1 0 "[ ]"
1 94 VAL 0.231 0.163 1 0 "[ ]"
1 95 THR 0.315 0.183 1 0 "[ ]"
1 96 VAL 0.295 0.183 1 0 "[ ]"
1 97 GLY 0.049 0.049 1 0 "[ ]"
1 98 GLN 1.242 0.381 1 0 "[ ]"
1 99 ASP 1.260 0.381 1 0 "[ ]"
1 100 LEU 1.790 0.375 1 0 "[ ]"
1 101 GLY 0.021 0.021 1 0 "[ ]"
1 102 ASP 0.519 0.372 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 2 PRO HD3 3.000 . 3.500 2.346 2.346 2.346 . 0 0 "[ ]" 1
2 1 1 ALA HA 1 2 PRO HD2 3.000 . 3.500 2.050 2.050 2.050 . 0 0 "[ ]" 1
3 1 1 ALA HA 1 2 PRO QD 2.700 . 3.900 1.928 1.928 1.928 . 0 0 "[ ]" 1
4 1 1 ALA MB 1 46 PHE H 5.000 . 8.500 6.163 6.163 6.163 . 0 0 "[ ]" 1
5 1 1 ALA MB 1 3 SER H 5.000 . 8.500 3.501 3.501 3.501 . 0 0 "[ ]" 1
6 1 1 ALA MB 1 17 LEU H 5.000 . 8.500 6.379 6.379 6.379 . 0 0 "[ ]" 1
7 1 2 PRO HA 1 3 SER H 2.700 . 2.900 2.599 2.599 2.599 . 0 0 "[ ]" 1
8 1 2 PRO HB3 1 3 SER H 4.000 . 5.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
9 1 2 PRO HB2 1 3 SER H 4.000 . 5.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
10 1 2 PRO QB 1 4 CYS H 5.000 . 8.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
11 1 3 SER H 1 4 CYS HA 4.000 . 5.000 4.861 4.861 4.861 . 0 0 "[ ]" 1
12 1 3 SER QB 1 4 CYS H 4.000 . 6.000 3.169 3.169 3.169 . 0 0 "[ ]" 1
13 1 3 SER QB 1 15 THR HB 4.000 . 6.000 3.099 3.099 3.099 . 0 0 "[ ]" 1
14 1 3 SER QB 1 16 GLY H 4.000 . 6.000 2.016 2.016 2.016 . 0 0 "[ ]" 1
15 1 3 SER QB 1 17 LEU H 5.000 . 8.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
16 1 3 SER QB 1 46 PHE H 5.000 . 8.000 5.573 5.573 5.573 . 0 0 "[ ]" 1
17 1 3 SER QB 1 18 SER H 5.000 . 8.000 5.040 5.040 5.040 . 0 0 "[ ]" 1
18 1 4 CYS H 1 4 CYS HB3 3.000 . 3.500 3.086 3.086 3.086 . 0 0 "[ ]" 1
19 1 4 CYS H 1 4 CYS HB2 3.000 . 3.500 2.007 2.007 2.007 . 0 0 "[ ]" 1
20 1 4 CYS HA 1 5 PRO HD3 3.000 . 3.500 2.192 2.192 2.192 . 0 0 "[ ]" 1
21 1 4 CYS HA 1 5 PRO HD2 3.000 . 3.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
22 1 4 CYS HA 1 5 PRO QD 2.700 . 3.900 2.132 2.132 2.132 . 0 0 "[ ]" 1
23 1 4 CYS HA 1 12 TYR QD 5.000 . 9.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
24 1 4 CYS HA 1 16 GLY H 4.000 . 5.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
25 1 4 CYS HA 1 17 LEU H 3.000 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1
26 1 4 CYS HA 1 18 SER H 4.000 . 5.000 5.207 5.207 5.207 0.207 1 0 "[ ]" 1
27 1 4 CYS HA 1 45 SER H 5.000 . 7.000 6.935 6.935 6.935 . 0 0 "[ ]" 1
28 1 4 CYS HA 1 46 PHE H 4.000 . 5.000 5.339 5.339 5.339 0.339 1 0 "[ ]" 1
29 1 4 CYS QB 1 46 PHE H 5.000 . 8.000 2.686 2.686 2.686 . 0 0 "[ ]" 1
30 1 4 CYS QB 1 48 ASN H 5.000 . 8.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
31 1 4 CYS H 1 4 CYS QB 3.000 . 4.500 1.983 1.983 1.983 . 0 0 "[ ]" 1
32 1 4 CYS QB 1 12 TYR QE 4.000 . 9.000 1.788 1.788 1.788 . 0 0 "[ ]" 1
33 1 5 PRO HB3 1 6 ALA H 3.000 . 3.500 3.360 3.360 3.360 . 0 0 "[ ]" 1
34 1 5 PRO HB2 1 6 ALA H 3.000 . 3.500 1.732 1.732 1.732 0.068 1 0 "[ ]" 1
35 1 5 PRO QB 1 7 GLY H 5.000 . 8.000 5.700 5.700 5.700 . 0 0 "[ ]" 1
36 1 5 PRO QG 1 10 CYS H 5.000 . 8.000 5.321 5.321 5.321 . 0 0 "[ ]" 1
37 1 5 PRO QG 1 16 GLY H 5.000 . 8.000 7.125 7.125 7.125 . 0 0 "[ ]" 1
38 1 5 PRO QD 1 46 PHE H 5.000 . 8.000 5.873 5.873 5.873 . 0 0 "[ ]" 1
39 1 5 PRO QG 1 8 SER H 5.000 . 8.000 5.070 5.070 5.070 . 0 0 "[ ]" 1
40 1 5 PRO QD 1 6 ALA H 5.000 . 8.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
41 1 6 ALA H 1 6 ALA HA 2.700 . 2.900 2.882 2.882 2.882 . 0 0 "[ ]" 1
42 1 6 ALA MB 1 8 SER H 5.000 . 8.500 4.887 4.887 4.887 . 0 0 "[ ]" 1
43 1 6 ALA MB 1 47 ALA HA 5.000 . 8.500 4.630 4.630 4.630 . 0 0 "[ ]" 1
44 1 6 ALA MB 1 49 GLY QA 5.000 . 9.500 4.447 4.447 4.447 . 0 0 "[ ]" 1
45 1 6 ALA H 1 87 LEU QB 5.000 . 8.000 7.213 7.213 7.213 . 0 0 "[ ]" 1
46 1 6 ALA HA 1 49 GLY H 5.000 . 7.000 4.794 4.794 4.794 . 0 0 "[ ]" 1
47 1 7 GLY H 1 7 GLY HA3 2.700 . 2.900 2.977 2.977 2.977 0.077 1 0 "[ ]" 1
48 1 7 GLY H 1 7 GLY HA2 2.700 . 2.900 2.684 2.684 2.684 . 0 0 "[ ]" 1
49 1 7 GLY H 1 8 SER H 3.000 . 3.500 2.469 2.469 2.469 . 0 0 "[ ]" 1
50 1 7 GLY H 1 8 SER HB2 4.000 . 5.000 5.103 5.103 5.103 0.103 1 0 "[ ]" 1
51 1 7 GLY H 1 47 ALA HA 4.000 . 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 1
52 1 7 GLY H 1 49 GLY HA3 4.000 . 5.000 3.124 3.124 3.124 . 0 0 "[ ]" 1
53 1 7 GLY H 1 49 GLY HA2 4.000 . 5.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
54 1 7 GLY H 1 49 GLY QA 4.000 . 6.000 2.594 2.594 2.594 . 0 0 "[ ]" 1
55 1 7 GLY H 1 87 LEU HA 4.000 . 5.000 5.203 5.203 5.203 0.203 1 0 "[ ]" 1
56 1 7 GLY H 1 87 LEU QB 5.000 . 8.000 6.409 6.409 6.409 . 0 0 "[ ]" 1
57 1 7 GLY HA3 1 8 SER H 3.000 . 3.500 2.833 2.833 2.833 . 0 0 "[ ]" 1
58 1 7 GLY HA2 1 8 SER H 3.000 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
59 1 7 GLY QA 1 49 GLY H 4.000 . 6.000 4.817 4.817 4.817 . 0 0 "[ ]" 1
60 1 7 GLY H 1 50 THR MG 5.000 . 8.500 6.757 6.757 6.757 . 0 0 "[ ]" 1
61 1 8 SER H 1 8 SER HB2 4.000 . 5.000 2.671 2.671 2.671 . 0 0 "[ ]" 1
62 1 8 SER H 1 9 LEU HB3 5.000 . 7.000 6.500 6.500 6.500 . 0 0 "[ ]" 1
63 1 8 SER H 1 23 VAL MG2 5.000 . 8.500 6.887 6.887 6.887 . 0 0 "[ ]" 1
64 1 8 SER H 1 25 PRO HA 4.000 . 5.000 5.070 5.070 5.070 0.070 1 0 "[ ]" 1
65 1 8 SER H 1 49 GLY HA3 4.000 . 5.000 3.012 3.012 3.012 . 0 0 "[ ]" 1
66 1 8 SER H 1 49 GLY HA2 4.000 . 5.000 3.961 3.961 3.961 . 0 0 "[ ]" 1
67 1 8 SER H 1 49 GLY QA 4.000 . 6.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
68 1 8 SER HA 1 8 SER HB3 2.700 . 2.900 2.574 2.574 2.574 . 0 0 "[ ]" 1
69 1 8 SER HA 1 8 SER HB2 2.700 . 2.900 3.013 3.013 3.013 0.113 1 0 "[ ]" 1
70 1 8 SER HA 1 9 LEU H 2.700 . 2.900 2.543 2.543 2.543 . 0 0 "[ ]" 1
71 1 8 SER HA 1 9 LEU HB3 4.000 . 5.000 5.069 5.069 5.069 0.069 1 0 "[ ]" 1
72 1 8 SER HA 1 25 PRO HA 2.700 . 2.900 2.452 2.452 2.452 . 0 0 "[ ]" 1
73 1 8 SER HA 1 26 ALA H 3.000 . 3.500 3.839 3.839 3.839 0.339 1 0 "[ ]" 1
74 1 8 SER HA 1 47 ALA MB 5.000 . 8.500 4.842 4.842 4.842 . 0 0 "[ ]" 1
75 1 8 SER HA 1 50 THR MG 4.000 . 6.500 4.320 4.320 4.320 . 0 0 "[ ]" 1
76 1 8 SER HB3 1 9 LEU H 4.000 . 5.000 2.454 2.454 2.454 . 0 0 "[ ]" 1
77 1 8 SER HB3 1 9 LEU HA 4.000 . 5.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
78 1 8 SER HB3 1 23 VAL HB 4.000 . 5.000 4.593 4.593 4.593 . 0 0 "[ ]" 1
79 1 8 SER HB3 1 23 VAL MG1 4.000 . 6.500 2.594 2.594 2.594 . 0 0 "[ ]" 1
80 1 8 SER HB3 1 24 ILE H 5.000 . 7.000 3.109 3.109 3.109 . 0 0 "[ ]" 1
81 1 8 SER HB3 1 26 ALA H 5.000 . 7.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
82 1 8 SER HB2 1 9 LEU H 3.000 . 3.500 3.694 3.694 3.694 0.194 1 0 "[ ]" 1
83 1 8 SER HB2 1 23 VAL HB 4.000 . 5.000 4.950 4.950 4.950 . 0 0 "[ ]" 1
84 1 8 SER HB2 1 23 VAL MG1 4.000 . 6.500 2.455 2.455 2.455 . 0 0 "[ ]" 1
85 1 8 SER HB2 1 24 ILE H 5.000 . 7.000 4.087 4.087 4.087 . 0 0 "[ ]" 1
86 1 8 SER HB2 1 25 PRO HA 4.000 . 5.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
87 1 8 SER H 1 9 LEU H 5.000 . 7.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
88 1 9 LEU H 1 9 LEU HB3 2.700 . 2.900 2.546 2.546 2.546 . 0 0 "[ ]" 1
89 1 9 LEU H 1 9 LEU HB2 3.000 . 3.500 2.421 2.421 2.421 . 0 0 "[ ]" 1
90 1 9 LEU H 1 9 LEU HG 5.000 . 7.000 4.379 4.379 4.379 . 0 0 "[ ]" 1
91 1 9 LEU H 1 23 VAL HA 4.000 . 5.000 5.079 5.079 5.079 0.079 1 0 "[ ]" 1
92 1 9 LEU H 1 24 ILE H 3.000 . 3.500 3.145 3.145 3.145 . 0 0 "[ ]" 1
93 1 9 LEU H 1 24 ILE QG 5.000 . 8.000 4.625 4.625 4.625 . 0 0 "[ ]" 1
94 1 9 LEU H 1 25 PRO HA 4.000 . 5.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
95 1 9 LEU H 1 26 ALA H 4.000 . 5.000 2.871 2.871 2.871 . 0 0 "[ ]" 1
96 1 9 LEU H 1 26 ALA HA 4.000 . 5.000 5.072 5.072 5.072 0.072 1 0 "[ ]" 1
97 1 9 LEU H 1 100 LEU MD2 5.000 . 8.500 2.794 2.794 2.794 . 0 0 "[ ]" 1
98 1 9 LEU HA 1 9 LEU HB3 2.700 . 2.900 3.002 3.002 3.002 0.102 1 0 "[ ]" 1
99 1 9 LEU HA 1 9 LEU HB2 2.700 . 2.900 2.528 2.528 2.528 . 0 0 "[ ]" 1
100 1 9 LEU HA 1 10 CYS H 2.700 . 2.900 2.504 2.504 2.504 . 0 0 "[ ]" 1
101 1 9 LEU HA 1 11 THR H 4.000 . 5.000 5.086 5.086 5.086 0.086 1 0 "[ ]" 1
102 1 9 LEU HA 1 47 ALA H 4.000 . 5.000 3.395 3.395 3.395 . 0 0 "[ ]" 1
103 1 9 LEU HA 1 48 ASN HA 2.700 . 2.900 3.192 3.192 3.192 0.292 1 0 "[ ]" 1
104 1 9 LEU HA 1 49 GLY H 2.700 . 2.900 3.001 3.001 3.001 0.101 1 0 "[ ]" 1
105 1 9 LEU HA 1 100 LEU MD1 5.000 . 8.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
106 1 9 LEU HB3 1 24 ILE H 3.000 . 3.500 3.003 3.003 3.003 . 0 0 "[ ]" 1
107 1 9 LEU HB2 1 24 ILE H 5.000 . 7.000 4.384 4.384 4.384 . 0 0 "[ ]" 1
108 1 9 LEU HB2 1 24 ILE HB 4.000 . 5.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
109 1 9 LEU HB2 1 48 ASN HA 4.000 . 5.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
110 1 9 LEU HG 1 10 CYS H 4.000 . 5.000 3.984 3.984 3.984 . 0 0 "[ ]" 1
111 1 9 LEU HG 1 11 THR H 5.000 . 7.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
112 1 9 LEU HG 1 11 THR HA 4.000 . 5.000 4.812 4.812 4.812 . 0 0 "[ ]" 1
113 1 9 LEU HG 1 48 ASN QD 5.000 . 8.000 5.805 5.805 5.805 . 0 0 "[ ]" 1
114 1 9 LEU QD 1 10 CYS H 5.000 . 9.500 4.315 4.315 4.315 . 0 0 "[ ]" 1
115 1 9 LEU QD 1 11 THR H 5.000 . 9.500 3.576 3.576 3.576 . 0 0 "[ ]" 1
116 1 9 LEU QD 1 11 THR HA 5.000 . 9.500 4.196 4.196 4.196 . 0 0 "[ ]" 1
117 1 9 LEU QD 1 11 THR HB 5.000 . 9.500 4.018 4.018 4.018 . 0 0 "[ ]" 1
118 1 9 LEU QD 1 12 TYR H 5.000 . 9.500 5.882 5.882 5.882 . 0 0 "[ ]" 1
119 1 9 LEU QD 1 24 ILE H 5.000 . 9.500 3.639 3.639 3.639 . 0 0 "[ ]" 1
120 1 9 LEU QD 1 24 ILE HB 5.000 . 9.500 2.096 2.096 2.096 . 0 0 "[ ]" 1
121 1 9 LEU QD 1 27 SER H 5.000 . 9.500 5.135 5.135 5.135 . 0 0 "[ ]" 1
122 1 9 LEU QD 1 46 PHE H 5.000 . 9.500 5.767 5.767 5.767 . 0 0 "[ ]" 1
123 1 9 LEU QD 1 46 PHE HA 5.000 . 9.500 5.095 5.095 5.095 . 0 0 "[ ]" 1
124 1 9 LEU QD 1 46 PHE HB3 5.000 . 9.500 3.537 3.537 3.537 . 0 0 "[ ]" 1
125 1 9 LEU QD 1 46 PHE HB2 5.000 . 9.500 3.346 3.346 3.346 . 0 0 "[ ]" 1
126 1 9 LEU QD 1 47 ALA H 5.000 . 9.500 4.613 4.613 4.613 . 0 0 "[ ]" 1
127 1 9 LEU QD 1 47 ALA HA 5.000 . 9.500 5.706 5.706 5.706 . 0 0 "[ ]" 1
128 1 9 LEU QD 1 48 ASN H 5.000 . 9.500 5.381 5.381 5.381 . 0 0 "[ ]" 1
129 1 9 LEU QD 1 48 ASN HA 5.000 . 9.500 3.189 3.189 3.189 . 0 0 "[ ]" 1
130 1 9 LEU QD 1 49 GLY H 5.000 . 9.500 4.165 4.165 4.165 . 0 0 "[ ]" 1
131 1 9 LEU H 1 10 CYS HA 5.000 . 7.000 5.043 5.043 5.043 . 0 0 "[ ]" 1
132 1 9 LEU H 1 24 ILE MD 5.000 . 8.500 5.435 5.435 5.435 . 0 0 "[ ]" 1
133 1 9 LEU H 1 100 LEU HG 5.000 . 7.000 5.090 5.090 5.090 . 0 0 "[ ]" 1
134 1 9 LEU HA 1 24 ILE H 5.000 . 7.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
135 1 9 LEU HB3 1 11 THR H 5.000 . 7.000 4.757 4.757 4.757 . 0 0 "[ ]" 1
136 1 9 LEU HB2 1 10 CYS H 4.000 . 5.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
137 1 9 LEU HB2 1 49 GLY H 5.000 . 7.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
138 1 9 LEU HB2 1 100 LEU H 5.000 . 7.000 7.020 7.020 7.020 0.020 1 0 "[ ]" 1
139 1 9 LEU QD 1 50 THR H 5.000 . 9.500 5.324 5.324 5.324 . 0 0 "[ ]" 1
140 1 10 CYS QB 1 47 ALA MB 5.000 . 9.500 3.132 3.132 3.132 . 0 0 "[ ]" 1
141 1 10 CYS H 1 10 CYS HB3 4.000 . 5.000 2.751 2.751 2.751 . 0 0 "[ ]" 1
142 1 10 CYS H 1 10 CYS HB2 4.000 . 5.000 3.650 3.650 3.650 . 0 0 "[ ]" 1
143 1 10 CYS H 1 11 THR MG 5.000 . 8.500 4.473 4.473 4.473 . 0 0 "[ ]" 1
144 1 10 CYS H 1 24 ILE H 4.000 . 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
145 1 10 CYS H 1 46 PHE HB3 5.000 . 7.000 4.771 4.771 4.771 . 0 0 "[ ]" 1
146 1 10 CYS H 1 47 ALA H 4.000 . 5.000 2.168 2.168 2.168 . 0 0 "[ ]" 1
147 1 10 CYS H 1 47 ALA MB 5.000 . 8.500 2.232 2.232 2.232 . 0 0 "[ ]" 1
148 1 10 CYS H 1 48 ASN HA 4.000 . 5.000 4.977 4.977 4.977 . 0 0 "[ ]" 1
149 1 10 CYS H 1 49 GLY H 4.000 . 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 1
150 1 10 CYS HA 1 11 THR H 2.700 . 2.900 2.231 2.231 2.231 . 0 0 "[ ]" 1
151 1 10 CYS HA 1 12 TYR QD 4.000 . 7.000 5.021 5.021 5.021 . 0 0 "[ ]" 1
152 1 10 CYS HA 1 12 TYR QE 4.000 . 8.000 6.560 6.560 6.560 . 0 0 "[ ]" 1
153 1 10 CYS HA 1 22 THR H 4.000 . 5.000 4.448 4.448 4.448 . 0 0 "[ ]" 1
154 1 10 CYS HA 1 23 VAL HA 2.700 . 2.900 1.729 1.729 1.729 0.071 1 0 "[ ]" 1
155 1 10 CYS HA 1 23 VAL MG1 5.000 . 8.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
156 1 10 CYS HA 1 24 ILE H 4.000 . 5.000 2.854 2.854 2.854 . 0 0 "[ ]" 1
157 1 10 CYS HA 1 24 ILE QG 5.000 . 8.000 3.806 3.806 3.806 . 0 0 "[ ]" 1
158 1 10 CYS HA 1 46 PHE HB3 4.000 . 5.000 4.951 4.951 4.951 . 0 0 "[ ]" 1
159 1 10 CYS HB3 1 17 LEU HG 4.000 . 5.000 5.061 5.061 5.061 0.061 1 0 "[ ]" 1
160 1 10 CYS QB 1 11 THR H 4.000 . 6.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
161 1 10 CYS HB2 1 17 LEU HG 4.000 . 5.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
162 1 10 CYS QB 1 46 PHE HB3 4.000 . 6.000 5.335 5.335 5.335 . 0 0 "[ ]" 1
163 1 10 CYS QB 1 17 LEU HB2 4.000 . 6.000 3.395 3.395 3.395 . 0 0 "[ ]" 1
164 1 10 CYS QB 1 47 ALA H 5.000 . 8.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
165 1 11 THR H 1 12 TYR H 4.000 . 5.000 4.705 4.705 4.705 . 0 0 "[ ]" 1
166 1 11 THR H 1 22 THR HB 5.000 . 7.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
167 1 11 THR H 1 23 VAL HA 4.000 . 5.000 3.183 3.183 3.183 . 0 0 "[ ]" 1
168 1 11 THR H 1 23 VAL MG1 5.000 . 8.500 4.657 4.657 4.657 . 0 0 "[ ]" 1
169 1 11 THR H 1 46 PHE HB2 5.000 . 7.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
170 1 11 THR HA 1 11 THR HB 2.700 . 2.900 2.395 2.395 2.395 . 0 0 "[ ]" 1
171 1 11 THR HA 1 12 TYR H 2.700 . 2.900 2.349 2.349 2.349 . 0 0 "[ ]" 1
172 1 11 THR HA 1 12 TYR QD 5.000 . 9.000 2.896 2.896 2.896 . 0 0 "[ ]" 1
173 1 11 THR HA 1 46 PHE H 4.000 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
174 1 11 THR HA 1 46 PHE HA 2.700 . 2.900 2.729 2.729 2.729 . 0 0 "[ ]" 1
175 1 11 THR HA 1 46 PHE HB3 3.000 . 3.500 1.678 1.678 1.678 0.122 1 0 "[ ]" 1
176 1 11 THR HA 1 46 PHE HB2 3.000 . 3.500 2.897 2.897 2.897 . 0 0 "[ ]" 1
177 1 11 THR HA 1 47 ALA H 4.000 . 5.000 4.335 4.335 4.335 . 0 0 "[ ]" 1
178 1 11 THR HB 1 12 TYR H 3.000 . 3.500 3.019 3.019 3.019 . 0 0 "[ ]" 1
179 1 11 THR HB 1 22 THR HB 4.000 . 5.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
180 1 11 THR HB 1 24 ILE H 5.000 . 7.000 7.046 7.046 7.046 0.046 1 0 "[ ]" 1
181 1 11 THR HB 1 46 PHE HA 4.000 . 5.000 5.091 5.091 5.091 0.091 1 0 "[ ]" 1
182 1 11 THR HB 1 46 PHE HB2 4.000 . 5.000 4.673 4.673 4.673 . 0 0 "[ ]" 1
183 1 11 THR MG 1 12 TYR H 5.000 . 8.500 4.146 4.146 4.146 . 0 0 "[ ]" 1
184 1 11 THR MG 1 46 PHE H 5.000 . 8.500 5.455 5.455 5.455 . 0 0 "[ ]" 1
185 1 11 THR MG 1 46 PHE HA 5.000 . 8.500 4.095 4.095 4.095 . 0 0 "[ ]" 1
186 1 11 THR MG 1 46 PHE HB3 4.000 . 6.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
187 1 11 THR MG 1 46 PHE HB2 5.000 . 8.500 2.590 2.590 2.590 . 0 0 "[ ]" 1
188 1 11 THR MG 1 47 ALA H 5.000 . 8.500 4.428 4.428 4.428 . 0 0 "[ ]" 1
189 1 11 THR H 1 24 ILE HA 5.000 . 7.000 6.065 6.065 6.065 . 0 0 "[ ]" 1
190 1 11 THR H 1 46 PHE HB3 5.000 . 7.000 3.644 3.644 3.644 . 0 0 "[ ]" 1
191 1 11 THR HA 1 22 THR H 5.000 . 7.000 4.597 4.597 4.597 . 0 0 "[ ]" 1
192 1 11 THR HA 1 45 SER H 5.000 . 7.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
193 1 11 THR MG 1 45 SER H 5.000 . 8.500 5.836 5.836 5.836 . 0 0 "[ ]" 1
194 1 12 TYR QD 1 46 PHE HB2 4.000 . 7.000 4.297 4.297 4.297 . 0 0 "[ ]" 1
195 1 12 TYR QE 1 17 LEU HA 5.000 . 10.000 3.612 3.612 3.612 . 0 0 "[ ]" 1
196 1 12 TYR H 1 12 TYR HB3 3.000 . 3.500 3.351 3.351 3.351 . 0 0 "[ ]" 1
197 1 12 TYR H 1 12 TYR HB2 4.000 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
198 1 12 TYR H 1 12 TYR QE 5.000 . 10.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
199 1 12 TYR H 1 44 ARG H 4.000 . 5.000 5.070 5.070 5.070 0.070 1 0 "[ ]" 1
200 1 12 TYR H 1 44 ARG QG 5.000 . 8.000 4.176 4.176 4.176 . 0 0 "[ ]" 1
201 1 12 TYR H 1 45 SER H 2.700 . 2.900 2.953 2.953 2.953 0.053 1 0 "[ ]" 1
202 1 12 TYR H 1 46 PHE HA 4.000 . 5.000 3.957 3.957 3.957 . 0 0 "[ ]" 1
203 1 12 TYR H 1 46 PHE HB3 5.000 . 7.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
204 1 12 TYR H 1 46 PHE HB2 5.000 . 7.000 5.101 5.101 5.101 . 0 0 "[ ]" 1
205 1 12 TYR HA 1 12 TYR HB2 2.700 . 2.900 2.481 2.481 2.481 . 0 0 "[ ]" 1
206 1 12 TYR HA 1 13 SER H 2.700 . 2.900 2.306 2.306 2.306 . 0 0 "[ ]" 1
207 1 12 TYR HA 1 13 SER HB3 4.000 . 5.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
208 1 12 TYR HA 1 14 GLY H 4.000 . 5.000 4.817 4.817 4.817 . 0 0 "[ ]" 1
209 1 12 TYR HA 1 20 ALA H 4.000 . 5.000 4.432 4.432 4.432 . 0 0 "[ ]" 1
210 1 12 TYR HA 1 21 ARG HA 2.700 . 2.900 2.051 2.051 2.051 . 0 0 "[ ]" 1
211 1 12 TYR HA 1 22 THR H 4.000 . 5.000 2.952 2.952 2.952 . 0 0 "[ ]" 1
212 1 12 TYR HA 1 22 THR MG 5.000 . 8.500 4.994 4.994 4.994 . 0 0 "[ ]" 1
213 1 12 TYR HB3 1 13 SER H 4.000 . 5.000 3.984 3.984 3.984 . 0 0 "[ ]" 1
214 1 12 TYR HB3 1 14 GLY H 4.000 . 5.000 5.093 5.093 5.093 0.093 1 0 "[ ]" 1
215 1 12 TYR HB3 1 17 LEU H 5.000 . 7.000 4.121 4.121 4.121 . 0 0 "[ ]" 1
216 1 12 TYR HB3 1 17 LEU HA 4.000 . 5.000 2.072 2.072 2.072 . 0 0 "[ ]" 1
217 1 12 TYR HB3 1 17 LEU MD2 5.000 . 8.500 4.700 4.700 4.700 . 0 0 "[ ]" 1
218 1 12 TYR HB3 1 18 SER H 5.000 . 7.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
219 1 12 TYR HB2 1 13 SER H 4.000 . 5.000 2.825 2.825 2.825 . 0 0 "[ ]" 1
220 1 12 TYR HB2 1 17 LEU H 5.000 . 7.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
221 1 12 TYR HB2 1 17 LEU HA 4.000 . 5.000 2.690 2.690 2.690 . 0 0 "[ ]" 1
222 1 12 TYR HB2 1 18 SER H 4.000 . 5.000 3.083 3.083 3.083 . 0 0 "[ ]" 1
223 1 12 TYR QD 1 17 LEU HA 5.000 . 9.000 2.358 2.358 2.358 . 0 0 "[ ]" 1
224 1 12 TYR QD 1 17 LEU HB3 5.000 . 9.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
225 1 12 TYR QD 1 17 LEU HB2 5.000 . 9.000 3.259 3.259 3.259 . 0 0 "[ ]" 1
226 1 12 TYR QD 1 17 LEU MD1 5.000 . 10.500 4.324 4.324 4.324 . 0 0 "[ ]" 1
227 1 12 TYR QD 1 21 ARG HA 5.000 . 9.000 4.227 4.227 4.227 . 0 0 "[ ]" 1
228 1 12 TYR QD 1 21 ARG QD 5.000 . 10.000 6.276 6.276 6.276 . 0 0 "[ ]" 1
229 1 12 TYR QE 1 13 SER H 5.000 . 10.000 5.804 5.804 5.804 . 0 0 "[ ]" 1
230 1 12 TYR QE 1 17 LEU HB2 4.000 . 8.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
231 1 12 TYR QE 1 17 LEU HG 4.000 . 8.000 5.908 5.908 5.908 . 0 0 "[ ]" 1
232 1 12 TYR QE 1 17 LEU MD1 5.000 . 11.500 5.123 5.123 5.123 . 0 0 "[ ]" 1
233 1 12 TYR QE 1 17 LEU MD2 5.000 . 11.500 5.744 5.744 5.744 . 0 0 "[ ]" 1
234 1 12 TYR QE 1 46 PHE HA 5.000 . 10.000 2.055 2.055 2.055 . 0 0 "[ ]" 1
235 1 12 TYR H 1 13 SER HA 5.000 . 7.000 4.718 4.718 4.718 . 0 0 "[ ]" 1
236 1 12 TYR H 1 45 SER QB 5.000 . 8.000 4.507 4.507 4.507 . 0 0 "[ ]" 1
237 1 12 TYR HA 1 21 ARG H 5.000 . 7.000 4.035 4.035 4.035 . 0 0 "[ ]" 1
238 1 12 TYR QD 1 14 GLY H 5.000 . 9.000 1.825 1.825 1.825 . 0 0 "[ ]" 1
239 1 12 TYR QD 1 17 LEU H 5.000 . 9.000 3.044 3.044 3.044 . 0 0 "[ ]" 1
240 1 12 TYR QD 1 20 ALA H 5.000 . 9.000 5.280 5.280 5.280 . 0 0 "[ ]" 1
241 1 12 TYR QD 1 45 SER H 5.000 . 9.000 3.639 3.639 3.639 . 0 0 "[ ]" 1
242 1 13 SER H 1 13 SER HB3 4.000 . 5.000 2.549 2.549 2.549 . 0 0 "[ ]" 1
243 1 13 SER H 1 13 SER HB2 3.000 . 3.500 3.675 3.675 3.675 0.175 1 0 "[ ]" 1
244 1 13 SER H 1 14 GLY H 3.000 . 3.500 3.477 3.477 3.477 . 0 0 "[ ]" 1
245 1 13 SER H 1 19 GLY HA3 4.000 . 5.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
246 1 13 SER H 1 19 GLY HA2 4.000 . 5.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
247 1 13 SER H 1 19 GLY QA 4.000 . 6.000 3.433 3.433 3.433 . 0 0 "[ ]" 1
248 1 13 SER H 1 20 ALA H 2.700 . 2.900 2.350 2.350 2.350 . 0 0 "[ ]" 1
249 1 13 SER H 1 20 ALA MB 5.000 . 8.500 2.543 2.543 2.543 . 0 0 "[ ]" 1
250 1 13 SER HA 1 13 SER HB3 2.700 . 2.900 2.647 2.647 2.647 . 0 0 "[ ]" 1
251 1 13 SER HA 1 13 SER HB2 2.700 . 2.900 2.320 2.320 2.320 . 0 0 "[ ]" 1
252 1 13 SER HA 1 20 ALA H 4.000 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
253 1 13 SER HA 1 44 ARG H 4.000 . 5.000 3.674 3.674 3.674 . 0 0 "[ ]" 1
254 1 13 SER HB3 1 20 ALA MB 5.000 . 8.500 1.771 1.771 1.771 . 0 0 "[ ]" 1
255 1 13 SER HB2 1 14 GLY H 4.000 . 5.000 4.495 4.495 4.495 . 0 0 "[ ]" 1
256 1 13 SER HB2 1 20 ALA H 4.000 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
257 1 13 SER HB2 1 20 ALA MB 4.000 . 6.500 3.080 3.080 3.080 . 0 0 "[ ]" 1
258 1 13 SER H 1 21 ARG HA 5.000 . 7.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
259 1 13 SER HA 1 15 THR H 5.000 . 7.000 4.118 4.118 4.118 . 0 0 "[ ]" 1
260 1 14 GLY H 1 15 THR HA 4.000 . 5.000 4.086 4.086 4.086 . 0 0 "[ ]" 1
261 1 14 GLY H 1 43 ALA HA 4.000 . 5.000 2.568 2.568 2.568 . 0 0 "[ ]" 1
262 1 14 GLY H 1 44 ARG HB3 5.000 . 7.000 6.979 6.979 6.979 . 0 0 "[ ]" 1
263 1 14 GLY QA 1 15 THR H 3.000 . 4.500 2.832 2.832 2.832 . 0 0 "[ ]" 1
264 1 14 GLY QA 1 15 THR MG 5.000 . 9.500 3.925 3.925 3.925 . 0 0 "[ ]" 1
265 1 14 GLY QA 1 19 GLY H 5.000 . 8.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
266 1 14 GLY QA 1 20 ALA H 4.000 . 6.000 4.117 4.117 4.117 . 0 0 "[ ]" 1
267 1 14 GLY HA3 1 15 THR H 3.000 . 3.500 3.546 3.546 3.546 0.046 1 0 "[ ]" 1
268 1 14 GLY HA2 1 15 THR H 3.000 . 3.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
269 1 14 GLY H 1 17 LEU HA 5.000 . 7.000 5.336 5.336 5.336 . 0 0 "[ ]" 1
270 1 14 GLY H 1 18 SER H 5.000 . 7.000 4.241 4.241 4.241 . 0 0 "[ ]" 1
271 1 14 GLY H 1 43 ALA MB 5.000 . 8.500 3.685 3.685 3.685 . 0 0 "[ ]" 1
272 1 14 GLY QA 1 16 GLY H 5.000 . 8.000 5.463 5.463 5.463 . 0 0 "[ ]" 1
273 1 15 THR H 1 16 GLY H 4.000 . 5.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
274 1 15 THR H 1 16 GLY QA 5.000 . 8.000 5.281 5.281 5.281 . 0 0 "[ ]" 1
275 1 15 THR H 1 18 SER H 4.000 . 5.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
276 1 15 THR H 1 43 ALA MB 4.000 . 6.500 3.836 3.836 3.836 . 0 0 "[ ]" 1
277 1 15 THR H 1 44 ARG HB2 5.000 . 7.000 6.602 6.602 6.602 . 0 0 "[ ]" 1
278 1 15 THR H 1 44 ARG QD 5.000 . 8.000 6.944 6.944 6.944 . 0 0 "[ ]" 1
279 1 15 THR HA 1 15 THR HB 2.700 . 2.900 2.600 2.600 2.600 . 0 0 "[ ]" 1
280 1 15 THR HA 1 16 GLY H 3.000 . 3.500 2.178 2.178 2.178 . 0 0 "[ ]" 1
281 1 15 THR HA 1 17 LEU H 3.000 . 3.500 3.721 3.721 3.721 0.221 1 0 "[ ]" 1
282 1 15 THR HB 1 16 GLY H 4.000 . 5.000 3.842 3.842 3.842 . 0 0 "[ ]" 1
283 1 15 THR H 1 44 ARG QG 5.000 . 8.000 7.128 7.128 7.128 . 0 0 "[ ]" 1
284 1 15 THR HA 1 18 SER H 5.000 . 7.000 4.674 4.674 4.674 . 0 0 "[ ]" 1
285 1 15 THR HA 1 44 ARG H 5.000 . 7.000 5.077 5.077 5.077 . 0 0 "[ ]" 1
286 1 16 GLY H 1 17 LEU H 4.000 . 5.000 1.909 1.909 1.909 . 0 0 "[ ]" 1
287 1 16 GLY H 1 17 LEU HB2 4.000 . 5.000 5.110 5.110 5.110 0.110 1 0 "[ ]" 1
288 1 16 GLY H 1 43 ALA MB 5.000 . 8.500 7.084 7.084 7.084 . 0 0 "[ ]" 1
289 1 16 GLY H 1 17 LEU HA 5.000 . 7.000 4.227 4.227 4.227 . 0 0 "[ ]" 1
290 1 16 GLY H 1 17 LEU HG 5.000 . 7.000 6.594 6.594 6.594 . 0 0 "[ ]" 1
291 1 16 GLY H 1 18 SER H 5.000 . 7.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
292 1 16 GLY H 1 45 SER QB 5.000 . 8.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
293 1 17 LEU H 1 17 LEU HA 2.700 . 2.900 2.349 2.349 2.349 . 0 0 "[ ]" 1
294 1 17 LEU H 1 17 LEU HB3 4.000 . 5.000 3.094 3.094 3.094 . 0 0 "[ ]" 1
295 1 17 LEU H 1 17 LEU HB2 4.000 . 5.000 3.368 3.368 3.368 . 0 0 "[ ]" 1
296 1 17 LEU H 1 17 LEU HG 4.000 . 5.000 4.751 4.751 4.751 . 0 0 "[ ]" 1
297 1 17 LEU H 1 17 LEU MD1 5.000 . 8.500 4.861 4.861 4.861 . 0 0 "[ ]" 1
298 1 17 LEU H 1 18 SER H 3.000 . 3.500 2.640 2.640 2.640 . 0 0 "[ ]" 1
299 1 17 LEU H 1 45 SER QB 5.000 . 8.000 4.731 4.731 4.731 . 0 0 "[ ]" 1
300 1 17 LEU HA 1 17 LEU HB3 2.700 . 2.900 2.933 2.933 2.933 0.033 1 0 "[ ]" 1
301 1 17 LEU HA 1 17 LEU MD2 4.000 . 6.500 3.687 3.687 3.687 . 0 0 "[ ]" 1
302 1 17 LEU HA 1 18 SER H 3.000 . 3.500 3.053 3.053 3.053 . 0 0 "[ ]" 1
303 1 17 LEU HB3 1 18 SER H 4.000 . 5.000 4.038 4.038 4.038 . 0 0 "[ ]" 1
304 1 17 LEU HB3 1 46 PHE H 5.000 . 7.000 7.257 7.257 7.257 0.257 1 0 "[ ]" 1
305 1 17 LEU HB2 1 18 SER H 4.000 . 5.000 4.636 4.636 4.636 . 0 0 "[ ]" 1
306 1 17 LEU MD1 1 46 PHE H 5.000 . 8.500 6.925 6.925 6.925 . 0 0 "[ ]" 1
307 1 17 LEU MD2 1 18 SER H 5.000 . 8.500 3.731 3.731 3.731 . 0 0 "[ ]" 1
308 1 17 LEU MD1 1 18 SER H 5.000 . 8.500 5.392 5.392 5.392 . 0 0 "[ ]" 1
309 1 18 SER H 1 18 SER HB3 4.000 . 5.000 2.425 2.425 2.425 . 0 0 "[ ]" 1
310 1 18 SER H 1 18 SER HB2 4.000 . 5.000 2.733 2.733 2.733 . 0 0 "[ ]" 1
311 1 18 SER H 1 19 GLY H 4.000 . 5.000 4.317 4.317 4.317 . 0 0 "[ ]" 1
312 1 18 SER HA 1 18 SER HB3 2.700 . 2.900 3.021 3.021 3.021 0.121 1 0 "[ ]" 1
313 1 18 SER HA 1 18 SER HB2 2.700 . 2.900 2.472 2.472 2.472 . 0 0 "[ ]" 1
314 1 18 SER HA 1 19 GLY H 2.700 . 2.900 2.899 2.899 2.899 . 0 0 "[ ]" 1
315 1 18 SER QB 1 19 GLY H 4.000 . 6.000 2.669 2.669 2.669 . 0 0 "[ ]" 1
316 1 19 GLY H 1 20 ALA MB 5.000 . 8.500 5.928 5.928 5.928 . 0 0 "[ ]" 1
317 1 19 GLY HA3 1 20 ALA H 3.000 . 3.500 2.243 2.243 2.243 . 0 0 "[ ]" 1
318 1 19 GLY HA2 1 20 ALA H 3.000 . 3.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
319 1 19 GLY QA 1 20 ALA H 3.000 . 4.500 2.202 2.202 2.202 . 0 0 "[ ]" 1
320 1 19 GLY H 1 20 ALA HA 5.000 . 7.000 5.833 5.833 5.833 . 0 0 "[ ]" 1
321 1 20 ALA H 1 21 ARG H 4.000 . 5.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
322 1 20 ALA HA 1 21 ARG H 2.700 . 2.900 2.489 2.489 2.489 . 0 0 "[ ]" 1
323 1 20 ALA MB 1 21 ARG HA 5.000 . 8.500 4.374 4.374 4.374 . 0 0 "[ ]" 1
324 1 21 ARG H 1 21 ARG HB3 3.000 . 3.500 2.505 2.505 2.505 . 0 0 "[ ]" 1
325 1 21 ARG H 1 21 ARG HB2 4.000 . 5.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
326 1 21 ARG HA 1 21 ARG HB2 2.700 . 2.900 2.454 2.454 2.454 . 0 0 "[ ]" 1
327 1 21 ARG HA 1 22 THR H 2.700 . 2.900 2.141 2.141 2.141 . 0 0 "[ ]" 1
328 1 21 ARG HB3 1 22 THR H 4.000 . 5.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
329 1 21 ARG HB2 1 22 THR H 4.000 . 5.000 3.497 3.497 3.497 . 0 0 "[ ]" 1
330 1 21 ARG QD 1 23 VAL H 5.000 . 8.000 5.570 5.570 5.570 . 0 0 "[ ]" 1
331 1 21 ARG H 1 21 ARG QD 5.000 . 8.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
332 1 21 ARG QD 1 22 THR H 5.000 . 8.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
333 1 22 THR H 1 22 THR HB 3.000 . 3.500 3.439 3.439 3.439 . 0 0 "[ ]" 1
334 1 22 THR H 1 23 VAL MG2 5.000 . 8.500 4.315 4.315 4.315 . 0 0 "[ ]" 1
335 1 22 THR HA 1 22 THR HB 2.700 . 2.900 2.795 2.795 2.795 . 0 0 "[ ]" 1
336 1 22 THR HA 1 23 VAL H 2.700 . 2.900 2.514 2.514 2.514 . 0 0 "[ ]" 1
337 1 22 THR HA 1 23 VAL MG2 5.000 . 8.500 2.959 2.959 2.959 . 0 0 "[ ]" 1
338 1 22 THR HB 1 23 VAL H 3.000 . 3.500 2.798 2.798 2.798 . 0 0 "[ ]" 1
339 1 22 THR MG 1 23 VAL H 5.000 . 8.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
340 1 23 VAL H 1 23 VAL HB 2.700 . 2.900 3.025 3.025 3.025 0.125 1 0 "[ ]" 1
341 1 23 VAL H 1 23 VAL MG2 4.000 . 6.500 2.145 2.145 2.145 . 0 0 "[ ]" 1
342 1 23 VAL H 1 24 ILE H 4.000 . 5.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
343 1 23 VAL HA 1 24 ILE H 2.700 . 2.900 2.226 2.226 2.226 . 0 0 "[ ]" 1
344 1 23 VAL HA 1 24 ILE QG 5.000 . 8.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
345 1 23 VAL HB 1 24 ILE H 4.000 . 5.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
346 1 23 VAL HB 1 24 ILE HA 3.000 . 3.500 3.942 3.942 3.942 0.442 1 0 "[ ]" 1
347 1 23 VAL MG1 1 24 ILE H 5.000 . 8.500 2.695 2.695 2.695 . 0 0 "[ ]" 1
348 1 23 VAL MG2 1 24 ILE HA 5.000 . 8.500 5.171 5.171 5.171 . 0 0 "[ ]" 1
349 1 24 ILE H 1 24 ILE MD 5.000 . 8.500 3.447 3.447 3.447 . 0 0 "[ ]" 1
350 1 24 ILE HA 1 25 PRO HD3 3.000 . 3.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
351 1 24 ILE HA 1 25 PRO HD2 3.000 . 3.500 2.029 2.029 2.029 . 0 0 "[ ]" 1
352 1 24 ILE HB 1 26 ALA H 4.000 . 5.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
353 1 24 ILE HB 1 28 ASP H 4.000 . 5.000 4.697 4.697 4.697 . 0 0 "[ ]" 1
354 1 24 ILE HB 1 100 LEU HB3 4.000 . 5.000 5.249 5.249 5.249 0.249 1 0 "[ ]" 1
355 1 24 ILE HB 1 100 LEU MD2 5.000 . 8.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
356 1 24 ILE MG 1 27 SER H 5.000 . 8.500 2.417 2.417 2.417 . 0 0 "[ ]" 1
357 1 24 ILE MG 1 28 ASP H 5.000 . 8.500 1.869 1.869 1.869 . 0 0 "[ ]" 1
358 1 24 ILE MG 1 28 ASP HB3 4.000 . 6.500 2.306 2.306 2.306 . 0 0 "[ ]" 1
359 1 24 ILE MG 1 28 ASP HB2 5.000 . 8.500 1.603 1.603 1.603 . 0 0 "[ ]" 1
360 1 24 ILE MG 1 29 MET H 5.000 . 8.500 1.910 1.910 1.910 . 0 0 "[ ]" 1
361 1 24 ILE MD 1 28 ASP HB3 5.000 . 8.500 2.312 2.312 2.312 . 0 0 "[ ]" 1
362 1 24 ILE MD 1 28 ASP HB2 5.000 . 8.500 2.178 2.178 2.178 . 0 0 "[ ]" 1
363 1 24 ILE H 1 25 PRO QD 5.000 . 8.000 3.419 3.419 3.419 . 0 0 "[ ]" 1
364 1 24 ILE HB 1 47 ALA H 5.000 . 7.000 7.063 7.063 7.063 0.063 1 0 "[ ]" 1
365 1 25 PRO HB3 1 26 ALA H 4.000 . 5.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
366 1 25 PRO HB2 1 26 ALA H 4.000 . 5.000 4.325 4.325 4.325 . 0 0 "[ ]" 1
367 1 25 PRO QB 1 26 ALA H 3.000 . 4.500 3.973 3.973 3.973 . 0 0 "[ ]" 1
368 1 25 PRO QG 1 28 ASP H 5.000 . 8.000 4.380 4.380 4.380 . 0 0 "[ ]" 1
369 1 25 PRO QD 1 27 SER H 5.000 . 8.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
370 1 25 PRO QD 1 28 ASP H 5.000 . 8.000 3.489 3.489 3.489 . 0 0 "[ ]" 1
371 1 26 ALA H 1 28 ASP H 4.000 . 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
372 1 26 ALA H 1 50 THR MG 5.000 . 8.500 3.715 3.715 3.715 . 0 0 "[ ]" 1
373 1 26 ALA HA 1 27 SER H 2.700 . 2.900 2.590 2.590 2.590 . 0 0 "[ ]" 1
374 1 26 ALA HA 1 29 MET H 4.000 . 5.000 4.165 4.165 4.165 . 0 0 "[ ]" 1
375 1 26 ALA HA 1 29 MET HB3 3.000 . 3.500 3.513 3.513 3.513 0.013 1 0 "[ ]" 1
376 1 26 ALA HA 1 29 MET HB2 2.700 . 2.900 3.128 3.128 3.128 0.228 1 0 "[ ]" 1
377 1 26 ALA HA 1 30 GLU QB 4.000 . 6.000 5.022 5.022 5.022 . 0 0 "[ ]" 1
378 1 26 ALA HA 1 100 LEU HA 3.000 . 3.500 3.875 3.875 3.875 0.375 1 0 "[ ]" 1
379 1 26 ALA HA 1 100 LEU MD2 4.000 . 6.500 1.696 1.696 1.696 . 0 0 "[ ]" 1
380 1 26 ALA MB 1 27 SER HA 4.000 . 6.500 4.311 4.311 4.311 . 0 0 "[ ]" 1
381 1 26 ALA MB 1 28 ASP H 5.000 . 8.500 5.514 5.514 5.514 . 0 0 "[ ]" 1
382 1 26 ALA MB 1 50 THR H 5.000 . 8.500 5.550 5.550 5.550 . 0 0 "[ ]" 1
383 1 26 ALA HA 1 101 GLY H 5.000 . 7.000 5.546 5.546 5.546 . 0 0 "[ ]" 1
384 1 27 SER H 1 27 SER HA 2.700 . 2.900 2.939 2.939 2.939 0.039 1 0 "[ ]" 1
385 1 27 SER H 1 28 ASP H 3.000 . 3.500 2.298 2.298 2.298 . 0 0 "[ ]" 1
386 1 27 SER H 1 29 MET H 4.000 . 5.000 2.269 2.269 2.269 . 0 0 "[ ]" 1
387 1 27 SER H 1 29 MET HB3 3.000 . 3.500 3.670 3.670 3.670 0.170 1 0 "[ ]" 1
388 1 27 SER H 1 29 MET HB2 4.000 . 5.000 2.550 2.550 2.550 . 0 0 "[ ]" 1
389 1 27 SER H 1 30 GLU H 3.000 . 3.500 3.378 3.378 3.378 . 0 0 "[ ]" 1
390 1 27 SER H 1 30 GLU QB 4.000 . 6.000 4.038 4.038 4.038 . 0 0 "[ ]" 1
391 1 27 SER H 1 100 LEU HB3 5.000 . 7.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
392 1 27 SER HA 1 28 ASP H 3.000 . 3.500 3.601 3.601 3.601 0.101 1 0 "[ ]" 1
393 1 27 SER HA 1 29 MET H 4.000 . 5.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
394 1 27 SER HA 1 30 GLU H 3.000 . 3.500 3.240 3.240 3.240 . 0 0 "[ ]" 1
395 1 27 SER HA 1 30 GLU QB 4.000 . 6.000 2.366 2.366 2.366 . 0 0 "[ ]" 1
396 1 27 SER HA 1 30 GLU QG 5.000 . 8.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
397 1 27 SER HA 1 31 LYS H 4.000 . 5.000 5.100 5.100 5.100 0.100 1 0 "[ ]" 1
398 1 27 SER QB 1 28 ASP H 4.000 . 6.000 2.387 2.387 2.387 . 0 0 "[ ]" 1
399 1 28 ASP H 1 28 ASP HB3 2.700 . 2.900 3.331 3.331 3.331 0.431 1 0 "[ ]" 1
400 1 28 ASP H 1 28 ASP HB2 2.700 . 2.900 1.969 1.969 1.969 . 0 0 "[ ]" 1
401 1 28 ASP H 1 29 MET H 2.700 . 2.900 2.265 2.265 2.265 . 0 0 "[ ]" 1
402 1 28 ASP H 1 29 MET HA 4.000 . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 1
403 1 28 ASP H 1 29 MET HB3 4.000 . 5.000 5.067 5.067 5.067 0.067 1 0 "[ ]" 1
404 1 28 ASP H 1 29 MET HB2 3.000 . 3.500 3.694 3.694 3.694 0.194 1 0 "[ ]" 1
405 1 28 ASP H 1 30 GLU H 4.000 . 5.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
406 1 28 ASP H 1 31 LYS QB 5.000 . 8.000 5.018 5.018 5.018 . 0 0 "[ ]" 1
407 1 28 ASP H 1 100 LEU MD2 5.000 . 8.500 4.208 4.208 4.208 . 0 0 "[ ]" 1
408 1 28 ASP HA 1 28 ASP HB2 2.700 . 2.900 2.980 2.980 2.980 0.080 1 0 "[ ]" 1
409 1 28 ASP HA 1 30 GLU H 4.000 . 5.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
410 1 28 ASP HA 1 31 LYS H 3.000 . 3.500 3.513 3.513 3.513 0.013 1 0 "[ ]" 1
411 1 28 ASP HA 1 31 LYS QB 4.000 . 6.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
412 1 28 ASP HA 1 31 LYS QD 5.000 . 8.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
413 1 28 ASP HA 1 32 ALA H 4.000 . 5.000 4.835 4.835 4.835 . 0 0 "[ ]" 1
414 1 28 ASP HB3 1 29 MET H 4.000 . 5.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
415 1 28 ASP HB3 1 30 GLU H 5.000 . 7.000 5.174 5.174 5.174 . 0 0 "[ ]" 1
416 1 29 MET H 1 29 MET HB3 2.700 . 2.900 3.004 3.004 3.004 0.104 1 0 "[ ]" 1
417 1 29 MET H 1 29 MET HB2 3.000 . 3.500 1.806 1.806 1.806 . 0 0 "[ ]" 1
418 1 29 MET H 1 30 GLU H 2.700 . 2.900 2.463 2.463 2.463 . 0 0 "[ ]" 1
419 1 29 MET H 1 30 GLU QB 5.000 . 8.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
420 1 29 MET H 1 31 LYS H 4.000 . 5.000 3.831 3.831 3.831 . 0 0 "[ ]" 1
421 1 29 MET H 1 100 LEU HB3 5.000 . 7.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
422 1 29 MET H 1 100 LEU MD2 5.000 . 8.500 3.330 3.330 3.330 . 0 0 "[ ]" 1
423 1 29 MET HA 1 29 MET HB3 2.700 . 2.900 2.853 2.853 2.853 . 0 0 "[ ]" 1
424 1 29 MET HA 1 29 MET HB2 2.700 . 2.900 2.859 2.859 2.859 . 0 0 "[ ]" 1
425 1 29 MET HA 1 31 LYS H 4.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
426 1 29 MET HA 1 32 ALA MB 4.000 . 6.500 2.274 2.274 2.274 . 0 0 "[ ]" 1
427 1 29 MET HA 1 33 GLY H 2.700 . 2.900 3.170 3.170 3.170 0.270 1 0 "[ ]" 1
428 1 29 MET HA 1 100 LEU HB2 4.000 . 5.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
429 1 29 MET HA 1 100 LEU MD1 4.000 . 6.500 5.434 5.434 5.434 . 0 0 "[ ]" 1
430 1 29 MET HB3 1 30 GLU H 2.700 . 2.900 3.110 3.110 3.110 0.210 1 0 "[ ]" 1
431 1 29 MET HB3 1 99 ASP HA 4.000 . 5.000 4.616 4.616 4.616 . 0 0 "[ ]" 1
432 1 29 MET HB3 1 100 LEU H 5.000 . 7.000 2.933 2.933 2.933 . 0 0 "[ ]" 1
433 1 29 MET HB2 1 30 GLU H 3.000 . 3.500 3.274 3.274 3.274 . 0 0 "[ ]" 1
434 1 29 MET HB2 1 52 PHE HA 5.000 . 7.000 6.873 6.873 6.873 . 0 0 "[ ]" 1
435 1 29 MET QG 1 98 GLN H 5.000 . 8.000 6.043 6.043 6.043 . 0 0 "[ ]" 1
436 1 29 MET HB3 1 32 ALA H 5.000 . 7.000 4.941 4.941 4.941 . 0 0 "[ ]" 1
437 1 30 GLU H 1 31 LYS H 2.700 . 2.900 2.360 2.360 2.360 . 0 0 "[ ]" 1
438 1 30 GLU H 1 31 LYS QG 5.000 . 8.000 5.405 5.405 5.405 . 0 0 "[ ]" 1
439 1 30 GLU H 1 32 ALA H 3.000 . 3.500 3.839 3.839 3.839 0.339 1 0 "[ ]" 1
440 1 30 GLU H 1 100 LEU MD2 5.000 . 8.500 4.616 4.616 4.616 . 0 0 "[ ]" 1
441 1 30 GLU HA 1 31 LYS H 2.700 . 2.900 3.310 3.310 3.310 0.410 1 0 "[ ]" 1
442 1 30 GLU HA 1 33 GLY H 4.000 . 5.000 3.625 3.625 3.625 . 0 0 "[ ]" 1
443 1 30 GLU HA 1 102 ASP QB 4.000 . 6.000 4.273 4.273 4.273 . 0 0 "[ ]" 1
444 1 30 GLU QB 1 31 LYS H 4.000 . 6.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
445 1 30 GLU QB 1 31 LYS QG 5.000 . 9.000 5.148 5.148 5.148 . 0 0 "[ ]" 1
446 1 30 GLU QB 1 32 ALA H 5.000 . 8.000 4.914 4.914 4.914 . 0 0 "[ ]" 1
447 1 30 GLU QG 1 31 LYS H 5.000 . 8.000 3.151 3.151 3.151 . 0 0 "[ ]" 1
448 1 30 GLU QB 1 33 GLY H 5.000 . 8.000 5.185 5.185 5.185 . 0 0 "[ ]" 1
449 1 31 LYS H 1 31 LYS HA 2.700 . 2.900 2.956 2.956 2.956 0.056 1 0 "[ ]" 1
450 1 31 LYS H 1 31 LYS HG3 5.000 . 7.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
451 1 31 LYS H 1 31 LYS HG2 5.000 . 7.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
452 1 31 LYS H 1 31 LYS QG 4.000 . 6.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
453 1 31 LYS H 1 31 LYS QD 5.000 . 8.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
454 1 31 LYS H 1 32 ALA H 3.000 . 3.500 2.101 2.101 2.101 . 0 0 "[ ]" 1
455 1 31 LYS H 1 33 GLY H 3.000 . 3.500 3.762 3.762 3.762 0.262 1 0 "[ ]" 1
456 1 31 LYS HA 1 32 ALA H 3.000 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
457 1 31 LYS QB 1 32 ALA H 4.000 . 6.000 2.729 2.729 2.729 . 0 0 "[ ]" 1
458 1 31 LYS QB 1 33 GLY H 5.000 . 8.000 4.812 4.812 4.812 . 0 0 "[ ]" 1
459 1 31 LYS QG 1 32 ALA H 5.000 . 8.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
460 1 31 LYS QD 1 32 ALA H 5.000 . 8.000 4.857 4.857 4.857 . 0 0 "[ ]" 1
461 1 32 ALA HA 1 33 GLY H 3.000 . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
462 1 32 ALA HA 1 35 ASP H 4.000 . 5.000 4.895 4.895 4.895 . 0 0 "[ ]" 1
463 1 32 ALA MB 1 34 THR H 5.000 . 8.500 4.077 4.077 4.077 . 0 0 "[ ]" 1
464 1 32 ALA MB 1 35 ASP H 5.000 . 8.500 2.780 2.780 2.780 . 0 0 "[ ]" 1
465 1 32 ALA MB 1 35 ASP HA 4.000 . 6.500 2.831 2.831 2.831 . 0 0 "[ ]" 1
466 1 32 ALA MB 1 35 ASP HB2 5.000 . 8.500 4.278 4.278 4.278 . 0 0 "[ ]" 1
467 1 32 ALA MB 1 35 ASP HB3 4.000 . 6.500 4.648 4.648 4.648 . 0 0 "[ ]" 1
468 1 32 ALA MB 1 36 GLY H 4.000 . 6.500 4.434 4.434 4.434 . 0 0 "[ ]" 1
469 1 32 ALA H 1 35 ASP HA 5.000 . 7.000 6.355 6.355 6.355 . 0 0 "[ ]" 1
470 1 33 GLY H 1 34 THR H 4.000 . 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
471 1 33 GLY H 1 36 GLY H 5.000 . 7.000 5.946 5.946 5.946 . 0 0 "[ ]" 1
472 1 33 GLY H 1 36 GLY QA 5.000 . 8.000 7.349 7.349 7.349 . 0 0 "[ ]" 1
473 1 33 GLY H 1 98 GLN HB2 5.000 . 7.000 7.128 7.128 7.128 0.128 1 0 "[ ]" 1
474 1 33 GLY HA3 1 34 THR H 3.000 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1
475 1 33 GLY HA2 1 34 THR H 3.000 . 3.500 3.469 3.469 3.469 . 0 0 "[ ]" 1
476 1 33 GLY QA 1 34 THR H 2.700 . 3.900 2.219 2.219 2.219 . 0 0 "[ ]" 1
477 1 33 GLY QA 1 35 ASP H 5.000 . 8.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
478 1 33 GLY QA 1 99 ASP H 5.000 . 8.000 6.955 6.955 6.955 . 0 0 "[ ]" 1
479 1 33 GLY H 1 35 ASP HA 4.000 . 5.000 5.137 5.137 5.137 0.137 1 0 "[ ]" 1
480 1 33 GLY H 1 34 THR MG 5.000 . 8.500 6.202 6.202 6.202 . 0 0 "[ ]" 1
481 1 33 GLY H 1 100 LEU MD1 5.000 . 8.500 6.686 6.686 6.686 . 0 0 "[ ]" 1
482 1 34 THR H 1 35 ASP H 3.000 . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1
483 1 34 THR H 1 36 GLY H 4.000 . 5.000 3.091 3.091 3.091 . 0 0 "[ ]" 1
484 1 34 THR H 1 37 VAL MG2 4.000 . 6.500 5.664 5.664 5.664 . 0 0 "[ ]" 1
485 1 34 THR HA 1 34 THR HB 2.700 . 2.900 2.933 2.933 2.933 0.033 1 0 "[ ]" 1
486 1 34 THR HA 1 99 ASP HA 2.700 . 2.900 1.919 1.919 1.919 . 0 0 "[ ]" 1
487 1 34 THR HA 1 100 LEU H 3.000 . 3.500 3.801 3.801 3.801 0.301 1 0 "[ ]" 1
488 1 34 THR HB 1 35 ASP H 4.000 . 5.000 4.129 4.129 4.129 . 0 0 "[ ]" 1
489 1 34 THR HB 1 36 GLY H 4.000 . 5.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
490 1 34 THR MG 1 39 LEU H 5.000 . 8.500 7.472 7.472 7.472 . 0 0 "[ ]" 1
491 1 34 THR H 1 35 ASP HB2 5.000 . 7.000 4.930 4.930 4.930 . 0 0 "[ ]" 1
492 1 35 ASP H 1 35 ASP HB2 3.000 . 3.500 2.883 2.883 2.883 . 0 0 "[ ]" 1
493 1 35 ASP H 1 35 ASP HB3 4.000 . 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
494 1 35 ASP H 1 36 GLY H 2.700 . 2.900 2.921 2.921 2.921 0.021 1 0 "[ ]" 1
495 1 35 ASP H 1 36 GLY QA 5.000 . 8.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
496 1 35 ASP H 1 37 VAL MG2 5.000 . 8.500 4.672 4.672 4.672 . 0 0 "[ ]" 1
497 1 35 ASP H 1 97 GLY QA 4.000 . 6.000 5.013 5.013 5.013 . 0 0 "[ ]" 1
498 1 35 ASP H 1 98 GLN H 4.000 . 5.000 4.684 4.684 4.684 . 0 0 "[ ]" 1
499 1 35 ASP H 1 98 GLN HB2 5.000 . 7.000 4.424 4.424 4.424 . 0 0 "[ ]" 1
500 1 35 ASP H 1 99 ASP HA 4.000 . 5.000 4.128 4.128 4.128 . 0 0 "[ ]" 1
501 1 35 ASP HA 1 35 ASP HB3 2.700 . 2.900 2.698 2.698 2.698 . 0 0 "[ ]" 1
502 1 35 ASP HA 1 36 GLY H 3.000 . 3.500 2.706 2.706 2.706 . 0 0 "[ ]" 1
503 1 35 ASP HB2 1 36 GLY H 4.000 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
504 1 35 ASP HB3 1 36 GLY H 4.000 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
505 1 36 GLY H 1 37 VAL H 4.000 . 5.000 3.946 3.946 3.946 . 0 0 "[ ]" 1
506 1 36 GLY H 1 37 VAL MG2 5.000 . 8.500 3.178 3.178 3.178 . 0 0 "[ ]" 1
507 1 36 GLY H 1 96 VAL MG1 5.000 . 8.500 6.113 6.113 6.113 . 0 0 "[ ]" 1
508 1 36 GLY HA3 1 37 VAL H 3.000 . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 1
509 1 36 GLY HA2 1 37 VAL H 3.000 . 3.500 2.458 2.458 2.458 . 0 0 "[ ]" 1
510 1 36 GLY QA 1 97 GLY H 5.000 . 8.000 4.646 4.646 4.646 . 0 0 "[ ]" 1
511 1 36 GLY QA 1 98 GLN H 5.000 . 8.000 3.939 3.939 3.939 . 0 0 "[ ]" 1
512 1 37 VAL H 1 37 VAL HB 3.000 . 3.500 3.653 3.653 3.653 0.153 1 0 "[ ]" 1
513 1 37 VAL H 1 96 VAL H 3.000 . 3.500 3.611 3.611 3.611 0.111 1 0 "[ ]" 1
514 1 37 VAL H 1 96 VAL HB 5.000 . 7.000 5.531 5.531 5.531 . 0 0 "[ ]" 1
515 1 37 VAL H 1 96 VAL MG1 4.000 . 6.500 4.270 4.270 4.270 . 0 0 "[ ]" 1
516 1 37 VAL H 1 97 GLY QA 4.000 . 6.000 2.995 2.995 2.995 . 0 0 "[ ]" 1
517 1 37 VAL HA 1 37 VAL HB 2.700 . 2.900 2.743 2.743 2.743 . 0 0 "[ ]" 1
518 1 37 VAL HA 1 38 LYS H 3.000 . 3.500 2.863 2.863 2.863 . 0 0 "[ ]" 1
519 1 37 VAL HA 1 38 LYS QG 5.000 . 8.000 6.016 6.016 6.016 . 0 0 "[ ]" 1
520 1 37 VAL HA 1 95 THR MG 5.000 . 8.500 5.527 5.527 5.527 . 0 0 "[ ]" 1
521 1 37 VAL HB 1 38 LYS HA 4.000 . 5.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
522 1 37 VAL HB 1 39 LEU MD1 5.000 . 8.500 5.512 5.512 5.512 . 0 0 "[ ]" 1
523 1 37 VAL HB 1 96 VAL H 5.000 . 7.000 5.226 5.226 5.226 . 0 0 "[ ]" 1
524 1 37 VAL MG1 1 64 CYS H 5.000 . 8.500 7.085 7.085 7.085 . 0 0 "[ ]" 1
525 1 37 VAL MG1 1 67 PHE HA 5.000 . 8.500 4.424 4.424 4.424 . 0 0 "[ ]" 1
526 1 37 VAL MG1 1 69 CYS H 5.000 . 8.500 2.575 2.575 2.575 . 0 0 "[ ]" 1
527 1 37 VAL MG1 1 69 CYS HA 5.000 . 8.500 4.246 4.246 4.246 . 0 0 "[ ]" 1
528 1 37 VAL MG1 1 70 TYR HA 4.000 . 6.500 3.412 3.412 3.412 . 0 0 "[ ]" 1
529 1 37 VAL MG1 1 71 GLN H 5.000 . 8.500 3.662 3.662 3.662 . 0 0 "[ ]" 1
530 1 37 VAL MG1 1 71 GLN HA 4.000 . 6.500 5.021 5.021 5.021 . 0 0 "[ ]" 1
531 1 37 VAL MG1 1 72 TYR H 5.000 . 8.500 6.113 6.113 6.113 . 0 0 "[ ]" 1
532 1 37 VAL MG1 1 72 TYR QE 5.000 . 11.500 6.796 6.796 6.796 . 0 0 "[ ]" 1
533 1 37 VAL MG2 1 38 LYS H 5.000 . 8.500 3.518 3.518 3.518 . 0 0 "[ ]" 1
534 1 37 VAL MG2 1 67 PHE HZ 3.000 . 5.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
535 1 37 VAL MG2 1 96 VAL H 5.000 . 8.500 4.631 4.631 4.631 . 0 0 "[ ]" 1
536 1 37 VAL HB 1 71 GLN H 4.000 . 5.000 5.450 5.450 5.450 0.450 1 0 "[ ]" 1
537 1 37 VAL H 1 38 LYS H 5.000 . 7.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
538 1 37 VAL H 1 39 LEU QB 5.000 . 8.000 4.554 4.554 4.554 . 0 0 "[ ]" 1
539 1 37 VAL H 1 96 VAL HA 5.000 . 7.000 5.327 5.327 5.327 . 0 0 "[ ]" 1
540 1 37 VAL H 1 98 GLN HB2 5.000 . 7.000 5.167 5.167 5.167 . 0 0 "[ ]" 1
541 1 37 VAL HB 1 38 LYS H 5.000 . 7.000 1.822 1.822 1.822 . 0 0 "[ ]" 1
542 1 38 LYS H 1 39 LEU H 4.000 . 5.000 4.380 4.380 4.380 . 0 0 "[ ]" 1
543 1 38 LYS HA 1 39 LEU H 2.700 . 2.900 2.315 2.315 2.315 . 0 0 "[ ]" 1
544 1 38 LYS HA 1 95 THR HA 2.700 . 2.900 1.669 1.669 1.669 0.131 1 0 "[ ]" 1
545 1 38 LYS HA 1 95 THR MG 5.000 . 8.500 3.859 3.859 3.859 . 0 0 "[ ]" 1
546 1 38 LYS HA 1 96 VAL H 4.000 . 5.000 2.749 2.749 2.749 . 0 0 "[ ]" 1
547 1 38 LYS QB 1 95 THR HA 5.000 . 8.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
548 1 38 LYS QB 1 96 VAL H 5.000 . 8.000 4.702 4.702 4.702 . 0 0 "[ ]" 1
549 1 38 LYS HG3 1 39 LEU HB3 5.000 . 7.000 5.989 5.989 5.989 . 0 0 "[ ]" 1
550 1 38 LYS HG3 1 39 LEU HB2 5.000 . 7.000 6.162 6.162 6.162 . 0 0 "[ ]" 1
551 1 38 LYS HG2 1 39 LEU HB3 5.000 . 7.000 5.741 5.741 5.741 . 0 0 "[ ]" 1
552 1 38 LYS HG2 1 39 LEU HB2 5.000 . 7.000 5.765 5.765 5.765 . 0 0 "[ ]" 1
553 1 38 LYS QG 1 39 LEU H 5.000 . 8.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
554 1 38 LYS QG 1 39 LEU QB 4.000 . 7.000 4.681 4.681 4.681 . 0 0 "[ ]" 1
555 1 39 LEU H 1 39 LEU HB3 3.000 . 3.500 2.637 2.637 2.637 . 0 0 "[ ]" 1
556 1 39 LEU H 1 39 LEU HB2 3.000 . 3.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
557 1 39 LEU H 1 39 LEU QB 3.000 . 4.500 2.280 2.280 2.280 . 0 0 "[ ]" 1
558 1 39 LEU H 1 39 LEU HG 4.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
559 1 39 LEU H 1 39 LEU MD1 5.000 . 8.500 4.123 4.123 4.123 . 0 0 "[ ]" 1
560 1 39 LEU H 1 71 GLN HB3 5.000 . 7.000 5.404 5.404 5.404 . 0 0 "[ ]" 1
561 1 39 LEU H 1 94 VAL MG2 5.000 . 8.500 4.753 4.753 4.753 . 0 0 "[ ]" 1
562 1 39 LEU H 1 95 THR HA 3.000 . 3.500 1.904 1.904 1.904 . 0 0 "[ ]" 1
563 1 39 LEU H 1 96 VAL HB 5.000 . 7.000 2.616 2.616 2.616 . 0 0 "[ ]" 1
564 1 39 LEU H 1 96 VAL MG1 5.000 . 8.500 3.790 3.790 3.790 . 0 0 "[ ]" 1
565 1 39 LEU HA 1 39 LEU MD2 4.000 . 6.500 3.647 3.647 3.647 . 0 0 "[ ]" 1
566 1 39 LEU HA 1 40 PRO HD3 3.000 . 3.500 2.525 2.525 2.525 . 0 0 "[ ]" 1
567 1 39 LEU HA 1 40 PRO HD2 3.000 . 3.500 1.981 1.981 1.981 . 0 0 "[ ]" 1
568 1 39 LEU HA 1 40 PRO QD 2.700 . 3.900 1.913 1.913 1.913 . 0 0 "[ ]" 1
569 1 39 LEU HB3 1 40 PRO HD3 5.000 . 7.000 5.056 5.056 5.056 . 0 0 "[ ]" 1
570 1 39 LEU HB3 1 40 PRO HD2 5.000 . 7.000 4.584 4.584 4.584 . 0 0 "[ ]" 1
571 1 39 LEU HB2 1 40 PRO HD3 5.000 . 7.000 4.986 4.986 4.986 . 0 0 "[ ]" 1
572 1 39 LEU HB2 1 40 PRO HD2 5.000 . 7.000 4.473 4.473 4.473 . 0 0 "[ ]" 1
573 1 39 LEU QB 1 40 PRO QD 4.000 . 7.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
574 1 39 LEU HG 1 94 VAL H 5.000 . 7.000 7.038 7.038 7.038 0.038 1 0 "[ ]" 1
575 1 39 LEU H 1 40 PRO QD 5.000 . 8.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
576 1 39 LEU H 1 94 VAL HA 5.000 . 7.000 5.745 5.745 5.745 . 0 0 "[ ]" 1
577 1 39 LEU MD2 1 93 THR H 5.000 . 8.500 7.001 7.001 7.001 . 0 0 "[ ]" 1
578 1 40 PRO HA 1 41 ALA H 2.700 . 2.900 2.725 2.725 2.725 . 0 0 "[ ]" 1
579 1 40 PRO HA 1 42 SER H 4.000 . 5.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
580 1 40 PRO HB3 1 42 SER H 4.000 . 5.000 4.774 4.774 4.774 . 0 0 "[ ]" 1
581 1 40 PRO HB2 1 42 SER H 4.000 . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
582 1 40 PRO QB 1 41 ALA H 4.000 . 6.000 1.952 1.952 1.952 . 0 0 "[ ]" 1
583 1 40 PRO QB 1 41 ALA HA 3.000 . 4.500 3.942 3.942 3.942 . 0 0 "[ ]" 1
584 1 40 PRO QB 1 42 SER H 4.000 . 6.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
585 1 40 PRO QG 1 42 SER H 5.000 . 8.000 5.123 5.123 5.123 . 0 0 "[ ]" 1
586 1 40 PRO QD 1 41 ALA H 5.000 . 8.000 4.764 4.764 4.764 . 0 0 "[ ]" 1
587 1 41 ALA H 1 42 SER H 4.000 . 5.000 2.007 2.007 2.007 . 0 0 "[ ]" 1
588 1 41 ALA HA 1 44 ARG H 4.000 . 5.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
589 1 41 ALA HA 1 44 ARG HB3 3.000 . 3.500 3.291 3.291 3.291 . 0 0 "[ ]" 1
590 1 41 ALA MB 1 42 SER HA 5.000 . 8.500 3.878 3.878 3.878 . 0 0 "[ ]" 1
591 1 41 ALA MB 1 45 SER H 5.000 . 8.500 5.206 5.206 5.206 . 0 0 "[ ]" 1
592 1 41 ALA MB 1 94 VAL H 5.000 . 8.500 4.625 4.625 4.625 . 0 0 "[ ]" 1
593 1 42 SER H 1 43 ALA MB 5.000 . 8.500 5.097 5.097 5.097 . 0 0 "[ ]" 1
594 1 42 SER HA 1 42 SER HB3 2.700 . 2.900 2.376 2.376 2.376 . 0 0 "[ ]" 1
595 1 42 SER HA 1 42 SER HB2 2.700 . 2.900 2.605 2.605 2.605 . 0 0 "[ ]" 1
596 1 42 SER H 1 43 ALA HA 5.000 . 7.000 6.243 6.243 6.243 . 0 0 "[ ]" 1
597 1 42 SER H 1 44 ARG HB3 5.000 . 7.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
598 1 43 ALA H 1 44 ARG HB2 4.000 . 5.000 4.744 4.744 4.744 . 0 0 "[ ]" 1
599 1 43 ALA HA 1 44 ARG H 2.700 . 2.900 2.793 2.793 2.793 . 0 0 "[ ]" 1
600 1 44 ARG H 1 44 ARG HB3 4.000 . 5.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
601 1 44 ARG H 1 44 ARG HB2 4.000 . 5.000 3.119 3.119 3.119 . 0 0 "[ ]" 1
602 1 44 ARG H 1 45 SER H 2.700 . 2.900 2.559 2.559 2.559 . 0 0 "[ ]" 1
603 1 44 ARG HA 1 44 ARG HB2 2.700 . 2.900 2.758 2.758 2.758 . 0 0 "[ ]" 1
604 1 44 ARG HA 1 44 ARG QD 4.000 . 6.000 3.076 3.076 3.076 . 0 0 "[ ]" 1
605 1 44 ARG HB2 1 45 SER H 4.000 . 5.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
606 1 44 ARG QG 1 45 SER H 5.000 . 8.000 4.252 4.252 4.252 . 0 0 "[ ]" 1
607 1 44 ARG QD 1 45 SER H 5.000 . 8.000 5.395 5.395 5.395 . 0 0 "[ ]" 1
608 1 44 ARG H 1 44 ARG QD 5.000 . 8.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
609 1 45 SER H 1 45 SER HB3 3.000 . 3.500 3.216 3.216 3.216 . 0 0 "[ ]" 1
610 1 45 SER H 1 45 SER HB2 3.000 . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1
611 1 45 SER HA 1 46 PHE H 3.000 . 3.500 3.138 3.138 3.138 . 0 0 "[ ]" 1
612 1 45 SER HB3 1 46 PHE H 3.000 . 3.500 1.833 1.833 1.833 . 0 0 "[ ]" 1
613 1 45 SER HB2 1 46 PHE H 3.000 . 3.500 3.463 3.463 3.463 . 0 0 "[ ]" 1
614 1 45 SER QB 1 46 PHE H 2.700 . 3.900 1.826 1.826 1.826 . 0 0 "[ ]" 1
615 1 45 SER QB 1 90 PRO QG 5.000 . 9.000 6.380 6.380 6.380 . 0 0 "[ ]" 1
616 1 46 PHE H 1 47 ALA H 4.000 . 5.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
617 1 46 PHE H 1 47 ALA HA 4.000 . 5.000 4.720 4.720 4.720 . 0 0 "[ ]" 1
618 1 46 PHE H 1 88 PRO QG 5.000 . 8.000 6.547 6.547 6.547 . 0 0 "[ ]" 1
619 1 46 PHE H 1 89 SER H 4.000 . 5.000 3.311 3.311 3.311 . 0 0 "[ ]" 1
620 1 46 PHE H 1 89 SER HA 4.000 . 5.000 5.149 5.149 5.149 0.149 1 0 "[ ]" 1
621 1 46 PHE HA 1 46 PHE HB3 2.700 . 2.900 2.438 2.438 2.438 . 0 0 "[ ]" 1
622 1 46 PHE HA 1 46 PHE HB2 2.700 . 2.900 2.480 2.480 2.480 . 0 0 "[ ]" 1
623 1 46 PHE HA 1 46 PHE QE 5.000 . 10.000 5.664 5.664 5.664 . 0 0 "[ ]" 1
624 1 46 PHE HA 1 47 ALA H 2.700 . 2.900 2.487 2.487 2.487 . 0 0 "[ ]" 1
625 1 46 PHE HB3 1 47 ALA H 3.000 . 3.500 3.617 3.617 3.617 0.117 1 0 "[ ]" 1
626 1 46 PHE HB2 1 47 ALA H 3.000 . 3.500 2.218 2.218 2.218 . 0 0 "[ ]" 1
627 1 46 PHE HZ 1 52 PHE HB3 4.000 . 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 1
628 1 46 PHE HZ 1 52 PHE HB2 4.000 . 5.000 4.370 4.370 4.370 . 0 0 "[ ]" 1
629 1 47 ALA H 1 49 GLY H 4.000 . 5.000 5.095 5.095 5.095 0.095 1 0 "[ ]" 1
630 1 47 ALA HA 1 48 ASN H 2.700 . 2.900 2.258 2.258 2.258 . 0 0 "[ ]" 1
631 1 47 ALA HA 1 88 PRO HA 2.700 . 2.900 2.145 2.145 2.145 . 0 0 "[ ]" 1
632 1 47 ALA HA 1 88 PRO HB3 4.000 . 5.000 4.161 4.161 4.161 . 0 0 "[ ]" 1
633 1 47 ALA HA 1 88 PRO HB2 4.000 . 5.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
634 1 47 ALA HA 1 88 PRO QB 4.000 . 6.000 3.939 3.939 3.939 . 0 0 "[ ]" 1
635 1 47 ALA HA 1 88 PRO QG 5.000 . 8.000 5.234 5.234 5.234 . 0 0 "[ ]" 1
636 1 47 ALA HA 1 89 SER H 4.000 . 5.000 2.744 2.744 2.744 . 0 0 "[ ]" 1
637 1 47 ALA MB 1 48 ASN HA 5.000 . 8.500 4.308 4.308 4.308 . 0 0 "[ ]" 1
638 1 47 ALA MB 1 49 GLY H 5.000 . 8.500 3.655 3.655 3.655 . 0 0 "[ ]" 1
639 1 47 ALA H 1 48 ASN H 5.000 . 7.000 4.533 4.533 4.533 . 0 0 "[ ]" 1
640 1 47 ALA HA 1 49 GLY H 5.000 . 7.000 5.018 5.018 5.018 . 0 0 "[ ]" 1
641 1 48 ASN H 1 48 ASN HB3 4.000 . 5.000 3.013 3.013 3.013 . 0 0 "[ ]" 1
642 1 48 ASN H 1 48 ASN HB2 3.000 . 3.500 2.092 2.092 2.092 . 0 0 "[ ]" 1
643 1 48 ASN H 1 49 GLY H 4.000 . 5.000 3.864 3.864 3.864 . 0 0 "[ ]" 1
644 1 48 ASN H 1 87 LEU H 4.000 . 5.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
645 1 48 ASN H 1 88 PRO HA 3.000 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
646 1 48 ASN H 1 88 PRO QG 5.000 . 8.000 5.775 5.775 5.775 . 0 0 "[ ]" 1
647 1 48 ASN HA 1 48 ASN HB3 2.700 . 2.900 2.924 2.924 2.924 0.024 1 0 "[ ]" 1
648 1 48 ASN HA 1 49 GLY H 2.700 . 2.900 2.492 2.492 2.492 . 0 0 "[ ]" 1
649 1 48 ASN HA 1 100 LEU MD2 4.000 . 6.500 5.016 5.016 5.016 . 0 0 "[ ]" 1
650 1 48 ASN HB3 1 49 GLY H 4.000 . 5.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
651 1 48 ASN HB3 1 52 PHE H 4.000 . 5.000 5.097 5.097 5.097 0.097 1 0 "[ ]" 1
652 1 48 ASN HB2 1 54 LEU MD2 5.000 . 8.500 6.474 6.474 6.474 . 0 0 "[ ]" 1
653 1 48 ASN HB2 1 81 GLY H 5.000 . 7.000 5.143 5.143 5.143 . 0 0 "[ ]" 1
654 1 48 ASN HD21 1 54 LEU H 5.000 . 7.000 7.057 7.057 7.057 0.057 1 0 "[ ]" 1
655 1 48 ASN HD21 1 81 GLY HA3 5.000 . 7.000 3.174 3.174 3.174 . 0 0 "[ ]" 1
656 1 48 ASN HD21 1 81 GLY HA2 5.000 . 7.000 2.372 2.372 2.372 . 0 0 "[ ]" 1
657 1 48 ASN HD22 1 54 LEU H 5.000 . 7.000 5.537 5.537 5.537 . 0 0 "[ ]" 1
658 1 48 ASN HD22 1 81 GLY HA3 5.000 . 7.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
659 1 48 ASN HD22 1 81 GLY HA2 5.000 . 7.000 2.270 2.270 2.270 . 0 0 "[ ]" 1
660 1 48 ASN QD 1 53 THR HA 5.000 . 8.000 6.810 6.810 6.810 . 0 0 "[ ]" 1
661 1 48 ASN QD 1 54 LEU H 4.000 . 6.000 5.347 5.347 5.347 . 0 0 "[ ]" 1
662 1 48 ASN QD 1 54 LEU HB2 5.000 . 8.000 4.656 4.656 4.656 . 0 0 "[ ]" 1
663 1 48 ASN QD 1 54 LEU HG 5.000 . 8.000 6.100 6.100 6.100 . 0 0 "[ ]" 1
664 1 48 ASN QD 1 54 LEU MD2 5.000 . 9.500 3.814 3.814 3.814 . 0 0 "[ ]" 1
665 1 48 ASN QD 1 78 VAL MG1 5.000 . 9.500 6.528 6.528 6.528 . 0 0 "[ ]" 1
666 1 48 ASN QD 1 80 PRO HA 4.000 . 6.000 5.288 5.288 5.288 . 0 0 "[ ]" 1
667 1 48 ASN QD 1 80 PRO QB 5.000 . 9.000 6.147 6.147 6.147 . 0 0 "[ ]" 1
668 1 48 ASN QD 1 81 GLY H 5.000 . 8.000 3.219 3.219 3.219 . 0 0 "[ ]" 1
669 1 48 ASN QD 1 82 ALA H 5.000 . 8.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
670 1 48 ASN QD 1 100 LEU MD2 5.000 . 9.500 6.402 6.402 6.402 . 0 0 "[ ]" 1
671 1 48 ASN HB2 1 49 GLY H 4.000 . 5.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
672 1 48 ASN H 1 48 ASN QD 5.000 . 8.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
673 1 48 ASN HB3 1 50 THR H 5.000 . 7.000 3.251 3.251 3.251 . 0 0 "[ ]" 1
674 1 48 ASN QD 1 49 GLY H 5.000 . 8.000 5.619 5.619 5.619 . 0 0 "[ ]" 1
675 1 48 ASN QD 1 50 THR H 5.000 . 8.000 5.292 5.292 5.292 . 0 0 "[ ]" 1
676 1 48 ASN QD 1 52 PHE H 5.000 . 8.000 4.486 4.486 4.486 . 0 0 "[ ]" 1
677 1 48 ASN QD 1 81 GLY QA 5.000 . 9.000 2.029 2.029 2.029 . 0 0 "[ ]" 1
678 1 48 ASN QD 1 90 PRO HA 5.000 . 8.000 7.090 7.090 7.090 . 0 0 "[ ]" 1
679 1 49 GLY H 1 50 THR H 3.000 . 3.500 3.371 3.371 3.371 . 0 0 "[ ]" 1
680 1 49 GLY H 1 50 THR MG 5.000 . 8.500 4.935 4.935 4.935 . 0 0 "[ ]" 1
681 1 49 GLY QA 1 86 SER HA 4.000 . 6.000 2.937 2.937 2.937 . 0 0 "[ ]" 1
682 1 49 GLY QA 1 87 LEU H 4.000 . 6.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
683 1 49 GLY H 1 100 LEU MD1 5.000 . 8.500 4.630 4.630 4.630 . 0 0 "[ ]" 1
684 1 50 THR H 1 50 THR MG 4.000 . 6.500 3.827 3.827 3.827 . 0 0 "[ ]" 1
685 1 50 THR H 1 52 PHE H 4.000 . 5.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
686 1 50 THR H 1 86 SER HA 4.000 . 5.000 3.162 3.162 3.162 . 0 0 "[ ]" 1
687 1 50 THR H 1 100 LEU MD1 5.000 . 8.500 4.858 4.858 4.858 . 0 0 "[ ]" 1
688 1 50 THR HA 1 51 HIS H 2.700 . 2.900 2.722 2.722 2.722 . 0 0 "[ ]" 1
689 1 50 THR HA 1 52 PHE H 4.000 . 5.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
690 1 50 THR HB 1 52 PHE H 3.000 . 3.500 2.524 2.524 2.524 . 0 0 "[ ]" 1
691 1 50 THR HB 1 53 THR H 4.000 . 5.000 5.134 5.134 5.134 0.134 1 0 "[ ]" 1
692 1 50 THR MG 1 51 HIS H 5.000 . 8.500 2.952 2.952 2.952 . 0 0 "[ ]" 1
693 1 50 THR H 1 80 PRO QB 5.000 . 8.000 6.649 6.649 6.649 . 0 0 "[ ]" 1
694 1 51 HIS H 1 52 PHE H 2.700 . 2.900 2.784 2.784 2.784 . 0 0 "[ ]" 1
695 1 51 HIS H 1 52 PHE QB 4.000 . 6.000 4.699 4.699 4.699 . 0 0 "[ ]" 1
696 1 51 HIS H 1 80 PRO QB 5.000 . 8.000 5.654 5.654 5.654 . 0 0 "[ ]" 1
697 1 51 HIS H 1 100 LEU HG 4.000 . 5.000 5.065 5.065 5.065 0.065 1 0 "[ ]" 1
698 1 51 HIS HA 1 51 HIS HB3 2.700 . 2.900 2.561 2.561 2.561 . 0 0 "[ ]" 1
699 1 51 HIS HA 1 51 HIS HB2 2.700 . 2.900 2.427 2.427 2.427 . 0 0 "[ ]" 1
700 1 51 HIS HA 1 52 PHE H 3.000 . 3.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
701 1 51 HIS HA 1 80 PRO HB3 4.000 . 5.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
702 1 51 HIS HA 1 80 PRO HB2 4.000 . 5.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
703 1 51 HIS HA 1 80 PRO QB 4.000 . 6.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
704 1 51 HIS QB 1 52 PHE H 4.000 . 6.000 4.035 4.035 4.035 . 0 0 "[ ]" 1
705 1 51 HIS HD2 1 52 PHE H 4.000 . 5.000 4.597 4.597 4.597 . 0 0 "[ ]" 1
706 1 51 HIS HD2 1 52 PHE QD 5.000 . 9.000 4.749 4.749 4.749 . 0 0 "[ ]" 1
707 1 51 HIS HD2 1 53 THR H 5.000 . 7.000 2.086 2.086 2.086 . 0 0 "[ ]" 1
708 1 51 HIS HD2 1 53 THR HA 2.700 . 2.900 3.074 3.074 3.074 0.174 1 0 "[ ]" 1
709 1 51 HIS HD2 1 98 GLN HE21 5.000 . 7.000 6.837 6.837 6.837 . 0 0 "[ ]" 1
710 1 51 HIS HD2 1 98 GLN HE22 5.000 . 7.000 6.303 6.303 6.303 . 0 0 "[ ]" 1
711 1 51 HIS HD2 1 99 ASP H 5.000 . 7.000 5.814 5.814 5.814 . 0 0 "[ ]" 1
712 1 51 HIS HE1 1 100 LEU H 5.000 . 7.000 7.034 7.034 7.034 0.034 1 0 "[ ]" 1
713 1 51 HIS HE1 1 101 GLY H 4.000 . 5.000 4.228 4.228 4.228 . 0 0 "[ ]" 1
714 1 51 HIS H 1 51 HIS HD2 5.000 . 7.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
715 1 51 HIS H 1 86 SER HA 5.000 . 7.000 7.032 7.032 7.032 0.032 1 0 "[ ]" 1
716 1 51 HIS HA 1 81 GLY H 5.000 . 7.000 3.046 3.046 3.046 . 0 0 "[ ]" 1
717 1 51 HIS HD2 1 100 LEU H 5.000 . 7.000 7.092 7.092 7.092 0.092 1 0 "[ ]" 1
718 1 51 HIS HD2 1 101 GLY H 5.000 . 7.000 5.414 5.414 5.414 . 0 0 "[ ]" 1
719 1 52 PHE H 1 52 PHE QE 5.000 . 10.000 5.133 5.133 5.133 . 0 0 "[ ]" 1
720 1 52 PHE H 1 100 LEU HG 5.000 . 7.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
721 1 52 PHE H 1 100 LEU MD1 4.000 . 6.500 2.810 2.810 2.810 . 0 0 "[ ]" 1
722 1 52 PHE H 1 100 LEU MD2 5.000 . 8.500 5.069 5.069 5.069 . 0 0 "[ ]" 1
723 1 52 PHE HA 1 52 PHE HB3 2.700 . 2.900 2.599 2.599 2.599 . 0 0 "[ ]" 1
724 1 52 PHE HA 1 52 PHE HB2 2.700 . 2.900 2.321 2.321 2.321 . 0 0 "[ ]" 1
725 1 52 PHE HA 1 53 THR H 2.700 . 2.900 2.605 2.605 2.605 . 0 0 "[ ]" 1
726 1 52 PHE HA 1 100 LEU HA 3.000 . 3.500 2.723 2.723 2.723 . 0 0 "[ ]" 1
727 1 52 PHE HA 1 100 LEU HG 4.000 . 5.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
728 1 52 PHE HB3 1 53 THR H 4.000 . 5.000 4.692 4.692 4.692 . 0 0 "[ ]" 1
729 1 52 PHE HB3 1 100 LEU HB2 4.000 . 5.000 5.250 5.250 5.250 0.250 1 0 "[ ]" 1
730 1 52 PHE HB3 1 100 LEU MD1 5.000 . 8.500 2.177 2.177 2.177 . 0 0 "[ ]" 1
731 1 52 PHE HB2 1 53 THR H 4.000 . 5.000 4.475 4.475 4.475 . 0 0 "[ ]" 1
732 1 52 PHE HB2 1 100 LEU HB2 4.000 . 5.000 4.430 4.430 4.430 . 0 0 "[ ]" 1
733 1 52 PHE HB2 1 100 LEU MD1 5.000 . 8.500 2.094 2.094 2.094 . 0 0 "[ ]" 1
734 1 52 PHE QB 1 53 THR H 4.000 . 6.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
735 1 52 PHE QB 1 99 ASP H 5.000 . 8.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
736 1 52 PHE QB 1 100 LEU HB2 4.000 . 6.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
737 1 52 PHE QB 1 100 LEU HG 5.000 . 8.000 4.035 4.035 4.035 . 0 0 "[ ]" 1
738 1 52 PHE QB 1 100 LEU MD1 5.000 . 9.500 1.900 1.900 1.900 . 0 0 "[ ]" 1
739 1 52 PHE QD 1 100 LEU MD1 5.000 . 10.500 3.539 3.539 3.539 . 0 0 "[ ]" 1
740 1 52 PHE QE 1 54 LEU MD1 5.000 . 11.500 3.908 3.908 3.908 . 0 0 "[ ]" 1
741 1 52 PHE QE 1 56 TYR QD 5.000 . 12.000 6.430 6.430 6.430 . 0 0 "[ ]" 1
742 1 52 PHE QE 1 78 VAL MG1 5.000 . 11.500 4.890 4.890 4.890 . 0 0 "[ ]" 1
743 1 52 PHE HZ 1 54 LEU HB2 2.700 . 2.900 2.982 2.982 2.982 0.082 1 0 "[ ]" 1
744 1 52 PHE HZ 1 54 LEU MD1 3.000 . 5.000 3.716 3.716 3.716 . 0 0 "[ ]" 1
745 1 52 PHE HZ 1 81 GLY QA 4.000 . 6.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
746 1 52 PHE HZ 1 90 PRO QG 4.000 . 6.000 5.428 5.428 5.428 . 0 0 "[ ]" 1
747 1 52 PHE H 1 52 PHE HZ 5.000 . 7.000 6.866 6.866 6.866 . 0 0 "[ ]" 1
748 1 52 PHE H 1 100 LEU HB2 5.000 . 7.000 5.999 5.999 5.999 . 0 0 "[ ]" 1
749 1 52 PHE QD 1 100 LEU H 5.000 . 9.000 6.876 6.876 6.876 . 0 0 "[ ]" 1
750 1 52 PHE HZ 1 98 GLN QE 5.000 . 8.000 4.643 4.643 4.643 . 0 0 "[ ]" 1
751 1 53 THR H 1 53 THR HB 3.000 . 3.500 2.638 2.638 2.638 . 0 0 "[ ]" 1
752 1 53 THR H 1 54 LEU MD2 5.000 . 8.500 6.720 6.720 6.720 . 0 0 "[ ]" 1
753 1 53 THR H 1 99 ASP H 4.000 . 5.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
754 1 53 THR H 1 99 ASP HB3 5.000 . 7.000 4.018 4.018 4.018 . 0 0 "[ ]" 1
755 1 53 THR H 1 99 ASP HB2 5.000 . 7.000 5.484 5.484 5.484 . 0 0 "[ ]" 1
756 1 53 THR H 1 100 LEU HA 4.000 . 5.000 4.241 4.241 4.241 . 0 0 "[ ]" 1
757 1 53 THR H 1 100 LEU HB2 5.000 . 7.000 6.168 6.168 6.168 . 0 0 "[ ]" 1
758 1 53 THR HA 1 53 THR HB 2.700 . 2.900 3.000 3.000 3.000 0.100 1 0 "[ ]" 1
759 1 53 THR HA 1 54 LEU H 2.700 . 2.900 2.497 2.497 2.497 . 0 0 "[ ]" 1
760 1 53 THR HA 1 79 ALA HA 2.700 . 2.900 1.932 1.932 1.932 . 0 0 "[ ]" 1
761 1 53 THR HA 1 79 ALA MB 5.000 . 8.500 2.922 2.922 2.922 . 0 0 "[ ]" 1
762 1 53 THR HB 1 54 LEU H 4.000 . 5.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
763 1 53 THR HB 1 99 ASP H 5.000 . 7.000 2.818 2.818 2.818 . 0 0 "[ ]" 1
764 1 53 THR HB 1 99 ASP HB3 4.000 . 5.000 1.676 1.676 1.676 0.124 1 0 "[ ]" 1
765 1 53 THR HB 1 99 ASP HB2 4.000 . 5.000 3.271 3.271 3.271 . 0 0 "[ ]" 1
766 1 53 THR MG 1 54 LEU H 4.000 . 6.500 3.662 3.662 3.662 . 0 0 "[ ]" 1
767 1 53 THR MG 1 79 ALA H 5.000 . 8.500 5.136 5.136 5.136 . 0 0 "[ ]" 1
768 1 53 THR MG 1 79 ALA HA 4.000 . 6.500 3.730 3.730 3.730 . 0 0 "[ ]" 1
769 1 53 THR MG 1 99 ASP H 5.000 . 8.500 3.748 3.748 3.748 . 0 0 "[ ]" 1
770 1 53 THR MG 1 99 ASP HB3 4.000 . 6.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
771 1 53 THR MG 1 99 ASP HB2 4.000 . 6.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
772 1 53 THR H 1 54 LEU HA 5.000 . 7.000 5.525 5.525 5.525 . 0 0 "[ ]" 1
773 1 53 THR MG 1 102 ASP H 5.000 . 8.500 7.106 7.106 7.106 . 0 0 "[ ]" 1
774 1 54 LEU H 1 54 LEU HB3 3.000 . 3.500 2.038 2.038 2.038 . 0 0 "[ ]" 1
775 1 54 LEU H 1 54 LEU HB2 3.000 . 3.500 3.383 3.383 3.383 . 0 0 "[ ]" 1
776 1 54 LEU H 1 54 LEU HG 4.000 . 5.000 3.185 3.185 3.185 . 0 0 "[ ]" 1
777 1 54 LEU H 1 54 LEU MD2 5.000 . 8.500 3.625 3.625 3.625 . 0 0 "[ ]" 1
778 1 54 LEU H 1 55 ARG H 4.000 . 5.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
779 1 54 LEU H 1 55 ARG HA 4.000 . 5.000 5.253 5.253 5.253 0.253 1 0 "[ ]" 1
780 1 54 LEU H 1 78 VAL H 3.000 . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 1
781 1 54 LEU H 1 78 VAL HB 4.000 . 5.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
782 1 54 LEU H 1 78 VAL MG1 5.000 . 8.500 5.695 5.695 5.695 . 0 0 "[ ]" 1
783 1 54 LEU H 1 80 PRO QD 5.000 . 8.000 5.165 5.165 5.165 . 0 0 "[ ]" 1
784 1 54 LEU H 1 99 ASP HB3 5.000 . 7.000 5.482 5.482 5.482 . 0 0 "[ ]" 1
785 1 54 LEU HA 1 54 LEU HB3 2.700 . 2.900 2.790 2.790 2.790 . 0 0 "[ ]" 1
786 1 54 LEU HA 1 54 LEU HG 4.000 . 5.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
787 1 54 LEU HA 1 54 LEU MD1 4.000 . 6.500 3.002 3.002 3.002 . 0 0 "[ ]" 1
788 1 54 LEU HA 1 55 ARG H 2.700 . 2.900 2.187 2.187 2.187 . 0 0 "[ ]" 1
789 1 54 LEU HA 1 78 VAL H 4.000 . 5.000 4.577 4.577 4.577 . 0 0 "[ ]" 1
790 1 54 LEU HA 1 97 GLY H 4.000 . 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
791 1 54 LEU HA 1 98 GLN HA 2.700 . 2.900 2.823 2.823 2.823 . 0 0 "[ ]" 1
792 1 54 LEU HA 1 99 ASP H 3.000 . 3.500 3.588 3.588 3.588 0.088 1 0 "[ ]" 1
793 1 54 LEU HB3 1 55 ARG H 4.000 . 5.000 4.666 4.666 4.666 . 0 0 "[ ]" 1
794 1 54 LEU HB3 1 56 TYR QD 5.000 . 9.000 5.444 5.444 5.444 . 0 0 "[ ]" 1
795 1 54 LEU HB3 1 78 VAL HB 4.000 . 5.000 4.059 4.059 4.059 . 0 0 "[ ]" 1
796 1 54 LEU HB3 1 82 ALA H 5.000 . 7.000 4.538 4.538 4.538 . 0 0 "[ ]" 1
797 1 54 LEU HB3 1 96 VAL MG2 4.000 . 6.500 4.476 4.476 4.476 . 0 0 "[ ]" 1
798 1 54 LEU HB2 1 55 ARG H 4.000 . 5.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
799 1 54 LEU HB2 1 78 VAL HB 4.000 . 5.000 5.067 5.067 5.067 0.067 1 0 "[ ]" 1
800 1 54 LEU HB2 1 96 VAL MG2 5.000 . 8.500 3.105 3.105 3.105 . 0 0 "[ ]" 1
801 1 54 LEU HG 1 79 ALA H 5.000 . 7.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
802 1 54 LEU MD1 1 55 ARG H 5.000 . 8.500 3.513 3.513 3.513 . 0 0 "[ ]" 1
803 1 54 LEU MD1 1 56 TYR QD 5.000 . 10.500 1.750 1.750 1.750 . 0 0 "[ ]" 1
804 1 54 LEU MD1 1 78 VAL H 5.000 . 8.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
805 1 54 LEU MD1 1 91 GLY H 5.000 . 8.500 6.855 6.855 6.855 . 0 0 "[ ]" 1
806 1 54 LEU MD1 1 96 VAL HB 5.000 . 8.500 4.199 4.199 4.199 . 0 0 "[ ]" 1
807 1 54 LEU MD1 1 97 GLY H 5.000 . 8.500 4.066 4.066 4.066 . 0 0 "[ ]" 1
808 1 54 LEU MD1 1 98 GLN H 5.000 . 8.500 5.673 5.673 5.673 . 0 0 "[ ]" 1
809 1 54 LEU MD2 1 56 TYR QD 5.000 . 10.500 3.663 3.663 3.663 . 0 0 "[ ]" 1
810 1 54 LEU MD2 1 56 TYR QE 5.000 . 11.500 4.116 4.116 4.116 . 0 0 "[ ]" 1
811 1 54 LEU MD2 1 78 VAL HB 5.000 . 8.500 2.063 2.063 2.063 . 0 0 "[ ]" 1
812 1 54 LEU H 1 77 LYS HA 5.000 . 7.000 5.205 5.205 5.205 . 0 0 "[ ]" 1
813 1 54 LEU HB3 1 78 VAL H 5.000 . 7.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
814 1 54 LEU HG 1 78 VAL H 5.000 . 7.000 1.824 1.824 1.824 . 0 0 "[ ]" 1
815 1 54 LEU MD2 1 89 SER H 5.000 . 8.500 7.133 7.133 7.133 . 0 0 "[ ]" 1
816 1 55 ARG H 1 55 ARG HB3 3.000 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 1
817 1 55 ARG H 1 55 ARG HB2 4.000 . 5.000 2.181 2.181 2.181 . 0 0 "[ ]" 1
818 1 55 ARG H 1 96 VAL MG2 5.000 . 8.500 3.819 3.819 3.819 . 0 0 "[ ]" 1
819 1 55 ARG H 1 97 GLY H 4.000 . 5.000 2.676 2.676 2.676 . 0 0 "[ ]" 1
820 1 55 ARG H 1 98 GLN HA 4.000 . 5.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
821 1 55 ARG H 1 99 ASP H 4.000 . 5.000 4.407 4.407 4.407 . 0 0 "[ ]" 1
822 1 55 ARG HA 1 55 ARG HB2 2.700 . 2.900 3.016 3.016 3.016 0.116 1 0 "[ ]" 1
823 1 55 ARG HA 1 56 TYR H 2.700 . 2.900 2.330 2.330 2.330 . 0 0 "[ ]" 1
824 1 55 ARG HA 1 56 TYR QD 5.000 . 9.000 3.706 3.706 3.706 . 0 0 "[ ]" 1
825 1 55 ARG HA 1 74 THR MG 5.000 . 8.500 5.217 5.217 5.217 . 0 0 "[ ]" 1
826 1 55 ARG HA 1 76 GLY H 4.000 . 5.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
827 1 55 ARG HA 1 77 LYS HA 2.700 . 2.900 2.126 2.126 2.126 . 0 0 "[ ]" 1
828 1 55 ARG HA 1 77 LYS HB3 4.000 . 5.000 1.950 1.950 1.950 . 0 0 "[ ]" 1
829 1 55 ARG HA 1 77 LYS QG 4.000 . 6.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
830 1 55 ARG HA 1 78 VAL H 4.000 . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
831 1 55 ARG HB3 1 56 TYR H 4.000 . 5.000 3.985 3.985 3.985 . 0 0 "[ ]" 1
832 1 55 ARG HB3 1 56 TYR QD 4.000 . 7.000 5.784 5.784 5.784 . 0 0 "[ ]" 1
833 1 55 ARG HB3 1 97 GLY H 5.000 . 7.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
834 1 55 ARG HB2 1 56 TYR H 4.000 . 5.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
835 1 55 ARG HB2 1 96 VAL HA 5.000 . 7.000 4.763 4.763 4.763 . 0 0 "[ ]" 1
836 1 55 ARG HB2 1 97 GLY H 5.000 . 7.000 2.818 2.818 2.818 . 0 0 "[ ]" 1
837 1 55 ARG QG 1 56 TYR H 5.000 . 8.000 4.300 4.300 4.300 . 0 0 "[ ]" 1
838 1 55 ARG QG 1 77 LYS H 5.000 . 8.000 4.005 4.005 4.005 . 0 0 "[ ]" 1
839 1 55 ARG QG 1 77 LYS HA 5.000 . 8.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
840 1 55 ARG QG 1 97 GLY H 5.000 . 8.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
841 1 55 ARG QD 1 97 GLY QA 5.000 . 9.000 3.238 3.238 3.238 . 0 0 "[ ]" 1
842 1 55 ARG H 1 55 ARG QD 5.000 . 8.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
843 1 55 ARG H 1 74 THR MG 5.000 . 8.500 6.322 6.322 6.322 . 0 0 "[ ]" 1
844 1 55 ARG H 1 97 GLY HA3 5.000 . 7.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
845 1 55 ARG H 1 97 GLY HA2 5.000 . 7.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
846 1 55 ARG H 1 97 GLY QA 5.000 . 8.000 3.295 3.295 3.295 . 0 0 "[ ]" 1
847 1 55 ARG HA 1 77 LYS H 5.000 . 7.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
848 1 55 ARG QD 1 56 TYR H 5.000 . 8.000 5.881 5.881 5.881 . 0 0 "[ ]" 1
849 1 55 ARG QD 1 99 ASP H 5.000 . 8.000 5.119 5.119 5.119 . 0 0 "[ ]" 1
850 1 56 TYR H 1 74 THR HA 4.000 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
851 1 56 TYR H 1 75 VAL H 4.000 . 5.000 4.042 4.042 4.042 . 0 0 "[ ]" 1
852 1 56 TYR H 1 76 GLY H 4.000 . 5.000 3.858 3.858 3.858 . 0 0 "[ ]" 1
853 1 56 TYR H 1 77 LYS HA 4.000 . 5.000 2.550 2.550 2.550 . 0 0 "[ ]" 1
854 1 56 TYR H 1 77 LYS QG 5.000 . 8.000 5.067 5.067 5.067 . 0 0 "[ ]" 1
855 1 56 TYR H 1 94 VAL MG2 5.000 . 8.500 5.088 5.088 5.088 . 0 0 "[ ]" 1
856 1 56 TYR H 1 96 VAL MG2 5.000 . 8.500 3.784 3.784 3.784 . 0 0 "[ ]" 1
857 1 56 TYR HA 1 57 GLY H 2.700 . 2.900 2.482 2.482 2.482 . 0 0 "[ ]" 1
858 1 56 TYR HA 1 74 THR H 4.000 . 5.000 5.135 5.135 5.135 0.135 1 0 "[ ]" 1
859 1 56 TYR HA 1 94 VAL MG2 5.000 . 8.500 3.738 3.738 3.738 . 0 0 "[ ]" 1
860 1 56 TYR HA 1 95 THR MG 4.000 . 6.500 2.715 2.715 2.715 . 0 0 "[ ]" 1
861 1 56 TYR HA 1 96 VAL HA 2.700 . 2.900 2.203 2.203 2.203 . 0 0 "[ ]" 1
862 1 56 TYR HA 1 96 VAL HB 4.000 . 5.000 4.699 4.699 4.699 . 0 0 "[ ]" 1
863 1 56 TYR HA 1 97 GLY H 4.000 . 5.000 3.325 3.325 3.325 . 0 0 "[ ]" 1
864 1 56 TYR QB 1 57 GLY H 4.000 . 6.000 2.157 2.157 2.157 . 0 0 "[ ]" 1
865 1 56 TYR QB 1 76 GLY H 5.000 . 8.000 5.703 5.703 5.703 . 0 0 "[ ]" 1
866 1 56 TYR QB 1 94 VAL MG2 5.000 . 9.500 2.006 2.006 2.006 . 0 0 "[ ]" 1
867 1 56 TYR QB 1 96 VAL HA 5.000 . 8.000 2.683 2.683 2.683 . 0 0 "[ ]" 1
868 1 56 TYR QB 1 96 VAL MG2 5.000 . 9.500 1.642 1.642 1.642 . 0 0 "[ ]" 1
869 1 56 TYR QB 1 97 GLY H 5.000 . 8.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
870 1 56 TYR QD 1 57 GLY H 5.000 . 9.000 2.323 2.323 2.323 . 0 0 "[ ]" 1
871 1 56 TYR QD 1 57 GLY QA 5.000 . 10.000 2.825 2.825 2.825 . 0 0 "[ ]" 1
872 1 56 TYR QD 1 72 TYR QD 5.000 . 11.000 4.928 4.928 4.928 . 0 0 "[ ]" 1
873 1 56 TYR QD 1 77 LYS HA 5.000 . 9.000 2.761 2.761 2.761 . 0 0 "[ ]" 1
874 1 56 TYR QD 1 78 VAL HB 5.000 . 9.000 4.911 4.911 4.911 . 0 0 "[ ]" 1
875 1 56 TYR QD 1 78 VAL MG2 5.000 . 10.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
876 1 56 TYR QD 1 90 PRO QB 5.000 . 10.000 7.910 7.910 7.910 . 0 0 "[ ]" 1
877 1 56 TYR QD 1 94 VAL MG2 5.000 . 10.500 1.808 1.808 1.808 . 0 0 "[ ]" 1
878 1 56 TYR QD 1 95 THR MG 5.000 . 10.500 3.926 3.926 3.926 . 0 0 "[ ]" 1
879 1 56 TYR QD 1 96 VAL MG2 5.000 . 10.500 3.394 3.394 3.394 . 0 0 "[ ]" 1
880 1 56 TYR QE 1 78 VAL MG1 5.000 . 11.500 3.661 3.661 3.661 . 0 0 "[ ]" 1
881 1 56 TYR QE 1 78 VAL MG2 5.000 . 11.500 1.880 1.880 1.880 . 0 0 "[ ]" 1
882 1 56 TYR H 1 56 TYR QE 5.000 . 10.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
883 1 56 TYR H 1 57 GLY H 5.000 . 7.000 4.427 4.427 4.427 . 0 0 "[ ]" 1
884 1 56 TYR H 1 57 GLY QA 5.000 . 8.000 4.866 4.866 4.866 . 0 0 "[ ]" 1
885 1 56 TYR H 1 77 LYS HB3 5.000 . 7.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
886 1 56 TYR QD 1 78 VAL H 5.000 . 9.000 3.405 3.405 3.405 . 0 0 "[ ]" 1
887 1 56 TYR QE 1 77 LYS H 5.000 . 10.000 5.255 5.255 5.255 . 0 0 "[ ]" 1
888 1 56 TYR QE 1 78 VAL H 5.000 . 10.000 4.232 4.232 4.232 . 0 0 "[ ]" 1
889 1 57 GLY H 1 58 PRO HA 4.000 . 5.000 4.709 4.709 4.709 . 0 0 "[ ]" 1
890 1 57 GLY H 1 58 PRO QD 5.000 . 8.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
891 1 57 GLY H 1 75 VAL H 4.000 . 5.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
892 1 57 GLY H 1 94 VAL HA 4.000 . 5.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
893 1 57 GLY H 1 94 VAL HB 5.000 . 7.000 5.131 5.131 5.131 . 0 0 "[ ]" 1
894 1 57 GLY H 1 94 VAL MG1 5.000 . 8.500 4.599 4.599 4.599 . 0 0 "[ ]" 1
895 1 57 GLY H 1 95 THR H 3.000 . 3.500 3.159 3.159 3.159 . 0 0 "[ ]" 1
896 1 57 GLY H 1 95 THR HB 5.000 . 7.000 4.694 4.694 4.694 . 0 0 "[ ]" 1
897 1 57 GLY H 1 95 THR MG 5.000 . 8.500 2.028 2.028 2.028 . 0 0 "[ ]" 1
898 1 57 GLY H 1 96 VAL HA 4.000 . 5.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
899 1 57 GLY HA3 1 74 THR HA 4.000 . 5.000 3.915 3.915 3.915 . 0 0 "[ ]" 1
900 1 57 GLY HA3 1 75 VAL H 4.000 . 5.000 3.039 3.039 3.039 . 0 0 "[ ]" 1
901 1 57 GLY HA3 1 75 VAL MG2 4.000 . 6.500 2.033 2.033 2.033 . 0 0 "[ ]" 1
902 1 57 GLY HA2 1 74 THR HA 4.000 . 5.000 5.052 5.052 5.052 0.052 1 0 "[ ]" 1
903 1 57 GLY HA2 1 75 VAL H 4.000 . 5.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
904 1 57 GLY HA2 1 75 VAL MG2 4.000 . 6.500 2.568 2.568 2.568 . 0 0 "[ ]" 1
905 1 57 GLY QA 1 73 ALA H 5.000 . 8.000 3.832 3.832 3.832 . 0 0 "[ ]" 1
906 1 57 GLY QA 1 74 THR HA 3.000 . 4.500 3.789 3.789 3.789 . 0 0 "[ ]" 1
907 1 57 GLY QA 1 75 VAL H 3.000 . 4.500 2.871 2.871 2.871 . 0 0 "[ ]" 1
908 1 57 GLY QA 1 75 VAL HB 5.000 . 8.000 1.964 1.964 1.964 . 0 0 "[ ]" 1
909 1 57 GLY QA 1 75 VAL MG2 4.000 . 7.500 1.960 1.960 1.960 . 0 0 "[ ]" 1
910 1 57 GLY H 1 72 TYR HB3 5.000 . 7.000 4.833 4.833 4.833 . 0 0 "[ ]" 1
911 1 57 GLY H 1 72 TYR HB2 5.000 . 7.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
912 1 57 GLY H 1 72 TYR QD 5.000 . 9.000 2.920 2.920 2.920 . 0 0 "[ ]" 1
913 1 57 GLY H 1 72 TYR QE 5.000 . 10.000 4.347 4.347 4.347 . 0 0 "[ ]" 1
914 1 57 GLY H 1 75 VAL HB 5.000 . 7.000 4.288 4.288 4.288 . 0 0 "[ ]" 1
915 1 57 GLY QA 1 76 GLY H 5.000 . 8.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
916 1 58 PRO HA 1 59 ALA H 2.700 . 2.900 2.264 2.264 2.264 . 0 0 "[ ]" 1
917 1 58 PRO HA 1 59 ALA MB 5.000 . 8.500 3.977 3.977 3.977 . 0 0 "[ ]" 1
918 1 58 PRO HA 1 94 VAL HA 2.700 . 2.900 2.929 2.929 2.929 0.029 1 0 "[ ]" 1
919 1 58 PRO HA 1 94 VAL MG1 5.000 . 8.500 5.382 5.382 5.382 . 0 0 "[ ]" 1
920 1 58 PRO QB 1 59 ALA H 4.000 . 6.000 3.498 3.498 3.498 . 0 0 "[ ]" 1
921 1 58 PRO QG 1 72 TYR QE 5.000 . 11.000 7.781 7.781 7.781 . 0 0 "[ ]" 1
922 1 58 PRO QD 1 59 ALA H 4.000 . 6.000 4.987 4.987 4.987 . 0 0 "[ ]" 1
923 1 58 PRO QD 1 75 VAL H 5.000 . 8.000 4.556 4.556 4.556 . 0 0 "[ ]" 1
924 1 58 PRO QD 1 73 ALA H 5.000 . 8.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
925 1 59 ALA H 1 59 ALA HA 2.700 . 2.900 2.892 2.892 2.892 . 0 0 "[ ]" 1
926 1 59 ALA H 1 60 ARG QB 4.000 . 6.000 5.125 5.125 5.125 . 0 0 "[ ]" 1
927 1 59 ALA H 1 60 ARG QG 5.000 . 8.000 5.002 5.002 5.002 . 0 0 "[ ]" 1
928 1 59 ALA H 1 72 TYR HB3 5.000 . 7.000 5.149 5.149 5.149 . 0 0 "[ ]" 1
929 1 59 ALA H 1 94 VAL HA 4.000 . 5.000 2.612 2.612 2.612 . 0 0 "[ ]" 1
930 1 59 ALA H 1 94 VAL HB 4.000 . 5.000 4.965 4.965 4.965 . 0 0 "[ ]" 1
931 1 59 ALA H 1 94 VAL MG2 5.000 . 8.500 3.963 3.963 3.963 . 0 0 "[ ]" 1
932 1 59 ALA H 1 95 THR HB 5.000 . 7.000 3.467 3.467 3.467 . 0 0 "[ ]" 1
933 1 59 ALA H 1 95 THR MG 5.000 . 8.500 3.645 3.645 3.645 . 0 0 "[ ]" 1
934 1 59 ALA HA 1 60 ARG H 2.700 . 2.900 2.168 2.168 2.168 . 0 0 "[ ]" 1
935 1 59 ALA HA 1 71 GLN HB2 4.000 . 5.000 4.825 4.825 4.825 . 0 0 "[ ]" 1
936 1 59 ALA HA 1 72 TYR HA 2.700 . 2.900 3.199 3.199 3.199 0.299 1 0 "[ ]" 1
937 1 59 ALA HA 1 72 TYR HB3 3.000 . 3.500 2.888 2.888 2.888 . 0 0 "[ ]" 1
938 1 59 ALA HA 1 72 TYR HB2 3.000 . 3.500 3.374 3.374 3.374 . 0 0 "[ ]" 1
939 1 59 ALA HA 1 95 THR HB 2.700 . 2.900 2.215 2.215 2.215 . 0 0 "[ ]" 1
940 1 59 ALA MB 1 72 TYR H 5.000 . 8.500 5.516 5.516 5.516 . 0 0 "[ ]" 1
941 1 59 ALA MB 1 72 TYR HB2 5.000 . 8.500 4.672 4.672 4.672 . 0 0 "[ ]" 1
942 1 59 ALA MB 1 94 VAL H 5.000 . 8.500 4.531 4.531 4.531 . 0 0 "[ ]" 1
943 1 59 ALA MB 1 95 THR HB 4.000 . 6.500 1.831 1.831 1.831 . 0 0 "[ ]" 1
944 1 60 ARG H 1 60 ARG HB3 4.000 . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
945 1 60 ARG H 1 60 ARG HB2 4.000 . 5.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
946 1 60 ARG H 1 61 LYS H 4.000 . 5.000 2.439 2.439 2.439 . 0 0 "[ ]" 1
947 1 60 ARG H 1 61 LYS HA 4.000 . 5.000 4.660 4.660 4.660 . 0 0 "[ ]" 1
948 1 60 ARG H 1 61 LYS QG 5.000 . 8.000 4.063 4.063 4.063 . 0 0 "[ ]" 1
949 1 60 ARG H 1 62 VAL MG2 5.000 . 8.500 5.181 5.181 5.181 . 0 0 "[ ]" 1
950 1 60 ARG H 1 71 GLN HA 4.000 . 5.000 4.104 4.104 4.104 . 0 0 "[ ]" 1
951 1 60 ARG H 1 72 TYR H 4.000 . 5.000 4.455 4.455 4.455 . 0 0 "[ ]" 1
952 1 60 ARG H 1 72 TYR HA 2.700 . 2.900 2.518 2.518 2.518 . 0 0 "[ ]" 1
953 1 60 ARG H 1 72 TYR HB3 5.000 . 7.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
954 1 60 ARG H 1 72 TYR HB2 4.000 . 5.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
955 1 60 ARG H 1 73 ALA H 4.000 . 5.000 5.103 5.103 5.103 0.103 1 0 "[ ]" 1
956 1 60 ARG HA 1 60 ARG HB3 2.700 . 2.900 2.817 2.817 2.817 . 0 0 "[ ]" 1
957 1 60 ARG HA 1 60 ARG HB2 2.700 . 2.900 2.906 2.906 2.906 0.006 1 0 "[ ]" 1
958 1 60 ARG HA 1 60 ARG HG3 4.000 . 5.000 2.564 2.564 2.564 . 0 0 "[ ]" 1
959 1 60 ARG HA 1 60 ARG HG2 4.000 . 5.000 2.293 2.293 2.293 . 0 0 "[ ]" 1
960 1 60 ARG HA 1 61 LYS H 2.700 . 2.900 2.900 2.900 2.900 0.000 1 0 "[ ]" 1
961 1 60 ARG HA 1 72 TYR QD 5.000 . 9.000 7.943 7.943 7.943 . 0 0 "[ ]" 1
962 1 60 ARG H 1 72 TYR QD 5.000 . 9.000 5.388 5.388 5.388 . 0 0 "[ ]" 1
963 1 60 ARG H 1 95 THR HB 5.000 . 7.000 4.191 4.191 4.191 . 0 0 "[ ]" 1
964 1 61 LYS H 1 61 LYS QB 3.000 . 4.500 2.437 2.437 2.437 . 0 0 "[ ]" 1
965 1 61 LYS H 1 61 LYS QG 4.000 . 6.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
966 1 61 LYS H 1 62 VAL MG2 5.000 . 8.500 3.340 3.340 3.340 . 0 0 "[ ]" 1
967 1 61 LYS H 1 72 TYR HB2 5.000 . 7.000 6.136 6.136 6.136 . 0 0 "[ ]" 1
968 1 61 LYS HA 1 62 VAL H 2.700 . 2.900 2.562 2.562 2.562 . 0 0 "[ ]" 1
969 1 61 LYS HA 1 62 VAL MG2 5.000 . 8.500 4.292 4.292 4.292 . 0 0 "[ ]" 1
970 1 61 LYS HA 1 63 THR H 3.000 . 3.500 3.228 3.228 3.228 . 0 0 "[ ]" 1
971 1 61 LYS HB3 1 72 TYR HA 4.000 . 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 1
972 1 61 LYS HB2 1 72 TYR HA 4.000 . 5.000 3.375 3.375 3.375 . 0 0 "[ ]" 1
973 1 61 LYS QB 1 62 VAL H 4.000 . 6.000 3.957 3.957 3.957 . 0 0 "[ ]" 1
974 1 61 LYS HG3 1 62 VAL H 5.000 . 7.000 5.915 5.915 5.915 . 0 0 "[ ]" 1
975 1 61 LYS HG3 1 72 TYR H 5.000 . 7.000 3.155 3.155 3.155 . 0 0 "[ ]" 1
976 1 61 LYS HG3 1 72 TYR HA 4.000 . 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
977 1 61 LYS HG2 1 62 VAL H 5.000 . 7.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
978 1 61 LYS HG2 1 72 TYR H 5.000 . 7.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
979 1 61 LYS HG2 1 72 TYR HA 4.000 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
980 1 61 LYS QG 1 62 VAL H 5.000 . 8.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
981 1 61 LYS QG 1 72 TYR H 5.000 . 8.000 3.100 3.100 3.100 . 0 0 "[ ]" 1
982 1 61 LYS QG 1 73 ALA HA 5.000 . 8.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
983 1 61 LYS H 1 71 GLN HB3 5.000 . 7.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
984 1 61 LYS H 1 71 GLN QE 5.000 . 8.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
985 1 61 LYS QB 1 72 TYR H 5.000 . 8.000 2.753 2.753 2.753 . 0 0 "[ ]" 1
986 1 62 VAL H 1 62 VAL HB 4.000 . 5.000 2.389 2.389 2.389 . 0 0 "[ ]" 1
987 1 62 VAL H 1 62 VAL MG2 4.000 . 6.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
988 1 62 VAL H 1 71 GLN HE21 5.000 . 7.000 5.077 5.077 5.077 . 0 0 "[ ]" 1
989 1 62 VAL H 1 71 GLN HE22 5.000 . 7.000 3.863 3.863 3.863 . 0 0 "[ ]" 1
990 1 62 VAL H 1 71 GLN QE 5.000 . 8.000 3.751 3.751 3.751 . 0 0 "[ ]" 1
991 1 62 VAL HA 1 62 VAL HB 2.700 . 2.900 3.028 3.028 3.028 0.128 1 0 "[ ]" 1
992 1 62 VAL HB 1 63 THR H 3.000 . 3.500 3.024 3.024 3.024 . 0 0 "[ ]" 1
993 1 62 VAL HB 1 63 THR HB 4.000 . 5.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
994 1 62 VAL HB 1 71 GLN QE 5.000 . 8.000 4.096 4.096 4.096 . 0 0 "[ ]" 1
995 1 62 VAL MG1 1 71 GLN HE21 5.000 . 8.500 3.780 3.780 3.780 . 0 0 "[ ]" 1
996 1 62 VAL MG1 1 71 GLN HE22 5.000 . 8.500 3.056 3.056 3.056 . 0 0 "[ ]" 1
997 1 62 VAL MG1 1 71 GLN QE 5.000 . 9.500 2.933 2.933 2.933 . 0 0 "[ ]" 1
998 1 62 VAL MG2 1 63 THR H 4.000 . 6.500 3.987 3.987 3.987 . 0 0 "[ ]" 1
999 1 62 VAL H 1 69 CYS QB 5.000 . 8.000 5.992 5.992 5.992 . 0 0 "[ ]" 1
1000 1 63 THR H 1 63 THR HA 2.700 . 2.900 2.927 2.927 2.927 0.027 1 0 "[ ]" 1
1001 1 63 THR H 1 63 THR HB 3.000 . 3.500 2.627 2.627 2.627 . 0 0 "[ ]" 1
1002 1 63 THR HA 1 63 THR HB 2.700 . 2.900 2.452 2.452 2.452 . 0 0 "[ ]" 1
1003 1 63 THR HA 1 64 CYS H 2.700 . 2.900 2.506 2.506 2.506 . 0 0 "[ ]" 1
1004 1 63 THR HB 1 64 CYS H 4.000 . 5.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
1005 1 63 THR MG 1 64 CYS H 5.000 . 8.500 4.033 4.033 4.033 . 0 0 "[ ]" 1
1006 1 63 THR H 1 71 GLN QE 5.000 . 8.000 4.821 4.821 4.821 . 0 0 "[ ]" 1
1007 1 64 CYS H 1 64 CYS HB3 3.000 . 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 1
1008 1 64 CYS H 1 64 CYS HB2 3.000 . 3.500 2.729 2.729 2.729 . 0 0 "[ ]" 1
1009 1 64 CYS HA 1 64 CYS HB3 2.700 . 2.900 2.336 2.336 2.336 . 0 0 "[ ]" 1
1010 1 64 CYS HA 1 64 CYS HB2 2.700 . 2.900 2.995 2.995 2.995 0.095 1 0 "[ ]" 1
1011 1 64 CYS HA 1 65 VAL H 2.700 . 2.900 2.473 2.473 2.473 . 0 0 "[ ]" 1
1012 1 64 CYS HA 1 65 VAL MG1 5.000 . 8.500 5.564 5.564 5.564 . 0 0 "[ ]" 1
1013 1 64 CYS HA 1 66 ARG H 4.000 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
1014 1 64 CYS HA 1 69 CYS HA 4.000 . 5.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
1015 1 64 CYS HB3 1 65 VAL H 4.000 . 5.000 2.674 2.674 2.674 . 0 0 "[ ]" 1
1016 1 64 CYS HB3 1 66 ARG H 3.000 . 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 1
1017 1 64 CYS HB2 1 65 VAL H 4.000 . 5.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
1018 1 64 CYS HB2 1 66 ARG H 3.000 . 3.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
1019 1 64 CYS QB 1 67 PHE H 4.000 . 6.000 2.274 2.274 2.274 . 0 0 "[ ]" 1
1020 1 64 CYS QB 1 67 PHE HA 2.700 . 3.900 3.269 3.269 3.269 . 0 0 "[ ]" 1
1021 1 64 CYS QB 1 69 CYS H 2.700 . 3.900 3.283 3.283 3.283 . 0 0 "[ ]" 1
1022 1 64 CYS QB 1 69 CYS HA 4.000 . 6.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
1023 1 64 CYS QB 1 69 CYS QB 4.000 . 7.000 1.788 1.788 1.788 . 0 0 "[ ]" 1
1024 1 64 CYS QB 1 70 TYR H 5.000 . 8.000 5.544 5.544 5.544 . 0 0 "[ ]" 1
1025 1 64 CYS H 1 66 ARG H 5.000 . 7.000 5.719 5.719 5.719 . 0 0 "[ ]" 1
1026 1 65 VAL H 1 65 VAL HB 4.000 . 5.000 2.254 2.254 2.254 . 0 0 "[ ]" 1
1027 1 65 VAL H 1 65 VAL MG1 4.000 . 6.500 3.691 3.691 3.691 . 0 0 "[ ]" 1
1028 1 65 VAL H 1 66 ARG H 2.700 . 2.900 2.493 2.493 2.493 . 0 0 "[ ]" 1
1029 1 65 VAL H 1 66 ARG HA 4.000 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1
1030 1 65 VAL H 1 66 ARG QG 5.000 . 8.000 4.165 4.165 4.165 . 0 0 "[ ]" 1
1031 1 65 VAL H 1 69 CYS HA 4.000 . 5.000 4.584 4.584 4.584 . 0 0 "[ ]" 1
1032 1 65 VAL HA 1 65 VAL HB 2.700 . 2.900 3.019 3.019 3.019 0.119 1 0 "[ ]" 1
1033 1 65 VAL HA 1 66 ARG H 3.000 . 3.500 3.553 3.553 3.553 0.053 1 0 "[ ]" 1
1034 1 65 VAL HB 1 66 ARG H 4.000 . 5.000 2.450 2.450 2.450 . 0 0 "[ ]" 1
1035 1 65 VAL MG1 1 70 TYR QE 5.000 . 11.500 8.631 8.631 8.631 . 0 0 "[ ]" 1
1036 1 65 VAL MG2 1 66 ARG H 5.000 . 8.500 3.860 3.860 3.860 . 0 0 "[ ]" 1
1037 1 65 VAL H 1 66 ARG QB 5.000 . 8.000 5.199 5.199 5.199 . 0 0 "[ ]" 1
1038 1 65 VAL H 1 67 PHE HA 5.000 . 7.000 5.648 5.648 5.648 . 0 0 "[ ]" 1
1039 1 66 ARG H 1 66 ARG QD 5.000 . 8.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
1040 1 66 ARG H 1 67 PHE H 4.000 . 5.000 2.035 2.035 2.035 . 0 0 "[ ]" 1
1041 1 66 ARG H 1 67 PHE HA 4.000 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
1042 1 66 ARG HA 1 67 PHE H 2.700 . 2.900 2.952 2.952 2.952 0.052 1 0 "[ ]" 1
1043 1 66 ARG HA 1 68 PRO QD 5.000 . 8.000 3.708 3.708 3.708 . 0 0 "[ ]" 1
1044 1 66 ARG QB 1 67 PHE H 4.000 . 6.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
1045 1 66 ARG QG 1 70 TYR QE 5.000 . 11.000 8.429 8.429 8.429 . 0 0 "[ ]" 1
1046 1 67 PHE H 1 67 PHE HB3 3.000 . 3.500 3.618 3.618 3.618 0.118 1 0 "[ ]" 1
1047 1 67 PHE H 1 67 PHE HB2 3.000 . 3.500 3.569 3.569 3.569 0.069 1 0 "[ ]" 1
1048 1 67 PHE H 1 67 PHE QB 2.700 . 3.900 3.201 3.201 3.201 . 0 0 "[ ]" 1
1049 1 67 PHE H 1 69 CYS H 4.000 . 5.000 4.423 4.423 4.423 . 0 0 "[ ]" 1
1050 1 67 PHE H 1 69 CYS QB 4.000 . 6.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
1051 1 67 PHE HA 1 67 PHE HB3 2.700 . 2.900 3.008 3.008 3.008 0.108 1 0 "[ ]" 1
1052 1 67 PHE HA 1 67 PHE HB2 2.700 . 2.900 2.441 2.441 2.441 . 0 0 "[ ]" 1
1053 1 67 PHE QD 1 68 PRO QG 5.000 . 10.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
1054 1 67 PHE H 1 68 PRO QD 5.000 . 8.000 2.437 2.437 2.437 . 0 0 "[ ]" 1
1055 1 68 PRO HA 1 69 CYS H 3.000 . 3.500 2.689 2.689 2.689 . 0 0 "[ ]" 1
1056 1 69 CYS H 1 70 TYR H 4.000 . 5.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
1057 1 69 CYS H 1 71 GLN QE 5.000 . 8.000 5.879 5.879 5.879 . 0 0 "[ ]" 1
1058 1 69 CYS HA 1 69 CYS HB3 2.700 . 2.900 2.377 2.377 2.377 . 0 0 "[ ]" 1
1059 1 69 CYS HA 1 69 CYS HB2 2.700 . 2.900 2.590 2.590 2.590 . 0 0 "[ ]" 1
1060 1 69 CYS HA 1 70 TYR H 2.700 . 2.900 2.287 2.287 2.287 . 0 0 "[ ]" 1
1061 1 69 CYS HB3 1 70 TYR H 4.000 . 5.000 4.039 4.039 4.039 . 0 0 "[ ]" 1
1062 1 69 CYS HB3 1 71 GLN H 3.000 . 3.500 3.863 3.863 3.863 0.363 1 0 "[ ]" 1
1063 1 69 CYS QB 1 71 GLN QE 5.000 . 9.000 4.310 4.310 4.310 . 0 0 "[ ]" 1
1064 1 69 CYS HB2 1 70 TYR H 4.000 . 5.000 3.143 3.143 3.143 . 0 0 "[ ]" 1
1065 1 69 CYS HB2 1 71 GLN H 3.000 . 3.500 2.208 2.208 2.208 . 0 0 "[ ]" 1
1066 1 69 CYS HA 1 71 GLN H 5.000 . 7.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
1067 1 70 TYR H 1 70 TYR HB3 3.000 . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
1068 1 70 TYR H 1 70 TYR HB2 3.000 . 3.500 2.336 2.336 2.336 . 0 0 "[ ]" 1
1069 1 70 TYR H 1 70 TYR QE 5.000 . 10.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
1070 1 70 TYR H 1 73 ALA HA 5.000 . 7.000 7.112 7.112 7.112 0.112 1 0 "[ ]" 1
1071 1 70 TYR HA 1 70 TYR HB2 2.700 . 2.900 3.007 3.007 3.007 0.107 1 0 "[ ]" 1
1072 1 70 TYR HA 1 71 GLN H 2.700 . 2.900 3.136 3.136 3.136 0.236 1 0 "[ ]" 1
1073 1 70 TYR HA 1 72 TYR H 4.000 . 5.000 4.324 4.324 4.324 . 0 0 "[ ]" 1
1074 1 70 TYR HB3 1 71 GLN H 4.000 . 5.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
1075 1 70 TYR HB3 1 72 TYR H 3.000 . 3.500 3.577 3.577 3.577 0.077 1 0 "[ ]" 1
1076 1 70 TYR HB2 1 71 GLN H 3.000 . 3.500 3.678 3.678 3.678 0.178 1 0 "[ ]" 1
1077 1 70 TYR HB2 1 72 TYR H 3.000 . 3.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
1078 1 70 TYR QD 1 72 TYR QE 5.000 . 12.000 2.848 2.848 2.848 . 0 0 "[ ]" 1
1079 1 70 TYR QD 1 73 ALA HA 4.000 . 7.000 5.219 5.219 5.219 . 0 0 "[ ]" 1
1080 1 70 TYR QD 1 74 THR MG 5.000 . 10.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
1081 1 70 TYR H 1 72 TYR HB3 5.000 . 7.000 6.628 6.628 6.628 . 0 0 "[ ]" 1
1082 1 70 TYR QD 1 73 ALA H 5.000 . 9.000 6.881 6.881 6.881 . 0 0 "[ ]" 1
1083 1 71 GLN H 1 71 GLN HA 2.700 . 2.900 2.353 2.353 2.353 . 0 0 "[ ]" 1
1084 1 71 GLN H 1 71 GLN HB3 3.000 . 3.500 3.861 3.861 3.861 0.361 1 0 "[ ]" 1
1085 1 71 GLN H 1 71 GLN HG3 4.000 . 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 1
1086 1 71 GLN H 1 71 GLN HG2 4.000 . 5.000 2.577 2.577 2.577 . 0 0 "[ ]" 1
1087 1 71 GLN H 1 71 GLN QG 4.000 . 6.000 2.545 2.545 2.545 . 0 0 "[ ]" 1
1088 1 71 GLN H 1 71 GLN HE21 5.000 . 7.000 5.022 5.022 5.022 . 0 0 "[ ]" 1
1089 1 71 GLN H 1 71 GLN HE22 5.000 . 7.000 5.843 5.843 5.843 . 0 0 "[ ]" 1
1090 1 71 GLN H 1 72 TYR H 4.000 . 5.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
1091 1 71 GLN HA 1 71 GLN HB3 2.700 . 2.900 2.656 2.656 2.656 . 0 0 "[ ]" 1
1092 1 71 GLN HA 1 71 GLN HB2 2.700 . 2.900 2.952 2.952 2.952 0.052 1 0 "[ ]" 1
1093 1 71 GLN HA 1 71 GLN HG3 4.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
1094 1 71 GLN HA 1 71 GLN HG2 4.000 . 5.000 2.416 2.416 2.416 . 0 0 "[ ]" 1
1095 1 71 GLN HA 1 71 GLN HE21 5.000 . 7.000 4.104 4.104 4.104 . 0 0 "[ ]" 1
1096 1 71 GLN HA 1 71 GLN HE22 5.000 . 7.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
1097 1 71 GLN HA 1 71 GLN QE 5.000 . 8.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
1098 1 71 GLN HA 1 72 TYR H 3.000 . 3.500 3.156 3.156 3.156 . 0 0 "[ ]" 1
1099 1 71 GLN HB3 1 72 TYR HB3 3.000 . 3.500 3.672 3.672 3.672 0.172 1 0 "[ ]" 1
1100 1 71 GLN HB2 1 72 TYR H 4.000 . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
1101 1 71 GLN HB3 1 72 TYR H 4.000 . 5.000 4.277 4.277 4.277 . 0 0 "[ ]" 1
1102 1 72 TYR H 1 72 TYR HB3 4.000 . 5.000 3.097 3.097 3.097 . 0 0 "[ ]" 1
1103 1 72 TYR H 1 72 TYR HB2 4.000 . 5.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
1104 1 72 TYR H 1 72 TYR QE 5.000 . 10.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
1105 1 72 TYR H 1 73 ALA H 4.000 . 5.000 4.341 4.341 4.341 . 0 0 "[ ]" 1
1106 1 72 TYR H 1 73 ALA HA 4.000 . 5.000 4.687 4.687 4.687 . 0 0 "[ ]" 1
1107 1 72 TYR H 1 74 THR H 4.000 . 5.000 5.081 5.081 5.081 0.081 1 0 "[ ]" 1
1108 1 72 TYR HA 1 72 TYR HB3 2.700 . 2.900 2.570 2.570 2.570 . 0 0 "[ ]" 1
1109 1 72 TYR HA 1 72 TYR HB2 2.700 . 2.900 2.331 2.331 2.331 . 0 0 "[ ]" 1
1110 1 72 TYR HA 1 73 ALA H 2.700 . 2.900 2.769 2.769 2.769 . 0 0 "[ ]" 1
1111 1 72 TYR HA 1 95 THR HB 4.000 . 5.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
1112 1 72 TYR HB3 1 73 ALA H 3.000 . 3.500 3.599 3.599 3.599 0.099 1 0 "[ ]" 1
1113 1 72 TYR HB3 1 95 THR HB 4.000 . 5.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
1114 1 72 TYR HB3 1 95 THR MG 5.000 . 8.500 1.633 1.633 1.633 . 0 0 "[ ]" 1
1115 1 72 TYR HB2 1 73 ALA H 3.000 . 3.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
1116 1 72 TYR HB2 1 73 ALA HA 4.000 . 5.000 4.863 4.863 4.863 . 0 0 "[ ]" 1
1117 1 72 TYR HB2 1 95 THR H 5.000 . 7.000 4.503 4.503 4.503 . 0 0 "[ ]" 1
1118 1 72 TYR HB2 1 95 THR HB 4.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
1119 1 72 TYR HB2 1 95 THR MG 5.000 . 8.500 1.752 1.752 1.752 . 0 0 "[ ]" 1
1120 1 72 TYR QD 1 73 ALA H 5.000 . 9.000 3.212 3.212 3.212 . 0 0 "[ ]" 1
1121 1 72 TYR QD 1 95 THR MG 5.000 . 10.500 1.789 1.789 1.789 . 0 0 "[ ]" 1
1122 1 72 TYR QE 1 75 VAL HB 4.000 . 8.000 5.666 5.666 5.666 . 0 0 "[ ]" 1
1123 1 72 TYR H 1 95 THR HA 5.000 . 7.000 6.956 6.956 6.956 . 0 0 "[ ]" 1
1124 1 72 TYR QD 1 74 THR H 5.000 . 9.000 2.734 2.734 2.734 . 0 0 "[ ]" 1
1125 1 72 TYR QD 1 75 VAL H 5.000 . 9.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
1126 1 73 ALA H 1 74 THR H 4.000 . 5.000 2.089 2.089 2.089 . 0 0 "[ ]" 1
1127 1 73 ALA H 1 74 THR HA 4.000 . 5.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
1128 1 73 ALA HA 1 74 THR H 2.700 . 2.900 3.068 3.068 3.068 0.168 1 0 "[ ]" 1
1129 1 73 ALA H 1 95 THR HB 5.000 . 7.000 5.893 5.893 5.893 . 0 0 "[ ]" 1
1130 1 73 ALA H 1 95 THR MG 5.000 . 8.500 3.621 3.621 3.621 . 0 0 "[ ]" 1
1131 1 73 ALA HA 1 75 VAL H 5.000 . 7.000 6.583 6.583 6.583 . 0 0 "[ ]" 1
1132 1 74 THR H 1 74 THR HA 2.700 . 2.900 2.340 2.340 2.340 . 0 0 "[ ]" 1
1133 1 74 THR H 1 75 VAL H 4.000 . 5.000 3.860 3.860 3.860 . 0 0 "[ ]" 1
1134 1 74 THR HA 1 75 VAL H 2.700 . 2.900 2.176 2.176 2.176 . 0 0 "[ ]" 1
1135 1 74 THR HA 1 76 GLY H 3.000 . 3.500 3.400 3.400 3.400 . 0 0 "[ ]" 1
1136 1 74 THR HB 1 77 LYS H 4.000 . 5.000 5.151 5.151 5.151 0.151 1 0 "[ ]" 1
1137 1 74 THR H 1 75 VAL HA 5.000 . 7.000 5.502 5.502 5.502 . 0 0 "[ ]" 1
1138 1 75 VAL H 1 75 VAL HB 3.000 . 3.500 2.334 2.334 2.334 . 0 0 "[ ]" 1
1139 1 75 VAL H 1 75 VAL MG2 4.000 . 6.500 2.951 2.951 2.951 . 0 0 "[ ]" 1
1140 1 75 VAL H 1 76 GLY H 2.700 . 2.900 2.133 2.133 2.133 . 0 0 "[ ]" 1
1141 1 75 VAL HA 1 75 VAL HB 2.700 . 2.900 3.013 3.013 3.013 0.113 1 0 "[ ]" 1
1142 1 75 VAL HB 1 76 GLY H 3.000 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
1143 1 75 VAL MG1 1 76 GLY H 4.000 . 6.500 3.859 3.859 3.859 . 0 0 "[ ]" 1
1144 1 75 VAL MG2 1 76 GLY H 4.000 . 6.500 4.302 4.302 4.302 . 0 0 "[ ]" 1
1145 1 75 VAL H 1 77 LYS QG 5.000 . 8.000 6.362 6.362 6.362 . 0 0 "[ ]" 1
1146 1 76 GLY H 1 77 LYS H 4.000 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
1147 1 76 GLY HA3 1 77 LYS H 3.000 . 3.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
1148 1 76 GLY HA2 1 77 LYS H 3.000 . 3.500 2.232 2.232 2.232 . 0 0 "[ ]" 1
1149 1 76 GLY QA 1 77 LYS HA 4.000 . 6.000 4.134 4.134 4.134 . 0 0 "[ ]" 1
1150 1 76 GLY QA 1 78 VAL H 5.000 . 8.000 5.657 5.657 5.657 . 0 0 "[ ]" 1
1151 1 77 LYS H 1 77 LYS HB2 4.000 . 5.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
1152 1 77 LYS H 1 77 LYS HG3 5.000 . 7.000 1.994 1.994 1.994 . 0 0 "[ ]" 1
1153 1 77 LYS H 1 77 LYS HG2 5.000 . 7.000 2.191 2.191 2.191 . 0 0 "[ ]" 1
1154 1 77 LYS HA 1 77 LYS HB3 2.700 . 2.900 2.335 2.335 2.335 . 0 0 "[ ]" 1
1155 1 77 LYS HA 1 77 LYS HG3 4.000 . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
1156 1 77 LYS HA 1 77 LYS HG2 4.000 . 5.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
1157 1 77 LYS HA 1 77 LYS QG 3.000 . 4.500 3.284 3.284 3.284 . 0 0 "[ ]" 1
1158 1 77 LYS HA 1 78 VAL H 2.700 . 2.900 2.227 2.227 2.227 . 0 0 "[ ]" 1
1159 1 77 LYS HB2 1 78 VAL H 4.000 . 5.000 2.497 2.497 2.497 . 0 0 "[ ]" 1
1160 1 77 LYS HB2 1 78 VAL HA 3.000 . 3.500 3.889 3.889 3.889 0.389 1 0 "[ ]" 1
1161 1 77 LYS HB2 1 79 ALA H 3.000 . 3.500 3.335 3.335 3.335 . 0 0 "[ ]" 1
1162 1 77 LYS HB2 1 79 ALA HA 3.000 . 3.500 3.898 3.898 3.898 0.398 1 0 "[ ]" 1
1163 1 77 LYS QG 1 78 VAL H 5.000 . 8.000 4.135 4.135 4.135 . 0 0 "[ ]" 1
1164 1 77 LYS QG 1 79 ALA H 5.000 . 8.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
1165 1 77 LYS H 1 78 VAL H 5.000 . 7.000 4.606 4.606 4.606 . 0 0 "[ ]" 1
1166 1 78 VAL H 1 78 VAL HB 3.000 . 3.500 3.276 3.276 3.276 . 0 0 "[ ]" 1
1167 1 78 VAL H 1 79 ALA H 4.000 . 5.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
1168 1 78 VAL H 1 82 ALA HA 4.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1
1169 1 78 VAL HA 1 78 VAL HB 2.700 . 2.900 2.922 2.922 2.922 0.022 1 0 "[ ]" 1
1170 1 78 VAL HA 1 79 ALA H 2.700 . 2.900 2.251 2.251 2.251 . 0 0 "[ ]" 1
1171 1 78 VAL HB 1 79 ALA H 4.000 . 5.000 4.256 4.256 4.256 . 0 0 "[ ]" 1
1172 1 78 VAL HB 1 82 ALA H 4.000 . 5.000 3.045 3.045 3.045 . 0 0 "[ ]" 1
1173 1 78 VAL MG1 1 79 ALA H 5.000 . 8.500 3.799 3.799 3.799 . 0 0 "[ ]" 1
1174 1 78 VAL MG1 1 82 ALA H 5.000 . 8.500 3.548 3.548 3.548 . 0 0 "[ ]" 1
1175 1 78 VAL MG1 1 83 GLN H 5.000 . 8.500 3.981 3.981 3.981 . 0 0 "[ ]" 1
1176 1 78 VAL MG1 1 84 LEU H 5.000 . 8.500 6.109 6.109 6.109 . 0 0 "[ ]" 1
1177 1 79 ALA H 1 80 PRO HB3 5.000 . 7.000 6.295 6.295 6.295 . 0 0 "[ ]" 1
1178 1 79 ALA H 1 80 PRO HB2 5.000 . 7.000 6.568 6.568 6.568 . 0 0 "[ ]" 1
1179 1 79 ALA H 1 82 ALA H 4.000 . 5.000 4.703 4.703 4.703 . 0 0 "[ ]" 1
1180 1 79 ALA HA 1 80 PRO HD3 3.000 . 3.500 3.830 3.830 3.830 0.330 1 0 "[ ]" 1
1181 1 79 ALA HA 1 80 PRO HD2 3.000 . 3.500 3.787 3.787 3.787 0.287 1 0 "[ ]" 1
1182 1 79 ALA HA 1 80 PRO QD 3.000 . 4.500 3.393 3.393 3.393 . 0 0 "[ ]" 1
1183 1 79 ALA HA 1 81 GLY H 4.000 . 5.000 4.770 4.770 4.770 . 0 0 "[ ]" 1
1184 1 79 ALA MB 1 80 PRO HA 4.000 . 6.500 3.800 3.800 3.800 . 0 0 "[ ]" 1
1185 1 79 ALA MB 1 80 PRO QB 5.000 . 9.500 3.750 3.750 3.750 . 0 0 "[ ]" 1
1186 1 79 ALA MB 1 80 PRO HD3 4.000 . 6.500 1.655 1.655 1.655 . 0 0 "[ ]" 1
1187 1 79 ALA MB 1 80 PRO HD2 4.000 . 6.500 2.055 2.055 2.055 . 0 0 "[ ]" 1
1188 1 79 ALA MB 1 80 PRO QD 4.000 . 7.500 1.590 1.590 1.590 . 0 0 "[ ]" 1
1189 1 79 ALA MB 1 82 ALA H 5.000 . 8.500 4.731 4.731 4.731 . 0 0 "[ ]" 1
1190 1 79 ALA H 1 80 PRO QD 5.000 . 8.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
1191 1 80 PRO HA 1 81 GLY H 2.700 . 2.900 2.409 2.409 2.409 . 0 0 "[ ]" 1
1192 1 80 PRO HA 1 82 ALA H 4.000 . 5.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
1193 1 80 PRO HB3 1 81 GLY H 4.000 . 5.000 4.518 4.518 4.518 . 0 0 "[ ]" 1
1194 1 80 PRO HB3 1 82 ALA H 4.000 . 5.000 5.247 5.247 5.247 0.247 1 0 "[ ]" 1
1195 1 80 PRO HB2 1 81 GLY H 4.000 . 5.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
1196 1 80 PRO HB2 1 82 ALA H 4.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
1197 1 80 PRO QB 1 81 GLY H 4.000 . 6.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
1198 1 80 PRO QB 1 82 ALA H 4.000 . 6.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
1199 1 80 PRO QB 1 83 GLN H 4.000 . 6.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
1200 1 80 PRO QB 1 87 LEU H 5.000 . 8.000 7.197 7.197 7.197 . 0 0 "[ ]" 1
1201 1 81 GLY H 1 82 ALA H 4.000 . 5.000 2.885 2.885 2.885 . 0 0 "[ ]" 1
1202 1 81 GLY H 1 82 ALA MB 5.000 . 8.500 4.836 4.836 4.836 . 0 0 "[ ]" 1
1203 1 81 GLY QA 1 87 LEU H 4.000 . 6.000 4.280 4.280 4.280 . 0 0 "[ ]" 1
1204 1 81 GLY QA 1 86 SER H 5.000 . 8.000 3.748 3.748 3.748 . 0 0 "[ ]" 1
1205 1 82 ALA H 1 83 GLN QE 5.000 . 8.000 6.719 6.719 6.719 . 0 0 "[ ]" 1
1206 1 82 ALA HA 1 83 GLN H 2.700 . 2.900 3.019 3.019 3.019 0.119 1 0 "[ ]" 1
1207 1 82 ALA MB 1 83 GLN H 4.000 . 6.500 3.561 3.561 3.561 . 0 0 "[ ]" 1
1208 1 82 ALA MB 1 83 GLN HE21 5.000 . 8.500 4.167 4.167 4.167 . 0 0 "[ ]" 1
1209 1 82 ALA MB 1 83 GLN HE22 5.000 . 8.500 5.604 5.604 5.604 . 0 0 "[ ]" 1
1210 1 82 ALA MB 1 83 GLN QE 5.000 . 9.500 4.060 4.060 4.060 . 0 0 "[ ]" 1
1211 1 82 ALA MB 1 84 LEU H 5.000 . 8.500 4.738 4.738 4.738 . 0 0 "[ ]" 1
1212 1 82 ALA MB 1 84 LEU HA 5.000 . 8.500 6.907 6.907 6.907 . 0 0 "[ ]" 1
1213 1 82 ALA H 1 85 ARG HA 4.000 . 5.000 5.074 5.074 5.074 0.074 1 0 "[ ]" 1
1214 1 83 GLN HA 1 83 GLN HB3 2.700 . 2.900 2.872 2.872 2.872 . 0 0 "[ ]" 1
1215 1 83 GLN HA 1 83 GLN HB2 2.700 . 2.900 2.874 2.874 2.874 . 0 0 "[ ]" 1
1216 1 83 GLN HA 1 84 LEU H 3.000 . 3.500 3.560 3.560 3.560 0.060 1 0 "[ ]" 1
1217 1 83 GLN HB3 1 83 GLN HE22 5.000 . 7.000 3.696 3.696 3.696 . 0 0 "[ ]" 1
1218 1 83 GLN HB2 1 83 GLN HE22 5.000 . 7.000 3.729 3.729 3.729 . 0 0 "[ ]" 1
1219 1 83 GLN QB 1 84 LEU H 4.000 . 6.000 2.111 2.111 2.111 . 0 0 "[ ]" 1
1220 1 83 GLN HE21 1 84 LEU HB3 5.000 . 7.000 5.472 5.472 5.472 . 0 0 "[ ]" 1
1221 1 83 GLN HE22 1 84 LEU HB3 5.000 . 7.000 5.865 5.865 5.865 . 0 0 "[ ]" 1
1222 1 83 GLN QE 1 84 LEU H 5.000 . 8.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
1223 1 83 GLN H 1 84 LEU HG 5.000 . 7.000 5.396 5.396 5.396 . 0 0 "[ ]" 1
1224 1 83 GLN QG 1 84 LEU H 5.000 . 8.000 4.058 4.058 4.058 . 0 0 "[ ]" 1
1225 1 84 LEU H 1 84 LEU HB3 4.000 . 5.000 2.665 2.665 2.665 . 0 0 "[ ]" 1
1226 1 84 LEU H 1 84 LEU HB2 3.000 . 3.500 3.718 3.718 3.718 0.218 1 0 "[ ]" 1
1227 1 84 LEU H 1 84 LEU MD1 5.000 . 8.500 4.132 4.132 4.132 . 0 0 "[ ]" 1
1228 1 84 LEU HA 1 84 LEU HB3 2.700 . 2.900 2.639 2.639 2.639 . 0 0 "[ ]" 1
1229 1 84 LEU HA 1 84 LEU HB2 2.700 . 2.900 2.334 2.334 2.334 . 0 0 "[ ]" 1
1230 1 84 LEU HA 1 85 ARG H 2.700 . 2.900 2.274 2.274 2.274 . 0 0 "[ ]" 1
1231 1 84 LEU HA 1 85 ARG HA 4.000 . 5.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
1232 1 84 LEU HA 1 86 SER H 4.000 . 5.000 4.217 4.217 4.217 . 0 0 "[ ]" 1
1233 1 84 LEU HB3 1 85 ARG H 4.000 . 5.000 4.480 4.480 4.480 . 0 0 "[ ]" 1
1234 1 84 LEU HB3 1 85 ARG HA 5.000 . 7.000 6.093 6.093 6.093 . 0 0 "[ ]" 1
1235 1 84 LEU HB2 1 85 ARG H 4.000 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
1236 1 84 LEU HG 1 85 ARG H 4.000 . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
1237 1 84 LEU HG 1 86 SER H 4.000 . 5.000 1.898 1.898 1.898 . 0 0 "[ ]" 1
1238 1 84 LEU HG 1 87 LEU HA 4.000 . 5.000 4.979 4.979 4.979 . 0 0 "[ ]" 1
1239 1 84 LEU MD1 1 86 SER H 5.000 . 8.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
1240 1 84 LEU MD2 1 85 ARG H 5.000 . 8.500 4.857 4.857 4.857 . 0 0 "[ ]" 1
1241 1 84 LEU MD2 1 86 SER H 5.000 . 8.500 3.556 3.556 3.556 . 0 0 "[ ]" 1
1242 1 84 LEU MD2 1 87 LEU H 5.000 . 8.500 4.528 4.528 4.528 . 0 0 "[ ]" 1
1243 1 84 LEU MD2 1 87 LEU HA 5.000 . 8.500 4.187 4.187 4.187 . 0 0 "[ ]" 1
1244 1 84 LEU MD2 1 89 SER H 5.000 . 8.500 7.069 7.069 7.069 . 0 0 "[ ]" 1
1245 1 84 LEU H 1 85 ARG HA 5.000 . 7.000 4.864 4.864 4.864 . 0 0 "[ ]" 1
1246 1 84 LEU HB2 1 86 SER H 5.000 . 7.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
1247 1 84 LEU HG 1 87 LEU H 5.000 . 7.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
1248 1 84 LEU MD1 1 87 LEU H 5.000 . 8.500 4.372 4.372 4.372 . 0 0 "[ ]" 1
1249 1 85 ARG H 1 85 ARG HB3 3.000 . 3.500 2.516 2.516 2.516 . 0 0 "[ ]" 1
1250 1 85 ARG H 1 85 ARG HB2 3.000 . 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 1
1251 1 85 ARG H 1 85 ARG HG3 5.000 . 7.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
1252 1 85 ARG H 1 85 ARG HG2 5.000 . 7.000 2.183 2.183 2.183 . 0 0 "[ ]" 1
1253 1 85 ARG H 1 85 ARG QG 4.000 . 6.000 2.091 2.091 2.091 . 0 0 "[ ]" 1
1254 1 85 ARG H 1 86 SER H 3.000 . 3.500 3.373 3.373 3.373 . 0 0 "[ ]" 1
1255 1 85 ARG HA 1 85 ARG HB3 2.700 . 2.900 2.470 2.470 2.470 . 0 0 "[ ]" 1
1256 1 85 ARG HB3 1 86 SER H 4.000 . 5.000 4.669 4.669 4.669 . 0 0 "[ ]" 1
1257 1 85 ARG HB2 1 86 SER H 4.000 . 5.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
1258 1 85 ARG QG 1 86 SER QB 5.000 . 9.000 2.764 2.764 2.764 . 0 0 "[ ]" 1
1259 1 85 ARG H 1 85 ARG QD 5.000 . 8.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
1260 1 85 ARG H 1 86 SER HA 5.000 . 7.000 5.593 5.593 5.593 . 0 0 "[ ]" 1
1261 1 85 ARG QG 1 86 SER H 5.000 . 8.000 3.681 3.681 3.681 . 0 0 "[ ]" 1
1262 1 86 SER H 1 87 LEU HA 4.000 . 5.000 4.932 4.932 4.932 . 0 0 "[ ]" 1
1263 1 86 SER HA 1 87 LEU H 2.700 . 2.900 2.416 2.416 2.416 . 0 0 "[ ]" 1
1264 1 86 SER HA 1 87 LEU HG 4.000 . 5.000 5.160 5.160 5.160 0.160 1 0 "[ ]" 1
1265 1 86 SER QB 1 87 LEU H 4.000 . 6.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
1266 1 86 SER H 1 87 LEU H 5.000 . 7.000 3.255 3.255 3.255 . 0 0 "[ ]" 1
1267 1 87 LEU H 1 87 LEU HG 4.000 . 5.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
1268 1 87 LEU H 1 87 LEU MD2 5.000 . 8.500 2.929 2.929 2.929 . 0 0 "[ ]" 1
1269 1 87 LEU H 1 88 PRO QD 5.000 . 8.000 4.433 4.433 4.433 . 0 0 "[ ]" 1
1270 1 87 LEU HA 1 87 LEU MD2 4.000 . 6.500 3.879 3.879 3.879 . 0 0 "[ ]" 1
1271 1 87 LEU HA 1 88 PRO QB 4.000 . 6.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
1272 1 87 LEU HA 1 88 PRO HD3 3.000 . 3.500 2.545 2.545 2.545 . 0 0 "[ ]" 1
1273 1 87 LEU HA 1 88 PRO HD2 3.000 . 3.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
1274 1 87 LEU HA 1 88 PRO QD 2.700 . 3.900 2.357 2.357 2.357 . 0 0 "[ ]" 1
1275 1 87 LEU QB 1 88 PRO HD3 5.000 . 8.000 2.883 2.883 2.883 . 0 0 "[ ]" 1
1276 1 87 LEU QB 1 88 PRO HD2 5.000 . 8.000 1.611 1.611 1.611 . 0 0 "[ ]" 1
1277 1 87 LEU QB 1 88 PRO QD 5.000 . 9.000 1.603 1.603 1.603 . 0 0 "[ ]" 1
1278 1 88 PRO HA 1 89 SER H 3.000 . 3.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
1279 1 88 PRO HA 1 90 PRO QD 5.000 . 8.000 5.561 5.561 5.561 . 0 0 "[ ]" 1
1280 1 88 PRO HB3 1 89 SER H 4.000 . 5.000 4.253 4.253 4.253 . 0 0 "[ ]" 1
1281 1 88 PRO HB2 1 89 SER H 4.000 . 5.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
1282 1 88 PRO QB 1 89 SER H 4.000 . 6.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
1283 1 89 SER H 1 89 SER QB 3.000 . 4.500 2.034 2.034 2.034 . 0 0 "[ ]" 1
1284 1 89 SER H 1 90 PRO QD 5.000 . 8.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
1285 1 89 SER QB 1 90 PRO HA 4.000 . 6.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
1286 1 90 PRO HA 1 91 GLY H 2.700 . 2.900 2.815 2.815 2.815 . 0 0 "[ ]" 1
1287 1 90 PRO HA 1 92 ALA H 4.000 . 5.000 5.206 5.206 5.206 0.206 1 0 "[ ]" 1
1288 1 90 PRO HB3 1 91 GLY H 4.000 . 5.000 3.185 3.185 3.185 . 0 0 "[ ]" 1
1289 1 90 PRO HB2 1 91 GLY H 4.000 . 5.000 1.845 1.845 1.845 . 0 0 "[ ]" 1
1290 1 90 PRO QB 1 91 GLY QA 4.000 . 7.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
1291 1 91 GLY H 1 92 ALA H 4.000 . 5.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
1292 1 91 GLY H 1 92 ALA MB 5.000 . 8.500 3.270 3.270 3.270 . 0 0 "[ ]" 1
1293 1 91 GLY HA3 1 92 ALA H 3.000 . 3.500 2.238 2.238 2.238 . 0 0 "[ ]" 1
1294 1 91 GLY HA3 1 92 ALA MB 5.000 . 8.500 4.102 4.102 4.102 . 0 0 "[ ]" 1
1295 1 91 GLY HA2 1 92 ALA H 3.000 . 3.500 3.461 3.461 3.461 . 0 0 "[ ]" 1
1296 1 91 GLY HA2 1 92 ALA MB 5.000 . 8.500 4.129 4.129 4.129 . 0 0 "[ ]" 1
1297 1 91 GLY QA 1 92 ALA MB 5.000 . 9.500 3.666 3.666 3.666 . 0 0 "[ ]" 1
1298 1 91 GLY H 1 94 VAL MG1 5.000 . 8.500 3.987 3.987 3.987 . 0 0 "[ ]" 1
1299 1 92 ALA H 1 93 THR H 3.000 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
1300 1 92 ALA HA 1 93 THR H 2.700 . 2.900 2.249 2.249 2.249 . 0 0 "[ ]" 1
1301 1 92 ALA MB 1 93 THR HB 5.000 . 8.500 3.860 3.860 3.860 . 0 0 "[ ]" 1
1302 1 92 ALA H 1 93 THR MG 5.000 . 8.500 6.509 6.509 6.509 . 0 0 "[ ]" 1
1303 1 92 ALA H 1 94 VAL HB 5.000 . 7.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
1304 1 92 ALA H 1 94 VAL MG1 5.000 . 8.500 2.729 2.729 2.729 . 0 0 "[ ]" 1
1305 1 92 ALA HA 1 94 VAL H 5.000 . 7.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
1306 1 93 THR H 1 93 THR HB 3.000 . 3.500 3.553 3.553 3.553 0.053 1 0 "[ ]" 1
1307 1 93 THR H 1 94 VAL H 3.000 . 3.500 2.822 2.822 2.822 . 0 0 "[ ]" 1
1308 1 93 THR HA 1 94 VAL H 2.700 . 2.900 3.063 3.063 3.063 0.163 1 0 "[ ]" 1
1309 1 93 THR HB 1 94 VAL H 4.000 . 5.000 3.853 3.853 3.853 . 0 0 "[ ]" 1
1310 1 93 THR H 1 94 VAL HB 5.000 . 7.000 5.249 5.249 5.249 . 0 0 "[ ]" 1
1311 1 93 THR MG 1 94 VAL H 5.000 . 8.500 4.216 4.216 4.216 . 0 0 "[ ]" 1
1312 1 94 VAL H 1 94 VAL HB 3.000 . 3.500 2.869 2.869 2.869 . 0 0 "[ ]" 1
1313 1 94 VAL H 1 95 THR MG 5.000 . 8.500 5.774 5.774 5.774 . 0 0 "[ ]" 1
1314 1 94 VAL HA 1 95 THR H 2.700 . 2.900 2.196 2.196 2.196 . 0 0 "[ ]" 1
1315 1 94 VAL HA 1 95 THR HA 4.000 . 5.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
1316 1 94 VAL HB 1 95 THR H 4.000 . 5.000 4.137 4.137 4.137 . 0 0 "[ ]" 1
1317 1 94 VAL HB 1 95 THR MG 4.000 . 6.500 5.246 5.246 5.246 . 0 0 "[ ]" 1
1318 1 94 VAL MG1 1 95 THR H 5.000 . 8.500 3.773 3.773 3.773 . 0 0 "[ ]" 1
1319 1 94 VAL MG2 1 95 THR HA 5.000 . 8.500 4.063 4.063 4.063 . 0 0 "[ ]" 1
1320 1 94 VAL MG2 1 95 THR HB 4.000 . 6.500 4.428 4.428 4.428 . 0 0 "[ ]" 1
1321 1 95 THR H 1 95 THR HB 3.000 . 3.500 2.428 2.428 2.428 . 0 0 "[ ]" 1
1322 1 95 THR HA 1 96 VAL H 2.700 . 2.900 2.455 2.455 2.455 . 0 0 "[ ]" 1
1323 1 95 THR HA 1 96 VAL HB 3.000 . 3.500 3.683 3.683 3.683 0.183 1 0 "[ ]" 1
1324 1 95 THR HB 1 96 VAL H 4.000 . 5.000 4.145 4.145 4.145 . 0 0 "[ ]" 1
1325 1 95 THR MG 1 96 VAL H 4.000 . 6.500 3.361 3.361 3.361 . 0 0 "[ ]" 1
1326 1 96 VAL H 1 96 VAL HB 4.000 . 5.000 2.711 2.711 2.711 . 0 0 "[ ]" 1
1327 1 96 VAL HA 1 96 VAL HB 2.700 . 2.900 2.886 2.886 2.886 . 0 0 "[ ]" 1
1328 1 96 VAL HA 1 97 GLY H 2.700 . 2.900 2.142 2.142 2.142 . 0 0 "[ ]" 1
1329 1 96 VAL HB 1 97 GLY H 4.000 . 5.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
1330 1 96 VAL MG2 1 97 GLY H 5.000 . 8.500 3.208 3.208 3.208 . 0 0 "[ ]" 1
1331 1 96 VAL MG2 1 97 GLY QA 5.000 . 9.500 4.655 4.655 4.655 . 0 0 "[ ]" 1
1332 1 97 GLY HA3 1 98 GLN H 3.000 . 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
1333 1 97 GLY HA2 1 98 GLN H 3.000 . 3.500 2.405 2.405 2.405 . 0 0 "[ ]" 1
1334 1 97 GLY QA 1 98 GLN H 2.700 . 3.900 2.368 2.368 2.368 . 0 0 "[ ]" 1
1335 1 97 GLY QA 1 99 ASP H 5.000 . 8.000 4.935 4.935 4.935 . 0 0 "[ ]" 1
1336 1 97 GLY H 1 98 GLN H 5.000 . 7.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
1337 1 98 GLN H 1 98 GLN HB3 3.000 . 3.500 3.313 3.313 3.313 . 0 0 "[ ]" 1
1338 1 98 GLN H 1 98 GLN HB2 3.000 . 3.500 2.042 2.042 2.042 . 0 0 "[ ]" 1
1339 1 98 GLN HA 1 98 GLN HB3 2.700 . 2.900 2.761 2.761 2.761 . 0 0 "[ ]" 1
1340 1 98 GLN HA 1 98 GLN HB2 2.700 . 2.900 2.893 2.893 2.893 . 0 0 "[ ]" 1
1341 1 98 GLN HA 1 98 GLN QE 5.000 . 8.000 2.068 2.068 2.068 . 0 0 "[ ]" 1
1342 1 98 GLN HA 1 99 ASP H 2.700 . 2.900 2.247 2.247 2.247 . 0 0 "[ ]" 1
1343 1 98 GLN HA 1 100 LEU MD1 4.000 . 6.500 4.671 4.671 4.671 . 0 0 "[ ]" 1
1344 1 98 GLN HB3 1 99 ASP H 4.000 . 5.000 3.686 3.686 3.686 . 0 0 "[ ]" 1
1345 1 98 GLN HB3 1 99 ASP HA 3.000 . 3.500 3.805 3.805 3.805 0.305 1 0 "[ ]" 1
1346 1 98 GLN HB3 1 99 ASP HB3 4.000 . 5.000 5.381 5.381 5.381 0.381 1 0 "[ ]" 1
1347 1 98 GLN HB3 1 99 ASP HB2 4.000 . 5.000 5.350 5.350 5.350 0.350 1 0 "[ ]" 1
1348 1 98 GLN HB2 1 98 GLN HE22 5.000 . 7.000 4.845 4.845 4.845 . 0 0 "[ ]" 1
1349 1 98 GLN HB2 1 99 ASP H 4.000 . 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 1
1350 1 98 GLN QG 1 99 ASP H 5.000 . 8.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
1351 1 98 GLN HE21 1 99 ASP HB3 5.000 . 7.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
1352 1 98 GLN HE21 1 100 LEU MD1 5.000 . 8.500 2.840 2.840 2.840 . 0 0 "[ ]" 1
1353 1 98 GLN HE22 1 99 ASP HB3 5.000 . 7.000 4.914 4.914 4.914 . 0 0 "[ ]" 1
1354 1 98 GLN HE22 1 100 LEU MD1 5.000 . 8.500 3.748 3.748 3.748 . 0 0 "[ ]" 1
1355 1 98 GLN QE 1 99 ASP HB3 5.000 . 8.000 4.241 4.241 4.241 . 0 0 "[ ]" 1
1356 1 98 GLN QE 1 100 LEU MD1 5.000 . 9.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
1357 1 98 GLN H 1 99 ASP H 5.000 . 7.000 4.492 4.492 4.492 . 0 0 "[ ]" 1
1358 1 98 GLN H 1 100 LEU H 5.000 . 7.000 7.029 7.029 7.029 0.029 1 0 "[ ]" 1
1359 1 98 GLN H 1 100 LEU MD1 5.000 . 8.500 6.517 6.517 6.517 . 0 0 "[ ]" 1
1360 1 99 ASP H 1 99 ASP HB3 3.000 . 3.500 2.240 2.240 2.240 . 0 0 "[ ]" 1
1361 1 99 ASP H 1 99 ASP HB2 3.000 . 3.500 3.307 3.307 3.307 . 0 0 "[ ]" 1
1362 1 99 ASP H 1 100 LEU H 4.000 . 5.000 4.283 4.283 4.283 . 0 0 "[ ]" 1
1363 1 99 ASP H 1 100 LEU MD2 5.000 . 8.500 6.262 6.262 6.262 . 0 0 "[ ]" 1
1364 1 99 ASP HA 1 99 ASP HB3 2.700 . 2.900 2.912 2.912 2.912 0.012 1 0 "[ ]" 1
1365 1 99 ASP HA 1 99 ASP HB2 2.700 . 2.900 2.218 2.218 2.218 . 0 0 "[ ]" 1
1366 1 99 ASP HA 1 100 LEU H 2.700 . 2.900 2.032 2.032 2.032 . 0 0 "[ ]" 1
1367 1 99 ASP HA 1 101 GLY H 4.000 . 5.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
1368 1 99 ASP HB3 1 100 LEU H 4.000 . 5.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
1369 1 99 ASP HB2 1 100 LEU H 4.000 . 5.000 3.895 3.895 3.895 . 0 0 "[ ]" 1
1370 1 99 ASP HB2 1 101 GLY H 4.000 . 5.000 4.827 4.827 4.827 . 0 0 "[ ]" 1
1371 1 99 ASP HB2 1 102 ASP QB 4.000 . 6.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
1372 1 99 ASP HB3 1 101 GLY H 5.000 . 7.000 4.894 4.894 4.894 . 0 0 "[ ]" 1
1373 1 100 LEU H 1 100 LEU HB3 3.000 . 3.500 3.055 3.055 3.055 . 0 0 "[ ]" 1
1374 1 100 LEU H 1 100 LEU HB2 4.000 . 5.000 2.307 2.307 2.307 . 0 0 "[ ]" 1
1375 1 100 LEU H 1 100 LEU HG 4.000 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
1376 1 100 LEU H 1 100 LEU MD1 5.000 . 8.500 3.531 3.531 3.531 . 0 0 "[ ]" 1
1377 1 100 LEU H 1 101 GLY H 3.000 . 3.500 3.053 3.053 3.053 . 0 0 "[ ]" 1
1378 1 100 LEU HA 1 100 LEU HB3 2.700 . 2.900 2.903 2.903 2.903 0.003 1 0 "[ ]" 1
1379 1 100 LEU HA 1 100 LEU HB2 2.700 . 2.900 2.765 2.765 2.765 . 0 0 "[ ]" 1
1380 1 100 LEU HA 1 100 LEU HG 4.000 . 5.000 2.333 2.333 2.333 . 0 0 "[ ]" 1
1381 1 100 LEU HA 1 100 LEU MD1 4.000 . 6.500 2.169 2.169 2.169 . 0 0 "[ ]" 1
1382 1 100 LEU HA 1 101 GLY QA 4.000 . 6.000 4.055 4.055 4.055 . 0 0 "[ ]" 1
1383 1 100 LEU HB3 1 101 GLY H 4.000 . 5.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
1384 1 100 LEU HB3 1 102 ASP H 3.000 . 3.500 3.872 3.872 3.872 0.372 1 0 "[ ]" 1
1385 1 100 LEU HB2 1 101 GLY H 4.000 . 5.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
1386 1 100 LEU HG 1 101 GLY H 5.000 . 7.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
1387 1 100 LEU H 1 101 GLY QA 5.000 . 8.000 4.487 4.487 4.487 . 0 0 "[ ]" 1
1388 1 100 LEU MD1 1 101 GLY H 5.000 . 8.500 4.493 4.493 4.493 . 0 0 "[ ]" 1
1389 1 101 GLY H 1 102 ASP HA 4.000 . 5.000 4.843 4.843 4.843 . 0 0 "[ ]" 1
1390 1 101 GLY HA3 1 102 ASP H 3.000 . 3.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
1391 1 101 GLY HA2 1 102 ASP H 3.000 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1
1392 1 102 ASP H 1 102 ASP HB3 3.000 . 3.500 3.626 3.626 3.626 0.126 1 0 "[ ]" 1
1393 1 102 ASP H 1 102 ASP HB2 3.000 . 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 1
1394 1 102 ASP H 1 102 ASP QB 3.000 . 4.500 2.699 2.699 2.699 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 5 PRO 0.000 0.000 . 0 "[ ]"
1 9 LEU 0.000 0.000 . 0 "[ ]"
1 17 LEU 0.000 0.000 . 0 "[ ]"
1 26 ALA 0.000 0.000 . 0 "[ ]"
1 28 ASP 0.000 0.000 . 0 "[ ]"
1 29 MET 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.000 0.000 . 0 "[ ]"
1 41 ALA 0.000 0.000 . 0 "[ ]"
1 44 ARG 0.000 0.000 . 0 "[ ]"
1 47 ALA 0.000 0.000 . 0 "[ ]"
1 54 LEU 0.000 0.000 . 0 "[ ]"
1 78 VAL 0.000 0.000 . 0 "[ ]"
1 82 ALA 0.000 0.000 . 0 "[ ]"
1 83 GLN 0.000 0.000 . 0 "[ ]"
1 84 LEU 0.000 0.000 . 0 "[ ]"
1 87 LEU 0.000 0.000 . 0 "[ ]"
1 94 VAL 0.000 0.000 . 0 "[ ]"
1 96 VAL 0.000 0.000 . 0 "[ ]"
1 98 GLN 0.000 0.000 . 0 "[ ]"
1 100 LEU 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 5 PRO HB3 1 17 LEU MD2 4.000 . 6.500 4.275 4.275 4.275 . 0 0 "[ ]" 2
2 1 5 PRO HB2 1 47 ALA MB 4.000 . 6.500 3.996 3.996 3.996 . 0 0 "[ ]" 2
3 1 9 LEU QD 1 98 GLN HB3 4.000 . 7.500 3.574 3.574 3.574 . 0 0 "[ ]" 2
4 1 9 LEU MD1 1 100 LEU MD1 4.000 . 8.000 1.694 1.694 1.694 . 0 0 "[ ]" 2
5 1 9 LEU MD2 1 100 LEU MD1 4.000 . 8.000 3.303 3.303 3.303 . 0 0 "[ ]" 2
6 1 9 LEU HB2 1 100 LEU MD2 4.000 . 6.500 1.837 1.837 1.837 . 0 0 "[ ]" 2
7 1 9 LEU HB3 1 100 LEU HB3 5.000 . 7.000 5.589 5.589 5.589 . 0 0 "[ ]" 2
8 1 26 ALA MB 1 100 LEU MD1 4.000 . 8.000 3.723 3.723 3.723 . 0 0 "[ ]" 2
9 1 26 ALA MB 1 100 LEU MD2 4.000 . 8.000 2.959 2.959 2.959 . 0 0 "[ ]" 2
10 1 26 ALA MB 1 100 LEU HB3 4.000 . 6.500 3.517 3.517 3.517 . 0 0 "[ ]" 2
11 1 28 ASP HB2 1 100 LEU HB3 5.000 . 7.000 6.426 6.426 6.426 . 0 0 "[ ]" 2
12 1 29 MET HB2 1 30 GLU QB 4.000 . 6.000 4.666 4.666 4.666 . 0 0 "[ ]" 2
13 1 29 MET HB3 1 100 LEU HB2 4.000 . 5.000 2.079 2.079 2.079 . 0 0 "[ ]" 2
14 1 39 LEU HB2 1 94 VAL MG1 5.000 . 8.500 4.951 4.951 4.951 . 0 0 "[ ]" 2
15 1 41 ALA MB 1 44 ARG HB3 4.000 . 6.500 4.632 4.632 4.632 . 0 0 "[ ]" 2
16 1 54 LEU MD1 1 78 VAL HB 4.000 . 6.500 3.914 3.914 3.914 . 0 0 "[ ]" 2
17 1 78 VAL MG1 1 82 ALA MB 4.000 . 8.000 1.868 1.868 1.868 . 0 0 "[ ]" 2
18 1 83 GLN HB2 1 87 LEU MD2 4.000 . 6.500 3.796 3.796 3.796 . 0 0 "[ ]" 2
19 1 84 LEU MD1 1 87 LEU MD2 4.000 . 8.000 2.860 2.860 2.860 . 0 0 "[ ]" 2
20 1 94 VAL MG2 1 96 VAL MG2 4.000 . 8.000 2.521 2.521 2.521 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 1.178
_Distance_constraint_stats_list.Viol_max 0.412
_Distance_constraint_stats_list.Viol_rms 0.1829
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1963
_Distance_constraint_stats_list.Viol_average_violations_only 0.2944
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 4 CYS 0.766 0.358 1 0 "[ ]"
1 10 CYS 0.766 0.358 1 0 "[ ]"
1 64 CYS 0.412 0.412 1 0 "[ ]"
1 69 CYS 0.412 0.412 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 4 CYS SG 1 10 CYS SG 2.020 . 2.120 2.478 2.478 2.478 0.358 1 0 "[ ]" 3
2 1 4 CYS CB 1 10 CYS SG 2.990 2.490 3.490 3.666 3.666 3.666 0.176 1 0 "[ ]" 3
3 1 4 CYS SG 1 10 CYS CB 2.990 2.490 3.490 3.721 3.721 3.721 0.231 1 0 "[ ]" 3
4 1 64 CYS SG 1 69 CYS SG 2.020 . 2.120 2.532 2.532 2.532 0.412 1 0 "[ ]" 3
5 1 64 CYS CB 1 69 CYS SG 2.990 2.490 3.490 3.171 3.171 3.171 . 0 0 "[ ]" 3
6 1 64 CYS SG 1 69 CYS CB 2.990 2.490 3.490 3.122 3.122 3.122 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 29
_Distance_constraint_stats_list.Viol_total 3.190
_Distance_constraint_stats_list.Viol_max 0.311
_Distance_constraint_stats_list.Viol_rms 0.0784
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0498
_Distance_constraint_stats_list.Viol_average_violations_only 0.1100
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 8 SER 0.005 0.005 1 0 "[ ]"
1 9 LEU 0.000 0.000 . 0 "[ ]"
1 10 CYS 0.382 0.237 1 0 "[ ]"
1 11 THR 0.083 0.041 1 0 "[ ]"
1 12 TYR 0.082 0.082 1 0 "[ ]"
1 13 SER 0.196 0.154 1 0 "[ ]"
1 20 ALA 0.196 0.154 1 0 "[ ]"
1 22 THR 0.083 0.041 1 0 "[ ]"
1 24 ILE 0.000 0.000 . 0 "[ ]"
1 33 GLY 0.266 0.201 1 0 "[ ]"
1 35 ASP 0.466 0.225 1 0 "[ ]"
1 37 VAL 0.180 0.106 1 0 "[ ]"
1 39 LEU 0.311 0.311 1 0 "[ ]"
1 45 SER 0.082 0.082 1 0 "[ ]"
1 46 PHE 0.138 0.137 1 0 "[ ]"
1 47 ALA 0.382 0.237 1 0 "[ ]"
1 48 ASN 0.312 0.188 1 0 "[ ]"
1 49 GLY 0.005 0.005 1 0 "[ ]"
1 50 THR 0.126 0.126 1 0 "[ ]"
1 53 THR 0.057 0.057 1 0 "[ ]"
1 54 LEU 0.078 0.078 1 0 "[ ]"
1 55 ARG 0.000 0.000 . 0 "[ ]"
1 57 GLY 0.109 0.109 1 0 "[ ]"
1 59 ALA 0.400 0.217 1 0 "[ ]"
1 60 ARG 0.000 0.000 . 0 "[ ]"
1 71 GLN 0.000 0.000 . 0 "[ ]"
1 78 VAL 0.078 0.078 1 0 "[ ]"
1 85 ARG 0.126 0.126 1 0 "[ ]"
1 87 LEU 0.312 0.188 1 0 "[ ]"
1 89 SER 0.138 0.137 1 0 "[ ]"
1 93 THR 0.400 0.217 1 0 "[ ]"
1 94 VAL 0.311 0.311 1 0 "[ ]"
1 95 THR 0.109 0.109 1 0 "[ ]"
1 96 VAL 0.180 0.106 1 0 "[ ]"
1 97 GLY 0.000 0.000 . 0 "[ ]"
1 98 GLN 0.466 0.225 1 0 "[ ]"
1 99 ASP 0.057 0.057 1 0 "[ ]"
1 100 LEU 0.266 0.201 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 8 SER O 1 49 GLY N 3.300 2.500 3.500 3.335 3.335 3.335 . 0 0 "[ ]" 4
2 1 8 SER O 1 49 GLY H 2.300 . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 4
3 1 10 CYS N 1 47 ALA O 3.300 2.500 3.500 3.397 3.397 3.397 . 0 0 "[ ]" 4
4 1 10 CYS H 1 47 ALA O 2.300 . 2.500 2.737 2.737 2.737 0.237 1 0 "[ ]" 4
5 1 10 CYS O 1 47 ALA N 3.300 2.500 3.500 3.366 3.366 3.366 . 0 0 "[ ]" 4
6 1 10 CYS O 1 47 ALA H 2.300 . 2.500 2.645 2.645 2.645 0.145 1 0 "[ ]" 4
7 1 12 TYR N 1 45 SER O 3.300 2.500 3.500 3.274 3.274 3.274 . 0 0 "[ ]" 4
8 1 12 TYR H 1 45 SER O 2.300 . 2.500 2.469 2.469 2.469 . 0 0 "[ ]" 4
9 1 12 TYR O 1 45 SER N 3.300 2.500 3.500 3.332 3.332 3.332 . 0 0 "[ ]" 4
10 1 12 TYR O 1 45 SER H 2.300 . 2.500 2.582 2.582 2.582 0.082 1 0 "[ ]" 4
11 1 13 SER O 1 20 ALA N 3.300 2.500 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 4
12 1 13 SER O 1 20 ALA H 2.300 . 2.500 2.654 2.654 2.654 0.154 1 0 "[ ]" 4
13 1 13 SER N 1 20 ALA O 3.300 2.500 3.500 3.200 3.200 3.200 . 0 0 "[ ]" 4
14 1 13 SER H 1 20 ALA O 2.300 . 2.500 2.518 2.518 2.518 0.018 1 0 "[ ]" 4
15 1 11 THR O 1 22 THR N 3.300 2.500 3.500 2.471 2.471 2.471 0.029 1 0 "[ ]" 4
16 1 11 THR O 1 22 THR H 2.300 . 2.500 1.487 1.487 1.487 0.013 1 0 "[ ]" 4
17 1 11 THR N 1 22 THR O 3.300 2.500 3.500 2.870 2.870 2.870 . 0 0 "[ ]" 4
18 1 11 THR H 1 22 THR O 2.300 . 2.500 2.541 2.541 2.541 0.041 1 0 "[ ]" 4
19 1 9 LEU O 1 24 ILE N 3.300 2.500 3.500 2.834 2.834 2.834 . 0 0 "[ ]" 4
20 1 9 LEU O 1 24 ILE H 2.300 . 2.500 2.119 2.119 2.119 . 0 0 "[ ]" 4
21 1 9 LEU N 1 24 ILE O 3.300 2.500 3.500 2.699 2.699 2.699 . 0 0 "[ ]" 4
22 1 9 LEU H 1 24 ILE O 2.300 . 2.500 1.799 1.799 1.799 . 0 0 "[ ]" 4
23 1 35 ASP N 1 98 GLN O 3.300 2.500 3.500 2.820 2.820 2.820 . 0 0 "[ ]" 4
24 1 35 ASP H 1 98 GLN O 2.300 . 2.800 3.025 3.025 3.025 0.225 1 0 "[ ]" 4
25 1 35 ASP O 1 98 GLN N 3.300 2.500 3.500 3.545 3.545 3.545 0.045 1 0 "[ ]" 4
26 1 35 ASP O 1 98 GLN H 2.300 . 2.500 2.696 2.696 2.696 0.196 1 0 "[ ]" 4
27 1 37 VAL N 1 96 VAL O 3.300 2.500 3.500 3.574 3.574 3.574 0.074 1 0 "[ ]" 4
28 1 37 VAL H 1 96 VAL O 2.300 . 2.500 2.606 2.606 2.606 0.106 1 0 "[ ]" 4
29 1 37 VAL O 1 96 VAL N 3.300 2.500 3.500 2.781 2.781 2.781 . 0 0 "[ ]" 4
30 1 37 VAL O 1 96 VAL H 2.300 . 2.500 1.838 1.838 1.838 . 0 0 "[ ]" 4
31 1 39 LEU N 1 94 VAL O 3.300 2.500 3.500 3.203 3.203 3.203 . 0 0 "[ ]" 4
32 1 39 LEU H 1 94 VAL O 2.300 . 2.500 2.811 2.811 2.811 0.311 1 0 "[ ]" 4
33 1 33 GLY O 1 100 LEU N 3.300 2.500 3.500 3.565 3.565 3.565 0.065 1 0 "[ ]" 4
34 1 33 GLY O 1 100 LEU H 2.300 . 2.500 2.701 2.701 2.701 0.201 1 0 "[ ]" 4
35 1 46 PHE N 1 89 SER O 3.300 2.500 3.500 3.451 3.451 3.451 . 0 0 "[ ]" 4
36 1 46 PHE H 1 89 SER O 2.300 . 2.500 2.637 2.637 2.637 0.137 1 0 "[ ]" 4
37 1 46 PHE O 1 89 SER N 3.300 2.500 3.500 2.499 2.499 2.499 0.001 1 0 "[ ]" 4
38 1 46 PHE O 1 89 SER H 2.300 . 2.500 1.589 1.589 1.589 . 0 0 "[ ]" 4
39 1 48 ASN N 1 87 LEU O 3.300 2.500 3.500 2.396 2.396 2.396 0.104 1 0 "[ ]" 4
40 1 48 ASN H 1 87 LEU O 2.300 . 2.500 1.480 1.480 1.480 0.020 1 0 "[ ]" 4
41 1 48 ASN O 1 87 LEU N 3.300 2.500 3.500 3.428 3.428 3.428 . 0 0 "[ ]" 4
42 1 48 ASN O 1 87 LEU H 2.300 . 2.500 2.688 2.688 2.688 0.188 1 0 "[ ]" 4
43 1 50 THR N 1 85 ARG O 3.300 2.500 3.500 3.114 3.114 3.114 . 0 0 "[ ]" 4
44 1 50 THR H 1 85 ARG O 2.300 . 2.500 2.626 2.626 2.626 0.126 1 0 "[ ]" 4
45 1 53 THR N 1 99 ASP O 3.300 2.500 3.500 2.833 2.833 2.833 . 0 0 "[ ]" 4
46 1 53 THR H 1 99 ASP O 2.300 . 2.500 2.557 2.557 2.557 0.057 1 0 "[ ]" 4
47 1 53 THR O 1 99 ASP N 3.300 2.500 3.500 3.244 3.244 3.244 . 0 0 "[ ]" 4
48 1 53 THR O 1 99 ASP H 2.300 . 2.500 2.431 2.431 2.431 . 0 0 "[ ]" 4
49 1 55 ARG N 1 97 GLY O 3.300 2.500 3.500 3.466 3.466 3.466 . 0 0 "[ ]" 4
50 1 55 ARG H 1 97 GLY O 2.300 . 2.500 2.495 2.495 2.495 . 0 0 "[ ]" 4
51 1 55 ARG O 1 97 GLY N 3.300 2.500 3.500 2.536 2.536 2.536 . 0 0 "[ ]" 4
52 1 55 ARG O 1 97 GLY H 2.300 . 2.500 1.600 1.600 1.600 . 0 0 "[ ]" 4
53 1 57 GLY N 1 95 THR O 3.300 2.500 3.500 3.490 3.490 3.490 . 0 0 "[ ]" 4
54 1 57 GLY H 1 95 THR O 2.300 . 2.500 2.609 2.609 2.609 0.109 1 0 "[ ]" 4
55 1 57 GLY O 1 95 THR N 3.300 2.500 3.500 2.967 2.967 2.967 . 0 0 "[ ]" 4
56 1 57 GLY O 1 95 THR H 2.300 . 2.500 2.043 2.043 2.043 . 0 0 "[ ]" 4
57 1 59 ALA N 1 93 THR O 3.300 2.500 3.500 3.683 3.683 3.683 0.183 1 0 "[ ]" 4
58 1 59 ALA H 1 93 THR O 2.300 . 2.500 2.717 2.717 2.717 0.217 1 0 "[ ]" 4
59 1 54 LEU N 1 78 VAL O 3.300 2.500 3.500 3.429 3.429 3.429 . 0 0 "[ ]" 4
60 1 54 LEU H 1 78 VAL O 2.300 . 2.500 2.578 2.578 2.578 0.078 1 0 "[ ]" 4
61 1 54 LEU O 1 78 VAL N 3.300 2.500 3.500 2.736 2.736 2.736 . 0 0 "[ ]" 4
62 1 54 LEU O 1 78 VAL H 2.300 . 2.500 1.800 1.800 1.800 . 0 0 "[ ]" 4
63 1 60 ARG N 1 71 GLN O 3.300 2.500 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 4
64 1 60 ARG H 1 71 GLN O 2.300 . 2.500 2.180 2.180 2.180 . 0 0 "[ ]" 4
stop_
save_
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