NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617162 |
5x39   |
36055 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5x39
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 859
_Distance_constraint_stats_list.Viol_count 671
_Distance_constraint_stats_list.Viol_total 256.524
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0191
_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 THR 0.574 0.068 3 0 "[ . 1 . 2]"
1 2 ALA 0.406 0.068 3 0 "[ . 1 . 2]"
1 3 SER 0.690 0.098 19 0 "[ . 1 . 2]"
1 4 HIS 1.158 0.060 4 0 "[ . 1 . 2]"
1 5 TYR 1.878 0.072 7 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLN 1.245 0.086 16 0 "[ . 1 . 2]"
1 8 CYS 0.234 0.036 2 0 "[ . 1 . 2]"
1 9 GLY 1.206 0.063 12 0 "[ . 1 . 2]"
1 10 GLY 0.337 0.052 11 0 "[ . 1 . 2]"
1 11 ILE 0.773 0.055 4 0 "[ . 1 . 2]"
1 12 GLY 0.338 0.055 4 0 "[ . 1 . 2]"
1 13 TYR 0.306 0.037 12 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.940 0.043 1 0 "[ . 1 . 2]"
1 16 PRO 0.911 0.043 1 0 "[ . 1 . 2]"
1 17 THR 0.725 0.044 18 0 "[ . 1 . 2]"
1 18 VAL 0.174 0.052 11 0 "[ . 1 . 2]"
1 19 CYS 0.745 0.039 12 0 "[ . 1 . 2]"
1 20 ALA 0.775 0.076 1 0 "[ . 1 . 2]"
1 21 SER 0.013 0.013 7 0 "[ . 1 . 2]"
1 22 GLY 0.030 0.022 9 0 "[ . 1 . 2]"
1 23 THR 1.056 0.075 13 0 "[ . 1 . 2]"
1 24 THR 0.868 0.057 12 0 "[ . 1 . 2]"
1 25 CYS 0.804 0.048 14 0 "[ . 1 . 2]"
1 26 GLN 1.706 0.055 4 0 "[ . 1 . 2]"
1 27 VAL 0.562 0.063 12 0 "[ . 1 . 2]"
1 28 LEU 1.134 0.057 2 0 "[ . 1 . 2]"
1 29 ASN 0.312 0.020 1 0 "[ . 1 . 2]"
1 30 PRO 1.081 0.063 12 0 "[ . 1 . 2]"
1 31 TYR 0.546 0.048 4 0 "[ . 1 . 2]"
1 32 TYR 1.457 0.057 2 0 "[ . 1 . 2]"
1 33 SER 0.904 0.086 16 0 "[ . 1 . 2]"
1 34 GLN 0.935 0.040 9 0 "[ . 1 . 2]"
1 35 CYS 3.177 0.075 13 0 "[ . 1 . 2]"
1 36 LEU 0.925 0.055 4 0 "[ . 1 . 2]"
2 1 MAN 0.363 0.098 19 0 "[ . 1 . 2]"
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 THR HA 1 1 THR HB 2.650 . 3.500 2.660 2.521 3.022 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HA 1 1 THR MG 2.650 . 2.800 2.270 2.242 2.321 . 0 0 "[ . 1 . 2]" 1
3 1 1 THR HA 1 2 ALA H 3.150 . 3.500 2.382 2.271 2.650 . 0 0 "[ . 1 . 2]" 1
4 1 1 THR HA 1 2 ALA MB 3.650 . 5.500 3.982 3.601 4.116 . 0 0 "[ . 1 . 2]" 1
5 1 1 THR HA 1 16 PRO HB2 3.650 . 4.500 2.992 2.132 4.112 . 0 0 "[ . 1 . 2]" 1
6 1 1 THR HA 1 16 PRO HB3 3.650 . 4.500 3.316 2.865 4.340 . 0 0 "[ . 1 . 2]" 1
7 1 1 THR HA 1 16 PRO QG 2.650 . 3.500 3.294 3.058 3.491 . 0 0 "[ . 1 . 2]" 1
8 1 1 THR HA 1 17 THR H 3.650 . 5.500 5.202 4.307 5.518 0.018 5 0 "[ . 1 . 2]" 1
9 1 1 THR HA 1 18 VAL H 3.650 . 5.500 4.075 3.470 4.383 . 0 0 "[ . 1 . 2]" 1
10 1 1 THR HA 1 18 VAL HB 3.650 . 4.500 3.481 3.072 3.917 . 0 0 "[ . 1 . 2]" 1
11 1 1 THR HA 1 18 VAL MG1 3.150 . 4.500 4.193 3.598 4.509 0.009 19 0 "[ . 1 . 2]" 1
12 1 1 THR HB 1 2 ALA H . . 3.500 2.681 2.115 3.568 0.068 3 0 "[ . 1 . 2]" 1
13 1 1 THR HB 1 2 ALA MB 3.650 . 5.500 4.012 3.726 4.432 . 0 0 "[ . 1 . 2]" 1
14 1 1 THR HB 1 3 SER H 3.650 . 5.500 4.842 4.548 5.090 . 0 0 "[ . 1 . 2]" 1
15 1 1 THR HB 1 21 SER H 3.150 . 4.500 3.604 3.461 3.772 . 0 0 "[ . 1 . 2]" 1
16 1 1 THR HB 1 18 VAL MG1 3.150 . 4.500 3.997 3.499 4.552 0.052 11 0 "[ . 1 . 2]" 1
17 1 1 THR HB 1 20 ALA MB 2.650 . 3.500 3.253 2.506 3.546 0.046 11 0 "[ . 1 . 2]" 1
18 1 1 THR MG 1 2 ALA H 3.650 . 5.500 3.203 2.110 3.612 . 0 0 "[ . 1 . 2]" 1
19 1 1 THR MG 1 18 VAL HB 3.150 . 4.500 2.946 2.244 3.672 . 0 0 "[ . 1 . 2]" 1
20 1 1 THR MG 1 18 VAL MG1 2.650 . 3.500 2.686 2.361 2.994 . 0 0 "[ . 1 . 2]" 1
21 1 1 THR MG 1 19 CYS H 3.650 . 5.500 2.933 2.741 3.129 . 0 0 "[ . 1 . 2]" 1
22 1 1 THR MG 1 19 CYS HA 3.150 . 4.500 3.963 2.781 4.468 . 0 0 "[ . 1 . 2]" 1
23 1 1 THR MG 1 20 ALA H 3.650 . 5.500 4.178 2.865 4.869 . 0 0 "[ . 1 . 2]" 1
24 1 1 THR MG 1 20 ALA HA 3.150 . 3.500 2.850 2.102 3.499 . 0 0 "[ . 1 . 2]" 1
25 1 1 THR MG 1 21 SER H 3.650 . 5.500 4.628 3.701 5.513 0.013 7 0 "[ . 1 . 2]" 1
26 1 2 ALA H 1 2 ALA MB 2.650 . 3.500 2.263 2.234 2.303 . 0 0 "[ . 1 . 2]" 1
27 1 2 ALA H 1 16 PRO HB2 3.650 . 5.500 3.064 2.667 3.531 . 0 0 "[ . 1 . 2]" 1
28 1 2 ALA H 1 16 PRO HB2 3.650 . 5.500 2.396 2.196 2.529 . 0 0 "[ . 1 . 2]" 1
29 1 2 ALA H 1 16 PRO QG 3.650 . 5.500 3.810 3.637 4.029 . 0 0 "[ . 1 . 2]" 1
30 1 2 ALA H 1 19 CYS HA 2.650 . 3.500 2.446 2.114 2.840 . 0 0 "[ . 1 . 2]" 1
31 1 2 ALA H 1 20 ALA H 3.650 . 5.500 4.069 3.619 4.627 . 0 0 "[ . 1 . 2]" 1
32 1 2 ALA HA 1 2 ALA MB 2.300 . 2.800 1.860 1.792 2.017 0.008 20 0 "[ . 1 . 2]" 1
33 1 2 ALA HA 1 3 SER H 2.300 . 2.800 2.180 2.002 2.324 . 0 0 "[ . 1 . 2]" 1
34 1 2 ALA HA 1 8 CYS HB2 3.650 . 5.500 4.560 4.390 4.724 . 0 0 "[ . 1 . 2]" 1
35 1 2 ALA HA 1 13 TYR QE 3.150 . 4.500 4.311 4.005 4.515 0.015 11 0 "[ . 1 . 2]" 1
36 1 2 ALA HA 1 13 TYR QE 3.650 . 5.500 4.094 3.802 4.374 . 0 0 "[ . 1 . 2]" 1
37 1 2 ALA HA 1 35 CYS HB2 3.150 . 4.500 4.274 4.162 4.340 . 0 0 "[ . 1 . 2]" 1
38 1 2 ALA MB 1 3 SER H 3.150 . 4.500 2.813 2.360 3.278 . 0 0 "[ . 1 . 2]" 1
39 1 2 ALA MB 1 4 HIS HA 3.650 . 5.500 4.078 3.940 4.241 . 0 0 "[ . 1 . 2]" 1
40 1 2 ALA MB 1 6 GLY HA3 3.650 . 5.500 2.897 2.496 3.392 . 0 0 "[ . 1 . 2]" 1
41 1 2 ALA MB 1 8 CYS H 3.650 . 5.500 3.596 3.347 3.797 . 0 0 "[ . 1 . 2]" 1
42 1 2 ALA MB 1 8 CYS HA 3.150 . 3.500 2.329 2.137 2.555 . 0 0 "[ . 1 . 2]" 1
43 1 2 ALA MB 1 8 CYS HB2 3.150 . 3.500 2.799 2.642 3.196 . 0 0 "[ . 1 . 2]" 1
44 1 2 ALA MB 1 8 CYS HB3 2.650 . 3.500 2.363 2.194 2.610 . 0 0 "[ . 1 . 2]" 1
45 1 2 ALA MB 1 16 PRO HB2 3.650 . 5.500 2.960 2.270 3.491 . 0 0 "[ . 1 . 2]" 1
46 1 2 ALA MB 1 16 PRO QG 3.150 . 3.500 3.497 3.355 3.528 0.028 18 0 "[ . 1 . 2]" 1
47 1 2 ALA MB 1 17 THR HA 3.650 . 5.500 3.183 2.918 3.430 . 0 0 "[ . 1 . 2]" 1
48 1 2 ALA MB 1 18 VAL H 3.650 . 5.500 3.570 3.338 3.735 . 0 0 "[ . 1 . 2]" 1
49 1 2 ALA MB 1 18 VAL H 3.650 . 5.500 3.890 3.493 4.212 . 0 0 "[ . 1 . 2]" 1
50 1 2 ALA MB 1 19 CYS HB3 3.150 . 4.500 3.387 3.244 3.532 . 0 0 "[ . 1 . 2]" 1
51 1 3 SER H 1 3 SER HB2 3.150 . 4.500 3.507 3.404 3.606 . 0 0 "[ . 1 . 2]" 1
52 1 3 SER H 1 3 SER HB3 3.150 . 4.500 2.841 2.527 3.062 . 0 0 "[ . 1 . 2]" 1
53 1 3 SER H 1 3 SER HB3 2.650 . 3.500 2.732 2.467 2.931 . 0 0 "[ . 1 . 2]" 1
54 1 3 SER H 1 4 HIS H 3.650 . 5.500 3.925 3.794 4.085 . 0 0 "[ . 1 . 2]" 1
55 1 3 SER H 1 16 PRO QG 3.650 . 5.500 4.599 4.228 5.067 . 0 0 "[ . 1 . 2]" 1
56 1 3 SER H 2 1 MAN H1 3.650 . 5.500 4.093 3.275 4.450 . 0 0 "[ . 1 . 2]" 1
57 1 3 SER H 2 1 MAN H2 3.650 . 5.500 4.130 3.137 4.617 . 0 0 "[ . 1 . 2]" 1
58 1 3 SER H 2 1 MAN H3 3.650 . 5.500 3.868 2.665 5.535 0.035 14 0 "[ . 1 . 2]" 1
59 1 3 SER H 2 1 MAN H5 3.650 . 5.500 3.082 2.080 5.598 0.098 19 0 "[ . 1 . 2]" 1
60 1 3 SER HA 1 3 SER HB2 2.650 . 2.800 2.524 2.422 2.614 . 0 0 "[ . 1 . 2]" 1
61 1 3 SER HA 1 3 SER HB3 2.300 . 2.800 2.318 2.260 2.389 . 0 0 "[ . 1 . 2]" 1
62 1 3 SER HA 1 3 SER HB3 2.300 . 2.800 2.181 2.141 2.241 . 0 0 "[ . 1 . 2]" 1
63 1 3 SER HA 1 4 HIS H 2.650 . 3.500 2.317 2.157 2.441 . 0 0 "[ . 1 . 2]" 1
64 1 3 SER HA 1 4 HIS HB2 2.650 . 3.500 2.966 2.950 2.975 . 0 0 "[ . 1 . 2]" 1
65 1 3 SER HA 1 20 ALA MB 2.300 . 2.800 2.125 2.099 2.134 . 0 0 "[ . 1 . 2]" 1
66 1 3 SER HA 1 20 ALA H 3.650 . 5.500 4.169 3.848 4.573 . 0 0 "[ . 1 . 2]" 1
67 1 3 SER HA 1 20 ALA MB 2.650 . 3.500 3.449 2.979 3.576 0.076 1 0 "[ . 1 . 2]" 1
68 1 3 SER HA 1 23 THR MG 3.650 . 4.500 3.611 3.398 3.802 . 0 0 "[ . 1 . 2]" 1
69 1 3 SER HA 1 35 CYS HB2 3.150 . 4.500 3.376 3.212 3.523 . 0 0 "[ . 1 . 2]" 1
70 1 3 SER HB2 1 4 HIS H 3.150 . 4.500 2.581 2.300 3.055 . 0 0 "[ . 1 . 2]" 1
71 1 3 SER HB2 1 4 HIS H 2.650 . 3.500 2.384 2.207 2.603 . 0 0 "[ . 1 . 2]" 1
72 1 3 SER HB2 2 1 MAN H5 2.650 . 3.500 3.381 3.257 3.526 0.026 4 0 "[ . 1 . 2]" 1
73 1 3 SER HB2 2 1 MAN H1 3.150 . 3.500 2.641 2.366 3.325 . 0 0 "[ . 1 . 2]" 1
74 1 3 SER HB3 1 4 HIS H 3.150 . 4.500 3.721 3.396 3.865 . 0 0 "[ . 1 . 2]" 1
75 1 3 SER HB3 2 1 MAN H1 2.650 . 2.800 2.655 2.140 2.837 0.037 7 0 "[ . 1 . 2]" 1
76 1 3 SER HB3 2 1 MAN H1 2.300 . 2.800 2.543 1.891 2.812 0.012 1 0 "[ . 1 . 2]" 1
77 1 4 HIS H 1 4 HIS HB2 2.650 . 3.500 2.375 2.251 2.497 . 0 0 "[ . 1 . 2]" 1
78 1 4 HIS H 1 4 HIS HB3 2.650 . 3.500 2.606 2.481 2.681 . 0 0 "[ . 1 . 2]" 1
79 1 4 HIS H 1 4 HIS HD2 3.650 . 5.500 3.648 3.502 3.801 . 0 0 "[ . 1 . 2]" 1
80 1 4 HIS H 1 5 TYR QD 3.650 . 5.500 4.474 4.380 4.536 . 0 0 "[ . 1 . 2]" 1
81 1 4 HIS H 1 35 CYS HB3 3.650 . 5.500 3.112 2.973 3.246 . 0 0 "[ . 1 . 2]" 1
82 1 4 HIS H 2 1 MAN H1 3.650 . 5.500 4.635 4.348 5.314 . 0 0 "[ . 1 . 2]" 1
83 1 4 HIS H 2 1 MAN H2 3.650 . 5.500 4.251 3.098 5.297 . 0 0 "[ . 1 . 2]" 1
84 1 4 HIS H 1 20 ALA MB 3.150 . 4.500 4.196 3.930 4.389 . 0 0 "[ . 1 . 2]" 1
85 1 4 HIS H 1 23 THR MG 3.650 . 5.500 3.479 3.075 3.904 . 0 0 "[ . 1 . 2]" 1
86 1 4 HIS HA 1 4 HIS HB2 2.650 . 3.500 2.564 2.506 2.607 . 0 0 "[ . 1 . 2]" 1
87 1 4 HIS HA 1 4 HIS HB3 2.650 . 3.500 3.025 3.007 3.040 . 0 0 "[ . 1 . 2]" 1
88 1 4 HIS HA 1 4 HIS HD2 2.650 . 3.500 2.383 2.259 2.620 . 0 0 "[ . 1 . 2]" 1
89 1 4 HIS HA 1 4 HIS HD2 2.650 . 2.800 2.275 2.153 2.482 . 0 0 "[ . 1 . 2]" 1
90 1 4 HIS HA 1 5 TYR H 2.650 . 2.800 1.932 1.915 1.967 . 0 0 "[ . 1 . 2]" 1
91 1 4 HIS HA 1 35 CYS HB3 2.650 . 3.500 2.312 2.246 2.382 . 0 0 "[ . 1 . 2]" 1
92 1 4 HIS HA 1 5 TYR QE 3.650 . 4.500 4.395 4.337 4.460 . 0 0 "[ . 1 . 2]" 1
93 1 4 HIS HA 1 6 GLY H 3.150 . 4.500 2.863 2.755 2.930 . 0 0 "[ . 1 . 2]" 1
94 1 4 HIS HA 1 19 CYS HB3 3.150 . 4.500 4.334 4.266 4.426 . 0 0 "[ . 1 . 2]" 1
95 1 4 HIS HA 1 23 THR MG 3.150 . 3.500 2.844 2.612 2.998 . 0 0 "[ . 1 . 2]" 1
96 1 4 HIS HA 1 35 CYS HB2 3.150 . 4.500 4.392 4.233 4.507 0.007 9 0 "[ . 1 . 2]" 1
97 1 4 HIS HA 1 35 CYS HB3 2.300 . 2.800 2.639 2.475 2.763 . 0 0 "[ . 1 . 2]" 1
98 1 4 HIS HB2 1 4 HIS HD2 3.150 . 4.500 3.463 3.239 3.751 . 0 0 "[ . 1 . 2]" 1
99 1 4 HIS HB2 1 4 HIS HD2 3.150 . 4.500 3.355 3.171 3.572 . 0 0 "[ . 1 . 2]" 1
100 1 4 HIS HB2 1 5 TYR H 3.650 . 5.500 4.377 4.310 4.430 . 0 0 "[ . 1 . 2]" 1
101 1 4 HIS HB2 1 5 TYR QD 3.150 . 4.500 4.515 4.450 4.560 0.060 4 0 "[ . 1 . 2]" 1
102 1 4 HIS HB2 1 5 TYR QE 3.650 . 5.500 4.235 4.154 4.286 . 0 0 "[ . 1 . 2]" 1
103 1 4 HIS HB2 1 20 ALA H 3.650 . 5.500 5.249 5.016 5.478 . 0 0 "[ . 1 . 2]" 1
104 1 4 HIS HB2 1 20 ALA MB 3.650 . 5.500 3.863 3.626 4.192 . 0 0 "[ . 1 . 2]" 1
105 1 4 HIS HB2 1 20 ALA MB 3.650 . 5.500 4.400 4.015 4.734 . 0 0 "[ . 1 . 2]" 1
106 1 4 HIS HB2 1 23 THR MG 3.150 . 3.500 2.054 1.953 2.208 . 0 0 "[ . 1 . 2]" 1
107 1 4 HIS HB3 1 4 HIS HD2 3.150 . 4.500 3.494 3.311 3.651 . 0 0 "[ . 1 . 2]" 1
108 1 4 HIS HB3 1 4 HIS HE1 3.650 . 5.500 4.794 4.721 4.904 . 0 0 "[ . 1 . 2]" 1
109 1 4 HIS HB3 1 5 TYR H 3.150 . 4.500 3.699 3.647 3.754 . 0 0 "[ . 1 . 2]" 1
110 1 4 HIS HB3 1 5 TYR H 2.650 . 3.500 2.972 2.877 3.064 . 0 0 "[ . 1 . 2]" 1
111 1 4 HIS HB3 1 5 TYR QD 2.650 . 3.500 2.328 2.277 2.388 . 0 0 "[ . 1 . 2]" 1
112 1 4 HIS HB3 1 5 TYR QE 3.650 . 5.500 4.034 3.713 4.209 . 0 0 "[ . 1 . 2]" 1
113 1 4 HIS HB3 1 20 ALA MB 3.650 . 5.500 5.379 5.048 5.541 0.041 13 0 "[ . 1 . 2]" 1
114 1 4 HIS HB3 1 36 LEU MD2 3.650 . 5.500 4.317 4.025 4.552 . 0 0 "[ . 1 . 2]" 1
115 1 4 HIS HB3 1 5 TYR QD 3.150 . 4.500 3.209 2.959 3.605 . 0 0 "[ . 1 . 2]" 1
116 1 4 HIS HB3 1 23 THR MG 3.150 . 4.500 3.557 3.499 3.618 . 0 0 "[ . 1 . 2]" 1
117 1 4 HIS HB3 1 23 THR MG 2.650 . 3.500 3.507 3.450 3.553 0.053 9 0 "[ . 1 . 2]" 1
118 1 4 HIS HD2 1 6 GLY H 3.650 . 4.500 3.768 3.592 3.934 . 0 0 "[ . 1 . 2]" 1
119 1 4 HIS HD2 1 4 HIS HE1 3.650 . 5.500 3.777 3.481 4.031 . 0 0 "[ . 1 . 2]" 1
120 1 4 HIS HD2 1 4 HIS HE1 3.650 . 5.500 4.072 4.010 4.124 . 0 0 "[ . 1 . 2]" 1
121 1 4 HIS HD2 1 5 TYR H 2.650 . 3.500 2.661 2.195 3.174 . 0 0 "[ . 1 . 2]" 1
122 1 4 HIS HD2 1 34 GLN HG2 3.150 . 4.500 3.754 3.545 3.926 . 0 0 "[ . 1 . 2]" 1
123 1 4 HIS HD2 1 34 GLN HG3 3.650 . 5.500 4.350 3.953 4.744 . 0 0 "[ . 1 . 2]" 1
124 1 4 HIS HD2 1 36 LEU MD2 2.650 . 2.800 2.672 2.082 2.821 0.021 3 0 "[ . 1 . 2]" 1
125 1 4 HIS HD2 1 36 LEU HG 3.150 . 4.500 4.397 4.022 4.543 0.043 1 0 "[ . 1 . 2]" 1
126 1 4 HIS HD2 1 23 THR HB 3.650 . 5.500 3.687 3.174 4.707 . 0 0 "[ . 1 . 2]" 1
127 1 4 HIS HD2 1 23 THR MG 3.150 . 3.500 2.827 2.298 3.514 0.014 11 0 "[ . 1 . 2]" 1
128 1 4 HIS HD2 1 36 LEU HG 3.650 . 5.500 4.257 3.965 4.388 . 0 0 "[ . 1 . 2]" 1
129 1 4 HIS HD2 1 35 CYS HB3 3.650 . 5.500 4.022 3.596 4.366 . 0 0 "[ . 1 . 2]" 1
130 1 4 HIS HD2 1 36 LEU HA 2.650 . 3.500 2.031 1.913 2.227 . 0 0 "[ . 1 . 2]" 1
131 1 4 HIS HD2 1 36 LEU MD2 3.150 . 4.500 2.994 2.131 3.333 . 0 0 "[ . 1 . 2]" 1
132 1 4 HIS HE1 1 5 TYR QE 3.650 . 4.500 2.935 2.488 3.750 . 0 0 "[ . 1 . 2]" 1
133 1 4 HIS HE1 1 23 THR MG 3.650 . 5.500 4.303 3.769 4.711 . 0 0 "[ . 1 . 2]" 1
134 1 5 TYR H 1 5 TYR HB2 3.650 . 5.500 3.631 3.558 3.700 . 0 0 "[ . 1 . 2]" 1
135 1 5 TYR H 1 5 TYR QD 3.150 . 4.500 3.605 3.199 3.845 . 0 0 "[ . 1 . 2]" 1
136 1 5 TYR H 1 6 GLY H 3.150 . 4.500 2.505 2.352 2.642 . 0 0 "[ . 1 . 2]" 1
137 1 5 TYR H 1 6 GLY H 2.650 . 3.500 2.362 2.234 2.442 . 0 0 "[ . 1 . 2]" 1
138 1 5 TYR H 1 23 THR MG 3.650 . 5.500 4.463 4.186 4.646 . 0 0 "[ . 1 . 2]" 1
139 1 5 TYR H 1 23 THR MG 3.150 . 4.500 3.506 3.339 3.613 . 0 0 "[ . 1 . 2]" 1
140 1 5 TYR H 1 36 LEU HA 2.650 . 3.500 2.800 2.773 2.832 . 0 0 "[ . 1 . 2]" 1
141 1 5 TYR H 1 26 GLN H 3.650 . 5.500 5.296 5.065 5.471 . 0 0 "[ . 1 . 2]" 1
142 1 5 TYR H 1 34 GLN HG2 3.650 . 5.500 3.271 3.103 3.521 . 0 0 "[ . 1 . 2]" 1
143 1 5 TYR H 1 35 CYS H 3.650 . 5.500 3.472 3.316 3.602 . 0 0 "[ . 1 . 2]" 1
144 1 5 TYR H 1 35 CYS HB2 3.150 . 4.500 4.544 4.511 4.572 0.072 7 0 "[ . 1 . 2]" 1
145 1 5 TYR H 1 35 CYS HB3 3.150 . 4.500 3.047 2.942 3.145 . 0 0 "[ . 1 . 2]" 1
146 1 5 TYR H 1 36 LEU MD2 3.150 . 4.500 3.128 2.738 3.607 . 0 0 "[ . 1 . 2]" 1
147 1 5 TYR HA 1 5 TYR HB2 2.650 . 3.500 3.019 3.006 3.031 . 0 0 "[ . 1 . 2]" 1
148 1 5 TYR HA 1 5 TYR HB3 2.650 . 2.800 2.561 2.478 2.613 . 0 0 "[ . 1 . 2]" 1
149 1 5 TYR HA 1 5 TYR QD 2.650 . 3.500 2.897 2.711 3.094 . 0 0 "[ . 1 . 2]" 1
150 1 5 TYR HA 1 5 TYR QE 3.150 . 4.500 4.382 4.272 4.504 0.004 18 0 "[ . 1 . 2]" 1
151 1 5 TYR HA 1 34 GLN HB3 2.650 . 3.500 2.998 2.988 3.008 . 0 0 "[ . 1 . 2]" 1
152 1 5 TYR HA 1 34 GLN HB2 3.650 . 5.500 4.448 4.233 4.653 . 0 0 "[ . 1 . 2]" 1
153 1 5 TYR HA 1 34 GLN HE21 3.150 . 4.500 2.899 2.510 3.604 . 0 0 "[ . 1 . 2]" 1
154 1 5 TYR HA 1 34 GLN HE22 3.150 . 4.500 3.601 3.356 3.976 . 0 0 "[ . 1 . 2]" 1
155 1 5 TYR HA 1 34 GLN HG2 2.650 . 3.500 2.321 2.151 2.713 . 0 0 "[ . 1 . 2]" 1
156 1 5 TYR HA 1 34 GLN HG3 3.150 . 3.500 2.516 2.019 2.983 . 0 0 "[ . 1 . 2]" 1
157 1 5 TYR HA 1 36 LEU MD2 2.650 . 3.500 2.948 2.607 3.265 . 0 0 "[ . 1 . 2]" 1
158 1 5 TYR HB2 1 5 TYR QD 2.650 . 2.800 2.399 2.323 2.505 . 0 0 "[ . 1 . 2]" 1
159 1 5 TYR HB2 1 5 TYR QE 3.150 . 4.500 4.410 4.374 4.462 . 0 0 "[ . 1 . 2]" 1
160 1 5 TYR HB2 1 5 TYR QE 3.150 . 4.500 4.075 3.942 4.257 . 0 0 "[ . 1 . 2]" 1
161 1 5 TYR HB2 1 6 GLY H 3.650 . 5.500 3.876 3.677 4.066 . 0 0 "[ . 1 . 2]" 1
162 1 5 TYR HB2 1 6 GLY HA2 3.650 . 5.500 4.615 4.472 4.730 . 0 0 "[ . 1 . 2]" 1
163 1 5 TYR HB2 1 34 GLN HE21 3.650 . 5.500 4.854 4.104 5.522 0.022 2 0 "[ . 1 . 2]" 1
164 1 5 TYR HB2 1 34 GLN HE22 3.650 . 5.500 5.225 4.783 5.540 0.040 9 0 "[ . 1 . 2]" 1
165 1 5 TYR HB3 1 5 TYR QD 2.650 . 2.800 2.397 2.310 2.484 . 0 0 "[ . 1 . 2]" 1
166 1 5 TYR HB3 1 5 TYR QE 3.650 . 4.500 4.407 4.381 4.442 . 0 0 "[ . 1 . 2]" 1
167 1 5 TYR HB3 1 6 GLY H 3.150 . 4.500 4.309 4.207 4.390 . 0 0 "[ . 1 . 2]" 1
168 1 5 TYR HB3 1 6 GLY H 3.150 . 4.500 3.598 3.534 3.630 . 0 0 "[ . 1 . 2]" 1
169 1 5 TYR HB3 1 36 LEU HG 3.650 . 5.500 5.205 5.014 5.298 . 0 0 "[ . 1 . 2]" 1
170 1 5 TYR HB3 1 34 GLN HE21 3.150 . 4.500 3.475 2.629 4.510 0.010 17 0 "[ . 1 . 2]" 1
171 1 5 TYR HB3 1 34 GLN HE22 3.150 . 4.500 3.617 3.071 4.102 . 0 0 "[ . 1 . 2]" 1
172 1 5 TYR HB3 1 34 GLN HG2 3.650 . 5.500 4.338 4.070 4.641 . 0 0 "[ . 1 . 2]" 1
173 1 5 TYR HB3 1 36 LEU MD2 3.650 . 5.500 4.347 4.037 4.566 . 0 0 "[ . 1 . 2]" 1
174 1 5 TYR HB3 1 36 LEU MD2 3.650 . 5.500 4.480 4.115 4.730 . 0 0 "[ . 1 . 2]" 1
175 1 5 TYR QD 1 34 GLN HB2 3.650 . 5.500 5.094 4.916 5.308 . 0 0 "[ . 1 . 2]" 1
176 1 5 TYR QD 1 34 GLN HG2 3.650 . 5.500 4.191 3.817 4.608 . 0 0 "[ . 1 . 2]" 1
177 1 5 TYR QD 1 34 GLN HG3 3.650 . 5.500 4.461 4.019 4.870 . 0 0 "[ . 1 . 2]" 1
178 1 5 TYR QD 1 36 LEU MD1 3.650 . 5.500 4.981 4.599 5.412 . 0 0 "[ . 1 . 2]" 1
179 1 5 TYR QD 1 36 LEU MD2 2.650 . 3.500 3.090 2.764 3.404 . 0 0 "[ . 1 . 2]" 1
180 1 5 TYR QE 1 36 LEU HA 3.650 . 5.500 4.301 3.952 4.583 . 0 0 "[ . 1 . 2]" 1
181 1 5 TYR QE 1 36 LEU MD1 3.650 . 5.500 4.047 3.914 4.204 . 0 0 "[ . 1 . 2]" 1
182 1 5 TYR QE 1 36 LEU MD2 3.150 . 3.500 2.987 2.671 3.284 . 0 0 "[ . 1 . 2]" 1
183 1 6 GLY H 1 6 GLY HA2 2.650 . 3.500 2.919 2.883 2.935 . 0 0 "[ . 1 . 2]" 1
184 1 6 GLY H 1 6 GLY HA3 2.650 . 2.800 2.340 2.290 2.372 . 0 0 "[ . 1 . 2]" 1
185 1 6 GLY H 1 7 GLN H 3.650 . 5.500 4.495 4.432 4.540 . 0 0 "[ . 1 . 2]" 1
186 1 6 GLY H 1 23 THR MG 3.650 . 5.500 4.539 4.390 4.751 . 0 0 "[ . 1 . 2]" 1
187 1 6 GLY H 1 34 GLN HG2 3.650 . 5.500 4.016 3.635 4.469 . 0 0 "[ . 1 . 2]" 1
188 1 6 GLY H 1 35 CYS H 3.150 . 4.500 3.276 3.072 3.415 . 0 0 "[ . 1 . 2]" 1
189 1 6 GLY H 1 35 CYS HB2 3.150 . 4.500 3.856 3.736 3.930 . 0 0 "[ . 1 . 2]" 1
190 1 6 GLY H 1 35 CYS HB3 2.650 . 3.500 3.174 3.011 3.310 . 0 0 "[ . 1 . 2]" 1
191 1 6 GLY H 2 1 MAN H2 3.650 . 5.500 4.116 3.225 5.449 . 0 0 "[ . 1 . 2]" 1
192 1 6 GLY HA2 1 7 GLN H . . 2.800 2.279 2.204 2.358 . 0 0 "[ . 1 . 2]" 1
193 1 6 GLY HA2 1 34 GLN HG3 3.650 . 5.500 3.544 3.209 3.922 . 0 0 "[ . 1 . 2]" 1
194 1 6 GLY HA2 2 1 MAN H2 3.650 . 5.500 3.287 2.324 5.024 . 0 0 "[ . 1 . 2]" 1
195 1 6 GLY HA3 1 7 GLN H 2.650 . 3.500 2.773 2.650 2.907 . 0 0 "[ . 1 . 2]" 1
196 1 6 GLY HA3 1 7 GLN HB3 3.650 . 5.500 5.088 5.003 5.176 . 0 0 "[ . 1 . 2]" 1
197 1 6 GLY HA3 1 35 CYS H 3.650 . 5.500 4.158 4.058 4.283 . 0 0 "[ . 1 . 2]" 1
198 1 6 GLY HA3 1 34 GLN HB2 3.650 . 5.500 5.180 4.971 5.429 . 0 0 "[ . 1 . 2]" 1
199 1 6 GLY HA3 1 35 CYS HB2 3.150 . 4.500 4.216 4.143 4.275 . 0 0 "[ . 1 . 2]" 1
200 1 7 GLN H 1 7 GLN HB2 2.650 . 3.500 2.573 2.448 2.735 . 0 0 "[ . 1 . 2]" 1
201 1 7 GLN H 1 7 GLN HB2 2.300 . 2.800 2.391 2.316 2.490 . 0 0 "[ . 1 . 2]" 1
202 1 7 GLN H 1 7 GLN HB3 2.650 . 3.500 2.517 2.468 2.591 . 0 0 "[ . 1 . 2]" 1
203 1 7 GLN H 1 8 CYS H 3.650 . 5.500 4.474 4.404 4.568 . 0 0 "[ . 1 . 2]" 1
204 1 7 GLN H 1 8 CYS H 3.650 . 5.500 3.476 3.393 3.628 . 0 0 "[ . 1 . 2]" 1
205 1 7 GLN H 1 32 TYR QE 3.650 . 5.500 3.849 3.524 4.219 . 0 0 "[ . 1 . 2]" 1
206 1 7 GLN H 1 32 TYR QE 3.650 . 5.500 4.182 3.699 4.580 . 0 0 "[ . 1 . 2]" 1
207 1 7 GLN H 1 34 GLN HB2 3.650 . 5.500 4.037 3.890 4.150 . 0 0 "[ . 1 . 2]" 1
208 1 7 GLN H 2 1 MAN H2 3.650 . 5.500 3.470 2.346 4.988 . 0 0 "[ . 1 . 2]" 1
209 1 7 GLN HA 1 8 CYS HB3 3.150 . 4.500 3.239 3.109 3.324 . 0 0 "[ . 1 . 2]" 1
210 1 7 GLN HA 1 8 CYS HB3 3.150 . 4.500 3.287 3.146 3.377 . 0 0 "[ . 1 . 2]" 1
211 1 7 GLN HA 1 9 GLY H 3.150 . 4.500 3.243 3.128 3.417 . 0 0 "[ . 1 . 2]" 1
212 1 7 GLN HA 1 7 GLN HB2 2.650 . 2.800 2.496 2.457 2.543 . 0 0 "[ . 1 . 2]" 1
213 1 7 GLN HA 1 7 GLN HE21 3.150 . 4.500 3.981 3.681 4.280 . 0 0 "[ . 1 . 2]" 1
214 1 7 GLN HA 1 7 GLN HG2 3.150 . 4.500 3.154 3.059 3.258 . 0 0 "[ . 1 . 2]" 1
215 1 7 GLN HA 1 7 GLN HG3 2.650 . 3.500 2.595 2.536 2.656 . 0 0 "[ . 1 . 2]" 1
216 1 7 GLN HA 1 8 CYS H . . 2.800 2.133 2.066 2.215 . 0 0 "[ . 1 . 2]" 1
217 1 7 GLN HA 1 9 GLY H 3.650 . 5.500 3.667 3.535 3.839 . 0 0 "[ . 1 . 2]" 1
218 1 7 GLN HA 1 33 SER H 3.150 . 4.500 3.454 3.351 3.626 . 0 0 "[ . 1 . 2]" 1
219 1 7 GLN HA 1 32 TYR QD 3.650 . 5.500 4.678 4.424 4.972 . 0 0 "[ . 1 . 2]" 1
220 1 7 GLN HA 1 32 TYR QE 3.150 . 4.500 3.957 3.481 4.326 . 0 0 "[ . 1 . 2]" 1
221 1 7 GLN HA 1 34 GLN HA . . 3.500 2.439 2.243 2.689 . 0 0 "[ . 1 . 2]" 1
222 1 7 GLN HA 1 34 GLN HB2 3.150 . 4.500 4.058 3.810 4.442 . 0 0 "[ . 1 . 2]" 1
223 1 7 GLN HB2 1 7 GLN HE21 3.650 . 5.500 4.092 4.051 4.153 . 0 0 "[ . 1 . 2]" 1
224 1 7 GLN HB2 1 7 GLN HE22 3.650 . 5.500 4.400 4.341 4.452 . 0 0 "[ . 1 . 2]" 1
225 1 7 GLN HB2 1 7 GLN HG2 2.650 . 3.500 2.915 2.890 2.946 . 0 0 "[ . 1 . 2]" 1
226 1 7 GLN HB2 1 7 GLN HG3 2.300 . 2.800 2.205 2.161 2.248 . 0 0 "[ . 1 . 2]" 1
227 1 7 GLN HB2 1 8 CYS H 3.650 . 5.500 4.242 4.119 4.388 . 0 0 "[ . 1 . 2]" 1
228 1 7 GLN HB2 1 9 GLY H 4.150 . 6.500 5.312 4.955 5.609 . 0 0 "[ . 1 . 2]" 1
229 1 7 GLN HB2 1 9 GLY H 3.650 . 5.500 4.243 4.132 4.363 . 0 0 "[ . 1 . 2]" 1
230 1 7 GLN HB2 1 32 TYR HA 3.150 . 4.500 4.503 4.421 4.548 0.048 14 0 "[ . 1 . 2]" 1
231 1 7 GLN HB2 1 32 TYR QD 3.650 . 4.500 3.538 3.358 3.900 . 0 0 "[ . 1 . 2]" 1
232 1 7 GLN HB2 1 32 TYR QE 2.650 . 3.500 2.648 2.341 2.940 . 0 0 "[ . 1 . 2]" 1
233 1 7 GLN HB2 1 33 SER H 3.150 . 4.500 3.622 3.341 3.772 . 0 0 "[ . 1 . 2]" 1
234 1 7 GLN HB3 1 7 GLN HE21 3.650 . 5.500 4.519 4.474 4.565 . 0 0 "[ . 1 . 2]" 1
235 1 7 GLN HB3 1 7 GLN HE22 3.650 . 5.500 4.665 4.596 4.754 . 0 0 "[ . 1 . 2]" 1
236 1 7 GLN HB3 1 8 CYS H 3.650 . 5.500 4.128 4.017 4.212 . 0 0 "[ . 1 . 2]" 1
237 1 7 GLN HB3 1 9 GLY H 3.650 . 5.500 4.927 4.381 5.468 . 0 0 "[ . 1 . 2]" 1
238 1 7 GLN HB3 1 9 GLY H 3.650 . 5.500 4.506 4.157 4.825 . 0 0 "[ . 1 . 2]" 1
239 1 7 GLN HB3 1 13 TYR QE 3.150 . 3.500 3.475 3.356 3.519 0.019 5 0 "[ . 1 . 2]" 1
240 1 7 GLN HB3 1 15 GLY HA3 4.150 . 6.500 6.383 5.769 6.539 0.039 1 0 "[ . 1 . 2]" 1
241 1 7 GLN HB3 1 32 TYR QE 3.150 . 4.500 4.321 3.975 4.530 0.030 20 0 "[ . 1 . 2]" 1
242 1 7 GLN HB3 1 33 SER H 3.650 . 5.500 5.257 5.158 5.376 . 0 0 "[ . 1 . 2]" 1
243 1 7 GLN HE21 1 13 TYR QE 3.650 . 5.500 4.518 4.356 4.654 . 0 0 "[ . 1 . 2]" 1
244 1 7 GLN HE21 1 7 GLN HG2 2.650 . 3.500 3.003 2.963 3.054 . 0 0 "[ . 1 . 2]" 1
245 1 7 GLN HE21 1 7 GLN HG3 2.650 . 3.500 2.332 2.297 2.367 . 0 0 "[ . 1 . 2]" 1
246 1 7 GLN HE21 1 9 GLY H 3.650 . 5.500 4.677 4.392 4.874 . 0 0 "[ . 1 . 2]" 1
247 1 7 GLN HE21 1 10 GLY H 3.650 . 5.500 3.429 3.145 3.720 . 0 0 "[ . 1 . 2]" 1
248 1 7 GLN HE21 1 10 GLY HA3 3.650 . 5.500 2.526 2.063 2.965 . 0 0 "[ . 1 . 2]" 1
249 1 7 GLN HE21 1 13 TYR HB2 3.150 . 4.500 3.341 3.057 3.951 . 0 0 "[ . 1 . 2]" 1
250 1 7 GLN HE21 1 13 TYR HB3 3.150 . 4.500 4.161 3.930 4.376 . 0 0 "[ . 1 . 2]" 1
251 1 7 GLN HE21 1 32 TYR HA 3.150 . 4.500 2.275 2.030 2.522 . 0 0 "[ . 1 . 2]" 1
252 1 7 GLN HE21 1 32 TYR QD 3.150 . 4.500 3.398 3.071 3.720 . 0 0 "[ . 1 . 2]" 1
253 1 7 GLN HE21 1 33 SER H 3.150 . 4.500 2.809 2.566 2.924 . 0 0 "[ . 1 . 2]" 1
254 1 7 GLN HE22 1 7 GLN HG3 3.150 . 4.500 2.801 2.741 3.090 . 0 0 "[ . 1 . 2]" 1
255 1 7 GLN HE22 1 7 GLN HG3 3.150 . 4.500 2.773 2.713 3.055 . 0 0 "[ . 1 . 2]" 1
256 1 7 GLN HE22 1 7 GLN HG3 3.150 . 4.500 3.385 3.279 3.464 . 0 0 "[ . 1 . 2]" 1
257 1 7 GLN HE22 1 10 GLY H 3.650 . 5.500 4.058 3.847 4.287 . 0 0 "[ . 1 . 2]" 1
258 1 7 GLN HE22 1 10 GLY HA2 3.650 . 5.500 4.883 4.052 5.515 0.015 4 0 "[ . 1 . 2]" 1
259 1 7 GLN HE22 1 10 GLY HA2 3.650 . 5.500 5.055 4.804 5.397 . 0 0 "[ . 1 . 2]" 1
260 1 7 GLN HE22 1 10 GLY HA3 3.650 . 5.500 3.771 3.362 4.264 . 0 0 "[ . 1 . 2]" 1
261 1 7 GLN HE22 1 13 TYR H 3.650 . 5.500 4.514 3.884 5.226 . 0 0 "[ . 1 . 2]" 1
262 1 7 GLN HE22 1 13 TYR HB2 2.650 . 3.500 3.012 2.851 3.484 . 0 0 "[ . 1 . 2]" 1
263 1 7 GLN HE22 1 13 TYR HB3 3.150 . 4.500 4.391 4.126 4.521 0.021 7 0 "[ . 1 . 2]" 1
264 1 7 GLN HE22 1 32 TYR HA 3.150 . 4.500 3.477 3.034 3.765 . 0 0 "[ . 1 . 2]" 1
265 1 7 GLN HE22 1 33 SER H 3.150 . 4.500 4.449 4.146 4.586 0.086 16 0 "[ . 1 . 2]" 1
266 1 7 GLN HG2 1 8 CYS H 3.150 . 4.500 3.147 2.843 3.400 . 0 0 "[ . 1 . 2]" 1
267 1 7 GLN HG2 1 9 GLY H 2.650 . 3.500 2.935 2.344 3.504 0.004 3 0 "[ . 1 . 2]" 1
268 1 7 GLN HG2 1 13 TYR HB2 3.650 . 5.500 3.369 2.547 4.553 . 0 0 "[ . 1 . 2]" 1
269 1 7 GLN HG2 1 13 TYR QD 3.650 . 5.500 3.290 2.875 3.458 . 0 0 "[ . 1 . 2]" 1
270 1 7 GLN HG2 1 13 TYR QE 3.650 . 5.500 3.830 2.967 4.550 . 0 0 "[ . 1 . 2]" 1
271 1 7 GLN HG2 1 33 SER H 3.150 . 4.500 3.616 3.359 3.849 . 0 0 "[ . 1 . 2]" 1
272 1 7 GLN HG3 1 8 CYS H 2.650 . 3.500 3.212 2.919 3.503 0.003 16 0 "[ . 1 . 2]" 1
273 1 7 GLN HG3 1 9 GLY H 2.650 . 3.500 3.463 3.244 3.532 0.032 14 0 "[ . 1 . 2]" 1
274 1 7 GLN HG3 1 9 GLY H 2.650 . 3.500 2.239 2.156 2.333 . 0 0 "[ . 1 . 2]" 1
275 1 7 GLN HG3 1 10 GLY H 2.650 . 3.500 2.311 2.273 2.397 . 0 0 "[ . 1 . 2]" 1
276 1 7 GLN HG3 1 13 TYR HB2 3.150 . 4.500 3.574 3.363 3.866 . 0 0 "[ . 1 . 2]" 1
277 1 7 GLN HG3 1 34 GLN H 3.650 . 4.500 3.777 3.575 3.989 . 0 0 "[ . 1 . 2]" 1
278 1 7 GLN HG3 1 34 GLN HB2 3.150 . 4.500 4.052 3.804 4.508 0.008 1 0 "[ . 1 . 2]" 1
279 1 7 GLN HG3 1 32 TYR HA 3.650 . 5.500 3.072 2.840 3.326 . 0 0 "[ . 1 . 2]" 1
280 1 7 GLN HG3 1 32 TYR QD 3.650 . 4.500 3.457 3.143 3.832 . 0 0 "[ . 1 . 2]" 1
281 1 7 GLN HG3 1 32 TYR QE 3.650 . 4.500 4.005 3.683 4.311 . 0 0 "[ . 1 . 2]" 1
282 1 7 GLN HG3 1 33 SER H 3.150 . 4.500 2.268 2.181 2.368 . 0 0 "[ . 1 . 2]" 1
283 1 8 CYS H 1 8 CYS HB2 3.650 . 5.500 3.664 3.593 3.726 . 0 0 "[ . 1 . 2]" 1
284 1 8 CYS H 1 8 CYS HB3 2.650 . 3.500 2.737 2.644 2.852 . 0 0 "[ . 1 . 2]" 1
285 1 8 CYS H 1 9 GLY H 2.650 . 3.500 2.233 2.083 2.361 . 0 0 "[ . 1 . 2]" 1
286 1 8 CYS H 1 9 GLY HA3 3.650 . 5.500 4.710 4.595 4.841 . 0 0 "[ . 1 . 2]" 1
287 1 8 CYS H 1 9 GLY HA3 3.650 . 5.500 3.902 3.575 4.049 . 0 0 "[ . 1 . 2]" 1
288 1 8 CYS H 1 13 TYR HB3 4.150 . 6.500 5.562 5.220 5.837 . 0 0 "[ . 1 . 2]" 1
289 1 8 CYS H 1 35 CYS H 3.150 . 4.500 3.624 3.526 3.810 . 0 0 "[ . 1 . 2]" 1
290 1 8 CYS H 1 35 CYS HB2 3.650 . 4.500 4.209 4.080 4.342 . 0 0 "[ . 1 . 2]" 1
291 1 8 CYS H 1 25 CYS HB2 4.150 . 6.500 5.623 5.498 5.789 . 0 0 "[ . 1 . 2]" 1
292 1 8 CYS H 1 34 GLN HA 2.650 . 3.500 2.952 2.775 3.344 . 0 0 "[ . 1 . 2]" 1
293 1 8 CYS HA 1 8 CYS HB2 2.650 . 2.800 2.468 2.432 2.518 . 0 0 "[ . 1 . 2]" 1
294 1 8 CYS HA 1 8 CYS HB3 2.300 . 2.800 2.348 2.327 2.367 . 0 0 "[ . 1 . 2]" 1
295 1 8 CYS HA 1 8 CYS HB3 2.300 . 2.800 2.275 2.258 2.291 . 0 0 "[ . 1 . 2]" 1
296 1 8 CYS HA 1 9 GLY H 3.150 . 4.500 3.454 3.261 3.590 . 0 0 "[ . 1 . 2]" 1
297 1 8 CYS HA 1 13 TYR QD 3.150 . 4.500 3.094 2.916 3.204 . 0 0 "[ . 1 . 2]" 1
298 1 8 CYS HA 1 13 TYR QE 2.650 . 3.500 2.906 2.590 3.318 . 0 0 "[ . 1 . 2]" 1
299 1 8 CYS HA 1 17 THR MG 3.650 . 5.500 3.760 3.515 4.090 . 0 0 "[ . 1 . 2]" 1
300 1 8 CYS HA 1 17 THR HA 3.150 . 3.500 3.265 2.775 3.536 0.036 2 0 "[ . 1 . 2]" 1
301 1 8 CYS HB2 1 17 THR HA 3.150 . 3.500 3.473 3.289 3.525 0.025 12 0 "[ . 1 . 2]" 1
302 1 8 CYS HB2 1 17 THR HB 3.650 . 5.500 4.862 4.591 5.141 . 0 0 "[ . 1 . 2]" 1
303 1 8 CYS HB3 1 26 GLN H 3.150 . 4.500 3.801 3.732 3.885 . 0 0 "[ . 1 . 2]" 1
304 1 8 CYS HB3 1 13 TYR QE 3.650 . 5.500 4.190 4.126 4.265 . 0 0 "[ . 1 . 2]" 1
305 1 8 CYS HB3 1 13 TYR QE 3.150 . 4.500 3.833 3.786 3.867 . 0 0 "[ . 1 . 2]" 1
306 1 8 CYS HB3 1 35 CYS H 3.650 . 5.500 3.243 3.093 3.433 . 0 0 "[ . 1 . 2]" 1
307 1 8 CYS HB3 1 17 THR MG 3.650 . 5.500 4.729 4.562 5.002 . 0 0 "[ . 1 . 2]" 1
308 1 8 CYS HB3 1 16 PRO HB2 3.650 . 5.500 5.200 4.904 5.380 . 0 0 "[ . 1 . 2]" 1
309 1 8 CYS HB3 1 17 THR HA 3.150 . 4.500 3.970 3.838 4.200 . 0 0 "[ . 1 . 2]" 1
310 1 8 CYS HB3 1 34 GLN HB3 3.650 . 5.500 4.569 4.499 4.676 . 0 0 "[ . 1 . 2]" 1
311 1 8 CYS HB3 1 34 GLN HB3 3.650 . 5.500 4.661 4.584 4.784 . 0 0 "[ . 1 . 2]" 1
312 1 8 CYS HB3 1 34 GLN HA 3.650 . 5.500 3.981 3.879 4.218 . 0 0 "[ . 1 . 2]" 1
313 1 8 CYS HB3 1 35 CYS H 3.150 . 4.500 3.351 3.166 3.594 . 0 0 "[ . 1 . 2]" 1
314 1 9 GLY H 1 10 GLY H 3.650 . 5.500 2.745 2.342 3.061 . 0 0 "[ . 1 . 2]" 1
315 1 9 GLY H 1 10 GLY H 3.150 . 4.500 2.693 2.318 2.949 . 0 0 "[ . 1 . 2]" 1
316 1 9 GLY H 1 13 TYR H 3.650 . 5.500 4.201 4.139 4.230 . 0 0 "[ . 1 . 2]" 1
317 1 9 GLY H 1 13 TYR QD 3.150 . 4.500 3.603 2.705 4.361 . 0 0 "[ . 1 . 2]" 1
318 1 9 GLY H 1 17 THR HB 3.650 . 5.500 5.072 4.865 5.229 . 0 0 "[ . 1 . 2]" 1
319 1 9 GLY H 1 17 THR MG 3.650 . 5.500 4.331 3.771 4.812 . 0 0 "[ . 1 . 2]" 1
320 1 9 GLY H 1 33 SER HB3 3.150 . 4.500 3.262 3.103 3.488 . 0 0 "[ . 1 . 2]" 1
321 1 9 GLY H 1 34 GLN H 3.650 . 5.500 4.138 4.070 4.242 . 0 0 "[ . 1 . 2]" 1
322 1 9 GLY H 1 33 SER HB2 2.650 . 3.500 2.140 1.863 2.610 . 0 0 "[ . 1 . 2]" 1
323 1 9 GLY H 1 33 SER HB3 3.650 . 5.500 3.615 3.295 4.087 . 0 0 "[ . 1 . 2]" 1
324 1 9 GLY HA2 1 10 GLY H 3.150 . 3.500 2.455 2.345 2.548 . 0 0 "[ . 1 . 2]" 1
325 1 9 GLY HA2 1 13 TYR H 3.150 . 4.500 4.293 4.214 4.434 . 0 0 "[ . 1 . 2]" 1
326 1 9 GLY HA2 1 13 TYR HB2 3.150 . 4.500 3.906 3.792 4.038 . 0 0 "[ . 1 . 2]" 1
327 1 9 GLY HA2 1 13 TYR HB3 3.150 . 4.500 3.298 2.985 3.707 . 0 0 "[ . 1 . 2]" 1
328 1 9 GLY HA2 1 13 TYR QD 3.150 . 3.500 2.265 1.994 2.877 . 0 0 "[ . 1 . 2]" 1
329 1 9 GLY HA2 1 13 TYR QE 3.650 . 5.500 3.856 3.325 4.605 . 0 0 "[ . 1 . 2]" 1
330 1 9 GLY HA2 1 17 THR MG . . 3.500 2.326 2.078 2.667 . 0 0 "[ . 1 . 2]" 1
331 1 9 GLY HA2 1 27 VAL MG2 3.150 . 4.500 4.509 4.290 4.563 0.063 12 0 "[ . 1 . 2]" 1
332 1 9 GLY HA2 1 33 SER H 4.150 . 6.500 5.475 5.335 5.623 . 0 0 "[ . 1 . 2]" 1
333 1 9 GLY HA2 1 33 SER HB3 3.650 . 5.500 5.480 5.377 5.540 0.040 11 0 "[ . 1 . 2]" 1
334 1 9 GLY HA3 1 10 GLY H 2.650 . 3.500 3.502 3.486 3.516 0.016 19 0 "[ . 1 . 2]" 1
335 1 9 GLY HA3 1 10 GLY H 2.300 . 2.800 2.368 2.317 2.386 . 0 0 "[ . 1 . 2]" 1
336 1 9 GLY HA3 1 13 TYR QD 3.150 . 4.500 3.889 3.598 4.503 0.003 3 0 "[ . 1 . 2]" 1
337 1 9 GLY HA3 1 13 TYR QD 3.150 . 4.500 3.852 3.575 4.411 . 0 0 "[ . 1 . 2]" 1
338 1 9 GLY HA3 1 13 TYR QE 3.650 . 5.500 4.400 4.189 4.680 . 0 0 "[ . 1 . 2]" 1
339 1 9 GLY HA3 1 17 THR MG 3.150 . 4.500 2.941 2.503 3.516 . 0 0 "[ . 1 . 2]" 1
340 1 9 GLY HA3 1 33 SER HB2 2.650 . 3.500 3.512 3.501 3.523 0.023 5 0 "[ . 1 . 2]" 1
341 1 9 GLY HA3 1 33 SER HB3 3.150 . 4.500 4.373 4.281 4.501 0.001 5 0 "[ . 1 . 2]" 1
342 1 10 GLY H 1 10 GLY HA2 2.650 . 3.500 2.936 2.917 2.949 . 0 0 "[ . 1 . 2]" 1
343 1 10 GLY H 1 10 GLY HA3 2.650 . 3.500 2.407 2.351 2.427 . 0 0 "[ . 1 . 2]" 1
344 1 10 GLY H 1 11 ILE H 3.150 . 4.500 3.978 3.909 4.070 . 0 0 "[ . 1 . 2]" 1
345 1 10 GLY H 1 13 TYR HB3 3.150 . 4.500 2.136 1.872 2.396 . 0 0 "[ . 1 . 2]" 1
346 1 10 GLY H 1 13 TYR QD 3.650 . 5.500 2.783 1.870 3.350 . 0 0 "[ . 1 . 2]" 1
347 1 10 GLY H 1 33 SER HB3 3.150 . 4.500 3.502 3.316 3.679 . 0 0 "[ . 1 . 2]" 1
348 1 10 GLY H 1 33 SER HB3 3.150 . 4.500 3.797 3.649 3.974 . 0 0 "[ . 1 . 2]" 1
349 1 10 GLY H 1 33 SER H 3.650 . 5.500 3.967 3.691 4.370 . 0 0 "[ . 1 . 2]" 1
350 1 10 GLY H 1 33 SER HB2 3.150 . 4.500 3.520 3.292 3.929 . 0 0 "[ . 1 . 2]" 1
351 1 10 GLY HA2 1 11 ILE H 3.150 . 3.500 2.389 2.314 2.478 . 0 0 "[ . 1 . 2]" 1
352 1 10 GLY HA2 1 27 VAL MG2 3.150 . 4.500 3.379 3.128 3.567 . 0 0 "[ . 1 . 2]" 1
353 1 10 GLY HA2 1 13 TYR H 3.150 . 4.500 4.457 4.306 4.537 0.037 12 0 "[ . 1 . 2]" 1
354 1 10 GLY HA2 1 13 TYR HB3 3.650 . 5.500 4.519 4.098 4.881 . 0 0 "[ . 1 . 2]" 1
355 1 10 GLY HA3 1 11 ILE H 2.650 . 3.500 2.777 2.704 2.901 . 0 0 "[ . 1 . 2]" 1
356 1 10 GLY HA3 1 11 ILE H 2.650 . 2.800 2.487 2.459 2.548 . 0 0 "[ . 1 . 2]" 1
357 1 10 GLY HA3 1 32 TYR H 3.650 . 5.500 3.302 3.180 3.380 . 0 0 "[ . 1 . 2]" 1
358 1 10 GLY HA3 1 31 TYR QD 3.650 . 5.500 4.448 4.086 4.776 . 0 0 "[ . 1 . 2]" 1
359 1 10 GLY HA3 1 11 ILE HG13 3.650 . 5.500 4.733 4.612 4.854 . 0 0 "[ . 1 . 2]" 1
360 1 10 GLY HA3 1 11 ILE MG 3.650 . 5.500 4.993 4.563 5.378 . 0 0 "[ . 1 . 2]" 1
361 1 10 GLY HA3 1 13 TYR H 3.650 . 5.500 3.891 3.790 4.042 . 0 0 "[ . 1 . 2]" 1
362 1 10 GLY HA3 1 13 TYR HB2 3.650 . 5.500 3.356 3.201 3.534 . 0 0 "[ . 1 . 2]" 1
363 1 10 GLY HA3 1 31 TYR H 3.650 . 5.500 5.247 4.941 5.502 0.002 12 0 "[ . 1 . 2]" 1
364 1 10 GLY HA3 1 33 SER H 3.150 . 4.500 3.118 2.772 3.595 . 0 0 "[ . 1 . 2]" 1
365 1 11 ILE H 1 11 ILE HA 2.650 . 3.500 2.809 2.793 2.827 . 0 0 "[ . 1 . 2]" 1
366 1 11 ILE H 1 11 ILE HB 2.650 . 3.500 2.583 2.461 2.663 . 0 0 "[ . 1 . 2]" 1
367 1 11 ILE H 1 11 ILE MD 3.150 . 4.500 3.568 3.497 3.631 . 0 0 "[ . 1 . 2]" 1
368 1 11 ILE H 1 11 ILE HG12 3.150 . 4.500 3.306 3.208 3.448 . 0 0 "[ . 1 . 2]" 1
369 1 11 ILE H 1 11 ILE HG13 2.650 . 3.500 2.054 1.987 2.185 . 0 0 "[ . 1 . 2]" 1
370 1 11 ILE H 1 11 ILE MG 3.150 . 4.500 3.777 3.748 3.797 . 0 0 "[ . 1 . 2]" 1
371 1 11 ILE H 1 12 GLY H 3.650 . 5.500 4.466 4.417 4.548 . 0 0 "[ . 1 . 2]" 1
372 1 11 ILE H 1 13 TYR H 3.650 . 5.500 4.167 4.073 4.285 . 0 0 "[ . 1 . 2]" 1
373 1 11 ILE H 1 13 TYR HB3 3.650 . 5.500 4.512 4.325 4.659 . 0 0 "[ . 1 . 2]" 1
374 1 11 ILE H 1 31 TYR HA . . 2.800 1.956 1.875 2.038 . 0 0 "[ . 1 . 2]" 1
375 1 11 ILE H 1 31 TYR HB3 3.650 . 5.500 4.168 3.775 4.339 . 0 0 "[ . 1 . 2]" 1
376 1 11 ILE H 1 31 TYR QD 3.650 . 5.500 4.098 3.683 4.449 . 0 0 "[ . 1 . 2]" 1
377 1 11 ILE H 1 32 TYR HA 3.650 . 5.500 5.368 5.161 5.528 0.028 9 0 "[ . 1 . 2]" 1
378 1 11 ILE HA 1 11 ILE HB 2.650 . 3.500 3.038 3.017 3.048 . 0 0 "[ . 1 . 2]" 1
379 1 11 ILE HA 1 11 ILE MD 3.650 . 4.500 3.864 3.810 3.891 . 0 0 "[ . 1 . 2]" 1
380 1 11 ILE HA 1 11 ILE HG12 3.150 . 3.500 2.575 2.485 2.635 . 0 0 "[ . 1 . 2]" 1
381 1 11 ILE HA 1 11 ILE HG13 3.150 . 3.500 3.058 2.993 3.110 . 0 0 "[ . 1 . 2]" 1
382 1 11 ILE HA 1 11 ILE MG 2.650 . 2.800 2.396 2.344 2.457 . 0 0 "[ . 1 . 2]" 1
383 1 11 ILE HA 1 12 GLY H 2.300 . 2.800 2.125 2.087 2.171 . 0 0 "[ . 1 . 2]" 1
384 1 11 ILE HA 1 13 TYR H 3.150 . 3.500 3.408 3.276 3.504 0.004 16 0 "[ . 1 . 2]" 1
385 1 11 ILE HB 1 11 ILE MD 2.650 . 3.500 2.437 2.403 2.469 . 0 0 "[ . 1 . 2]" 1
386 1 11 ILE HB 1 11 ILE MD 2.300 . 2.800 2.170 2.009 2.321 . 0 0 "[ . 1 . 2]" 1
387 1 11 ILE HB 1 11 ILE HG13 2.650 . 3.500 2.474 2.428 2.503 . 0 0 "[ . 1 . 2]" 1
388 1 11 ILE HB 1 11 ILE MG 2.300 . 2.800 2.142 2.135 2.159 . 0 0 "[ . 1 . 2]" 1
389 1 11 ILE HB 1 12 GLY H 3.650 . 5.500 4.238 4.167 4.311 . 0 0 "[ . 1 . 2]" 1
390 1 11 ILE HB 1 31 TYR QD 2.650 . 3.500 2.373 2.096 2.692 . 0 0 "[ . 1 . 2]" 1
391 1 11 ILE HB 1 31 TYR QE 3.150 . 3.500 2.984 2.720 3.210 . 0 0 "[ . 1 . 2]" 1
392 1 11 ILE HB 1 31 TYR HA . . 2.800 2.667 2.348 2.848 0.048 4 0 "[ . 1 . 2]" 1
393 1 11 ILE HB 1 31 TYR HB3 3.650 . 5.500 3.883 3.379 4.291 . 0 0 "[ . 1 . 2]" 1
394 1 11 ILE HB 1 31 TYR QD 3.150 . 3.500 2.610 2.158 3.121 . 0 0 "[ . 1 . 2]" 1
395 1 11 ILE HB 1 31 TYR QE 3.650 . 5.500 3.311 3.014 3.661 . 0 0 "[ . 1 . 2]" 1
396 1 11 ILE MD 1 11 ILE HG13 2.300 . 2.800 2.121 2.113 2.130 . 0 0 "[ . 1 . 2]" 1
397 1 11 ILE MD 1 11 ILE MG 2.300 . 2.800 1.961 1.922 1.987 . 0 0 "[ . 1 . 2]" 1
398 1 11 ILE MD 1 12 GLY H 3.650 . 5.500 5.216 5.099 5.281 . 0 0 "[ . 1 . 2]" 1
399 1 11 ILE MD 1 30 PRO HA 3.650 . 4.500 3.789 3.318 4.100 . 0 0 "[ . 1 . 2]" 1
400 1 11 ILE MD 1 30 PRO HB3 3.150 . 3.500 2.986 2.404 3.521 0.021 12 0 "[ . 1 . 2]" 1
401 1 11 ILE MD 1 31 TYR HA 3.650 . 4.500 3.835 3.431 4.206 . 0 0 "[ . 1 . 2]" 1
402 1 11 ILE MD 1 31 TYR QD 3.650 . 4.500 3.771 2.855 4.211 . 0 0 "[ . 1 . 2]" 1
403 1 11 ILE MD 1 31 TYR QE 3.150 . 4.500 3.515 2.457 4.028 . 0 0 "[ . 1 . 2]" 1
404 1 11 ILE HG12 1 12 GLY H 2.650 . 3.500 2.683 2.603 2.748 . 0 0 "[ . 1 . 2]" 1
405 1 11 ILE HG12 1 12 GLY H 3.150 . 4.500 3.407 3.168 3.578 . 0 0 "[ . 1 . 2]" 1
406 1 11 ILE HG13 1 31 TYR HA 3.650 . 5.500 3.264 2.895 3.709 . 0 0 "[ . 1 . 2]" 1
407 1 11 ILE HG13 1 31 TYR QD 3.650 . 5.500 4.602 4.130 4.948 . 0 0 "[ . 1 . 2]" 1
408 1 11 ILE HG13 1 31 TYR QE 3.650 . 5.500 5.245 4.682 5.524 0.024 4 0 "[ . 1 . 2]" 1
409 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.818 2.673 2.895 . 0 0 "[ . 1 . 2]" 1
410 1 11 ILE MG 1 12 GLY H 2.300 . 2.800 2.791 2.658 2.855 0.055 4 0 "[ . 1 . 2]" 1
411 1 11 ILE MG 1 12 GLY HA2 3.150 . 4.500 3.626 3.555 3.790 . 0 0 "[ . 1 . 2]" 1
412 1 11 ILE MG 1 12 GLY HA3 3.150 . 4.500 3.548 3.342 3.762 . 0 0 "[ . 1 . 2]" 1
413 1 11 ILE MG 1 12 GLY HA3 2.650 . 3.500 3.373 3.237 3.472 . 0 0 "[ . 1 . 2]" 1
414 1 11 ILE MG 1 31 TYR QD 3.150 . 4.500 2.982 2.727 3.371 . 0 0 "[ . 1 . 2]" 1
415 1 11 ILE MG 1 31 TYR QE 2.650 . 3.500 2.621 2.371 2.830 . 0 0 "[ . 1 . 2]" 1
416 1 11 ILE MG 1 31 TYR HB3 3.650 . 5.500 4.879 4.472 5.304 . 0 0 "[ . 1 . 2]" 1
417 1 11 ILE MG 1 31 TYR QD 3.150 . 4.500 3.149 2.809 3.714 . 0 0 "[ . 1 . 2]" 1
418 1 11 ILE MG 1 31 TYR QE 3.150 . 3.500 2.761 2.453 3.036 . 0 0 "[ . 1 . 2]" 1
419 1 12 GLY H 1 12 GLY HA2 2.650 . 3.500 2.390 2.342 2.461 . 0 0 "[ . 1 . 2]" 1
420 1 12 GLY H 1 12 GLY HA3 2.650 . 3.500 2.935 2.909 2.953 . 0 0 "[ . 1 . 2]" 1
421 1 12 GLY H 1 13 TYR H 2.650 . 3.500 2.412 2.235 2.686 . 0 0 "[ . 1 . 2]" 1
422 1 12 GLY H 1 13 TYR HB3 3.150 . 4.500 3.969 3.884 4.076 . 0 0 "[ . 1 . 2]" 1
423 1 12 GLY HA2 1 13 TYR H 3.150 . 4.500 3.346 3.112 3.441 . 0 0 "[ . 1 . 2]" 1
424 1 12 GLY HA3 1 13 TYR H 3.150 . 4.500 3.137 2.992 3.363 . 0 0 "[ . 1 . 2]" 1
425 1 13 TYR H 1 13 TYR HB2 2.300 . 2.800 2.540 2.462 2.628 . 0 0 "[ . 1 . 2]" 1
426 1 13 TYR H 1 13 TYR HB3 2.300 . 2.800 2.440 2.292 2.522 . 0 0 "[ . 1 . 2]" 1
427 1 13 TYR H 1 13 TYR HB3 2.300 . 2.800 2.342 2.205 2.426 . 0 0 "[ . 1 . 2]" 1
428 1 13 TYR H 1 13 TYR QD 3.150 . 4.500 4.212 4.119 4.271 . 0 0 "[ . 1 . 2]" 1
429 1 13 TYR HA 1 13 TYR HB2 2.650 . 2.800 2.440 2.391 2.491 . 0 0 "[ . 1 . 2]" 1
430 1 13 TYR HA 1 13 TYR HB3 2.650 . 3.500 3.026 3.019 3.034 . 0 0 "[ . 1 . 2]" 1
431 1 13 TYR HA 1 13 TYR QD 2.650 . 3.500 2.633 2.395 2.767 . 0 0 "[ . 1 . 2]" 1
432 1 13 TYR HA 1 14 SER H 2.300 . 2.800 2.126 2.064 2.191 . 0 0 "[ . 1 . 2]" 1
433 1 13 TYR HA 1 14 SER HB3 3.650 . 5.500 4.045 3.990 4.126 . 0 0 "[ . 1 . 2]" 1
434 1 13 TYR HB2 1 13 TYR QD 2.300 . 2.800 2.552 2.462 2.643 . 0 0 "[ . 1 . 2]" 1
435 1 13 TYR HB3 1 13 TYR QD 2.300 . 2.800 2.293 2.254 2.345 . 0 0 "[ . 1 . 2]" 1
436 1 13 TYR HB3 1 14 SER H 3.650 . 5.500 4.354 4.221 4.456 . 0 0 "[ . 1 . 2]" 1
437 1 13 TYR QD 1 14 SER H 3.150 . 4.500 3.632 3.198 3.989 . 0 0 "[ . 1 . 2]" 1
438 1 13 TYR QD 1 17 THR MG 3.150 . 4.500 2.793 2.208 3.405 . 0 0 "[ . 1 . 2]" 1
439 1 13 TYR QE 1 15 GLY HA3 3.650 . 4.500 3.079 2.763 3.224 . 0 0 "[ . 1 . 2]" 1
440 1 13 TYR QE 1 16 PRO HD3 3.650 . 5.500 5.040 4.505 5.195 . 0 0 "[ . 1 . 2]" 1
441 1 13 TYR QE 1 17 THR HA 3.650 . 4.500 3.106 2.389 3.837 . 0 0 "[ . 1 . 2]" 1
442 1 13 TYR QE 1 17 THR MG 2.650 . 3.500 3.110 2.540 3.508 0.008 3 0 "[ . 1 . 2]" 1
443 1 14 SER H 1 14 SER HB3 3.150 . 4.500 3.030 2.875 3.277 . 0 0 "[ . 1 . 2]" 1
444 1 14 SER H 1 15 GLY H . . 3.500 2.422 2.115 2.695 . 0 0 "[ . 1 . 2]" 1
445 1 14 SER HA 1 14 SER HB2 2.300 . 2.800 2.558 2.524 2.648 . 0 0 "[ . 1 . 2]" 1
446 1 14 SER HA 1 14 SER HB3 2.650 . 2.800 2.355 2.295 2.395 . 0 0 "[ . 1 . 2]" 1
447 1 14 SER HB2 1 15 GLY H 3.650 . 5.500 4.131 4.023 4.212 . 0 0 "[ . 1 . 2]" 1
448 1 15 GLY H 1 15 GLY HA3 2.650 . 3.500 2.343 2.290 2.410 . 0 0 "[ . 1 . 2]" 1
449 1 15 GLY HA2 1 16 PRO HD2 . . 2.800 2.674 2.453 2.831 0.031 3 0 "[ . 1 . 2]" 1
450 1 15 GLY HA2 1 16 PRO HD3 2.650 . 3.500 2.997 2.857 3.159 . 0 0 "[ . 1 . 2]" 1
451 1 15 GLY HA2 1 16 PRO QG 3.150 . 4.500 4.291 4.117 4.440 . 0 0 "[ . 1 . 2]" 1
452 1 15 GLY HA2 1 16 PRO QG 3.150 . 4.500 4.217 4.062 4.338 . 0 0 "[ . 1 . 2]" 1
453 1 15 GLY HA2 1 16 PRO QG 3.650 . 5.500 4.049 3.940 4.149 . 0 0 "[ . 1 . 2]" 1
454 1 15 GLY HA3 1 16 PRO HD2 2.300 . 2.800 1.987 1.891 2.084 . 0 0 "[ . 1 . 2]" 1
455 1 15 GLY HA3 1 16 PRO QG 2.650 . 3.500 3.533 3.525 3.543 0.043 1 0 "[ . 1 . 2]" 1
456 1 16 PRO HA 1 16 PRO HB3 2.300 . 2.800 2.291 2.258 2.310 . 0 0 "[ . 1 . 2]" 1
457 1 16 PRO HA 1 16 PRO HD2 3.650 . 4.500 4.059 4.027 4.090 . 0 0 "[ . 1 . 2]" 1
458 1 16 PRO HA 1 16 PRO HD3 2.650 . 3.500 3.256 3.164 3.332 . 0 0 "[ . 1 . 2]" 1
459 1 16 PRO HA 1 16 PRO QG 3.150 . 4.500 3.467 3.455 3.479 . 0 0 "[ . 1 . 2]" 1
460 1 16 PRO HA 1 16 PRO QG 2.650 . 3.500 3.344 3.296 3.398 . 0 0 "[ . 1 . 2]" 1
461 1 16 PRO HA 1 17 THR H 2.300 . 2.800 2.193 2.164 2.250 . 0 0 "[ . 1 . 2]" 1
462 1 16 PRO HA 1 18 VAL H 3.650 . 5.500 3.491 3.185 3.845 . 0 0 "[ . 1 . 2]" 1
463 1 16 PRO HB2 1 16 PRO HD2 3.650 . 4.500 4.085 4.043 4.106 . 0 0 "[ . 1 . 2]" 1
464 1 16 PRO HB2 1 16 PRO HD3 3.650 . 4.500 3.784 3.739 3.834 . 0 0 "[ . 1 . 2]" 1
465 1 16 PRO HB2 1 16 PRO QG 2.300 . 2.800 2.208 2.190 2.222 . 0 0 "[ . 1 . 2]" 1
466 1 16 PRO HB2 1 17 THR H 3.650 . 4.500 3.830 3.558 4.011 . 0 0 "[ . 1 . 2]" 1
467 1 16 PRO HB2 1 17 THR HA 3.650 . 5.500 3.933 3.826 4.013 . 0 0 "[ . 1 . 2]" 1
468 1 16 PRO HB2 1 18 VAL H 3.650 . 5.500 3.893 3.402 4.610 . 0 0 "[ . 1 . 2]" 1
469 1 16 PRO HB3 1 16 PRO HD2 3.150 . 4.500 3.823 3.778 3.885 . 0 0 "[ . 1 . 2]" 1
470 1 16 PRO HB3 1 16 PRO HD3 3.650 . 4.500 2.775 2.674 2.916 . 0 0 "[ . 1 . 2]" 1
471 1 16 PRO HB3 1 16 PRO QG 2.300 . 2.800 2.287 2.265 2.311 . 0 0 "[ . 1 . 2]" 1
472 1 16 PRO HB3 1 17 THR H 3.650 . 4.500 4.139 3.847 4.265 . 0 0 "[ . 1 . 2]" 1
473 1 16 PRO HD2 1 16 PRO QG 2.300 . 2.800 2.146 2.128 2.167 . 0 0 "[ . 1 . 2]" 1
474 1 16 PRO HD3 1 16 PRO QG 2.650 . 2.800 2.266 2.246 2.290 . 0 0 "[ . 1 . 2]" 1
475 1 17 THR H 1 17 THR HA 2.300 . 2.800 2.132 2.109 2.164 . 0 0 "[ . 1 . 2]" 1
476 1 17 THR H 1 17 THR MG 2.650 . 3.500 2.772 2.542 3.200 . 0 0 "[ . 1 . 2]" 1
477 1 17 THR H 1 18 VAL H 2.650 . 3.500 2.166 1.961 2.381 . 0 0 "[ . 1 . 2]" 1
478 1 17 THR H 1 18 VAL MG2 3.150 . 4.500 3.470 3.138 3.690 . 0 0 "[ . 1 . 2]" 1
479 1 17 THR HA 1 17 THR HB 2.300 . 2.800 2.554 2.492 2.622 . 0 0 "[ . 1 . 2]" 1
480 1 17 THR HA 1 17 THR MG 2.650 . 2.800 2.274 2.207 2.329 . 0 0 "[ . 1 . 2]" 1
481 1 17 THR HA 1 18 VAL H 3.650 . 5.500 3.397 3.267 3.479 . 0 0 "[ . 1 . 2]" 1
482 1 17 THR HA 1 25 CYS HB2 3.650 . 5.500 4.490 4.353 4.607 . 0 0 "[ . 1 . 2]" 1
483 1 17 THR HB 1 17 THR MG 2.300 . 2.800 2.146 2.139 2.153 . 0 0 "[ . 1 . 2]" 1
484 1 17 THR HB 1 25 CYS HB3 3.150 . 4.500 4.521 4.501 4.544 0.044 18 0 "[ . 1 . 2]" 1
485 1 17 THR MG 1 18 VAL H 3.650 . 5.500 4.181 4.012 4.306 . 0 0 "[ . 1 . 2]" 1
486 1 18 VAL H 1 18 VAL HB 2.650 . 3.500 2.518 2.444 2.565 . 0 0 "[ . 1 . 2]" 1
487 1 18 VAL H 1 18 VAL MG2 2.650 . 3.500 2.278 2.109 2.463 . 0 0 "[ . 1 . 2]" 1
488 1 18 VAL HA 1 18 VAL HB 2.650 . 3.500 3.040 3.032 3.050 . 0 0 "[ . 1 . 2]" 1
489 1 18 VAL HA 1 18 VAL QG 2.300 . 2.800 2.155 2.132 2.169 . 0 0 "[ . 1 . 2]" 1
490 1 18 VAL HA 1 19 CYS H 2.650 . 2.800 2.147 2.096 2.206 . 0 0 "[ . 1 . 2]" 1
491 1 18 VAL HA 1 19 CYS HB2 3.650 . 5.500 4.459 4.388 4.573 . 0 0 "[ . 1 . 2]" 1
492 1 18 VAL MG1 1 19 CYS H 2.650 . 3.500 2.874 2.534 3.096 . 0 0 "[ . 1 . 2]" 1
493 1 18 VAL MG1 1 19 CYS HA 3.150 . 4.500 4.151 3.960 4.305 . 0 0 "[ . 1 . 2]" 1
494 1 19 CYS H 1 19 CYS HB2 2.650 . 3.500 2.335 2.299 2.412 . 0 0 "[ . 1 . 2]" 1
495 1 19 CYS H 1 19 CYS HB3 3.150 . 4.500 3.568 3.545 3.603 . 0 0 "[ . 1 . 2]" 1
496 1 19 CYS H 1 19 CYS HB3 2.650 . 3.500 3.360 3.277 3.447 . 0 0 "[ . 1 . 2]" 1
497 1 19 CYS H 1 20 ALA H 3.650 . 5.500 4.552 4.505 4.595 . 0 0 "[ . 1 . 2]" 1
498 1 19 CYS H 1 25 CYS HB2 3.650 . 5.500 4.269 3.969 4.618 . 0 0 "[ . 1 . 2]" 1
499 1 19 CYS HA 1 25 CYS HB2 3.650 . 5.500 4.439 4.326 4.518 . 0 0 "[ . 1 . 2]" 1
500 1 19 CYS HA 1 19 CYS HB2 2.650 . 3.500 3.002 2.990 3.028 . 0 0 "[ . 1 . 2]" 1
501 1 19 CYS HA 1 19 CYS HB2 2.650 . 2.800 2.357 2.260 2.398 . 0 0 "[ . 1 . 2]" 1
502 1 19 CYS HA 1 19 CYS HB3 2.650 . 3.500 2.524 2.495 2.556 . 0 0 "[ . 1 . 2]" 1
503 1 19 CYS HA 1 20 ALA H 2.300 . 2.800 2.383 2.255 2.573 . 0 0 "[ . 1 . 2]" 1
504 1 19 CYS HA 1 25 CYS HB2 4.150 . 6.500 5.297 5.029 5.750 . 0 0 "[ . 1 . 2]" 1
505 1 19 CYS HA 1 35 CYS HB2 3.150 . 4.500 4.512 4.470 4.539 0.039 19 0 "[ . 1 . 2]" 1
506 1 19 CYS HB2 1 24 THR H 3.650 . 5.500 4.962 4.685 5.120 . 0 0 "[ . 1 . 2]" 1
507 1 19 CYS HB2 1 24 THR HA 2.650 . 3.500 3.323 3.002 3.517 0.017 15 0 "[ . 1 . 2]" 1
508 1 19 CYS HB2 1 24 THR HB 4.150 . 6.500 3.909 3.645 4.158 . 0 0 "[ . 1 . 2]" 1
509 1 19 CYS HB2 1 25 CYS H 3.650 . 5.500 3.862 3.527 4.164 . 0 0 "[ . 1 . 2]" 1
510 1 19 CYS HB2 1 25 CYS HB2 3.650 . 4.500 4.148 3.887 4.360 . 0 0 "[ . 1 . 2]" 1
511 1 19 CYS HB2 1 36 LEU H 3.650 . 5.500 4.675 4.325 5.043 . 0 0 "[ . 1 . 2]" 1
512 1 19 CYS HB2 1 35 CYS HB2 3.650 . 5.500 5.107 5.059 5.156 . 0 0 "[ . 1 . 2]" 1
513 1 19 CYS HB3 1 20 ALA H 3.150 . 4.500 2.236 1.985 2.540 . 0 0 "[ . 1 . 2]" 1
514 1 19 CYS HB3 1 20 ALA HA 3.650 . 5.500 4.505 4.423 4.619 . 0 0 "[ . 1 . 2]" 1
515 1 19 CYS HB3 1 20 ALA MB 3.650 . 5.500 3.818 3.731 3.989 . 0 0 "[ . 1 . 2]" 1
516 1 19 CYS HB3 1 23 THR MG 3.650 . 5.500 4.070 3.941 4.310 . 0 0 "[ . 1 . 2]" 1
517 1 19 CYS HB3 1 24 THR HA 3.650 . 5.500 4.067 3.772 4.301 . 0 0 "[ . 1 . 2]" 1
518 1 19 CYS HB3 1 24 THR HA 3.150 . 4.500 3.966 3.692 4.171 . 0 0 "[ . 1 . 2]" 1
519 1 19 CYS HB3 1 35 CYS HA 3.650 . 5.500 5.359 5.276 5.419 . 0 0 "[ . 1 . 2]" 1
520 1 19 CYS HB3 1 35 CYS HB2 3.150 . 4.500 4.437 4.403 4.470 . 0 0 "[ . 1 . 2]" 1
521 1 19 CYS HB3 1 35 CYS HB3 3.650 . 4.500 4.521 4.506 4.539 0.039 12 0 "[ . 1 . 2]" 1
522 1 20 ALA H 1 20 ALA MB 2.650 . 2.800 2.197 2.150 2.258 . 0 0 "[ . 1 . 2]" 1
523 1 20 ALA H 1 23 THR H 3.650 . 5.500 4.560 4.318 4.835 . 0 0 "[ . 1 . 2]" 1
524 1 20 ALA HA 1 20 ALA MB 2.300 . 2.800 2.140 2.129 2.154 . 0 0 "[ . 1 . 2]" 1
525 1 20 ALA HA 1 21 SER H 2.650 . 2.800 2.483 2.394 2.644 . 0 0 "[ . 1 . 2]" 1
526 1 20 ALA MB 1 21 SER H 2.650 . 3.500 2.347 2.110 2.656 . 0 0 "[ . 1 . 2]" 1
527 1 20 ALA MB 1 21 SER QB 3.150 . 4.500 3.974 3.760 4.350 . 0 0 "[ . 1 . 2]" 1
528 1 20 ALA MB 1 23 THR HB 3.150 . 4.500 4.416 4.210 4.533 0.033 13 0 "[ . 1 . 2]" 1
529 1 20 ALA MB 1 23 THR MG 3.150 . 4.500 3.159 2.841 3.726 . 0 0 "[ . 1 . 2]" 1
530 1 20 ALA MB 1 35 CYS HB2 3.650 . 5.500 5.414 5.248 5.522 0.022 9 0 "[ . 1 . 2]" 1
531 1 20 ALA MB 1 35 CYS HB3 3.650 . 5.500 4.941 4.767 5.076 . 0 0 "[ . 1 . 2]" 1
532 1 21 SER H 1 21 SER QB 2.650 . 2.800 2.485 2.414 2.674 . 0 0 "[ . 1 . 2]" 1
533 1 21 SER H 1 22 GLY H 3.650 . 5.500 4.437 4.375 4.488 . 0 0 "[ . 1 . 2]" 1
534 1 21 SER HA 1 21 SER QB 2.650 . 2.800 2.315 2.146 2.357 . 0 0 "[ . 1 . 2]" 1
535 1 21 SER HA 1 22 GLY H 2.650 . 2.800 2.148 2.093 2.206 . 0 0 "[ . 1 . 2]" 1
536 1 21 SER HA 1 23 THR H 3.650 . 4.500 3.523 3.125 3.711 . 0 0 "[ . 1 . 2]" 1
537 1 21 SER QB 1 22 GLY H 3.650 . 4.500 3.388 3.200 3.498 . 0 0 "[ . 1 . 2]" 1
538 1 21 SER QB 1 23 THR H 3.650 . 5.500 4.792 4.641 4.968 . 0 0 "[ . 1 . 2]" 1
539 1 22 GLY H 1 22 GLY HA2 2.650 . 3.500 2.386 2.332 2.432 . 0 0 "[ . 1 . 2]" 1
540 1 22 GLY H 1 22 GLY HA3 2.650 . 3.500 2.930 2.904 2.946 . 0 0 "[ . 1 . 2]" 1
541 1 22 GLY H 1 23 THR H 2.650 . 3.500 2.299 2.087 2.535 . 0 0 "[ . 1 . 2]" 1
542 1 22 GLY H 1 24 THR HA 4.150 . 6.500 6.236 5.909 6.522 0.022 9 0 "[ . 1 . 2]" 1
543 1 22 GLY HA2 1 23 THR H 3.150 . 4.500 3.265 3.037 3.433 . 0 0 "[ . 1 . 2]" 1
544 1 22 GLY HA2 1 23 THR MG 3.650 . 5.500 4.528 4.376 4.754 . 0 0 "[ . 1 . 2]" 1
545 1 22 GLY HA3 1 23 THR H 3.150 . 4.500 3.254 3.046 3.444 . 0 0 "[ . 1 . 2]" 1
546 1 22 GLY HA3 1 23 THR MG 3.650 . 4.500 3.645 3.476 3.787 . 0 0 "[ . 1 . 2]" 1
547 1 23 THR H 1 23 THR HB 3.650 . 5.500 3.769 3.681 3.854 . 0 0 "[ . 1 . 2]" 1
548 1 23 THR H 1 23 THR MG 3.150 . 3.500 3.029 2.719 3.294 . 0 0 "[ . 1 . 2]" 1
549 1 23 THR H 1 24 THR HA 3.650 . 5.500 4.867 4.660 5.094 . 0 0 "[ . 1 . 2]" 1
550 1 23 THR HA 1 23 THR HB 2.650 . 2.800 2.550 2.510 2.639 . 0 0 "[ . 1 . 2]" 1
551 1 23 THR HA 1 23 THR MG 2.650 . 2.800 2.312 2.231 2.377 . 0 0 "[ . 1 . 2]" 1
552 1 23 THR HA 1 24 THR H 2.300 . 2.800 2.310 2.223 2.360 . 0 0 "[ . 1 . 2]" 1
553 1 23 THR HA 1 24 THR MG 3.150 . 4.500 3.700 3.506 3.826 . 0 0 "[ . 1 . 2]" 1
554 1 23 THR HA 1 36 LEU H 3.650 . 5.500 4.781 4.609 5.058 . 0 0 "[ . 1 . 2]" 1
555 1 23 THR HB 1 24 THR H 2.650 . 2.800 2.791 2.701 2.814 0.014 10 0 "[ . 1 . 2]" 1
556 1 23 THR HB 1 35 CYS HA 3.150 . 4.500 4.378 4.299 4.474 . 0 0 "[ . 1 . 2]" 1
557 1 23 THR HB 1 35 CYS HB2 3.150 . 4.500 4.441 4.353 4.498 . 0 0 "[ . 1 . 2]" 1
558 1 23 THR HB 1 35 CYS HB3 3.150 . 3.500 3.527 3.507 3.575 0.075 13 0 "[ . 1 . 2]" 1
559 1 23 THR MG 1 24 THR H 3.150 . 4.500 3.668 3.449 3.786 . 0 0 "[ . 1 . 2]" 1
560 1 23 THR MG 1 35 CYS HA 3.650 . 5.500 5.400 5.232 5.508 0.008 18 0 "[ . 1 . 2]" 1
561 1 23 THR MG 1 35 CYS HB2 3.650 . 5.500 5.318 5.191 5.421 . 0 0 "[ . 1 . 2]" 1
562 1 23 THR MG 1 35 CYS HB3 3.650 . 4.500 4.143 4.030 4.235 . 0 0 "[ . 1 . 2]" 1
563 1 23 THR MG 1 36 LEU H 3.650 . 5.500 4.770 4.578 5.081 . 0 0 "[ . 1 . 2]" 1
564 1 23 THR MG 1 36 LEU HA 3.150 . 4.500 3.807 3.475 4.106 . 0 0 "[ . 1 . 2]" 1
565 1 24 THR H 1 24 THR HA 2.650 . 3.500 2.926 2.910 2.941 . 0 0 "[ . 1 . 2]" 1
566 1 24 THR H 1 24 THR HB 3.650 . 4.500 3.759 3.693 3.805 . 0 0 "[ . 1 . 2]" 1
567 1 24 THR H 1 24 THR MG 3.150 . 4.500 3.144 2.961 3.273 . 0 0 "[ . 1 . 2]" 1
568 1 24 THR H 1 26 GLN HE21 3.650 . 5.500 3.920 3.609 4.358 . 0 0 "[ . 1 . 2]" 1
569 1 24 THR H 1 35 CYS HA 3.150 . 4.500 4.145 4.060 4.247 . 0 0 "[ . 1 . 2]" 1
570 1 24 THR H 1 35 CYS HB2 3.650 . 5.500 5.535 5.509 5.557 0.057 12 0 "[ . 1 . 2]" 1
571 1 24 THR H 1 36 LEU H 2.650 . 3.500 2.908 2.775 3.179 . 0 0 "[ . 1 . 2]" 1
572 1 24 THR H 1 36 LEU QB 3.650 . 5.500 4.065 3.882 4.339 . 0 0 "[ . 1 . 2]" 1
573 1 24 THR H 1 36 LEU HG 4.150 . 6.500 5.725 5.580 5.931 . 0 0 "[ . 1 . 2]" 1
574 1 24 THR HA 1 24 THR HB 2.650 . 2.800 2.548 2.495 2.589 . 0 0 "[ . 1 . 2]" 1
575 1 24 THR HA 1 24 THR MG 2.650 . 3.500 2.292 2.232 2.351 . 0 0 "[ . 1 . 2]" 1
576 1 24 THR HA 1 25 CYS H 2.300 . 2.800 2.208 2.162 2.304 . 0 0 "[ . 1 . 2]" 1
577 1 24 THR HB 1 24 THR MG 2.300 . 2.800 2.137 2.126 2.143 . 0 0 "[ . 1 . 2]" 1
578 1 24 THR HB 1 25 CYS H 3.150 . 3.500 3.006 2.843 3.160 . 0 0 "[ . 1 . 2]" 1
579 1 24 THR HB 1 26 GLN H 3.150 . 4.500 3.496 3.298 3.845 . 0 0 "[ . 1 . 2]" 1
580 1 24 THR HB 1 26 GLN HE21 3.650 . 5.500 3.803 3.107 4.702 . 0 0 "[ . 1 . 2]" 1
581 1 24 THR HB 1 26 GLN HG3 3.650 . 5.500 3.584 3.234 4.095 . 0 0 "[ . 1 . 2]" 1
582 1 24 THR HB 1 36 LEU H 3.650 . 5.500 4.847 4.710 5.029 . 0 0 "[ . 1 . 2]" 1
583 1 24 THR MG 1 25 CYS H 3.150 . 4.500 3.692 3.563 3.830 . 0 0 "[ . 1 . 2]" 1
584 1 24 THR MG 1 25 CYS HA 4.150 . 6.500 5.596 5.539 5.646 . 0 0 "[ . 1 . 2]" 1
585 1 24 THR MG 1 26 GLN HA 4.150 . 6.500 6.313 6.167 6.503 0.003 16 0 "[ . 1 . 2]" 1
586 1 24 THR MG 1 26 GLN HE21 3.650 . 5.500 4.232 3.729 5.049 . 0 0 "[ . 1 . 2]" 1
587 1 24 THR MG 1 26 GLN HE22 4.150 . 6.500 5.307 4.775 6.280 . 0 0 "[ . 1 . 2]" 1
588 1 25 CYS H 1 25 CYS HB2 2.650 . 3.500 2.571 2.490 2.665 . 0 0 "[ . 1 . 2]" 1
589 1 25 CYS H 1 25 CYS HB3 2.650 . 3.500 2.541 2.481 2.587 . 0 0 "[ . 1 . 2]" 1
590 1 25 CYS H 1 26 GLN H 3.650 . 5.500 4.407 4.303 4.472 . 0 0 "[ . 1 . 2]" 1
591 1 25 CYS H 1 35 CYS HA 3.650 . 5.500 4.346 4.243 4.457 . 0 0 "[ . 1 . 2]" 1
592 1 25 CYS HA 1 25 CYS HB2 2.650 . 3.500 2.505 2.478 2.545 . 0 0 "[ . 1 . 2]" 1
593 1 25 CYS HA 1 25 CYS HB3 2.650 . 3.500 3.017 3.001 3.031 . 0 0 "[ . 1 . 2]" 1
594 1 25 CYS HA 1 26 GLN H 2.300 . 2.800 2.177 2.153 2.213 . 0 0 "[ . 1 . 2]" 1
595 1 25 CYS HA 1 26 GLN HB2 3.150 . 4.500 4.487 4.380 4.520 0.020 6 0 "[ . 1 . 2]" 1
596 1 25 CYS HA 1 27 VAL MG2 3.150 . 4.500 3.817 3.780 3.867 . 0 0 "[ . 1 . 2]" 1
597 1 25 CYS HA 1 35 CYS HA 2.300 . 2.800 2.096 2.018 2.178 . 0 0 "[ . 1 . 2]" 1
598 1 25 CYS HA 1 36 LEU H 2.650 . 3.500 2.766 2.727 2.784 . 0 0 "[ . 1 . 2]" 1
599 1 25 CYS HA 1 36 LEU MD1 3.150 . 4.500 3.838 3.800 3.888 . 0 0 "[ . 1 . 2]" 1
600 1 25 CYS HB2 1 26 GLN H 3.150 . 4.500 4.285 4.224 4.338 . 0 0 "[ . 1 . 2]" 1
601 1 26 GLN H 1 26 GLN HA 2.650 . 3.500 2.889 2.871 2.905 . 0 0 "[ . 1 . 2]" 1
602 1 26 GLN H 1 26 GLN HB2 2.650 . 2.800 2.445 2.415 2.469 . 0 0 "[ . 1 . 2]" 1
603 1 26 GLN H 1 26 GLN HB2 2.300 . 2.800 2.236 2.179 2.286 . 0 0 "[ . 1 . 2]" 1
604 1 26 GLN H 1 26 GLN HB3 2.650 . 3.500 3.523 3.502 3.536 0.036 8 0 "[ . 1 . 2]" 1
605 1 26 GLN H 1 26 GLN HB3 2.650 . 3.500 3.350 3.313 3.377 . 0 0 "[ . 1 . 2]" 1
606 1 26 GLN H 1 26 GLN HG2 3.150 . 4.500 3.878 3.643 4.124 . 0 0 "[ . 1 . 2]" 1
607 1 26 GLN H 1 26 GLN HG3 3.150 . 4.500 2.861 2.723 3.125 . 0 0 "[ . 1 . 2]" 1
608 1 26 GLN H 1 27 VAL H 2.650 . 3.500 3.178 2.950 3.354 . 0 0 "[ . 1 . 2]" 1
609 1 26 GLN H 1 36 LEU MD1 3.150 . 4.500 3.520 3.177 3.812 . 0 0 "[ . 1 . 2]" 1
610 1 26 GLN H 1 35 CYS H 3.650 . 5.500 3.948 3.909 3.999 . 0 0 "[ . 1 . 2]" 1
611 1 26 GLN H 1 36 LEU HG 3.650 . 4.500 3.915 3.613 4.154 . 0 0 "[ . 1 . 2]" 1
612 1 26 GLN H 1 35 CYS HA 2.650 . 3.500 2.660 2.523 2.771 . 0 0 "[ . 1 . 2]" 1
613 1 26 GLN HA 1 26 GLN HB2 2.650 . 3.500 3.002 2.989 3.022 . 0 0 "[ . 1 . 2]" 1
614 1 26 GLN HA 1 26 GLN HB3 2.300 . 2.800 2.497 2.458 2.581 . 0 0 "[ . 1 . 2]" 1
615 1 26 GLN HA 1 26 GLN HG2 2.650 . 3.500 2.465 2.336 2.525 . 0 0 "[ . 1 . 2]" 1
616 1 26 GLN HA 1 26 GLN HG3 3.150 . 3.500 3.036 2.884 3.265 . 0 0 "[ . 1 . 2]" 1
617 1 26 GLN HA 1 27 VAL H 2.300 . 2.800 2.097 1.999 2.180 . 0 0 "[ . 1 . 2]" 1
618 1 26 GLN HA 1 27 VAL MG2 3.150 . 4.500 3.534 3.344 3.784 . 0 0 "[ . 1 . 2]" 1
619 1 26 GLN HB2 1 26 GLN HE21 3.650 . 5.500 3.940 2.976 4.084 . 0 0 "[ . 1 . 2]" 1
620 1 26 GLN HB2 1 26 GLN HE22 3.650 . 5.500 4.041 3.644 4.251 . 0 0 "[ . 1 . 2]" 1
621 1 26 GLN HB2 1 26 GLN HG2 2.650 . 3.500 3.011 2.991 3.021 . 0 0 "[ . 1 . 2]" 1
622 1 26 GLN HB2 1 36 LEU MD1 2.300 . 2.800 2.019 1.967 2.052 . 0 0 "[ . 1 . 2]" 1
623 1 26 GLN HB2 1 36 LEU H 3.650 . 5.500 3.785 3.461 3.990 . 0 0 "[ . 1 . 2]" 1
624 1 26 GLN HB3 1 26 GLN HG3 2.650 . 3.500 3.013 3.003 3.021 . 0 0 "[ . 1 . 2]" 1
625 1 26 GLN HB3 1 27 VAL H 3.150 . 4.500 3.329 3.037 3.610 . 0 0 "[ . 1 . 2]" 1
626 1 26 GLN HB3 1 36 LEU QB 2.650 . 3.500 2.949 2.920 2.969 . 0 0 "[ . 1 . 2]" 1
627 1 26 GLN HB3 1 36 LEU MD1 2.650 . 3.500 3.421 3.103 3.514 0.014 18 0 "[ . 1 . 2]" 1
628 1 26 GLN HE21 1 26 GLN HG2 3.150 . 4.500 2.912 2.826 3.368 . 0 0 "[ . 1 . 2]" 1
629 1 26 GLN HE21 1 26 GLN HG3 3.150 . 4.500 2.212 2.177 2.262 . 0 0 "[ . 1 . 2]" 1
630 1 26 GLN HE21 1 36 LEU H 3.650 . 5.500 3.544 2.906 3.760 . 0 0 "[ . 1 . 2]" 1
631 1 26 GLN HE21 1 36 LEU QB 3.650 . 5.500 2.396 1.794 2.756 0.006 1 0 "[ . 1 . 2]" 1
632 1 26 GLN HE21 1 36 LEU MD1 3.650 . 5.500 3.823 3.278 4.165 . 0 0 "[ . 1 . 2]" 1
633 1 26 GLN HE22 1 26 GLN HG2 3.650 . 5.500 3.641 3.528 3.792 . 0 0 "[ . 1 . 2]" 1
634 1 26 GLN HE22 1 26 GLN HG3 3.650 . 5.500 3.462 3.444 3.481 . 0 0 "[ . 1 . 2]" 1
635 1 26 GLN HE22 1 36 LEU QB 3.650 . 4.500 2.494 2.298 2.614 . 0 0 "[ . 1 . 2]" 1
636 1 26 GLN HE22 1 36 LEU MD1 3.150 . 4.500 3.305 2.917 3.545 . 0 0 "[ . 1 . 2]" 1
637 1 26 GLN HG2 1 28 LEU MD2 3.150 . 4.500 4.204 4.041 4.527 0.027 5 0 "[ . 1 . 2]" 1
638 1 26 GLN HG3 1 27 VAL H 3.650 . 5.500 5.028 4.780 5.325 . 0 0 "[ . 1 . 2]" 1
639 1 26 GLN HG3 1 28 LEU MD2 3.150 . 4.500 3.744 3.475 4.181 . 0 0 "[ . 1 . 2]" 1
640 1 26 GLN HG3 1 36 LEU H 3.650 . 5.500 3.081 2.680 3.601 . 0 0 "[ . 1 . 2]" 1
641 1 26 GLN HG3 1 36 LEU QB 3.650 . 4.500 2.987 2.564 3.600 . 0 0 "[ . 1 . 2]" 1
642 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.481 2.411 2.549 . 0 0 "[ . 1 . 2]" 1
643 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.059 1.998 2.115 . 0 0 "[ . 1 . 2]" 1
644 1 27 VAL H 1 27 VAL MG2 2.300 . 2.800 2.224 2.098 2.358 . 0 0 "[ . 1 . 2]" 1
645 1 27 VAL H 1 27 VAL MG2 2.300 . 2.800 2.190 2.077 2.306 . 0 0 "[ . 1 . 2]" 1
646 1 27 VAL HA 1 27 VAL HB 2.650 . 3.500 3.041 3.033 3.048 . 0 0 "[ . 1 . 2]" 1
647 1 27 VAL HA 1 27 VAL MG1 2.650 . 2.800 2.436 2.380 2.478 . 0 0 "[ . 1 . 2]" 1
648 1 27 VAL HA 1 27 VAL MG2 2.300 . 2.800 2.400 2.357 2.466 . 0 0 "[ . 1 . 2]" 1
649 1 27 VAL HA 1 28 LEU H 2.300 . 2.800 2.129 2.097 2.180 . 0 0 "[ . 1 . 2]" 1
650 1 27 VAL HA 1 28 LEU MD1 3.650 . 5.500 5.331 5.088 5.508 0.008 14 0 "[ . 1 . 2]" 1
651 1 27 VAL HA 1 28 LEU HG 3.650 . 4.500 4.060 3.903 4.258 . 0 0 "[ . 1 . 2]" 1
652 1 27 VAL HA 1 33 SER HA 2.650 . 2.800 2.277 2.047 2.716 . 0 0 "[ . 1 . 2]" 1
653 1 27 VAL HA 1 33 SER HB2 3.150 . 4.500 3.856 3.628 4.182 . 0 0 "[ . 1 . 2]" 1
654 1 27 VAL HA 1 33 SER HB3 2.650 . 3.500 2.454 2.186 2.840 . 0 0 "[ . 1 . 2]" 1
655 1 27 VAL HA 1 34 GLN H 3.650 . 4.500 3.551 3.330 3.958 . 0 0 "[ . 1 . 2]" 1
656 1 27 VAL HB 1 27 VAL MG1 2.300 . 2.800 2.130 2.114 2.137 . 0 0 "[ . 1 . 2]" 1
657 1 27 VAL HB 1 27 VAL MG2 2.300 . 2.800 2.129 2.118 2.134 . 0 0 "[ . 1 . 2]" 1
658 1 27 VAL HB 1 27 VAL MG2 2.300 . 2.800 2.090 2.014 2.117 . 0 0 "[ . 1 . 2]" 1
659 1 27 VAL HB 1 33 SER HB3 3.650 . 5.500 4.738 4.479 5.111 . 0 0 "[ . 1 . 2]" 1
660 1 27 VAL HB 1 33 SER HB3 3.650 . 5.500 4.535 4.344 4.800 . 0 0 "[ . 1 . 2]" 1
661 1 27 VAL MG1 1 28 LEU H 2.650 . 2.800 2.742 2.572 2.817 0.017 6 0 "[ . 1 . 2]" 1
662 1 27 VAL MG1 1 28 LEU HA 3.650 . 5.500 4.055 3.858 4.280 . 0 0 "[ . 1 . 2]" 1
663 1 27 VAL MG1 1 29 ASN HA 3.150 . 4.500 3.730 3.457 3.986 . 0 0 "[ . 1 . 2]" 1
664 1 27 VAL MG1 1 29 ASN QB 3.650 . 5.500 4.427 4.376 4.488 . 0 0 "[ . 1 . 2]" 1
665 1 27 VAL MG1 1 30 PRO HA 3.650 . 4.500 2.866 2.694 2.997 . 0 0 "[ . 1 . 2]" 1
666 1 27 VAL MG1 1 30 PRO HD3 3.650 . 5.500 4.564 4.293 4.874 . 0 0 "[ . 1 . 2]" 1
667 1 27 VAL MG1 1 32 TYR H 3.650 . 5.500 4.679 4.341 5.107 . 0 0 "[ . 1 . 2]" 1
668 1 27 VAL MG1 1 33 SER HA 3.650 . 4.500 3.748 3.429 4.166 . 0 0 "[ . 1 . 2]" 1
669 1 27 VAL MG1 1 33 SER HB3 3.650 . 5.500 3.899 3.492 4.325 . 0 0 "[ . 1 . 2]" 1
670 1 27 VAL MG2 1 28 LEU H 2.650 . 3.500 3.187 3.059 3.455 . 0 0 "[ . 1 . 2]" 1
671 1 27 VAL MG2 1 33 SER HA 3.150 . 4.500 3.684 3.566 3.943 . 0 0 "[ . 1 . 2]" 1
672 1 27 VAL MG2 1 30 PRO HA 3.650 . 5.500 4.685 4.361 4.847 . 0 0 "[ . 1 . 2]" 1
673 1 27 VAL MG2 1 33 SER HA 3.150 . 4.500 3.973 3.790 4.468 . 0 0 "[ . 1 . 2]" 1
674 1 27 VAL MG2 1 33 SER HB2 3.650 . 5.500 3.760 3.455 4.433 . 0 0 "[ . 1 . 2]" 1
675 1 27 VAL MG2 1 33 SER HB3 3.650 . 4.500 2.759 2.477 3.421 . 0 0 "[ . 1 . 2]" 1
676 1 28 LEU H 1 28 LEU HA 2.650 . 3.500 2.776 2.749 2.796 . 0 0 "[ . 1 . 2]" 1
677 1 28 LEU H 1 28 LEU HB2 2.300 . 2.800 2.201 2.109 2.278 . 0 0 "[ . 1 . 2]" 1
678 1 28 LEU H 1 28 LEU MD1 3.150 . 4.500 3.599 3.523 3.698 . 0 0 "[ . 1 . 2]" 1
679 1 28 LEU H 1 28 LEU HG 2.650 . 2.800 2.530 2.395 2.801 0.001 9 0 "[ . 1 . 2]" 1
680 1 28 LEU H 1 32 TYR QD 3.650 . 4.500 3.621 3.465 3.799 . 0 0 "[ . 1 . 2]" 1
681 1 28 LEU H 1 33 SER HA . . 2.800 2.044 1.953 2.202 . 0 0 "[ . 1 . 2]" 1
682 1 28 LEU H 1 34 GLN H 2.650 . 3.500 3.287 3.020 3.508 0.008 9 0 "[ . 1 . 2]" 1
683 1 28 LEU HA 1 28 LEU HB2 2.650 . 3.500 3.019 3.010 3.029 . 0 0 "[ . 1 . 2]" 1
684 1 28 LEU HA 1 28 LEU HB3 2.650 . 2.800 2.448 2.421 2.485 . 0 0 "[ . 1 . 2]" 1
685 1 28 LEU HA 1 28 LEU MD1 3.650 . 4.500 3.855 3.814 3.883 . 0 0 "[ . 1 . 2]" 1
686 1 28 LEU HA 1 28 LEU MD2 2.650 . 3.500 2.164 2.083 2.249 . 0 0 "[ . 1 . 2]" 1
687 1 28 LEU HB2 1 28 LEU MD1 2.650 . 2.800 2.037 1.940 2.156 . 0 0 "[ . 1 . 2]" 1
688 1 28 LEU HB2 1 29 ASN HA 3.150 . 4.500 4.081 4.026 4.201 . 0 0 "[ . 1 . 2]" 1
689 1 28 LEU HB2 1 29 ASN QB 3.650 . 4.500 3.559 3.450 3.686 . 0 0 "[ . 1 . 2]" 1
690 1 28 LEU HB2 1 29 ASN HD21 3.650 . 5.500 3.338 2.344 4.729 . 0 0 "[ . 1 . 2]" 1
691 1 28 LEU HB2 1 29 ASN HD22 3.650 . 5.500 3.991 3.262 4.804 . 0 0 "[ . 1 . 2]" 1
692 1 28 LEU HB2 1 32 TYR HB3 3.650 . 4.500 3.389 3.215 3.510 . 0 0 "[ . 1 . 2]" 1
693 1 28 LEU HB2 1 32 TYR QD 3.150 . 3.500 2.390 2.181 2.566 . 0 0 "[ . 1 . 2]" 1
694 1 28 LEU HB2 1 32 TYR QE 3.150 . 3.500 3.332 3.126 3.507 0.007 18 0 "[ . 1 . 2]" 1
695 1 28 LEU HB2 1 33 SER H 3.650 . 5.500 4.184 3.737 4.427 . 0 0 "[ . 1 . 2]" 1
696 1 28 LEU HB2 1 33 SER HA 3.150 . 3.500 3.483 3.341 3.530 0.030 15 0 "[ . 1 . 2]" 1
697 1 28 LEU HB3 1 32 TYR HB2 3.650 . 5.500 5.262 5.125 5.350 . 0 0 "[ . 1 . 2]" 1
698 1 28 LEU HB3 1 32 TYR HB3 3.650 . 4.500 4.417 4.250 4.510 0.010 5 0 "[ . 1 . 2]" 1
699 1 28 LEU HB3 1 32 TYR QD 3.150 . 3.500 3.172 2.959 3.269 . 0 0 "[ . 1 . 2]" 1
700 1 28 LEU HB3 1 32 TYR QE 3.650 . 4.500 3.809 3.660 3.968 . 0 0 "[ . 1 . 2]" 1
701 1 28 LEU HB3 1 29 ASN QB 3.650 . 5.500 4.618 4.417 4.770 . 0 0 "[ . 1 . 2]" 1
702 1 28 LEU HB3 1 29 ASN HD21 3.650 . 5.500 3.949 2.455 5.368 . 0 0 "[ . 1 . 2]" 1
703 1 28 LEU HB3 1 29 ASN HD22 3.650 . 5.500 3.852 3.131 4.863 . 0 0 "[ . 1 . 2]" 1
704 1 28 LEU MD1 1 32 TYR HB3 3.650 . 5.500 4.128 3.999 4.303 . 0 0 "[ . 1 . 2]" 1
705 1 28 LEU MD1 1 32 TYR QD 3.150 . 3.500 2.081 1.946 2.325 . 0 0 "[ . 1 . 2]" 1
706 1 28 LEU MD1 1 32 TYR QE 2.650 . 3.500 1.967 1.874 2.158 . 0 0 "[ . 1 . 2]" 1
707 1 28 LEU MD1 1 33 SER HA 3.650 . 5.500 4.116 3.789 4.321 . 0 0 "[ . 1 . 2]" 1
708 1 28 LEU MD1 1 34 GLN H 3.650 . 4.500 3.531 3.243 3.759 . 0 0 "[ . 1 . 2]" 1
709 1 28 LEU MD1 1 34 GLN HB2 2.300 . 2.800 2.109 2.013 2.190 . 0 0 "[ . 1 . 2]" 1
710 1 28 LEU MD1 1 34 GLN HE22 3.150 . 4.500 3.341 2.604 3.705 . 0 0 "[ . 1 . 2]" 1
711 1 28 LEU MD2 1 29 ASN HA 3.650 . 5.500 4.728 4.512 4.949 . 0 0 "[ . 1 . 2]" 1
712 1 28 LEU MD2 1 32 TYR QD 3.150 . 4.500 4.489 4.356 4.517 0.017 18 0 "[ . 1 . 2]" 1
713 1 28 LEU MD2 1 32 TYR QE 3.650 . 4.500 4.533 4.507 4.557 0.057 2 0 "[ . 1 . 2]" 1
714 1 28 LEU MD2 1 34 GLN HE22 3.650 . 5.500 4.648 3.603 5.170 . 0 0 "[ . 1 . 2]" 1
715 1 28 LEU HG 1 33 SER HA 3.150 . 4.500 3.092 2.833 3.272 . 0 0 "[ . 1 . 2]" 1
716 1 28 LEU HG 1 34 GLN H 3.150 . 4.500 2.513 2.268 2.657 . 0 0 "[ . 1 . 2]" 1
717 1 29 ASN H 1 29 ASN HA 2.650 . 3.500 2.909 2.876 2.932 . 0 0 "[ . 1 . 2]" 1
718 1 29 ASN H 1 29 ASN QB 3.150 . 4.500 2.652 2.542 2.721 . 0 0 "[ . 1 . 2]" 1
719 1 29 ASN H 1 29 ASN QB 3.150 . 4.500 2.446 2.329 2.514 . 0 0 "[ . 1 . 2]" 1
720 1 29 ASN H 1 29 ASN HD21 2.650 . 3.500 3.126 2.549 3.504 0.004 17 0 "[ . 1 . 2]" 1
721 1 29 ASN H 1 30 PRO HD2 3.650 . 5.500 4.963 4.927 5.006 . 0 0 "[ . 1 . 2]" 1
722 1 29 ASN H 1 30 PRO HD3 3.650 . 5.500 4.871 4.796 4.998 . 0 0 "[ . 1 . 2]" 1
723 1 29 ASN H 1 32 TYR HB3 3.650 . 5.500 3.353 3.110 3.651 . 0 0 "[ . 1 . 2]" 1
724 1 29 ASN H 1 32 TYR HB3 3.650 . 4.500 3.437 3.159 3.798 . 0 0 "[ . 1 . 2]" 1
725 1 29 ASN HA 1 29 ASN QB 2.300 . 2.800 2.385 2.348 2.409 . 0 0 "[ . 1 . 2]" 1
726 1 29 ASN HA 1 29 ASN HD21 3.650 . 5.500 4.194 2.927 4.559 . 0 0 "[ . 1 . 2]" 1
727 1 29 ASN HA 1 30 PRO HB2 4.150 . 6.500 5.732 5.656 5.836 . 0 0 "[ . 1 . 2]" 1
728 1 29 ASN HA 1 30 PRO HB3 3.650 . 5.500 5.464 5.375 5.507 0.007 8 0 "[ . 1 . 2]" 1
729 1 29 ASN HA 1 30 PRO HD2 2.650 . 3.500 3.155 3.107 3.214 . 0 0 "[ . 1 . 2]" 1
730 1 29 ASN HA 1 30 PRO HD3 2.300 . 2.800 2.405 2.304 2.519 . 0 0 "[ . 1 . 2]" 1
731 1 29 ASN HA 1 30 PRO HD3 2.650 . 3.500 2.243 2.129 2.374 . 0 0 "[ . 1 . 2]" 1
732 1 29 ASN QB 1 29 ASN HD21 2.300 . 2.800 2.209 2.126 2.742 . 0 0 "[ . 1 . 2]" 1
733 1 29 ASN QB 1 29 ASN HD21 2.300 . 2.800 1.939 1.816 2.064 . 0 0 "[ . 1 . 2]" 1
734 1 29 ASN QB 1 29 ASN HD22 2.650 . 3.500 3.257 3.187 3.474 . 0 0 "[ . 1 . 2]" 1
735 1 29 ASN QB 1 29 ASN HD22 2.650 . 3.500 3.129 2.922 3.323 . 0 0 "[ . 1 . 2]" 1
736 1 29 ASN QB 1 30 PRO HB2 3.650 . 5.500 4.855 4.756 4.962 . 0 0 "[ . 1 . 2]" 1
737 1 29 ASN QB 1 30 PRO HD2 2.300 . 2.800 1.967 1.886 2.024 . 0 0 "[ . 1 . 2]" 1
738 1 29 ASN QB 1 30 PRO HD3 2.300 . 2.800 2.810 2.798 2.820 0.020 1 0 "[ . 1 . 2]" 1
739 1 29 ASN QB 1 30 PRO HG2 3.650 . 4.500 4.058 3.926 4.138 . 0 0 "[ . 1 . 2]" 1
740 1 29 ASN QB 1 31 TYR H 3.150 . 4.500 2.874 2.668 3.060 . 0 0 "[ . 1 . 2]" 1
741 1 29 ASN QB 1 32 TYR H 3.650 . 5.500 2.165 1.950 2.366 . 0 0 "[ . 1 . 2]" 1
742 1 29 ASN HD21 1 32 TYR HB3 2.650 . 3.500 2.421 2.107 3.518 0.018 10 0 "[ . 1 . 2]" 1
743 1 29 ASN HD21 1 32 TYR QD 3.150 . 4.500 3.219 2.459 4.352 . 0 0 "[ . 1 . 2]" 1
744 1 29 ASN HD22 1 32 TYR HB3 3.150 . 4.500 3.837 3.440 4.311 . 0 0 "[ . 1 . 2]" 1
745 1 30 PRO HA 1 30 PRO HB3 2.300 . 2.800 2.244 2.233 2.254 . 0 0 "[ . 1 . 2]" 1
746 1 30 PRO HA 1 30 PRO HG2 3.150 . 4.500 4.026 4.012 4.042 . 0 0 "[ . 1 . 2]" 1
747 1 30 PRO HA 1 31 TYR H 3.650 . 4.500 3.537 3.485 3.596 . 0 0 "[ . 1 . 2]" 1
748 1 30 PRO HB2 1 30 PRO HD2 3.150 . 4.500 3.521 3.418 3.725 . 0 0 "[ . 1 . 2]" 1
749 1 30 PRO HB2 1 30 PRO HD3 3.150 . 4.500 4.056 4.036 4.074 . 0 0 "[ . 1 . 2]" 1
750 1 30 PRO HB2 1 31 TYR H 3.150 . 4.500 2.968 2.768 3.167 . 0 0 "[ . 1 . 2]" 1
751 1 30 PRO HB2 1 31 TYR HA 3.150 . 4.500 3.959 3.850 4.118 . 0 0 "[ . 1 . 2]" 1
752 1 30 PRO HB3 1 30 PRO HD2 3.150 . 4.500 4.013 3.996 4.028 . 0 0 "[ . 1 . 2]" 1
753 1 30 PRO HB3 1 30 PRO HD3 3.650 . 4.500 3.745 3.543 3.817 . 0 0 "[ . 1 . 2]" 1
754 1 30 PRO HB3 1 31 TYR QE 3.650 . 5.500 4.799 4.255 5.412 . 0 0 "[ . 1 . 2]" 1
755 1 30 PRO HD2 1 30 PRO HG2 2.650 . 3.500 2.216 2.202 2.230 . 0 0 "[ . 1 . 2]" 1
756 1 30 PRO HD2 1 30 PRO HG3 2.650 . 3.500 2.879 2.807 2.907 . 0 0 "[ . 1 . 2]" 1
757 1 30 PRO HD2 1 31 TYR H 3.150 . 4.500 2.616 2.462 2.749 . 0 0 "[ . 1 . 2]" 1
758 1 30 PRO HD2 1 31 TYR QD 3.150 . 4.500 3.253 2.989 3.697 . 0 0 "[ . 1 . 2]" 1
759 1 30 PRO HD2 1 31 TYR QE 3.650 . 5.500 4.677 3.832 5.184 . 0 0 "[ . 1 . 2]" 1
760 1 30 PRO HD3 1 30 PRO HG2 2.650 . 3.500 2.828 2.798 2.893 . 0 0 "[ . 1 . 2]" 1
761 1 30 PRO HD3 1 30 PRO HG3 2.650 . 3.500 2.277 2.257 2.297 . 0 0 "[ . 1 . 2]" 1
762 1 30 PRO HD3 1 31 TYR H 3.650 . 4.500 3.937 3.818 4.053 . 0 0 "[ . 1 . 2]" 1
763 1 30 PRO HD3 1 31 TYR QD 3.650 . 5.500 4.788 4.571 5.314 . 0 0 "[ . 1 . 2]" 1
764 1 30 PRO HG2 1 31 TYR H 3.150 . 4.500 3.358 3.155 3.478 . 0 0 "[ . 1 . 2]" 1
765 1 30 PRO HG2 1 31 TYR HA 3.650 . 5.500 5.509 5.317 5.532 0.032 8 0 "[ . 1 . 2]" 1
766 1 30 PRO HG2 1 31 TYR QD 3.650 . 5.500 2.898 2.276 3.578 . 0 0 "[ . 1 . 2]" 1
767 1 30 PRO HG2 1 31 TYR QE 3.650 . 5.500 3.177 2.582 3.692 . 0 0 "[ . 1 . 2]" 1
768 1 30 PRO HG3 1 31 TYR QD 3.650 . 5.500 4.528 3.982 5.150 . 0 0 "[ . 1 . 2]" 1
769 1 30 PRO HG3 1 31 TYR QE 3.650 . 5.500 3.996 3.566 4.257 . 0 0 "[ . 1 . 2]" 1
770 1 31 TYR H 1 31 TYR HB2 2.650 . 3.500 2.539 2.415 2.657 . 0 0 "[ . 1 . 2]" 1
771 1 31 TYR H 1 31 TYR HB3 3.150 . 4.500 3.674 3.629 3.716 . 0 0 "[ . 1 . 2]" 1
772 1 31 TYR H 1 31 TYR QD 2.650 . 3.500 2.364 2.098 2.809 . 0 0 "[ . 1 . 2]" 1
773 1 31 TYR H 1 31 TYR QE 3.650 . 5.500 4.451 4.200 4.618 . 0 0 "[ . 1 . 2]" 1
774 1 31 TYR H 1 32 TYR H 2.300 . 2.800 2.198 2.102 2.281 . 0 0 "[ . 1 . 2]" 1
775 1 31 TYR HA 1 31 TYR HB2 2.650 . 3.500 3.028 3.013 3.048 . 0 0 "[ . 1 . 2]" 1
776 1 31 TYR HA 1 31 TYR HB3 2.650 . 3.500 2.470 2.382 2.557 . 0 0 "[ . 1 . 2]" 1
777 1 31 TYR HA 1 31 TYR QD 3.150 . 3.500 3.055 2.679 3.210 . 0 0 "[ . 1 . 2]" 1
778 1 31 TYR HA 1 31 TYR QE 3.650 . 5.500 4.715 4.607 4.829 . 0 0 "[ . 1 . 2]" 1
779 1 31 TYR HA 1 32 TYR H 3.150 . 4.500 3.488 3.447 3.529 . 0 0 "[ . 1 . 2]" 1
780 1 31 TYR HB2 1 31 TYR QD 2.300 . 2.800 2.488 2.314 2.656 . 0 0 "[ . 1 . 2]" 1
781 1 31 TYR HB2 1 31 TYR QE 3.150 . 4.500 4.440 4.376 4.484 . 0 0 "[ . 1 . 2]" 1
782 1 31 TYR HB2 1 32 TYR H 3.150 . 4.500 3.023 2.869 3.151 . 0 0 "[ . 1 . 2]" 1
783 1 31 TYR HB3 1 31 TYR QD 2.650 . 2.800 2.351 2.275 2.500 . 0 0 "[ . 1 . 2]" 1
784 1 31 TYR HB3 1 31 TYR QE 3.650 . 4.500 4.402 4.374 4.438 . 0 0 "[ . 1 . 2]" 1
785 1 31 TYR HB3 1 32 TYR H 3.650 . 5.500 3.966 3.852 4.077 . 0 0 "[ . 1 . 2]" 1
786 1 32 TYR H 1 32 TYR HB3 3.150 . 3.500 2.688 2.620 2.740 . 0 0 "[ . 1 . 2]" 1
787 1 32 TYR H 1 32 TYR QD 3.650 . 5.500 4.329 4.297 4.353 . 0 0 "[ . 1 . 2]" 1
788 1 32 TYR H 1 33 SER H 3.150 . 4.500 4.251 4.226 4.281 . 0 0 "[ . 1 . 2]" 1
789 1 32 TYR HA 1 32 TYR HB2 2.650 . 2.800 2.484 2.467 2.504 . 0 0 "[ . 1 . 2]" 1
790 1 32 TYR HA 1 32 TYR QD 2.650 . 3.500 2.581 2.345 2.785 . 0 0 "[ . 1 . 2]" 1
791 1 32 TYR HA 1 32 TYR QE 3.650 . 4.500 4.480 4.362 4.537 0.037 9 0 "[ . 1 . 2]" 1
792 1 32 TYR HA 1 33 SER H 2.300 . 2.800 2.087 2.051 2.116 . 0 0 "[ . 1 . 2]" 1
793 1 32 TYR HB2 1 32 TYR QD 2.300 . 2.800 2.507 2.406 2.593 . 0 0 "[ . 1 . 2]" 1
794 1 32 TYR HB2 1 32 TYR QE 3.150 . 4.500 4.441 4.401 4.472 . 0 0 "[ . 1 . 2]" 1
795 1 32 TYR HB3 1 32 TYR QD 2.650 . 2.800 2.331 2.299 2.356 . 0 0 "[ . 1 . 2]" 1
796 1 32 TYR HB3 1 32 TYR QE 3.650 . 4.500 4.402 4.381 4.419 . 0 0 "[ . 1 . 2]" 1
797 1 32 TYR HB3 1 33 SER H 3.650 . 5.500 4.278 4.241 4.308 . 0 0 "[ . 1 . 2]" 1
798 1 32 TYR QD 1 33 SER HA 3.650 . 5.500 4.186 3.937 4.403 . 0 0 "[ . 1 . 2]" 1
799 1 32 TYR QD 1 34 GLN HB2 3.150 . 4.500 3.670 3.342 4.086 . 0 0 "[ . 1 . 2]" 1
800 1 32 TYR QE 1 34 GLN H 3.650 . 5.500 4.731 4.501 4.978 . 0 0 "[ . 1 . 2]" 1
801 1 32 TYR QE 1 34 GLN HA 3.650 . 5.500 4.323 3.922 4.657 . 0 0 "[ . 1 . 2]" 1
802 1 32 TYR QE 1 34 GLN HB2 2.650 . 3.500 2.360 1.909 2.877 . 0 0 "[ . 1 . 2]" 1
803 1 32 TYR QE 1 34 GLN HE21 3.650 . 5.500 3.735 2.512 4.937 . 0 0 "[ . 1 . 2]" 1
804 1 32 TYR QE 1 34 GLN HG3 3.650 . 4.500 3.898 3.377 4.504 0.004 6 0 "[ . 1 . 2]" 1
805 1 33 SER H 1 33 SER HB2 2.650 . 3.500 2.679 2.591 2.741 . 0 0 "[ . 1 . 2]" 1
806 1 33 SER H 1 33 SER HB3 3.150 . 4.500 3.759 3.724 3.793 . 0 0 "[ . 1 . 2]" 1
807 1 33 SER H 1 34 GLN H 3.650 . 5.500 4.307 4.196 4.391 . 0 0 "[ . 1 . 2]" 1
808 1 33 SER H 1 34 GLN HB2 3.650 . 5.500 3.909 3.663 4.157 . 0 0 "[ . 1 . 2]" 1
809 1 33 SER HA 1 33 SER HB3 2.650 . 3.500 2.441 2.411 2.487 . 0 0 "[ . 1 . 2]" 1
810 1 33 SER HA 1 34 GLN H . . 2.800 2.226 2.182 2.272 . 0 0 "[ . 1 . 2]" 1
811 1 33 SER HA 1 34 GLN HB2 3.650 . 5.500 4.299 4.126 4.532 . 0 0 "[ . 1 . 2]" 1
812 1 33 SER HB2 1 34 GLN H 3.150 . 4.500 4.062 3.963 4.177 . 0 0 "[ . 1 . 2]" 1
813 1 33 SER HB3 1 34 GLN H 2.650 . 3.500 3.236 3.126 3.401 . 0 0 "[ . 1 . 2]" 1
814 1 34 GLN H 1 34 GLN HB2 3.150 . 3.500 3.017 2.840 3.191 . 0 0 "[ . 1 . 2]" 1
815 1 34 GLN H 1 34 GLN HB3 2.650 . 3.500 2.592 2.458 2.696 . 0 0 "[ . 1 . 2]" 1
816 1 34 GLN H 1 35 CYS H 3.650 . 5.500 4.362 4.327 4.398 . 0 0 "[ . 1 . 2]" 1
817 1 34 GLN HA 1 34 GLN HB3 2.650 . 3.500 3.013 3.008 3.019 . 0 0 "[ . 1 . 2]" 1
818 1 34 GLN HA 1 34 GLN HG2 3.150 . 3.500 3.154 2.987 3.365 . 0 0 "[ . 1 . 2]" 1
819 1 34 GLN HA 1 34 GLN HG3 3.150 . 3.500 2.559 2.483 2.693 . 0 0 "[ . 1 . 2]" 1
820 1 34 GLN HA 1 35 CYS H 2.300 . 2.800 2.194 2.165 2.234 . 0 0 "[ . 1 . 2]" 1
821 1 34 GLN HA 1 35 CYS HB2 4.150 . 6.500 4.377 4.291 4.481 . 0 0 "[ . 1 . 2]" 1
822 1 34 GLN HB2 1 34 GLN HE21 3.650 . 5.500 3.423 2.776 3.980 . 0 0 "[ . 1 . 2]" 1
823 1 34 GLN HB2 1 34 GLN HG3 2.650 . 3.500 2.453 2.427 2.472 . 0 0 "[ . 1 . 2]" 1
824 1 34 GLN HB2 1 35 CYS H 3.150 . 4.500 4.116 3.965 4.226 . 0 0 "[ . 1 . 2]" 1
825 1 34 GLN HB3 1 34 GLN HG3 2.650 . 3.500 3.003 2.997 3.009 . 0 0 "[ . 1 . 2]" 1
826 1 34 GLN HB3 1 35 CYS H 3.650 . 4.500 4.005 3.824 4.180 . 0 0 "[ . 1 . 2]" 1
827 1 34 GLN HB3 1 36 LEU HG 3.650 . 5.500 3.200 2.812 3.530 . 0 0 "[ . 1 . 2]" 1
828 1 34 GLN HE21 1 34 GLN HG2 3.150 . 4.500 3.057 2.182 3.503 . 0 0 "[ . 1 . 2]" 1
829 1 34 GLN HE21 1 34 GLN HG3 2.650 . 3.500 2.462 2.186 3.435 . 0 0 "[ . 1 . 2]" 1
830 1 34 GLN HE21 1 36 LEU MD2 3.650 . 5.500 3.819 1.778 4.828 0.022 15 0 "[ . 1 . 2]" 1
831 1 34 GLN HE22 1 36 LEU MD2 3.650 . 5.500 3.792 2.711 4.529 . 0 0 "[ . 1 . 2]" 1
832 1 34 GLN HG2 1 35 CYS H 2.650 . 3.500 2.867 2.570 3.210 . 0 0 "[ . 1 . 2]" 1
833 1 34 GLN HG2 1 36 LEU MD2 3.150 . 3.500 2.666 2.320 3.077 . 0 0 "[ . 1 . 2]" 1
834 1 34 GLN HG2 1 36 LEU HG 3.150 . 3.500 2.828 2.267 3.292 . 0 0 "[ . 1 . 2]" 1
835 1 34 GLN HG3 1 35 CYS H 3.150 . 3.500 2.917 2.658 3.136 . 0 0 "[ . 1 . 2]" 1
836 1 34 GLN HG3 1 36 LEU HG 3.650 . 5.500 4.529 4.011 4.982 . 0 0 "[ . 1 . 2]" 1
837 1 35 CYS H 1 35 CYS HB2 2.650 . 3.500 2.585 2.516 2.664 . 0 0 "[ . 1 . 2]" 1
838 1 35 CYS H 1 35 CYS HB3 2.650 . 3.500 2.711 2.662 2.767 . 0 0 "[ . 1 . 2]" 1
839 1 35 CYS H 1 36 LEU MD2 3.650 . 5.500 4.551 4.214 4.834 . 0 0 "[ . 1 . 2]" 1
840 1 35 CYS HA 1 35 CYS HB2 2.650 . 3.500 2.567 2.540 2.600 . 0 0 "[ . 1 . 2]" 1
841 1 35 CYS HA 1 35 CYS HB3 2.650 . 3.500 3.005 2.994 3.017 . 0 0 "[ . 1 . 2]" 1
842 1 35 CYS HA 1 36 LEU H . . 2.800 2.062 2.013 2.102 . 0 0 "[ . 1 . 2]" 1
843 1 35 CYS HA 1 36 LEU QB 3.650 . 4.500 4.246 4.154 4.312 . 0 0 "[ . 1 . 2]" 1
844 1 35 CYS HA 1 36 LEU MD2 3.650 . 5.500 4.663 4.439 4.853 . 0 0 "[ . 1 . 2]" 1
845 1 35 CYS HA 1 36 LEU HG 3.150 . 4.500 3.881 3.730 4.070 . 0 0 "[ . 1 . 2]" 1
846 1 35 CYS HB2 1 36 LEU H 3.150 . 4.500 4.331 4.288 4.381 . 0 0 "[ . 1 . 2]" 1
847 1 36 LEU H 1 36 LEU QB 2.650 . 3.500 2.534 2.441 2.611 . 0 0 "[ . 1 . 2]" 1
848 1 36 LEU H 1 36 LEU MD1 3.650 . 4.500 4.033 3.899 4.085 . 0 0 "[ . 1 . 2]" 1
849 1 36 LEU H 1 36 LEU MD2 3.650 . 4.500 3.839 3.672 3.952 . 0 0 "[ . 1 . 2]" 1
850 1 36 LEU H 1 36 LEU HG 3.150 . 4.500 3.047 2.856 3.179 . 0 0 "[ . 1 . 2]" 1
851 1 36 LEU HA 1 36 LEU QB 2.300 . 2.800 2.368 2.343 2.392 . 0 0 "[ . 1 . 2]" 1
852 1 36 LEU HA 1 36 LEU MD2 2.300 . 2.800 2.092 1.977 2.240 . 0 0 "[ . 1 . 2]" 1
853 1 36 LEU HA 1 36 LEU HG 2.650 . 3.500 3.094 2.994 3.196 . 0 0 "[ . 1 . 2]" 1
854 1 36 LEU QB 1 36 LEU MD1 2.300 . 2.800 2.099 2.079 2.115 . 0 0 "[ . 1 . 2]" 1
855 1 36 LEU QB 1 36 LEU MD2 2.650 . 2.800 2.284 2.228 2.339 . 0 0 "[ . 1 . 2]" 1
856 1 36 LEU QB 1 36 LEU HG 2.300 . 2.800 2.379 2.352 2.406 . 0 0 "[ . 1 . 2]" 1
857 1 36 LEU MD2 1 36 LEU HG 2.300 . 2.800 2.129 2.121 2.138 . 0 0 "[ . 1 . 2]" 1
858 2 1 MAN H1 2 1 MAN H2 2.650 . 3.500 2.724 2.503 3.065 . 0 0 "[ . 1 . 2]" 1
859 2 1 MAN H3 2 1 MAN H5 2.650 . 2.800 2.375 2.171 2.628 . 0 0 "[ . 1 . 2]" 1
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