NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377741 |
1gh1   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gh1
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 1076
_Distance_constraint_stats_list.Viol_count 540
_Distance_constraint_stats_list.Viol_total 617.450
_Distance_constraint_stats_list.Viol_max 1.683
_Distance_constraint_stats_list.Viol_rms 0.0362
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0762
_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 ILE 0.026 0.026 14 0 "[ . 1 .]"
1 2 ASP 0.077 0.026 14 0 "[ . 1 .]"
1 3 CYS 0.051 0.021 13 0 "[ . 1 .]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 5 HIS 0.157 0.058 2 0 "[ . 1 .]"
1 6 VAL 0.108 0.058 2 0 "[ . 1 .]"
1 7 ASP 0.023 0.016 4 0 "[ . 1 .]"
1 8 SER 1.365 0.695 10 2 "[ - + .]"
1 9 LEU 0.050 0.021 3 0 "[ . 1 .]"
1 10 VAL 2.545 0.363 15 0 "[ . 1 .]"
1 11 ARG 1.960 0.695 10 2 "[ - + .]"
1 12 PRO 0.084 0.036 4 0 "[ . 1 .]"
1 13 CYS 0.420 0.056 1 0 "[ . 1 .]"
1 14 LEU 0.049 0.049 8 0 "[ . 1 .]"
1 15 SER 1.388 0.218 5 0 "[ . 1 .]"
1 16 TYR 0.058 0.058 13 0 "[ . 1 .]"
1 17 VAL 0.011 0.005 8 0 "[ . 1 .]"
1 18 GLN 1.894 0.218 5 0 "[ . 1 .]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 20 GLY 0.506 0.046 1 0 "[ . 1 .]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 22 GLY 0.566 0.072 11 0 "[ . 1 .]"
1 23 PRO 0.571 0.065 8 0 "[ . 1 .]"
1 24 SER 3.127 0.126 5 0 "[ . 1 .]"
1 25 GLY 0.003 0.003 10 0 "[ . 1 .]"
1 26 GLN 2.561 0.141 3 0 "[ . 1 .]"
1 27 CYS 0.091 0.040 11 0 "[ . 1 .]"
1 28 CYS 0.875 0.064 1 0 "[ . 1 .]"
1 29 ASP 1.141 0.141 3 0 "[ . 1 .]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 31 VAL 0.476 0.064 1 0 "[ . 1 .]"
1 32 LYS 1.107 0.087 13 0 "[ . 1 .]"
1 33 ASN 0.898 0.087 13 0 "[ . 1 .]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 36 ASN 0.548 0.076 9 0 "[ . 1 .]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 39 ARG 1.636 0.566 15 1 "[ . 1 +]"
1 40 SER 3.582 0.566 15 2 "[ . 1 -+]"
1 41 GLN 0.044 0.044 4 0 "[ . 1 .]"
1 42 SER 0.036 0.024 14 0 "[ . 1 .]"
1 43 ASP 2.810 0.509 14 1 "[ . 1 +.]"
1 44 ARG 14.547 1.683 5 11 "[*-**+ **** ** .]"
1 45 GLN 0.700 0.162 11 0 "[ . 1 .]"
1 46 SER 1.555 0.130 14 0 "[ . 1 .]"
1 47 ALA 0.065 0.022 13 0 "[ . 1 .]"
1 48 CYS 0.285 0.162 11 0 "[ . 1 .]"
1 49 ASN 0.415 0.129 13 0 "[ . 1 .]"
1 50 CYS 1.988 0.363 15 0 "[ . 1 .]"
1 51 LEU 0.302 0.129 13 0 "[ . 1 .]"
1 52 LYS 0.126 0.040 10 0 "[ . 1 .]"
1 53 GLY 0.063 0.026 12 0 "[ . 1 .]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 55 ALA 0.197 0.053 3 0 "[ . 1 .]"
1 56 ARG 0.033 0.033 4 0 "[ . 1 .]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 58 ILE 0.181 0.053 3 0 "[ . 1 .]"
1 59 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 61 LEU 0.604 0.217 9 0 "[ . 1 .]"
1 62 ASN 0.127 0.048 9 0 "[ . 1 .]"
1 63 GLU 0.059 0.019 12 0 "[ . 1 .]"
1 64 ASP 0.441 0.280 13 0 "[ . 1 .]"
1 65 ASN 0.330 0.045 11 0 "[ . 1 .]"
1 66 ALA 0.058 0.058 13 0 "[ . 1 .]"
1 67 ARG 0.938 0.383 13 0 "[ . 1 .]"
1 68 SER 0.369 0.167 13 0 "[ . 1 .]"
1 69 ILE 0.275 0.045 11 0 "[ . 1 .]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 72 LYS 0.520 0.366 1 0 "[ . 1 .]"
1 73 CYS 0.118 0.049 1 0 "[ . 1 .]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 75 VAL 2.681 0.356 7 0 "[ . 1 .]"
1 76 ASN 1.737 0.356 7 0 "[ . 1 .]"
1 77 LEU 0.985 0.060 5 0 "[ . 1 .]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 79 TYR 1.550 0.116 11 0 "[ . 1 .]"
1 80 THR 0.062 0.041 14 0 "[ . 1 .]"
1 81 ILE 0.273 0.147 3 0 "[ . 1 .]"
1 82 SER 0.041 0.030 10 0 "[ . 1 .]"
1 83 LEU 0.138 0.038 4 0 "[ . 1 .]"
1 84 ASN 0.104 0.038 4 0 "[ . 1 .]"
1 85 ILE 0.209 0.064 5 0 "[ . 1 .]"
1 86 ASP 0.654 0.072 9 0 "[ . 1 .]"
1 87 CYS 0.516 0.116 11 0 "[ . 1 .]"
1 88 SER 0.440 0.059 8 0 "[ . 1 .]"
1 89 ARG 0.064 0.037 14 0 "[ . 1 .]"
1 90 VAL 13.654 1.683 5 11 "[*-**+ **** ** .]"
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 ILE HA 1 2 ASP H . . 3.600 2.536 2.199 3.626 0.026 14 0 "[ . 1 .]" 1
2 1 1 ILE HB 1 2 ASP H . . 6.000 3.987 2.173 4.538 . 0 0 "[ . 1 .]" 1
3 1 1 ILE MD 1 47 ALA H . . 6.000 4.817 4.140 5.115 . 0 0 "[ . 1 .]" 1
4 1 1 ILE HG12 1 2 ASP H . . 6.000 4.362 2.086 5.853 . 0 0 "[ . 1 .]" 1
5 1 1 ILE HG13 1 2 ASP H . . 6.000 4.322 2.501 5.390 . 0 0 "[ . 1 .]" 1
6 1 1 ILE MG 1 2 ASP H . . 7.000 3.295 2.223 4.047 . 0 0 "[ . 1 .]" 1
7 1 1 ILE MG 1 3 CYS H . . 7.000 4.046 1.909 5.204 . 0 0 "[ . 1 .]" 1
8 1 1 ILE MG 1 47 ALA H . . 6.000 3.955 3.315 4.754 . 0 0 "[ . 1 .]" 1
9 1 1 ILE MG 1 47 ALA MB . . 5.800 3.907 3.401 4.066 . 0 0 "[ . 1 .]" 1
10 1 2 ASP HA 1 3 CYS H . . 3.500 2.615 2.177 3.521 0.021 13 0 "[ . 1 .]" 1
11 1 2 ASP HA 1 4 GLY H . . 6.000 4.575 3.770 5.315 . 0 0 "[ . 1 .]" 1
12 1 2 ASP QB 1 4 GLY H . . 6.880 3.628 2.656 4.816 . 0 0 "[ . 1 .]" 1
13 1 3 CYS CB 1 50 CYS SG . . 3.500 2.998 2.960 3.096 . 0 0 "[ . 1 .]" 1
14 1 3 CYS H 1 4 GLY H . . 5.000 2.913 2.086 3.715 . 0 0 "[ . 1 .]" 1
15 1 3 CYS H 1 6 VAL MG2 . . 7.000 4.502 3.742 5.239 . 0 0 "[ . 1 .]" 1
16 1 3 CYS HA 1 6 VAL MG2 . . 6.000 2.866 2.430 3.395 . 0 0 "[ . 1 .]" 1
17 1 3 CYS HB2 1 4 GLY H . . 6.000 4.464 4.008 4.650 . 0 0 "[ . 1 .]" 1
18 1 3 CYS HB3 1 4 GLY H . . 6.000 3.977 3.074 4.394 . 0 0 "[ . 1 .]" 1
19 1 3 CYS SG 1 50 CYS CB . . 3.500 2.986 2.887 3.069 . 0 0 "[ . 1 .]" 1
20 1 3 CYS SG 1 50 CYS SG . . 2.100 2.019 2.015 2.022 . 0 0 "[ . 1 .]" 1
21 1 4 GLY H 1 5 HIS H . . 4.000 2.411 1.980 2.884 . 0 0 "[ . 1 .]" 1
22 1 4 GLY H 1 6 VAL H . . 6.000 3.549 2.997 4.179 . 0 0 "[ . 1 .]" 1
23 1 4 GLY H 1 6 VAL MG2 . . 7.000 4.036 3.367 4.745 . 0 0 "[ . 1 .]" 1
24 1 4 GLY H 1 7 ASP QB . . 6.880 4.980 4.732 5.441 . 0 0 "[ . 1 .]" 1
25 1 4 GLY QA 1 7 ASP HB2 . . 6.000 3.930 2.987 4.925 . 0 0 "[ . 1 .]" 1
26 1 4 GLY QA 1 7 ASP HB3 . . 6.000 4.304 3.272 5.375 . 0 0 "[ . 1 .]" 1
27 1 5 HIS H 1 5 HIS HD2 . . 6.000 5.193 4.915 5.633 . 0 0 "[ . 1 .]" 1
28 1 5 HIS H 1 6 VAL H . . 4.200 2.225 2.013 2.498 . 0 0 "[ . 1 .]" 1
29 1 5 HIS HA 1 8 SER H . . 4.400 3.678 3.471 3.816 . 0 0 "[ . 1 .]" 1
30 1 5 HIS HA 1 8 SER QB . . 6.000 3.777 3.387 4.451 . 0 0 "[ . 1 .]" 1
31 1 5 HIS HA 1 9 LEU H . . 6.000 4.818 4.687 4.924 . 0 0 "[ . 1 .]" 1
32 1 5 HIS QB 1 6 VAL H . . 5.880 2.676 2.452 2.813 . 0 0 "[ . 1 .]" 1
33 1 5 HIS QB 1 9 LEU HG . . 5.880 4.628 4.107 5.169 . 0 0 "[ . 1 .]" 1
34 1 5 HIS HD2 1 6 VAL H . . 6.000 5.163 3.887 6.058 0.058 2 0 "[ . 1 .]" 1
35 1 5 HIS HD2 1 9 LEU QD . . 7.570 3.410 2.152 4.849 . 0 0 "[ . 1 .]" 1
36 1 5 HIS HE1 1 9 LEU MD1 . . 6.000 3.147 2.324 4.202 . 0 0 "[ . 1 .]" 1
37 1 5 HIS HE1 1 9 LEU MD2 . . 6.000 3.021 2.153 4.222 . 0 0 "[ . 1 .]" 1
38 1 5 HIS HE1 1 9 LEU HG . . 6.000 3.810 2.512 4.691 . 0 0 "[ . 1 .]" 1
39 1 5 HIS O 1 9 LEU H . . 2.500 2.482 2.402 2.521 0.021 3 0 "[ . 1 .]" 1
40 1 5 HIS O 1 9 LEU N . . 3.500 3.278 3.160 3.345 . 0 0 "[ . 1 .]" 1
41 1 6 VAL H 1 6 VAL MG2 . . 3.100 1.999 1.819 2.246 . 0 0 "[ . 1 .]" 1
42 1 6 VAL H 1 7 ASP H . . 3.700 2.723 2.634 2.794 . 0 0 "[ . 1 .]" 1
43 1 6 VAL HA 1 6 VAL MG1 . . 3.200 2.272 2.133 2.543 . 0 0 "[ . 1 .]" 1
44 1 6 VAL HA 1 6 VAL MG2 . . 2.900 2.429 2.289 2.499 . 0 0 "[ . 1 .]" 1
45 1 6 VAL HA 1 9 LEU H . . 3.900 3.187 3.014 3.398 . 0 0 "[ . 1 .]" 1
46 1 6 VAL HA 1 9 LEU HB2 . . 3.900 2.202 2.073 2.336 . 0 0 "[ . 1 .]" 1
47 1 6 VAL HA 1 9 LEU QD . . 5.970 2.089 1.917 2.506 . 0 0 "[ . 1 .]" 1
48 1 6 VAL HA 1 34 LEU QD . . 7.400 2.509 2.138 3.153 . 0 0 "[ . 1 .]" 1
49 1 6 VAL HB 1 7 ASP H . . 5.000 2.700 2.584 2.835 . 0 0 "[ . 1 .]" 1
50 1 6 VAL HB 1 50 CYS HB2 . . 6.000 3.941 3.608 4.401 . 0 0 "[ . 1 .]" 1
51 1 6 VAL MG1 1 7 ASP H . . 6.000 3.550 3.264 3.790 . 0 0 "[ . 1 .]" 1
52 1 6 VAL MG1 1 47 ALA H . . 7.000 3.985 3.805 4.161 . 0 0 "[ . 1 .]" 1
53 1 6 VAL MG1 1 51 LEU H . . 7.000 4.278 3.836 4.789 . 0 0 "[ . 1 .]" 1
54 1 6 VAL MG2 1 7 ASP H . . 6.000 3.789 3.629 3.972 . 0 0 "[ . 1 .]" 1
55 1 6 VAL MG2 1 47 ALA H . . 7.000 3.558 3.158 3.774 . 0 0 "[ . 1 .]" 1
56 1 6 VAL MG2 1 47 ALA HA . . 3.500 2.701 2.391 2.929 . 0 0 "[ . 1 .]" 1
57 1 6 VAL MG2 1 47 ALA MB . . 7.000 2.495 2.185 2.775 . 0 0 "[ . 1 .]" 1
58 1 6 VAL MG2 1 50 CYS HB3 . . 6.000 5.044 4.677 5.264 . 0 0 "[ . 1 .]" 1
59 1 6 VAL O 1 10 VAL H . . 2.500 1.990 1.842 2.141 . 0 0 "[ . 1 .]" 1
60 1 6 VAL O 1 10 VAL N . . 3.500 2.924 2.767 3.090 . 0 0 "[ . 1 .]" 1
61 1 7 ASP H 1 8 SER H . . 3.600 2.907 2.731 3.052 . 0 0 "[ . 1 .]" 1
62 1 7 ASP H 1 9 LEU H . . 6.000 3.985 3.896 4.098 . 0 0 "[ . 1 .]" 1
63 1 7 ASP HA 1 10 VAL H . . 3.900 3.738 3.531 3.916 0.016 4 0 "[ . 1 .]" 1
64 1 7 ASP HA 1 10 VAL MG2 . . 6.000 2.528 2.152 3.785 . 0 0 "[ . 1 .]" 1
65 1 7 ASP HB2 1 8 SER H . . 5.000 3.349 2.326 3.966 . 0 0 "[ . 1 .]" 1
66 1 7 ASP HB2 1 8 SER QB . . 6.000 5.039 4.080 5.461 . 0 0 "[ . 1 .]" 1
67 1 7 ASP HB3 1 8 SER H . . 5.000 2.565 2.075 3.069 . 0 0 "[ . 1 .]" 1
68 1 7 ASP HB3 1 8 SER QB . . 6.000 4.021 3.676 4.559 . 0 0 "[ . 1 .]" 1
69 1 7 ASP O 1 11 ARG H . . 2.500 2.237 1.776 2.473 . 0 0 "[ . 1 .]" 1
70 1 7 ASP O 1 11 ARG N . . 3.500 2.967 2.694 3.233 . 0 0 "[ . 1 .]" 1
71 1 8 SER H 1 9 LEU H . . 5.000 2.688 2.533 2.903 . 0 0 "[ . 1 .]" 1
72 1 8 SER HA 1 11 ARG H . . 3.900 3.446 3.342 3.742 . 0 0 "[ . 1 .]" 1
73 1 8 SER HA 1 11 ARG HB3 . . 3.500 3.383 2.842 4.195 0.695 10 2 "[ - + .]" 1
74 1 8 SER QB 1 11 ARG H . . 7.000 5.026 4.831 5.291 . 0 0 "[ . 1 .]" 1
75 1 9 LEU H 1 9 LEU HB2 . . 3.200 2.107 2.044 2.168 . 0 0 "[ . 1 .]" 1
76 1 9 LEU H 1 9 LEU HB3 . . 4.000 3.361 3.335 3.375 . 0 0 "[ . 1 .]" 1
77 1 9 LEU H 1 9 LEU HG . . 2.800 2.544 2.337 2.676 . 0 0 "[ . 1 .]" 1
78 1 9 LEU H 1 10 VAL H . . 5.000 2.483 2.319 2.651 . 0 0 "[ . 1 .]" 1
79 1 9 LEU H 1 10 VAL MG1 . . 7.000 4.239 3.694 5.855 . 0 0 "[ . 1 .]" 1
80 1 9 LEU H 1 11 ARG H . . 4.600 3.732 3.632 3.825 . 0 0 "[ . 1 .]" 1
81 1 9 LEU HB2 1 10 VAL H . . 3.600 2.698 2.562 2.873 . 0 0 "[ . 1 .]" 1
82 1 9 LEU HB3 1 10 VAL H . . 4.600 3.444 3.272 3.604 . 0 0 "[ . 1 .]" 1
83 1 9 LEU HB3 1 34 LEU H . . 6.000 4.505 4.308 4.648 . 0 0 "[ . 1 .]" 1
84 1 9 LEU QD 1 10 VAL H . . 8.570 4.148 4.029 4.219 . 0 0 "[ . 1 .]" 1
85 1 9 LEU QD 1 11 ARG H . . 8.570 5.249 5.011 5.428 . 0 0 "[ . 1 .]" 1
86 1 9 LEU QD 1 33 ASN QB . . 4.670 3.129 3.007 3.218 . 0 0 "[ . 1 .]" 1
87 1 9 LEU QD 1 33 ASN QD . . 7.520 4.388 4.076 4.615 . 0 0 "[ . 1 .]" 1
88 1 9 LEU QD 1 34 LEU HA . . 5.170 3.220 2.725 3.571 . 0 0 "[ . 1 .]" 1
89 1 9 LEU QD 1 34 LEU QB . . 9.450 1.994 1.828 2.220 . 0 0 "[ . 1 .]" 1
90 1 9 LEU QD 1 37 GLN QE . . 9.440 4.469 3.261 6.278 . 0 0 "[ . 1 .]" 1
91 1 9 LEU MD1 1 33 ASN HB2 . . 6.000 4.404 3.813 4.943 . 0 0 "[ . 1 .]" 1
92 1 9 LEU MD1 1 33 ASN HB3 . . 6.000 4.295 3.751 4.917 . 0 0 "[ . 1 .]" 1
93 1 9 LEU MD1 1 33 ASN HD21 . . 9.140 6.061 5.420 6.582 . 0 0 "[ . 1 .]" 1
94 1 9 LEU MD1 1 33 ASN HD22 . . 9.140 7.089 6.562 7.635 . 0 0 "[ . 1 .]" 1
95 1 9 LEU MD1 1 34 LEU H . . 6.000 3.519 3.012 3.863 . 0 0 "[ . 1 .]" 1
96 1 9 LEU MD2 1 33 ASN HB2 . . 6.000 3.584 3.266 4.015 . 0 0 "[ . 1 .]" 1
97 1 9 LEU MD2 1 33 ASN HB3 . . 6.000 4.084 3.746 4.647 . 0 0 "[ . 1 .]" 1
98 1 9 LEU MD2 1 33 ASN HD21 . . 9.140 4.764 4.315 5.104 . 0 0 "[ . 1 .]" 1
99 1 9 LEU MD2 1 33 ASN HD22 . . 9.140 5.919 5.672 6.299 . 0 0 "[ . 1 .]" 1
100 1 9 LEU MD2 1 34 LEU H . . 6.000 3.589 2.934 4.221 . 0 0 "[ . 1 .]" 1
101 1 9 LEU HG 1 10 VAL H . . 6.000 4.568 4.455 4.706 . 0 0 "[ . 1 .]" 1
102 1 10 VAL H 1 10 VAL MG1 . . 4.100 2.482 2.038 3.682 . 0 0 "[ . 1 .]" 1
103 1 10 VAL H 1 10 VAL MG2 . . 2.900 1.969 1.866 2.100 . 0 0 "[ . 1 .]" 1
104 1 10 VAL H 1 11 ARG H . . 3.300 2.359 2.204 2.496 . 0 0 "[ . 1 .]" 1
105 1 10 VAL H 1 11 ARG HB3 . . 6.000 5.447 4.882 5.868 . 0 0 "[ . 1 .]" 1
106 1 10 VAL H 1 12 PRO QD . . 6.880 3.457 3.183 3.697 . 0 0 "[ . 1 .]" 1
107 1 10 VAL H 1 14 LEU QD . . 8.570 5.479 4.586 6.348 . 0 0 "[ . 1 .]" 1
108 1 10 VAL HA 1 10 VAL MG1 . . 3.100 2.344 2.136 2.481 . 0 0 "[ . 1 .]" 1
109 1 10 VAL HB 1 11 ARG HD2 . . 6.000 5.757 4.876 6.039 0.039 8 0 "[ . 1 .]" 1
110 1 10 VAL HB 1 11 ARG HD3 . . 6.000 5.635 4.598 6.064 0.064 10 0 "[ . 1 .]" 1
111 1 10 VAL HB 1 13 CYS H . . 5.000 5.009 4.933 5.056 0.056 1 0 "[ . 1 .]" 1
112 1 10 VAL HB 1 50 CYS HB3 . . 5.000 5.056 4.654 5.363 0.363 15 0 "[ . 1 .]" 1
113 1 10 VAL HB 1 51 LEU QD . . 8.570 2.596 1.827 4.444 . 0 0 "[ . 1 .]" 1
114 1 10 VAL MG1 1 11 ARG H . . 6.000 3.998 3.784 4.193 . 0 0 "[ . 1 .]" 1
115 1 10 VAL MG2 1 11 ARG H . . 6.000 2.773 2.364 3.749 . 0 0 "[ . 1 .]" 1
116 1 11 ARG H 1 11 ARG HB2 . . 3.500 2.153 2.077 2.407 . 0 0 "[ . 1 .]" 1
117 1 11 ARG H 1 11 ARG HD2 . . 6.000 4.169 3.650 4.798 . 0 0 "[ . 1 .]" 1
118 1 11 ARG H 1 11 ARG HD3 . . 6.000 3.567 2.731 4.444 . 0 0 "[ . 1 .]" 1
119 1 11 ARG H 1 12 PRO QB . . 6.850 5.272 5.001 5.394 . 0 0 "[ . 1 .]" 1
120 1 11 ARG H 1 12 PRO HD2 . . 3.400 2.154 2.083 2.225 . 0 0 "[ . 1 .]" 1
121 1 11 ARG H 1 12 PRO QD . . 3.180 2.118 2.064 2.199 . 0 0 "[ . 1 .]" 1
122 1 11 ARG H 1 12 PRO HD3 . . 3.400 3.226 2.553 3.436 0.036 4 0 "[ . 1 .]" 1
123 1 11 ARG H 1 13 CYS H . . 6.000 4.430 4.325 4.514 . 0 0 "[ . 1 .]" 1
124 1 11 ARG HA 1 13 CYS H . . 4.300 4.243 4.077 4.329 0.029 9 0 "[ . 1 .]" 1
125 1 11 ARG HA 1 14 LEU H . . 4.200 3.552 3.368 3.788 . 0 0 "[ . 1 .]" 1
126 1 11 ARG HA 1 14 LEU HB2 . . 5.000 3.193 2.663 3.700 . 0 0 "[ . 1 .]" 1
127 1 11 ARG HA 1 14 LEU HB3 . . 5.000 4.400 2.585 5.049 0.049 8 0 "[ . 1 .]" 1
128 1 11 ARG HA 1 14 LEU QD . . 5.770 2.349 1.905 3.119 . 0 0 "[ . 1 .]" 1
129 1 11 ARG QD 1 14 LEU QD . . 8.450 2.440 1.852 3.092 . 0 0 "[ . 1 .]" 1
130 1 11 ARG QG 1 12 PRO QD . . 7.880 3.955 3.581 4.192 . 0 0 "[ . 1 .]" 1
131 1 12 PRO QB 1 27 CYS H . . 4.580 3.044 2.584 3.354 . 0 0 "[ . 1 .]" 1
132 1 12 PRO QB 1 27 CYS QB . . 5.450 2.783 2.478 3.123 . 0 0 "[ . 1 .]" 1
133 1 12 PRO HB2 1 27 CYS H . . 5.000 3.100 2.629 3.436 . 0 0 "[ . 1 .]" 1
134 1 12 PRO HB2 1 27 CYS HA . . 5.000 3.115 2.545 3.755 . 0 0 "[ . 1 .]" 1
135 1 12 PRO HB2 1 27 CYS HB2 . . 7.750 2.853 2.530 3.218 . 0 0 "[ . 1 .]" 1
136 1 12 PRO HB2 1 27 CYS HB3 . . 7.750 4.276 3.866 4.666 . 0 0 "[ . 1 .]" 1
137 1 12 PRO HB3 1 27 CYS H . . 5.000 4.443 3.801 4.813 . 0 0 "[ . 1 .]" 1
138 1 12 PRO HB3 1 27 CYS HA . . 5.000 4.503 4.068 4.817 . 0 0 "[ . 1 .]" 1
139 1 12 PRO HB3 1 27 CYS HB2 . . 7.750 4.579 4.244 4.981 . 0 0 "[ . 1 .]" 1
140 1 12 PRO HB3 1 27 CYS HB3 . . 7.750 5.974 5.519 6.416 . 0 0 "[ . 1 .]" 1
141 1 12 PRO QD 1 13 CYS H . . 4.310 3.167 2.697 3.304 . 0 0 "[ . 1 .]" 1
142 1 12 PRO QD 1 27 CYS HA . . 6.880 4.504 3.975 4.798 . 0 0 "[ . 1 .]" 1
143 1 12 PRO HD2 1 13 CYS H . . 5.000 3.265 2.741 3.421 . 0 0 "[ . 1 .]" 1
144 1 12 PRO HD3 1 13 CYS H . . 5.000 4.288 4.009 4.376 . 0 0 "[ . 1 .]" 1
145 1 12 PRO QG 1 13 CYS H . . 4.680 2.556 2.411 2.695 . 0 0 "[ . 1 .]" 1
146 1 12 PRO HG2 1 13 CYS H . . 5.000 2.579 2.428 2.723 . 0 0 "[ . 1 .]" 1
147 1 12 PRO HG3 1 13 CYS H . . 5.000 4.183 4.077 4.311 . 0 0 "[ . 1 .]" 1
148 1 13 CYS CB 1 27 CYS SG . . 3.500 3.069 3.033 3.091 . 0 0 "[ . 1 .]" 1
149 1 13 CYS H 1 13 CYS HB2 . . 3.100 2.201 2.041 2.340 . 0 0 "[ . 1 .]" 1
150 1 13 CYS H 1 13 CYS HB3 . . 3.900 3.283 3.169 3.327 . 0 0 "[ . 1 .]" 1
151 1 13 CYS H 1 14 LEU H . . 3.200 2.448 2.332 2.569 . 0 0 "[ . 1 .]" 1
152 1 13 CYS H 1 14 LEU HA . . 6.000 5.041 4.970 5.116 . 0 0 "[ . 1 .]" 1
153 1 13 CYS H 1 14 LEU MD1 . . 7.000 4.484 3.250 5.832 . 0 0 "[ . 1 .]" 1
154 1 13 CYS H 1 14 LEU MD2 . . 7.000 5.630 4.406 5.925 . 0 0 "[ . 1 .]" 1
155 1 13 CYS H 1 31 VAL MG1 . . 7.000 5.744 5.624 5.891 . 0 0 "[ . 1 .]" 1
156 1 13 CYS H 1 31 VAL MG2 . . 7.000 3.812 3.660 4.004 . 0 0 "[ . 1 .]" 1
157 1 13 CYS H 1 77 LEU QD . . 8.570 6.522 6.471 6.608 . 0 0 "[ . 1 .]" 1
158 1 13 CYS HA 1 16 TYR H . . 5.000 3.834 3.650 3.974 . 0 0 "[ . 1 .]" 1
159 1 13 CYS HA 1 16 TYR HB2 . . 6.000 4.536 4.299 4.848 . 0 0 "[ . 1 .]" 1
160 1 13 CYS HA 1 17 VAL H . . 6.000 4.859 4.726 4.978 . 0 0 "[ . 1 .]" 1
161 1 13 CYS HA 1 24 SER H . . 6.000 4.603 4.461 4.735 . 0 0 "[ . 1 .]" 1
162 1 13 CYS HA 1 27 CYS H . . 6.000 5.276 4.992 5.791 . 0 0 "[ . 1 .]" 1
163 1 13 CYS HA 1 27 CYS QB . . 5.280 2.761 2.475 3.393 . 0 0 "[ . 1 .]" 1
164 1 13 CYS HB2 1 14 LEU H . . 5.000 3.116 2.667 3.756 . 0 0 "[ . 1 .]" 1
165 1 13 CYS HB3 1 69 ILE MD . . 3.600 1.853 1.808 1.895 . 0 0 "[ . 1 .]" 1
166 1 13 CYS O 1 17 VAL H . . 2.500 2.464 2.404 2.505 0.005 8 0 "[ . 1 .]" 1
167 1 13 CYS O 1 17 VAL N . . 3.500 3.438 3.378 3.481 . 0 0 "[ . 1 .]" 1
168 1 13 CYS SG 1 27 CYS CB . . 3.500 3.035 2.995 3.134 . 0 0 "[ . 1 .]" 1
169 1 13 CYS SG 1 27 CYS SG . . 2.100 2.022 2.020 2.023 . 0 0 "[ . 1 .]" 1
170 1 14 LEU H 1 14 LEU HG . . 5.000 3.621 2.156 4.455 . 0 0 "[ . 1 .]" 1
171 1 14 LEU H 1 15 SER H . . 5.000 2.625 2.438 2.720 . 0 0 "[ . 1 .]" 1
172 1 14 LEU HA 1 17 VAL H . . 3.600 3.135 2.971 3.282 . 0 0 "[ . 1 .]" 1
173 1 14 LEU HA 1 17 VAL HB . . 5.000 2.488 2.234 2.704 . 0 0 "[ . 1 .]" 1
174 1 14 LEU HA 1 17 VAL MG1 . . 6.000 3.888 3.685 4.040 . 0 0 "[ . 1 .]" 1
175 1 14 LEU HA 1 17 VAL MG2 . . 2.800 2.305 2.099 2.422 . 0 0 "[ . 1 .]" 1
176 1 14 LEU HB2 1 15 SER H . . 6.000 3.060 2.657 3.963 . 0 0 "[ . 1 .]" 1
177 1 14 LEU QD 1 17 VAL H . . 8.570 4.730 4.241 5.037 . 0 0 "[ . 1 .]" 1
178 1 14 LEU QD 1 51 LEU H . . 8.570 5.930 4.949 6.411 . 0 0 "[ . 1 .]" 1
179 1 14 LEU QD 1 80 THR HA . . 8.570 5.970 5.313 6.489 . 0 0 "[ . 1 .]" 1
180 1 14 LEU O 1 18 GLN H . . 2.500 2.110 1.848 2.253 . 0 0 "[ . 1 .]" 1
181 1 14 LEU O 1 18 GLN N . . 3.500 3.009 2.773 3.157 . 0 0 "[ . 1 .]" 1
182 1 15 SER H 1 16 TYR H . . 3.900 2.786 2.748 2.838 . 0 0 "[ . 1 .]" 1
183 1 15 SER H 1 17 VAL H . . 5.000 4.314 4.217 4.426 . 0 0 "[ . 1 .]" 1
184 1 15 SER HA 1 18 GLN H . . 4.000 4.001 3.917 4.054 0.054 8 0 "[ . 1 .]" 1
185 1 15 SER HA 1 18 GLN HB2 . . 5.000 5.070 4.893 5.218 0.218 5 0 "[ . 1 .]" 1
186 1 15 SER HA 1 18 GLN HE21 . . 6.000 3.490 1.986 4.773 . 0 0 "[ . 1 .]" 1
187 1 15 SER HA 1 18 GLN HE22 . . 6.000 3.567 2.175 4.911 . 0 0 "[ . 1 .]" 1
188 1 15 SER HA 1 18 GLN HG2 . . 5.000 2.857 2.331 3.711 . 0 0 "[ . 1 .]" 1
189 1 15 SER HA 1 18 GLN HG3 . . 5.000 4.156 3.650 5.008 0.008 3 0 "[ . 1 .]" 1
190 1 15 SER QB 1 16 TYR H . . 4.520 3.032 2.788 3.577 . 0 0 "[ . 1 .]" 1
191 1 15 SER HB2 1 16 TYR H . . 4.700 3.497 2.871 4.083 . 0 0 "[ . 1 .]" 1
192 1 15 SER HB3 1 16 TYR H . . 4.700 3.691 2.845 4.212 . 0 0 "[ . 1 .]" 1
193 1 16 TYR CG 1 17 VAL H . . 8.000 3.768 3.643 3.854 . 0 0 "[ . 1 .]" 1
194 1 16 TYR CG 1 20 GLY H . . 8.000 5.131 4.841 5.430 . 0 0 "[ . 1 .]" 1
195 1 16 TYR CG 1 22 GLY H . . 7.000 5.040 4.805 5.299 . 0 0 "[ . 1 .]" 1
196 1 16 TYR CG 1 22 GLY QA . . 7.880 4.388 4.199 4.647 . 0 0 "[ . 1 .]" 1
197 1 16 TYR CG 1 23 PRO QB . . 7.880 3.924 3.658 4.169 . 0 0 "[ . 1 .]" 1
198 1 16 TYR CG 1 23 PRO QG . . 7.880 4.715 4.504 4.953 . 0 0 "[ . 1 .]" 1
199 1 16 TYR CG 1 69 ILE HA . . 7.000 5.483 4.991 5.846 . 0 0 "[ . 1 .]" 1
200 1 16 TYR CG 1 69 ILE MD . . 8.000 4.269 3.667 4.754 . 0 0 "[ . 1 .]" 1
201 1 16 TYR CG 1 69 ILE HG12 . . 7.000 4.087 3.257 4.290 . 0 0 "[ . 1 .]" 1
202 1 16 TYR CG 1 69 ILE HG13 . . 7.000 4.236 3.934 4.423 . 0 0 "[ . 1 .]" 1
203 1 16 TYR CG 1 69 ILE MG . . 8.000 5.653 4.754 5.948 . 0 0 "[ . 1 .]" 1
204 1 16 TYR CZ 1 17 VAL HA . . 8.000 5.594 5.266 5.975 . 0 0 "[ . 1 .]" 1
205 1 16 TYR CZ 1 22 GLY H . . 7.000 6.214 5.645 6.826 . 0 0 "[ . 1 .]" 1
206 1 16 TYR CZ 1 23 PRO QB . . 8.880 6.125 5.687 6.355 . 0 0 "[ . 1 .]" 1
207 1 16 TYR CZ 1 23 PRO QD . . 7.380 4.490 3.898 4.969 . 0 0 "[ . 1 .]" 1
208 1 16 TYR CZ 1 23 PRO QG . . 7.880 6.147 5.585 6.462 . 0 0 "[ . 1 .]" 1
209 1 16 TYR CZ 1 65 ASN H . . 8.000 5.573 5.151 6.448 . 0 0 "[ . 1 .]" 1
210 1 16 TYR CZ 1 65 ASN HA . . 6.900 3.078 2.697 3.808 . 0 0 "[ . 1 .]" 1
211 1 16 TYR CZ 1 65 ASN QB . . 8.880 3.243 2.970 3.902 . 0 0 "[ . 1 .]" 1
212 1 16 TYR CZ 1 66 ALA HA . . 7.000 6.747 6.565 7.058 0.058 13 0 "[ . 1 .]" 1
213 1 16 TYR CZ 1 68 SER H . . 7.000 5.402 5.108 5.914 . 0 0 "[ . 1 .]" 1
214 1 16 TYR CZ 1 68 SER HB2 . . 7.000 3.687 3.145 4.715 . 0 0 "[ . 1 .]" 1
215 1 16 TYR CZ 1 68 SER HB3 . . 7.000 3.737 3.189 4.225 . 0 0 "[ . 1 .]" 1
216 1 16 TYR CZ 1 69 ILE H . . 7.000 5.791 5.323 6.195 . 0 0 "[ . 1 .]" 1
217 1 16 TYR CZ 1 69 ILE HA . . 6.200 5.588 4.697 5.860 . 0 0 "[ . 1 .]" 1
218 1 16 TYR CZ 1 69 ILE HB . . 8.000 7.194 6.608 7.560 . 0 0 "[ . 1 .]" 1
219 1 16 TYR CZ 1 69 ILE MD . . 8.000 5.612 5.085 6.053 . 0 0 "[ . 1 .]" 1
220 1 16 TYR CZ 1 69 ILE QG . . 5.980 4.508 3.894 4.821 . 0 0 "[ . 1 .]" 1
221 1 16 TYR CZ 1 69 ILE MG . . 8.000 6.593 5.611 6.759 . 0 0 "[ . 1 .]" 1
222 1 16 TYR H 1 16 TYR HB2 . . 3.400 2.795 2.692 2.931 . 0 0 "[ . 1 .]" 1
223 1 16 TYR H 1 16 TYR HB3 . . 3.200 2.374 2.201 2.449 . 0 0 "[ . 1 .]" 1
224 1 16 TYR H 1 17 VAL H . . 3.500 2.158 2.089 2.316 . 0 0 "[ . 1 .]" 1
225 1 16 TYR H 1 17 VAL HA . . 6.000 4.916 4.861 5.044 . 0 0 "[ . 1 .]" 1
226 1 16 TYR H 1 17 VAL MG2 . . 7.000 3.364 3.190 3.509 . 0 0 "[ . 1 .]" 1
227 1 16 TYR H 1 18 GLN H . . 6.000 3.811 3.728 3.976 . 0 0 "[ . 1 .]" 1
228 1 16 TYR H 1 20 GLY H . . 6.000 5.379 5.015 5.659 . 0 0 "[ . 1 .]" 1
229 1 16 TYR HB2 1 17 VAL H . . 5.000 3.682 3.656 3.703 . 0 0 "[ . 1 .]" 1
230 1 16 TYR HB2 1 22 GLY H . . 6.000 4.297 4.254 4.379 . 0 0 "[ . 1 .]" 1
231 1 16 TYR HB2 1 22 GLY QA . . 4.680 2.704 2.553 2.895 . 0 0 "[ . 1 .]" 1
232 1 16 TYR HB2 1 24 SER H . . 6.000 4.955 4.839 5.187 . 0 0 "[ . 1 .]" 1
233 1 16 TYR HB3 1 17 VAL H . . 3.600 2.374 2.346 2.404 . 0 0 "[ . 1 .]" 1
234 1 16 TYR HB3 1 23 PRO HA . . 5.000 3.190 3.069 3.355 . 0 0 "[ . 1 .]" 1
235 1 16 TYR HB3 1 24 SER H . . 6.000 5.844 5.727 5.994 . 0 0 "[ . 1 .]" 1
236 1 17 VAL H 1 17 VAL MG2 . . 3.400 1.869 1.781 1.940 . 0 0 "[ . 1 .]" 1
237 1 17 VAL H 1 18 GLN H . . 3.500 2.945 2.897 2.984 . 0 0 "[ . 1 .]" 1
238 1 17 VAL H 1 19 GLY H . . 6.000 4.278 4.182 4.409 . 0 0 "[ . 1 .]" 1
239 1 17 VAL HA 1 17 VAL MG2 . . 3.500 2.353 2.291 2.411 . 0 0 "[ . 1 .]" 1
240 1 17 VAL HA 1 19 GLY H . . 5.000 3.848 3.705 3.939 . 0 0 "[ . 1 .]" 1
241 1 17 VAL HA 1 62 ASN H . . 6.000 4.283 3.919 4.509 . 0 0 "[ . 1 .]" 1
242 1 17 VAL HA 1 62 ASN HB3 . . 6.000 3.157 2.923 3.475 . 0 0 "[ . 1 .]" 1
243 1 17 VAL HA 1 65 ASN QD . . 5.870 3.279 3.004 3.480 . 0 0 "[ . 1 .]" 1
244 1 17 VAL HA 1 66 ALA H . . 4.800 2.997 2.613 3.238 . 0 0 "[ . 1 .]" 1
245 1 17 VAL HB 1 62 ASN H . . 5.000 4.601 4.376 4.789 . 0 0 "[ . 1 .]" 1
246 1 17 VAL HB 1 66 ALA MB . . 6.000 4.194 4.030 4.388 . 0 0 "[ . 1 .]" 1
247 1 17 VAL MG1 1 18 GLN H . . 6.000 3.764 3.680 3.844 . 0 0 "[ . 1 .]" 1
248 1 17 VAL MG1 1 62 ASN H . . 6.000 2.272 1.967 2.458 . 0 0 "[ . 1 .]" 1
249 1 17 VAL MG1 1 66 ALA H . . 6.000 2.373 2.125 2.576 . 0 0 "[ . 1 .]" 1
250 1 17 VAL MG1 1 66 ALA HA . . 3.700 3.031 2.787 3.142 . 0 0 "[ . 1 .]" 1
251 1 17 VAL MG1 1 66 ALA MB . . 7.000 1.854 1.762 1.983 . 0 0 "[ . 1 .]" 1
252 1 17 VAL MG1 1 67 ARG H . . 7.000 4.612 4.380 4.808 . 0 0 "[ . 1 .]" 1
253 1 17 VAL MG1 1 68 SER H . . 7.000 5.715 5.456 5.875 . 0 0 "[ . 1 .]" 1
254 1 17 VAL MG2 1 18 GLN H . . 6.000 3.831 3.740 3.908 . 0 0 "[ . 1 .]" 1
255 1 17 VAL MG2 1 62 ASN H . . 7.000 4.951 4.647 5.217 . 0 0 "[ . 1 .]" 1
256 1 17 VAL MG2 1 65 ASN H . . 6.000 5.052 4.992 5.092 . 0 0 "[ . 1 .]" 1
257 1 17 VAL MG2 1 66 ALA H . . 6.000 3.049 2.928 3.169 . 0 0 "[ . 1 .]" 1
258 1 17 VAL MG2 1 66 ALA HA . . 2.900 1.886 1.826 1.976 . 0 0 "[ . 1 .]" 1
259 1 17 VAL MG2 1 66 ALA MB . . 7.000 2.585 2.418 2.753 . 0 0 "[ . 1 .]" 1
260 1 17 VAL MG2 1 67 ARG H . . 7.000 4.705 4.587 4.853 . 0 0 "[ . 1 .]" 1
261 1 17 VAL MG2 1 68 SER H . . 7.000 5.101 4.989 5.191 . 0 0 "[ . 1 .]" 1
262 1 18 GLN H 1 18 GLN HB3 . . 3.200 2.398 2.093 2.623 . 0 0 "[ . 1 .]" 1
263 1 18 GLN H 1 18 GLN HG2 . . 5.000 2.146 1.812 2.557 . 0 0 "[ . 1 .]" 1
264 1 18 GLN H 1 18 GLN QG . . 4.820 2.095 1.789 2.517 . 0 0 "[ . 1 .]" 1
265 1 18 GLN H 1 18 GLN HG3 . . 5.000 3.130 2.391 3.750 . 0 0 "[ . 1 .]" 1
266 1 18 GLN H 1 19 GLY H . . 3.900 2.652 2.621 2.695 . 0 0 "[ . 1 .]" 1
267 1 18 GLN H 1 19 GLY HA2 . . 6.000 5.033 4.969 5.075 . 0 0 "[ . 1 .]" 1
268 1 18 GLN H 1 20 GLY H . . 4.100 4.134 4.114 4.146 0.046 1 0 "[ . 1 .]" 1
269 1 18 GLN HB2 1 19 GLY H . . 6.000 3.954 3.819 4.187 . 0 0 "[ . 1 .]" 1
270 1 18 GLN HB2 1 58 ILE MD . . 7.000 5.229 4.474 5.645 . 0 0 "[ . 1 .]" 1
271 1 18 GLN HB2 1 58 ILE MG . . 6.000 4.719 3.981 5.174 . 0 0 "[ . 1 .]" 1
272 1 18 GLN QE 1 58 ILE MD . . 7.870 5.155 4.451 5.876 . 0 0 "[ . 1 .]" 1
273 1 18 GLN QE 1 58 ILE MG . . 7.870 5.322 4.927 5.907 . 0 0 "[ . 1 .]" 1
274 1 18 GLN QG 1 19 GLY HA2 . . 6.880 4.226 3.996 4.402 . 0 0 "[ . 1 .]" 1
275 1 18 GLN HG2 1 19 GLY H . . 6.000 3.004 2.339 3.705 . 0 0 "[ . 1 .]" 1
276 1 18 GLN HG3 1 19 GLY H . . 6.000 2.758 2.195 3.433 . 0 0 "[ . 1 .]" 1
277 1 19 GLY H 1 20 GLY H . . 3.300 2.129 2.023 2.206 . 0 0 "[ . 1 .]" 1
278 1 19 GLY H 1 62 ASN H . . 6.000 5.508 4.734 5.917 . 0 0 "[ . 1 .]" 1
279 1 19 GLY H 1 62 ASN HB2 . . 6.000 4.548 3.957 4.773 . 0 0 "[ . 1 .]" 1
280 1 19 GLY H 1 62 ASN HB3 . . 6.000 4.285 3.913 4.434 . 0 0 "[ . 1 .]" 1
281 1 19 GLY H 1 62 ASN QD . . 5.870 4.885 4.171 5.285 . 0 0 "[ . 1 .]" 1
282 1 19 GLY HA2 1 62 ASN HB2 . . 6.000 4.185 3.624 4.529 . 0 0 "[ . 1 .]" 1
283 1 19 GLY HA2 1 62 ASN HD21 . . 5.000 3.729 2.748 4.216 . 0 0 "[ . 1 .]" 1
284 1 19 GLY HA2 1 62 ASN HD22 . . 5.000 4.557 3.952 4.914 . 0 0 "[ . 1 .]" 1
285 1 19 GLY HA2 1 65 ASN HD21 . . 3.900 2.303 1.970 2.614 . 0 0 "[ . 1 .]" 1
286 1 19 GLY HA2 1 65 ASN QD . . 3.700 2.073 1.858 2.318 . 0 0 "[ . 1 .]" 1
287 1 19 GLY HA2 1 65 ASN HD22 . . 3.900 2.383 2.074 2.594 . 0 0 "[ . 1 .]" 1
288 1 20 GLY H 1 21 PRO QD . . 7.000 4.274 4.226 4.311 . 0 0 "[ . 1 .]" 1
289 1 20 GLY H 1 65 ASN HD21 . . 6.000 4.041 3.313 4.706 . 0 0 "[ . 1 .]" 1
290 1 20 GLY H 1 65 ASN HD22 . . 6.000 4.475 3.958 4.981 . 0 0 "[ . 1 .]" 1
291 1 21 PRO QB 1 22 GLY H . . 4.110 3.278 3.151 3.476 . 0 0 "[ . 1 .]" 1
292 1 21 PRO HB2 1 22 GLY H . . 4.400 3.448 3.295 3.691 . 0 0 "[ . 1 .]" 1
293 1 21 PRO HB3 1 22 GLY H . . 4.400 4.104 4.013 4.245 . 0 0 "[ . 1 .]" 1
294 1 22 GLY H 1 23 PRO HA . . 6.000 4.605 4.560 4.717 . 0 0 "[ . 1 .]" 1
295 1 22 GLY H 1 24 SER H . . 6.000 6.038 6.014 6.072 0.072 11 0 "[ . 1 .]" 1
296 1 22 GLY QA 1 24 SER H . . 4.440 3.781 3.737 3.817 . 0 0 "[ . 1 .]" 1
297 1 22 GLY HA2 1 24 SER H . . 5.000 4.053 3.991 4.085 . 0 0 "[ . 1 .]" 1
298 1 22 GLY HA3 1 24 SER H . . 5.000 4.524 4.433 4.588 . 0 0 "[ . 1 .]" 1
299 1 23 PRO QB 1 28 CYS H . . 5.880 5.265 5.135 5.337 . 0 0 "[ . 1 .]" 1
300 1 23 PRO HD2 1 24 SER H . . 5.000 3.014 2.780 3.551 . 0 0 "[ . 1 .]" 1
301 1 23 PRO HD2 1 24 SER HG . . 6.000 5.632 5.288 6.008 0.008 15 0 "[ . 1 .]" 1
302 1 23 PRO HD3 1 24 SER H . . 5.000 3.976 3.856 4.191 . 0 0 "[ . 1 .]" 1
303 1 23 PRO HD3 1 24 SER HG . . 6.000 6.038 6.018 6.065 0.065 8 0 "[ . 1 .]" 1
304 1 23 PRO QG 1 28 CYS H . . 5.880 4.257 3.994 4.604 . 0 0 "[ . 1 .]" 1
305 1 24 SER H 1 24 SER HG . . 5.000 2.840 2.359 3.010 . 0 0 "[ . 1 .]" 1
306 1 24 SER H 1 26 GLN H . . 5.000 4.416 4.323 4.658 . 0 0 "[ . 1 .]" 1
307 1 24 SER H 1 27 CYS H . . 4.700 3.737 3.600 4.140 . 0 0 "[ . 1 .]" 1
308 1 24 SER H 1 27 CYS HB2 . . 3.800 3.319 3.082 3.840 0.040 11 0 "[ . 1 .]" 1
309 1 24 SER H 1 27 CYS QB . . 3.450 2.790 2.610 3.179 . 0 0 "[ . 1 .]" 1
310 1 24 SER H 1 27 CYS HB3 . . 3.800 3.003 2.784 3.399 . 0 0 "[ . 1 .]" 1
311 1 24 SER H 1 28 CYS H . . 5.000 4.892 4.676 4.987 . 0 0 "[ . 1 .]" 1
312 1 24 SER HA 1 25 GLY QA . . 6.880 3.941 3.922 3.957 . 0 0 "[ . 1 .]" 1
313 1 24 SER HA 1 26 GLN H . . 3.600 3.708 3.668 3.726 0.126 5 0 "[ . 1 .]" 1
314 1 24 SER HA 1 27 CYS H . . 5.000 4.458 4.408 4.620 . 0 0 "[ . 1 .]" 1
315 1 24 SER HA 1 27 CYS QB . . 6.880 4.605 4.488 4.800 . 0 0 "[ . 1 .]" 1
316 1 24 SER QB 1 25 GLY QA . . 7.750 4.042 3.995 4.159 . 0 0 "[ . 1 .]" 1
317 1 24 SER QB 1 27 CYS QB . . 7.750 3.781 3.651 3.925 . 0 0 "[ . 1 .]" 1
318 1 24 SER HG 1 26 GLN H . . 3.600 3.588 3.137 3.655 0.055 15 0 "[ . 1 .]" 1
319 1 24 SER HG 1 26 GLN QB . . 5.880 4.017 3.659 4.352 . 0 0 "[ . 1 .]" 1
320 1 24 SER HG 1 27 CYS H . . 4.000 2.763 2.151 2.995 . 0 0 "[ . 1 .]" 1
321 1 25 GLY H 1 26 GLN H . . 5.000 2.496 2.412 2.584 . 0 0 "[ . 1 .]" 1
322 1 25 GLY H 1 28 CYS H . . 6.000 5.865 5.702 6.003 0.003 10 0 "[ . 1 .]" 1
323 1 25 GLY QA 1 28 CYS H . . 6.880 4.050 3.841 4.294 . 0 0 "[ . 1 .]" 1
324 1 25 GLY QA 1 29 ASP H . . 6.880 4.842 4.384 5.344 . 0 0 "[ . 1 .]" 1
325 1 26 GLN H 1 27 CYS H . . 3.900 2.147 2.012 2.236 . 0 0 "[ . 1 .]" 1
326 1 26 GLN H 1 27 CYS QB . . 6.880 3.912 3.792 4.026 . 0 0 "[ . 1 .]" 1
327 1 26 GLN H 1 29 ASP H . . 6.000 5.244 4.978 5.485 . 0 0 "[ . 1 .]" 1
328 1 26 GLN HA 1 29 ASP H . . 3.700 3.444 3.045 3.696 . 0 0 "[ . 1 .]" 1
329 1 26 GLN HA 1 29 ASP HB2 . . 3.500 3.444 3.133 3.522 0.022 14 0 "[ . 1 .]" 1
330 1 26 GLN HA 1 29 ASP HB3 . . 3.400 3.074 2.464 3.541 0.141 3 0 "[ . 1 .]" 1
331 1 26 GLN O 1 30 GLY H . . 2.500 1.825 1.769 1.889 . 0 0 "[ . 1 .]" 1
332 1 26 GLN O 1 30 GLY N . . 3.500 2.639 2.526 2.843 . 0 0 "[ . 1 .]" 1
333 1 27 CYS H 1 27 CYS QB . . 3.720 2.224 2.178 2.274 . 0 0 "[ . 1 .]" 1
334 1 27 CYS H 1 28 CYS H . . 3.600 2.827 2.727 3.038 . 0 0 "[ . 1 .]" 1
335 1 27 CYS HA 1 31 VAL MG1 . . 6.000 4.997 4.855 5.081 . 0 0 "[ . 1 .]" 1
336 1 27 CYS HA 1 31 VAL MG2 . . 7.000 2.603 2.440 2.960 . 0 0 "[ . 1 .]" 1
337 1 27 CYS QB 1 28 CYS H . . 4.280 2.504 2.317 2.680 . 0 0 "[ . 1 .]" 1
338 1 27 CYS QB 1 29 ASP H . . 6.880 4.919 4.442 5.200 . 0 0 "[ . 1 .]" 1
339 1 27 CYS O 1 31 VAL H . . 2.500 2.088 1.741 2.405 . 0 0 "[ . 1 .]" 1
340 1 27 CYS O 1 31 VAL N . . 3.500 2.991 2.681 3.271 . 0 0 "[ . 1 .]" 1
341 1 28 CYS CB 1 73 CYS SG . . 3.500 2.903 2.850 2.992 . 0 0 "[ . 1 .]" 1
342 1 28 CYS H 1 29 ASP H . . 3.700 2.778 2.516 2.922 . 0 0 "[ . 1 .]" 1
343 1 28 CYS HA 1 31 VAL H . . 3.800 3.789 3.698 3.839 0.039 8 0 "[ . 1 .]" 1
344 1 28 CYS HA 1 31 VAL HB . . 3.300 3.254 2.891 3.364 0.064 1 0 "[ . 1 .]" 1
345 1 28 CYS HA 1 31 VAL MG2 . . 6.000 4.235 4.122 4.434 . 0 0 "[ . 1 .]" 1
346 1 28 CYS HA 1 32 LYS H . . 4.500 3.445 3.228 3.593 . 0 0 "[ . 1 .]" 1
347 1 28 CYS HA 1 73 CYS HB3 . . 5.000 4.700 3.944 4.997 . 0 0 "[ . 1 .]" 1
348 1 28 CYS HB2 1 29 ASP H . . 3.900 2.774 2.383 3.570 . 0 0 "[ . 1 .]" 1
349 1 28 CYS HB3 1 29 ASP H . . 4.600 3.295 2.069 3.989 . 0 0 "[ . 1 .]" 1
350 1 28 CYS HB3 1 73 CYS HA . . 4.400 4.336 4.172 4.449 0.049 1 0 "[ . 1 .]" 1
351 1 28 CYS O 1 32 LYS H . . 2.500 2.039 1.748 2.564 0.064 9 0 "[ . 1 .]" 1
352 1 28 CYS O 1 32 LYS N . . 3.500 2.935 2.676 3.401 . 0 0 "[ . 1 .]" 1
353 1 28 CYS SG 1 73 CYS CB . . 3.500 2.961 2.924 3.002 . 0 0 "[ . 1 .]" 1
354 1 28 CYS SG 1 73 CYS SG . . 2.100 2.020 2.011 2.023 . 0 0 "[ . 1 .]" 1
355 1 29 ASP H 1 29 ASP HB2 . . 3.300 2.367 2.057 2.734 . 0 0 "[ . 1 .]" 1
356 1 29 ASP H 1 29 ASP HB3 . . 3.800 2.906 2.542 3.300 . 0 0 "[ . 1 .]" 1
357 1 29 ASP H 1 30 GLY H . . 3.500 2.574 2.222 2.826 . 0 0 "[ . 1 .]" 1
358 1 29 ASP H 1 30 GLY HA2 . . 6.000 5.255 4.977 5.454 . 0 0 "[ . 1 .]" 1
359 1 29 ASP H 1 30 GLY HA3 . . 6.000 4.866 4.532 5.106 . 0 0 "[ . 1 .]" 1
360 1 29 ASP H 1 31 VAL H . . 5.000 4.251 3.576 4.636 . 0 0 "[ . 1 .]" 1
361 1 29 ASP H 1 31 VAL MG2 . . 7.000 5.394 4.600 5.810 . 0 0 "[ . 1 .]" 1
362 1 29 ASP H 1 32 LYS H . . 5.000 4.586 4.254 4.726 . 0 0 "[ . 1 .]" 1
363 1 29 ASP H 1 32 LYS QB . . 7.000 4.387 4.189 4.580 . 0 0 "[ . 1 .]" 1
364 1 29 ASP HA 1 31 VAL H . . 5.000 4.766 4.514 4.966 . 0 0 "[ . 1 .]" 1
365 1 29 ASP HA 1 32 LYS H . . 3.800 3.828 3.770 3.877 0.077 6 0 "[ . 1 .]" 1
366 1 29 ASP HA 1 32 LYS QB . . 6.000 2.666 2.401 2.956 . 0 0 "[ . 1 .]" 1
367 1 29 ASP HB2 1 30 GLY H . . 3.800 3.455 2.972 3.732 . 0 0 "[ . 1 .]" 1
368 1 29 ASP HB3 1 30 GLY H . . 4.100 2.538 2.166 3.060 . 0 0 "[ . 1 .]" 1
369 1 29 ASP HB3 1 33 ASN HD21 . . 6.000 4.000 3.314 4.575 . 0 0 "[ . 1 .]" 1
370 1 29 ASP HB3 1 33 ASN HD22 . . 6.000 4.787 3.554 5.576 . 0 0 "[ . 1 .]" 1
371 1 29 ASP O 1 33 ASN H . . 2.500 2.193 1.999 2.437 . 0 0 "[ . 1 .]" 1
372 1 29 ASP O 1 33 ASN N . . 3.500 3.112 2.939 3.324 . 0 0 "[ . 1 .]" 1
373 1 30 GLY H 1 31 VAL H . . 3.400 2.794 2.594 2.955 . 0 0 "[ . 1 .]" 1
374 1 30 GLY H 1 32 LYS H . . 6.000 4.137 3.939 4.250 . 0 0 "[ . 1 .]" 1
375 1 30 GLY HA2 1 31 VAL H . . 3.600 3.567 3.510 3.596 . 0 0 "[ . 1 .]" 1
376 1 30 GLY HA2 1 33 ASN HB2 . . 5.000 3.061 2.759 3.242 . 0 0 "[ . 1 .]" 1
377 1 30 GLY HA2 1 33 ASN HB3 . . 5.000 4.500 4.129 4.799 . 0 0 "[ . 1 .]" 1
378 1 30 GLY HA3 1 32 LYS H . . 6.000 4.789 4.576 5.023 . 0 0 "[ . 1 .]" 1
379 1 30 GLY O 1 34 LEU H . . 2.500 2.277 2.172 2.418 . 0 0 "[ . 1 .]" 1
380 1 30 GLY O 1 34 LEU N . . 3.500 3.244 3.151 3.397 . 0 0 "[ . 1 .]" 1
381 1 31 VAL H 1 31 VAL HB . . 3.300 2.399 2.226 2.469 . 0 0 "[ . 1 .]" 1
382 1 31 VAL H 1 31 VAL MG2 . . 3.000 2.115 2.011 2.372 . 0 0 "[ . 1 .]" 1
383 1 31 VAL H 1 32 LYS H . . 3.700 2.615 2.514 2.693 . 0 0 "[ . 1 .]" 1
384 1 31 VAL HA 1 34 LEU H . . 3.600 3.296 3.032 3.562 . 0 0 "[ . 1 .]" 1
385 1 31 VAL HA 1 34 LEU HB2 . . 5.000 3.287 2.614 3.912 . 0 0 "[ . 1 .]" 1
386 1 31 VAL HA 1 34 LEU HB3 . . 5.000 2.560 2.237 2.945 . 0 0 "[ . 1 .]" 1
387 1 31 VAL HB 1 32 LYS H . . 3.700 2.816 2.676 2.927 . 0 0 "[ . 1 .]" 1
388 1 31 VAL HB 1 75 VAL MG1 . . 7.000 4.361 2.671 5.059 . 0 0 "[ . 1 .]" 1
389 1 31 VAL HB 1 75 VAL MG2 . . 7.000 3.829 3.404 4.420 . 0 0 "[ . 1 .]" 1
390 1 31 VAL HB 1 77 LEU QD . . 8.570 3.537 3.376 3.859 . 0 0 "[ . 1 .]" 1
391 1 31 VAL MG1 1 32 LYS H . . 6.000 3.580 3.254 3.760 . 0 0 "[ . 1 .]" 1
392 1 31 VAL MG2 1 32 LYS H . . 6.000 3.949 3.880 4.020 . 0 0 "[ . 1 .]" 1
393 1 31 VAL MG2 1 34 LEU H . . 7.000 5.042 4.850 5.226 . 0 0 "[ . 1 .]" 1
394 1 31 VAL O 1 35 HIS H . . 2.500 1.872 1.807 2.020 . 0 0 "[ . 1 .]" 1
395 1 31 VAL O 1 35 HIS N . . 3.500 2.843 2.779 2.989 . 0 0 "[ . 1 .]" 1
396 1 32 LYS H 1 32 LYS QD . . 6.000 4.264 3.907 4.670 . 0 0 "[ . 1 .]" 1
397 1 32 LYS H 1 32 LYS QE . . 7.000 5.554 4.275 6.064 . 0 0 "[ . 1 .]" 1
398 1 32 LYS H 1 32 LYS HG2 . . 5.000 4.429 4.301 4.541 . 0 0 "[ . 1 .]" 1
399 1 32 LYS H 1 32 LYS QG . . 4.310 3.924 3.876 3.966 . 0 0 "[ . 1 .]" 1
400 1 32 LYS H 1 32 LYS HG3 . . 5.000 4.385 4.277 4.477 . 0 0 "[ . 1 .]" 1
401 1 32 LYS H 1 33 ASN H . . 3.500 2.647 2.599 2.690 . 0 0 "[ . 1 .]" 1
402 1 32 LYS H 1 33 ASN HA . . 6.000 5.298 5.249 5.358 . 0 0 "[ . 1 .]" 1
403 1 32 LYS H 1 33 ASN HB2 . . 6.000 4.534 4.493 4.621 . 0 0 "[ . 1 .]" 1
404 1 32 LYS H 1 33 ASN HB3 . . 6.000 6.023 5.992 6.087 0.087 13 0 "[ . 1 .]" 1
405 1 32 LYS H 1 75 VAL MG1 . . 6.000 3.641 2.923 3.894 . 0 0 "[ . 1 .]" 1
406 1 32 LYS H 1 75 VAL MG2 . . 6.000 3.877 3.546 4.079 . 0 0 "[ . 1 .]" 1
407 1 32 LYS HA 1 32 LYS QG . . 3.850 2.485 2.186 2.732 . 0 0 "[ . 1 .]" 1
408 1 32 LYS HA 1 35 HIS HB2 . . 5.000 3.649 3.210 3.953 . 0 0 "[ . 1 .]" 1
409 1 32 LYS HA 1 35 HIS HB3 . . 5.000 2.874 2.306 3.379 . 0 0 "[ . 1 .]" 1
410 1 32 LYS HA 1 36 ASN H . . 4.800 3.929 3.645 4.221 . 0 0 "[ . 1 .]" 1
411 1 32 LYS HA 1 75 VAL MG1 . . 6.000 2.653 2.121 3.039 . 0 0 "[ . 1 .]" 1
412 1 32 LYS HA 1 75 VAL MG2 . . 6.000 3.241 2.799 3.916 . 0 0 "[ . 1 .]" 1
413 1 32 LYS QB 1 34 LEU H . . 7.000 4.861 4.695 5.070 . 0 0 "[ . 1 .]" 1
414 1 32 LYS QB 1 75 VAL MG1 . . 7.000 2.279 1.912 3.547 . 0 0 "[ . 1 .]" 1
415 1 32 LYS QB 1 75 VAL MG2 . . 7.000 3.147 2.273 3.696 . 0 0 "[ . 1 .]" 1
416 1 32 LYS QG 1 33 ASN H . . 6.880 3.613 3.206 3.877 . 0 0 "[ . 1 .]" 1
417 1 32 LYS O 1 36 ASN H . . 2.500 1.975 1.800 2.257 . 0 0 "[ . 1 .]" 1
418 1 32 LYS O 1 36 ASN N . . 3.500 2.939 2.739 3.225 . 0 0 "[ . 1 .]" 1
419 1 33 ASN H 1 33 ASN QB . . 3.590 2.216 2.181 2.281 . 0 0 "[ . 1 .]" 1
420 1 33 ASN H 1 34 LEU H . . 3.600 2.839 2.668 2.986 . 0 0 "[ . 1 .]" 1
421 1 33 ASN H 1 75 VAL MG1 . . 7.000 5.096 4.629 5.487 . 0 0 "[ . 1 .]" 1
422 1 33 ASN H 1 75 VAL MG2 . . 7.000 5.706 5.165 5.914 . 0 0 "[ . 1 .]" 1
423 1 33 ASN HA 1 35 HIS H . . 6.000 4.759 4.675 4.835 . 0 0 "[ . 1 .]" 1
424 1 33 ASN HA 1 36 ASN H . . 3.800 3.740 3.674 3.791 . 0 0 "[ . 1 .]" 1
425 1 33 ASN HA 1 36 ASN HB2 . . 3.400 3.408 3.203 3.476 0.076 9 0 "[ . 1 .]" 1
426 1 33 ASN HA 1 36 ASN HB3 . . 3.400 3.038 2.813 3.425 0.025 7 0 "[ . 1 .]" 1
427 1 33 ASN HA 1 37 GLN H . . 6.000 4.050 3.824 4.354 . 0 0 "[ . 1 .]" 1
428 1 33 ASN QB 1 34 LEU H . . 4.350 2.414 2.269 2.547 . 0 0 "[ . 1 .]" 1
429 1 33 ASN HB2 1 34 LEU H . . 5.000 2.568 2.463 2.690 . 0 0 "[ . 1 .]" 1
430 1 33 ASN HB3 1 34 LEU H . . 5.000 2.959 2.650 3.470 . 0 0 "[ . 1 .]" 1
431 1 33 ASN O 1 37 GLN H . . 2.500 1.910 1.769 2.077 . 0 0 "[ . 1 .]" 1
432 1 33 ASN O 1 37 GLN N . . 3.500 2.814 2.660 3.025 . 0 0 "[ . 1 .]" 1
433 1 34 LEU H 1 34 LEU QB . . 3.620 2.228 2.167 2.289 . 0 0 "[ . 1 .]" 1
434 1 34 LEU H 1 34 LEU HG . . 5.000 4.503 4.420 4.589 . 0 0 "[ . 1 .]" 1
435 1 34 LEU H 1 35 HIS H . . 4.100 2.913 2.804 3.013 . 0 0 "[ . 1 .]" 1
436 1 34 LEU H 1 35 HIS HB3 . . 6.000 5.040 4.651 5.258 . 0 0 "[ . 1 .]" 1
437 1 34 LEU HA 1 34 LEU HG . . 4.000 2.944 2.518 3.748 . 0 0 "[ . 1 .]" 1
438 1 34 LEU HA 1 37 GLN H . . 3.800 3.533 3.419 3.638 . 0 0 "[ . 1 .]" 1
439 1 34 LEU HA 1 38 ALA MB . . 7.000 4.735 4.406 5.628 . 0 0 "[ . 1 .]" 1
440 1 34 LEU QB 1 35 HIS H . . 4.280 2.175 2.053 2.274 . 0 0 "[ . 1 .]" 1
441 1 34 LEU QD 1 35 HIS H . . 7.400 3.125 2.653 3.576 . 0 0 "[ . 1 .]" 1
442 1 34 LEU QD 1 35 HIS HD2 . . 8.400 5.140 3.951 6.277 . 0 0 "[ . 1 .]" 1
443 1 34 LEU QD 1 47 ALA H . . 8.400 4.114 3.755 4.737 . 0 0 "[ . 1 .]" 1
444 1 34 LEU QD 1 47 ALA MB . . 7.800 1.909 1.722 2.230 . 0 0 "[ . 1 .]" 1
445 1 34 LEU QD 1 79 TYR CG . . 9.400 5.935 5.369 6.637 . 0 0 "[ . 1 .]" 1
446 1 34 LEU QD 1 79 TYR CZ . . 9.400 4.061 3.581 4.981 . 0 0 "[ . 1 .]" 1
447 1 34 LEU HG 1 79 TYR CZ . . 8.000 6.151 4.893 7.166 . 0 0 "[ . 1 .]" 1
448 1 35 HIS H 1 35 HIS HB2 . . 3.200 2.376 2.248 2.571 . 0 0 "[ . 1 .]" 1
449 1 35 HIS H 1 35 HIS HB3 . . 3.300 2.651 2.327 2.812 . 0 0 "[ . 1 .]" 1
450 1 35 HIS H 1 35 HIS HD2 . . 6.000 4.990 4.757 5.477 . 0 0 "[ . 1 .]" 1
451 1 35 HIS H 1 36 ASN H . . 3.600 2.916 2.834 2.987 . 0 0 "[ . 1 .]" 1
452 1 35 HIS H 1 77 LEU MD1 . . 6.000 3.675 3.249 3.823 . 0 0 "[ . 1 .]" 1
453 1 35 HIS H 1 77 LEU MD2 . . 6.000 4.592 4.107 5.014 . 0 0 "[ . 1 .]" 1
454 1 35 HIS HA 1 38 ALA MB . . 6.000 2.932 2.575 3.914 . 0 0 "[ . 1 .]" 1
455 1 35 HIS HA 1 77 LEU QD . . 5.070 3.774 3.634 3.843 . 0 0 "[ . 1 .]" 1
456 1 35 HIS HB2 1 36 ASN H . . 5.000 3.596 3.489 3.687 . 0 0 "[ . 1 .]" 1
457 1 35 HIS HB2 1 77 LEU MD1 . . 6.000 2.038 1.935 2.113 . 0 0 "[ . 1 .]" 1
458 1 35 HIS HB2 1 77 LEU QD . . 5.200 2.028 1.926 2.104 . 0 0 "[ . 1 .]" 1
459 1 35 HIS HB2 1 77 LEU MD2 . . 6.000 3.644 3.443 3.961 . 0 0 "[ . 1 .]" 1
460 1 35 HIS HB3 1 36 ASN H . . 3.600 2.287 2.183 2.387 . 0 0 "[ . 1 .]" 1
461 1 35 HIS HB3 1 77 LEU MD1 . . 6.000 3.193 3.067 3.339 . 0 0 "[ . 1 .]" 1
462 1 35 HIS HB3 1 77 LEU MD2 . . 6.000 5.050 4.952 5.124 . 0 0 "[ . 1 .]" 1
463 1 35 HIS HD2 1 36 ASN H . . 6.000 5.136 4.812 5.665 . 0 0 "[ . 1 .]" 1
464 1 35 HIS HD2 1 77 LEU HA . . 6.000 3.709 2.298 5.010 . 0 0 "[ . 1 .]" 1
465 1 35 HIS HD2 1 77 LEU MD1 . . 6.000 3.264 2.077 4.321 . 0 0 "[ . 1 .]" 1
466 1 35 HIS HD2 1 77 LEU QD . . 5.540 3.152 2.069 4.097 . 0 0 "[ . 1 .]" 1
467 1 35 HIS HD2 1 77 LEU MD2 . . 6.000 4.730 3.621 5.083 . 0 0 "[ . 1 .]" 1
468 1 35 HIS HE1 1 77 LEU QD . . 8.570 4.283 3.409 5.326 . 0 0 "[ . 1 .]" 1
469 1 36 ASN H 1 75 VAL QG . . 8.560 5.179 4.759 5.564 . 0 0 "[ . 1 .]" 1
470 1 36 ASN QB 1 37 GLN H . . 4.420 2.568 2.345 2.874 . 0 0 "[ . 1 .]" 1
471 1 36 ASN HB2 1 37 GLN H . . 4.700 3.686 3.419 3.849 . 0 0 "[ . 1 .]" 1
472 1 36 ASN HB3 1 37 GLN H . . 4.700 2.628 2.373 3.038 . 0 0 "[ . 1 .]" 1
473 1 37 GLN H 1 37 GLN HG2 . . 5.000 4.104 3.026 4.530 . 0 0 "[ . 1 .]" 1
474 1 37 GLN H 1 37 GLN QG . . 4.350 3.459 2.260 3.965 . 0 0 "[ . 1 .]" 1
475 1 37 GLN H 1 37 GLN HG3 . . 5.000 3.875 2.286 4.589 . 0 0 "[ . 1 .]" 1
476 1 37 GLN HB2 1 38 ALA H . . 5.000 3.741 2.684 4.673 . 0 0 "[ . 1 .]" 1
477 1 37 GLN HB3 1 38 ALA H . . 5.000 3.259 2.339 4.401 . 0 0 "[ . 1 .]" 1
478 1 38 ALA H 1 38 ALA MB . . 3.100 2.272 2.171 2.621 . 0 0 "[ . 1 .]" 1
479 1 38 ALA H 1 39 ARG H . . 5.000 3.912 3.107 4.402 . 0 0 "[ . 1 .]" 1
480 1 38 ALA HA 1 39 ARG H . . 3.000 2.288 2.143 2.525 . 0 0 "[ . 1 .]" 1
481 1 38 ALA HA 1 43 ASP HB2 . . 3.500 2.713 2.423 2.780 . 0 0 "[ . 1 .]" 1
482 1 38 ALA HA 1 43 ASP HB3 . . 2.700 2.008 1.822 2.203 . 0 0 "[ . 1 .]" 1
483 1 38 ALA MB 1 39 ARG HA . . 7.000 4.280 4.107 4.443 . 0 0 "[ . 1 .]" 1
484 1 38 ALA MB 1 40 SER H . . 7.000 3.887 3.595 4.321 . 0 0 "[ . 1 .]" 1
485 1 38 ALA MB 1 43 ASP H . . 7.000 4.452 4.165 5.037 . 0 0 "[ . 1 .]" 1
486 1 38 ALA MB 1 43 ASP HA . . 7.000 4.266 3.921 4.889 . 0 0 "[ . 1 .]" 1
487 1 38 ALA MB 1 43 ASP HB2 . . 6.000 3.490 3.011 3.843 . 0 0 "[ . 1 .]" 1
488 1 38 ALA MB 1 43 ASP HB3 . . 4.600 2.391 1.980 3.623 . 0 0 "[ . 1 .]" 1
489 1 38 ALA MB 1 44 ARG H . . 6.000 3.390 2.915 3.713 . 0 0 "[ . 1 .]" 1
490 1 38 ALA MB 1 44 ARG HA . . 4.300 2.983 2.181 3.479 . 0 0 "[ . 1 .]" 1
491 1 38 ALA MB 1 47 ALA H . . 7.000 5.058 4.590 5.863 . 0 0 "[ . 1 .]" 1
492 1 39 ARG H 1 39 ARG HB2 . . 4.200 2.475 2.269 2.743 . 0 0 "[ . 1 .]" 1
493 1 39 ARG H 1 39 ARG HB3 . . 3.500 2.896 2.422 3.792 0.292 15 0 "[ . 1 .]" 1
494 1 39 ARG H 1 39 ARG HG2 . . 5.000 4.437 3.702 4.822 . 0 0 "[ . 1 .]" 1
495 1 39 ARG H 1 39 ARG HG3 . . 5.000 4.285 2.568 4.742 . 0 0 "[ . 1 .]" 1
496 1 39 ARG H 1 40 SER H . . 3.300 2.259 2.029 2.465 . 0 0 "[ . 1 .]" 1
497 1 39 ARG H 1 40 SER HA . . 5.000 4.967 4.752 5.041 0.041 2 0 "[ . 1 .]" 1
498 1 39 ARG H 1 43 ASP HB3 . . 4.000 3.558 3.035 3.892 . 0 0 "[ . 1 .]" 1
499 1 39 ARG HB2 1 40 SER H . . 4.800 3.919 3.707 3.999 . 0 0 "[ . 1 .]" 1
500 1 39 ARG HB3 1 40 SER H . . 3.900 3.422 2.865 4.466 0.566 15 1 "[ . 1 +]" 1
501 1 40 SER H 1 40 SER QB . . 3.770 2.710 2.542 3.001 . 0 0 "[ . 1 .]" 1
502 1 40 SER H 1 41 GLN H . . 6.000 4.522 4.388 4.688 . 0 0 "[ . 1 .]" 1
503 1 40 SER H 1 41 GLN HA . . 6.000 5.257 4.961 5.508 . 0 0 "[ . 1 .]" 1
504 1 40 SER H 1 43 ASP H . . 4.700 3.652 3.380 3.914 . 0 0 "[ . 1 .]" 1
505 1 40 SER H 1 43 ASP HB2 . . 3.200 3.037 2.122 3.709 0.509 14 1 "[ . 1 +.]" 1
506 1 40 SER H 1 43 ASP HB3 . . 4.300 3.264 3.204 3.386 . 0 0 "[ . 1 .]" 1
507 1 40 SER QB 1 41 GLN H . . 4.490 2.615 2.049 3.385 . 0 0 "[ . 1 .]" 1
508 1 40 SER QB 1 42 SER H . . 4.400 2.826 2.582 3.220 . 0 0 "[ . 1 .]" 1
509 1 40 SER QB 1 43 ASP H . . 5.180 3.035 2.151 4.011 . 0 0 "[ . 1 .]" 1
510 1 40 SER HB2 1 41 GLN H . . 5.000 3.226 2.061 3.961 . 0 0 "[ . 1 .]" 1
511 1 40 SER HB2 1 42 SER H . . 5.000 3.232 2.731 4.345 . 0 0 "[ . 1 .]" 1
512 1 40 SER HB3 1 41 GLN H . . 5.000 3.183 2.161 4.017 . 0 0 "[ . 1 .]" 1
513 1 40 SER HB3 1 42 SER H . . 5.000 3.435 2.670 4.403 . 0 0 "[ . 1 .]" 1
514 1 41 GLN H 1 41 GLN HB2 . . 3.300 2.386 2.099 2.852 . 0 0 "[ . 1 .]" 1
515 1 41 GLN H 1 42 SER H . . 4.800 2.623 2.202 2.863 . 0 0 "[ . 1 .]" 1
516 1 41 GLN H 1 43 ASP H . . 6.000 4.340 4.062 4.543 . 0 0 "[ . 1 .]" 1
517 1 41 GLN HA 1 41 GLN QG . . 3.720 2.374 2.143 2.579 . 0 0 "[ . 1 .]" 1
518 1 41 GLN HA 1 44 ARG H . . 4.100 3.615 3.090 4.054 . 0 0 "[ . 1 .]" 1
519 1 41 GLN HA 1 44 ARG HE . . 6.000 5.099 4.060 6.044 0.044 4 0 "[ . 1 .]" 1
520 1 41 GLN HA 1 45 GLN H . . 6.000 4.058 3.312 4.649 . 0 0 "[ . 1 .]" 1
521 1 41 GLN HB2 1 42 SER H . . 5.000 3.747 2.874 4.547 . 0 0 "[ . 1 .]" 1
522 1 41 GLN HB3 1 42 SER H . . 5.000 3.071 2.582 4.173 . 0 0 "[ . 1 .]" 1
523 1 41 GLN HB3 1 45 GLN QE . . 6.870 4.414 2.480 5.799 . 0 0 "[ . 1 .]" 1
524 1 41 GLN QE 1 45 GLN QE . . 7.730 3.490 2.045 5.541 . 0 0 "[ . 1 .]" 1
525 1 41 GLN QG 1 45 GLN QE . . 7.740 3.046 1.973 4.342 . 0 0 "[ . 1 .]" 1
526 1 42 SER H 1 43 ASP H . . 3.700 2.655 2.028 3.056 . 0 0 "[ . 1 .]" 1
527 1 42 SER HA 1 45 GLN H . . 4.000 3.601 3.287 4.004 0.004 14 0 "[ . 1 .]" 1
528 1 42 SER HA 1 46 SER H . . 5.000 3.846 3.594 4.266 . 0 0 "[ . 1 .]" 1
529 1 42 SER O 1 46 SER H . . 2.500 2.061 1.774 2.524 0.024 14 0 "[ . 1 .]" 1
530 1 42 SER O 1 46 SER N . . 3.500 2.981 2.678 3.428 . 0 0 "[ . 1 .]" 1
531 1 43 ASP H 1 43 ASP HB2 . . 3.200 2.318 2.042 2.673 . 0 0 "[ . 1 .]" 1
532 1 43 ASP H 1 44 ARG H . . 3.500 2.517 2.210 2.696 . 0 0 "[ . 1 .]" 1
533 1 43 ASP H 1 45 GLN H . . 4.200 4.183 3.889 4.240 0.040 3 0 "[ . 1 .]" 1
534 1 43 ASP HA 1 46 SER H . . 3.700 3.614 3.460 3.789 0.089 10 0 "[ . 1 .]" 1
535 1 43 ASP HA 1 46 SER QB . . 6.880 2.742 2.591 2.984 . 0 0 "[ . 1 .]" 1
536 1 43 ASP HA 1 47 ALA H . . 4.600 3.914 3.435 4.434 . 0 0 "[ . 1 .]" 1
537 1 43 ASP HB2 1 44 ARG H . . 5.000 3.507 2.356 4.053 . 0 0 "[ . 1 .]" 1
538 1 43 ASP HB3 1 44 ARG H . . 4.800 3.112 2.511 3.689 . 0 0 "[ . 1 .]" 1
539 1 43 ASP O 1 47 ALA H . . 2.500 2.357 1.985 2.508 0.008 3 0 "[ . 1 .]" 1
540 1 43 ASP O 1 47 ALA N . . 3.500 3.314 2.962 3.486 . 0 0 "[ . 1 .]" 1
541 1 44 ARG H 1 44 ARG HG2 . . 5.000 4.103 1.885 4.728 . 0 0 "[ . 1 .]" 1
542 1 44 ARG H 1 44 ARG HG3 . . 5.000 3.685 2.107 4.697 . 0 0 "[ . 1 .]" 1
543 1 44 ARG H 1 45 GLN H . . 5.000 2.479 2.240 2.642 . 0 0 "[ . 1 .]" 1
544 1 44 ARG H 1 46 SER H . . 3.800 3.870 3.820 3.930 0.130 14 0 "[ . 1 .]" 1
545 1 44 ARG HA 1 47 ALA MB . . 4.100 3.056 2.634 3.313 . 0 0 "[ . 1 .]" 1
546 1 44 ARG QB 1 45 GLN QG . . 7.880 4.514 3.092 5.245 . 0 0 "[ . 1 .]" 1
547 1 44 ARG QB 1 46 SER H . . 6.880 4.697 4.456 5.095 . 0 0 "[ . 1 .]" 1
548 1 44 ARG QB 1 79 TYR CG . . 7.880 6.371 5.344 7.081 . 0 0 "[ . 1 .]" 1
549 1 44 ARG QB 1 79 TYR CZ . . 7.880 5.129 4.258 5.899 . 0 0 "[ . 1 .]" 1
550 1 44 ARG HB2 1 44 ARG HE . . 5.000 3.827 2.086 4.703 . 0 0 "[ . 1 .]" 1
551 1 44 ARG HB3 1 44 ARG HE . . 5.000 3.169 1.887 4.388 . 0 0 "[ . 1 .]" 1
552 1 44 ARG QD 1 79 TYR CZ . . 8.880 5.927 4.943 7.369 . 0 0 "[ . 1 .]" 1
553 1 44 ARG HE 1 79 TYR CZ . . 8.000 6.356 5.451 7.613 . 0 0 "[ . 1 .]" 1
554 1 44 ARG HE 1 90 VAL HA . . 6.000 5.392 4.173 6.131 0.131 9 0 "[ . 1 .]" 1
555 1 44 ARG HE 1 90 VAL HB . . 6.000 4.203 2.856 4.763 . 0 0 "[ . 1 .]" 1
556 1 44 ARG HE 1 90 VAL QG . . 8.560 3.735 1.911 4.926 . 0 0 "[ . 1 .]" 1
557 1 44 ARG QG 1 45 GLN H . . 5.880 3.947 2.543 4.611 . 0 0 "[ . 1 .]" 1
558 1 44 ARG QG 1 79 TYR CG . . 7.880 5.619 4.553 7.103 . 0 0 "[ . 1 .]" 1
559 1 44 ARG QG 1 79 TYR CZ . . 7.880 4.268 3.455 6.082 . 0 0 "[ . 1 .]" 1
560 1 44 ARG QH1 1 90 VAL HA . . 6.000 6.511 3.747 7.683 1.683 5 11 "[*-**+ **** ** .]" 1
561 1 44 ARG O 1 48 CYS H . . 2.500 2.163 1.829 2.510 0.010 14 0 "[ . 1 .]" 1
562 1 44 ARG O 1 48 CYS N . . 3.500 3.061 2.762 3.372 . 0 0 "[ . 1 .]" 1
563 1 45 GLN H 1 45 GLN HB2 . . 3.200 2.092 1.992 2.241 . 0 0 "[ . 1 .]" 1
564 1 45 GLN H 1 45 GLN QE . . 6.870 4.619 3.629 5.498 . 0 0 "[ . 1 .]" 1
565 1 45 GLN H 1 45 GLN QG . . 4.700 3.486 2.116 3.970 . 0 0 "[ . 1 .]" 1
566 1 45 GLN H 1 46 SER H . . 4.000 2.625 2.334 2.827 . 0 0 "[ . 1 .]" 1
567 1 45 GLN H 1 90 VAL QG . . 7.560 5.074 4.246 5.723 . 0 0 "[ . 1 .]" 1
568 1 45 GLN HA 1 48 CYS H . . 5.000 3.641 3.500 3.819 . 0 0 "[ . 1 .]" 1
569 1 45 GLN HA 1 48 CYS HB2 . . 5.000 2.873 2.218 3.322 . 0 0 "[ . 1 .]" 1
570 1 45 GLN HA 1 48 CYS HB3 . . 3.600 3.086 2.683 3.762 0.162 11 0 "[ . 1 .]" 1
571 1 45 GLN HA 1 79 TYR CG . . 8.000 7.031 6.467 7.348 . 0 0 "[ . 1 .]" 1
572 1 45 GLN HA 1 87 CYS HB3 . . 3.600 3.210 2.740 3.646 0.046 12 0 "[ . 1 .]" 1
573 1 45 GLN HA 1 90 VAL QG . . 7.560 3.901 3.380 5.317 . 0 0 "[ . 1 .]" 1
574 1 45 GLN HB2 1 46 SER H . . 3.800 3.171 2.590 3.663 . 0 0 "[ . 1 .]" 1
575 1 45 GLN HB3 1 46 SER H . . 4.000 2.960 2.474 3.494 . 0 0 "[ . 1 .]" 1
576 1 45 GLN QE 1 90 VAL QG . . 9.430 4.502 3.781 5.288 . 0 0 "[ . 1 .]" 1
577 1 45 GLN HE21 1 88 SER HA . . 5.000 3.796 1.955 5.014 0.014 6 0 "[ . 1 .]" 1
578 1 45 GLN HE22 1 88 SER HA . . 5.000 4.378 2.945 5.053 0.053 5 0 "[ . 1 .]" 1
579 1 45 GLN QG 1 46 SER H . . 6.000 4.373 4.158 4.567 . 0 0 "[ . 1 .]" 1
580 1 45 GLN QG 1 49 ASN QD . . 7.870 3.834 2.900 6.165 . 0 0 "[ . 1 .]" 1
581 1 45 GLN QG 1 90 VAL H . . 6.000 4.428 3.096 5.467 . 0 0 "[ . 1 .]" 1
582 1 45 GLN QG 1 90 VAL QG . . 8.560 3.781 3.313 4.405 . 0 0 "[ . 1 .]" 1
583 1 45 GLN O 1 49 ASN H . . 2.500 2.245 1.986 2.372 . 0 0 "[ . 1 .]" 1
584 1 45 GLN O 1 49 ASN N . . 3.500 3.158 2.867 3.325 . 0 0 "[ . 1 .]" 1
585 1 46 SER H 1 46 SER HB2 . . 3.600 2.444 2.307 2.598 . 0 0 "[ . 1 .]" 1
586 1 46 SER H 1 46 SER HB3 . . 3.600 3.613 3.578 3.645 0.045 5 0 "[ . 1 .]" 1
587 1 46 SER H 1 47 ALA H . . 3.600 2.892 2.727 3.063 . 0 0 "[ . 1 .]" 1
588 1 46 SER H 1 47 ALA MB . . 7.000 4.413 4.298 4.599 . 0 0 "[ . 1 .]" 1
589 1 46 SER HA 1 49 ASN H . . 3.600 3.595 3.520 3.655 0.055 4 0 "[ . 1 .]" 1
590 1 46 SER HA 1 49 ASN HB2 . . 5.000 3.107 2.772 3.481 . 0 0 "[ . 1 .]" 1
591 1 46 SER HA 1 49 ASN HB3 . . 5.000 4.639 4.271 4.924 . 0 0 "[ . 1 .]" 1
592 1 46 SER HA 1 49 ASN QD . . 5.370 2.724 1.851 4.220 . 0 0 "[ . 1 .]" 1
593 1 46 SER HA 1 50 CYS H . . 6.000 4.737 4.651 4.815 . 0 0 "[ . 1 .]" 1
594 1 46 SER HB2 1 47 ALA H . . 3.900 2.305 2.231 2.386 . 0 0 "[ . 1 .]" 1
595 1 46 SER HB3 1 47 ALA H . . 3.900 3.171 2.849 3.504 . 0 0 "[ . 1 .]" 1
596 1 46 SER O 1 50 CYS H . . 2.500 2.412 2.343 2.456 . 0 0 "[ . 1 .]" 1
597 1 46 SER O 1 50 CYS N . . 3.500 3.326 3.257 3.388 . 0 0 "[ . 1 .]" 1
598 1 47 ALA H 1 47 ALA MB . . 2.800 2.181 2.121 2.229 . 0 0 "[ . 1 .]" 1
599 1 47 ALA H 1 48 CYS H . . 3.600 2.805 2.724 2.862 . 0 0 "[ . 1 .]" 1
600 1 47 ALA H 1 48 CYS HA . . 6.000 5.398 5.343 5.452 . 0 0 "[ . 1 .]" 1
601 1 47 ALA H 1 79 TYR CG . . 8.000 7.652 7.327 8.001 0.001 3 0 "[ . 1 .]" 1
602 1 47 ALA H 1 79 TYR CZ . . 8.000 5.504 5.185 5.791 . 0 0 "[ . 1 .]" 1
603 1 47 ALA HA 1 50 CYS H . . 4.300 3.260 3.104 3.364 . 0 0 "[ . 1 .]" 1
604 1 47 ALA HA 1 50 CYS HB2 . . 4.300 3.101 2.957 3.324 . 0 0 "[ . 1 .]" 1
605 1 47 ALA HA 1 50 CYS HB3 . . 4.600 4.339 4.317 4.370 . 0 0 "[ . 1 .]" 1
606 1 47 ALA HA 1 51 LEU H . . 6.000 4.539 4.423 4.660 . 0 0 "[ . 1 .]" 1
607 1 47 ALA MB 1 48 CYS H . . 4.000 2.597 2.473 2.791 . 0 0 "[ . 1 .]" 1
608 1 47 ALA MB 1 48 CYS HA . . 7.000 3.874 3.790 3.941 . 0 0 "[ . 1 .]" 1
609 1 47 ALA MB 1 48 CYS HB3 . . 7.000 4.985 4.640 5.324 . 0 0 "[ . 1 .]" 1
610 1 47 ALA MB 1 49 ASN H . . 7.000 4.556 4.420 4.754 . 0 0 "[ . 1 .]" 1
611 1 47 ALA MB 1 50 CYS H . . 7.000 4.503 4.403 4.607 . 0 0 "[ . 1 .]" 1
612 1 47 ALA MB 1 51 LEU H . . 7.000 4.780 4.684 4.926 . 0 0 "[ . 1 .]" 1
613 1 47 ALA MB 1 79 TYR CG . . 8.000 5.136 4.719 5.411 . 0 0 "[ . 1 .]" 1
614 1 47 ALA MB 1 79 TYR CZ . . 8.000 3.071 2.883 3.271 . 0 0 "[ . 1 .]" 1
615 1 47 ALA O 1 51 LEU H . . 2.500 2.468 2.390 2.522 0.022 13 0 "[ . 1 .]" 1
616 1 47 ALA O 1 51 LEU N . . 3.500 3.427 3.352 3.488 . 0 0 "[ . 1 .]" 1
617 1 48 CYS CB 1 87 CYS SG . . 3.500 2.968 2.930 3.027 . 0 0 "[ . 1 .]" 1
618 1 48 CYS H 1 48 CYS HB2 . . 3.200 2.243 2.047 2.526 . 0 0 "[ . 1 .]" 1
619 1 48 CYS H 1 48 CYS HB3 . . 3.300 2.866 2.486 3.327 0.027 3 0 "[ . 1 .]" 1
620 1 48 CYS H 1 49 ASN H . . 5.000 2.723 2.642 2.859 . 0 0 "[ . 1 .]" 1
621 1 48 CYS H 1 79 TYR CG . . 7.000 5.372 5.053 5.710 . 0 0 "[ . 1 .]" 1
622 1 48 CYS H 1 79 TYR CZ . . 7.000 3.992 3.348 4.721 . 0 0 "[ . 1 .]" 1
623 1 48 CYS HA 1 51 LEU H . . 3.900 3.775 3.575 3.913 0.013 12 0 "[ . 1 .]" 1
624 1 48 CYS HA 1 51 LEU QB . . 6.880 3.507 3.213 4.614 . 0 0 "[ . 1 .]" 1
625 1 48 CYS HA 1 51 LEU MD1 . . 7.000 2.889 2.051 5.207 . 0 0 "[ . 1 .]" 1
626 1 48 CYS HA 1 51 LEU MD2 . . 7.000 4.431 2.259 5.702 . 0 0 "[ . 1 .]" 1
627 1 48 CYS HA 1 79 TYR CG . . 5.900 3.628 3.176 4.304 . 0 0 "[ . 1 .]" 1
628 1 48 CYS HA 1 79 TYR CZ . . 7.000 3.624 3.130 4.704 . 0 0 "[ . 1 .]" 1
629 1 48 CYS HA 1 90 VAL QG . . 8.560 4.657 3.306 6.170 . 0 0 "[ . 1 .]" 1
630 1 48 CYS HB2 1 79 TYR CG . . 6.000 4.510 3.496 5.542 . 0 0 "[ . 1 .]" 1
631 1 48 CYS HB2 1 79 TYR CZ . . 6.600 4.216 3.178 4.970 . 0 0 "[ . 1 .]" 1
632 1 48 CYS HB3 1 49 ASN H . . 5.000 2.711 2.269 3.430 . 0 0 "[ . 1 .]" 1
633 1 48 CYS HB3 1 79 TYR CG . . 7.000 5.270 4.529 6.007 . 0 0 "[ . 1 .]" 1
634 1 48 CYS O 1 52 LYS H . . 2.500 2.037 1.768 2.395 . 0 0 "[ . 1 .]" 1
635 1 48 CYS O 1 52 LYS N . . 3.500 2.994 2.720 3.329 . 0 0 "[ . 1 .]" 1
636 1 48 CYS SG 1 87 CYS CB . . 3.500 2.938 2.891 2.990 . 0 0 "[ . 1 .]" 1
637 1 48 CYS SG 1 87 CYS SG . . 2.100 2.015 2.012 2.018 . 0 0 "[ . 1 .]" 1
638 1 49 ASN H 1 49 ASN HD21 . . 5.000 2.904 2.468 4.346 . 0 0 "[ . 1 .]" 1
639 1 49 ASN H 1 49 ASN HD22 . . 5.000 3.959 3.435 4.880 . 0 0 "[ . 1 .]" 1
640 1 49 ASN H 1 50 CYS H . . 5.000 2.730 2.631 2.816 . 0 0 "[ . 1 .]" 1
641 1 49 ASN H 1 51 LEU QD . . 8.570 5.034 4.355 6.234 . 0 0 "[ . 1 .]" 1
642 1 49 ASN HA 1 52 LYS H . . 3.600 3.495 3.256 3.622 0.022 13 0 "[ . 1 .]" 1
643 1 49 ASN HA 1 52 LYS HB2 . . 3.900 2.909 2.093 3.903 0.003 13 0 "[ . 1 .]" 1
644 1 49 ASN HA 1 52 LYS QB . . 3.600 2.351 2.081 2.729 . 0 0 "[ . 1 .]" 1
645 1 49 ASN HA 1 52 LYS HB3 . . 3.900 2.854 2.281 3.905 0.005 8 0 "[ . 1 .]" 1
646 1 49 ASN HA 1 52 LYS QD . . 6.000 3.526 2.627 4.297 . 0 0 "[ . 1 .]" 1
647 1 49 ASN HA 1 52 LYS QG . . 5.880 4.042 3.467 4.751 . 0 0 "[ . 1 .]" 1
648 1 49 ASN HB2 1 49 ASN QD . . 3.450 2.251 2.134 2.478 . 0 0 "[ . 1 .]" 1
649 1 49 ASN HB2 1 49 ASN HD22 . . 3.700 3.464 3.416 3.606 . 0 0 "[ . 1 .]" 1
650 1 49 ASN HB3 1 51 LEU H . . 6.000 5.810 5.598 6.129 0.129 13 0 "[ . 1 .]" 1
651 1 49 ASN QD 1 50 CYS H . . 6.870 4.510 4.122 5.066 . 0 0 "[ . 1 .]" 1
652 1 49 ASN O 1 53 GLY H . . 2.500 1.802 1.743 2.008 . 0 0 "[ . 1 .]" 1
653 1 49 ASN O 1 53 GLY N . . 3.500 2.751 2.611 2.992 . 0 0 "[ . 1 .]" 1
654 1 50 CYS H 1 51 LEU H . . 3.400 2.918 2.769 3.073 . 0 0 "[ . 1 .]" 1
655 1 50 CYS H 1 51 LEU QD . . 8.570 4.320 3.470 5.606 . 0 0 "[ . 1 .]" 1
656 1 50 CYS HA 1 53 GLY H . . 4.100 4.004 3.623 4.126 0.026 12 0 "[ . 1 .]" 1
657 1 50 CYS HB2 1 51 LEU H . . 4.200 2.188 2.012 2.408 . 0 0 "[ . 1 .]" 1
658 1 50 CYS HB3 1 51 LEU H . . 3.500 3.285 2.914 3.487 . 0 0 "[ . 1 .]" 1
659 1 50 CYS O 1 54 ILE H . . 2.500 2.141 1.942 2.344 . 0 0 "[ . 1 .]" 1
660 1 50 CYS O 1 54 ILE N . . 3.500 3.068 2.915 3.230 . 0 0 "[ . 1 .]" 1
661 1 51 LEU H 1 51 LEU QB . . 3.900 2.464 2.195 2.745 . 0 0 "[ . 1 .]" 1
662 1 51 LEU H 1 51 LEU HG . . 5.000 2.836 1.803 4.538 . 0 0 "[ . 1 .]" 1
663 1 51 LEU H 1 79 TYR CG . . 8.000 6.606 6.176 7.363 . 0 0 "[ . 1 .]" 1
664 1 51 LEU H 1 79 TYR CZ . . 8.000 6.369 5.875 7.458 . 0 0 "[ . 1 .]" 1
665 1 51 LEU HA 1 54 ILE H . . 3.900 3.638 3.520 3.797 . 0 0 "[ . 1 .]" 1
666 1 51 LEU HA 1 54 ILE MD . . 6.000 2.565 2.123 4.085 . 0 0 "[ . 1 .]" 1
667 1 51 LEU HA 1 55 ALA H . . 4.900 3.708 3.454 4.035 . 0 0 "[ . 1 .]" 1
668 1 51 LEU QB 1 79 TYR CG . . 8.880 4.926 4.314 6.297 . 0 0 "[ . 1 .]" 1
669 1 51 LEU QB 1 82 SER H . . 5.880 3.808 3.262 5.331 . 0 0 "[ . 1 .]" 1
670 1 51 LEU QD 1 79 TYR CG . . 9.570 3.442 2.886 4.029 . 0 0 "[ . 1 .]" 1
671 1 51 LEU QD 1 79 TYR CZ . . 9.570 3.653 3.148 4.807 . 0 0 "[ . 1 .]" 1
672 1 51 LEU QD 1 80 THR H . . 7.570 3.540 3.105 3.922 . 0 0 "[ . 1 .]" 1
673 1 51 LEU QD 1 81 ILE HA . . 7.570 3.062 2.650 3.970 . 0 0 "[ . 1 .]" 1
674 1 51 LEU O 1 55 ALA H . . 2.500 1.887 1.769 2.132 . 0 0 "[ . 1 .]" 1
675 1 51 LEU O 1 55 ALA N . . 3.500 2.839 2.644 3.093 . 0 0 "[ . 1 .]" 1
676 1 52 LYS H 1 52 LYS QB . . 3.810 2.128 1.933 2.468 . 0 0 "[ . 1 .]" 1
677 1 52 LYS H 1 52 LYS QD . . 6.000 4.219 3.773 4.620 . 0 0 "[ . 1 .]" 1
678 1 52 LYS H 1 52 LYS HG2 . . 5.000 4.151 3.383 4.655 . 0 0 "[ . 1 .]" 1
679 1 52 LYS H 1 52 LYS HG3 . . 5.000 3.826 2.260 4.426 . 0 0 "[ . 1 .]" 1
680 1 52 LYS H 1 53 GLY H . . 3.500 2.848 2.616 2.998 . 0 0 "[ . 1 .]" 1
681 1 52 LYS H 1 54 ILE H . . 4.500 4.099 3.970 4.189 . 0 0 "[ . 1 .]" 1
682 1 52 LYS H 1 55 ALA H . . 6.000 4.859 4.740 5.034 . 0 0 "[ . 1 .]" 1
683 1 52 LYS H 1 55 ALA MB . . 7.000 4.719 4.402 4.922 . 0 0 "[ . 1 .]" 1
684 1 52 LYS H 1 85 ILE MD . . 7.000 5.479 4.812 5.896 . 0 0 "[ . 1 .]" 1
685 1 52 LYS HA 1 54 ILE H . . 4.900 4.377 4.209 4.598 . 0 0 "[ . 1 .]" 1
686 1 52 LYS HA 1 55 ALA H . . 3.900 3.832 3.633 3.940 0.040 10 0 "[ . 1 .]" 1
687 1 52 LYS HA 1 55 ALA MB . . 3.500 2.816 2.710 2.983 . 0 0 "[ . 1 .]" 1
688 1 52 LYS QB 1 53 GLY H . . 3.910 2.344 2.064 2.520 . 0 0 "[ . 1 .]" 1
689 1 52 LYS HB2 1 53 GLY H . . 4.200 3.266 2.363 3.819 . 0 0 "[ . 1 .]" 1
690 1 52 LYS HB3 1 53 GLY H . . 4.200 2.564 2.080 3.427 . 0 0 "[ . 1 .]" 1
691 1 52 LYS QE 1 83 LEU HA . . 6.000 3.970 2.951 5.596 . 0 0 "[ . 1 .]" 1
692 1 52 LYS O 1 56 ARG H . . 2.500 2.090 1.909 2.382 . 0 0 "[ . 1 .]" 1
693 1 52 LYS O 1 56 ARG N . . 3.500 3.017 2.876 3.286 . 0 0 "[ . 1 .]" 1
694 1 53 GLY H 1 54 ILE H . . 3.700 2.725 2.641 2.828 . 0 0 "[ . 1 .]" 1
695 1 53 GLY H 1 54 ILE MD . . 7.000 5.082 3.885 5.326 . 0 0 "[ . 1 .]" 1
696 1 53 GLY H 1 54 ILE QG . . 6.880 4.628 4.343 5.834 . 0 0 "[ . 1 .]" 1
697 1 53 GLY H 1 54 ILE MG . . 7.000 5.804 5.693 5.921 . 0 0 "[ . 1 .]" 1
698 1 53 GLY H 1 55 ALA MB . . 7.000 5.049 4.888 5.178 . 0 0 "[ . 1 .]" 1
699 1 53 GLY HA2 1 55 ALA H . . 6.000 5.192 4.982 5.392 . 0 0 "[ . 1 .]" 1
700 1 53 GLY HA3 1 55 ALA H . . 6.000 5.292 5.217 5.367 . 0 0 "[ . 1 .]" 1
701 1 54 ILE H 1 54 ILE HG12 . . 5.000 3.731 3.547 4.057 . 0 0 "[ . 1 .]" 1
702 1 54 ILE H 1 54 ILE QG . . 4.630 2.463 2.240 3.583 . 0 0 "[ . 1 .]" 1
703 1 54 ILE H 1 54 ILE HG13 . . 5.000 2.517 2.265 3.989 . 0 0 "[ . 1 .]" 1
704 1 54 ILE H 1 55 ALA H . . 5.000 2.901 2.688 3.024 . 0 0 "[ . 1 .]" 1
705 1 54 ILE HA 1 54 ILE QG . . 3.800 2.379 2.278 2.470 . 0 0 "[ . 1 .]" 1
706 1 54 ILE HA 1 57 GLY H . . 4.400 3.623 3.243 3.797 . 0 0 "[ . 1 .]" 1
707 1 54 ILE HB 1 55 ALA H . . 3.400 2.264 2.112 2.490 . 0 0 "[ . 1 .]" 1
708 1 54 ILE MD 1 55 ALA H . . 7.000 4.236 4.039 4.419 . 0 0 "[ . 1 .]" 1
709 1 54 ILE QG 1 55 ALA H . . 5.880 4.099 3.999 4.403 . 0 0 "[ . 1 .]" 1
710 1 54 ILE MG 1 55 ALA H . . 4.800 2.504 2.421 2.635 . 0 0 "[ . 1 .]" 1
711 1 54 ILE MG 1 55 ALA HA . . 3.400 2.916 2.877 2.973 . 0 0 "[ . 1 .]" 1
712 1 54 ILE MG 1 55 ALA MB . . 5.000 3.440 3.256 3.519 . 0 0 "[ . 1 .]" 1
713 1 55 ALA H 1 55 ALA MB . . 2.800 2.199 2.172 2.223 . 0 0 "[ . 1 .]" 1
714 1 55 ALA H 1 56 ARG H . . 5.000 2.879 2.807 2.933 . 0 0 "[ . 1 .]" 1
715 1 55 ALA H 1 57 GLY H . . 6.000 4.345 4.215 4.435 . 0 0 "[ . 1 .]" 1
716 1 55 ALA H 1 58 ILE MD . . 7.000 4.127 3.744 4.879 . 0 0 "[ . 1 .]" 1
717 1 55 ALA H 1 58 ILE QG . . 6.880 4.254 3.837 4.557 . 0 0 "[ . 1 .]" 1
718 1 55 ALA H 1 61 LEU QD . . 8.400 4.332 3.806 5.379 . 0 0 "[ . 1 .]" 1
719 1 55 ALA HA 1 58 ILE H . . 4.000 3.589 3.158 4.053 0.053 3 0 "[ . 1 .]" 1
720 1 55 ALA HA 1 58 ILE HB . . 5.000 3.080 2.590 3.693 . 0 0 "[ . 1 .]" 1
721 1 55 ALA HA 1 58 ILE MD . . 6.000 2.536 2.008 3.552 . 0 0 "[ . 1 .]" 1
722 1 55 ALA HA 1 58 ILE HG12 . . 4.500 3.737 2.205 4.509 0.009 10 0 "[ . 1 .]" 1
723 1 55 ALA HA 1 58 ILE QG . . 3.980 2.552 1.918 2.999 . 0 0 "[ . 1 .]" 1
724 1 55 ALA HA 1 58 ILE HG13 . . 4.500 2.627 2.062 3.045 . 0 0 "[ . 1 .]" 1
725 1 55 ALA HA 1 61 LEU QD . . 7.400 2.512 1.903 3.799 . 0 0 "[ . 1 .]" 1
726 1 55 ALA MB 1 56 ARG H . . 4.200 2.479 2.260 2.831 . 0 0 "[ . 1 .]" 1
727 1 55 ALA MB 1 57 GLY H . . 7.000 4.383 4.293 4.490 . 0 0 "[ . 1 .]" 1
728 1 55 ALA MB 1 61 LEU QD . . 6.900 2.072 1.844 2.455 . 0 0 "[ . 1 .]" 1
729 1 55 ALA MB 1 81 ILE HA . . 6.000 2.913 2.041 4.924 . 0 0 "[ . 1 .]" 1
730 1 55 ALA MB 1 82 SER H . . 5.300 3.300 2.649 3.905 . 0 0 "[ . 1 .]" 1
731 1 55 ALA MB 1 82 SER HA . . 5.100 3.084 1.907 3.800 . 0 0 "[ . 1 .]" 1
732 1 55 ALA MB 1 83 LEU H . . 6.000 4.425 3.018 4.968 . 0 0 "[ . 1 .]" 1
733 1 55 ALA MB 1 83 LEU HA . . 6.000 4.758 4.098 5.017 . 0 0 "[ . 1 .]" 1
734 1 56 ARG H 1 56 ARG HD2 . . 6.000 5.022 3.631 6.033 0.033 4 0 "[ . 1 .]" 1
735 1 56 ARG H 1 56 ARG HD3 . . 6.000 4.859 4.237 5.882 . 0 0 "[ . 1 .]" 1
736 1 56 ARG H 1 56 ARG HG2 . . 5.000 4.477 4.325 4.717 . 0 0 "[ . 1 .]" 1
737 1 56 ARG H 1 56 ARG HG3 . . 5.000 4.424 3.883 4.595 . 0 0 "[ . 1 .]" 1
738 1 56 ARG H 1 57 GLY H . . 3.700 2.791 2.356 2.897 . 0 0 "[ . 1 .]" 1
739 1 56 ARG H 1 58 ILE H . . 5.000 4.276 3.875 4.753 . 0 0 "[ . 1 .]" 1
740 1 56 ARG H 1 58 ILE MD . . 7.000 5.180 4.966 5.752 . 0 0 "[ . 1 .]" 1
741 1 56 ARG H 1 83 LEU MD1 . . 6.000 4.130 3.144 4.977 . 0 0 "[ . 1 .]" 1
742 1 56 ARG H 1 83 LEU MD2 . . 6.000 4.113 3.257 5.010 . 0 0 "[ . 1 .]" 1
743 1 56 ARG H 1 83 LEU HG . . 6.000 5.296 4.842 5.816 . 0 0 "[ . 1 .]" 1
744 1 56 ARG HA 1 58 ILE H . . 6.000 4.009 3.661 4.348 . 0 0 "[ . 1 .]" 1
745 1 56 ARG QG 1 57 GLY H . . 5.880 4.148 3.648 4.557 . 0 0 "[ . 1 .]" 1
746 1 57 GLY H 1 58 ILE H . . 3.400 2.489 2.181 2.899 . 0 0 "[ . 1 .]" 1
747 1 57 GLY H 1 58 ILE MD . . 7.000 4.538 3.746 4.899 . 0 0 "[ . 1 .]" 1
748 1 57 GLY H 1 58 ILE HG12 . . 6.000 4.418 2.788 5.184 . 0 0 "[ . 1 .]" 1
749 1 57 GLY H 1 58 ILE HG13 . . 6.000 3.781 3.093 4.866 . 0 0 "[ . 1 .]" 1
750 1 57 GLY H 1 58 ILE MG . . 7.000 5.597 5.303 5.780 . 0 0 "[ . 1 .]" 1
751 1 58 ILE H 1 58 ILE HB . . 3.100 2.627 2.530 2.719 . 0 0 "[ . 1 .]" 1
752 1 58 ILE H 1 58 ILE HG12 . . 3.800 3.134 2.079 3.745 . 0 0 "[ . 1 .]" 1
753 1 58 ILE H 1 58 ILE QG . . 3.450 2.248 2.018 2.684 . 0 0 "[ . 1 .]" 1
754 1 58 ILE H 1 58 ILE HG13 . . 3.800 2.646 2.037 3.833 0.033 11 0 "[ . 1 .]" 1
755 1 58 ILE H 1 59 HIS H . . 6.000 4.086 2.003 4.665 . 0 0 "[ . 1 .]" 1
756 1 58 ILE HB 1 61 LEU H . . 6.000 4.448 3.535 5.192 . 0 0 "[ . 1 .]" 1
757 1 58 ILE HB 1 61 LEU QD . . 7.400 2.656 2.117 3.217 . 0 0 "[ . 1 .]" 1
758 1 58 ILE MD 1 61 LEU H . . 7.000 5.579 4.231 5.897 . 0 0 "[ . 1 .]" 1
759 1 58 ILE MD 1 62 ASN H . . 7.000 5.429 4.545 5.925 . 0 0 "[ . 1 .]" 1
760 1 58 ILE MG 1 59 HIS H . . 6.000 2.700 1.881 3.560 . 0 0 "[ . 1 .]" 1
761 1 58 ILE MG 1 60 ASN H . . 5.200 2.636 2.145 3.185 . 0 0 "[ . 1 .]" 1
762 1 58 ILE MG 1 60 ASN QB . . 5.880 3.849 3.262 4.440 . 0 0 "[ . 1 .]" 1
763 1 58 ILE MG 1 61 LEU H . . 6.000 3.296 2.649 4.040 . 0 0 "[ . 1 .]" 1
764 1 58 ILE MG 1 61 LEU HA . . 3.700 2.710 2.098 3.109 . 0 0 "[ . 1 .]" 1
765 1 58 ILE MG 1 61 LEU HB2 . . 7.000 2.964 2.214 3.907 . 0 0 "[ . 1 .]" 1
766 1 58 ILE MG 1 62 ASN H . . 7.000 4.464 3.773 4.942 . 0 0 "[ . 1 .]" 1
767 1 60 ASN H 1 61 LEU H . . 4.000 3.622 3.252 3.949 . 0 0 "[ . 1 .]" 1
768 1 60 ASN HA 1 61 LEU H . . 3.400 2.432 2.288 2.789 . 0 0 "[ . 1 .]" 1
769 1 60 ASN HA 1 61 LEU HB3 . . 6.000 5.013 4.700 5.731 . 0 0 "[ . 1 .]" 1
770 1 60 ASN HB2 1 61 LEU H . . 5.000 4.595 4.240 4.752 . 0 0 "[ . 1 .]" 1
771 1 60 ASN HB3 1 61 LEU H . . 5.000 4.489 4.321 4.740 . 0 0 "[ . 1 .]" 1
772 1 61 LEU H 1 61 LEU HB3 . . 3.200 2.661 2.221 3.417 0.217 9 0 "[ . 1 .]" 1
773 1 61 LEU H 1 61 LEU HG . . 5.000 4.048 1.797 4.619 . 0 0 "[ . 1 .]" 1
774 1 61 LEU H 1 62 ASN H . . 5.000 4.601 4.429 4.670 . 0 0 "[ . 1 .]" 1
775 1 61 LEU HA 1 61 LEU HG . . 3.500 2.660 2.192 3.591 0.091 6 0 "[ . 1 .]" 1
776 1 61 LEU HB3 1 62 ASN H . . 6.000 3.824 2.560 4.321 . 0 0 "[ . 1 .]" 1
777 1 61 LEU QD 1 62 ASN H . . 7.400 2.579 1.774 3.364 . 0 0 "[ . 1 .]" 1
778 1 61 LEU QD 1 64 ASP H . . 8.400 5.255 4.631 6.317 . 0 0 "[ . 1 .]" 1
779 1 61 LEU QD 1 66 ALA H . . 7.400 4.578 3.812 5.593 . 0 0 "[ . 1 .]" 1
780 1 61 LEU QD 1 82 SER HA . . 7.400 2.531 1.946 3.228 . 0 0 "[ . 1 .]" 1
781 1 61 LEU HG 1 62 ASN H . . 4.000 3.140 2.077 4.048 0.048 9 0 "[ . 1 .]" 1
782 1 62 ASN H 1 62 ASN HB2 . . 3.600 2.841 2.410 2.991 . 0 0 "[ . 1 .]" 1
783 1 62 ASN H 1 62 ASN HB3 . . 3.400 2.648 2.531 2.928 . 0 0 "[ . 1 .]" 1
784 1 62 ASN H 1 62 ASN HD21 . . 6.000 5.042 4.927 5.175 . 0 0 "[ . 1 .]" 1
785 1 62 ASN H 1 62 ASN HD22 . . 6.000 5.984 5.938 6.022 0.022 9 0 "[ . 1 .]" 1
786 1 62 ASN H 1 63 GLU H . . 5.000 4.202 3.934 4.470 . 0 0 "[ . 1 .]" 1
787 1 62 ASN H 1 66 ALA MB . . 7.000 4.451 4.131 4.712 . 0 0 "[ . 1 .]" 1
788 1 62 ASN HA 1 63 GLU H . . 2.800 2.188 2.139 2.265 . 0 0 "[ . 1 .]" 1
789 1 62 ASN HA 1 64 ASP H . . 4.000 3.691 3.479 3.881 . 0 0 "[ . 1 .]" 1
790 1 62 ASN HB2 1 62 ASN QD . . 3.470 2.426 2.154 3.122 . 0 0 "[ . 1 .]" 1
791 1 62 ASN HB2 1 62 ASN HD22 . . 4.000 3.584 3.447 3.864 . 0 0 "[ . 1 .]" 1
792 1 62 ASN HB2 1 65 ASN QD . . 6.870 3.427 2.612 4.203 . 0 0 "[ . 1 .]" 1
793 1 62 ASN HB3 1 65 ASN QD . . 6.870 2.778 2.011 3.620 . 0 0 "[ . 1 .]" 1
794 1 62 ASN QD 1 64 ASP H . . 6.870 3.985 3.388 4.364 . 0 0 "[ . 1 .]" 1
795 1 62 ASN HD21 1 63 GLU H . . 6.000 5.340 4.687 5.949 . 0 0 "[ . 1 .]" 1
796 1 62 ASN HD21 1 65 ASN H . . 6.000 4.110 2.394 4.772 . 0 0 "[ . 1 .]" 1
797 1 62 ASN HD22 1 63 GLU H . . 6.000 5.264 4.805 5.806 . 0 0 "[ . 1 .]" 1
798 1 62 ASN HD22 1 65 ASN H . . 6.000 3.641 2.604 4.040 . 0 0 "[ . 1 .]" 1
799 1 62 ASN O 1 66 ALA H . . 2.500 2.242 1.947 2.476 . 0 0 "[ . 1 .]" 1
800 1 62 ASN O 1 66 ALA N . . 3.500 3.212 2.933 3.433 . 0 0 "[ . 1 .]" 1
801 1 63 GLU H 1 63 GLU HG2 . . 5.000 3.782 2.066 4.701 . 0 0 "[ . 1 .]" 1
802 1 63 GLU H 1 63 GLU HG3 . . 5.000 3.802 2.141 4.606 . 0 0 "[ . 1 .]" 1
803 1 63 GLU H 1 64 ASP H . . 3.600 2.549 2.367 2.703 . 0 0 "[ . 1 .]" 1
804 1 63 GLU HA 1 65 ASN H . . 4.400 4.364 4.278 4.419 0.019 12 0 "[ . 1 .]" 1
805 1 63 GLU HA 1 66 ALA H . . 3.600 3.429 3.277 3.519 . 0 0 "[ . 1 .]" 1
806 1 63 GLU HA 1 66 ALA MB . . 2.900 2.330 2.162 2.466 . 0 0 "[ . 1 .]" 1
807 1 63 GLU HA 1 67 ARG H . . 4.900 3.769 3.596 4.003 . 0 0 "[ . 1 .]" 1
808 1 63 GLU HB2 1 64 ASP H . . 4.100 3.518 2.783 4.084 . 0 0 "[ . 1 .]" 1
809 1 63 GLU HB3 1 64 ASP H . . 4.100 3.320 2.671 4.104 0.004 3 0 "[ . 1 .]" 1
810 1 63 GLU QG 1 64 ASP H . . 6.880 3.802 2.153 4.660 . 0 0 "[ . 1 .]" 1
811 1 63 GLU O 1 67 ARG H . . 2.500 1.955 1.823 2.190 . 0 0 "[ . 1 .]" 1
812 1 63 GLU O 1 67 ARG N . . 3.500 2.903 2.780 3.075 . 0 0 "[ . 1 .]" 1
813 1 64 ASP H 1 64 ASP HB2 . . 3.200 2.595 2.237 2.777 . 0 0 "[ . 1 .]" 1
814 1 64 ASP H 1 64 ASP HB3 . . 3.900 2.532 2.165 3.019 . 0 0 "[ . 1 .]" 1
815 1 64 ASP H 1 65 ASN H . . 3.500 2.838 2.588 2.987 . 0 0 "[ . 1 .]" 1
816 1 64 ASP H 1 66 ALA MB . . 7.000 4.712 4.534 4.923 . 0 0 "[ . 1 .]" 1
817 1 64 ASP H 1 67 ARG H . . 6.000 4.844 4.773 4.943 . 0 0 "[ . 1 .]" 1
818 1 64 ASP HA 1 67 ARG H . . 4.000 3.989 3.885 4.030 0.030 1 0 "[ . 1 .]" 1
819 1 64 ASP HA 1 67 ARG HB3 . . 5.000 3.461 2.977 5.280 0.280 13 0 "[ . 1 .]" 1
820 1 64 ASP HB2 1 65 ASN H . . 5.000 3.827 3.498 4.040 . 0 0 "[ . 1 .]" 1
821 1 64 ASP HB3 1 65 ASN H . . 4.200 2.564 2.390 2.780 . 0 0 "[ . 1 .]" 1
822 1 64 ASP O 1 68 SER H . . 2.500 2.377 2.054 2.535 0.035 13 0 "[ . 1 .]" 1
823 1 64 ASP O 1 68 SER N . . 3.500 3.042 2.790 3.171 . 0 0 "[ . 1 .]" 1
824 1 65 ASN H 1 65 ASN QB . . 3.680 2.316 2.266 2.377 . 0 0 "[ . 1 .]" 1
825 1 65 ASN H 1 65 ASN HD21 . . 6.000 3.805 3.277 4.635 . 0 0 "[ . 1 .]" 1
826 1 65 ASN H 1 65 ASN HD22 . . 6.000 4.242 3.818 4.747 . 0 0 "[ . 1 .]" 1
827 1 65 ASN H 1 66 ALA H . . 3.900 2.648 2.557 2.790 . 0 0 "[ . 1 .]" 1
828 1 65 ASN H 1 68 SER H . . 6.000 4.546 4.411 4.645 . 0 0 "[ . 1 .]" 1
829 1 65 ASN HA 1 68 SER H . . 5.000 3.093 2.990 3.227 . 0 0 "[ . 1 .]" 1
830 1 65 ASN QB 1 66 ALA H . . 4.270 2.477 2.357 2.624 . 0 0 "[ . 1 .]" 1
831 1 65 ASN HB2 1 66 ALA H . . 5.000 2.541 2.406 2.736 . 0 0 "[ . 1 .]" 1
832 1 65 ASN HB3 1 66 ALA H . . 5.000 3.457 3.314 3.613 . 0 0 "[ . 1 .]" 1
833 1 65 ASN O 1 69 ILE H . . 2.500 2.497 2.353 2.545 0.045 11 0 "[ . 1 .]" 1
834 1 65 ASN O 1 69 ILE N . . 3.500 3.079 3.053 3.121 . 0 0 "[ . 1 .]" 1
835 1 66 ALA H 1 66 ALA MB . . 2.800 2.262 2.129 2.337 . 0 0 "[ . 1 .]" 1
836 1 66 ALA H 1 67 ARG H . . 3.700 2.862 2.791 2.951 . 0 0 "[ . 1 .]" 1
837 1 66 ALA HA 1 68 SER H . . 5.000 4.164 4.037 4.327 . 0 0 "[ . 1 .]" 1
838 1 66 ALA HA 1 69 ILE H . . 4.800 3.949 3.804 4.097 . 0 0 "[ . 1 .]" 1
839 1 66 ALA MB 1 67 ARG H . . 4.200 2.368 2.296 2.443 . 0 0 "[ . 1 .]" 1
840 1 66 ALA MB 1 68 SER H . . 7.000 4.204 4.156 4.276 . 0 0 "[ . 1 .]" 1
841 1 66 ALA MB 1 81 ILE H . . 6.000 2.950 2.234 3.984 . 0 0 "[ . 1 .]" 1
842 1 67 ARG H 1 67 ARG HB2 . . 3.900 2.383 2.064 2.775 . 0 0 "[ . 1 .]" 1
843 1 67 ARG H 1 67 ARG HB3 . . 3.300 2.546 2.069 3.683 0.383 13 0 "[ . 1 .]" 1
844 1 67 ARG H 1 67 ARG HG2 . . 5.000 4.275 3.242 4.540 . 0 0 "[ . 1 .]" 1
845 1 67 ARG H 1 67 ARG QG . . 4.350 3.777 2.321 3.977 . 0 0 "[ . 1 .]" 1
846 1 67 ARG H 1 67 ARG HG3 . . 5.000 4.247 2.378 4.538 . 0 0 "[ . 1 .]" 1
847 1 67 ARG H 1 68 SER H . . 3.600 2.431 2.358 2.536 . 0 0 "[ . 1 .]" 1
848 1 67 ARG H 1 69 ILE H . . 5.000 4.134 4.072 4.187 . 0 0 "[ . 1 .]" 1
849 1 67 ARG H 1 80 THR MG . . 6.000 3.877 3.203 5.020 . 0 0 "[ . 1 .]" 1
850 1 67 ARG HA 1 80 THR MG . . 6.000 3.127 2.632 4.253 . 0 0 "[ . 1 .]" 1
851 1 67 ARG HB2 1 68 SER H . . 5.000 3.890 3.301 4.053 . 0 0 "[ . 1 .]" 1
852 1 67 ARG HB3 1 68 SER H . . 4.000 3.092 2.817 4.167 0.167 13 0 "[ . 1 .]" 1
853 1 68 SER H 1 68 SER QB . . 3.810 2.300 2.045 2.391 . 0 0 "[ . 1 .]" 1
854 1 68 SER H 1 69 ILE H . . 3.500 2.566 2.447 2.682 . 0 0 "[ . 1 .]" 1
855 1 68 SER H 1 70 PRO QG . . 6.880 5.043 4.938 5.248 . 0 0 "[ . 1 .]" 1
856 1 68 SER H 1 71 PRO QD . . 7.000 4.332 4.201 4.455 . 0 0 "[ . 1 .]" 1
857 1 68 SER H 1 71 PRO QG . . 6.880 4.469 4.340 4.536 . 0 0 "[ . 1 .]" 1
858 1 68 SER HA 1 71 PRO HB2 . . 5.000 4.509 4.292 4.626 . 0 0 "[ . 1 .]" 1
859 1 68 SER HA 1 71 PRO QB . . 4.820 4.086 3.940 4.197 . 0 0 "[ . 1 .]" 1
860 1 68 SER HA 1 71 PRO HB3 . . 5.000 4.675 4.577 4.809 . 0 0 "[ . 1 .]" 1
861 1 68 SER HA 1 71 PRO QD . . 5.400 2.897 2.829 3.033 . 0 0 "[ . 1 .]" 1
862 1 68 SER HA 1 71 PRO HG2 . . 5.000 2.476 2.204 2.607 . 0 0 "[ . 1 .]" 1
863 1 68 SER HA 1 71 PRO QG . . 4.350 2.112 1.982 2.218 . 0 0 "[ . 1 .]" 1
864 1 68 SER HA 1 71 PRO HG3 . . 5.000 2.299 2.133 2.440 . 0 0 "[ . 1 .]" 1
865 1 68 SER QB 1 72 LYS QE . . 6.820 4.658 3.023 5.421 . 0 0 "[ . 1 .]" 1
866 1 68 SER HB2 1 72 LYS HE2 . . 7.750 6.530 4.646 7.859 0.109 3 0 "[ . 1 .]" 1
867 1 68 SER HB2 1 72 LYS HE3 . . 7.750 6.532 4.369 7.794 0.044 11 0 "[ . 1 .]" 1
868 1 68 SER HB3 1 72 LYS HE2 . . 7.750 5.675 3.359 7.128 . 0 0 "[ . 1 .]" 1
869 1 68 SER HB3 1 72 LYS HE3 . . 7.750 5.623 3.730 6.888 . 0 0 "[ . 1 .]" 1
870 1 69 ILE H 1 69 ILE HG12 . . 4.200 3.745 3.527 3.834 . 0 0 "[ . 1 .]" 1
871 1 69 ILE H 1 69 ILE QG . . 3.500 2.361 2.143 2.522 . 0 0 "[ . 1 .]" 1
872 1 69 ILE H 1 69 ILE HG13 . . 4.200 2.387 2.161 2.558 . 0 0 "[ . 1 .]" 1
873 1 69 ILE H 1 70 PRO QB . . 6.850 5.190 5.094 5.342 . 0 0 "[ . 1 .]" 1
874 1 69 ILE H 1 70 PRO QD . . 4.500 1.963 1.871 2.129 . 0 0 "[ . 1 .]" 1
875 1 69 ILE H 1 70 PRO QG . . 6.880 3.878 3.779 4.037 . 0 0 "[ . 1 .]" 1
876 1 69 ILE H 1 71 PRO QD . . 6.000 3.034 2.847 3.228 . 0 0 "[ . 1 .]" 1
877 1 69 ILE H 1 71 PRO QG . . 6.880 4.115 3.987 4.259 . 0 0 "[ . 1 .]" 1
878 1 69 ILE H 1 72 LYS H . . 6.000 5.320 4.852 5.770 . 0 0 "[ . 1 .]" 1
879 1 69 ILE HA 1 69 ILE QG . . 3.800 2.426 2.299 2.588 . 0 0 "[ . 1 .]" 1
880 1 69 ILE HB 1 69 ILE MD . . 3.700 2.259 2.170 2.368 . 0 0 "[ . 1 .]" 1
881 1 69 ILE MG 1 70 PRO HA . . 6.000 3.195 3.106 3.494 . 0 0 "[ . 1 .]" 1
882 1 69 ILE MG 1 70 PRO QD . . 7.000 2.605 2.347 3.001 . 0 0 "[ . 1 .]" 1
883 1 70 PRO HA 1 77 LEU QD . . 7.570 4.229 3.996 4.375 . 0 0 "[ . 1 .]" 1
884 1 70 PRO QB 1 77 LEU H . . 3.530 1.857 1.816 1.946 . 0 0 "[ . 1 .]" 1
885 1 70 PRO QB 1 77 LEU HB2 . . 4.720 2.741 2.645 2.817 . 0 0 "[ . 1 .]" 1
886 1 70 PRO QB 1 77 LEU QD . . 9.450 3.412 3.289 3.583 . 0 0 "[ . 1 .]" 1
887 1 70 PRO QB 1 77 LEU HG . . 5.880 5.364 5.317 5.395 . 0 0 "[ . 1 .]" 1
888 1 70 PRO HB2 1 77 LEU H . . 4.100 2.617 2.474 2.823 . 0 0 "[ . 1 .]" 1
889 1 70 PRO HB2 1 77 LEU HB2 . . 5.000 4.273 4.112 4.375 . 0 0 "[ . 1 .]" 1
890 1 70 PRO HB3 1 77 LEU H . . 4.100 1.901 1.852 2.002 . 0 0 "[ . 1 .]" 1
891 1 70 PRO HB3 1 77 LEU HB2 . . 5.000 2.774 2.678 2.853 . 0 0 "[ . 1 .]" 1
892 1 70 PRO QD 1 71 PRO QG . . 6.880 3.971 3.864 4.031 . 0 0 "[ . 1 .]" 1
893 1 70 PRO QG 1 77 LEU H . . 6.880 3.247 2.612 3.761 . 0 0 "[ . 1 .]" 1
894 1 70 PRO QG 1 77 LEU HB2 . . 5.880 3.560 2.973 3.845 . 0 0 "[ . 1 .]" 1
895 1 71 PRO HA 1 74 GLY H . . 5.000 3.897 3.520 4.600 . 0 0 "[ . 1 .]" 1
896 1 71 PRO QB 1 72 LYS H . . 4.080 2.930 2.429 3.608 . 0 0 "[ . 1 .]" 1
897 1 71 PRO QD 1 72 LYS H . . 5.300 3.061 2.818 3.364 . 0 0 "[ . 1 .]" 1
898 1 72 LYS H 1 72 LYS QD . . 4.900 3.942 3.348 4.590 . 0 0 "[ . 1 .]" 1
899 1 72 LYS H 1 72 LYS HG2 . . 5.000 2.453 1.942 3.942 . 0 0 "[ . 1 .]" 1
900 1 72 LYS H 1 72 LYS HG3 . . 3.900 3.156 2.105 4.266 0.366 1 0 "[ . 1 .]" 1
901 1 72 LYS QB 1 73 CYS H . . 4.680 3.302 2.365 3.501 . 0 0 "[ . 1 .]" 1
902 1 72 LYS QB 1 73 CYS HB2 . . 5.880 4.654 3.923 4.843 . 0 0 "[ . 1 .]" 1
903 1 72 LYS HG2 1 73 CYS H . . 6.000 2.796 2.270 3.891 . 0 0 "[ . 1 .]" 1
904 1 72 LYS HG2 1 73 CYS HB2 . . 5.000 3.964 3.359 4.684 . 0 0 "[ . 1 .]" 1
905 1 73 CYS H 1 73 CYS HB2 . . 3.100 2.234 1.955 2.672 . 0 0 "[ . 1 .]" 1
906 1 73 CYS H 1 73 CYS HB3 . . 4.000 2.495 2.361 3.240 . 0 0 "[ . 1 .]" 1
907 1 73 CYS H 1 74 GLY H . . 5.000 2.784 2.504 2.940 . 0 0 "[ . 1 .]" 1
908 1 73 CYS HB2 1 74 GLY HA3 . . 6.000 5.799 5.161 5.878 . 0 0 "[ . 1 .]" 1
909 1 73 CYS HB2 1 75 VAL H . . 4.800 4.403 3.746 4.492 . 0 0 "[ . 1 .]" 1
910 1 73 CYS HB2 1 75 VAL MG1 . . 7.000 4.666 3.896 5.117 . 0 0 "[ . 1 .]" 1
911 1 73 CYS HB2 1 75 VAL MG2 . . 7.000 3.705 2.390 4.362 . 0 0 "[ . 1 .]" 1
912 1 73 CYS HB3 1 75 VAL H . . 4.400 2.852 2.720 4.047 . 0 0 "[ . 1 .]" 1
913 1 73 CYS HB3 1 75 VAL MG1 . . 6.000 3.736 2.773 5.019 . 0 0 "[ . 1 .]" 1
914 1 73 CYS HB3 1 75 VAL MG2 . . 6.000 2.643 2.295 3.391 . 0 0 "[ . 1 .]" 1
915 1 74 GLY H 1 75 VAL HB . . 6.000 5.218 3.676 5.816 . 0 0 "[ . 1 .]" 1
916 1 74 GLY H 1 75 VAL MG1 . . 6.000 4.092 3.291 5.105 . 0 0 "[ . 1 .]" 1
917 1 74 GLY H 1 75 VAL MG2 . . 6.000 3.373 2.700 3.978 . 0 0 "[ . 1 .]" 1
918 1 75 VAL H 1 75 VAL HB . . 3.600 3.357 2.372 3.721 0.121 5 0 "[ . 1 .]" 1
919 1 75 VAL H 1 76 ASN H . . 6.000 1.993 1.857 2.151 . 0 0 "[ . 1 .]" 1
920 1 75 VAL H 1 77 LEU H . . 6.000 5.178 4.846 5.410 . 0 0 "[ . 1 .]" 1
921 1 75 VAL HA 1 76 ASN HB3 . . 4.400 4.510 4.374 4.756 0.356 7 0 "[ . 1 .]" 1
922 1 75 VAL HB 1 76 ASN H . . 6.000 3.602 2.631 4.025 . 0 0 "[ . 1 .]" 1
923 1 75 VAL HB 1 77 LEU H . . 6.000 5.059 4.161 5.856 . 0 0 "[ . 1 .]" 1
924 1 75 VAL QG 1 77 LEU HA . . 7.560 3.890 3.459 4.376 . 0 0 "[ . 1 .]" 1
925 1 75 VAL MG1 1 76 ASN H . . 6.000 3.730 3.039 4.009 . 0 0 "[ . 1 .]" 1
926 1 75 VAL MG2 1 76 ASN H . . 6.000 2.776 2.211 4.091 . 0 0 "[ . 1 .]" 1
927 1 76 ASN H 1 76 ASN HB2 . . 3.700 3.002 2.865 3.135 . 0 0 "[ . 1 .]" 1
928 1 76 ASN H 1 77 LEU H . . 6.000 3.449 3.195 3.673 . 0 0 "[ . 1 .]" 1
929 1 76 ASN H 1 77 LEU QD . . 8.570 4.314 4.119 4.444 . 0 0 "[ . 1 .]" 1
930 1 76 ASN QD 1 77 LEU H . . 4.570 4.102 3.904 4.157 . 0 0 "[ . 1 .]" 1
931 1 77 LEU H 1 77 LEU HB2 . . 3.700 2.265 2.191 2.340 . 0 0 "[ . 1 .]" 1
932 1 77 LEU H 1 77 LEU HB3 . . 3.500 3.389 3.288 3.476 . 0 0 "[ . 1 .]" 1
933 1 77 LEU HA 1 78 PRO QD . . 3.550 2.012 1.884 2.137 . 0 0 "[ . 1 .]" 1
934 1 77 LEU HA 1 79 TYR CG . . 8.000 6.317 5.988 6.682 . 0 0 "[ . 1 .]" 1
935 1 77 LEU HA 1 79 TYR CZ . . 8.000 6.304 5.772 7.062 . 0 0 "[ . 1 .]" 1
936 1 77 LEU HA 1 79 TYR H . . 6.000 3.829 3.778 3.868 . 0 0 "[ . 1 .]" 1
937 1 77 LEU HB2 1 79 TYR H . . 3.600 3.645 3.631 3.660 0.060 5 0 "[ . 1 .]" 1
938 1 77 LEU HB3 1 79 TYR H . . 6.000 1.994 1.967 2.023 . 0 0 "[ . 1 .]" 1
939 1 77 LEU QD 1 79 TYR CG . . 6.850 4.080 3.763 4.424 . 0 0 "[ . 1 .]" 1
940 1 77 LEU QD 1 79 TYR CZ . . 7.030 3.815 3.378 4.380 . 0 0 "[ . 1 .]" 1
941 1 77 LEU QD 1 79 TYR H . . 4.940 3.338 3.217 3.520 . 0 0 "[ . 1 .]" 1
942 1 77 LEU QD 1 79 TYR QB . . 9.570 4.663 4.419 4.917 . 0 0 "[ . 1 .]" 1
943 1 77 LEU MD1 1 79 TYR CG . . 8.000 6.118 5.842 6.461 . 0 0 "[ . 1 .]" 1
944 1 77 LEU MD1 1 79 TYR CZ . . 8.000 5.459 5.151 6.288 . 0 0 "[ . 1 .]" 1
945 1 77 LEU MD1 1 79 TYR H . . 6.000 4.606 4.550 4.649 . 0 0 "[ . 1 .]" 1
946 1 77 LEU MD2 1 79 TYR CG . . 8.000 4.146 3.802 4.550 . 0 0 "[ . 1 .]" 1
947 1 77 LEU MD2 1 79 TYR CZ . . 8.000 3.904 3.417 4.469 . 0 0 "[ . 1 .]" 1
948 1 77 LEU MD2 1 79 TYR H . . 6.000 3.428 3.286 3.665 . 0 0 "[ . 1 .]" 1
949 1 77 LEU HG 1 79 TYR H . . 3.500 3.514 3.427 3.536 0.036 9 0 "[ . 1 .]" 1
950 1 78 PRO QB 1 79 TYR CG . . 7.880 4.355 3.803 5.024 . 0 0 "[ . 1 .]" 1
951 1 78 PRO QD 1 79 TYR CG . . 6.650 3.656 3.321 4.645 . 0 0 "[ . 1 .]" 1
952 1 78 PRO QD 1 79 TYR CZ . . 6.040 3.597 3.058 4.630 . 0 0 "[ . 1 .]" 1
953 1 78 PRO QD 1 79 TYR H . . 4.440 2.492 2.317 2.800 . 0 0 "[ . 1 .]" 1
954 1 78 PRO QD 1 85 ILE QG . . 7.750 6.140 5.851 6.244 . 0 0 "[ . 1 .]" 1
955 1 78 PRO HD2 1 79 TYR CG . . 7.000 3.723 3.367 4.816 . 0 0 "[ . 1 .]" 1
956 1 78 PRO HD2 1 79 TYR CZ . . 6.200 3.679 3.117 4.799 . 0 0 "[ . 1 .]" 1
957 1 78 PRO HD2 1 79 TYR H . . 5.000 2.534 2.353 2.860 . 0 0 "[ . 1 .]" 1
958 1 78 PRO HD3 1 79 TYR CG . . 7.000 5.389 5.061 6.100 . 0 0 "[ . 1 .]" 1
959 1 78 PRO HD3 1 79 TYR CZ . . 6.200 5.086 4.430 6.089 . 0 0 "[ . 1 .]" 1
960 1 78 PRO HD3 1 79 TYR H . . 5.000 3.686 3.479 3.993 . 0 0 "[ . 1 .]" 1
961 1 78 PRO QG 1 79 TYR CG . . 5.980 3.937 2.971 5.004 . 0 0 "[ . 1 .]" 1
962 1 78 PRO QG 1 79 TYR CZ . . 6.370 3.913 2.946 4.910 . 0 0 "[ . 1 .]" 1
963 1 78 PRO HG2 1 79 TYR CZ . . 7.000 4.034 3.015 5.088 . 0 0 "[ . 1 .]" 1
964 1 78 PRO HG3 1 79 TYR CZ . . 7.000 5.288 4.145 6.462 . 0 0 "[ . 1 .]" 1
965 1 79 TYR CG 1 80 THR HA . . 7.000 4.964 4.684 5.249 . 0 0 "[ . 1 .]" 1
966 1 79 TYR CG 1 80 THR HB . . 7.000 6.259 5.820 6.597 . 0 0 "[ . 1 .]" 1
967 1 79 TYR CG 1 87 CYS H . . 8.000 6.047 5.522 6.597 . 0 0 "[ . 1 .]" 1
968 1 79 TYR CG 1 90 VAL HB . . 6.400 6.136 4.847 6.417 0.017 5 0 "[ . 1 .]" 1
969 1 79 TYR CG 1 90 VAL MG1 . . 8.000 5.140 4.291 5.728 . 0 0 "[ . 1 .]" 1
970 1 79 TYR CG 1 90 VAL MG2 . . 8.000 5.084 4.330 5.769 . 0 0 "[ . 1 .]" 1
971 1 79 TYR CZ 1 80 THR HA . . 7.000 6.359 5.803 7.041 0.041 14 0 "[ . 1 .]" 1
972 1 79 TYR CZ 1 87 CYS H . . 8.000 7.788 7.380 8.116 0.116 11 0 "[ . 1 .]" 1
973 1 79 TYR CZ 1 90 VAL HB . . 6.900 6.602 5.893 6.952 0.052 12 0 "[ . 1 .]" 1
974 1 79 TYR CZ 1 90 VAL MG1 . . 8.000 6.211 5.098 6.726 . 0 0 "[ . 1 .]" 1
975 1 79 TYR CZ 1 90 VAL MG2 . . 8.000 5.463 4.258 6.280 . 0 0 "[ . 1 .]" 1
976 1 79 TYR H 1 80 THR HB . . 5.000 4.720 4.369 4.976 . 0 0 "[ . 1 .]" 1
977 1 79 TYR H 1 85 ILE MD . . 7.000 5.181 4.356 5.807 . 0 0 "[ . 1 .]" 1
978 1 79 TYR H 1 85 ILE MG . . 7.000 4.574 3.973 5.120 . 0 0 "[ . 1 .]" 1
979 1 79 TYR HA 1 85 ILE MD . . 6.000 3.018 2.210 3.683 . 0 0 "[ . 1 .]" 1
980 1 79 TYR HA 1 85 ILE MG . . 6.000 2.729 1.837 3.757 . 0 0 "[ . 1 .]" 1
981 1 79 TYR QB 1 80 THR H . . 4.400 2.839 2.246 3.661 . 0 0 "[ . 1 .]" 1
982 1 79 TYR QB 1 85 ILE H . . 7.000 4.952 4.371 5.682 . 0 0 "[ . 1 .]" 1
983 1 79 TYR QB 1 85 ILE MD . . 6.700 2.362 1.856 3.497 . 0 0 "[ . 1 .]" 1
984 1 79 TYR QB 1 85 ILE HG12 . . 7.000 2.553 2.021 3.511 . 0 0 "[ . 1 .]" 1
985 1 79 TYR QB 1 85 ILE HG13 . . 7.000 3.224 1.832 4.313 . 0 0 "[ . 1 .]" 1
986 1 79 TYR QB 1 90 VAL HB . . 7.000 5.427 3.698 5.810 . 0 0 "[ . 1 .]" 1
987 1 79 TYR QB 1 90 VAL MG1 . . 7.000 4.028 2.843 4.564 . 0 0 "[ . 1 .]" 1
988 1 79 TYR QB 1 90 VAL QG . . 6.280 3.694 2.785 4.107 . 0 0 "[ . 1 .]" 1
989 1 79 TYR QB 1 90 VAL MG2 . . 7.000 4.463 3.630 5.053 . 0 0 "[ . 1 .]" 1
990 1 80 THR H 1 80 THR MG . . 4.500 2.442 2.028 3.928 . 0 0 "[ . 1 .]" 1
991 1 80 THR H 1 85 ILE MD . . 4.700 2.798 2.015 3.811 . 0 0 "[ . 1 .]" 1
992 1 80 THR H 1 85 ILE QG . . 5.880 2.855 1.777 3.986 . 0 0 "[ . 1 .]" 1
993 1 80 THR HB 1 81 ILE H . . 5.000 3.538 3.391 4.002 . 0 0 "[ . 1 .]" 1
994 1 80 THR MG 1 81 ILE H . . 5.800 2.763 2.319 4.216 . 0 0 "[ . 1 .]" 1
995 1 80 THR MG 1 82 SER H . . 6.000 3.527 3.130 5.004 . 0 0 "[ . 1 .]" 1
996 1 81 ILE H 1 81 ILE HB . . 3.300 2.722 2.442 3.447 0.147 3 0 "[ . 1 .]" 1
997 1 81 ILE H 1 81 ILE HG12 . . 4.300 3.357 1.891 4.370 0.070 10 0 "[ . 1 .]" 1
998 1 81 ILE H 1 81 ILE QG . . 3.780 2.939 1.882 3.740 . 0 0 "[ . 1 .]" 1
999 1 81 ILE H 1 81 ILE HG13 . . 4.300 3.583 2.435 4.329 0.029 11 0 "[ . 1 .]" 1
1000 1 81 ILE HA 1 81 ILE QG . . 3.940 2.819 2.412 3.436 . 0 0 "[ . 1 .]" 1
1001 1 81 ILE HA 1 82 SER H . . 2.900 2.397 2.163 2.631 . 0 0 "[ . 1 .]" 1
1002 1 81 ILE HA 1 82 SER HA . . 6.000 4.409 4.367 4.541 . 0 0 "[ . 1 .]" 1
1003 1 81 ILE MD 1 82 SER H . . 6.000 4.663 4.158 5.153 . 0 0 "[ . 1 .]" 1
1004 1 81 ILE MG 1 82 SER H . . 6.000 3.996 3.738 4.474 . 0 0 "[ . 1 .]" 1
1005 1 82 SER H 1 82 SER HB2 . . 3.700 3.244 2.629 3.707 0.007 11 0 "[ . 1 .]" 1
1006 1 82 SER H 1 82 SER HB3 . . 4.100 3.328 2.948 3.827 . 0 0 "[ . 1 .]" 1
1007 1 82 SER H 1 83 LEU H . . 5.000 4.239 2.427 4.646 . 0 0 "[ . 1 .]" 1
1008 1 82 SER H 1 85 ILE MD . . 6.000 3.678 2.827 5.032 . 0 0 "[ . 1 .]" 1
1009 1 82 SER HA 1 83 LEU H . . 2.900 2.611 2.314 2.930 0.030 10 0 "[ . 1 .]" 1
1010 1 82 SER HA 1 83 LEU QB . . 6.880 4.454 4.188 5.094 . 0 0 "[ . 1 .]" 1
1011 1 82 SER HA 1 83 LEU HG . . 6.000 4.076 3.117 5.550 . 0 0 "[ . 1 .]" 1
1012 1 82 SER HB2 1 83 LEU H . . 5.000 3.679 3.434 4.239 . 0 0 "[ . 1 .]" 1
1013 1 82 SER HB3 1 83 LEU H . . 4.600 3.004 2.040 4.312 . 0 0 "[ . 1 .]" 1
1014 1 82 SER HB3 1 84 ASN HB2 . . 6.000 3.790 2.618 5.252 . 0 0 "[ . 1 .]" 1
1015 1 83 LEU H 1 83 LEU QB . . 3.710 2.632 2.379 3.261 . 0 0 "[ . 1 .]" 1
1016 1 83 LEU H 1 83 LEU HG . . 5.000 3.346 2.644 4.402 . 0 0 "[ . 1 .]" 1
1017 1 83 LEU H 1 84 ASN H . . 3.400 2.796 2.422 3.220 . 0 0 "[ . 1 .]" 1
1018 1 83 LEU H 1 84 ASN HA . . 6.000 4.794 4.498 5.611 . 0 0 "[ . 1 .]" 1
1019 1 83 LEU H 1 84 ASN QD . . 6.870 5.302 3.532 6.217 . 0 0 "[ . 1 .]" 1
1020 1 83 LEU H 1 85 ILE H . . 6.000 4.956 4.636 5.436 . 0 0 "[ . 1 .]" 1
1021 1 83 LEU HA 1 85 ILE H . . 6.000 3.743 3.061 4.696 . 0 0 "[ . 1 .]" 1
1022 1 83 LEU QB 1 84 ASN H . . 4.720 3.839 3.732 3.943 . 0 0 "[ . 1 .]" 1
1023 1 83 LEU QB 1 84 ASN QD . . 7.740 5.535 4.370 6.184 . 0 0 "[ . 1 .]" 1
1024 1 83 LEU HB2 1 84 ASN H . . 5.000 4.214 4.040 4.409 . 0 0 "[ . 1 .]" 1
1025 1 83 LEU HB3 1 84 ASN H . . 5.000 4.433 4.353 4.524 . 0 0 "[ . 1 .]" 1
1026 1 83 LEU QD 1 84 ASN H . . 7.570 4.279 4.107 4.438 . 0 0 "[ . 1 .]" 1
1027 1 83 LEU HG 1 84 ASN H . . 5.000 4.909 4.710 5.038 0.038 4 0 "[ . 1 .]" 1
1028 1 84 ASN H 1 84 ASN HB2 . . 3.600 2.727 2.305 3.261 . 0 0 "[ . 1 .]" 1
1029 1 84 ASN H 1 85 ILE H . . 3.800 2.367 1.990 2.735 . 0 0 "[ . 1 .]" 1
1030 1 84 ASN HB2 1 85 ILE H . . 6.000 3.908 2.433 4.602 . 0 0 "[ . 1 .]" 1
1031 1 84 ASN HB3 1 85 ILE H . . 6.000 3.638 2.349 4.505 . 0 0 "[ . 1 .]" 1
1032 1 85 ILE H 1 85 ILE HG12 . . 3.900 3.403 2.303 3.954 0.054 6 0 "[ . 1 .]" 1
1033 1 85 ILE H 1 85 ILE QG . . 3.410 2.427 1.868 2.945 . 0 0 "[ . 1 .]" 1
1034 1 85 ILE H 1 85 ILE HG13 . . 3.900 2.790 1.882 3.964 0.064 5 0 "[ . 1 .]" 1
1035 1 85 ILE H 1 86 ASP H . . 6.000 4.484 3.684 4.682 . 0 0 "[ . 1 .]" 1
1036 1 85 ILE HA 1 86 ASP H . . 2.900 2.351 2.255 2.566 . 0 0 "[ . 1 .]" 1
1037 1 85 ILE HB 1 86 ASP H . . 4.600 3.056 2.222 4.127 . 0 0 "[ . 1 .]" 1
1038 1 85 ILE MD 1 86 ASP H . . 6.000 4.364 3.141 5.029 . 0 0 "[ . 1 .]" 1
1039 1 85 ILE HG12 1 86 ASP H . . 6.000 4.786 3.762 5.325 . 0 0 "[ . 1 .]" 1
1040 1 85 ILE HG13 1 86 ASP H . . 6.000 4.863 4.383 5.782 . 0 0 "[ . 1 .]" 1
1041 1 85 ILE MG 1 86 ASP H . . 5.500 3.148 1.863 4.139 . 0 0 "[ . 1 .]" 1
1042 1 86 ASP H 1 86 ASP HB2 . . 3.600 2.653 2.391 3.324 . 0 0 "[ . 1 .]" 1
1043 1 86 ASP H 1 86 ASP QB . . 3.340 2.497 2.280 2.876 . 0 0 "[ . 1 .]" 1
1044 1 86 ASP H 1 86 ASP HB3 . . 3.600 3.350 2.590 3.672 0.072 9 0 "[ . 1 .]" 1
1045 1 86 ASP H 1 87 CYS H . . 5.000 2.962 1.929 4.084 . 0 0 "[ . 1 .]" 1
1046 1 86 ASP HA 1 88 SER H . . 4.100 4.039 3.306 4.159 0.059 8 0 "[ . 1 .]" 1
1047 1 86 ASP QB 1 89 ARG H . . 6.880 4.487 2.529 6.110 . 0 0 "[ . 1 .]" 1
1048 1 87 CYS H 1 88 SER HA . . 6.000 5.353 5.085 5.577 . 0 0 "[ . 1 .]" 1
1049 1 87 CYS H 1 89 ARG H . . 6.000 4.580 3.628 5.827 . 0 0 "[ . 1 .]" 1
1050 1 87 CYS H 1 90 VAL QG . . 8.560 2.790 1.867 4.129 . 0 0 "[ . 1 .]" 1
1051 1 87 CYS HA 1 89 ARG H . . 6.000 4.628 3.506 5.429 . 0 0 "[ . 1 .]" 1
1052 1 87 CYS HB2 1 88 SER H . . 4.400 3.125 2.257 3.963 . 0 0 "[ . 1 .]" 1
1053 1 87 CYS HB3 1 88 SER H . . 6.000 3.846 2.861 4.470 . 0 0 "[ . 1 .]" 1
1054 1 88 SER H 1 88 SER HB2 . . 4.100 3.368 2.488 3.867 . 0 0 "[ . 1 .]" 1
1055 1 88 SER H 1 88 SER QB . . 3.810 2.829 2.391 3.250 . 0 0 "[ . 1 .]" 1
1056 1 88 SER H 1 88 SER HB3 . . 4.100 3.177 2.651 4.146 0.046 9 0 "[ . 1 .]" 1
1057 1 88 SER H 1 89 ARG H . . 3.300 2.323 2.069 2.629 . 0 0 "[ . 1 .]" 1
1058 1 88 SER H 1 89 ARG HB2 . . 6.000 4.767 3.747 5.139 . 0 0 "[ . 1 .]" 1
1059 1 88 SER H 1 89 ARG QG . . 7.000 5.882 5.355 6.294 . 0 0 "[ . 1 .]" 1
1060 1 88 SER H 1 90 VAL H . . 6.000 3.630 2.668 4.990 . 0 0 "[ . 1 .]" 1
1061 1 88 SER H 1 90 VAL MG1 . . 7.000 3.487 2.429 5.542 . 0 0 "[ . 1 .]" 1
1062 1 88 SER H 1 90 VAL MG2 . . 7.000 4.371 2.861 5.302 . 0 0 "[ . 1 .]" 1
1063 1 88 SER HA 1 90 VAL H . . 6.000 4.599 4.035 5.134 . 0 0 "[ . 1 .]" 1
1064 1 88 SER HB2 1 89 ARG H . . 6.000 3.564 2.290 4.428 . 0 0 "[ . 1 .]" 1
1065 1 88 SER HB3 1 89 ARG H . . 6.000 3.283 2.357 4.654 . 0 0 "[ . 1 .]" 1
1066 1 89 ARG H 1 89 ARG HB2 . . 3.300 2.960 2.261 3.269 . 0 0 "[ . 1 .]" 1
1067 1 89 ARG H 1 90 VAL H . . 3.200 2.552 2.082 3.237 0.037 14 0 "[ . 1 .]" 1
1068 1 89 ARG H 1 90 VAL HA . . 6.000 4.446 3.942 5.013 . 0 0 "[ . 1 .]" 1
1069 1 89 ARG H 1 90 VAL MG1 . . 6.000 3.381 2.687 5.002 . 0 0 "[ . 1 .]" 1
1070 1 89 ARG H 1 90 VAL MG2 . . 6.000 4.088 2.422 5.082 . 0 0 "[ . 1 .]" 1
1071 1 89 ARG HB2 1 90 VAL H . . 4.900 4.509 3.847 4.650 . 0 0 "[ . 1 .]" 1
1072 1 89 ARG HB3 1 90 VAL H . . 6.000 4.147 2.538 4.370 . 0 0 "[ . 1 .]" 1
1073 1 89 ARG QD 1 90 VAL H . . 7.000 5.472 4.396 6.089 . 0 0 "[ . 1 .]" 1
1074 1 90 VAL H 1 90 VAL MG1 . . 4.500 2.395 1.736 3.804 . 0 0 "[ . 1 .]" 1
1075 1 90 VAL H 1 90 VAL QG . . 3.620 1.919 1.733 2.192 . 0 0 "[ . 1 .]" 1
1076 1 90 VAL H 1 90 VAL MG2 . . 4.500 2.693 1.871 3.749 . 0 0 "[ . 1 .]" 1
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