NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406265 |
1xjh   |
6335 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xjh
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 858
_Distance_constraint_stats_list.Viol_count 981
_Distance_constraint_stats_list.Viol_total 1188.085
_Distance_constraint_stats_list.Viol_max 0.332
_Distance_constraint_stats_list.Viol_rms 0.0195
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0606
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.189 0.102 16 0 "[ . 1 . 2]"
1 3 VAL 0.371 0.138 16 0 "[ . 1 . 2]"
1 4 GLU 1.706 0.148 15 0 "[ . 1 . 2]"
1 5 PHE 1.327 0.199 13 0 "[ . 1 . 2]"
1 6 LYS 3.198 0.214 17 0 "[ . 1 . 2]"
1 7 CYS 3.910 0.214 17 0 "[ . 1 . 2]"
1 8 THR 0.644 0.129 14 0 "[ . 1 . 2]"
1 9 CYS 1.944 0.150 12 0 "[ . 1 . 2]"
1 10 SER 1.927 0.146 7 0 "[ . 1 . 2]"
1 11 ARG 3.267 0.192 8 0 "[ . 1 . 2]"
1 12 GLU 4.522 0.332 10 0 "[ . 1 . 2]"
1 13 ARG 1.054 0.129 20 0 "[ . 1 . 2]"
1 14 CYS 2.907 0.177 19 0 "[ . 1 . 2]"
1 15 ALA 1.151 0.114 11 0 "[ . 1 . 2]"
1 16 ASP 0.515 0.045 8 0 "[ . 1 . 2]"
1 17 ALA 0.863 0.058 15 0 "[ . 1 . 2]"
1 18 LEU 5.252 0.321 14 0 "[ . 1 . 2]"
1 19 LYS 6.406 0.258 8 0 "[ . 1 . 2]"
1 20 THR 0.556 0.058 15 0 "[ . 1 . 2]"
1 21 LEU 1.358 0.077 2 0 "[ . 1 . 2]"
1 22 PRO 0.072 0.067 12 0 "[ . 1 . 2]"
1 23 ASP 1.317 0.118 17 0 "[ . 1 . 2]"
1 24 GLU 1.312 0.118 17 0 "[ . 1 . 2]"
1 25 GLU 0.451 0.067 12 0 "[ . 1 . 2]"
1 26 VAL 0.094 0.046 19 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 SER 0.007 0.007 2 0 "[ . 1 . 2]"
1 29 ILE 2.145 0.086 9 0 "[ . 1 . 2]"
1 30 LEU 0.343 0.046 19 0 "[ . 1 . 2]"
1 31 ALA 0.155 0.059 9 0 "[ . 1 . 2]"
1 32 GLU 0.172 0.059 9 0 "[ . 1 . 2]"
1 33 ASP 1.116 0.068 2 0 "[ . 1 . 2]"
1 34 GLY 0.177 0.027 14 0 "[ . 1 . 2]"
1 35 GLU 2.093 0.066 9 0 "[ . 1 . 2]"
1 36 ILE 2.402 0.099 17 0 "[ . 1 . 2]"
1 37 ASP 0.955 0.151 17 0 "[ . 1 . 2]"
1 38 MET 0.406 0.073 1 0 "[ . 1 . 2]"
1 39 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 0.752 0.117 8 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TYR 3.576 0.159 10 0 "[ . 1 . 2]"
1 43 CYS 2.271 0.138 10 0 "[ . 1 . 2]"
1 44 GLY 0.573 0.117 8 0 "[ . 1 . 2]"
1 45 ASN 0.097 0.035 5 0 "[ . 1 . 2]"
1 46 HIS 0.587 0.126 4 0 "[ . 1 . 2]"
1 47 TYR 5.035 0.273 19 0 "[ . 1 . 2]"
1 48 LEU 4.654 0.273 19 0 "[ . 1 . 2]"
1 49 PHE 1.749 0.166 12 0 "[ . 1 . 2]"
1 50 ASN 1.925 0.154 5 0 "[ . 1 . 2]"
1 51 ALA 1.656 0.154 5 0 "[ . 1 . 2]"
1 52 MET 0.005 0.005 5 0 "[ . 1 . 2]"
1 53 ASP 2.880 0.166 12 0 "[ . 1 . 2]"
1 54 ILE 1.855 0.114 9 0 "[ . 1 . 2]"
1 55 ALA 1.845 0.107 2 0 "[ . 1 . 2]"
1 56 GLU 0.687 0.050 16 0 "[ . 1 . 2]"
1 57 ILE 0.966 0.071 11 0 "[ . 1 . 2]"
1 58 ARG 1.760 0.136 15 0 "[ . 1 . 2]"
1 59 ASN 2.093 0.231 16 0 "[ . 1 . 2]"
1 60 ASN 1.742 0.231 16 0 "[ . 1 . 2]"
1 61 ALA 1.155 0.136 15 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 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 2 ASP HA 1 3 VAL H . . 2.980 2.484 2.206 3.082 0.102 16 0 "[ . 1 . 2]" 1
2 1 2 ASP HB2 1 3 VAL H . . 5.500 3.925 2.338 4.670 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP HB3 1 3 VAL H . . 5.500 3.991 2.618 4.580 . 0 0 "[ . 1 . 2]" 1
4 1 3 VAL H 1 3 VAL HB . . 3.970 3.350 2.537 3.924 . 0 0 "[ . 1 . 2]" 1
5 1 3 VAL H 1 3 VAL QG . . 3.990 2.325 1.916 2.621 . 0 0 "[ . 1 . 2]" 1
6 1 3 VAL HA 1 4 GLU H . . 2.500 2.291 2.163 2.638 0.138 16 0 "[ . 1 . 2]" 1
7 1 3 VAL HB 1 4 GLU H . . 4.500 3.714 2.298 4.420 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL QG 1 4 GLU H . . 5.460 2.621 2.116 3.672 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL QG 1 5 PHE H . . 7.060 3.291 1.891 4.756 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL QG 1 5 PHE QD . . 5.090 3.815 2.643 4.768 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL MG1 1 5 PHE QD . . 5.500 4.546 3.449 5.509 0.009 2 0 "[ . 1 . 2]" 1
12 1 3 VAL MG2 1 5 PHE QD . . 5.500 4.414 2.712 5.525 0.025 12 0 "[ . 1 . 2]" 1
13 1 4 GLU H 1 4 GLU HB2 . . 3.520 2.750 2.280 3.582 0.062 14 0 "[ . 1 . 2]" 1
14 1 4 GLU H 1 4 GLU QB . . 3.260 2.483 2.255 2.765 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLU H 1 4 GLU HB3 . . 3.520 3.180 2.529 3.668 0.148 15 0 "[ . 1 . 2]" 1
16 1 4 GLU H 1 4 GLU HG2 . . 5.000 4.137 2.044 5.049 0.049 20 0 "[ . 1 . 2]" 1
17 1 4 GLU H 1 4 GLU HG3 . . 5.000 3.714 2.425 5.024 0.024 5 0 "[ . 1 . 2]" 1
18 1 4 GLU HA 1 5 PHE H . . 2.800 2.568 2.213 2.930 0.130 14 0 "[ . 1 . 2]" 1
19 1 4 GLU HB2 1 5 PHE H . . 5.000 4.305 3.907 4.666 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLU HB3 1 5 PHE H . . 5.000 4.105 2.708 4.561 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLU HG2 1 5 PHE H . . 5.500 4.488 2.718 5.626 0.126 19 0 "[ . 1 . 2]" 1
22 1 4 GLU HG3 1 5 PHE H . . 5.500 4.473 2.459 5.124 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE H 1 5 PHE QB . . 3.500 2.554 2.166 3.254 . 0 0 "[ . 1 . 2]" 1
24 1 5 PHE H 1 5 PHE QD . . 4.610 3.874 2.344 4.508 . 0 0 "[ . 1 . 2]" 1
25 1 5 PHE H 1 6 LYS H . . 5.000 4.014 2.262 4.689 . 0 0 "[ . 1 . 2]" 1
26 1 5 PHE HA 1 6 LYS H . . 2.800 2.425 2.119 2.999 0.199 13 0 "[ . 1 . 2]" 1
27 1 5 PHE QD 1 6 LYS H . . 5.400 3.700 2.777 4.918 . 0 0 "[ . 1 . 2]" 1
28 1 5 PHE QD 1 7 CYS H . . 5.500 5.271 4.534 5.565 0.065 12 0 "[ . 1 . 2]" 1
29 1 6 LYS H 1 6 LYS HB2 . . 4.000 3.031 2.175 4.027 0.027 4 0 "[ . 1 . 2]" 1
30 1 6 LYS H 1 6 LYS QB . . 3.690 2.727 2.097 3.354 . 0 0 "[ . 1 . 2]" 1
31 1 6 LYS H 1 6 LYS HB3 . . 4.000 3.340 2.492 3.946 . 0 0 "[ . 1 . 2]" 1
32 1 6 LYS H 1 6 LYS QG . . 5.000 3.399 2.072 4.535 . 0 0 "[ . 1 . 2]" 1
33 1 6 LYS H 1 7 CYS H . . 4.300 3.846 1.992 4.514 0.214 17 0 "[ . 1 . 2]" 1
34 1 6 LYS HA 1 7 CYS H . . 2.800 2.449 1.945 3.006 0.206 13 0 "[ . 1 . 2]" 1
35 1 6 LYS HB2 1 7 CYS H . . 4.100 3.755 2.214 4.313 0.213 16 0 "[ . 1 . 2]" 1
36 1 6 LYS HB3 1 7 CYS H . . 4.100 3.463 2.444 4.266 0.166 18 0 "[ . 1 . 2]" 1
37 1 6 LYS QG 1 7 CYS H . . 6.000 3.604 1.772 4.809 . 0 0 "[ . 1 . 2]" 1
38 1 7 CYS H 1 7 CYS HB2 . . 3.400 2.572 2.087 3.531 0.131 12 0 "[ . 1 . 2]" 1
39 1 7 CYS H 1 7 CYS HB3 . . 3.400 2.766 2.354 3.510 0.110 2 0 "[ . 1 . 2]" 1
40 1 7 CYS H 1 8 THR H . . 5.500 4.423 3.438 4.709 . 0 0 "[ . 1 . 2]" 1
41 1 7 CYS HA 1 8 THR H . . 3.000 2.280 2.150 2.600 . 0 0 "[ . 1 . 2]" 1
42 1 7 CYS HA 1 9 CYS H . . 4.000 3.845 3.185 4.150 0.150 12 0 "[ . 1 . 2]" 1
43 1 7 CYS QB 1 8 THR H . . 4.540 3.569 2.202 4.053 . 0 0 "[ . 1 . 2]" 1
44 1 7 CYS QB 1 9 CYS H . . 5.470 3.627 2.516 4.745 . 0 0 "[ . 1 . 2]" 1
45 1 7 CYS HB2 1 8 THR H . . 4.790 4.137 2.219 4.658 . 0 0 "[ . 1 . 2]" 1
46 1 7 CYS HB3 1 8 THR H . . 4.790 3.970 3.243 4.501 . 0 0 "[ . 1 . 2]" 1
47 1 8 THR H 1 8 THR HB . . 3.650 3.190 2.369 3.779 0.129 14 0 "[ . 1 . 2]" 1
48 1 8 THR H 1 8 THR MG . . 3.680 2.684 2.109 3.758 0.078 3 0 "[ . 1 . 2]" 1
49 1 8 THR H 1 9 CYS H . . 3.000 2.535 1.794 3.033 0.033 10 0 "[ . 1 . 2]" 1
50 1 8 THR H 1 9 CYS HA . . 5.500 5.132 4.309 5.459 . 0 0 "[ . 1 . 2]" 1
51 1 8 THR H 1 9 CYS QB . . 6.080 4.683 3.630 5.121 . 0 0 "[ . 1 . 2]" 1
52 1 8 THR HA 1 8 THR MG . . 3.290 2.591 2.294 3.278 . 0 0 "[ . 1 . 2]" 1
53 1 8 THR MG 1 9 CYS H . . 4.850 3.797 2.392 4.405 . 0 0 "[ . 1 . 2]" 1
54 1 9 CYS H 1 9 CYS HB2 . . 3.590 3.437 2.086 3.713 0.123 6 0 "[ . 1 . 2]" 1
55 1 9 CYS H 1 9 CYS QB . . 3.320 2.726 2.068 3.113 . 0 0 "[ . 1 . 2]" 1
56 1 9 CYS H 1 9 CYS HB3 . . 3.590 3.020 2.438 3.551 . 0 0 "[ . 1 . 2]" 1
57 1 9 CYS HA 1 10 SER H . . 3.390 3.111 2.057 3.491 0.101 9 0 "[ . 1 . 2]" 1
58 1 9 CYS QB 1 10 SER H . . 4.850 2.643 1.829 3.865 . 0 0 "[ . 1 . 2]" 1
59 1 9 CYS HB2 1 10 SER H . . 5.000 2.894 1.995 4.453 . 0 0 "[ . 1 . 2]" 1
60 1 9 CYS HB3 1 10 SER H . . 5.000 3.577 1.853 4.564 . 0 0 "[ . 1 . 2]" 1
61 1 10 SER HA 1 11 ARG H . . 3.220 2.363 1.914 2.647 . 0 0 "[ . 1 . 2]" 1
62 1 10 SER HA 1 12 GLU H . . 4.430 4.171 3.474 4.454 0.024 12 0 "[ . 1 . 2]" 1
63 1 10 SER HA 1 13 ARG H . . 5.200 4.937 4.624 5.251 0.051 8 0 "[ . 1 . 2]" 1
64 1 10 SER HA 1 14 CYS H . . 6.000 5.938 5.205 6.086 0.086 19 0 "[ . 1 . 2]" 1
65 1 10 SER HA 1 47 TYR QE . . 5.500 4.264 3.028 5.520 0.020 5 0 "[ . 1 . 2]" 1
66 1 10 SER QB 1 11 ARG H . . 3.800 2.790 1.946 3.621 . 0 0 "[ . 1 . 2]" 1
67 1 10 SER QB 1 12 GLU H . . 3.820 2.800 2.278 3.609 . 0 0 "[ . 1 . 2]" 1
68 1 10 SER QB 1 13 ARG H . . 5.880 3.427 2.734 4.277 . 0 0 "[ . 1 . 2]" 1
69 1 10 SER HB2 1 11 ARG H . . 4.000 3.577 2.309 4.037 0.037 5 0 "[ . 1 . 2]" 1
70 1 10 SER HB2 1 12 GLU H . . 4.140 3.713 2.639 4.286 0.146 7 0 "[ . 1 . 2]" 1
71 1 10 SER HB3 1 11 ARG H . . 4.000 3.094 1.965 4.109 0.109 7 0 "[ . 1 . 2]" 1
72 1 10 SER HB3 1 12 GLU H . . 4.140 3.072 2.308 4.209 0.069 11 0 "[ . 1 . 2]" 1
73 1 11 ARG H 1 11 ARG HB2 . . 3.660 2.379 2.100 3.565 . 0 0 "[ . 1 . 2]" 1
74 1 11 ARG H 1 11 ARG QB . . 3.490 2.200 2.048 2.510 . 0 0 "[ . 1 . 2]" 1
75 1 11 ARG H 1 11 ARG HB3 . . 3.660 2.778 2.361 3.644 . 0 0 "[ . 1 . 2]" 1
76 1 11 ARG H 1 12 GLU H . . 3.800 2.692 2.529 2.837 . 0 0 "[ . 1 . 2]" 1
77 1 11 ARG H 1 13 ARG H . . 5.500 4.557 4.387 4.848 . 0 0 "[ . 1 . 2]" 1
78 1 11 ARG H 1 47 TYR QD . . 7.400 5.174 4.504 6.524 . 0 0 "[ . 1 . 2]" 1
79 1 11 ARG H 1 47 TYR QE . . 4.340 3.793 3.251 4.365 0.025 5 0 "[ . 1 . 2]" 1
80 1 11 ARG HA 1 11 ARG QG . . 3.840 2.413 2.212 3.433 . 0 0 "[ . 1 . 2]" 1
81 1 11 ARG HA 1 14 CYS H . . 3.980 3.479 3.311 3.691 . 0 0 "[ . 1 . 2]" 1
82 1 11 ARG HA 1 15 ALA H . . 5.000 4.080 3.835 4.203 . 0 0 "[ . 1 . 2]" 1
83 1 11 ARG QB 1 12 GLU H . . 3.440 2.730 2.469 3.397 . 0 0 "[ . 1 . 2]" 1
84 1 11 ARG HB2 1 12 GLU H . . 3.670 3.657 2.788 3.862 0.192 8 0 "[ . 1 . 2]" 1
85 1 11 ARG HB3 1 12 GLU H . . 3.670 2.942 2.502 3.840 0.170 13 0 "[ . 1 . 2]" 1
86 1 11 ARG QG 1 12 GLU H . . 4.700 3.934 2.277 4.546 . 0 0 "[ . 1 . 2]" 1
87 1 11 ARG HG2 1 12 GLU H . . 5.000 4.248 2.566 5.108 0.108 7 0 "[ . 1 . 2]" 1
88 1 11 ARG HG3 1 12 GLU H . . 5.000 4.745 2.547 5.168 0.168 18 0 "[ . 1 . 2]" 1
89 1 12 GLU H 1 12 GLU HB2 . . 3.100 2.354 2.232 2.436 . 0 0 "[ . 1 . 2]" 1
90 1 12 GLU H 1 12 GLU HB3 . . 3.100 2.672 2.489 3.432 0.332 10 0 "[ . 1 . 2]" 1
91 1 12 GLU H 1 12 GLU HG2 . . 4.660 4.481 3.334 4.584 . 0 0 "[ . 1 . 2]" 1
92 1 12 GLU H 1 12 GLU QG . . 4.500 3.887 2.145 4.063 . 0 0 "[ . 1 . 2]" 1
93 1 12 GLU H 1 12 GLU HG3 . . 4.660 4.290 2.171 4.546 . 0 0 "[ . 1 . 2]" 1
94 1 12 GLU H 1 13 ARG H . . 3.200 2.907 2.777 3.062 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLU H 1 14 CYS H . . 5.000 4.390 4.085 4.552 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLU H 1 15 ALA MB . . 5.500 4.401 4.215 4.720 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLU HA 1 15 ALA H . . 3.810 3.472 3.363 3.740 . 0 0 "[ . 1 . 2]" 1
98 1 12 GLU HA 1 15 ALA MB . . 3.510 2.391 2.243 2.874 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLU HA 1 16 ASP H . . 5.000 4.023 3.874 4.377 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLU QB 1 13 ARG HA . . 6.380 4.284 4.028 4.388 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLU QB 1 14 CYS H . . 6.380 4.858 4.633 4.978 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLU HB2 1 13 ARG H . . 3.920 3.877 2.740 3.967 0.047 14 0 "[ . 1 . 2]" 1
103 1 12 GLU HB3 1 13 ARG H . . 3.920 2.769 2.498 3.657 . 0 0 "[ . 1 . 2]" 1
104 1 13 ARG H 1 13 ARG QB . . 3.440 2.377 2.083 2.516 . 0 0 "[ . 1 . 2]" 1
105 1 13 ARG H 1 13 ARG HD2 . . 5.300 4.247 2.454 5.213 . 0 0 "[ . 1 . 2]" 1
106 1 13 ARG H 1 13 ARG QD . . 5.080 3.818 2.287 4.567 . 0 0 "[ . 1 . 2]" 1
107 1 13 ARG H 1 13 ARG HD3 . . 5.300 4.508 2.732 5.296 . 0 0 "[ . 1 . 2]" 1
108 1 13 ARG H 1 13 ARG HG2 . . 4.100 3.223 2.280 4.113 0.013 5 0 "[ . 1 . 2]" 1
109 1 13 ARG H 1 13 ARG QG . . 3.830 2.674 2.254 3.681 . 0 0 "[ . 1 . 2]" 1
110 1 13 ARG H 1 13 ARG HG3 . . 4.100 3.271 2.374 4.151 0.051 5 0 "[ . 1 . 2]" 1
111 1 13 ARG H 1 14 CYS H . . 3.000 2.632 2.535 2.801 . 0 0 "[ . 1 . 2]" 1
112 1 13 ARG H 1 15 ALA H . . 5.000 4.017 3.880 4.206 . 0 0 "[ . 1 . 2]" 1
113 1 13 ARG HA 1 13 ARG HD2 . . 5.500 3.755 2.272 4.857 . 0 0 "[ . 1 . 2]" 1
114 1 13 ARG HA 1 13 ARG HD3 . . 5.500 3.790 2.123 4.620 . 0 0 "[ . 1 . 2]" 1
115 1 13 ARG HA 1 13 ARG HG2 . . 3.650 2.797 2.238 3.667 0.017 1 0 "[ . 1 . 2]" 1
116 1 13 ARG HA 1 13 ARG QG . . 3.460 2.569 2.183 3.118 . 0 0 "[ . 1 . 2]" 1
117 1 13 ARG HA 1 13 ARG HG3 . . 3.650 3.291 2.426 3.779 0.129 20 0 "[ . 1 . 2]" 1
118 1 13 ARG HA 1 15 ALA H . . 5.000 4.435 4.160 4.665 . 0 0 "[ . 1 . 2]" 1
119 1 13 ARG HA 1 16 ASP H . . 4.000 3.464 2.864 3.741 . 0 0 "[ . 1 . 2]" 1
120 1 13 ARG HA 1 16 ASP HB2 . . 4.030 3.482 2.599 3.862 . 0 0 "[ . 1 . 2]" 1
121 1 13 ARG HA 1 16 ASP QB . . 3.730 2.802 2.158 3.234 . 0 0 "[ . 1 . 2]" 1
122 1 13 ARG HA 1 16 ASP HB3 . . 4.030 2.966 2.305 3.542 . 0 0 "[ . 1 . 2]" 1
123 1 13 ARG HA 1 17 ALA H . . 5.000 4.380 3.944 4.882 . 0 0 "[ . 1 . 2]" 1
124 1 13 ARG QB 1 14 CYS H . . 4.360 2.634 2.330 2.908 . 0 0 "[ . 1 . 2]" 1
125 1 13 ARG QB 1 15 ALA H . . 5.880 4.731 4.541 4.852 . 0 0 "[ . 1 . 2]" 1
126 1 13 ARG HG2 1 14 CYS H . . 5.200 4.797 4.204 5.205 0.005 5 0 "[ . 1 . 2]" 1
127 1 13 ARG HG3 1 14 CYS H . . 5.200 4.810 4.338 5.211 0.011 8 0 "[ . 1 . 2]" 1
128 1 14 CYS H 1 14 CYS HB2 . . 3.330 2.363 2.281 2.475 . 0 0 "[ . 1 . 2]" 1
129 1 14 CYS H 1 14 CYS HB3 . . 3.330 2.725 2.586 3.507 0.177 19 0 "[ . 1 . 2]" 1
130 1 14 CYS H 1 15 ALA H . . 3.000 2.658 2.578 2.807 . 0 0 "[ . 1 . 2]" 1
131 1 14 CYS H 1 15 ALA HA . . 5.500 5.334 5.257 5.422 . 0 0 "[ . 1 . 2]" 1
132 1 14 CYS H 1 15 ALA MB . . 4.710 4.273 4.174 4.446 . 0 0 "[ . 1 . 2]" 1
133 1 14 CYS H 1 16 ASP H . . 5.100 4.232 4.041 4.418 . 0 0 "[ . 1 . 2]" 1
134 1 14 CYS H 1 42 TYR QD . . 4.920 4.947 4.622 5.079 0.159 10 0 "[ . 1 . 2]" 1
135 1 14 CYS HA 1 17 ALA H . . 4.000 3.477 3.192 3.692 . 0 0 "[ . 1 . 2]" 1
136 1 14 CYS HA 1 17 ALA MB . . 3.870 2.730 2.397 3.116 . 0 0 "[ . 1 . 2]" 1
137 1 14 CYS HA 1 18 LEU H . . 5.000 4.518 4.170 5.004 0.004 5 0 "[ . 1 . 2]" 1
138 1 14 CYS HA 1 42 TYR QD . . 5.220 4.673 4.037 5.238 0.018 19 0 "[ . 1 . 2]" 1
139 1 14 CYS QB 1 15 ALA H . . 3.580 2.613 2.546 2.797 . 0 0 "[ . 1 . 2]" 1
140 1 14 CYS QB 1 42 TYR QD . . 6.210 5.068 4.027 6.225 0.015 10 0 "[ . 1 . 2]" 1
141 1 14 CYS HB2 1 15 ALA H . . 3.750 3.703 2.675 3.864 0.114 11 0 "[ . 1 . 2]" 1
142 1 14 CYS HB3 1 15 ALA H . . 3.750 2.754 2.587 3.694 . 0 0 "[ . 1 . 2]" 1
143 1 14 CYS HG 1 15 ALA H . . 5.200 4.806 3.986 5.234 0.034 10 0 "[ . 1 . 2]" 1
144 1 15 ALA H 1 15 ALA MB . . 2.940 2.206 2.180 2.249 . 0 0 "[ . 1 . 2]" 1
145 1 15 ALA H 1 16 ASP H . . 3.200 2.781 2.639 2.855 . 0 0 "[ . 1 . 2]" 1
146 1 15 ALA H 1 16 ASP QB . . 6.380 4.474 4.333 4.578 . 0 0 "[ . 1 . 2]" 1
147 1 15 ALA H 1 17 ALA H . . 5.100 4.189 4.080 4.396 . 0 0 "[ . 1 . 2]" 1
148 1 15 ALA H 1 17 ALA MB . . 5.500 4.867 4.734 5.057 . 0 0 "[ . 1 . 2]" 1
149 1 15 ALA H 1 18 LEU QB . . 5.880 4.747 4.542 5.057 . 0 0 "[ . 1 . 2]" 1
150 1 15 ALA H 1 49 PHE QD . . 6.200 5.813 5.503 6.229 0.029 7 0 "[ . 1 . 2]" 1
151 1 15 ALA H 1 57 ILE MD . . 5.500 4.901 4.591 5.215 . 0 0 "[ . 1 . 2]" 1
152 1 15 ALA HA 1 17 ALA H . . 5.200 4.386 4.236 4.580 . 0 0 "[ . 1 . 2]" 1
153 1 15 ALA HA 1 18 LEU H . . 4.000 3.359 3.202 3.503 . 0 0 "[ . 1 . 2]" 1
154 1 15 ALA HA 1 18 LEU HB2 . . 5.000 3.816 3.450 4.076 . 0 0 "[ . 1 . 2]" 1
155 1 15 ALA HA 1 18 LEU QB . . 4.590 2.494 2.330 2.739 . 0 0 "[ . 1 . 2]" 1
156 1 15 ALA HA 1 18 LEU HB3 . . 5.000 2.528 2.365 2.784 . 0 0 "[ . 1 . 2]" 1
157 1 15 ALA HA 1 18 LEU QD . . 5.880 2.903 2.662 3.262 . 0 0 "[ . 1 . 2]" 1
158 1 15 ALA HA 1 19 LYS H . . 5.000 4.110 3.878 4.401 . 0 0 "[ . 1 . 2]" 1
159 1 15 ALA HA 1 57 ILE MD . . 3.980 3.124 2.769 3.788 . 0 0 "[ . 1 . 2]" 1
160 1 15 ALA MB 1 18 LEU QD . . 6.630 3.720 3.369 4.178 . 0 0 "[ . 1 . 2]" 1
161 1 15 ALA MB 1 57 ILE MD . . 2.500 2.218 2.068 2.450 . 0 0 "[ . 1 . 2]" 1
162 1 16 ASP H 1 16 ASP HB2 . . 3.590 2.405 2.307 2.509 . 0 0 "[ . 1 . 2]" 1
163 1 16 ASP H 1 16 ASP QB . . 3.190 2.205 2.147 2.245 . 0 0 "[ . 1 . 2]" 1
164 1 16 ASP H 1 16 ASP HB3 . . 3.590 2.571 2.504 2.719 . 0 0 "[ . 1 . 2]" 1
165 1 16 ASP H 1 17 ALA H . . 3.000 2.747 2.670 2.830 . 0 0 "[ . 1 . 2]" 1
166 1 16 ASP H 1 18 LEU H . . 5.100 4.191 4.097 4.346 . 0 0 "[ . 1 . 2]" 1
167 1 16 ASP HA 1 18 LEU H . . 5.200 4.309 4.181 4.564 . 0 0 "[ . 1 . 2]" 1
168 1 16 ASP HA 1 19 LYS H . . 4.000 3.480 3.238 3.796 . 0 0 "[ . 1 . 2]" 1
169 1 16 ASP HA 1 19 LYS HB2 . . 5.200 3.722 2.433 4.951 . 0 0 "[ . 1 . 2]" 1
170 1 16 ASP HA 1 19 LYS QB . . 4.810 2.899 2.293 3.914 . 0 0 "[ . 1 . 2]" 1
171 1 16 ASP HA 1 19 LYS HB3 . . 5.200 3.122 2.468 4.104 . 0 0 "[ . 1 . 2]" 1
172 1 16 ASP HA 1 19 LYS QD . . 5.070 3.404 2.177 5.086 0.016 10 0 "[ . 1 . 2]" 1
173 1 16 ASP HA 1 19 LYS QE . . 6.380 3.705 2.019 6.095 . 0 0 "[ . 1 . 2]" 1
174 1 16 ASP HA 1 19 LYS QG . . 4.820 3.358 2.098 4.164 . 0 0 "[ . 1 . 2]" 1
175 1 16 ASP QB 1 17 ALA H . . 3.670 2.677 2.570 2.799 . 0 0 "[ . 1 . 2]" 1
176 1 16 ASP HB2 1 17 ALA H . . 3.900 3.923 3.856 3.945 0.045 8 0 "[ . 1 . 2]" 1
177 1 16 ASP HB3 1 17 ALA H . . 3.870 2.725 2.610 2.865 . 0 0 "[ . 1 . 2]" 1
178 1 17 ALA H 1 17 ALA MB . . 2.900 2.233 2.210 2.253 . 0 0 "[ . 1 . 2]" 1
179 1 17 ALA H 1 18 LEU H . . 2.900 2.715 2.641 2.811 . 0 0 "[ . 1 . 2]" 1
180 1 17 ALA H 1 18 LEU HA . . 5.500 5.367 5.294 5.447 . 0 0 "[ . 1 . 2]" 1
181 1 17 ALA H 1 18 LEU QB . . 5.850 4.255 4.190 4.356 . 0 0 "[ . 1 . 2]" 1
182 1 17 ALA H 1 19 LYS H . . 5.100 4.298 4.125 4.436 . 0 0 "[ . 1 . 2]" 1
183 1 17 ALA H 1 19 LYS QB . . 6.380 5.076 4.481 5.785 . 0 0 "[ . 1 . 2]" 1
184 1 17 ALA HA 1 19 LYS H . . 5.200 4.675 4.447 4.880 . 0 0 "[ . 1 . 2]" 1
185 1 17 ALA HA 1 20 THR H . . 4.000 3.984 3.779 4.058 0.058 15 0 "[ . 1 . 2]" 1
186 1 17 ALA HA 1 20 THR MG . . 4.020 3.705 2.580 4.030 0.010 6 0 "[ . 1 . 2]" 1
187 1 17 ALA MB 1 18 LEU H . . 2.970 2.810 2.679 2.852 . 0 0 "[ . 1 . 2]" 1
188 1 18 LEU H 1 18 LEU HB2 . . 3.460 2.744 2.519 2.876 . 0 0 "[ . 1 . 2]" 1
189 1 18 LEU H 1 18 LEU QB . . 3.070 2.007 1.979 2.043 . 0 0 "[ . 1 . 2]" 1
190 1 18 LEU H 1 18 LEU HB3 . . 3.460 2.066 2.019 2.156 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU H 1 18 LEU MD1 . . 4.530 4.285 4.178 4.346 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU H 1 18 LEU QD . . 4.150 3.692 3.663 3.720 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU H 1 18 LEU MD2 . . 4.530 4.032 3.972 4.096 . 0 0 "[ . 1 . 2]" 1
194 1 18 LEU H 1 18 LEU HG . . 3.800 4.024 3.953 4.121 0.321 14 0 "[ . 1 . 2]" 1
195 1 18 LEU H 1 19 LYS H . . 3.000 2.601 2.475 2.807 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU H 1 19 LYS QB . . 5.180 4.210 3.863 4.537 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU H 1 19 LYS QG . . 6.380 5.254 4.127 6.024 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU H 1 20 THR H . . 5.100 4.284 4.104 4.471 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU H 1 21 LEU QD . . 5.930 4.813 4.503 5.420 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU HA 1 20 THR H . . 5.000 4.205 3.893 4.364 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU HA 1 21 LEU H . . 4.000 3.869 3.657 4.015 0.015 8 0 "[ . 1 . 2]" 1
202 1 18 LEU HA 1 21 LEU QD . . 4.510 2.615 2.299 3.245 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU HA 1 21 LEU HG . . 3.220 2.791 2.336 3.234 0.014 9 0 "[ . 1 . 2]" 1
204 1 18 LEU QB 1 19 LYS H . . 3.720 2.747 2.582 2.835 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU HB2 1 19 LYS H . . 4.100 4.109 3.970 4.148 0.048 4 0 "[ . 1 . 2]" 1
206 1 18 LEU HB3 1 19 LYS H . . 4.100 2.790 2.616 2.886 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU QD 1 19 LYS QB . . 7.290 4.325 3.901 4.566 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU QD 1 26 VAL QG . . 6.220 2.302 1.930 2.735 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU QD 1 36 ILE MD . . 2.390 2.322 2.080 2.418 0.028 18 0 "[ . 1 . 2]" 1
210 1 18 LEU QD 1 54 ILE MD . . 3.030 2.388 2.053 3.052 0.022 7 0 "[ . 1 . 2]" 1
211 1 18 LEU QD 1 54 ILE QG . . 6.420 2.357 2.015 2.982 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU QD 1 57 ILE MG . . 5.900 3.708 2.343 4.848 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU MD1 1 19 LYS H . . 5.500 4.243 4.081 4.437 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU MD1 1 36 ILE MD . . 3.180 2.390 2.106 2.513 . 0 0 "[ . 1 . 2]" 1
215 1 18 LEU MD1 1 54 ILE MD . . 3.560 3.088 2.695 3.548 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU MD2 1 19 LYS H . . 5.500 4.176 4.010 4.427 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU MD2 1 36 ILE MD . . 3.180 3.172 3.041 3.219 0.039 7 0 "[ . 1 . 2]" 1
218 1 18 LEU MD2 1 54 ILE MD . . 3.560 2.507 2.100 3.521 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU HG 1 19 LYS H . . 3.640 3.197 2.928 3.562 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU HG 1 19 LYS HA . . 3.960 3.427 3.220 3.606 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU HG 1 19 LYS QB . . 5.600 4.055 3.415 4.439 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU HG 1 54 ILE MD . . 5.500 4.257 3.614 5.444 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU HG 1 57 ILE MG . . 5.120 3.870 2.343 5.134 0.014 13 0 "[ . 1 . 2]" 1
224 1 19 LYS H 1 19 LYS HB2 . . 3.200 2.709 1.961 3.458 0.258 8 0 "[ . 1 . 2]" 1
225 1 19 LYS H 1 19 LYS QB . . 2.980 2.025 1.937 2.203 . 0 0 "[ . 1 . 2]" 1
226 1 19 LYS H 1 19 LYS HB3 . . 3.200 2.385 2.015 3.009 . 0 0 "[ . 1 . 2]" 1
227 1 19 LYS H 1 19 LYS HG2 . . 4.000 3.606 2.686 4.249 0.249 20 0 "[ . 1 . 2]" 1
228 1 19 LYS H 1 19 LYS QG . . 3.550 3.230 2.372 3.696 0.146 11 0 "[ . 1 . 2]" 1
229 1 19 LYS H 1 19 LYS HG3 . . 4.000 3.865 2.433 4.196 0.196 10 0 "[ . 1 . 2]" 1
230 1 19 LYS H 1 20 THR H . . 3.100 2.961 2.802 3.031 . 0 0 "[ . 1 . 2]" 1
231 1 19 LYS H 1 21 LEU H . . 5.000 4.489 4.389 4.632 . 0 0 "[ . 1 . 2]" 1
232 1 19 LYS H 1 57 ILE MG . . 4.120 3.637 3.186 4.148 0.028 13 0 "[ . 1 . 2]" 1
233 1 19 LYS HA 1 21 LEU H . . 5.000 3.957 3.753 4.238 . 0 0 "[ . 1 . 2]" 1
234 1 19 LYS HA 1 57 ILE MG . . 4.490 3.385 2.491 4.221 . 0 0 "[ . 1 . 2]" 1
235 1 19 LYS QB 1 19 LYS QD . . 3.370 2.250 2.137 2.427 . 0 0 "[ . 1 . 2]" 1
236 1 19 LYS QB 1 20 THR H . . 3.940 3.246 2.571 3.780 . 0 0 "[ . 1 . 2]" 1
237 1 19 LYS HB2 1 20 THR H . . 4.400 4.114 3.653 4.408 0.008 18 0 "[ . 1 . 2]" 1
238 1 19 LYS HB3 1 20 THR H . . 4.140 3.443 2.609 4.186 0.046 8 0 "[ . 1 . 2]" 1
239 1 19 LYS QD 1 20 THR MG . . 4.200 3.819 2.728 4.225 0.025 18 0 "[ . 1 . 2]" 1
240 1 19 LYS QD 1 57 ILE MG . . 4.610 3.211 2.143 3.983 . 0 0 "[ . 1 . 2]" 1
241 1 19 LYS QG 1 20 THR H . . 6.380 3.442 2.594 4.673 . 0 0 "[ . 1 . 2]" 1
242 1 20 THR H 1 20 THR HB . . 4.000 3.659 3.635 3.742 . 0 0 "[ . 1 . 2]" 1
243 1 20 THR H 1 20 THR MG . . 3.290 2.440 2.177 2.740 . 0 0 "[ . 1 . 2]" 1
244 1 20 THR H 1 21 LEU H . . 2.900 2.668 2.349 2.786 . 0 0 "[ . 1 . 2]" 1
245 1 20 THR H 1 21 LEU QB . . 6.380 4.737 4.457 4.881 . 0 0 "[ . 1 . 2]" 1
246 1 20 THR H 1 21 LEU QD . . 7.070 4.464 4.187 4.621 . 0 0 "[ . 1 . 2]" 1
247 1 20 THR HA 1 20 THR MG . . 3.330 2.343 2.281 2.449 . 0 0 "[ . 1 . 2]" 1
248 1 20 THR HB 1 21 LEU H . . 5.000 4.183 4.054 4.336 . 0 0 "[ . 1 . 2]" 1
249 1 21 LEU H 1 21 LEU HB2 . . 3.500 2.434 2.397 2.483 . 0 0 "[ . 1 . 2]" 1
250 1 21 LEU H 1 21 LEU QB . . 3.140 2.395 2.361 2.439 . 0 0 "[ . 1 . 2]" 1
251 1 21 LEU H 1 21 LEU HB3 . . 3.500 3.566 3.552 3.577 0.077 2 0 "[ . 1 . 2]" 1
252 1 21 LEU H 1 21 LEU QD . . 4.980 3.096 3.045 3.144 . 0 0 "[ . 1 . 2]" 1
253 1 21 LEU H 1 21 LEU HG . . 3.000 2.307 2.259 2.389 . 0 0 "[ . 1 . 2]" 1
254 1 21 LEU H 1 22 PRO QD . . 6.380 4.496 4.479 4.510 . 0 0 "[ . 1 . 2]" 1
255 1 21 LEU HA 1 22 PRO HD2 . . 3.500 2.915 2.379 3.021 . 0 0 "[ . 1 . 2]" 1
256 1 21 LEU HA 1 22 PRO QD . . 3.230 2.066 2.013 2.202 . 0 0 "[ . 1 . 2]" 1
257 1 21 LEU HA 1 22 PRO HD3 . . 3.500 2.127 2.052 2.598 . 0 0 "[ . 1 . 2]" 1
258 1 21 LEU QB 1 21 LEU QD . . 2.680 1.965 1.954 1.973 . 0 0 "[ . 1 . 2]" 1
259 1 21 LEU QB 1 22 PRO QD . . 5.870 2.338 2.155 2.674 . 0 0 "[ . 1 . 2]" 1
260 1 21 LEU QB 1 26 VAL H . . 6.380 4.296 3.965 4.656 . 0 0 "[ . 1 . 2]" 1
261 1 21 LEU QB 1 26 VAL QG . . 4.650 2.333 2.078 2.600 . 0 0 "[ . 1 . 2]" 1
262 1 21 LEU HB2 1 22 PRO HD2 . . 7.250 3.947 3.721 4.287 . 0 0 "[ . 1 . 2]" 1
263 1 21 LEU HB2 1 22 PRO HD3 . . 7.250 4.479 4.363 4.898 . 0 0 "[ . 1 . 2]" 1
264 1 21 LEU HB2 1 26 VAL MG1 . . 6.400 4.699 4.431 5.012 . 0 0 "[ . 1 . 2]" 1
265 1 21 LEU HB2 1 26 VAL MG2 . . 6.400 2.453 2.195 2.702 . 0 0 "[ . 1 . 2]" 1
266 1 21 LEU HB3 1 22 PRO HD2 . . 7.250 2.430 2.195 2.812 . 0 0 "[ . 1 . 2]" 1
267 1 21 LEU HB3 1 22 PRO HD3 . . 7.250 3.267 3.101 3.720 . 0 0 "[ . 1 . 2]" 1
268 1 21 LEU HB3 1 26 VAL MG1 . . 6.400 5.568 5.209 6.047 . 0 0 "[ . 1 . 2]" 1
269 1 21 LEU HB3 1 26 VAL MG2 . . 6.400 2.970 2.593 3.461 . 0 0 "[ . 1 . 2]" 1
270 1 21 LEU QD 1 22 PRO QD . . 4.300 2.794 2.621 2.903 . 0 0 "[ . 1 . 2]" 1
271 1 21 LEU QD 1 22 PRO QG . . 6.600 4.284 3.929 4.438 . 0 0 "[ . 1 . 2]" 1
272 1 21 LEU QD 1 25 GLU QB . . 6.810 4.115 3.372 4.692 . 0 0 "[ . 1 . 2]" 1
273 1 21 LEU QD 1 25 GLU QG . . 6.910 4.250 3.278 5.372 . 0 0 "[ . 1 . 2]" 1
274 1 21 LEU MD1 1 22 PRO HD2 . . 5.880 4.132 3.917 4.472 . 0 0 "[ . 1 . 2]" 1
275 1 21 LEU MD1 1 22 PRO HD3 . . 5.880 4.827 4.637 5.280 . 0 0 "[ . 1 . 2]" 1
276 1 21 LEU MD2 1 22 PRO HD2 . . 5.880 3.261 2.745 3.431 . 0 0 "[ . 1 . 2]" 1
277 1 21 LEU MD2 1 22 PRO HD3 . . 5.880 3.193 3.012 3.640 . 0 0 "[ . 1 . 2]" 1
278 1 22 PRO HA 1 23 ASP H . . 2.770 2.199 2.145 2.275 . 0 0 "[ . 1 . 2]" 1
279 1 22 PRO HA 1 24 GLU H . . 4.450 4.126 3.920 4.321 . 0 0 "[ . 1 . 2]" 1
280 1 22 PRO HA 1 25 GLU H . . 5.500 4.574 4.455 4.794 . 0 0 "[ . 1 . 2]" 1
281 1 22 PRO QB 1 24 GLU H . . 4.150 3.305 3.079 3.493 . 0 0 "[ . 1 . 2]" 1
282 1 22 PRO QB 1 25 GLU H . . 3.870 2.406 2.232 2.588 . 0 0 "[ . 1 . 2]" 1
283 1 22 PRO QB 1 25 GLU QG . . 5.490 3.654 2.233 4.732 . 0 0 "[ . 1 . 2]" 1
284 1 22 PRO HB2 1 23 ASP H . . 4.200 3.960 3.787 4.204 0.004 17 0 "[ . 1 . 2]" 1
285 1 22 PRO HB2 1 24 GLU H . . 4.500 3.686 3.351 4.010 . 0 0 "[ . 1 . 2]" 1
286 1 22 PRO HB2 1 25 GLU H . . 4.200 2.437 2.253 2.633 . 0 0 "[ . 1 . 2]" 1
287 1 22 PRO HB3 1 23 ASP H . . 4.200 3.538 3.342 3.985 . 0 0 "[ . 1 . 2]" 1
288 1 22 PRO HB3 1 24 GLU H . . 4.500 3.764 3.590 4.455 . 0 0 "[ . 1 . 2]" 1
289 1 22 PRO HB3 1 25 GLU H . . 4.200 3.741 3.580 4.267 0.067 12 0 "[ . 1 . 2]" 1
290 1 22 PRO QD 1 25 GLU H . . 6.380 4.492 4.146 5.076 . 0 0 "[ . 1 . 2]" 1
291 1 22 PRO QG 1 23 ASP H . . 5.470 4.697 4.571 4.898 . 0 0 "[ . 1 . 2]" 1
292 1 22 PRO QG 1 24 GLU H . . 6.100 5.293 5.066 5.473 . 0 0 "[ . 1 . 2]" 1
293 1 23 ASP H 1 23 ASP HB2 . . 3.630 2.428 2.204 3.578 . 0 0 "[ . 1 . 2]" 1
294 1 23 ASP H 1 23 ASP QB . . 3.210 2.246 2.131 2.468 . 0 0 "[ . 1 . 2]" 1
295 1 23 ASP H 1 23 ASP HB3 . . 3.630 2.853 2.405 3.599 . 0 0 "[ . 1 . 2]" 1
296 1 23 ASP H 1 24 GLU H . . 3.200 2.839 2.774 2.909 . 0 0 "[ . 1 . 2]" 1
297 1 23 ASP H 1 25 GLU H . . 5.100 4.356 4.247 4.524 . 0 0 "[ . 1 . 2]" 1
298 1 23 ASP H 1 26 VAL QG . . 7.060 4.634 4.439 4.831 . 0 0 "[ . 1 . 2]" 1
299 1 23 ASP HA 1 26 VAL H . . 4.200 3.569 3.355 3.764 . 0 0 "[ . 1 . 2]" 1
300 1 23 ASP HA 1 26 VAL HB . . 4.550 2.693 2.351 3.024 . 0 0 "[ . 1 . 2]" 1
301 1 23 ASP HA 1 26 VAL QG . . 6.080 3.200 2.917 3.454 . 0 0 "[ . 1 . 2]" 1
302 1 23 ASP QB 1 24 GLU H . . 3.410 2.650 2.447 3.413 0.003 20 0 "[ . 1 . 2]" 1
303 1 23 ASP HB2 1 24 GLU H . . 3.750 3.566 2.709 3.868 0.118 17 0 "[ . 1 . 2]" 1
304 1 23 ASP HB3 1 24 GLU H . . 3.750 2.943 2.477 3.859 0.109 20 0 "[ . 1 . 2]" 1
305 1 24 GLU H 1 24 GLU QB . . 3.400 2.388 2.219 2.738 . 0 0 "[ . 1 . 2]" 1
306 1 24 GLU H 1 24 GLU QG . . 4.000 2.987 2.115 3.999 . 0 0 "[ . 1 . 2]" 1
307 1 24 GLU H 1 25 GLU H . . 3.000 2.754 2.643 2.816 . 0 0 "[ . 1 . 2]" 1
308 1 24 GLU H 1 25 GLU HA . . 5.500 5.414 5.334 5.476 . 0 0 "[ . 1 . 2]" 1
309 1 24 GLU H 1 26 VAL H . . 5.000 4.280 4.122 4.412 . 0 0 "[ . 1 . 2]" 1
310 1 24 GLU H 1 26 VAL QG . . 7.060 5.079 4.914 5.208 . 0 0 "[ . 1 . 2]" 1
311 1 24 GLU HA 1 24 GLU QG . . 3.910 2.606 2.364 3.531 . 0 0 "[ . 1 . 2]" 1
312 1 24 GLU HA 1 27 ASP H . . 3.840 3.567 3.335 3.747 . 0 0 "[ . 1 . 2]" 1
313 1 24 GLU HA 1 27 ASP HB2 . . 4.070 3.577 3.134 3.930 . 0 0 "[ . 1 . 2]" 1
314 1 24 GLU HA 1 27 ASP QB . . 3.660 2.644 2.372 2.947 . 0 0 "[ . 1 . 2]" 1
315 1 24 GLU HA 1 27 ASP HB3 . . 4.070 2.744 2.448 3.329 . 0 0 "[ . 1 . 2]" 1
316 1 24 GLU HA 1 28 SER H . . 5.000 4.038 3.835 4.490 . 0 0 "[ . 1 . 2]" 1
317 1 24 GLU QG 1 25 GLU H . . 5.500 3.785 2.246 4.419 . 0 0 "[ . 1 . 2]" 1
318 1 25 GLU H 1 25 GLU QB . . 3.700 2.278 2.139 2.466 . 0 0 "[ . 1 . 2]" 1
319 1 25 GLU H 1 25 GLU HG2 . . 4.500 4.048 2.480 4.564 0.064 11 0 "[ . 1 . 2]" 1
320 1 25 GLU H 1 25 GLU HG3 . . 4.500 4.146 2.432 4.501 0.001 6 0 "[ . 1 . 2]" 1
321 1 25 GLU H 1 26 VAL H . . 3.000 2.603 2.521 2.695 . 0 0 "[ . 1 . 2]" 1
322 1 25 GLU H 1 26 VAL QG . . 6.050 4.160 3.968 4.287 . 0 0 "[ . 1 . 2]" 1
323 1 25 GLU H 1 27 ASP H . . 5.000 4.133 4.044 4.217 . 0 0 "[ . 1 . 2]" 1
324 1 25 GLU HA 1 25 GLU HG2 . . 3.890 3.197 2.359 3.794 . 0 0 "[ . 1 . 2]" 1
325 1 25 GLU HA 1 25 GLU QG . . 3.710 2.594 2.300 2.896 . 0 0 "[ . 1 . 2]" 1
326 1 25 GLU HA 1 25 GLU HG3 . . 3.890 2.936 2.415 3.779 . 0 0 "[ . 1 . 2]" 1
327 1 25 GLU HA 1 28 SER H . . 4.000 3.475 3.298 3.820 . 0 0 "[ . 1 . 2]" 1
328 1 25 GLU HA 1 29 ILE H . . 5.200 4.458 4.030 5.050 . 0 0 "[ . 1 . 2]" 1
329 1 25 GLU QB 1 26 VAL H . . 4.120 2.555 2.406 2.834 . 0 0 "[ . 1 . 2]" 1
330 1 25 GLU QB 1 27 ASP H . . 6.380 4.843 4.783 4.897 . 0 0 "[ . 1 . 2]" 1
331 1 25 GLU HG2 1 26 VAL H . . 5.500 4.347 3.783 4.986 . 0 0 "[ . 1 . 2]" 1
332 1 25 GLU HG3 1 26 VAL H . . 5.500 4.536 3.906 5.265 . 0 0 "[ . 1 . 2]" 1
333 1 26 VAL H 1 26 VAL HB . . 3.000 2.392 2.323 2.473 . 0 0 "[ . 1 . 2]" 1
334 1 26 VAL H 1 26 VAL QG . . 3.750 2.267 2.192 2.357 . 0 0 "[ . 1 . 2]" 1
335 1 26 VAL H 1 27 ASP H . . 3.000 2.762 2.496 2.825 . 0 0 "[ . 1 . 2]" 1
336 1 26 VAL H 1 27 ASP HA . . 5.500 5.394 5.171 5.450 . 0 0 "[ . 1 . 2]" 1
337 1 26 VAL H 1 27 ASP QB . . 5.980 4.455 4.158 4.553 . 0 0 "[ . 1 . 2]" 1
338 1 26 VAL H 1 28 SER H . . 5.000 4.175 4.084 4.315 . 0 0 "[ . 1 . 2]" 1
339 1 26 VAL HA 1 26 VAL QG . . 2.970 2.155 2.135 2.171 . 0 0 "[ . 1 . 2]" 1
340 1 26 VAL HA 1 28 SER H . . 5.100 4.484 4.332 4.643 . 0 0 "[ . 1 . 2]" 1
341 1 26 VAL HA 1 29 ILE H . . 4.000 3.721 3.531 3.942 . 0 0 "[ . 1 . 2]" 1
342 1 26 VAL HA 1 29 ILE HB . . 4.210 3.510 2.942 4.166 . 0 0 "[ . 1 . 2]" 1
343 1 26 VAL HA 1 29 ILE MD . . 4.870 3.299 2.551 4.885 0.015 15 0 "[ . 1 . 2]" 1
344 1 26 VAL HA 1 30 LEU H . . 5.000 4.437 4.076 5.046 0.046 19 0 "[ . 1 . 2]" 1
345 1 26 VAL HB 1 27 ASP H . . 3.000 2.619 2.542 2.755 . 0 0 "[ . 1 . 2]" 1
346 1 26 VAL HB 1 28 SER H . . 5.500 5.129 5.035 5.271 . 0 0 "[ . 1 . 2]" 1
347 1 26 VAL QG 1 27 ASP H . . 5.290 3.122 3.015 3.206 . 0 0 "[ . 1 . 2]" 1
348 1 26 VAL QG 1 27 ASP HA . . 6.920 3.421 3.306 3.514 . 0 0 "[ . 1 . 2]" 1
349 1 26 VAL QG 1 28 SER H . . 6.410 4.693 4.614 4.793 . 0 0 "[ . 1 . 2]" 1
350 1 27 ASP H 1 27 ASP QB . . 3.490 2.200 2.146 2.232 . 0 0 "[ . 1 . 2]" 1
351 1 27 ASP H 1 28 SER H . . 3.100 2.811 2.728 2.922 . 0 0 "[ . 1 . 2]" 1
352 1 27 ASP H 1 29 ILE H . . 5.100 4.485 4.389 4.594 . 0 0 "[ . 1 . 2]" 1
353 1 27 ASP HA 1 29 ILE H . . 5.200 4.483 4.232 4.617 . 0 0 "[ . 1 . 2]" 1
354 1 27 ASP HA 1 30 LEU H . . 4.000 3.475 3.326 3.641 . 0 0 "[ . 1 . 2]" 1
355 1 27 ASP HA 1 30 LEU HB2 . . 5.000 2.647 2.453 3.248 . 0 0 "[ . 1 . 2]" 1
356 1 27 ASP HA 1 30 LEU QB . . 4.310 2.622 2.435 3.196 . 0 0 "[ . 1 . 2]" 1
357 1 27 ASP HA 1 30 LEU HB3 . . 5.000 4.271 4.086 4.745 . 0 0 "[ . 1 . 2]" 1
358 1 27 ASP HA 1 30 LEU QD . . 5.210 2.676 2.385 2.970 . 0 0 "[ . 1 . 2]" 1
359 1 27 ASP HA 1 31 ALA H . . 5.000 4.122 3.941 4.840 . 0 0 "[ . 1 . 2]" 1
360 1 27 ASP QB 1 28 SER H . . 4.210 2.719 2.627 2.838 . 0 0 "[ . 1 . 2]" 1
361 1 28 SER H 1 28 SER QB . . 3.400 2.423 2.241 2.502 . 0 0 "[ . 1 . 2]" 1
362 1 28 SER H 1 29 ILE H . . 3.300 2.858 2.797 2.927 . 0 0 "[ . 1 . 2]" 1
363 1 28 SER H 1 29 ILE HB . . 5.500 5.196 5.047 5.424 . 0 0 "[ . 1 . 2]" 1
364 1 28 SER H 1 29 ILE QG . . 6.380 4.375 4.088 4.492 . 0 0 "[ . 1 . 2]" 1
365 1 28 SER H 1 30 LEU H . . 5.000 4.316 4.216 4.426 . 0 0 "[ . 1 . 2]" 1
366 1 28 SER H 1 31 ALA MB . . 5.480 4.671 4.584 5.006 . 0 0 "[ . 1 . 2]" 1
367 1 28 SER HA 1 30 LEU H . . 5.200 4.611 4.264 4.719 . 0 0 "[ . 1 . 2]" 1
368 1 28 SER HA 1 31 ALA H . . 3.880 3.497 3.355 3.597 . 0 0 "[ . 1 . 2]" 1
369 1 28 SER HA 1 31 ALA MB . . 3.270 2.626 2.466 2.720 . 0 0 "[ . 1 . 2]" 1
370 1 28 SER HA 1 32 GLU H . . 5.200 5.007 4.748 5.207 0.007 2 0 "[ . 1 . 2]" 1
371 1 28 SER QB 1 29 ILE H . . 4.470 2.746 2.565 3.592 . 0 0 "[ . 1 . 2]" 1
372 1 29 ILE H 1 29 ILE HA . . 2.800 2.871 2.857 2.883 0.083 6 0 "[ . 1 . 2]" 1
373 1 29 ILE H 1 29 ILE HB . . 2.810 2.597 2.518 2.789 . 0 0 "[ . 1 . 2]" 1
374 1 29 ILE H 1 29 ILE MD . . 3.760 3.345 2.789 3.544 . 0 0 "[ . 1 . 2]" 1
375 1 29 ILE H 1 29 ILE HG12 . . 3.500 3.150 1.983 3.549 0.049 7 0 "[ . 1 . 2]" 1
376 1 29 ILE H 1 29 ILE QG . . 3.240 2.123 1.973 2.189 . 0 0 "[ . 1 . 2]" 1
377 1 29 ILE H 1 29 ILE HG13 . . 3.500 2.523 2.142 3.586 0.086 9 0 "[ . 1 . 2]" 1
378 1 29 ILE H 1 29 ILE MG . . 3.840 3.812 3.800 3.831 . 0 0 "[ . 1 . 2]" 1
379 1 29 ILE H 1 30 LEU H . . 3.000 2.691 2.615 2.761 . 0 0 "[ . 1 . 2]" 1
380 1 29 ILE H 1 31 ALA H . . 5.000 4.108 3.974 4.176 . 0 0 "[ . 1 . 2]" 1
381 1 29 ILE H 1 31 ALA MB . . 5.500 4.814 4.705 4.944 . 0 0 "[ . 1 . 2]" 1
382 1 29 ILE HA 1 29 ILE MD . . 4.130 3.531 2.287 3.959 . 0 0 "[ . 1 . 2]" 1
383 1 29 ILE HA 1 29 ILE QG . . 3.910 2.653 2.445 3.216 . 0 0 "[ . 1 . 2]" 1
384 1 29 ILE HA 1 29 ILE MG . . 3.360 2.339 2.233 2.398 . 0 0 "[ . 1 . 2]" 1
385 1 29 ILE HA 1 31 ALA H . . 5.100 4.315 4.062 4.421 . 0 0 "[ . 1 . 2]" 1
386 1 29 ILE HA 1 32 GLU H . . 4.000 3.599 3.403 3.769 . 0 0 "[ . 1 . 2]" 1
387 1 29 ILE HA 1 32 GLU QB . . 5.740 3.198 2.730 4.484 . 0 0 "[ . 1 . 2]" 1
388 1 29 ILE HA 1 32 GLU QG . . 6.380 4.166 2.352 5.100 . 0 0 "[ . 1 . 2]" 1
389 1 29 ILE HA 1 33 ASP H . . 4.810 4.102 3.762 4.561 . 0 0 "[ . 1 . 2]" 1
390 1 29 ILE HB 1 30 LEU H . . 5.000 2.665 2.575 2.854 . 0 0 "[ . 1 . 2]" 1
391 1 29 ILE MD 1 30 LEU H . . 6.000 4.559 4.449 4.716 . 0 0 "[ . 1 . 2]" 1
392 1 29 ILE HG12 1 30 LEU H . . 5.200 4.842 3.975 5.156 . 0 0 "[ . 1 . 2]" 1
393 1 29 ILE HG13 1 30 LEU H . . 5.200 4.477 4.213 5.009 . 0 0 "[ . 1 . 2]" 1
394 1 29 ILE MG 1 30 LEU H . . 3.940 3.564 3.405 3.886 . 0 0 "[ . 1 . 2]" 1
395 1 29 ILE MG 1 31 ALA H . . 5.500 5.067 4.989 5.152 . 0 0 "[ . 1 . 2]" 1
396 1 29 ILE MG 1 32 GLU H . . 5.500 4.384 4.234 4.481 . 0 0 "[ . 1 . 2]" 1
397 1 29 ILE MG 1 33 ASP H . . 5.250 3.803 3.519 4.181 . 0 0 "[ . 1 . 2]" 1
398 1 29 ILE MG 1 34 GLY H . . 4.700 4.218 3.541 4.674 . 0 0 "[ . 1 . 2]" 1
399 1 29 ILE MG 1 35 GLU H . . 4.340 3.629 3.197 4.207 . 0 0 "[ . 1 . 2]" 1
400 1 29 ILE MG 1 36 ILE HA . . 4.670 3.130 2.798 3.356 . 0 0 "[ . 1 . 2]" 1
401 1 30 LEU H 1 30 LEU HB2 . . 3.640 2.461 2.406 2.603 . 0 0 "[ . 1 . 2]" 1
402 1 30 LEU H 1 30 LEU QB . . 3.140 2.422 2.372 2.550 . 0 0 "[ . 1 . 2]" 1
403 1 30 LEU H 1 30 LEU HB3 . . 3.640 3.610 3.592 3.644 0.004 10 0 "[ . 1 . 2]" 1
404 1 30 LEU H 1 30 LEU MD1 . . 4.180 3.631 3.477 3.789 . 0 0 "[ . 1 . 2]" 1
405 1 30 LEU H 1 30 LEU QD . . 3.530 3.132 2.936 3.216 . 0 0 "[ . 1 . 2]" 1
406 1 30 LEU H 1 30 LEU MD2 . . 4.180 3.434 3.058 3.579 . 0 0 "[ . 1 . 2]" 1
407 1 30 LEU H 1 30 LEU HG . . 3.500 2.361 2.221 2.521 . 0 0 "[ . 1 . 2]" 1
408 1 30 LEU H 1 31 ALA H . . 3.000 2.759 2.660 2.804 . 0 0 "[ . 1 . 2]" 1
409 1 30 LEU H 1 31 ALA HA . . 5.500 5.410 5.356 5.436 . 0 0 "[ . 1 . 2]" 1
410 1 30 LEU H 1 32 GLU H . . 5.000 4.204 4.113 4.298 . 0 0 "[ . 1 . 2]" 1
411 1 30 LEU HA 1 32 GLU H . . 5.200 3.790 3.717 3.897 . 0 0 "[ . 1 . 2]" 1
412 1 30 LEU HA 1 33 ASP H . . 4.950 3.470 3.250 3.671 . 0 0 "[ . 1 . 2]" 1
413 1 30 LEU HA 1 34 GLY H . . 3.740 2.436 2.296 2.546 . 0 0 "[ . 1 . 2]" 1
414 1 30 LEU HA 1 35 GLU H . . 4.100 3.459 3.205 3.759 . 0 0 "[ . 1 . 2]" 1
415 1 30 LEU QB 1 30 LEU QD . . 2.650 1.952 1.937 1.976 . 0 0 "[ . 1 . 2]" 1
416 1 30 LEU QB 1 31 ALA H . . 3.710 2.768 2.665 2.898 . 0 0 "[ . 1 . 2]" 1
417 1 30 LEU QB 1 34 GLY H . . 6.380 4.146 3.976 4.309 . 0 0 "[ . 1 . 2]" 1
418 1 30 LEU HB2 1 30 LEU MD1 . . 3.420 2.326 2.275 2.398 . 0 0 "[ . 1 . 2]" 1
419 1 30 LEU HB2 1 30 LEU MD2 . . 3.420 3.254 3.248 3.270 . 0 0 "[ . 1 . 2]" 1
420 1 30 LEU HB2 1 31 ALA H . . 4.000 2.850 2.731 2.986 . 0 0 "[ . 1 . 2]" 1
421 1 30 LEU HB3 1 30 LEU MD1 . . 3.420 2.368 2.301 2.435 . 0 0 "[ . 1 . 2]" 1
422 1 30 LEU HB3 1 30 LEU MD2 . . 3.420 2.404 2.362 2.479 . 0 0 "[ . 1 . 2]" 1
423 1 30 LEU HB3 1 31 ALA H . . 4.000 3.755 3.620 3.953 . 0 0 "[ . 1 . 2]" 1
424 1 30 LEU QD 1 31 ALA H . . 4.930 4.241 4.170 4.303 . 0 0 "[ . 1 . 2]" 1
425 1 30 LEU QD 1 34 GLY H . . 7.070 3.693 3.527 3.887 . 0 0 "[ . 1 . 2]" 1
426 1 30 LEU QD 1 35 GLU H . . 5.040 3.164 2.891 3.413 . 0 0 "[ . 1 . 2]" 1
427 1 30 LEU QD 1 35 GLU HA . . 5.230 2.644 2.363 3.149 . 0 0 "[ . 1 . 2]" 1
428 1 30 LEU QD 1 36 ILE H . . 5.400 3.791 3.449 4.449 . 0 0 "[ . 1 . 2]" 1
429 1 30 LEU QD 1 36 ILE QG . . 5.550 2.596 2.209 3.260 . 0 0 "[ . 1 . 2]" 1
430 1 30 LEU QD 1 50 ASN HA . . 6.280 3.171 2.525 4.310 . 0 0 "[ . 1 . 2]" 1
431 1 30 LEU QD 1 51 ALA H . . 5.850 2.772 2.451 3.435 . 0 0 "[ . 1 . 2]" 1
432 1 30 LEU QD 1 51 ALA HA . . 5.530 2.142 2.010 2.360 . 0 0 "[ . 1 . 2]" 1
433 1 30 LEU QD 1 51 ALA MB . . 2.300 2.175 2.044 2.274 . 0 0 "[ . 1 . 2]" 1
434 1 30 LEU QD 1 52 MET H . . 7.070 4.524 4.418 4.803 . 0 0 "[ . 1 . 2]" 1
435 1 30 LEU MD1 1 31 ALA H . . 5.500 4.724 4.583 4.891 . 0 0 "[ . 1 . 2]" 1
436 1 30 LEU MD1 1 35 GLU H . . 6.000 5.868 5.563 6.034 0.034 19 0 "[ . 1 . 2]" 1
437 1 30 LEU MD1 1 36 ILE HG12 . . 7.360 5.401 4.862 6.686 . 0 0 "[ . 1 . 2]" 1
438 1 30 LEU MD1 1 36 ILE HG13 . . 7.360 4.425 3.923 5.551 . 0 0 "[ . 1 . 2]" 1
439 1 30 LEU MD1 1 51 ALA MB . . 2.940 2.563 2.319 2.946 0.006 7 0 "[ . 1 . 2]" 1
440 1 30 LEU MD2 1 31 ALA H . . 5.500 4.805 4.659 4.871 . 0 0 "[ . 1 . 2]" 1
441 1 30 LEU MD2 1 35 GLU H . . 6.000 3.177 2.901 3.432 . 0 0 "[ . 1 . 2]" 1
442 1 30 LEU MD2 1 36 ILE HG12 . . 7.360 3.882 3.199 4.599 . 0 0 "[ . 1 . 2]" 1
443 1 30 LEU MD2 1 36 ILE HG13 . . 7.360 2.667 2.269 3.370 . 0 0 "[ . 1 . 2]" 1
444 1 30 LEU MD2 1 51 ALA MB . . 2.940 2.385 2.174 2.801 . 0 0 "[ . 1 . 2]" 1
445 1 30 LEU HG 1 31 ALA H . . 5.000 4.576 4.438 4.704 . 0 0 "[ . 1 . 2]" 1
446 1 30 LEU HG 1 34 GLY H . . 5.500 5.475 5.312 5.527 0.027 14 0 "[ . 1 . 2]" 1
447 1 31 ALA H 1 31 ALA MB . . 2.740 2.202 2.186 2.227 . 0 0 "[ . 1 . 2]" 1
448 1 31 ALA H 1 32 GLU H . . 3.000 2.776 2.612 2.883 . 0 0 "[ . 1 . 2]" 1
449 1 31 ALA H 1 32 GLU QB . . 6.380 4.668 4.248 5.062 . 0 0 "[ . 1 . 2]" 1
450 1 31 ALA H 1 32 GLU QG . . 6.380 4.736 4.155 6.380 . 0 0 "[ . 1 . 2]" 1
451 1 31 ALA H 1 33 ASP H . . 5.000 4.366 4.284 4.432 . 0 0 "[ . 1 . 2]" 1
452 1 31 ALA HA 1 33 ASP H . . 5.000 4.794 4.569 4.976 . 0 0 "[ . 1 . 2]" 1
453 1 31 ALA MB 1 32 GLU H . . 3.250 3.219 3.115 3.268 0.018 10 0 "[ . 1 . 2]" 1
454 1 31 ALA MB 1 32 GLU HA . . 4.490 4.268 4.174 4.312 . 0 0 "[ . 1 . 2]" 1
455 1 31 ALA MB 1 32 GLU QG . . 5.110 3.518 2.883 5.169 0.059 9 0 "[ . 1 . 2]" 1
456 1 31 ALA MB 1 33 ASP H . . 5.320 4.910 4.840 4.982 . 0 0 "[ . 1 . 2]" 1
457 1 31 ALA MB 1 34 GLY H . . 6.000 5.402 5.332 5.578 . 0 0 "[ . 1 . 2]" 1
458 1 32 GLU H 1 32 GLU QB . . 3.570 2.574 2.361 3.019 . 0 0 "[ . 1 . 2]" 1
459 1 32 GLU H 1 32 GLU QG . . 4.560 3.177 2.376 4.173 . 0 0 "[ . 1 . 2]" 1
460 1 32 GLU H 1 33 ASP H . . 3.000 2.072 2.021 2.224 . 0 0 "[ . 1 . 2]" 1
461 1 32 GLU H 1 33 ASP QB . . 6.170 4.190 4.087 4.307 . 0 0 "[ . 1 . 2]" 1
462 1 32 GLU H 1 34 GLY H . . 4.540 3.292 3.099 3.480 . 0 0 "[ . 1 . 2]" 1
463 1 32 GLU HA 1 34 GLY H . . 5.200 4.954 4.808 5.210 0.010 10 0 "[ . 1 . 2]" 1
464 1 32 GLU QB 1 33 ASP H . . 4.190 3.089 2.829 3.881 . 0 0 "[ . 1 . 2]" 1
465 1 32 GLU QB 1 34 GLY H . . 6.000 4.800 4.502 5.486 . 0 0 "[ . 1 . 2]" 1
466 1 32 GLU QG 1 33 ASP H . . 5.700 4.188 2.956 4.443 . 0 0 "[ . 1 . 2]" 1
467 1 32 GLU QG 1 34 GLY H . . 6.200 5.705 4.558 5.956 . 0 0 "[ . 1 . 2]" 1
468 1 33 ASP H 1 33 ASP HB2 . . 3.630 2.879 2.510 3.081 . 0 0 "[ . 1 . 2]" 1
469 1 33 ASP H 1 33 ASP QB . . 3.210 2.593 2.471 2.688 . 0 0 "[ . 1 . 2]" 1
470 1 33 ASP H 1 33 ASP HB3 . . 3.630 3.143 2.820 3.698 0.068 2 0 "[ . 1 . 2]" 1
471 1 33 ASP H 1 34 GLY H . . 2.900 1.944 1.873 2.060 . 0 0 "[ . 1 . 2]" 1
472 1 33 ASP H 1 34 GLY QA . . 6.380 3.923 3.826 4.031 . 0 0 "[ . 1 . 2]" 1
473 1 33 ASP H 1 35 GLU H . . 5.000 4.021 3.879 4.119 . 0 0 "[ . 1 . 2]" 1
474 1 33 ASP HA 1 35 GLU H . . 5.200 4.372 4.201 4.552 . 0 0 "[ . 1 . 2]" 1
475 1 33 ASP QB 1 35 GLU H . . 4.090 2.715 2.673 2.761 . 0 0 "[ . 1 . 2]" 1
476 1 33 ASP QB 1 35 GLU HA . . 6.120 5.218 4.986 5.336 . 0 0 "[ . 1 . 2]" 1
477 1 33 ASP QB 1 35 GLU QG . . 5.730 3.642 2.757 5.115 . 0 0 "[ . 1 . 2]" 1
478 1 33 ASP HB2 1 34 GLY H . . 5.000 3.922 3.150 4.301 . 0 0 "[ . 1 . 2]" 1
479 1 33 ASP HB2 1 35 GLU H . . 4.350 4.017 3.042 4.416 0.066 9 0 "[ . 1 . 2]" 1
480 1 33 ASP HB3 1 34 GLY H . . 5.000 3.511 3.028 4.032 . 0 0 "[ . 1 . 2]" 1
481 1 33 ASP HB3 1 35 GLU H . . 4.270 2.823 2.695 3.094 . 0 0 "[ . 1 . 2]" 1
482 1 34 GLY H 1 35 GLU H . . 3.200 2.907 2.727 3.015 . 0 0 "[ . 1 . 2]" 1
483 1 34 GLY QA 1 35 GLU H . . 3.240 2.979 2.946 2.994 . 0 0 "[ . 1 . 2]" 1
484 1 34 GLY HA2 1 35 GLU H . . 3.500 3.373 3.285 3.428 . 0 0 "[ . 1 . 2]" 1
485 1 34 GLY HA3 1 35 GLU H . . 3.500 3.319 3.222 3.388 . 0 0 "[ . 1 . 2]" 1
486 1 35 GLU H 1 35 GLU HB2 . . 4.000 3.838 2.982 4.007 0.007 1 0 "[ . 1 . 2]" 1
487 1 35 GLU H 1 35 GLU QB . . 3.820 3.218 2.900 3.323 . 0 0 "[ . 1 . 2]" 1
488 1 35 GLU H 1 35 GLU HB3 . . 4.000 3.551 3.399 3.969 . 0 0 "[ . 1 . 2]" 1
489 1 35 GLU H 1 35 GLU HG2 . . 4.100 2.850 2.508 4.143 0.043 19 0 "[ . 1 . 2]" 1
490 1 35 GLU H 1 35 GLU QG . . 3.700 2.634 2.434 3.247 . 0 0 "[ . 1 . 2]" 1
491 1 35 GLU H 1 35 GLU HG3 . . 4.100 3.324 3.086 3.464 . 0 0 "[ . 1 . 2]" 1
492 1 35 GLU H 1 36 ILE H . . 5.000 4.401 4.364 4.436 . 0 0 "[ . 1 . 2]" 1
493 1 35 GLU H 1 36 ILE MD . . 5.500 5.511 5.333 5.558 0.058 19 0 "[ . 1 . 2]" 1
494 1 35 GLU H 1 36 ILE QG . . 6.380 4.137 4.014 4.216 . 0 0 "[ . 1 . 2]" 1
495 1 35 GLU HA 1 36 ILE H . . 2.700 2.336 2.240 2.404 . 0 0 "[ . 1 . 2]" 1
496 1 35 GLU HA 1 50 ASN HA . . 3.700 2.326 2.058 2.726 . 0 0 "[ . 1 . 2]" 1
497 1 35 GLU HA 1 51 ALA H . . 5.000 3.911 3.397 4.505 . 0 0 "[ . 1 . 2]" 1
498 1 35 GLU QB 1 48 LEU QD . . 5.250 3.469 2.118 4.179 . 0 0 "[ . 1 . 2]" 1
499 1 35 GLU QB 1 49 PHE H . . 5.000 3.649 3.536 3.771 . 0 0 "[ . 1 . 2]" 1
500 1 35 GLU QB 1 50 ASN HA . . 5.770 2.917 2.269 3.677 . 0 0 "[ . 1 . 2]" 1
501 1 35 GLU HB2 1 48 LEU MD1 . . 7.100 4.147 2.159 5.779 . 0 0 "[ . 1 . 2]" 1
502 1 35 GLU HB2 1 48 LEU MD2 . . 7.100 4.832 3.572 6.252 . 0 0 "[ . 1 . 2]" 1
503 1 35 GLU HB2 1 49 PHE H . . 5.200 3.949 3.598 5.265 0.065 13 0 "[ . 1 . 2]" 1
504 1 35 GLU HB3 1 48 LEU MD1 . . 7.100 4.757 3.224 5.840 . 0 0 "[ . 1 . 2]" 1
505 1 35 GLU HB3 1 48 LEU MD2 . . 7.100 5.580 3.829 7.104 0.004 10 0 "[ . 1 . 2]" 1
506 1 35 GLU HB3 1 49 PHE H . . 5.200 5.008 3.648 5.260 0.060 15 0 "[ . 1 . 2]" 1
507 1 35 GLU QG 1 48 LEU QD . . 6.390 4.100 2.974 5.312 . 0 0 "[ . 1 . 2]" 1
508 1 35 GLU HG2 1 36 ILE H . . 5.000 4.684 4.174 4.917 . 0 0 "[ . 1 . 2]" 1
509 1 35 GLU HG3 1 36 ILE H . . 5.000 3.996 3.538 5.049 0.049 7 0 "[ . 1 . 2]" 1
510 1 36 ILE H 1 36 ILE HB . . 3.000 2.681 2.538 2.817 . 0 0 "[ . 1 . 2]" 1
511 1 36 ILE H 1 36 ILE MD . . 4.000 4.057 4.004 4.088 0.088 14 0 "[ . 1 . 2]" 1
512 1 36 ILE H 1 36 ILE HG12 . . 5.000 4.103 3.772 4.408 . 0 0 "[ . 1 . 2]" 1
513 1 36 ILE H 1 36 ILE QG . . 4.440 2.915 2.661 3.179 . 0 0 "[ . 1 . 2]" 1
514 1 36 ILE H 1 36 ILE HG13 . . 5.000 2.983 2.720 3.261 . 0 0 "[ . 1 . 2]" 1
515 1 36 ILE H 1 36 ILE MG . . 4.000 3.898 3.790 3.967 . 0 0 "[ . 1 . 2]" 1
516 1 36 ILE H 1 37 ASP H . . 5.000 4.339 4.234 4.381 . 0 0 "[ . 1 . 2]" 1
517 1 36 ILE H 1 37 ASP HA . . 5.500 4.913 4.789 5.047 . 0 0 "[ . 1 . 2]" 1
518 1 36 ILE H 1 48 LEU HA . . 5.000 4.661 4.502 4.878 . 0 0 "[ . 1 . 2]" 1
519 1 36 ILE H 1 49 PHE H . . 3.950 2.881 2.769 3.072 . 0 0 "[ . 1 . 2]" 1
520 1 36 ILE H 1 49 PHE HB2 . . 5.000 3.522 3.338 3.866 . 0 0 "[ . 1 . 2]" 1
521 1 36 ILE H 1 49 PHE QB . . 4.670 3.422 3.253 3.746 . 0 0 "[ . 1 . 2]" 1
522 1 36 ILE H 1 49 PHE HB3 . . 5.000 4.656 4.471 5.022 0.022 13 0 "[ . 1 . 2]" 1
523 1 36 ILE H 1 49 PHE QD . . 5.500 4.847 4.655 5.045 . 0 0 "[ . 1 . 2]" 1
524 1 36 ILE H 1 50 ASN HA . . 4.610 3.687 3.436 3.931 . 0 0 "[ . 1 . 2]" 1
525 1 36 ILE HA 1 36 ILE MD . . 4.330 3.922 3.868 3.973 . 0 0 "[ . 1 . 2]" 1
526 1 36 ILE HA 1 36 ILE QG . . 4.000 2.501 2.380 2.619 . 0 0 "[ . 1 . 2]" 1
527 1 36 ILE HA 1 36 ILE MG . . 3.350 2.439 2.336 2.566 . 0 0 "[ . 1 . 2]" 1
528 1 36 ILE HA 1 37 ASP H . . 2.500 2.165 2.106 2.216 . 0 0 "[ . 1 . 2]" 1
529 1 36 ILE HB 1 36 ILE MD . . 3.130 2.362 2.312 2.448 . 0 0 "[ . 1 . 2]" 1
530 1 36 ILE HB 1 37 ASP H . . 5.000 4.115 3.974 4.231 . 0 0 "[ . 1 . 2]" 1
531 1 36 ILE HB 1 49 PHE H . . 4.480 3.832 3.519 4.288 . 0 0 "[ . 1 . 2]" 1
532 1 36 ILE HB 1 49 PHE QB . . 5.160 2.773 2.346 3.234 . 0 0 "[ . 1 . 2]" 1
533 1 36 ILE HB 1 54 ILE MD . . 3.850 2.982 2.370 3.494 . 0 0 "[ . 1 . 2]" 1
534 1 36 ILE MD 1 49 PHE QB . . 5.280 3.776 3.338 4.192 . 0 0 "[ . 1 . 2]" 1
535 1 36 ILE MD 1 54 ILE MD . . 2.400 2.132 2.045 2.272 . 0 0 "[ . 1 . 2]" 1
536 1 36 ILE QG 1 36 ILE MG . . 3.210 2.343 2.269 2.426 . 0 0 "[ . 1 . 2]" 1
537 1 36 ILE HG12 1 36 ILE MG . . 3.480 2.404 2.319 2.504 . 0 0 "[ . 1 . 2]" 1
538 1 36 ILE HG12 1 37 ASP H . . 5.100 4.435 4.161 4.666 . 0 0 "[ . 1 . 2]" 1
539 1 36 ILE HG13 1 36 ILE MG . . 3.480 3.244 3.223 3.255 . 0 0 "[ . 1 . 2]" 1
540 1 36 ILE HG13 1 37 ASP H . . 5.100 5.053 4.830 5.199 0.099 17 0 "[ . 1 . 2]" 1
541 1 36 ILE MG 1 37 ASP H . . 3.910 2.572 2.497 2.803 . 0 0 "[ . 1 . 2]" 1
542 1 36 ILE MG 1 38 MET H . . 4.850 4.070 3.473 4.395 . 0 0 "[ . 1 . 2]" 1
543 1 36 ILE MG 1 38 MET QG . . 4.730 3.748 2.188 4.750 0.020 16 0 "[ . 1 . 2]" 1
544 1 36 ILE MG 1 49 PHE H . . 5.500 4.501 4.055 4.748 . 0 0 "[ . 1 . 2]" 1
545 1 37 ASP H 1 37 ASP HB2 . . 3.500 2.932 2.329 3.651 0.151 17 0 "[ . 1 . 2]" 1
546 1 37 ASP H 1 37 ASP QB . . 3.300 2.366 2.249 2.789 . 0 0 "[ . 1 . 2]" 1
547 1 37 ASP H 1 37 ASP HB3 . . 3.500 2.648 2.333 3.591 0.091 9 0 "[ . 1 . 2]" 1
548 1 37 ASP H 1 38 MET H . . 4.670 4.388 4.061 4.520 . 0 0 "[ . 1 . 2]" 1
549 1 37 ASP H 1 48 LEU QD . . 7.070 5.012 3.635 6.480 . 0 0 "[ . 1 . 2]" 1
550 1 37 ASP HA 1 38 MET H . . 2.600 2.178 2.126 2.213 . 0 0 "[ . 1 . 2]" 1
551 1 37 ASP HA 1 47 TYR H . . 4.500 4.431 4.282 4.568 0.068 15 0 "[ . 1 . 2]" 1
552 1 37 ASP HA 1 48 LEU QD . . 5.300 3.443 2.165 4.891 . 0 0 "[ . 1 . 2]" 1
553 1 37 ASP HA 1 49 PHE H . . 5.000 3.740 3.352 3.981 . 0 0 "[ . 1 . 2]" 1
554 1 37 ASP QB 1 48 LEU QD . . 6.140 3.521 2.209 5.490 . 0 0 "[ . 1 . 2]" 1
555 1 37 ASP HB2 1 38 MET H . . 5.000 4.256 3.356 4.514 . 0 0 "[ . 1 . 2]" 1
556 1 37 ASP HB2 1 48 LEU MD1 . . 8.150 4.943 2.434 6.961 . 0 0 "[ . 1 . 2]" 1
557 1 37 ASP HB2 1 48 LEU MD2 . . 8.150 4.431 2.238 7.654 . 0 0 "[ . 1 . 2]" 1
558 1 37 ASP HB3 1 38 MET H . . 5.000 4.180 3.165 4.542 . 0 0 "[ . 1 . 2]" 1
559 1 37 ASP HB3 1 48 LEU MD1 . . 8.150 6.018 3.884 7.004 . 0 0 "[ . 1 . 2]" 1
560 1 37 ASP HB3 1 48 LEU MD2 . . 8.150 5.404 3.586 7.779 . 0 0 "[ . 1 . 2]" 1
561 1 38 MET H 1 38 MET HB2 . . 4.000 2.936 2.186 3.930 . 0 0 "[ . 1 . 2]" 1
562 1 38 MET H 1 38 MET QB . . 3.640 2.552 2.163 3.177 . 0 0 "[ . 1 . 2]" 1
563 1 38 MET H 1 38 MET HB3 . . 4.000 3.019 2.521 3.837 . 0 0 "[ . 1 . 2]" 1
564 1 38 MET H 1 38 MET QG . . 4.490 3.847 2.391 4.283 . 0 0 "[ . 1 . 2]" 1
565 1 38 MET H 1 39 HIS H . . 5.200 4.481 4.403 4.596 . 0 0 "[ . 1 . 2]" 1
566 1 38 MET H 1 46 HIS HA . . 5.100 4.758 4.554 5.055 . 0 0 "[ . 1 . 2]" 1
567 1 38 MET H 1 47 TYR H . . 4.000 3.013 2.827 3.418 . 0 0 "[ . 1 . 2]" 1
568 1 38 MET H 1 47 TYR HB2 . . 5.000 4.156 3.642 4.449 . 0 0 "[ . 1 . 2]" 1
569 1 38 MET H 1 47 TYR QB . . 4.830 3.949 3.551 4.138 . 0 0 "[ . 1 . 2]" 1
570 1 38 MET H 1 47 TYR HB3 . . 5.000 4.949 4.534 5.073 0.073 1 0 "[ . 1 . 2]" 1
571 1 38 MET H 1 48 LEU HA . . 5.200 3.394 2.996 3.657 . 0 0 "[ . 1 . 2]" 1
572 1 38 MET H 1 48 LEU QD . . 6.020 4.588 3.387 5.633 . 0 0 "[ . 1 . 2]" 1
573 1 38 MET H 1 49 PHE H . . 5.100 4.744 4.195 5.106 0.006 19 0 "[ . 1 . 2]" 1
574 1 38 MET H 1 49 PHE QD . . 4.760 3.596 3.106 4.177 . 0 0 "[ . 1 . 2]" 1
575 1 38 MET HA 1 39 HIS H . . 2.930 2.260 2.171 2.370 . 0 0 "[ . 1 . 2]" 1
576 1 38 MET QB 1 47 TYR H . . 6.080 4.014 3.589 5.148 . 0 0 "[ . 1 . 2]" 1
577 1 38 MET HB2 1 39 HIS H . . 5.000 3.957 2.479 4.228 . 0 0 "[ . 1 . 2]" 1
578 1 38 MET HB3 1 39 HIS H . . 5.000 3.526 2.593 3.966 . 0 0 "[ . 1 . 2]" 1
579 1 38 MET QG 1 39 HIS H . . 5.100 2.962 2.248 4.411 . 0 0 "[ . 1 . 2]" 1
580 1 38 MET QG 1 49 PHE QD . . 5.690 4.099 2.515 5.097 . 0 0 "[ . 1 . 2]" 1
581 1 39 HIS HA 1 40 CYS H . . 3.000 2.135 2.072 2.178 . 0 0 "[ . 1 . 2]" 1
582 1 39 HIS HA 1 47 TYR H . . 4.300 3.777 3.490 4.021 . 0 0 "[ . 1 . 2]" 1
583 1 39 HIS QB 1 40 CYS H . . 5.000 3.219 2.854 3.734 . 0 0 "[ . 1 . 2]" 1
584 1 40 CYS H 1 40 CYS HB2 . . 3.380 2.453 2.281 2.747 . 0 0 "[ . 1 . 2]" 1
585 1 40 CYS H 1 40 CYS QB . . 3.120 2.177 2.099 2.275 . 0 0 "[ . 1 . 2]" 1
586 1 40 CYS H 1 40 CYS HB3 . . 3.380 2.486 2.347 3.474 0.094 4 0 "[ . 1 . 2]" 1
587 1 40 CYS H 1 41 ASP H . . 5.200 4.257 3.831 4.597 . 0 0 "[ . 1 . 2]" 1
588 1 40 CYS H 1 45 ASN H . . 4.770 3.768 3.038 4.295 . 0 0 "[ . 1 . 2]" 1
589 1 40 CYS H 1 45 ASN QB . . 6.080 3.914 3.700 4.221 . 0 0 "[ . 1 . 2]" 1
590 1 40 CYS H 1 46 HIS HA . . 4.100 3.188 2.471 3.947 . 0 0 "[ . 1 . 2]" 1
591 1 40 CYS H 1 46 HIS QB . . 6.080 4.711 3.603 5.762 . 0 0 "[ . 1 . 2]" 1
592 1 40 CYS H 1 47 TYR QD . . 5.500 3.925 3.251 4.506 . 0 0 "[ . 1 . 2]" 1
593 1 40 CYS H 1 47 TYR QE . . 5.420 4.902 3.990 5.406 . 0 0 "[ . 1 . 2]" 1
594 1 40 CYS HA 1 41 ASP H . . 2.980 2.268 2.152 2.431 . 0 0 "[ . 1 . 2]" 1
595 1 40 CYS HA 1 42 TYR H . . 4.420 3.491 3.184 3.817 . 0 0 "[ . 1 . 2]" 1
596 1 40 CYS QB 1 41 ASP H . . 5.030 3.980 3.619 4.105 . 0 0 "[ . 1 . 2]" 1
597 1 40 CYS QB 1 42 TYR H . . 6.380 3.857 2.856 4.250 . 0 0 "[ . 1 . 2]" 1
598 1 40 CYS QB 1 44 GLY H . . 4.600 2.721 2.161 3.065 . 0 0 "[ . 1 . 2]" 1
599 1 40 CYS QB 1 45 ASN H . . 3.840 2.275 1.935 2.506 . 0 0 "[ . 1 . 2]" 1
600 1 40 CYS HB2 1 41 ASP H . . 5.200 4.536 4.290 4.712 . 0 0 "[ . 1 . 2]" 1
601 1 40 CYS HB2 1 43 CYS H . . 5.000 4.425 2.906 5.056 0.056 11 0 "[ . 1 . 2]" 1
602 1 40 CYS HB2 1 44 GLY H . . 4.600 4.360 2.471 4.717 0.117 8 0 "[ . 1 . 2]" 1
603 1 40 CYS HB2 1 45 ASN H . . 4.100 3.671 2.264 4.034 . 0 0 "[ . 1 . 2]" 1
604 1 40 CYS HB3 1 41 ASP H . . 5.200 4.413 3.812 4.546 . 0 0 "[ . 1 . 2]" 1
605 1 40 CYS HB3 1 43 CYS H . . 5.000 3.190 2.280 3.754 . 0 0 "[ . 1 . 2]" 1
606 1 40 CYS HB3 1 44 GLY H . . 4.600 2.783 2.172 3.130 . 0 0 "[ . 1 . 2]" 1
607 1 40 CYS HB3 1 45 ASN H . . 4.100 2.368 1.943 3.700 . 0 0 "[ . 1 . 2]" 1
608 1 41 ASP H 1 41 ASP HB2 . . 3.970 2.579 2.298 3.627 . 0 0 "[ . 1 . 2]" 1
609 1 41 ASP H 1 41 ASP QB . . 3.660 2.246 2.156 2.451 . 0 0 "[ . 1 . 2]" 1
610 1 41 ASP H 1 41 ASP HB3 . . 3.970 2.644 2.403 3.618 . 0 0 "[ . 1 . 2]" 1
611 1 41 ASP H 1 42 TYR H . . 3.520 2.772 2.495 2.939 . 0 0 "[ . 1 . 2]" 1
612 1 41 ASP HA 1 44 GLY H . . 5.200 4.212 3.861 4.548 . 0 0 "[ . 1 . 2]" 1
613 1 41 ASP HB2 1 42 TYR H . . 5.000 4.098 3.161 4.296 . 0 0 "[ . 1 . 2]" 1
614 1 41 ASP HB3 1 42 TYR H . . 5.000 3.456 2.954 4.296 . 0 0 "[ . 1 . 2]" 1
615 1 42 TYR H 1 42 TYR HB2 . . 3.480 2.356 2.262 2.516 . 0 0 "[ . 1 . 2]" 1
616 1 42 TYR H 1 42 TYR QB . . 3.700 2.322 2.237 2.457 . 0 0 "[ . 1 . 2]" 1
617 1 42 TYR H 1 42 TYR HB3 . . 3.500 3.527 3.447 3.580 0.080 15 0 "[ . 1 . 2]" 1
618 1 42 TYR H 1 42 TYR QD . . 4.090 2.429 2.036 2.669 . 0 0 "[ . 1 . 2]" 1
619 1 42 TYR H 1 43 CYS H . . 3.000 2.517 2.145 2.774 . 0 0 "[ . 1 . 2]" 1
620 1 42 TYR H 1 44 GLY H . . 4.740 3.826 3.420 4.136 . 0 0 "[ . 1 . 2]" 1
621 1 42 TYR QB 1 43 CYS H . . 3.260 2.596 2.354 2.784 . 0 0 "[ . 1 . 2]" 1
622 1 42 TYR QB 1 43 CYS QB . . 7.120 3.681 3.220 3.946 . 0 0 "[ . 1 . 2]" 1
623 1 42 TYR HB2 1 43 CYS H . . 3.500 2.666 2.385 2.904 . 0 0 "[ . 1 . 2]" 1
624 1 42 TYR HB2 1 44 GLY H . . 5.200 4.690 4.344 4.925 . 0 0 "[ . 1 . 2]" 1
625 1 42 TYR HB3 1 43 CYS H . . 3.500 3.601 3.560 3.638 0.138 10 0 "[ . 1 . 2]" 1
626 1 42 TYR QD 1 43 CYS H . . 5.180 4.173 3.730 4.449 . 0 0 "[ . 1 . 2]" 1
627 1 43 CYS H 1 43 CYS HB2 . . 3.890 3.283 2.612 3.920 0.030 7 0 "[ . 1 . 2]" 1
628 1 43 CYS H 1 43 CYS HB3 . . 3.890 3.521 3.116 3.801 . 0 0 "[ . 1 . 2]" 1
629 1 43 CYS H 1 44 GLY H . . 3.000 2.118 1.976 2.311 . 0 0 "[ . 1 . 2]" 1
630 1 43 CYS H 1 44 GLY HA2 . . 5.200 4.425 4.248 4.609 . 0 0 "[ . 1 . 2]" 1
631 1 43 CYS H 1 44 GLY HA3 . . 5.200 4.893 4.780 5.049 . 0 0 "[ . 1 . 2]" 1
632 1 43 CYS H 1 45 ASN H . . 5.000 3.809 3.606 3.997 . 0 0 "[ . 1 . 2]" 1
633 1 43 CYS HB2 1 44 GLY H . . 5.000 3.700 2.756 4.378 . 0 0 "[ . 1 . 2]" 1
634 1 43 CYS HB2 1 45 ASN H . . 5.200 3.505 2.465 4.439 . 0 0 "[ . 1 . 2]" 1
635 1 43 CYS HB3 1 44 GLY H . . 5.000 4.307 3.870 4.601 . 0 0 "[ . 1 . 2]" 1
636 1 43 CYS HB3 1 45 ASN H . . 5.200 4.461 3.304 5.229 0.029 11 0 "[ . 1 . 2]" 1
637 1 44 GLY H 1 45 ASN H . . 3.750 2.589 2.161 2.951 . 0 0 "[ . 1 . 2]" 1
638 1 44 GLY H 1 45 ASN HA . . 5.500 5.232 4.890 5.512 0.012 17 0 "[ . 1 . 2]" 1
639 1 45 ASN H 1 45 ASN HB2 . . 3.770 2.477 2.275 3.119 . 0 0 "[ . 1 . 2]" 1
640 1 45 ASN H 1 45 ASN QB . . 3.380 2.245 2.121 2.571 . 0 0 "[ . 1 . 2]" 1
641 1 45 ASN H 1 45 ASN HB3 . . 3.770 2.723 2.366 3.564 . 0 0 "[ . 1 . 2]" 1
642 1 45 ASN H 1 46 HIS H . . 5.000 4.618 4.406 4.725 . 0 0 "[ . 1 . 2]" 1
643 1 45 ASN HA 1 46 HIS H . . 3.000 2.498 2.226 2.805 . 0 0 "[ . 1 . 2]" 1
644 1 45 ASN QB 1 46 HIS H . . 4.320 3.191 1.976 3.789 . 0 0 "[ . 1 . 2]" 1
645 1 45 ASN HB2 1 46 HIS H . . 5.000 3.939 3.203 4.339 . 0 0 "[ . 1 . 2]" 1
646 1 45 ASN HB2 1 47 TYR QE . . 5.500 4.781 3.629 5.535 0.035 5 0 "[ . 1 . 2]" 1
647 1 45 ASN HB3 1 46 HIS H . . 5.000 3.424 1.994 4.280 . 0 0 "[ . 1 . 2]" 1
648 1 45 ASN HB3 1 47 TYR QE . . 5.500 3.635 2.757 5.378 . 0 0 "[ . 1 . 2]" 1
649 1 46 HIS H 1 46 HIS HB2 . . 4.000 3.380 2.188 4.010 0.010 19 0 "[ . 1 . 2]" 1
650 1 46 HIS H 1 46 HIS HB3 . . 3.470 3.210 2.783 3.596 0.126 4 0 "[ . 1 . 2]" 1
651 1 46 HIS H 1 46 HIS HD2 . . 3.940 3.264 2.499 3.991 0.051 18 0 "[ . 1 . 2]" 1
652 1 46 HIS H 1 47 TYR H . . 5.200 4.557 4.419 4.696 . 0 0 "[ . 1 . 2]" 1
653 1 46 HIS HA 1 47 TYR H . . 3.000 2.345 2.167 2.494 . 0 0 "[ . 1 . 2]" 1
654 1 46 HIS HA 1 47 TYR QB . . 6.380 4.148 4.021 4.401 . 0 0 "[ . 1 . 2]" 1
655 1 46 HIS QB 1 47 TYR H . . 4.350 2.664 2.528 2.903 . 0 0 "[ . 1 . 2]" 1
656 1 46 HIS HB2 1 47 TYR H . . 4.510 3.100 2.559 4.142 . 0 0 "[ . 1 . 2]" 1
657 1 46 HIS HB3 1 47 TYR H . . 4.510 3.575 2.592 4.065 . 0 0 "[ . 1 . 2]" 1
658 1 47 TYR H 1 47 TYR HB2 . . 4.100 2.755 2.647 2.833 . 0 0 "[ . 1 . 2]" 1
659 1 47 TYR H 1 47 TYR QB . . 3.840 2.692 2.593 2.760 . 0 0 "[ . 1 . 2]" 1
660 1 47 TYR H 1 47 TYR HB3 . . 4.100 3.784 3.661 3.866 . 0 0 "[ . 1 . 2]" 1
661 1 47 TYR H 1 47 TYR QD . . 3.770 3.651 2.923 3.825 0.055 1 0 "[ . 1 . 2]" 1
662 1 47 TYR H 1 48 LEU H . . 5.200 4.276 4.151 4.325 . 0 0 "[ . 1 . 2]" 1
663 1 47 TYR H 1 48 LEU HA . . 4.350 4.556 4.439 4.623 0.273 19 0 "[ . 1 . 2]" 1
664 1 47 TYR H 1 48 LEU QD . . 7.070 4.878 3.916 5.638 . 0 0 "[ . 1 . 2]" 1
665 1 47 TYR HA 1 48 LEU H . . 2.800 2.268 2.179 2.331 . 0 0 "[ . 1 . 2]" 1
666 1 47 TYR HB2 1 48 LEU H . . 5.000 4.009 3.838 4.337 . 0 0 "[ . 1 . 2]" 1
667 1 47 TYR HB3 1 48 LEU H . . 5.000 2.843 2.572 3.282 . 0 0 "[ . 1 . 2]" 1
668 1 47 TYR QD 1 48 LEU H . . 5.200 3.564 3.106 4.313 . 0 0 "[ . 1 . 2]" 1
669 1 48 LEU H 1 48 LEU HB2 . . 4.000 3.170 2.446 3.837 . 0 0 "[ . 1 . 2]" 1
670 1 48 LEU H 1 48 LEU QB . . 3.470 2.625 2.134 2.972 . 0 0 "[ . 1 . 2]" 1
671 1 48 LEU H 1 48 LEU HB3 . . 4.000 3.168 2.232 3.748 . 0 0 "[ . 1 . 2]" 1
672 1 48 LEU H 1 48 LEU HG . . 4.000 3.200 2.202 4.200 0.200 6 0 "[ . 1 . 2]" 1
673 1 48 LEU H 1 49 PHE H . . 5.000 4.507 4.449 4.581 . 0 0 "[ . 1 . 2]" 1
674 1 48 LEU HA 1 49 PHE H . . 2.890 2.235 2.182 2.287 . 0 0 "[ . 1 . 2]" 1
675 1 48 LEU QB 1 49 PHE H . . 4.490 3.004 2.784 3.762 . 0 0 "[ . 1 . 2]" 1
676 1 48 LEU HB2 1 49 PHE H . . 4.950 3.543 2.834 4.194 . 0 0 "[ . 1 . 2]" 1
677 1 48 LEU HB3 1 49 PHE H . . 4.950 3.663 2.858 4.279 . 0 0 "[ . 1 . 2]" 1
678 1 48 LEU QD 1 49 PHE H . . 5.540 3.454 2.093 4.133 . 0 0 "[ . 1 . 2]" 1
679 1 48 LEU HG 1 49 PHE H . . 5.500 4.368 2.903 5.187 . 0 0 "[ . 1 . 2]" 1
680 1 49 PHE H 1 49 PHE QB . . 3.860 2.624 2.580 2.708 . 0 0 "[ . 1 . 2]" 1
681 1 49 PHE H 1 49 PHE QD . . 3.580 2.986 2.748 3.168 . 0 0 "[ . 1 . 2]" 1
682 1 49 PHE H 1 50 ASN H . . 5.000 4.375 4.249 4.451 . 0 0 "[ . 1 . 2]" 1
683 1 49 PHE HA 1 50 ASN H . . 2.500 2.189 2.112 2.276 . 0 0 "[ . 1 . 2]" 1
684 1 49 PHE HA 1 53 ASP H . . 5.200 5.210 4.941 5.366 0.166 12 0 "[ . 1 . 2]" 1
685 1 49 PHE HA 1 53 ASP QB . . 6.380 3.091 2.909 3.279 . 0 0 "[ . 1 . 2]" 1
686 1 49 PHE QB 1 50 ASN H . . 4.190 3.007 2.718 3.360 . 0 0 "[ . 1 . 2]" 1
687 1 49 PHE QB 1 53 ASP H . . 6.300 5.075 4.641 5.538 . 0 0 "[ . 1 . 2]" 1
688 1 49 PHE QB 1 54 ILE H . . 6.380 3.985 3.461 4.293 . 0 0 "[ . 1 . 2]" 1
689 1 49 PHE HB2 1 50 ASN H . . 4.500 4.094 3.792 4.347 . 0 0 "[ . 1 . 2]" 1
690 1 49 PHE HB2 1 54 ILE MD . . 5.500 2.842 2.532 3.527 . 0 0 "[ . 1 . 2]" 1
691 1 49 PHE HB3 1 50 ASN H . . 4.500 3.096 2.784 3.497 . 0 0 "[ . 1 . 2]" 1
692 1 49 PHE HB3 1 54 ILE MD . . 5.500 2.785 2.192 3.430 . 0 0 "[ . 1 . 2]" 1
693 1 49 PHE QD 1 50 ASN H . . 4.410 4.087 3.769 4.418 0.008 14 0 "[ . 1 . 2]" 1
694 1 49 PHE QD 1 53 ASP HB2 . . 4.910 3.927 3.016 4.956 0.046 1 0 "[ . 1 . 2]" 1
695 1 49 PHE QD 1 53 ASP QB . . 4.280 2.824 2.149 3.644 . 0 0 "[ . 1 . 2]" 1
696 1 49 PHE QD 1 53 ASP HB3 . . 4.910 2.899 2.185 3.750 . 0 0 "[ . 1 . 2]" 1
697 1 49 PHE QD 1 54 ILE H . . 5.500 4.871 4.401 5.385 . 0 0 "[ . 1 . 2]" 1
698 1 50 ASN H 1 50 ASN QB . . 3.820 2.741 2.455 3.059 . 0 0 "[ . 1 . 2]" 1
699 1 50 ASN H 1 51 ALA H . . 5.000 4.513 4.385 4.648 . 0 0 "[ . 1 . 2]" 1
700 1 50 ASN H 1 53 ASP H . . 4.200 3.352 3.059 3.704 . 0 0 "[ . 1 . 2]" 1
701 1 50 ASN H 1 53 ASP HB2 . . 3.510 2.550 1.949 3.191 . 0 0 "[ . 1 . 2]" 1
702 1 50 ASN H 1 53 ASP HB3 . . 3.510 2.963 2.053 3.601 0.091 10 0 "[ . 1 . 2]" 1
703 1 50 ASN H 1 54 ILE H . . 5.000 3.897 3.541 4.428 . 0 0 "[ . 1 . 2]" 1
704 1 50 ASN HA 1 51 ALA H . . 3.000 2.483 2.414 2.551 . 0 0 "[ . 1 . 2]" 1
705 1 50 ASN HA 1 52 MET H . . 5.200 4.567 4.384 4.715 . 0 0 "[ . 1 . 2]" 1
706 1 50 ASN QB 1 52 MET H . . 4.860 3.033 2.648 3.512 . 0 0 "[ . 1 . 2]" 1
707 1 50 ASN QB 1 53 ASP H . . 6.380 3.309 2.447 4.134 . 0 0 "[ . 1 . 2]" 1
708 1 50 ASN HB2 1 51 ALA H . . 3.400 2.922 2.128 3.554 0.154 5 0 "[ . 1 . 2]" 1
709 1 50 ASN HB2 1 52 MET H . . 5.000 3.285 2.841 4.712 . 0 0 "[ . 1 . 2]" 1
710 1 50 ASN HB3 1 51 ALA H . . 3.500 2.954 2.255 3.636 0.136 2 0 "[ . 1 . 2]" 1
711 1 50 ASN HB3 1 52 MET H . . 5.000 3.866 2.933 4.835 . 0 0 "[ . 1 . 2]" 1
712 1 50 ASN QD 1 51 ALA H . . 6.370 4.634 2.408 5.134 . 0 0 "[ . 1 . 2]" 1
713 1 51 ALA H 1 51 ALA MB . . 2.900 2.208 2.196 2.221 . 0 0 "[ . 1 . 2]" 1
714 1 51 ALA H 1 52 MET H . . 3.800 2.897 2.748 3.015 . 0 0 "[ . 1 . 2]" 1
715 1 51 ALA H 1 53 ASP H . . 5.000 4.370 4.255 4.460 . 0 0 "[ . 1 . 2]" 1
716 1 51 ALA HA 1 53 ASP H . . 5.000 4.497 4.311 4.684 . 0 0 "[ . 1 . 2]" 1
717 1 51 ALA HA 1 54 ILE H . . 4.000 3.674 3.534 3.801 . 0 0 "[ . 1 . 2]" 1
718 1 51 ALA HA 1 54 ILE HB . . 3.800 2.685 2.413 2.892 . 0 0 "[ . 1 . 2]" 1
719 1 51 ALA HA 1 54 ILE MD . . 3.580 3.074 2.384 3.456 . 0 0 "[ . 1 . 2]" 1
720 1 51 ALA HA 1 55 ALA H . . 5.000 4.079 3.943 4.192 . 0 0 "[ . 1 . 2]" 1
721 1 51 ALA MB 1 52 MET H . . 3.300 2.636 2.560 2.708 . 0 0 "[ . 1 . 2]" 1
722 1 51 ALA MB 1 53 ASP H . . 4.650 4.643 4.582 4.682 0.032 6 0 "[ . 1 . 2]" 1
723 1 52 MET H 1 52 MET QB . . 3.400 2.493 2.397 2.641 . 0 0 "[ . 1 . 2]" 1
724 1 52 MET H 1 52 MET HG2 . . 3.900 2.907 2.096 3.765 . 0 0 "[ . 1 . 2]" 1
725 1 52 MET H 1 52 MET HG3 . . 3.900 3.173 2.175 3.788 . 0 0 "[ . 1 . 2]" 1
726 1 52 MET H 1 53 ASP H . . 2.950 2.692 2.607 2.751 . 0 0 "[ . 1 . 2]" 1
727 1 52 MET H 1 53 ASP HA . . 5.500 5.356 5.305 5.412 . 0 0 "[ . 1 . 2]" 1
728 1 52 MET H 1 53 ASP QB . . 5.880 4.531 4.305 4.774 . 0 0 "[ . 1 . 2]" 1
729 1 52 MET H 1 54 ILE H . . 5.000 4.247 4.136 4.401 . 0 0 "[ . 1 . 2]" 1
730 1 52 MET HA 1 54 ILE H . . 5.200 4.620 4.464 4.748 . 0 0 "[ . 1 . 2]" 1
731 1 52 MET HA 1 55 ALA H . . 3.900 3.451 3.277 3.744 . 0 0 "[ . 1 . 2]" 1
732 1 52 MET HA 1 55 ALA MB . . 3.460 2.570 2.360 2.916 . 0 0 "[ . 1 . 2]" 1
733 1 52 MET HA 1 56 GLU H . . 5.100 4.452 4.067 5.105 0.005 5 0 "[ . 1 . 2]" 1
734 1 52 MET QB 1 53 ASP H . . 4.080 2.893 2.652 3.642 . 0 0 "[ . 1 . 2]" 1
735 1 52 MET HG2 1 53 ASP H . . 5.300 4.469 2.548 5.161 . 0 0 "[ . 1 . 2]" 1
736 1 52 MET HG3 1 53 ASP H . . 5.300 4.524 2.425 5.164 . 0 0 "[ . 1 . 2]" 1
737 1 53 ASP H 1 53 ASP HB2 . . 3.550 2.366 2.204 2.501 . 0 0 "[ . 1 . 2]" 1
738 1 53 ASP H 1 53 ASP QB . . 3.170 2.277 2.122 2.457 . 0 0 "[ . 1 . 2]" 1
739 1 53 ASP H 1 53 ASP HB3 . . 3.550 3.113 2.525 3.601 0.051 15 0 "[ . 1 . 2]" 1
740 1 53 ASP H 1 54 ILE H . . 3.200 2.615 2.495 2.713 . 0 0 "[ . 1 . 2]" 1
741 1 53 ASP H 1 54 ILE HB . . 5.000 4.532 4.383 4.672 . 0 0 "[ . 1 . 2]" 1
742 1 53 ASP H 1 55 ALA H . . 5.000 3.990 3.888 4.120 . 0 0 "[ . 1 . 2]" 1
743 1 53 ASP HA 1 55 ALA H . . 5.200 4.389 4.241 4.559 . 0 0 "[ . 1 . 2]" 1
744 1 53 ASP HA 1 56 GLU H . . 4.000 3.526 3.282 3.884 . 0 0 "[ . 1 . 2]" 1
745 1 53 ASP HA 1 56 GLU QB . . 4.830 3.139 2.648 4.363 . 0 0 "[ . 1 . 2]" 1
746 1 53 ASP HA 1 57 ILE H . . 5.100 4.313 4.100 4.866 . 0 0 "[ . 1 . 2]" 1
747 1 53 ASP QB 1 54 ILE H . . 3.690 2.460 2.287 2.693 . 0 0 "[ . 1 . 2]" 1
748 1 53 ASP HB2 1 54 ILE H . . 3.950 3.080 2.325 3.755 . 0 0 "[ . 1 . 2]" 1
749 1 53 ASP HB2 1 55 ALA H . . 5.500 5.276 4.890 5.607 0.107 2 0 "[ . 1 . 2]" 1
750 1 53 ASP HB3 1 54 ILE H . . 3.950 2.978 2.451 3.482 . 0 0 "[ . 1 . 2]" 1
751 1 53 ASP HB3 1 55 ALA H . . 5.500 5.231 4.879 5.544 0.044 13 0 "[ . 1 . 2]" 1
752 1 54 ILE H 1 54 ILE HB . . 3.000 2.276 2.222 2.356 . 0 0 "[ . 1 . 2]" 1
753 1 54 ILE H 1 54 ILE MD . . 4.120 3.243 2.213 3.441 . 0 0 "[ . 1 . 2]" 1
754 1 54 ILE H 1 54 ILE HG12 . . 3.760 3.720 3.597 3.874 0.114 9 0 "[ . 1 . 2]" 1
755 1 54 ILE H 1 54 ILE QG . . 3.560 2.440 2.231 3.409 . 0 0 "[ . 1 . 2]" 1
756 1 54 ILE H 1 54 ILE HG13 . . 3.760 2.500 2.253 3.785 0.025 4 0 "[ . 1 . 2]" 1
757 1 54 ILE H 1 54 ILE MG . . 3.670 3.713 3.685 3.736 0.066 7 0 "[ . 1 . 2]" 1
758 1 54 ILE H 1 55 ALA H . . 3.000 2.713 2.630 2.784 . 0 0 "[ . 1 . 2]" 1
759 1 54 ILE H 1 55 ALA MB . . 4.390 4.386 4.347 4.423 0.033 11 0 "[ . 1 . 2]" 1
760 1 54 ILE H 1 56 GLU H . . 5.000 4.261 4.125 4.487 . 0 0 "[ . 1 . 2]" 1
761 1 54 ILE H 1 57 ILE MD . . 4.790 3.899 3.614 4.050 . 0 0 "[ . 1 . 2]" 1
762 1 54 ILE HA 1 54 ILE MD . . 4.060 3.708 2.711 3.909 . 0 0 "[ . 1 . 2]" 1
763 1 54 ILE HA 1 54 ILE MG . . 3.140 2.563 2.492 2.644 . 0 0 "[ . 1 . 2]" 1
764 1 54 ILE HA 1 56 GLU H . . 5.200 4.280 3.942 4.688 . 0 0 "[ . 1 . 2]" 1
765 1 54 ILE HA 1 57 ILE H . . 4.000 3.268 2.966 3.631 . 0 0 "[ . 1 . 2]" 1
766 1 54 ILE HA 1 57 ILE HB . . 3.470 2.306 2.158 2.518 . 0 0 "[ . 1 . 2]" 1
767 1 54 ILE HA 1 57 ILE MD . . 4.280 2.340 2.140 2.735 . 0 0 "[ . 1 . 2]" 1
768 1 54 ILE HA 1 58 ARG H . . 5.000 3.911 3.679 4.038 . 0 0 "[ . 1 . 2]" 1
769 1 54 ILE HB 1 54 ILE MD . . 3.600 2.393 2.339 2.513 . 0 0 "[ . 1 . 2]" 1
770 1 54 ILE HB 1 55 ALA H . . 3.100 2.913 2.696 3.099 . 0 0 "[ . 1 . 2]" 1
771 1 54 ILE MD 1 55 ALA H . . 5.500 4.750 4.304 4.992 . 0 0 "[ . 1 . 2]" 1
772 1 54 ILE QG 1 55 ALA H . . 4.890 4.339 4.227 4.632 . 0 0 "[ . 1 . 2]" 1
773 1 54 ILE HG12 1 55 ALA H . . 5.200 5.226 5.173 5.262 0.062 11 0 "[ . 1 . 2]" 1
774 1 54 ILE HG13 1 55 ALA H . . 5.200 4.643 4.475 5.163 . 0 0 "[ . 1 . 2]" 1
775 1 54 ILE MG 1 55 ALA H . . 3.650 3.379 3.129 3.481 . 0 0 "[ . 1 . 2]" 1
776 1 54 ILE MG 1 55 ALA HA . . 5.140 3.523 3.336 3.599 . 0 0 "[ . 1 . 2]" 1
777 1 55 ALA H 1 55 ALA MB . . 2.820 2.240 2.207 2.271 . 0 0 "[ . 1 . 2]" 1
778 1 55 ALA H 1 56 GLU H . . 3.000 2.775 2.688 2.912 . 0 0 "[ . 1 . 2]" 1
779 1 55 ALA H 1 56 GLU QB . . 5.750 4.810 4.658 5.296 . 0 0 "[ . 1 . 2]" 1
780 1 55 ALA H 1 57 ILE H . . 5.000 4.232 4.106 4.410 . 0 0 "[ . 1 . 2]" 1
781 1 55 ALA H 1 57 ILE MD . . 5.500 5.145 4.939 5.364 . 0 0 "[ . 1 . 2]" 1
782 1 55 ALA HA 1 57 ILE H . . 5.200 4.620 4.460 4.844 . 0 0 "[ . 1 . 2]" 1
783 1 55 ALA HA 1 58 ARG H . . 4.800 3.600 3.379 3.852 . 0 0 "[ . 1 . 2]" 1
784 1 55 ALA HA 1 59 ASN H . . 5.200 4.754 4.038 5.078 . 0 0 "[ . 1 . 2]" 1
785 1 55 ALA MB 1 56 GLU H . . 2.940 2.713 2.619 2.795 . 0 0 "[ . 1 . 2]" 1
786 1 55 ALA MB 1 56 GLU HA . . 5.500 4.052 3.977 4.086 . 0 0 "[ . 1 . 2]" 1
787 1 55 ALA MB 1 57 ILE H . . 4.890 4.684 4.587 4.741 . 0 0 "[ . 1 . 2]" 1
788 1 55 ALA MB 1 58 ARG H . . 5.500 4.757 4.616 4.926 . 0 0 "[ . 1 . 2]" 1
789 1 55 ALA MB 1 59 ASN H . . 5.500 5.263 4.577 5.545 0.045 20 0 "[ . 1 . 2]" 1
790 1 55 ALA MB 1 59 ASN HD21 . . 5.500 3.799 3.152 4.738 . 0 0 "[ . 1 . 2]" 1
791 1 55 ALA MB 1 59 ASN HD22 . . 5.500 4.312 3.554 5.573 0.073 11 0 "[ . 1 . 2]" 1
792 1 56 GLU H 1 56 GLU QB . . 3.300 2.395 2.313 2.690 . 0 0 "[ . 1 . 2]" 1
793 1 56 GLU H 1 56 GLU HG2 . . 4.000 3.221 2.220 3.807 . 0 0 "[ . 1 . 2]" 1
794 1 56 GLU H 1 56 GLU QG . . 3.690 2.527 2.184 2.647 . 0 0 "[ . 1 . 2]" 1
795 1 56 GLU H 1 56 GLU HG3 . . 4.000 3.018 2.432 3.786 . 0 0 "[ . 1 . 2]" 1
796 1 56 GLU H 1 57 ILE H . . 3.000 2.587 2.527 2.639 . 0 0 "[ . 1 . 2]" 1
797 1 56 GLU H 1 57 ILE HA . . 5.500 5.272 5.216 5.327 . 0 0 "[ . 1 . 2]" 1
798 1 56 GLU H 1 57 ILE HB . . 4.520 4.548 4.528 4.570 0.050 16 0 "[ . 1 . 2]" 1
799 1 56 GLU H 1 57 ILE MD . . 5.100 4.914 4.708 5.031 . 0 0 "[ . 1 . 2]" 1
800 1 56 GLU H 1 57 ILE QG . . 6.380 4.399 4.013 4.557 . 0 0 "[ . 1 . 2]" 1
801 1 56 GLU H 1 58 ARG H . . 5.000 4.090 3.930 4.293 . 0 0 "[ . 1 . 2]" 1
802 1 56 GLU HA 1 56 GLU HG2 . . 4.090 2.641 2.362 3.828 . 0 0 "[ . 1 . 2]" 1
803 1 56 GLU HA 1 56 GLU HG3 . . 4.090 3.333 2.901 3.791 . 0 0 "[ . 1 . 2]" 1
804 1 56 GLU HA 1 58 ARG H . . 5.200 4.369 4.195 4.578 . 0 0 "[ . 1 . 2]" 1
805 1 56 GLU HA 1 59 ASN H . . 3.510 3.427 3.024 3.546 0.036 4 0 "[ . 1 . 2]" 1
806 1 56 GLU HA 1 59 ASN QB . . 4.880 3.125 2.288 4.552 . 0 0 "[ . 1 . 2]" 1
807 1 56 GLU QB 1 57 ILE H . . 4.270 2.700 2.548 3.606 . 0 0 "[ . 1 . 2]" 1
808 1 56 GLU QB 1 58 ARG H . . 6.380 4.795 4.658 5.347 . 0 0 "[ . 1 . 2]" 1
809 1 56 GLU QB 1 59 ASN H . . 6.380 4.721 4.589 4.922 . 0 0 "[ . 1 . 2]" 1
810 1 56 GLU QG 1 57 ILE H . . 5.820 4.148 2.423 4.375 . 0 0 "[ . 1 . 2]" 1
811 1 57 ILE H 1 57 ILE HB . . 2.620 2.333 2.257 2.422 . 0 0 "[ . 1 . 2]" 1
812 1 57 ILE H 1 57 ILE MD . . 3.380 3.366 3.234 3.451 0.071 11 0 "[ . 1 . 2]" 1
813 1 57 ILE H 1 57 ILE HG12 . . 4.300 3.698 3.387 3.810 . 0 0 "[ . 1 . 2]" 1
814 1 57 ILE H 1 57 ILE QG . . 3.840 2.309 2.047 2.429 . 0 0 "[ . 1 . 2]" 1
815 1 57 ILE H 1 57 ILE HG13 . . 4.300 2.333 2.064 2.457 . 0 0 "[ . 1 . 2]" 1
816 1 57 ILE H 1 58 ARG H . . 3.000 2.762 2.700 2.890 . 0 0 "[ . 1 . 2]" 1
817 1 57 ILE HA 1 57 ILE QG . . 3.840 2.362 2.317 2.403 . 0 0 "[ . 1 . 2]" 1
818 1 57 ILE HA 1 57 ILE MG . . 3.500 2.576 2.495 2.641 . 0 0 "[ . 1 . 2]" 1
819 1 57 ILE HA 1 59 ASN H . . 5.000 4.033 3.754 4.591 . 0 0 "[ . 1 . 2]" 1
820 1 57 ILE HA 1 60 ASN H . . 5.200 3.655 3.434 4.137 . 0 0 "[ . 1 . 2]" 1
821 1 57 ILE HB 1 57 ILE MD . . 3.310 2.363 2.323 2.424 . 0 0 "[ . 1 . 2]" 1
822 1 57 ILE HB 1 58 ARG H . . 3.290 2.742 2.634 2.872 . 0 0 "[ . 1 . 2]" 1
823 1 57 ILE HB 1 59 ASN H . . 5.130 5.016 4.882 5.152 0.022 11 0 "[ . 1 . 2]" 1
824 1 57 ILE MD 1 58 ARG H . . 5.400 4.649 4.574 4.760 . 0 0 "[ . 1 . 2]" 1
825 1 57 ILE QG 1 58 ARG H . . 6.380 4.255 4.113 4.344 . 0 0 "[ . 1 . 2]" 1
826 1 57 ILE MG 1 58 ARG H . . 3.690 3.291 3.066 3.481 . 0 0 "[ . 1 . 2]" 1
827 1 57 ILE MG 1 58 ARG HA . . 3.660 3.510 3.237 3.693 0.033 5 0 "[ . 1 . 2]" 1
828 1 57 ILE MG 1 59 ASN H . . 5.500 4.797 4.601 5.214 . 0 0 "[ . 1 . 2]" 1
829 1 58 ARG H 1 58 ARG HB2 . . 3.900 2.369 2.222 3.677 . 0 0 "[ . 1 . 2]" 1
830 1 58 ARG H 1 58 ARG QB . . 3.110 2.251 2.103 2.527 . 0 0 "[ . 1 . 2]" 1
831 1 58 ARG H 1 58 ARG HB3 . . 3.560 3.269 2.497 3.584 0.024 9 0 "[ . 1 . 2]" 1
832 1 58 ARG H 1 58 ARG QD . . 5.630 4.041 3.483 4.666 . 0 0 "[ . 1 . 2]" 1
833 1 58 ARG H 1 58 ARG QG . . 5.000 2.944 2.285 3.995 . 0 0 "[ . 1 . 2]" 1
834 1 58 ARG H 1 59 ASN H . . 3.000 2.721 2.596 2.912 . 0 0 "[ . 1 . 2]" 1
835 1 58 ARG H 1 59 ASN QB . . 6.380 4.695 4.262 5.105 . 0 0 "[ . 1 . 2]" 1
836 1 58 ARG H 1 60 ASN H . . 5.000 4.236 4.087 4.345 . 0 0 "[ . 1 . 2]" 1
837 1 58 ARG H 1 61 ALA H . . 4.780 4.800 4.501 4.916 0.136 15 0 "[ . 1 . 2]" 1
838 1 58 ARG HA 1 58 ARG QD . . 5.060 3.743 2.050 4.545 . 0 0 "[ . 1 . 2]" 1
839 1 58 ARG HA 1 60 ASN H . . 5.000 4.111 3.608 4.739 . 0 0 "[ . 1 . 2]" 1
840 1 58 ARG QB 1 59 ASN H . . 3.670 3.136 2.729 3.606 . 0 0 "[ . 1 . 2]" 1
841 1 58 ARG QB 1 60 ASN H . . 6.080 4.812 4.648 5.006 . 0 0 "[ . 1 . 2]" 1
842 1 58 ARG HB2 1 59 ASN H . . 4.000 3.535 2.826 4.082 0.082 7 0 "[ . 1 . 2]" 1
843 1 58 ARG HB3 1 59 ASN H . . 4.000 3.725 2.948 4.080 0.080 4 0 "[ . 1 . 2]" 1
844 1 58 ARG QD 1 59 ASN H . . 6.100 5.221 4.444 5.852 . 0 0 "[ . 1 . 2]" 1
845 1 58 ARG QG 1 59 ASN H . . 6.000 4.343 2.520 4.722 . 0 0 "[ . 1 . 2]" 1
846 1 59 ASN H 1 59 ASN QB . . 3.400 2.539 2.249 3.054 . 0 0 "[ . 1 . 2]" 1
847 1 59 ASN H 1 60 ASN H . . 3.000 2.317 1.997 2.616 . 0 0 "[ . 1 . 2]" 1
848 1 59 ASN H 1 61 ALA H . . 5.500 3.636 3.205 4.162 . 0 0 "[ . 1 . 2]" 1
849 1 59 ASN HA 1 60 ASN H . . 3.200 3.209 2.884 3.431 0.231 16 0 "[ . 1 . 2]" 1
850 1 60 ASN H 1 60 ASN HB2 . . 3.410 2.996 2.594 3.221 . 0 0 "[ . 1 . 2]" 1
851 1 60 ASN H 1 60 ASN QB . . 3.090 2.607 2.232 2.804 . 0 0 "[ . 1 . 2]" 1
852 1 60 ASN H 1 60 ASN HB3 . . 3.410 2.951 2.388 3.534 0.124 19 0 "[ . 1 . 2]" 1
853 1 60 ASN H 1 61 ALA H . . 3.200 2.218 1.817 2.932 . 0 0 "[ . 1 . 2]" 1
854 1 60 ASN HA 1 60 ASN HD22 . . 5.500 4.222 3.645 4.695 . 0 0 "[ . 1 . 2]" 1
855 1 60 ASN HB2 1 61 ALA H . . 5.200 4.270 3.898 4.694 . 0 0 "[ . 1 . 2]" 1
856 1 60 ASN HB3 1 61 ALA H . . 5.200 3.421 2.553 4.427 . 0 0 "[ . 1 . 2]" 1
857 1 61 ALA H 1 61 ALA MB . . 3.540 2.534 2.162 2.817 . 0 0 "[ . 1 . 2]" 1
858 1 61 ALA H 1 62 SER H . . 5.000 2.954 1.980 4.660 . 0 0 "[ . 1 . 2]" 1
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