NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406351 |
1xn7   |
6367 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xn7
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 832
_Distance_constraint_stats_list.Viol_count 1209
_Distance_constraint_stats_list.Viol_total 744.324
_Distance_constraint_stats_list.Viol_max 0.191
_Distance_constraint_stats_list.Viol_rms 0.0110
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0308
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 0.382 0.069 16 0 "[ . 1 . 2]"
1 4 LEU 1.715 0.081 13 0 "[ . 1 . 2]"
1 5 ILE 5.056 0.136 20 0 "[ . 1 . 2]"
1 6 GLN 0.998 0.047 12 0 "[ . 1 . 2]"
1 7 VAL 0.049 0.027 6 0 "[ . 1 . 2]"
1 8 ARG 1.157 0.101 19 0 "[ . 1 . 2]"
1 9 ASP 1.159 0.034 9 0 "[ . 1 . 2]"
1 10 LEU 1.278 0.061 15 0 "[ . 1 . 2]"
1 11 LEU 0.047 0.012 12 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 1.685 0.066 18 0 "[ . 1 . 2]"
1 14 ARG 1.273 0.066 18 0 "[ . 1 . 2]"
1 15 GLY 0.452 0.065 15 0 "[ . 1 . 2]"
1 16 ARG 0.196 0.061 5 0 "[ . 1 . 2]"
1 17 MET 1.197 0.081 15 0 "[ . 1 . 2]"
1 18 GLU 0.869 0.081 15 0 "[ . 1 . 2]"
1 19 ALA 0.189 0.042 6 0 "[ . 1 . 2]"
1 20 ALA 0.011 0.011 10 0 "[ . 1 . 2]"
1 21 GLN 0.664 0.053 12 0 "[ . 1 . 2]"
1 22 ILE 0.607 0.088 16 0 "[ . 1 . 2]"
1 23 SER 0.397 0.078 6 0 "[ . 1 . 2]"
1 24 GLN 1.472 0.107 20 0 "[ . 1 . 2]"
1 25 THR 1.999 0.114 20 0 "[ . 1 . 2]"
1 26 LEU 0.527 0.107 20 0 "[ . 1 . 2]"
1 27 ASN 0.005 0.005 8 0 "[ . 1 . 2]"
1 28 THR 0.675 0.114 20 0 "[ . 1 . 2]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.071 0.034 20 0 "[ . 1 . 2]"
1 31 PRO 2.258 0.116 16 0 "[ . 1 . 2]"
1 32 MET 2.313 0.116 16 0 "[ . 1 . 2]"
1 33 ILE 0.752 0.038 12 0 "[ . 1 . 2]"
1 34 ASN 0.226 0.034 20 0 "[ . 1 . 2]"
1 35 ALA 0.583 0.060 7 0 "[ . 1 . 2]"
1 36 MET 2.013 0.186 19 0 "[ . 1 . 2]"
1 37 LEU 2.390 0.092 7 0 "[ . 1 . 2]"
1 38 GLN 0.412 0.060 7 0 "[ . 1 . 2]"
1 39 GLN 0.109 0.014 4 0 "[ . 1 . 2]"
1 40 LEU 0.054 0.011 10 0 "[ . 1 . 2]"
1 41 GLU 2.605 0.102 1 0 "[ . 1 . 2]"
1 42 SER 0.106 0.014 4 0 "[ . 1 . 2]"
1 43 MET 0.343 0.028 17 0 "[ . 1 . 2]"
1 44 GLY 1.315 0.060 17 0 "[ . 1 . 2]"
1 45 LYS 1.812 0.091 15 0 "[ . 1 . 2]"
1 46 ALA 1.577 0.091 15 0 "[ . 1 . 2]"
1 47 VAL 0.033 0.008 6 0 "[ . 1 . 2]"
1 48 ARG 0.258 0.024 9 0 "[ . 1 . 2]"
1 49 ILE 0.055 0.020 17 0 "[ . 1 . 2]"
1 50 GLN 0.738 0.051 1 0 "[ . 1 . 2]"
1 51 GLU 1.446 0.051 1 0 "[ . 1 . 2]"
1 52 GLU 0.042 0.018 19 0 "[ . 1 . 2]"
1 53 PRO 0.948 0.035 16 0 "[ . 1 . 2]"
1 54 ASP 0.978 0.035 16 0 "[ . 1 . 2]"
1 55 GLY 0.031 0.016 8 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 0.604 0.059 5 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.654 0.035 10 0 "[ . 1 . 2]"
1 66 GLU 1.466 0.191 18 0 "[ . 1 . 2]"
1 67 GLY 0.365 0.191 18 0 "[ . 1 . 2]"
1 68 LYS 0.008 0.005 4 0 "[ . 1 . 2]"
1 69 ALA 0.008 0.005 4 0 "[ . 1 . 2]"
1 70 CYS 0.009 0.007 20 0 "[ . 1 . 2]"
1 71 LEU 1.836 0.068 11 0 "[ . 1 . 2]"
1 72 ARG 0.995 0.057 17 0 "[ . 1 . 2]"
1 73 GLU 0.180 0.035 12 0 "[ . 1 . 2]"
1 74 TRP 0.651 0.036 1 0 "[ . 1 . 2]"
1 75 TRP 0.318 0.073 12 0 "[ . 1 . 2]"
1 76 ALA 0.134 0.025 17 0 "[ . 1 . 2]"
1 77 LEU 0.005 0.005 18 0 "[ . 1 . 2]"
1 78 ARG 1.334 0.072 14 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 ALA HA 1 3 SER HA . . 5.500 4.494 4.304 4.741 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 3 SER HA . . 6.530 3.822 3.567 4.097 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 7 VAL QG . . 9.120 4.505 3.698 5.311 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 26 LEU MD1 . . 6.350 1.970 1.639 2.411 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA MB 1 26 LEU HG . . 5.880 4.101 3.477 4.527 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 28 THR HB . . 6.190 3.677 1.960 5.002 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 28 THR MG . . 6.590 3.885 2.477 4.362 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 33 ILE MD . . 6.780 3.648 1.914 4.321 . 0 0 "[ . 1 . 2]" 1
9 1 3 SER H 1 4 LEU H . . 5.130 4.370 4.284 4.600 . 0 0 "[ . 1 . 2]" 1
10 1 3 SER HA 1 3 SER HB3 . . 2.590 2.365 2.325 2.395 . 0 0 "[ . 1 . 2]" 1
11 1 3 SER HA 1 4 LEU H . . 2.490 2.498 2.421 2.559 0.069 16 0 "[ . 1 . 2]" 1
12 1 3 SER HB3 1 4 LEU H . . 3.730 3.669 3.553 3.741 0.011 15 0 "[ . 1 . 2]" 1
13 1 3 SER HB3 1 5 ILE H . . 5.500 4.288 4.176 4.409 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU H 1 4 LEU HB3 . . 3.390 3.260 2.919 3.386 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU H 1 4 LEU HG . . 5.500 3.722 3.053 4.544 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU H 1 5 ILE H . . 3.520 2.605 2.420 2.736 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU H 1 6 GLN H . . 5.500 4.103 3.863 4.285 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU HA 1 5 ILE H . . 3.520 3.581 3.567 3.601 0.081 13 0 "[ . 1 . 2]" 1
19 1 4 LEU HA 1 6 GLN H . . 4.790 4.048 3.660 4.247 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU HA 1 7 VAL H . . 4.230 3.271 3.093 3.428 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU HA 1 7 VAL HB . . 4.320 3.460 2.736 4.276 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU HA 1 7 VAL QG . . 6.630 2.622 1.885 3.417 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU HA 1 8 ARG H . . 5.500 3.804 3.593 4.169 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU HB3 1 5 ILE H . . 3.550 3.251 2.822 3.409 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU QD 1 5 ILE H . . 5.580 4.168 4.000 4.268 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU QD 1 36 MET HA . . 4.950 3.436 3.154 3.635 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU QD 1 36 MET HG3 . . 5.930 3.922 3.413 4.345 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU MD1 1 5 ILE H . . 6.530 4.730 4.351 4.961 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU MD1 1 36 MET HA . . 5.260 3.953 3.309 4.208 . 0 0 "[ . 1 . 2]" 1
30 1 4 LEU MD1 1 36 MET HB3 . . 6.340 2.784 1.922 3.266 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU MD1 1 36 MET HG3 . . 6.530 4.722 3.488 5.138 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU MD1 1 40 LEU H . . 6.530 4.856 3.892 5.298 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU MD2 1 5 ILE H . . 6.530 4.650 4.403 4.854 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU MD2 1 36 MET HA . . 5.260 3.849 3.309 4.226 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU MD2 1 36 MET HB3 . . 6.340 2.240 1.930 2.805 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU MD2 1 36 MET HG3 . . 6.530 4.319 3.480 5.186 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU MD2 1 40 LEU H . . 6.530 4.685 4.042 5.334 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU HG 1 5 ILE H . . 5.310 5.124 4.702 5.355 0.045 9 0 "[ . 1 . 2]" 1
39 1 5 ILE H 1 5 ILE HB . . 2.620 2.612 2.446 2.674 0.054 14 0 "[ . 1 . 2]" 1
40 1 5 ILE H 1 5 ILE MD . . 4.050 2.320 1.878 3.305 . 0 0 "[ . 1 . 2]" 1
41 1 5 ILE H 1 5 ILE HG13 . . 3.330 3.104 1.944 3.466 0.136 20 0 "[ . 1 . 2]" 1
42 1 5 ILE H 1 6 GLN H . . 2.930 2.706 2.489 2.859 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE H 1 7 VAL H . . 4.720 4.461 4.270 4.630 . 0 0 "[ . 1 . 2]" 1
44 1 5 ILE HA 1 5 ILE HB . . 2.960 3.015 3.012 3.020 0.060 3 0 "[ . 1 . 2]" 1
45 1 5 ILE HA 1 5 ILE MD . . 4.330 2.454 1.950 3.863 . 0 0 "[ . 1 . 2]" 1
46 1 5 ILE HA 1 5 ILE HG13 . . 3.950 3.428 2.509 3.759 . 0 0 "[ . 1 . 2]" 1
47 1 5 ILE HA 1 7 VAL H . . 5.500 4.642 4.412 4.844 . 0 0 "[ . 1 . 2]" 1
48 1 5 ILE HA 1 8 ARG H . . 3.760 3.380 3.262 3.513 . 0 0 "[ . 1 . 2]" 1
49 1 5 ILE HA 1 8 ARG HB3 . . 3.580 3.592 3.457 3.681 0.101 19 0 "[ . 1 . 2]" 1
50 1 5 ILE HA 1 9 ASP H . . 4.040 3.547 3.301 3.826 . 0 0 "[ . 1 . 2]" 1
51 1 5 ILE HB 1 6 GLN H . . 3.270 2.840 2.694 3.079 . 0 0 "[ . 1 . 2]" 1
52 1 5 ILE MD 1 6 GLN H . . 5.350 4.134 3.271 4.444 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE HG13 1 6 GLN H . . 5.500 4.946 4.289 5.264 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE MG 1 6 GLN H . . 5.320 3.850 3.560 4.038 . 0 0 "[ . 1 . 2]" 1
55 1 5 ILE MG 1 6 GLN HA . . 6.530 3.931 3.666 4.110 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE MG 1 6 GLN HG3 . . 6.310 5.123 4.681 5.198 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE MG 1 9 ASP H . . 5.160 3.686 3.270 4.012 . 0 0 "[ . 1 . 2]" 1
58 1 6 GLN H 1 6 GLN HB3 . . 3.760 3.400 3.299 3.461 . 0 0 "[ . 1 . 2]" 1
59 1 6 GLN H 1 6 GLN HG3 . . 4.760 3.153 2.902 3.357 . 0 0 "[ . 1 . 2]" 1
60 1 6 GLN H 1 7 VAL H . . 3.080 2.787 2.601 2.842 . 0 0 "[ . 1 . 2]" 1
61 1 6 GLN H 1 8 ARG HG3 . . 5.500 5.503 5.347 5.538 0.038 6 0 "[ . 1 . 2]" 1
62 1 6 GLN H 1 9 ASP H . . 5.100 4.494 4.392 4.654 . 0 0 "[ . 1 . 2]" 1
63 1 6 GLN H 1 26 LEU MD2 . . 6.250 4.976 4.518 5.088 . 0 0 "[ . 1 . 2]" 1
64 1 6 GLN HA 1 6 GLN HG3 . . 3.550 3.072 2.833 3.226 . 0 0 "[ . 1 . 2]" 1
65 1 6 GLN HA 1 8 ARG H . . 5.500 4.586 4.273 4.802 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLN HA 1 9 ASP H . . 3.830 3.609 3.372 3.750 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLN HA 1 9 ASP HB3 . . 3.550 3.163 2.940 3.447 . 0 0 "[ . 1 . 2]" 1
68 1 6 GLN HA 1 10 LEU H . . 5.000 3.926 3.694 4.200 . 0 0 "[ . 1 . 2]" 1
69 1 6 GLN HB3 1 6 GLN HE22 . . 5.500 3.321 3.166 3.635 . 0 0 "[ . 1 . 2]" 1
70 1 6 GLN HB3 1 7 VAL H . . 4.480 3.013 2.801 3.162 . 0 0 "[ . 1 . 2]" 1
71 1 6 GLN HB3 1 26 LEU MD1 . . 6.530 3.000 1.841 3.645 . 0 0 "[ . 1 . 2]" 1
72 1 6 GLN HB3 1 26 LEU MD2 . . 6.530 2.057 1.757 2.387 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLN QE 1 26 LEU H . . 4.820 4.238 4.046 4.354 . 0 0 "[ . 1 . 2]" 1
74 1 6 GLN QE 1 26 LEU MD2 . . 5.120 2.048 1.694 2.392 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLN HE21 1 26 LEU MD2 . . 5.540 2.327 1.886 2.685 . 0 0 "[ . 1 . 2]" 1
76 1 6 GLN HE22 1 6 GLN HG3 . . 4.110 4.097 3.782 4.157 0.047 12 0 "[ . 1 . 2]" 1
77 1 6 GLN HE22 1 26 LEU MD2 . . 5.540 2.302 1.919 2.727 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLN HG3 1 7 VAL H . . 5.070 4.894 4.767 5.031 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLN HG3 1 26 LEU MD1 . . 6.530 4.658 3.921 5.326 . 0 0 "[ . 1 . 2]" 1
80 1 6 GLN HG3 1 26 LEU MD2 . . 5.690 4.327 3.719 4.482 . 0 0 "[ . 1 . 2]" 1
81 1 7 VAL H 1 7 VAL HB . . 3.610 2.412 2.195 2.577 . 0 0 "[ . 1 . 2]" 1
82 1 7 VAL H 1 7 VAL MG1 . . 4.360 2.867 1.809 3.713 . 0 0 "[ . 1 . 2]" 1
83 1 7 VAL H 1 7 VAL QG . . 3.720 2.108 1.805 2.532 . 0 0 "[ . 1 . 2]" 1
84 1 7 VAL H 1 7 VAL MG2 . . 4.360 2.947 1.990 3.704 . 0 0 "[ . 1 . 2]" 1
85 1 7 VAL H 1 8 ARG H . . 2.960 2.596 2.513 2.655 . 0 0 "[ . 1 . 2]" 1
86 1 7 VAL HA 1 10 LEU H . . 3.920 3.404 3.131 3.638 . 0 0 "[ . 1 . 2]" 1
87 1 7 VAL HA 1 10 LEU HB3 . . 4.600 3.705 3.402 3.997 . 0 0 "[ . 1 . 2]" 1
88 1 7 VAL HA 1 10 LEU MD2 . . 6.530 3.855 3.445 4.196 . 0 0 "[ . 1 . 2]" 1
89 1 7 VAL HA 1 11 LEU QD . . 8.100 4.311 3.998 4.531 . 0 0 "[ . 1 . 2]" 1
90 1 7 VAL HB 1 8 ARG H . . 4.070 3.260 2.531 4.097 0.027 6 0 "[ . 1 . 2]" 1
91 1 7 VAL QG 1 8 ARG H . . 4.040 2.643 1.957 3.251 . 0 0 "[ . 1 . 2]" 1
92 1 7 VAL QG 1 10 LEU HB3 . . 8.090 4.270 3.910 4.644 . 0 0 "[ . 1 . 2]" 1
93 1 7 VAL QG 1 33 ILE HA . . 7.220 3.909 3.547 4.495 . 0 0 "[ . 1 . 2]" 1
94 1 7 VAL QG 1 33 ILE MD . . 8.250 2.300 1.739 2.823 . 0 0 "[ . 1 . 2]" 1
95 1 7 VAL QG 1 37 LEU MD2 . . 6.580 2.780 2.388 3.226 . 0 0 "[ . 1 . 2]" 1
96 1 7 VAL MG1 1 8 ARG H . . 4.760 2.743 1.965 3.553 . 0 0 "[ . 1 . 2]" 1
97 1 7 VAL MG1 1 37 LEU MD1 . . 7.560 4.143 3.365 5.003 . 0 0 "[ . 1 . 2]" 1
98 1 7 VAL MG1 1 37 LEU MD2 . . 7.560 3.341 2.401 4.112 . 0 0 "[ . 1 . 2]" 1
99 1 7 VAL MG2 1 8 ARG H . . 4.760 3.828 3.627 4.049 . 0 0 "[ . 1 . 2]" 1
100 1 7 VAL MG2 1 37 LEU MD1 . . 7.560 3.974 2.951 4.920 . 0 0 "[ . 1 . 2]" 1
101 1 7 VAL MG2 1 37 LEU MD2 . . 7.560 3.783 2.528 4.996 . 0 0 "[ . 1 . 2]" 1
102 1 8 ARG H 1 8 ARG HB3 . . 3.550 3.513 3.455 3.537 . 0 0 "[ . 1 . 2]" 1
103 1 8 ARG H 1 8 ARG HG3 . . 3.550 2.657 2.352 2.934 . 0 0 "[ . 1 . 2]" 1
104 1 8 ARG H 1 9 ASP H . . 2.930 2.738 2.572 2.846 . 0 0 "[ . 1 . 2]" 1
105 1 8 ARG H 1 11 LEU H . . 4.940 4.546 4.436 4.638 . 0 0 "[ . 1 . 2]" 1
106 1 8 ARG H 1 40 LEU MD1 . . 6.530 4.873 4.503 5.244 . 0 0 "[ . 1 . 2]" 1
107 1 8 ARG HA 1 8 ARG HD3 . . 5.500 4.151 3.850 4.476 . 0 0 "[ . 1 . 2]" 1
108 1 8 ARG HA 1 8 ARG HG3 . . 3.270 3.189 2.972 3.281 0.011 20 0 "[ . 1 . 2]" 1
109 1 8 ARG HA 1 10 LEU H . . 4.760 4.691 4.554 4.771 0.011 8 0 "[ . 1 . 2]" 1
110 1 8 ARG HA 1 11 LEU H . . 5.500 3.594 3.397 3.778 . 0 0 "[ . 1 . 2]" 1
111 1 8 ARG HA 1 11 LEU HB3 . . 5.500 3.890 3.503 4.212 . 0 0 "[ . 1 . 2]" 1
112 1 8 ARG HA 1 11 LEU QD . . 6.080 3.102 2.516 3.397 . 0 0 "[ . 1 . 2]" 1
113 1 8 ARG HA 1 40 LEU MD1 . . 6.400 4.418 4.082 4.776 . 0 0 "[ . 1 . 2]" 1
114 1 8 ARG HA 1 77 LEU MD2 . . 5.940 2.350 2.086 2.666 . 0 0 "[ . 1 . 2]" 1
115 1 8 ARG HB3 1 8 ARG HD3 . . 3.860 2.727 2.064 3.387 . 0 0 "[ . 1 . 2]" 1
116 1 8 ARG HB3 1 9 ASP H . . 3.760 3.416 3.060 3.637 . 0 0 "[ . 1 . 2]" 1
117 1 8 ARG HG3 1 9 ASP H . . 4.820 4.629 4.509 4.786 . 0 0 "[ . 1 . 2]" 1
118 1 9 ASP H 1 9 ASP HB3 . . 2.710 2.686 2.605 2.732 0.022 7 0 "[ . 1 . 2]" 1
119 1 9 ASP H 1 10 LEU H . . 2.930 2.664 2.468 2.820 . 0 0 "[ . 1 . 2]" 1
120 1 9 ASP H 1 11 LEU H . . 5.070 4.120 3.966 4.277 . 0 0 "[ . 1 . 2]" 1
121 1 9 ASP H 1 12 ALA MB . . 6.530 4.511 4.318 4.732 . 0 0 "[ . 1 . 2]" 1
122 1 9 ASP HA 1 9 ASP HB3 . . 3.020 3.046 3.035 3.054 0.034 9 0 "[ . 1 . 2]" 1
123 1 9 ASP HA 1 10 LEU H . . 3.610 3.637 3.615 3.643 0.033 13 0 "[ . 1 . 2]" 1
124 1 9 ASP HA 1 12 ALA H . . 3.860 3.435 3.364 3.541 . 0 0 "[ . 1 . 2]" 1
125 1 9 ASP HA 1 12 ALA MB . . 3.770 2.559 2.320 2.766 . 0 0 "[ . 1 . 2]" 1
126 1 9 ASP HA 1 13 LEU H . . 3.950 3.762 3.639 3.960 0.010 12 0 "[ . 1 . 2]" 1
127 1 9 ASP HB3 1 10 LEU H . . 3.110 2.361 2.291 2.538 . 0 0 "[ . 1 . 2]" 1
128 1 10 LEU H 1 10 LEU HB3 . . 3.390 3.370 3.304 3.451 0.061 15 0 "[ . 1 . 2]" 1
129 1 10 LEU H 1 10 LEU MD1 . . 5.010 3.936 3.720 4.103 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU H 1 10 LEU MD2 . . 4.330 2.362 1.936 2.646 . 0 0 "[ . 1 . 2]" 1
131 1 10 LEU H 1 10 LEU HG . . 4.140 4.064 3.855 4.175 0.035 6 0 "[ . 1 . 2]" 1
132 1 10 LEU H 1 11 LEU H . . 2.800 2.758 2.687 2.811 0.011 11 0 "[ . 1 . 2]" 1
133 1 10 LEU H 1 22 ILE MG . . 6.530 4.655 4.127 5.152 . 0 0 "[ . 1 . 2]" 1
134 1 10 LEU HA 1 10 LEU MD1 . . 3.640 2.048 1.946 2.241 . 0 0 "[ . 1 . 2]" 1
135 1 10 LEU HA 1 10 LEU MD2 . . 3.550 2.444 2.045 2.649 . 0 0 "[ . 1 . 2]" 1
136 1 10 LEU HA 1 13 LEU H . . 4.040 3.279 3.174 3.342 . 0 0 "[ . 1 . 2]" 1
137 1 10 LEU HA 1 13 LEU HB3 . . 4.010 4.019 3.879 4.057 0.047 12 0 "[ . 1 . 2]" 1
138 1 10 LEU HB3 1 10 LEU HG . . 2.680 2.412 2.352 2.503 . 0 0 "[ . 1 . 2]" 1
139 1 10 LEU HB3 1 11 LEU H . . 3.730 3.107 2.946 3.366 . 0 0 "[ . 1 . 2]" 1
140 1 10 LEU HB3 1 25 THR HB . . 5.500 4.769 4.536 5.097 . 0 0 "[ . 1 . 2]" 1
141 1 10 LEU MD1 1 11 LEU H . . 6.530 4.567 4.420 4.773 . 0 0 "[ . 1 . 2]" 1
142 1 10 LEU MD2 1 11 LEU H . . 6.190 4.366 4.154 4.478 . 0 0 "[ . 1 . 2]" 1
143 1 10 LEU MD2 1 22 ILE HA . . 6.120 5.043 4.771 5.140 . 0 0 "[ . 1 . 2]" 1
144 1 10 LEU MD2 1 25 THR HB . . 5.290 3.986 3.601 4.339 . 0 0 "[ . 1 . 2]" 1
145 1 10 LEU MD2 1 25 THR MG . . 7.000 2.204 1.848 2.597 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU HG 1 11 LEU H . . 5.500 5.112 5.073 5.206 . 0 0 "[ . 1 . 2]" 1
147 1 11 LEU H 1 11 LEU HB3 . . 3.640 3.422 3.365 3.467 . 0 0 "[ . 1 . 2]" 1
148 1 11 LEU H 1 11 LEU HG . . 3.550 2.891 2.712 3.083 . 0 0 "[ . 1 . 2]" 1
149 1 11 LEU H 1 12 ALA H . . 3.610 2.702 2.654 2.760 . 0 0 "[ . 1 . 2]" 1
150 1 11 LEU HA 1 11 LEU MD1 . . 4.420 3.777 3.747 3.809 . 0 0 "[ . 1 . 2]" 1
151 1 11 LEU HA 1 11 LEU QD . . 3.800 1.986 1.900 2.177 . 0 0 "[ . 1 . 2]" 1
152 1 11 LEU HA 1 11 LEU MD2 . . 4.420 1.993 1.905 2.190 . 0 0 "[ . 1 . 2]" 1
153 1 11 LEU HA 1 13 LEU H . . 5.500 5.127 4.973 5.162 . 0 0 "[ . 1 . 2]" 1
154 1 11 LEU HA 1 14 ARG H . . 4.350 4.305 4.241 4.362 0.012 19 0 "[ . 1 . 2]" 1
155 1 11 LEU HA 1 15 GLY H . . 4.410 3.892 3.687 4.237 . 0 0 "[ . 1 . 2]" 1
156 1 11 LEU HB3 1 12 ALA H . . 4.630 3.668 3.510 3.803 . 0 0 "[ . 1 . 2]" 1
157 1 11 LEU HB3 1 76 ALA H . . 5.500 5.397 5.157 5.512 0.012 12 0 "[ . 1 . 2]" 1
158 1 11 LEU HB3 1 77 LEU MD1 . . 5.630 2.925 1.864 3.307 . 0 0 "[ . 1 . 2]" 1
159 1 11 LEU HB3 1 77 LEU HG . . 5.500 2.146 1.998 2.520 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU QD 1 16 ARG HA . . 7.760 2.873 2.576 3.122 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU QD 1 17 MET H . . 5.560 2.579 2.439 2.756 . 0 0 "[ . 1 . 2]" 1
162 1 11 LEU QD 1 37 LEU MD2 . . 6.660 2.031 1.785 2.210 . 0 0 "[ . 1 . 2]" 1
163 1 11 LEU QD 1 76 ALA H . . 5.610 3.277 2.869 3.538 . 0 0 "[ . 1 . 2]" 1
164 1 11 LEU QD 1 76 ALA HA . . 5.890 2.087 1.875 2.437 . 0 0 "[ . 1 . 2]" 1
165 1 11 LEU QD 1 77 LEU H . . 8.070 3.666 3.438 3.873 . 0 0 "[ . 1 . 2]" 1
166 1 11 LEU MD1 1 12 ALA H . . 6.530 5.028 4.911 5.118 . 0 0 "[ . 1 . 2]" 1
167 1 11 LEU MD1 1 17 MET HG3 . . 9.110 7.275 6.790 7.598 . 0 0 "[ . 1 . 2]" 1
168 1 11 LEU MD1 1 37 LEU MD2 . . 7.560 2.049 1.794 2.238 . 0 0 "[ . 1 . 2]" 1
169 1 11 LEU MD1 1 75 TRP HB3 . . 5.780 2.810 2.508 3.353 . 0 0 "[ . 1 . 2]" 1
170 1 11 LEU MD1 1 76 ALA H . . 6.310 3.731 3.049 4.156 . 0 0 "[ . 1 . 2]" 1
171 1 11 LEU MD1 1 76 ALA HA . . 6.280 3.184 2.677 3.632 . 0 0 "[ . 1 . 2]" 1
172 1 11 LEU MD2 1 12 ALA H . . 6.530 4.739 4.670 4.852 . 0 0 "[ . 1 . 2]" 1
173 1 11 LEU MD2 1 17 MET HG3 . . 9.110 4.839 4.539 5.093 . 0 0 "[ . 1 . 2]" 1
174 1 11 LEU MD2 1 37 LEU MD2 . . 7.560 3.340 3.095 3.585 . 0 0 "[ . 1 . 2]" 1
175 1 11 LEU MD2 1 75 TRP HB3 . . 5.780 3.190 2.784 3.821 . 0 0 "[ . 1 . 2]" 1
176 1 11 LEU MD2 1 76 ALA H . . 6.310 3.723 3.105 4.272 . 0 0 "[ . 1 . 2]" 1
177 1 11 LEU MD2 1 76 ALA HA . . 6.280 2.136 1.883 2.599 . 0 0 "[ . 1 . 2]" 1
178 1 11 LEU HG 1 12 ALA H . . 5.160 5.013 4.949 5.113 . 0 0 "[ . 1 . 2]" 1
179 1 12 ALA H 1 12 ALA MB . . 3.430 2.067 2.017 2.174 . 0 0 "[ . 1 . 2]" 1
180 1 12 ALA H 1 13 LEU H . . 3.080 2.493 2.400 2.516 . 0 0 "[ . 1 . 2]" 1
181 1 12 ALA H 1 77 LEU MD2 . . 5.130 3.994 3.734 4.163 . 0 0 "[ . 1 . 2]" 1
182 1 12 ALA MB 1 13 LEU H . . 3.580 2.401 2.228 2.499 . 0 0 "[ . 1 . 2]" 1
183 1 12 ALA MB 1 14 ARG H . . 6.530 4.662 4.618 4.743 . 0 0 "[ . 1 . 2]" 1
184 1 12 ALA MB 1 15 GLY H . . 6.530 4.234 4.182 4.276 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU H 1 13 LEU HA . . 2.870 2.765 2.742 2.781 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU H 1 13 LEU HB3 . . 3.580 3.493 3.459 3.535 . 0 0 "[ . 1 . 2]" 1
187 1 13 LEU H 1 13 LEU MD1 . . 4.420 3.175 1.913 3.794 . 0 0 "[ . 1 . 2]" 1
188 1 13 LEU H 1 13 LEU QD . . 3.950 2.341 1.907 3.080 . 0 0 "[ . 1 . 2]" 1
189 1 13 LEU H 1 13 LEU MD2 . . 4.420 2.880 1.935 3.687 . 0 0 "[ . 1 . 2]" 1
190 1 13 LEU H 1 13 LEU HG . . 3.890 3.245 2.134 3.944 0.054 6 0 "[ . 1 . 2]" 1
191 1 13 LEU H 1 14 ARG H . . 3.020 2.925 2.884 2.985 . 0 0 "[ . 1 . 2]" 1
192 1 13 LEU HA 1 13 LEU HB3 . . 2.960 2.573 2.453 2.647 . 0 0 "[ . 1 . 2]" 1
193 1 13 LEU HA 1 13 LEU MD1 . . 4.610 2.795 1.956 3.801 . 0 0 "[ . 1 . 2]" 1
194 1 13 LEU HA 1 13 LEU QD . . 3.910 2.058 1.915 2.319 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU HA 1 13 LEU MD2 . . 4.610 2.759 1.923 3.817 . 0 0 "[ . 1 . 2]" 1
196 1 13 LEU HA 1 14 ARG H . . 3.610 3.639 3.637 3.640 0.030 19 0 "[ . 1 . 2]" 1
197 1 13 LEU HB3 1 14 ARG H . . 3.610 3.179 3.030 3.430 . 0 0 "[ . 1 . 2]" 1
198 1 13 LEU HB3 1 14 ARG HD3 . . 5.500 2.858 2.410 3.112 . 0 0 "[ . 1 . 2]" 1
199 1 13 LEU QD 1 14 ARG H . . 5.130 3.882 3.771 3.993 . 0 0 "[ . 1 . 2]" 1
200 1 13 LEU MD1 1 14 ARG H . . 5.470 4.374 4.137 4.595 . 0 0 "[ . 1 . 2]" 1
201 1 13 LEU MD1 1 14 ARG HD3 . . 6.530 4.336 3.550 5.192 . 0 0 "[ . 1 . 2]" 1
202 1 13 LEU MD2 1 14 ARG H . . 5.470 4.373 4.053 4.600 . 0 0 "[ . 1 . 2]" 1
203 1 13 LEU MD2 1 14 ARG HD3 . . 6.530 4.508 3.741 5.117 . 0 0 "[ . 1 . 2]" 1
204 1 13 LEU HG 1 14 ARG H . . 4.940 4.687 4.209 5.006 0.066 18 0 "[ . 1 . 2]" 1
205 1 13 LEU HG 1 14 ARG HD3 . . 5.380 4.814 4.211 5.136 . 0 0 "[ . 1 . 2]" 1
206 1 14 ARG H 1 14 ARG HD3 . . 5.500 2.288 1.944 3.212 . 0 0 "[ . 1 . 2]" 1
207 1 14 ARG H 1 14 ARG HG3 . . 5.340 3.850 3.417 4.037 . 0 0 "[ . 1 . 2]" 1
208 1 14 ARG H 1 15 GLY H . . 3.080 2.544 2.495 2.629 . 0 0 "[ . 1 . 2]" 1
209 1 14 ARG HA 1 14 ARG HD3 . . 5.500 3.295 3.063 3.673 . 0 0 "[ . 1 . 2]" 1
210 1 14 ARG HA 1 14 ARG HG3 . . 3.950 2.982 2.660 3.875 . 0 0 "[ . 1 . 2]" 1
211 1 14 ARG HA 1 15 GLY H . . 3.450 3.370 3.231 3.443 . 0 0 "[ . 1 . 2]" 1
212 1 14 ARG HB3 1 15 GLY H . . 5.500 4.204 3.968 4.598 . 0 0 "[ . 1 . 2]" 1
213 1 14 ARG HD3 1 15 GLY H . . 5.500 4.715 4.397 5.544 0.044 1 0 "[ . 1 . 2]" 1
214 1 14 ARG HG3 1 15 GLY H . . 5.500 5.491 5.444 5.565 0.065 15 0 "[ . 1 . 2]" 1
215 1 15 GLY H 1 16 ARG H . . 4.660 4.655 4.643 4.665 0.005 8 0 "[ . 1 . 2]" 1
216 1 15 GLY QA 1 16 ARG H . . 2.820 2.230 2.198 2.271 . 0 0 "[ . 1 . 2]" 1
217 1 15 GLY HA2 1 16 ARG H . . 3.080 3.024 2.909 3.118 0.038 10 0 "[ . 1 . 2]" 1
218 1 15 GLY HA3 1 16 ARG H . . 3.080 2.298 2.246 2.371 . 0 0 "[ . 1 . 2]" 1
219 1 16 ARG H 1 16 ARG HB3 . . 3.490 2.658 2.293 3.551 0.061 5 0 "[ . 1 . 2]" 1
220 1 16 ARG H 1 16 ARG HD3 . . 5.500 4.061 2.137 4.748 . 0 0 "[ . 1 . 2]" 1
221 1 16 ARG H 1 16 ARG HG3 . . 3.950 2.560 2.141 3.804 . 0 0 "[ . 1 . 2]" 1
222 1 16 ARG H 1 17 MET H . . 5.130 4.560 4.509 4.643 . 0 0 "[ . 1 . 2]" 1
223 1 16 ARG HA 1 16 ARG HD3 . . 5.500 4.410 3.884 4.706 . 0 0 "[ . 1 . 2]" 1
224 1 16 ARG HA 1 17 MET H . . 2.430 2.246 2.225 2.305 . 0 0 "[ . 1 . 2]" 1
225 1 16 ARG HA 1 17 MET HA . . 4.660 4.410 4.382 4.473 . 0 0 "[ . 1 . 2]" 1
226 1 16 ARG HA 1 76 ALA HA . . 2.960 2.713 2.529 2.893 . 0 0 "[ . 1 . 2]" 1
227 1 16 ARG HA 1 76 ALA MB . . 4.980 2.122 1.963 2.391 . 0 0 "[ . 1 . 2]" 1
228 1 16 ARG HB3 1 17 MET H . . 4.660 4.216 3.375 4.311 . 0 0 "[ . 1 . 2]" 1
229 1 16 ARG HB3 1 76 ALA MB . . 5.910 2.061 1.779 2.731 . 0 0 "[ . 1 . 2]" 1
230 1 16 ARG HD3 1 17 MET H . . 5.500 5.315 4.828 5.517 0.017 7 0 "[ . 1 . 2]" 1
231 1 16 ARG HD3 1 49 ILE MD . . 6.530 3.871 1.973 5.257 . 0 0 "[ . 1 . 2]" 1
232 1 16 ARG HG3 1 17 MET H . . 5.500 4.718 4.549 5.440 . 0 0 "[ . 1 . 2]" 1
233 1 17 MET H 1 17 MET HG3 . . 5.500 4.587 4.353 4.864 . 0 0 "[ . 1 . 2]" 1
234 1 17 MET H 1 18 GLU H . . 4.320 4.349 4.230 4.401 0.081 15 0 "[ . 1 . 2]" 1
235 1 17 MET H 1 74 TRP HA . . 5.500 5.066 4.880 5.233 . 0 0 "[ . 1 . 2]" 1
236 1 17 MET H 1 74 TRP HE3 . . 5.500 5.205 4.962 5.397 . 0 0 "[ . 1 . 2]" 1
237 1 17 MET H 1 75 TRP H . . 3.580 3.020 2.841 3.149 . 0 0 "[ . 1 . 2]" 1
238 1 17 MET H 1 75 TRP HB3 . . 5.220 5.210 5.151 5.235 0.015 17 0 "[ . 1 . 2]" 1
239 1 17 MET H 1 76 ALA HA . . 3.760 3.763 3.711 3.785 0.025 17 0 "[ . 1 . 2]" 1
240 1 17 MET HA 1 17 MET HG3 . . 4.010 3.327 2.300 3.759 . 0 0 "[ . 1 . 2]" 1
241 1 17 MET HA 1 18 GLU H . . 2.680 2.521 2.338 2.628 . 0 0 "[ . 1 . 2]" 1
242 1 17 MET HA 1 74 TRP HD1 . . 4.850 4.754 4.504 4.864 0.014 17 0 "[ . 1 . 2]" 1
243 1 17 MET HA 1 74 TRP HE3 . . 5.440 4.052 3.861 4.153 . 0 0 "[ . 1 . 2]" 1
244 1 17 MET HA 1 74 TRP HZ3 . . 5.070 5.067 4.924 5.100 0.030 17 0 "[ . 1 . 2]" 1
245 1 17 MET HB3 1 18 GLU H . . 4.200 2.857 2.195 3.994 . 0 0 "[ . 1 . 2]" 1
246 1 17 MET HB3 1 21 GLN HG3 . . 7.250 4.565 3.603 5.679 . 0 0 "[ . 1 . 2]" 1
247 1 17 MET HB3 1 22 ILE MD . . 5.810 3.624 2.097 4.547 . 0 0 "[ . 1 . 2]" 1
248 1 17 MET HG3 1 18 GLU H . . 5.500 3.549 1.938 4.835 . 0 0 "[ . 1 . 2]" 1
249 1 18 GLU H 1 18 GLU HB3 . . 3.490 2.686 2.353 3.124 . 0 0 "[ . 1 . 2]" 1
250 1 18 GLU H 1 18 GLU HG3 . . 5.500 4.059 1.933 4.503 . 0 0 "[ . 1 . 2]" 1
251 1 18 GLU H 1 21 GLN HB3 . . 5.280 4.739 4.329 5.200 . 0 0 "[ . 1 . 2]" 1
252 1 18 GLU H 1 21 GLN HG3 . . 5.500 3.962 3.511 4.265 . 0 0 "[ . 1 . 2]" 1
253 1 18 GLU H 1 74 TRP HD1 . . 5.500 3.765 3.366 4.314 . 0 0 "[ . 1 . 2]" 1
254 1 18 GLU HA 1 19 ALA H . . 3.270 2.431 2.285 2.513 . 0 0 "[ . 1 . 2]" 1
255 1 18 GLU HB3 1 19 ALA H . . 5.500 3.608 3.080 4.152 . 0 0 "[ . 1 . 2]" 1
256 1 18 GLU HB3 1 20 ALA H . . 5.100 3.535 2.654 4.560 . 0 0 "[ . 1 . 2]" 1
257 1 18 GLU HB3 1 21 GLN H . . 5.070 3.332 2.580 4.802 . 0 0 "[ . 1 . 2]" 1
258 1 18 GLU HG3 1 19 ALA H . . 5.500 3.062 1.944 4.467 . 0 0 "[ . 1 . 2]" 1
259 1 19 ALA H 1 19 ALA MB . . 3.430 2.060 1.941 2.163 . 0 0 "[ . 1 . 2]" 1
260 1 19 ALA H 1 20 ALA H . . 3.730 2.605 2.545 2.800 . 0 0 "[ . 1 . 2]" 1
261 1 19 ALA H 1 21 GLN H . . 4.170 4.165 4.078 4.212 0.042 6 0 "[ . 1 . 2]" 1
262 1 19 ALA H 1 75 TRP HD1 . . 4.260 2.955 2.389 3.410 . 0 0 "[ . 1 . 2]" 1
263 1 19 ALA HA 1 20 ALA HA . . 5.500 4.916 4.878 4.930 . 0 0 "[ . 1 . 2]" 1
264 1 19 ALA HA 1 21 GLN H . . 4.570 3.917 3.835 4.055 . 0 0 "[ . 1 . 2]" 1
265 1 19 ALA HA 1 22 ILE H . . 3.730 2.937 2.840 3.018 . 0 0 "[ . 1 . 2]" 1
266 1 19 ALA HA 1 22 ILE HB . . 3.050 2.324 2.123 2.571 . 0 0 "[ . 1 . 2]" 1
267 1 19 ALA HA 1 22 ILE MD . . 3.520 1.944 1.771 2.023 . 0 0 "[ . 1 . 2]" 1
268 1 19 ALA HA 1 22 ILE MG . . 6.530 3.814 3.592 4.004 . 0 0 "[ . 1 . 2]" 1
269 1 19 ALA HA 1 23 SER H . . 5.500 3.587 3.314 3.971 . 0 0 "[ . 1 . 2]" 1
270 1 19 ALA HA 1 33 ILE MG . . 4.330 3.012 2.541 3.447 . 0 0 "[ . 1 . 2]" 1
271 1 19 ALA HA 1 37 LEU MD1 . . 4.850 3.089 2.911 3.315 . 0 0 "[ . 1 . 2]" 1
272 1 19 ALA HA 1 75 TRP HD1 . . 5.500 4.464 3.773 4.980 . 0 0 "[ . 1 . 2]" 1
273 1 19 ALA MB 1 20 ALA H . . 3.430 2.666 2.461 2.782 . 0 0 "[ . 1 . 2]" 1
274 1 19 ALA MB 1 22 ILE MD . . 6.750 3.123 2.877 3.415 . 0 0 "[ . 1 . 2]" 1
275 1 19 ALA MB 1 22 ILE MG . . 7.560 4.232 4.025 4.415 . 0 0 "[ . 1 . 2]" 1
276 1 19 ALA MB 1 30 GLN HE21 . . 3.520 2.412 1.951 2.764 . 0 0 "[ . 1 . 2]" 1
277 1 19 ALA MB 1 30 GLN HE22 . . 3.520 2.135 1.911 2.422 . 0 0 "[ . 1 . 2]" 1
278 1 19 ALA MB 1 33 ILE MG . . 7.560 2.229 1.885 2.779 . 0 0 "[ . 1 . 2]" 1
279 1 19 ALA MB 1 37 LEU MD1 . . 4.980 1.950 1.751 2.222 . 0 0 "[ . 1 . 2]" 1
280 1 19 ALA MB 1 75 TRP HD1 . . 4.640 3.028 2.345 3.592 . 0 0 "[ . 1 . 2]" 1
281 1 20 ALA H 1 20 ALA MB . . 3.430 2.051 1.945 2.169 . 0 0 "[ . 1 . 2]" 1
282 1 20 ALA H 1 21 GLN H . . 2.900 2.874 2.808 2.897 . 0 0 "[ . 1 . 2]" 1
283 1 20 ALA H 1 22 ILE H . . 4.820 4.409 4.206 4.495 . 0 0 "[ . 1 . 2]" 1
284 1 20 ALA HA 1 23 SER H . . 3.950 3.766 3.547 3.961 0.011 10 0 "[ . 1 . 2]" 1
285 1 20 ALA MB 1 21 GLN H . . 3.430 2.712 2.626 2.807 . 0 0 "[ . 1 . 2]" 1
286 1 20 ALA MB 1 30 GLN HG3 . . 6.530 3.365 2.624 4.158 . 0 0 "[ . 1 . 2]" 1
287 1 21 GLN H 1 21 GLN HA . . 2.900 2.822 2.789 2.836 . 0 0 "[ . 1 . 2]" 1
288 1 21 GLN H 1 21 GLN HB3 . . 3.450 3.408 3.350 3.503 0.053 12 0 "[ . 1 . 2]" 1
289 1 21 GLN H 1 21 GLN HG3 . . 3.700 3.509 2.679 3.714 0.014 5 0 "[ . 1 . 2]" 1
290 1 21 GLN H 1 22 ILE H . . 2.620 2.584 2.497 2.640 0.020 17 0 "[ . 1 . 2]" 1
291 1 21 GLN H 1 22 ILE HA . . 5.500 5.139 5.071 5.190 . 0 0 "[ . 1 . 2]" 1
292 1 21 GLN H 1 23 SER H . . 4.760 4.045 3.801 4.264 . 0 0 "[ . 1 . 2]" 1
293 1 21 GLN HA 1 21 GLN HB3 . . 2.800 2.744 2.641 2.803 0.003 13 0 "[ . 1 . 2]" 1
294 1 21 GLN HA 1 21 GLN HG3 . . 3.800 3.384 2.877 3.520 . 0 0 "[ . 1 . 2]" 1
295 1 21 GLN HA 1 24 GLN H . . 3.490 3.363 3.276 3.450 . 0 0 "[ . 1 . 2]" 1
296 1 21 GLN HA 1 24 GLN HB3 . . 4.040 3.874 3.652 4.059 0.019 16 0 "[ . 1 . 2]" 1
297 1 21 GLN HA 1 24 GLN HG3 . . 5.500 4.017 3.555 4.781 . 0 0 "[ . 1 . 2]" 1
298 1 21 GLN HA 1 25 THR H . . 4.260 4.263 4.205 4.297 0.037 6 0 "[ . 1 . 2]" 1
299 1 21 GLN HB3 1 21 GLN HE22 . . 5.500 3.420 3.164 3.963 . 0 0 "[ . 1 . 2]" 1
300 1 21 GLN HB3 1 22 ILE H . . 3.360 3.135 3.003 3.364 0.004 17 0 "[ . 1 . 2]" 1
301 1 21 GLN QE 1 22 ILE H . . 5.440 4.585 4.493 4.679 . 0 0 "[ . 1 . 2]" 1
302 1 21 GLN HG3 1 22 ILE H . . 5.500 4.950 4.606 5.162 . 0 0 "[ . 1 . 2]" 1
303 1 22 ILE H 1 22 ILE HB . . 2.620 2.399 2.236 2.513 . 0 0 "[ . 1 . 2]" 1
304 1 22 ILE H 1 22 ILE MD . . 4.020 2.890 2.512 3.178 . 0 0 "[ . 1 . 2]" 1
305 1 22 ILE H 1 22 ILE HG13 . . 3.920 2.173 1.937 2.625 . 0 0 "[ . 1 . 2]" 1
306 1 22 ILE H 1 22 ILE MG . . 4.610 3.698 3.653 3.709 . 0 0 "[ . 1 . 2]" 1
307 1 22 ILE H 1 23 SER H . . 3.490 2.789 2.715 2.868 . 0 0 "[ . 1 . 2]" 1
308 1 22 ILE HA 1 25 THR H . . 3.830 3.329 3.197 3.426 . 0 0 "[ . 1 . 2]" 1
309 1 22 ILE HA 1 25 THR HB . . 3.210 2.862 2.574 3.236 0.026 10 0 "[ . 1 . 2]" 1
310 1 22 ILE HA 1 25 THR MG . . 6.530 3.978 3.846 4.177 . 0 0 "[ . 1 . 2]" 1
311 1 22 ILE HB 1 22 ILE MD . . 3.710 2.054 1.946 2.223 . 0 0 "[ . 1 . 2]" 1
312 1 22 ILE HB 1 23 SER H . . 3.240 2.615 2.427 2.814 . 0 0 "[ . 1 . 2]" 1
313 1 22 ILE HB 1 25 THR H . . 5.500 5.514 5.420 5.588 0.088 16 0 "[ . 1 . 2]" 1
314 1 22 ILE HB 1 33 ILE MG . . 3.830 2.746 2.363 3.043 . 0 0 "[ . 1 . 2]" 1
315 1 22 ILE HB 1 37 LEU MD1 . . 6.530 4.068 3.770 4.321 . 0 0 "[ . 1 . 2]" 1
316 1 22 ILE MD 1 23 SER H . . 5.320 4.157 4.011 4.315 . 0 0 "[ . 1 . 2]" 1
317 1 22 ILE MD 1 37 LEU MD1 . . 5.480 2.829 2.397 3.431 . 0 0 "[ . 1 . 2]" 1
318 1 22 ILE MD 1 37 LEU MD2 . . 5.600 3.162 2.653 3.571 . 0 0 "[ . 1 . 2]" 1
319 1 22 ILE MD 1 75 TRP H . . 5.910 4.196 3.711 4.508 . 0 0 "[ . 1 . 2]" 1
320 1 22 ILE MD 1 75 TRP HB3 . . 5.780 4.195 3.785 4.532 . 0 0 "[ . 1 . 2]" 1
321 1 22 ILE MD 1 75 TRP HD1 . . 6.530 4.281 3.625 4.596 . 0 0 "[ . 1 . 2]" 1
322 1 22 ILE HG13 1 23 SER H . . 5.500 4.432 4.279 4.672 . 0 0 "[ . 1 . 2]" 1
323 1 22 ILE MG 1 23 SER H . . 5.230 3.366 2.946 3.730 . 0 0 "[ . 1 . 2]" 1
324 1 22 ILE MG 1 25 THR HB . . 6.530 3.442 3.225 3.697 . 0 0 "[ . 1 . 2]" 1
325 1 22 ILE MG 1 25 THR MG . . 7.560 4.127 3.736 4.406 . 0 0 "[ . 1 . 2]" 1
326 1 22 ILE MG 1 26 LEU HG . . 6.530 3.558 1.990 4.052 . 0 0 "[ . 1 . 2]" 1
327 1 22 ILE MG 1 33 ILE MD . . 4.950 2.700 2.125 3.214 . 0 0 "[ . 1 . 2]" 1
328 1 22 ILE MG 1 37 LEU MD2 . . 7.560 4.408 3.786 5.012 . 0 0 "[ . 1 . 2]" 1
329 1 23 SER H 1 23 SER HB3 . . 2.870 2.337 2.201 2.512 . 0 0 "[ . 1 . 2]" 1
330 1 23 SER H 1 24 GLN H . . 2.770 2.775 2.696 2.848 0.078 6 0 "[ . 1 . 2]" 1
331 1 23 SER H 1 33 ILE MD . . 6.530 4.604 4.253 4.952 . 0 0 "[ . 1 . 2]" 1
332 1 23 SER H 1 33 ILE HG13 . . 5.500 3.205 2.820 3.474 . 0 0 "[ . 1 . 2]" 1
333 1 23 SER H 1 33 ILE MG . . 6.370 3.856 3.496 4.127 . 0 0 "[ . 1 . 2]" 1
334 1 23 SER HA 1 23 SER HB3 . . 2.680 2.531 2.443 2.618 . 0 0 "[ . 1 . 2]" 1
335 1 23 SER HA 1 28 THR H . . 4.820 3.312 3.048 3.563 . 0 0 "[ . 1 . 2]" 1
336 1 23 SER HA 1 33 ILE HB . . 5.500 4.325 3.976 4.534 . 0 0 "[ . 1 . 2]" 1
337 1 23 SER HA 1 33 ILE MD . . 4.510 3.273 2.744 3.739 . 0 0 "[ . 1 . 2]" 1
338 1 23 SER HA 1 33 ILE HG13 . . 3.640 2.306 2.004 2.643 . 0 0 "[ . 1 . 2]" 1
339 1 23 SER HA 1 33 ILE MG . . 6.530 4.205 3.924 4.417 . 0 0 "[ . 1 . 2]" 1
340 1 23 SER HB3 1 24 GLN H . . 4.510 3.829 3.616 3.987 . 0 0 "[ . 1 . 2]" 1
341 1 23 SER HB3 1 33 ILE HB . . 5.500 3.112 2.628 3.459 . 0 0 "[ . 1 . 2]" 1
342 1 23 SER HB3 1 33 ILE MD . . 6.530 4.269 3.759 4.590 . 0 0 "[ . 1 . 2]" 1
343 1 23 SER HB3 1 33 ILE HG13 . . 4.260 2.754 2.067 3.260 . 0 0 "[ . 1 . 2]" 1
344 1 23 SER HB3 1 33 ILE MG . . 6.120 3.988 3.480 4.276 . 0 0 "[ . 1 . 2]" 1
345 1 24 GLN H 1 24 GLN HB3 . . 3.490 3.350 3.324 3.389 . 0 0 "[ . 1 . 2]" 1
346 1 24 GLN H 1 24 GLN HG3 . . 4.290 3.413 3.167 3.674 . 0 0 "[ . 1 . 2]" 1
347 1 24 GLN H 1 25 THR H . . 3.080 2.741 2.671 2.816 . 0 0 "[ . 1 . 2]" 1
348 1 24 GLN H 1 26 LEU H . . 5.410 4.271 4.086 4.400 . 0 0 "[ . 1 . 2]" 1
349 1 24 GLN H 1 27 ASN H . . 5.380 4.884 4.560 5.239 . 0 0 "[ . 1 . 2]" 1
350 1 24 GLN H 1 28 THR H . . 5.000 4.688 4.411 4.814 . 0 0 "[ . 1 . 2]" 1
351 1 24 GLN HA 1 24 GLN HG3 . . 3.390 2.993 2.133 3.385 . 0 0 "[ . 1 . 2]" 1
352 1 24 GLN HA 1 27 ASN H . . 4.450 3.188 3.021 3.467 . 0 0 "[ . 1 . 2]" 1
353 1 24 GLN HB3 1 25 THR H . . 3.050 3.087 2.983 3.132 0.082 11 0 "[ . 1 . 2]" 1
354 1 24 GLN HB3 1 26 LEU H . . 5.280 5.213 4.996 5.387 0.107 20 0 "[ . 1 . 2]" 1
355 1 24 GLN HG3 1 25 THR H . . 5.500 5.062 4.890 5.144 . 0 0 "[ . 1 . 2]" 1
356 1 25 THR H 1 25 THR HA . . 2.800 2.737 2.716 2.812 0.012 20 0 "[ . 1 . 2]" 1
357 1 25 THR H 1 25 THR HB . . 2.800 2.456 2.139 2.603 . 0 0 "[ . 1 . 2]" 1
358 1 25 THR H 1 25 THR MG . . 4.510 3.659 3.624 3.679 . 0 0 "[ . 1 . 2]" 1
359 1 25 THR H 1 26 LEU H . . 3.080 2.892 2.722 2.969 . 0 0 "[ . 1 . 2]" 1
360 1 25 THR H 1 26 LEU HG . . 5.500 4.312 4.118 4.456 . 0 0 "[ . 1 . 2]" 1
361 1 25 THR H 1 27 ASN H . . 4.820 3.979 3.667 4.294 . 0 0 "[ . 1 . 2]" 1
362 1 25 THR H 1 28 THR H . . 5.070 5.038 4.782 5.184 0.114 20 0 "[ . 1 . 2]" 1
363 1 25 THR HA 1 26 LEU MD2 . . 6.530 4.039 3.857 4.859 . 0 0 "[ . 1 . 2]" 1
364 1 25 THR HA 1 27 ASN H . . 5.500 3.818 3.517 3.944 . 0 0 "[ . 1 . 2]" 1
365 1 25 THR HB 1 26 LEU H . . 3.140 2.709 2.522 2.994 . 0 0 "[ . 1 . 2]" 1
366 1 25 THR MG 1 26 LEU H . . 4.610 3.618 3.017 3.871 . 0 0 "[ . 1 . 2]" 1
367 1 25 THR MG 1 26 LEU MD2 . . 7.150 2.372 1.874 2.876 . 0 0 "[ . 1 . 2]" 1
368 1 26 LEU H 1 26 LEU HB3 . . 3.550 3.425 3.279 3.591 0.041 6 0 "[ . 1 . 2]" 1
369 1 26 LEU H 1 26 LEU MD1 . . 4.820 3.623 3.497 3.757 . 0 0 "[ . 1 . 2]" 1
370 1 26 LEU H 1 26 LEU MD2 . . 3.860 2.296 1.911 2.910 . 0 0 "[ . 1 . 2]" 1
371 1 26 LEU H 1 26 LEU HG . . 3.670 1.931 1.878 2.179 . 0 0 "[ . 1 . 2]" 1
372 1 26 LEU H 1 27 ASN H . . 2.960 2.609 2.462 2.771 . 0 0 "[ . 1 . 2]" 1
373 1 26 LEU H 1 33 ILE HG13 . . 5.500 5.468 5.048 5.538 0.038 12 0 "[ . 1 . 2]" 1
374 1 26 LEU HA 1 26 LEU MD2 . . 4.050 3.034 1.972 3.298 . 0 0 "[ . 1 . 2]" 1
375 1 26 LEU HA 1 26 LEU HG . . 3.950 3.639 3.275 3.696 . 0 0 "[ . 1 . 2]" 1
376 1 26 LEU HB3 1 27 ASN H . . 4.910 4.698 4.399 4.732 . 0 0 "[ . 1 . 2]" 1
377 1 26 LEU HB3 1 28 THR H . . 5.500 4.804 4.325 4.944 . 0 0 "[ . 1 . 2]" 1
378 1 26 LEU MD1 1 27 ASN H . . 6.530 5.192 5.054 5.438 . 0 0 "[ . 1 . 2]" 1
379 1 26 LEU MD2 1 27 ASN H . . 5.810 4.334 4.179 4.612 . 0 0 "[ . 1 . 2]" 1
380 1 26 LEU MD2 1 33 ILE MD . . 7.560 3.547 3.127 4.581 . 0 0 "[ . 1 . 2]" 1
381 1 26 LEU HG 1 27 ASN H . . 4.760 4.092 3.874 4.608 . 0 0 "[ . 1 . 2]" 1
382 1 27 ASN H 1 27 ASN HA . . 2.430 2.192 2.169 2.200 . 0 0 "[ . 1 . 2]" 1
383 1 27 ASN H 1 27 ASN HB3 . . 4.070 3.775 3.497 3.993 . 0 0 "[ . 1 . 2]" 1
384 1 27 ASN H 1 28 THR H . . 3.450 2.903 2.576 2.949 . 0 0 "[ . 1 . 2]" 1
385 1 27 ASN HA 1 28 THR H . . 2.990 2.958 2.735 2.995 0.005 8 0 "[ . 1 . 2]" 1
386 1 27 ASN HB3 1 28 THR H . . 5.410 4.183 4.119 4.358 . 0 0 "[ . 1 . 2]" 1
387 1 28 THR H 1 28 THR HB . . 2.990 2.167 2.058 2.578 . 0 0 "[ . 1 . 2]" 1
388 1 28 THR HA 1 28 THR HB . . 2.960 2.863 2.808 3.062 0.102 10 0 "[ . 1 . 2]" 1
389 1 28 THR HB 1 33 ILE MD . . 4.980 3.571 3.136 3.910 . 0 0 "[ . 1 . 2]" 1
390 1 28 THR HB 1 33 ILE HG13 . . 5.310 4.274 3.289 4.611 . 0 0 "[ . 1 . 2]" 1
391 1 28 THR MG 1 32 MET H . . 4.880 3.948 3.775 4.076 . 0 0 "[ . 1 . 2]" 1
392 1 28 THR MG 1 32 MET HB3 . . 4.820 2.019 1.795 2.181 . 0 0 "[ . 1 . 2]" 1
393 1 28 THR MG 1 32 MET HG3 . . 6.470 3.653 2.959 4.174 . 0 0 "[ . 1 . 2]" 1
394 1 28 THR MG 1 33 ILE H . . 4.700 3.130 2.936 3.272 . 0 0 "[ . 1 . 2]" 1
395 1 28 THR MG 1 33 ILE MD . . 6.320 2.144 1.874 2.870 . 0 0 "[ . 1 . 2]" 1
396 1 28 THR MG 1 33 ILE HG13 . . 6.530 2.645 2.341 3.010 . 0 0 "[ . 1 . 2]" 1
397 1 29 PRO HA 1 30 GLN H . . 2.520 2.186 2.174 2.203 . 0 0 "[ . 1 . 2]" 1
398 1 30 GLN H 1 30 GLN HB3 . . 3.550 3.177 3.138 3.217 . 0 0 "[ . 1 . 2]" 1
399 1 30 GLN H 1 30 GLN HG3 . . 5.310 4.185 4.074 4.251 . 0 0 "[ . 1 . 2]" 1
400 1 30 GLN H 1 31 PRO HD3 . . 4.350 2.740 2.627 2.832 . 0 0 "[ . 1 . 2]" 1
401 1 30 GLN HA 1 30 GLN HB3 . . 2.960 2.956 2.930 2.967 0.007 19 0 "[ . 1 . 2]" 1
402 1 30 GLN HA 1 30 GLN HG3 . . 3.520 3.497 3.463 3.523 0.003 14 0 "[ . 1 . 2]" 1
403 1 30 GLN HA 1 33 ILE H . . 4.040 3.967 3.886 4.025 . 0 0 "[ . 1 . 2]" 1
404 1 30 GLN HA 1 33 ILE HB . . 4.510 4.298 4.090 4.422 . 0 0 "[ . 1 . 2]" 1
405 1 30 GLN HA 1 34 ASN H . . 5.500 4.820 4.696 4.940 . 0 0 "[ . 1 . 2]" 1
406 1 30 GLN QE 1 33 ILE MG . . 6.130 4.409 4.230 4.516 . 0 0 "[ . 1 . 2]" 1
407 1 30 GLN HE21 1 33 ILE MG . . 6.370 4.914 4.724 5.066 . 0 0 "[ . 1 . 2]" 1
408 1 30 GLN HE22 1 33 ILE MG . . 6.370 4.990 4.689 5.156 . 0 0 "[ . 1 . 2]" 1
409 1 30 GLN HG3 1 34 ASN HD21 . . 5.500 5.468 5.362 5.534 0.034 20 0 "[ . 1 . 2]" 1
410 1 30 GLN HG3 1 34 ASN HD22 . . 4.910 4.517 4.406 4.712 . 0 0 "[ . 1 . 2]" 1
411 1 31 PRO HA 1 33 ILE H . . 5.190 4.466 4.398 4.543 . 0 0 "[ . 1 . 2]" 1
412 1 31 PRO HA 1 34 ASN H . . 4.110 3.922 3.819 4.003 . 0 0 "[ . 1 . 2]" 1
413 1 31 PRO HA 1 34 ASN HB3 . . 4.760 4.749 4.608 4.783 0.023 13 0 "[ . 1 . 2]" 1
414 1 31 PRO HA 1 34 ASN HD21 . . 3.950 2.540 2.325 2.783 . 0 0 "[ . 1 . 2]" 1
415 1 31 PRO HA 1 34 ASN HD22 . . 5.500 4.046 3.841 4.319 . 0 0 "[ . 1 . 2]" 1
416 1 31 PRO HD3 1 32 MET H . . 5.220 4.713 4.694 4.730 . 0 0 "[ . 1 . 2]" 1
417 1 31 PRO HG3 1 32 MET H . . 5.500 5.606 5.594 5.616 0.116 16 0 "[ . 1 . 2]" 1
418 1 32 MET H 1 32 MET HB3 . . 3.550 3.050 2.919 3.172 . 0 0 "[ . 1 . 2]" 1
419 1 32 MET H 1 32 MET HG3 . . 5.000 4.787 4.528 5.015 0.015 3 0 "[ . 1 . 2]" 1
420 1 32 MET H 1 33 ILE H . . 2.930 1.928 1.885 1.985 . 0 0 "[ . 1 . 2]" 1
421 1 32 MET H 1 33 ILE HA . . 5.500 4.464 4.428 4.494 . 0 0 "[ . 1 . 2]" 1
422 1 32 MET HA 1 32 MET HB3 . . 3.050 3.033 2.998 3.059 0.009 7 0 "[ . 1 . 2]" 1
423 1 32 MET HA 1 32 MET HG3 . . 3.760 2.980 2.413 3.571 . 0 0 "[ . 1 . 2]" 1
424 1 32 MET HA 1 34 ASN H . . 5.500 4.458 4.291 4.565 . 0 0 "[ . 1 . 2]" 1
425 1 32 MET HA 1 35 ALA H . . 3.730 3.721 3.632 3.776 0.046 20 0 "[ . 1 . 2]" 1
426 1 32 MET HA 1 35 ALA MB . . 4.420 3.126 2.987 3.250 . 0 0 "[ . 1 . 2]" 1
427 1 32 MET HB3 1 33 ILE H . . 4.350 2.527 2.415 2.655 . 0 0 "[ . 1 . 2]" 1
428 1 32 MET HG3 1 33 ILE H . . 5.500 4.783 4.247 5.177 . 0 0 "[ . 1 . 2]" 1
429 1 33 ILE H 1 33 ILE HB . . 2.740 2.351 2.231 2.414 . 0 0 "[ . 1 . 2]" 1
430 1 33 ILE H 1 33 ILE MD . . 5.290 3.386 2.997 3.791 . 0 0 "[ . 1 . 2]" 1
431 1 33 ILE H 1 33 ILE HG13 . . 4.630 3.631 3.480 3.823 . 0 0 "[ . 1 . 2]" 1
432 1 33 ILE H 1 33 ILE MG . . 4.790 3.702 3.649 3.720 . 0 0 "[ . 1 . 2]" 1
433 1 33 ILE H 1 34 ASN H . . 3.330 2.430 2.375 2.483 . 0 0 "[ . 1 . 2]" 1
434 1 33 ILE H 1 34 ASN HD21 . . 5.500 4.401 3.740 4.853 . 0 0 "[ . 1 . 2]" 1
435 1 33 ILE HA 1 33 ILE HB . . 2.990 3.017 3.004 3.021 0.031 19 0 "[ . 1 . 2]" 1
436 1 33 ILE HA 1 33 ILE MD . . 3.430 2.000 1.904 2.200 . 0 0 "[ . 1 . 2]" 1
437 1 33 ILE HA 1 35 ALA H . . 5.500 4.076 3.765 4.279 . 0 0 "[ . 1 . 2]" 1
438 1 33 ILE HA 1 36 MET H . . 3.670 3.126 2.978 3.220 . 0 0 "[ . 1 . 2]" 1
439 1 33 ILE HA 1 37 LEU H . . 5.440 4.003 3.699 4.323 . 0 0 "[ . 1 . 2]" 1
440 1 33 ILE HB 1 34 ASN H . . 3.170 2.890 2.807 3.054 . 0 0 "[ . 1 . 2]" 1
441 1 33 ILE MD 1 34 ASN H . . 6.530 4.700 4.506 4.857 . 0 0 "[ . 1 . 2]" 1
442 1 33 ILE MD 1 37 LEU MD1 . . 7.560 4.406 4.126 4.726 . 0 0 "[ . 1 . 2]" 1
443 1 33 ILE HG13 1 33 ILE MG . . 3.430 2.385 2.202 2.537 . 0 0 "[ . 1 . 2]" 1
444 1 33 ILE HG13 1 34 ASN H . . 5.500 5.154 4.994 5.347 . 0 0 "[ . 1 . 2]" 1
445 1 33 ILE MG 1 34 ASN H . . 4.450 3.635 3.566 3.677 . 0 0 "[ . 1 . 2]" 1
446 1 33 ILE MG 1 34 ASN HA . . 6.530 3.640 3.494 3.750 . 0 0 "[ . 1 . 2]" 1
447 1 33 ILE MG 1 37 LEU H . . 5.070 3.288 2.959 3.545 . 0 0 "[ . 1 . 2]" 1
448 1 33 ILE MG 1 37 LEU MD1 . . 5.140 1.881 1.768 2.195 . 0 0 "[ . 1 . 2]" 1
449 1 33 ILE MG 1 37 LEU MD2 . . 7.310 3.299 2.930 3.738 . 0 0 "[ . 1 . 2]" 1
450 1 33 ILE MG 1 37 LEU HG . . 5.380 2.344 1.981 2.854 . 0 0 "[ . 1 . 2]" 1
451 1 34 ASN H 1 34 ASN HB3 . . 3.550 3.531 3.506 3.540 . 0 0 "[ . 1 . 2]" 1
452 1 34 ASN H 1 34 ASN HD21 . . 5.500 2.872 2.272 3.286 . 0 0 "[ . 1 . 2]" 1
453 1 34 ASN H 1 35 ALA H . . 2.990 2.743 2.683 2.783 . 0 0 "[ . 1 . 2]" 1
454 1 34 ASN H 1 36 MET H . . 5.250 4.279 4.139 4.369 . 0 0 "[ . 1 . 2]" 1
455 1 34 ASN H 1 37 LEU H . . 5.070 4.684 4.527 4.839 . 0 0 "[ . 1 . 2]" 1
456 1 34 ASN H 1 37 LEU MD1 . . 5.130 3.833 3.567 4.009 . 0 0 "[ . 1 . 2]" 1
457 1 34 ASN HA 1 37 LEU H . . 4.010 3.409 3.104 3.617 . 0 0 "[ . 1 . 2]" 1
458 1 34 ASN HA 1 37 LEU HB3 . . 5.410 4.096 3.850 4.254 . 0 0 "[ . 1 . 2]" 1
459 1 34 ASN HA 1 37 LEU MD1 . . 4.300 2.369 2.073 2.638 . 0 0 "[ . 1 . 2]" 1
460 1 34 ASN HB3 1 34 ASN HD21 . . 3.420 3.248 3.094 3.440 0.020 13 0 "[ . 1 . 2]" 1
461 1 34 ASN HB3 1 35 ALA H . . 3.580 3.535 3.446 3.595 0.015 13 0 "[ . 1 . 2]" 1
462 1 34 ASN HB3 1 35 ALA MB . . 6.530 4.615 4.531 4.696 . 0 0 "[ . 1 . 2]" 1
463 1 35 ALA H 1 35 ALA MB . . 3.430 2.067 1.936 2.170 . 0 0 "[ . 1 . 2]" 1
464 1 35 ALA H 1 36 MET H . . 2.800 2.713 2.605 2.774 . 0 0 "[ . 1 . 2]" 1
465 1 35 ALA H 1 37 LEU H . . 5.500 4.217 4.058 4.353 . 0 0 "[ . 1 . 2]" 1
466 1 35 ALA HA 1 38 GLN H . . 3.550 3.570 3.555 3.610 0.060 7 0 "[ . 1 . 2]" 1
467 1 35 ALA HA 1 38 GLN HB3 . . 4.010 3.584 3.487 3.732 . 0 0 "[ . 1 . 2]" 1
468 1 35 ALA MB 1 36 MET H . . 3.430 2.558 2.465 2.657 . 0 0 "[ . 1 . 2]" 1
469 1 35 ALA MB 1 36 MET HA . . 6.530 3.761 3.680 3.825 . 0 0 "[ . 1 . 2]" 1
470 1 36 MET H 1 36 MET HB3 . . 3.550 3.507 3.499 3.533 . 0 0 "[ . 1 . 2]" 1
471 1 36 MET H 1 36 MET HG3 . . 2.770 2.433 1.918 2.539 . 0 0 "[ . 1 . 2]" 1
472 1 36 MET H 1 37 LEU H . . 3.140 2.717 2.540 2.786 . 0 0 "[ . 1 . 2]" 1
473 1 36 MET HA 1 36 MET HB3 . . 3.020 2.447 2.432 2.477 . 0 0 "[ . 1 . 2]" 1
474 1 36 MET HA 1 36 MET HG3 . . 4.010 3.712 2.850 3.816 . 0 0 "[ . 1 . 2]" 1
475 1 36 MET HA 1 38 GLN H . . 5.500 4.226 4.044 4.448 . 0 0 "[ . 1 . 2]" 1
476 1 36 MET HA 1 39 GLN H . . 3.420 3.250 3.163 3.378 . 0 0 "[ . 1 . 2]" 1
477 1 36 MET HA 1 39 GLN HB3 . . 4.010 3.591 3.455 3.790 . 0 0 "[ . 1 . 2]" 1
478 1 36 MET HA 1 39 GLN HG3 . . 5.500 5.085 4.387 5.361 . 0 0 "[ . 1 . 2]" 1
479 1 36 MET HB3 1 36 MET HG3 . . 2.830 2.904 2.878 3.016 0.186 19 0 "[ . 1 . 2]" 1
480 1 36 MET HB3 1 37 LEU H . . 5.500 3.736 3.644 3.866 . 0 0 "[ . 1 . 2]" 1
481 1 36 MET HG3 1 37 LEU H . . 4.010 4.036 4.020 4.102 0.092 7 0 "[ . 1 . 2]" 1
482 1 37 LEU H 1 37 LEU HA . . 2.740 2.764 2.754 2.792 0.052 7 0 "[ . 1 . 2]" 1
483 1 37 LEU H 1 37 LEU HB3 . . 3.450 3.512 3.507 3.520 0.070 16 0 "[ . 1 . 2]" 1
484 1 37 LEU H 1 37 LEU MD1 . . 4.050 3.269 3.085 3.343 . 0 0 "[ . 1 . 2]" 1
485 1 37 LEU H 1 37 LEU MD2 . . 5.040 3.768 3.681 3.846 . 0 0 "[ . 1 . 2]" 1
486 1 37 LEU H 1 37 LEU HG . . 2.460 2.441 2.341 2.475 0.015 8 0 "[ . 1 . 2]" 1
487 1 37 LEU H 1 38 GLN H . . 3.210 2.737 2.635 2.788 . 0 0 "[ . 1 . 2]" 1
488 1 37 LEU H 1 39 GLN H . . 5.500 4.228 4.080 4.344 . 0 0 "[ . 1 . 2]" 1
489 1 37 LEU HA 1 37 LEU HB3 . . 2.900 2.557 2.530 2.573 . 0 0 "[ . 1 . 2]" 1
490 1 37 LEU HA 1 37 LEU MD1 . . 4.610 3.863 3.846 3.881 . 0 0 "[ . 1 . 2]" 1
491 1 37 LEU HA 1 37 LEU MD2 . . 3.800 2.331 2.131 2.481 . 0 0 "[ . 1 . 2]" 1
492 1 37 LEU HA 1 37 LEU HG . . 3.360 2.709 2.612 2.778 . 0 0 "[ . 1 . 2]" 1
493 1 37 LEU HA 1 40 LEU H . . 4.820 3.407 3.196 3.519 . 0 0 "[ . 1 . 2]" 1
494 1 37 LEU HA 1 40 LEU HA . . 5.500 5.444 5.267 5.511 0.011 10 0 "[ . 1 . 2]" 1
495 1 37 LEU HA 1 40 LEU HB3 . . 5.500 4.446 4.258 4.644 . 0 0 "[ . 1 . 2]" 1
496 1 37 LEU HA 1 40 LEU MD1 . . 4.540 2.435 1.952 2.887 . 0 0 "[ . 1 . 2]" 1
497 1 37 LEU HA 1 40 LEU MD2 . . 6.530 4.729 4.532 4.936 . 0 0 "[ . 1 . 2]" 1
498 1 37 LEU HA 1 41 GLU H . . 5.500 3.968 3.723 4.223 . 0 0 "[ . 1 . 2]" 1
499 1 37 LEU HB3 1 37 LEU MD1 . . 3.430 2.589 2.511 2.705 . 0 0 "[ . 1 . 2]" 1
500 1 37 LEU HB3 1 38 GLN H . . 5.500 3.671 3.547 3.815 . 0 0 "[ . 1 . 2]" 1
501 1 37 LEU MD1 1 38 GLN H . . 6.530 4.549 4.406 4.673 . 0 0 "[ . 1 . 2]" 1
502 1 37 LEU MD1 1 75 TRP H . . 6.530 4.878 4.660 5.156 . 0 0 "[ . 1 . 2]" 1
503 1 37 LEU MD1 1 75 TRP HD1 . . 5.750 2.748 2.465 3.215 . 0 0 "[ . 1 . 2]" 1
504 1 37 LEU MD1 1 75 TRP HE1 . . 5.040 3.310 2.988 3.752 . 0 0 "[ . 1 . 2]" 1
505 1 37 LEU MD1 1 75 TRP HZ2 . . 6.530 4.510 3.882 5.177 . 0 0 "[ . 1 . 2]" 1
506 1 37 LEU MD2 1 38 GLN H . . 6.530 4.894 4.833 4.939 . 0 0 "[ . 1 . 2]" 1
507 1 37 LEU MD2 1 40 LEU MD1 . . 6.100 2.692 2.269 3.037 . 0 0 "[ . 1 . 2]" 1
508 1 37 LEU MD2 1 75 TRP HB3 . . 6.530 2.101 1.894 2.310 . 0 0 "[ . 1 . 2]" 1
509 1 37 LEU MD2 1 75 TRP HE3 . . 6.530 2.887 2.379 3.426 . 0 0 "[ . 1 . 2]" 1
510 1 37 LEU HG 1 38 GLN H . . 5.500 4.657 4.559 4.697 . 0 0 "[ . 1 . 2]" 1
511 1 38 GLN H 1 38 GLN HB3 . . 3.170 3.080 3.036 3.153 . 0 0 "[ . 1 . 2]" 1
512 1 38 GLN H 1 38 GLN HG3 . . 4.260 3.879 3.642 4.032 . 0 0 "[ . 1 . 2]" 1
513 1 38 GLN H 1 39 GLN H . . 3.270 2.692 2.564 2.814 . 0 0 "[ . 1 . 2]" 1
514 1 38 GLN HA 1 38 GLN HB3 . . 3.020 2.954 2.938 2.972 . 0 0 "[ . 1 . 2]" 1
515 1 38 GLN HA 1 38 GLN HG3 . . 3.170 2.954 2.611 3.163 . 0 0 "[ . 1 . 2]" 1
516 1 38 GLN HA 1 41 GLU H . . 3.760 3.465 3.293 3.596 . 0 0 "[ . 1 . 2]" 1
517 1 38 GLN HA 1 41 GLU HB3 . . 3.210 2.664 2.473 2.811 . 0 0 "[ . 1 . 2]" 1
518 1 38 GLN HA 1 75 TRP HH2 . . 4.200 3.796 3.066 4.203 0.003 12 0 "[ . 1 . 2]" 1
519 1 38 GLN HB3 1 39 GLN H . . 3.800 2.870 2.710 3.135 . 0 0 "[ . 1 . 2]" 1
520 1 38 GLN HG3 1 39 GLN H . . 5.500 5.267 5.175 5.397 . 0 0 "[ . 1 . 2]" 1
521 1 39 GLN H 1 39 GLN HB3 . . 3.240 3.030 2.983 3.056 . 0 0 "[ . 1 . 2]" 1
522 1 39 GLN H 1 39 GLN HG3 . . 4.760 3.955 3.840 4.317 . 0 0 "[ . 1 . 2]" 1
523 1 39 GLN H 1 40 LEU H . . 2.830 2.726 2.521 2.825 . 0 0 "[ . 1 . 2]" 1
524 1 39 GLN H 1 41 GLU H . . 5.380 4.043 3.873 4.199 . 0 0 "[ . 1 . 2]" 1
525 1 39 GLN HA 1 39 GLN HB3 . . 2.990 2.970 2.954 2.973 . 0 0 "[ . 1 . 2]" 1
526 1 39 GLN HA 1 39 GLN HG3 . . 3.420 2.470 2.133 3.424 0.004 16 0 "[ . 1 . 2]" 1
527 1 39 GLN HA 1 41 GLU H . . 4.630 4.395 4.278 4.506 . 0 0 "[ . 1 . 2]" 1
528 1 39 GLN HA 1 42 SER H . . 3.450 3.451 3.404 3.464 0.014 4 0 "[ . 1 . 2]" 1
529 1 39 GLN HB3 1 40 LEU H . . 3.860 2.629 2.530 2.748 . 0 0 "[ . 1 . 2]" 1
530 1 39 GLN HG3 1 40 LEU H . . 5.500 5.022 4.930 5.225 . 0 0 "[ . 1 . 2]" 1
531 1 40 LEU H 1 40 LEU HB3 . . 4.040 3.535 3.527 3.537 . 0 0 "[ . 1 . 2]" 1
532 1 40 LEU H 1 40 LEU MD1 . . 4.200 3.357 3.079 3.503 . 0 0 "[ . 1 . 2]" 1
533 1 40 LEU H 1 40 LEU MD2 . . 4.200 3.347 3.171 3.534 . 0 0 "[ . 1 . 2]" 1
534 1 40 LEU H 1 40 LEU HG . . 2.430 2.056 1.949 2.248 . 0 0 "[ . 1 . 2]" 1
535 1 40 LEU H 1 41 GLU H . . 3.170 2.725 2.655 2.814 . 0 0 "[ . 1 . 2]" 1
536 1 40 LEU HA 1 40 LEU MD2 . . 3.800 2.187 2.002 2.605 . 0 0 "[ . 1 . 2]" 1
537 1 40 LEU HA 1 40 LEU HG . . 4.140 3.006 2.876 3.090 . 0 0 "[ . 1 . 2]" 1
538 1 40 LEU HA 1 43 MET H . . 5.190 3.470 3.351 3.619 . 0 0 "[ . 1 . 2]" 1
539 1 40 LEU HA 1 43 MET HB3 . . 4.320 4.191 4.068 4.318 . 0 0 "[ . 1 . 2]" 1
540 1 40 LEU HA 1 46 ALA H . . 5.410 4.184 3.772 4.471 . 0 0 "[ . 1 . 2]" 1
541 1 40 LEU HB3 1 41 GLU H . . 4.660 3.794 3.619 3.932 . 0 0 "[ . 1 . 2]" 1
542 1 40 LEU HB3 1 46 ALA H . . 4.940 2.461 2.185 2.910 . 0 0 "[ . 1 . 2]" 1
543 1 40 LEU HB3 1 46 ALA MB . . 5.130 2.663 2.009 2.988 . 0 0 "[ . 1 . 2]" 1
544 1 40 LEU MD1 1 41 GLU H . . 6.400 4.414 4.145 4.585 . 0 0 "[ . 1 . 2]" 1
545 1 40 LEU MD2 1 41 GLU H . . 6.530 4.799 4.732 4.937 . 0 0 "[ . 1 . 2]" 1
546 1 40 LEU MD2 1 45 LYS HB3 . . 6.530 3.382 3.092 3.884 . 0 0 "[ . 1 . 2]" 1
547 1 40 LEU MD2 1 45 LYS HD3 . . 6.530 4.853 4.553 5.218 . 0 0 "[ . 1 . 2]" 1
548 1 40 LEU HG 1 41 GLU H . . 5.500 4.318 4.245 4.466 . 0 0 "[ . 1 . 2]" 1
549 1 41 GLU H 1 41 GLU HB3 . . 3.270 2.485 2.452 2.526 . 0 0 "[ . 1 . 2]" 1
550 1 41 GLU H 1 41 GLU HG3 . . 5.500 4.504 4.479 4.530 . 0 0 "[ . 1 . 2]" 1
551 1 41 GLU H 1 42 SER H . . 3.390 2.820 2.737 2.897 . 0 0 "[ . 1 . 2]" 1
552 1 41 GLU H 1 43 MET H . . 5.500 4.238 4.147 4.370 . 0 0 "[ . 1 . 2]" 1
553 1 41 GLU H 1 46 ALA MB . . 6.250 4.174 3.203 4.640 . 0 0 "[ . 1 . 2]" 1
554 1 41 GLU H 1 75 TRP HZ3 . . 5.500 4.320 4.014 4.562 . 0 0 "[ . 1 . 2]" 1
555 1 41 GLU HA 1 41 GLU HG3 . . 3.080 3.112 3.109 3.115 0.035 13 0 "[ . 1 . 2]" 1
556 1 41 GLU HA 1 43 MET H . . 5.500 4.532 4.437 4.677 . 0 0 "[ . 1 . 2]" 1
557 1 41 GLU HA 1 44 GLY H . . 5.280 3.426 3.323 3.547 . 0 0 "[ . 1 . 2]" 1
558 1 41 GLU HB3 1 41 GLU HG3 . . 2.830 2.928 2.924 2.932 0.102 1 0 "[ . 1 . 2]" 1
559 1 41 GLU HB3 1 42 SER H . . 2.740 2.466 2.370 2.503 . 0 0 "[ . 1 . 2]" 1
560 1 41 GLU HB3 1 75 TRP HH2 . . 5.500 3.770 3.184 4.186 . 0 0 "[ . 1 . 2]" 1
561 1 41 GLU HB3 1 75 TRP HZ3 . . 5.500 3.944 3.578 4.454 . 0 0 "[ . 1 . 2]" 1
562 1 41 GLU HG3 1 42 SER H . . 5.030 4.895 4.846 4.915 . 0 0 "[ . 1 . 2]" 1
563 1 41 GLU HG3 1 75 TRP HH2 . . 5.500 3.155 2.182 4.101 . 0 0 "[ . 1 . 2]" 1
564 1 41 GLU HG3 1 75 TRP HZ3 . . 5.500 2.815 2.279 3.345 . 0 0 "[ . 1 . 2]" 1
565 1 42 SER H 1 42 SER HB3 . . 2.900 2.789 2.634 2.902 0.002 12 0 "[ . 1 . 2]" 1
566 1 42 SER H 1 43 MET H . . 2.900 2.837 2.801 2.881 . 0 0 "[ . 1 . 2]" 1
567 1 42 SER H 1 43 MET HG3 . . 5.500 4.995 4.936 5.082 . 0 0 "[ . 1 . 2]" 1
568 1 42 SER H 1 44 GLY H . . 5.070 4.285 4.141 4.455 . 0 0 "[ . 1 . 2]" 1
569 1 42 SER HA 1 44 GLY H . . 4.940 4.743 4.580 4.912 . 0 0 "[ . 1 . 2]" 1
570 1 42 SER HB3 1 43 MET H . . 3.760 2.509 2.381 2.584 . 0 0 "[ . 1 . 2]" 1
571 1 43 MET H 1 43 MET HB3 . . 3.760 3.493 3.488 3.499 . 0 0 "[ . 1 . 2]" 1
572 1 43 MET H 1 43 MET HG3 . . 2.650 2.653 2.645 2.657 0.007 19 0 "[ . 1 . 2]" 1
573 1 43 MET H 1 44 GLY H . . 2.960 2.709 2.613 2.828 . 0 0 "[ . 1 . 2]" 1
574 1 43 MET HA 1 43 MET HB3 . . 2.680 2.634 2.616 2.646 . 0 0 "[ . 1 . 2]" 1
575 1 43 MET HA 1 43 MET HG3 . . 3.520 3.372 3.352 3.394 . 0 0 "[ . 1 . 2]" 1
576 1 43 MET HA 1 44 GLY H . . 3.610 3.623 3.605 3.638 0.028 17 0 "[ . 1 . 2]" 1
577 1 43 MET HB3 1 44 GLY H . . 5.250 3.375 3.197 3.513 . 0 0 "[ . 1 . 2]" 1
578 1 43 MET HB3 1 45 LYS H . . 5.280 4.243 4.057 4.414 . 0 0 "[ . 1 . 2]" 1
579 1 43 MET HB3 1 45 LYS HG3 . . 5.500 3.531 3.229 3.825 . 0 0 "[ . 1 . 2]" 1
580 1 43 MET HG3 1 44 GLY H . . 5.500 4.528 4.475 4.586 . 0 0 "[ . 1 . 2]" 1
581 1 44 GLY H 1 44 GLY HA2 . . 2.900 2.394 2.344 2.466 . 0 0 "[ . 1 . 2]" 1
582 1 44 GLY H 1 44 GLY QA . . 2.650 2.296 2.256 2.350 . 0 0 "[ . 1 . 2]" 1
583 1 44 GLY H 1 44 GLY HA3 . . 2.900 2.952 2.938 2.960 0.060 17 0 "[ . 1 . 2]" 1
584 1 44 GLY H 1 45 LYS H . . 5.500 2.106 1.890 2.215 . 0 0 "[ . 1 . 2]" 1
585 1 44 GLY H 1 46 ALA H . . 4.720 4.105 3.499 4.433 . 0 0 "[ . 1 . 2]" 1
586 1 44 GLY HA2 1 45 LYS H . . 3.640 2.834 2.796 2.927 . 0 0 "[ . 1 . 2]" 1
587 1 44 GLY HA3 1 45 LYS H . . 3.640 3.629 3.607 3.636 . 0 0 "[ . 1 . 2]" 1
588 1 45 LYS H 1 45 LYS HB3 . . 3.670 3.682 3.667 3.708 0.038 17 0 "[ . 1 . 2]" 1
589 1 45 LYS H 1 45 LYS HD3 . . 5.500 3.507 3.254 3.835 . 0 0 "[ . 1 . 2]" 1
590 1 45 LYS H 1 45 LYS HG3 . . 3.700 3.525 3.370 3.607 . 0 0 "[ . 1 . 2]" 1
591 1 45 LYS H 1 46 ALA H . . 3.550 2.289 1.998 2.531 . 0 0 "[ . 1 . 2]" 1
592 1 45 LYS HA 1 45 LYS HD3 . . 3.170 2.877 2.562 3.161 . 0 0 "[ . 1 . 2]" 1
593 1 45 LYS HA 1 45 LYS HG3 . . 4.170 3.900 3.882 3.914 . 0 0 "[ . 1 . 2]" 1
594 1 45 LYS HA 1 46 ALA H . . 3.550 3.628 3.578 3.641 0.091 15 0 "[ . 1 . 2]" 1
595 1 45 LYS HA 1 78 ARG H . . 5.500 4.823 4.112 5.249 . 0 0 "[ . 1 . 2]" 1
596 1 45 LYS HA 1 78 ARG HB3 . . 5.500 4.274 3.444 4.915 . 0 0 "[ . 1 . 2]" 1
597 1 45 LYS HB3 1 45 LYS HD3 . . 4.180 3.380 3.178 3.581 . 0 0 "[ . 1 . 2]" 1
598 1 45 LYS HB3 1 46 ALA H . . 5.070 3.798 3.522 4.152 . 0 0 "[ . 1 . 2]" 1
599 1 45 LYS HD3 1 46 ALA H . . 5.500 5.280 5.117 5.491 . 0 0 "[ . 1 . 2]" 1
600 1 45 LYS HG3 1 46 ALA H . . 4.970 4.438 4.203 4.755 . 0 0 "[ . 1 . 2]" 1
601 1 46 ALA H 1 46 ALA MB . . 3.430 2.163 2.065 2.301 . 0 0 "[ . 1 . 2]" 1
602 1 46 ALA H 1 47 VAL H . . 4.940 4.522 4.471 4.550 . 0 0 "[ . 1 . 2]" 1
603 1 46 ALA HA 1 47 VAL H . . 2.990 2.601 2.543 2.664 . 0 0 "[ . 1 . 2]" 1
604 1 46 ALA HA 1 47 VAL MG1 . . 6.530 3.379 3.123 3.689 . 0 0 "[ . 1 . 2]" 1
605 1 46 ALA HA 1 47 VAL QG . . 6.120 3.127 2.987 3.202 . 0 0 "[ . 1 . 2]" 1
606 1 46 ALA HA 1 47 VAL MG2 . . 6.530 3.723 3.508 3.924 . 0 0 "[ . 1 . 2]" 1
607 1 46 ALA HA 1 77 LEU HA . . 2.560 2.272 2.030 2.560 0.000 19 0 "[ . 1 . 2]" 1
608 1 46 ALA HA 1 77 LEU MD2 . . 6.470 3.504 3.095 4.557 . 0 0 "[ . 1 . 2]" 1
609 1 46 ALA HA 1 78 ARG H . . 2.900 2.783 2.538 2.915 0.015 17 0 "[ . 1 . 2]" 1
610 1 46 ALA MB 1 47 VAL H . . 3.430 2.330 2.135 2.457 . 0 0 "[ . 1 . 2]" 1
611 1 46 ALA MB 1 75 TRP HE3 . . 4.080 2.858 2.458 3.164 . 0 0 "[ . 1 . 2]" 1
612 1 46 ALA MB 1 75 TRP HZ3 . . 5.100 3.770 3.363 4.010 . 0 0 "[ . 1 . 2]" 1
613 1 46 ALA MB 1 77 LEU HA . . 6.530 2.853 2.571 3.640 . 0 0 "[ . 1 . 2]" 1
614 1 46 ALA MB 1 77 LEU MD2 . . 6.410 2.794 2.415 4.017 . 0 0 "[ . 1 . 2]" 1
615 1 47 VAL H 1 47 VAL HB . . 4.110 3.799 3.733 3.939 . 0 0 "[ . 1 . 2]" 1
616 1 47 VAL H 1 47 VAL MG1 . . 3.920 3.034 2.830 3.228 . 0 0 "[ . 1 . 2]" 1
617 1 47 VAL H 1 47 VAL MG2 . . 3.920 2.181 1.952 2.387 . 0 0 "[ . 1 . 2]" 1
618 1 47 VAL H 1 48 ARG H . . 4.850 4.432 4.291 4.474 . 0 0 "[ . 1 . 2]" 1
619 1 47 VAL H 1 75 TRP HA . . 5.470 4.653 4.250 4.900 . 0 0 "[ . 1 . 2]" 1
620 1 47 VAL H 1 75 TRP HE3 . . 5.500 3.889 3.434 4.154 . 0 0 "[ . 1 . 2]" 1
621 1 47 VAL H 1 76 ALA H . . 3.020 2.797 2.465 2.963 . 0 0 "[ . 1 . 2]" 1
622 1 47 VAL H 1 78 ARG H . . 5.500 4.478 4.223 4.755 . 0 0 "[ . 1 . 2]" 1
623 1 47 VAL HA 1 48 ARG H . . 2.400 2.385 2.300 2.408 0.008 6 0 "[ . 1 . 2]" 1
624 1 47 VAL HB 1 48 ARG H . . 2.930 2.689 2.624 2.925 . 0 0 "[ . 1 . 2]" 1
625 1 47 VAL HB 1 78 ARG HD3 . . 5.500 4.963 4.160 5.500 . 0 0 "[ . 1 . 2]" 1
626 1 47 VAL QG 1 48 ARG H . . 5.230 3.319 3.266 3.419 . 0 0 "[ . 1 . 2]" 1
627 1 47 VAL QG 1 76 ALA MB . . 7.330 2.373 2.194 2.594 . 0 0 "[ . 1 . 2]" 1
628 1 47 VAL QG 1 78 ARG H . . 8.060 3.316 2.946 3.710 . 0 0 "[ . 1 . 2]" 1
629 1 47 VAL QG 1 78 ARG HA . . 5.220 2.090 1.736 2.804 . 0 0 "[ . 1 . 2]" 1
630 1 47 VAL MG1 1 48 ARG H . . 6.190 3.818 3.657 3.946 . 0 0 "[ . 1 . 2]" 1
631 1 47 VAL MG1 1 76 ALA H . . 6.280 5.151 4.897 5.239 . 0 0 "[ . 1 . 2]" 1
632 1 47 VAL MG1 1 76 ALA MB . . 7.560 4.561 4.420 4.770 . 0 0 "[ . 1 . 2]" 1
633 1 47 VAL MG1 1 78 ARG HA . . 6.120 2.206 1.766 3.014 . 0 0 "[ . 1 . 2]" 1
634 1 47 VAL MG1 1 78 ARG HB3 . . 6.500 3.847 3.713 3.971 . 0 0 "[ . 1 . 2]" 1
635 1 47 VAL MG1 1 78 ARG HD3 . . 5.850 2.411 1.929 2.778 . 0 0 "[ . 1 . 2]" 1
636 1 47 VAL MG1 1 78 ARG HG3 . . 7.440 3.957 3.305 4.212 . 0 0 "[ . 1 . 2]" 1
637 1 47 VAL MG2 1 48 ARG H . . 6.190 3.656 3.506 3.788 . 0 0 "[ . 1 . 2]" 1
638 1 47 VAL MG2 1 76 ALA H . . 6.280 3.085 2.830 3.315 . 0 0 "[ . 1 . 2]" 1
639 1 47 VAL MG2 1 76 ALA MB . . 7.560 2.381 2.199 2.606 . 0 0 "[ . 1 . 2]" 1
640 1 47 VAL MG2 1 78 ARG HA . . 6.120 2.671 2.199 3.338 . 0 0 "[ . 1 . 2]" 1
641 1 47 VAL MG2 1 78 ARG HB3 . . 6.500 5.034 4.714 5.250 . 0 0 "[ . 1 . 2]" 1
642 1 47 VAL MG2 1 78 ARG HD3 . . 5.850 4.426 3.822 4.718 . 0 0 "[ . 1 . 2]" 1
643 1 47 VAL MG2 1 78 ARG HG3 . . 7.440 5.174 4.909 5.425 . 0 0 "[ . 1 . 2]" 1
644 1 48 ARG H 1 48 ARG HB3 . . 3.390 3.002 2.537 3.414 0.024 9 0 "[ . 1 . 2]" 1
645 1 48 ARG H 1 48 ARG HD3 . . 5.500 4.843 3.948 5.518 0.018 17 0 "[ . 1 . 2]" 1
646 1 48 ARG H 1 48 ARG HG3 . . 5.500 4.013 3.170 4.450 . 0 0 "[ . 1 . 2]" 1
647 1 48 ARG H 1 49 ILE H . . 5.470 4.589 4.565 4.603 . 0 0 "[ . 1 . 2]" 1
648 1 48 ARG HA 1 48 ARG HD3 . . 5.500 3.525 2.756 4.475 . 0 0 "[ . 1 . 2]" 1
649 1 48 ARG HA 1 49 ILE H . . 2.650 2.298 2.272 2.303 . 0 0 "[ . 1 . 2]" 1
650 1 48 ARG HA 1 75 TRP HA . . 2.870 2.854 2.764 2.879 0.009 5 0 "[ . 1 . 2]" 1
651 1 48 ARG HA 1 76 ALA H . . 4.380 3.933 3.767 4.188 . 0 0 "[ . 1 . 2]" 1
652 1 48 ARG HB3 1 49 ILE H . . 4.320 3.584 3.185 4.060 . 0 0 "[ . 1 . 2]" 1
653 1 48 ARG HD3 1 49 ILE H . . 5.500 4.535 3.403 5.462 . 0 0 "[ . 1 . 2]" 1
654 1 48 ARG HD3 1 75 TRP HH2 . . 5.500 3.585 2.803 4.687 . 0 0 "[ . 1 . 2]" 1
655 1 48 ARG HD3 1 75 TRP HZ2 . . 5.500 3.838 2.757 4.881 . 0 0 "[ . 1 . 2]" 1
656 1 48 ARG HG3 1 49 ILE H . . 5.500 3.548 2.201 5.089 . 0 0 "[ . 1 . 2]" 1
657 1 49 ILE H 1 49 ILE HB . . 2.870 2.498 2.425 2.566 . 0 0 "[ . 1 . 2]" 1
658 1 49 ILE H 1 49 ILE MD . . 5.570 3.646 2.435 4.233 . 0 0 "[ . 1 . 2]" 1
659 1 49 ILE H 1 49 ILE HG13 . . 4.570 4.059 3.816 4.344 . 0 0 "[ . 1 . 2]" 1
660 1 49 ILE H 1 50 GLN H . . 4.720 4.496 4.476 4.528 . 0 0 "[ . 1 . 2]" 1
661 1 49 ILE H 1 74 TRP H . . 3.980 3.127 2.895 3.388 . 0 0 "[ . 1 . 2]" 1
662 1 49 ILE H 1 75 TRP HA . . 4.510 2.998 2.760 3.352 . 0 0 "[ . 1 . 2]" 1
663 1 49 ILE HA 1 49 ILE MD . . 4.730 2.278 1.905 3.127 . 0 0 "[ . 1 . 2]" 1
664 1 49 ILE HA 1 49 ILE HG13 . . 3.800 3.402 2.243 3.760 . 0 0 "[ . 1 . 2]" 1
665 1 49 ILE HA 1 50 GLN H . . 2.710 2.338 2.298 2.351 . 0 0 "[ . 1 . 2]" 1
666 1 49 ILE HB 1 50 GLN H . . 4.600 4.006 3.920 4.121 . 0 0 "[ . 1 . 2]" 1
667 1 49 ILE HB 1 74 TRP H . . 4.260 3.023 2.827 3.167 . 0 0 "[ . 1 . 2]" 1
668 1 49 ILE HB 1 74 TRP HB3 . . 3.980 2.665 2.525 3.025 . 0 0 "[ . 1 . 2]" 1
669 1 49 ILE HB 1 74 TRP HD1 . . 5.500 5.469 5.389 5.520 0.020 17 0 "[ . 1 . 2]" 1
670 1 49 ILE HB 1 74 TRP HE3 . . 5.220 4.022 3.841 4.213 . 0 0 "[ . 1 . 2]" 1
671 1 49 ILE MD 1 50 GLN H . . 6.530 3.533 2.963 4.867 . 0 0 "[ . 1 . 2]" 1
672 1 49 ILE MD 1 74 TRP HB3 . . 6.030 4.696 3.510 5.076 . 0 0 "[ . 1 . 2]" 1
673 1 49 ILE MD 1 76 ALA H . . 6.160 4.231 2.536 5.001 . 0 0 "[ . 1 . 2]" 1
674 1 49 ILE MD 1 76 ALA MB . . 6.530 2.436 1.656 3.258 . 0 0 "[ . 1 . 2]" 1
675 1 49 ILE HG13 1 50 GLN H . . 5.500 4.873 4.023 5.295 . 0 0 "[ . 1 . 2]" 1
676 1 49 ILE HG13 1 74 TRP HB3 . . 7.250 4.313 3.814 5.770 . 0 0 "[ . 1 . 2]" 1
677 1 49 ILE MG 1 50 GLN H . . 3.950 2.085 1.923 2.188 . 0 0 "[ . 1 . 2]" 1
678 1 49 ILE MG 1 73 GLU HA . . 6.530 4.591 4.347 5.010 . 0 0 "[ . 1 . 2]" 1
679 1 49 ILE MG 1 74 TRP HA . . 6.530 4.571 4.379 4.698 . 0 0 "[ . 1 . 2]" 1
680 1 49 ILE MG 1 74 TRP HB3 . . 6.340 3.099 2.846 3.485 . 0 0 "[ . 1 . 2]" 1
681 1 49 ILE MG 1 74 TRP HD1 . . 6.530 5.216 5.068 5.284 . 0 0 "[ . 1 . 2]" 1
682 1 49 ILE MG 1 74 TRP HE3 . . 6.060 2.404 2.142 2.584 . 0 0 "[ . 1 . 2]" 1
683 1 50 GLN H 1 50 GLN HB3 . . 3.210 2.546 2.416 3.254 0.044 14 0 "[ . 1 . 2]" 1
684 1 50 GLN H 1 50 GLN HG3 . . 4.660 4.509 4.343 4.624 . 0 0 "[ . 1 . 2]" 1
685 1 50 GLN H 1 51 GLU H . . 5.440 4.528 4.492 4.563 . 0 0 "[ . 1 . 2]" 1
686 1 50 GLN HA 1 51 GLU H . . 3.020 2.387 2.361 2.474 . 0 0 "[ . 1 . 2]" 1
687 1 50 GLN HA 1 73 GLU HA . . 2.650 2.508 2.383 2.672 0.022 6 0 "[ . 1 . 2]" 1
688 1 50 GLN HA 1 74 TRP H . . 3.980 3.077 2.820 3.478 . 0 0 "[ . 1 . 2]" 1
689 1 50 GLN HB3 1 50 GLN HE22 . . 5.500 4.657 3.997 4.991 . 0 0 "[ . 1 . 2]" 1
690 1 50 GLN HB3 1 51 GLU H . . 3.950 3.874 2.857 4.001 0.051 1 0 "[ . 1 . 2]" 1
691 1 50 GLN HG3 1 51 GLU H . . 5.220 2.180 1.937 4.399 . 0 0 "[ . 1 . 2]" 1
692 1 51 GLU H 1 51 GLU HA . . 2.870 2.906 2.887 2.919 0.049 18 0 "[ . 1 . 2]" 1
693 1 51 GLU H 1 51 GLU HB3 . . 3.490 3.320 3.081 3.457 . 0 0 "[ . 1 . 2]" 1
694 1 51 GLU H 1 51 GLU HG3 . . 4.320 3.978 3.660 4.325 0.005 17 0 "[ . 1 . 2]" 1
695 1 51 GLU H 1 52 GLU H . . 5.500 4.527 4.489 4.560 . 0 0 "[ . 1 . 2]" 1
696 1 51 GLU H 1 73 GLU HA . . 3.520 3.479 3.270 3.535 0.015 5 0 "[ . 1 . 2]" 1
697 1 51 GLU H 1 74 TRP H . . 4.940 4.488 4.303 4.733 . 0 0 "[ . 1 . 2]" 1
698 1 51 GLU HA 1 51 GLU HG3 . . 4.040 3.170 2.832 3.425 . 0 0 "[ . 1 . 2]" 1
699 1 51 GLU HA 1 52 GLU H . . 2.590 2.571 2.517 2.596 0.006 8 0 "[ . 1 . 2]" 1
700 1 51 GLU HA 1 74 TRP HH2 . . 5.500 5.351 4.777 5.513 0.013 17 0 "[ . 1 . 2]" 1
701 1 51 GLU HA 1 74 TRP HZ3 . . 5.500 4.726 4.172 5.162 . 0 0 "[ . 1 . 2]" 1
702 1 51 GLU HB3 1 52 GLU H . . 3.980 2.550 2.388 2.765 . 0 0 "[ . 1 . 2]" 1
703 1 51 GLU HB3 1 72 ARG H . . 4.880 4.487 4.010 4.879 . 0 0 "[ . 1 . 2]" 1
704 1 52 GLU H 1 52 GLU HB3 . . 3.550 3.524 3.436 3.568 0.018 19 0 "[ . 1 . 2]" 1
705 1 52 GLU H 1 52 GLU HG3 . . 3.490 2.877 2.303 3.385 . 0 0 "[ . 1 . 2]" 1
706 1 52 GLU HA 1 52 GLU HG3 . . 3.610 3.347 3.051 3.559 . 0 0 "[ . 1 . 2]" 1
707 1 52 GLU HA 1 53 PRO HD3 . . 2.800 2.022 1.932 2.159 . 0 0 "[ . 1 . 2]" 1
708 1 53 PRO HA 1 54 ASP H . . 2.770 2.783 2.782 2.786 0.016 8 0 "[ . 1 . 2]" 1
709 1 53 PRO HB3 1 54 ASP H . . 4.290 3.100 3.098 3.101 . 0 0 "[ . 1 . 2]" 1
710 1 53 PRO HD3 1 54 ASP H . . 5.500 5.534 5.532 5.535 0.035 16 0 "[ . 1 . 2]" 1
711 1 53 PRO HG3 1 54 ASP H . . 5.500 4.671 4.669 4.673 . 0 0 "[ . 1 . 2]" 1
712 1 54 ASP H 1 54 ASP HB3 . . 3.700 3.219 2.675 3.693 . 0 0 "[ . 1 . 2]" 1
713 1 54 ASP H 1 55 GLY H . . 5.500 4.329 2.064 4.654 . 0 0 "[ . 1 . 2]" 1
714 1 54 ASP HA 1 55 GLY H . . 3.080 2.534 2.327 3.096 0.016 8 0 "[ . 1 . 2]" 1
715 1 54 ASP HB3 1 55 GLY H . . 4.140 3.351 2.366 4.153 0.013 8 0 "[ . 1 . 2]" 1
716 1 55 GLY H 1 56 CYS H . . 5.500 3.851 2.337 4.674 . 0 0 "[ . 1 . 2]" 1
717 1 56 CYS H 1 57 LEU H . . 5.500 4.142 2.049 4.646 . 0 0 "[ . 1 . 2]" 1
718 1 56 CYS HB3 1 57 LEU H . . 4.540 3.325 2.540 4.157 . 0 0 "[ . 1 . 2]" 1
719 1 57 LEU H 1 57 LEU HG . . 4.600 4.280 3.901 4.586 . 0 0 "[ . 1 . 2]" 1
720 1 57 LEU H 1 58 SER H . . 4.820 4.191 2.499 4.654 . 0 0 "[ . 1 . 2]" 1
721 1 57 LEU HB3 1 57 LEU HG . . 2.400 2.430 2.405 2.459 0.059 5 0 "[ . 1 . 2]" 1
722 1 57 LEU HB3 1 58 SER H . . 5.500 3.113 2.164 4.239 . 0 0 "[ . 1 . 2]" 1
723 1 57 LEU MD1 1 58 SER H . . 6.530 2.962 2.198 4.518 . 0 0 "[ . 1 . 2]" 1
724 1 57 LEU MD2 1 58 SER H . . 6.530 4.134 2.637 4.568 . 0 0 "[ . 1 . 2]" 1
725 1 57 LEU HG 1 58 SER H . . 5.500 4.794 4.133 5.357 . 0 0 "[ . 1 . 2]" 1
726 1 58 SER H 1 59 GLY H . . 5.000 3.924 2.195 4.636 . 0 0 "[ . 1 . 2]" 1
727 1 58 SER HB3 1 59 GLY H . . 5.500 3.293 2.136 4.550 . 0 0 "[ . 1 . 2]" 1
728 1 59 GLY H 1 60 SER H . . 5.130 3.774 2.383 4.614 . 0 0 "[ . 1 . 2]" 1
729 1 60 SER H 1 61 CYS H . . 5.500 4.208 3.281 4.622 . 0 0 "[ . 1 . 2]" 1
730 1 60 SER HB3 1 61 CYS H . . 5.500 3.608 2.344 4.372 . 0 0 "[ . 1 . 2]" 1
731 1 62 LYS HA 1 62 LYS HD3 . . 5.380 3.751 2.711 4.491 . 0 0 "[ . 1 . 2]" 1
732 1 62 LYS HA 1 62 LYS HE3 . . 5.500 4.002 2.098 5.359 . 0 0 "[ . 1 . 2]" 1
733 1 62 LYS HA 1 62 LYS HG3 . . 4.040 2.917 2.065 3.515 . 0 0 "[ . 1 . 2]" 1
734 1 62 LYS HB3 1 62 LYS HE3 . . 5.500 4.165 2.821 5.397 . 0 0 "[ . 1 . 2]" 1
735 1 62 LYS HB3 1 63 SER H . . 5.500 3.235 2.129 4.487 . 0 0 "[ . 1 . 2]" 1
736 1 62 LYS HD3 1 63 SER H . . 5.500 4.204 1.999 5.490 . 0 0 "[ . 1 . 2]" 1
737 1 62 LYS HE3 1 63 SER H . . 5.500 4.298 2.211 5.388 . 0 0 "[ . 1 . 2]" 1
738 1 62 LYS HG3 1 63 SER H . . 5.500 3.901 2.309 5.319 . 0 0 "[ . 1 . 2]" 1
739 1 65 PRO HA 1 66 GLU H . . 2.900 2.785 2.782 2.787 . 0 0 "[ . 1 . 2]" 1
740 1 65 PRO HD3 1 66 GLU H . . 5.500 5.533 5.531 5.535 0.035 10 0 "[ . 1 . 2]" 1
741 1 65 PRO HG3 1 66 GLU H . . 5.500 4.669 4.666 4.672 . 0 0 "[ . 1 . 2]" 1
742 1 66 GLU H 1 66 GLU HB3 . . 3.760 3.395 2.619 3.832 0.072 5 0 "[ . 1 . 2]" 1
743 1 66 GLU H 1 66 GLU HG3 . . 4.630 3.699 2.163 4.664 0.034 14 0 "[ . 1 . 2]" 1
744 1 66 GLU H 1 67 GLY H . . 4.110 4.024 3.245 4.301 0.191 18 0 "[ . 1 . 2]" 1
745 1 66 GLU HA 1 67 GLY H . . 3.270 2.741 2.203 3.073 . 0 0 "[ . 1 . 2]" 1
746 1 66 GLU HB3 1 67 GLY H . . 5.500 3.146 1.875 4.722 . 0 0 "[ . 1 . 2]" 1
747 1 66 GLU HG3 1 67 GLY H . . 5.500 4.174 2.314 5.481 . 0 0 "[ . 1 . 2]" 1
748 1 67 GLY H 1 68 LYS H . . 4.230 3.433 2.239 4.219 . 0 0 "[ . 1 . 2]" 1
749 1 68 LYS H 1 68 LYS HD3 . . 5.500 4.805 3.946 5.500 . 15 0 "[ . 1 . 2]" 1
750 1 68 LYS H 1 68 LYS HE3 . . 5.500 4.906 3.330 5.498 . 0 0 "[ . 1 . 2]" 1
751 1 68 LYS H 1 68 LYS HG3 . . 5.100 3.455 2.086 4.586 . 0 0 "[ . 1 . 2]" 1
752 1 68 LYS H 1 69 ALA H . . 4.660 4.457 4.252 4.665 0.005 4 0 "[ . 1 . 2]" 1
753 1 68 LYS HA 1 68 LYS HD3 . . 5.500 3.853 2.129 5.490 . 0 0 "[ . 1 . 2]" 1
754 1 68 LYS HA 1 68 LYS HE3 . . 5.500 4.004 2.365 5.471 . 0 0 "[ . 1 . 2]" 1
755 1 68 LYS HA 1 69 ALA H . . 3.240 2.432 2.179 2.669 . 0 0 "[ . 1 . 2]" 1
756 1 68 LYS HB3 1 68 LYS HE3 . . 5.500 3.784 2.372 5.150 . 0 0 "[ . 1 . 2]" 1
757 1 68 LYS HB3 1 69 ALA H . . 5.500 3.291 2.144 4.134 . 0 0 "[ . 1 . 2]" 1
758 1 68 LYS HD3 1 69 ALA H . . 5.500 4.339 2.619 5.503 0.003 7 0 "[ . 1 . 2]" 1
759 1 68 LYS HE3 1 69 ALA H . . 5.500 4.538 3.084 5.445 . 0 0 "[ . 1 . 2]" 1
760 1 68 LYS HG3 1 69 ALA H . . 5.500 4.225 2.067 5.496 . 0 0 "[ . 1 . 2]" 1
761 1 69 ALA H 1 70 CYS H . . 5.500 4.331 3.348 4.675 . 0 0 "[ . 1 . 2]" 1
762 1 69 ALA HA 1 70 CYS H . . 3.140 2.345 2.187 2.667 . 0 0 "[ . 1 . 2]" 1
763 1 70 CYS H 1 70 CYS HA . . 2.900 2.854 2.711 2.907 0.007 20 0 "[ . 1 . 2]" 1
764 1 70 CYS H 1 70 CYS HB3 . . 4.170 3.213 2.471 3.634 . 0 0 "[ . 1 . 2]" 1
765 1 70 CYS H 1 71 LEU H . . 5.500 4.614 4.569 4.671 . 0 0 "[ . 1 . 2]" 1
766 1 70 CYS HA 1 71 LEU H . . 2.520 2.421 2.365 2.506 . 0 0 "[ . 1 . 2]" 1
767 1 70 CYS HB3 1 71 LEU H . . 3.980 3.212 2.479 3.982 0.002 9 0 "[ . 1 . 2]" 1
768 1 71 LEU H 1 71 LEU HB3 . . 3.670 3.461 3.429 3.483 . 0 0 "[ . 1 . 2]" 1
769 1 71 LEU H 1 71 LEU HG . . 3.860 3.863 3.830 3.897 0.037 17 0 "[ . 1 . 2]" 1
770 1 71 LEU H 1 72 ARG H . . 4.760 4.666 4.660 4.672 . 0 0 "[ . 1 . 2]" 1
771 1 71 LEU HA 1 71 LEU HB3 . . 2.900 2.652 2.634 2.702 . 0 0 "[ . 1 . 2]" 1
772 1 71 LEU HA 1 71 LEU MD1 . . 3.920 2.050 1.965 2.161 . 0 0 "[ . 1 . 2]" 1
773 1 71 LEU HA 1 71 LEU HG . . 3.730 3.660 3.643 3.663 . 0 0 "[ . 1 . 2]" 1
774 1 71 LEU HA 1 72 ARG H . . 2.400 2.440 2.433 2.457 0.057 17 0 "[ . 1 . 2]" 1
775 1 71 LEU HB3 1 71 LEU HG . . 2.400 2.439 2.425 2.468 0.068 11 0 "[ . 1 . 2]" 1
776 1 71 LEU HB3 1 72 ARG H . . 3.520 2.614 2.608 2.629 . 0 0 "[ . 1 . 2]" 1
777 1 71 LEU MD1 1 72 ARG H . . 5.850 2.633 2.244 2.807 . 0 0 "[ . 1 . 2]" 1
778 1 71 LEU MD2 1 72 ARG H . . 6.160 4.399 4.255 4.473 . 0 0 "[ . 1 . 2]" 1
779 1 71 LEU HG 1 72 ARG H . . 4.600 4.597 4.514 4.618 0.018 4 0 "[ . 1 . 2]" 1
780 1 72 ARG H 1 72 ARG HD3 . . 5.500 5.169 4.921 5.463 . 0 0 "[ . 1 . 2]" 1
781 1 72 ARG H 1 72 ARG HG3 . . 3.550 3.395 3.196 3.528 . 0 0 "[ . 1 . 2]" 1
782 1 72 ARG H 1 73 GLU H . . 4.200 4.188 4.094 4.216 0.016 6 0 "[ . 1 . 2]" 1
783 1 72 ARG HA 1 72 ARG HD3 . . 5.500 3.473 3.137 3.865 . 0 0 "[ . 1 . 2]" 1
784 1 72 ARG HA 1 72 ARG HG3 . . 3.420 3.338 3.186 3.433 0.013 14 0 "[ . 1 . 2]" 1
785 1 72 ARG HA 1 73 GLU H . . 2.490 2.322 2.306 2.367 . 0 0 "[ . 1 . 2]" 1
786 1 72 ARG HB3 1 73 GLU H . . 4.200 4.138 4.097 4.202 0.002 8 0 "[ . 1 . 2]" 1
787 1 73 GLU H 1 73 GLU HB3 . . 3.640 3.494 2.485 3.575 . 0 0 "[ . 1 . 2]" 1
788 1 73 GLU H 1 73 GLU HG3 . . 5.500 2.560 2.002 3.711 . 0 0 "[ . 1 . 2]" 1
789 1 73 GLU HA 1 74 TRP H . . 2.650 2.268 2.236 2.312 . 0 0 "[ . 1 . 2]" 1
790 1 73 GLU HB3 1 74 TRP H . . 4.170 3.171 2.990 4.205 0.035 12 0 "[ . 1 . 2]" 1
791 1 73 GLU HB3 1 75 TRP HE1 . . 5.500 5.423 5.200 5.525 0.025 12 0 "[ . 1 . 2]" 1
792 1 73 GLU HG3 1 74 TRP H . . 5.500 4.801 3.942 5.500 0.000 1 0 "[ . 1 . 2]" 1
793 1 74 TRP H 1 74 TRP HB3 . . 3.520 3.535 3.514 3.556 0.036 1 0 "[ . 1 . 2]" 1
794 1 74 TRP H 1 74 TRP HD1 . . 4.290 3.949 3.709 4.075 . 0 0 "[ . 1 . 2]" 1
795 1 74 TRP H 1 74 TRP HE3 . . 4.820 4.787 4.639 4.852 0.032 12 0 "[ . 1 . 2]" 1
796 1 74 TRP H 1 75 TRP H . . 5.000 4.524 4.502 4.576 . 0 0 "[ . 1 . 2]" 1
797 1 74 TRP HA 1 74 TRP HD1 . . 5.100 2.022 1.988 2.110 . 0 0 "[ . 1 . 2]" 1
798 1 74 TRP HA 1 74 TRP HE3 . . 5.130 5.120 5.112 5.139 0.009 13 0 "[ . 1 . 2]" 1
799 1 74 TRP HA 1 75 TRP H . . 2.740 2.559 2.498 2.577 . 0 0 "[ . 1 . 2]" 1
800 1 74 TRP HB3 1 75 TRP H . . 3.800 2.352 2.304 2.464 . 0 0 "[ . 1 . 2]" 1
801 1 75 TRP H 1 75 TRP HB3 . . 3.800 3.727 3.688 3.785 . 0 0 "[ . 1 . 2]" 1
802 1 75 TRP H 1 75 TRP HD1 . . 3.420 3.361 3.231 3.435 0.015 12 0 "[ . 1 . 2]" 1
803 1 75 TRP H 1 75 TRP HE3 . . 5.500 5.501 5.466 5.573 0.073 12 0 "[ . 1 . 2]" 1
804 1 75 TRP H 1 76 ALA H . . 5.030 4.446 4.397 4.472 . 0 0 "[ . 1 . 2]" 1
805 1 75 TRP HA 1 75 TRP HE3 . . 4.290 3.003 2.926 3.066 . 0 0 "[ . 1 . 2]" 1
806 1 75 TRP HA 1 76 ALA H . . 2.400 2.338 2.312 2.365 . 0 0 "[ . 1 . 2]" 1
807 1 75 TRP HA 1 76 ALA MB . . 6.220 3.816 3.747 3.864 . 0 0 "[ . 1 . 2]" 1
808 1 75 TRP HB3 1 76 ALA H . . 4.010 2.870 2.795 2.951 . 0 0 "[ . 1 . 2]" 1
809 1 75 TRP HE3 1 76 ALA H . . 4.320 3.299 3.101 3.482 . 0 0 "[ . 1 . 2]" 1
810 1 76 ALA H 1 76 ALA HA . . 2.900 2.876 2.872 2.886 . 0 0 "[ . 1 . 2]" 1
811 1 76 ALA H 1 76 ALA MB . . 3.430 2.715 2.657 2.750 . 0 0 "[ . 1 . 2]" 1
812 1 76 ALA H 1 77 LEU H . . 5.500 4.364 4.356 4.373 . 0 0 "[ . 1 . 2]" 1
813 1 76 ALA HA 1 77 LEU H . . 2.990 2.594 2.431 2.647 . 0 0 "[ . 1 . 2]" 1
814 1 76 ALA MB 1 77 LEU H . . 3.460 2.331 2.138 2.643 . 0 0 "[ . 1 . 2]" 1
815 1 77 LEU H 1 77 LEU HB3 . . 3.800 3.633 3.568 3.673 . 0 0 "[ . 1 . 2]" 1
816 1 77 LEU H 1 77 LEU MD1 . . 4.790 3.518 2.381 3.856 . 0 0 "[ . 1 . 2]" 1
817 1 77 LEU H 1 77 LEU MD2 . . 4.980 3.335 2.849 4.153 . 0 0 "[ . 1 . 2]" 1
818 1 77 LEU H 1 77 LEU HG . . 3.170 2.274 2.104 2.870 . 0 0 "[ . 1 . 2]" 1
819 1 77 LEU H 1 78 ARG H . . 4.630 4.590 4.564 4.635 0.005 18 0 "[ . 1 . 2]" 1
820 1 77 LEU HA 1 77 LEU MD2 . . 3.920 2.300 2.002 3.198 . 0 0 "[ . 1 . 2]" 1
821 1 77 LEU HA 1 78 ARG H . . 2.520 2.408 2.349 2.507 . 0 0 "[ . 1 . 2]" 1
822 1 77 LEU HB3 1 78 ARG H . . 3.670 2.676 2.489 2.818 . 0 0 "[ . 1 . 2]" 1
823 1 77 LEU MD1 1 78 ARG H . . 6.030 4.714 4.529 5.005 . 0 0 "[ . 1 . 2]" 1
824 1 77 LEU MD2 1 78 ARG H . . 4.980 3.824 3.615 4.019 . 0 0 "[ . 1 . 2]" 1
825 1 77 LEU HG 1 78 ARG H . . 5.500 5.052 4.601 5.170 . 0 0 "[ . 1 . 2]" 1
826 1 78 ARG H 1 78 ARG HB3 . . 3.140 2.461 2.337 3.055 . 0 0 "[ . 1 . 2]" 1
827 1 78 ARG H 1 78 ARG HD3 . . 5.500 5.037 4.571 5.441 . 0 0 "[ . 1 . 2]" 1
828 1 78 ARG H 1 78 ARG HG3 . . 5.500 4.360 4.278 4.456 . 0 0 "[ . 1 . 2]" 1
829 1 78 ARG HA 1 78 ARG HB3 . . 2.990 3.054 2.982 3.062 0.072 14 0 "[ . 1 . 2]" 1
830 1 78 ARG HA 1 78 ARG HD3 . . 4.970 3.369 2.523 3.700 . 0 0 "[ . 1 . 2]" 1
831 1 78 ARG HA 1 78 ARG HG3 . . 4.010 3.037 2.826 3.596 . 0 0 "[ . 1 . 2]" 1
832 1 78 ARG HB3 1 78 ARG HD3 . . 3.860 3.757 3.621 3.874 0.014 2 0 "[ . 1 . 2]" 1
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