NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441946 |
2kbt   |
16053 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kbt
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 1206
_Distance_constraint_stats_list.Viol_count 741
_Distance_constraint_stats_list.Viol_total 55.818
_Distance_constraint_stats_list.Viol_max 0.071
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0038
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 0.014 0.005 5 0 "[ . 1 . 2]"
1 8 ALA 0.015 0.005 19 0 "[ . 1 . 2]"
1 9 LYS 0.189 0.009 17 0 "[ . 1 . 2]"
1 10 ALA 0.010 0.002 20 0 "[ . 1 . 2]"
1 11 ARG 0.005 0.001 19 0 "[ . 1 . 2]"
1 12 TYR 0.020 0.003 19 0 "[ . 1 . 2]"
1 13 ASP 0.003 0.001 12 0 "[ . 1 . 2]"
1 14 PHE 0.044 0.006 10 0 "[ . 1 . 2]"
1 15 CYS 0.005 0.002 20 0 "[ . 1 . 2]"
1 16 ALA 0.010 0.002 4 0 "[ . 1 . 2]"
1 17 ARG 0.026 0.012 4 0 "[ . 1 . 2]"
1 18 ASP 0.031 0.012 4 0 "[ . 1 . 2]"
1 19 ARG 0.004 0.001 1 0 "[ . 1 . 2]"
1 20 SER 0.004 0.002 4 0 "[ . 1 . 2]"
1 21 GLU 0.034 0.003 11 0 "[ . 1 . 2]"
1 22 LEU 0.119 0.031 20 0 "[ . 1 . 2]"
1 23 SER 0.046 0.006 16 0 "[ . 1 . 2]"
1 24 LEU 0.061 0.006 16 0 "[ . 1 . 2]"
1 25 LYS 0.047 0.010 14 0 "[ . 1 . 2]"
1 26 GLU 0.076 0.010 14 0 "[ . 1 . 2]"
1 27 GLY 0.020 0.003 19 0 "[ . 1 . 2]"
1 28 ASP 0.035 0.007 20 0 "[ . 1 . 2]"
1 29 ILE 0.091 0.006 20 0 "[ . 1 . 2]"
1 30 ILE 0.208 0.020 13 0 "[ . 1 . 2]"
1 31 LYS 0.138 0.020 13 0 "[ . 1 . 2]"
1 32 ILE 0.053 0.007 13 0 "[ . 1 . 2]"
1 33 LEU 0.058 0.005 13 0 "[ . 1 . 2]"
1 34 ASN 0.036 0.007 13 0 "[ . 1 . 2]"
1 35 LYS 0.061 0.024 13 0 "[ . 1 . 2]"
1 36 LYS 0.011 0.003 12 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.071 0.022 10 0 "[ . 1 . 2]"
1 41 TRP 0.119 0.022 10 0 "[ . 1 . 2]"
1 42 TRP 0.164 0.024 13 0 "[ . 1 . 2]"
1 43 ARG 0.037 0.007 12 0 "[ . 1 . 2]"
1 44 GLY 0.046 0.023 20 0 "[ . 1 . 2]"
1 45 GLU 0.564 0.029 6 0 "[ . 1 . 2]"
1 46 ILE 0.105 0.011 16 0 "[ . 1 . 2]"
1 47 TYR 0.052 0.010 18 0 "[ . 1 . 2]"
1 48 GLY 0.121 0.024 12 0 "[ . 1 . 2]"
1 49 ARG 0.119 0.046 18 0 "[ . 1 . 2]"
1 50 ILE 0.676 0.029 6 0 "[ . 1 . 2]"
1 51 GLY 0.045 0.004 7 0 "[ . 1 . 2]"
1 52 TRP 0.067 0.008 9 0 "[ . 1 . 2]"
1 53 PHE 0.145 0.021 9 0 "[ . 1 . 2]"
1 54 PRO 0.425 0.034 20 0 "[ . 1 . 2]"
1 55 SER 0.399 0.034 20 0 "[ . 1 . 2]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.062 0.006 9 0 "[ . 1 . 2]"
1 58 VAL 0.071 0.006 9 0 "[ . 1 . 2]"
1 59 GLU 0.017 0.003 17 0 "[ . 1 . 2]"
1 60 GLU 0.098 0.061 19 0 "[ . 1 . 2]"
1 61 ASP 0.083 0.061 19 0 "[ . 1 . 2]"
1 62 TYR 0.051 0.009 17 0 "[ . 1 . 2]"
1 63 SER 0.005 0.003 19 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 0.018 0.015 9 0 "[ . 1 . 2]"
1 66 LEU 0.125 0.071 17 0 "[ . 1 . 2]"
1 67 PRO 0.052 0.047 17 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 16 0 "[ . 1 . 2]"
1 69 THR 0.047 0.047 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 PRO HD2 . . 2.880 2.391 2.206 2.874 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 PRO QD . . 2.500 2.014 1.931 2.232 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 2 PRO HD3 . . 2.880 2.214 2.004 2.665 . 0 0 "[ . 1 . 2]" 1
4 1 4 THR HA 1 4 THR MG . . 3.100 2.356 2.121 2.574 . 0 0 "[ . 1 . 2]" 1
5 1 4 THR HB 1 5 PHE H . . 4.470 3.551 2.069 4.445 . 0 0 "[ . 1 . 2]" 1
6 1 4 THR MG 1 5 PHE H . . 4.940 2.930 1.875 4.384 . 0 0 "[ . 1 . 2]" 1
7 1 5 PHE H 1 5 PHE QB . . 3.620 2.278 1.995 3.148 . 0 0 "[ . 1 . 2]" 1
8 1 5 PHE H 1 6 GLY H . . 4.920 3.736 2.343 4.651 . 0 0 "[ . 1 . 2]" 1
9 1 5 PHE QB 1 6 GLY H . . 3.790 2.260 1.916 3.779 . 0 0 "[ . 1 . 2]" 1
10 1 5 PHE QB 1 32 ILE HB . . 4.050 2.533 2.040 3.576 . 0 0 "[ . 1 . 2]" 1
11 1 5 PHE QB 1 32 ILE MG . . 3.890 2.797 1.954 3.609 . 0 0 "[ . 1 . 2]" 1
12 1 5 PHE HB2 1 6 GLY H . . 4.400 3.033 1.957 4.173 . 0 0 "[ . 1 . 2]" 1
13 1 5 PHE HB2 1 32 ILE HB . . 4.610 3.467 2.340 4.608 . 0 0 "[ . 1 . 2]" 1
14 1 5 PHE HB2 1 32 ILE MG . . 4.540 3.506 1.976 4.507 . 0 0 "[ . 1 . 2]" 1
15 1 5 PHE HB3 1 6 GLY H . . 4.400 2.597 2.014 4.395 . 0 0 "[ . 1 . 2]" 1
16 1 5 PHE HB3 1 32 ILE HB . . 4.610 3.015 2.051 4.546 . 0 0 "[ . 1 . 2]" 1
17 1 5 PHE HB3 1 32 ILE MG . . 4.540 3.249 2.288 4.513 . 0 0 "[ . 1 . 2]" 1
18 1 5 PHE QD 1 32 ILE MG . . 4.630 2.608 1.957 3.409 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE QE 1 32 ILE MG . . 4.350 3.574 2.609 4.335 . 0 0 "[ . 1 . 2]" 1
20 1 6 GLY H 1 7 THR H . . 3.770 3.384 2.309 3.768 . 0 0 "[ . 1 . 2]" 1
21 1 6 GLY H 1 32 ILE HB . . 4.670 2.819 2.200 4.200 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLY QA 1 7 THR H . . 2.870 2.281 2.169 2.677 . 0 0 "[ . 1 . 2]" 1
23 1 6 GLY QA 1 32 ILE H . . 5.000 4.575 4.253 4.902 . 0 0 "[ . 1 . 2]" 1
24 1 7 THR H 1 7 THR HB . . 4.090 3.807 3.693 3.856 . 0 0 "[ . 1 . 2]" 1
25 1 7 THR H 1 7 THR MG . . 3.660 3.347 3.195 3.414 . 0 0 "[ . 1 . 2]" 1
26 1 7 THR H 1 8 ALA H . . 4.500 4.388 4.369 4.436 . 0 0 "[ . 1 . 2]" 1
27 1 7 THR H 1 31 LYS QD . . 5.300 5.088 4.766 5.251 . 0 0 "[ . 1 . 2]" 1
28 1 7 THR H 1 32 ILE MD . . 5.440 4.954 4.552 5.400 . 0 0 "[ . 1 . 2]" 1
29 1 7 THR H 1 60 GLU HA . . 5.150 4.720 4.348 5.125 . 0 0 "[ . 1 . 2]" 1
30 1 7 THR HA 1 7 THR MG . . 3.120 2.224 2.194 2.307 . 0 0 "[ . 1 . 2]" 1
31 1 7 THR HA 1 8 ALA H . . 3.000 2.554 2.460 2.651 . 0 0 "[ . 1 . 2]" 1
32 1 7 THR HA 1 8 ALA MB . . 4.950 3.765 3.718 3.796 . 0 0 "[ . 1 . 2]" 1
33 1 7 THR HA 1 29 ILE MG . . 5.150 5.011 4.850 5.117 . 0 0 "[ . 1 . 2]" 1
34 1 7 THR HA 1 30 ILE H . . 4.910 4.355 4.058 4.686 . 0 0 "[ . 1 . 2]" 1
35 1 7 THR HA 1 30 ILE HB . . 5.380 5.208 5.019 5.385 0.005 5 0 "[ . 1 . 2]" 1
36 1 7 THR HA 1 30 ILE MG . . 4.630 4.329 4.231 4.499 . 0 0 "[ . 1 . 2]" 1
37 1 7 THR HA 1 31 LYS HA . . 3.570 2.610 2.349 2.743 . 0 0 "[ . 1 . 2]" 1
38 1 7 THR HA 1 32 ILE H . . 3.630 2.342 2.146 2.610 . 0 0 "[ . 1 . 2]" 1
39 1 7 THR HA 1 32 ILE HB . . 4.520 3.926 3.579 4.265 . 0 0 "[ . 1 . 2]" 1
40 1 7 THR HA 1 32 ILE MD . . 4.300 3.797 3.395 4.097 . 0 0 "[ . 1 . 2]" 1
41 1 7 THR HA 1 32 ILE HG13 . . 4.400 3.348 2.986 3.692 . 0 0 "[ . 1 . 2]" 1
42 1 7 THR HB 1 8 ALA H . . 3.050 2.350 2.160 2.543 . 0 0 "[ . 1 . 2]" 1
43 1 7 THR HB 1 29 ILE MG . . 3.200 2.795 2.658 2.901 . 0 0 "[ . 1 . 2]" 1
44 1 7 THR HB 1 32 ILE H . . 4.990 4.763 4.589 4.991 0.001 7 0 "[ . 1 . 2]" 1
45 1 7 THR MG 1 8 ALA H . . 3.610 3.567 3.519 3.609 . 0 0 "[ . 1 . 2]" 1
46 1 7 THR MG 1 29 ILE MG . . 3.690 3.647 3.524 3.692 0.002 11 0 "[ . 1 . 2]" 1
47 1 7 THR MG 1 31 LYS HA . . 3.180 2.050 1.971 2.390 . 0 0 "[ . 1 . 2]" 1
48 1 7 THR MG 1 31 LYS HB2 . . 4.110 3.089 2.706 3.291 . 0 0 "[ . 1 . 2]" 1
49 1 7 THR MG 1 31 LYS HB3 . . 4.550 4.320 4.006 4.515 . 0 0 "[ . 1 . 2]" 1
50 1 7 THR MG 1 31 LYS QD . . 4.250 2.257 2.115 2.395 . 0 0 "[ . 1 . 2]" 1
51 1 7 THR MG 1 31 LYS QE . . 4.080 3.860 3.479 4.080 . 0 0 "[ . 1 . 2]" 1
52 1 7 THR MG 1 32 ILE H . . 4.060 3.116 2.935 3.387 . 0 0 "[ . 1 . 2]" 1
53 1 8 ALA H 1 8 ALA MB . . 3.380 2.579 2.484 2.645 . 0 0 "[ . 1 . 2]" 1
54 1 8 ALA H 1 9 LYS H . . 4.740 3.968 3.817 4.156 . 0 0 "[ . 1 . 2]" 1
55 1 8 ALA H 1 29 ILE MG . . 3.680 3.662 3.484 3.682 0.002 5 0 "[ . 1 . 2]" 1
56 1 8 ALA H 1 30 ILE MD . . 4.970 4.267 3.969 4.532 . 0 0 "[ . 1 . 2]" 1
57 1 8 ALA H 1 30 ILE MG . . 4.200 3.581 3.403 3.800 . 0 0 "[ . 1 . 2]" 1
58 1 8 ALA H 1 31 LYS H . . 5.000 4.716 4.543 4.789 . 0 0 "[ . 1 . 2]" 1
59 1 8 ALA H 1 31 LYS HA . . 4.100 3.985 3.837 4.096 . 0 0 "[ . 1 . 2]" 1
60 1 8 ALA H 1 32 ILE H . . 4.460 4.322 4.074 4.460 . 0 0 "[ . 1 . 2]" 1
61 1 8 ALA H 1 32 ILE MD . . 4.800 3.789 3.399 4.213 . 0 0 "[ . 1 . 2]" 1
62 1 8 ALA HA 1 9 LYS H . . 2.960 2.199 2.186 2.218 . 0 0 "[ . 1 . 2]" 1
63 1 8 ALA HA 1 30 ILE HB . . 4.880 4.594 4.371 4.871 . 0 0 "[ . 1 . 2]" 1
64 1 8 ALA HA 1 58 VAL HB . . 4.560 4.161 3.808 4.481 . 0 0 "[ . 1 . 2]" 1
65 1 8 ALA HA 1 60 GLU HA . . 3.570 2.662 2.061 3.075 . 0 0 "[ . 1 . 2]" 1
66 1 8 ALA HA 1 60 GLU QB . . 5.150 4.009 2.561 5.030 . 0 0 "[ . 1 . 2]" 1
67 1 8 ALA HA 1 60 GLU QG . . 5.090 3.826 3.133 4.430 . 0 0 "[ . 1 . 2]" 1
68 1 8 ALA HA 1 61 ASP H . . 4.560 4.414 4.121 4.562 0.002 20 0 "[ . 1 . 2]" 1
69 1 8 ALA HA 1 62 TYR QD . . 4.000 3.356 3.205 3.701 . 0 0 "[ . 1 . 2]" 1
70 1 8 ALA HA 1 62 TYR QE . . 3.960 2.440 2.120 2.876 . 0 0 "[ . 1 . 2]" 1
71 1 8 ALA MB 1 9 LYS H . . 3.670 3.444 3.277 3.533 . 0 0 "[ . 1 . 2]" 1
72 1 8 ALA MB 1 30 ILE MD . . 4.000 3.617 3.360 3.991 . 0 0 "[ . 1 . 2]" 1
73 1 8 ALA MB 1 32 ILE MD . . 3.270 1.912 1.732 2.228 . 0 0 "[ . 1 . 2]" 1
74 1 8 ALA MB 1 42 TRP HE3 . . 4.500 3.366 3.018 3.718 . 0 0 "[ . 1 . 2]" 1
75 1 8 ALA MB 1 53 PHE QE . . 4.490 2.764 2.479 3.197 . 0 0 "[ . 1 . 2]" 1
76 1 8 ALA MB 1 53 PHE HZ . . 4.370 3.121 2.781 3.490 . 0 0 "[ . 1 . 2]" 1
77 1 8 ALA MB 1 58 VAL HA . . 4.670 4.170 3.981 4.360 . 0 0 "[ . 1 . 2]" 1
78 1 8 ALA MB 1 58 VAL HB . . 3.370 2.092 1.959 2.349 . 0 0 "[ . 1 . 2]" 1
79 1 8 ALA MB 1 58 VAL MG1 . . 3.640 3.174 2.897 3.417 . 0 0 "[ . 1 . 2]" 1
80 1 8 ALA MB 1 58 VAL MG2 . . 3.170 2.105 1.910 2.374 . 0 0 "[ . 1 . 2]" 1
81 1 8 ALA MB 1 59 GLU H . . 3.720 2.945 2.484 3.648 . 0 0 "[ . 1 . 2]" 1
82 1 8 ALA MB 1 60 GLU H . . 5.180 4.493 3.650 4.998 . 0 0 "[ . 1 . 2]" 1
83 1 8 ALA MB 1 60 GLU HA . . 3.670 3.396 3.064 3.656 . 0 0 "[ . 1 . 2]" 1
84 1 8 ALA MB 1 60 GLU HG2 . . 4.250 3.412 2.491 4.195 . 0 0 "[ . 1 . 2]" 1
85 1 8 ALA MB 1 60 GLU QG . . 3.540 2.837 2.307 3.462 . 0 0 "[ . 1 . 2]" 1
86 1 8 ALA MB 1 60 GLU HG3 . . 4.250 3.382 2.327 4.141 . 0 0 "[ . 1 . 2]" 1
87 1 8 ALA MB 1 61 ASP H . . 5.120 4.971 4.554 5.125 0.005 19 0 "[ . 1 . 2]" 1
88 1 9 LYS H 1 9 LYS HB2 . . 3.440 2.255 2.073 2.484 . 0 0 "[ . 1 . 2]" 1
89 1 9 LYS H 1 9 LYS HB3 . . 3.440 2.811 2.459 3.365 . 0 0 "[ . 1 . 2]" 1
90 1 9 LYS H 1 9 LYS QG . . 4.030 3.805 3.065 3.929 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS H 1 10 ALA H . . 4.690 4.525 4.456 4.639 . 0 0 "[ . 1 . 2]" 1
92 1 9 LYS H 1 58 VAL HB . . 4.640 4.403 3.850 4.642 0.002 20 0 "[ . 1 . 2]" 1
93 1 9 LYS H 1 59 GLU H . . 3.470 3.072 2.874 3.243 . 0 0 "[ . 1 . 2]" 1
94 1 9 LYS H 1 59 GLU HB2 . . 3.970 3.100 2.360 3.765 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS H 1 59 GLU HB3 . . 4.950 4.099 3.197 4.943 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS H 1 59 GLU QG . . 5.340 4.824 4.237 5.277 . 0 0 "[ . 1 . 2]" 1
97 1 9 LYS H 1 60 GLU HA . . 4.360 3.865 3.192 4.361 0.001 20 0 "[ . 1 . 2]" 1
98 1 9 LYS H 1 62 TYR QB . . 4.600 4.505 4.337 4.609 0.009 17 0 "[ . 1 . 2]" 1
99 1 9 LYS H 1 62 TYR QD . . 4.210 2.789 2.461 2.968 . 0 0 "[ . 1 . 2]" 1
100 1 9 LYS H 1 62 TYR QE . . 4.430 1.975 1.946 2.085 . 0 0 "[ . 1 . 2]" 1
101 1 9 LYS HA 1 9 LYS QD . . 4.010 3.777 3.598 4.007 . 0 0 "[ . 1 . 2]" 1
102 1 9 LYS HA 1 9 LYS QG . . 3.410 2.127 2.029 2.365 . 0 0 "[ . 1 . 2]" 1
103 1 9 LYS HA 1 10 ALA H . . 2.890 2.210 2.176 2.489 . 0 0 "[ . 1 . 2]" 1
104 1 9 LYS HA 1 10 ALA HA . . 4.450 4.353 4.329 4.372 . 0 0 "[ . 1 . 2]" 1
105 1 9 LYS HA 1 10 ALA MB . . 4.240 3.930 3.899 3.960 . 0 0 "[ . 1 . 2]" 1
106 1 9 LYS HA 1 29 ILE HA . . 3.620 2.023 1.999 2.086 . 0 0 "[ . 1 . 2]" 1
107 1 9 LYS HA 1 29 ILE MD . . 4.090 4.089 4.016 4.096 0.006 20 0 "[ . 1 . 2]" 1
108 1 9 LYS HA 1 29 ILE MG . . 4.140 2.640 2.497 2.763 . 0 0 "[ . 1 . 2]" 1
109 1 9 LYS HA 1 30 ILE H . . 3.990 3.292 3.098 3.459 . 0 0 "[ . 1 . 2]" 1
110 1 9 LYS HA 1 30 ILE MD . . 4.360 3.467 3.328 3.629 . 0 0 "[ . 1 . 2]" 1
111 1 9 LYS QB 1 9 LYS QE . . 3.360 3.273 2.451 3.364 0.004 15 0 "[ . 1 . 2]" 1
112 1 9 LYS QB 1 10 ALA H . . 4.040 3.722 2.577 3.890 . 0 0 "[ . 1 . 2]" 1
113 1 9 LYS QB 1 59 GLU H . . 4.940 3.726 3.201 4.098 . 0 0 "[ . 1 . 2]" 1
114 1 9 LYS HB2 1 10 ALA H . . 4.760 4.465 3.986 4.606 . 0 0 "[ . 1 . 2]" 1
115 1 9 LYS HB3 1 10 ALA H . . 4.760 4.018 2.610 4.263 . 0 0 "[ . 1 . 2]" 1
116 1 9 LYS QD 1 27 GLY QA . . 4.840 4.564 4.042 4.841 0.001 7 0 "[ . 1 . 2]" 1
117 1 9 LYS QD 1 62 TYR HB2 . . 5.410 4.623 4.067 4.892 . 0 0 "[ . 1 . 2]" 1
118 1 9 LYS QD 1 62 TYR QB . . 4.580 4.299 3.770 4.550 . 0 0 "[ . 1 . 2]" 1
119 1 9 LYS QD 1 62 TYR HB3 . . 5.410 5.116 4.457 5.411 0.001 10 0 "[ . 1 . 2]" 1
120 1 9 LYS QE 1 10 ALA H . . 5.260 4.923 3.510 5.262 0.002 20 0 "[ . 1 . 2]" 1
121 1 9 LYS QE 1 27 GLY QA . . 3.900 2.619 1.980 2.927 . 0 0 "[ . 1 . 2]" 1
122 1 9 LYS QE 1 29 ILE MD . . 3.750 3.689 3.363 3.752 0.002 10 0 "[ . 1 . 2]" 1
123 1 9 LYS HE2 1 27 GLY H . . 4.570 4.183 3.156 4.571 0.001 12 0 "[ . 1 . 2]" 1
124 1 9 LYS HE3 1 27 GLY H . . 4.570 4.506 4.341 4.572 0.002 10 0 "[ . 1 . 2]" 1
125 1 9 LYS QG 1 10 ALA H . . 3.410 3.010 2.622 3.198 . 0 0 "[ . 1 . 2]" 1
126 1 9 LYS QG 1 10 ALA HA . . 5.500 4.865 4.231 5.491 . 0 0 "[ . 1 . 2]" 1
127 1 9 LYS QG 1 27 GLY H . . 4.920 3.589 3.210 4.863 . 0 0 "[ . 1 . 2]" 1
128 1 9 LYS QG 1 27 GLY QA . . 4.550 3.510 3.174 4.418 . 0 0 "[ . 1 . 2]" 1
129 1 9 LYS QG 1 28 ASP H . . 4.610 3.767 3.375 4.155 . 0 0 "[ . 1 . 2]" 1
130 1 9 LYS QG 1 29 ILE MD . . 3.700 3.139 2.985 3.588 . 0 0 "[ . 1 . 2]" 1
131 1 9 LYS QG 1 30 ILE H . . 5.040 4.805 4.411 5.045 0.005 11 0 "[ . 1 . 2]" 1
132 1 10 ALA H 1 10 ALA MB . . 3.020 2.107 2.034 2.188 . 0 0 "[ . 1 . 2]" 1
133 1 10 ALA H 1 11 ARG H . . 4.730 4.582 4.347 4.647 . 0 0 "[ . 1 . 2]" 1
134 1 10 ALA H 1 27 GLY H . . 4.470 4.240 3.410 4.471 0.001 10 0 "[ . 1 . 2]" 1
135 1 10 ALA H 1 28 ASP H . . 3.940 3.439 2.731 3.821 . 0 0 "[ . 1 . 2]" 1
136 1 10 ALA H 1 28 ASP HB2 . . 4.680 3.857 3.614 4.125 . 0 0 "[ . 1 . 2]" 1
137 1 10 ALA H 1 28 ASP HB3 . . 5.370 4.808 4.530 5.291 . 0 0 "[ . 1 . 2]" 1
138 1 10 ALA H 1 29 ILE HA . . 4.130 3.154 2.946 3.799 . 0 0 "[ . 1 . 2]" 1
139 1 10 ALA H 1 29 ILE MD . . 5.120 4.857 4.755 4.973 . 0 0 "[ . 1 . 2]" 1
140 1 10 ALA H 1 30 ILE MD . . 4.000 2.743 2.487 3.661 . 0 0 "[ . 1 . 2]" 1
141 1 10 ALA H 1 58 VAL HB . . 5.370 4.710 4.428 5.203 . 0 0 "[ . 1 . 2]" 1
142 1 10 ALA H 1 58 VAL MG1 . . 4.730 4.137 3.647 4.731 0.001 7 0 "[ . 1 . 2]" 1
143 1 10 ALA HA 1 11 ARG H . . 3.030 2.221 2.187 2.276 . 0 0 "[ . 1 . 2]" 1
144 1 10 ALA HA 1 12 TYR H . . 3.620 3.500 3.326 3.619 . 0 0 "[ . 1 . 2]" 1
145 1 10 ALA HA 1 30 ILE MD . . 4.180 3.108 2.917 3.306 . 0 0 "[ . 1 . 2]" 1
146 1 10 ALA HA 1 58 VAL HA . . 3.110 2.283 2.020 2.573 . 0 0 "[ . 1 . 2]" 1
147 1 10 ALA HA 1 58 VAL HB . . 4.440 3.268 2.971 3.609 . 0 0 "[ . 1 . 2]" 1
148 1 10 ALA HA 1 58 VAL MG1 . . 3.290 2.158 1.935 2.479 . 0 0 "[ . 1 . 2]" 1
149 1 10 ALA HA 1 58 VAL MG2 . . 4.900 4.465 4.289 4.616 . 0 0 "[ . 1 . 2]" 1
150 1 10 ALA HA 1 59 GLU H . . 3.950 3.714 3.482 3.951 0.001 7 0 "[ . 1 . 2]" 1
151 1 10 ALA MB 1 11 ARG H . . 3.690 3.120 2.914 3.370 . 0 0 "[ . 1 . 2]" 1
152 1 10 ALA MB 1 11 ARG HB2 . . 5.500 5.111 4.991 5.293 . 0 0 "[ . 1 . 2]" 1
153 1 10 ALA MB 1 11 ARG QG . . 5.340 4.744 4.577 4.961 . 0 0 "[ . 1 . 2]" 1
154 1 10 ALA MB 1 12 TYR H . . 3.710 2.769 2.661 2.993 . 0 0 "[ . 1 . 2]" 1
155 1 10 ALA MB 1 24 LEU HB2 . . 4.610 3.965 3.653 4.604 . 0 0 "[ . 1 . 2]" 1
156 1 10 ALA MB 1 24 LEU QB . . 3.740 2.614 2.085 3.561 . 0 0 "[ . 1 . 2]" 1
157 1 10 ALA MB 1 24 LEU HB3 . . 4.610 2.663 2.097 3.752 . 0 0 "[ . 1 . 2]" 1
158 1 10 ALA MB 1 24 LEU MD1 . . 3.560 3.420 2.646 3.561 0.001 7 0 "[ . 1 . 2]" 1
159 1 10 ALA MB 1 24 LEU MD2 . . 3.400 2.979 2.273 3.356 . 0 0 "[ . 1 . 2]" 1
160 1 10 ALA MB 1 25 LYS H . . 4.630 2.490 2.240 2.729 . 0 0 "[ . 1 . 2]" 1
161 1 10 ALA MB 1 26 GLU HA . . 3.490 2.642 2.197 2.894 . 0 0 "[ . 1 . 2]" 1
162 1 10 ALA MB 1 27 GLY H . . 3.700 3.556 3.229 3.701 0.001 15 0 "[ . 1 . 2]" 1
163 1 10 ALA MB 1 28 ASP H . . 3.150 2.744 2.317 3.122 . 0 0 "[ . 1 . 2]" 1
164 1 10 ALA MB 1 28 ASP HB2 . . 3.720 2.723 2.481 3.074 . 0 0 "[ . 1 . 2]" 1
165 1 10 ALA MB 1 28 ASP HB3 . . 4.460 4.044 3.781 4.265 . 0 0 "[ . 1 . 2]" 1
166 1 10 ALA MB 1 30 ILE MD . . 3.260 1.943 1.805 2.339 . 0 0 "[ . 1 . 2]" 1
167 1 10 ALA MB 1 58 VAL HA . . 4.370 3.934 3.707 4.201 . 0 0 "[ . 1 . 2]" 1
168 1 10 ALA MB 1 58 VAL MG1 . . 3.480 2.739 2.490 3.126 . 0 0 "[ . 1 . 2]" 1
169 1 11 ARG H 1 11 ARG HB2 . . 3.440 2.418 2.314 2.567 . 0 0 "[ . 1 . 2]" 1
170 1 11 ARG H 1 11 ARG HB3 . . 3.940 3.616 3.520 3.708 . 0 0 "[ . 1 . 2]" 1
171 1 11 ARG H 1 11 ARG QD . . 4.780 4.108 3.411 4.556 . 0 0 "[ . 1 . 2]" 1
172 1 11 ARG H 1 11 ARG HG2 . . 4.150 2.920 2.598 3.315 . 0 0 "[ . 1 . 2]" 1
173 1 11 ARG H 1 11 ARG QG . . 3.570 2.849 2.538 3.190 . 0 0 "[ . 1 . 2]" 1
174 1 11 ARG H 1 11 ARG HG3 . . 4.150 3.998 3.560 4.150 . 0 0 "[ . 1 . 2]" 1
175 1 11 ARG H 1 12 TYR H . . 3.030 2.146 1.959 2.329 . 0 0 "[ . 1 . 2]" 1
176 1 11 ARG H 1 24 LEU MD2 . . 4.600 4.406 3.504 4.601 0.001 13 0 "[ . 1 . 2]" 1
177 1 11 ARG H 1 26 GLU HA . . 4.800 4.600 4.334 4.794 . 0 0 "[ . 1 . 2]" 1
178 1 11 ARG H 1 58 VAL H . . 4.780 4.568 4.278 4.711 . 0 0 "[ . 1 . 2]" 1
179 1 11 ARG H 1 58 VAL HA . . 3.370 2.445 2.211 2.647 . 0 0 "[ . 1 . 2]" 1
180 1 11 ARG H 1 58 VAL HB . . 4.780 4.625 4.268 4.781 0.001 11 0 "[ . 1 . 2]" 1
181 1 11 ARG H 1 58 VAL MG1 . . 3.860 3.264 2.920 3.389 . 0 0 "[ . 1 . 2]" 1
182 1 11 ARG H 1 58 VAL MG2 . . 5.250 5.086 4.949 5.250 0.000 12 0 "[ . 1 . 2]" 1
183 1 11 ARG H 1 59 GLU H . . 4.590 4.493 4.116 4.590 0.000 1 0 "[ . 1 . 2]" 1
184 1 11 ARG HA 1 11 ARG HB3 . . 2.960 2.599 2.525 2.707 . 0 0 "[ . 1 . 2]" 1
185 1 11 ARG HA 1 11 ARG QD . . 3.520 2.185 1.886 2.693 . 0 0 "[ . 1 . 2]" 1
186 1 11 ARG HA 1 11 ARG HG2 . . 3.970 2.831 2.541 3.221 . 0 0 "[ . 1 . 2]" 1
187 1 11 ARG HA 1 11 ARG QG . . 3.420 2.740 2.495 3.020 . 0 0 "[ . 1 . 2]" 1
188 1 11 ARG HA 1 11 ARG HG3 . . 3.970 3.703 3.635 3.775 . 0 0 "[ . 1 . 2]" 1
189 1 11 ARG HA 1 26 GLU HA . . 4.320 3.732 3.386 4.037 . 0 0 "[ . 1 . 2]" 1
190 1 11 ARG HA 1 26 GLU HG2 . . 3.660 2.835 2.439 3.129 . 0 0 "[ . 1 . 2]" 1
191 1 11 ARG HA 1 26 GLU HG3 . . 4.590 3.718 3.349 4.070 . 0 0 "[ . 1 . 2]" 1
192 1 11 ARG HA 1 27 GLY H . . 4.460 4.103 3.787 4.411 . 0 0 "[ . 1 . 2]" 1
193 1 11 ARG HA 1 58 VAL HA . . 5.130 4.870 4.682 5.046 . 0 0 "[ . 1 . 2]" 1
194 1 11 ARG HB2 1 11 ARG QD . . 3.920 3.463 3.323 3.618 . 0 0 "[ . 1 . 2]" 1
195 1 11 ARG HB2 1 12 TYR H . . 3.840 3.581 3.504 3.777 . 0 0 "[ . 1 . 2]" 1
196 1 11 ARG HB2 1 57 TYR HA . . 4.710 3.630 3.308 4.048 . 0 0 "[ . 1 . 2]" 1
197 1 11 ARG HB2 1 58 VAL HA . . 4.410 3.596 3.218 4.052 . 0 0 "[ . 1 . 2]" 1
198 1 11 ARG HB3 1 11 ARG QD . . 3.280 2.604 2.263 3.112 . 0 0 "[ . 1 . 2]" 1
199 1 11 ARG HB3 1 12 TYR H . . 4.430 4.248 4.048 4.367 . 0 0 "[ . 1 . 2]" 1
200 1 11 ARG HB3 1 12 TYR QD . . 4.420 3.361 3.041 3.700 . 0 0 "[ . 1 . 2]" 1
201 1 11 ARG HB3 1 57 TYR HA . . 5.410 5.014 4.568 5.402 . 0 0 "[ . 1 . 2]" 1
202 1 11 ARG QD 1 12 TYR H . . 5.500 5.071 4.557 5.444 . 0 0 "[ . 1 . 2]" 1
203 1 11 ARG QD 1 12 TYR QE . . 4.950 4.894 4.628 4.950 0.000 5 0 "[ . 1 . 2]" 1
204 1 11 ARG QD 1 59 GLU HB2 . . 4.570 3.977 3.526 4.571 0.001 19 0 "[ . 1 . 2]" 1
205 1 11 ARG QD 1 59 GLU HB3 . . 5.240 4.876 4.470 5.239 . 0 0 "[ . 1 . 2]" 1
206 1 11 ARG QD 1 59 GLU QG . . 3.980 2.811 1.963 3.588 . 0 0 "[ . 1 . 2]" 1
207 1 11 ARG QG 1 58 VAL HA . . 3.970 3.172 2.848 3.571 . 0 0 "[ . 1 . 2]" 1
208 1 11 ARG QG 1 59 GLU H . . 3.710 3.558 3.124 3.711 0.001 15 0 "[ . 1 . 2]" 1
209 1 11 ARG QG 1 59 GLU HB2 . . 4.270 3.243 2.887 3.635 . 0 0 "[ . 1 . 2]" 1
210 1 11 ARG QG 1 59 GLU QG . . 3.810 1.821 1.660 1.956 . 0 0 "[ . 1 . 2]" 1
211 1 11 ARG HG2 1 58 VAL HA . . 4.580 3.283 2.901 3.826 . 0 0 "[ . 1 . 2]" 1
212 1 11 ARG HG3 1 58 VAL HA . . 4.580 4.282 3.970 4.578 . 0 0 "[ . 1 . 2]" 1
213 1 12 TYR H 1 12 TYR HB2 . . 3.600 2.788 2.622 2.910 . 0 0 "[ . 1 . 2]" 1
214 1 12 TYR H 1 12 TYR HB3 . . 4.120 3.839 3.746 3.902 . 0 0 "[ . 1 . 2]" 1
215 1 12 TYR H 1 12 TYR QD . . 4.370 2.947 2.512 3.304 . 0 0 "[ . 1 . 2]" 1
216 1 12 TYR H 1 13 ASP H . . 4.370 4.193 4.118 4.315 . 0 0 "[ . 1 . 2]" 1
217 1 12 TYR H 1 24 LEU MD2 . . 4.700 4.289 3.259 4.695 . 0 0 "[ . 1 . 2]" 1
218 1 12 TYR H 1 26 GLU H . . 5.190 4.510 4.211 4.728 . 0 0 "[ . 1 . 2]" 1
219 1 12 TYR H 1 26 GLU HA . . 4.380 3.724 3.599 3.811 . 0 0 "[ . 1 . 2]" 1
220 1 12 TYR H 1 26 GLU HB3 . . 5.500 5.437 5.235 5.502 0.002 5 0 "[ . 1 . 2]" 1
221 1 12 TYR H 1 26 GLU HG2 . . 5.020 3.600 3.363 3.769 . 0 0 "[ . 1 . 2]" 1
222 1 12 TYR H 1 27 GLY H . . 5.500 5.483 5.439 5.503 0.003 19 0 "[ . 1 . 2]" 1
223 1 12 TYR H 1 57 TYR HA . . 4.830 4.735 4.313 4.832 0.002 13 0 "[ . 1 . 2]" 1
224 1 12 TYR H 1 58 VAL HA . . 4.620 4.394 4.173 4.554 . 0 0 "[ . 1 . 2]" 1
225 1 12 TYR H 1 58 VAL MG1 . . 4.260 4.169 3.916 4.261 0.001 2 0 "[ . 1 . 2]" 1
226 1 12 TYR HA 1 12 TYR QD . . 4.070 3.073 2.826 3.243 . 0 0 "[ . 1 . 2]" 1
227 1 12 TYR HA 1 13 ASP H . . 2.970 2.212 2.200 2.249 . 0 0 "[ . 1 . 2]" 1
228 1 12 TYR HA 1 26 GLU HB2 . . 4.600 4.389 4.143 4.600 . 0 0 "[ . 1 . 2]" 1
229 1 12 TYR HA 1 26 GLU HB3 . . 5.200 4.820 4.599 5.157 . 0 0 "[ . 1 . 2]" 1
230 1 12 TYR HA 1 26 GLU HG2 . . 4.630 2.991 2.641 3.445 . 0 0 "[ . 1 . 2]" 1
231 1 12 TYR HB2 1 13 ASP H . . 4.300 4.199 4.028 4.292 . 0 0 "[ . 1 . 2]" 1
232 1 12 TYR HB2 1 57 TYR QD . . 4.380 2.247 2.003 2.702 . 0 0 "[ . 1 . 2]" 1
233 1 12 TYR HB2 1 57 TYR QE . . 4.410 4.019 3.786 4.321 . 0 0 "[ . 1 . 2]" 1
234 1 12 TYR HB3 1 13 ASP H . . 3.440 3.379 3.197 3.441 0.001 12 0 "[ . 1 . 2]" 1
235 1 12 TYR HB3 1 57 TYR QD . . 4.320 3.098 2.323 3.662 . 0 0 "[ . 1 . 2]" 1
236 1 12 TYR HB3 1 57 TYR QE . . 4.300 3.827 3.216 4.184 . 0 0 "[ . 1 . 2]" 1
237 1 12 TYR QD 1 13 ASP H . . 4.650 4.452 4.213 4.646 . 0 0 "[ . 1 . 2]" 1
238 1 12 TYR QD 1 57 TYR H . . 4.930 4.866 4.768 4.930 0.000 19 0 "[ . 1 . 2]" 1
239 1 12 TYR QD 1 57 TYR HA . . 3.670 2.210 2.044 2.341 . 0 0 "[ . 1 . 2]" 1
240 1 12 TYR QE 1 57 TYR HA . . 4.180 3.000 2.654 3.674 . 0 0 "[ . 1 . 2]" 1
241 1 13 ASP H 1 13 ASP HB2 . . 3.650 3.119 2.190 3.551 . 0 0 "[ . 1 . 2]" 1
242 1 13 ASP H 1 13 ASP QB . . 2.950 2.446 2.099 2.723 . 0 0 "[ . 1 . 2]" 1
243 1 13 ASP H 1 13 ASP HB3 . . 3.650 2.764 2.170 3.503 . 0 0 "[ . 1 . 2]" 1
244 1 13 ASP H 1 14 PHE H . . 4.570 4.433 4.270 4.564 . 0 0 "[ . 1 . 2]" 1
245 1 13 ASP H 1 26 GLU H . . 4.360 3.360 3.033 4.061 . 0 0 "[ . 1 . 2]" 1
246 1 13 ASP H 1 26 GLU HB2 . . 4.290 3.850 3.659 4.279 . 0 0 "[ . 1 . 2]" 1
247 1 13 ASP H 1 26 GLU HB3 . . 5.480 5.031 4.798 5.479 . 0 0 "[ . 1 . 2]" 1
248 1 13 ASP H 1 26 GLU HG2 . . 4.650 4.133 3.783 4.635 . 0 0 "[ . 1 . 2]" 1
249 1 13 ASP H 1 26 GLU HG3 . . 4.450 2.809 2.372 3.442 . 0 0 "[ . 1 . 2]" 1
250 1 13 ASP HA 1 14 PHE H . . 3.050 2.268 2.252 2.306 . 0 0 "[ . 1 . 2]" 1
251 1 13 ASP HA 1 25 LYS HA . . 4.600 2.214 2.036 2.607 . 0 0 "[ . 1 . 2]" 1
252 1 13 ASP QB 1 14 PHE H . . 4.310 3.596 3.257 3.967 . 0 0 "[ . 1 . 2]" 1
253 1 13 ASP HB2 1 26 GLU H . . 4.790 3.780 2.293 4.658 . 0 0 "[ . 1 . 2]" 1
254 1 13 ASP HB3 1 26 GLU H . . 4.790 3.274 2.330 4.605 . 0 0 "[ . 1 . 2]" 1
255 1 14 PHE H 1 14 PHE HB2 . . 4.100 2.363 2.147 2.677 . 0 0 "[ . 1 . 2]" 1
256 1 14 PHE H 1 14 PHE QB . . 3.370 2.216 2.064 2.439 . 0 0 "[ . 1 . 2]" 1
257 1 14 PHE H 1 14 PHE HB3 . . 4.100 2.699 2.639 2.810 . 0 0 "[ . 1 . 2]" 1
258 1 14 PHE H 1 14 PHE QD . . 4.510 4.083 3.964 4.228 . 0 0 "[ . 1 . 2]" 1
259 1 14 PHE H 1 15 CYS H . . 4.960 4.405 4.174 4.567 . 0 0 "[ . 1 . 2]" 1
260 1 14 PHE H 1 24 LEU H . . 4.170 3.270 2.772 4.113 . 0 0 "[ . 1 . 2]" 1
261 1 14 PHE H 1 24 LEU HB2 . . 4.060 2.727 2.111 3.697 . 0 0 "[ . 1 . 2]" 1
262 1 14 PHE H 1 24 LEU QB . . 3.410 2.278 2.019 2.755 . 0 0 "[ . 1 . 2]" 1
263 1 14 PHE H 1 24 LEU HB3 . . 4.060 2.656 2.229 2.907 . 0 0 "[ . 1 . 2]" 1
264 1 14 PHE H 1 24 LEU MD2 . . 4.650 3.986 3.565 4.614 . 0 0 "[ . 1 . 2]" 1
265 1 14 PHE H 1 25 LYS HA . . 4.240 3.457 2.837 3.774 . 0 0 "[ . 1 . 2]" 1
266 1 14 PHE H 1 25 LYS QG . . 5.090 4.879 3.579 5.088 . 0 0 "[ . 1 . 2]" 1
267 1 14 PHE H 1 26 GLU H . . 4.780 4.487 3.823 4.782 0.002 11 0 "[ . 1 . 2]" 1
268 1 14 PHE HA 1 14 PHE QD . . 4.220 2.019 1.998 2.288 . 0 0 "[ . 1 . 2]" 1
269 1 14 PHE HA 1 15 CYS H . . 3.430 2.299 2.194 2.631 . 0 0 "[ . 1 . 2]" 1
270 1 14 PHE QB 1 15 CYS H . . 3.910 3.636 2.904 3.910 0.000 12 0 "[ . 1 . 2]" 1
271 1 14 PHE QB 1 24 LEU H . . 3.770 2.253 1.939 2.813 . 0 0 "[ . 1 . 2]" 1
272 1 14 PHE QB 1 24 LEU MD1 . . 4.360 3.396 3.122 3.690 . 0 0 "[ . 1 . 2]" 1
273 1 14 PHE QB 1 24 LEU MD2 . . 3.890 2.483 2.176 3.026 . 0 0 "[ . 1 . 2]" 1
274 1 14 PHE QB 1 24 LEU HG . . 4.120 4.096 3.925 4.124 0.004 5 0 "[ . 1 . 2]" 1
275 1 14 PHE HB2 1 15 CYS H . . 4.670 4.431 3.900 4.635 . 0 0 "[ . 1 . 2]" 1
276 1 14 PHE HB2 1 24 LEU H . . 4.590 3.607 3.383 4.407 . 0 0 "[ . 1 . 2]" 1
277 1 14 PHE HB2 1 24 LEU HG . . 4.900 4.472 4.384 4.552 . 0 0 "[ . 1 . 2]" 1
278 1 14 PHE HB3 1 15 CYS H . . 4.670 3.879 2.996 4.213 . 0 0 "[ . 1 . 2]" 1
279 1 14 PHE HB3 1 24 LEU H . . 4.590 2.277 1.950 2.846 . 0 0 "[ . 1 . 2]" 1
280 1 14 PHE HB3 1 24 LEU HG . . 4.900 4.762 4.404 4.906 0.006 10 0 "[ . 1 . 2]" 1
281 1 14 PHE QD 1 15 CYS H . . 4.710 3.379 2.984 3.616 . 0 0 "[ . 1 . 2]" 1
282 1 14 PHE QD 1 22 LEU H . . 5.110 4.077 3.500 5.100 . 0 0 "[ . 1 . 2]" 1
283 1 14 PHE QD 1 24 LEU H . . 4.350 3.630 2.498 4.112 . 0 0 "[ . 1 . 2]" 1
284 1 14 PHE QD 1 54 PRO HD2 . . 4.910 3.839 3.028 4.645 . 0 0 "[ . 1 . 2]" 1
285 1 14 PHE QE 1 22 LEU H . . 5.480 4.328 3.555 5.481 0.001 20 0 "[ . 1 . 2]" 1
286 1 14 PHE QE 1 53 PHE HA . . 4.760 3.342 3.032 3.615 . 0 0 "[ . 1 . 2]" 1
287 1 14 PHE QE 1 54 PRO HD2 . . 5.270 3.799 3.184 4.182 . 0 0 "[ . 1 . 2]" 1
288 1 15 CYS H 1 15 CYS HB2 . . 3.870 2.757 2.265 3.871 0.001 7 0 "[ . 1 . 2]" 1
289 1 15 CYS H 1 15 CYS QB . . 3.310 2.532 2.238 3.306 . 0 0 "[ . 1 . 2]" 1
290 1 15 CYS H 1 15 CYS HB3 . . 3.870 3.246 2.343 3.862 . 0 0 "[ . 1 . 2]" 1
291 1 15 CYS H 1 24 LEU H . . 5.450 5.011 4.313 5.329 . 0 0 "[ . 1 . 2]" 1
292 1 15 CYS HA 1 16 ALA H . . 2.860 2.242 2.221 2.316 . 0 0 "[ . 1 . 2]" 1
293 1 15 CYS HA 1 16 ALA HA . . 4.600 4.423 4.378 4.496 . 0 0 "[ . 1 . 2]" 1
294 1 15 CYS HA 1 16 ALA MB . . 4.570 3.982 3.940 4.013 . 0 0 "[ . 1 . 2]" 1
295 1 15 CYS HA 1 23 SER HA . . 4.120 4.067 3.870 4.121 0.001 1 0 "[ . 1 . 2]" 1
296 1 15 CYS HA 1 24 LEU H . . 4.560 4.406 3.991 4.562 0.002 20 0 "[ . 1 . 2]" 1
297 1 15 CYS QB 1 16 ALA H . . 4.040 3.649 2.913 4.036 . 0 0 "[ . 1 . 2]" 1
298 1 16 ALA H 1 16 ALA MB . . 3.220 2.145 2.041 2.241 . 0 0 "[ . 1 . 2]" 1
299 1 16 ALA H 1 17 ARG H . . 4.640 4.454 4.201 4.627 . 0 0 "[ . 1 . 2]" 1
300 1 16 ALA H 1 21 GLU HB3 . . 5.480 4.733 4.333 5.134 . 0 0 "[ . 1 . 2]" 1
301 1 16 ALA H 1 23 SER HA . . 3.590 3.061 2.772 3.426 . 0 0 "[ . 1 . 2]" 1
302 1 16 ALA H 1 23 SER QB . . 4.800 3.964 3.210 4.801 0.001 14 0 "[ . 1 . 2]" 1
303 1 16 ALA H 1 24 LEU H . . 4.920 4.383 3.697 4.884 . 0 0 "[ . 1 . 2]" 1
304 1 16 ALA HA 1 17 ARG H . . 3.050 2.225 2.187 2.263 . 0 0 "[ . 1 . 2]" 1
305 1 16 ALA HA 1 17 ARG HA . . 4.410 4.356 4.309 4.409 . 0 0 "[ . 1 . 2]" 1
306 1 16 ALA HA 1 17 ARG QB . . 4.860 4.502 4.211 4.667 . 0 0 "[ . 1 . 2]" 1
307 1 16 ALA HA 1 17 ARG QG . . 4.550 3.630 3.145 4.108 . 0 0 "[ . 1 . 2]" 1
308 1 16 ALA HA 1 18 ASP H . . 3.600 3.488 3.340 3.602 0.002 12 0 "[ . 1 . 2]" 1
309 1 16 ALA HA 1 21 GLU HB2 . . 3.840 3.607 3.303 3.841 0.001 20 0 "[ . 1 . 2]" 1
310 1 16 ALA HA 1 21 GLU HB3 . . 3.800 2.379 2.026 2.734 . 0 0 "[ . 1 . 2]" 1
311 1 16 ALA HA 1 23 SER HA . . 4.660 4.518 3.899 4.657 . 0 0 "[ . 1 . 2]" 1
312 1 16 ALA MB 1 17 ARG H . . 3.840 3.308 2.946 3.590 . 0 0 "[ . 1 . 2]" 1
313 1 16 ALA MB 1 18 ASP H . . 3.420 2.967 2.748 3.320 . 0 0 "[ . 1 . 2]" 1
314 1 16 ALA MB 1 18 ASP HA . . 4.940 4.658 4.242 4.942 0.002 4 0 "[ . 1 . 2]" 1
315 1 16 ALA MB 1 19 ARG HA . . 4.920 4.112 3.643 4.550 . 0 0 "[ . 1 . 2]" 1
316 1 16 ALA MB 1 21 GLU H . . 3.970 3.347 2.908 3.819 . 0 0 "[ . 1 . 2]" 1
317 1 16 ALA MB 1 21 GLU HA . . 4.510 4.140 3.902 4.379 . 0 0 "[ . 1 . 2]" 1
318 1 16 ALA MB 1 21 GLU HB2 . . 3.710 3.552 3.349 3.710 0.000 10 0 "[ . 1 . 2]" 1
319 1 16 ALA MB 1 21 GLU HB3 . . 3.730 2.071 1.933 2.274 . 0 0 "[ . 1 . 2]" 1
320 1 16 ALA MB 1 23 SER HA . . 3.850 2.578 2.175 2.763 . 0 0 "[ . 1 . 2]" 1
321 1 16 ALA MB 1 24 LEU H . . 4.370 4.205 3.906 4.372 0.002 20 0 "[ . 1 . 2]" 1
322 1 17 ARG H 1 17 ARG QB . . 3.510 2.693 2.305 3.099 . 0 0 "[ . 1 . 2]" 1
323 1 17 ARG H 1 17 ARG HD2 . . 4.680 3.508 1.949 4.614 . 0 0 "[ . 1 . 2]" 1
324 1 17 ARG H 1 17 ARG QD . . 4.070 2.966 1.889 4.063 . 0 0 "[ . 1 . 2]" 1
325 1 17 ARG H 1 17 ARG HD3 . . 4.680 3.472 1.949 4.601 . 0 0 "[ . 1 . 2]" 1
326 1 17 ARG H 1 17 ARG QG . . 3.670 2.045 1.934 2.327 . 0 0 "[ . 1 . 2]" 1
327 1 17 ARG H 1 18 ASP H . . 3.030 2.372 1.899 2.955 . 0 0 "[ . 1 . 2]" 1
328 1 17 ARG H 1 21 GLU H . . 5.390 5.166 4.573 5.391 0.001 1 0 "[ . 1 . 2]" 1
329 1 17 ARG H 1 21 GLU HB2 . . 4.020 3.638 3.380 3.992 . 0 0 "[ . 1 . 2]" 1
330 1 17 ARG H 1 21 GLU HB3 . . 4.280 3.125 2.664 3.467 . 0 0 "[ . 1 . 2]" 1
331 1 17 ARG HA 1 17 ARG QG . . 3.580 3.309 3.142 3.437 . 0 0 "[ . 1 . 2]" 1
332 1 17 ARG QB 1 18 ASP H . . 3.740 3.564 2.902 3.752 0.012 4 0 "[ . 1 . 2]" 1
333 1 17 ARG QD 1 18 ASP H . . 4.540 3.672 1.933 4.488 . 0 0 "[ . 1 . 2]" 1
334 1 17 ARG HD2 1 18 ASP H . . 5.280 4.368 1.961 5.280 . 0 0 "[ . 1 . 2]" 1
335 1 17 ARG HD3 1 18 ASP H . . 5.280 4.156 2.047 5.279 . 0 0 "[ . 1 . 2]" 1
336 1 17 ARG QG 1 18 ASP H . . 4.130 2.959 2.096 4.130 . 0 0 "[ . 1 . 2]" 1
337 1 18 ASP H 1 18 ASP HB2 . . 3.950 2.989 2.614 3.845 . 0 0 "[ . 1 . 2]" 1
338 1 18 ASP H 1 18 ASP HB3 . . 3.950 3.510 2.722 3.902 . 0 0 "[ . 1 . 2]" 1
339 1 18 ASP H 1 20 SER H . . 4.690 4.111 3.792 4.545 . 0 0 "[ . 1 . 2]" 1
340 1 18 ASP H 1 21 GLU H . . 4.040 3.566 3.008 3.985 . 0 0 "[ . 1 . 2]" 1
341 1 18 ASP H 1 21 GLU HA . . 5.500 5.397 4.851 5.501 0.001 1 0 "[ . 1 . 2]" 1
342 1 18 ASP H 1 21 GLU HB2 . . 3.550 3.349 2.667 3.547 . 0 0 "[ . 1 . 2]" 1
343 1 18 ASP H 1 21 GLU HB3 . . 3.670 2.905 2.450 3.282 . 0 0 "[ . 1 . 2]" 1
344 1 18 ASP QB 1 20 SER H . . 4.040 2.224 1.958 2.626 . 0 0 "[ . 1 . 2]" 1
345 1 18 ASP HB2 1 20 SER H . . 4.630 2.969 2.155 3.978 . 0 0 "[ . 1 . 2]" 1
346 1 18 ASP HB3 1 20 SER H . . 4.630 2.539 1.971 3.896 . 0 0 "[ . 1 . 2]" 1
347 1 19 ARG H 1 20 SER H . . 5.500 2.585 2.185 2.697 . 0 0 "[ . 1 . 2]" 1
348 1 19 ARG HA 1 19 ARG QD . . 4.330 3.351 1.955 4.309 . 0 0 "[ . 1 . 2]" 1
349 1 19 ARG HA 1 19 ARG QG . . 3.530 2.759 2.347 3.474 . 0 0 "[ . 1 . 2]" 1
350 1 19 ARG HA 1 21 GLU H . . 4.150 3.395 3.203 3.701 . 0 0 "[ . 1 . 2]" 1
351 1 19 ARG QB 1 19 ARG QD . . 2.990 2.220 2.063 2.352 . 0 0 "[ . 1 . 2]" 1
352 1 19 ARG QB 1 20 SER H . . 3.820 3.401 2.945 3.803 . 0 0 "[ . 1 . 2]" 1
353 1 19 ARG QB 1 21 GLU H . . 4.730 4.592 4.364 4.731 0.001 1 0 "[ . 1 . 2]" 1
354 1 19 ARG HB2 1 19 ARG QD . . 3.420 2.607 2.118 3.420 0.000 14 0 "[ . 1 . 2]" 1
355 1 19 ARG HB2 1 20 SER H . . 4.400 3.884 3.294 4.373 . 0 0 "[ . 1 . 2]" 1
356 1 19 ARG HB2 1 21 GLU H . . 5.500 5.193 4.904 5.498 . 0 0 "[ . 1 . 2]" 1
357 1 19 ARG HB3 1 19 ARG QD . . 3.420 2.831 2.086 3.421 0.001 16 0 "[ . 1 . 2]" 1
358 1 19 ARG HB3 1 20 SER H . . 4.400 3.959 3.053 4.401 0.001 1 0 "[ . 1 . 2]" 1
359 1 19 ARG HB3 1 21 GLU H . . 5.500 5.147 4.852 5.497 . 0 0 "[ . 1 . 2]" 1
360 1 19 ARG QD 1 20 SER H . . 5.500 4.680 1.941 5.466 . 0 0 "[ . 1 . 2]" 1
361 1 19 ARG QG 1 20 SER H . . 4.580 3.921 2.497 4.578 . 0 0 "[ . 1 . 2]" 1
362 1 19 ARG QG 1 21 GLU H . . 5.430 4.892 4.327 5.397 . 0 0 "[ . 1 . 2]" 1
363 1 20 SER H 1 20 SER HB2 . . 3.830 3.561 3.458 3.669 . 0 0 "[ . 1 . 2]" 1
364 1 20 SER H 1 20 SER QB . . 3.280 2.641 2.353 2.835 . 0 0 "[ . 1 . 2]" 1
365 1 20 SER H 1 20 SER HB3 . . 3.830 2.733 2.388 2.997 . 0 0 "[ . 1 . 2]" 1
366 1 20 SER H 1 21 GLU H . . 3.110 2.497 2.311 2.690 . 0 0 "[ . 1 . 2]" 1
367 1 20 SER H 1 21 GLU HB2 . . 4.600 4.446 3.984 4.602 0.002 4 0 "[ . 1 . 2]" 1
368 1 20 SER H 1 21 GLU HB3 . . 5.150 4.797 4.403 5.091 . 0 0 "[ . 1 . 2]" 1
369 1 20 SER QB 1 21 GLU H . . 4.110 3.856 3.593 4.053 . 0 0 "[ . 1 . 2]" 1
370 1 20 SER HB2 1 21 GLU H . . 4.690 4.289 3.806 4.579 . 0 0 "[ . 1 . 2]" 1
371 1 20 SER HB3 1 21 GLU H . . 4.690 4.403 4.047 4.629 . 0 0 "[ . 1 . 2]" 1
372 1 21 GLU H 1 21 GLU HB2 . . 3.360 2.842 2.530 3.200 . 0 0 "[ . 1 . 2]" 1
373 1 21 GLU H 1 21 GLU HB3 . . 3.350 2.752 2.444 2.930 . 0 0 "[ . 1 . 2]" 1
374 1 21 GLU H 1 21 GLU QG . . 4.580 4.111 3.945 4.246 . 0 0 "[ . 1 . 2]" 1
375 1 21 GLU H 1 22 LEU H . . 4.770 4.504 4.384 4.580 . 0 0 "[ . 1 . 2]" 1
376 1 21 GLU HA 1 21 GLU HG2 . . 3.730 3.545 3.285 3.667 . 0 0 "[ . 1 . 2]" 1
377 1 21 GLU HA 1 21 GLU HG3 . . 3.730 2.491 2.326 2.861 . 0 0 "[ . 1 . 2]" 1
378 1 21 GLU HA 1 22 LEU H . . 3.210 2.377 2.301 2.464 . 0 0 "[ . 1 . 2]" 1
379 1 21 GLU HA 1 51 GLY QA . . 4.020 3.567 3.242 4.021 0.001 6 0 "[ . 1 . 2]" 1
380 1 21 GLU HA 1 52 TRP H . . 3.370 2.186 1.952 2.572 . 0 0 "[ . 1 . 2]" 1
381 1 21 GLU HA 1 52 TRP HB2 . . 4.470 3.075 2.755 3.670 . 0 0 "[ . 1 . 2]" 1
382 1 21 GLU HB2 1 22 LEU H . . 4.350 4.124 3.849 4.237 . 0 0 "[ . 1 . 2]" 1
383 1 21 GLU HB3 1 22 LEU H . . 4.110 3.705 3.399 4.073 . 0 0 "[ . 1 . 2]" 1
384 1 21 GLU QG 1 22 LEU H . . 3.290 1.984 1.867 2.276 . 0 0 "[ . 1 . 2]" 1
385 1 21 GLU QG 1 23 SER H . . 5.340 5.135 4.548 5.342 0.002 1 0 "[ . 1 . 2]" 1
386 1 21 GLU QG 1 52 TRP H . . 4.280 3.627 3.344 4.122 . 0 0 "[ . 1 . 2]" 1
387 1 21 GLU HG2 1 22 LEU H . . 3.790 3.303 2.220 3.709 . 0 0 "[ . 1 . 2]" 1
388 1 21 GLU HG2 1 52 TRP H . . 5.100 5.057 4.760 5.103 0.003 11 0 "[ . 1 . 2]" 1
389 1 21 GLU HG3 1 22 LEU H . . 3.790 2.023 1.948 2.380 . 0 0 "[ . 1 . 2]" 1
390 1 21 GLU HG3 1 52 TRP H . . 5.100 3.740 3.390 4.371 . 0 0 "[ . 1 . 2]" 1
391 1 22 LEU H 1 22 LEU HB2 . . 3.530 2.400 2.272 2.498 . 0 0 "[ . 1 . 2]" 1
392 1 22 LEU H 1 22 LEU HB3 . . 3.530 2.799 2.677 2.887 . 0 0 "[ . 1 . 2]" 1
393 1 22 LEU H 1 22 LEU MD1 . . 4.410 4.313 3.790 4.400 . 0 0 "[ . 1 . 2]" 1
394 1 22 LEU H 1 22 LEU MD2 . . 4.410 4.190 4.124 4.337 . 0 0 "[ . 1 . 2]" 1
395 1 22 LEU H 1 22 LEU HG . . 4.450 4.368 4.251 4.481 0.031 20 0 "[ . 1 . 2]" 1
396 1 22 LEU H 1 23 SER H . . 4.780 4.552 4.487 4.595 . 0 0 "[ . 1 . 2]" 1
397 1 22 LEU H 1 51 GLY QA . . 4.020 3.254 2.987 3.783 . 0 0 "[ . 1 . 2]" 1
398 1 22 LEU H 1 52 TRP H . . 3.960 2.327 1.936 2.913 . 0 0 "[ . 1 . 2]" 1
399 1 22 LEU H 1 53 PHE HA . . 4.610 3.973 3.661 4.280 . 0 0 "[ . 1 . 2]" 1
400 1 22 LEU H 1 53 PHE HB3 . . 4.440 3.527 3.111 3.753 . 0 0 "[ . 1 . 2]" 1
401 1 22 LEU HA 1 22 LEU MD1 . . 4.480 3.734 2.426 3.833 . 0 0 "[ . 1 . 2]" 1
402 1 22 LEU HA 1 22 LEU QD . . 2.940 2.386 2.353 2.506 . 0 0 "[ . 1 . 2]" 1
403 1 22 LEU HA 1 22 LEU MD2 . . 4.480 2.481 2.375 3.811 . 0 0 "[ . 1 . 2]" 1
404 1 22 LEU HA 1 23 SER H . . 2.870 2.240 2.212 2.262 . 0 0 "[ . 1 . 2]" 1
405 1 22 LEU QB 1 24 LEU MD1 . . 3.980 2.396 2.145 3.057 . 0 0 "[ . 1 . 2]" 1
406 1 22 LEU QB 1 44 GLY H . . 4.800 3.972 3.580 4.703 . 0 0 "[ . 1 . 2]" 1
407 1 22 LEU QB 1 51 GLY H . . 5.260 3.737 3.506 4.033 . 0 0 "[ . 1 . 2]" 1
408 1 22 LEU QB 1 51 GLY QA . . 3.730 2.459 2.212 2.645 . 0 0 "[ . 1 . 2]" 1
409 1 22 LEU QB 1 52 TRP H . . 4.640 2.528 2.335 2.805 . 0 0 "[ . 1 . 2]" 1
410 1 22 LEU QB 1 52 TRP HA . . 4.420 3.154 2.953 3.285 . 0 0 "[ . 1 . 2]" 1
411 1 22 LEU QB 1 53 PHE H . . 5.340 4.037 3.611 4.441 . 0 0 "[ . 1 . 2]" 1
412 1 22 LEU HB2 1 23 SER H . . 4.620 4.384 4.361 4.428 . 0 0 "[ . 1 . 2]" 1
413 1 22 LEU HB3 1 23 SER H . . 4.620 3.827 3.720 4.004 . 0 0 "[ . 1 . 2]" 1
414 1 22 LEU QD 1 23 SER H . . 3.450 1.935 1.809 3.398 . 0 0 "[ . 1 . 2]" 1
415 1 22 LEU QD 1 24 LEU MD1 . . 4.080 2.188 1.919 2.617 . 0 0 "[ . 1 . 2]" 1
416 1 22 LEU QD 1 44 GLY H . . 3.750 2.247 1.926 2.755 . 0 0 "[ . 1 . 2]" 1
417 1 22 LEU QD 1 44 GLY HA2 . . 4.670 3.666 3.441 3.936 . 0 0 "[ . 1 . 2]" 1
418 1 22 LEU QD 1 44 GLY HA3 . . 5.100 2.752 2.434 3.068 . 0 0 "[ . 1 . 2]" 1
419 1 22 LEU QD 1 45 GLU H . . 3.710 2.771 2.371 3.125 . 0 0 "[ . 1 . 2]" 1
420 1 22 LEU QD 1 45 GLU HA . . 3.390 2.141 1.910 2.517 . 0 0 "[ . 1 . 2]" 1
421 1 22 LEU QD 1 46 ILE H . . 3.560 2.813 2.510 3.170 . 0 0 "[ . 1 . 2]" 1
422 1 22 LEU QD 1 46 ILE HB . . 3.210 2.294 2.062 3.035 . 0 0 "[ . 1 . 2]" 1
423 1 22 LEU QD 1 46 ILE HG13 . . 4.240 2.674 2.387 3.007 . 0 0 "[ . 1 . 2]" 1
424 1 22 LEU QD 1 49 ARG H . . 4.480 4.349 4.050 4.484 0.004 13 0 "[ . 1 . 2]" 1
425 1 22 LEU QD 1 49 ARG HB2 . . 3.520 3.196 2.955 3.448 . 0 0 "[ . 1 . 2]" 1
426 1 22 LEU QD 1 49 ARG HB3 . . 3.490 3.330 2.967 3.491 0.001 9 0 "[ . 1 . 2]" 1
427 1 22 LEU QD 1 49 ARG QD . . 4.450 4.329 4.102 4.453 0.003 16 0 "[ . 1 . 2]" 1
428 1 22 LEU QD 1 50 ILE HA . . 3.590 3.342 2.471 3.565 . 0 0 "[ . 1 . 2]" 1
429 1 22 LEU QD 1 51 GLY H . . 3.760 3.000 2.417 3.438 . 0 0 "[ . 1 . 2]" 1
430 1 22 LEU QD 1 51 GLY QA . . 3.730 3.120 1.960 3.515 . 0 0 "[ . 1 . 2]" 1
431 1 22 LEU QD 1 52 TRP H . . 4.780 4.069 3.475 4.284 . 0 0 "[ . 1 . 2]" 1
432 1 22 LEU QD 1 53 PHE H . . 5.260 4.409 3.832 4.977 . 0 0 "[ . 1 . 2]" 1
433 1 22 LEU QD 1 53 PHE HB3 . . 4.750 3.191 2.537 3.725 . 0 0 "[ . 1 . 2]" 1
434 1 22 LEU QD 1 53 PHE QD . . 3.980 2.267 1.854 2.696 . 0 0 "[ . 1 . 2]" 1
435 1 22 LEU QD 1 53 PHE QE . . 3.950 2.782 2.088 3.077 . 0 0 "[ . 1 . 2]" 1
436 1 22 LEU QD 1 53 PHE HZ . . 4.720 4.345 3.903 4.606 . 0 0 "[ . 1 . 2]" 1
437 1 22 LEU MD1 1 23 SER H . . 4.910 4.340 3.589 4.520 . 0 0 "[ . 1 . 2]" 1
438 1 22 LEU MD1 1 45 GLU HA . . 3.900 2.245 1.941 2.767 . 0 0 "[ . 1 . 2]" 1
439 1 22 LEU MD1 1 46 ILE H . . 4.490 3.719 2.993 4.335 . 0 0 "[ . 1 . 2]" 1
440 1 22 LEU MD1 1 46 ILE HB . . 4.130 3.792 3.521 4.116 . 0 0 "[ . 1 . 2]" 1
441 1 22 LEU MD1 1 50 ILE HA . . 4.430 3.636 2.485 4.135 . 0 0 "[ . 1 . 2]" 1
442 1 22 LEU MD1 1 51 GLY H . . 4.290 3.073 2.437 3.618 . 0 0 "[ . 1 . 2]" 1
443 1 22 LEU MD1 1 51 GLY QA . . 4.450 3.506 1.964 4.071 . 0 0 "[ . 1 . 2]" 1
444 1 22 LEU MD1 1 53 PHE QE . . 5.310 2.886 2.439 3.930 . 0 0 "[ . 1 . 2]" 1
445 1 22 LEU MD2 1 23 SER H . . 4.910 1.977 1.810 4.200 . 0 0 "[ . 1 . 2]" 1
446 1 22 LEU MD2 1 45 GLU HA . . 3.900 2.812 2.540 3.022 . 0 0 "[ . 1 . 2]" 1
447 1 22 LEU MD2 1 46 ILE H . . 4.490 2.955 2.606 3.918 . 0 0 "[ . 1 . 2]" 1
448 1 22 LEU MD2 1 46 ILE HB . . 4.130 2.323 2.072 3.283 . 0 0 "[ . 1 . 2]" 1
449 1 22 LEU MD2 1 50 ILE HA . . 4.430 3.991 3.803 4.360 . 0 0 "[ . 1 . 2]" 1
450 1 22 LEU MD2 1 51 GLY H . . 4.290 4.269 4.013 4.294 0.004 10 0 "[ . 1 . 2]" 1
451 1 22 LEU MD2 1 51 GLY QA . . 4.450 3.585 3.296 4.078 . 0 0 "[ . 1 . 2]" 1
452 1 22 LEU MD2 1 53 PHE QE . . 5.310 5.059 2.096 5.312 0.002 13 0 "[ . 1 . 2]" 1
453 1 22 LEU HG 1 23 SER H . . 3.670 3.621 2.692 3.673 0.003 19 0 "[ . 1 . 2]" 1
454 1 22 LEU HG 1 24 LEU MD1 . . 4.910 4.285 3.203 4.913 0.003 16 0 "[ . 1 . 2]" 1
455 1 22 LEU HG 1 44 GLY H . . 5.500 4.362 3.731 5.523 0.023 20 0 "[ . 1 . 2]" 1
456 1 22 LEU HG 1 45 GLU HA . . 4.850 3.053 2.533 4.060 . 0 0 "[ . 1 . 2]" 1
457 1 22 LEU HG 1 51 GLY H . . 5.300 2.908 2.717 5.283 . 0 0 "[ . 1 . 2]" 1
458 1 23 SER H 1 23 SER HB2 . . 3.540 2.539 2.090 3.520 . 0 0 "[ . 1 . 2]" 1
459 1 23 SER H 1 23 SER QB . . 3.000 2.223 2.054 2.889 . 0 0 "[ . 1 . 2]" 1
460 1 23 SER H 1 23 SER HB3 . . 3.540 2.797 2.098 3.505 . 0 0 "[ . 1 . 2]" 1
461 1 23 SER H 1 24 LEU H . . 4.550 4.337 4.213 4.463 . 0 0 "[ . 1 . 2]" 1
462 1 23 SER H 1 49 ARG HB3 . . 5.020 3.941 3.228 5.022 0.002 20 0 "[ . 1 . 2]" 1
463 1 23 SER HA 1 24 LEU H . . 3.150 2.239 2.217 2.275 . 0 0 "[ . 1 . 2]" 1
464 1 23 SER QB 1 24 LEU H . . 3.950 3.885 3.652 3.956 0.006 16 0 "[ . 1 . 2]" 1
465 1 24 LEU H 1 24 LEU QB . . 3.400 2.193 2.104 2.284 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU H 1 24 LEU MD1 . . 4.640 2.801 2.550 3.732 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU H 1 24 LEU MD2 . . 4.430 3.828 3.519 4.383 . 0 0 "[ . 1 . 2]" 1
468 1 24 LEU H 1 25 LYS H . . 4.690 4.578 4.543 4.607 . 0 0 "[ . 1 . 2]" 1
469 1 24 LEU HA 1 24 LEU MD1 . . 3.230 2.079 1.975 2.345 . 0 0 "[ . 1 . 2]" 1
470 1 24 LEU HA 1 24 LEU MD2 . . 4.600 3.791 3.755 3.819 . 0 0 "[ . 1 . 2]" 1
471 1 24 LEU HA 1 25 LYS H . . 2.990 2.385 2.300 2.446 . 0 0 "[ . 1 . 2]" 1
472 1 24 LEU QB 1 24 LEU MD2 . . 2.930 2.074 2.003 2.113 . 0 0 "[ . 1 . 2]" 1
473 1 24 LEU QB 1 25 LYS H . . 3.590 2.800 2.585 3.364 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU HB2 1 24 LEU MD2 . . 3.490 2.259 2.103 2.599 . 0 0 "[ . 1 . 2]" 1
475 1 24 LEU HB2 1 25 LYS H . . 4.400 4.102 3.964 4.328 . 0 0 "[ . 1 . 2]" 1
476 1 24 LEU HB3 1 24 LEU MD2 . . 3.490 2.507 2.084 2.645 . 0 0 "[ . 1 . 2]" 1
477 1 24 LEU HB3 1 25 LYS H . . 4.400 2.856 2.619 3.506 . 0 0 "[ . 1 . 2]" 1
478 1 24 LEU MD1 1 25 LYS H . . 3.980 3.800 3.487 3.964 . 0 0 "[ . 1 . 2]" 1
479 1 24 LEU MD1 1 28 ASP HB3 . . 5.500 5.386 5.005 5.500 . 0 0 "[ . 1 . 2]" 1
480 1 24 LEU MD1 1 46 ILE MD . . 3.390 2.622 2.365 2.924 . 0 0 "[ . 1 . 2]" 1
481 1 24 LEU MD1 1 53 PHE HB2 . . 4.200 3.088 2.489 3.688 . 0 0 "[ . 1 . 2]" 1
482 1 24 LEU MD1 1 53 PHE HB3 . . 4.060 2.625 2.372 3.037 . 0 0 "[ . 1 . 2]" 1
483 1 24 LEU MD1 1 53 PHE QD . . 4.170 3.311 3.025 3.470 . 0 0 "[ . 1 . 2]" 1
484 1 24 LEU MD2 1 25 LYS H . . 4.690 4.534 3.853 4.691 0.001 20 0 "[ . 1 . 2]" 1
485 1 24 LEU MD2 1 53 PHE HB2 . . 3.990 2.012 1.776 2.678 . 0 0 "[ . 1 . 2]" 1
486 1 24 LEU MD2 1 53 PHE HB3 . . 3.900 2.742 2.282 3.845 . 0 0 "[ . 1 . 2]" 1
487 1 24 LEU MD2 1 53 PHE QD . . 3.990 2.619 2.164 3.284 . 0 0 "[ . 1 . 2]" 1
488 1 24 LEU MD2 1 57 TYR HB2 . . 3.840 3.397 2.788 3.644 . 0 0 "[ . 1 . 2]" 1
489 1 24 LEU MD2 1 57 TYR HB3 . . 4.040 3.021 2.391 3.520 . 0 0 "[ . 1 . 2]" 1
490 1 24 LEU MD2 1 58 VAL H . . 4.760 4.725 4.619 4.762 0.002 19 0 "[ . 1 . 2]" 1
491 1 24 LEU HG 1 25 LYS H . . 3.810 3.402 2.513 3.704 . 0 0 "[ . 1 . 2]" 1
492 1 25 LYS H 1 25 LYS QB . . 3.090 2.843 2.819 2.885 . 0 0 "[ . 1 . 2]" 1
493 1 25 LYS H 1 25 LYS QG . . 4.280 4.248 3.784 4.282 0.002 12 0 "[ . 1 . 2]" 1
494 1 25 LYS H 1 26 GLU H . . 4.180 3.892 3.829 3.981 . 0 0 "[ . 1 . 2]" 1
495 1 25 LYS H 1 28 ASP HB2 . . 3.950 2.742 2.495 3.117 . 0 0 "[ . 1 . 2]" 1
496 1 25 LYS H 1 28 ASP HB3 . . 4.510 4.137 3.863 4.462 . 0 0 "[ . 1 . 2]" 1
497 1 25 LYS HA 1 25 LYS QD . . 4.240 3.037 2.331 3.921 . 0 0 "[ . 1 . 2]" 1
498 1 25 LYS HA 1 26 GLU H . . 2.970 2.180 2.176 2.184 . 0 0 "[ . 1 . 2]" 1
499 1 25 LYS HA 1 26 GLU HA . . 4.340 4.333 4.304 4.350 0.010 14 0 "[ . 1 . 2]" 1
500 1 25 LYS HA 1 26 GLU HG3 . . 4.840 4.526 4.448 4.667 . 0 0 "[ . 1 . 2]" 1
501 1 25 LYS QB 1 25 LYS QE . . 3.990 3.262 2.140 3.830 . 0 0 "[ . 1 . 2]" 1
502 1 25 LYS QB 1 26 GLU H . . 3.940 3.897 3.503 3.934 . 0 0 "[ . 1 . 2]" 1
503 1 25 LYS QD 1 26 GLU H . . 4.510 3.487 3.121 4.511 0.001 16 0 "[ . 1 . 2]" 1
504 1 25 LYS QG 1 26 GLU H . . 3.930 3.266 2.870 3.700 . 0 0 "[ . 1 . 2]" 1
505 1 26 GLU H 1 26 GLU HB2 . . 3.280 2.319 2.230 2.358 . 0 0 "[ . 1 . 2]" 1
506 1 26 GLU H 1 26 GLU HB3 . . 3.820 3.535 3.496 3.548 . 0 0 "[ . 1 . 2]" 1
507 1 26 GLU H 1 26 GLU HG2 . . 4.060 3.917 3.861 4.033 . 0 0 "[ . 1 . 2]" 1
508 1 26 GLU H 1 26 GLU HG3 . . 3.690 2.575 2.489 2.759 . 0 0 "[ . 1 . 2]" 1
509 1 26 GLU H 1 27 GLY H . . 5.500 4.621 4.600 4.664 . 0 0 "[ . 1 . 2]" 1
510 1 26 GLU HA 1 26 GLU HG2 . . 3.670 2.739 2.683 2.788 . 0 0 "[ . 1 . 2]" 1
511 1 26 GLU HA 1 26 GLU HG3 . . 3.630 2.342 2.280 2.373 . 0 0 "[ . 1 . 2]" 1
512 1 26 GLU HA 1 27 GLY H . . 2.810 2.271 2.246 2.343 . 0 0 "[ . 1 . 2]" 1
513 1 26 GLU HA 1 27 GLY HA2 . . 4.680 4.468 4.453 4.508 . 0 0 "[ . 1 . 2]" 1
514 1 26 GLU HA 1 27 GLY QA . . 4.110 3.987 3.973 4.027 . 0 0 "[ . 1 . 2]" 1
515 1 26 GLU HA 1 27 GLY HA3 . . 4.680 4.483 4.461 4.532 . 0 0 "[ . 1 . 2]" 1
516 1 26 GLU HA 1 28 ASP H . . 3.660 3.193 3.170 3.268 . 0 0 "[ . 1 . 2]" 1
517 1 26 GLU HB2 1 26 GLU HG2 . . 3.050 3.011 2.999 3.022 . 0 0 "[ . 1 . 2]" 1
518 1 26 GLU HB2 1 26 GLU HG3 . . 2.770 2.706 2.678 2.732 . 0 0 "[ . 1 . 2]" 1
519 1 26 GLU HB2 1 27 GLY H . . 4.550 4.320 4.203 4.382 . 0 0 "[ . 1 . 2]" 1
520 1 26 GLU HB3 1 27 GLY H . . 4.060 3.187 2.963 3.295 . 0 0 "[ . 1 . 2]" 1
521 1 26 GLU HB3 1 28 ASP H . . 4.940 4.936 4.910 4.944 0.004 20 0 "[ . 1 . 2]" 1
522 1 26 GLU HG2 1 27 GLY H . . 4.150 3.914 3.648 4.025 . 0 0 "[ . 1 . 2]" 1
523 1 26 GLU HG2 1 27 GLY QA . . 5.340 5.268 5.111 5.341 0.001 20 0 "[ . 1 . 2]" 1
524 1 26 GLU HG3 1 27 GLY H . . 4.450 4.356 4.197 4.426 . 0 0 "[ . 1 . 2]" 1
525 1 26 GLU HG3 1 28 ASP H . . 5.500 5.495 5.473 5.502 0.002 10 0 "[ . 1 . 2]" 1
526 1 27 GLY H 1 28 ASP H . . 3.210 2.469 2.402 2.603 . 0 0 "[ . 1 . 2]" 1
527 1 28 ASP H 1 28 ASP HB2 . . 3.050 2.462 2.351 2.645 . 0 0 "[ . 1 . 2]" 1
528 1 28 ASP H 1 28 ASP HB3 . . 3.760 3.643 3.568 3.760 . 0 0 "[ . 1 . 2]" 1
529 1 28 ASP H 1 29 ILE H . . 4.730 4.528 4.453 4.584 . 0 0 "[ . 1 . 2]" 1
530 1 28 ASP H 1 29 ILE MD . . 4.670 4.435 4.326 4.517 . 0 0 "[ . 1 . 2]" 1
531 1 28 ASP H 1 46 ILE MD . . 5.080 4.844 4.601 4.995 . 0 0 "[ . 1 . 2]" 1
532 1 28 ASP HA 1 29 ILE H . . 2.700 2.513 2.464 2.550 . 0 0 "[ . 1 . 2]" 1
533 1 28 ASP HA 1 29 ILE HG12 . . 4.400 4.158 4.063 4.237 . 0 0 "[ . 1 . 2]" 1
534 1 28 ASP HA 1 29 ILE HG13 . . 5.300 5.209 5.179 5.239 . 0 0 "[ . 1 . 2]" 1
535 1 28 ASP HA 1 46 ILE MD . . 4.330 4.280 4.160 4.332 0.002 2 0 "[ . 1 . 2]" 1
536 1 28 ASP HB2 1 29 ILE H . . 3.940 3.680 3.592 3.801 . 0 0 "[ . 1 . 2]" 1
537 1 28 ASP HB2 1 30 ILE MD . . 4.190 3.225 2.960 3.534 . 0 0 "[ . 1 . 2]" 1
538 1 28 ASP HB2 1 46 ILE MD . . 4.010 2.970 2.713 3.165 . 0 0 "[ . 1 . 2]" 1
539 1 28 ASP HB3 1 29 ILE H . . 3.550 2.480 2.385 2.601 . 0 0 "[ . 1 . 2]" 1
540 1 28 ASP HB3 1 30 ILE MD . . 4.080 3.595 3.175 3.847 . 0 0 "[ . 1 . 2]" 1
541 1 28 ASP HB3 1 46 ILE MD . . 3.550 2.198 2.102 2.287 . 0 0 "[ . 1 . 2]" 1
542 1 28 ASP HB3 1 46 ILE HG12 . . 4.490 4.403 4.035 4.497 0.007 20 0 "[ . 1 . 2]" 1
543 1 28 ASP HB3 1 46 ILE MG . . 4.870 3.371 3.130 3.613 . 0 0 "[ . 1 . 2]" 1
544 1 29 ILE H 1 29 ILE HB . . 3.510 3.492 3.475 3.512 0.002 13 0 "[ . 1 . 2]" 1
545 1 29 ILE H 1 29 ILE MD . . 3.440 2.044 1.959 2.233 . 0 0 "[ . 1 . 2]" 1
546 1 29 ILE H 1 29 ILE HG12 . . 3.550 2.001 1.949 2.053 . 0 0 "[ . 1 . 2]" 1
547 1 29 ILE H 1 29 ILE HG13 . . 3.480 3.438 3.405 3.482 0.002 12 0 "[ . 1 . 2]" 1
548 1 29 ILE H 1 29 ILE MG . . 3.590 3.352 3.319 3.399 . 0 0 "[ . 1 . 2]" 1
549 1 29 ILE H 1 30 ILE H . . 4.620 4.500 4.445 4.537 . 0 0 "[ . 1 . 2]" 1
550 1 29 ILE H 1 46 ILE MD . . 4.090 3.162 2.944 3.330 . 0 0 "[ . 1 . 2]" 1
551 1 29 ILE HA 1 29 ILE MD . . 3.370 3.092 3.065 3.146 . 0 0 "[ . 1 . 2]" 1
552 1 29 ILE HA 1 29 ILE MG . . 3.180 2.164 2.131 2.176 . 0 0 "[ . 1 . 2]" 1
553 1 29 ILE HA 1 30 ILE H . . 2.890 2.282 2.228 2.355 . 0 0 "[ . 1 . 2]" 1
554 1 29 ILE HA 1 30 ILE HA . . 4.430 4.371 4.350 4.398 . 0 0 "[ . 1 . 2]" 1
555 1 29 ILE HA 1 30 ILE HB . . 4.700 4.206 4.150 4.242 . 0 0 "[ . 1 . 2]" 1
556 1 29 ILE HA 1 30 ILE MD . . 4.070 2.937 2.812 3.060 . 0 0 "[ . 1 . 2]" 1
557 1 29 ILE HB 1 29 ILE MD . . 3.650 3.186 3.176 3.190 . 0 0 "[ . 1 . 2]" 1
558 1 29 ILE HB 1 30 ILE H . . 4.570 3.089 2.862 3.284 . 0 0 "[ . 1 . 2]" 1
559 1 29 ILE HB 1 30 ILE MD . . 4.930 4.662 4.507 4.833 . 0 0 "[ . 1 . 2]" 1
560 1 29 ILE MD 1 30 ILE H . . 5.080 4.851 4.799 4.890 . 0 0 "[ . 1 . 2]" 1
561 1 29 ILE HG12 1 29 ILE MG . . 3.360 3.229 3.223 3.234 . 0 0 "[ . 1 . 2]" 1
562 1 29 ILE HG12 1 30 ILE H . . 4.870 4.758 4.644 4.847 . 0 0 "[ . 1 . 2]" 1
563 1 29 ILE HG13 1 29 ILE MG . . 3.350 2.496 2.463 2.561 . 0 0 "[ . 1 . 2]" 1
564 1 29 ILE MG 1 30 ILE H . . 3.380 3.311 3.205 3.386 0.006 11 0 "[ . 1 . 2]" 1
565 1 29 ILE MG 1 30 ILE MD . . 4.540 4.368 4.271 4.468 . 0 0 "[ . 1 . 2]" 1
566 1 30 ILE H 1 30 ILE HB . . 3.300 2.362 2.255 2.463 . 0 0 "[ . 1 . 2]" 1
567 1 30 ILE H 1 30 ILE MD . . 3.730 2.598 2.393 2.831 . 0 0 "[ . 1 . 2]" 1
568 1 30 ILE H 1 30 ILE HG12 . . 4.760 4.546 4.420 4.703 . 0 0 "[ . 1 . 2]" 1
569 1 30 ILE H 1 30 ILE HG13 . . 4.100 4.027 3.946 4.093 . 0 0 "[ . 1 . 2]" 1
570 1 30 ILE H 1 30 ILE MG . . 3.870 3.572 3.538 3.623 . 0 0 "[ . 1 . 2]" 1
571 1 30 ILE H 1 31 LYS H . . 4.620 4.285 4.228 4.338 . 0 0 "[ . 1 . 2]" 1
572 1 30 ILE HA 1 30 ILE MD . . 4.010 2.955 2.888 3.061 . 0 0 "[ . 1 . 2]" 1
573 1 30 ILE HA 1 30 ILE HG12 . . 4.090 3.444 3.388 3.480 . 0 0 "[ . 1 . 2]" 1
574 1 30 ILE HA 1 30 ILE HG13 . . 3.310 2.139 2.091 2.183 . 0 0 "[ . 1 . 2]" 1
575 1 30 ILE HA 1 30 ILE MG . . 3.250 2.625 2.588 2.645 . 0 0 "[ . 1 . 2]" 1
576 1 30 ILE HA 1 31 LYS H . . 2.920 2.177 2.176 2.178 . 0 0 "[ . 1 . 2]" 1
577 1 30 ILE HA 1 31 LYS HA . . 4.460 4.366 4.361 4.371 . 0 0 "[ . 1 . 2]" 1
578 1 30 ILE HA 1 31 LYS HB2 . . 4.760 4.741 4.709 4.764 0.004 20 0 "[ . 1 . 2]" 1
579 1 30 ILE HA 1 31 LYS HB3 . . 4.630 4.398 4.372 4.426 . 0 0 "[ . 1 . 2]" 1
580 1 30 ILE HA 1 45 GLU H . . 4.240 3.929 3.781 4.104 . 0 0 "[ . 1 . 2]" 1
581 1 30 ILE HA 1 46 ILE HB . . 4.850 4.713 4.375 4.854 0.004 16 0 "[ . 1 . 2]" 1
582 1 30 ILE HA 1 46 ILE MD . . 3.660 2.590 2.208 2.891 . 0 0 "[ . 1 . 2]" 1
583 1 30 ILE HB 1 30 ILE MD . . 3.140 2.226 2.187 2.253 . 0 0 "[ . 1 . 2]" 1
584 1 30 ILE HB 1 31 LYS H . . 4.780 4.565 4.532 4.582 . 0 0 "[ . 1 . 2]" 1
585 1 30 ILE HB 1 32 ILE MD . . 4.660 3.917 3.513 4.241 . 0 0 "[ . 1 . 2]" 1
586 1 30 ILE MD 1 30 ILE MG . . 3.290 3.171 3.124 3.196 . 0 0 "[ . 1 . 2]" 1
587 1 30 ILE MD 1 31 LYS H . . 4.920 4.792 4.740 4.880 . 0 0 "[ . 1 . 2]" 1
588 1 30 ILE MD 1 46 ILE HB . . 4.670 4.637 4.473 4.681 0.011 16 0 "[ . 1 . 2]" 1
589 1 30 ILE MD 1 53 PHE QE . . 4.880 4.459 4.289 4.773 . 0 0 "[ . 1 . 2]" 1
590 1 30 ILE MD 1 53 PHE HZ . . 5.300 5.247 5.144 5.301 0.001 13 0 "[ . 1 . 2]" 1
591 1 30 ILE MD 1 58 VAL MG1 . . 3.740 2.430 2.097 2.875 . 0 0 "[ . 1 . 2]" 1
592 1 30 ILE MD 1 59 GLU H . . 5.230 4.862 4.567 5.172 . 0 0 "[ . 1 . 2]" 1
593 1 30 ILE HG12 1 30 ILE MG . . 3.090 2.064 2.034 2.083 . 0 0 "[ . 1 . 2]" 1
594 1 30 ILE HG12 1 31 LYS H . . 5.500 5.177 5.058 5.236 . 0 0 "[ . 1 . 2]" 1
595 1 30 ILE HG12 1 45 GLU H . . 5.500 5.285 4.992 5.501 0.001 13 0 "[ . 1 . 2]" 1
596 1 30 ILE HG13 1 31 LYS H . . 4.320 4.026 3.977 4.079 . 0 0 "[ . 1 . 2]" 1
597 1 30 ILE MG 1 31 LYS H . . 3.490 2.930 2.842 2.981 . 0 0 "[ . 1 . 2]" 1
598 1 30 ILE MG 1 31 LYS HA . . 4.850 3.986 3.931 4.032 . 0 0 "[ . 1 . 2]" 1
599 1 30 ILE MG 1 31 LYS HB2 . . 5.060 5.066 5.056 5.080 0.020 13 0 "[ . 1 . 2]" 1
600 1 30 ILE MG 1 31 LYS HB3 . . 4.490 4.372 4.328 4.440 . 0 0 "[ . 1 . 2]" 1
601 1 30 ILE MG 1 32 ILE HA . . 4.400 3.462 3.423 3.497 . 0 0 "[ . 1 . 2]" 1
602 1 30 ILE MG 1 32 ILE HB . . 5.500 5.242 5.172 5.331 . 0 0 "[ . 1 . 2]" 1
603 1 30 ILE MG 1 32 ILE MD . . 3.830 2.379 1.960 2.731 . 0 0 "[ . 1 . 2]" 1
604 1 30 ILE MG 1 44 GLY H . . 4.430 3.926 3.593 4.413 . 0 0 "[ . 1 . 2]" 1
605 1 30 ILE MG 1 44 GLY HA2 . . 3.830 3.689 3.535 3.819 . 0 0 "[ . 1 . 2]" 1
606 1 30 ILE MG 1 44 GLY HA3 . . 3.650 2.332 2.165 2.454 . 0 0 "[ . 1 . 2]" 1
607 1 30 ILE MG 1 45 GLU H . . 3.500 2.937 2.605 3.303 . 0 0 "[ . 1 . 2]" 1
608 1 30 ILE MG 1 46 ILE HB . . 5.500 5.330 5.088 5.497 . 0 0 "[ . 1 . 2]" 1
609 1 30 ILE MG 1 53 PHE QD . . 4.010 3.231 3.094 3.407 . 0 0 "[ . 1 . 2]" 1
610 1 30 ILE MG 1 53 PHE QE . . 3.830 2.357 2.227 2.443 . 0 0 "[ . 1 . 2]" 1
611 1 30 ILE MG 1 53 PHE HZ . . 4.310 1.972 1.913 2.101 . 0 0 "[ . 1 . 2]" 1
612 1 31 LYS H 1 31 LYS HB2 . . 3.180 2.764 2.710 2.835 . 0 0 "[ . 1 . 2]" 1
613 1 31 LYS H 1 31 LYS HB3 . . 3.270 2.247 2.222 2.272 . 0 0 "[ . 1 . 2]" 1
614 1 31 LYS H 1 31 LYS HD2 . . 5.010 4.909 4.877 4.940 . 0 0 "[ . 1 . 2]" 1
615 1 31 LYS H 1 31 LYS HD3 . . 5.010 4.505 4.435 4.560 . 0 0 "[ . 1 . 2]" 1
616 1 31 LYS H 1 31 LYS HG2 . . 4.790 4.597 4.589 4.613 . 0 0 "[ . 1 . 2]" 1
617 1 31 LYS H 1 31 LYS HG3 . . 4.560 4.224 4.171 4.262 . 0 0 "[ . 1 . 2]" 1
618 1 31 LYS H 1 32 ILE HG12 . . 5.500 5.259 5.158 5.408 . 0 0 "[ . 1 . 2]" 1
619 1 31 LYS H 1 44 GLY HA2 . . 5.370 4.953 4.789 5.238 . 0 0 "[ . 1 . 2]" 1
620 1 31 LYS H 1 44 GLY HA3 . . 4.940 4.263 4.046 4.455 . 0 0 "[ . 1 . 2]" 1
621 1 31 LYS H 1 45 GLU H . . 3.570 2.826 2.749 2.979 . 0 0 "[ . 1 . 2]" 1
622 1 31 LYS HA 1 31 LYS HD2 . . 4.600 2.701 2.616 2.775 . 0 0 "[ . 1 . 2]" 1
623 1 31 LYS HA 1 31 LYS QD . . 4.050 2.022 1.951 2.084 . 0 0 "[ . 1 . 2]" 1
624 1 31 LYS HA 1 31 LYS HD3 . . 4.600 2.089 1.999 2.178 . 0 0 "[ . 1 . 2]" 1
625 1 31 LYS HA 1 32 ILE H . . 3.050 2.178 2.176 2.180 . 0 0 "[ . 1 . 2]" 1
626 1 31 LYS HA 1 32 ILE HB . . 5.090 4.656 4.608 4.698 . 0 0 "[ . 1 . 2]" 1
627 1 31 LYS HA 1 45 GLU H . . 5.330 4.708 4.487 5.014 . 0 0 "[ . 1 . 2]" 1
628 1 31 LYS HB2 1 31 LYS QE . . 4.090 3.839 3.602 4.083 . 0 0 "[ . 1 . 2]" 1
629 1 31 LYS HB2 1 32 ILE H . . 4.730 4.313 4.284 4.346 . 0 0 "[ . 1 . 2]" 1
630 1 31 LYS HB3 1 31 LYS QD . . 3.730 3.321 3.315 3.328 . 0 0 "[ . 1 . 2]" 1
631 1 31 LYS HB3 1 31 LYS QE . . 4.540 4.358 4.248 4.459 . 0 0 "[ . 1 . 2]" 1
632 1 31 LYS HB3 1 32 ILE H . . 4.640 4.542 4.517 4.557 . 0 0 "[ . 1 . 2]" 1
633 1 31 LYS QD 1 31 LYS HG2 . . 2.550 2.529 2.521 2.538 . 0 0 "[ . 1 . 2]" 1
634 1 31 LYS QD 1 32 ILE H . . 3.710 2.207 2.152 2.291 . 0 0 "[ . 1 . 2]" 1
635 1 31 LYS QD 1 33 LEU MD2 . . 4.420 3.030 2.773 3.226 . 0 0 "[ . 1 . 2]" 1
636 1 31 LYS HD2 1 33 LEU MD2 . . 5.020 3.115 2.826 3.336 . 0 0 "[ . 1 . 2]" 1
637 1 31 LYS HD3 1 33 LEU MD2 . . 5.020 4.159 4.011 4.283 . 0 0 "[ . 1 . 2]" 1
638 1 31 LYS QE 1 31 LYS HG2 . . 3.540 2.280 2.118 2.368 . 0 0 "[ . 1 . 2]" 1
639 1 31 LYS QE 1 33 LEU MD2 . . 3.780 2.774 2.552 3.511 . 0 0 "[ . 1 . 2]" 1
640 1 31 LYS HG2 1 32 ILE H . . 5.170 4.817 4.761 4.874 . 0 0 "[ . 1 . 2]" 1
641 1 31 LYS HG3 1 32 ILE H . . 3.930 3.922 3.876 3.933 0.003 6 0 "[ . 1 . 2]" 1
642 1 31 LYS HG3 1 33 LEU MD2 . . 3.990 1.897 1.834 1.951 . 0 0 "[ . 1 . 2]" 1
643 1 32 ILE H 1 32 ILE HB . . 3.310 2.498 2.454 2.533 . 0 0 "[ . 1 . 2]" 1
644 1 32 ILE H 1 32 ILE MD . . 3.950 3.442 3.077 3.593 . 0 0 "[ . 1 . 2]" 1
645 1 32 ILE H 1 32 ILE HG12 . . 3.620 1.966 1.948 2.040 . 0 0 "[ . 1 . 2]" 1
646 1 32 ILE H 1 32 ILE HG13 . . 3.560 3.260 3.152 3.455 . 0 0 "[ . 1 . 2]" 1
647 1 32 ILE H 1 32 ILE MG . . 3.810 3.728 3.720 3.738 . 0 0 "[ . 1 . 2]" 1
648 1 32 ILE H 1 33 LEU H . . 5.190 4.541 4.408 4.624 . 0 0 "[ . 1 . 2]" 1
649 1 32 ILE HA 1 32 ILE MD . . 3.610 2.241 1.978 2.380 . 0 0 "[ . 1 . 2]" 1
650 1 32 ILE HA 1 32 ILE HG12 . . 3.820 2.943 2.819 3.195 . 0 0 "[ . 1 . 2]" 1
651 1 32 ILE HA 1 32 ILE HG13 . . 3.910 3.816 3.792 3.835 . 0 0 "[ . 1 . 2]" 1
652 1 32 ILE HA 1 32 ILE MG . . 3.470 2.270 2.212 2.405 . 0 0 "[ . 1 . 2]" 1
653 1 32 ILE HA 1 33 LEU H . . 3.160 2.195 2.176 2.248 . 0 0 "[ . 1 . 2]" 1
654 1 32 ILE HA 1 33 LEU MD1 . . 4.620 4.515 4.418 4.604 . 0 0 "[ . 1 . 2]" 1
655 1 32 ILE HA 1 34 ASN H . . 4.200 3.965 3.654 4.207 0.007 13 0 "[ . 1 . 2]" 1
656 1 32 ILE HA 1 44 GLY HA2 . . 3.980 3.197 2.811 3.419 . 0 0 "[ . 1 . 2]" 1
657 1 32 ILE HA 1 44 GLY HA3 . . 5.030 3.305 2.991 3.432 . 0 0 "[ . 1 . 2]" 1
658 1 32 ILE HA 1 45 GLU H . . 5.020 4.808 4.420 4.953 . 0 0 "[ . 1 . 2]" 1
659 1 32 ILE HB 1 32 ILE MD . . 3.560 3.180 3.162 3.215 . 0 0 "[ . 1 . 2]" 1
660 1 32 ILE HB 1 33 LEU H . . 4.850 4.242 4.044 4.400 . 0 0 "[ . 1 . 2]" 1
661 1 32 ILE MD 1 32 ILE MG . . 3.270 1.900 1.834 2.109 . 0 0 "[ . 1 . 2]" 1
662 1 32 ILE MD 1 33 LEU H . . 4.550 3.818 3.677 4.026 . 0 0 "[ . 1 . 2]" 1
663 1 32 ILE MD 1 42 TRP HB3 . . 4.720 2.706 2.270 2.944 . 0 0 "[ . 1 . 2]" 1
664 1 32 ILE MD 1 42 TRP HE3 . . 3.730 2.628 2.011 3.292 . 0 0 "[ . 1 . 2]" 1
665 1 32 ILE MD 1 53 PHE HZ . . 3.910 1.998 1.862 2.477 . 0 0 "[ . 1 . 2]" 1
666 1 32 ILE MD 1 60 GLU HA . . 5.110 4.963 4.590 5.111 0.001 16 0 "[ . 1 . 2]" 1
667 1 32 ILE MD 1 60 GLU HG2 . . 4.560 3.883 3.236 4.427 . 0 0 "[ . 1 . 2]" 1
668 1 32 ILE MD 1 60 GLU HG3 . . 4.560 4.059 3.366 4.561 0.001 10 0 "[ . 1 . 2]" 1
669 1 32 ILE HG12 1 32 ILE MG . . 3.510 3.215 3.200 3.240 . 0 0 "[ . 1 . 2]" 1
670 1 32 ILE HG13 1 32 ILE MG . . 3.550 2.541 2.329 2.622 . 0 0 "[ . 1 . 2]" 1
671 1 32 ILE MG 1 33 LEU H . . 3.800 2.666 2.238 3.111 . 0 0 "[ . 1 . 2]" 1
672 1 32 ILE MG 1 33 LEU HA . . 4.860 3.965 3.759 4.185 . 0 0 "[ . 1 . 2]" 1
673 1 32 ILE MG 1 34 ASN H . . 3.470 3.300 3.043 3.472 0.002 14 0 "[ . 1 . 2]" 1
674 1 32 ILE MG 1 35 LYS QB . . 4.560 3.415 1.849 4.115 . 0 0 "[ . 1 . 2]" 1
675 1 32 ILE MG 1 35 LYS HE2 . . 4.340 3.313 2.011 4.331 . 0 0 "[ . 1 . 2]" 1
676 1 32 ILE MG 1 35 LYS QE . . 3.780 2.851 1.874 3.781 0.001 4 0 "[ . 1 . 2]" 1
677 1 32 ILE MG 1 35 LYS HE3 . . 4.340 3.424 2.023 4.324 . 0 0 "[ . 1 . 2]" 1
678 1 32 ILE MG 1 35 LYS QG . . 4.290 2.752 1.943 4.291 0.001 16 0 "[ . 1 . 2]" 1
679 1 32 ILE MG 1 42 TRP HB2 . . 4.760 4.292 3.890 4.761 0.001 1 0 "[ . 1 . 2]" 1
680 1 32 ILE MG 1 42 TRP HB3 . . 3.930 3.000 2.625 3.432 . 0 0 "[ . 1 . 2]" 1
681 1 32 ILE MG 1 42 TRP HE1 . . 5.500 5.448 4.989 5.503 0.003 12 0 "[ . 1 . 2]" 1
682 1 32 ILE MG 1 43 ARG H . . 4.330 4.197 3.757 4.330 . 0 0 "[ . 1 . 2]" 1
683 1 32 ILE MG 1 44 GLY HA2 . . 4.970 4.614 4.176 4.855 . 0 0 "[ . 1 . 2]" 1
684 1 32 ILE MG 1 44 GLY HA3 . . 4.910 4.823 4.501 4.912 0.002 2 0 "[ . 1 . 2]" 1
685 1 33 LEU H 1 33 LEU HB2 . . 3.910 2.784 2.698 2.946 . 0 0 "[ . 1 . 2]" 1
686 1 33 LEU H 1 33 LEU QB . . 3.340 2.714 2.633 2.859 . 0 0 "[ . 1 . 2]" 1
687 1 33 LEU H 1 33 LEU HB3 . . 3.910 3.764 3.672 3.863 . 0 0 "[ . 1 . 2]" 1
688 1 33 LEU H 1 33 LEU MD1 . . 3.850 3.443 3.236 3.675 . 0 0 "[ . 1 . 2]" 1
689 1 33 LEU H 1 33 LEU MD2 . . 3.850 3.814 3.661 3.854 0.004 13 0 "[ . 1 . 2]" 1
690 1 33 LEU H 1 33 LEU HG . . 3.570 2.498 2.255 2.636 . 0 0 "[ . 1 . 2]" 1
691 1 33 LEU H 1 34 ASN H . . 3.110 2.028 1.901 2.190 . 0 0 "[ . 1 . 2]" 1
692 1 33 LEU H 1 34 ASN HB2 . . 5.130 4.589 4.338 4.836 . 0 0 "[ . 1 . 2]" 1
693 1 33 LEU H 1 34 ASN HB3 . . 5.500 5.082 4.094 5.501 0.001 1 0 "[ . 1 . 2]" 1
694 1 33 LEU H 1 43 ARG H . . 4.420 4.303 3.737 4.422 0.002 20 0 "[ . 1 . 2]" 1
695 1 33 LEU H 1 44 GLY HA2 . . 3.720 2.722 2.263 2.996 . 0 0 "[ . 1 . 2]" 1
696 1 33 LEU H 1 44 GLY HA3 . . 4.240 3.795 3.402 4.025 . 0 0 "[ . 1 . 2]" 1
697 1 33 LEU H 1 45 GLU H . . 5.430 5.276 4.740 5.435 0.005 13 0 "[ . 1 . 2]" 1
698 1 33 LEU HA 1 33 LEU MD1 . . 4.170 4.007 3.997 4.026 . 0 0 "[ . 1 . 2]" 1
699 1 33 LEU HA 1 33 LEU MD2 . . 2.900 2.599 2.509 2.666 . 0 0 "[ . 1 . 2]" 1
700 1 33 LEU HA 1 33 LEU HG . . 3.520 3.054 2.996 3.121 . 0 0 "[ . 1 . 2]" 1
701 1 33 LEU QB 1 33 LEU MD1 . . 2.980 2.063 2.011 2.103 . 0 0 "[ . 1 . 2]" 1
702 1 33 LEU QB 1 33 LEU MD2 . . 2.850 2.118 2.085 2.180 . 0 0 "[ . 1 . 2]" 1
703 1 33 LEU QB 1 34 ASN H . . 3.320 2.560 2.383 2.782 . 0 0 "[ . 1 . 2]" 1
704 1 33 LEU HB2 1 33 LEU MD1 . . 3.640 2.146 2.067 2.214 . 0 0 "[ . 1 . 2]" 1
705 1 33 LEU HB2 1 33 LEU MD2 . . 3.640 3.154 3.131 3.170 . 0 0 "[ . 1 . 2]" 1
706 1 33 LEU HB2 1 34 ASN H . . 4.180 2.597 2.409 2.834 . 0 0 "[ . 1 . 2]" 1
707 1 33 LEU HB3 1 33 LEU MD1 . . 3.640 2.679 2.616 2.748 . 0 0 "[ . 1 . 2]" 1
708 1 33 LEU HB3 1 33 LEU MD2 . . 3.640 2.152 2.116 2.222 . 0 0 "[ . 1 . 2]" 1
709 1 33 LEU HB3 1 34 ASN H . . 4.180 3.885 3.755 4.054 . 0 0 "[ . 1 . 2]" 1
710 1 33 LEU MD1 1 34 ASN H . . 4.200 3.889 3.700 4.124 . 0 0 "[ . 1 . 2]" 1
711 1 33 LEU MD1 1 44 GLY HA2 . . 4.630 2.097 1.926 2.429 . 0 0 "[ . 1 . 2]" 1
712 1 33 LEU MD1 1 45 GLU H . . 3.750 3.057 2.585 3.456 . 0 0 "[ . 1 . 2]" 1
713 1 33 LEU MD1 1 45 GLU HA . . 5.230 3.754 3.572 3.982 . 0 0 "[ . 1 . 2]" 1
714 1 33 LEU MD1 1 45 GLU HB2 . . 3.690 2.779 2.469 3.693 0.003 1 0 "[ . 1 . 2]" 1
715 1 33 LEU MD1 1 45 GLU HB3 . . 3.610 2.175 1.990 2.501 . 0 0 "[ . 1 . 2]" 1
716 1 33 LEU MD1 1 50 ILE HA . . 4.780 3.915 3.834 4.068 . 0 0 "[ . 1 . 2]" 1
717 1 33 LEU MD2 1 34 ASN H . . 4.870 4.807 4.717 4.870 . 0 0 "[ . 1 . 2]" 1
718 1 33 LEU MD2 1 44 GLY HA2 . . 4.270 3.646 3.560 3.738 . 0 0 "[ . 1 . 2]" 1
719 1 33 LEU MD2 1 44 GLY HA3 . . 4.860 4.831 4.672 4.862 0.002 6 0 "[ . 1 . 2]" 1
720 1 33 LEU MD2 1 45 GLU HB2 . . 4.780 4.352 4.169 4.782 0.002 2 0 "[ . 1 . 2]" 1
721 1 33 LEU MD2 1 45 GLU HB3 . . 3.930 3.201 2.962 3.466 . 0 0 "[ . 1 . 2]" 1
722 1 33 LEU HG 1 34 ASN H . . 4.020 3.977 3.838 4.021 0.001 12 0 "[ . 1 . 2]" 1
723 1 33 LEU HG 1 44 GLY H . . 5.170 4.897 4.606 4.994 . 0 0 "[ . 1 . 2]" 1
724 1 33 LEU HG 1 44 GLY HA2 . . 3.860 2.059 2.000 2.119 . 0 0 "[ . 1 . 2]" 1
725 1 33 LEU HG 1 44 GLY HA3 . . 4.450 3.591 3.458 3.707 . 0 0 "[ . 1 . 2]" 1
726 1 33 LEU HG 1 45 GLU H . . 3.890 3.808 3.536 3.893 0.003 9 0 "[ . 1 . 2]" 1
727 1 33 LEU HG 1 45 GLU HB3 . . 4.820 4.187 3.935 4.428 . 0 0 "[ . 1 . 2]" 1
728 1 34 ASN H 1 34 ASN HB2 . . 3.550 2.684 2.530 2.916 . 0 0 "[ . 1 . 2]" 1
729 1 34 ASN H 1 34 ASN HB3 . . 3.700 3.104 2.313 3.599 . 0 0 "[ . 1 . 2]" 1
730 1 34 ASN H 1 35 LYS H . . 4.480 4.311 2.836 4.485 0.005 9 0 "[ . 1 . 2]" 1
731 1 34 ASN H 1 42 TRP HA . . 5.500 5.134 4.779 5.504 0.004 13 0 "[ . 1 . 2]" 1
732 1 34 ASN H 1 43 ARG H . . 3.560 3.148 2.784 3.536 . 0 0 "[ . 1 . 2]" 1
733 1 34 ASN H 1 43 ARG QB . . 3.500 2.479 2.019 2.792 . 0 0 "[ . 1 . 2]" 1
734 1 34 ASN H 1 43 ARG HD2 . . 5.500 4.530 3.706 5.500 0.000 14 0 "[ . 1 . 2]" 1
735 1 34 ASN H 1 43 ARG QD . . 4.700 4.110 3.641 4.698 . 0 0 "[ . 1 . 2]" 1
736 1 34 ASN H 1 43 ARG HD3 . . 5.500 5.027 4.439 5.501 0.001 17 0 "[ . 1 . 2]" 1
737 1 34 ASN H 1 44 GLY H . . 5.500 4.981 4.752 5.291 . 0 0 "[ . 1 . 2]" 1
738 1 34 ASN H 1 44 GLY HA2 . . 4.380 3.983 3.794 4.238 . 0 0 "[ . 1 . 2]" 1
739 1 34 ASN H 1 44 GLY HA3 . . 5.500 5.093 4.851 5.274 . 0 0 "[ . 1 . 2]" 1
740 1 34 ASN HB2 1 36 LYS H . . 5.500 5.312 4.934 5.503 0.003 12 0 "[ . 1 . 2]" 1
741 1 34 ASN HB2 1 43 ARG H . . 3.980 3.845 3.283 3.981 0.001 4 0 "[ . 1 . 2]" 1
742 1 34 ASN HB2 1 43 ARG QB . . 4.360 2.037 1.890 2.255 . 0 0 "[ . 1 . 2]" 1
743 1 34 ASN HB3 1 34 ASN HD22 . . 3.950 3.546 3.444 3.941 . 0 0 "[ . 1 . 2]" 1
744 1 34 ASN HB3 1 36 LYS H . . 4.330 3.783 3.292 3.925 . 0 0 "[ . 1 . 2]" 1
745 1 34 ASN HB3 1 43 ARG H . . 4.060 3.024 2.267 4.022 . 0 0 "[ . 1 . 2]" 1
746 1 34 ASN HB3 1 43 ARG HB2 . . 4.730 2.603 2.000 3.657 . 0 0 "[ . 1 . 2]" 1
747 1 34 ASN HB3 1 43 ARG QB . . 4.110 2.246 1.802 3.107 . 0 0 "[ . 1 . 2]" 1
748 1 34 ASN HB3 1 43 ARG HB3 . . 4.730 2.512 1.996 3.567 . 0 0 "[ . 1 . 2]" 1
749 1 34 ASN HD21 1 36 LYS H . . 5.210 4.196 2.000 5.205 . 0 0 "[ . 1 . 2]" 1
750 1 35 LYS H 1 36 LYS H . . 4.250 3.581 2.825 3.955 . 0 0 "[ . 1 . 2]" 1
751 1 35 LYS HA 1 35 LYS HD2 . . 4.550 3.988 2.781 4.542 . 0 0 "[ . 1 . 2]" 1
752 1 35 LYS HA 1 35 LYS QD . . 3.730 3.355 2.398 3.655 . 0 0 "[ . 1 . 2]" 1
753 1 35 LYS HA 1 35 LYS HD3 . . 4.550 3.735 2.431 4.319 . 0 0 "[ . 1 . 2]" 1
754 1 35 LYS HA 1 35 LYS HG2 . . 3.880 2.552 2.021 3.667 . 0 0 "[ . 1 . 2]" 1
755 1 35 LYS HA 1 35 LYS HG3 . . 3.880 2.970 2.330 3.691 . 0 0 "[ . 1 . 2]" 1
756 1 35 LYS HA 1 36 LYS H . . 3.580 2.357 2.271 2.557 . 0 0 "[ . 1 . 2]" 1
757 1 35 LYS HA 1 42 TRP HA . . 3.710 2.976 2.594 3.338 . 0 0 "[ . 1 . 2]" 1
758 1 35 LYS HA 1 42 TRP HD1 . . 4.080 2.088 1.999 2.344 . 0 0 "[ . 1 . 2]" 1
759 1 35 LYS HA 1 42 TRP HE1 . . 4.170 3.656 3.077 4.006 . 0 0 "[ . 1 . 2]" 1
760 1 35 LYS QB 1 35 LYS QE . . 3.630 2.898 1.985 3.630 . 0 0 "[ . 1 . 2]" 1
761 1 35 LYS QB 1 36 LYS H . . 5.120 3.992 3.879 4.127 . 0 0 "[ . 1 . 2]" 1
762 1 35 LYS QB 1 42 TRP HB3 . . 5.340 4.901 3.588 5.341 0.001 12 0 "[ . 1 . 2]" 1
763 1 35 LYS HB2 1 42 TRP HE1 . . 5.080 4.699 4.253 5.104 0.024 13 0 "[ . 1 . 2]" 1
764 1 35 LYS HB3 1 42 TRP HE1 . . 5.080 3.698 2.530 5.079 . 0 0 "[ . 1 . 2]" 1
765 1 35 LYS QD 1 36 LYS H . . 5.340 5.160 4.352 5.343 0.003 20 0 "[ . 1 . 2]" 1
766 1 35 LYS QD 1 42 TRP HD1 . . 4.300 3.650 2.626 4.227 . 0 0 "[ . 1 . 2]" 1
767 1 35 LYS QD 1 42 TRP HE1 . . 3.330 2.651 2.271 3.078 . 0 0 "[ . 1 . 2]" 1
768 1 35 LYS HD2 1 42 TRP HE1 . . 4.110 3.147 2.409 4.111 0.001 3 0 "[ . 1 . 2]" 1
769 1 35 LYS HD3 1 42 TRP HE1 . . 4.110 3.397 2.284 4.113 0.003 9 0 "[ . 1 . 2]" 1
770 1 35 LYS QG 1 42 TRP HA . . 4.450 4.037 3.465 4.406 . 0 0 "[ . 1 . 2]" 1
771 1 35 LYS QG 1 42 TRP HE1 . . 4.710 3.054 2.055 4.645 . 0 0 "[ . 1 . 2]" 1
772 1 35 LYS HG2 1 42 TRP HE1 . . 5.430 3.524 2.646 5.074 . 0 0 "[ . 1 . 2]" 1
773 1 35 LYS HG3 1 42 TRP HE1 . . 5.430 3.997 2.074 5.400 . 0 0 "[ . 1 . 2]" 1
774 1 36 LYS H 1 36 LYS HB2 . . 3.580 2.283 2.129 2.492 . 0 0 "[ . 1 . 2]" 1
775 1 36 LYS H 1 36 LYS HB3 . . 3.580 3.499 3.426 3.550 . 0 0 "[ . 1 . 2]" 1
776 1 36 LYS H 1 36 LYS QD . . 4.870 4.070 3.506 4.633 . 0 0 "[ . 1 . 2]" 1
777 1 36 LYS H 1 36 LYS QE . . 4.800 4.554 3.815 4.801 0.001 7 0 "[ . 1 . 2]" 1
778 1 36 LYS H 1 36 LYS HG2 . . 4.590 2.688 2.008 3.201 . 0 0 "[ . 1 . 2]" 1
779 1 36 LYS H 1 36 LYS QG . . 3.720 2.498 1.992 3.012 . 0 0 "[ . 1 . 2]" 1
780 1 36 LYS H 1 36 LYS HG3 . . 4.590 3.387 2.388 3.882 . 0 0 "[ . 1 . 2]" 1
781 1 36 LYS H 1 42 TRP HA . . 4.600 3.077 2.470 3.509 . 0 0 "[ . 1 . 2]" 1
782 1 36 LYS H 1 42 TRP HD1 . . 4.680 2.710 2.142 3.673 . 0 0 "[ . 1 . 2]" 1
783 1 36 LYS HA 1 36 LYS QD . . 4.530 2.682 1.919 4.009 . 0 0 "[ . 1 . 2]" 1
784 1 36 LYS HA 1 36 LYS QE . . 4.320 3.010 1.875 4.259 . 0 0 "[ . 1 . 2]" 1
785 1 36 LYS QB 1 37 GLY H . . 4.880 3.083 1.999 3.894 . 0 0 "[ . 1 . 2]" 1
786 1 36 LYS QB 1 41 TRP H . . 4.640 3.450 3.001 4.050 . 0 0 "[ . 1 . 2]" 1
787 1 36 LYS QB 1 41 TRP HD1 . . 4.060 2.706 2.045 3.596 . 0 0 "[ . 1 . 2]" 1
788 1 36 LYS QB 1 41 TRP HE1 . . 4.800 3.244 1.997 4.484 . 0 0 "[ . 1 . 2]" 1
789 1 36 LYS QE 1 36 LYS QG . . 3.470 2.446 2.068 2.957 . 0 0 "[ . 1 . 2]" 1
790 1 36 LYS QG 1 37 GLY H . . 4.990 4.383 3.850 4.798 . 0 0 "[ . 1 . 2]" 1
791 1 36 LYS QG 1 42 TRP HA . . 5.070 4.423 3.506 5.071 0.001 9 0 "[ . 1 . 2]" 1
792 1 38 GLN HA 1 38 GLN QG . . 3.480 2.598 2.122 3.474 . 0 0 "[ . 1 . 2]" 1
793 1 39 GLN HA 1 39 GLN QG . . 3.420 2.665 2.175 3.415 . 0 0 "[ . 1 . 2]" 1
794 1 39 GLN HA 1 40 GLY H . . 3.620 2.618 2.207 3.436 . 0 0 "[ . 1 . 2]" 1
795 1 40 GLY H 1 41 TRP H . . 4.260 3.689 2.996 4.230 . 0 0 "[ . 1 . 2]" 1
796 1 40 GLY HA2 1 41 TRP H . . 3.610 3.452 3.334 3.592 . 0 0 "[ . 1 . 2]" 1
797 1 40 GLY HA3 1 41 TRP H . . 3.260 2.247 2.200 2.394 . 0 0 "[ . 1 . 2]" 1
798 1 40 GLY HA3 1 41 TRP HE1 . . 5.500 5.498 5.453 5.522 0.022 10 0 "[ . 1 . 2]" 1
799 1 41 TRP H 1 41 TRP HB2 . . 3.920 3.878 3.861 3.907 . 0 0 "[ . 1 . 2]" 1
800 1 41 TRP H 1 41 TRP QB . . 3.240 3.153 3.090 3.177 . 0 0 "[ . 1 . 2]" 1
801 1 41 TRP H 1 41 TRP HB3 . . 3.920 3.338 3.238 3.380 . 0 0 "[ . 1 . 2]" 1
802 1 41 TRP H 1 41 TRP HD1 . . 3.540 1.944 1.927 1.948 . 0 0 "[ . 1 . 2]" 1
803 1 41 TRP H 1 41 TRP HE1 . . 4.640 4.304 4.252 4.440 . 0 0 "[ . 1 . 2]" 1
804 1 41 TRP H 1 42 TRP H . . 4.400 4.354 4.083 4.386 . 0 0 "[ . 1 . 2]" 1
805 1 41 TRP H 1 42 TRP HD1 . . 4.890 4.520 4.158 4.891 0.001 6 0 "[ . 1 . 2]" 1
806 1 41 TRP H 1 54 PRO HA . . 5.390 5.081 4.945 5.394 0.004 10 0 "[ . 1 . 2]" 1
807 1 41 TRP H 1 55 SER H . . 5.330 5.321 5.167 5.336 0.006 20 0 "[ . 1 . 2]" 1
808 1 41 TRP HA 1 42 TRP H . . 3.120 2.544 2.205 2.586 . 0 0 "[ . 1 . 2]" 1
809 1 41 TRP HA 1 53 PHE H . . 4.850 4.435 4.057 4.851 0.001 14 0 "[ . 1 . 2]" 1
810 1 41 TRP HA 1 54 PRO HA . . 3.540 2.381 2.236 2.786 . 0 0 "[ . 1 . 2]" 1
811 1 41 TRP HA 1 55 SER H . . 3.600 2.953 2.808 3.306 . 0 0 "[ . 1 . 2]" 1
812 1 41 TRP QB 1 41 TRP HZ3 . . 5.200 4.644 4.599 4.650 . 0 0 "[ . 1 . 2]" 1
813 1 41 TRP QB 1 42 TRP H . . 3.710 2.413 2.296 3.431 . 0 0 "[ . 1 . 2]" 1
814 1 41 TRP QB 1 53 PHE H . . 3.890 2.584 2.223 2.939 . 0 0 "[ . 1 . 2]" 1
815 1 41 TRP HB2 1 42 TRP H . . 4.510 2.446 2.317 3.572 . 0 0 "[ . 1 . 2]" 1
816 1 41 TRP HB3 1 42 TRP H . . 4.510 3.815 3.731 4.434 . 0 0 "[ . 1 . 2]" 1
817 1 41 TRP HZ3 1 52 TRP HB2 . . 4.750 2.832 2.113 3.128 . 0 0 "[ . 1 . 2]" 1
818 1 41 TRP HZ3 1 52 TRP HB3 . . 4.170 3.463 3.052 3.846 . 0 0 "[ . 1 . 2]" 1
819 1 42 TRP H 1 42 TRP HB2 . . 3.680 2.571 2.399 2.668 . 0 0 "[ . 1 . 2]" 1
820 1 42 TRP H 1 42 TRP HB3 . . 3.810 3.687 3.594 3.771 . 0 0 "[ . 1 . 2]" 1
821 1 42 TRP H 1 43 ARG H . . 5.500 4.397 4.309 4.585 . 0 0 "[ . 1 . 2]" 1
822 1 42 TRP H 1 52 TRP HA . . 5.350 4.615 4.468 5.354 0.004 10 0 "[ . 1 . 2]" 1
823 1 42 TRP H 1 52 TRP HE3 . . 4.580 4.013 3.772 4.478 . 0 0 "[ . 1 . 2]" 1
824 1 42 TRP H 1 53 PHE H . . 3.700 2.820 2.669 3.615 . 0 0 "[ . 1 . 2]" 1
825 1 42 TRP H 1 54 PRO HA . . 4.180 3.824 3.760 4.120 . 0 0 "[ . 1 . 2]" 1
826 1 42 TRP H 1 55 SER H . . 4.530 4.517 4.337 4.540 0.010 20 0 "[ . 1 . 2]" 1
827 1 42 TRP H 1 55 SER QB . . 4.450 4.294 3.779 4.447 . 0 0 "[ . 1 . 2]" 1
828 1 42 TRP HA 1 42 TRP HD1 . . 3.420 2.116 1.997 2.331 . 0 0 "[ . 1 . 2]" 1
829 1 42 TRP HA 1 42 TRP HE1 . . 4.860 4.687 4.564 4.863 0.003 7 0 "[ . 1 . 2]" 1
830 1 42 TRP HA 1 43 ARG H . . 3.160 2.296 2.233 2.494 . 0 0 "[ . 1 . 2]" 1
831 1 42 TRP HA 1 52 TRP HE3 . . 4.370 4.146 3.747 4.375 0.005 9 0 "[ . 1 . 2]" 1
832 1 42 TRP HB2 1 42 TRP HZ3 . . 5.140 4.924 4.828 5.029 . 0 0 "[ . 1 . 2]" 1
833 1 42 TRP HB2 1 43 ARG H . . 4.290 4.172 3.639 4.297 0.007 12 0 "[ . 1 . 2]" 1
834 1 42 TRP HB2 1 53 PHE H . . 5.090 4.633 4.414 4.873 . 0 0 "[ . 1 . 2]" 1
835 1 42 TRP HB2 1 58 VAL MG2 . . 4.520 3.929 3.686 4.346 . 0 0 "[ . 1 . 2]" 1
836 1 42 TRP HB3 1 43 ARG H . . 3.500 3.055 2.480 3.283 . 0 0 "[ . 1 . 2]" 1
837 1 42 TRP HE3 1 58 VAL MG2 . . 3.400 2.750 2.319 3.382 . 0 0 "[ . 1 . 2]" 1
838 1 42 TRP HE3 1 60 GLU QG . . 4.320 3.775 3.158 4.318 . 0 0 "[ . 1 . 2]" 1
839 1 42 TRP HH2 1 60 GLU QG . . 4.700 2.624 1.987 3.670 . 0 0 "[ . 1 . 2]" 1
840 1 42 TRP HZ3 1 58 VAL MG2 . . 3.910 2.968 2.409 3.868 . 0 0 "[ . 1 . 2]" 1
841 1 43 ARG H 1 43 ARG HB2 . . 3.760 2.455 2.315 2.943 . 0 0 "[ . 1 . 2]" 1
842 1 43 ARG H 1 43 ARG HB3 . . 3.760 2.749 2.600 2.824 . 0 0 "[ . 1 . 2]" 1
843 1 43 ARG H 1 43 ARG HG2 . . 4.930 4.415 4.269 4.497 . 0 0 "[ . 1 . 2]" 1
844 1 43 ARG H 1 43 ARG QG . . 4.330 3.945 3.881 4.070 . 0 0 "[ . 1 . 2]" 1
845 1 43 ARG H 1 43 ARG HG3 . . 4.930 4.451 4.269 4.715 . 0 0 "[ . 1 . 2]" 1
846 1 43 ARG H 1 44 GLY H . . 4.850 4.382 4.110 4.617 . 0 0 "[ . 1 . 2]" 1
847 1 43 ARG H 1 52 TRP HA . . 5.410 5.088 4.755 5.267 . 0 0 "[ . 1 . 2]" 1
848 1 43 ARG H 1 52 TRP HE3 . . 4.360 4.312 3.829 4.363 0.003 10 0 "[ . 1 . 2]" 1
849 1 43 ARG HA 1 44 GLY H . . 3.100 2.255 2.226 2.418 . 0 0 "[ . 1 . 2]" 1
850 1 43 ARG HA 1 51 GLY H . . 4.960 4.708 4.503 4.898 . 0 0 "[ . 1 . 2]" 1
851 1 43 ARG HA 1 52 TRP HA . . 3.390 2.610 2.000 2.868 . 0 0 "[ . 1 . 2]" 1
852 1 43 ARG HA 1 53 PHE H . . 4.250 3.949 3.667 4.246 . 0 0 "[ . 1 . 2]" 1
853 1 43 ARG QB 1 43 ARG QD . . 3.350 2.252 2.040 2.600 . 0 0 "[ . 1 . 2]" 1
854 1 43 ARG QB 1 44 GLY H . . 4.320 3.845 3.303 4.024 . 0 0 "[ . 1 . 2]" 1
855 1 43 ARG HB2 1 44 GLY H . . 4.980 4.546 4.175 4.718 . 0 0 "[ . 1 . 2]" 1
856 1 43 ARG HB3 1 44 GLY H . . 4.980 4.155 3.462 4.417 . 0 0 "[ . 1 . 2]" 1
857 1 43 ARG QD 1 44 GLY H . . 5.340 4.375 2.420 5.334 . 0 0 "[ . 1 . 2]" 1
858 1 43 ARG QD 1 50 ILE MG . . 3.850 2.937 1.985 3.624 . 0 0 "[ . 1 . 2]" 1
859 1 43 ARG QD 1 51 GLY H . . 5.030 4.423 3.021 5.015 . 0 0 "[ . 1 . 2]" 1
860 1 43 ARG HD2 1 50 ILE MG . . 4.550 3.936 2.754 4.552 0.002 13 0 "[ . 1 . 2]" 1
861 1 43 ARG HD3 1 50 ILE MG . . 4.550 3.218 2.008 4.411 . 0 0 "[ . 1 . 2]" 1
862 1 43 ARG QG 1 44 GLY H . . 4.040 2.992 1.969 3.554 . 0 0 "[ . 1 . 2]" 1
863 1 43 ARG QG 1 51 GLY H . . 4.510 3.489 3.030 3.895 . 0 0 "[ . 1 . 2]" 1
864 1 43 ARG QG 1 52 TRP HA . . 4.480 3.505 2.939 3.772 . 0 0 "[ . 1 . 2]" 1
865 1 44 GLY H 1 45 GLU H . . 4.510 4.268 4.126 4.383 . 0 0 "[ . 1 . 2]" 1
866 1 44 GLY H 1 51 GLY H . . 4.100 3.717 3.313 4.099 . 0 0 "[ . 1 . 2]" 1
867 1 44 GLY H 1 51 GLY QA . . 5.150 4.836 4.617 5.138 . 0 0 "[ . 1 . 2]" 1
868 1 44 GLY H 1 52 TRP HA . . 4.010 3.410 2.866 3.721 . 0 0 "[ . 1 . 2]" 1
869 1 44 GLY H 1 53 PHE QD . . 4.280 3.036 2.596 3.948 . 0 0 "[ . 1 . 2]" 1
870 1 44 GLY H 1 53 PHE QE . . 3.960 2.332 1.952 2.881 . 0 0 "[ . 1 . 2]" 1
871 1 44 GLY HA2 1 45 GLU H . . 3.300 2.839 2.672 2.993 . 0 0 "[ . 1 . 2]" 1
872 1 44 GLY HA2 1 53 PHE QE . . 4.450 3.522 3.296 3.725 . 0 0 "[ . 1 . 2]" 1
873 1 44 GLY HA3 1 45 GLU H . . 3.450 2.427 2.314 2.568 . 0 0 "[ . 1 . 2]" 1
874 1 44 GLY HA3 1 53 PHE QE . . 4.720 2.246 1.998 2.568 . 0 0 "[ . 1 . 2]" 1
875 1 45 GLU H 1 45 GLU HB2 . . 3.930 3.708 3.606 3.931 0.001 2 0 "[ . 1 . 2]" 1
876 1 45 GLU H 1 45 GLU HB3 . . 3.280 2.940 2.807 3.082 . 0 0 "[ . 1 . 2]" 1
877 1 45 GLU H 1 45 GLU QG . . 4.710 3.787 2.560 4.269 . 0 0 "[ . 1 . 2]" 1
878 1 45 GLU H 1 46 ILE H . . 4.800 4.345 4.261 4.424 . 0 0 "[ . 1 . 2]" 1
879 1 45 GLU HA 1 45 GLU HG2 . . 4.090 3.239 2.700 3.589 . 0 0 "[ . 1 . 2]" 1
880 1 45 GLU HA 1 45 GLU QG . . 3.540 2.758 2.639 3.292 . 0 0 "[ . 1 . 2]" 1
881 1 45 GLU HA 1 45 GLU HG3 . . 4.090 3.193 2.793 3.883 . 0 0 "[ . 1 . 2]" 1
882 1 45 GLU HA 1 46 ILE H . . 2.880 2.435 2.352 2.554 . 0 0 "[ . 1 . 2]" 1
883 1 45 GLU HA 1 46 ILE MG . . 5.410 5.310 5.275 5.347 . 0 0 "[ . 1 . 2]" 1
884 1 45 GLU HA 1 49 ARG H . . 5.420 4.497 4.240 4.856 . 0 0 "[ . 1 . 2]" 1
885 1 45 GLU HA 1 50 ILE H . . 4.870 4.769 4.700 4.841 . 0 0 "[ . 1 . 2]" 1
886 1 45 GLU HA 1 50 ILE HA . . 3.430 2.497 2.405 2.527 . 0 0 "[ . 1 . 2]" 1
887 1 45 GLU HA 1 50 ILE HB . . 5.500 5.499 5.399 5.529 0.029 6 0 "[ . 1 . 2]" 1
888 1 45 GLU HA 1 50 ILE MD . . 3.830 3.566 3.344 3.626 . 0 0 "[ . 1 . 2]" 1
889 1 45 GLU HA 1 50 ILE HG12 . . 5.400 4.503 4.331 4.596 . 0 0 "[ . 1 . 2]" 1
890 1 45 GLU HA 1 50 ILE MG . . 4.240 4.054 3.992 4.095 . 0 0 "[ . 1 . 2]" 1
891 1 45 GLU HA 1 51 GLY H . . 4.010 3.750 3.637 3.877 . 0 0 "[ . 1 . 2]" 1
892 1 45 GLU HB2 1 46 ILE H . . 3.800 3.538 2.555 3.805 0.005 5 0 "[ . 1 . 2]" 1
893 1 45 GLU HB2 1 50 ILE HA . . 4.210 2.299 2.165 2.761 . 0 0 "[ . 1 . 2]" 1
894 1 45 GLU HB2 1 50 ILE MD . . 4.080 1.891 1.801 2.483 . 0 0 "[ . 1 . 2]" 1
895 1 45 GLU HB2 1 50 ILE HG12 . . 4.250 2.904 2.685 2.980 . 0 0 "[ . 1 . 2]" 1
896 1 45 GLU HB2 1 50 ILE HG13 . . 4.680 4.101 4.011 4.343 . 0 0 "[ . 1 . 2]" 1
897 1 45 GLU HB2 1 50 ILE MG . . 4.400 3.351 3.202 4.160 . 0 0 "[ . 1 . 2]" 1
898 1 45 GLU HB3 1 45 GLU QG . . 2.620 2.443 2.394 2.556 . 0 0 "[ . 1 . 2]" 1
899 1 45 GLU HB3 1 50 ILE HA . . 3.960 3.778 2.916 3.966 0.006 20 0 "[ . 1 . 2]" 1
900 1 45 GLU HB3 1 50 ILE MD . . 3.840 2.538 1.773 2.687 . 0 0 "[ . 1 . 2]" 1
901 1 45 GLU HB3 1 50 ILE HG12 . . 4.640 4.207 3.283 4.401 . 0 0 "[ . 1 . 2]" 1
902 1 45 GLU HB3 1 50 ILE HG13 . . 5.430 5.273 4.284 5.448 0.018 6 0 "[ . 1 . 2]" 1
903 1 45 GLU HB3 1 50 ILE MG . . 4.490 4.363 3.491 4.505 0.015 20 0 "[ . 1 . 2]" 1
904 1 45 GLU QG 1 46 ILE H . . 3.280 2.072 1.875 2.976 . 0 0 "[ . 1 . 2]" 1
905 1 45 GLU QG 1 46 ILE HA . . 4.220 3.222 2.987 3.745 . 0 0 "[ . 1 . 2]" 1
906 1 45 GLU QG 1 46 ILE MG . . 5.340 4.614 4.452 4.973 . 0 0 "[ . 1 . 2]" 1
907 1 45 GLU QG 1 47 TYR H . . 4.810 3.998 3.675 4.473 . 0 0 "[ . 1 . 2]" 1
908 1 45 GLU QG 1 48 GLY H . . 3.600 2.526 2.274 2.824 . 0 0 "[ . 1 . 2]" 1
909 1 45 GLU QG 1 49 ARG H . . 3.800 2.512 2.021 3.801 0.001 17 0 "[ . 1 . 2]" 1
910 1 45 GLU QG 1 50 ILE HA . . 4.900 3.390 3.110 4.573 . 0 0 "[ . 1 . 2]" 1
911 1 45 GLU QG 1 50 ILE MD . . 3.380 3.018 2.427 3.388 0.008 2 0 "[ . 1 . 2]" 1
912 1 45 GLU QG 1 50 ILE HG12 . . 4.870 3.240 2.551 4.550 . 0 0 "[ . 1 . 2]" 1
913 1 45 GLU QG 1 50 ILE MG . . 5.340 4.651 4.326 5.296 . 0 0 "[ . 1 . 2]" 1
914 1 45 GLU HG2 1 46 ILE H . . 3.780 2.542 1.949 3.706 . 0 0 "[ . 1 . 2]" 1
915 1 45 GLU HG2 1 48 GLY H . . 4.310 2.861 2.385 4.317 0.007 17 0 "[ . 1 . 2]" 1
916 1 45 GLU HG2 1 50 ILE MD . . 3.970 3.811 3.593 3.961 . 0 0 "[ . 1 . 2]" 1
917 1 45 GLU HG3 1 46 ILE H . . 3.780 2.573 1.946 3.700 . 0 0 "[ . 1 . 2]" 1
918 1 45 GLU HG3 1 48 GLY H . . 4.310 3.071 2.750 3.404 . 0 0 "[ . 1 . 2]" 1
919 1 45 GLU HG3 1 50 ILE MD . . 3.970 3.188 2.466 3.726 . 0 0 "[ . 1 . 2]" 1
920 1 46 ILE H 1 46 ILE HB . . 3.180 2.760 2.640 2.863 . 0 0 "[ . 1 . 2]" 1
921 1 46 ILE H 1 46 ILE HG13 . . 4.030 3.766 3.614 3.886 . 0 0 "[ . 1 . 2]" 1
922 1 46 ILE H 1 46 ILE MG . . 3.760 3.672 3.594 3.706 . 0 0 "[ . 1 . 2]" 1
923 1 46 ILE H 1 49 ARG H . . 3.630 2.444 2.162 2.927 . 0 0 "[ . 1 . 2]" 1
924 1 46 ILE H 1 49 ARG HB3 . . 4.530 4.115 3.935 4.310 . 0 0 "[ . 1 . 2]" 1
925 1 46 ILE H 1 50 ILE HA . . 4.100 3.963 3.895 4.025 . 0 0 "[ . 1 . 2]" 1
926 1 46 ILE HA 1 46 ILE MD . . 3.690 3.603 3.580 3.641 . 0 0 "[ . 1 . 2]" 1
927 1 46 ILE HA 1 46 ILE HG12 . . 3.460 2.173 2.147 2.200 . 0 0 "[ . 1 . 2]" 1
928 1 46 ILE HA 1 46 ILE HG13 . . 3.540 2.990 2.895 3.043 . 0 0 "[ . 1 . 2]" 1
929 1 46 ILE HA 1 46 ILE MG . . 3.410 2.662 2.627 2.696 . 0 0 "[ . 1 . 2]" 1
930 1 46 ILE HA 1 47 TYR H . . 2.980 2.196 2.181 2.226 . 0 0 "[ . 1 . 2]" 1
931 1 46 ILE HB 1 46 ILE MD . . 3.460 2.541 2.488 2.581 . 0 0 "[ . 1 . 2]" 1
932 1 46 ILE HB 1 47 TYR H . . 4.530 4.446 4.359 4.511 . 0 0 "[ . 1 . 2]" 1
933 1 46 ILE MD 1 46 ILE MG . . 2.630 1.826 1.800 1.853 . 0 0 "[ . 1 . 2]" 1
934 1 46 ILE MD 1 47 TYR H . . 4.710 4.666 4.539 4.719 0.009 17 0 "[ . 1 . 2]" 1
935 1 46 ILE HG12 1 46 ILE MG . . 3.020 2.649 2.612 2.672 . 0 0 "[ . 1 . 2]" 1
936 1 46 ILE HG12 1 47 TYR H . . 4.080 3.911 3.839 3.982 . 0 0 "[ . 1 . 2]" 1
937 1 46 ILE HG13 1 46 ILE MG . . 3.710 3.206 3.199 3.218 . 0 0 "[ . 1 . 2]" 1
938 1 46 ILE HG13 1 47 TYR H . . 5.100 5.051 4.957 5.102 0.002 13 0 "[ . 1 . 2]" 1
939 1 46 ILE MG 1 47 TYR H . . 3.450 2.814 2.602 2.964 . 0 0 "[ . 1 . 2]" 1
940 1 46 ILE MG 1 47 TYR HB2 . . 4.120 2.792 2.222 2.938 . 0 0 "[ . 1 . 2]" 1
941 1 46 ILE MG 1 47 TYR HB3 . . 4.150 3.875 3.786 3.925 . 0 0 "[ . 1 . 2]" 1
942 1 46 ILE MG 1 47 TYR QD . . 4.320 2.488 2.239 2.939 . 0 0 "[ . 1 . 2]" 1
943 1 46 ILE MG 1 49 ARG HB2 . . 4.040 3.660 3.426 3.791 . 0 0 "[ . 1 . 2]" 1
944 1 46 ILE MG 1 49 ARG HB3 . . 5.500 5.065 4.835 5.227 . 0 0 "[ . 1 . 2]" 1
945 1 47 TYR H 1 47 TYR HB2 . . 4.050 3.577 3.221 3.662 . 0 0 "[ . 1 . 2]" 1
946 1 47 TYR H 1 47 TYR QD . . 4.560 2.236 1.949 2.916 . 0 0 "[ . 1 . 2]" 1
947 1 47 TYR H 1 48 GLY H . . 3.960 2.708 2.674 2.755 . 0 0 "[ . 1 . 2]" 1
948 1 47 TYR HA 1 47 TYR QD . . 3.640 2.148 2.036 2.206 . 0 0 "[ . 1 . 2]" 1
949 1 47 TYR HA 1 48 GLY H . . 3.240 3.089 3.028 3.149 . 0 0 "[ . 1 . 2]" 1
950 1 47 TYR HA 1 48 GLY QA . . 4.420 4.092 4.072 4.112 . 0 0 "[ . 1 . 2]" 1
951 1 47 TYR HA 1 49 ARG H . . 4.830 4.448 4.278 4.656 . 0 0 "[ . 1 . 2]" 1
952 1 47 TYR HB2 1 48 GLY H . . 3.990 3.908 3.809 4.000 0.010 18 0 "[ . 1 . 2]" 1
953 1 47 TYR HB3 1 48 GLY H . . 4.750 4.517 4.286 4.568 . 0 0 "[ . 1 . 2]" 1
954 1 47 TYR HB3 1 49 ARG H . . 5.240 4.629 4.258 4.833 . 0 0 "[ . 1 . 2]" 1
955 1 47 TYR QD 1 48 GLY H . . 5.370 4.426 4.286 4.730 . 0 0 "[ . 1 . 2]" 1
956 1 48 GLY H 1 49 ARG H . . 3.330 2.354 2.243 2.505 . 0 0 "[ . 1 . 2]" 1
957 1 48 GLY H 1 49 ARG HB2 . . 4.750 4.580 4.370 4.755 0.005 20 0 "[ . 1 . 2]" 1
958 1 48 GLY H 1 50 ILE MD . . 5.500 5.431 4.991 5.524 0.024 12 0 "[ . 1 . 2]" 1
959 1 49 ARG H 1 49 ARG HB2 . . 3.310 2.417 2.193 2.522 . 0 0 "[ . 1 . 2]" 1
960 1 49 ARG H 1 49 ARG QD . . 4.610 4.051 2.043 4.612 0.002 16 0 "[ . 1 . 2]" 1
961 1 49 ARG H 1 49 ARG HG2 . . 4.220 3.585 3.061 4.266 0.046 18 0 "[ . 1 . 2]" 1
962 1 49 ARG H 1 49 ARG QG . . 3.350 2.824 2.323 3.352 0.002 18 0 "[ . 1 . 2]" 1
963 1 49 ARG H 1 49 ARG HG3 . . 4.220 3.056 2.352 4.054 . 0 0 "[ . 1 . 2]" 1
964 1 49 ARG HA 1 49 ARG QD . . 4.370 3.573 2.503 4.076 . 0 0 "[ . 1 . 2]" 1
965 1 49 ARG HA 1 49 ARG HG2 . . 4.020 2.538 2.291 3.482 . 0 0 "[ . 1 . 2]" 1
966 1 49 ARG HA 1 49 ARG QG . . 3.440 2.304 2.201 2.473 . 0 0 "[ . 1 . 2]" 1
967 1 49 ARG HA 1 49 ARG HG3 . . 4.020 3.149 2.226 3.620 . 0 0 "[ . 1 . 2]" 1
968 1 49 ARG HA 1 50 ILE H . . 2.650 2.226 2.225 2.229 . 0 0 "[ . 1 . 2]" 1
969 1 49 ARG HB2 1 49 ARG QD . . 3.340 2.708 2.173 3.245 . 0 0 "[ . 1 . 2]" 1
970 1 49 ARG HB2 1 50 ILE H . . 4.510 4.436 4.303 4.518 0.008 16 0 "[ . 1 . 2]" 1
971 1 49 ARG HB3 1 50 ILE H . . 3.910 3.618 3.531 3.691 . 0 0 "[ . 1 . 2]" 1
972 1 49 ARG HB3 1 50 ILE HA . . 5.500 4.834 4.675 4.915 . 0 0 "[ . 1 . 2]" 1
973 1 49 ARG QD 1 50 ILE H . . 5.500 4.998 3.593 5.521 0.021 20 0 "[ . 1 . 2]" 1
974 1 49 ARG QG 1 50 ILE H . . 4.340 4.250 4.095 4.349 0.009 12 0 "[ . 1 . 2]" 1
975 1 50 ILE H 1 50 ILE HB . . 2.950 2.423 2.372 2.465 . 0 0 "[ . 1 . 2]" 1
976 1 50 ILE H 1 50 ILE MD . . 4.060 3.833 3.725 3.929 . 0 0 "[ . 1 . 2]" 1
977 1 50 ILE H 1 50 ILE HG12 . . 3.220 2.363 2.263 2.493 . 0 0 "[ . 1 . 2]" 1
978 1 50 ILE H 1 50 ILE HG13 . . 3.610 3.372 3.324 3.459 . 0 0 "[ . 1 . 2]" 1
979 1 50 ILE H 1 50 ILE MG . . 3.900 3.740 3.721 3.757 . 0 0 "[ . 1 . 2]" 1
980 1 50 ILE H 1 51 GLY H . . 4.610 4.607 4.591 4.612 0.002 11 0 "[ . 1 . 2]" 1
981 1 50 ILE HA 1 50 ILE MD . . 3.260 2.406 2.309 2.446 . 0 0 "[ . 1 . 2]" 1
982 1 50 ILE HA 1 50 ILE HG12 . . 3.730 2.754 2.680 2.872 . 0 0 "[ . 1 . 2]" 1
983 1 50 ILE HA 1 50 ILE MG . . 3.320 2.324 2.277 2.378 . 0 0 "[ . 1 . 2]" 1
984 1 50 ILE HA 1 51 GLY H . . 2.950 2.389 2.351 2.433 . 0 0 "[ . 1 . 2]" 1
985 1 50 ILE HB 1 50 ILE MD . . 3.200 3.153 3.144 3.171 . 0 0 "[ . 1 . 2]" 1
986 1 50 ILE HB 1 50 ILE HG12 . . 2.730 2.634 2.589 2.654 . 0 0 "[ . 1 . 2]" 1
987 1 50 ILE HB 1 51 GLY H . . 3.840 3.804 3.710 3.844 0.004 7 0 "[ . 1 . 2]" 1
988 1 50 ILE MD 1 50 ILE MG . . 2.400 1.825 1.804 1.881 . 0 0 "[ . 1 . 2]" 1
989 1 50 ILE MD 1 51 GLY H . . 3.720 3.460 3.334 3.559 . 0 0 "[ . 1 . 2]" 1
990 1 50 ILE HG12 1 50 ILE MG . . 3.370 3.199 3.191 3.213 . 0 0 "[ . 1 . 2]" 1
991 1 50 ILE HG12 1 51 GLY H . . 5.500 4.806 4.738 4.899 . 0 0 "[ . 1 . 2]" 1
992 1 50 ILE HG13 1 50 ILE MG . . 3.200 2.625 2.554 2.656 . 0 0 "[ . 1 . 2]" 1
993 1 50 ILE MG 1 51 GLY H . . 3.160 1.927 1.875 2.035 . 0 0 "[ . 1 . 2]" 1
994 1 50 ILE MG 1 51 GLY QA . . 3.880 3.132 3.054 3.263 . 0 0 "[ . 1 . 2]" 1
995 1 51 GLY H 1 52 TRP H . . 4.590 4.354 4.330 4.377 . 0 0 "[ . 1 . 2]" 1
996 1 51 GLY QA 1 52 TRP H . . 3.200 2.311 2.279 2.333 . 0 0 "[ . 1 . 2]" 1
997 1 52 TRP H 1 52 TRP HB2 . . 3.860 2.630 2.540 2.702 . 0 0 "[ . 1 . 2]" 1
998 1 52 TRP H 1 52 TRP HB3 . . 4.030 3.752 3.699 3.795 . 0 0 "[ . 1 . 2]" 1
999 1 52 TRP H 1 52 TRP HD1 . . 3.680 2.967 2.656 3.075 . 0 0 "[ . 1 . 2]" 1
1000 1 52 TRP H 1 52 TRP HE1 . . 5.500 5.467 5.277 5.508 0.008 9 0 "[ . 1 . 2]" 1
1001 1 52 TRP H 1 53 PHE H . . 5.020 4.436 4.373 4.489 . 0 0 "[ . 1 . 2]" 1
1002 1 52 TRP HA 1 53 PHE H . . 2.980 2.427 2.292 2.720 . 0 0 "[ . 1 . 2]" 1
1003 1 52 TRP HA 1 53 PHE QE . . 4.780 4.282 3.714 4.656 . 0 0 "[ . 1 . 2]" 1
1004 1 52 TRP HB2 1 53 PHE H . . 4.080 3.795 3.179 4.074 . 0 0 "[ . 1 . 2]" 1
1005 1 52 TRP HB3 1 52 TRP HZ3 . . 4.900 4.830 4.786 4.876 . 0 0 "[ . 1 . 2]" 1
1006 1 52 TRP HB3 1 53 PHE H . . 3.790 2.669 2.086 3.015 . 0 0 "[ . 1 . 2]" 1
1007 1 53 PHE H 1 53 PHE HB3 . . 4.150 3.348 3.146 3.580 . 0 0 "[ . 1 . 2]" 1
1008 1 53 PHE H 1 53 PHE QD . . 3.930 2.716 2.456 3.377 . 0 0 "[ . 1 . 2]" 1
1009 1 53 PHE H 1 53 PHE QE . . 4.640 4.278 4.094 4.640 . 0 0 "[ . 1 . 2]" 1
1010 1 53 PHE H 1 54 PRO HD2 . . 5.230 4.972 4.955 4.992 . 0 0 "[ . 1 . 2]" 1
1011 1 53 PHE H 1 54 PRO HD3 . . 4.570 4.544 4.446 4.591 0.021 9 0 "[ . 1 . 2]" 1
1012 1 53 PHE HA 1 53 PHE QD . . 4.230 3.748 3.735 3.759 . 0 0 "[ . 1 . 2]" 1
1013 1 53 PHE HA 1 54 PRO HD2 . . 3.670 2.687 2.619 2.812 . 0 0 "[ . 1 . 2]" 1
1014 1 53 PHE HA 1 54 PRO HD3 . . 3.570 1.988 1.959 2.057 . 0 0 "[ . 1 . 2]" 1
1015 1 53 PHE HA 1 54 PRO QG . . 4.500 3.932 3.901 3.996 . 0 0 "[ . 1 . 2]" 1
1016 1 53 PHE HB2 1 54 PRO HD2 . . 4.090 2.254 2.009 2.396 . 0 0 "[ . 1 . 2]" 1
1017 1 53 PHE HB2 1 54 PRO HD3 . . 4.090 3.253 3.057 3.366 . 0 0 "[ . 1 . 2]" 1
1018 1 53 PHE HB2 1 54 PRO QG . . 4.570 4.176 3.956 4.303 . 0 0 "[ . 1 . 2]" 1
1019 1 53 PHE HB3 1 54 PRO HD2 . . 3.980 3.672 3.394 3.818 . 0 0 "[ . 1 . 2]" 1
1020 1 53 PHE QD 1 54 PRO HA . . 4.710 4.518 4.165 4.603 . 0 0 "[ . 1 . 2]" 1
1021 1 53 PHE QD 1 55 SER H . . 5.110 5.036 4.648 5.112 0.002 15 0 "[ . 1 . 2]" 1
1022 1 53 PHE QD 1 55 SER HA . . 4.400 3.697 3.461 3.752 . 0 0 "[ . 1 . 2]" 1
1023 1 53 PHE QD 1 58 VAL MG1 . . 3.890 2.046 1.789 2.631 . 0 0 "[ . 1 . 2]" 1
1024 1 53 PHE QD 1 58 VAL MG2 . . 3.830 2.167 1.979 2.555 . 0 0 "[ . 1 . 2]" 1
1025 1 53 PHE QE 1 55 SER HA . . 4.150 3.612 3.298 3.919 . 0 0 "[ . 1 . 2]" 1
1026 1 53 PHE QE 1 58 VAL MG1 . . 3.890 2.740 2.376 3.144 . 0 0 "[ . 1 . 2]" 1
1027 1 53 PHE QE 1 58 VAL MG2 . . 3.440 1.849 1.772 2.341 . 0 0 "[ . 1 . 2]" 1
1028 1 53 PHE HZ 1 58 VAL MG2 . . 4.320 3.791 3.615 4.319 . 0 0 "[ . 1 . 2]" 1
1029 1 54 PRO HA 1 55 SER H . . 3.020 2.254 2.243 2.261 . 0 0 "[ . 1 . 2]" 1
1030 1 54 PRO HA 1 55 SER HA . . 4.970 4.202 4.196 4.209 . 0 0 "[ . 1 . 2]" 1
1031 1 54 PRO HA 1 55 SER QB . . 4.890 4.128 4.013 4.253 . 0 0 "[ . 1 . 2]" 1
1032 1 54 PRO HA 1 56 ASN H . . 4.550 3.591 3.572 3.605 . 0 0 "[ . 1 . 2]" 1
1033 1 54 PRO HB2 1 55 SER H . . 4.450 3.219 3.197 3.256 . 0 0 "[ . 1 . 2]" 1
1034 1 54 PRO HB2 1 56 ASN H . . 4.580 2.188 2.133 2.347 . 0 0 "[ . 1 . 2]" 1
1035 1 54 PRO HB2 1 57 TYR H . . 4.010 3.081 2.948 3.184 . 0 0 "[ . 1 . 2]" 1
1036 1 54 PRO HB2 1 57 TYR QE . . 4.530 4.215 3.411 4.515 . 0 0 "[ . 1 . 2]" 1
1037 1 54 PRO HB3 1 55 SER H . . 4.050 3.681 3.668 3.704 . 0 0 "[ . 1 . 2]" 1
1038 1 54 PRO HB3 1 56 ASN H . . 4.680 3.691 3.686 3.730 . 0 0 "[ . 1 . 2]" 1
1039 1 54 PRO HB3 1 57 TYR H . . 4.830 4.763 4.651 4.832 0.002 10 0 "[ . 1 . 2]" 1
1040 1 54 PRO HD2 1 57 TYR H . . 4.930 4.482 4.328 4.737 . 0 0 "[ . 1 . 2]" 1
1041 1 54 PRO HD2 1 57 TYR HB2 . . 5.490 2.969 2.599 3.314 . 0 0 "[ . 1 . 2]" 1
1042 1 54 PRO HD2 1 57 TYR HB3 . . 4.640 3.996 3.457 4.422 . 0 0 "[ . 1 . 2]" 1
1043 1 54 PRO QG 1 55 SER H . . 4.850 4.701 4.690 4.721 . 0 0 "[ . 1 . 2]" 1
1044 1 54 PRO HG2 1 55 SER H . . 5.500 5.097 5.083 5.120 . 0 0 "[ . 1 . 2]" 1
1045 1 54 PRO HG3 1 55 SER H . . 5.500 5.514 5.503 5.534 0.034 20 0 "[ . 1 . 2]" 1
1046 1 55 SER H 1 55 SER HB2 . . 3.700 3.454 2.758 3.614 . 0 0 "[ . 1 . 2]" 1
1047 1 55 SER H 1 55 SER QB . . 3.210 2.392 2.135 2.628 . 0 0 "[ . 1 . 2]" 1
1048 1 55 SER H 1 55 SER HB3 . . 3.700 2.442 2.188 2.699 . 0 0 "[ . 1 . 2]" 1
1049 1 55 SER H 1 56 ASN H . . 3.840 2.522 2.388 2.586 . 0 0 "[ . 1 . 2]" 1
1050 1 55 SER HA 1 57 TYR H . . 3.890 3.493 3.353 3.596 . 0 0 "[ . 1 . 2]" 1
1051 1 55 SER HA 1 58 VAL H . . 4.080 3.365 3.061 3.934 . 0 0 "[ . 1 . 2]" 1
1052 1 55 SER HA 1 58 VAL MG1 . . 4.420 3.813 3.445 4.295 . 0 0 "[ . 1 . 2]" 1
1053 1 55 SER HA 1 58 VAL MG2 . . 3.730 1.968 1.776 2.473 . 0 0 "[ . 1 . 2]" 1
1054 1 55 SER QB 1 57 TYR H . . 5.340 4.869 4.723 4.951 . 0 0 "[ . 1 . 2]" 1
1055 1 55 SER HB2 1 56 ASN H . . 4.750 4.537 4.404 4.594 . 0 0 "[ . 1 . 2]" 1
1056 1 55 SER HB3 1 56 ASN H . . 4.750 4.226 3.715 4.456 . 0 0 "[ . 1 . 2]" 1
1057 1 56 ASN H 1 56 ASN HB2 . . 4.130 2.459 2.196 2.755 . 0 0 "[ . 1 . 2]" 1
1058 1 56 ASN H 1 56 ASN QB . . 3.380 2.416 2.173 2.676 . 0 0 "[ . 1 . 2]" 1
1059 1 56 ASN H 1 56 ASN HB3 . . 4.130 3.579 3.454 3.677 . 0 0 "[ . 1 . 2]" 1
1060 1 56 ASN H 1 56 ASN HD21 . . 4.870 3.585 2.469 4.609 . 0 0 "[ . 1 . 2]" 1
1061 1 56 ASN H 1 56 ASN QD . . 4.200 3.364 2.436 4.153 . 0 0 "[ . 1 . 2]" 1
1062 1 56 ASN H 1 56 ASN HD22 . . 4.870 4.303 3.747 4.858 . 0 0 "[ . 1 . 2]" 1
1063 1 56 ASN H 1 57 TYR H . . 3.310 2.191 2.128 2.424 . 0 0 "[ . 1 . 2]" 1
1064 1 56 ASN H 1 57 TYR HB2 . . 4.640 3.848 3.660 4.177 . 0 0 "[ . 1 . 2]" 1
1065 1 56 ASN H 1 57 TYR QD . . 4.750 3.188 2.640 3.375 . 0 0 "[ . 1 . 2]" 1
1066 1 56 ASN H 1 58 VAL H . . 4.680 3.804 3.595 4.233 . 0 0 "[ . 1 . 2]" 1
1067 1 56 ASN HA 1 58 VAL H . . 5.250 3.846 3.624 4.007 . 0 0 "[ . 1 . 2]" 1
1068 1 56 ASN QB 1 57 TYR H . . 4.370 3.268 3.115 3.496 . 0 0 "[ . 1 . 2]" 1
1069 1 57 TYR H 1 57 TYR HB2 . . 3.220 2.183 2.117 2.336 . 0 0 "[ . 1 . 2]" 1
1070 1 57 TYR H 1 57 TYR HB3 . . 3.710 3.446 3.384 3.568 . 0 0 "[ . 1 . 2]" 1
1071 1 57 TYR H 1 57 TYR QD . . 3.480 2.685 2.198 2.903 . 0 0 "[ . 1 . 2]" 1
1072 1 57 TYR H 1 58 VAL H . . 2.960 2.171 1.912 2.665 . 0 0 "[ . 1 . 2]" 1
1073 1 57 TYR H 1 58 VAL HB . . 5.500 5.491 5.377 5.506 0.006 9 0 "[ . 1 . 2]" 1
1074 1 57 TYR H 1 58 VAL MG1 . . 3.860 3.475 3.155 3.823 . 0 0 "[ . 1 . 2]" 1
1075 1 57 TYR H 1 58 VAL MG2 . . 4.010 3.307 3.071 3.497 . 0 0 "[ . 1 . 2]" 1
1076 1 57 TYR HA 1 58 VAL H . . 3.420 3.302 2.985 3.419 . 0 0 "[ . 1 . 2]" 1
1077 1 57 TYR HB2 1 58 VAL H . . 4.060 3.543 3.294 4.054 . 0 0 "[ . 1 . 2]" 1
1078 1 57 TYR HB2 1 58 VAL MG1 . . 4.490 3.093 2.855 3.420 . 0 0 "[ . 1 . 2]" 1
1079 1 57 TYR HB3 1 58 VAL H . . 4.530 4.092 3.930 4.487 . 0 0 "[ . 1 . 2]" 1
1080 1 57 TYR HB3 1 58 VAL MG1 . . 4.290 3.216 2.795 3.434 . 0 0 "[ . 1 . 2]" 1
1081 1 57 TYR QD 1 58 VAL H . . 4.790 4.514 4.344 4.703 . 0 0 "[ . 1 . 2]" 1
1082 1 58 VAL H 1 58 VAL HB . . 4.160 3.789 3.681 3.944 . 0 0 "[ . 1 . 2]" 1
1083 1 58 VAL H 1 58 VAL MG1 . . 3.500 2.931 2.720 3.204 . 0 0 "[ . 1 . 2]" 1
1084 1 58 VAL H 1 58 VAL MG2 . . 3.120 2.172 1.912 2.499 . 0 0 "[ . 1 . 2]" 1
1085 1 58 VAL H 1 59 GLU H . . 4.570 4.425 4.362 4.487 . 0 0 "[ . 1 . 2]" 1
1086 1 58 VAL HA 1 58 VAL MG1 . . 3.410 2.313 2.160 2.413 . 0 0 "[ . 1 . 2]" 1
1087 1 58 VAL HA 1 59 GLU H . . 3.020 2.551 2.400 2.707 . 0 0 "[ . 1 . 2]" 1
1088 1 58 VAL HA 1 59 GLU HA . . 4.850 4.393 4.280 4.516 . 0 0 "[ . 1 . 2]" 1
1089 1 58 VAL HB 1 59 GLU H . . 2.970 2.354 2.060 2.642 . 0 0 "[ . 1 . 2]" 1
1090 1 58 VAL MG1 1 59 GLU H . . 3.910 3.745 3.523 3.911 0.001 10 0 "[ . 1 . 2]" 1
1091 1 58 VAL MG2 1 59 GLU H . . 3.740 3.335 2.895 3.723 . 0 0 "[ . 1 . 2]" 1
1092 1 58 VAL MG2 1 59 GLU HA . . 4.330 3.866 3.569 4.332 0.002 16 0 "[ . 1 . 2]" 1
1093 1 58 VAL MG2 1 60 GLU QG . . 5.250 3.608 3.195 4.124 . 0 0 "[ . 1 . 2]" 1
1094 1 59 GLU H 1 59 GLU HB2 . . 3.910 2.565 2.205 2.908 . 0 0 "[ . 1 . 2]" 1
1095 1 59 GLU H 1 59 GLU HB3 . . 3.950 3.678 3.477 3.908 . 0 0 "[ . 1 . 2]" 1
1096 1 59 GLU H 1 59 GLU HG2 . . 4.320 3.697 2.877 4.225 . 0 0 "[ . 1 . 2]" 1
1097 1 59 GLU H 1 59 GLU QG . . 3.590 3.131 2.617 3.452 . 0 0 "[ . 1 . 2]" 1
1098 1 59 GLU H 1 59 GLU HG3 . . 4.320 3.658 2.656 4.320 . 0 0 "[ . 1 . 2]" 1
1099 1 59 GLU H 1 60 GLU H . . 4.670 4.369 4.139 4.519 . 0 0 "[ . 1 . 2]" 1
1100 1 59 GLU HA 1 59 GLU HG2 . . 4.090 2.446 2.074 3.041 . 0 0 "[ . 1 . 2]" 1
1101 1 59 GLU HA 1 59 GLU QG . . 3.580 2.376 2.043 2.917 . 0 0 "[ . 1 . 2]" 1
1102 1 59 GLU HA 1 59 GLU HG3 . . 4.090 3.293 2.816 3.817 . 0 0 "[ . 1 . 2]" 1
1103 1 59 GLU HA 1 60 GLU H . . 2.870 2.450 2.211 2.688 . 0 0 "[ . 1 . 2]" 1
1104 1 59 GLU HB2 1 60 GLU H . . 4.290 3.932 3.469 4.293 0.003 17 0 "[ . 1 . 2]" 1
1105 1 59 GLU HB3 1 60 GLU H . . 3.430 2.734 2.082 3.431 0.001 18 0 "[ . 1 . 2]" 1
1106 1 60 GLU H 1 60 GLU HB2 . . 3.990 3.134 2.425 3.746 . 0 0 "[ . 1 . 2]" 1
1107 1 60 GLU H 1 60 GLU QB . . 3.190 2.852 2.341 3.108 . 0 0 "[ . 1 . 2]" 1
1108 1 60 GLU H 1 60 GLU HB3 . . 3.990 3.553 3.086 3.891 . 0 0 "[ . 1 . 2]" 1
1109 1 60 GLU H 1 60 GLU QG . . 3.880 3.040 1.876 3.890 0.010 19 0 "[ . 1 . 2]" 1
1110 1 60 GLU H 1 61 ASP H . . 4.580 4.346 4.158 4.529 . 0 0 "[ . 1 . 2]" 1
1111 1 60 GLU HA 1 60 GLU QG . . 3.650 2.761 1.993 3.474 . 0 0 "[ . 1 . 2]" 1
1112 1 60 GLU HA 1 61 ASP H . . 3.160 2.395 2.225 2.694 . 0 0 "[ . 1 . 2]" 1
1113 1 60 GLU HA 1 62 TYR QD . . 3.810 2.702 1.999 3.479 . 0 0 "[ . 1 . 2]" 1
1114 1 60 GLU QB 1 61 ASP H . . 3.520 2.790 2.066 3.361 . 0 0 "[ . 1 . 2]" 1
1115 1 60 GLU HB2 1 61 ASP H . . 4.310 3.496 2.089 4.371 0.061 19 0 "[ . 1 . 2]" 1
1116 1 60 GLU HB3 1 61 ASP H . . 4.310 3.350 3.151 3.752 . 0 0 "[ . 1 . 2]" 1
1117 1 60 GLU HG2 1 61 ASP H . . 5.060 4.616 3.120 5.058 . 0 0 "[ . 1 . 2]" 1
1118 1 60 GLU HG3 1 61 ASP H . . 5.060 4.659 4.105 5.037 . 0 0 "[ . 1 . 2]" 1
1119 1 61 ASP H 1 61 ASP HB2 . . 3.900 2.963 2.868 3.126 . 0 0 "[ . 1 . 2]" 1
1120 1 61 ASP H 1 61 ASP QB . . 3.380 2.807 2.762 2.928 . 0 0 "[ . 1 . 2]" 1
1121 1 61 ASP H 1 61 ASP HB3 . . 3.900 3.483 3.408 3.674 . 0 0 "[ . 1 . 2]" 1
1122 1 61 ASP H 1 62 TYR H . . 4.140 2.892 2.706 3.035 . 0 0 "[ . 1 . 2]" 1
1123 1 61 ASP HA 1 62 TYR H . . 3.140 2.932 2.730 3.041 . 0 0 "[ . 1 . 2]" 1
1124 1 61 ASP QB 1 62 TYR H . . 4.220 3.881 3.797 4.030 . 0 0 "[ . 1 . 2]" 1
1125 1 61 ASP HB2 1 62 TYR H . . 4.830 4.641 4.548 4.714 . 0 0 "[ . 1 . 2]" 1
1126 1 61 ASP HB3 1 62 TYR H . . 4.830 4.164 4.041 4.377 . 0 0 "[ . 1 . 2]" 1
1127 1 62 TYR H 1 62 TYR HB2 . . 4.050 3.461 3.432 3.520 . 0 0 "[ . 1 . 2]" 1
1128 1 62 TYR H 1 62 TYR QB . . 3.550 2.570 2.453 2.790 . 0 0 "[ . 1 . 2]" 1
1129 1 62 TYR H 1 62 TYR HB3 . . 4.050 2.652 2.512 2.926 . 0 0 "[ . 1 . 2]" 1
1130 1 62 TYR H 1 62 TYR QD . . 3.780 2.260 2.084 2.622 . 0 0 "[ . 1 . 2]" 1
1131 1 62 TYR H 1 63 SER H . . 4.620 2.949 2.038 4.605 . 0 0 "[ . 1 . 2]" 1
1132 1 62 TYR HA 1 63 SER H . . 3.600 3.362 2.248 3.603 0.003 3 0 "[ . 1 . 2]" 1
1133 1 62 TYR QB 1 63 SER HA . . 4.820 4.598 4.245 4.762 . 0 0 "[ . 1 . 2]" 1
1134 1 62 TYR HB2 1 63 SER H . . 4.220 3.419 2.039 3.756 . 0 0 "[ . 1 . 2]" 1
1135 1 62 TYR HB3 1 63 SER H . . 4.220 3.992 3.485 4.223 0.003 19 0 "[ . 1 . 2]" 1
1136 1 62 TYR QD 1 63 SER H . . 4.290 2.798 2.298 4.195 . 0 0 "[ . 1 . 2]" 1
1137 1 63 SER H 1 63 SER HB2 . . 4.010 3.896 3.523 4.001 . 0 0 "[ . 1 . 2]" 1
1138 1 63 SER H 1 63 SER QB . . 3.290 3.035 2.287 3.246 . 0 0 "[ . 1 . 2]" 1
1139 1 63 SER H 1 63 SER HB3 . . 4.010 3.175 2.317 3.449 . 0 0 "[ . 1 . 2]" 1
1140 1 63 SER H 1 64 GLU H . . 4.890 4.358 4.026 4.587 . 0 0 "[ . 1 . 2]" 1
1141 1 63 SER HA 1 63 SER HB2 . . 2.880 2.421 2.333 2.536 . 0 0 "[ . 1 . 2]" 1
1142 1 63 SER HA 1 63 SER HB3 . . 2.880 2.525 2.407 2.637 . 0 0 "[ . 1 . 2]" 1
1143 1 63 SER HA 1 64 GLU H . . 3.160 2.467 2.217 2.749 . 0 0 "[ . 1 . 2]" 1
1144 1 63 SER HA 1 64 GLU QB . . 4.550 4.153 3.879 4.528 . 0 0 "[ . 1 . 2]" 1
1145 1 63 SER QB 1 64 GLU H . . 3.940 2.651 2.148 3.472 . 0 0 "[ . 1 . 2]" 1
1146 1 63 SER HB2 1 64 GLU H . . 4.600 2.699 2.163 3.605 . 0 0 "[ . 1 . 2]" 1
1147 1 63 SER HB3 1 64 GLU H . . 4.600 3.991 3.604 4.531 . 0 0 "[ . 1 . 2]" 1
1148 1 64 GLU H 1 64 GLU HB2 . . 3.750 2.991 2.218 3.652 . 0 0 "[ . 1 . 2]" 1
1149 1 64 GLU H 1 64 GLU QB . . 3.270 2.522 2.193 3.183 . 0 0 "[ . 1 . 2]" 1
1150 1 64 GLU H 1 64 GLU HB3 . . 3.750 3.027 2.505 3.747 . 0 0 "[ . 1 . 2]" 1
1151 1 64 GLU H 1 64 GLU HG2 . . 4.690 3.829 2.161 4.662 . 0 0 "[ . 1 . 2]" 1
1152 1 64 GLU H 1 64 GLU HG3 . . 4.690 3.958 2.521 4.689 . 0 0 "[ . 1 . 2]" 1
1153 1 64 GLU H 1 65 TYR H . . 4.610 4.449 4.120 4.600 . 0 0 "[ . 1 . 2]" 1
1154 1 64 GLU HA 1 64 GLU HG2 . . 3.940 3.174 2.189 3.812 . 0 0 "[ . 1 . 2]" 1
1155 1 64 GLU HA 1 64 GLU QG . . 3.410 2.569 2.134 3.313 . 0 0 "[ . 1 . 2]" 1
1156 1 64 GLU HA 1 64 GLU HG3 . . 3.940 2.854 2.173 3.818 . 0 0 "[ . 1 . 2]" 1
1157 1 64 GLU HA 1 65 TYR H . . 2.850 2.401 2.203 2.761 . 0 0 "[ . 1 . 2]" 1
1158 1 64 GLU HA 1 65 TYR QB . . 4.190 3.952 3.749 4.171 . 0 0 "[ . 1 . 2]" 1
1159 1 64 GLU QB 1 65 TYR H . . 3.870 3.069 1.935 3.826 . 0 0 "[ . 1 . 2]" 1
1160 1 64 GLU HB2 1 65 TYR H . . 4.630 3.747 1.949 4.556 . 0 0 "[ . 1 . 2]" 1
1161 1 64 GLU HB3 1 65 TYR H . . 4.630 3.552 2.040 4.381 . 0 0 "[ . 1 . 2]" 1
1162 1 64 GLU QG 1 65 TYR H . . 4.140 3.020 1.870 3.887 . 0 0 "[ . 1 . 2]" 1
1163 1 64 GLU HG2 1 65 TYR H . . 4.900 3.573 1.997 4.672 . 0 0 "[ . 1 . 2]" 1
1164 1 64 GLU HG3 1 65 TYR H . . 4.900 3.420 1.968 4.774 . 0 0 "[ . 1 . 2]" 1
1165 1 65 TYR H 1 65 TYR HB2 . . 3.770 2.887 2.187 3.695 . 0 0 "[ . 1 . 2]" 1
1166 1 65 TYR H 1 65 TYR QB . . 2.940 2.467 2.084 2.929 . 0 0 "[ . 1 . 2]" 1
1167 1 65 TYR H 1 65 TYR HB3 . . 3.770 2.822 2.264 3.771 0.001 17 0 "[ . 1 . 2]" 1
1168 1 65 TYR H 1 65 TYR QD . . 4.510 3.969 1.947 4.235 . 0 0 "[ . 1 . 2]" 1
1169 1 65 TYR H 1 66 LEU H . . 3.240 2.917 2.495 3.239 . 0 0 "[ . 1 . 2]" 1
1170 1 65 TYR HA 1 65 TYR QD . . 3.730 2.244 2.011 3.745 0.015 9 0 "[ . 1 . 2]" 1
1171 1 65 TYR HA 1 66 LEU H . . 3.000 2.786 2.630 3.002 0.002 9 0 "[ . 1 . 2]" 1
1172 1 65 TYR QB 1 66 LEU H . . 4.510 3.957 3.827 4.112 . 0 0 "[ . 1 . 2]" 1
1173 1 65 TYR QD 1 66 LEU H . . 4.330 3.928 3.164 4.237 . 0 0 "[ . 1 . 2]" 1
1174 1 66 LEU H 1 66 LEU HA . . 2.840 2.749 2.668 2.839 . 0 0 "[ . 1 . 2]" 1
1175 1 66 LEU H 1 66 LEU HB2 . . 2.870 2.242 2.131 2.584 . 0 0 "[ . 1 . 2]" 1
1176 1 66 LEU H 1 66 LEU HB3 . . 3.930 3.485 3.435 3.550 . 0 0 "[ . 1 . 2]" 1
1177 1 66 LEU H 1 66 LEU MD1 . . 4.090 3.472 2.112 4.084 . 0 0 "[ . 1 . 2]" 1
1178 1 66 LEU H 1 66 LEU MD2 . . 4.090 2.912 1.906 4.161 0.071 17 0 "[ . 1 . 2]" 1
1179 1 66 LEU H 1 66 LEU HG . . 4.140 3.234 2.304 4.137 . 0 0 "[ . 1 . 2]" 1
1180 1 66 LEU H 1 67 PRO QD . . 4.570 4.292 4.255 4.327 . 0 0 "[ . 1 . 2]" 1
1181 1 66 LEU HA 1 66 LEU MD1 . . 3.880 2.932 1.907 3.864 . 0 0 "[ . 1 . 2]" 1
1182 1 66 LEU HA 1 66 LEU MD2 . . 3.880 2.445 1.945 3.755 . 0 0 "[ . 1 . 2]" 1
1183 1 66 LEU HA 1 66 LEU HG . . 4.080 3.164 2.177 3.698 . 0 0 "[ . 1 . 2]" 1
1184 1 66 LEU HA 1 67 PRO QD . . 2.900 1.987 1.942 2.045 . 0 0 "[ . 1 . 2]" 1
1185 1 66 LEU HB2 1 66 LEU MD1 . . 3.660 2.700 2.112 3.215 . 0 0 "[ . 1 . 2]" 1
1186 1 66 LEU HB2 1 66 LEU QD . . 2.960 2.265 2.050 2.521 . 0 0 "[ . 1 . 2]" 1
1187 1 66 LEU HB2 1 66 LEU MD2 . . 3.660 2.763 2.115 3.219 . 0 0 "[ . 1 . 2]" 1
1188 1 66 LEU HB2 1 67 PRO QD . . 3.640 3.553 3.480 3.636 . 0 0 "[ . 1 . 2]" 1
1189 1 66 LEU HB3 1 66 LEU MD1 . . 3.410 2.470 2.113 3.129 . 0 0 "[ . 1 . 2]" 1
1190 1 66 LEU HB3 1 66 LEU MD2 . . 3.410 2.714 2.006 3.212 . 0 0 "[ . 1 . 2]" 1
1191 1 66 LEU HB3 1 67 PRO HA . . 4.990 4.679 4.603 4.845 . 0 0 "[ . 1 . 2]" 1
1192 1 66 LEU HB3 1 67 PRO QD . . 4.010 2.082 1.972 2.209 . 0 0 "[ . 1 . 2]" 1
1193 1 66 LEU QD 1 67 PRO HA . . 5.240 4.988 4.817 5.287 0.047 17 0 "[ . 1 . 2]" 1
1194 1 66 LEU QD 1 67 PRO QD . . 3.730 2.025 1.792 2.712 . 0 0 "[ . 1 . 2]" 1
1195 1 67 PRO HA 1 68 GLU H . . 2.810 2.376 2.151 2.764 . 0 0 "[ . 1 . 2]" 1
1196 1 67 PRO QB 1 68 GLU H . . 3.540 2.779 1.963 3.453 . 0 0 "[ . 1 . 2]" 1
1197 1 67 PRO QD 1 68 GLU H . . 5.310 4.962 4.705 5.036 . 0 0 "[ . 1 . 2]" 1
1198 1 68 GLU H 1 68 GLU HA . . 2.870 2.802 2.657 2.870 0.000 16 0 "[ . 1 . 2]" 1
1199 1 68 GLU H 1 68 GLU HB2 . . 3.860 2.408 2.161 2.823 . 0 0 "[ . 1 . 2]" 1
1200 1 68 GLU H 1 68 GLU QB . . 3.180 2.369 2.140 2.754 . 0 0 "[ . 1 . 2]" 1
1201 1 68 GLU H 1 68 GLU HB3 . . 3.860 3.551 3.441 3.824 . 0 0 "[ . 1 . 2]" 1
1202 1 68 GLU H 1 68 GLU QG . . 3.950 2.619 1.960 3.921 . 0 0 "[ . 1 . 2]" 1
1203 1 68 GLU H 1 69 THR H . . 4.880 4.236 2.475 4.674 . 0 0 "[ . 1 . 2]" 1
1204 1 68 GLU HA 1 68 GLU QG . . 3.500 2.451 2.170 3.150 . 0 0 "[ . 1 . 2]" 1
1205 1 69 THR H 1 69 THR HB . . 3.520 3.004 2.125 3.567 0.047 15 0 "[ . 1 . 2]" 1
1206 1 69 THR HA 1 69 THR MG . . 3.420 2.593 2.265 3.232 . 0 0 "[ . 1 . 2]" 1
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