NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443277 |
2ked   |
16143 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ked
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 1182
_Distance_constraint_stats_list.Viol_count 1972
_Distance_constraint_stats_list.Viol_total 2484.088
_Distance_constraint_stats_list.Viol_max 0.403
_Distance_constraint_stats_list.Viol_rms 0.0234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0630
_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 3 LYS 1.232 0.272 13 0 "[ . 1 . 2]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.050 0.020 6 0 "[ . 1 . 2]"
1 6 SER 0.133 0.082 15 0 "[ . 1 . 2]"
1 7 LEU 0.200 0.082 15 0 "[ . 1 . 2]"
1 8 SER 0.141 0.061 8 0 "[ . 1 . 2]"
1 9 TYR 1.081 0.196 15 0 "[ . 1 . 2]"
1 10 ARG 1.027 0.169 7 0 "[ . 1 . 2]"
1 11 CYS 0.378 0.081 6 0 "[ . 1 . 2]"
1 12 PRO 2.077 0.169 7 0 "[ . 1 . 2]"
1 13 CYS 0.393 0.120 7 0 "[ . 1 . 2]"
1 14 ARG 0.240 0.060 8 0 "[ . 1 . 2]"
1 15 PHE 0.165 0.062 5 0 "[ . 1 . 2]"
1 16 PHE 6.034 0.193 14 0 "[ . 1 . 2]"
1 17 GLU 4.159 0.183 16 0 "[ . 1 . 2]"
1 18 SER 0.572 0.124 20 0 "[ . 1 . 2]"
1 19 HIS 1.145 0.403 8 0 "[ . 1 . 2]"
1 20 VAL 4.035 0.183 16 0 "[ . 1 . 2]"
1 21 ALA 1.042 0.094 20 0 "[ . 1 . 2]"
1 22 ARG 1.725 0.172 18 0 "[ . 1 . 2]"
1 23 ALA 0.031 0.012 14 0 "[ . 1 . 2]"
1 24 ASN 2.784 0.180 1 0 "[ . 1 . 2]"
1 25 VAL 1.850 0.143 14 0 "[ . 1 . 2]"
1 26 LYS 7.454 0.172 4 0 "[ . 1 . 2]"
1 27 HIS 7.787 0.172 4 0 "[ . 1 . 2]"
1 28 LEU 1.226 0.172 18 0 "[ . 1 . 2]"
1 29 LYS 5.003 0.185 18 0 "[ . 1 . 2]"
1 30 ILE 7.508 0.145 6 0 "[ . 1 . 2]"
1 31 LEU 2.751 0.152 20 0 "[ . 1 . 2]"
1 32 ASN 0.578 0.072 11 0 "[ . 1 . 2]"
1 33 THR 1.505 0.161 8 0 "[ . 1 . 2]"
1 34 PRO 1.942 0.182 13 0 "[ . 1 . 2]"
1 35 ASN 3.587 0.254 3 0 "[ . 1 . 2]"
1 36 CYS 1.304 0.084 8 0 "[ . 1 . 2]"
1 37 ALA 4.478 0.254 3 0 "[ . 1 . 2]"
1 38 LEU 4.222 0.263 5 0 "[ . 1 . 2]"
1 39 GLN 3.243 0.152 20 0 "[ . 1 . 2]"
1 40 ILE 9.584 0.236 4 0 "[ . 1 . 2]"
1 41 VAL 4.405 0.118 16 0 "[ . 1 . 2]"
1 42 ALA 2.145 0.133 17 0 "[ . 1 . 2]"
1 43 ARG 12.757 0.309 10 0 "[ . 1 . 2]"
1 44 LEU 5.307 0.155 3 0 "[ . 1 . 2]"
1 45 LYS 1.563 0.083 18 0 "[ . 1 . 2]"
1 46 ASN 1.557 0.130 4 0 "[ . 1 . 2]"
1 47 ASN 1.633 0.191 14 0 "[ . 1 . 2]"
1 48 ASN 1.405 0.111 18 0 "[ . 1 . 2]"
1 49 ARG 7.683 0.246 2 0 "[ . 1 . 2]"
1 50 GLN 4.737 0.217 16 0 "[ . 1 . 2]"
1 51 VAL 0.377 0.088 7 0 "[ . 1 . 2]"
1 52 CYS 3.181 0.193 14 0 "[ . 1 . 2]"
1 53 ILE 5.224 0.121 1 0 "[ . 1 . 2]"
1 54 ASP 5.006 0.236 4 0 "[ . 1 . 2]"
1 55 PRO 0.746 0.071 9 0 "[ . 1 . 2]"
1 56 LYS 4.891 0.368 14 0 "[ . 1 . 2]"
1 57 LEU 8.939 0.279 1 0 "[ . 1 . 2]"
1 58 LYS 1.453 0.128 11 0 "[ . 1 . 2]"
1 59 TRP 4.553 0.103 16 0 "[ . 1 . 2]"
1 60 ILE 8.528 0.185 3 0 "[ . 1 . 2]"
1 61 GLN 0.883 0.074 5 0 "[ . 1 . 2]"
1 62 GLU 0.779 0.106 3 0 "[ . 1 . 2]"
1 63 TYR 5.700 0.174 20 0 "[ . 1 . 2]"
1 64 LEU 9.094 0.214 16 0 "[ . 1 . 2]"
1 65 GLU 3.681 0.185 3 0 "[ . 1 . 2]"
1 66 LYS 5.161 0.246 12 0 "[ . 1 . 2]"
1 67 ALA 5.196 0.246 12 0 "[ . 1 . 2]"
1 68 LEU 1.722 0.223 1 0 "[ . 1 . 2]"
1 69 ASN 0.938 0.139 20 0 "[ . 1 . 2]"
1 70 LYS 2.632 0.160 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 3 LYS HA 1 3 LYS QE . . 5.500 4.305 2.965 5.336 . 0 0 "[ . 1 . 2]" 1
2 1 3 LYS HA 1 4 PRO HD2 . . 3.630 2.538 2.017 3.131 . 0 0 "[ . 1 . 2]" 1
3 1 3 LYS HA 1 4 PRO QD . . 3.060 1.973 1.855 2.107 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS HA 1 4 PRO HD3 . . 3.630 2.116 1.876 2.453 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS QB 1 3 LYS QE . . 3.110 2.320 1.890 3.382 0.272 13 0 "[ . 1 . 2]" 1
6 1 3 LYS QB 1 4 PRO QD . . 3.920 3.007 2.200 3.656 . 0 0 "[ . 1 . 2]" 1
7 1 3 LYS QG 1 4 PRO QD . . 5.020 3.563 1.997 4.405 . 0 0 "[ . 1 . 2]" 1
8 1 5 VAL HA 1 6 SER H . . 3.490 2.635 2.098 3.510 0.020 6 0 "[ . 1 . 2]" 1
9 1 6 SER HA 1 7 LEU H . . 3.320 2.366 2.108 3.402 0.082 15 0 "[ . 1 . 2]" 1
10 1 7 LEU H 1 7 LEU QB . . 3.510 2.486 2.181 3.367 . 0 0 "[ . 1 . 2]" 1
11 1 7 LEU H 1 7 LEU QD . . 4.960 3.479 2.202 4.110 . 0 0 "[ . 1 . 2]" 1
12 1 7 LEU HA 1 7 LEU QD . . 3.450 2.285 2.004 3.037 . 0 0 "[ . 1 . 2]" 1
13 1 7 LEU HA 1 8 SER H . . 3.320 2.265 2.047 3.350 0.030 10 0 "[ . 1 . 2]" 1
14 1 7 LEU QB 1 7 LEU QD . . 2.750 1.978 1.918 2.094 . 0 0 "[ . 1 . 2]" 1
15 1 7 LEU QB 1 7 LEU HG . . 2.370 2.316 2.149 2.404 0.034 4 0 "[ . 1 . 2]" 1
16 1 7 LEU HB2 1 7 LEU QD . . 3.180 2.235 2.115 2.361 . 0 0 "[ . 1 . 2]" 1
17 1 7 LEU HB3 1 7 LEU QD . . 3.180 2.216 2.111 2.393 . 0 0 "[ . 1 . 2]" 1
18 1 8 SER H 1 8 SER QB . . 3.480 2.661 2.239 3.399 . 0 0 "[ . 1 . 2]" 1
19 1 8 SER HA 1 9 TYR H . . 3.410 2.599 2.105 3.471 0.061 8 0 "[ . 1 . 2]" 1
20 1 9 TYR H 1 9 TYR HB2 . . 3.700 2.741 2.400 3.704 0.004 1 0 "[ . 1 . 2]" 1
21 1 9 TYR H 1 9 TYR QB . . 3.170 2.537 2.191 3.190 0.020 15 0 "[ . 1 . 2]" 1
22 1 9 TYR H 1 9 TYR HB3 . . 3.700 3.444 2.407 3.896 0.196 15 0 "[ . 1 . 2]" 1
23 1 9 TYR H 1 9 TYR QD . . 4.050 2.962 2.231 4.110 0.060 18 0 "[ . 1 . 2]" 1
24 1 9 TYR HA 1 9 TYR QD . . 4.330 2.880 2.435 3.742 . 0 0 "[ . 1 . 2]" 1
25 1 9 TYR HA 1 9 TYR QE . . 5.500 4.722 4.426 5.642 0.142 1 0 "[ . 1 . 2]" 1
26 1 9 TYR HA 1 10 ARG H . . 3.570 2.260 1.923 3.564 . 0 0 "[ . 1 . 2]" 1
27 1 10 ARG H 1 10 ARG HB2 . . 3.830 3.683 2.827 3.884 0.054 2 0 "[ . 1 . 2]" 1
28 1 10 ARG H 1 10 ARG QB . . 3.240 2.806 2.275 3.189 . 0 0 "[ . 1 . 2]" 1
29 1 10 ARG H 1 10 ARG HB3 . . 3.830 2.919 2.399 3.393 . 0 0 "[ . 1 . 2]" 1
30 1 10 ARG H 1 10 ARG QD . . 5.060 4.010 1.830 4.842 . 0 0 "[ . 1 . 2]" 1
31 1 10 ARG H 1 10 ARG QG . . 3.760 2.322 1.838 3.876 0.116 10 0 "[ . 1 . 2]" 1
32 1 10 ARG HA 1 10 ARG QD . . 4.610 4.381 3.592 4.570 . 0 0 "[ . 1 . 2]" 1
33 1 10 ARG HA 1 10 ARG QG . . 3.560 3.315 2.433 3.556 . 0 0 "[ . 1 . 2]" 1
34 1 10 ARG HA 1 11 CYS H . . 3.440 2.904 2.134 3.473 0.033 10 0 "[ . 1 . 2]" 1
35 1 10 ARG QB 1 10 ARG QD . . 3.280 2.276 2.113 2.389 . 0 0 "[ . 1 . 2]" 1
36 1 10 ARG QG 1 12 PRO QD . . 4.790 4.584 4.014 4.959 0.169 7 0 "[ . 1 . 2]" 1
37 1 11 CYS CB 1 36 CYS SG . . 3.100 3.030 3.000 3.065 . 0 0 "[ . 1 . 2]" 1
38 1 11 CYS H 1 11 CYS HB2 . . 3.650 2.572 2.468 2.670 . 0 0 "[ . 1 . 2]" 1
39 1 11 CYS H 1 11 CYS HB3 . . 4.030 3.694 3.624 3.761 . 0 0 "[ . 1 . 2]" 1
40 1 11 CYS HA 1 12 PRO QD . . 2.970 1.918 1.797 2.091 . 0 0 "[ . 1 . 2]" 1
41 1 11 CYS HA 1 12 PRO QG . . 4.340 3.823 3.631 4.003 . 0 0 "[ . 1 . 2]" 1
42 1 11 CYS HA 1 33 THR HB . . 5.500 4.841 4.195 5.341 . 0 0 "[ . 1 . 2]" 1
43 1 11 CYS HA 1 33 THR MG . . 4.030 3.248 2.571 3.905 . 0 0 "[ . 1 . 2]" 1
44 1 11 CYS HB2 1 12 PRO QD . . 4.210 3.879 3.667 3.987 . 0 0 "[ . 1 . 2]" 1
45 1 11 CYS HB2 1 39 GLN HE22 . . 5.500 5.281 4.227 5.581 0.081 6 0 "[ . 1 . 2]" 1
46 1 11 CYS HB3 1 12 PRO QD . . 3.690 2.682 2.331 2.936 . 0 0 "[ . 1 . 2]" 1
47 1 11 CYS HB3 1 13 CYS H . . 4.650 3.149 2.721 3.584 . 0 0 "[ . 1 . 2]" 1
48 1 11 CYS HB3 1 33 THR MG . . 5.490 4.195 3.147 4.878 . 0 0 "[ . 1 . 2]" 1
49 1 11 CYS HB3 1 39 GLN HE21 . . 5.410 4.598 2.966 5.146 . 0 0 "[ . 1 . 2]" 1
50 1 11 CYS HB3 1 39 GLN HE22 . . 5.350 3.580 2.493 3.897 . 0 0 "[ . 1 . 2]" 1
51 1 11 CYS SG 1 36 CYS CB . . 3.100 3.020 2.987 3.057 . 0 0 "[ . 1 . 2]" 1
52 1 11 CYS SG 1 36 CYS SG . . 2.100 2.021 2.002 2.037 . 0 0 "[ . 1 . 2]" 1
53 1 12 PRO HB2 1 31 LEU QD . . 5.500 2.645 2.241 4.021 . 0 0 "[ . 1 . 2]" 1
54 1 12 PRO HB2 1 31 LEU HG . . 4.070 4.117 3.776 4.201 0.131 18 0 "[ . 1 . 2]" 1
55 1 12 PRO HB3 1 13 CYS H . . 4.140 3.915 3.687 4.145 0.005 6 0 "[ . 1 . 2]" 1
56 1 12 PRO HB3 1 31 LEU QD . . 4.850 2.464 1.995 4.196 . 0 0 "[ . 1 . 2]" 1
57 1 12 PRO QD 1 13 CYS H . . 4.890 2.897 2.551 3.550 . 0 0 "[ . 1 . 2]" 1
58 1 12 PRO QD 1 31 LEU QD . . 4.730 3.635 2.860 3.907 . 0 0 "[ . 1 . 2]" 1
59 1 12 PRO QD 1 39 GLN HE21 . . 5.150 3.477 3.077 3.944 . 0 0 "[ . 1 . 2]" 1
60 1 12 PRO QD 1 39 GLN HE22 . . 4.660 2.158 1.621 3.272 . 0 0 "[ . 1 . 2]" 1
61 1 12 PRO QG 1 13 CYS H . . 4.090 3.840 3.629 4.121 0.031 6 0 "[ . 1 . 2]" 1
62 1 12 PRO QG 1 31 LEU QB . . 4.480 3.686 2.724 4.481 0.001 3 0 "[ . 1 . 2]" 1
63 1 12 PRO QG 1 31 LEU QD . . 4.140 2.155 1.840 2.394 . 0 0 "[ . 1 . 2]" 1
64 1 12 PRO QG 1 33 THR MG . . 4.440 3.679 3.181 4.468 0.028 16 0 "[ . 1 . 2]" 1
65 1 12 PRO QG 1 39 GLN HE22 . . 5.320 3.067 2.381 4.383 . 0 0 "[ . 1 . 2]" 1
66 1 13 CYS CB 1 52 CYS SG . . 3.100 3.007 2.982 3.049 . 0 0 "[ . 1 . 2]" 1
67 1 13 CYS H 1 13 CYS HB2 . . 4.130 2.718 2.438 3.220 . 0 0 "[ . 1 . 2]" 1
68 1 13 CYS H 1 13 CYS QB . . 3.490 2.598 2.403 2.729 . 0 0 "[ . 1 . 2]" 1
69 1 13 CYS H 1 13 CYS HB3 . . 4.130 3.626 2.834 3.839 . 0 0 "[ . 1 . 2]" 1
70 1 13 CYS H 1 39 GLN HE21 . . 5.390 4.604 3.362 5.265 . 0 0 "[ . 1 . 2]" 1
71 1 13 CYS H 1 39 GLN HE22 . . 5.500 4.073 3.559 5.121 . 0 0 "[ . 1 . 2]" 1
72 1 13 CYS QB 1 16 PHE QD . . 3.660 3.479 3.182 3.728 0.068 20 0 "[ . 1 . 2]" 1
73 1 13 CYS QB 1 16 PHE QE . . 4.230 2.589 2.249 2.904 . 0 0 "[ . 1 . 2]" 1
74 1 13 CYS QB 1 39 GLN HE21 . . 5.330 4.900 4.177 5.450 0.120 7 0 "[ . 1 . 2]" 1
75 1 13 CYS HB2 1 16 PHE QE . . 5.030 2.952 2.289 4.168 . 0 0 "[ . 1 . 2]" 1
76 1 13 CYS HB3 1 16 PHE QE . . 5.030 3.165 2.413 3.729 . 0 0 "[ . 1 . 2]" 1
77 1 13 CYS SG 1 52 CYS CB . . 3.100 3.041 3.001 3.081 . 0 0 "[ . 1 . 2]" 1
78 1 13 CYS SG 1 52 CYS SG . . 2.100 2.029 2.015 2.041 . 0 0 "[ . 1 . 2]" 1
79 1 14 ARG HA 1 14 ARG QD . . 4.140 3.461 1.938 4.200 0.060 8 0 "[ . 1 . 2]" 1
80 1 14 ARG HA 1 14 ARG HG2 . . 4.010 2.887 2.470 3.860 . 0 0 "[ . 1 . 2]" 1
81 1 14 ARG HA 1 14 ARG HG3 . . 4.010 3.237 2.600 3.817 . 0 0 "[ . 1 . 2]" 1
82 1 14 ARG QB 1 14 ARG QG . . 2.370 2.052 1.997 2.092 . 0 0 "[ . 1 . 2]" 1
83 1 14 ARG QB 1 15 PHE H . . 3.710 2.754 2.087 3.371 . 0 0 "[ . 1 . 2]" 1
84 1 14 ARG QB 1 15 PHE QD . . 4.600 2.773 2.152 3.244 . 0 0 "[ . 1 . 2]" 1
85 1 14 ARG HB2 1 14 ARG QD . . 3.500 2.757 2.332 3.501 0.001 3 0 "[ . 1 . 2]" 1
86 1 14 ARG HB3 1 14 ARG QD . . 3.500 2.686 2.307 3.498 . 0 0 "[ . 1 . 2]" 1
87 1 15 PHE H 1 15 PHE HB2 . . 4.170 3.509 2.494 3.921 . 0 0 "[ . 1 . 2]" 1
88 1 15 PHE H 1 15 PHE QB . . 3.420 2.863 2.453 3.232 . 0 0 "[ . 1 . 2]" 1
89 1 15 PHE H 1 15 PHE HB3 . . 4.170 3.213 2.841 3.668 . 0 0 "[ . 1 . 2]" 1
90 1 15 PHE H 1 15 PHE QD . . 4.690 2.572 2.147 3.037 . 0 0 "[ . 1 . 2]" 1
91 1 15 PHE H 1 15 PHE QE . . 4.420 4.179 3.867 4.482 0.062 5 0 "[ . 1 . 2]" 1
92 1 15 PHE HA 1 15 PHE QD . . 4.360 3.598 2.898 3.777 . 0 0 "[ . 1 . 2]" 1
93 1 15 PHE HA 1 16 PHE H . . 3.070 2.235 2.156 2.414 . 0 0 "[ . 1 . 2]" 1
94 1 15 PHE QB 1 16 PHE H . . 3.770 2.845 2.327 3.235 . 0 0 "[ . 1 . 2]" 1
95 1 15 PHE HB2 1 16 PHE H . . 4.480 3.098 2.351 4.183 . 0 0 "[ . 1 . 2]" 1
96 1 15 PHE HB3 1 16 PHE H . . 4.480 3.814 2.819 4.152 . 0 0 "[ . 1 . 2]" 1
97 1 15 PHE QD 1 16 PHE H . . 5.500 3.898 3.234 4.357 . 0 0 "[ . 1 . 2]" 1
98 1 16 PHE H 1 16 PHE HB2 . . 4.010 2.653 2.522 2.758 . 0 0 "[ . 1 . 2]" 1
99 1 16 PHE H 1 16 PHE HB3 . . 3.940 3.798 3.711 3.867 . 0 0 "[ . 1 . 2]" 1
100 1 16 PHE H 1 16 PHE QD . . 4.690 3.025 2.656 3.538 . 0 0 "[ . 1 . 2]" 1
101 1 16 PHE H 1 17 GLU H . . 5.500 4.351 4.294 4.497 . 0 0 "[ . 1 . 2]" 1
102 1 16 PHE HA 1 52 CYS HB2 . . 4.250 2.009 1.905 2.190 . 0 0 "[ . 1 . 2]" 1
103 1 16 PHE HA 1 52 CYS HB3 . . 4.670 3.351 3.223 3.544 . 0 0 "[ . 1 . 2]" 1
104 1 16 PHE HA 1 53 ILE HG12 . . 5.500 5.575 5.539 5.621 0.121 1 0 "[ . 1 . 2]" 1
105 1 16 PHE HB2 1 52 CYS HB2 . . 4.460 4.619 4.553 4.653 0.193 14 0 "[ . 1 . 2]" 1
106 1 16 PHE HB2 1 54 ASP H . . 4.700 4.042 3.692 4.569 . 0 0 "[ . 1 . 2]" 1
107 1 16 PHE HB2 1 54 ASP HA . . 4.140 3.622 3.018 4.155 0.015 1 0 "[ . 1 . 2]" 1
108 1 16 PHE HB2 1 54 ASP HB2 . . 4.660 2.617 2.210 3.141 . 0 0 "[ . 1 . 2]" 1
109 1 16 PHE HB3 1 17 GLU H . . 3.890 2.883 2.764 3.003 . 0 0 "[ . 1 . 2]" 1
110 1 16 PHE HB3 1 52 CYS HB2 . . 4.620 3.805 3.630 3.946 . 0 0 "[ . 1 . 2]" 1
111 1 16 PHE HB3 1 54 ASP H . . 4.550 2.759 2.567 3.067 . 0 0 "[ . 1 . 2]" 1
112 1 16 PHE HB3 1 54 ASP HA . . 4.210 2.926 2.601 3.348 . 0 0 "[ . 1 . 2]" 1
113 1 16 PHE HB3 1 54 ASP HB2 . . 4.460 2.534 2.315 2.758 . 0 0 "[ . 1 . 2]" 1
114 1 16 PHE QD 1 52 CYS HB2 . . 4.310 2.759 1.977 3.366 . 0 0 "[ . 1 . 2]" 1
115 1 16 PHE QD 1 52 CYS HB3 . . 4.610 2.259 1.853 2.845 . 0 0 "[ . 1 . 2]" 1
116 1 16 PHE QD 1 53 ILE H . . 5.500 3.034 2.682 3.570 . 0 0 "[ . 1 . 2]" 1
117 1 16 PHE QD 1 54 ASP H . . 5.420 4.145 3.655 4.831 . 0 0 "[ . 1 . 2]" 1
118 1 16 PHE QD 1 54 ASP HA . . 4.590 3.312 2.917 3.654 . 0 0 "[ . 1 . 2]" 1
119 1 16 PHE QD 1 54 ASP HB2 . . 5.020 3.817 3.448 4.084 . 0 0 "[ . 1 . 2]" 1
120 1 16 PHE QD 1 54 ASP HB3 . . 5.500 5.123 4.860 5.264 . 0 0 "[ . 1 . 2]" 1
121 1 16 PHE QD 1 55 PRO HD2 . . 5.360 4.381 3.528 4.712 . 0 0 "[ . 1 . 2]" 1
122 1 16 PHE QD 1 55 PRO HD3 . . 5.500 4.105 3.781 4.606 . 0 0 "[ . 1 . 2]" 1
123 1 16 PHE QD 1 55 PRO QG . . 5.350 5.322 4.852 5.421 0.071 9 0 "[ . 1 . 2]" 1
124 1 16 PHE QE 1 39 GLN HG2 . . 4.550 2.612 2.205 3.622 . 0 0 "[ . 1 . 2]" 1
125 1 16 PHE QE 1 52 CYS HB2 . . 4.970 4.214 3.810 4.487 . 0 0 "[ . 1 . 2]" 1
126 1 16 PHE QE 1 52 CYS HB3 . . 4.890 3.150 2.897 3.391 . 0 0 "[ . 1 . 2]" 1
127 1 16 PHE QE 1 54 ASP HA . . 5.220 4.349 3.701 4.796 . 0 0 "[ . 1 . 2]" 1
128 1 16 PHE QE 1 54 ASP HB2 . . 5.480 5.473 5.056 5.590 0.110 11 0 "[ . 1 . 2]" 1
129 1 16 PHE QE 1 55 PRO HD2 . . 5.500 4.597 3.926 4.887 . 0 0 "[ . 1 . 2]" 1
130 1 16 PHE QE 1 55 PRO HD3 . . 5.500 4.028 3.600 4.746 . 0 0 "[ . 1 . 2]" 1
131 1 17 GLU H 1 17 GLU HB2 . . 3.840 2.388 2.111 2.656 . 0 0 "[ . 1 . 2]" 1
132 1 17 GLU H 1 17 GLU HB3 . . 3.840 3.074 2.235 3.661 . 0 0 "[ . 1 . 2]" 1
133 1 17 GLU H 1 17 GLU HG2 . . 4.270 3.579 2.267 4.400 0.130 4 0 "[ . 1 . 2]" 1
134 1 17 GLU H 1 17 GLU HG3 . . 4.270 3.923 2.936 4.386 0.116 5 0 "[ . 1 . 2]" 1
135 1 17 GLU H 1 20 VAL QG . . 5.300 3.695 3.470 4.058 . 0 0 "[ . 1 . 2]" 1
136 1 17 GLU H 1 52 CYS HB2 . . 5.010 3.641 3.345 3.980 . 0 0 "[ . 1 . 2]" 1
137 1 17 GLU H 1 52 CYS HB3 . . 5.410 4.726 4.435 4.963 . 0 0 "[ . 1 . 2]" 1
138 1 17 GLU H 1 53 ILE H . . 5.500 4.509 4.225 4.805 . 0 0 "[ . 1 . 2]" 1
139 1 17 GLU H 1 53 ILE HA . . 4.280 2.727 2.426 3.119 . 0 0 "[ . 1 . 2]" 1
140 1 17 GLU H 1 53 ILE MD . . 5.500 5.461 5.300 5.527 0.027 2 0 "[ . 1 . 2]" 1
141 1 17 GLU H 1 53 ILE MG . . 4.870 4.480 4.233 4.782 . 0 0 "[ . 1 . 2]" 1
142 1 17 GLU H 1 54 ASP H . . 4.770 3.813 3.522 4.405 . 0 0 "[ . 1 . 2]" 1
143 1 17 GLU HA 1 18 SER H . . 3.270 2.161 2.000 2.371 . 0 0 "[ . 1 . 2]" 1
144 1 17 GLU HA 1 20 VAL QG . . 4.710 3.973 3.796 4.266 . 0 0 "[ . 1 . 2]" 1
145 1 17 GLU HA 1 51 VAL HB . . 5.500 5.186 4.640 5.588 0.088 7 0 "[ . 1 . 2]" 1
146 1 17 GLU HA 1 51 VAL MG2 . . 5.500 5.293 4.655 5.553 0.053 20 0 "[ . 1 . 2]" 1
147 1 17 GLU QB 1 20 VAL QG . . 3.340 1.976 1.797 2.411 . 0 0 "[ . 1 . 2]" 1
148 1 17 GLU QB 1 42 ALA MB . . 5.340 5.320 5.046 5.433 0.093 7 0 "[ . 1 . 2]" 1
149 1 17 GLU QB 1 51 VAL MG2 . . 4.110 2.903 2.284 3.441 . 0 0 "[ . 1 . 2]" 1
150 1 17 GLU QB 1 53 ILE HG13 . . 5.340 4.643 4.318 5.049 . 0 0 "[ . 1 . 2]" 1
151 1 17 GLU QB 1 53 ILE MG . . 4.810 4.018 3.670 4.338 . 0 0 "[ . 1 . 2]" 1
152 1 17 GLU HB2 1 18 SER H . . 5.290 4.244 4.012 4.421 . 0 0 "[ . 1 . 2]" 1
153 1 17 GLU HB2 1 20 VAL QG . . 3.900 2.676 1.945 3.671 . 0 0 "[ . 1 . 2]" 1
154 1 17 GLU HB2 1 51 VAL MG2 . . 4.690 3.153 2.378 3.601 . 0 0 "[ . 1 . 2]" 1
155 1 17 GLU HB3 1 18 SER H . . 5.290 3.551 2.833 4.291 . 0 0 "[ . 1 . 2]" 1
156 1 17 GLU HB3 1 20 VAL QG . . 3.900 2.142 1.850 2.448 . 0 0 "[ . 1 . 2]" 1
157 1 17 GLU HB3 1 51 VAL MG2 . . 4.690 3.602 2.632 4.435 . 0 0 "[ . 1 . 2]" 1
158 1 17 GLU QG 1 18 SER H . . 4.420 3.784 2.903 4.544 0.124 20 0 "[ . 1 . 2]" 1
159 1 17 GLU QG 1 51 VAL MG2 . . 4.890 2.915 2.104 4.347 . 0 0 "[ . 1 . 2]" 1
160 1 17 GLU HG2 1 20 VAL QG . . 3.700 3.437 2.252 3.883 0.183 16 0 "[ . 1 . 2]" 1
161 1 17 GLU HG3 1 20 VAL QG . . 3.700 3.034 1.890 3.770 0.070 1 0 "[ . 1 . 2]" 1
162 1 18 SER H 1 18 SER QB . . 3.630 2.704 2.355 3.185 . 0 0 "[ . 1 . 2]" 1
163 1 18 SER HA 1 54 ASP HB2 . . 4.350 3.818 3.139 4.324 . 0 0 "[ . 1 . 2]" 1
164 1 18 SER HA 1 54 ASP HB3 . . 4.320 3.170 2.729 3.934 . 0 0 "[ . 1 . 2]" 1
165 1 18 SER HA 1 57 LEU MD1 . . 4.070 2.670 2.059 3.302 . 0 0 "[ . 1 . 2]" 1
166 1 18 SER HA 1 57 LEU MD2 . . 4.140 2.333 1.905 2.742 . 0 0 "[ . 1 . 2]" 1
167 1 18 SER QB 1 54 ASP HB2 . . 5.290 3.996 3.140 5.084 . 0 0 "[ . 1 . 2]" 1
168 1 18 SER QB 1 54 ASP HB3 . . 5.340 3.891 3.017 4.764 . 0 0 "[ . 1 . 2]" 1
169 1 18 SER QB 1 57 LEU MD1 . . 5.340 4.245 3.617 4.846 . 0 0 "[ . 1 . 2]" 1
170 1 18 SER QB 1 57 LEU MD2 . . 3.890 3.090 2.363 3.632 . 0 0 "[ . 1 . 2]" 1
171 1 18 SER HB2 1 57 LEU MD2 . . 4.550 3.571 2.416 4.570 0.020 9 0 "[ . 1 . 2]" 1
172 1 18 SER HB3 1 57 LEU MD2 . . 4.550 3.686 2.491 4.370 . 0 0 "[ . 1 . 2]" 1
173 1 19 HIS H 1 20 VAL H . . 4.130 2.938 2.176 3.946 . 0 0 "[ . 1 . 2]" 1
174 1 19 HIS HA 1 19 HIS HE1 . . 5.500 5.379 4.964 5.903 0.403 8 0 "[ . 1 . 2]" 1
175 1 19 HIS HA 1 20 VAL H . . 3.540 2.645 2.122 3.200 . 0 0 "[ . 1 . 2]" 1
176 1 19 HIS QB 1 20 VAL H . . 4.410 3.768 3.496 4.040 . 0 0 "[ . 1 . 2]" 1
177 1 19 HIS HB2 1 20 VAL H . . 5.130 4.304 3.689 4.549 . 0 0 "[ . 1 . 2]" 1
178 1 19 HIS HB3 1 20 VAL H . . 5.130 4.231 3.702 4.520 . 0 0 "[ . 1 . 2]" 1
179 1 20 VAL H 1 20 VAL HB . . 3.800 2.682 2.567 2.893 . 0 0 "[ . 1 . 2]" 1
180 1 20 VAL H 1 21 ALA H . . 4.860 4.490 4.346 4.659 . 0 0 "[ . 1 . 2]" 1
181 1 20 VAL H 1 53 ILE MG . . 5.030 4.608 4.094 5.043 0.013 3 0 "[ . 1 . 2]" 1
182 1 20 VAL HA 1 20 VAL QG . . 3.200 2.152 2.103 2.195 . 0 0 "[ . 1 . 2]" 1
183 1 20 VAL HA 1 21 ALA H . . 3.030 2.269 2.072 2.554 . 0 0 "[ . 1 . 2]" 1
184 1 20 VAL HA 1 53 ILE MD . . 5.480 4.995 4.845 5.218 . 0 0 "[ . 1 . 2]" 1
185 1 20 VAL HA 1 57 LEU MD1 . . 5.130 4.593 4.450 4.704 . 0 0 "[ . 1 . 2]" 1
186 1 20 VAL HA 1 57 LEU MD2 . . 5.500 5.590 5.556 5.641 0.141 4 0 "[ . 1 . 2]" 1
187 1 20 VAL HB 1 21 ALA H . . 4.960 3.876 3.660 4.163 . 0 0 "[ . 1 . 2]" 1
188 1 20 VAL HB 1 53 ILE MD . . 4.390 3.135 2.837 3.459 . 0 0 "[ . 1 . 2]" 1
189 1 20 VAL HB 1 53 ILE HG12 . . 4.740 4.152 3.783 4.477 . 0 0 "[ . 1 . 2]" 1
190 1 20 VAL HB 1 53 ILE MG . . 3.990 3.162 2.947 3.325 . 0 0 "[ . 1 . 2]" 1
191 1 20 VAL HB 1 57 LEU MD1 . . 4.140 2.499 2.225 2.694 . 0 0 "[ . 1 . 2]" 1
192 1 20 VAL HB 1 59 TRP HD1 . . 5.010 5.003 4.651 5.094 0.084 11 0 "[ . 1 . 2]" 1
193 1 20 VAL HB 1 59 TRP HE1 . . 5.350 2.493 2.120 2.661 . 0 0 "[ . 1 . 2]" 1
194 1 20 VAL HB 1 59 TRP HH2 . . 5.500 4.628 4.318 5.275 . 0 0 "[ . 1 . 2]" 1
195 1 20 VAL HB 1 59 TRP HZ2 . . 5.010 2.223 1.925 2.845 . 0 0 "[ . 1 . 2]" 1
196 1 20 VAL QG 1 21 ALA H . . 4.170 2.303 1.984 2.734 . 0 0 "[ . 1 . 2]" 1
197 1 20 VAL QG 1 24 ASN HD21 . . 4.880 4.063 3.303 4.948 0.068 9 0 "[ . 1 . 2]" 1
198 1 20 VAL QG 1 24 ASN HD22 . . 5.280 4.536 2.409 5.291 0.011 8 0 "[ . 1 . 2]" 1
199 1 20 VAL QG 1 53 ILE HB . . 4.450 4.101 3.948 4.450 . 1 0 "[ . 1 . 2]" 1
200 1 20 VAL QG 1 53 ILE MG . . 3.770 2.399 2.113 2.721 . 0 0 "[ . 1 . 2]" 1
201 1 20 VAL QG 1 59 TRP HZ2 . . 3.670 2.023 1.862 2.265 . 0 0 "[ . 1 . 2]" 1
202 1 21 ALA H 1 21 ALA MB . . 3.350 2.324 2.243 2.401 . 0 0 "[ . 1 . 2]" 1
203 1 21 ALA H 1 22 ARG H . . 5.200 4.407 4.343 4.485 . 0 0 "[ . 1 . 2]" 1
204 1 21 ALA H 1 24 ASN H . . 4.470 4.238 3.718 4.522 0.052 8 0 "[ . 1 . 2]" 1
205 1 21 ALA H 1 24 ASN HB2 . . 4.830 4.349 3.417 4.924 0.094 20 0 "[ . 1 . 2]" 1
206 1 21 ALA H 1 24 ASN HB3 . . 4.830 3.245 2.293 4.119 . 0 0 "[ . 1 . 2]" 1
207 1 21 ALA H 1 24 ASN HD21 . . 5.400 3.797 3.141 5.180 . 0 0 "[ . 1 . 2]" 1
208 1 21 ALA H 1 24 ASN HD22 . . 5.500 4.826 3.185 5.457 . 0 0 "[ . 1 . 2]" 1
209 1 21 ALA HA 1 22 ARG H . . 3.140 2.183 2.118 2.282 . 0 0 "[ . 1 . 2]" 1
210 1 21 ALA HA 1 22 ARG HB2 . . 5.160 4.565 4.433 4.679 . 0 0 "[ . 1 . 2]" 1
211 1 21 ALA HA 1 22 ARG HB3 . . 5.110 4.623 4.469 4.904 . 0 0 "[ . 1 . 2]" 1
212 1 21 ALA HA 1 23 ALA H . . 4.790 3.927 3.718 4.260 . 0 0 "[ . 1 . 2]" 1
213 1 21 ALA HA 1 24 ASN H . . 4.920 4.467 4.246 4.612 . 0 0 "[ . 1 . 2]" 1
214 1 21 ALA HA 1 24 ASN QB . . 5.340 4.562 3.789 5.385 0.045 20 0 "[ . 1 . 2]" 1
215 1 21 ALA HA 1 59 TRP HD1 . . 5.480 4.658 4.016 5.287 . 0 0 "[ . 1 . 2]" 1
216 1 21 ALA HA 1 59 TRP HE1 . . 4.120 3.906 3.526 4.166 0.046 14 0 "[ . 1 . 2]" 1
217 1 21 ALA HA 1 59 TRP HZ2 . . 5.500 4.866 4.662 5.131 . 0 0 "[ . 1 . 2]" 1
218 1 21 ALA MB 1 22 ARG H . . 3.600 3.004 2.898 3.168 . 0 0 "[ . 1 . 2]" 1
219 1 21 ALA MB 1 22 ARG HB2 . . 5.490 5.142 4.944 5.275 . 0 0 "[ . 1 . 2]" 1
220 1 21 ALA MB 1 23 ALA H . . 4.270 2.827 2.477 3.086 . 0 0 "[ . 1 . 2]" 1
221 1 21 ALA MB 1 24 ASN H . . 3.420 2.742 2.163 2.965 . 0 0 "[ . 1 . 2]" 1
222 1 21 ALA MB 1 24 ASN HB2 . . 4.370 2.639 1.851 3.972 . 0 0 "[ . 1 . 2]" 1
223 1 21 ALA MB 1 24 ASN QB . . 3.750 2.112 1.719 2.558 . 0 0 "[ . 1 . 2]" 1
224 1 21 ALA MB 1 24 ASN HB3 . . 4.370 2.315 2.038 2.590 . 0 0 "[ . 1 . 2]" 1
225 1 21 ALA MB 1 24 ASN HD21 . . 4.520 3.604 3.080 4.609 0.089 20 0 "[ . 1 . 2]" 1
226 1 21 ALA MB 1 24 ASN HD22 . . 4.680 4.607 3.978 4.772 0.092 9 0 "[ . 1 . 2]" 1
227 1 22 ARG H 1 22 ARG HB2 . . 3.510 2.586 2.457 2.659 . 0 0 "[ . 1 . 2]" 1
228 1 22 ARG H 1 22 ARG HB3 . . 3.710 2.463 2.395 2.623 . 0 0 "[ . 1 . 2]" 1
229 1 22 ARG H 1 22 ARG QD . . 4.510 4.313 4.201 4.473 . 0 0 "[ . 1 . 2]" 1
230 1 22 ARG H 1 22 ARG QG . . 4.150 4.013 3.964 4.079 . 0 0 "[ . 1 . 2]" 1
231 1 22 ARG H 1 23 ALA H . . 3.490 2.630 2.515 2.870 . 0 0 "[ . 1 . 2]" 1
232 1 22 ARG H 1 59 TRP HZ2 . . 5.500 4.882 4.457 5.297 . 0 0 "[ . 1 . 2]" 1
233 1 22 ARG HA 1 22 ARG QD . . 3.970 2.906 2.134 3.922 . 0 0 "[ . 1 . 2]" 1
234 1 22 ARG HA 1 22 ARG QG . . 3.730 2.846 2.397 3.159 . 0 0 "[ . 1 . 2]" 1
235 1 22 ARG HA 1 25 VAL H . . 4.890 3.555 3.146 4.047 . 0 0 "[ . 1 . 2]" 1
236 1 22 ARG HA 1 25 VAL HB . . 5.500 3.966 2.699 5.524 0.024 4 0 "[ . 1 . 2]" 1
237 1 22 ARG HA 1 25 VAL QG . . 3.610 2.535 1.935 3.632 0.022 1 0 "[ . 1 . 2]" 1
238 1 22 ARG HA 1 59 TRP HH2 . . 4.930 3.579 3.204 4.025 . 0 0 "[ . 1 . 2]" 1
239 1 22 ARG HA 1 59 TRP HZ2 . . 4.920 4.049 3.501 4.462 . 0 0 "[ . 1 . 2]" 1
240 1 22 ARG HB2 1 22 ARG QD . . 3.700 2.361 2.244 2.522 . 0 0 "[ . 1 . 2]" 1
241 1 22 ARG HB2 1 23 ALA H . . 4.460 4.045 3.908 4.148 . 0 0 "[ . 1 . 2]" 1
242 1 22 ARG HB2 1 59 TRP HB2 . . 5.470 3.155 2.297 3.924 . 0 0 "[ . 1 . 2]" 1
243 1 22 ARG HB2 1 59 TRP HB3 . . 5.500 4.147 3.406 4.884 . 0 0 "[ . 1 . 2]" 1
244 1 22 ARG HB2 1 59 TRP HE1 . . 5.500 5.032 4.486 5.543 0.043 1 0 "[ . 1 . 2]" 1
245 1 22 ARG HB2 1 59 TRP HH2 . . 5.500 4.700 3.787 5.478 . 0 0 "[ . 1 . 2]" 1
246 1 22 ARG HB2 1 59 TRP HZ3 . . 5.500 3.827 3.172 4.197 . 0 0 "[ . 1 . 2]" 1
247 1 22 ARG HB3 1 22 ARG QD . . 3.510 2.963 2.382 3.397 . 0 0 "[ . 1 . 2]" 1
248 1 22 ARG HB3 1 22 ARG QG . . 2.570 2.232 2.163 2.333 . 0 0 "[ . 1 . 2]" 1
249 1 22 ARG HB3 1 23 ALA H . . 4.100 2.878 2.698 3.043 . 0 0 "[ . 1 . 2]" 1
250 1 22 ARG HB3 1 59 TRP HB2 . . 5.500 4.271 3.374 4.769 . 0 0 "[ . 1 . 2]" 1
251 1 22 ARG HB3 1 59 TRP HB3 . . 5.500 5.015 4.050 5.534 0.034 2 0 "[ . 1 . 2]" 1
252 1 22 ARG HB3 1 59 TRP HZ3 . . 5.500 5.264 4.628 5.559 0.059 7 0 "[ . 1 . 2]" 1
253 1 22 ARG QD 1 23 ALA H . . 4.990 4.739 4.519 5.002 0.012 14 0 "[ . 1 . 2]" 1
254 1 22 ARG QD 1 28 LEU MD1 . . 5.320 4.428 3.249 5.492 0.172 18 0 "[ . 1 . 2]" 1
255 1 22 ARG QD 1 28 LEU QD . . 4.690 3.827 3.119 4.391 . 0 0 "[ . 1 . 2]" 1
256 1 22 ARG QD 1 28 LEU MD2 . . 5.320 4.522 3.383 5.354 0.034 17 0 "[ . 1 . 2]" 1
257 1 22 ARG QD 1 59 TRP HB2 . . 4.800 3.526 3.147 3.758 . 0 0 "[ . 1 . 2]" 1
258 1 22 ARG QD 1 59 TRP HB3 . . 5.150 4.968 4.513 5.185 0.035 18 0 "[ . 1 . 2]" 1
259 1 22 ARG QD 1 59 TRP HE3 . . 4.280 2.052 1.909 2.207 . 0 0 "[ . 1 . 2]" 1
260 1 22 ARG QD 1 59 TRP HH2 . . 4.310 4.122 3.769 4.405 0.095 5 0 "[ . 1 . 2]" 1
261 1 22 ARG QD 1 59 TRP HZ2 . . 5.500 5.263 4.962 5.512 0.012 1 0 "[ . 1 . 2]" 1
262 1 22 ARG QD 1 59 TRP HZ3 . . 4.360 2.447 2.145 2.786 . 0 0 "[ . 1 . 2]" 1
263 1 22 ARG QD 1 60 ILE MD . . 5.500 4.358 4.117 4.694 . 0 0 "[ . 1 . 2]" 1
264 1 22 ARG QG 1 23 ALA H . . 4.420 3.779 3.491 3.952 . 0 0 "[ . 1 . 2]" 1
265 1 22 ARG QG 1 59 TRP HB2 . . 5.340 4.320 3.322 5.282 . 0 0 "[ . 1 . 2]" 1
266 1 22 ARG QG 1 59 TRP HE3 . . 5.090 3.654 3.320 3.944 . 0 0 "[ . 1 . 2]" 1
267 1 23 ALA H 1 23 ALA MB . . 3.010 2.258 2.216 2.285 . 0 0 "[ . 1 . 2]" 1
268 1 23 ALA H 1 24 ASN H . . 3.620 2.541 2.380 2.714 . 0 0 "[ . 1 . 2]" 1
269 1 23 ALA H 1 25 VAL H . . 5.290 4.154 3.919 4.302 . 0 0 "[ . 1 . 2]" 1
270 1 23 ALA HA 1 25 VAL H . . 4.650 4.014 3.770 4.394 . 0 0 "[ . 1 . 2]" 1
271 1 23 ALA MB 1 24 ASN H . . 3.710 3.154 3.011 3.273 . 0 0 "[ . 1 . 2]" 1
272 1 23 ALA MB 1 25 VAL H . . 4.850 4.611 4.419 4.858 0.008 2 0 "[ . 1 . 2]" 1
273 1 24 ASN H 1 24 ASN HB2 . . 3.490 2.990 2.711 3.670 0.180 1 0 "[ . 1 . 2]" 1
274 1 24 ASN H 1 24 ASN HB3 . . 3.490 2.540 2.229 2.756 . 0 0 "[ . 1 . 2]" 1
275 1 24 ASN H 1 25 VAL H . . 3.180 2.220 2.116 2.305 . 0 0 "[ . 1 . 2]" 1
276 1 24 ASN H 1 45 LYS QD . . 5.370 4.672 4.187 4.952 . 0 0 "[ . 1 . 2]" 1
277 1 24 ASN HA 1 24 ASN HD21 . . 4.890 4.252 2.203 4.516 . 0 0 "[ . 1 . 2]" 1
278 1 24 ASN HA 1 45 LYS HB2 . . 4.280 3.471 2.762 3.962 . 0 0 "[ . 1 . 2]" 1
279 1 24 ASN QB 1 25 VAL H . . 4.260 3.312 2.809 3.861 . 0 0 "[ . 1 . 2]" 1
280 1 24 ASN QB 1 44 LEU MD1 . . 4.460 4.317 3.815 4.500 0.040 6 0 "[ . 1 . 2]" 1
281 1 24 ASN QB 1 44 LEU MD2 . . 3.690 3.133 2.947 3.701 0.011 3 0 "[ . 1 . 2]" 1
282 1 24 ASN HB2 1 25 VAL H . . 4.970 4.276 4.031 4.436 . 0 0 "[ . 1 . 2]" 1
283 1 24 ASN HB2 1 44 LEU MD2 . . 4.400 4.162 3.202 4.500 0.100 19 0 "[ . 1 . 2]" 1
284 1 24 ASN HB3 1 25 VAL H . . 4.970 3.476 2.866 4.324 . 0 0 "[ . 1 . 2]" 1
285 1 24 ASN HB3 1 44 LEU MD2 . . 4.400 3.409 3.003 4.555 0.155 3 0 "[ . 1 . 2]" 1
286 1 24 ASN HD21 1 44 LEU HB3 . . 5.500 3.683 2.694 4.081 . 0 0 "[ . 1 . 2]" 1
287 1 24 ASN HD21 1 44 LEU MD1 . . 4.930 3.090 2.325 3.544 . 0 0 "[ . 1 . 2]" 1
288 1 24 ASN HD21 1 44 LEU MD2 . . 4.710 2.429 1.606 3.143 . 0 0 "[ . 1 . 2]" 1
289 1 24 ASN HD21 1 44 LEU HG . . 5.300 5.142 4.460 5.348 0.048 9 0 "[ . 1 . 2]" 1
290 1 24 ASN HD21 1 45 LYS H . . 5.400 5.045 3.238 5.441 0.041 14 0 "[ . 1 . 2]" 1
291 1 24 ASN HD22 1 44 LEU HB3 . . 5.500 3.119 2.267 4.688 . 0 0 "[ . 1 . 2]" 1
292 1 24 ASN HD22 1 44 LEU MD1 . . 4.970 2.349 1.766 4.146 . 0 0 "[ . 1 . 2]" 1
293 1 24 ASN HD22 1 44 LEU MD2 . . 4.730 2.510 1.740 2.947 . 0 0 "[ . 1 . 2]" 1
294 1 24 ASN HD22 1 44 LEU HG . . 4.910 4.662 4.121 4.983 0.073 20 0 "[ . 1 . 2]" 1
295 1 25 VAL H 1 25 VAL HB . . 3.430 2.910 2.459 3.573 0.143 14 0 "[ . 1 . 2]" 1
296 1 25 VAL H 1 25 VAL QG . . 3.320 2.123 1.780 2.559 . 0 0 "[ . 1 . 2]" 1
297 1 25 VAL H 1 44 LEU MD2 . . 4.880 4.190 3.951 4.719 . 0 0 "[ . 1 . 2]" 1
298 1 25 VAL H 1 45 LYS H . . 5.460 4.692 4.466 4.862 . 0 0 "[ . 1 . 2]" 1
299 1 25 VAL H 1 45 LYS QD . . 5.210 4.047 3.468 4.596 . 0 0 "[ . 1 . 2]" 1
300 1 25 VAL H 1 59 TRP HH2 . . 5.500 5.438 4.855 5.573 0.073 13 0 "[ . 1 . 2]" 1
301 1 25 VAL HA 1 26 LYS H . . 3.460 2.149 2.114 2.247 . 0 0 "[ . 1 . 2]" 1
302 1 25 VAL HA 1 42 ALA MB . . 4.670 4.112 3.799 4.394 . 0 0 "[ . 1 . 2]" 1
303 1 25 VAL HA 1 44 LEU H . . 5.500 4.650 4.456 4.941 . 0 0 "[ . 1 . 2]" 1
304 1 25 VAL HA 1 44 LEU HA . . 4.270 2.135 1.850 2.500 . 0 0 "[ . 1 . 2]" 1
305 1 25 VAL HA 1 44 LEU MD2 . . 3.530 2.744 2.451 3.062 . 0 0 "[ . 1 . 2]" 1
306 1 25 VAL HA 1 45 LYS H . . 4.110 3.220 2.921 3.511 . 0 0 "[ . 1 . 2]" 1
307 1 25 VAL HA 1 45 LYS QD . . 5.500 4.558 4.118 4.797 . 0 0 "[ . 1 . 2]" 1
308 1 25 VAL HA 1 45 LYS QG . . 5.340 3.236 3.071 3.397 . 0 0 "[ . 1 . 2]" 1
309 1 25 VAL HB 1 26 LYS H . . 4.340 3.817 2.741 4.246 . 0 0 "[ . 1 . 2]" 1
310 1 25 VAL HB 1 42 ALA MB . . 3.970 3.508 2.345 4.055 0.085 5 0 "[ . 1 . 2]" 1
311 1 25 VAL HB 1 44 LEU HA . . 5.370 4.589 3.968 5.355 . 0 0 "[ . 1 . 2]" 1
312 1 25 VAL HB 1 59 TRP HH2 . . 5.390 3.784 3.184 4.906 . 0 0 "[ . 1 . 2]" 1
313 1 25 VAL QG 1 26 LYS H . . 3.860 2.733 2.390 3.392 . 0 0 "[ . 1 . 2]" 1
314 1 25 VAL QG 1 42 ALA HA . . 4.600 3.610 3.066 4.399 . 0 0 "[ . 1 . 2]" 1
315 1 25 VAL QG 1 42 ALA MB . . 2.810 1.913 1.758 2.373 . 0 0 "[ . 1 . 2]" 1
316 1 25 VAL QG 1 43 ARG HA . . 5.110 4.282 4.037 4.757 . 0 0 "[ . 1 . 2]" 1
317 1 25 VAL QG 1 43 ARG HB2 . . 5.490 4.940 4.446 5.550 0.060 15 0 "[ . 1 . 2]" 1
318 1 25 VAL QG 1 43 ARG HB3 . . 5.500 4.998 4.660 5.540 0.040 15 0 "[ . 1 . 2]" 1
319 1 25 VAL QG 1 59 TRP HH2 . . 3.680 2.385 2.011 2.750 . 0 0 "[ . 1 . 2]" 1
320 1 25 VAL QG 1 59 TRP HZ2 . . 4.100 3.320 2.873 4.023 . 0 0 "[ . 1 . 2]" 1
321 1 25 VAL QG 1 59 TRP HZ3 . . 5.300 3.473 2.615 4.394 . 0 0 "[ . 1 . 2]" 1
322 1 26 LYS H 1 26 LYS HB2 . . 3.940 3.676 3.631 3.724 . 0 0 "[ . 1 . 2]" 1
323 1 26 LYS H 1 26 LYS HB3 . . 3.940 2.832 2.724 2.972 . 0 0 "[ . 1 . 2]" 1
324 1 26 LYS H 1 26 LYS QD . . 5.500 4.068 3.930 4.148 . 0 0 "[ . 1 . 2]" 1
325 1 26 LYS H 1 26 LYS QE . . 5.340 4.543 4.458 4.612 . 0 0 "[ . 1 . 2]" 1
326 1 26 LYS H 1 26 LYS QG . . 4.220 2.195 2.072 2.282 . 0 0 "[ . 1 . 2]" 1
327 1 26 LYS H 1 27 HIS H . . 3.600 2.217 2.083 2.297 . 0 0 "[ . 1 . 2]" 1
328 1 26 LYS H 1 43 ARG H . . 4.550 4.094 3.795 4.313 . 0 0 "[ . 1 . 2]" 1
329 1 26 LYS H 1 43 ARG HB2 . . 5.500 4.944 4.586 5.470 . 0 0 "[ . 1 . 2]" 1
330 1 26 LYS H 1 43 ARG HB3 . . 5.500 4.331 3.813 4.690 . 0 0 "[ . 1 . 2]" 1
331 1 26 LYS H 1 44 LEU HA . . 4.310 2.884 2.595 3.111 . 0 0 "[ . 1 . 2]" 1
332 1 26 LYS H 1 44 LEU MD2 . . 4.240 4.108 3.799 4.293 0.053 20 0 "[ . 1 . 2]" 1
333 1 26 LYS H 1 45 LYS H . . 4.500 3.574 3.348 3.829 . 0 0 "[ . 1 . 2]" 1
334 1 26 LYS HA 1 26 LYS QD . . 4.920 4.583 4.550 4.617 . 0 0 "[ . 1 . 2]" 1
335 1 26 LYS HA 1 26 LYS HE2 . . 4.670 4.798 4.759 4.831 0.161 4 0 "[ . 1 . 2]" 1
336 1 26 LYS HA 1 26 LYS QE . . 4.030 3.977 3.880 4.028 . 0 0 "[ . 1 . 2]" 1
337 1 26 LYS HA 1 26 LYS HE3 . . 4.670 4.246 4.105 4.323 . 0 0 "[ . 1 . 2]" 1
338 1 26 LYS HA 1 26 LYS QG . . 3.950 3.344 3.325 3.356 . 0 0 "[ . 1 . 2]" 1
339 1 26 LYS HA 1 45 LYS HA . . 5.500 4.578 4.219 4.888 . 0 0 "[ . 1 . 2]" 1
340 1 26 LYS HA 1 45 LYS HB2 . . 5.500 5.272 5.058 5.432 . 0 0 "[ . 1 . 2]" 1
341 1 26 LYS HA 1 45 LYS QD . . 5.500 3.016 2.550 3.442 . 0 0 "[ . 1 . 2]" 1
342 1 26 LYS QB 1 26 LYS QE . . 4.160 1.845 1.787 1.883 . 0 0 "[ . 1 . 2]" 1
343 1 26 LYS QB 1 27 HIS H . . 3.430 3.469 3.446 3.502 0.072 9 0 "[ . 1 . 2]" 1
344 1 26 LYS QB 1 45 LYS H . . 5.340 3.826 3.585 4.077 . 0 0 "[ . 1 . 2]" 1
345 1 26 LYS QB 1 45 LYS HA . . 3.870 2.449 2.016 2.841 . 0 0 "[ . 1 . 2]" 1
346 1 26 LYS HB2 1 27 HIS H . . 4.150 3.819 3.783 3.880 . 0 0 "[ . 1 . 2]" 1
347 1 26 LYS HB2 1 45 LYS HA . . 4.420 4.056 3.603 4.456 0.036 2 0 "[ . 1 . 2]" 1
348 1 26 LYS HB3 1 27 HIS H . . 4.150 3.982 3.934 4.040 . 0 0 "[ . 1 . 2]" 1
349 1 26 LYS HB3 1 45 LYS HA . . 4.420 2.470 2.027 2.874 . 0 0 "[ . 1 . 2]" 1
350 1 26 LYS QD 1 27 HIS HD2 . . 4.300 4.379 4.351 4.405 0.105 4 0 "[ . 1 . 2]" 1
351 1 26 LYS QD 1 45 LYS HA . . 4.180 3.432 2.799 4.069 . 0 0 "[ . 1 . 2]" 1
352 1 26 LYS QE 1 26 LYS QG . . 3.260 2.263 2.240 2.287 . 0 0 "[ . 1 . 2]" 1
353 1 26 LYS QE 1 43 ARG HB3 . . 5.340 4.248 3.772 4.690 . 0 0 "[ . 1 . 2]" 1
354 1 26 LYS QE 1 45 LYS QG . . 4.460 4.417 4.298 4.489 0.029 10 0 "[ . 1 . 2]" 1
355 1 26 LYS HE2 1 26 LYS QG . . 3.920 2.353 2.327 2.379 . 0 0 "[ . 1 . 2]" 1
356 1 26 LYS HE2 1 27 HIS HD2 . . 5.500 3.912 3.848 3.980 . 0 0 "[ . 1 . 2]" 1
357 1 26 LYS HE3 1 26 LYS QG . . 3.920 2.941 2.888 2.990 . 0 0 "[ . 1 . 2]" 1
358 1 26 LYS HE3 1 27 HIS HD2 . . 5.500 5.614 5.555 5.672 0.172 4 0 "[ . 1 . 2]" 1
359 1 26 LYS QG 1 27 HIS H . . 4.690 2.097 2.000 2.181 . 0 0 "[ . 1 . 2]" 1
360 1 26 LYS QG 1 27 HIS HB2 . . 5.280 2.738 2.609 2.886 . 0 0 "[ . 1 . 2]" 1
361 1 26 LYS QG 1 27 HIS HD2 . . 5.180 4.286 4.167 4.420 . 0 0 "[ . 1 . 2]" 1
362 1 26 LYS QG 1 43 ARG QD . . 4.910 4.278 3.621 4.710 . 0 0 "[ . 1 . 2]" 1
363 1 26 LYS QG 1 45 LYS HA . . 3.840 3.472 2.873 3.845 0.005 16 0 "[ . 1 . 2]" 1
364 1 27 HIS H 1 27 HIS HD2 . . 5.500 5.184 4.949 5.351 . 0 0 "[ . 1 . 2]" 1
365 1 27 HIS H 1 42 ALA HA . . 5.500 4.397 4.049 4.630 . 0 0 "[ . 1 . 2]" 1
366 1 27 HIS H 1 42 ALA MB . . 5.340 3.811 3.488 4.009 . 0 0 "[ . 1 . 2]" 1
367 1 27 HIS H 1 43 ARG H . . 4.080 3.170 3.034 3.271 . 0 0 "[ . 1 . 2]" 1
368 1 27 HIS H 1 43 ARG HB2 . . 5.370 4.401 4.068 5.067 . 0 0 "[ . 1 . 2]" 1
369 1 27 HIS H 1 43 ARG HB3 . . 5.250 4.527 3.995 4.702 . 0 0 "[ . 1 . 2]" 1
370 1 27 HIS HB2 1 43 ARG H . . 4.930 4.981 4.937 5.026 0.096 7 0 "[ . 1 . 2]" 1
371 1 27 HIS HB3 1 43 ARG H . . 4.750 3.353 3.305 3.425 . 0 0 "[ . 1 . 2]" 1
372 1 27 HIS HB3 1 43 ARG HB2 . . 4.090 3.443 3.018 4.152 0.062 2 0 "[ . 1 . 2]" 1
373 1 27 HIS HB3 1 43 ARG HB3 . . 4.140 4.126 3.587 4.231 0.091 1 0 "[ . 1 . 2]" 1
374 1 27 HIS HD2 1 29 LYS HB2 . . 4.390 4.050 3.534 4.393 0.003 18 0 "[ . 1 . 2]" 1
375 1 27 HIS HD2 1 29 LYS HB3 . . 5.500 5.264 4.781 5.540 0.040 3 0 "[ . 1 . 2]" 1
376 1 27 HIS HD2 1 29 LYS QG . . 5.000 4.992 4.637 5.141 0.141 4 0 "[ . 1 . 2]" 1
377 1 27 HIS HE1 1 29 LYS HB2 . . 4.620 3.671 3.204 3.956 . 0 0 "[ . 1 . 2]" 1
378 1 27 HIS HE1 1 29 LYS HB3 . . 5.500 5.300 4.789 5.542 0.042 7 0 "[ . 1 . 2]" 1
379 1 27 HIS HE1 1 29 LYS QG . . 5.500 3.628 2.783 4.609 . 0 0 "[ . 1 . 2]" 1
380 1 28 LEU H 1 28 LEU HG . . 5.500 3.577 2.555 4.674 . 0 0 "[ . 1 . 2]" 1
381 1 28 LEU HA 1 28 LEU QD . . 3.980 2.278 1.990 3.047 . 0 0 "[ . 1 . 2]" 1
382 1 28 LEU HA 1 29 LYS H . . 3.480 2.197 2.101 2.281 . 0 0 "[ . 1 . 2]" 1
383 1 28 LEU HA 1 42 ALA HA . . 3.850 2.615 2.312 2.923 . 0 0 "[ . 1 . 2]" 1
384 1 28 LEU HA 1 42 ALA MB . . 3.640 2.573 2.302 2.974 . 0 0 "[ . 1 . 2]" 1
385 1 28 LEU HA 1 43 ARG H . . 4.650 4.128 3.900 4.508 . 0 0 "[ . 1 . 2]" 1
386 1 28 LEU HA 1 53 ILE MD . . 5.220 4.175 3.989 4.383 . 0 0 "[ . 1 . 2]" 1
387 1 28 LEU HB2 1 29 LYS H . . 4.810 4.177 3.945 4.517 . 0 0 "[ . 1 . 2]" 1
388 1 28 LEU HB2 1 42 ALA HA . . 5.500 5.370 4.866 5.633 0.133 17 0 "[ . 1 . 2]" 1
389 1 28 LEU HB2 1 63 TYR QE . . 5.500 4.121 3.078 5.478 . 0 0 "[ . 1 . 2]" 1
390 1 28 LEU HB3 1 29 LYS H . . 4.590 3.466 2.928 4.201 . 0 0 "[ . 1 . 2]" 1
391 1 28 LEU HB3 1 63 TYR QE . . 5.500 3.933 3.525 4.537 . 0 0 "[ . 1 . 2]" 1
392 1 28 LEU QD 1 29 LYS H . . 4.810 3.382 2.343 4.344 . 0 0 "[ . 1 . 2]" 1
393 1 28 LEU QD 1 42 ALA HA . . 4.370 3.483 2.920 4.295 . 0 0 "[ . 1 . 2]" 1
394 1 28 LEU QD 1 42 ALA MB . . 2.850 2.079 1.759 2.889 0.039 7 0 "[ . 1 . 2]" 1
395 1 28 LEU QD 1 53 ILE MD . . 2.400 2.101 1.871 2.421 0.021 7 0 "[ . 1 . 2]" 1
396 1 28 LEU QD 1 59 TRP HZ3 . . 5.440 2.414 1.944 2.970 . 0 0 "[ . 1 . 2]" 1
397 1 28 LEU QD 1 60 ILE HA . . 5.440 4.236 3.835 4.908 . 0 0 "[ . 1 . 2]" 1
398 1 28 LEU QD 1 63 TYR HB3 . . 5.440 4.126 3.752 4.941 . 0 0 "[ . 1 . 2]" 1
399 1 28 LEU QD 1 63 TYR QD . . 4.810 3.086 2.845 3.451 . 0 0 "[ . 1 . 2]" 1
400 1 28 LEU QD 1 63 TYR QE . . 4.610 2.760 2.410 3.127 . 0 0 "[ . 1 . 2]" 1
401 1 28 LEU MD1 1 29 LYS H . . 5.500 4.174 2.447 5.134 . 0 0 "[ . 1 . 2]" 1
402 1 28 LEU MD1 1 42 ALA MB . . 4.260 3.432 1.869 4.171 . 0 0 "[ . 1 . 2]" 1
403 1 28 LEU MD1 1 59 TRP HH2 . . 4.780 3.067 1.914 4.694 . 0 0 "[ . 1 . 2]" 1
404 1 28 LEU MD1 1 63 TYR QD . . 5.500 3.643 2.873 4.795 . 0 0 "[ . 1 . 2]" 1
405 1 28 LEU MD1 1 63 TYR QE . . 5.500 3.224 2.420 4.494 . 0 0 "[ . 1 . 2]" 1
406 1 28 LEU MD2 1 29 LYS H . . 5.500 3.979 2.781 4.887 . 0 0 "[ . 1 . 2]" 1
407 1 28 LEU MD2 1 42 ALA MB . . 4.260 2.584 1.761 4.236 . 0 0 "[ . 1 . 2]" 1
408 1 28 LEU MD2 1 59 TRP HH2 . . 4.780 2.323 1.950 3.311 . 0 0 "[ . 1 . 2]" 1
409 1 28 LEU MD2 1 63 TYR QD . . 5.500 4.128 2.916 5.199 . 0 0 "[ . 1 . 2]" 1
410 1 28 LEU MD2 1 63 TYR QE . . 5.500 3.946 2.711 5.016 . 0 0 "[ . 1 . 2]" 1
411 1 28 LEU HG 1 29 LYS H . . 5.410 4.688 3.222 5.269 . 0 0 "[ . 1 . 2]" 1
412 1 29 LYS H 1 29 LYS QD . . 5.180 4.671 4.445 5.086 . 0 0 "[ . 1 . 2]" 1
413 1 29 LYS H 1 29 LYS QG . . 4.370 4.249 4.009 4.349 . 0 0 "[ . 1 . 2]" 1
414 1 29 LYS H 1 40 ILE MG . . 4.240 3.312 3.137 3.534 . 0 0 "[ . 1 . 2]" 1
415 1 29 LYS H 1 41 VAL H . . 4.130 3.113 2.809 3.284 . 0 0 "[ . 1 . 2]" 1
416 1 29 LYS H 1 41 VAL HB . . 4.490 3.622 3.223 3.880 . 0 0 "[ . 1 . 2]" 1
417 1 29 LYS H 1 41 VAL QG . . 4.220 3.944 3.740 4.120 . 0 0 "[ . 1 . 2]" 1
418 1 29 LYS H 1 42 ALA HA . . 4.710 3.282 2.925 3.658 . 0 0 "[ . 1 . 2]" 1
419 1 29 LYS H 1 42 ALA MB . . 3.970 3.555 3.228 3.986 0.016 20 0 "[ . 1 . 2]" 1
420 1 29 LYS HA 1 29 LYS QD . . 4.700 3.166 2.504 4.120 . 0 0 "[ . 1 . 2]" 1
421 1 29 LYS HA 1 29 LYS QE . . 5.180 3.877 1.802 4.622 . 0 0 "[ . 1 . 2]" 1
422 1 29 LYS HA 1 29 LYS QG . . 3.980 2.494 2.368 3.080 . 0 0 "[ . 1 . 2]" 1
423 1 29 LYS HA 1 41 VAL HB . . 5.500 4.976 4.789 5.099 . 0 0 "[ . 1 . 2]" 1
424 1 29 LYS HB2 1 29 LYS QE . . 3.320 3.282 2.800 3.505 0.185 18 0 "[ . 1 . 2]" 1
425 1 29 LYS HB2 1 29 LYS QG . . 2.670 2.213 2.138 2.367 . 0 0 "[ . 1 . 2]" 1
426 1 29 LYS HB2 1 30 ILE H . . 4.510 4.567 4.546 4.595 0.085 1 0 "[ . 1 . 2]" 1
427 1 29 LYS HB2 1 41 VAL H . . 5.500 5.042 4.872 5.184 . 0 0 "[ . 1 . 2]" 1
428 1 29 LYS HB2 1 41 VAL HB . . 4.010 4.011 3.916 4.052 0.042 13 0 "[ . 1 . 2]" 1
429 1 29 LYS HB2 1 41 VAL QG . . 4.010 4.086 4.060 4.124 0.114 2 0 "[ . 1 . 2]" 1
430 1 29 LYS HB3 1 29 LYS QE . . 3.720 2.140 1.917 3.748 0.028 6 0 "[ . 1 . 2]" 1
431 1 29 LYS HB3 1 30 ILE H . . 4.530 4.225 4.050 4.376 . 0 0 "[ . 1 . 2]" 1
432 1 29 LYS HB3 1 41 VAL H . . 5.500 3.745 3.398 3.992 . 0 0 "[ . 1 . 2]" 1
433 1 29 LYS HB3 1 41 VAL HB . . 4.070 2.464 2.289 2.709 . 0 0 "[ . 1 . 2]" 1
434 1 29 LYS HB3 1 41 VAL QG . . 3.920 3.185 3.010 3.381 . 0 0 "[ . 1 . 2]" 1
435 1 29 LYS QD 1 30 ILE H . . 5.500 3.567 2.543 5.484 . 0 0 "[ . 1 . 2]" 1
436 1 29 LYS QE 1 29 LYS QG . . 3.400 2.422 2.269 2.817 . 0 0 "[ . 1 . 2]" 1
437 1 29 LYS QG 1 30 ILE H . . 4.430 3.779 3.297 4.195 . 0 0 "[ . 1 . 2]" 1
438 1 30 ILE H 1 30 ILE HB . . 3.510 2.688 2.645 2.729 . 0 0 "[ . 1 . 2]" 1
439 1 30 ILE H 1 30 ILE MD . . 4.290 3.882 3.805 3.940 . 0 0 "[ . 1 . 2]" 1
440 1 30 ILE H 1 30 ILE HG12 . . 4.410 3.484 3.387 3.586 . 0 0 "[ . 1 . 2]" 1
441 1 30 ILE H 1 30 ILE HG13 . . 4.420 2.387 2.278 2.471 . 0 0 "[ . 1 . 2]" 1
442 1 30 ILE H 1 30 ILE MG . . 4.050 3.854 3.809 3.889 . 0 0 "[ . 1 . 2]" 1
443 1 30 ILE HA 1 30 ILE MD . . 4.500 3.828 3.809 3.850 . 0 0 "[ . 1 . 2]" 1
444 1 30 ILE HA 1 40 ILE HA . . 3.870 1.952 1.900 2.008 . 0 0 "[ . 1 . 2]" 1
445 1 30 ILE HA 1 40 ILE HB . . 4.970 4.857 4.786 4.957 . 0 0 "[ . 1 . 2]" 1
446 1 30 ILE HA 1 40 ILE MD . . 4.860 4.909 4.841 4.966 0.106 8 0 "[ . 1 . 2]" 1
447 1 30 ILE HA 1 40 ILE HG12 . . 4.930 3.596 3.519 3.670 . 0 0 "[ . 1 . 2]" 1
448 1 30 ILE HA 1 40 ILE HG13 . . 5.290 4.517 4.391 4.629 . 0 0 "[ . 1 . 2]" 1
449 1 30 ILE HA 1 40 ILE MG . . 4.300 3.188 2.964 3.440 . 0 0 "[ . 1 . 2]" 1
450 1 30 ILE HA 1 41 VAL H . . 4.470 2.531 2.377 2.670 . 0 0 "[ . 1 . 2]" 1
451 1 30 ILE HB 1 30 ILE MD . . 3.630 2.512 2.486 2.535 . 0 0 "[ . 1 . 2]" 1
452 1 30 ILE HB 1 30 ILE HG12 . . 2.980 3.008 2.999 3.013 0.033 3 0 "[ . 1 . 2]" 1
453 1 30 ILE HB 1 40 ILE HA . . 4.420 4.387 4.313 4.434 0.014 13 0 "[ . 1 . 2]" 1
454 1 30 ILE HB 1 41 VAL H . . 5.400 5.410 5.297 5.484 0.084 7 0 "[ . 1 . 2]" 1
455 1 30 ILE MD 1 40 ILE HA . . 4.110 3.885 3.747 3.987 . 0 0 "[ . 1 . 2]" 1
456 1 30 ILE MD 1 40 ILE MD . . 2.500 2.586 2.566 2.617 0.117 4 0 "[ . 1 . 2]" 1
457 1 30 ILE MD 1 40 ILE HG12 . . 4.100 2.136 2.045 2.236 . 0 0 "[ . 1 . 2]" 1
458 1 30 ILE MD 1 40 ILE MG . . 3.080 2.919 2.756 3.044 . 0 0 "[ . 1 . 2]" 1
459 1 30 ILE MD 1 41 VAL H . . 5.320 5.108 4.956 5.219 . 0 0 "[ . 1 . 2]" 1
460 1 30 ILE MD 1 55 PRO HA . . 5.370 4.551 4.290 4.802 . 0 0 "[ . 1 . 2]" 1
461 1 30 ILE MD 1 60 ILE MD . . 4.120 3.583 3.265 3.912 . 0 0 "[ . 1 . 2]" 1
462 1 30 ILE MD 1 63 TYR QD . . 5.500 2.983 2.561 3.421 . 0 0 "[ . 1 . 2]" 1
463 1 30 ILE MD 1 63 TYR QE . . 4.850 1.958 1.829 2.152 . 0 0 "[ . 1 . 2]" 1
464 1 30 ILE HG12 1 30 ILE MG . . 3.170 2.330 2.299 2.362 . 0 0 "[ . 1 . 2]" 1
465 1 30 ILE HG12 1 40 ILE HA . . 4.500 2.530 2.273 2.717 . 0 0 "[ . 1 . 2]" 1
466 1 30 ILE HG12 1 40 ILE HB . . 4.090 4.084 4.010 4.115 0.025 3 0 "[ . 1 . 2]" 1
467 1 30 ILE HG12 1 40 ILE MD . . 3.950 3.243 3.134 3.356 . 0 0 "[ . 1 . 2]" 1
468 1 30 ILE HG12 1 40 ILE HG12 . . 3.600 2.012 1.970 2.084 . 0 0 "[ . 1 . 2]" 1
469 1 30 ILE HG12 1 40 ILE MG . . 3.900 1.855 1.812 1.897 . 0 0 "[ . 1 . 2]" 1
470 1 30 ILE HG12 1 41 VAL H . . 5.500 3.678 3.505 3.810 . 0 0 "[ . 1 . 2]" 1
471 1 30 ILE HG12 1 63 TYR QE . . 5.500 4.061 3.710 4.333 . 0 0 "[ . 1 . 2]" 1
472 1 30 ILE HG13 1 30 ILE MG . . 3.560 3.182 3.172 3.192 . 0 0 "[ . 1 . 2]" 1
473 1 30 ILE HG13 1 40 ILE HA . . 4.240 4.001 3.757 4.184 . 0 0 "[ . 1 . 2]" 1
474 1 30 ILE HG13 1 40 ILE HG12 . . 3.690 3.636 3.570 3.702 0.012 20 0 "[ . 1 . 2]" 1
475 1 30 ILE HG13 1 40 ILE MG . . 4.080 2.992 2.919 3.041 . 0 0 "[ . 1 . 2]" 1
476 1 30 ILE HG13 1 41 VAL H . . 5.440 4.560 4.326 4.718 . 0 0 "[ . 1 . 2]" 1
477 1 30 ILE HG13 1 63 TYR QE . . 5.500 3.195 2.644 3.804 . 0 0 "[ . 1 . 2]" 1
478 1 30 ILE MG 1 38 LEU HA . . 4.890 3.683 3.282 4.135 . 0 0 "[ . 1 . 2]" 1
479 1 30 ILE MG 1 40 ILE HA . . 3.650 2.263 2.143 2.389 . 0 0 "[ . 1 . 2]" 1
480 1 30 ILE MG 1 40 ILE HB . . 3.980 4.097 4.076 4.125 0.145 6 0 "[ . 1 . 2]" 1
481 1 30 ILE MG 1 40 ILE HG12 . . 3.430 2.021 1.959 2.128 . 0 0 "[ . 1 . 2]" 1
482 1 30 ILE MG 1 41 VAL H . . 4.200 4.036 3.906 4.139 . 0 0 "[ . 1 . 2]" 1
483 1 30 ILE MG 1 63 TYR QE . . 5.500 4.692 4.514 4.990 . 0 0 "[ . 1 . 2]" 1
484 1 31 LEU H 1 31 LEU QD . . 4.700 3.760 3.101 3.867 . 0 0 "[ . 1 . 2]" 1
485 1 31 LEU H 1 31 LEU HG . . 4.760 4.226 2.748 4.640 . 0 0 "[ . 1 . 2]" 1
486 1 31 LEU H 1 39 GLN H . . 5.450 3.373 3.028 3.812 . 0 0 "[ . 1 . 2]" 1
487 1 31 LEU H 1 40 ILE HA . . 5.110 2.957 2.639 3.234 . 0 0 "[ . 1 . 2]" 1
488 1 31 LEU HA 1 31 LEU QD . . 3.500 2.130 2.028 2.208 . 0 0 "[ . 1 . 2]" 1
489 1 31 LEU QB 1 32 ASN H . . 4.590 3.765 2.931 3.967 . 0 0 "[ . 1 . 2]" 1
490 1 31 LEU QB 1 39 GLN H . . 4.370 3.641 2.846 4.096 . 0 0 "[ . 1 . 2]" 1
491 1 31 LEU QB 1 39 GLN HB2 . . 4.030 2.736 1.993 2.995 . 0 0 "[ . 1 . 2]" 1
492 1 31 LEU QB 1 39 GLN HE21 . . 5.260 4.325 2.960 5.412 0.152 20 0 "[ . 1 . 2]" 1
493 1 31 LEU QB 1 39 GLN HE22 . . 5.500 4.822 3.741 5.262 . 0 0 "[ . 1 . 2]" 1
494 1 31 LEU QB 1 39 GLN HG2 . . 5.500 5.338 3.843 5.631 0.131 7 0 "[ . 1 . 2]" 1
495 1 31 LEU QB 1 39 GLN HG3 . . 5.480 5.183 4.672 5.563 0.083 6 0 "[ . 1 . 2]" 1
496 1 31 LEU QD 1 32 ASN H . . 5.070 2.566 1.859 3.640 . 0 0 "[ . 1 . 2]" 1
497 1 31 LEU QD 1 32 ASN HD21 . . 5.050 4.692 3.857 5.107 0.057 3 0 "[ . 1 . 2]" 1
498 1 31 LEU QD 1 32 ASN HD22 . . 5.390 4.831 4.139 5.422 0.032 17 0 "[ . 1 . 2]" 1
499 1 31 LEU QD 1 33 THR H . . 5.500 4.744 3.679 5.544 0.044 18 0 "[ . 1 . 2]" 1
500 1 31 LEU HG 1 39 GLN H . . 5.280 4.640 4.215 5.401 0.121 16 0 "[ . 1 . 2]" 1
501 1 32 ASN H 1 32 ASN HB2 . . 4.120 3.729 3.641 3.839 . 0 0 "[ . 1 . 2]" 1
502 1 32 ASN HA 1 33 THR H . . 3.470 2.131 2.049 2.208 . 0 0 "[ . 1 . 2]" 1
503 1 32 ASN HA 1 38 LEU HA . . 5.140 2.136 1.830 2.568 . 0 0 "[ . 1 . 2]" 1
504 1 32 ASN HA 1 38 LEU QD . . 4.170 3.441 2.309 4.242 0.072 11 0 "[ . 1 . 2]" 1
505 1 32 ASN HA 1 39 GLN H . . 5.080 2.982 2.667 3.515 . 0 0 "[ . 1 . 2]" 1
506 1 32 ASN HB2 1 33 THR H . . 5.500 3.334 3.146 3.650 . 0 0 "[ . 1 . 2]" 1
507 1 32 ASN HB2 1 38 LEU HB2 . . 5.080 4.567 4.086 5.049 . 0 0 "[ . 1 . 2]" 1
508 1 32 ASN HB2 1 38 LEU QD . . 4.300 3.671 3.014 4.330 0.030 6 0 "[ . 1 . 2]" 1
509 1 32 ASN HB3 1 33 THR H . . 5.320 4.217 4.093 4.381 . 0 0 "[ . 1 . 2]" 1
510 1 32 ASN HB3 1 38 LEU HB2 . . 5.500 3.994 3.205 4.830 . 0 0 "[ . 1 . 2]" 1
511 1 32 ASN HB3 1 38 LEU QD . . 4.280 2.918 2.020 3.953 . 0 0 "[ . 1 . 2]" 1
512 1 33 THR H 1 33 THR MG . . 4.420 3.833 3.775 3.870 . 0 0 "[ . 1 . 2]" 1
513 1 33 THR H 1 36 CYS H . . 4.830 4.525 4.087 4.871 0.041 19 0 "[ . 1 . 2]" 1
514 1 33 THR H 1 36 CYS HB2 . . 5.500 4.318 3.792 5.542 0.042 3 0 "[ . 1 . 2]" 1
515 1 33 THR H 1 36 CYS HB3 . . 5.500 5.392 3.963 5.550 0.050 20 0 "[ . 1 . 2]" 1
516 1 33 THR H 1 37 ALA H . . 5.040 3.773 3.120 4.191 . 0 0 "[ . 1 . 2]" 1
517 1 33 THR H 1 37 ALA HA . . 5.480 4.078 3.570 5.089 . 0 0 "[ . 1 . 2]" 1
518 1 33 THR H 1 39 GLN HE21 . . 5.500 3.237 2.603 4.853 . 0 0 "[ . 1 . 2]" 1
519 1 33 THR H 1 39 GLN HE22 . . 5.500 3.681 2.914 4.703 . 0 0 "[ . 1 . 2]" 1
520 1 33 THR HA 1 34 PRO HD2 . . 3.510 2.271 2.046 2.736 . 0 0 "[ . 1 . 2]" 1
521 1 33 THR HA 1 34 PRO HD3 . . 3.120 2.201 1.913 2.681 . 0 0 "[ . 1 . 2]" 1
522 1 33 THR HB 1 34 PRO HD2 . . 4.130 4.138 3.957 4.291 0.161 8 0 "[ . 1 . 2]" 1
523 1 33 THR HB 1 36 CYS H . . 5.500 2.964 2.461 3.592 . 0 0 "[ . 1 . 2]" 1
524 1 33 THR HB 1 36 CYS HB2 . . 4.620 2.010 1.821 3.158 . 0 0 "[ . 1 . 2]" 1
525 1 33 THR HB 1 36 CYS HB3 . . 4.240 3.405 1.908 3.699 . 0 0 "[ . 1 . 2]" 1
526 1 33 THR HB 1 39 GLN HE21 . . 5.260 2.997 2.325 4.066 . 0 0 "[ . 1 . 2]" 1
527 1 33 THR HB 1 39 GLN HE22 . . 5.210 2.316 1.845 3.128 . 0 0 "[ . 1 . 2]" 1
528 1 33 THR MG 1 34 PRO HD2 . . 3.770 2.110 1.990 2.430 . 0 0 "[ . 1 . 2]" 1
529 1 33 THR MG 1 34 PRO HD3 . . 3.410 3.323 2.981 3.453 0.043 10 0 "[ . 1 . 2]" 1
530 1 33 THR MG 1 35 ASN H . . 5.300 2.541 1.948 4.909 . 0 0 "[ . 1 . 2]" 1
531 1 33 THR MG 1 36 CYS H . . 4.400 2.711 2.031 3.380 . 0 0 "[ . 1 . 2]" 1
532 1 33 THR MG 1 36 CYS HB2 . . 4.940 2.449 2.117 3.168 . 0 0 "[ . 1 . 2]" 1
533 1 33 THR MG 1 36 CYS HB3 . . 4.790 3.720 2.690 4.234 . 0 0 "[ . 1 . 2]" 1
534 1 33 THR MG 1 39 GLN HE22 . . 5.500 3.185 2.901 3.550 . 0 0 "[ . 1 . 2]" 1
535 1 34 PRO HB2 1 35 ASN HD21 . . 5.500 3.578 2.421 4.908 . 0 0 "[ . 1 . 2]" 1
536 1 34 PRO HB2 1 35 ASN HD22 . . 5.500 3.757 3.043 4.609 . 0 0 "[ . 1 . 2]" 1
537 1 34 PRO HB3 1 35 ASN H . . 4.590 3.940 3.152 4.626 0.036 20 0 "[ . 1 . 2]" 1
538 1 34 PRO HB3 1 35 ASN HD21 . . 5.200 4.746 3.411 5.382 0.182 13 0 "[ . 1 . 2]" 1
539 1 34 PRO HB3 1 35 ASN HD22 . . 5.500 4.806 3.467 5.570 0.070 4 0 "[ . 1 . 2]" 1
540 1 34 PRO HD2 1 35 ASN H . . 5.140 3.675 3.143 5.245 0.105 11 0 "[ . 1 . 2]" 1
541 1 34 PRO HD3 1 35 ASN H . . 5.500 4.538 4.135 5.432 . 0 0 "[ . 1 . 2]" 1
542 1 34 PRO QG 1 35 ASN H . . 4.750 3.966 2.715 4.633 . 0 0 "[ . 1 . 2]" 1
543 1 34 PRO HG2 1 35 ASN H . . 5.500 4.292 2.749 5.529 0.029 11 0 "[ . 1 . 2]" 1
544 1 34 PRO HG3 1 35 ASN H . . 5.500 4.786 4.216 5.150 . 0 0 "[ . 1 . 2]" 1
545 1 35 ASN H 1 35 ASN HB2 . . 4.210 3.220 2.559 4.105 . 0 0 "[ . 1 . 2]" 1
546 1 35 ASN H 1 35 ASN HD21 . . 5.500 3.881 2.592 5.095 . 0 0 "[ . 1 . 2]" 1
547 1 35 ASN H 1 35 ASN HD22 . . 5.500 4.484 3.913 5.153 . 0 0 "[ . 1 . 2]" 1
548 1 35 ASN H 1 36 CYS H . . 3.730 1.928 1.676 2.802 . 0 0 "[ . 1 . 2]" 1
549 1 35 ASN H 1 37 ALA MB . . 5.500 5.622 5.389 5.754 0.254 3 0 "[ . 1 . 2]" 1
550 1 36 CYS H 1 36 CYS HB2 . . 4.110 2.580 2.411 3.124 . 0 0 "[ . 1 . 2]" 1
551 1 36 CYS H 1 36 CYS HB3 . . 3.710 3.629 2.541 3.779 0.069 10 0 "[ . 1 . 2]" 1
552 1 36 CYS H 1 37 ALA H . . 4.020 2.238 1.797 2.976 . 0 0 "[ . 1 . 2]" 1
553 1 36 CYS HA 1 37 ALA H . . 3.480 3.264 3.045 3.538 0.058 10 0 "[ . 1 . 2]" 1
554 1 36 CYS HB2 1 37 ALA H . . 3.840 3.346 1.883 3.847 0.007 9 0 "[ . 1 . 2]" 1
555 1 36 CYS HB2 1 39 GLN HE21 . . 4.980 3.603 2.995 4.987 0.007 3 0 "[ . 1 . 2]" 1
556 1 36 CYS HB2 1 39 GLN HE22 . . 5.310 2.665 2.078 4.681 . 0 0 "[ . 1 . 2]" 1
557 1 36 CYS HB3 1 37 ALA H . . 4.290 3.960 1.960 4.327 0.037 4 0 "[ . 1 . 2]" 1
558 1 36 CYS HB3 1 39 GLN HE21 . . 4.980 3.849 2.452 5.064 0.084 8 0 "[ . 1 . 2]" 1
559 1 36 CYS HB3 1 39 GLN HE22 . . 5.190 3.194 2.644 4.167 . 0 0 "[ . 1 . 2]" 1
560 1 36 CYS HB3 1 39 GLN HG3 . . 5.140 4.301 3.941 5.153 0.013 20 0 "[ . 1 . 2]" 1
561 1 37 ALA H 1 37 ALA MB . . 3.130 2.848 2.782 2.949 . 0 0 "[ . 1 . 2]" 1
562 1 37 ALA H 1 38 LEU H . . 5.060 4.518 4.124 4.675 . 0 0 "[ . 1 . 2]" 1
563 1 37 ALA HA 1 38 LEU H . . 3.260 2.783 2.608 3.408 0.148 6 0 "[ . 1 . 2]" 1
564 1 37 ALA MB 1 38 LEU H . . 3.240 1.935 1.790 2.193 . 0 0 "[ . 1 . 2]" 1
565 1 37 ALA MB 1 39 GLN HE21 . . 4.720 4.448 3.369 4.831 0.111 9 0 "[ . 1 . 2]" 1
566 1 37 ALA MB 1 39 GLN HE22 . . 5.300 5.108 3.789 5.386 0.086 16 0 "[ . 1 . 2]" 1
567 1 38 LEU H 1 38 LEU HB2 . . 3.780 3.063 2.229 3.868 0.088 6 0 "[ . 1 . 2]" 1
568 1 38 LEU H 1 38 LEU HB3 . . 3.540 2.620 2.109 3.558 0.018 6 0 "[ . 1 . 2]" 1
569 1 38 LEU H 1 38 LEU MD1 . . 4.590 3.498 2.815 4.101 . 0 0 "[ . 1 . 2]" 1
570 1 38 LEU H 1 38 LEU QD . . 3.970 3.219 2.731 3.640 . 0 0 "[ . 1 . 2]" 1
571 1 38 LEU H 1 38 LEU MD2 . . 4.590 3.853 3.563 4.178 . 0 0 "[ . 1 . 2]" 1
572 1 38 LEU H 1 38 LEU HG . . 3.720 3.075 2.082 3.983 0.263 5 0 "[ . 1 . 2]" 1
573 1 38 LEU HA 1 38 LEU MD1 . . 3.910 2.884 2.052 3.707 . 0 0 "[ . 1 . 2]" 1
574 1 38 LEU HA 1 38 LEU QD . . 3.410 2.743 2.045 3.419 0.009 9 0 "[ . 1 . 2]" 1
575 1 38 LEU HA 1 38 LEU MD2 . . 3.910 3.951 3.865 4.028 0.118 8 0 "[ . 1 . 2]" 1
576 1 38 LEU HB3 1 38 LEU MD1 . . 3.360 3.191 3.167 3.219 . 0 0 "[ . 1 . 2]" 1
577 1 38 LEU HB3 1 38 LEU QD . . 2.880 2.171 2.114 2.228 . 0 0 "[ . 1 . 2]" 1
578 1 38 LEU HB3 1 38 LEU MD2 . . 3.360 2.210 2.146 2.276 . 0 0 "[ . 1 . 2]" 1
579 1 38 LEU QD 1 39 GLN H . . 4.030 3.400 2.684 4.054 0.024 14 0 "[ . 1 . 2]" 1
580 1 38 LEU QD 1 55 PRO HA . . 4.310 3.805 3.057 4.319 0.009 15 0 "[ . 1 . 2]" 1
581 1 38 LEU QD 1 55 PRO QG . . 3.000 2.866 2.418 3.054 0.054 5 0 "[ . 1 . 2]" 1
582 1 39 GLN H 1 39 GLN HE21 . . 5.500 3.051 1.897 4.333 . 0 0 "[ . 1 . 2]" 1
583 1 39 GLN H 1 39 GLN HE22 . . 5.500 4.444 3.483 5.184 . 0 0 "[ . 1 . 2]" 1
584 1 39 GLN H 1 39 GLN HG2 . . 4.880 4.174 3.798 4.584 . 0 0 "[ . 1 . 2]" 1
585 1 39 GLN H 1 39 GLN HG3 . . 4.780 3.061 2.488 4.052 . 0 0 "[ . 1 . 2]" 1
586 1 39 GLN HB2 1 39 GLN HE22 . . 5.250 3.607 3.133 4.538 . 0 0 "[ . 1 . 2]" 1
587 1 39 GLN HB2 1 39 GLN HG3 . . 2.980 2.698 2.507 2.989 0.009 20 0 "[ . 1 . 2]" 1
588 1 39 GLN HB2 1 40 ILE H . . 5.460 4.182 4.072 4.293 . 0 0 "[ . 1 . 2]" 1
589 1 39 GLN HB2 1 41 VAL QG . . 4.960 4.018 3.124 4.385 . 0 0 "[ . 1 . 2]" 1
590 1 39 GLN HB3 1 40 ILE H . . 5.010 3.276 3.066 3.412 . 0 0 "[ . 1 . 2]" 1
591 1 40 ILE H 1 40 ILE HB . . 4.050 2.388 2.293 2.464 . 0 0 "[ . 1 . 2]" 1
592 1 40 ILE H 1 40 ILE MD . . 4.750 3.629 3.490 3.743 . 0 0 "[ . 1 . 2]" 1
593 1 40 ILE H 1 40 ILE HG12 . . 4.400 3.659 3.579 3.762 . 0 0 "[ . 1 . 2]" 1
594 1 40 ILE H 1 40 ILE HG13 . . 5.110 2.390 2.282 2.531 . 0 0 "[ . 1 . 2]" 1
595 1 40 ILE H 1 40 ILE MG . . 4.550 3.761 3.719 3.803 . 0 0 "[ . 1 . 2]" 1
596 1 40 ILE H 1 53 ILE H . . 5.500 3.166 2.982 3.470 . 0 0 "[ . 1 . 2]" 1
597 1 40 ILE HA 1 40 ILE MD . . 3.800 3.828 3.809 3.843 0.043 11 0 "[ . 1 . 2]" 1
598 1 40 ILE HA 1 40 ILE MG . . 3.350 2.402 2.355 2.467 . 0 0 "[ . 1 . 2]" 1
599 1 40 ILE HB 1 40 ILE MD . . 3.170 2.405 2.386 2.433 . 0 0 "[ . 1 . 2]" 1
600 1 40 ILE HB 1 41 VAL H . . 5.500 4.101 4.021 4.253 . 0 0 "[ . 1 . 2]" 1
601 1 40 ILE HB 1 53 ILE H . . 4.600 2.268 2.162 2.386 . 0 0 "[ . 1 . 2]" 1
602 1 40 ILE HB 1 53 ILE HB . . 3.660 1.997 1.883 2.286 . 0 0 "[ . 1 . 2]" 1
603 1 40 ILE HB 1 53 ILE HG12 . . 5.500 4.618 4.538 4.875 . 0 0 "[ . 1 . 2]" 1
604 1 40 ILE HB 1 53 ILE HG13 . . 4.670 3.686 3.512 3.971 . 0 0 "[ . 1 . 2]" 1
605 1 40 ILE HB 1 53 ILE MG . . 4.880 3.336 3.201 3.573 . 0 0 "[ . 1 . 2]" 1
606 1 40 ILE HB 1 55 PRO HA . . 5.500 5.014 4.747 5.349 . 0 0 "[ . 1 . 2]" 1
607 1 40 ILE HB 1 60 ILE MD . . 5.140 4.571 4.394 4.846 . 0 0 "[ . 1 . 2]" 1
608 1 40 ILE MD 1 40 ILE MG . . 2.400 1.890 1.837 1.939 . 0 0 "[ . 1 . 2]" 1
609 1 40 ILE MD 1 54 ASP HA . . 5.360 3.755 3.583 3.942 . 0 0 "[ . 1 . 2]" 1
610 1 40 ILE MD 1 54 ASP HB2 . . 5.090 5.277 5.215 5.326 0.236 4 0 "[ . 1 . 2]" 1
611 1 40 ILE MD 1 54 ASP HB3 . . 4.970 4.891 4.757 4.975 0.005 7 0 "[ . 1 . 2]" 1
612 1 40 ILE MD 1 55 PRO HA . . 3.750 2.024 1.879 2.330 . 0 0 "[ . 1 . 2]" 1
613 1 40 ILE MD 1 55 PRO HD3 . . 4.930 3.267 2.948 3.688 . 0 0 "[ . 1 . 2]" 1
614 1 40 ILE MD 1 56 LYS H . . 5.500 4.550 4.316 4.837 . 0 0 "[ . 1 . 2]" 1
615 1 40 ILE MD 1 60 ILE MD . . 3.630 2.353 2.151 2.622 . 0 0 "[ . 1 . 2]" 1
616 1 40 ILE MD 1 63 TYR QD . . 4.510 4.212 3.995 4.496 . 0 0 "[ . 1 . 2]" 1
617 1 40 ILE MD 1 63 TYR QE . . 5.500 4.510 4.173 4.962 . 0 0 "[ . 1 . 2]" 1
618 1 40 ILE HG12 1 40 ILE MG . . 3.530 2.440 2.420 2.465 . 0 0 "[ . 1 . 2]" 1
619 1 40 ILE HG12 1 55 PRO HA . . 5.500 4.392 4.033 4.737 . 0 0 "[ . 1 . 2]" 1
620 1 40 ILE HG13 1 40 ILE MG . . 3.730 3.231 3.211 3.241 . 0 0 "[ . 1 . 2]" 1
621 1 40 ILE HG13 1 55 PRO HA . . 5.500 3.823 3.345 4.225 . 0 0 "[ . 1 . 2]" 1
622 1 40 ILE MG 1 41 VAL H . . 4.340 2.671 2.481 2.991 . 0 0 "[ . 1 . 2]" 1
623 1 40 ILE MG 1 53 ILE H . . 4.450 3.045 2.916 3.181 . 0 0 "[ . 1 . 2]" 1
624 1 40 ILE MG 1 55 PRO HA . . 5.500 4.861 4.598 5.231 . 0 0 "[ . 1 . 2]" 1
625 1 40 ILE MG 1 60 ILE MD . . 3.450 2.800 2.522 3.121 . 0 0 "[ . 1 . 2]" 1
626 1 41 VAL H 1 41 VAL HB . . 3.940 2.543 2.496 2.604 . 0 0 "[ . 1 . 2]" 1
627 1 41 VAL H 1 41 VAL QG . . 3.590 2.609 2.510 2.706 . 0 0 "[ . 1 . 2]" 1
628 1 41 VAL H 1 42 ALA H . . 5.500 4.307 4.228 4.376 . 0 0 "[ . 1 . 2]" 1
629 1 41 VAL HA 1 42 ALA H . . 3.340 2.155 2.088 2.204 . 0 0 "[ . 1 . 2]" 1
630 1 41 VAL HA 1 52 CYS HA . . 3.990 2.330 2.109 2.532 . 0 0 "[ . 1 . 2]" 1
631 1 41 VAL HA 1 53 ILE H . . 4.440 3.475 3.302 3.678 . 0 0 "[ . 1 . 2]" 1
632 1 41 VAL HA 1 53 ILE HG12 . . 5.500 5.581 5.538 5.618 0.118 16 0 "[ . 1 . 2]" 1
633 1 41 VAL HA 1 53 ILE HG13 . . 5.450 4.071 3.929 4.167 . 0 0 "[ . 1 . 2]" 1
634 1 41 VAL HB 1 42 ALA H . . 4.150 4.166 4.084 4.195 0.045 8 0 "[ . 1 . 2]" 1
635 1 41 VAL HB 1 52 CYS HA . . 5.500 5.296 5.089 5.470 . 0 0 "[ . 1 . 2]" 1
636 1 41 VAL QG 1 42 ALA H . . 3.780 2.700 2.555 2.784 . 0 0 "[ . 1 . 2]" 1
637 1 41 VAL QG 1 50 GLN HA . . 4.460 4.175 3.968 4.434 . 0 0 "[ . 1 . 2]" 1
638 1 41 VAL QG 1 50 GLN HE21 . . 4.150 2.972 2.010 4.193 0.043 6 0 "[ . 1 . 2]" 1
639 1 41 VAL QG 1 50 GLN HE22 . . 4.450 3.473 2.961 4.150 . 0 0 "[ . 1 . 2]" 1
640 1 41 VAL QG 1 50 GLN HG2 . . 3.990 2.406 2.249 2.763 . 0 0 "[ . 1 . 2]" 1
641 1 41 VAL QG 1 50 GLN HG3 . . 3.770 2.781 2.380 3.128 . 0 0 "[ . 1 . 2]" 1
642 1 41 VAL QG 1 52 CYS HA . . 4.190 3.312 3.143 3.439 . 0 0 "[ . 1 . 2]" 1
643 1 41 VAL QG 1 52 CYS HB2 . . 5.360 4.919 4.569 5.193 . 0 0 "[ . 1 . 2]" 1
644 1 41 VAL QG 1 52 CYS HB3 . . 5.410 3.946 3.578 4.199 . 0 0 "[ . 1 . 2]" 1
645 1 41 VAL QG 1 53 ILE H . . 4.680 4.308 4.199 4.388 . 0 0 "[ . 1 . 2]" 1
646 1 42 ALA H 1 42 ALA MB . . 3.350 2.577 2.491 2.650 . 0 0 "[ . 1 . 2]" 1
647 1 42 ALA H 1 50 GLN HA . . 5.110 4.390 4.203 4.663 . 0 0 "[ . 1 . 2]" 1
648 1 42 ALA H 1 50 GLN HG2 . . 5.500 3.988 3.685 4.398 . 0 0 "[ . 1 . 2]" 1
649 1 42 ALA H 1 50 GLN HG3 . . 5.500 4.311 3.935 4.687 . 0 0 "[ . 1 . 2]" 1
650 1 42 ALA H 1 51 VAL H . . 3.970 3.041 2.800 3.284 . 0 0 "[ . 1 . 2]" 1
651 1 42 ALA H 1 51 VAL MG2 . . 4.650 3.375 3.076 3.510 . 0 0 "[ . 1 . 2]" 1
652 1 42 ALA H 1 52 CYS HA . . 4.810 3.227 2.874 3.604 . 0 0 "[ . 1 . 2]" 1
653 1 42 ALA H 1 53 ILE H . . 5.360 4.334 4.128 4.636 . 0 0 "[ . 1 . 2]" 1
654 1 42 ALA H 1 53 ILE MD . . 4.800 4.206 4.044 4.375 . 0 0 "[ . 1 . 2]" 1
655 1 42 ALA H 1 53 ILE HG12 . . 5.500 4.829 4.631 4.976 . 0 0 "[ . 1 . 2]" 1
656 1 42 ALA H 1 53 ILE HG13 . . 5.490 3.444 3.282 3.564 . 0 0 "[ . 1 . 2]" 1
657 1 42 ALA HA 1 43 ARG H . . 3.430 2.206 2.098 2.332 . 0 0 "[ . 1 . 2]" 1
658 1 42 ALA HA 1 53 ILE MD . . 5.500 4.261 4.178 4.359 . 0 0 "[ . 1 . 2]" 1
659 1 42 ALA MB 1 43 ARG H . . 3.420 2.886 2.634 3.244 . 0 0 "[ . 1 . 2]" 1
660 1 42 ALA MB 1 51 VAL H . . 5.040 3.818 3.607 4.130 . 0 0 "[ . 1 . 2]" 1
661 1 42 ALA MB 1 51 VAL MG2 . . 4.230 2.804 2.244 3.206 . 0 0 "[ . 1 . 2]" 1
662 1 42 ALA MB 1 52 CYS HA . . 5.500 4.434 3.957 4.745 . 0 0 "[ . 1 . 2]" 1
663 1 42 ALA MB 1 53 ILE MD . . 2.950 1.918 1.856 1.988 . 0 0 "[ . 1 . 2]" 1
664 1 42 ALA MB 1 53 ILE HG13 . . 2.800 2.371 2.186 2.657 . 0 0 "[ . 1 . 2]" 1
665 1 42 ALA MB 1 59 TRP HH2 . . 5.000 4.028 3.540 4.457 . 0 0 "[ . 1 . 2]" 1
666 1 42 ALA MB 1 59 TRP HZ2 . . 5.080 4.822 4.459 5.094 0.014 14 0 "[ . 1 . 2]" 1
667 1 43 ARG H 1 43 ARG HB2 . . 3.780 2.301 2.189 2.483 . 0 0 "[ . 1 . 2]" 1
668 1 43 ARG H 1 43 ARG HB3 . . 3.880 3.246 2.581 3.520 . 0 0 "[ . 1 . 2]" 1
669 1 43 ARG H 1 43 ARG QD . . 4.670 4.711 4.220 4.825 0.155 11 0 "[ . 1 . 2]" 1
670 1 43 ARG H 1 43 ARG HG3 . . 3.710 3.720 3.458 4.019 0.309 10 0 "[ . 1 . 2]" 1
671 1 43 ARG H 1 44 LEU H . . 5.270 4.373 4.304 4.406 . 0 0 "[ . 1 . 2]" 1
672 1 43 ARG HA 1 43 ARG QD . . 3.830 3.814 3.708 3.875 0.045 6 0 "[ . 1 . 2]" 1
673 1 43 ARG HA 1 44 LEU H . . 3.390 2.110 2.038 2.177 . 0 0 "[ . 1 . 2]" 1
674 1 43 ARG HA 1 50 GLN HA . . 3.460 2.208 1.845 2.488 . 0 0 "[ . 1 . 2]" 1
675 1 43 ARG HA 1 50 GLN HG2 . . 4.820 4.661 3.773 4.873 0.053 4 0 "[ . 1 . 2]" 1
676 1 43 ARG HA 1 50 GLN HG3 . . 4.690 3.759 2.968 4.231 . 0 0 "[ . 1 . 2]" 1
677 1 43 ARG HA 1 51 VAL H . . 4.580 3.115 2.818 3.354 . 0 0 "[ . 1 . 2]" 1
678 1 43 ARG HB2 1 44 LEU H . . 4.120 4.103 4.012 4.158 0.038 8 0 "[ . 1 . 2]" 1
679 1 43 ARG HB2 1 50 GLN HA . . 5.250 3.987 3.161 4.247 . 0 0 "[ . 1 . 2]" 1
680 1 43 ARG HB3 1 43 ARG QD . . 2.990 2.503 2.435 2.576 . 0 0 "[ . 1 . 2]" 1
681 1 43 ARG HB3 1 44 LEU H . . 4.150 3.116 2.882 3.671 . 0 0 "[ . 1 . 2]" 1
682 1 43 ARG HB3 1 48 ASN HA . . 5.260 3.901 3.297 5.065 . 0 0 "[ . 1 . 2]" 1
683 1 43 ARG HB3 1 50 GLN HA . . 5.500 4.312 4.167 4.406 . 0 0 "[ . 1 . 2]" 1
684 1 43 ARG QD 1 44 LEU H . . 4.680 4.377 4.035 4.583 . 0 0 "[ . 1 . 2]" 1
685 1 43 ARG QD 1 48 ASN HA . . 3.990 4.048 4.002 4.101 0.111 18 0 "[ . 1 . 2]" 1
686 1 43 ARG QD 1 48 ASN HD21 . . 5.500 4.703 3.007 5.571 0.071 10 0 "[ . 1 . 2]" 1
687 1 43 ARG QD 1 48 ASN HD22 . . 5.140 4.139 2.378 5.223 0.083 7 0 "[ . 1 . 2]" 1
688 1 43 ARG QD 1 49 ARG H . . 5.500 5.415 5.084 5.624 0.124 2 0 "[ . 1 . 2]" 1
689 1 43 ARG QD 1 49 ARG HA . . 5.500 4.554 4.126 5.127 . 0 0 "[ . 1 . 2]" 1
690 1 43 ARG QD 1 50 GLN H . . 5.160 4.129 3.765 4.556 . 0 0 "[ . 1 . 2]" 1
691 1 43 ARG QD 1 50 GLN HA . . 4.000 3.605 3.424 3.857 . 0 0 "[ . 1 . 2]" 1
692 1 43 ARG QD 1 50 GLN HB2 . . 4.600 2.325 2.091 2.606 . 0 0 "[ . 1 . 2]" 1
693 1 43 ARG QD 1 50 GLN HB3 . . 4.220 3.988 3.768 4.237 0.017 17 0 "[ . 1 . 2]" 1
694 1 43 ARG QD 1 50 GLN HG2 . . 4.400 4.543 4.503 4.617 0.217 16 0 "[ . 1 . 2]" 1
695 1 43 ARG QD 1 50 GLN HG3 . . 4.260 3.181 2.970 3.378 . 0 0 "[ . 1 . 2]" 1
696 1 43 ARG HG2 1 44 LEU H . . 4.150 2.826 2.266 3.088 . 0 0 "[ . 1 . 2]" 1
697 1 43 ARG HG2 1 50 GLN HA . . 4.450 2.737 2.367 3.588 . 0 0 "[ . 1 . 2]" 1
698 1 43 ARG HG3 1 44 LEU H . . 3.960 3.749 2.817 4.061 0.101 11 0 "[ . 1 . 2]" 1
699 1 43 ARG HG3 1 49 ARG HA . . 4.870 4.840 4.109 4.993 0.123 19 0 "[ . 1 . 2]" 1
700 1 43 ARG HG3 1 50 GLN HA . . 4.330 1.982 1.851 2.085 . 0 0 "[ . 1 . 2]" 1
701 1 43 ARG HG3 1 50 GLN HB2 . . 4.230 2.433 2.215 2.766 . 0 0 "[ . 1 . 2]" 1
702 1 43 ARG HG3 1 50 GLN HG2 . . 4.310 3.591 3.222 4.192 . 0 0 "[ . 1 . 2]" 1
703 1 43 ARG HG3 1 50 GLN HG3 . . 4.270 2.190 1.954 2.993 . 0 0 "[ . 1 . 2]" 1
704 1 44 LEU H 1 44 LEU HB3 . . 3.990 3.613 3.558 3.652 . 0 0 "[ . 1 . 2]" 1
705 1 44 LEU H 1 44 LEU MD1 . . 4.440 3.663 3.555 3.767 . 0 0 "[ . 1 . 2]" 1
706 1 44 LEU H 1 44 LEU MD2 . . 3.890 3.193 2.918 3.393 . 0 0 "[ . 1 . 2]" 1
707 1 44 LEU H 1 44 LEU HG . . 3.600 2.255 2.049 2.392 . 0 0 "[ . 1 . 2]" 1
708 1 44 LEU H 1 45 LYS H . . 5.040 4.541 4.468 4.617 . 0 0 "[ . 1 . 2]" 1
709 1 44 LEU H 1 49 ARG H . . 4.350 3.397 2.980 3.838 . 0 0 "[ . 1 . 2]" 1
710 1 44 LEU H 1 49 ARG HB2 . . 5.270 4.234 4.060 4.606 . 0 0 "[ . 1 . 2]" 1
711 1 44 LEU H 1 49 ARG HB3 . . 5.190 4.931 3.296 5.252 0.062 20 0 "[ . 1 . 2]" 1
712 1 44 LEU H 1 50 GLN HA . . 4.400 3.648 3.226 4.006 . 0 0 "[ . 1 . 2]" 1
713 1 44 LEU HA 1 44 LEU MD1 . . 4.450 3.877 3.835 3.910 . 0 0 "[ . 1 . 2]" 1
714 1 44 LEU HA 1 44 LEU MD2 . . 3.070 2.134 2.069 2.173 . 0 0 "[ . 1 . 2]" 1
715 1 44 LEU HA 1 44 LEU HG . . 4.220 3.254 3.147 3.325 . 0 0 "[ . 1 . 2]" 1
716 1 44 LEU HA 1 45 LYS H . . 3.180 2.253 2.133 2.437 . 0 0 "[ . 1 . 2]" 1
717 1 44 LEU HA 1 46 ASN H . . 4.830 4.558 4.250 4.899 0.069 3 0 "[ . 1 . 2]" 1
718 1 44 LEU HB2 1 44 LEU MD1 . . 3.060 2.392 2.321 2.428 . 0 0 "[ . 1 . 2]" 1
719 1 44 LEU HB2 1 45 LYS H . . 3.590 3.572 3.346 3.673 0.083 18 0 "[ . 1 . 2]" 1
720 1 44 LEU HB2 1 46 ASN H . . 4.100 4.172 4.103 4.230 0.130 4 0 "[ . 1 . 2]" 1
721 1 44 LEU HB2 1 47 ASN H . . 4.810 2.887 2.700 3.112 . 0 0 "[ . 1 . 2]" 1
722 1 44 LEU HB2 1 47 ASN HB2 . . 5.500 3.785 3.195 4.133 . 0 0 "[ . 1 . 2]" 1
723 1 44 LEU HB2 1 49 ARG H . . 5.040 2.573 2.230 2.694 . 0 0 "[ . 1 . 2]" 1
724 1 44 LEU HB2 1 49 ARG HB2 . . 4.020 3.715 3.291 4.011 . 0 0 "[ . 1 . 2]" 1
725 1 44 LEU HB3 1 44 LEU MD1 . . 3.420 2.397 2.352 2.436 . 0 0 "[ . 1 . 2]" 1
726 1 44 LEU HB3 1 45 LYS H . . 4.620 2.639 2.346 2.779 . 0 0 "[ . 1 . 2]" 1
727 1 44 LEU HB3 1 46 ASN H . . 4.660 3.489 3.138 3.805 . 0 0 "[ . 1 . 2]" 1
728 1 44 LEU HB3 1 47 ASN H . . 4.850 2.963 2.619 3.361 . 0 0 "[ . 1 . 2]" 1
729 1 44 LEU HB3 1 49 ARG H . . 4.250 4.239 3.961 4.324 0.074 12 0 "[ . 1 . 2]" 1
730 1 44 LEU HB3 1 49 ARG HB2 . . 5.320 4.978 4.498 5.329 0.009 11 0 "[ . 1 . 2]" 1
731 1 44 LEU MD1 1 45 LYS H . . 4.850 4.623 4.340 4.778 . 0 0 "[ . 1 . 2]" 1
732 1 44 LEU MD1 1 46 ASN H . . 5.500 4.957 4.698 5.160 . 0 0 "[ . 1 . 2]" 1
733 1 44 LEU MD1 1 47 ASN H . . 5.500 3.716 3.476 3.952 . 0 0 "[ . 1 . 2]" 1
734 1 44 LEU MD1 1 47 ASN HD21 . . 4.730 2.173 1.751 3.028 . 0 0 "[ . 1 . 2]" 1
735 1 44 LEU MD1 1 47 ASN HD22 . . 4.120 3.398 2.951 4.096 . 0 0 "[ . 1 . 2]" 1
736 1 44 LEU MD1 1 49 ARG H . . 4.850 2.955 2.724 3.268 . 0 0 "[ . 1 . 2]" 1
737 1 44 LEU MD1 1 49 ARG HB2 . . 4.090 2.286 1.884 2.678 . 0 0 "[ . 1 . 2]" 1
738 1 44 LEU MD1 1 49 ARG HB3 . . 3.980 3.519 1.853 4.010 0.030 12 0 "[ . 1 . 2]" 1
739 1 44 LEU MD1 1 49 ARG HD2 . . 4.670 4.419 3.040 4.764 0.094 13 0 "[ . 1 . 2]" 1
740 1 44 LEU MD1 1 49 ARG HD3 . . 4.650 3.812 3.110 4.737 0.087 8 0 "[ . 1 . 2]" 1
741 1 44 LEU MD2 1 45 LYS H . . 3.840 3.671 3.547 3.742 . 0 0 "[ . 1 . 2]" 1
742 1 44 LEU MD2 1 46 ASN H . . 5.490 5.071 4.640 5.423 . 0 0 "[ . 1 . 2]" 1
743 1 44 LEU MD2 1 49 ARG H . . 5.390 4.854 4.604 5.069 . 0 0 "[ . 1 . 2]" 1
744 1 44 LEU HG 1 51 VAL MG2 . . 4.220 3.146 2.705 3.642 . 0 0 "[ . 1 . 2]" 1
745 1 45 LYS H 1 45 LYS HB2 . . 3.660 2.482 2.381 2.578 . 0 0 "[ . 1 . 2]" 1
746 1 45 LYS H 1 45 LYS HB3 . . 3.730 3.593 3.530 3.626 . 0 0 "[ . 1 . 2]" 1
747 1 45 LYS H 1 45 LYS QD . . 5.200 3.769 3.503 3.882 . 0 0 "[ . 1 . 2]" 1
748 1 45 LYS H 1 45 LYS HE2 . . 5.470 5.051 4.808 5.161 . 0 0 "[ . 1 . 2]" 1
749 1 45 LYS H 1 45 LYS QE . . 4.760 4.671 4.516 4.733 . 0 0 "[ . 1 . 2]" 1
750 1 45 LYS H 1 45 LYS HE3 . . 5.470 5.504 5.481 5.528 0.058 12 0 "[ . 1 . 2]" 1
751 1 45 LYS H 1 45 LYS HG2 . . 3.900 3.505 3.401 3.580 . 0 0 "[ . 1 . 2]" 1
752 1 45 LYS H 1 45 LYS HG3 . . 3.900 2.285 2.183 2.377 . 0 0 "[ . 1 . 2]" 1
753 1 45 LYS H 1 46 ASN H . . 3.910 2.627 2.417 2.865 . 0 0 "[ . 1 . 2]" 1
754 1 45 LYS HA 1 45 LYS QD . . 4.840 4.244 4.215 4.275 . 0 0 "[ . 1 . 2]" 1
755 1 45 LYS HA 1 45 LYS QE . . 4.070 3.907 3.813 4.081 0.011 16 0 "[ . 1 . 2]" 1
756 1 45 LYS HA 1 45 LYS QG . . 3.370 2.467 2.419 2.517 . 0 0 "[ . 1 . 2]" 1
757 1 45 LYS HA 1 48 ASN H . . 5.500 4.148 3.986 4.291 . 0 0 "[ . 1 . 2]" 1
758 1 45 LYS HB2 1 45 LYS HE2 . . 4.440 2.878 2.660 3.013 . 0 0 "[ . 1 . 2]" 1
759 1 45 LYS HB2 1 45 LYS HE3 . . 4.440 3.924 3.824 4.010 . 0 0 "[ . 1 . 2]" 1
760 1 45 LYS HB2 1 46 ASN H . . 4.060 2.218 1.956 2.447 . 0 0 "[ . 1 . 2]" 1
761 1 45 LYS HB3 1 45 LYS HE2 . . 3.470 2.053 1.967 2.132 . 0 0 "[ . 1 . 2]" 1
762 1 45 LYS HB3 1 45 LYS QE . . 2.990 2.010 1.939 2.082 . 0 0 "[ . 1 . 2]" 1
763 1 45 LYS HB3 1 45 LYS HE3 . . 3.470 2.879 2.739 2.979 . 0 0 "[ . 1 . 2]" 1
764 1 45 LYS HB3 1 46 ASN H . . 3.990 3.316 3.036 3.553 . 0 0 "[ . 1 . 2]" 1
765 1 45 LYS QE 1 45 LYS QG . . 2.960 2.302 2.239 2.369 . 0 0 "[ . 1 . 2]" 1
766 1 45 LYS QG 1 46 ASN H . . 4.720 3.883 3.745 4.000 . 0 0 "[ . 1 . 2]" 1
767 1 45 LYS HG2 1 46 ASN H . . 5.410 4.792 4.645 4.902 . 0 0 "[ . 1 . 2]" 1
768 1 45 LYS HG3 1 46 ASN H . . 5.410 4.105 3.950 4.241 . 0 0 "[ . 1 . 2]" 1
769 1 46 ASN H 1 46 ASN HB2 . . 4.170 2.671 2.430 2.800 . 0 0 "[ . 1 . 2]" 1
770 1 46 ASN H 1 46 ASN QB . . 3.570 2.313 2.255 2.544 . 0 0 "[ . 1 . 2]" 1
771 1 46 ASN H 1 46 ASN HB3 . . 4.170 2.608 2.394 3.686 . 0 0 "[ . 1 . 2]" 1
772 1 46 ASN H 1 47 ASN H . . 3.850 2.385 2.277 2.498 . 0 0 "[ . 1 . 2]" 1
773 1 46 ASN H 1 48 ASN H . . 5.110 3.709 3.575 3.882 . 0 0 "[ . 1 . 2]" 1
774 1 47 ASN H 1 47 ASN HB2 . . 4.200 2.636 2.478 2.804 . 0 0 "[ . 1 . 2]" 1
775 1 47 ASN H 1 48 ASN H . . 3.280 2.291 2.196 2.388 . 0 0 "[ . 1 . 2]" 1
776 1 47 ASN HB2 1 49 ARG QG . . 4.610 4.552 4.107 4.801 0.191 14 0 "[ . 1 . 2]" 1
777 1 47 ASN HB3 1 48 ASN H . . 4.630 3.012 2.682 3.392 . 0 0 "[ . 1 . 2]" 1
778 1 47 ASN HD21 1 49 ARG H . . 5.140 4.162 3.829 4.616 . 0 0 "[ . 1 . 2]" 1
779 1 47 ASN HD21 1 49 ARG HB3 . . 4.770 4.611 3.780 4.874 0.104 7 0 "[ . 1 . 2]" 1
780 1 47 ASN HD21 1 49 ARG HD2 . . 5.100 4.040 2.691 5.161 0.061 19 0 "[ . 1 . 2]" 1
781 1 47 ASN HD21 1 49 ARG HD3 . . 5.120 3.506 2.570 5.144 0.024 16 0 "[ . 1 . 2]" 1
782 1 47 ASN HD21 1 49 ARG QG . . 5.240 3.447 2.451 4.123 . 0 0 "[ . 1 . 2]" 1
783 1 47 ASN HD22 1 49 ARG H . . 5.500 4.627 4.328 5.005 . 0 0 "[ . 1 . 2]" 1
784 1 47 ASN HD22 1 49 ARG HB3 . . 4.720 4.534 4.037 4.767 0.047 18 0 "[ . 1 . 2]" 1
785 1 47 ASN HD22 1 49 ARG HD2 . . 5.070 2.921 1.713 4.515 . 0 0 "[ . 1 . 2]" 1
786 1 47 ASN HD22 1 49 ARG HD3 . . 5.190 2.654 1.878 4.659 . 0 0 "[ . 1 . 2]" 1
787 1 47 ASN HD22 1 49 ARG QG . . 5.410 2.903 1.974 3.517 . 0 0 "[ . 1 . 2]" 1
788 1 48 ASN H 1 48 ASN HB2 . . 4.150 3.181 2.968 3.536 . 0 0 "[ . 1 . 2]" 1
789 1 48 ASN H 1 48 ASN QB . . 3.620 3.000 2.838 3.351 . 0 0 "[ . 1 . 2]" 1
790 1 48 ASN H 1 48 ASN HB3 . . 4.150 3.677 3.580 4.153 0.003 7 0 "[ . 1 . 2]" 1
791 1 49 ARG H 1 49 ARG HB2 . . 3.390 2.317 2.103 2.626 . 0 0 "[ . 1 . 2]" 1
792 1 49 ARG H 1 49 ARG HB3 . . 3.500 3.480 2.258 3.592 0.092 11 0 "[ . 1 . 2]" 1
793 1 49 ARG H 1 49 ARG HD2 . . 5.120 4.355 2.216 5.127 0.007 10 0 "[ . 1 . 2]" 1
794 1 49 ARG H 1 49 ARG HD3 . . 4.430 4.117 2.572 4.676 0.246 2 0 "[ . 1 . 2]" 1
795 1 49 ARG H 1 49 ARG QG . . 3.580 2.739 2.053 3.748 0.168 19 0 "[ . 1 . 2]" 1
796 1 49 ARG H 1 50 GLN H . . 4.810 4.501 4.406 4.610 . 0 0 "[ . 1 . 2]" 1
797 1 49 ARG HA 1 49 ARG HD3 . . 4.730 4.118 2.289 4.597 . 0 0 "[ . 1 . 2]" 1
798 1 49 ARG HA 1 49 ARG QG . . 3.350 2.478 2.275 3.094 . 0 0 "[ . 1 . 2]" 1
799 1 49 ARG HA 1 50 GLN H . . 3.270 2.112 1.992 2.234 . 0 0 "[ . 1 . 2]" 1
800 1 49 ARG HB2 1 49 ARG QG . . 2.670 2.243 2.139 2.304 . 0 0 "[ . 1 . 2]" 1
801 1 49 ARG HB3 1 49 ARG HD2 . . 3.610 3.423 2.394 3.646 0.036 15 0 "[ . 1 . 2]" 1
802 1 49 ARG HB3 1 49 ARG QG . . 2.720 2.337 2.087 2.440 . 0 0 "[ . 1 . 2]" 1
803 1 49 ARG HD3 1 50 GLN H . . 5.420 5.213 4.340 5.544 0.124 17 0 "[ . 1 . 2]" 1
804 1 50 GLN H 1 50 GLN HB2 . . 3.780 2.596 2.513 2.732 . 0 0 "[ . 1 . 2]" 1
805 1 50 GLN H 1 50 GLN HB3 . . 3.690 2.489 2.388 2.637 . 0 0 "[ . 1 . 2]" 1
806 1 50 GLN H 1 50 GLN HG2 . . 4.720 4.369 4.306 4.420 . 0 0 "[ . 1 . 2]" 1
807 1 50 GLN H 1 50 GLN HG3 . . 4.350 4.406 4.376 4.438 0.088 10 0 "[ . 1 . 2]" 1
808 1 50 GLN H 1 51 VAL H . . 5.270 4.291 4.229 4.331 . 0 0 "[ . 1 . 2]" 1
809 1 50 GLN HA 1 50 GLN HE21 . . 5.500 4.812 4.383 5.074 . 0 0 "[ . 1 . 2]" 1
810 1 50 GLN HA 1 50 GLN HG2 . . 4.190 2.881 2.616 2.966 . 0 0 "[ . 1 . 2]" 1
811 1 50 GLN HA 1 50 GLN HG3 . . 3.970 2.496 2.408 2.585 . 0 0 "[ . 1 . 2]" 1
812 1 50 GLN HA 1 51 VAL H . . 3.320 2.138 2.084 2.164 . 0 0 "[ . 1 . 2]" 1
813 1 50 GLN HB3 1 50 GLN HE21 . . 4.650 3.198 1.823 4.416 . 0 0 "[ . 1 . 2]" 1
814 1 50 GLN HB3 1 50 GLN HE22 . . 5.200 4.007 3.455 4.662 . 0 0 "[ . 1 . 2]" 1
815 1 50 GLN HB3 1 51 VAL H . . 4.860 4.179 4.106 4.263 . 0 0 "[ . 1 . 2]" 1
816 1 50 GLN HG3 1 51 VAL H . . 4.550 3.658 3.447 3.814 . 0 0 "[ . 1 . 2]" 1
817 1 51 VAL H 1 51 VAL MG1 . . 3.690 2.938 2.656 3.050 . 0 0 "[ . 1 . 2]" 1
818 1 51 VAL H 1 51 VAL MG2 . . 3.760 2.228 2.174 2.287 . 0 0 "[ . 1 . 2]" 1
819 1 51 VAL HA 1 51 VAL MG1 . . 3.250 2.393 2.365 2.436 . 0 0 "[ . 1 . 2]" 1
820 1 51 VAL HB 1 52 CYS H . . 3.780 2.326 2.058 2.634 . 0 0 "[ . 1 . 2]" 1
821 1 51 VAL MG1 1 52 CYS H . . 4.470 3.657 3.537 3.755 . 0 0 "[ . 1 . 2]" 1
822 1 51 VAL MG2 1 52 CYS H . . 4.820 3.298 2.917 3.581 . 0 0 "[ . 1 . 2]" 1
823 1 52 CYS H 1 52 CYS HB2 . . 4.040 2.659 2.596 2.764 . 0 0 "[ . 1 . 2]" 1
824 1 52 CYS HA 1 53 ILE H . . 3.540 2.228 2.110 2.323 . 0 0 "[ . 1 . 2]" 1
825 1 52 CYS HB2 1 53 ILE H . . 5.310 3.773 3.594 4.046 . 0 0 "[ . 1 . 2]" 1
826 1 52 CYS HB3 1 53 ILE H . . 4.700 2.841 2.594 3.201 . 0 0 "[ . 1 . 2]" 1
827 1 53 ILE H 1 53 ILE HB . . 3.740 2.670 2.617 2.722 . 0 0 "[ . 1 . 2]" 1
828 1 53 ILE H 1 53 ILE MD . . 4.740 4.160 4.090 4.237 . 0 0 "[ . 1 . 2]" 1
829 1 53 ILE H 1 53 ILE HG12 . . 4.160 3.635 3.432 3.770 . 0 0 "[ . 1 . 2]" 1
830 1 53 ILE H 1 53 ILE HG13 . . 4.110 2.783 2.622 2.899 . 0 0 "[ . 1 . 2]" 1
831 1 53 ILE H 1 53 ILE MG . . 3.980 3.857 3.825 3.903 . 0 0 "[ . 1 . 2]" 1
832 1 53 ILE H 1 54 ASP H . . 5.500 4.377 4.325 4.429 . 0 0 "[ . 1 . 2]" 1
833 1 53 ILE HA 1 53 ILE MD . . 4.150 3.725 3.683 3.775 . 0 0 "[ . 1 . 2]" 1
834 1 53 ILE HA 1 53 ILE HG13 . . 4.140 3.153 3.086 3.227 . 0 0 "[ . 1 . 2]" 1
835 1 53 ILE HA 1 53 ILE MG . . 3.370 2.393 2.347 2.442 . 0 0 "[ . 1 . 2]" 1
836 1 53 ILE HA 1 54 ASP H . . 3.380 2.108 2.046 2.160 . 0 0 "[ . 1 . 2]" 1
837 1 53 ILE HB 1 54 ASP H . . 4.700 3.910 3.866 3.934 . 0 0 "[ . 1 . 2]" 1
838 1 53 ILE HB 1 60 ILE MD . . 4.650 3.521 3.355 3.719 . 0 0 "[ . 1 . 2]" 1
839 1 53 ILE HB 1 60 ILE HG13 . . 5.500 4.094 3.943 4.203 . 0 0 "[ . 1 . 2]" 1
840 1 53 ILE MD 1 54 ASP H . . 4.720 4.621 4.550 4.714 . 0 0 "[ . 1 . 2]" 1
841 1 53 ILE MD 1 59 TRP HH2 . . 4.010 2.588 2.243 2.939 . 0 0 "[ . 1 . 2]" 1
842 1 53 ILE MD 1 59 TRP HZ2 . . 4.090 2.307 1.993 2.637 . 0 0 "[ . 1 . 2]" 1
843 1 53 ILE MD 1 60 ILE MD . . 3.480 2.557 2.408 2.692 . 0 0 "[ . 1 . 2]" 1
844 1 53 ILE HG12 1 53 ILE MG . . 3.410 2.495 2.415 2.552 . 0 0 "[ . 1 . 2]" 1
845 1 53 ILE HG12 1 54 ASP H . . 5.500 4.072 3.947 4.253 . 0 0 "[ . 1 . 2]" 1
846 1 53 ILE HG12 1 60 ILE MD . . 4.890 4.720 4.576 4.827 . 0 0 "[ . 1 . 2]" 1
847 1 53 ILE HG12 1 60 ILE HG13 . . 5.470 5.539 5.490 5.569 0.099 3 0 "[ . 1 . 2]" 1
848 1 53 ILE HG13 1 54 ASP H . . 5.500 4.947 4.861 5.024 . 0 0 "[ . 1 . 2]" 1
849 1 53 ILE HG13 1 60 ILE MD . . 4.930 4.698 4.544 4.897 . 0 0 "[ . 1 . 2]" 1
850 1 53 ILE MG 1 54 ASP H . . 3.770 2.268 2.231 2.309 . 0 0 "[ . 1 . 2]" 1
851 1 53 ILE MG 1 57 LEU H . . 4.890 4.218 4.120 4.297 . 0 0 "[ . 1 . 2]" 1
852 1 53 ILE MG 1 57 LEU HB2 . . 3.290 3.310 3.205 3.363 0.073 3 0 "[ . 1 . 2]" 1
853 1 53 ILE MG 1 59 TRP HH2 . . 5.090 3.742 3.396 4.055 . 0 0 "[ . 1 . 2]" 1
854 1 53 ILE MG 1 59 TRP HZ2 . . 3.780 3.092 2.822 3.349 . 0 0 "[ . 1 . 2]" 1
855 1 53 ILE MG 1 60 ILE MD . . 3.430 2.048 1.951 2.126 . 0 0 "[ . 1 . 2]" 1
856 1 53 ILE MG 1 60 ILE HG13 . . 3.970 2.086 2.037 2.139 . 0 0 "[ . 1 . 2]" 1
857 1 54 ASP H 1 54 ASP HB2 . . 3.760 2.476 2.325 2.617 . 0 0 "[ . 1 . 2]" 1
858 1 54 ASP H 1 54 ASP HB3 . . 3.750 2.329 2.200 2.532 . 0 0 "[ . 1 . 2]" 1
859 1 54 ASP H 1 55 PRO HD2 . . 5.440 4.821 4.665 4.938 . 0 0 "[ . 1 . 2]" 1
860 1 54 ASP H 1 55 PRO HD3 . . 5.500 4.780 4.618 4.922 . 0 0 "[ . 1 . 2]" 1
861 1 54 ASP H 1 57 LEU MD1 . . 4.330 2.910 2.783 3.020 . 0 0 "[ . 1 . 2]" 1
862 1 54 ASP H 1 57 LEU HG . . 4.750 3.541 3.353 3.732 . 0 0 "[ . 1 . 2]" 1
863 1 54 ASP HA 1 55 PRO HD2 . . 3.460 2.128 1.924 2.271 . 0 0 "[ . 1 . 2]" 1
864 1 54 ASP HA 1 56 LYS H . . 4.890 3.915 3.787 4.192 . 0 0 "[ . 1 . 2]" 1
865 1 54 ASP HA 1 57 LEU H . . 5.500 5.051 4.855 5.271 . 0 0 "[ . 1 . 2]" 1
866 1 54 ASP HB2 1 55 PRO HD2 . . 5.270 3.815 3.606 3.981 . 0 0 "[ . 1 . 2]" 1
867 1 54 ASP HB2 1 56 LYS H . . 5.500 4.529 4.350 4.764 . 0 0 "[ . 1 . 2]" 1
868 1 54 ASP HB2 1 57 LEU H . . 5.500 5.191 4.950 5.516 0.016 20 0 "[ . 1 . 2]" 1
869 1 54 ASP HB2 1 57 LEU MD1 . . 4.270 4.275 4.102 4.332 0.062 13 0 "[ . 1 . 2]" 1
870 1 54 ASP HB2 1 57 LEU HG . . 4.190 4.028 3.751 4.223 0.033 11 0 "[ . 1 . 2]" 1
871 1 54 ASP HB3 1 55 PRO HD2 . . 5.500 4.236 4.020 4.457 . 0 0 "[ . 1 . 2]" 1
872 1 54 ASP HB3 1 56 LYS H . . 5.210 3.693 3.151 4.043 . 0 0 "[ . 1 . 2]" 1
873 1 54 ASP HB3 1 57 LEU H . . 4.810 3.696 3.436 4.016 . 0 0 "[ . 1 . 2]" 1
874 1 54 ASP HB3 1 57 LEU HA . . 5.500 4.891 4.527 5.149 . 0 0 "[ . 1 . 2]" 1
875 1 54 ASP HB3 1 57 LEU HB2 . . 5.500 4.329 4.086 4.657 . 0 0 "[ . 1 . 2]" 1
876 1 54 ASP HB3 1 57 LEU HB3 . . 5.500 5.295 5.011 5.564 0.064 18 0 "[ . 1 . 2]" 1
877 1 54 ASP HB3 1 57 LEU MD1 . . 3.970 3.162 2.874 3.593 . 0 0 "[ . 1 . 2]" 1
878 1 54 ASP HB3 1 57 LEU MD2 . . 4.430 3.508 3.026 3.921 . 0 0 "[ . 1 . 2]" 1
879 1 54 ASP HB3 1 57 LEU HG . . 3.980 2.321 1.993 2.658 . 0 0 "[ . 1 . 2]" 1
880 1 55 PRO HA 1 57 LEU H . . 4.950 3.770 3.617 3.946 . 0 0 "[ . 1 . 2]" 1
881 1 55 PRO HA 1 60 ILE HB . . 5.340 3.909 3.596 4.238 . 0 0 "[ . 1 . 2]" 1
882 1 55 PRO HA 1 60 ILE MD . . 4.540 4.332 4.064 4.541 0.001 8 0 "[ . 1 . 2]" 1
883 1 55 PRO HA 1 60 ILE HG12 . . 5.500 5.360 5.072 5.554 0.054 14 0 "[ . 1 . 2]" 1
884 1 55 PRO HA 1 60 ILE HG13 . . 5.500 3.884 3.566 4.114 . 0 0 "[ . 1 . 2]" 1
885 1 55 PRO HA 1 60 ILE MG . . 3.580 2.077 1.909 2.298 . 0 0 "[ . 1 . 2]" 1
886 1 55 PRO HD2 1 56 LYS H . . 4.260 3.126 2.880 3.339 . 0 0 "[ . 1 . 2]" 1
887 1 55 PRO HD3 1 56 LYS H . . 4.970 4.184 4.046 4.275 . 0 0 "[ . 1 . 2]" 1
888 1 55 PRO QG 1 56 LYS H . . 3.440 3.128 2.731 3.459 0.019 1 0 "[ . 1 . 2]" 1
889 1 56 LYS H 1 56 LYS QB . . 3.500 2.817 2.468 3.148 . 0 0 "[ . 1 . 2]" 1
890 1 56 LYS H 1 56 LYS QD . . 5.410 3.735 1.933 4.483 . 0 0 "[ . 1 . 2]" 1
891 1 56 LYS H 1 56 LYS QE . . 5.500 4.376 3.402 4.866 . 0 0 "[ . 1 . 2]" 1
892 1 56 LYS H 1 56 LYS QG . . 3.560 2.241 2.079 2.928 . 0 0 "[ . 1 . 2]" 1
893 1 56 LYS H 1 57 LEU H . . 3.520 2.373 1.951 2.683 . 0 0 "[ . 1 . 2]" 1
894 1 56 LYS H 1 60 ILE MG . . 4.790 4.411 4.061 4.787 . 0 0 "[ . 1 . 2]" 1
895 1 56 LYS HA 1 56 LYS QD . . 4.010 3.899 2.048 4.235 0.225 13 0 "[ . 1 . 2]" 1
896 1 56 LYS HA 1 56 LYS QE . . 5.500 4.279 3.020 5.311 . 0 0 "[ . 1 . 2]" 1
897 1 56 LYS HA 1 56 LYS QG . . 3.460 3.209 2.281 3.510 0.050 11 0 "[ . 1 . 2]" 1
898 1 56 LYS HA 1 61 GLN HE21 . . 4.260 3.311 2.352 4.143 . 0 0 "[ . 1 . 2]" 1
899 1 56 LYS HA 1 61 GLN HE22 . . 4.720 3.656 2.277 4.547 . 0 0 "[ . 1 . 2]" 1
900 1 56 LYS QB 1 56 LYS QD . . 2.400 2.202 1.962 2.539 0.139 12 0 "[ . 1 . 2]" 1
901 1 56 LYS QB 1 56 LYS QE . . 2.870 2.138 1.872 3.238 0.368 14 0 "[ . 1 . 2]" 1
902 1 56 LYS QB 1 57 LEU H . . 5.000 3.833 3.252 4.076 . 0 0 "[ . 1 . 2]" 1
903 1 56 LYS QE 1 56 LYS QG . . 3.470 2.320 1.984 2.808 . 0 0 "[ . 1 . 2]" 1
904 1 56 LYS QG 1 57 LEU H . . 3.680 3.609 2.762 3.959 0.279 1 0 "[ . 1 . 2]" 1
905 1 57 LEU H 1 57 LEU HB2 . . 3.580 2.289 2.238 2.359 . 0 0 "[ . 1 . 2]" 1
906 1 57 LEU H 1 57 LEU HB3 . . 3.520 3.562 3.532 3.613 0.093 1 0 "[ . 1 . 2]" 1
907 1 57 LEU H 1 57 LEU MD1 . . 4.080 3.703 3.636 3.803 . 0 0 "[ . 1 . 2]" 1
908 1 57 LEU H 1 57 LEU MD2 . . 3.780 3.670 3.484 3.833 0.053 17 0 "[ . 1 . 2]" 1
909 1 57 LEU H 1 57 LEU HG . . 3.510 2.666 2.513 2.869 . 0 0 "[ . 1 . 2]" 1
910 1 57 LEU H 1 58 LYS H . . 5.040 4.568 4.469 4.642 . 0 0 "[ . 1 . 2]" 1
911 1 57 LEU H 1 60 ILE H . . 5.500 4.692 4.521 4.831 . 0 0 "[ . 1 . 2]" 1
912 1 57 LEU H 1 60 ILE MD . . 5.190 5.145 5.024 5.208 0.018 3 0 "[ . 1 . 2]" 1
913 1 57 LEU H 1 60 ILE HG12 . . 4.470 4.493 4.442 4.525 0.055 1 0 "[ . 1 . 2]" 1
914 1 57 LEU H 1 60 ILE HG13 . . 5.500 3.835 3.708 3.916 . 0 0 "[ . 1 . 2]" 1
915 1 57 LEU H 1 60 ILE MG . . 4.480 3.639 3.414 3.867 . 0 0 "[ . 1 . 2]" 1
916 1 57 LEU HA 1 57 LEU MD1 . . 4.470 3.827 3.775 3.854 . 0 0 "[ . 1 . 2]" 1
917 1 57 LEU HA 1 57 LEU MD2 . . 3.120 2.042 1.967 2.104 . 0 0 "[ . 1 . 2]" 1
918 1 57 LEU HA 1 57 LEU HG . . 4.140 2.968 2.828 3.110 . 0 0 "[ . 1 . 2]" 1
919 1 57 LEU HA 1 58 LYS H . . 3.160 2.171 2.053 2.300 . 0 0 "[ . 1 . 2]" 1
920 1 57 LEU HA 1 60 ILE HG12 . . 5.500 5.061 4.930 5.162 . 0 0 "[ . 1 . 2]" 1
921 1 57 LEU HB2 1 58 LYS H . . 3.990 4.042 4.014 4.070 0.080 10 0 "[ . 1 . 2]" 1
922 1 57 LEU HB2 1 59 TRP H . . 5.180 4.394 4.111 4.475 . 0 0 "[ . 1 . 2]" 1
923 1 57 LEU HB2 1 60 ILE H . . 4.790 3.083 2.973 3.198 . 0 0 "[ . 1 . 2]" 1
924 1 57 LEU HB2 1 60 ILE HA . . 5.500 4.612 4.488 4.767 . 0 0 "[ . 1 . 2]" 1
925 1 57 LEU HB2 1 60 ILE HB . . 5.330 2.157 2.033 2.324 . 0 0 "[ . 1 . 2]" 1
926 1 57 LEU HB2 1 60 ILE MD . . 4.290 3.795 3.726 3.855 . 0 0 "[ . 1 . 2]" 1
927 1 57 LEU HB2 1 60 ILE HG13 . . 4.690 2.348 2.243 2.433 . 0 0 "[ . 1 . 2]" 1
928 1 57 LEU HB2 1 60 ILE MG . . 4.710 3.409 3.307 3.509 . 0 0 "[ . 1 . 2]" 1
929 1 57 LEU HB2 1 61 GLN H . . 4.700 4.379 4.228 4.575 . 0 0 "[ . 1 . 2]" 1
930 1 57 LEU HB3 1 58 LYS H . . 5.030 2.937 2.825 3.049 . 0 0 "[ . 1 . 2]" 1
931 1 57 LEU HB3 1 59 TRP HD1 . . 4.870 3.336 3.106 3.750 . 0 0 "[ . 1 . 2]" 1
932 1 57 LEU HB3 1 60 ILE H . . 4.740 2.731 2.531 2.894 . 0 0 "[ . 1 . 2]" 1
933 1 57 LEU HB3 1 60 ILE MD . . 4.760 4.375 4.231 4.517 . 0 0 "[ . 1 . 2]" 1
934 1 57 LEU HB3 1 60 ILE HG13 . . 4.240 3.610 3.474 3.712 . 0 0 "[ . 1 . 2]" 1
935 1 57 LEU HB3 1 60 ILE MG . . 4.510 4.599 4.562 4.635 0.125 20 0 "[ . 1 . 2]" 1
936 1 57 LEU MD1 1 58 LYS H . . 5.010 4.613 4.381 4.753 . 0 0 "[ . 1 . 2]" 1
937 1 57 LEU MD1 1 59 TRP HD1 . . 3.670 3.619 3.396 3.715 0.045 1 0 "[ . 1 . 2]" 1
938 1 57 LEU MD1 1 59 TRP HZ2 . . 4.540 3.241 2.981 3.473 . 0 0 "[ . 1 . 2]" 1
939 1 57 LEU MD1 1 60 ILE H . . 5.500 4.132 3.967 4.239 . 0 0 "[ . 1 . 2]" 1
940 1 57 LEU MD1 1 60 ILE MD . . 4.080 3.312 3.169 3.431 . 0 0 "[ . 1 . 2]" 1
941 1 57 LEU MD1 1 60 ILE HG13 . . 4.490 2.455 2.288 2.653 . 0 0 "[ . 1 . 2]" 1
942 1 57 LEU MD2 1 58 LYS H . . 3.920 3.103 2.653 3.344 . 0 0 "[ . 1 . 2]" 1
943 1 57 LEU MD2 1 59 TRP H . . 5.080 4.180 3.704 4.572 . 0 0 "[ . 1 . 2]" 1
944 1 57 LEU MD2 1 59 TRP HD1 . . 4.230 3.549 3.180 4.059 . 0 0 "[ . 1 . 2]" 1
945 1 57 LEU MD2 1 59 TRP HZ2 . . 5.340 5.263 4.947 5.395 0.055 2 0 "[ . 1 . 2]" 1
946 1 57 LEU MD2 1 60 ILE H . . 5.500 4.661 4.409 4.895 . 0 0 "[ . 1 . 2]" 1
947 1 57 LEU MD2 1 60 ILE HG13 . . 4.850 4.739 4.612 4.874 0.024 6 0 "[ . 1 . 2]" 1
948 1 58 LYS H 1 58 LYS QB . . 3.220 2.321 2.147 2.724 . 0 0 "[ . 1 . 2]" 1
949 1 58 LYS H 1 58 LYS QD . . 5.330 4.358 3.164 4.831 . 0 0 "[ . 1 . 2]" 1
950 1 58 LYS H 1 58 LYS HG2 . . 4.880 4.333 3.362 4.538 . 0 0 "[ . 1 . 2]" 1
951 1 58 LYS H 1 58 LYS HG3 . . 4.880 4.137 1.997 4.561 . 0 0 "[ . 1 . 2]" 1
952 1 58 LYS H 1 59 TRP H . . 4.770 2.763 2.662 2.922 . 0 0 "[ . 1 . 2]" 1
953 1 58 LYS HA 1 58 LYS QD . . 4.010 4.006 3.772 4.138 0.128 11 0 "[ . 1 . 2]" 1
954 1 58 LYS HA 1 58 LYS QE . . 5.500 4.671 3.827 5.313 . 0 0 "[ . 1 . 2]" 1
955 1 58 LYS HA 1 58 LYS HG2 . . 4.150 3.112 2.468 4.209 0.059 5 0 "[ . 1 . 2]" 1
956 1 58 LYS HA 1 58 LYS QG . . 3.550 2.496 2.326 3.461 . 0 0 "[ . 1 . 2]" 1
957 1 58 LYS HA 1 58 LYS HG3 . . 4.150 2.661 2.456 3.682 . 0 0 "[ . 1 . 2]" 1
958 1 58 LYS HA 1 60 ILE H . . 5.500 4.067 3.901 4.298 . 0 0 "[ . 1 . 2]" 1
959 1 58 LYS HA 1 61 GLN H . . 4.480 3.271 2.976 3.949 . 0 0 "[ . 1 . 2]" 1
960 1 58 LYS HA 1 61 GLN HG2 . . 4.450 3.067 2.043 4.045 . 0 0 "[ . 1 . 2]" 1
961 1 58 LYS HA 1 62 GLU H . . 4.860 4.302 3.947 4.864 0.004 2 0 "[ . 1 . 2]" 1
962 1 58 LYS QB 1 58 LYS QD . . 2.880 2.176 2.067 2.339 . 0 0 "[ . 1 . 2]" 1
963 1 58 LYS QB 1 58 LYS QE . . 4.240 3.218 1.925 3.646 . 0 0 "[ . 1 . 2]" 1
964 1 58 LYS QB 1 59 TRP H . . 4.030 2.649 2.312 3.538 . 0 0 "[ . 1 . 2]" 1
965 1 58 LYS QB 1 59 TRP HD1 . . 5.400 4.258 3.518 5.183 . 0 0 "[ . 1 . 2]" 1
966 1 58 LYS QB 1 60 ILE H . . 5.500 4.532 4.295 5.061 . 0 0 "[ . 1 . 2]" 1
967 1 58 LYS QD 1 58 LYS HG2 . . 2.780 2.326 2.137 2.430 . 0 0 "[ . 1 . 2]" 1
968 1 58 LYS QD 1 58 LYS QG . . 2.410 2.065 1.978 2.097 . 0 0 "[ . 1 . 2]" 1
969 1 58 LYS QD 1 58 LYS HG3 . . 2.780 2.319 2.168 2.370 . 0 0 "[ . 1 . 2]" 1
970 1 58 LYS QD 1 59 TRP H . . 5.500 4.484 1.863 5.179 . 0 0 "[ . 1 . 2]" 1
971 1 58 LYS QE 1 58 LYS QG . . 3.470 2.227 2.088 2.443 . 0 0 "[ . 1 . 2]" 1
972 1 59 TRP H 1 59 TRP HB3 . . 4.140 2.668 2.605 2.776 . 0 0 "[ . 1 . 2]" 1
973 1 59 TRP H 1 60 ILE H . . 4.860 2.475 2.289 2.537 . 0 0 "[ . 1 . 2]" 1
974 1 59 TRP H 1 61 GLN H . . 4.460 4.050 3.870 4.193 . 0 0 "[ . 1 . 2]" 1
975 1 59 TRP HA 1 62 GLU H . . 5.220 3.111 2.927 3.475 . 0 0 "[ . 1 . 2]" 1
976 1 59 TRP HA 1 62 GLU QB . . 4.430 2.860 2.324 3.862 . 0 0 "[ . 1 . 2]" 1
977 1 59 TRP HA 1 62 GLU HG2 . . 5.180 3.008 1.916 4.394 . 0 0 "[ . 1 . 2]" 1
978 1 59 TRP HA 1 62 GLU HG3 . . 5.180 2.759 2.128 3.515 . 0 0 "[ . 1 . 2]" 1
979 1 59 TRP HB2 1 60 ILE H . . 5.500 4.103 4.010 4.201 . 0 0 "[ . 1 . 2]" 1
980 1 59 TRP HB3 1 60 ILE H . . 5.500 4.131 4.049 4.262 . 0 0 "[ . 1 . 2]" 1
981 1 59 TRP HD1 1 60 ILE MD . . 5.500 5.385 5.193 5.505 0.005 13 0 "[ . 1 . 2]" 1
982 1 59 TRP HE3 1 60 ILE HA . . 5.450 3.541 3.338 3.693 . 0 0 "[ . 1 . 2]" 1
983 1 59 TRP HE3 1 60 ILE MD . . 4.400 3.279 3.148 3.418 . 0 0 "[ . 1 . 2]" 1
984 1 59 TRP HH2 1 60 ILE MD . . 4.440 2.710 2.654 2.810 . 0 0 "[ . 1 . 2]" 1
985 1 59 TRP HH2 1 60 ILE MG . . 5.500 5.582 5.543 5.603 0.103 16 0 "[ . 1 . 2]" 1
986 1 59 TRP HZ2 1 60 ILE MD . . 5.380 3.190 3.037 3.396 . 0 0 "[ . 1 . 2]" 1
987 1 59 TRP HZ3 1 60 ILE HA . . 4.390 4.255 3.963 4.400 0.010 15 0 "[ . 1 . 2]" 1
988 1 59 TRP HZ3 1 60 ILE MD . . 5.030 2.819 2.680 2.930 . 0 0 "[ . 1 . 2]" 1
989 1 59 TRP HZ3 1 63 TYR HB2 . . 5.040 3.580 2.976 3.947 . 0 0 "[ . 1 . 2]" 1
990 1 59 TRP HZ3 1 63 TYR HB3 . . 4.910 4.755 4.355 4.940 0.030 20 0 "[ . 1 . 2]" 1
991 1 60 ILE H 1 60 ILE MD . . 4.960 3.606 3.516 3.674 . 0 0 "[ . 1 . 2]" 1
992 1 60 ILE H 1 60 ILE HG12 . . 4.240 2.536 2.447 2.633 . 0 0 "[ . 1 . 2]" 1
993 1 60 ILE H 1 60 ILE HG13 . . 4.510 3.840 3.793 3.921 . 0 0 "[ . 1 . 2]" 1
994 1 60 ILE H 1 60 ILE MG . . 3.910 3.721 3.692 3.744 . 0 0 "[ . 1 . 2]" 1
995 1 60 ILE H 1 61 GLN H . . 4.180 2.469 2.389 2.556 . 0 0 "[ . 1 . 2]" 1
996 1 60 ILE H 1 62 GLU H . . 5.360 3.970 3.769 4.161 . 0 0 "[ . 1 . 2]" 1
997 1 60 ILE HA 1 60 ILE MD . . 3.590 1.979 1.943 2.020 . 0 0 "[ . 1 . 2]" 1
998 1 60 ILE HA 1 60 ILE HG12 . . 3.650 2.937 2.864 3.029 . 0 0 "[ . 1 . 2]" 1
999 1 60 ILE HA 1 60 ILE MG . . 3.550 2.501 2.436 2.591 . 0 0 "[ . 1 . 2]" 1
1000 1 60 ILE HA 1 62 GLU H . . 5.150 4.300 4.055 4.617 . 0 0 "[ . 1 . 2]" 1
1001 1 60 ILE HA 1 63 TYR H . . 4.990 3.071 2.897 3.268 . 0 0 "[ . 1 . 2]" 1
1002 1 60 ILE HA 1 63 TYR HB2 . . 4.130 2.754 2.560 2.970 . 0 0 "[ . 1 . 2]" 1
1003 1 60 ILE HA 1 63 TYR HB3 . . 3.950 2.164 2.057 2.294 . 0 0 "[ . 1 . 2]" 1
1004 1 60 ILE HA 1 63 TYR QD . . 4.490 3.503 3.081 3.675 . 0 0 "[ . 1 . 2]" 1
1005 1 60 ILE HA 1 64 LEU H . . 5.150 3.904 3.759 4.072 . 0 0 "[ . 1 . 2]" 1
1006 1 60 ILE HA 1 64 LEU MD1 . . 5.050 3.936 3.318 4.207 . 0 0 "[ . 1 . 2]" 1
1007 1 60 ILE HA 1 64 LEU HG . . 5.500 4.723 4.291 5.585 0.085 1 0 "[ . 1 . 2]" 1
1008 1 60 ILE HB 1 61 GLN H . . 5.030 2.792 2.614 2.980 . 0 0 "[ . 1 . 2]" 1
1009 1 60 ILE MD 1 60 ILE MG . . 3.090 1.898 1.879 1.935 . 0 0 "[ . 1 . 2]" 1
1010 1 60 ILE MD 1 63 TYR HB2 . . 4.900 3.243 2.955 3.448 . 0 0 "[ . 1 . 2]" 1
1011 1 60 ILE MD 1 63 TYR HB3 . . 4.680 3.146 3.057 3.243 . 0 0 "[ . 1 . 2]" 1
1012 1 60 ILE MD 1 63 TYR QD . . 4.560 3.215 2.938 3.480 . 0 0 "[ . 1 . 2]" 1
1013 1 60 ILE MD 1 63 TYR QE . . 5.500 4.250 3.865 4.548 . 0 0 "[ . 1 . 2]" 1
1014 1 60 ILE MD 1 64 LEU H . . 5.500 4.902 4.753 5.095 . 0 0 "[ . 1 . 2]" 1
1015 1 60 ILE HG12 1 63 TYR HB3 . . 5.500 5.023 4.909 5.137 . 0 0 "[ . 1 . 2]" 1
1016 1 60 ILE HG13 1 60 ILE MG . . 3.480 2.343 2.281 2.409 . 0 0 "[ . 1 . 2]" 1
1017 1 60 ILE HG13 1 63 TYR HB3 . . 5.500 5.518 5.396 5.598 0.098 6 0 "[ . 1 . 2]" 1
1018 1 60 ILE MG 1 61 GLN H . . 4.000 3.325 3.184 3.471 . 0 0 "[ . 1 . 2]" 1
1019 1 60 ILE MG 1 61 GLN HA . . 4.470 3.386 3.256 3.507 . 0 0 "[ . 1 . 2]" 1
1020 1 60 ILE MG 1 61 GLN QB . . 4.940 4.668 4.544 4.815 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ILE MG 1 61 GLN HG2 . . 4.810 4.025 3.768 4.492 . 0 0 "[ . 1 . 2]" 1
1022 1 60 ILE MG 1 63 TYR HB2 . . 5.200 4.253 3.968 4.451 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ILE MG 1 63 TYR HB3 . . 5.010 3.115 2.919 3.285 . 0 0 "[ . 1 . 2]" 1
1024 1 60 ILE MG 1 63 TYR QD . . 4.340 2.739 2.517 2.959 . 0 0 "[ . 1 . 2]" 1
1025 1 60 ILE MG 1 63 TYR QE . . 4.390 4.225 3.882 4.474 0.084 8 0 "[ . 1 . 2]" 1
1026 1 60 ILE MG 1 64 LEU H . . 4.860 3.725 3.596 3.844 . 0 0 "[ . 1 . 2]" 1
1027 1 60 ILE MG 1 64 LEU HA . . 5.500 5.161 4.961 5.401 . 0 0 "[ . 1 . 2]" 1
1028 1 60 ILE MG 1 64 LEU MD2 . . 3.860 3.820 3.731 3.913 0.053 7 0 "[ . 1 . 2]" 1
1029 1 60 ILE MG 1 64 LEU HG . . 3.860 3.307 2.955 3.922 0.062 8 0 "[ . 1 . 2]" 1
1030 1 60 ILE MG 1 65 GLU H . . 5.500 5.576 5.513 5.685 0.185 3 0 "[ . 1 . 2]" 1
1031 1 60 ILE O 1 64 LEU H . . 2.000 1.876 1.756 1.970 . 0 0 "[ . 1 . 2]" 1
1032 1 60 ILE O 1 64 LEU N . . 3.000 2.829 2.711 2.929 . 0 0 "[ . 1 . 2]" 1
1033 1 61 GLN H 1 61 GLN QB . . 3.660 2.438 2.372 2.613 . 0 0 "[ . 1 . 2]" 1
1034 1 61 GLN H 1 61 GLN HG2 . . 4.030 2.361 2.191 2.545 . 0 0 "[ . 1 . 2]" 1
1035 1 61 GLN H 1 61 GLN HG3 . . 4.040 3.746 3.640 3.833 . 0 0 "[ . 1 . 2]" 1
1036 1 61 GLN H 1 62 GLU H . . 3.920 2.697 2.526 2.861 . 0 0 "[ . 1 . 2]" 1
1037 1 61 GLN H 1 64 LEU MD1 . . 5.500 4.413 4.186 4.617 . 0 0 "[ . 1 . 2]" 1
1038 1 61 GLN HA 1 61 GLN HE21 . . 5.170 2.440 2.223 2.826 . 0 0 "[ . 1 . 2]" 1
1039 1 61 GLN HA 1 61 GLN HE22 . . 5.500 3.131 3.015 3.301 . 0 0 "[ . 1 . 2]" 1
1040 1 61 GLN HA 1 61 GLN HG2 . . 3.870 3.021 2.898 3.312 . 0 0 "[ . 1 . 2]" 1
1041 1 61 GLN HA 1 61 GLN HG3 . . 3.770 3.719 3.668 3.785 0.015 1 0 "[ . 1 . 2]" 1
1042 1 61 GLN HA 1 64 LEU H . . 3.930 3.404 3.218 3.650 . 0 0 "[ . 1 . 2]" 1
1043 1 61 GLN HA 1 65 GLU H . . 4.910 3.806 3.519 4.156 . 0 0 "[ . 1 . 2]" 1
1044 1 61 GLN QB 1 62 GLU H . . 3.770 2.575 2.319 2.776 . 0 0 "[ . 1 . 2]" 1
1045 1 61 GLN QB 1 64 LEU H . . 5.190 4.924 4.757 5.117 . 0 0 "[ . 1 . 2]" 1
1046 1 61 GLN HE21 1 64 LEU MD1 . . 5.080 3.155 2.856 3.928 . 0 0 "[ . 1 . 2]" 1
1047 1 61 GLN HE22 1 64 LEU MD2 . . 5.230 5.199 4.567 5.304 0.074 5 0 "[ . 1 . 2]" 1
1048 1 61 GLN O 1 65 GLU H . . 2.000 1.874 1.636 2.072 0.072 18 0 "[ . 1 . 2]" 1
1049 1 61 GLN O 1 65 GLU N . . 3.000 2.809 2.608 3.044 0.044 18 0 "[ . 1 . 2]" 1
1050 1 62 GLU H 1 62 GLU HB2 . . 3.610 2.766 2.475 3.644 0.034 10 0 "[ . 1 . 2]" 1
1051 1 62 GLU H 1 62 GLU QB . . 3.080 2.518 2.435 2.608 . 0 0 "[ . 1 . 2]" 1
1052 1 62 GLU H 1 62 GLU HB3 . . 3.610 3.411 2.634 3.615 0.005 2 0 "[ . 1 . 2]" 1
1053 1 62 GLU H 1 62 GLU HG2 . . 3.860 2.598 2.016 3.327 . 0 0 "[ . 1 . 2]" 1
1054 1 62 GLU H 1 62 GLU QG . . 3.310 2.126 2.003 2.298 . 0 0 "[ . 1 . 2]" 1
1055 1 62 GLU H 1 62 GLU HG3 . . 3.860 2.954 2.036 3.732 . 0 0 "[ . 1 . 2]" 1
1056 1 62 GLU H 1 63 TYR H . . 3.440 2.631 2.527 2.773 . 0 0 "[ . 1 . 2]" 1
1057 1 62 GLU HA 1 62 GLU HG2 . . 4.010 3.082 2.524 4.116 0.106 3 0 "[ . 1 . 2]" 1
1058 1 62 GLU HA 1 62 GLU QG . . 3.500 2.880 2.427 3.386 . 0 0 "[ . 1 . 2]" 1
1059 1 62 GLU HA 1 62 GLU HG3 . . 4.010 3.561 3.129 3.855 . 0 0 "[ . 1 . 2]" 1
1060 1 62 GLU HA 1 65 GLU H . . 4.750 3.517 2.918 3.885 . 0 0 "[ . 1 . 2]" 1
1061 1 62 GLU HA 1 65 GLU HB2 . . 4.200 2.871 2.255 3.701 . 0 0 "[ . 1 . 2]" 1
1062 1 62 GLU HA 1 65 GLU QB . . 3.540 2.531 2.062 2.746 . 0 0 "[ . 1 . 2]" 1
1063 1 62 GLU HA 1 65 GLU HB3 . . 4.200 3.461 2.164 4.300 0.100 14 0 "[ . 1 . 2]" 1
1064 1 62 GLU HA 1 66 LYS H . . 5.500 3.872 3.659 4.048 . 0 0 "[ . 1 . 2]" 1
1065 1 62 GLU O 1 66 LYS H . . 2.000 1.951 1.840 2.034 0.034 4 0 "[ . 1 . 2]" 1
1066 1 62 GLU O 1 66 LYS N . . 3.000 2.877 2.727 2.978 . 0 0 "[ . 1 . 2]" 1
1067 1 63 TYR H 1 63 TYR QD . . 4.990 4.176 4.136 4.196 . 0 0 "[ . 1 . 2]" 1
1068 1 63 TYR H 1 64 LEU H . . 4.390 2.823 2.661 2.921 . 0 0 "[ . 1 . 2]" 1
1069 1 63 TYR HA 1 63 TYR QD . . 3.850 2.626 2.467 2.730 . 0 0 "[ . 1 . 2]" 1
1070 1 63 TYR HA 1 63 TYR QE . . 5.470 4.681 4.601 4.796 . 0 0 "[ . 1 . 2]" 1
1071 1 63 TYR HA 1 66 LYS H . . 4.730 3.819 3.527 4.058 . 0 0 "[ . 1 . 2]" 1
1072 1 63 TYR HA 1 66 LYS QB . . 3.800 2.788 2.320 3.896 0.096 7 0 "[ . 1 . 2]" 1
1073 1 63 TYR HA 1 67 ALA MB . . 5.500 4.563 4.311 4.855 . 0 0 "[ . 1 . 2]" 1
1074 1 63 TYR HB2 1 64 LEU H . . 4.430 3.782 3.670 3.938 . 0 0 "[ . 1 . 2]" 1
1075 1 63 TYR HB2 1 64 LEU MD1 . . 5.030 4.952 4.100 5.204 0.174 20 0 "[ . 1 . 2]" 1
1076 1 63 TYR HB2 1 64 LEU HG . . 5.500 4.850 4.512 5.620 0.120 18 0 "[ . 1 . 2]" 1
1077 1 63 TYR HB3 1 64 LEU H . . 4.130 2.372 2.230 2.543 . 0 0 "[ . 1 . 2]" 1
1078 1 63 TYR HB3 1 64 LEU MD1 . . 4.840 3.482 2.517 3.768 . 0 0 "[ . 1 . 2]" 1
1079 1 63 TYR HB3 1 64 LEU HG . . 5.240 3.325 2.917 4.163 . 0 0 "[ . 1 . 2]" 1
1080 1 63 TYR QD 1 64 LEU H . . 4.840 3.169 3.026 3.315 . 0 0 "[ . 1 . 2]" 1
1081 1 63 TYR QD 1 64 LEU HA . . 5.040 3.681 3.451 3.843 . 0 0 "[ . 1 . 2]" 1
1082 1 63 TYR QD 1 64 LEU MD1 . . 3.560 2.709 2.112 2.906 . 0 0 "[ . 1 . 2]" 1
1083 1 63 TYR QD 1 64 LEU HG . . 4.350 2.019 1.800 2.525 . 0 0 "[ . 1 . 2]" 1
1084 1 63 TYR QD 1 67 ALA MB . . 4.610 3.985 3.601 4.354 . 0 0 "[ . 1 . 2]" 1
1085 1 63 TYR QE 1 64 LEU HA . . 5.500 4.404 4.188 4.571 . 0 0 "[ . 1 . 2]" 1
1086 1 63 TYR QE 1 64 LEU MD1 . . 3.580 3.659 3.593 3.703 0.123 10 0 "[ . 1 . 2]" 1
1087 1 63 TYR QE 1 67 ALA MB . . 4.260 3.643 3.262 4.105 . 0 0 "[ . 1 . 2]" 1
1088 1 63 TYR O 1 67 ALA H . . 2.000 1.913 1.751 2.063 0.063 1 0 "[ . 1 . 2]" 1
1089 1 63 TYR O 1 67 ALA N . . 3.000 2.875 2.725 3.034 0.034 2 0 "[ . 1 . 2]" 1
1090 1 64 LEU H 1 64 LEU HB2 . . 3.390 2.359 2.246 2.638 . 0 0 "[ . 1 . 2]" 1
1091 1 64 LEU H 1 64 LEU MD1 . . 3.900 2.864 1.989 3.244 . 0 0 "[ . 1 . 2]" 1
1092 1 64 LEU H 1 64 LEU MD2 . . 4.910 3.906 3.728 4.242 . 0 0 "[ . 1 . 2]" 1
1093 1 64 LEU H 1 64 LEU HG . . 3.880 2.676 2.409 3.273 . 0 0 "[ . 1 . 2]" 1
1094 1 64 LEU H 1 65 GLU H . . 3.840 2.605 2.519 2.706 . 0 0 "[ . 1 . 2]" 1
1095 1 64 LEU HA 1 64 LEU MD1 . . 3.440 3.565 3.290 3.654 0.214 16 0 "[ . 1 . 2]" 1
1096 1 64 LEU HA 1 64 LEU HG . . 4.250 2.486 2.394 2.531 . 0 0 "[ . 1 . 2]" 1
1097 1 64 LEU HA 1 67 ALA H . . 4.650 3.345 3.030 3.905 . 0 0 "[ . 1 . 2]" 1
1098 1 64 LEU HA 1 67 ALA MB . . 3.550 2.571 2.133 3.195 . 0 0 "[ . 1 . 2]" 1
1099 1 64 LEU HA 1 68 LEU H . . 4.800 3.527 3.219 3.716 . 0 0 "[ . 1 . 2]" 1
1100 1 64 LEU HA 1 68 LEU QB . . 4.670 4.592 3.719 4.779 0.109 3 0 "[ . 1 . 2]" 1
1101 1 64 LEU HB2 1 64 LEU MD1 . . 3.490 2.197 2.147 2.228 . 0 0 "[ . 1 . 2]" 1
1102 1 64 LEU HB2 1 64 LEU MD2 . . 3.360 3.052 2.702 3.180 . 0 0 "[ . 1 . 2]" 1
1103 1 64 LEU HB2 1 65 GLU H . . 4.220 2.893 2.564 3.117 . 0 0 "[ . 1 . 2]" 1
1104 1 64 LEU HB3 1 64 LEU MD2 . . 3.480 2.204 2.165 2.232 . 0 0 "[ . 1 . 2]" 1
1105 1 64 LEU HB3 1 65 GLU H . . 4.530 3.703 3.377 3.949 . 0 0 "[ . 1 . 2]" 1
1106 1 64 LEU MD1 1 65 GLU H . . 4.740 4.401 3.900 4.755 0.015 17 0 "[ . 1 . 2]" 1
1107 1 64 LEU HG 1 65 GLU H . . 5.370 4.657 4.465 5.024 . 0 0 "[ . 1 . 2]" 1
1108 1 64 LEU O 1 68 LEU H . . 2.000 1.898 1.752 2.041 0.041 13 0 "[ . 1 . 2]" 1
1109 1 64 LEU O 1 68 LEU N . . 3.000 2.806 2.682 2.977 . 0 0 "[ . 1 . 2]" 1
1110 1 65 GLU H 1 65 GLU HB2 . . 3.780 2.462 2.308 2.613 . 0 0 "[ . 1 . 2]" 1
1111 1 65 GLU H 1 65 GLU HB3 . . 3.780 3.142 2.415 3.751 . 0 0 "[ . 1 . 2]" 1
1112 1 65 GLU H 1 65 GLU HG2 . . 4.440 3.682 2.191 4.443 0.003 2 0 "[ . 1 . 2]" 1
1113 1 65 GLU H 1 65 GLU QG . . 3.850 3.091 2.175 3.923 0.073 12 0 "[ . 1 . 2]" 1
1114 1 65 GLU H 1 65 GLU HG3 . . 4.440 3.625 2.237 4.475 0.035 17 0 "[ . 1 . 2]" 1
1115 1 65 GLU H 1 66 LYS H . . 4.300 2.671 2.570 2.746 . 0 0 "[ . 1 . 2]" 1
1116 1 65 GLU HA 1 65 GLU HG2 . . 4.170 2.899 2.391 3.721 . 0 0 "[ . 1 . 2]" 1
1117 1 65 GLU HA 1 65 GLU QG . . 3.630 2.543 2.302 3.017 . 0 0 "[ . 1 . 2]" 1
1118 1 65 GLU HA 1 65 GLU HG3 . . 4.170 3.083 2.513 3.791 . 0 0 "[ . 1 . 2]" 1
1119 1 65 GLU HA 1 68 LEU H . . 4.590 3.791 3.346 4.128 . 0 0 "[ . 1 . 2]" 1
1120 1 65 GLU HA 1 68 LEU QB . . 4.340 3.078 2.223 3.642 . 0 0 "[ . 1 . 2]" 1
1121 1 65 GLU HA 1 69 ASN H . . 5.500 3.973 3.720 4.195 . 0 0 "[ . 1 . 2]" 1
1122 1 65 GLU QB 1 65 GLU QG . . 2.360 2.042 1.969 2.086 . 0 0 "[ . 1 . 2]" 1
1123 1 65 GLU QB 1 66 LYS H . . 4.110 2.410 2.182 2.748 . 0 0 "[ . 1 . 2]" 1
1124 1 65 GLU HB2 1 66 LYS H . . 4.690 3.053 2.303 3.870 . 0 0 "[ . 1 . 2]" 1
1125 1 65 GLU HB3 1 66 LYS H . . 4.690 2.981 2.205 3.767 . 0 0 "[ . 1 . 2]" 1
1126 1 65 GLU O 1 69 ASN H . . 2.000 2.036 1.916 2.139 0.139 20 0 "[ . 1 . 2]" 1
1127 1 65 GLU O 1 69 ASN N . . 3.000 2.905 2.804 3.041 0.041 20 0 "[ . 1 . 2]" 1
1128 1 66 LYS H 1 66 LYS QD . . 5.000 4.292 3.972 4.680 . 0 0 "[ . 1 . 2]" 1
1129 1 66 LYS H 1 66 LYS HG2 . . 4.710 4.339 2.581 4.516 . 0 0 "[ . 1 . 2]" 1
1130 1 66 LYS H 1 66 LYS HG3 . . 4.750 4.295 3.612 4.438 . 0 0 "[ . 1 . 2]" 1
1131 1 66 LYS H 1 67 ALA H . . 4.500 2.934 2.506 3.048 . 0 0 "[ . 1 . 2]" 1
1132 1 66 LYS HA 1 66 LYS QD . . 3.820 2.531 2.093 4.035 0.215 7 0 "[ . 1 . 2]" 1
1133 1 66 LYS HA 1 66 LYS QE . . 5.310 3.743 1.798 5.342 0.032 7 0 "[ . 1 . 2]" 1
1134 1 66 LYS HA 1 66 LYS HG2 . . 4.170 3.776 3.405 3.878 . 0 0 "[ . 1 . 2]" 1
1135 1 66 LYS HA 1 69 ASN HB2 . . 5.500 4.034 3.145 4.973 . 0 0 "[ . 1 . 2]" 1
1136 1 66 LYS HA 1 69 ASN QB . . 4.730 3.180 2.192 3.733 . 0 0 "[ . 1 . 2]" 1
1137 1 66 LYS HA 1 69 ASN HB3 . . 5.500 3.749 2.236 5.447 . 0 0 "[ . 1 . 2]" 1
1138 1 66 LYS QB 1 66 LYS QD . . 3.000 2.385 1.932 2.804 . 0 0 "[ . 1 . 2]" 1
1139 1 66 LYS QB 1 66 LYS QE . . 3.770 2.974 1.917 3.795 0.025 5 0 "[ . 1 . 2]" 1
1140 1 66 LYS QB 1 67 ALA H . . 4.480 1.977 1.778 3.481 . 0 0 "[ . 1 . 2]" 1
1141 1 66 LYS QD 1 66 LYS HG2 . . 2.400 2.389 2.245 2.429 0.029 20 0 "[ . 1 . 2]" 1
1142 1 66 LYS QD 1 66 LYS HG3 . . 2.400 2.290 2.178 2.406 0.006 11 0 "[ . 1 . 2]" 1
1143 1 66 LYS QE 1 66 LYS HG2 . . 3.740 2.553 2.417 3.394 . 0 0 "[ . 1 . 2]" 1
1144 1 66 LYS QE 1 66 LYS HG3 . . 3.670 2.770 2.322 3.346 . 0 0 "[ . 1 . 2]" 1
1145 1 66 LYS HG2 1 67 ALA H . . 3.280 3.340 2.538 3.526 0.246 12 0 "[ . 1 . 2]" 1
1146 1 66 LYS HG3 1 67 ALA H . . 3.470 2.889 2.631 3.708 0.238 3 0 "[ . 1 . 2]" 1
1147 1 66 LYS O 1 70 LYS H . . 2.000 1.986 1.730 2.067 0.067 8 0 "[ . 1 . 2]" 1
1148 1 66 LYS O 1 70 LYS N . . 3.000 2.771 2.599 2.847 . 0 0 "[ . 1 . 2]" 1
1149 1 67 ALA H 1 67 ALA MB . . 3.130 2.249 2.236 2.275 . 0 0 "[ . 1 . 2]" 1
1150 1 67 ALA H 1 68 LEU H . . 3.930 2.937 2.619 3.066 . 0 0 "[ . 1 . 2]" 1
1151 1 67 ALA HA 1 70 LYS H . . 4.910 3.529 3.375 3.749 . 0 0 "[ . 1 . 2]" 1
1152 1 67 ALA HA 1 70 LYS HB2 . . 5.230 2.782 2.480 3.026 . 0 0 "[ . 1 . 2]" 1
1153 1 67 ALA HA 1 70 LYS HB3 . . 5.230 2.736 2.173 3.242 . 0 0 "[ . 1 . 2]" 1
1154 1 67 ALA MB 1 68 LEU H . . 3.420 2.708 2.515 2.841 . 0 0 "[ . 1 . 2]" 1
1155 1 67 ALA MB 1 68 LEU HA . . 3.780 3.818 3.797 3.851 0.071 10 0 "[ . 1 . 2]" 1
1156 1 67 ALA MB 1 70 LYS HB2 . . 4.490 4.357 4.114 4.539 0.049 5 0 "[ . 1 . 2]" 1
1157 1 67 ALA MB 1 70 LYS QB . . 3.730 3.695 3.403 3.783 0.053 1 0 "[ . 1 . 2]" 1
1158 1 67 ALA MB 1 70 LYS HB3 . . 4.490 4.011 3.577 4.291 . 0 0 "[ . 1 . 2]" 1
1159 1 68 LEU H 1 68 LEU HB2 . . 4.180 2.444 2.264 2.645 . 0 0 "[ . 1 . 2]" 1
1160 1 68 LEU H 1 68 LEU QB . . 3.440 2.384 2.119 2.490 . 0 0 "[ . 1 . 2]" 1
1161 1 68 LEU H 1 68 LEU HB3 . . 4.180 3.557 2.230 3.680 . 0 0 "[ . 1 . 2]" 1
1162 1 68 LEU H 1 68 LEU QD . . 4.130 3.152 2.272 3.681 . 0 0 "[ . 1 . 2]" 1
1163 1 68 LEU H 1 68 LEU HG . . 3.830 2.786 2.464 4.053 0.223 1 0 "[ . 1 . 2]" 1
1164 1 68 LEU H 1 69 ASN H . . 5.070 2.493 2.368 2.626 . 0 0 "[ . 1 . 2]" 1
1165 1 68 LEU HA 1 68 LEU QD . . 3.080 2.052 1.964 2.607 . 0 0 "[ . 1 . 2]" 1
1166 1 68 LEU HB2 1 68 LEU QD . . 3.130 2.284 2.118 2.390 . 0 0 "[ . 1 . 2]" 1
1167 1 68 LEU HB3 1 68 LEU QD . . 3.130 2.149 2.116 2.293 . 0 0 "[ . 1 . 2]" 1
1168 1 69 ASN H 1 70 LYS H . . 4.680 2.337 2.156 2.523 . 0 0 "[ . 1 . 2]" 1
1169 1 69 ASN QB 1 70 LYS H . . 4.440 2.948 2.674 3.292 . 0 0 "[ . 1 . 2]" 1
1170 1 69 ASN HB2 1 70 LYS H . . 5.090 3.780 2.976 4.141 . 0 0 "[ . 1 . 2]" 1
1171 1 69 ASN HB3 1 70 LYS H . . 5.090 3.268 2.726 4.114 . 0 0 "[ . 1 . 2]" 1
1172 1 70 LYS H 1 70 LYS HB2 . . 4.050 2.445 2.377 2.588 . 0 0 "[ . 1 . 2]" 1
1173 1 70 LYS H 1 70 LYS QB . . 3.530 2.191 2.145 2.255 . 0 0 "[ . 1 . 2]" 1
1174 1 70 LYS H 1 70 LYS HB3 . . 4.050 2.480 2.380 2.632 . 0 0 "[ . 1 . 2]" 1
1175 1 70 LYS H 1 70 LYS QD . . 5.230 4.265 4.149 4.451 . 0 0 "[ . 1 . 2]" 1
1176 1 70 LYS H 1 70 LYS QG . . 4.540 3.937 3.920 3.980 . 0 0 "[ . 1 . 2]" 1
1177 1 70 LYS HA 1 70 LYS QD . . 3.860 3.941 3.910 4.020 0.160 15 0 "[ . 1 . 2]" 1
1178 1 70 LYS HA 1 70 LYS QG . . 3.920 2.471 2.407 2.516 . 0 0 "[ . 1 . 2]" 1
1179 1 70 LYS QB 1 70 LYS QD . . 2.200 2.073 2.025 2.152 . 0 0 "[ . 1 . 2]" 1
1180 1 70 LYS HB2 1 70 LYS QD . . 2.570 2.302 2.260 2.383 . 0 0 "[ . 1 . 2]" 1
1181 1 70 LYS HB3 1 70 LYS QD . . 2.570 2.362 2.246 2.649 0.079 17 0 "[ . 1 . 2]" 1
1182 1 70 LYS QD 1 70 LYS QG . . 2.400 2.060 1.995 2.077 . 0 0 "[ . 1 . 2]" 1
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