NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
462283 |
2edf   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2edf
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 2197
_Distance_constraint_stats_list.Viol_count 925
_Distance_constraint_stats_list.Viol_total 361.416
_Distance_constraint_stats_list.Viol_max 0.253
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0195
_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 8 PRO 0.007 0.007 14 0 "[ . 1 . 2]"
1 9 ALA 0.151 0.045 7 0 "[ . 1 . 2]"
1 10 ALA 0.200 0.029 6 0 "[ . 1 . 2]"
1 11 ILE 0.699 0.068 4 0 "[ . 1 . 2]"
1 12 ILE 0.403 0.071 4 0 "[ . 1 . 2]"
1 13 LYS 1.258 0.068 4 0 "[ . 1 . 2]"
1 14 PRO 0.768 0.062 16 0 "[ . 1 . 2]"
1 15 LEU 0.065 0.016 4 0 "[ . 1 . 2]"
1 16 GLU 0.014 0.013 4 0 "[ . 1 . 2]"
1 17 ASP 0.031 0.013 4 0 "[ . 1 . 2]"
1 18 GLN 0.034 0.008 16 0 "[ . 1 . 2]"
1 19 TRP 0.002 0.002 16 0 "[ . 1 . 2]"
1 20 VAL 0.052 0.011 18 0 "[ . 1 . 2]"
1 21 ALA 0.035 0.011 18 0 "[ . 1 . 2]"
1 22 PRO 0.023 0.011 4 0 "[ . 1 . 2]"
1 23 GLY 0.006 0.005 4 0 "[ . 1 . 2]"
1 24 GLU 0.093 0.018 1 0 "[ . 1 . 2]"
1 25 ASP 0.072 0.018 1 0 "[ . 1 . 2]"
1 26 VAL 0.134 0.022 16 0 "[ . 1 . 2]"
1 27 GLU 0.120 0.022 16 0 "[ . 1 . 2]"
1 28 LEU 0.039 0.009 4 0 "[ . 1 . 2]"
1 29 ARG 0.078 0.020 16 0 "[ . 1 . 2]"
1 30 CYS 0.042 0.014 14 0 "[ . 1 . 2]"
1 31 GLU 0.366 0.071 4 0 "[ . 1 . 2]"
1 32 LEU 0.364 0.041 4 0 "[ . 1 . 2]"
1 33 SER 0.095 0.022 19 0 "[ . 1 . 2]"
1 34 ARG 0.220 0.045 7 0 "[ . 1 . 2]"
1 35 ALA 0.167 0.111 7 0 "[ . 1 . 2]"
1 36 GLY 0.111 0.111 7 0 "[ . 1 . 2]"
1 37 THR 0.116 0.037 19 0 "[ . 1 . 2]"
1 38 PRO 0.010 0.006 7 0 "[ . 1 . 2]"
1 39 VAL 0.246 0.023 4 0 "[ . 1 . 2]"
1 40 HIS 0.279 0.053 7 0 "[ . 1 . 2]"
1 41 TRP 0.205 0.031 13 0 "[ . 1 . 2]"
1 42 LEU 0.360 0.024 16 0 "[ . 1 . 2]"
1 43 LYS 0.135 0.033 16 0 "[ . 1 . 2]"
1 44 ASP 0.045 0.014 3 0 "[ . 1 . 2]"
1 45 ARG 0.170 0.066 20 0 "[ . 1 . 2]"
1 46 LYS 0.568 0.152 20 0 "[ . 1 . 2]"
1 47 ALA 0.076 0.027 14 0 "[ . 1 . 2]"
1 48 ILE 0.113 0.026 14 0 "[ . 1 . 2]"
1 49 ARG 0.121 0.051 3 0 "[ . 1 . 2]"
1 50 LYS 0.134 0.048 4 0 "[ . 1 . 2]"
1 51 SER 0.005 0.005 10 0 "[ . 1 . 2]"
1 52 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.116 0.064 9 0 "[ . 1 . 2]"
1 54 TYR 0.019 0.009 4 0 "[ . 1 . 2]"
1 55 ASP 0.007 0.002 1 0 "[ . 1 . 2]"
1 56 VAL 0.086 0.015 16 0 "[ . 1 . 2]"
1 57 VAL 0.686 0.168 19 0 "[ . 1 . 2]"
1 58 CYS 0.730 0.168 19 0 "[ . 1 . 2]"
1 59 GLU 0.175 0.040 4 0 "[ . 1 . 2]"
1 60 GLY 0.008 0.008 4 0 "[ . 1 . 2]"
1 61 THR 0.097 0.040 4 0 "[ . 1 . 2]"
1 62 MET 0.319 0.042 16 0 "[ . 1 . 2]"
1 63 ALA 0.119 0.023 15 0 "[ . 1 . 2]"
1 64 MET 0.073 0.011 4 0 "[ . 1 . 2]"
1 65 LEU 0.050 0.015 16 0 "[ . 1 . 2]"
1 66 VAL 0.058 0.012 16 0 "[ . 1 . 2]"
1 67 ILE 0.062 0.020 4 0 "[ . 1 . 2]"
1 68 ARG 0.047 0.014 4 0 "[ . 1 . 2]"
1 69 GLY 0.025 0.011 4 0 "[ . 1 . 2]"
1 70 ALA 0.083 0.019 4 0 "[ . 1 . 2]"
1 71 SER 0.070 0.019 4 0 "[ . 1 . 2]"
1 72 LEU 0.046 0.014 4 0 "[ . 1 . 2]"
1 73 LYS 0.077 0.046 7 0 "[ . 1 . 2]"
1 74 ASP 0.022 0.020 4 0 "[ . 1 . 2]"
1 75 ALA 0.066 0.022 14 0 "[ . 1 . 2]"
1 76 GLY 0.009 0.005 16 0 "[ . 1 . 2]"
1 77 GLU 0.727 0.092 20 0 "[ . 1 . 2]"
1 78 TYR 1.478 0.096 20 0 "[ . 1 . 2]"
1 79 THR 2.174 0.107 16 0 "[ . 1 . 2]"
1 80 CYS 3.794 0.129 5 0 "[ . 1 . 2]"
1 81 GLU 2.090 0.129 5 0 "[ . 1 . 2]"
1 82 VAL 0.761 0.083 18 0 "[ . 1 . 2]"
1 83 GLU 3.433 0.253 13 0 "[ . 1 . 2]"
1 84 ALA 3.272 0.253 13 0 "[ . 1 . 2]"
1 85 SER 0.648 0.083 18 0 "[ . 1 . 2]"
1 86 LYS 1.678 0.124 3 0 "[ . 1 . 2]"
1 87 SER 0.149 0.029 19 0 "[ . 1 . 2]"
1 88 THR 0.362 0.043 13 0 "[ . 1 . 2]"
1 89 ALA 0.070 0.014 10 0 "[ . 1 . 2]"
1 90 SER 0.121 0.029 6 0 "[ . 1 . 2]"
1 91 LEU 0.037 0.018 4 0 "[ . 1 . 2]"
1 92 HIS 0.007 0.002 15 0 "[ . 1 . 2]"
1 93 VAL 0.660 0.099 14 0 "[ . 1 . 2]"
1 94 GLU 0.563 0.099 14 0 "[ . 1 . 2]"
1 95 GLU 0.013 0.013 8 0 "[ . 1 . 2]"
1 96 LYS 0.093 0.065 2 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 2 0 "[ . 1 . 2]"
1 99 GLY 0.003 0.003 15 0 "[ . 1 . 2]"
1 100 PRO 0.003 0.003 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 8 PRO HA 1 9 ALA H . . 2.830 2.393 2.223 2.645 . 0 0 "[ . 1 . 2]" 1
2 1 8 PRO HA 1 9 ALA MB . . 4.010 3.915 3.812 4.017 0.007 14 0 "[ . 1 . 2]" 1
3 1 8 PRO QB 1 10 ALA H . . 4.810 2.411 2.139 2.948 . 0 0 "[ . 1 . 2]" 1
4 1 8 PRO QB 1 10 ALA MB . . 3.820 2.927 2.631 3.176 . 0 0 "[ . 1 . 2]" 1
5 1 8 PRO HB2 1 9 ALA H . . 3.760 2.661 2.057 3.143 . 0 0 "[ . 1 . 2]" 1
6 1 8 PRO HB2 1 10 ALA MB . . 4.550 2.979 2.662 3.255 . 0 0 "[ . 1 . 2]" 1
7 1 8 PRO HB3 1 9 ALA H . . 3.760 3.489 3.203 3.751 . 0 0 "[ . 1 . 2]" 1
8 1 8 PRO HB3 1 10 ALA MB . . 4.550 4.311 4.124 4.495 . 0 0 "[ . 1 . 2]" 1
9 1 9 ALA H 1 9 ALA MB . . 3.190 2.345 2.115 2.522 . 0 0 "[ . 1 . 2]" 1
10 1 9 ALA H 1 34 ARG H . . 5.500 5.293 4.883 5.505 0.005 14 0 "[ . 1 . 2]" 1
11 1 9 ALA H 1 34 ARG QD . . 5.010 4.252 2.522 5.013 0.003 12 0 "[ . 1 . 2]" 1
12 1 9 ALA H 1 37 THR MG . . 5.350 4.540 4.044 5.111 . 0 0 "[ . 1 . 2]" 1
13 1 9 ALA H 1 83 GLU QG . . 4.370 3.397 2.462 4.023 . 0 0 "[ . 1 . 2]" 1
14 1 9 ALA HA 1 10 ALA H . . 3.190 2.938 2.732 3.123 . 0 0 "[ . 1 . 2]" 1
15 1 9 ALA HA 1 10 ALA MB . . 4.710 4.528 4.449 4.657 . 0 0 "[ . 1 . 2]" 1
16 1 9 ALA HA 1 32 LEU HB3 . . 4.320 3.810 3.369 4.107 . 0 0 "[ . 1 . 2]" 1
17 1 9 ALA HA 1 32 LEU MD2 . . 5.290 5.035 4.730 5.297 0.007 16 0 "[ . 1 . 2]" 1
18 1 9 ALA HA 1 34 ARG H . . 4.410 2.382 1.957 2.664 . 0 0 "[ . 1 . 2]" 1
19 1 9 ALA HA 1 34 ARG HA . . 4.370 4.275 3.978 4.415 0.045 7 0 "[ . 1 . 2]" 1
20 1 9 ALA HA 1 34 ARG QD . . 4.510 3.819 2.557 4.388 . 0 0 "[ . 1 . 2]" 1
21 1 9 ALA HA 1 34 ARG HG2 . . 5.140 4.223 1.994 4.931 . 0 0 "[ . 1 . 2]" 1
22 1 9 ALA HA 1 34 ARG QG . . 4.360 3.889 1.963 4.361 0.001 9 0 "[ . 1 . 2]" 1
23 1 9 ALA HA 1 34 ARG HG3 . . 5.140 4.693 2.930 5.153 0.013 4 0 "[ . 1 . 2]" 1
24 1 9 ALA MB 1 10 ALA HA . . 4.620 4.222 4.137 4.307 . 0 0 "[ . 1 . 2]" 1
25 1 9 ALA MB 1 32 LEU HA . . 5.500 4.937 4.448 5.420 . 0 0 "[ . 1 . 2]" 1
26 1 9 ALA MB 1 33 SER H . . 4.860 4.412 4.026 4.860 0.000 16 0 "[ . 1 . 2]" 1
27 1 9 ALA MB 1 34 ARG H . . 3.800 3.139 2.825 3.523 . 0 0 "[ . 1 . 2]" 1
28 1 9 ALA MB 1 34 ARG HB2 . . 4.530 3.555 2.714 4.304 . 0 0 "[ . 1 . 2]" 1
29 1 9 ALA MB 1 34 ARG QB . . 3.950 2.267 1.823 3.642 . 0 0 "[ . 1 . 2]" 1
30 1 9 ALA MB 1 34 ARG HB3 . . 4.530 2.325 1.853 3.983 . 0 0 "[ . 1 . 2]" 1
31 1 9 ALA MB 1 34 ARG QD . . 3.800 2.570 2.052 3.774 . 0 0 "[ . 1 . 2]" 1
32 1 9 ALA MB 1 34 ARG HG2 . . 4.630 3.240 1.846 4.624 . 0 0 "[ . 1 . 2]" 1
33 1 9 ALA MB 1 34 ARG HG3 . . 4.630 3.887 1.974 4.450 . 0 0 "[ . 1 . 2]" 1
34 1 9 ALA MB 1 37 THR H . . 4.810 4.181 3.000 4.828 0.018 4 0 "[ . 1 . 2]" 1
35 1 9 ALA MB 1 37 THR HB . . 4.100 2.609 1.846 3.638 . 0 0 "[ . 1 . 2]" 1
36 1 9 ALA MB 1 82 VAL MG2 . . 3.410 3.105 2.687 3.361 . 0 0 "[ . 1 . 2]" 1
37 1 9 ALA MB 1 83 GLU H . . 4.610 4.156 3.788 4.435 . 0 0 "[ . 1 . 2]" 1
38 1 9 ALA MB 1 83 GLU HB2 . . 4.760 4.319 3.868 4.728 . 0 0 "[ . 1 . 2]" 1
39 1 9 ALA MB 1 83 GLU HB3 . . 4.560 4.000 3.351 4.562 0.002 19 0 "[ . 1 . 2]" 1
40 1 9 ALA MB 1 83 GLU HG2 . . 4.490 2.530 2.153 2.914 . 0 0 "[ . 1 . 2]" 1
41 1 9 ALA MB 1 83 GLU QG . . 3.910 2.283 1.864 2.829 . 0 0 "[ . 1 . 2]" 1
42 1 9 ALA MB 1 83 GLU HG3 . . 4.490 3.059 1.958 3.887 . 0 0 "[ . 1 . 2]" 1
43 1 10 ALA H 1 10 ALA MB . . 3.450 2.158 2.030 2.233 . 0 0 "[ . 1 . 2]" 1
44 1 10 ALA H 1 11 ILE H . . 4.750 4.610 4.568 4.649 . 0 0 "[ . 1 . 2]" 1
45 1 10 ALA H 1 33 SER H . . 4.280 3.948 3.617 4.247 . 0 0 "[ . 1 . 2]" 1
46 1 10 ALA H 1 33 SER QB . . 4.520 2.829 2.529 3.669 . 0 0 "[ . 1 . 2]" 1
47 1 10 ALA HA 1 11 ILE H . . 3.030 2.459 2.312 2.589 . 0 0 "[ . 1 . 2]" 1
48 1 10 ALA HA 1 11 ILE HA . . 4.930 4.361 4.350 4.396 . 0 0 "[ . 1 . 2]" 1
49 1 10 ALA HA 1 11 ILE HB . . 4.950 4.841 4.732 4.935 . 0 0 "[ . 1 . 2]" 1
50 1 10 ALA HA 1 82 VAL MG1 . . 3.950 2.248 1.948 2.599 . 0 0 "[ . 1 . 2]" 1
51 1 10 ALA HA 1 82 VAL MG2 . . 4.380 3.349 2.852 3.844 . 0 0 "[ . 1 . 2]" 1
52 1 10 ALA HA 1 83 GLU H . . 5.110 4.915 4.551 5.120 0.010 16 0 "[ . 1 . 2]" 1
53 1 10 ALA HA 1 85 SER H . . 3.670 3.337 3.005 3.676 0.006 9 0 "[ . 1 . 2]" 1
54 1 10 ALA HA 1 85 SER QB . . 3.740 2.413 1.988 2.805 . 0 0 "[ . 1 . 2]" 1
55 1 10 ALA MB 1 11 ILE H . . 3.150 2.322 2.008 2.701 . 0 0 "[ . 1 . 2]" 1
56 1 10 ALA MB 1 11 ILE HA . . 4.140 4.127 4.045 4.169 0.029 6 0 "[ . 1 . 2]" 1
57 1 10 ALA MB 1 11 ILE MD . . 5.120 4.857 4.536 5.046 . 0 0 "[ . 1 . 2]" 1
58 1 10 ALA MB 1 12 ILE H . . 4.980 4.758 4.483 4.983 0.003 2 0 "[ . 1 . 2]" 1
59 1 10 ALA MB 1 12 ILE MD . . 4.110 3.929 3.687 4.124 0.014 16 0 "[ . 1 . 2]" 1
60 1 10 ALA MB 1 12 ILE MG . . 4.100 3.845 3.548 4.107 0.007 12 0 "[ . 1 . 2]" 1
61 1 10 ALA MB 1 32 LEU HA . . 5.500 5.064 4.896 5.216 . 0 0 "[ . 1 . 2]" 1
62 1 10 ALA MB 1 33 SER H . . 4.570 4.101 3.908 4.312 . 0 0 "[ . 1 . 2]" 1
63 1 10 ALA MB 1 33 SER QB . . 4.030 3.269 3.027 3.713 . 0 0 "[ . 1 . 2]" 1
64 1 10 ALA MB 1 83 GLU HB2 . . 5.500 5.365 4.828 5.522 0.022 4 0 "[ . 1 . 2]" 1
65 1 10 ALA MB 1 83 GLU QG . . 4.860 4.238 3.727 4.860 . 0 0 "[ . 1 . 2]" 1
66 1 10 ALA MB 1 85 SER H . . 4.630 3.514 2.969 3.848 . 0 0 "[ . 1 . 2]" 1
67 1 10 ALA MB 1 85 SER QB . . 3.610 2.331 1.844 2.969 . 0 0 "[ . 1 . 2]" 1
68 1 11 ILE H 1 11 ILE HB . . 3.040 2.555 2.484 2.647 . 0 0 "[ . 1 . 2]" 1
69 1 11 ILE H 1 11 ILE MD . . 4.010 3.468 3.228 3.686 . 0 0 "[ . 1 . 2]" 1
70 1 11 ILE H 1 11 ILE HG12 . . 4.120 3.857 3.708 3.974 . 0 0 "[ . 1 . 2]" 1
71 1 11 ILE H 1 11 ILE QG . . 3.560 2.439 2.297 2.562 . 0 0 "[ . 1 . 2]" 1
72 1 11 ILE H 1 11 ILE HG13 . . 4.120 2.466 2.319 2.594 . 0 0 "[ . 1 . 2]" 1
73 1 11 ILE H 1 11 ILE MG . . 4.000 3.809 3.781 3.850 . 0 0 "[ . 1 . 2]" 1
74 1 11 ILE H 1 12 ILE H . . 4.870 4.387 4.258 4.483 . 0 0 "[ . 1 . 2]" 1
75 1 11 ILE H 1 82 VAL MG1 . . 4.050 2.871 2.602 3.225 . 0 0 "[ . 1 . 2]" 1
76 1 11 ILE H 1 85 SER QB . . 3.880 2.103 1.827 2.527 . 0 0 "[ . 1 . 2]" 1
77 1 11 ILE HA 1 11 ILE MD . . 3.900 3.894 3.868 3.914 0.014 19 0 "[ . 1 . 2]" 1
78 1 11 ILE HA 1 11 ILE HG12 . . 4.090 2.745 2.625 2.865 . 0 0 "[ . 1 . 2]" 1
79 1 11 ILE HA 1 11 ILE QG . . 3.590 2.478 2.428 2.513 . 0 0 "[ . 1 . 2]" 1
80 1 11 ILE HA 1 11 ILE HG13 . . 4.090 2.831 2.728 2.995 . 0 0 "[ . 1 . 2]" 1
81 1 11 ILE HA 1 11 ILE MG . . 3.210 2.313 2.246 2.385 . 0 0 "[ . 1 . 2]" 1
82 1 11 ILE HA 1 12 ILE H . . 2.960 2.147 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
83 1 11 ILE HA 1 12 ILE HG12 . . 4.020 3.905 3.858 3.956 . 0 0 "[ . 1 . 2]" 1
84 1 11 ILE HA 1 13 LYS H . . 4.020 3.780 3.695 3.889 . 0 0 "[ . 1 . 2]" 1
85 1 11 ILE HA 1 32 LEU HA . . 3.410 2.434 2.317 2.627 . 0 0 "[ . 1 . 2]" 1
86 1 11 ILE HA 1 32 LEU MD1 . . 5.500 5.356 5.225 5.503 0.003 4 0 "[ . 1 . 2]" 1
87 1 11 ILE HA 1 32 LEU MD2 . . 3.510 2.930 2.600 3.156 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE HA 1 32 LEU HG . . 5.190 4.703 4.524 4.907 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE HB 1 11 ILE MD . . 3.100 2.325 2.206 2.401 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE HB 1 12 ILE H . . 4.740 4.248 4.076 4.378 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE HB 1 85 SER QB . . 3.880 3.123 2.705 3.645 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE HB 1 87 SER HA . . 5.500 5.397 5.163 5.513 0.013 12 0 "[ . 1 . 2]" 1
93 1 11 ILE HB 1 87 SER HB2 . . 4.330 3.748 3.383 4.118 . 0 0 "[ . 1 . 2]" 1
94 1 11 ILE MD 1 11 ILE MG . . 2.650 2.277 2.048 2.427 . 0 0 "[ . 1 . 2]" 1
95 1 11 ILE MD 1 14 PRO HA . . 4.550 4.275 4.137 4.479 . 0 0 "[ . 1 . 2]" 1
96 1 11 ILE MD 1 15 LEU H . . 5.410 5.130 4.922 5.397 . 0 0 "[ . 1 . 2]" 1
97 1 11 ILE MD 1 15 LEU MD1 . . 5.170 4.698 4.378 5.006 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE MD 1 39 VAL HB . . 5.500 5.112 4.602 5.502 0.002 9 0 "[ . 1 . 2]" 1
99 1 11 ILE MD 1 79 THR MG . . 5.500 5.244 4.873 5.475 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE MD 1 80 CYS H . . 4.850 4.645 4.415 4.786 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE MD 1 80 CYS QB . . 3.660 2.604 2.369 2.947 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE MD 1 81 GLU H . . 5.100 4.962 4.491 5.113 0.013 19 0 "[ . 1 . 2]" 1
103 1 11 ILE MD 1 81 GLU HA . . 4.750 4.064 3.418 4.393 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE MD 1 82 VAL H . . 3.900 3.189 2.549 3.626 . 0 0 "[ . 1 . 2]" 1
105 1 11 ILE MD 1 82 VAL HB . . 3.800 2.089 1.827 2.404 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE MD 1 85 SER H . . 4.970 4.788 4.454 4.975 0.005 12 0 "[ . 1 . 2]" 1
107 1 11 ILE MD 1 85 SER QB . . 3.430 2.869 2.474 3.201 . 0 0 "[ . 1 . 2]" 1
108 1 11 ILE MD 1 86 LYS H . . 4.380 3.501 2.997 3.724 . 0 0 "[ . 1 . 2]" 1
109 1 11 ILE MD 1 86 LYS HA . . 3.540 2.622 2.184 2.938 . 0 0 "[ . 1 . 2]" 1
110 1 11 ILE MD 1 86 LYS QB . . 5.340 4.218 3.826 4.600 . 0 0 "[ . 1 . 2]" 1
111 1 11 ILE MD 1 87 SER H . . 3.520 3.132 2.730 3.520 0.000 5 0 "[ . 1 . 2]" 1
112 1 11 ILE MD 1 87 SER HA . . 4.570 4.314 4.131 4.530 . 0 0 "[ . 1 . 2]" 1
113 1 11 ILE MD 1 87 SER HB2 . . 3.630 2.674 2.243 3.022 . 0 0 "[ . 1 . 2]" 1
114 1 11 ILE MD 1 87 SER HB3 . . 3.440 3.094 2.409 3.449 0.009 17 0 "[ . 1 . 2]" 1
115 1 11 ILE QG 1 82 VAL HB . . 4.010 2.660 2.171 3.086 . 0 0 "[ . 1 . 2]" 1
116 1 11 ILE QG 1 85 SER QB . . 4.130 2.973 2.514 3.293 . 0 0 "[ . 1 . 2]" 1
117 1 11 ILE HG12 1 85 SER QB . . 4.990 4.505 4.115 4.839 . 0 0 "[ . 1 . 2]" 1
118 1 11 ILE HG13 1 85 SER QB . . 4.990 3.017 2.537 3.363 . 0 0 "[ . 1 . 2]" 1
119 1 11 ILE MG 1 12 ILE H . . 3.600 2.577 2.158 2.914 . 0 0 "[ . 1 . 2]" 1
120 1 11 ILE MG 1 12 ILE HB . . 5.500 5.072 4.874 5.223 . 0 0 "[ . 1 . 2]" 1
121 1 11 ILE MG 1 12 ILE HG12 . . 4.790 3.694 3.530 3.830 . 0 0 "[ . 1 . 2]" 1
122 1 11 ILE MG 1 13 LYS H . . 3.230 2.434 2.262 2.599 . 0 0 "[ . 1 . 2]" 1
123 1 11 ILE MG 1 13 LYS HA . . 4.660 4.105 3.967 4.192 . 0 0 "[ . 1 . 2]" 1
124 1 11 ILE MG 1 13 LYS HB2 . . 4.680 3.862 3.704 3.950 . 0 0 "[ . 1 . 2]" 1
125 1 11 ILE MG 1 13 LYS QD . . 5.500 5.517 5.501 5.568 0.068 4 0 "[ . 1 . 2]" 1
126 1 11 ILE MG 1 14 PRO HA . . 3.040 2.564 2.382 2.700 . 0 0 "[ . 1 . 2]" 1
127 1 11 ILE MG 1 14 PRO HB2 . . 4.790 4.710 4.469 4.825 0.035 12 0 "[ . 1 . 2]" 1
128 1 11 ILE MG 1 14 PRO HB3 . . 4.000 3.635 3.344 3.821 . 0 0 "[ . 1 . 2]" 1
129 1 11 ILE MG 1 14 PRO HD3 . . 4.540 3.732 3.538 3.847 . 0 0 "[ . 1 . 2]" 1
130 1 11 ILE MG 1 14 PRO QG . . 4.890 4.586 4.375 4.689 . 0 0 "[ . 1 . 2]" 1
131 1 11 ILE MG 1 15 LEU H . . 4.530 4.225 4.033 4.450 . 0 0 "[ . 1 . 2]" 1
132 1 11 ILE MG 1 30 CYS HA . . 4.700 4.318 4.089 4.592 . 0 0 "[ . 1 . 2]" 1
133 1 11 ILE MG 1 30 CYS QB . . 3.480 2.706 2.489 2.877 . 0 0 "[ . 1 . 2]" 1
134 1 11 ILE MG 1 31 GLU H . . 3.710 2.769 2.560 3.084 . 0 0 "[ . 1 . 2]" 1
135 1 11 ILE MG 1 31 GLU HB2 . . 5.500 4.756 4.574 4.992 . 0 0 "[ . 1 . 2]" 1
136 1 11 ILE MG 1 31 GLU HB3 . . 4.600 3.743 3.521 4.080 . 0 0 "[ . 1 . 2]" 1
137 1 11 ILE MG 1 32 LEU HA . . 4.690 3.862 3.655 4.067 . 0 0 "[ . 1 . 2]" 1
138 1 11 ILE MG 1 80 CYS QB . . 4.570 4.132 3.844 4.393 . 0 0 "[ . 1 . 2]" 1
139 1 11 ILE MG 1 87 SER H . . 5.500 5.027 4.566 5.414 . 0 0 "[ . 1 . 2]" 1
140 1 11 ILE MG 1 87 SER HB2 . . 3.630 2.969 2.767 3.165 . 0 0 "[ . 1 . 2]" 1
141 1 11 ILE MG 1 87 SER HB3 . . 4.210 3.915 3.519 4.213 0.003 8 0 "[ . 1 . 2]" 1
142 1 12 ILE H 1 12 ILE HB . . 3.680 3.540 3.509 3.564 . 0 0 "[ . 1 . 2]" 1
143 1 12 ILE H 1 12 ILE MD . . 3.420 1.946 1.861 2.108 . 0 0 "[ . 1 . 2]" 1
144 1 12 ILE H 1 12 ILE HG12 . . 3.900 1.946 1.895 1.983 . 0 0 "[ . 1 . 2]" 1
145 1 12 ILE H 1 12 ILE HG13 . . 3.780 3.364 3.321 3.424 . 0 0 "[ . 1 . 2]" 1
146 1 12 ILE H 1 12 ILE MG . . 3.410 3.061 2.899 3.213 . 0 0 "[ . 1 . 2]" 1
147 1 12 ILE H 1 13 LYS H . . 2.900 2.257 2.068 2.422 . 0 0 "[ . 1 . 2]" 1
148 1 12 ILE H 1 13 LYS HA . . 5.210 4.962 4.794 5.099 . 0 0 "[ . 1 . 2]" 1
149 1 12 ILE H 1 13 LYS HB2 . . 4.820 4.567 4.404 4.792 . 0 0 "[ . 1 . 2]" 1
150 1 12 ILE H 1 31 GLU H . . 4.750 4.431 4.205 4.673 . 0 0 "[ . 1 . 2]" 1
151 1 12 ILE H 1 31 GLU HB3 . . 4.500 3.368 3.186 3.680 . 0 0 "[ . 1 . 2]" 1
152 1 12 ILE H 1 32 LEU HA . . 3.600 3.144 2.972 3.266 . 0 0 "[ . 1 . 2]" 1
153 1 12 ILE HA 1 12 ILE MD . . 3.360 3.301 3.214 3.363 0.003 19 0 "[ . 1 . 2]" 1
154 1 12 ILE HA 1 12 ILE MG . . 2.960 2.184 2.041 2.220 . 0 0 "[ . 1 . 2]" 1
155 1 12 ILE HA 1 13 LYS HA . . 4.770 4.567 4.550 4.579 . 0 0 "[ . 1 . 2]" 1
156 1 12 ILE HB 1 12 ILE MD . . 3.340 3.182 3.170 3.194 . 0 0 "[ . 1 . 2]" 1
157 1 12 ILE HB 1 13 LYS H . . 3.430 3.435 3.394 3.461 0.031 16 0 "[ . 1 . 2]" 1
158 1 12 ILE HB 1 31 GLU QG . . 4.840 4.477 4.142 4.777 . 0 0 "[ . 1 . 2]" 1
159 1 12 ILE MD 1 13 LYS QD . . 5.500 5.308 5.173 5.523 0.023 16 0 "[ . 1 . 2]" 1
160 1 12 ILE MD 1 13 LYS QG . . 4.510 4.222 3.970 4.459 . 0 0 "[ . 1 . 2]" 1
161 1 12 ILE MD 1 31 GLU HB3 . . 3.850 3.324 3.178 3.520 . 0 0 "[ . 1 . 2]" 1
162 1 12 ILE MD 1 31 GLU QG . . 3.670 2.738 2.273 3.675 0.005 4 0 "[ . 1 . 2]" 1
163 1 12 ILE MD 1 33 SER H . . 4.230 2.230 2.071 2.383 . 0 0 "[ . 1 . 2]" 1
164 1 12 ILE MD 1 33 SER HA . . 3.340 2.195 2.018 2.325 . 0 0 "[ . 1 . 2]" 1
165 1 12 ILE MD 1 33 SER HB2 . . 4.060 2.546 2.311 3.674 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE MD 1 33 SER QB . . 3.530 2.432 2.268 2.657 . 0 0 "[ . 1 . 2]" 1
167 1 12 ILE MD 1 33 SER HB3 . . 4.060 3.398 2.480 3.648 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE HG12 1 12 ILE MG . . 3.260 3.159 3.150 3.169 . 0 0 "[ . 1 . 2]" 1
169 1 12 ILE HG12 1 13 LYS H . . 3.870 2.036 1.952 2.110 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE HG12 1 13 LYS HB2 . . 4.740 3.617 3.473 3.760 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE HG12 1 13 LYS HB3 . . 5.360 5.017 4.942 5.115 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE HG12 1 13 LYS QG . . 4.980 2.862 2.586 3.122 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE HG12 1 31 GLU HB2 . . 4.490 3.819 3.681 4.087 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE HG12 1 31 GLU HB3 . . 4.010 2.116 1.982 2.372 . 0 0 "[ . 1 . 2]" 1
175 1 12 ILE HG12 1 31 GLU QG . . 4.440 2.718 2.428 3.387 . 0 0 "[ . 1 . 2]" 1
176 1 12 ILE HG12 1 33 SER H . . 4.790 4.604 4.438 4.766 . 0 0 "[ . 1 . 2]" 1
177 1 12 ILE HG12 1 33 SER HA . . 5.230 4.989 4.869 5.100 . 0 0 "[ . 1 . 2]" 1
178 1 12 ILE HG12 1 33 SER QB . . 5.330 5.110 4.926 5.334 0.004 6 0 "[ . 1 . 2]" 1
179 1 12 ILE HG13 1 13 LYS H . . 3.680 3.646 3.558 3.709 0.029 4 0 "[ . 1 . 2]" 1
180 1 12 ILE HG13 1 13 LYS HB2 . . 5.070 4.790 4.657 4.927 . 0 0 "[ . 1 . 2]" 1
181 1 12 ILE HG13 1 13 LYS QD . . 5.150 4.667 4.507 4.839 . 0 0 "[ . 1 . 2]" 1
182 1 12 ILE HG13 1 13 LYS QG . . 4.320 3.182 2.956 3.497 . 0 0 "[ . 1 . 2]" 1
183 1 12 ILE HG13 1 31 GLU HB3 . . 4.470 3.269 2.865 3.448 . 0 0 "[ . 1 . 2]" 1
184 1 12 ILE HG13 1 31 GLU QG . . 4.080 2.664 2.430 2.958 . 0 0 "[ . 1 . 2]" 1
185 1 12 ILE HG13 1 32 LEU HA . . 5.180 4.955 4.785 5.178 . 0 0 "[ . 1 . 2]" 1
186 1 12 ILE HG13 1 33 SER HA . . 4.520 4.324 4.171 4.516 . 0 0 "[ . 1 . 2]" 1
187 1 12 ILE MG 1 13 LYS H . . 4.310 4.171 4.142 4.193 . 0 0 "[ . 1 . 2]" 1
188 1 12 ILE MG 1 13 LYS HA . . 5.500 5.365 5.350 5.377 . 0 0 "[ . 1 . 2]" 1
189 1 12 ILE MG 1 31 GLU QG . . 4.800 4.522 4.277 4.871 0.071 4 0 "[ . 1 . 2]" 1
190 1 12 ILE MG 1 32 LEU HA . . 4.910 4.807 4.655 4.917 0.007 7 0 "[ . 1 . 2]" 1
191 1 12 ILE MG 1 33 SER H . . 4.400 4.055 3.805 4.207 . 0 0 "[ . 1 . 2]" 1
192 1 12 ILE MG 1 33 SER HA . . 4.000 3.849 3.568 3.999 . 0 0 "[ . 1 . 2]" 1
193 1 12 ILE MG 1 33 SER QB . . 3.300 3.038 2.699 3.310 0.010 6 0 "[ . 1 . 2]" 1
194 1 13 LYS H 1 13 LYS HB2 . . 3.620 2.503 2.436 2.598 . 0 0 "[ . 1 . 2]" 1
195 1 13 LYS H 1 13 LYS HB3 . . 4.050 3.689 3.654 3.719 . 0 0 "[ . 1 . 2]" 1
196 1 13 LYS H 1 13 LYS QG . . 4.430 2.811 2.611 3.025 . 0 0 "[ . 1 . 2]" 1
197 1 13 LYS H 1 14 PRO HD2 . . 4.810 4.548 4.478 4.674 . 0 0 "[ . 1 . 2]" 1
198 1 13 LYS H 1 14 PRO HD3 . . 4.650 4.096 3.976 4.327 . 0 0 "[ . 1 . 2]" 1
199 1 13 LYS H 1 30 CYS HA . . 5.500 5.320 5.197 5.435 . 0 0 "[ . 1 . 2]" 1
200 1 13 LYS H 1 30 CYS QB . . 5.190 4.843 4.630 5.024 . 0 0 "[ . 1 . 2]" 1
201 1 13 LYS H 1 31 GLU H . . 3.460 3.332 3.216 3.462 0.002 16 0 "[ . 1 . 2]" 1
202 1 13 LYS H 1 31 GLU HA . . 5.080 4.826 4.697 5.019 . 0 0 "[ . 1 . 2]" 1
203 1 13 LYS H 1 31 GLU HB2 . . 4.540 3.714 3.562 3.995 . 0 0 "[ . 1 . 2]" 1
204 1 13 LYS H 1 31 GLU HB3 . . 3.310 2.244 2.060 2.614 . 0 0 "[ . 1 . 2]" 1
205 1 13 LYS H 1 31 GLU QG . . 4.780 3.913 3.686 4.537 . 0 0 "[ . 1 . 2]" 1
206 1 13 LYS H 1 32 LEU HA . . 4.910 4.728 4.475 4.859 . 0 0 "[ . 1 . 2]" 1
207 1 13 LYS HA 1 13 LYS QD . . 4.290 3.975 3.875 4.134 . 0 0 "[ . 1 . 2]" 1
208 1 13 LYS HA 1 13 LYS HG2 . . 3.800 2.445 2.311 2.513 . 0 0 "[ . 1 . 2]" 1
209 1 13 LYS HA 1 13 LYS HG3 . . 3.800 3.178 3.078 3.346 . 0 0 "[ . 1 . 2]" 1
210 1 13 LYS HA 1 14 PRO HD2 . . 2.990 1.918 1.913 1.929 . 0 0 "[ . 1 . 2]" 1
211 1 13 LYS HA 1 14 PRO HD3 . . 3.050 2.539 2.402 2.607 . 0 0 "[ . 1 . 2]" 1
212 1 13 LYS HA 1 14 PRO HG2 . . 4.560 4.117 4.114 4.135 . 0 0 "[ . 1 . 2]" 1
213 1 13 LYS HA 1 14 PRO HG3 . . 4.560 4.404 4.337 4.442 . 0 0 "[ . 1 . 2]" 1
214 1 13 LYS HA 1 31 GLU HB2 . . 5.370 5.027 4.807 5.346 . 0 0 "[ . 1 . 2]" 1
215 1 13 LYS HB2 1 14 PRO HD2 . . 4.690 4.680 4.536 4.722 0.032 3 0 "[ . 1 . 2]" 1
216 1 13 LYS HB2 1 14 PRO HD3 . . 5.340 5.118 5.094 5.139 . 0 0 "[ . 1 . 2]" 1
217 1 13 LYS HB2 1 30 CYS HA . . 4.450 3.731 3.499 3.975 . 0 0 "[ . 1 . 2]" 1
218 1 13 LYS HB2 1 31 GLU H . . 3.700 2.828 2.529 3.069 . 0 0 "[ . 1 . 2]" 1
219 1 13 LYS HB2 1 31 GLU QG . . 4.840 3.752 3.530 3.958 . 0 0 "[ . 1 . 2]" 1
220 1 13 LYS HB3 1 14 PRO HD2 . . 4.840 3.751 3.435 3.855 . 0 0 "[ . 1 . 2]" 1
221 1 13 LYS HB3 1 30 CYS HA . . 4.480 4.128 3.984 4.302 . 0 0 "[ . 1 . 2]" 1
222 1 13 LYS HB3 1 31 GLU H . . 4.250 4.180 3.986 4.256 0.006 4 0 "[ . 1 . 2]" 1
223 1 13 LYS HB3 1 31 GLU QG . . 5.500 5.068 4.784 5.393 . 0 0 "[ . 1 . 2]" 1
224 1 13 LYS QD 1 14 PRO HD2 . . 5.290 5.315 5.299 5.352 0.062 16 0 "[ . 1 . 2]" 1
225 1 13 LYS QD 1 30 CYS HA . . 5.270 4.830 4.707 4.997 . 0 0 "[ . 1 . 2]" 1
226 1 13 LYS QD 1 31 GLU H . . 5.020 4.645 4.375 4.965 . 0 0 "[ . 1 . 2]" 1
227 1 13 LYS QE 1 13 LYS HG2 . . 3.660 2.417 2.046 2.762 . 0 0 "[ . 1 . 2]" 1
228 1 13 LYS QE 1 13 LYS QG . . 3.150 2.210 2.024 2.488 . 0 0 "[ . 1 . 2]" 1
229 1 13 LYS QE 1 13 LYS HG3 . . 3.660 2.743 2.379 3.482 . 0 0 "[ . 1 . 2]" 1
230 1 13 LYS QG 1 14 PRO HD2 . . 4.150 3.845 3.615 4.069 . 0 0 "[ . 1 . 2]" 1
231 1 13 LYS QG 1 14 PRO HD3 . . 4.750 4.549 4.434 4.631 . 0 0 "[ . 1 . 2]" 1
232 1 13 LYS QG 1 31 GLU H . . 5.340 4.602 4.192 4.875 . 0 0 "[ . 1 . 2]" 1
233 1 13 LYS QG 1 31 GLU HA . . 5.340 5.079 4.575 5.343 0.003 4 0 "[ . 1 . 2]" 1
234 1 13 LYS QG 1 31 GLU HB3 . . 3.500 2.450 1.988 2.771 . 0 0 "[ . 1 . 2]" 1
235 1 14 PRO HA 1 15 LEU H . . 2.980 2.301 2.279 2.375 . 0 0 "[ . 1 . 2]" 1
236 1 14 PRO HA 1 15 LEU HG . . 4.000 3.658 3.523 3.980 . 0 0 "[ . 1 . 2]" 1
237 1 14 PRO HA 1 30 CYS QB . . 4.290 3.984 3.585 4.263 . 0 0 "[ . 1 . 2]" 1
238 1 14 PRO HA 1 87 SER HB2 . . 4.140 2.928 2.447 3.424 . 0 0 "[ . 1 . 2]" 1
239 1 14 PRO HA 1 87 SER HB3 . . 4.590 3.829 3.362 4.138 . 0 0 "[ . 1 . 2]" 1
240 1 14 PRO HA 1 87 SER HG . . 4.500 3.145 2.151 3.738 . 0 0 "[ . 1 . 2]" 1
241 1 14 PRO HB2 1 15 LEU H . . 3.530 2.886 2.681 2.953 . 0 0 "[ . 1 . 2]" 1
242 1 14 PRO HB2 1 15 LEU HA . . 5.070 4.744 4.653 4.793 . 0 0 "[ . 1 . 2]" 1
243 1 14 PRO HB2 1 15 LEU HB2 . . 4.790 4.683 4.504 4.772 . 0 0 "[ . 1 . 2]" 1
244 1 14 PRO HB2 1 87 SER HB2 . . 4.850 4.241 3.680 4.594 . 0 0 "[ . 1 . 2]" 1
245 1 14 PRO HB2 1 87 SER HG . . 4.260 3.124 2.327 3.910 . 0 0 "[ . 1 . 2]" 1
246 1 14 PRO HB2 1 89 ALA MB . . 5.500 5.267 4.868 5.505 0.005 7 0 "[ . 1 . 2]" 1
247 1 14 PRO HB3 1 15 LEU H . . 3.690 3.601 3.489 3.638 . 0 0 "[ . 1 . 2]" 1
248 1 14 PRO HB3 1 87 SER HB2 . . 4.630 3.355 2.928 3.701 . 0 0 "[ . 1 . 2]" 1
249 1 14 PRO HB3 1 87 SER HG . . 4.400 3.349 2.083 4.308 . 0 0 "[ . 1 . 2]" 1
250 1 14 PRO QG 1 15 LEU H . . 4.370 4.340 4.212 4.380 0.010 5 0 "[ . 1 . 2]" 1
251 1 15 LEU H 1 15 LEU HB2 . . 3.390 2.612 2.435 2.691 . 0 0 "[ . 1 . 2]" 1
252 1 15 LEU H 1 15 LEU HB3 . . 3.810 3.584 3.575 3.593 . 0 0 "[ . 1 . 2]" 1
253 1 15 LEU H 1 15 LEU MD1 . . 3.900 3.269 3.091 3.523 . 0 0 "[ . 1 . 2]" 1
254 1 15 LEU H 1 15 LEU MD2 . . 3.930 3.430 3.197 3.573 . 0 0 "[ . 1 . 2]" 1
255 1 15 LEU H 1 15 LEU HG . . 3.500 2.033 1.897 2.324 . 0 0 "[ . 1 . 2]" 1
256 1 15 LEU H 1 30 CYS QB . . 4.600 4.277 3.887 4.479 . 0 0 "[ . 1 . 2]" 1
257 1 15 LEU H 1 87 SER HB2 . . 4.150 3.547 2.991 4.128 . 0 0 "[ . 1 . 2]" 1
258 1 15 LEU H 1 87 SER HB3 . . 4.090 3.423 2.889 4.079 . 0 0 "[ . 1 . 2]" 1
259 1 15 LEU H 1 87 SER HG . . 3.650 2.223 1.898 2.695 . 0 0 "[ . 1 . 2]" 1
260 1 15 LEU HA 1 15 LEU MD1 . . 4.430 3.960 3.886 3.995 . 0 0 "[ . 1 . 2]" 1
261 1 15 LEU HA 1 15 LEU MD2 . . 2.940 2.397 2.195 2.604 . 0 0 "[ . 1 . 2]" 1
262 1 15 LEU HA 1 15 LEU HG . . 3.980 3.034 2.941 3.136 . 0 0 "[ . 1 . 2]" 1
263 1 15 LEU HA 1 16 GLU H . . 2.660 2.551 2.349 2.637 . 0 0 "[ . 1 . 2]" 1
264 1 15 LEU HA 1 16 GLU HB2 . . 4.690 4.452 4.192 4.554 . 0 0 "[ . 1 . 2]" 1
265 1 15 LEU HA 1 16 GLU QG . . 4.480 3.632 3.242 4.425 . 0 0 "[ . 1 . 2]" 1
266 1 15 LEU HA 1 29 ARG H . . 5.480 5.396 5.114 5.496 0.016 4 0 "[ . 1 . 2]" 1
267 1 15 LEU HA 1 30 CYS QB . . 4.670 4.282 3.961 4.531 . 0 0 "[ . 1 . 2]" 1
268 1 15 LEU HA 1 89 ALA MB . . 4.600 4.266 4.053 4.488 . 0 0 "[ . 1 . 2]" 1
269 1 15 LEU HB2 1 15 LEU MD1 . . 3.100 2.156 2.002 2.323 . 0 0 "[ . 1 . 2]" 1
270 1 15 LEU HB2 1 16 GLU H . . 3.750 3.189 2.937 3.662 . 0 0 "[ . 1 . 2]" 1
271 1 15 LEU HB3 1 15 LEU MD1 . . 3.420 2.561 2.395 2.655 . 0 0 "[ . 1 . 2]" 1
272 1 15 LEU HB3 1 15 LEU MD2 . . 3.040 2.168 2.078 2.294 . 0 0 "[ . 1 . 2]" 1
273 1 15 LEU HB3 1 16 GLU H . . 3.400 2.188 1.999 2.551 . 0 0 "[ . 1 . 2]" 1
274 1 15 LEU HB3 1 16 GLU HB2 . . 5.500 4.953 4.719 5.097 . 0 0 "[ . 1 . 2]" 1
275 1 15 LEU HB3 1 28 LEU HB3 . . 3.870 3.352 3.074 3.797 . 0 0 "[ . 1 . 2]" 1
276 1 15 LEU MD1 1 16 GLU H . . 4.620 4.349 4.152 4.617 . 0 0 "[ . 1 . 2]" 1
277 1 15 LEU MD1 1 28 LEU MD1 . . 4.110 3.158 2.847 3.564 . 0 0 "[ . 1 . 2]" 1
278 1 15 LEU MD1 1 41 TRP HE3 . . 4.860 3.854 3.409 4.384 . 0 0 "[ . 1 . 2]" 1
279 1 15 LEU MD1 1 41 TRP HH2 . . 4.290 3.398 2.884 4.074 . 0 0 "[ . 1 . 2]" 1
280 1 15 LEU MD1 1 41 TRP HZ3 . . 3.670 2.382 1.973 3.109 . 0 0 "[ . 1 . 2]" 1
281 1 15 LEU MD1 1 78 TYR HB2 . . 4.680 3.058 2.851 3.406 . 0 0 "[ . 1 . 2]" 1
282 1 15 LEU MD1 1 78 TYR HB3 . . 4.960 3.170 2.928 3.550 . 0 0 "[ . 1 . 2]" 1
283 1 15 LEU MD1 1 79 THR HA . . 4.080 3.888 3.618 4.085 0.005 6 0 "[ . 1 . 2]" 1
284 1 15 LEU MD1 1 80 CYS H . . 3.520 3.025 2.484 3.350 . 0 0 "[ . 1 . 2]" 1
285 1 15 LEU MD1 1 80 CYS HA . . 4.850 4.217 3.759 4.484 . 0 0 "[ . 1 . 2]" 1
286 1 15 LEU MD1 1 80 CYS HB2 . . 4.120 2.380 1.853 2.838 . 0 0 "[ . 1 . 2]" 1
287 1 15 LEU MD1 1 80 CYS QB . . 3.510 2.343 1.840 2.789 . 0 0 "[ . 1 . 2]" 1
288 1 15 LEU MD1 1 80 CYS HB3 . . 4.120 3.564 2.734 4.108 . 0 0 "[ . 1 . 2]" 1
289 1 15 LEU MD1 1 87 SER HB3 . . 4.250 3.009 2.435 3.646 . 0 0 "[ . 1 . 2]" 1
290 1 15 LEU MD1 1 88 THR H . . 4.640 4.223 3.636 4.641 0.001 3 0 "[ . 1 . 2]" 1
291 1 15 LEU MD1 1 88 THR HA . . 3.840 3.695 3.412 3.843 0.003 11 0 "[ . 1 . 2]" 1
292 1 15 LEU MD1 1 89 ALA H . . 3.970 3.704 3.465 3.972 0.002 1 0 "[ . 1 . 2]" 1
293 1 15 LEU MD1 1 89 ALA MB . . 3.630 2.429 2.016 2.749 . 0 0 "[ . 1 . 2]" 1
294 1 15 LEU MD2 1 16 GLU H . . 3.750 3.480 3.030 3.671 . 0 0 "[ . 1 . 2]" 1
295 1 15 LEU MD2 1 28 LEU HA . . 3.990 3.446 3.170 3.675 . 0 0 "[ . 1 . 2]" 1
296 1 15 LEU MD2 1 28 LEU HB2 . . 4.130 3.022 2.753 3.319 . 0 0 "[ . 1 . 2]" 1
297 1 15 LEU MD2 1 28 LEU HB3 . . 3.150 1.998 1.771 2.260 . 0 0 "[ . 1 . 2]" 1
298 1 15 LEU MD2 1 28 LEU MD1 . . 3.880 3.428 3.086 3.687 . 0 0 "[ . 1 . 2]" 1
299 1 15 LEU MD2 1 28 LEU MD2 . . 3.410 3.058 2.483 3.413 0.003 5 0 "[ . 1 . 2]" 1
300 1 15 LEU MD2 1 28 LEU HG . . 4.970 4.561 4.199 4.783 . 0 0 "[ . 1 . 2]" 1
301 1 15 LEU MD2 1 29 ARG H . . 3.850 3.715 3.528 3.853 0.003 7 0 "[ . 1 . 2]" 1
302 1 15 LEU MD2 1 29 ARG HA . . 4.330 3.982 3.820 4.090 . 0 0 "[ . 1 . 2]" 1
303 1 15 LEU MD2 1 30 CYS H . . 4.290 4.135 3.930 4.293 0.003 4 0 "[ . 1 . 2]" 1
304 1 15 LEU MD2 1 30 CYS HA . . 4.210 3.436 3.088 3.784 . 0 0 "[ . 1 . 2]" 1
305 1 15 LEU MD2 1 30 CYS HB2 . . 3.730 3.160 2.917 3.622 . 0 0 "[ . 1 . 2]" 1
306 1 15 LEU MD2 1 30 CYS QB . . 3.080 2.123 1.965 2.333 . 0 0 "[ . 1 . 2]" 1
307 1 15 LEU MD2 1 30 CYS HB3 . . 3.730 2.160 1.990 2.381 . 0 0 "[ . 1 . 2]" 1
308 1 15 LEU MD2 1 41 TRP HH2 . . 3.140 2.413 2.066 2.980 . 0 0 "[ . 1 . 2]" 1
309 1 15 LEU MD2 1 41 TRP HZ2 . . 4.970 4.293 3.809 4.837 . 0 0 "[ . 1 . 2]" 1
310 1 15 LEU MD2 1 41 TRP HZ3 . . 3.480 2.800 2.396 3.169 . 0 0 "[ . 1 . 2]" 1
311 1 15 LEU MD2 1 78 TYR HB2 . . 5.500 4.875 4.585 5.123 . 0 0 "[ . 1 . 2]" 1
312 1 15 LEU MD2 1 78 TYR HB3 . . 5.500 4.826 4.352 5.255 . 0 0 "[ . 1 . 2]" 1
313 1 15 LEU HG 1 30 CYS QB . . 4.310 3.382 3.197 3.623 . 0 0 "[ . 1 . 2]" 1
314 1 15 LEU HG 1 41 TRP HZ3 . . 5.500 4.865 4.349 5.503 0.003 9 0 "[ . 1 . 2]" 1
315 1 15 LEU HG 1 80 CYS H . . 5.430 4.911 4.222 5.234 . 0 0 "[ . 1 . 2]" 1
316 1 15 LEU HG 1 87 SER HB2 . . 4.790 4.111 3.716 4.543 . 0 0 "[ . 1 . 2]" 1
317 1 15 LEU HG 1 87 SER HB3 . . 3.970 3.243 2.782 3.894 . 0 0 "[ . 1 . 2]" 1
318 1 16 GLU H 1 16 GLU HB2 . . 3.300 2.787 2.577 2.905 . 0 0 "[ . 1 . 2]" 1
319 1 16 GLU H 1 16 GLU HB3 . . 4.050 3.852 3.676 3.925 . 0 0 "[ . 1 . 2]" 1
320 1 16 GLU H 1 16 GLU QG . . 3.630 3.287 3.016 3.630 0.000 13 0 "[ . 1 . 2]" 1
321 1 16 GLU H 1 17 ASP H . . 4.690 4.375 4.282 4.460 . 0 0 "[ . 1 . 2]" 1
322 1 16 GLU H 1 18 GLN HE21 . . 5.100 3.702 2.946 5.086 . 0 0 "[ . 1 . 2]" 1
323 1 16 GLU H 1 18 GLN QE . . 4.310 3.181 2.230 3.793 . 0 0 "[ . 1 . 2]" 1
324 1 16 GLU H 1 18 GLN HE22 . . 5.100 4.011 2.260 4.997 . 0 0 "[ . 1 . 2]" 1
325 1 16 GLU H 1 28 LEU MD2 . . 4.380 3.378 3.189 3.913 . 0 0 "[ . 1 . 2]" 1
326 1 16 GLU H 1 89 ALA MB . . 3.790 3.250 2.802 3.542 . 0 0 "[ . 1 . 2]" 1
327 1 16 GLU HA 1 16 GLU QG . . 3.340 2.416 2.303 2.563 . 0 0 "[ . 1 . 2]" 1
328 1 16 GLU HA 1 17 ASP H . . 3.170 2.318 2.208 2.588 . 0 0 "[ . 1 . 2]" 1
329 1 16 GLU HA 1 89 ALA MB . . 4.450 3.361 3.021 3.643 . 0 0 "[ . 1 . 2]" 1
330 1 16 GLU HB2 1 17 ASP H . . 4.020 3.824 3.232 4.019 . 0 0 "[ . 1 . 2]" 1
331 1 16 GLU HB2 1 18 GLN HE21 . . 4.470 3.937 3.409 4.398 . 0 0 "[ . 1 . 2]" 1
332 1 16 GLU HB2 1 18 GLN QE . . 3.930 3.162 2.359 3.742 . 0 0 "[ . 1 . 2]" 1
333 1 16 GLU HB2 1 18 GLN HE22 . . 4.470 3.460 2.374 4.217 . 0 0 "[ . 1 . 2]" 1
334 1 16 GLU HB2 1 89 ALA MB . . 5.500 5.036 4.719 5.296 . 0 0 "[ . 1 . 2]" 1
335 1 16 GLU HB3 1 16 GLU QG . . 2.710 2.305 2.140 2.449 . 0 0 "[ . 1 . 2]" 1
336 1 16 GLU HB3 1 17 ASP H . . 3.580 2.676 2.068 2.981 . 0 0 "[ . 1 . 2]" 1
337 1 16 GLU HB3 1 17 ASP QB . . 4.870 4.357 4.020 4.883 0.013 4 0 "[ . 1 . 2]" 1
338 1 16 GLU HB3 1 89 ALA MB . . 5.500 5.135 4.859 5.407 . 0 0 "[ . 1 . 2]" 1
339 1 16 GLU QG 1 17 ASP H . . 4.030 3.920 3.682 4.030 0.000 9 0 "[ . 1 . 2]" 1
340 1 17 ASP H 1 17 ASP HB2 . . 3.610 2.695 2.351 3.573 . 0 0 "[ . 1 . 2]" 1
341 1 17 ASP H 1 17 ASP QB . . 2.950 2.531 2.321 2.841 . 0 0 "[ . 1 . 2]" 1
342 1 17 ASP H 1 17 ASP HB3 . . 3.610 3.482 2.810 3.611 0.001 16 0 "[ . 1 . 2]" 1
343 1 17 ASP H 1 18 GLN H . . 4.700 4.547 4.472 4.622 . 0 0 "[ . 1 . 2]" 1
344 1 17 ASP H 1 89 ALA MB . . 4.420 3.846 3.290 4.305 . 0 0 "[ . 1 . 2]" 1
345 1 17 ASP HA 1 18 GLN H . . 3.020 2.165 2.140 2.226 . 0 0 "[ . 1 . 2]" 1
346 1 17 ASP HA 1 89 ALA MB . . 3.550 3.211 2.826 3.499 . 0 0 "[ . 1 . 2]" 1
347 1 17 ASP HA 1 90 SER H . . 3.340 2.734 2.359 3.001 . 0 0 "[ . 1 . 2]" 1
348 1 17 ASP QB 1 18 GLN H . . 3.390 3.142 2.863 3.374 . 0 0 "[ . 1 . 2]" 1
349 1 17 ASP QB 1 19 TRP HE1 . . 5.170 4.959 4.308 5.162 . 0 0 "[ . 1 . 2]" 1
350 1 17 ASP QB 1 19 TRP HH2 . . 4.120 2.750 2.284 3.456 . 0 0 "[ . 1 . 2]" 1
351 1 17 ASP QB 1 19 TRP HZ2 . . 4.750 3.618 2.971 3.972 . 0 0 "[ . 1 . 2]" 1
352 1 17 ASP QB 1 19 TRP HZ3 . . 4.360 2.987 2.261 3.710 . 0 0 "[ . 1 . 2]" 1
353 1 17 ASP QB 1 90 SER H . . 4.200 3.848 3.094 4.151 . 0 0 "[ . 1 . 2]" 1
354 1 17 ASP QB 1 90 SER QB . . 4.690 3.715 2.936 4.332 . 0 0 "[ . 1 . 2]" 1
355 1 17 ASP QB 1 92 HIS H . . 5.340 4.882 4.397 5.131 . 0 0 "[ . 1 . 2]" 1
356 1 17 ASP QB 1 92 HIS HD2 . . 3.920 2.379 2.093 2.962 . 0 0 "[ . 1 . 2]" 1
357 1 17 ASP HB2 1 19 TRP HH2 . . 4.950 2.855 2.320 3.636 . 0 0 "[ . 1 . 2]" 1
358 1 17 ASP HB2 1 19 TRP HZ3 . . 5.080 3.075 2.326 3.835 . 0 0 "[ . 1 . 2]" 1
359 1 17 ASP HB2 1 89 ALA MB . . 5.500 5.346 4.903 5.507 0.007 5 0 "[ . 1 . 2]" 1
360 1 17 ASP HB2 1 90 SER H . . 5.060 4.826 4.386 5.063 0.003 9 0 "[ . 1 . 2]" 1
361 1 17 ASP HB2 1 92 HIS HD2 . . 4.770 3.630 2.179 4.442 . 0 0 "[ . 1 . 2]" 1
362 1 17 ASP HB3 1 19 TRP HH2 . . 4.950 3.644 2.927 4.468 . 0 0 "[ . 1 . 2]" 1
363 1 17 ASP HB3 1 19 TRP HZ3 . . 5.080 4.099 3.086 4.965 . 0 0 "[ . 1 . 2]" 1
364 1 17 ASP HB3 1 89 ALA MB . . 5.500 5.054 4.208 5.460 . 0 0 "[ . 1 . 2]" 1
365 1 17 ASP HB3 1 90 SER H . . 5.060 4.061 3.163 4.452 . 0 0 "[ . 1 . 2]" 1
366 1 17 ASP HB3 1 92 HIS HD2 . . 4.770 2.639 2.104 3.932 . 0 0 "[ . 1 . 2]" 1
367 1 18 GLN H 1 18 GLN HB2 . . 3.470 2.474 2.278 2.667 . 0 0 "[ . 1 . 2]" 1
368 1 18 GLN H 1 18 GLN HB3 . . 3.990 3.650 3.515 3.774 . 0 0 "[ . 1 . 2]" 1
369 1 18 GLN H 1 18 GLN HG2 . . 4.700 3.211 2.399 4.641 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLN H 1 18 GLN QG . . 4.020 3.041 2.373 4.001 . 0 0 "[ . 1 . 2]" 1
371 1 18 GLN H 1 18 GLN HG3 . . 4.700 4.108 3.748 4.447 . 0 0 "[ . 1 . 2]" 1
372 1 18 GLN H 1 19 TRP H . . 4.750 4.497 4.354 4.565 . 0 0 "[ . 1 . 2]" 1
373 1 18 GLN H 1 89 ALA MB . . 4.620 4.420 4.050 4.628 0.008 16 0 "[ . 1 . 2]" 1
374 1 18 GLN H 1 90 SER H . . 4.680 4.363 4.018 4.676 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLN H 1 91 LEU MD1 . . 3.870 3.377 3.068 3.629 . 0 0 "[ . 1 . 2]" 1
376 1 18 GLN H 1 92 HIS H . . 4.020 3.545 3.281 3.941 . 0 0 "[ . 1 . 2]" 1
377 1 18 GLN H 1 92 HIS HD2 . . 4.100 3.588 3.003 3.984 . 0 0 "[ . 1 . 2]" 1
378 1 18 GLN HA 1 18 GLN HG2 . . 4.040 3.217 2.949 3.637 . 0 0 "[ . 1 . 2]" 1
379 1 18 GLN HA 1 18 GLN HG3 . . 4.040 3.379 2.310 3.838 . 0 0 "[ . 1 . 2]" 1
380 1 18 GLN HA 1 19 TRP H . . 2.720 2.216 2.163 2.282 . 0 0 "[ . 1 . 2]" 1
381 1 18 GLN HA 1 19 TRP HA . . 4.690 4.406 4.383 4.432 . 0 0 "[ . 1 . 2]" 1
382 1 18 GLN HA 1 19 TRP HB2 . . 4.880 4.292 4.215 4.511 . 0 0 "[ . 1 . 2]" 1
383 1 18 GLN HA 1 19 TRP HE3 . . 3.780 3.429 3.147 3.710 . 0 0 "[ . 1 . 2]" 1
384 1 18 GLN HA 1 20 VAL MG1 . . 4.600 4.500 4.383 4.608 0.008 4 0 "[ . 1 . 2]" 1
385 1 18 GLN HA 1 91 LEU MD1 . . 4.510 4.342 4.135 4.513 0.003 5 0 "[ . 1 . 2]" 1
386 1 18 GLN HB2 1 19 TRP H . . 4.350 4.068 3.801 4.352 0.002 16 0 "[ . 1 . 2]" 1
387 1 18 GLN HB2 1 20 VAL MG1 . . 4.700 4.001 3.599 4.417 . 0 0 "[ . 1 . 2]" 1
388 1 18 GLN HB2 1 20 VAL MG2 . . 5.400 4.606 4.250 5.175 . 0 0 "[ . 1 . 2]" 1
389 1 18 GLN HB2 1 26 VAL MG2 . . 4.970 3.734 3.331 4.240 . 0 0 "[ . 1 . 2]" 1
390 1 18 GLN HB2 1 91 LEU MD1 . . 3.680 2.203 1.981 2.559 . 0 0 "[ . 1 . 2]" 1
391 1 18 GLN HB2 1 92 HIS H . . 5.040 3.630 3.275 4.265 . 0 0 "[ . 1 . 2]" 1
392 1 18 GLN HB3 1 19 TRP H . . 3.480 2.997 2.736 3.293 . 0 0 "[ . 1 . 2]" 1
393 1 18 GLN HB3 1 20 VAL MG1 . . 3.470 2.902 2.706 3.064 . 0 0 "[ . 1 . 2]" 1
394 1 18 GLN HB3 1 26 VAL MG1 . . 4.070 3.017 2.665 3.351 . 0 0 "[ . 1 . 2]" 1
395 1 18 GLN HB3 1 26 VAL MG2 . . 3.700 3.375 2.992 3.595 . 0 0 "[ . 1 . 2]" 1
396 1 18 GLN HB3 1 28 LEU MD2 . . 4.110 4.002 3.854 4.110 . 0 0 "[ . 1 . 2]" 1
397 1 18 GLN HB3 1 91 LEU MD1 . . 3.530 2.973 2.546 3.305 . 0 0 "[ . 1 . 2]" 1
398 1 18 GLN QE 1 26 VAL MG1 . . 4.820 4.117 3.802 4.352 . 0 0 "[ . 1 . 2]" 1
399 1 18 GLN QE 1 28 LEU HA . . 3.980 3.225 2.557 3.759 . 0 0 "[ . 1 . 2]" 1
400 1 18 GLN QE 1 28 LEU MD2 . . 3.440 2.237 1.759 2.879 . 0 0 "[ . 1 . 2]" 1
401 1 18 GLN QE 1 29 ARG H . . 4.900 4.251 3.829 4.681 . 0 0 "[ . 1 . 2]" 1
402 1 18 GLN HE21 1 28 LEU HA . . 4.550 3.395 2.598 4.349 . 0 0 "[ . 1 . 2]" 1
403 1 18 GLN HE21 1 28 LEU MD2 . . 3.970 2.360 1.773 3.614 . 0 0 "[ . 1 . 2]" 1
404 1 18 GLN HE22 1 28 LEU HA . . 4.550 4.200 3.658 4.550 . 0 0 "[ . 1 . 2]" 1
405 1 18 GLN HE22 1 28 LEU MD2 . . 3.970 3.433 2.574 3.929 . 0 0 "[ . 1 . 2]" 1
406 1 18 GLN QG 1 20 VAL MG1 . . 4.460 4.148 3.584 4.450 . 0 0 "[ . 1 . 2]" 1
407 1 18 GLN QG 1 26 VAL MG1 . . 3.850 2.427 2.173 2.912 . 0 0 "[ . 1 . 2]" 1
408 1 18 GLN QG 1 26 VAL MG2 . . 4.710 3.925 3.517 4.112 . 0 0 "[ . 1 . 2]" 1
409 1 18 GLN HG2 1 19 TRP H . . 5.250 4.968 4.781 5.126 . 0 0 "[ . 1 . 2]" 1
410 1 18 GLN HG2 1 26 VAL MG2 . . 5.420 4.904 3.669 5.411 . 0 0 "[ . 1 . 2]" 1
411 1 18 GLN HG2 1 28 LEU MD2 . . 3.970 2.318 1.917 2.826 . 0 0 "[ . 1 . 2]" 1
412 1 18 GLN HG2 1 91 LEU MD1 . . 4.750 4.053 3.717 4.233 . 0 0 "[ . 1 . 2]" 1
413 1 18 GLN HG3 1 19 TRP H . . 5.250 4.709 3.615 5.248 . 0 0 "[ . 1 . 2]" 1
414 1 18 GLN HG3 1 26 VAL MG2 . . 5.420 4.289 3.743 4.978 . 0 0 "[ . 1 . 2]" 1
415 1 18 GLN HG3 1 28 LEU MD2 . . 3.970 2.571 1.922 3.976 0.006 4 0 "[ . 1 . 2]" 1
416 1 18 GLN HG3 1 91 LEU MD1 . . 4.750 3.967 3.539 4.712 . 0 0 "[ . 1 . 2]" 1
417 1 19 TRP H 1 19 TRP HB2 . . 3.250 2.518 2.395 2.600 . 0 0 "[ . 1 . 2]" 1
418 1 19 TRP H 1 19 TRP HD1 . . 5.400 5.330 5.188 5.396 . 0 0 "[ . 1 . 2]" 1
419 1 19 TRP H 1 19 TRP HE3 . . 3.460 3.073 2.455 3.381 . 0 0 "[ . 1 . 2]" 1
420 1 19 TRP H 1 20 VAL H . . 4.320 3.998 3.840 4.160 . 0 0 "[ . 1 . 2]" 1
421 1 19 TRP H 1 20 VAL MG1 . . 4.310 3.406 3.219 3.590 . 0 0 "[ . 1 . 2]" 1
422 1 19 TRP H 1 91 LEU MD1 . . 4.770 4.477 4.213 4.743 . 0 0 "[ . 1 . 2]" 1
423 1 19 TRP H 1 92 HIS HB2 . . 5.500 4.777 4.503 5.160 . 0 0 "[ . 1 . 2]" 1
424 1 19 TRP HA 1 19 TRP HD1 . . 4.440 3.050 2.959 3.237 . 0 0 "[ . 1 . 2]" 1
425 1 19 TRP HA 1 20 VAL H . . 2.670 2.186 2.150 2.215 . 0 0 "[ . 1 . 2]" 1
426 1 19 TRP HA 1 20 VAL MG1 . . 4.340 3.934 3.782 4.037 . 0 0 "[ . 1 . 2]" 1
427 1 19 TRP HA 1 20 VAL MG2 . . 4.450 4.013 3.934 4.093 . 0 0 "[ . 1 . 2]" 1
428 1 19 TRP HA 1 91 LEU MD1 . . 4.200 3.805 3.576 4.077 . 0 0 "[ . 1 . 2]" 1
429 1 19 TRP HA 1 92 HIS H . . 3.630 3.322 3.081 3.534 . 0 0 "[ . 1 . 2]" 1
430 1 19 TRP HA 1 92 HIS HB2 . . 3.420 2.293 2.154 2.611 . 0 0 "[ . 1 . 2]" 1
431 1 19 TRP HA 1 92 HIS HB3 . . 4.150 3.780 3.407 4.113 . 0 0 "[ . 1 . 2]" 1
432 1 19 TRP HB2 1 19 TRP HE3 . . 4.190 2.509 2.472 2.592 . 0 0 "[ . 1 . 2]" 1
433 1 19 TRP HB2 1 20 VAL H . . 4.590 4.540 4.426 4.581 . 0 0 "[ . 1 . 2]" 1
434 1 19 TRP HB2 1 92 HIS HB2 . . 5.180 4.560 4.339 4.846 . 0 0 "[ . 1 . 2]" 1
435 1 19 TRP HB3 1 19 TRP HD1 . . 3.800 2.720 2.652 2.760 . 0 0 "[ . 1 . 2]" 1
436 1 19 TRP HB3 1 20 VAL H . . 3.960 3.854 3.701 3.956 . 0 0 "[ . 1 . 2]" 1
437 1 19 TRP HB3 1 92 HIS HB2 . . 5.070 4.019 3.547 4.272 . 0 0 "[ . 1 . 2]" 1
438 1 19 TRP HD1 1 20 VAL H . . 4.940 4.608 4.388 4.912 . 0 0 "[ . 1 . 2]" 1
439 1 19 TRP HD1 1 92 HIS HB2 . . 4.000 2.548 2.064 2.837 . 0 0 "[ . 1 . 2]" 1
440 1 19 TRP HD1 1 92 HIS HB3 . . 4.470 2.796 2.437 3.121 . 0 0 "[ . 1 . 2]" 1
441 1 19 TRP HD1 1 92 HIS HD2 . . 5.210 4.242 3.456 4.704 . 0 0 "[ . 1 . 2]" 1
442 1 19 TRP HD1 1 94 GLU HB2 . . 5.500 5.073 4.228 5.467 . 0 0 "[ . 1 . 2]" 1
443 1 19 TRP HD1 1 94 GLU QG . . 5.160 4.388 3.767 5.104 . 0 0 "[ . 1 . 2]" 1
444 1 19 TRP HE1 1 92 HIS HB2 . . 4.030 3.448 3.168 3.693 . 0 0 "[ . 1 . 2]" 1
445 1 19 TRP HE1 1 92 HIS HB3 . . 4.300 3.331 2.824 3.794 . 0 0 "[ . 1 . 2]" 1
446 1 19 TRP HE1 1 92 HIS HD2 . . 4.330 3.530 2.976 4.000 . 0 0 "[ . 1 . 2]" 1
447 1 19 TRP HZ2 1 92 HIS HD2 . . 5.500 3.673 3.315 4.289 . 0 0 "[ . 1 . 2]" 1
448 1 19 TRP HZ2 1 92 HIS HE1 . . 5.500 4.622 3.972 5.194 . 0 0 "[ . 1 . 2]" 1
449 1 20 VAL H 1 20 VAL HB . . 3.930 3.842 3.804 3.897 . 0 0 "[ . 1 . 2]" 1
450 1 20 VAL H 1 20 VAL MG1 . . 3.220 2.886 2.805 3.000 . 0 0 "[ . 1 . 2]" 1
451 1 20 VAL H 1 20 VAL MG2 . . 3.000 2.226 2.119 2.345 . 0 0 "[ . 1 . 2]" 1
452 1 20 VAL H 1 21 ALA H . . 4.500 4.393 4.379 4.412 . 0 0 "[ . 1 . 2]" 1
453 1 20 VAL H 1 21 ALA MB . . 5.500 5.474 5.414 5.505 0.005 9 0 "[ . 1 . 2]" 1
454 1 20 VAL H 1 91 LEU MD1 . . 4.210 3.300 3.044 3.604 . 0 0 "[ . 1 . 2]" 1
455 1 20 VAL H 1 92 HIS HA . . 5.370 5.229 5.138 5.313 . 0 0 "[ . 1 . 2]" 1
456 1 20 VAL H 1 92 HIS HB2 . . 4.170 3.811 3.561 4.002 . 0 0 "[ . 1 . 2]" 1
457 1 20 VAL H 1 92 HIS HB3 . . 5.130 4.856 4.385 5.092 . 0 0 "[ . 1 . 2]" 1
458 1 20 VAL H 1 93 VAL MG1 . . 5.370 4.757 4.508 5.118 . 0 0 "[ . 1 . 2]" 1
459 1 20 VAL H 1 93 VAL QG . . 4.670 3.614 3.188 4.399 . 0 0 "[ . 1 . 2]" 1
460 1 20 VAL H 1 93 VAL MG2 . . 5.370 3.784 3.247 4.833 . 0 0 "[ . 1 . 2]" 1
461 1 20 VAL HA 1 20 VAL MG1 . . 3.350 2.332 2.283 2.422 . 0 0 "[ . 1 . 2]" 1
462 1 20 VAL HA 1 21 ALA H . . 3.040 2.638 2.611 2.651 . 0 0 "[ . 1 . 2]" 1
463 1 20 VAL HA 1 21 ALA MB . . 4.160 3.973 3.903 4.057 . 0 0 "[ . 1 . 2]" 1
464 1 20 VAL HB 1 21 ALA H . . 2.950 1.995 1.953 2.020 . 0 0 "[ . 1 . 2]" 1
465 1 20 VAL HB 1 21 ALA HA . . 5.080 4.600 4.559 4.648 . 0 0 "[ . 1 . 2]" 1
466 1 20 VAL HB 1 21 ALA MB . . 4.530 3.973 3.903 4.043 . 0 0 "[ . 1 . 2]" 1
467 1 20 VAL HB 1 26 VAL MG2 . . 3.720 3.520 3.121 3.721 0.001 16 0 "[ . 1 . 2]" 1
468 1 20 VAL HB 1 70 ALA MB . . 5.090 4.470 4.139 4.677 . 0 0 "[ . 1 . 2]" 1
469 1 20 VAL MG1 1 21 ALA H . . 3.640 3.617 3.574 3.651 0.011 18 0 "[ . 1 . 2]" 1
470 1 20 VAL MG1 1 24 GLU H . . 5.500 5.469 5.383 5.503 0.003 7 0 "[ . 1 . 2]" 1
471 1 20 VAL MG1 1 24 GLU QB . . 3.950 3.328 3.163 3.428 . 0 0 "[ . 1 . 2]" 1
472 1 20 VAL MG1 1 24 GLU HG3 . . 5.130 4.750 4.266 4.957 . 0 0 "[ . 1 . 2]" 1
473 1 20 VAL MG1 1 25 ASP H . . 5.450 4.817 4.555 5.164 . 0 0 "[ . 1 . 2]" 1
474 1 20 VAL MG1 1 26 VAL HA . . 4.210 3.231 2.921 3.515 . 0 0 "[ . 1 . 2]" 1
475 1 20 VAL MG1 1 26 VAL HB . . 4.780 4.578 4.216 4.751 . 0 0 "[ . 1 . 2]" 1
476 1 20 VAL MG2 1 21 ALA H . . 3.350 2.801 2.649 2.954 . 0 0 "[ . 1 . 2]" 1
477 1 20 VAL MG2 1 21 ALA HA . . 4.580 3.763 3.623 3.908 . 0 0 "[ . 1 . 2]" 1
478 1 20 VAL MG2 1 21 ALA MB . . 4.370 4.105 3.980 4.199 . 0 0 "[ . 1 . 2]" 1
479 1 20 VAL MG2 1 22 PRO HA . . 4.930 4.408 4.296 4.539 . 0 0 "[ . 1 . 2]" 1
480 1 20 VAL MG2 1 24 GLU H . . 4.120 3.872 3.640 4.122 0.002 6 0 "[ . 1 . 2]" 1
481 1 20 VAL MG2 1 24 GLU QB . . 3.360 3.016 2.817 3.238 . 0 0 "[ . 1 . 2]" 1
482 1 20 VAL MG2 1 24 GLU HG2 . . 5.500 5.168 4.740 5.434 . 0 0 "[ . 1 . 2]" 1
483 1 20 VAL MG2 1 24 GLU HG3 . . 4.470 4.135 3.827 4.408 . 0 0 "[ . 1 . 2]" 1
484 1 20 VAL MG2 1 26 VAL HB . . 5.190 4.250 4.036 4.387 . 0 0 "[ . 1 . 2]" 1
485 1 20 VAL MG2 1 70 ALA H . . 4.910 4.510 4.336 4.718 . 0 0 "[ . 1 . 2]" 1
486 1 20 VAL MG2 1 70 ALA MB . . 3.130 2.554 2.360 2.725 . 0 0 "[ . 1 . 2]" 1
487 1 20 VAL MG2 1 75 ALA MB . . 5.310 5.006 4.703 5.214 . 0 0 "[ . 1 . 2]" 1
488 1 20 VAL MG2 1 91 LEU MD2 . . 3.890 3.597 3.293 3.847 . 0 0 "[ . 1 . 2]" 1
489 1 20 VAL MG2 1 92 HIS HA . . 5.500 5.431 5.263 5.502 0.002 14 0 "[ . 1 . 2]" 1
490 1 20 VAL MG2 1 93 VAL HB . . 5.210 4.052 2.496 4.699 . 0 0 "[ . 1 . 2]" 1
491 1 20 VAL MG2 1 93 VAL MG1 . . 4.090 3.264 2.794 4.033 . 0 0 "[ . 1 . 2]" 1
492 1 20 VAL MG2 1 93 VAL QG . . 3.510 2.324 1.898 3.289 . 0 0 "[ . 1 . 2]" 1
493 1 20 VAL MG2 1 93 VAL MG2 . . 4.090 2.392 1.916 3.486 . 0 0 "[ . 1 . 2]" 1
494 1 20 VAL MG2 1 94 GLU H . . 4.500 4.318 4.167 4.453 . 0 0 "[ . 1 . 2]" 1
495 1 21 ALA H 1 21 ALA MB . . 2.770 2.269 2.225 2.334 . 0 0 "[ . 1 . 2]" 1
496 1 21 ALA H 1 22 PRO QD . . 4.680 4.364 4.353 4.373 . 0 0 "[ . 1 . 2]" 1
497 1 21 ALA H 1 24 GLU H . . 4.490 3.972 3.851 4.068 . 0 0 "[ . 1 . 2]" 1
498 1 21 ALA H 1 24 GLU QB . . 3.940 2.840 2.675 3.065 . 0 0 "[ . 1 . 2]" 1
499 1 21 ALA H 1 24 GLU HG2 . . 4.750 3.961 3.414 4.330 . 0 0 "[ . 1 . 2]" 1
500 1 21 ALA H 1 24 GLU HG3 . . 4.110 2.453 2.099 2.735 . 0 0 "[ . 1 . 2]" 1
501 1 21 ALA HA 1 22 PRO QD . . 2.750 2.177 2.138 2.216 . 0 0 "[ . 1 . 2]" 1
502 1 21 ALA HA 1 22 PRO HG2 . . 4.690 4.631 4.579 4.680 . 0 0 "[ . 1 . 2]" 1
503 1 21 ALA HA 1 22 PRO HG3 . . 4.820 4.565 4.523 4.607 . 0 0 "[ . 1 . 2]" 1
504 1 21 ALA HA 1 93 VAL QG . . 3.880 2.801 2.553 3.012 . 0 0 "[ . 1 . 2]" 1
505 1 21 ALA HA 1 94 GLU H . . 3.440 2.651 2.501 2.834 . 0 0 "[ . 1 . 2]" 1
506 1 21 ALA HA 1 94 GLU HB2 . . 4.830 4.659 4.415 4.831 0.001 6 0 "[ . 1 . 2]" 1
507 1 21 ALA HA 1 95 GLU H . . 5.450 5.141 4.574 5.443 . 0 0 "[ . 1 . 2]" 1
508 1 21 ALA HA 1 95 GLU HA . . 4.270 3.982 3.352 4.268 . 0 0 "[ . 1 . 2]" 1
509 1 21 ALA MB 1 22 PRO HA . . 4.890 4.346 4.327 4.372 . 0 0 "[ . 1 . 2]" 1
510 1 21 ALA MB 1 22 PRO QB . . 5.190 4.383 4.341 4.428 . 0 0 "[ . 1 . 2]" 1
511 1 21 ALA MB 1 22 PRO QD . . 2.870 1.971 1.917 2.050 . 0 0 "[ . 1 . 2]" 1
512 1 21 ALA MB 1 22 PRO HG3 . . 4.450 4.277 4.211 4.330 . 0 0 "[ . 1 . 2]" 1
513 1 21 ALA MB 1 24 GLU H . . 4.370 3.780 3.667 3.880 . 0 0 "[ . 1 . 2]" 1
514 1 21 ALA MB 1 24 GLU QB . . 3.820 3.776 3.656 3.825 0.005 8 0 "[ . 1 . 2]" 1
515 1 21 ALA MB 1 24 GLU HG2 . . 3.590 3.261 2.802 3.586 . 0 0 "[ . 1 . 2]" 1
516 1 21 ALA MB 1 24 GLU HG3 . . 3.420 2.419 2.204 2.872 . 0 0 "[ . 1 . 2]" 1
517 1 21 ALA MB 1 93 VAL QG . . 4.320 3.818 3.609 3.988 . 0 0 "[ . 1 . 2]" 1
518 1 21 ALA MB 1 94 GLU H . . 4.220 4.096 3.974 4.218 . 0 0 "[ . 1 . 2]" 1
519 1 21 ALA MB 1 94 GLU HB2 . . 5.450 5.170 4.827 5.392 . 0 0 "[ . 1 . 2]" 1
520 1 21 ALA MB 1 95 GLU HA . . 3.820 3.280 2.357 3.774 . 0 0 "[ . 1 . 2]" 1
521 1 22 PRO HA 1 23 GLY H . . 2.790 2.331 2.292 2.364 . 0 0 "[ . 1 . 2]" 1
522 1 22 PRO HA 1 23 GLY QA . . 4.310 3.914 3.907 3.921 . 0 0 "[ . 1 . 2]" 1
523 1 22 PRO HA 1 24 GLU H . . 3.910 3.897 3.831 3.921 0.011 4 0 "[ . 1 . 2]" 1
524 1 22 PRO HA 1 70 ALA MB . . 4.390 4.174 3.955 4.385 . 0 0 "[ . 1 . 2]" 1
525 1 22 PRO HA 1 71 SER HA . . 3.990 2.441 2.000 2.913 . 0 0 "[ . 1 . 2]" 1
526 1 22 PRO HA 1 93 VAL MG1 . . 4.740 2.745 1.949 4.719 . 0 0 "[ . 1 . 2]" 1
527 1 22 PRO HA 1 93 VAL QG . . 3.250 2.206 1.943 2.591 . 0 0 "[ . 1 . 2]" 1
528 1 22 PRO HA 1 93 VAL MG2 . . 4.740 3.475 2.289 4.140 . 0 0 "[ . 1 . 2]" 1
529 1 22 PRO QB 1 23 GLY H . . 3.910 3.842 3.803 3.872 . 0 0 "[ . 1 . 2]" 1
530 1 22 PRO QB 1 71 SER HA . . 3.710 2.913 2.673 3.287 . 0 0 "[ . 1 . 2]" 1
531 1 22 PRO QB 1 93 VAL QG . . 3.860 2.410 2.195 2.689 . 0 0 "[ . 1 . 2]" 1
532 1 22 PRO HB2 1 23 GLY H . . 4.540 4.179 4.132 4.214 . 0 0 "[ . 1 . 2]" 1
533 1 22 PRO HB3 1 23 GLY H . . 4.540 4.484 4.445 4.514 . 0 0 "[ . 1 . 2]" 1
534 1 22 PRO QD 1 72 LEU MD2 . . 4.490 3.069 2.733 3.376 . 0 0 "[ . 1 . 2]" 1
535 1 22 PRO QD 1 93 VAL QG . . 3.280 2.366 2.077 2.574 . 0 0 "[ . 1 . 2]" 1
536 1 22 PRO QD 1 94 GLU H . . 3.720 3.034 2.692 3.528 . 0 0 "[ . 1 . 2]" 1
537 1 22 PRO QD 1 94 GLU HA . . 4.510 3.437 3.014 3.756 . 0 0 "[ . 1 . 2]" 1
538 1 22 PRO QD 1 95 GLU H . . 4.410 3.284 2.888 3.502 . 0 0 "[ . 1 . 2]" 1
539 1 22 PRO QD 1 95 GLU HA . . 3.380 2.078 1.952 2.246 . 0 0 "[ . 1 . 2]" 1
540 1 22 PRO QD 1 95 GLU HG2 . . 4.810 4.003 2.701 4.792 . 0 0 "[ . 1 . 2]" 1
541 1 22 PRO QD 1 95 GLU QG . . 4.160 3.102 2.309 3.607 . 0 0 "[ . 1 . 2]" 1
542 1 22 PRO QD 1 95 GLU HG3 . . 4.810 3.452 2.328 4.542 . 0 0 "[ . 1 . 2]" 1
543 1 22 PRO QD 1 96 LYS H . . 4.550 3.646 3.222 3.955 . 0 0 "[ . 1 . 2]" 1
544 1 22 PRO HG2 1 72 LEU MD2 . . 4.730 4.271 3.729 4.708 . 0 0 "[ . 1 . 2]" 1
545 1 22 PRO HG2 1 95 GLU HA . . 4.420 2.994 2.685 3.636 . 0 0 "[ . 1 . 2]" 1
546 1 22 PRO HG2 1 95 GLU QG . . 4.550 2.282 1.986 2.659 . 0 0 "[ . 1 . 2]" 1
547 1 22 PRO HG3 1 72 LEU MD2 . . 4.020 2.766 2.217 3.262 . 0 0 "[ . 1 . 2]" 1
548 1 22 PRO HG3 1 93 VAL QG . . 3.830 3.548 3.273 3.756 . 0 0 "[ . 1 . 2]" 1
549 1 22 PRO HG3 1 95 GLU HA . . 4.120 2.619 2.011 3.500 . 0 0 "[ . 1 . 2]" 1
550 1 22 PRO HG3 1 95 GLU QB . . 3.700 2.156 1.990 2.620 . 0 0 "[ . 1 . 2]" 1
551 1 22 PRO HG3 1 95 GLU QG . . 3.810 2.585 2.189 3.087 . 0 0 "[ . 1 . 2]" 1
552 1 23 GLY H 1 24 GLU H . . 3.070 1.883 1.800 2.047 . 0 0 "[ . 1 . 2]" 1
553 1 23 GLY H 1 70 ALA H . . 3.760 3.376 3.162 3.491 . 0 0 "[ . 1 . 2]" 1
554 1 23 GLY H 1 70 ALA MB . . 3.740 3.592 3.420 3.745 0.005 4 0 "[ . 1 . 2]" 1
555 1 23 GLY H 1 71 SER HA . . 4.600 3.680 3.301 4.033 . 0 0 "[ . 1 . 2]" 1
556 1 23 GLY H 1 93 VAL QG . . 4.310 3.635 3.335 4.116 . 0 0 "[ . 1 . 2]" 1
557 1 23 GLY QA 1 24 GLU HA . . 5.150 4.024 4.018 4.031 . 0 0 "[ . 1 . 2]" 1
558 1 23 GLY QA 1 70 ALA H . . 4.750 3.827 3.641 4.001 . 0 0 "[ . 1 . 2]" 1
559 1 23 GLY QA 1 70 ALA MB . . 5.290 4.809 4.655 4.957 . 0 0 "[ . 1 . 2]" 1
560 1 24 GLU H 1 24 GLU QB . . 2.840 2.554 2.373 2.709 . 0 0 "[ . 1 . 2]" 1
561 1 24 GLU H 1 24 GLU HG2 . . 3.220 2.800 2.387 3.132 . 0 0 "[ . 1 . 2]" 1
562 1 24 GLU H 1 24 GLU HG3 . . 3.600 2.785 2.208 3.594 . 0 0 "[ . 1 . 2]" 1
563 1 24 GLU H 1 25 ASP H . . 4.550 4.534 4.489 4.568 0.018 1 0 "[ . 1 . 2]" 1
564 1 24 GLU H 1 26 VAL MG2 . . 5.500 5.170 4.949 5.323 . 0 0 "[ . 1 . 2]" 1
565 1 24 GLU H 1 70 ALA H . . 3.740 3.631 3.502 3.718 . 0 0 "[ . 1 . 2]" 1
566 1 24 GLU H 1 70 ALA MB . . 4.030 3.842 3.544 3.975 . 0 0 "[ . 1 . 2]" 1
567 1 24 GLU HA 1 24 GLU HG2 . . 3.160 2.641 2.483 2.931 . 0 0 "[ . 1 . 2]" 1
568 1 24 GLU HA 1 24 GLU HG3 . . 3.870 3.639 3.478 3.829 . 0 0 "[ . 1 . 2]" 1
569 1 24 GLU HA 1 25 ASP H . . 2.780 2.515 2.409 2.610 . 0 0 "[ . 1 . 2]" 1
570 1 24 GLU HA 1 25 ASP HA . . 4.560 4.375 4.345 4.419 . 0 0 "[ . 1 . 2]" 1
571 1 24 GLU HA 1 25 ASP HB3 . . 4.670 4.549 4.403 4.630 . 0 0 "[ . 1 . 2]" 1
572 1 24 GLU HA 1 69 GLY HA2 . . 5.500 4.503 4.251 4.759 . 0 0 "[ . 1 . 2]" 1
573 1 24 GLU HA 1 70 ALA MB . . 5.500 5.165 4.855 5.397 . 0 0 "[ . 1 . 2]" 1
574 1 24 GLU QB 1 25 ASP H . . 3.350 2.228 2.048 2.378 . 0 0 "[ . 1 . 2]" 1
575 1 24 GLU QB 1 26 VAL MG2 . . 4.900 3.848 3.645 3.951 . 0 0 "[ . 1 . 2]" 1
576 1 24 GLU QB 1 70 ALA H . . 4.610 4.542 4.403 4.612 0.002 15 0 "[ . 1 . 2]" 1
577 1 24 GLU QB 1 70 ALA MB . . 4.890 3.977 3.778 4.141 . 0 0 "[ . 1 . 2]" 1
578 1 24 GLU HG2 1 25 ASP H . . 4.730 4.470 4.240 4.723 . 0 0 "[ . 1 . 2]" 1
579 1 24 GLU HG3 1 25 ASP H . . 4.980 4.869 4.638 4.968 . 0 0 "[ . 1 . 2]" 1
580 1 25 ASP H 1 25 ASP HB2 . . 3.720 3.635 3.220 3.723 0.003 4 0 "[ . 1 . 2]" 1
581 1 25 ASP H 1 25 ASP HB3 . . 3.230 2.981 2.253 3.148 . 0 0 "[ . 1 . 2]" 1
582 1 25 ASP H 1 26 VAL H . . 4.650 4.494 4.349 4.564 . 0 0 "[ . 1 . 2]" 1
583 1 25 ASP H 1 26 VAL MG2 . . 5.500 4.637 4.468 4.748 . 0 0 "[ . 1 . 2]" 1
584 1 25 ASP H 1 69 GLY H . . 5.210 5.052 4.651 5.212 0.002 20 0 "[ . 1 . 2]" 1
585 1 25 ASP HA 1 26 VAL H . . 2.730 2.217 2.139 2.422 . 0 0 "[ . 1 . 2]" 1
586 1 25 ASP HA 1 26 VAL HB . . 4.850 4.492 4.422 4.583 . 0 0 "[ . 1 . 2]" 1
587 1 25 ASP HA 1 26 VAL MG1 . . 5.490 5.443 5.432 5.469 . 0 0 "[ . 1 . 2]" 1
588 1 25 ASP HA 1 26 VAL MG2 . . 4.240 3.694 3.323 3.897 . 0 0 "[ . 1 . 2]" 1
589 1 25 ASP HA 1 66 VAL MG1 . . 4.420 4.259 3.987 4.422 0.002 7 0 "[ . 1 . 2]" 1
590 1 25 ASP HA 1 67 ILE HB . . 4.740 4.246 3.935 4.529 . 0 0 "[ . 1 . 2]" 1
591 1 25 ASP HA 1 68 ARG HA . . 3.550 3.402 3.058 3.524 . 0 0 "[ . 1 . 2]" 1
592 1 25 ASP HA 1 69 GLY H . . 3.670 3.446 3.263 3.592 . 0 0 "[ . 1 . 2]" 1
593 1 25 ASP HA 1 69 GLY HA2 . . 4.660 4.457 4.274 4.631 . 0 0 "[ . 1 . 2]" 1
594 1 25 ASP HA 1 70 ALA H . . 3.670 3.492 3.350 3.670 0.000 1 0 "[ . 1 . 2]" 1
595 1 25 ASP HA 1 70 ALA MB . . 4.750 3.462 3.041 3.798 . 0 0 "[ . 1 . 2]" 1
596 1 25 ASP HB2 1 26 VAL H . . 3.600 3.067 2.395 3.611 0.011 7 0 "[ . 1 . 2]" 1
597 1 25 ASP HB2 1 66 VAL MG1 . . 3.600 2.858 2.517 3.550 . 0 0 "[ . 1 . 2]" 1
598 1 25 ASP HB2 1 68 ARG HA . . 4.360 3.718 2.398 3.978 . 0 0 "[ . 1 . 2]" 1
599 1 25 ASP HB2 1 69 GLY H . . 4.950 4.700 3.152 4.924 . 0 0 "[ . 1 . 2]" 1
600 1 25 ASP HB3 1 26 VAL H . . 4.410 4.005 3.729 4.233 . 0 0 "[ . 1 . 2]" 1
601 1 25 ASP HB3 1 66 VAL MG1 . . 4.270 3.876 3.634 4.217 . 0 0 "[ . 1 . 2]" 1
602 1 25 ASP HB3 1 68 ARG HA . . 4.780 3.254 2.834 4.157 . 0 0 "[ . 1 . 2]" 1
603 1 25 ASP HB3 1 69 GLY H . . 4.860 3.614 3.368 4.530 . 0 0 "[ . 1 . 2]" 1
604 1 26 VAL H 1 26 VAL HB . . 3.330 2.529 2.404 2.791 . 0 0 "[ . 1 . 2]" 1
605 1 26 VAL H 1 26 VAL MG1 . . 3.930 3.787 3.742 3.899 . 0 0 "[ . 1 . 2]" 1
606 1 26 VAL H 1 26 VAL MG2 . . 3.250 2.821 2.578 3.045 . 0 0 "[ . 1 . 2]" 1
607 1 26 VAL H 1 27 GLU HG3 . . 5.120 4.431 4.012 4.629 . 0 0 "[ . 1 . 2]" 1
608 1 26 VAL H 1 66 VAL MG1 . . 4.520 3.728 3.372 4.106 . 0 0 "[ . 1 . 2]" 1
609 1 26 VAL H 1 67 ILE HB . . 3.700 2.691 2.339 3.038 . 0 0 "[ . 1 . 2]" 1
610 1 26 VAL H 1 67 ILE MD . . 4.700 4.016 3.799 4.284 . 0 0 "[ . 1 . 2]" 1
611 1 26 VAL H 1 67 ILE HG13 . . 4.840 4.644 4.359 4.816 . 0 0 "[ . 1 . 2]" 1
612 1 26 VAL H 1 67 ILE MG . . 4.270 3.907 3.581 4.195 . 0 0 "[ . 1 . 2]" 1
613 1 26 VAL H 1 68 ARG HA . . 4.800 4.494 4.259 4.814 0.014 4 0 "[ . 1 . 2]" 1
614 1 26 VAL H 1 70 ALA MB . . 4.560 3.416 2.979 3.852 . 0 0 "[ . 1 . 2]" 1
615 1 26 VAL HA 1 26 VAL MG1 . . 3.300 2.410 2.326 2.467 . 0 0 "[ . 1 . 2]" 1
616 1 26 VAL HA 1 26 VAL MG2 . . 3.170 2.314 2.198 2.391 . 0 0 "[ . 1 . 2]" 1
617 1 26 VAL HA 1 27 GLU H . . 2.640 2.215 2.181 2.294 . 0 0 "[ . 1 . 2]" 1
618 1 26 VAL HA 1 27 GLU HB2 . . 4.840 4.539 4.426 4.623 . 0 0 "[ . 1 . 2]" 1
619 1 26 VAL HA 1 27 GLU HG2 . . 5.130 5.091 5.016 5.134 0.004 12 0 "[ . 1 . 2]" 1
620 1 26 VAL HA 1 27 GLU HG3 . . 4.430 3.624 3.520 3.735 . 0 0 "[ . 1 . 2]" 1
621 1 26 VAL HA 1 28 LEU HG . . 5.500 5.393 5.251 5.497 . 0 0 "[ . 1 . 2]" 1
622 1 26 VAL HA 1 67 ILE HB . . 4.890 4.681 4.372 4.880 . 0 0 "[ . 1 . 2]" 1
623 1 26 VAL HB 1 27 GLU H . . 4.600 4.054 3.888 4.181 . 0 0 "[ . 1 . 2]" 1
624 1 26 VAL HB 1 28 LEU MD1 . . 4.950 4.519 4.405 4.664 . 0 0 "[ . 1 . 2]" 1
625 1 26 VAL HB 1 67 ILE HA . . 5.500 4.944 4.824 5.032 . 0 0 "[ . 1 . 2]" 1
626 1 26 VAL HB 1 67 ILE HB . . 3.300 2.073 1.995 2.180 . 0 0 "[ . 1 . 2]" 1
627 1 26 VAL HB 1 67 ILE MD . . 3.500 2.181 1.939 2.447 . 0 0 "[ . 1 . 2]" 1
628 1 26 VAL HB 1 67 ILE HG12 . . 4.850 4.386 4.137 4.566 . 0 0 "[ . 1 . 2]" 1
629 1 26 VAL HB 1 67 ILE HG13 . . 4.530 3.684 3.314 3.857 . 0 0 "[ . 1 . 2]" 1
630 1 26 VAL HB 1 67 ILE MG . . 3.960 3.457 3.255 3.607 . 0 0 "[ . 1 . 2]" 1
631 1 26 VAL HB 1 70 ALA MB . . 4.840 3.323 3.146 3.616 . 0 0 "[ . 1 . 2]" 1
632 1 26 VAL HB 1 91 LEU MD1 . . 4.410 3.711 3.522 3.916 . 0 0 "[ . 1 . 2]" 1
633 1 26 VAL HB 1 91 LEU MD2 . . 4.350 3.624 3.233 3.991 . 0 0 "[ . 1 . 2]" 1
634 1 26 VAL MG1 1 27 GLU H . . 3.370 2.082 1.911 2.310 . 0 0 "[ . 1 . 2]" 1
635 1 26 VAL MG1 1 27 GLU HA . . 4.030 3.436 3.257 3.530 . 0 0 "[ . 1 . 2]" 1
636 1 26 VAL MG1 1 27 GLU HB2 . . 4.890 4.394 4.288 4.504 . 0 0 "[ . 1 . 2]" 1
637 1 26 VAL MG1 1 28 LEU H . . 4.280 3.659 3.397 4.214 . 0 0 "[ . 1 . 2]" 1
638 1 26 VAL MG1 1 28 LEU HA . . 4.700 4.198 3.947 4.484 . 0 0 "[ . 1 . 2]" 1
639 1 26 VAL MG1 1 67 ILE HB . . 3.720 3.576 3.447 3.704 . 0 0 "[ . 1 . 2]" 1
640 1 26 VAL MG2 1 27 GLU H . . 3.860 3.802 3.700 3.857 . 0 0 "[ . 1 . 2]" 1
641 1 26 VAL MG2 1 27 GLU HA . . 5.460 5.455 5.406 5.482 0.022 16 0 "[ . 1 . 2]" 1
642 1 26 VAL MG2 1 67 ILE HB . . 4.080 3.288 3.112 3.450 . 0 0 "[ . 1 . 2]" 1
643 1 26 VAL MG2 1 70 ALA H . . 4.500 4.329 4.129 4.483 . 0 0 "[ . 1 . 2]" 1
644 1 26 VAL MG2 1 70 ALA HA . . 4.800 4.630 4.320 4.796 . 0 0 "[ . 1 . 2]" 1
645 1 26 VAL MG2 1 91 LEU MD2 . . 3.160 2.597 2.170 3.145 . 0 0 "[ . 1 . 2]" 1
646 1 26 VAL MG2 1 91 LEU HG . . 4.460 4.216 3.915 4.461 0.001 20 0 "[ . 1 . 2]" 1
647 1 27 GLU H 1 27 GLU HB2 . . 3.350 2.723 2.666 2.810 . 0 0 "[ . 1 . 2]" 1
648 1 27 GLU H 1 27 GLU HB3 . . 3.930 3.822 3.791 3.875 . 0 0 "[ . 1 . 2]" 1
649 1 27 GLU H 1 27 GLU HG2 . . 4.280 4.132 4.024 4.282 0.002 4 0 "[ . 1 . 2]" 1
650 1 27 GLU H 1 27 GLU HG3 . . 3.790 2.988 2.823 3.228 . 0 0 "[ . 1 . 2]" 1
651 1 27 GLU H 1 28 LEU H . . 4.380 4.137 4.000 4.379 . 0 0 "[ . 1 . 2]" 1
652 1 27 GLU H 1 67 ILE MD . . 4.890 4.718 4.393 4.884 . 0 0 "[ . 1 . 2]" 1
653 1 27 GLU HA 1 27 GLU HG2 . . 3.830 2.649 2.522 2.737 . 0 0 "[ . 1 . 2]" 1
654 1 27 GLU HA 1 27 GLU HG3 . . 3.890 3.011 2.933 3.053 . 0 0 "[ . 1 . 2]" 1
655 1 27 GLU HA 1 28 LEU H . . 2.790 2.149 2.139 2.179 . 0 0 "[ . 1 . 2]" 1
656 1 27 GLU HA 1 28 LEU HG . . 4.920 3.864 3.613 4.169 . 0 0 "[ . 1 . 2]" 1
657 1 27 GLU HA 1 64 MET ME . . 5.500 4.717 4.408 5.013 . 0 0 "[ . 1 . 2]" 1
658 1 27 GLU HA 1 64 MET HG2 . . 4.900 3.521 3.156 3.825 . 0 0 "[ . 1 . 2]" 1
659 1 27 GLU HA 1 66 VAL MG2 . . 3.750 3.607 3.505 3.736 . 0 0 "[ . 1 . 2]" 1
660 1 27 GLU HA 1 67 ILE H . . 4.370 4.023 3.735 4.276 . 0 0 "[ . 1 . 2]" 1
661 1 27 GLU HB2 1 28 LEU H . . 4.460 4.311 4.054 4.432 . 0 0 "[ . 1 . 2]" 1
662 1 27 GLU HB2 1 66 VAL MG2 . . 5.260 5.043 4.774 5.204 . 0 0 "[ . 1 . 2]" 1
663 1 27 GLU HB3 1 28 LEU H . . 3.980 3.551 3.121 3.789 . 0 0 "[ . 1 . 2]" 1
664 1 27 GLU HB3 1 66 VAL MG2 . . 4.220 3.904 3.643 4.087 . 0 0 "[ . 1 . 2]" 1
665 1 27 GLU HG2 1 28 LEU H . . 4.700 4.598 4.326 4.701 0.001 18 0 "[ . 1 . 2]" 1
666 1 27 GLU HG2 1 66 VAL H . . 5.500 5.089 4.701 5.451 . 0 0 "[ . 1 . 2]" 1
667 1 27 GLU HG2 1 66 VAL MG1 . . 3.870 2.830 2.512 3.209 . 0 0 "[ . 1 . 2]" 1
668 1 27 GLU HG2 1 66 VAL MG2 . . 3.320 2.679 2.420 2.829 . 0 0 "[ . 1 . 2]" 1
669 1 27 GLU HG2 1 67 ILE H . . 5.500 4.504 4.077 4.765 . 0 0 "[ . 1 . 2]" 1
670 1 27 GLU HG3 1 28 LEU H . . 5.110 5.080 5.018 5.116 0.006 12 0 "[ . 1 . 2]" 1
671 1 27 GLU HG3 1 66 VAL HA . . 4.960 3.942 3.590 4.149 . 0 0 "[ . 1 . 2]" 1
672 1 27 GLU HG3 1 66 VAL MG1 . . 3.960 3.412 3.118 3.655 . 0 0 "[ . 1 . 2]" 1
673 1 27 GLU HG3 1 66 VAL MG2 . . 4.270 4.086 3.853 4.242 . 0 0 "[ . 1 . 2]" 1
674 1 27 GLU HG3 1 67 ILE H . . 5.220 4.556 4.140 4.826 . 0 0 "[ . 1 . 2]" 1
675 1 28 LEU H 1 28 LEU HB2 . . 3.400 2.591 2.451 2.750 . 0 0 "[ . 1 . 2]" 1
676 1 28 LEU H 1 28 LEU HB3 . . 3.830 3.714 3.639 3.828 . 0 0 "[ . 1 . 2]" 1
677 1 28 LEU H 1 28 LEU MD1 . . 4.000 3.513 3.295 3.786 . 0 0 "[ . 1 . 2]" 1
678 1 28 LEU H 1 28 LEU MD2 . . 4.120 3.941 3.640 4.112 . 0 0 "[ . 1 . 2]" 1
679 1 28 LEU H 1 28 LEU HG . . 3.670 2.685 2.278 2.947 . 0 0 "[ . 1 . 2]" 1
680 1 28 LEU H 1 29 ARG H . . 4.430 4.062 3.831 4.235 . 0 0 "[ . 1 . 2]" 1
681 1 28 LEU H 1 29 ARG HA . . 5.290 4.858 4.594 5.057 . 0 0 "[ . 1 . 2]" 1
682 1 28 LEU H 1 64 MET HA . . 4.610 4.092 3.720 4.422 . 0 0 "[ . 1 . 2]" 1
683 1 28 LEU H 1 64 MET HG2 . . 3.980 3.565 3.127 3.877 . 0 0 "[ . 1 . 2]" 1
684 1 28 LEU H 1 64 MET HG3 . . 4.070 3.364 2.480 3.720 . 0 0 "[ . 1 . 2]" 1
685 1 28 LEU H 1 65 LEU H . . 3.640 2.461 2.211 2.708 . 0 0 "[ . 1 . 2]" 1
686 1 28 LEU H 1 65 LEU HA . . 5.030 4.694 4.486 4.859 . 0 0 "[ . 1 . 2]" 1
687 1 28 LEU H 1 65 LEU QB . . 4.050 3.262 3.016 3.557 . 0 0 "[ . 1 . 2]" 1
688 1 28 LEU H 1 66 VAL HA . . 4.210 4.125 3.927 4.204 . 0 0 "[ . 1 . 2]" 1
689 1 28 LEU H 1 66 VAL MG2 . . 4.720 4.644 4.395 4.728 0.008 3 0 "[ . 1 . 2]" 1
690 1 28 LEU HA 1 28 LEU MD1 . . 4.500 3.950 3.917 3.996 . 0 0 "[ . 1 . 2]" 1
691 1 28 LEU HA 1 28 LEU MD2 . . 3.070 2.424 2.219 2.596 . 0 0 "[ . 1 . 2]" 1
692 1 28 LEU HA 1 28 LEU HG . . 3.710 2.942 2.818 3.087 . 0 0 "[ . 1 . 2]" 1
693 1 28 LEU HA 1 29 ARG H . . 2.650 2.202 2.156 2.261 . 0 0 "[ . 1 . 2]" 1
694 1 28 LEU HA 1 29 ARG QG . . 5.030 4.202 3.768 4.701 . 0 0 "[ . 1 . 2]" 1
695 1 28 LEU HB2 1 28 LEU MD1 . . 3.490 2.109 1.996 2.228 . 0 0 "[ . 1 . 2]" 1
696 1 28 LEU HB2 1 29 ARG H . . 4.810 4.398 4.313 4.452 . 0 0 "[ . 1 . 2]" 1
697 1 28 LEU HB2 1 41 TRP HH2 . . 4.640 2.735 2.303 3.208 . 0 0 "[ . 1 . 2]" 1
698 1 28 LEU HB2 1 41 TRP HZ3 . . 4.800 2.957 2.639 3.423 . 0 0 "[ . 1 . 2]" 1
699 1 28 LEU HB2 1 64 MET HA . . 4.690 4.380 4.091 4.511 . 0 0 "[ . 1 . 2]" 1
700 1 28 LEU HB2 1 65 LEU H . . 4.110 3.186 2.799 3.441 . 0 0 "[ . 1 . 2]" 1
701 1 28 LEU HB2 1 65 LEU HB2 . . 4.660 3.980 3.757 4.337 . 0 0 "[ . 1 . 2]" 1
702 1 28 LEU HB2 1 65 LEU QB . . 3.860 2.542 2.197 2.770 . 0 0 "[ . 1 . 2]" 1
703 1 28 LEU HB2 1 65 LEU HB3 . . 4.660 2.572 2.212 2.803 . 0 0 "[ . 1 . 2]" 1
704 1 28 LEU HB2 1 65 LEU MD2 . . 4.330 3.493 3.064 3.790 . 0 0 "[ . 1 . 2]" 1
705 1 28 LEU HB3 1 28 LEU MD1 . . 3.600 2.596 2.468 2.674 . 0 0 "[ . 1 . 2]" 1
706 1 28 LEU HB3 1 29 ARG H . . 4.690 3.869 3.697 4.020 . 0 0 "[ . 1 . 2]" 1
707 1 28 LEU HB3 1 41 TRP HH2 . . 4.090 3.252 2.859 3.594 . 0 0 "[ . 1 . 2]" 1
708 1 28 LEU HB3 1 41 TRP HZ3 . . 4.700 3.303 3.032 3.471 . 0 0 "[ . 1 . 2]" 1
709 1 28 LEU HB3 1 65 LEU H . . 4.970 4.608 4.307 4.861 . 0 0 "[ . 1 . 2]" 1
710 1 28 LEU HB3 1 65 LEU QB . . 4.370 4.149 3.797 4.334 . 0 0 "[ . 1 . 2]" 1
711 1 28 LEU MD1 1 41 TRP HE3 . . 4.800 3.686 3.314 3.916 . 0 0 "[ . 1 . 2]" 1
712 1 28 LEU MD1 1 41 TRP HH2 . . 5.140 3.751 3.446 4.159 . 0 0 "[ . 1 . 2]" 1
713 1 28 LEU MD1 1 41 TRP HZ3 . . 3.940 2.453 2.167 3.034 . 0 0 "[ . 1 . 2]" 1
714 1 28 LEU MD1 1 65 LEU QB . . 4.650 2.743 2.356 2.985 . 0 0 "[ . 1 . 2]" 1
715 1 28 LEU MD1 1 78 TYR HB2 . . 3.610 2.909 2.536 3.193 . 0 0 "[ . 1 . 2]" 1
716 1 28 LEU MD1 1 78 TYR HB3 . . 3.940 3.105 2.786 3.484 . 0 0 "[ . 1 . 2]" 1
717 1 28 LEU MD1 1 78 TYR QD . . 3.830 2.856 2.646 3.085 . 0 0 "[ . 1 . 2]" 1
718 1 28 LEU MD1 1 78 TYR QE . . 4.790 3.335 3.166 3.682 . 0 0 "[ . 1 . 2]" 1
719 1 28 LEU MD1 1 89 ALA MB . . 4.420 3.804 3.406 4.355 . 0 0 "[ . 1 . 2]" 1
720 1 28 LEU MD1 1 91 LEU HB2 . . 5.470 3.840 3.619 4.103 . 0 0 "[ . 1 . 2]" 1
721 1 28 LEU MD1 1 91 LEU QB . . 4.680 3.713 3.512 3.944 . 0 0 "[ . 1 . 2]" 1
722 1 28 LEU MD1 1 91 LEU HB3 . . 5.470 4.931 4.727 5.121 . 0 0 "[ . 1 . 2]" 1
723 1 28 LEU MD2 1 29 ARG H . . 4.290 4.195 4.052 4.299 0.009 4 0 "[ . 1 . 2]" 1
724 1 28 LEU MD2 1 41 TRP HH2 . . 5.160 4.857 4.476 5.137 . 0 0 "[ . 1 . 2]" 1
725 1 28 LEU MD2 1 41 TRP HZ3 . . 4.340 4.200 3.846 4.341 0.001 14 0 "[ . 1 . 2]" 1
726 1 28 LEU MD2 1 78 TYR HB2 . . 4.300 3.901 3.444 4.294 . 0 0 "[ . 1 . 2]" 1
727 1 28 LEU MD2 1 78 TYR QD . . 5.370 3.903 3.477 4.380 . 0 0 "[ . 1 . 2]" 1
728 1 28 LEU HG 1 29 ARG H . . 5.340 5.045 4.956 5.129 . 0 0 "[ . 1 . 2]" 1
729 1 29 ARG H 1 29 ARG HB2 . . 3.690 2.407 2.205 2.594 . 0 0 "[ . 1 . 2]" 1
730 1 29 ARG H 1 29 ARG QB . . 3.100 2.373 2.182 2.545 . 0 0 "[ . 1 . 2]" 1
731 1 29 ARG H 1 29 ARG HB3 . . 3.690 3.611 3.482 3.690 0.000 7 0 "[ . 1 . 2]" 1
732 1 29 ARG H 1 29 ARG QD . . 4.750 4.330 4.054 4.658 . 0 0 "[ . 1 . 2]" 1
733 1 29 ARG H 1 29 ARG QG . . 3.270 2.671 2.282 3.113 . 0 0 "[ . 1 . 2]" 1
734 1 29 ARG H 1 30 CYS H . . 4.610 4.575 4.552 4.601 . 0 0 "[ . 1 . 2]" 1
735 1 29 ARG H 1 64 MET HA . . 4.740 4.346 4.190 4.520 . 0 0 "[ . 1 . 2]" 1
736 1 29 ARG H 1 64 MET HG2 . . 5.500 5.335 4.958 5.503 0.003 12 0 "[ . 1 . 2]" 1
737 1 29 ARG HA 1 29 ARG QD . . 4.910 4.019 3.881 4.196 . 0 0 "[ . 1 . 2]" 1
738 1 29 ARG HA 1 29 ARG QG . . 3.550 2.387 2.191 2.570 . 0 0 "[ . 1 . 2]" 1
739 1 29 ARG HA 1 30 CYS H . . 2.760 2.321 2.225 2.406 . 0 0 "[ . 1 . 2]" 1
740 1 29 ARG HA 1 30 CYS HA . . 4.590 4.473 4.427 4.523 . 0 0 "[ . 1 . 2]" 1
741 1 29 ARG HA 1 41 TRP HH2 . . 4.590 4.306 4.053 4.581 . 0 0 "[ . 1 . 2]" 1
742 1 29 ARG HA 1 63 ALA H . . 4.880 4.513 4.156 4.868 . 0 0 "[ . 1 . 2]" 1
743 1 29 ARG HA 1 64 MET H . . 5.080 4.449 4.249 4.646 . 0 0 "[ . 1 . 2]" 1
744 1 29 ARG HA 1 64 MET HA . . 3.270 2.277 2.151 2.438 . 0 0 "[ . 1 . 2]" 1
745 1 29 ARG HA 1 64 MET HB2 . . 4.670 3.214 2.794 3.511 . 0 0 "[ . 1 . 2]" 1
746 1 29 ARG HA 1 64 MET HB3 . . 4.990 4.581 4.327 4.761 . 0 0 "[ . 1 . 2]" 1
747 1 29 ARG HA 1 64 MET HG2 . . 4.830 4.557 4.312 4.735 . 0 0 "[ . 1 . 2]" 1
748 1 29 ARG HA 1 64 MET HG3 . . 4.680 3.094 2.787 3.324 . 0 0 "[ . 1 . 2]" 1
749 1 29 ARG HA 1 65 LEU H . . 4.270 4.005 3.853 4.164 . 0 0 "[ . 1 . 2]" 1
750 1 29 ARG QB 1 30 CYS H . . 3.600 2.611 2.397 2.866 . 0 0 "[ . 1 . 2]" 1
751 1 29 ARG QB 1 30 CYS HA . . 4.880 3.969 3.887 4.060 . 0 0 "[ . 1 . 2]" 1
752 1 29 ARG QB 1 30 CYS QB . . 5.100 4.622 4.511 4.756 . 0 0 "[ . 1 . 2]" 1
753 1 29 ARG HB2 1 29 ARG QD . . 3.470 2.694 2.344 2.983 . 0 0 "[ . 1 . 2]" 1
754 1 29 ARG HB2 1 30 CYS H . . 4.110 3.843 3.595 4.073 . 0 0 "[ . 1 . 2]" 1
755 1 29 ARG HB3 1 29 ARG QD . . 3.470 2.454 2.228 2.936 . 0 0 "[ . 1 . 2]" 1
756 1 29 ARG HB3 1 30 CYS H . . 4.110 2.657 2.434 2.930 . 0 0 "[ . 1 . 2]" 1
757 1 29 ARG QD 1 62 MET ME . . 3.570 3.341 2.872 3.556 . 0 0 "[ . 1 . 2]" 1
758 1 29 ARG QD 1 62 MET HG2 . . 4.560 3.892 3.273 4.563 0.003 14 0 "[ . 1 . 2]" 1
759 1 29 ARG QD 1 62 MET QG . . 4.000 3.307 2.797 3.972 . 0 0 "[ . 1 . 2]" 1
760 1 29 ARG QD 1 62 MET HG3 . . 4.560 3.604 3.000 4.580 0.020 16 0 "[ . 1 . 2]" 1
761 1 29 ARG QD 1 64 MET ME . . 4.330 4.046 3.569 4.337 0.007 19 0 "[ . 1 . 2]" 1
762 1 29 ARG QD 1 64 MET HG3 . . 4.650 3.777 3.376 4.660 0.010 16 0 "[ . 1 . 2]" 1
763 1 29 ARG QG 1 30 CYS H . . 4.210 3.796 3.360 4.102 . 0 0 "[ . 1 . 2]" 1
764 1 29 ARG QG 1 62 MET HG2 . . 4.830 3.851 2.759 4.528 . 0 0 "[ . 1 . 2]" 1
765 1 29 ARG QG 1 62 MET QG . . 4.250 3.538 2.601 4.117 . 0 0 "[ . 1 . 2]" 1
766 1 29 ARG QG 1 62 MET HG3 . . 4.830 4.189 3.183 4.780 . 0 0 "[ . 1 . 2]" 1
767 1 29 ARG QG 1 64 MET HA . . 4.150 3.115 2.856 3.428 . 0 0 "[ . 1 . 2]" 1
768 1 29 ARG QG 1 64 MET HB2 . . 4.210 2.130 1.964 2.357 . 0 0 "[ . 1 . 2]" 1
769 1 29 ARG QG 1 64 MET HB3 . . 4.450 3.581 3.409 3.752 . 0 0 "[ . 1 . 2]" 1
770 1 29 ARG QG 1 64 MET HG2 . . 4.010 3.446 3.318 3.984 . 0 0 "[ . 1 . 2]" 1
771 1 29 ARG QG 1 64 MET HG3 . . 4.050 2.051 1.874 2.831 . 0 0 "[ . 1 . 2]" 1
772 1 29 ARG QG 1 65 LEU H . . 5.220 4.245 3.953 4.514 . 0 0 "[ . 1 . 2]" 1
773 1 30 CYS H 1 31 GLU HA . . 4.830 4.705 4.640 4.765 . 0 0 "[ . 1 . 2]" 1
774 1 30 CYS H 1 41 TRP HH2 . . 5.500 5.197 4.830 5.481 . 0 0 "[ . 1 . 2]" 1
775 1 30 CYS H 1 63 ALA H . . 3.630 2.866 2.517 3.199 . 0 0 "[ . 1 . 2]" 1
776 1 30 CYS H 1 63 ALA MB . . 4.020 3.788 3.519 4.026 0.006 16 0 "[ . 1 . 2]" 1
777 1 30 CYS H 1 64 MET HA . . 4.160 4.011 3.723 4.171 0.011 4 0 "[ . 1 . 2]" 1
778 1 30 CYS H 1 64 MET HG3 . . 5.500 5.289 5.069 5.496 . 0 0 "[ . 1 . 2]" 1
779 1 30 CYS HA 1 31 GLU H . . 2.900 2.636 2.583 2.654 . 0 0 "[ . 1 . 2]" 1
780 1 30 CYS QB 1 31 GLU H . . 3.250 2.248 2.066 2.313 . 0 0 "[ . 1 . 2]" 1
781 1 30 CYS QB 1 63 ALA MB . . 3.620 3.442 3.177 3.634 0.014 14 0 "[ . 1 . 2]" 1
782 1 30 CYS HB2 1 31 GLU H . . 3.980 2.268 2.079 2.335 . 0 0 "[ . 1 . 2]" 1
783 1 30 CYS HB3 1 31 GLU H . . 3.980 3.690 3.600 3.752 . 0 0 "[ . 1 . 2]" 1
784 1 31 GLU H 1 31 GLU HB2 . . 3.650 3.031 2.929 3.104 . 0 0 "[ . 1 . 2]" 1
785 1 31 GLU H 1 31 GLU HB3 . . 3.240 2.906 2.839 2.978 . 0 0 "[ . 1 . 2]" 1
786 1 31 GLU H 1 31 GLU QG . . 4.400 4.202 4.148 4.297 . 0 0 "[ . 1 . 2]" 1
787 1 31 GLU H 1 32 LEU H . . 4.780 4.378 4.306 4.452 . 0 0 "[ . 1 . 2]" 1
788 1 31 GLU H 1 32 LEU MD1 . . 5.500 5.502 5.474 5.532 0.032 4 0 "[ . 1 . 2]" 1
789 1 31 GLU HA 1 31 GLU QG . . 3.470 2.419 2.218 2.626 . 0 0 "[ . 1 . 2]" 1
790 1 31 GLU HA 1 32 LEU H . . 2.810 2.237 2.171 2.335 . 0 0 "[ . 1 . 2]" 1
791 1 31 GLU HA 1 32 LEU MD1 . . 4.630 4.490 4.384 4.617 . 0 0 "[ . 1 . 2]" 1
792 1 31 GLU HA 1 32 LEU MD2 . . 4.540 4.223 3.757 4.563 0.023 4 0 "[ . 1 . 2]" 1
793 1 31 GLU HA 1 32 LEU HG . . 3.950 3.247 3.085 3.421 . 0 0 "[ . 1 . 2]" 1
794 1 31 GLU HA 1 61 THR HB . . 4.450 3.977 3.552 4.349 . 0 0 "[ . 1 . 2]" 1
795 1 31 GLU HA 1 62 MET HA . . 3.410 3.096 2.781 3.442 0.032 4 0 "[ . 1 . 2]" 1
796 1 31 GLU HA 1 63 ALA H . . 4.250 4.067 3.760 4.244 . 0 0 "[ . 1 . 2]" 1
797 1 31 GLU HA 1 63 ALA MB . . 5.500 5.227 4.844 5.501 0.001 12 0 "[ . 1 . 2]" 1
798 1 31 GLU HB2 1 32 LEU H . . 4.280 4.160 4.006 4.321 0.041 4 0 "[ . 1 . 2]" 1
799 1 31 GLU HB3 1 32 LEU H . . 4.110 3.770 3.535 3.935 . 0 0 "[ . 1 . 2]" 1
800 1 31 GLU QG 1 32 LEU H . . 3.590 2.338 1.906 3.389 . 0 0 "[ . 1 . 2]" 1
801 1 31 GLU QG 1 61 THR HB . . 3.670 3.343 3.027 3.710 0.040 4 0 "[ . 1 . 2]" 1
802 1 31 GLU QG 1 61 THR MG . . 4.620 4.435 4.166 4.637 0.017 4 0 "[ . 1 . 2]" 1
803 1 32 LEU H 1 32 LEU HB2 . . 3.480 2.902 2.768 3.067 . 0 0 "[ . 1 . 2]" 1
804 1 32 LEU H 1 32 LEU HB3 . . 3.900 3.848 3.782 3.921 0.021 10 0 "[ . 1 . 2]" 1
805 1 32 LEU H 1 32 LEU MD1 . . 4.110 3.725 3.557 3.943 . 0 0 "[ . 1 . 2]" 1
806 1 32 LEU H 1 32 LEU MD2 . . 4.050 3.783 3.663 3.883 . 0 0 "[ . 1 . 2]" 1
807 1 32 LEU H 1 32 LEU HG . . 3.650 2.587 2.441 2.703 . 0 0 "[ . 1 . 2]" 1
808 1 32 LEU H 1 33 SER H . . 4.840 4.373 4.307 4.442 . 0 0 "[ . 1 . 2]" 1
809 1 32 LEU H 1 61 THR HA . . 4.480 3.628 3.186 4.016 . 0 0 "[ . 1 . 2]" 1
810 1 32 LEU H 1 61 THR HB . . 3.650 2.363 1.898 2.784 . 0 0 "[ . 1 . 2]" 1
811 1 32 LEU H 1 61 THR HG1 . . 5.380 4.280 3.386 5.061 . 0 0 "[ . 1 . 2]" 1
812 1 32 LEU H 1 61 THR MG . . 4.420 3.787 3.357 4.174 . 0 0 "[ . 1 . 2]" 1
813 1 32 LEU H 1 62 MET HA . . 4.580 4.278 4.051 4.580 . 0 0 "[ . 1 . 2]" 1
814 1 32 LEU H 1 63 ALA H . . 5.310 5.238 5.032 5.318 0.008 16 0 "[ . 1 . 2]" 1
815 1 32 LEU HA 1 32 LEU MD1 . . 4.030 4.013 3.997 4.031 0.001 1 0 "[ . 1 . 2]" 1
816 1 32 LEU HA 1 32 LEU MD2 . . 3.150 2.555 2.319 2.724 . 0 0 "[ . 1 . 2]" 1
817 1 32 LEU HA 1 32 LEU HG . . 4.210 3.175 3.070 3.307 . 0 0 "[ . 1 . 2]" 1
818 1 32 LEU HA 1 33 SER H . . 3.000 2.193 2.163 2.235 . 0 0 "[ . 1 . 2]" 1
819 1 32 LEU HA 1 33 SER HA . . 5.100 4.327 4.309 4.340 . 0 0 "[ . 1 . 2]" 1
820 1 32 LEU HA 1 34 ARG H . . 4.070 3.748 3.625 4.031 . 0 0 "[ . 1 . 2]" 1
821 1 32 LEU HB2 1 33 SER H . . 3.960 3.818 3.645 3.952 . 0 0 "[ . 1 . 2]" 1
822 1 32 LEU HB2 1 34 ARG H . . 3.280 2.870 2.523 3.236 . 0 0 "[ . 1 . 2]" 1
823 1 32 LEU HB2 1 61 THR HA . . 3.740 2.807 2.224 3.056 . 0 0 "[ . 1 . 2]" 1
824 1 32 LEU HB2 1 61 THR HB . . 4.190 3.084 2.592 3.886 . 0 0 "[ . 1 . 2]" 1
825 1 32 LEU HB2 1 61 THR MG . . 4.080 3.004 2.223 3.684 . 0 0 "[ . 1 . 2]" 1
826 1 32 LEU HB3 1 32 LEU MD2 . . 3.390 2.128 2.031 2.273 . 0 0 "[ . 1 . 2]" 1
827 1 32 LEU HB3 1 33 SER H . . 3.560 3.104 2.966 3.231 . 0 0 "[ . 1 . 2]" 1
828 1 32 LEU HB3 1 34 ARG H . . 3.090 2.886 2.712 3.095 0.005 7 0 "[ . 1 . 2]" 1
829 1 32 LEU HB3 1 61 THR HA . . 4.720 4.477 3.897 4.755 0.035 4 0 "[ . 1 . 2]" 1
830 1 32 LEU MD1 1 34 ARG H . . 4.540 4.243 3.990 4.542 0.002 7 0 "[ . 1 . 2]" 1
831 1 32 LEU MD1 1 35 ALA HA . . 4.630 3.094 2.814 3.513 . 0 0 "[ . 1 . 2]" 1
832 1 32 LEU MD1 1 37 THR H . . 4.500 3.623 2.835 4.343 . 0 0 "[ . 1 . 2]" 1
833 1 32 LEU MD1 1 37 THR HB . . 3.650 2.908 1.863 3.656 0.006 13 0 "[ . 1 . 2]" 1
834 1 32 LEU MD1 1 61 THR HA . . 4.120 2.422 1.979 2.804 . 0 0 "[ . 1 . 2]" 1
835 1 32 LEU MD1 1 62 MET HA . . 4.820 4.015 3.667 4.312 . 0 0 "[ . 1 . 2]" 1
836 1 32 LEU MD1 1 63 ALA H . . 4.560 3.624 3.163 3.998 . 0 0 "[ . 1 . 2]" 1
837 1 32 LEU MD1 1 63 ALA HA . . 5.220 4.441 4.068 4.743 . 0 0 "[ . 1 . 2]" 1
838 1 32 LEU MD1 1 63 ALA MB . . 3.190 2.764 2.305 3.022 . 0 0 "[ . 1 . 2]" 1
839 1 32 LEU MD2 1 33 SER H . . 4.090 4.044 3.900 4.103 0.013 10 0 "[ . 1 . 2]" 1
840 1 32 LEU MD2 1 34 ARG H . . 4.970 4.593 4.382 4.802 . 0 0 "[ . 1 . 2]" 1
841 1 32 LEU MD2 1 37 THR HB . . 4.440 3.905 2.834 4.439 . 0 0 "[ . 1 . 2]" 1
842 1 32 LEU MD2 1 37 THR MG . . 4.010 3.614 2.472 4.018 0.008 10 0 "[ . 1 . 2]" 1
843 1 32 LEU MD2 1 61 THR HA . . 5.500 4.694 4.325 5.031 . 0 0 "[ . 1 . 2]" 1
844 1 32 LEU MD2 1 63 ALA H . . 4.570 4.282 3.936 4.552 . 0 0 "[ . 1 . 2]" 1
845 1 32 LEU MD2 1 82 VAL HB . . 4.120 3.748 3.461 4.088 . 0 0 "[ . 1 . 2]" 1
846 1 32 LEU HG 1 35 ALA HA . . 5.500 5.485 5.425 5.514 0.014 16 0 "[ . 1 . 2]" 1
847 1 32 LEU HG 1 63 ALA H . . 4.290 3.868 3.447 4.122 . 0 0 "[ . 1 . 2]" 1
848 1 33 SER H 1 33 SER HB2 . . 4.110 2.731 2.547 3.582 . 0 0 "[ . 1 . 2]" 1
849 1 33 SER H 1 33 SER QB . . 3.370 2.255 2.172 2.618 . 0 0 "[ . 1 . 2]" 1
850 1 33 SER H 1 33 SER HB3 . . 4.110 2.416 2.250 2.692 . 0 0 "[ . 1 . 2]" 1
851 1 33 SER H 1 34 ARG H . . 3.300 2.693 2.575 2.850 . 0 0 "[ . 1 . 2]" 1
852 1 33 SER H 1 34 ARG QB . . 5.080 4.696 4.470 5.102 0.022 19 0 "[ . 1 . 2]" 1
853 1 33 SER HA 1 34 ARG QB . . 5.340 4.737 4.615 4.848 . 0 0 "[ . 1 . 2]" 1
854 1 33 SER QB 1 34 ARG H . . 4.030 3.113 2.729 3.591 . 0 0 "[ . 1 . 2]" 1
855 1 33 SER QB 1 34 ARG QB . . 4.820 3.712 3.572 3.963 . 0 0 "[ . 1 . 2]" 1
856 1 33 SER HB2 1 34 ARG H . . 4.590 4.233 3.877 4.407 . 0 0 "[ . 1 . 2]" 1
857 1 33 SER HB3 1 34 ARG H . . 4.590 3.226 2.774 4.241 . 0 0 "[ . 1 . 2]" 1
858 1 34 ARG H 1 34 ARG QB . . 3.430 2.735 2.575 3.054 . 0 0 "[ . 1 . 2]" 1
859 1 34 ARG H 1 34 ARG QD . . 4.920 4.642 3.794 4.913 . 0 0 "[ . 1 . 2]" 1
860 1 34 ARG H 1 34 ARG HG2 . . 5.140 4.220 2.800 4.989 . 0 0 "[ . 1 . 2]" 1
861 1 34 ARG H 1 34 ARG QG . . 4.270 3.908 2.695 4.286 0.016 12 0 "[ . 1 . 2]" 1
862 1 34 ARG H 1 34 ARG HG3 . . 5.140 4.670 3.112 5.096 . 0 0 "[ . 1 . 2]" 1
863 1 34 ARG H 1 35 ALA H . . 5.500 4.301 4.062 4.408 . 0 0 "[ . 1 . 2]" 1
864 1 34 ARG H 1 61 THR MG . . 4.020 3.416 2.688 3.815 . 0 0 "[ . 1 . 2]" 1
865 1 34 ARG HA 1 34 ARG QD . . 4.390 3.973 3.115 4.374 . 0 0 "[ . 1 . 2]" 1
866 1 34 ARG HA 1 34 ARG HG2 . . 4.150 3.147 2.165 3.964 . 0 0 "[ . 1 . 2]" 1
867 1 34 ARG HA 1 34 ARG QG . . 3.630 2.649 2.144 3.327 . 0 0 "[ . 1 . 2]" 1
868 1 34 ARG HA 1 34 ARG HG3 . . 4.150 3.011 2.461 3.704 . 0 0 "[ . 1 . 2]" 1
869 1 34 ARG HA 1 35 ALA H . . 3.260 2.223 2.143 2.350 . 0 0 "[ . 1 . 2]" 1
870 1 34 ARG HA 1 35 ALA HA . . 4.780 4.349 4.326 4.376 . 0 0 "[ . 1 . 2]" 1
871 1 34 ARG HA 1 35 ALA MB . . 4.880 3.939 3.873 4.005 . 0 0 "[ . 1 . 2]" 1
872 1 34 ARG HA 1 61 THR MG . . 3.390 2.854 2.445 3.179 . 0 0 "[ . 1 . 2]" 1
873 1 34 ARG QB 1 35 ALA H . . 4.090 3.477 2.601 3.706 . 0 0 "[ . 1 . 2]" 1
874 1 34 ARG QB 1 61 THR MG . . 5.190 4.217 3.877 4.608 . 0 0 "[ . 1 . 2]" 1
875 1 34 ARG HB2 1 34 ARG QD . . 3.410 2.651 2.109 3.420 0.010 13 0 "[ . 1 . 2]" 1
876 1 34 ARG HB3 1 34 ARG QD . . 3.410 2.406 2.151 3.266 . 0 0 "[ . 1 . 2]" 1
877 1 34 ARG QD 1 35 ALA H . . 5.500 4.178 2.724 4.990 . 0 0 "[ . 1 . 2]" 1
878 1 34 ARG QD 1 37 THR MG . . 5.170 4.827 4.290 5.183 0.013 10 0 "[ . 1 . 2]" 1
879 1 34 ARG QG 1 35 ALA H . . 4.540 2.548 1.888 3.566 . 0 0 "[ . 1 . 2]" 1
880 1 34 ARG QG 1 35 ALA MB . . 5.030 3.821 3.438 4.538 . 0 0 "[ . 1 . 2]" 1
881 1 35 ALA H 1 35 ALA MB . . 3.330 2.160 2.037 2.306 . 0 0 "[ . 1 . 2]" 1
882 1 35 ALA H 1 61 THR MG . . 3.730 2.542 2.261 2.798 . 0 0 "[ . 1 . 2]" 1
883 1 35 ALA HA 1 36 GLY H . . 3.450 2.533 2.152 2.818 . 0 0 "[ . 1 . 2]" 1
884 1 35 ALA HA 1 36 GLY QA . . 4.950 4.113 3.922 4.183 . 0 0 "[ . 1 . 2]" 1
885 1 35 ALA HA 1 37 THR H . . 4.030 3.570 3.004 4.031 0.001 4 0 "[ . 1 . 2]" 1
886 1 35 ALA HA 1 60 GLY QA . . 5.300 4.270 3.052 5.086 . 0 0 "[ . 1 . 2]" 1
887 1 35 ALA HA 1 61 THR HA . . 3.770 2.777 2.404 3.020 . 0 0 "[ . 1 . 2]" 1
888 1 35 ALA HA 1 61 THR MG . . 3.910 2.239 1.940 2.717 . 0 0 "[ . 1 . 2]" 1
889 1 35 ALA MB 1 36 GLY H . . 3.570 2.368 1.944 3.681 0.111 7 0 "[ . 1 . 2]" 1
890 1 35 ALA MB 1 36 GLY HA2 . . 4.760 3.921 3.710 4.189 . 0 0 "[ . 1 . 2]" 1
891 1 35 ALA MB 1 36 GLY QA . . 4.110 3.424 3.294 3.896 . 0 0 "[ . 1 . 2]" 1
892 1 35 ALA MB 1 36 GLY HA3 . . 4.760 3.794 3.572 4.636 . 0 0 "[ . 1 . 2]" 1
893 1 35 ALA MB 1 37 THR H . . 5.160 4.351 3.952 4.731 . 0 0 "[ . 1 . 2]" 1
894 1 35 ALA MB 1 60 GLY HA2 . . 4.350 2.531 1.937 2.979 . 0 0 "[ . 1 . 2]" 1
895 1 35 ALA MB 1 60 GLY QA . . 3.570 2.469 1.903 2.926 . 0 0 "[ . 1 . 2]" 1
896 1 35 ALA MB 1 60 GLY HA3 . . 4.350 3.614 2.348 4.358 0.008 4 0 "[ . 1 . 2]" 1
897 1 35 ALA MB 1 61 THR H . . 4.640 2.327 1.758 3.583 . 0 0 "[ . 1 . 2]" 1
898 1 35 ALA MB 1 61 THR HA . . 4.050 3.293 2.976 3.786 . 0 0 "[ . 1 . 2]" 1
899 1 35 ALA MB 1 61 THR MG . . 3.190 1.977 1.802 2.249 . 0 0 "[ . 1 . 2]" 1
900 1 36 GLY H 1 37 THR H . . 3.580 2.849 2.277 3.516 . 0 0 "[ . 1 . 2]" 1
901 1 37 THR H 1 37 THR HB . . 3.150 2.635 2.303 3.062 . 0 0 "[ . 1 . 2]" 1
902 1 37 THR H 1 37 THR MG . . 3.950 3.817 3.634 3.961 0.011 7 0 "[ . 1 . 2]" 1
903 1 37 THR HA 1 37 THR MG . . 3.430 2.413 2.139 2.578 . 0 0 "[ . 1 . 2]" 1
904 1 37 THR HA 1 38 PRO HD2 . . 3.240 2.039 1.916 2.182 . 0 0 "[ . 1 . 2]" 1
905 1 37 THR HA 1 38 PRO QD . . 2.760 1.906 1.853 1.974 . 0 0 "[ . 1 . 2]" 1
906 1 37 THR HA 1 38 PRO HD3 . . 3.240 2.312 2.254 2.460 . 0 0 "[ . 1 . 2]" 1
907 1 37 THR HA 1 38 PRO HG2 . . 4.750 4.224 4.122 4.338 . 0 0 "[ . 1 . 2]" 1
908 1 37 THR HA 1 38 PRO QG . . 4.090 3.810 3.768 3.875 . 0 0 "[ . 1 . 2]" 1
909 1 37 THR HA 1 38 PRO HG3 . . 4.750 4.335 4.317 4.363 . 0 0 "[ . 1 . 2]" 1
910 1 37 THR MG 1 38 PRO HA . . 4.950 4.130 3.918 4.682 . 0 0 "[ . 1 . 2]" 1
911 1 37 THR MG 1 38 PRO HD2 . . 4.080 2.124 1.819 2.852 . 0 0 "[ . 1 . 2]" 1
912 1 37 THR MG 1 38 PRO QD . . 3.320 2.104 1.808 2.796 . 0 0 "[ . 1 . 2]" 1
913 1 37 THR MG 1 38 PRO HD3 . . 4.080 3.469 3.154 4.020 . 0 0 "[ . 1 . 2]" 1
914 1 37 THR MG 1 39 VAL HA . . 5.340 4.283 4.007 4.999 . 0 0 "[ . 1 . 2]" 1
915 1 37 THR MG 1 82 VAL HA . . 4.590 4.004 3.385 4.591 0.001 10 0 "[ . 1 . 2]" 1
916 1 37 THR MG 1 82 VAL HB . . 5.120 4.597 3.826 4.922 . 0 0 "[ . 1 . 2]" 1
917 1 37 THR MG 1 83 GLU H . . 4.320 2.840 2.183 3.381 . 0 0 "[ . 1 . 2]" 1
918 1 37 THR MG 1 83 GLU HB3 . . 4.370 3.327 1.975 4.407 0.037 19 0 "[ . 1 . 2]" 1
919 1 37 THR MG 1 83 GLU HG2 . . 4.440 2.410 1.963 2.921 . 0 0 "[ . 1 . 2]" 1
920 1 37 THR MG 1 83 GLU QG . . 3.800 2.290 1.951 2.624 . 0 0 "[ . 1 . 2]" 1
921 1 37 THR MG 1 83 GLU HG3 . . 4.440 3.206 2.637 3.658 . 0 0 "[ . 1 . 2]" 1
922 1 38 PRO HA 1 39 VAL H . . 2.450 2.265 2.199 2.452 0.002 14 0 "[ . 1 . 2]" 1
923 1 38 PRO HA 1 39 VAL HB . . 4.570 4.271 4.142 4.359 . 0 0 "[ . 1 . 2]" 1
924 1 38 PRO HA 1 39 VAL MG1 . . 4.210 4.082 3.903 4.216 0.006 7 0 "[ . 1 . 2]" 1
925 1 38 PRO HA 1 39 VAL MG2 . . 5.460 5.355 5.290 5.411 . 0 0 "[ . 1 . 2]" 1
926 1 38 PRO QB 1 39 VAL H . . 3.270 2.888 2.425 3.072 . 0 0 "[ . 1 . 2]" 1
927 1 38 PRO HB2 1 39 VAL H . . 3.830 3.022 2.484 3.241 . 0 0 "[ . 1 . 2]" 1
928 1 38 PRO HB3 1 39 VAL H . . 3.830 3.684 3.389 3.810 . 0 0 "[ . 1 . 2]" 1
929 1 38 PRO QG 1 39 VAL H . . 4.630 4.411 4.077 4.534 . 0 0 "[ . 1 . 2]" 1
930 1 38 PRO HG2 1 39 VAL H . . 5.500 4.692 4.323 4.828 . 0 0 "[ . 1 . 2]" 1
931 1 38 PRO HG3 1 39 VAL H . . 5.500 5.362 4.993 5.502 0.002 4 0 "[ . 1 . 2]" 1
932 1 39 VAL H 1 39 VAL HB . . 3.150 2.855 2.629 3.075 . 0 0 "[ . 1 . 2]" 1
933 1 39 VAL H 1 39 VAL MG1 . . 3.100 2.295 2.159 2.437 . 0 0 "[ . 1 . 2]" 1
934 1 39 VAL H 1 39 VAL MG2 . . 4.060 3.903 3.829 3.992 . 0 0 "[ . 1 . 2]" 1
935 1 39 VAL H 1 40 HIS H . . 4.580 4.492 4.397 4.562 . 0 0 "[ . 1 . 2]" 1
936 1 39 VAL H 1 82 VAL MG2 . . 5.500 5.191 4.774 5.479 . 0 0 "[ . 1 . 2]" 1
937 1 39 VAL HA 1 39 VAL MG1 . . 3.270 3.182 3.172 3.195 . 0 0 "[ . 1 . 2]" 1
938 1 39 VAL HA 1 39 VAL MG2 . . 3.200 2.185 2.060 2.315 . 0 0 "[ . 1 . 2]" 1
939 1 39 VAL HA 1 40 HIS H . . 2.740 2.323 2.240 2.424 . 0 0 "[ . 1 . 2]" 1
940 1 39 VAL HA 1 81 GLU H . . 5.500 5.461 5.218 5.523 0.023 4 0 "[ . 1 . 2]" 1
941 1 39 VAL HA 1 82 VAL HB . . 5.300 4.542 4.072 4.911 . 0 0 "[ . 1 . 2]" 1
942 1 39 VAL HA 1 82 VAL MG2 . . 3.670 3.319 3.088 3.566 . 0 0 "[ . 1 . 2]" 1
943 1 39 VAL HB 1 40 HIS H . . 4.110 4.007 3.858 4.121 0.011 2 0 "[ . 1 . 2]" 1
944 1 39 VAL HB 1 41 TRP HE1 . . 4.770 4.392 4.125 4.654 . 0 0 "[ . 1 . 2]" 1
945 1 39 VAL HB 1 80 CYS HG . . 4.760 4.462 4.178 4.760 0.000 4 0 "[ . 1 . 2]" 1
946 1 39 VAL HB 1 82 VAL MG2 . . 4.540 4.201 4.000 4.548 0.008 7 0 "[ . 1 . 2]" 1
947 1 39 VAL MG1 1 40 HIS H . . 3.690 3.238 2.985 3.521 . 0 0 "[ . 1 . 2]" 1
948 1 39 VAL MG1 1 40 HIS HA . . 4.730 3.564 3.336 3.817 . 0 0 "[ . 1 . 2]" 1
949 1 39 VAL MG1 1 41 TRP H . . 4.510 3.355 2.626 3.897 . 0 0 "[ . 1 . 2]" 1
950 1 39 VAL MG1 1 41 TRP HB2 . . 5.500 4.361 4.044 4.701 . 0 0 "[ . 1 . 2]" 1
951 1 39 VAL MG1 1 41 TRP HD1 . . 4.070 2.507 2.253 2.769 . 0 0 "[ . 1 . 2]" 1
952 1 39 VAL MG1 1 41 TRP HE1 . . 3.520 1.964 1.781 2.236 . 0 0 "[ . 1 . 2]" 1
953 1 39 VAL MG1 1 41 TRP HZ2 . . 4.710 3.311 2.769 3.922 . 0 0 "[ . 1 . 2]" 1
954 1 39 VAL MG1 1 58 CYS QB . . 4.400 3.979 3.334 4.355 . 0 0 "[ . 1 . 2]" 1
955 1 39 VAL MG1 1 63 ALA HA . . 4.940 4.571 4.015 4.939 . 0 0 "[ . 1 . 2]" 1
956 1 39 VAL MG1 1 63 ALA MB . . 3.010 2.589 2.053 3.029 0.019 4 0 "[ . 1 . 2]" 1
957 1 39 VAL MG1 1 80 CYS HG . . 3.840 3.103 2.597 3.829 . 0 0 "[ . 1 . 2]" 1
958 1 39 VAL MG1 1 81 GLU H . . 5.500 5.396 5.018 5.511 0.011 7 0 "[ . 1 . 2]" 1
959 1 39 VAL MG2 1 40 HIS H . . 3.490 2.000 1.886 2.246 . 0 0 "[ . 1 . 2]" 1
960 1 39 VAL MG2 1 40 HIS HA . . 4.550 3.987 3.824 4.098 . 0 0 "[ . 1 . 2]" 1
961 1 39 VAL MG2 1 40 HIS HB2 . . 4.830 4.348 4.176 4.481 . 0 0 "[ . 1 . 2]" 1
962 1 39 VAL MG2 1 41 TRP HD1 . . 4.550 4.247 3.917 4.552 0.002 11 0 "[ . 1 . 2]" 1
963 1 39 VAL MG2 1 41 TRP HE1 . . 4.000 3.734 3.212 4.004 0.004 19 0 "[ . 1 . 2]" 1
964 1 39 VAL MG2 1 41 TRP HZ2 . . 4.260 4.003 3.649 4.256 . 0 0 "[ . 1 . 2]" 1
965 1 39 VAL MG2 1 63 ALA MB . . 3.440 3.052 2.707 3.396 . 0 0 "[ . 1 . 2]" 1
966 1 39 VAL MG2 1 80 CYS HA . . 4.860 3.018 2.503 3.478 . 0 0 "[ . 1 . 2]" 1
967 1 39 VAL MG2 1 80 CYS HG . . 3.310 1.991 1.818 2.301 . 0 0 "[ . 1 . 2]" 1
968 1 39 VAL MG2 1 81 GLU H . . 4.570 3.717 3.398 3.984 . 0 0 "[ . 1 . 2]" 1
969 1 39 VAL MG2 1 82 VAL HA . . 4.670 3.500 2.980 3.969 . 0 0 "[ . 1 . 2]" 1
970 1 39 VAL MG2 1 82 VAL HB . . 4.130 3.555 3.041 4.109 . 0 0 "[ . 1 . 2]" 1
971 1 40 HIS H 1 40 HIS HB2 . . 3.520 2.728 2.535 2.898 . 0 0 "[ . 1 . 2]" 1
972 1 40 HIS H 1 40 HIS HB3 . . 3.870 2.935 2.819 3.033 . 0 0 "[ . 1 . 2]" 1
973 1 40 HIS H 1 40 HIS HD2 . . 5.100 4.984 4.850 5.088 . 0 0 "[ . 1 . 2]" 1
974 1 40 HIS H 1 41 TRP H . . 4.590 4.052 3.544 4.219 . 0 0 "[ . 1 . 2]" 1
975 1 40 HIS H 1 80 CYS HA . . 4.500 3.841 3.254 4.211 . 0 0 "[ . 1 . 2]" 1
976 1 40 HIS H 1 81 GLU H . . 3.590 3.377 3.112 3.476 . 0 0 "[ . 1 . 2]" 1
977 1 40 HIS H 1 81 GLU HB2 . . 5.090 4.836 4.573 5.073 . 0 0 "[ . 1 . 2]" 1
978 1 40 HIS H 1 81 GLU HB3 . . 4.370 3.900 3.553 4.175 . 0 0 "[ . 1 . 2]" 1
979 1 40 HIS H 1 82 VAL HA . . 4.120 3.720 3.412 4.122 0.002 6 0 "[ . 1 . 2]" 1
980 1 40 HIS HA 1 40 HIS HD2 . . 4.710 2.407 2.088 2.742 . 0 0 "[ . 1 . 2]" 1
981 1 40 HIS HA 1 41 TRP H . . 2.730 2.181 2.140 2.342 . 0 0 "[ . 1 . 2]" 1
982 1 40 HIS HA 1 41 TRP HA . . 5.080 4.433 4.393 4.551 . 0 0 "[ . 1 . 2]" 1
983 1 40 HIS HA 1 41 TRP HB2 . . 4.760 4.571 4.523 4.625 . 0 0 "[ . 1 . 2]" 1
984 1 40 HIS HA 1 41 TRP HD1 . . 4.280 4.141 3.782 4.293 0.013 13 0 "[ . 1 . 2]" 1
985 1 40 HIS HB2 1 42 LEU MD1 . . 4.980 4.640 4.465 4.835 . 0 0 "[ . 1 . 2]" 1
986 1 40 HIS HB2 1 42 LEU MD2 . . 5.500 5.157 4.834 5.505 0.005 20 0 "[ . 1 . 2]" 1
987 1 40 HIS HB2 1 81 GLU H . . 4.420 4.166 3.885 4.420 0.000 1 0 "[ . 1 . 2]" 1
988 1 40 HIS HB2 1 81 GLU HB2 . . 4.440 4.298 3.910 4.461 0.021 16 0 "[ . 1 . 2]" 1
989 1 40 HIS HB2 1 81 GLU HB3 . . 4.200 2.831 2.478 2.969 . 0 0 "[ . 1 . 2]" 1
990 1 40 HIS HB3 1 41 TRP H . . 4.370 4.222 4.082 4.347 . 0 0 "[ . 1 . 2]" 1
991 1 40 HIS HB3 1 42 LEU MD1 . . 4.150 3.247 2.944 3.474 . 0 0 "[ . 1 . 2]" 1
992 1 40 HIS HB3 1 42 LEU MD2 . . 4.610 4.149 3.833 4.489 . 0 0 "[ . 1 . 2]" 1
993 1 40 HIS HB3 1 81 GLU H . . 5.040 2.761 2.409 3.063 . 0 0 "[ . 1 . 2]" 1
994 1 40 HIS HB3 1 81 GLU HB2 . . 4.560 2.877 2.614 3.127 . 0 0 "[ . 1 . 2]" 1
995 1 40 HIS HB3 1 81 GLU HB3 . . 4.760 1.994 1.956 2.033 . 0 0 "[ . 1 . 2]" 1
996 1 40 HIS HD2 1 42 LEU MD2 . . 4.620 3.653 2.901 4.621 0.001 2 0 "[ . 1 . 2]" 1
997 1 40 HIS HD2 1 81 GLU HB3 . . 5.500 5.406 5.134 5.553 0.053 7 0 "[ . 1 . 2]" 1
998 1 40 HIS HE1 1 42 LEU MD1 . . 5.500 4.671 3.432 5.440 . 0 0 "[ . 1 . 2]" 1
999 1 41 TRP H 1 41 TRP HB2 . . 3.280 2.423 2.362 2.476 . 0 0 "[ . 1 . 2]" 1
1000 1 41 TRP H 1 41 TRP HB3 . . 3.670 3.615 3.588 3.659 . 0 0 "[ . 1 . 2]" 1
1001 1 41 TRP H 1 41 TRP HD1 . . 3.620 2.705 2.459 2.911 . 0 0 "[ . 1 . 2]" 1
1002 1 41 TRP H 1 41 TRP HE1 . . 5.010 4.872 4.532 5.004 . 0 0 "[ . 1 . 2]" 1
1003 1 41 TRP H 1 42 LEU H . . 4.570 4.361 4.262 4.438 . 0 0 "[ . 1 . 2]" 1
1004 1 41 TRP H 1 48 ILE H . . 4.730 4.459 4.214 4.712 . 0 0 "[ . 1 . 2]" 1
1005 1 41 TRP H 1 48 ILE HB . . 4.620 4.154 3.827 4.414 . 0 0 "[ . 1 . 2]" 1
1006 1 41 TRP H 1 48 ILE MD . . 4.770 4.601 4.219 4.772 0.002 9 0 "[ . 1 . 2]" 1
1007 1 41 TRP HA 1 41 TRP HE3 . . 4.010 3.038 2.851 3.254 . 0 0 "[ . 1 . 2]" 1
1008 1 41 TRP HA 1 42 LEU H . . 2.870 2.150 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
1009 1 41 TRP HA 1 42 LEU MD1 . . 4.810 4.676 4.593 4.768 . 0 0 "[ . 1 . 2]" 1
1010 1 41 TRP HA 1 42 LEU HG . . 4.230 3.963 3.847 4.174 . 0 0 "[ . 1 . 2]" 1
1011 1 41 TRP HA 1 48 ILE MD . . 4.710 3.659 3.198 3.878 . 0 0 "[ . 1 . 2]" 1
1012 1 41 TRP HA 1 65 LEU MD2 . . 5.500 4.368 4.081 4.657 . 0 0 "[ . 1 . 2]" 1
1013 1 41 TRP HA 1 79 THR H . . 5.120 4.619 4.230 4.979 . 0 0 "[ . 1 . 2]" 1
1014 1 41 TRP HA 1 80 CYS HA . . 3.560 2.984 2.624 3.258 . 0 0 "[ . 1 . 2]" 1
1015 1 41 TRP HA 1 81 GLU H . . 4.120 4.021 3.824 4.151 0.031 13 0 "[ . 1 . 2]" 1
1016 1 41 TRP HB2 1 42 LEU H . . 4.820 4.400 4.294 4.467 . 0 0 "[ . 1 . 2]" 1
1017 1 41 TRP HB2 1 48 ILE HB . . 3.890 2.365 2.010 2.632 . 0 0 "[ . 1 . 2]" 1
1018 1 41 TRP HB2 1 48 ILE MD . . 3.560 2.785 2.292 3.029 . 0 0 "[ . 1 . 2]" 1
1019 1 41 TRP HB2 1 48 ILE HG12 . . 5.040 4.904 4.621 5.041 0.001 14 0 "[ . 1 . 2]" 1
1020 1 41 TRP HB2 1 48 ILE HG13 . . 4.400 3.923 3.601 4.310 . 0 0 "[ . 1 . 2]" 1
1021 1 41 TRP HB2 1 48 ILE MG . . 4.140 3.482 2.966 3.859 . 0 0 "[ . 1 . 2]" 1
1022 1 41 TRP HB2 1 56 VAL QG . . 5.160 3.872 3.428 4.351 . 0 0 "[ . 1 . 2]" 1
1023 1 41 TRP HB2 1 65 LEU MD1 . . 3.850 3.579 3.261 3.801 . 0 0 "[ . 1 . 2]" 1
1024 1 41 TRP HB2 1 65 LEU MD2 . . 4.160 3.627 3.170 4.156 . 0 0 "[ . 1 . 2]" 1
1025 1 41 TRP HB3 1 42 LEU H . . 3.850 3.638 3.474 3.788 . 0 0 "[ . 1 . 2]" 1
1026 1 41 TRP HB3 1 48 ILE HB . . 4.200 3.103 2.690 3.735 . 0 0 "[ . 1 . 2]" 1
1027 1 41 TRP HB3 1 48 ILE MD . . 3.480 1.988 1.813 2.098 . 0 0 "[ . 1 . 2]" 1
1028 1 41 TRP HB3 1 48 ILE HG12 . . 4.800 4.618 4.242 4.821 0.021 4 0 "[ . 1 . 2]" 1
1029 1 41 TRP HB3 1 48 ILE HG13 . . 4.590 3.757 3.274 4.254 . 0 0 "[ . 1 . 2]" 1
1030 1 41 TRP HB3 1 48 ILE MG . . 4.370 3.712 3.234 4.212 . 0 0 "[ . 1 . 2]" 1
1031 1 41 TRP HB3 1 65 LEU MD1 . . 4.250 3.473 3.031 3.830 . 0 0 "[ . 1 . 2]" 1
1032 1 41 TRP HB3 1 65 LEU MD2 . . 4.040 2.600 2.188 2.916 . 0 0 "[ . 1 . 2]" 1
1033 1 41 TRP HD1 1 48 ILE HB . . 5.160 4.648 4.444 4.871 . 0 0 "[ . 1 . 2]" 1
1034 1 41 TRP HD1 1 48 ILE MG . . 5.500 5.016 4.568 5.401 . 0 0 "[ . 1 . 2]" 1
1035 1 41 TRP HD1 1 56 VAL MG1 . . 3.710 2.977 2.349 3.721 0.011 13 0 "[ . 1 . 2]" 1
1036 1 41 TRP HD1 1 56 VAL QG . . 3.070 2.483 2.174 2.865 . 0 0 "[ . 1 . 2]" 1
1037 1 41 TRP HD1 1 56 VAL MG2 . . 3.710 2.762 2.242 3.348 . 0 0 "[ . 1 . 2]" 1
1038 1 41 TRP HD1 1 65 LEU MD1 . . 3.930 3.606 3.296 3.898 . 0 0 "[ . 1 . 2]" 1
1039 1 41 TRP HD1 1 65 LEU MD2 . . 5.500 4.537 3.994 5.020 . 0 0 "[ . 1 . 2]" 1
1040 1 41 TRP HE1 1 56 VAL HA . . 4.820 3.974 3.684 4.408 . 0 0 "[ . 1 . 2]" 1
1041 1 41 TRP HE1 1 56 VAL QG . . 3.380 2.103 1.858 2.649 . 0 0 "[ . 1 . 2]" 1
1042 1 41 TRP HE1 1 57 VAL H . . 5.190 4.822 4.415 5.188 . 0 0 "[ . 1 . 2]" 1
1043 1 41 TRP HE1 1 63 ALA MB . . 3.890 3.369 2.923 3.888 . 0 0 "[ . 1 . 2]" 1
1044 1 41 TRP HE1 1 64 MET H . . 5.460 5.101 4.519 5.468 0.008 4 0 "[ . 1 . 2]" 1
1045 1 41 TRP HE1 1 80 CYS HG . . 4.750 4.225 3.647 4.734 . 0 0 "[ . 1 . 2]" 1
1046 1 41 TRP HE3 1 42 LEU H . . 4.320 4.115 3.921 4.321 0.001 11 0 "[ . 1 . 2]" 1
1047 1 41 TRP HE3 1 48 ILE MD . . 4.690 3.510 3.093 3.806 . 0 0 "[ . 1 . 2]" 1
1048 1 41 TRP HE3 1 65 LEU MD2 . . 3.880 2.387 2.118 2.588 . 0 0 "[ . 1 . 2]" 1
1049 1 41 TRP HE3 1 78 TYR HB3 . . 4.970 2.706 2.056 3.367 . 0 0 "[ . 1 . 2]" 1
1050 1 41 TRP HE3 1 80 CYS HA . . 4.890 4.466 4.017 4.820 . 0 0 "[ . 1 . 2]" 1
1051 1 41 TRP HH2 1 64 MET HA . . 4.860 3.766 3.399 4.033 . 0 0 "[ . 1 . 2]" 1
1052 1 41 TRP HH2 1 65 LEU H . . 4.640 3.717 3.148 4.154 . 0 0 "[ . 1 . 2]" 1
1053 1 41 TRP HZ2 1 56 VAL QG . . 5.270 4.009 3.616 4.513 . 0 0 "[ . 1 . 2]" 1
1054 1 41 TRP HZ2 1 63 ALA MB . . 3.390 2.683 2.274 3.152 . 0 0 "[ . 1 . 2]" 1
1055 1 41 TRP HZ2 1 64 MET H . . 4.320 3.986 3.655 4.259 . 0 0 "[ . 1 . 2]" 1
1056 1 41 TRP HZ2 1 64 MET HA . . 3.860 3.520 3.029 3.859 . 0 0 "[ . 1 . 2]" 1
1057 1 41 TRP HZ2 1 65 LEU H . . 4.220 3.945 3.589 4.225 0.005 13 0 "[ . 1 . 2]" 1
1058 1 41 TRP HZ2 1 65 LEU HB2 . . 5.330 3.021 2.839 3.455 . 0 0 "[ . 1 . 2]" 1
1059 1 41 TRP HZ2 1 65 LEU QB . . 4.560 2.931 2.751 3.287 . 0 0 "[ . 1 . 2]" 1
1060 1 41 TRP HZ2 1 65 LEU HB3 . . 5.330 3.992 3.417 4.311 . 0 0 "[ . 1 . 2]" 1
1061 1 41 TRP HZ3 1 65 LEU MD1 . . 5.500 5.044 4.564 5.460 . 0 0 "[ . 1 . 2]" 1
1062 1 41 TRP HZ3 1 65 LEU MD2 . . 4.150 2.899 2.430 3.245 . 0 0 "[ . 1 . 2]" 1
1063 1 42 LEU H 1 42 LEU HB2 . . 3.500 2.590 2.506 2.639 . 0 0 "[ . 1 . 2]" 1
1064 1 42 LEU H 1 42 LEU HB3 . . 4.180 3.727 3.688 3.760 . 0 0 "[ . 1 . 2]" 1
1065 1 42 LEU H 1 42 LEU MD1 . . 3.580 3.457 3.349 3.546 . 0 0 "[ . 1 . 2]" 1
1066 1 42 LEU H 1 42 LEU MD2 . . 4.360 4.064 3.954 4.223 . 0 0 "[ . 1 . 2]" 1
1067 1 42 LEU H 1 42 LEU HG . . 3.980 2.804 2.630 3.035 . 0 0 "[ . 1 . 2]" 1
1068 1 42 LEU H 1 43 LYS H . . 4.910 4.351 4.229 4.469 . 0 0 "[ . 1 . 2]" 1
1069 1 42 LEU H 1 48 ILE MD . . 4.360 3.536 3.003 3.861 . 0 0 "[ . 1 . 2]" 1
1070 1 42 LEU H 1 48 ILE HG13 . . 4.990 4.338 3.989 4.633 . 0 0 "[ . 1 . 2]" 1
1071 1 42 LEU H 1 78 TYR HA . . 4.620 4.133 3.590 4.443 . 0 0 "[ . 1 . 2]" 1
1072 1 42 LEU H 1 79 THR H . . 3.490 2.986 2.727 3.332 . 0 0 "[ . 1 . 2]" 1
1073 1 42 LEU H 1 79 THR HB . . 4.180 3.548 3.406 3.713 . 0 0 "[ . 1 . 2]" 1
1074 1 42 LEU H 1 79 THR MG . . 4.440 4.296 4.119 4.445 0.005 6 0 "[ . 1 . 2]" 1
1075 1 42 LEU H 1 80 CYS HA . . 4.630 3.730 3.438 3.921 . 0 0 "[ . 1 . 2]" 1
1076 1 42 LEU H 1 81 GLU H . . 5.140 4.085 3.881 4.274 . 0 0 "[ . 1 . 2]" 1
1077 1 42 LEU HA 1 42 LEU MD1 . . 4.120 3.941 3.912 3.964 . 0 0 "[ . 1 . 2]" 1
1078 1 42 LEU HA 1 42 LEU MD2 . . 3.430 2.532 2.393 2.640 . 0 0 "[ . 1 . 2]" 1
1079 1 42 LEU HA 1 42 LEU HG . . 3.630 2.871 2.782 2.932 . 0 0 "[ . 1 . 2]" 1
1080 1 42 LEU HA 1 43 LYS H . . 2.790 2.149 2.138 2.230 . 0 0 "[ . 1 . 2]" 1
1081 1 42 LEU HA 1 46 LYS H . . 4.360 3.635 3.405 3.966 . 0 0 "[ . 1 . 2]" 1
1082 1 42 LEU HA 1 47 ALA HA . . 3.370 2.888 2.583 3.333 . 0 0 "[ . 1 . 2]" 1
1083 1 42 LEU HA 1 48 ILE H . . 3.470 2.999 2.655 3.271 . 0 0 "[ . 1 . 2]" 1
1084 1 42 LEU HA 1 48 ILE MD . . 4.340 3.355 2.742 3.656 . 0 0 "[ . 1 . 2]" 1
1085 1 42 LEU HA 1 48 ILE HG12 . . 4.290 4.171 3.672 4.294 0.004 1 0 "[ . 1 . 2]" 1
1086 1 42 LEU HA 1 48 ILE HG13 . . 4.200 2.594 2.046 2.788 . 0 0 "[ . 1 . 2]" 1
1087 1 42 LEU HB2 1 43 LYS H . . 4.350 4.197 3.922 4.311 . 0 0 "[ . 1 . 2]" 1
1088 1 42 LEU HB2 1 45 ARG HA . . 4.690 4.550 4.313 4.692 0.002 1 0 "[ . 1 . 2]" 1
1089 1 42 LEU HB2 1 46 LYS H . . 4.880 4.412 4.040 4.872 . 0 0 "[ . 1 . 2]" 1
1090 1 42 LEU HB2 1 79 THR H . . 3.820 2.987 2.826 3.166 . 0 0 "[ . 1 . 2]" 1
1091 1 42 LEU HB2 1 79 THR HA . . 5.090 4.677 4.549 4.750 . 0 0 "[ . 1 . 2]" 1
1092 1 42 LEU HB2 1 79 THR HB . . 3.240 1.999 1.986 2.040 . 0 0 "[ . 1 . 2]" 1
1093 1 42 LEU HB2 1 79 THR MG . . 3.750 3.349 3.106 3.535 . 0 0 "[ . 1 . 2]" 1
1094 1 42 LEU HB3 1 43 LYS H . . 3.670 3.360 2.886 3.565 . 0 0 "[ . 1 . 2]" 1
1095 1 42 LEU HB3 1 43 LYS HA . . 5.030 4.744 4.567 4.860 . 0 0 "[ . 1 . 2]" 1
1096 1 42 LEU HB3 1 45 ARG HA . . 4.340 3.305 3.091 3.399 . 0 0 "[ . 1 . 2]" 1
1097 1 42 LEU HB3 1 46 LYS H . . 3.750 2.847 2.466 3.303 . 0 0 "[ . 1 . 2]" 1
1098 1 42 LEU HB3 1 47 ALA HA . . 4.650 4.230 4.052 4.415 . 0 0 "[ . 1 . 2]" 1
1099 1 42 LEU HB3 1 79 THR H . . 4.500 4.323 4.162 4.500 . 17 0 "[ . 1 . 2]" 1
1100 1 42 LEU HB3 1 79 THR HB . . 3.930 3.536 3.424 3.659 . 0 0 "[ . 1 . 2]" 1
1101 1 42 LEU HB3 1 79 THR MG . . 4.880 4.574 4.309 4.772 . 0 0 "[ . 1 . 2]" 1
1102 1 42 LEU MD1 1 45 ARG H . . 5.230 4.830 4.398 5.212 . 0 0 "[ . 1 . 2]" 1
1103 1 42 LEU MD1 1 45 ARG HA . . 4.380 4.128 3.676 4.366 . 0 0 "[ . 1 . 2]" 1
1104 1 42 LEU MD1 1 47 ALA HA . . 4.850 4.768 4.592 4.855 0.005 16 0 "[ . 1 . 2]" 1
1105 1 42 LEU MD1 1 79 THR H . . 4.370 4.283 4.143 4.379 0.009 12 0 "[ . 1 . 2]" 1
1106 1 42 LEU MD1 1 79 THR HB . . 3.280 2.529 2.215 2.782 . 0 0 "[ . 1 . 2]" 1
1107 1 42 LEU MD1 1 79 THR MG . . 3.100 2.283 1.948 2.561 . 0 0 "[ . 1 . 2]" 1
1108 1 42 LEU MD1 1 80 CYS HA . . 4.640 4.481 4.122 4.646 0.006 13 0 "[ . 1 . 2]" 1
1109 1 42 LEU MD1 1 81 GLU H . . 4.260 3.070 2.692 3.352 . 0 0 "[ . 1 . 2]" 1
1110 1 42 LEU MD1 1 81 GLU HB2 . . 3.780 2.142 2.010 2.496 . 0 0 "[ . 1 . 2]" 1
1111 1 42 LEU MD1 1 81 GLU HB3 . . 4.040 3.167 2.765 3.645 . 0 0 "[ . 1 . 2]" 1
1112 1 42 LEU MD1 1 81 GLU HG2 . . 4.440 4.441 4.372 4.464 0.024 16 0 "[ . 1 . 2]" 1
1113 1 42 LEU MD1 1 81 GLU HG3 . . 4.250 3.515 3.317 3.748 . 0 0 "[ . 1 . 2]" 1
1114 1 42 LEU MD1 1 86 LYS QD . . 4.780 3.857 3.702 4.279 . 0 0 "[ . 1 . 2]" 1
1115 1 42 LEU MD1 1 86 LYS QE . . 5.340 5.157 3.731 5.360 0.020 20 0 "[ . 1 . 2]" 1
1116 1 42 LEU MD2 1 43 LYS H . . 4.020 3.907 3.546 4.031 0.011 7 0 "[ . 1 . 2]" 1
1117 1 42 LEU MD2 1 45 ARG H . . 4.880 4.643 4.413 4.790 . 0 0 "[ . 1 . 2]" 1
1118 1 42 LEU MD2 1 45 ARG HA . . 3.720 3.666 3.462 3.727 0.007 4 0 "[ . 1 . 2]" 1
1119 1 42 LEU MD2 1 45 ARG HB3 . . 5.350 5.255 5.109 5.348 . 0 0 "[ . 1 . 2]" 1
1120 1 42 LEU MD2 1 46 LYS H . . 3.980 3.403 3.047 3.725 . 0 0 "[ . 1 . 2]" 1
1121 1 42 LEU MD2 1 46 LYS HA . . 3.980 3.859 3.648 3.985 0.005 8 0 "[ . 1 . 2]" 1
1122 1 42 LEU MD2 1 46 LYS QB . . 4.990 4.656 4.328 4.827 . 0 0 "[ . 1 . 2]" 1
1123 1 42 LEU MD2 1 47 ALA H . . 3.930 3.302 3.014 3.916 . 0 0 "[ . 1 . 2]" 1
1124 1 42 LEU MD2 1 47 ALA HA . . 3.200 2.072 1.964 2.374 . 0 0 "[ . 1 . 2]" 1
1125 1 42 LEU MD2 1 47 ALA MB . . 3.510 2.767 2.533 2.984 . 0 0 "[ . 1 . 2]" 1
1126 1 42 LEU MD2 1 48 ILE H . . 4.160 3.561 3.143 3.875 . 0 0 "[ . 1 . 2]" 1
1127 1 42 LEU MD2 1 79 THR HB . . 4.810 4.548 4.403 4.621 . 0 0 "[ . 1 . 2]" 1
1128 1 42 LEU MD2 1 81 GLU HB2 . . 4.650 4.409 4.261 4.630 . 0 0 "[ . 1 . 2]" 1
1129 1 42 LEU MD2 1 81 GLU HB3 . . 5.470 4.785 4.388 5.089 . 0 0 "[ . 1 . 2]" 1
1130 1 42 LEU HG 1 43 LYS H . . 5.110 4.942 4.829 4.997 . 0 0 "[ . 1 . 2]" 1
1131 1 42 LEU HG 1 47 ALA HA . . 3.920 3.852 3.666 3.941 0.021 20 0 "[ . 1 . 2]" 1
1132 1 42 LEU HG 1 48 ILE H . . 4.720 4.512 4.132 4.716 . 0 0 "[ . 1 . 2]" 1
1133 1 42 LEU HG 1 79 THR H . . 5.270 5.067 4.776 5.268 . 0 0 "[ . 1 . 2]" 1
1134 1 42 LEU HG 1 79 THR HB . . 4.850 4.165 3.867 4.340 . 0 0 "[ . 1 . 2]" 1
1135 1 42 LEU HG 1 81 GLU H . . 4.660 3.961 3.727 4.220 . 0 0 "[ . 1 . 2]" 1
1136 1 43 LYS H 1 43 LYS HB2 . . 3.590 2.874 2.550 3.160 . 0 0 "[ . 1 . 2]" 1
1137 1 43 LYS H 1 43 LYS QB . . 3.070 2.400 2.339 2.528 . 0 0 "[ . 1 . 2]" 1
1138 1 43 LYS H 1 43 LYS HB3 . . 3.590 2.623 2.418 2.921 . 0 0 "[ . 1 . 2]" 1
1139 1 43 LYS H 1 46 LYS H . . 3.450 2.849 2.574 3.000 . 0 0 "[ . 1 . 2]" 1
1140 1 43 LYS H 1 46 LYS QB . . 4.170 3.348 2.894 3.779 . 0 0 "[ . 1 . 2]" 1
1141 1 43 LYS H 1 47 ALA HA . . 4.540 4.103 3.811 4.452 . 0 0 "[ . 1 . 2]" 1
1142 1 43 LYS H 1 47 ALA MB . . 5.500 5.316 5.091 5.527 0.027 14 0 "[ . 1 . 2]" 1
1143 1 43 LYS H 1 48 ILE H . . 4.320 3.933 3.618 4.189 . 0 0 "[ . 1 . 2]" 1
1144 1 43 LYS H 1 48 ILE MD . . 4.060 3.027 2.579 3.304 . 0 0 "[ . 1 . 2]" 1
1145 1 43 LYS H 1 48 ILE HG12 . . 3.990 3.222 2.868 3.377 . 0 0 "[ . 1 . 2]" 1
1146 1 43 LYS H 1 48 ILE HG13 . . 4.570 2.491 2.331 2.635 . 0 0 "[ . 1 . 2]" 1
1147 1 43 LYS H 1 48 ILE MG . . 5.030 4.970 4.738 5.034 0.004 12 0 "[ . 1 . 2]" 1
1148 1 43 LYS HA 1 43 LYS QD . . 5.100 3.527 2.367 4.147 . 0 0 "[ . 1 . 2]" 1
1149 1 43 LYS HA 1 43 LYS HG2 . . 3.840 3.027 2.231 3.873 0.033 16 0 "[ . 1 . 2]" 1
1150 1 43 LYS HA 1 43 LYS HG3 . . 3.840 2.881 2.406 3.563 . 0 0 "[ . 1 . 2]" 1
1151 1 43 LYS HA 1 44 ASP H . . 3.240 2.187 2.143 2.274 . 0 0 "[ . 1 . 2]" 1
1152 1 43 LYS HA 1 44 ASP HA . . 4.410 4.386 4.365 4.412 0.002 14 0 "[ . 1 . 2]" 1
1153 1 43 LYS HA 1 44 ASP QB . . 5.340 4.120 3.918 4.419 . 0 0 "[ . 1 . 2]" 1
1154 1 43 LYS HA 1 45 ARG H . . 4.820 4.221 3.942 4.440 . 0 0 "[ . 1 . 2]" 1
1155 1 43 LYS HA 1 48 ILE MD . . 4.440 3.415 3.003 3.745 . 0 0 "[ . 1 . 2]" 1
1156 1 43 LYS HA 1 77 GLU QB . . 5.340 4.503 4.167 4.839 . 0 0 "[ . 1 . 2]" 1
1157 1 43 LYS HA 1 78 TYR HA . . 3.540 2.974 2.684 3.220 . 0 0 "[ . 1 . 2]" 1
1158 1 43 LYS HA 1 78 TYR HB3 . . 5.500 5.202 4.798 5.504 0.004 15 0 "[ . 1 . 2]" 1
1159 1 43 LYS HA 1 79 THR H . . 4.020 3.851 3.676 4.020 0.000 8 0 "[ . 1 . 2]" 1
1160 1 43 LYS QB 1 48 ILE MD . . 3.500 1.957 1.793 2.275 . 0 0 "[ . 1 . 2]" 1
1161 1 43 LYS QB 1 48 ILE HG12 . . 4.090 2.433 1.967 2.732 . 0 0 "[ . 1 . 2]" 1
1162 1 43 LYS QB 1 78 TYR HA . . 5.340 4.246 3.883 4.573 . 0 0 "[ . 1 . 2]" 1
1163 1 43 LYS QB 1 78 TYR QD . . 5.340 3.728 2.884 4.513 . 0 0 "[ . 1 . 2]" 1
1164 1 43 LYS QB 1 78 TYR QE . . 4.700 3.427 2.523 4.184 . 0 0 "[ . 1 . 2]" 1
1165 1 43 LYS HB2 1 48 ILE MD . . 4.020 1.980 1.808 2.302 . 0 0 "[ . 1 . 2]" 1
1166 1 43 LYS HB2 1 48 ILE HG12 . . 4.690 2.721 2.003 3.419 . 0 0 "[ . 1 . 2]" 1
1167 1 43 LYS HB3 1 48 ILE MD . . 4.020 3.144 2.682 3.551 . 0 0 "[ . 1 . 2]" 1
1168 1 43 LYS HB3 1 48 ILE HG12 . . 4.690 2.893 2.453 3.532 . 0 0 "[ . 1 . 2]" 1
1169 1 43 LYS QD 1 48 ILE MD . . 4.690 3.332 2.820 4.610 . 0 0 "[ . 1 . 2]" 1
1170 1 43 LYS QD 1 76 GLY QA . . 5.180 3.858 2.373 4.840 . 0 0 "[ . 1 . 2]" 1
1171 1 43 LYS QD 1 78 TYR QE . . 4.720 3.416 2.527 4.716 . 0 0 "[ . 1 . 2]" 1
1172 1 43 LYS HD2 1 78 TYR QE . . 5.500 3.834 2.643 5.470 . 0 0 "[ . 1 . 2]" 1
1173 1 43 LYS HD3 1 78 TYR QE . . 5.500 4.408 2.549 5.505 0.005 12 0 "[ . 1 . 2]" 1
1174 1 43 LYS QE 1 43 LYS QG . . 3.070 2.206 2.021 2.357 . 0 0 "[ . 1 . 2]" 1
1175 1 43 LYS QE 1 74 ASP HA . . 3.390 2.921 2.224 3.345 . 0 0 "[ . 1 . 2]" 1
1176 1 43 LYS QE 1 76 GLY QA . . 3.680 2.821 2.150 3.336 . 0 0 "[ . 1 . 2]" 1
1177 1 43 LYS QE 1 77 GLU H . . 4.800 4.568 4.231 4.800 . 18 0 "[ . 1 . 2]" 1
1178 1 43 LYS QE 1 78 TYR QE . . 4.440 3.677 2.652 4.361 . 0 0 "[ . 1 . 2]" 1
1179 1 43 LYS HE2 1 43 LYS HG2 . . 4.050 2.999 2.345 3.852 . 0 0 "[ . 1 . 2]" 1
1180 1 43 LYS HE2 1 43 LYS HG3 . . 4.050 3.013 2.360 3.939 . 0 0 "[ . 1 . 2]" 1
1181 1 43 LYS HE2 1 74 ASP HA . . 4.210 3.683 3.107 4.104 . 0 0 "[ . 1 . 2]" 1
1182 1 43 LYS HE3 1 43 LYS HG2 . . 4.050 3.206 2.218 3.763 . 0 0 "[ . 1 . 2]" 1
1183 1 43 LYS HE3 1 43 LYS HG3 . . 4.050 3.144 2.119 3.781 . 0 0 "[ . 1 . 2]" 1
1184 1 43 LYS HE3 1 74 ASP HA . . 4.210 3.168 2.256 4.070 . 0 0 "[ . 1 . 2]" 1
1185 1 43 LYS QG 1 44 ASP H . . 4.300 3.430 3.130 3.757 . 0 0 "[ . 1 . 2]" 1
1186 1 43 LYS QG 1 44 ASP QB . . 4.680 3.119 2.488 4.431 . 0 0 "[ . 1 . 2]" 1
1187 1 43 LYS QG 1 78 TYR QD . . 5.340 4.185 3.385 5.341 0.001 16 0 "[ . 1 . 2]" 1
1188 1 43 LYS QG 1 78 TYR QE . . 5.190 3.621 2.842 4.759 . 0 0 "[ . 1 . 2]" 1
1189 1 43 LYS HG2 1 44 ASP H . . 5.040 3.998 3.317 5.040 . 13 0 "[ . 1 . 2]" 1
1190 1 43 LYS HG3 1 44 ASP H . . 5.040 4.126 3.344 5.046 0.006 4 0 "[ . 1 . 2]" 1
1191 1 44 ASP H 1 45 ARG H . . 4.480 2.719 2.528 2.837 . 0 0 "[ . 1 . 2]" 1
1192 1 44 ASP H 1 46 LYS H . . 5.370 4.055 3.712 4.240 . 0 0 "[ . 1 . 2]" 1
1193 1 44 ASP H 1 77 GLU H . . 4.380 3.550 2.844 3.964 . 0 0 "[ . 1 . 2]" 1
1194 1 44 ASP H 1 78 TYR HA . . 4.590 4.114 3.663 4.406 . 0 0 "[ . 1 . 2]" 1
1195 1 44 ASP HA 1 45 ARG H . . 3.400 2.708 2.631 2.809 . 0 0 "[ . 1 . 2]" 1
1196 1 44 ASP HA 1 45 ARG HA . . 4.990 4.709 4.660 4.769 . 0 0 "[ . 1 . 2]" 1
1197 1 44 ASP HA 1 45 ARG HG2 . . 4.840 3.486 2.942 4.613 . 0 0 "[ . 1 . 2]" 1
1198 1 44 ASP HA 1 45 ARG QG . . 4.080 3.281 2.901 3.703 . 0 0 "[ . 1 . 2]" 1
1199 1 44 ASP HA 1 45 ARG HG3 . . 4.840 4.450 3.521 4.810 . 0 0 "[ . 1 . 2]" 1
1200 1 44 ASP HA 1 46 LYS H . . 4.820 4.638 4.369 4.821 0.001 10 0 "[ . 1 . 2]" 1
1201 1 44 ASP HA 1 77 GLU H . . 4.450 3.997 3.158 4.451 0.001 16 0 "[ . 1 . 2]" 1
1202 1 44 ASP HA 1 77 GLU QB . . 4.140 3.349 3.004 3.816 . 0 0 "[ . 1 . 2]" 1
1203 1 44 ASP QB 1 46 LYS H . . 4.690 4.284 3.875 4.597 . 0 0 "[ . 1 . 2]" 1
1204 1 44 ASP HB2 1 45 ARG H . . 4.600 4.473 4.250 4.614 0.014 3 0 "[ . 1 . 2]" 1
1205 1 44 ASP HB2 1 46 LYS H . . 5.500 4.960 4.061 5.492 . 0 0 "[ . 1 . 2]" 1
1206 1 44 ASP HB3 1 45 ARG H . . 4.600 4.326 4.199 4.449 . 0 0 "[ . 1 . 2]" 1
1207 1 44 ASP HB3 1 46 LYS H . . 5.500 4.864 4.036 5.494 . 0 0 "[ . 1 . 2]" 1
1208 1 45 ARG H 1 45 ARG HG2 . . 4.350 2.741 2.538 3.121 . 0 0 "[ . 1 . 2]" 1
1209 1 45 ARG H 1 45 ARG HG3 . . 4.350 4.123 3.379 4.367 0.017 14 0 "[ . 1 . 2]" 1
1210 1 45 ARG H 1 46 LYS H . . 3.390 2.639 2.456 2.795 . 0 0 "[ . 1 . 2]" 1
1211 1 45 ARG HA 1 45 ARG HD2 . . 4.320 3.172 2.249 4.313 . 0 0 "[ . 1 . 2]" 1
1212 1 45 ARG HA 1 45 ARG HD3 . . 4.320 3.435 2.416 4.386 0.066 20 0 "[ . 1 . 2]" 1
1213 1 45 ARG HA 1 45 ARG HG2 . . 3.970 2.809 2.352 3.053 . 0 0 "[ . 1 . 2]" 1
1214 1 45 ARG HA 1 45 ARG HG3 . . 3.970 3.788 3.404 3.936 . 0 0 "[ . 1 . 2]" 1
1215 1 45 ARG HB2 1 45 ARG QD . . 3.550 3.277 2.652 3.492 . 0 0 "[ . 1 . 2]" 1
1216 1 45 ARG HB2 1 46 LYS H . . 4.510 4.199 4.009 4.299 . 0 0 "[ . 1 . 2]" 1
1217 1 45 ARG HB3 1 45 ARG HD2 . . 3.890 2.525 2.052 3.464 . 0 0 "[ . 1 . 2]" 1
1218 1 45 ARG HB3 1 45 ARG HD3 . . 3.890 3.124 2.104 3.624 . 0 0 "[ . 1 . 2]" 1
1219 1 46 LYS H 1 46 LYS QB . . 2.990 2.708 2.475 2.814 . 0 0 "[ . 1 . 2]" 1
1220 1 46 LYS H 1 46 LYS QD . . 4.460 4.353 4.141 4.612 0.152 20 0 "[ . 1 . 2]" 1
1221 1 46 LYS H 1 46 LYS QG . . 3.550 3.196 2.511 3.660 0.110 1 0 "[ . 1 . 2]" 1
1222 1 46 LYS H 1 47 ALA H . . 4.600 4.153 3.913 4.513 . 0 0 "[ . 1 . 2]" 1
1223 1 46 LYS HA 1 46 LYS QD . . 4.290 3.206 1.987 4.373 0.083 20 0 "[ . 1 . 2]" 1
1224 1 46 LYS HA 1 46 LYS HG2 . . 3.890 2.922 2.608 3.858 . 0 0 "[ . 1 . 2]" 1
1225 1 46 LYS HA 1 46 LYS HG3 . . 3.890 3.365 2.678 3.885 . 0 0 "[ . 1 . 2]" 1
1226 1 46 LYS HA 1 47 ALA H . . 2.870 2.182 2.141 2.564 . 0 0 "[ . 1 . 2]" 1
1227 1 46 LYS HA 1 47 ALA MB . . 4.220 4.003 3.982 4.012 . 0 0 "[ . 1 . 2]" 1
1228 1 46 LYS QB 1 47 ALA H . . 3.530 3.252 2.160 3.534 0.004 1 0 "[ . 1 . 2]" 1
1229 1 46 LYS QB 1 47 ALA HA . . 5.500 4.680 4.146 5.097 . 0 0 "[ . 1 . 2]" 1
1230 1 47 ALA H 1 47 ALA MB . . 2.850 2.246 2.213 2.389 . 0 0 "[ . 1 . 2]" 1
1231 1 47 ALA H 1 48 ILE H . . 4.730 4.488 4.288 4.577 . 0 0 "[ . 1 . 2]" 1
1232 1 47 ALA HA 1 48 ILE H . . 2.780 2.147 2.141 2.169 . 0 0 "[ . 1 . 2]" 1
1233 1 47 ALA HA 1 48 ILE HA . . 4.650 4.387 4.372 4.413 . 0 0 "[ . 1 . 2]" 1
1234 1 47 ALA HA 1 48 ILE HB . . 4.850 4.707 4.620 4.767 . 0 0 "[ . 1 . 2]" 1
1235 1 47 ALA HA 1 48 ILE HG13 . . 4.440 3.666 3.525 3.854 . 0 0 "[ . 1 . 2]" 1
1236 1 47 ALA HA 1 48 ILE MG . . 5.490 5.464 5.448 5.478 . 0 0 "[ . 1 . 2]" 1
1237 1 47 ALA MB 1 48 ILE H . . 3.350 3.182 3.006 3.340 . 0 0 "[ . 1 . 2]" 1
1238 1 47 ALA MB 1 48 ILE HA . . 4.610 4.347 4.282 4.467 . 0 0 "[ . 1 . 2]" 1
1239 1 48 ILE H 1 48 ILE HB . . 3.150 2.578 2.494 2.643 . 0 0 "[ . 1 . 2]" 1
1240 1 48 ILE H 1 48 ILE MD . . 4.180 3.637 3.409 3.810 . 0 0 "[ . 1 . 2]" 1
1241 1 48 ILE H 1 48 ILE HG12 . . 3.530 3.490 3.407 3.542 0.012 16 0 "[ . 1 . 2]" 1
1242 1 48 ILE H 1 48 ILE HG13 . . 3.450 2.219 2.007 2.342 . 0 0 "[ . 1 . 2]" 1
1243 1 48 ILE H 1 48 ILE MG . . 3.810 3.796 3.766 3.820 0.010 1 0 "[ . 1 . 2]" 1
1244 1 48 ILE HA 1 48 ILE MD . . 4.010 3.865 3.803 3.924 . 0 0 "[ . 1 . 2]" 1
1245 1 48 ILE HA 1 48 ILE HG12 . . 3.650 2.611 2.524 2.744 . 0 0 "[ . 1 . 2]" 1
1246 1 48 ILE HA 1 48 ILE HG13 . . 3.920 3.066 2.915 3.192 . 0 0 "[ . 1 . 2]" 1
1247 1 48 ILE HA 1 48 ILE MG . . 3.260 2.324 2.203 2.415 . 0 0 "[ . 1 . 2]" 1
1248 1 48 ILE HA 1 49 ARG H . . 2.720 2.241 2.185 2.376 . 0 0 "[ . 1 . 2]" 1
1249 1 48 ILE HA 1 49 ARG HA . . 4.580 4.395 4.376 4.430 . 0 0 "[ . 1 . 2]" 1
1250 1 48 ILE HA 1 49 ARG QB . . 4.800 4.321 4.136 4.489 . 0 0 "[ . 1 . 2]" 1
1251 1 48 ILE HA 1 49 ARG QG . . 4.840 3.849 3.575 4.378 . 0 0 "[ . 1 . 2]" 1
1252 1 48 ILE HB 1 48 ILE MD . . 3.160 2.334 2.206 2.432 . 0 0 "[ . 1 . 2]" 1
1253 1 48 ILE HB 1 49 ARG H . . 4.020 3.850 3.499 4.015 . 0 0 "[ . 1 . 2]" 1
1254 1 48 ILE HB 1 54 TYR QD . . 5.500 5.032 4.419 5.442 . 0 0 "[ . 1 . 2]" 1
1255 1 48 ILE HB 1 65 LEU MD1 . . 4.400 4.131 3.874 4.403 0.003 14 0 "[ . 1 . 2]" 1
1256 1 48 ILE MD 1 49 ARG H . . 5.130 4.862 4.677 5.010 . 0 0 "[ . 1 . 2]" 1
1257 1 48 ILE MD 1 54 TYR HB3 . . 4.640 4.214 3.692 4.532 . 0 0 "[ . 1 . 2]" 1
1258 1 48 ILE MD 1 54 TYR QD . . 4.400 4.048 3.787 4.269 . 0 0 "[ . 1 . 2]" 1
1259 1 48 ILE MD 1 54 TYR QE . . 4.280 4.012 3.663 4.269 . 0 0 "[ . 1 . 2]" 1
1260 1 48 ILE MD 1 78 TYR HA . . 4.900 3.884 3.361 4.245 . 0 0 "[ . 1 . 2]" 1
1261 1 48 ILE MD 1 78 TYR QD . . 3.490 2.587 1.992 3.261 . 0 0 "[ . 1 . 2]" 1
1262 1 48 ILE MD 1 78 TYR QE . . 3.500 2.517 2.030 2.954 . 0 0 "[ . 1 . 2]" 1
1263 1 48 ILE MD 1 79 THR H . . 4.910 4.552 3.912 4.891 . 0 0 "[ . 1 . 2]" 1
1264 1 48 ILE HG12 1 49 ARG H . . 4.380 4.337 4.195 4.406 0.026 14 0 "[ . 1 . 2]" 1
1265 1 48 ILE HG13 1 48 ILE MG . . 3.530 3.192 3.180 3.203 . 0 0 "[ . 1 . 2]" 1
1266 1 48 ILE HG13 1 49 ARG H . . 5.200 4.986 4.839 5.091 . 0 0 "[ . 1 . 2]" 1
1267 1 48 ILE MG 1 49 ARG H . . 3.350 2.034 1.876 2.378 . 0 0 "[ . 1 . 2]" 1
1268 1 48 ILE MG 1 49 ARG HA . . 4.610 3.724 3.490 3.896 . 0 0 "[ . 1 . 2]" 1
1269 1 48 ILE MG 1 50 LYS HA . . 5.330 4.024 3.772 4.325 . 0 0 "[ . 1 . 2]" 1
1270 1 48 ILE MG 1 54 TYR HA . . 5.490 4.647 4.431 4.933 . 0 0 "[ . 1 . 2]" 1
1271 1 48 ILE MG 1 54 TYR HB2 . . 4.260 2.848 2.523 3.097 . 0 0 "[ . 1 . 2]" 1
1272 1 48 ILE MG 1 54 TYR HB3 . . 3.820 2.772 2.483 3.073 . 0 0 "[ . 1 . 2]" 1
1273 1 48 ILE MG 1 54 TYR QD . . 3.620 2.413 1.900 2.959 . 0 0 "[ . 1 . 2]" 1
1274 1 48 ILE MG 1 54 TYR QE . . 3.670 3.060 2.514 3.518 . 0 0 "[ . 1 . 2]" 1
1275 1 48 ILE MG 1 56 VAL QG . . 4.650 3.869 3.497 4.222 . 0 0 "[ . 1 . 2]" 1
1276 1 49 ARG H 1 49 ARG HB2 . . 3.810 3.074 2.390 3.804 . 0 0 "[ . 1 . 2]" 1
1277 1 49 ARG H 1 49 ARG QB . . 3.210 2.691 2.358 3.050 . 0 0 "[ . 1 . 2]" 1
1278 1 49 ARG H 1 49 ARG HB3 . . 3.810 3.418 2.782 3.767 . 0 0 "[ . 1 . 2]" 1
1279 1 49 ARG H 1 49 ARG QD . . 4.770 3.789 1.893 4.700 . 0 0 "[ . 1 . 2]" 1
1280 1 49 ARG H 1 49 ARG QG . . 3.630 2.584 1.889 3.388 . 0 0 "[ . 1 . 2]" 1
1281 1 49 ARG H 1 50 LYS HA . . 5.350 5.087 4.972 5.196 . 0 0 "[ . 1 . 2]" 1
1282 1 49 ARG H 1 54 TYR QD . . 4.170 3.578 3.084 4.102 . 0 0 "[ . 1 . 2]" 1
1283 1 49 ARG H 1 54 TYR QE . . 5.290 4.631 4.070 5.054 . 0 0 "[ . 1 . 2]" 1
1284 1 49 ARG HA 1 49 ARG QD . . 4.300 3.809 2.269 4.351 0.051 3 0 "[ . 1 . 2]" 1
1285 1 49 ARG HA 1 49 ARG QG . . 3.680 2.837 2.242 3.443 . 0 0 "[ . 1 . 2]" 1
1286 1 49 ARG HA 1 50 LYS H . . 3.080 2.192 2.140 2.417 . 0 0 "[ . 1 . 2]" 1
1287 1 49 ARG HA 1 50 LYS QB . . 4.430 4.090 4.039 4.125 . 0 0 "[ . 1 . 2]" 1
1288 1 49 ARG HA 1 56 VAL QG . . 4.870 4.677 4.390 4.871 0.001 1 0 "[ . 1 . 2]" 1
1289 1 49 ARG QB 1 50 LYS H . . 3.780 3.068 2.365 3.427 . 0 0 "[ . 1 . 2]" 1
1290 1 49 ARG HB2 1 49 ARG QD . . 3.530 2.682 2.069 3.496 . 0 0 "[ . 1 . 2]" 1
1291 1 49 ARG HB2 1 50 LYS H . . 4.420 3.703 2.404 4.352 . 0 0 "[ . 1 . 2]" 1
1292 1 49 ARG HB3 1 49 ARG QD . . 3.530 2.465 2.095 3.487 . 0 0 "[ . 1 . 2]" 1
1293 1 49 ARG HB3 1 50 LYS H . . 4.420 3.599 2.394 4.393 . 0 0 "[ . 1 . 2]" 1
1294 1 50 LYS H 1 50 LYS QB . . 3.040 2.256 2.218 2.353 . 0 0 "[ . 1 . 2]" 1
1295 1 50 LYS H 1 50 LYS HG2 . . 4.890 4.465 4.329 4.530 . 0 0 "[ . 1 . 2]" 1
1296 1 50 LYS H 1 50 LYS HG3 . . 4.890 4.457 4.336 4.629 . 0 0 "[ . 1 . 2]" 1
1297 1 50 LYS H 1 51 SER H . . 4.810 4.486 4.278 4.606 . 0 0 "[ . 1 . 2]" 1
1298 1 50 LYS H 1 56 VAL QG . . 4.440 3.597 3.221 4.185 . 0 0 "[ . 1 . 2]" 1
1299 1 50 LYS HA 1 50 LYS HG2 . . 4.050 3.126 2.818 3.431 . 0 0 "[ . 1 . 2]" 1
1300 1 50 LYS HA 1 50 LYS QG . . 3.470 2.465 2.370 2.553 . 0 0 "[ . 1 . 2]" 1
1301 1 50 LYS HA 1 50 LYS HG3 . . 4.050 2.607 2.447 2.907 . 0 0 "[ . 1 . 2]" 1
1302 1 50 LYS HA 1 51 SER H . . 2.840 2.156 2.140 2.199 . 0 0 "[ . 1 . 2]" 1
1303 1 50 LYS HA 1 54 TYR H . . 4.720 4.557 4.326 4.729 0.009 4 0 "[ . 1 . 2]" 1
1304 1 50 LYS HA 1 54 TYR HB2 . . 4.020 3.104 2.810 3.372 . 0 0 "[ . 1 . 2]" 1
1305 1 50 LYS HA 1 54 TYR HB3 . . 4.240 3.951 3.686 4.216 . 0 0 "[ . 1 . 2]" 1
1306 1 50 LYS HA 1 55 ASP HA . . 4.410 4.128 3.789 4.407 . 0 0 "[ . 1 . 2]" 1
1307 1 50 LYS HA 1 56 VAL H . . 4.500 3.697 3.451 3.985 . 0 0 "[ . 1 . 2]" 1
1308 1 50 LYS HA 1 56 VAL QG . . 3.890 2.627 2.043 2.882 . 0 0 "[ . 1 . 2]" 1
1309 1 50 LYS QB 1 50 LYS HE2 . . 3.950 2.880 2.097 3.998 0.048 4 0 "[ . 1 . 2]" 1
1310 1 50 LYS QB 1 50 LYS QE . . 3.360 2.433 1.935 3.368 0.008 4 0 "[ . 1 . 2]" 1
1311 1 50 LYS QB 1 50 LYS HE3 . . 3.950 3.004 1.950 3.833 . 0 0 "[ . 1 . 2]" 1
1312 1 50 LYS QB 1 51 SER H . . 3.910 3.795 3.627 3.915 0.005 10 0 "[ . 1 . 2]" 1
1313 1 50 LYS QB 1 55 ASP HA . . 4.950 4.722 4.445 4.952 0.002 17 0 "[ . 1 . 2]" 1
1314 1 50 LYS QB 1 56 VAL HA . . 5.500 5.312 5.022 5.505 0.005 16 0 "[ . 1 . 2]" 1
1315 1 50 LYS QB 1 56 VAL MG1 . . 4.770 3.723 1.869 4.391 . 0 0 "[ . 1 . 2]" 1
1316 1 50 LYS QB 1 56 VAL QG . . 3.760 2.190 1.866 2.524 . 0 0 "[ . 1 . 2]" 1
1317 1 50 LYS QB 1 56 VAL MG2 . . 4.770 2.537 1.978 4.202 . 0 0 "[ . 1 . 2]" 1
1318 1 50 LYS QD 1 55 ASP HA . . 5.340 4.011 3.476 4.495 . 0 0 "[ . 1 . 2]" 1
1319 1 50 LYS HD2 1 56 VAL H . . 4.830 3.458 2.696 4.824 . 0 0 "[ . 1 . 2]" 1
1320 1 50 LYS HD3 1 56 VAL H . . 4.830 3.644 2.777 4.765 . 0 0 "[ . 1 . 2]" 1
1321 1 50 LYS QE 1 50 LYS QG . . 3.140 2.224 2.029 2.508 . 0 0 "[ . 1 . 2]" 1
1322 1 50 LYS HE2 1 56 VAL H . . 5.500 4.766 2.288 5.504 0.004 4 0 "[ . 1 . 2]" 1
1323 1 50 LYS HE3 1 56 VAL H . . 5.500 4.879 3.652 5.494 . 0 0 "[ . 1 . 2]" 1
1324 1 50 LYS QG 1 55 ASP HA . . 3.730 2.753 2.519 2.927 . 0 0 "[ . 1 . 2]" 1
1325 1 50 LYS QG 1 56 VAL H . . 3.640 2.055 1.911 2.391 . 0 0 "[ . 1 . 2]" 1
1326 1 50 LYS QG 1 56 VAL QG . . 3.950 2.501 1.980 3.054 . 0 0 "[ . 1 . 2]" 1
1327 1 50 LYS HG2 1 51 SER H . . 4.180 3.255 2.530 3.735 . 0 0 "[ . 1 . 2]" 1
1328 1 50 LYS HG2 1 55 ASP HA . . 4.350 3.824 3.335 4.241 . 0 0 "[ . 1 . 2]" 1
1329 1 50 LYS HG2 1 56 VAL H . . 4.160 3.689 3.239 4.083 . 0 0 "[ . 1 . 2]" 1
1330 1 50 LYS HG3 1 51 SER H . . 4.180 3.300 2.702 4.066 . 0 0 "[ . 1 . 2]" 1
1331 1 50 LYS HG3 1 55 ASP HA . . 4.350 2.837 2.547 3.172 . 0 0 "[ . 1 . 2]" 1
1332 1 50 LYS HG3 1 56 VAL H . . 4.160 2.066 1.919 2.407 . 0 0 "[ . 1 . 2]" 1
1333 1 51 SER H 1 54 TYR H . . 3.640 2.992 2.717 3.401 . 0 0 "[ . 1 . 2]" 1
1334 1 51 SER H 1 54 TYR HB2 . . 3.970 2.928 2.538 3.371 . 0 0 "[ . 1 . 2]" 1
1335 1 51 SER H 1 54 TYR HB3 . . 4.590 4.213 3.912 4.543 . 0 0 "[ . 1 . 2]" 1
1336 1 51 SER H 1 55 ASP HA . . 5.100 3.684 3.301 4.077 . 0 0 "[ . 1 . 2]" 1
1337 1 51 SER H 1 56 VAL QG . . 4.540 4.092 3.574 4.391 . 0 0 "[ . 1 . 2]" 1
1338 1 51 SER QB 1 54 TYR H . . 4.800 3.353 2.696 4.123 . 0 0 "[ . 1 . 2]" 1
1339 1 51 SER HB2 1 54 TYR H . . 5.480 4.168 3.139 4.623 . 0 0 "[ . 1 . 2]" 1
1340 1 51 SER HB2 1 54 TYR QD . . 5.500 5.011 3.538 5.497 . 0 0 "[ . 1 . 2]" 1
1341 1 51 SER HB3 1 54 TYR H . . 5.480 3.741 2.730 4.834 . 0 0 "[ . 1 . 2]" 1
1342 1 51 SER HB3 1 54 TYR QD . . 5.500 4.743 3.895 5.389 . 0 0 "[ . 1 . 2]" 1
1343 1 52 GLN HA 1 52 GLN HG2 . . 3.950 3.310 2.637 3.806 . 0 0 "[ . 1 . 2]" 1
1344 1 52 GLN HA 1 52 GLN QG . . 3.450 2.824 2.330 3.339 . 0 0 "[ . 1 . 2]" 1
1345 1 52 GLN HA 1 52 GLN HG3 . . 3.950 3.258 2.483 3.859 . 0 0 "[ . 1 . 2]" 1
1346 1 52 GLN QB 1 53 LYS H . . 4.710 2.897 2.365 3.677 . 0 0 "[ . 1 . 2]" 1
1347 1 52 GLN QB 1 53 LYS HA . . 4.860 4.069 3.855 4.371 . 0 0 "[ . 1 . 2]" 1
1348 1 53 LYS H 1 54 TYR H . . 3.770 2.707 2.360 2.931 . 0 0 "[ . 1 . 2]" 1
1349 1 53 LYS HA 1 53 LYS HD2 . . 3.860 3.505 2.246 3.851 . 0 0 "[ . 1 . 2]" 1
1350 1 53 LYS HA 1 53 LYS QD . . 3.020 2.115 1.986 2.242 . 0 0 "[ . 1 . 2]" 1
1351 1 53 LYS HA 1 53 LYS HD3 . . 3.860 2.194 1.997 3.328 . 0 0 "[ . 1 . 2]" 1
1352 1 53 LYS HA 1 53 LYS HE2 . . 4.840 4.297 3.723 4.587 . 0 0 "[ . 1 . 2]" 1
1353 1 53 LYS HA 1 53 LYS QE . . 4.050 3.700 3.187 4.048 . 0 0 "[ . 1 . 2]" 1
1354 1 53 LYS HA 1 53 LYS HE3 . . 4.840 4.064 3.465 4.638 . 0 0 "[ . 1 . 2]" 1
1355 1 53 LYS HA 1 53 LYS HG2 . . 4.050 3.866 3.751 3.936 . 0 0 "[ . 1 . 2]" 1
1356 1 53 LYS HA 1 53 LYS HG3 . . 4.200 3.252 3.139 3.351 . 0 0 "[ . 1 . 2]" 1
1357 1 53 LYS HA 1 68 ARG H . . 4.230 3.414 2.922 3.764 . 0 0 "[ . 1 . 2]" 1
1358 1 53 LYS HA 1 68 ARG HB2 . . 3.630 2.253 2.021 2.815 . 0 0 "[ . 1 . 2]" 1
1359 1 53 LYS HA 1 68 ARG HB3 . . 4.740 3.754 3.449 4.159 . 0 0 "[ . 1 . 2]" 1
1360 1 53 LYS QB 1 53 LYS QE . . 3.870 2.620 2.034 3.781 . 0 0 "[ . 1 . 2]" 1
1361 1 53 LYS QB 1 54 TYR HB2 . . 5.300 4.274 4.035 4.387 . 0 0 "[ . 1 . 2]" 1
1362 1 53 LYS QB 1 54 TYR QD . . 4.500 3.642 3.096 4.001 . 0 0 "[ . 1 . 2]" 1
1363 1 53 LYS QB 1 54 TYR QE . . 4.750 4.184 3.826 4.504 . 0 0 "[ . 1 . 2]" 1
1364 1 53 LYS HB2 1 53 LYS HE2 . . 5.400 3.654 2.886 4.534 . 0 0 "[ . 1 . 2]" 1
1365 1 53 LYS HB2 1 53 LYS HE3 . . 5.400 3.001 2.064 4.773 . 0 0 "[ . 1 . 2]" 1
1366 1 53 LYS HB2 1 54 TYR H . . 3.870 3.785 3.596 3.871 0.001 10 0 "[ . 1 . 2]" 1
1367 1 53 LYS HB2 1 54 TYR QE . . 5.500 5.275 4.856 5.494 . 0 0 "[ . 1 . 2]" 1
1368 1 53 LYS HB3 1 53 LYS HE2 . . 5.400 4.790 3.867 5.428 0.028 2 0 "[ . 1 . 2]" 1
1369 1 53 LYS HB3 1 53 LYS HE3 . . 5.400 4.233 3.528 5.464 0.064 9 0 "[ . 1 . 2]" 1
1370 1 53 LYS HB3 1 54 TYR H . . 3.870 2.349 2.070 2.472 . 0 0 "[ . 1 . 2]" 1
1371 1 53 LYS HB3 1 54 TYR QE . . 5.500 4.391 4.005 4.783 . 0 0 "[ . 1 . 2]" 1
1372 1 53 LYS QD 1 68 ARG H . . 3.630 3.013 2.606 3.569 . 0 0 "[ . 1 . 2]" 1
1373 1 53 LYS HD2 1 54 TYR QE . . 5.500 3.739 3.166 4.684 . 0 0 "[ . 1 . 2]" 1
1374 1 53 LYS HD2 1 67 ILE MG . . 3.970 2.286 1.975 3.075 . 0 0 "[ . 1 . 2]" 1
1375 1 53 LYS HD3 1 54 TYR QE . . 5.500 5.003 4.590 5.429 . 0 0 "[ . 1 . 2]" 1
1376 1 53 LYS HD3 1 67 ILE MG . . 3.970 3.493 2.929 3.975 0.005 9 0 "[ . 1 . 2]" 1
1377 1 53 LYS QE 1 53 LYS HG2 . . 3.520 2.399 2.073 2.821 . 0 0 "[ . 1 . 2]" 1
1378 1 53 LYS QE 1 53 LYS HG3 . . 3.540 3.319 2.257 3.509 . 0 0 "[ . 1 . 2]" 1
1379 1 53 LYS QE 1 54 TYR QE . . 5.180 4.558 2.471 5.045 . 0 0 "[ . 1 . 2]" 1
1380 1 53 LYS QE 1 67 ILE HA . . 5.340 4.956 3.316 5.192 . 0 0 "[ . 1 . 2]" 1
1381 1 53 LYS QE 1 67 ILE MG . . 3.720 3.432 1.743 3.711 . 0 0 "[ . 1 . 2]" 1
1382 1 53 LYS QE 1 68 ARG H . . 4.950 4.732 4.211 4.950 0.000 4 0 "[ . 1 . 2]" 1
1383 1 53 LYS HE2 1 53 LYS HG2 . . 4.050 3.192 2.091 3.659 . 0 0 "[ . 1 . 2]" 1
1384 1 53 LYS HE2 1 53 LYS HG3 . . 4.220 3.903 2.284 4.224 0.004 13 0 "[ . 1 . 2]" 1
1385 1 53 LYS HE3 1 53 LYS HG2 . . 4.050 2.815 2.149 3.821 . 0 0 "[ . 1 . 2]" 1
1386 1 53 LYS HE3 1 53 LYS HG3 . . 4.220 3.736 3.190 4.164 . 0 0 "[ . 1 . 2]" 1
1387 1 53 LYS HG2 1 54 TYR H . . 4.230 3.995 3.577 4.227 . 0 0 "[ . 1 . 2]" 1
1388 1 53 LYS HG2 1 54 TYR HA . . 5.500 5.167 4.883 5.485 . 0 0 "[ . 1 . 2]" 1
1389 1 53 LYS HG2 1 54 TYR QD . . 4.610 3.900 3.506 4.081 . 0 0 "[ . 1 . 2]" 1
1390 1 53 LYS HG2 1 54 TYR QE . . 4.570 3.409 2.894 3.609 . 0 0 "[ . 1 . 2]" 1
1391 1 53 LYS HG2 1 67 ILE MG . . 4.560 4.249 3.865 4.567 0.007 16 0 "[ . 1 . 2]" 1
1392 1 53 LYS HG3 1 54 TYR H . . 4.370 2.932 2.529 3.134 . 0 0 "[ . 1 . 2]" 1
1393 1 53 LYS HG3 1 54 TYR HA . . 4.560 3.442 3.156 3.754 . 0 0 "[ . 1 . 2]" 1
1394 1 53 LYS HG3 1 54 TYR HB2 . . 4.790 4.169 3.875 4.444 . 0 0 "[ . 1 . 2]" 1
1395 1 53 LYS HG3 1 54 TYR HB3 . . 4.860 4.571 4.387 4.704 . 0 0 "[ . 1 . 2]" 1
1396 1 53 LYS HG3 1 54 TYR QD . . 4.470 3.051 2.859 3.204 . 0 0 "[ . 1 . 2]" 1
1397 1 53 LYS HG3 1 54 TYR QE . . 4.280 3.317 3.114 3.470 . 0 0 "[ . 1 . 2]" 1
1398 1 54 TYR H 1 54 TYR HB2 . . 3.270 2.547 2.482 2.625 . 0 0 "[ . 1 . 2]" 1
1399 1 54 TYR H 1 54 TYR HB3 . . 3.750 3.689 3.644 3.728 . 0 0 "[ . 1 . 2]" 1
1400 1 54 TYR H 1 55 ASP H . . 4.590 4.193 3.853 4.433 . 0 0 "[ . 1 . 2]" 1
1401 1 54 TYR H 1 65 LEU MD1 . . 5.500 5.050 4.798 5.500 . 0 0 "[ . 1 . 2]" 1
1402 1 54 TYR HA 1 54 TYR QD . . 3.390 2.369 2.108 2.748 . 0 0 "[ . 1 . 2]" 1
1403 1 54 TYR HA 1 54 TYR QE . . 5.370 4.488 4.358 4.630 . 0 0 "[ . 1 . 2]" 1
1404 1 54 TYR HA 1 55 ASP H . . 2.970 2.177 2.137 2.293 . 0 0 "[ . 1 . 2]" 1
1405 1 54 TYR HA 1 55 ASP HA . . 4.730 4.423 4.391 4.503 . 0 0 "[ . 1 . 2]" 1
1406 1 54 TYR HA 1 65 LEU MD1 . . 4.120 3.194 2.912 3.474 . 0 0 "[ . 1 . 2]" 1
1407 1 54 TYR HA 1 65 LEU MD2 . . 5.500 4.733 4.545 5.246 . 0 0 "[ . 1 . 2]" 1
1408 1 54 TYR HA 1 66 VAL H . . 4.580 4.488 4.242 4.580 0.000 4 0 "[ . 1 . 2]" 1
1409 1 54 TYR HA 1 66 VAL HB . . 4.570 4.395 4.275 4.535 . 0 0 "[ . 1 . 2]" 1
1410 1 54 TYR HA 1 67 ILE HA . . 3.840 3.099 2.886 3.270 . 0 0 "[ . 1 . 2]" 1
1411 1 54 TYR HA 1 67 ILE HG12 . . 4.930 4.255 3.943 4.536 . 0 0 "[ . 1 . 2]" 1
1412 1 54 TYR HA 1 67 ILE MG . . 4.860 4.535 4.323 4.761 . 0 0 "[ . 1 . 2]" 1
1413 1 54 TYR HA 1 68 ARG H . . 4.150 4.066 3.691 4.153 0.003 20 0 "[ . 1 . 2]" 1
1414 1 54 TYR HB2 1 55 ASP H . . 4.670 4.377 4.221 4.493 . 0 0 "[ . 1 . 2]" 1
1415 1 54 TYR HB2 1 56 VAL QG . . 5.430 4.085 3.847 4.661 . 0 0 "[ . 1 . 2]" 1
1416 1 54 TYR HB2 1 65 LEU MD1 . . 4.180 3.511 3.285 4.110 . 0 0 "[ . 1 . 2]" 1
1417 1 54 TYR HB3 1 55 ASP H . . 4.100 3.747 3.418 4.098 . 0 0 "[ . 1 . 2]" 1
1418 1 54 TYR HB3 1 56 VAL QG . . 4.280 3.675 3.328 4.243 . 0 0 "[ . 1 . 2]" 1
1419 1 54 TYR HB3 1 65 LEU MD1 . . 3.360 2.079 1.903 2.687 . 0 0 "[ . 1 . 2]" 1
1420 1 54 TYR HB3 1 67 ILE HA . . 5.500 5.059 4.643 5.203 . 0 0 "[ . 1 . 2]" 1
1421 1 54 TYR QD 1 55 ASP H . . 4.450 4.207 3.981 4.378 . 0 0 "[ . 1 . 2]" 1
1422 1 54 TYR QD 1 65 LEU MD1 . . 3.790 3.196 2.968 3.423 . 0 0 "[ . 1 . 2]" 1
1423 1 54 TYR QD 1 65 LEU MD2 . . 4.070 3.429 3.125 3.806 . 0 0 "[ . 1 . 2]" 1
1424 1 54 TYR QD 1 65 LEU HG . . 5.060 3.367 2.960 3.902 . 0 0 "[ . 1 . 2]" 1
1425 1 54 TYR QD 1 67 ILE HA . . 3.800 2.925 2.672 3.119 . 0 0 "[ . 1 . 2]" 1
1426 1 54 TYR QD 1 67 ILE MD . . 4.210 3.875 3.604 4.117 . 0 0 "[ . 1 . 2]" 1
1427 1 54 TYR QD 1 67 ILE HG12 . . 3.680 2.345 2.014 2.621 . 0 0 "[ . 1 . 2]" 1
1428 1 54 TYR QD 1 67 ILE HG13 . . 4.080 3.129 2.943 3.306 . 0 0 "[ . 1 . 2]" 1
1429 1 54 TYR QD 1 67 ILE MG . . 3.780 3.301 3.046 3.547 . 0 0 "[ . 1 . 2]" 1
1430 1 54 TYR QD 1 68 ARG H . . 4.990 4.852 4.608 4.991 0.001 6 0 "[ . 1 . 2]" 1
1431 1 54 TYR QE 1 65 LEU MD1 . . 5.500 4.797 4.582 4.997 . 0 0 "[ . 1 . 2]" 1
1432 1 54 TYR QE 1 67 ILE HA . . 4.890 3.868 3.625 4.117 . 0 0 "[ . 1 . 2]" 1
1433 1 54 TYR QE 1 67 ILE MD . . 3.730 3.489 3.217 3.732 0.002 20 0 "[ . 1 . 2]" 1
1434 1 54 TYR QE 1 67 ILE HG12 . . 3.730 2.314 2.063 2.580 . 0 0 "[ . 1 . 2]" 1
1435 1 54 TYR QE 1 67 ILE HG13 . . 4.290 4.000 3.788 4.285 . 0 0 "[ . 1 . 2]" 1
1436 1 54 TYR QE 1 67 ILE MG . . 3.460 2.200 1.996 2.723 . 0 0 "[ . 1 . 2]" 1
1437 1 54 TYR QE 1 78 TYR QE . . 4.090 3.518 2.671 3.858 . 0 0 "[ . 1 . 2]" 1
1438 1 55 ASP H 1 55 ASP HB2 . . 3.970 2.634 2.450 2.882 . 0 0 "[ . 1 . 2]" 1
1439 1 55 ASP H 1 55 ASP HB3 . . 4.040 3.681 3.611 3.744 . 0 0 "[ . 1 . 2]" 1
1440 1 55 ASP H 1 56 VAL H . . 4.430 4.240 4.009 4.420 . 0 0 "[ . 1 . 2]" 1
1441 1 55 ASP H 1 56 VAL HA . . 5.360 5.018 4.807 5.281 . 0 0 "[ . 1 . 2]" 1
1442 1 55 ASP H 1 56 VAL QG . . 4.900 4.556 4.283 4.896 . 0 0 "[ . 1 . 2]" 1
1443 1 55 ASP H 1 65 LEU HA . . 5.260 4.388 3.953 4.876 . 0 0 "[ . 1 . 2]" 1
1444 1 55 ASP H 1 65 LEU MD1 . . 3.990 3.299 2.894 3.685 . 0 0 "[ . 1 . 2]" 1
1445 1 55 ASP H 1 66 VAL HB . . 3.710 2.736 2.516 2.989 . 0 0 "[ . 1 . 2]" 1
1446 1 55 ASP H 1 66 VAL MG1 . . 4.400 4.071 3.744 4.314 . 0 0 "[ . 1 . 2]" 1
1447 1 55 ASP H 1 66 VAL MG2 . . 4.580 3.832 3.672 3.954 . 0 0 "[ . 1 . 2]" 1
1448 1 55 ASP H 1 67 ILE HA . . 4.690 4.153 3.939 4.306 . 0 0 "[ . 1 . 2]" 1
1449 1 55 ASP HA 1 56 VAL H . . 2.590 2.168 2.140 2.230 . 0 0 "[ . 1 . 2]" 1
1450 1 55 ASP HA 1 56 VAL HB . . 5.290 4.762 4.626 5.027 . 0 0 "[ . 1 . 2]" 1
1451 1 55 ASP HA 1 56 VAL QG . . 3.930 3.619 3.330 3.830 . 0 0 "[ . 1 . 2]" 1
1452 1 55 ASP HA 1 57 VAL QG . . 5.210 4.560 4.277 4.902 . 0 0 "[ . 1 . 2]" 1
1453 1 55 ASP HA 1 66 VAL MG2 . . 5.080 4.727 4.580 4.900 . 0 0 "[ . 1 . 2]" 1
1454 1 55 ASP HB2 1 56 VAL H . . 4.400 4.326 4.199 4.402 0.002 3 0 "[ . 1 . 2]" 1
1455 1 55 ASP HB2 1 57 VAL QG . . 3.890 3.467 3.204 3.839 . 0 0 "[ . 1 . 2]" 1
1456 1 55 ASP HB2 1 66 VAL H . . 4.030 2.934 2.588 3.166 . 0 0 "[ . 1 . 2]" 1
1457 1 55 ASP HB2 1 66 VAL HB . . 3.210 2.059 1.999 2.162 . 0 0 "[ . 1 . 2]" 1
1458 1 55 ASP HB2 1 66 VAL MG1 . . 4.270 3.603 3.502 3.696 . 0 0 "[ . 1 . 2]" 1
1459 1 55 ASP HB2 1 66 VAL MG2 . . 3.490 2.164 1.977 2.462 . 0 0 "[ . 1 . 2]" 1
1460 1 55 ASP HB3 1 56 VAL H . . 4.010 3.739 3.338 3.991 . 0 0 "[ . 1 . 2]" 1
1461 1 55 ASP HB3 1 57 VAL QG . . 4.150 3.360 3.003 3.910 . 0 0 "[ . 1 . 2]" 1
1462 1 55 ASP HB3 1 66 VAL H . . 4.570 4.410 3.910 4.569 . 0 0 "[ . 1 . 2]" 1
1463 1 55 ASP HB3 1 66 VAL HB . . 3.780 3.734 3.636 3.782 0.002 1 0 "[ . 1 . 2]" 1
1464 1 55 ASP HB3 1 66 VAL MG2 . . 3.860 3.381 3.151 3.593 . 0 0 "[ . 1 . 2]" 1
1465 1 56 VAL H 1 56 VAL HB . . 3.180 2.653 2.506 3.123 . 0 0 "[ . 1 . 2]" 1
1466 1 56 VAL H 1 56 VAL MG1 . . 3.990 3.510 1.865 3.872 . 0 0 "[ . 1 . 2]" 1
1467 1 56 VAL H 1 56 VAL QG . . 3.170 2.166 1.860 2.439 . 0 0 "[ . 1 . 2]" 1
1468 1 56 VAL H 1 56 VAL MG2 . . 3.990 2.453 1.886 3.726 . 0 0 "[ . 1 . 2]" 1
1469 1 56 VAL H 1 57 VAL H . . 4.430 4.310 4.176 4.445 0.015 4 0 "[ . 1 . 2]" 1
1470 1 56 VAL H 1 57 VAL QG . . 4.570 4.292 3.810 4.573 0.003 16 0 "[ . 1 . 2]" 1
1471 1 56 VAL H 1 65 LEU MD1 . . 4.740 3.875 3.445 4.315 . 0 0 "[ . 1 . 2]" 1
1472 1 56 VAL H 1 66 VAL MG2 . . 5.500 5.387 5.180 5.491 . 0 0 "[ . 1 . 2]" 1
1473 1 56 VAL HA 1 56 VAL MG1 . . 3.200 2.479 2.197 3.182 . 0 0 "[ . 1 . 2]" 1
1474 1 56 VAL HA 1 56 VAL QG . . 2.800 2.162 2.038 2.405 . 0 0 "[ . 1 . 2]" 1
1475 1 56 VAL HA 1 56 VAL MG2 . . 3.200 2.431 2.294 2.567 . 0 0 "[ . 1 . 2]" 1
1476 1 56 VAL HA 1 57 VAL H . . 2.750 2.164 2.140 2.222 . 0 0 "[ . 1 . 2]" 1
1477 1 56 VAL HA 1 57 VAL HB . . 5.500 4.789 4.569 5.138 . 0 0 "[ . 1 . 2]" 1
1478 1 56 VAL HA 1 64 MET H . . 5.090 4.874 4.292 5.099 0.009 15 0 "[ . 1 . 2]" 1
1479 1 56 VAL HA 1 65 LEU MD1 . . 3.910 2.888 2.501 3.183 . 0 0 "[ . 1 . 2]" 1
1480 1 56 VAL HA 1 66 VAL MG2 . . 5.270 4.869 4.373 5.176 . 0 0 "[ . 1 . 2]" 1
1481 1 56 VAL HB 1 57 VAL H . . 4.820 4.319 4.162 4.449 . 0 0 "[ . 1 . 2]" 1
1482 1 56 VAL QG 1 57 VAL H . . 3.380 2.960 2.666 3.246 . 0 0 "[ . 1 . 2]" 1
1483 1 56 VAL QG 1 57 VAL HA . . 4.820 3.769 3.432 4.032 . 0 0 "[ . 1 . 2]" 1
1484 1 56 VAL QG 1 65 LEU MD1 . . 3.020 2.362 1.966 3.035 0.015 16 0 "[ . 1 . 2]" 1
1485 1 56 VAL QG 1 65 LEU MD2 . . 5.180 4.090 3.797 4.627 . 0 0 "[ . 1 . 2]" 1
1486 1 56 VAL MG1 1 57 VAL H . . 4.390 3.236 2.780 4.300 . 0 0 "[ . 1 . 2]" 1
1487 1 56 VAL MG1 1 65 LEU HA . . 4.780 4.454 4.091 4.784 0.004 19 0 "[ . 1 . 2]" 1
1488 1 56 VAL MG1 1 65 LEU MD1 . . 3.620 3.427 3.174 3.615 . 0 0 "[ . 1 . 2]" 1
1489 1 56 VAL MG2 1 57 VAL H . . 4.390 4.016 2.694 4.326 . 0 0 "[ . 1 . 2]" 1
1490 1 56 VAL MG2 1 65 LEU HA . . 4.780 4.029 3.779 4.396 . 0 0 "[ . 1 . 2]" 1
1491 1 56 VAL MG2 1 65 LEU MD1 . . 3.620 2.457 1.981 3.464 . 0 0 "[ . 1 . 2]" 1
1492 1 57 VAL H 1 57 VAL HB . . 3.580 2.762 2.460 3.542 . 0 0 "[ . 1 . 2]" 1
1493 1 57 VAL H 1 57 VAL MG1 . . 3.940 3.454 1.886 3.887 . 0 0 "[ . 1 . 2]" 1
1494 1 57 VAL H 1 57 VAL QG . . 3.100 2.410 1.880 2.778 . 0 0 "[ . 1 . 2]" 1
1495 1 57 VAL H 1 57 VAL MG2 . . 3.940 2.771 2.364 3.634 . 0 0 "[ . 1 . 2]" 1
1496 1 57 VAL H 1 64 MET H . . 3.820 3.257 2.713 3.462 . 0 0 "[ . 1 . 2]" 1
1497 1 57 VAL H 1 64 MET HB2 . . 5.320 5.049 4.581 5.324 0.004 15 0 "[ . 1 . 2]" 1
1498 1 57 VAL H 1 64 MET HB3 . . 3.970 3.611 3.041 3.946 . 0 0 "[ . 1 . 2]" 1
1499 1 57 VAL H 1 64 MET ME . . 5.140 4.368 3.840 4.769 . 0 0 "[ . 1 . 2]" 1
1500 1 57 VAL H 1 65 LEU MD1 . . 4.690 4.399 4.157 4.605 . 0 0 "[ . 1 . 2]" 1
1501 1 57 VAL HA 1 57 VAL MG1 . . 3.230 2.507 2.210 3.133 . 0 0 "[ . 1 . 2]" 1
1502 1 57 VAL HA 1 57 VAL MG2 . . 3.230 2.437 2.296 2.651 . 0 0 "[ . 1 . 2]" 1
1503 1 57 VAL HA 1 58 CYS H . . 2.980 2.237 2.143 2.344 . 0 0 "[ . 1 . 2]" 1
1504 1 57 VAL HA 1 58 CYS HB2 . . 5.010 4.687 4.382 5.023 0.013 16 0 "[ . 1 . 2]" 1
1505 1 57 VAL HA 1 58 CYS HB3 . . 5.010 4.524 4.276 4.768 . 0 0 "[ . 1 . 2]" 1
1506 1 57 VAL HA 1 64 MET ME . . 5.500 5.167 4.908 5.506 0.006 19 0 "[ . 1 . 2]" 1
1507 1 57 VAL HB 1 58 CYS H . . 4.500 4.108 3.478 4.502 0.002 16 0 "[ . 1 . 2]" 1
1508 1 57 VAL HB 1 58 CYS HA . . 5.280 4.909 4.525 5.448 0.168 19 0 "[ . 1 . 2]" 1
1509 1 57 VAL HB 1 64 MET H . . 5.500 3.429 2.622 5.434 . 0 0 "[ . 1 . 2]" 1
1510 1 57 VAL QG 1 58 CYS H . . 3.460 2.615 1.845 3.368 . 0 0 "[ . 1 . 2]" 1
1511 1 57 VAL QG 1 58 CYS HA . . 4.120 3.533 2.745 3.997 . 0 0 "[ . 1 . 2]" 1
1512 1 57 VAL QG 1 58 CYS QB . . 4.820 4.148 3.626 4.563 . 0 0 "[ . 1 . 2]" 1
1513 1 57 VAL QG 1 59 GLU H . . 4.170 3.404 2.906 3.754 . 0 0 "[ . 1 . 2]" 1
1514 1 57 VAL QG 1 59 GLU QB . . 4.060 3.383 2.939 4.062 0.002 11 0 "[ . 1 . 2]" 1
1515 1 57 VAL QG 1 59 GLU QG . . 3.320 2.621 1.895 3.325 0.005 4 0 "[ . 1 . 2]" 1
1516 1 57 VAL QG 1 62 MET ME . . 3.100 2.687 2.227 3.069 . 0 0 "[ . 1 . 2]" 1
1517 1 57 VAL QG 1 63 ALA HA . . 5.440 4.302 3.642 4.966 . 0 0 "[ . 1 . 2]" 1
1518 1 57 VAL QG 1 64 MET H . . 3.950 3.398 2.643 3.893 . 0 0 "[ . 1 . 2]" 1
1519 1 57 VAL QG 1 64 MET HB3 . . 4.080 2.695 1.884 3.084 . 0 0 "[ . 1 . 2]" 1
1520 1 57 VAL QG 1 64 MET ME . . 2.870 2.200 1.860 2.528 . 0 0 "[ . 1 . 2]" 1
1521 1 57 VAL QG 1 64 MET HG2 . . 4.460 3.795 3.049 4.130 . 0 0 "[ . 1 . 2]" 1
1522 1 57 VAL QG 1 64 MET HG3 . . 5.350 4.764 4.068 5.075 . 0 0 "[ . 1 . 2]" 1
1523 1 57 VAL MG1 1 58 CYS H . . 4.460 3.097 1.897 3.987 . 0 0 "[ . 1 . 2]" 1
1524 1 57 VAL MG1 1 62 MET ME . . 4.380 2.912 2.236 4.148 . 0 0 "[ . 1 . 2]" 1
1525 1 57 VAL MG1 1 64 MET H . . 4.580 3.617 2.781 4.299 . 0 0 "[ . 1 . 2]" 1
1526 1 57 VAL MG1 1 64 MET HB2 . . 4.720 3.992 3.311 4.711 . 0 0 "[ . 1 . 2]" 1
1527 1 57 VAL MG1 1 64 MET HB3 . . 4.810 3.103 1.901 3.806 . 0 0 "[ . 1 . 2]" 1
1528 1 57 VAL MG2 1 58 CYS H . . 4.460 3.682 1.848 4.309 . 0 0 "[ . 1 . 2]" 1
1529 1 57 VAL MG2 1 62 MET ME . . 4.380 3.989 3.010 4.400 0.020 16 0 "[ . 1 . 2]" 1
1530 1 57 VAL MG2 1 64 MET H . . 4.580 4.150 3.243 4.545 . 0 0 "[ . 1 . 2]" 1
1531 1 57 VAL MG2 1 64 MET HB2 . . 4.720 4.452 3.684 4.720 . 20 0 "[ . 1 . 2]" 1
1532 1 57 VAL MG2 1 64 MET HB3 . . 4.810 3.147 2.890 3.455 . 0 0 "[ . 1 . 2]" 1
1533 1 58 CYS H 1 58 CYS HB2 . . 4.090 3.172 2.842 3.591 . 0 0 "[ . 1 . 2]" 1
1534 1 58 CYS H 1 58 CYS QB . . 3.550 2.526 2.279 2.916 . 0 0 "[ . 1 . 2]" 1
1535 1 58 CYS H 1 58 CYS HB3 . . 4.090 2.655 2.396 3.122 . 0 0 "[ . 1 . 2]" 1
1536 1 58 CYS H 1 59 GLU H . . 4.930 3.975 3.762 4.169 . 0 0 "[ . 1 . 2]" 1
1537 1 58 CYS HA 1 59 GLU H . . 2.840 2.196 2.140 2.259 . 0 0 "[ . 1 . 2]" 1
1538 1 58 CYS HA 1 59 GLU QB . . 5.340 4.373 4.198 4.505 . 0 0 "[ . 1 . 2]" 1
1539 1 58 CYS HA 1 62 MET H . . 4.710 4.312 3.936 4.729 0.019 16 0 "[ . 1 . 2]" 1
1540 1 58 CYS HA 1 62 MET ME . . 4.140 3.896 3.171 4.142 0.002 4 0 "[ . 1 . 2]" 1
1541 1 58 CYS HA 1 63 ALA HA . . 3.320 2.436 1.993 2.981 . 0 0 "[ . 1 . 2]" 1
1542 1 58 CYS HA 1 63 ALA MB . . 4.150 3.566 2.672 3.967 . 0 0 "[ . 1 . 2]" 1
1543 1 58 CYS HA 1 64 MET H . . 4.060 3.541 3.169 3.919 . 0 0 "[ . 1 . 2]" 1
1544 1 58 CYS QB 1 63 ALA HA . . 4.430 3.538 2.281 4.321 . 0 0 "[ . 1 . 2]" 1
1545 1 58 CYS QB 1 63 ALA MB . . 4.880 3.464 2.629 4.420 . 0 0 "[ . 1 . 2]" 1
1546 1 58 CYS HB2 1 59 GLU H . . 4.510 4.438 4.246 4.533 0.023 4 0 "[ . 1 . 2]" 1
1547 1 58 CYS HB3 1 59 GLU H . . 4.510 4.454 4.299 4.523 0.013 9 0 "[ . 1 . 2]" 1
1548 1 59 GLU H 1 59 GLU HB2 . . 3.780 2.526 2.289 2.815 . 0 0 "[ . 1 . 2]" 1
1549 1 59 GLU H 1 59 GLU QB . . 3.260 2.483 2.261 2.743 . 0 0 "[ . 1 . 2]" 1
1550 1 59 GLU H 1 59 GLU HB3 . . 3.780 3.677 3.521 3.787 0.007 10 0 "[ . 1 . 2]" 1
1551 1 59 GLU H 1 59 GLU QG . . 4.120 3.271 2.625 3.958 . 0 0 "[ . 1 . 2]" 1
1552 1 59 GLU H 1 62 MET H . . 3.830 3.312 2.659 3.746 . 0 0 "[ . 1 . 2]" 1
1553 1 59 GLU H 1 62 MET QB . . 4.000 3.252 2.361 3.923 . 0 0 "[ . 1 . 2]" 1
1554 1 59 GLU H 1 62 MET ME . . 3.970 2.986 2.475 3.897 . 0 0 "[ . 1 . 2]" 1
1555 1 59 GLU H 1 63 ALA HA . . 4.140 3.677 3.080 4.141 0.001 12 0 "[ . 1 . 2]" 1
1556 1 59 GLU H 1 64 MET H . . 5.140 4.564 3.974 5.056 . 0 0 "[ . 1 . 2]" 1
1557 1 59 GLU HA 1 59 GLU QG . . 3.480 2.521 2.182 2.952 . 0 0 "[ . 1 . 2]" 1
1558 1 59 GLU QB 1 59 GLU QG . . 2.390 2.023 1.960 2.086 . 0 0 "[ . 1 . 2]" 1
1559 1 59 GLU QB 1 62 MET H . . 4.540 4.293 3.810 4.580 0.040 4 0 "[ . 1 . 2]" 1
1560 1 59 GLU QB 1 62 MET QG . . 5.180 4.475 3.561 5.189 0.009 4 0 "[ . 1 . 2]" 1
1561 1 60 GLY QA 1 61 THR H . . 3.080 2.262 2.110 2.582 . 0 0 "[ . 1 . 2]" 1
1562 1 60 GLY QA 1 61 THR MG . . 4.750 3.461 3.067 4.074 . 0 0 "[ . 1 . 2]" 1
1563 1 60 GLY QA 1 62 MET H . . 4.190 3.830 3.505 4.070 . 0 0 "[ . 1 . 2]" 1
1564 1 60 GLY HA2 1 62 MET H . . 4.770 4.367 3.742 4.747 . 0 0 "[ . 1 . 2]" 1
1565 1 60 GLY HA3 1 62 MET H . . 4.770 4.296 3.789 4.749 . 0 0 "[ . 1 . 2]" 1
1566 1 61 THR H 1 61 THR MG . . 3.580 2.625 2.331 2.950 . 0 0 "[ . 1 . 2]" 1
1567 1 61 THR H 1 62 MET H . . 3.360 2.934 2.780 3.097 . 0 0 "[ . 1 . 2]" 1
1568 1 61 THR HA 1 61 THR MG . . 3.090 2.299 2.023 2.461 . 0 0 "[ . 1 . 2]" 1
1569 1 61 THR HG1 1 61 THR MG . . 3.470 2.538 2.004 3.032 . 0 0 "[ . 1 . 2]" 1
1570 1 61 THR MG 1 62 MET H . . 4.440 4.344 4.298 4.387 . 0 0 "[ . 1 . 2]" 1
1571 1 62 MET H 1 62 MET HB2 . . 3.640 3.285 3.036 3.558 . 0 0 "[ . 1 . 2]" 1
1572 1 62 MET H 1 62 MET QB . . 2.920 2.687 2.592 2.748 . 0 0 "[ . 1 . 2]" 1
1573 1 62 MET H 1 62 MET HB3 . . 3.640 2.865 2.667 2.965 . 0 0 "[ . 1 . 2]" 1
1574 1 62 MET H 1 62 MET ME . . 4.700 4.386 4.136 4.708 0.008 16 0 "[ . 1 . 2]" 1
1575 1 62 MET H 1 62 MET HG2 . . 5.080 4.574 4.350 5.122 0.042 16 0 "[ . 1 . 2]" 1
1576 1 62 MET H 1 62 MET QG . . 4.390 4.215 4.081 4.364 . 0 0 "[ . 1 . 2]" 1
1577 1 62 MET H 1 62 MET HG3 . . 5.080 4.969 4.536 5.108 0.028 13 0 "[ . 1 . 2]" 1
1578 1 62 MET H 1 63 ALA H . . 4.560 3.918 3.690 4.122 . 0 0 "[ . 1 . 2]" 1
1579 1 62 MET H 1 63 ALA MB . . 4.980 4.492 4.100 4.600 . 0 0 "[ . 1 . 2]" 1
1580 1 62 MET HA 1 62 MET ME . . 4.270 4.116 3.378 4.279 0.009 4 0 "[ . 1 . 2]" 1
1581 1 62 MET HA 1 62 MET HG2 . . 4.160 2.705 2.367 3.614 . 0 0 "[ . 1 . 2]" 1
1582 1 62 MET HA 1 62 MET QG . . 3.620 2.521 2.337 3.182 . 0 0 "[ . 1 . 2]" 1
1583 1 62 MET HA 1 62 MET HG3 . . 4.160 3.255 2.670 3.694 . 0 0 "[ . 1 . 2]" 1
1584 1 62 MET HA 1 63 ALA H . . 2.800 2.167 2.140 2.258 . 0 0 "[ . 1 . 2]" 1
1585 1 62 MET HA 1 63 ALA MB . . 4.090 4.041 3.936 4.113 0.023 15 0 "[ . 1 . 2]" 1
1586 1 62 MET HB2 1 63 ALA H . . 4.740 4.419 4.112 4.615 . 0 0 "[ . 1 . 2]" 1
1587 1 62 MET HB3 1 63 ALA H . . 4.740 4.371 4.151 4.470 . 0 0 "[ . 1 . 2]" 1
1588 1 62 MET ME 1 62 MET HG2 . . 3.900 2.687 1.992 3.391 . 0 0 "[ . 1 . 2]" 1
1589 1 62 MET ME 1 62 MET HG3 . . 3.900 2.927 2.234 3.368 . 0 0 "[ . 1 . 2]" 1
1590 1 62 MET ME 1 63 ALA H . . 4.800 4.300 2.719 4.799 . 0 0 "[ . 1 . 2]" 1
1591 1 62 MET ME 1 64 MET H . . 4.460 3.325 2.103 4.300 . 0 0 "[ . 1 . 2]" 1
1592 1 62 MET QG 1 63 ALA H . . 4.070 3.343 2.850 4.010 . 0 0 "[ . 1 . 2]" 1
1593 1 62 MET QG 1 64 MET HB2 . . 4.770 3.823 3.094 4.502 . 0 0 "[ . 1 . 2]" 1
1594 1 62 MET HG2 1 64 MET HB2 . . 5.500 4.142 3.159 5.427 . 0 0 "[ . 1 . 2]" 1
1595 1 62 MET HG3 1 64 MET HB2 . . 5.500 4.820 4.415 5.343 . 0 0 "[ . 1 . 2]" 1
1596 1 63 ALA H 1 63 ALA MB . . 3.100 2.362 2.160 2.494 . 0 0 "[ . 1 . 2]" 1
1597 1 63 ALA H 1 64 MET H . . 4.530 4.331 4.155 4.523 . 0 0 "[ . 1 . 2]" 1
1598 1 63 ALA H 1 64 MET HB2 . . 5.500 5.269 5.122 5.426 . 0 0 "[ . 1 . 2]" 1
1599 1 63 ALA HA 1 64 MET H . . 2.760 2.162 2.142 2.231 . 0 0 "[ . 1 . 2]" 1
1600 1 63 ALA HA 1 64 MET HA . . 4.860 4.404 4.394 4.438 . 0 0 "[ . 1 . 2]" 1
1601 1 63 ALA HA 1 64 MET HB2 . . 4.650 4.495 4.307 4.649 . 0 0 "[ . 1 . 2]" 1
1602 1 63 ALA HA 1 64 MET HB3 . . 4.880 4.732 4.487 4.880 . 0 0 "[ . 1 . 2]" 1
1603 1 63 ALA MB 1 64 MET H . . 3.450 3.252 2.799 3.447 . 0 0 "[ . 1 . 2]" 1
1604 1 63 ALA MB 1 64 MET HA . . 4.780 4.126 3.981 4.248 . 0 0 "[ . 1 . 2]" 1
1605 1 63 ALA MB 1 80 CYS HG . . 5.010 4.195 3.352 4.760 . 0 0 "[ . 1 . 2]" 1
1606 1 64 MET H 1 64 MET HB2 . . 3.490 2.924 2.710 3.267 . 0 0 "[ . 1 . 2]" 1
1607 1 64 MET H 1 64 MET HB3 . . 3.580 2.714 2.607 2.865 . 0 0 "[ . 1 . 2]" 1
1608 1 64 MET H 1 64 MET ME . . 4.510 4.388 4.211 4.498 . 0 0 "[ . 1 . 2]" 1
1609 1 64 MET H 1 64 MET HG2 . . 4.690 4.536 4.389 4.629 . 0 0 "[ . 1 . 2]" 1
1610 1 64 MET H 1 65 LEU H . . 4.630 4.459 4.364 4.543 . 0 0 "[ . 1 . 2]" 1
1611 1 64 MET HA 1 64 MET ME . . 4.520 4.422 4.319 4.521 0.001 20 0 "[ . 1 . 2]" 1
1612 1 64 MET HA 1 64 MET HG2 . . 3.830 3.076 2.925 3.264 . 0 0 "[ . 1 . 2]" 1
1613 1 64 MET HA 1 64 MET HG3 . . 3.970 2.459 2.291 2.560 . 0 0 "[ . 1 . 2]" 1
1614 1 64 MET HA 1 65 LEU H . . 2.920 2.253 2.155 2.466 . 0 0 "[ . 1 . 2]" 1
1615 1 64 MET HA 1 65 LEU HA . . 5.150 4.425 4.390 4.505 . 0 0 "[ . 1 . 2]" 1
1616 1 64 MET HB2 1 65 LEU H . . 4.310 4.097 3.683 4.311 0.001 18 0 "[ . 1 . 2]" 1
1617 1 64 MET HB3 1 64 MET ME . . 3.010 2.078 1.965 2.340 . 0 0 "[ . 1 . 2]" 1
1618 1 64 MET HB3 1 65 LEU H . . 4.200 3.829 3.535 4.081 . 0 0 "[ . 1 . 2]" 1
1619 1 64 MET HB3 1 66 VAL MG2 . . 4.960 3.939 3.735 4.347 . 0 0 "[ . 1 . 2]" 1
1620 1 64 MET ME 1 65 LEU H . . 5.010 4.522 4.092 4.878 . 0 0 "[ . 1 . 2]" 1
1621 1 64 MET ME 1 65 LEU HA . . 5.500 4.905 4.525 5.401 . 0 0 "[ . 1 . 2]" 1
1622 1 64 MET ME 1 66 VAL H . . 5.500 4.311 3.941 4.755 . 0 0 "[ . 1 . 2]" 1
1623 1 64 MET HG2 1 65 LEU H . . 4.100 2.568 1.972 3.045 . 0 0 "[ . 1 . 2]" 1
1624 1 64 MET HG2 1 66 VAL H . . 4.790 3.934 3.680 4.169 . 0 0 "[ . 1 . 2]" 1
1625 1 64 MET HG2 1 66 VAL HA . . 5.500 4.236 4.105 4.434 . 0 0 "[ . 1 . 2]" 1
1626 1 64 MET HG2 1 66 VAL MG2 . . 3.480 2.801 2.624 3.039 . 0 0 "[ . 1 . 2]" 1
1627 1 64 MET HG3 1 65 LEU H . . 4.100 2.784 1.981 3.339 . 0 0 "[ . 1 . 2]" 1
1628 1 64 MET HG3 1 66 VAL MG2 . . 4.510 4.263 4.047 4.509 . 0 0 "[ . 1 . 2]" 1
1629 1 65 LEU H 1 65 LEU HB2 . . 4.000 3.172 2.963 3.333 . 0 0 "[ . 1 . 2]" 1
1630 1 65 LEU H 1 65 LEU QB . . 3.380 2.508 2.401 2.656 . 0 0 "[ . 1 . 2]" 1
1631 1 65 LEU H 1 65 LEU HB3 . . 4.000 2.629 2.522 2.811 . 0 0 "[ . 1 . 2]" 1
1632 1 65 LEU H 1 65 LEU MD1 . . 4.910 4.442 4.343 4.571 . 0 0 "[ . 1 . 2]" 1
1633 1 65 LEU H 1 66 VAL H . . 4.660 4.029 3.886 4.150 . 0 0 "[ . 1 . 2]" 1
1634 1 65 LEU H 1 66 VAL MG2 . . 4.750 4.215 3.845 4.427 . 0 0 "[ . 1 . 2]" 1
1635 1 65 LEU HA 1 65 LEU MD1 . . 3.040 2.373 2.092 2.561 . 0 0 "[ . 1 . 2]" 1
1636 1 65 LEU HA 1 65 LEU MD2 . . 4.240 3.944 3.903 3.979 . 0 0 "[ . 1 . 2]" 1
1637 1 65 LEU HA 1 65 LEU HG . . 4.020 3.068 2.974 3.164 . 0 0 "[ . 1 . 2]" 1
1638 1 65 LEU HA 1 66 VAL H . . 2.850 2.168 2.139 2.193 . 0 0 "[ . 1 . 2]" 1
1639 1 65 LEU HA 1 66 VAL HB . . 4.850 4.808 4.662 4.854 0.004 8 0 "[ . 1 . 2]" 1
1640 1 65 LEU QB 1 65 LEU MD2 . . 3.230 2.021 1.983 2.080 . 0 0 "[ . 1 . 2]" 1
1641 1 65 LEU MD1 1 66 VAL H . . 3.350 3.228 3.011 3.350 . 0 0 "[ . 1 . 2]" 1
1642 1 65 LEU MD1 1 66 VAL HB . . 5.070 4.907 4.772 5.082 0.012 16 0 "[ . 1 . 2]" 1
1643 1 65 LEU MD1 1 67 ILE HG13 . . 4.300 4.136 3.629 4.295 . 0 0 "[ . 1 . 2]" 1
1644 1 65 LEU MD2 1 66 VAL H . . 5.110 4.932 4.616 5.074 . 0 0 "[ . 1 . 2]" 1
1645 1 65 LEU MD2 1 67 ILE HG13 . . 3.710 3.372 2.924 3.626 . 0 0 "[ . 1 . 2]" 1
1646 1 65 LEU MD2 1 78 TYR HB3 . . 4.310 3.639 3.031 4.140 . 0 0 "[ . 1 . 2]" 1
1647 1 65 LEU MD2 1 78 TYR QD . . 3.550 2.590 1.976 3.155 . 0 0 "[ . 1 . 2]" 1
1648 1 65 LEU MD2 1 78 TYR QE . . 4.080 2.467 1.970 3.352 . 0 0 "[ . 1 . 2]" 1
1649 1 65 LEU HG 1 66 VAL H . . 4.440 3.583 3.115 3.814 . 0 0 "[ . 1 . 2]" 1
1650 1 66 VAL H 1 66 VAL HB . . 3.280 2.668 2.530 2.715 . 0 0 "[ . 1 . 2]" 1
1651 1 66 VAL H 1 66 VAL MG2 . . 3.120 2.219 2.079 2.474 . 0 0 "[ . 1 . 2]" 1
1652 1 66 VAL HA 1 66 VAL MG1 . . 3.330 2.256 2.138 2.412 . 0 0 "[ . 1 . 2]" 1
1653 1 66 VAL HA 1 66 VAL MG2 . . 3.390 2.438 2.316 2.494 . 0 0 "[ . 1 . 2]" 1
1654 1 66 VAL HA 1 67 ILE H . . 2.930 2.186 2.141 2.253 . 0 0 "[ . 1 . 2]" 1
1655 1 66 VAL HA 1 67 ILE MD . . 4.500 4.414 4.257 4.507 0.007 18 0 "[ . 1 . 2]" 1
1656 1 66 VAL HB 1 67 ILE HA . . 5.500 4.610 4.492 4.723 . 0 0 "[ . 1 . 2]" 1
1657 1 66 VAL MG1 1 67 ILE H . . 3.170 2.397 1.986 2.889 . 0 0 "[ . 1 . 2]" 1
1658 1 66 VAL MG1 1 68 ARG HA . . 4.290 3.545 3.384 3.782 . 0 0 "[ . 1 . 2]" 1
1659 1 66 VAL MG1 1 68 ARG HD2 . . 4.630 3.925 1.945 4.631 0.001 14 0 "[ . 1 . 2]" 1
1660 1 66 VAL MG1 1 68 ARG QD . . 4.020 3.230 1.902 3.706 . 0 0 "[ . 1 . 2]" 1
1661 1 66 VAL MG1 1 68 ARG HD3 . . 4.630 3.569 2.154 4.172 . 0 0 "[ . 1 . 2]" 1
1662 1 66 VAL MG1 1 68 ARG QG . . 3.730 2.901 2.481 3.722 . 0 0 "[ . 1 . 2]" 1
1663 1 66 VAL MG1 1 69 GLY H . . 5.500 5.289 5.174 5.466 . 0 0 "[ . 1 . 2]" 1
1664 1 67 ILE H 1 67 ILE HB . . 3.390 2.649 2.557 2.727 . 0 0 "[ . 1 . 2]" 1
1665 1 67 ILE H 1 67 ILE MD . . 3.810 3.591 3.388 3.806 . 0 0 "[ . 1 . 2]" 1
1666 1 67 ILE H 1 67 ILE HG12 . . 4.370 4.185 4.028 4.301 . 0 0 "[ . 1 . 2]" 1
1667 1 67 ILE H 1 67 ILE HG13 . . 3.690 2.829 2.628 2.962 . 0 0 "[ . 1 . 2]" 1
1668 1 67 ILE H 1 67 ILE MG . . 4.160 3.851 3.814 3.879 . 0 0 "[ . 1 . 2]" 1
1669 1 67 ILE H 1 68 ARG H . . 4.300 3.673 3.492 3.927 . 0 0 "[ . 1 . 2]" 1
1670 1 67 ILE HA 1 67 ILE MD . . 4.160 3.887 3.873 3.906 . 0 0 "[ . 1 . 2]" 1
1671 1 67 ILE HA 1 67 ILE HG12 . . 3.650 2.814 2.729 2.850 . 0 0 "[ . 1 . 2]" 1
1672 1 67 ILE HA 1 67 ILE HG13 . . 3.780 2.719 2.670 2.805 . 0 0 "[ . 1 . 2]" 1
1673 1 67 ILE HA 1 67 ILE MG . . 3.130 2.366 2.255 2.446 . 0 0 "[ . 1 . 2]" 1
1674 1 67 ILE HA 1 68 ARG H . . 2.860 2.338 2.213 2.395 . 0 0 "[ . 1 . 2]" 1
1675 1 67 ILE HA 1 68 ARG HB2 . . 4.900 4.383 4.317 4.484 . 0 0 "[ . 1 . 2]" 1
1676 1 67 ILE HA 1 70 ALA MB . . 5.500 4.982 4.829 5.260 . 0 0 "[ . 1 . 2]" 1
1677 1 67 ILE HB 1 67 ILE MD . . 3.080 2.269 2.120 2.339 . 0 0 "[ . 1 . 2]" 1
1678 1 67 ILE MD 1 74 ASP HB2 . . 5.430 5.197 4.954 5.395 . 0 0 "[ . 1 . 2]" 1
1679 1 67 ILE MD 1 74 ASP HB3 . . 4.140 3.947 3.673 4.160 0.020 4 0 "[ . 1 . 2]" 1
1680 1 67 ILE MD 1 78 TYR QD . . 4.150 3.884 3.677 4.073 . 0 0 "[ . 1 . 2]" 1
1681 1 67 ILE MD 1 78 TYR QE . . 3.730 2.762 2.363 2.958 . 0 0 "[ . 1 . 2]" 1
1682 1 67 ILE MD 1 91 LEU HB2 . . 5.500 4.032 3.708 4.389 . 0 0 "[ . 1 . 2]" 1
1683 1 67 ILE MD 1 91 LEU QB . . 4.670 3.798 3.535 4.095 . 0 0 "[ . 1 . 2]" 1
1684 1 67 ILE MD 1 91 LEU HB3 . . 5.500 4.643 4.423 4.944 . 0 0 "[ . 1 . 2]" 1
1685 1 67 ILE MD 1 91 LEU MD1 . . 3.680 3.503 3.149 3.681 0.001 3 0 "[ . 1 . 2]" 1
1686 1 67 ILE MD 1 91 LEU MD2 . . 2.700 2.444 2.149 2.673 . 0 0 "[ . 1 . 2]" 1
1687 1 67 ILE HG12 1 67 ILE MG . . 3.380 2.082 2.027 2.237 . 0 0 "[ . 1 . 2]" 1
1688 1 67 ILE HG13 1 67 ILE MG . . 3.420 3.135 3.122 3.154 . 0 0 "[ . 1 . 2]" 1
1689 1 67 ILE HG13 1 78 TYR QE . . 5.500 4.565 4.121 5.136 . 0 0 "[ . 1 . 2]" 1
1690 1 67 ILE MG 1 68 ARG H . . 3.580 3.489 3.175 3.584 0.004 14 0 "[ . 1 . 2]" 1
1691 1 67 ILE MG 1 70 ALA H . . 4.200 3.995 3.692 4.198 . 0 0 "[ . 1 . 2]" 1
1692 1 67 ILE MG 1 70 ALA HA . . 3.490 2.658 2.482 2.796 . 0 0 "[ . 1 . 2]" 1
1693 1 67 ILE MG 1 70 ALA MB . . 3.380 2.147 1.951 2.640 . 0 0 "[ . 1 . 2]" 1
1694 1 67 ILE MG 1 71 SER H . . 4.480 4.325 4.094 4.444 . 0 0 "[ . 1 . 2]" 1
1695 1 67 ILE MG 1 74 ASP HB2 . . 4.870 3.738 3.382 3.984 . 0 0 "[ . 1 . 2]" 1
1696 1 68 ARG H 1 68 ARG HB2 . . 3.250 2.325 2.215 2.477 . 0 0 "[ . 1 . 2]" 1
1697 1 68 ARG H 1 68 ARG HB3 . . 4.120 3.557 3.512 3.596 . 0 0 "[ . 1 . 2]" 1
1698 1 68 ARG H 1 68 ARG HD2 . . 5.090 4.180 2.430 4.961 . 0 0 "[ . 1 . 2]" 1
1699 1 68 ARG H 1 68 ARG QD . . 4.420 3.646 1.936 4.173 . 0 0 "[ . 1 . 2]" 1
1700 1 68 ARG H 1 68 ARG HD3 . . 5.090 4.200 1.943 4.957 . 0 0 "[ . 1 . 2]" 1
1701 1 68 ARG H 1 68 ARG HG2 . . 4.100 2.762 2.252 4.011 . 0 0 "[ . 1 . 2]" 1
1702 1 68 ARG H 1 68 ARG QG . . 3.590 2.644 2.226 3.490 . 0 0 "[ . 1 . 2]" 1
1703 1 68 ARG H 1 68 ARG HG3 . . 4.100 3.669 3.500 3.837 . 0 0 "[ . 1 . 2]" 1
1704 1 68 ARG HA 1 68 ARG HD2 . . 4.060 2.517 2.001 3.542 . 0 0 "[ . 1 . 2]" 1
1705 1 68 ARG HA 1 68 ARG HD3 . . 4.060 3.136 2.002 3.719 . 0 0 "[ . 1 . 2]" 1
1706 1 68 ARG HA 1 68 ARG HG2 . . 3.950 2.796 2.449 3.618 . 0 0 "[ . 1 . 2]" 1
1707 1 68 ARG HA 1 68 ARG QG . . 3.380 2.556 2.319 2.817 . 0 0 "[ . 1 . 2]" 1
1708 1 68 ARG HA 1 68 ARG HG3 . . 3.950 3.479 2.348 3.730 . 0 0 "[ . 1 . 2]" 1
1709 1 68 ARG HA 1 69 GLY H . . 2.740 2.187 2.161 2.213 . 0 0 "[ . 1 . 2]" 1
1710 1 68 ARG HA 1 69 GLY HA2 . . 4.450 4.388 4.379 4.397 . 0 0 "[ . 1 . 2]" 1
1711 1 68 ARG HA 1 69 GLY HA3 . . 4.560 4.468 4.436 4.496 . 0 0 "[ . 1 . 2]" 1
1712 1 68 ARG HA 1 70 ALA H . . 4.810 4.756 4.638 4.811 0.001 5 0 "[ . 1 . 2]" 1
1713 1 68 ARG HB2 1 68 ARG QD . . 3.630 3.248 2.283 3.517 . 0 0 "[ . 1 . 2]" 1
1714 1 68 ARG HB2 1 69 GLY H . . 4.360 4.262 4.125 4.371 0.011 4 0 "[ . 1 . 2]" 1
1715 1 68 ARG HB3 1 68 ARG QD . . 3.550 2.618 2.191 3.397 . 0 0 "[ . 1 . 2]" 1
1716 1 68 ARG HB3 1 69 GLY H . . 3.820 3.166 3.011 3.331 . 0 0 "[ . 1 . 2]" 1
1717 1 68 ARG QD 1 69 GLY H . . 4.540 3.290 2.724 4.542 0.002 8 0 "[ . 1 . 2]" 1
1718 1 68 ARG QG 1 69 GLY H . . 4.520 4.213 3.582 4.516 . 0 0 "[ . 1 . 2]" 1
1719 1 68 ARG HG2 1 69 GLY H . . 5.250 4.684 4.373 5.037 . 0 0 "[ . 1 . 2]" 1
1720 1 68 ARG HG3 1 69 GLY H . . 5.250 4.943 3.683 5.240 . 0 0 "[ . 1 . 2]" 1
1721 1 69 GLY H 1 70 ALA MB . . 4.780 4.686 4.543 4.783 0.003 8 0 "[ . 1 . 2]" 1
1722 1 69 GLY HA2 1 70 ALA H . . 3.090 2.355 2.333 2.416 . 0 0 "[ . 1 . 2]" 1
1723 1 69 GLY HA2 1 70 ALA MB . . 4.410 4.219 4.175 4.253 . 0 0 "[ . 1 . 2]" 1
1724 1 70 ALA H 1 70 ALA MB . . 2.660 2.230 2.082 2.319 . 0 0 "[ . 1 . 2]" 1
1725 1 70 ALA H 1 71 SER H . . 4.500 4.229 4.196 4.281 . 0 0 "[ . 1 . 2]" 1
1726 1 70 ALA H 1 74 ASP HB2 . . 5.500 5.424 5.242 5.496 . 0 0 "[ . 1 . 2]" 1
1727 1 70 ALA HA 1 71 SER H . . 2.790 2.187 2.179 2.193 . 0 0 "[ . 1 . 2]" 1
1728 1 70 ALA HA 1 74 ASP HB2 . . 4.300 2.841 2.523 3.095 . 0 0 "[ . 1 . 2]" 1
1729 1 70 ALA HA 1 74 ASP HB3 . . 4.560 3.193 2.855 3.410 . 0 0 "[ . 1 . 2]" 1
1730 1 70 ALA MB 1 71 SER H . . 3.480 3.480 3.460 3.499 0.019 4 0 "[ . 1 . 2]" 1
1731 1 70 ALA MB 1 71 SER HA . . 4.520 4.334 4.270 4.395 . 0 0 "[ . 1 . 2]" 1
1732 1 70 ALA MB 1 74 ASP HB2 . . 4.000 2.851 2.586 3.378 . 0 0 "[ . 1 . 2]" 1
1733 1 70 ALA MB 1 74 ASP HB3 . . 4.270 2.899 2.594 3.179 . 0 0 "[ . 1 . 2]" 1
1734 1 70 ALA MB 1 93 VAL HA . . 5.500 5.247 4.934 5.496 . 0 0 "[ . 1 . 2]" 1
1735 1 70 ALA MB 1 93 VAL QG . . 3.850 2.737 2.357 3.524 . 0 0 "[ . 1 . 2]" 1
1736 1 71 SER H 1 71 SER HB2 . . 4.110 2.516 2.270 3.549 . 0 0 "[ . 1 . 2]" 1
1737 1 71 SER H 1 71 SER QB . . 3.480 2.420 2.245 2.890 . 0 0 "[ . 1 . 2]" 1
1738 1 71 SER H 1 71 SER HB3 . . 4.110 3.556 3.005 3.661 . 0 0 "[ . 1 . 2]" 1
1739 1 71 SER H 1 74 ASP H . . 4.150 3.264 3.089 3.436 . 0 0 "[ . 1 . 2]" 1
1740 1 71 SER H 1 74 ASP HB2 . . 3.670 2.706 2.212 3.072 . 0 0 "[ . 1 . 2]" 1
1741 1 71 SER H 1 74 ASP HB3 . . 4.260 3.885 3.471 4.138 . 0 0 "[ . 1 . 2]" 1
1742 1 71 SER H 1 93 VAL QG . . 4.800 4.091 3.811 4.593 . 0 0 "[ . 1 . 2]" 1
1743 1 71 SER HA 1 93 VAL QG . . 4.010 2.957 2.624 3.444 . 0 0 "[ . 1 . 2]" 1
1744 1 71 SER QB 1 72 LEU H . . 3.690 2.304 2.079 2.564 . 0 0 "[ . 1 . 2]" 1
1745 1 71 SER QB 1 72 LEU HB2 . . 4.700 3.888 3.809 3.997 . 0 0 "[ . 1 . 2]" 1
1746 1 71 SER QB 1 72 LEU MD1 . . 4.840 4.436 4.180 4.669 . 0 0 "[ . 1 . 2]" 1
1747 1 71 SER QB 1 72 LEU HG . . 4.600 3.883 3.613 4.383 . 0 0 "[ . 1 . 2]" 1
1748 1 71 SER QB 1 73 LYS QB . . 4.760 3.102 2.849 3.650 . 0 0 "[ . 1 . 2]" 1
1749 1 71 SER QB 1 74 ASP H . . 4.170 3.034 2.651 3.615 . 0 0 "[ . 1 . 2]" 1
1750 1 71 SER HB2 1 72 LEU H . . 4.340 3.463 2.478 3.910 . 0 0 "[ . 1 . 2]" 1
1751 1 71 SER HB2 1 72 LEU HB2 . . 5.500 5.040 3.886 5.402 . 0 0 "[ . 1 . 2]" 1
1752 1 71 SER HB2 1 74 ASP H . . 4.840 3.125 2.694 3.766 . 0 0 "[ . 1 . 2]" 1
1753 1 71 SER HB3 1 72 LEU H . . 4.340 2.434 2.102 3.593 . 0 0 "[ . 1 . 2]" 1
1754 1 71 SER HB3 1 72 LEU HB2 . . 5.500 4.174 3.920 5.476 . 0 0 "[ . 1 . 2]" 1
1755 1 71 SER HB3 1 74 ASP H . . 4.840 4.149 3.821 4.719 . 0 0 "[ . 1 . 2]" 1
1756 1 72 LEU H 1 72 LEU MD2 . . 4.760 3.229 2.863 3.604 . 0 0 "[ . 1 . 2]" 1
1757 1 72 LEU H 1 72 LEU HG . . 3.830 1.968 1.900 2.171 . 0 0 "[ . 1 . 2]" 1
1758 1 72 LEU HA 1 72 LEU MD1 . . 4.100 3.929 3.895 3.956 . 0 0 "[ . 1 . 2]" 1
1759 1 72 LEU HA 1 72 LEU MD2 . . 2.900 2.178 1.983 2.451 . 0 0 "[ . 1 . 2]" 1
1760 1 72 LEU HA 1 72 LEU HG . . 3.750 3.061 2.823 3.255 . 0 0 "[ . 1 . 2]" 1
1761 1 72 LEU HA 1 74 ASP H . . 4.820 4.595 4.392 4.820 0.000 13 0 "[ . 1 . 2]" 1
1762 1 72 LEU HA 1 75 ALA H . . 4.100 3.839 3.619 4.014 . 0 0 "[ . 1 . 2]" 1
1763 1 72 LEU HA 1 75 ALA MB . . 3.930 3.288 2.953 3.555 . 0 0 "[ . 1 . 2]" 1
1764 1 72 LEU HA 1 93 VAL HB . . 4.040 2.654 2.007 4.054 0.014 4 0 "[ . 1 . 2]" 1
1765 1 72 LEU HA 1 93 VAL MG1 . . 3.700 2.219 1.824 2.630 . 0 0 "[ . 1 . 2]" 1
1766 1 72 LEU HA 1 93 VAL QG . . 3.140 2.167 1.753 2.553 . 0 0 "[ . 1 . 2]" 1
1767 1 72 LEU HA 1 93 VAL MG2 . . 3.700 3.174 2.167 3.661 . 0 0 "[ . 1 . 2]" 1
1768 1 72 LEU HB2 1 72 LEU MD1 . . 3.440 2.210 1.993 2.378 . 0 0 "[ . 1 . 2]" 1
1769 1 72 LEU HB3 1 72 LEU MD1 . . 3.500 2.492 2.313 2.661 . 0 0 "[ . 1 . 2]" 1
1770 1 72 LEU MD1 1 93 VAL QG . . 4.290 4.047 3.737 4.247 . 0 0 "[ . 1 . 2]" 1
1771 1 72 LEU MD2 1 75 ALA MB . . 4.600 4.289 3.964 4.561 . 0 0 "[ . 1 . 2]" 1
1772 1 72 LEU MD2 1 93 VAL H . . 4.800 4.364 4.171 4.760 . 0 0 "[ . 1 . 2]" 1
1773 1 72 LEU MD2 1 93 VAL HB . . 4.460 3.369 2.753 4.465 0.005 4 0 "[ . 1 . 2]" 1
1774 1 72 LEU MD2 1 93 VAL QG . . 3.220 2.063 1.809 2.608 . 0 0 "[ . 1 . 2]" 1
1775 1 72 LEU MD2 1 94 GLU HA . . 3.970 2.558 2.018 3.042 . 0 0 "[ . 1 . 2]" 1
1776 1 72 LEU MD2 1 94 GLU QG . . 5.260 3.748 2.997 4.340 . 0 0 "[ . 1 . 2]" 1
1777 1 72 LEU MD2 1 95 GLU H . . 4.290 2.849 2.217 3.223 . 0 0 "[ . 1 . 2]" 1
1778 1 72 LEU MD2 1 95 GLU HA . . 4.660 4.264 3.723 4.641 . 0 0 "[ . 1 . 2]" 1
1779 1 72 LEU MD2 1 95 GLU QB . . 4.800 3.118 2.575 3.416 . 0 0 "[ . 1 . 2]" 1
1780 1 72 LEU MD2 1 95 GLU QG . . 4.700 4.548 4.187 4.713 0.013 8 0 "[ . 1 . 2]" 1
1781 1 72 LEU HG 1 93 VAL QG . . 4.590 3.120 2.732 3.440 . 0 0 "[ . 1 . 2]" 1
1782 1 73 LYS HA 1 73 LYS QD . . 4.190 3.146 2.044 4.221 0.031 7 0 "[ . 1 . 2]" 1
1783 1 73 LYS HA 1 73 LYS HG2 . . 3.890 3.101 2.224 3.834 . 0 0 "[ . 1 . 2]" 1
1784 1 73 LYS HA 1 73 LYS QG . . 3.220 2.520 2.201 3.266 0.046 7 0 "[ . 1 . 2]" 1
1785 1 73 LYS HA 1 73 LYS HG3 . . 3.890 2.891 2.338 3.744 . 0 0 "[ . 1 . 2]" 1
1786 1 73 LYS HA 1 75 ALA H . . 4.280 3.942 3.566 4.180 . 0 0 "[ . 1 . 2]" 1
1787 1 73 LYS QB 1 74 ASP H . . 3.810 2.513 2.243 3.309 . 0 0 "[ . 1 . 2]" 1
1788 1 73 LYS HB2 1 74 ASP H . . 4.370 3.214 2.510 3.952 . 0 0 "[ . 1 . 2]" 1
1789 1 73 LYS HB3 1 74 ASP H . . 4.370 2.903 2.273 3.550 . 0 0 "[ . 1 . 2]" 1
1790 1 73 LYS QD 1 73 LYS HG2 . . 2.540 2.359 2.154 2.475 . 0 0 "[ . 1 . 2]" 1
1791 1 73 LYS QD 1 73 LYS HG3 . . 2.540 2.306 2.159 2.477 . 0 0 "[ . 1 . 2]" 1
1792 1 73 LYS QG 1 74 ASP H . . 4.570 3.929 2.017 4.540 . 0 0 "[ . 1 . 2]" 1
1793 1 74 ASP H 1 74 ASP HB2 . . 3.360 2.424 2.177 2.580 . 0 0 "[ . 1 . 2]" 1
1794 1 74 ASP H 1 74 ASP HB3 . . 3.780 3.543 3.050 3.621 . 0 0 "[ . 1 . 2]" 1
1795 1 74 ASP H 1 75 ALA H . . 3.070 2.886 2.752 3.070 . 0 0 "[ . 1 . 2]" 1
1796 1 74 ASP H 1 93 VAL QG . . 4.390 4.119 3.766 4.294 . 0 0 "[ . 1 . 2]" 1
1797 1 74 ASP HB2 1 75 ALA H . . 4.150 2.894 2.641 3.717 . 0 0 "[ . 1 . 2]" 1
1798 1 74 ASP HB2 1 91 LEU MD2 . . 4.130 3.312 2.866 4.066 . 0 0 "[ . 1 . 2]" 1
1799 1 74 ASP HB2 1 93 VAL QG . . 4.160 3.222 2.883 4.161 0.001 8 0 "[ . 1 . 2]" 1
1800 1 74 ASP HB3 1 75 ALA H . . 4.420 3.534 2.518 3.864 . 0 0 "[ . 1 . 2]" 1
1801 1 74 ASP HB3 1 91 LEU MD2 . . 3.950 2.708 2.117 3.126 . 0 0 "[ . 1 . 2]" 1
1802 1 74 ASP HB3 1 93 VAL QG . . 4.860 3.956 3.211 4.505 . 0 0 "[ . 1 . 2]" 1
1803 1 75 ALA H 1 75 ALA MB . . 2.710 2.097 2.025 2.248 . 0 0 "[ . 1 . 2]" 1
1804 1 75 ALA H 1 76 GLY H . . 4.740 4.500 4.453 4.624 . 0 0 "[ . 1 . 2]" 1
1805 1 75 ALA H 1 93 VAL HB . . 5.020 3.990 3.466 4.747 . 0 0 "[ . 1 . 2]" 1
1806 1 75 ALA H 1 93 VAL QG . . 3.560 2.867 2.292 3.383 . 0 0 "[ . 1 . 2]" 1
1807 1 75 ALA HA 1 76 GLY H . . 2.730 2.153 2.145 2.232 . 0 0 "[ . 1 . 2]" 1
1808 1 75 ALA HA 1 78 TYR QE . . 4.620 4.028 3.589 4.360 . 0 0 "[ . 1 . 2]" 1
1809 1 75 ALA HA 1 91 LEU H . . 4.640 4.340 3.803 4.623 . 0 0 "[ . 1 . 2]" 1
1810 1 75 ALA HA 1 91 LEU HB2 . . 4.310 4.060 3.741 4.309 . 0 0 "[ . 1 . 2]" 1
1811 1 75 ALA HA 1 91 LEU QB . . 3.540 2.604 2.244 2.888 . 0 0 "[ . 1 . 2]" 1
1812 1 75 ALA HA 1 91 LEU HB3 . . 4.310 2.637 2.261 2.934 . 0 0 "[ . 1 . 2]" 1
1813 1 75 ALA HA 1 91 LEU MD1 . . 4.450 3.833 3.672 4.065 . 0 0 "[ . 1 . 2]" 1
1814 1 75 ALA HA 1 91 LEU MD2 . . 3.380 2.110 1.930 2.532 . 0 0 "[ . 1 . 2]" 1
1815 1 75 ALA HA 1 91 LEU HG . . 4.340 2.221 2.020 2.456 . 0 0 "[ . 1 . 2]" 1
1816 1 75 ALA HA 1 92 HIS HA . . 4.700 4.381 4.031 4.593 . 0 0 "[ . 1 . 2]" 1
1817 1 75 ALA HA 1 93 VAL QG . . 3.580 3.115 2.882 3.374 . 0 0 "[ . 1 . 2]" 1
1818 1 75 ALA MB 1 76 GLY H . . 3.300 3.223 2.857 3.299 . 0 0 "[ . 1 . 2]" 1
1819 1 75 ALA MB 1 76 GLY HA2 . . 4.640 3.944 3.843 4.030 . 0 0 "[ . 1 . 2]" 1
1820 1 75 ALA MB 1 76 GLY QA . . 4.040 3.720 3.629 3.782 . 0 0 "[ . 1 . 2]" 1
1821 1 75 ALA MB 1 76 GLY HA3 . . 4.640 4.561 4.347 4.645 0.005 16 0 "[ . 1 . 2]" 1
1822 1 75 ALA MB 1 91 LEU QB . . 4.280 3.725 3.485 4.090 . 0 0 "[ . 1 . 2]" 1
1823 1 75 ALA MB 1 91 LEU MD1 . . 5.500 3.990 3.651 4.334 . 0 0 "[ . 1 . 2]" 1
1824 1 75 ALA MB 1 91 LEU MD2 . . 3.900 3.318 3.062 3.743 . 0 0 "[ . 1 . 2]" 1
1825 1 75 ALA MB 1 92 HIS H . . 5.410 4.292 3.863 4.606 . 0 0 "[ . 1 . 2]" 1
1826 1 75 ALA MB 1 92 HIS HA . . 3.540 2.733 2.352 2.973 . 0 0 "[ . 1 . 2]" 1
1827 1 75 ALA MB 1 92 HIS HB2 . . 5.500 5.236 4.840 5.499 . 0 0 "[ . 1 . 2]" 1
1828 1 75 ALA MB 1 93 VAL H . . 3.260 2.834 2.381 3.232 . 0 0 "[ . 1 . 2]" 1
1829 1 75 ALA MB 1 93 VAL HA . . 4.820 4.500 4.189 4.761 . 0 0 "[ . 1 . 2]" 1
1830 1 75 ALA MB 1 93 VAL HB . . 3.740 2.884 2.237 3.762 0.022 14 0 "[ . 1 . 2]" 1
1831 1 75 ALA MB 1 93 VAL MG1 . . 4.050 3.337 1.687 4.026 . 0 0 "[ . 1 . 2]" 1
1832 1 75 ALA MB 1 93 VAL QG . . 3.010 2.253 1.685 2.679 . 0 0 "[ . 1 . 2]" 1
1833 1 75 ALA MB 1 93 VAL MG2 . . 4.050 2.816 2.045 3.939 . 0 0 "[ . 1 . 2]" 1
1834 1 75 ALA MB 1 94 GLU QG . . 5.500 5.301 5.018 5.497 . 0 0 "[ . 1 . 2]" 1
1835 1 76 GLY H 1 78 TYR QD . . 4.860 4.297 3.342 4.806 . 0 0 "[ . 1 . 2]" 1
1836 1 76 GLY H 1 78 TYR QE . . 4.120 3.159 2.519 3.631 . 0 0 "[ . 1 . 2]" 1
1837 1 76 GLY H 1 90 SER HA . . 4.940 4.589 4.227 4.940 . 16 0 "[ . 1 . 2]" 1
1838 1 76 GLY H 1 91 LEU H . . 3.390 2.884 2.493 3.244 . 0 0 "[ . 1 . 2]" 1
1839 1 76 GLY H 1 91 LEU HB2 . . 4.100 3.686 3.600 3.872 . 0 0 "[ . 1 . 2]" 1
1840 1 76 GLY H 1 91 LEU QB . . 3.340 1.953 1.888 2.128 . 0 0 "[ . 1 . 2]" 1
1841 1 76 GLY H 1 91 LEU HB3 . . 4.100 1.960 1.894 2.138 . 0 0 "[ . 1 . 2]" 1
1842 1 76 GLY H 1 91 LEU MD2 . . 3.890 2.898 2.404 3.242 . 0 0 "[ . 1 . 2]" 1
1843 1 76 GLY H 1 91 LEU HG . . 4.440 3.484 3.215 3.669 . 0 0 "[ . 1 . 2]" 1
1844 1 76 GLY H 1 92 HIS H . . 5.500 5.456 5.340 5.502 0.002 15 0 "[ . 1 . 2]" 1
1845 1 76 GLY H 1 92 HIS HA . . 5.480 5.281 4.971 5.441 . 0 0 "[ . 1 . 2]" 1
1846 1 76 GLY QA 1 77 GLU H . . 2.660 2.258 2.159 2.283 . 0 0 "[ . 1 . 2]" 1
1847 1 76 GLY QA 1 77 GLU QB . . 4.960 3.818 3.745 3.973 . 0 0 "[ . 1 . 2]" 1
1848 1 76 GLY HA2 1 77 GLU H . . 3.070 2.702 2.439 3.008 . 0 0 "[ . 1 . 2]" 1
1849 1 76 GLY HA3 1 77 GLU H . . 3.070 2.440 2.212 2.697 . 0 0 "[ . 1 . 2]" 1
1850 1 77 GLU H 1 77 GLU HB2 . . 3.430 2.612 2.211 3.259 . 0 0 "[ . 1 . 2]" 1
1851 1 77 GLU H 1 77 GLU QB . . 2.940 2.330 2.187 2.486 . 0 0 "[ . 1 . 2]" 1
1852 1 77 GLU H 1 77 GLU HB3 . . 3.430 2.807 2.454 3.479 0.049 5 0 "[ . 1 . 2]" 1
1853 1 77 GLU H 1 77 GLU HG2 . . 4.800 4.496 4.245 4.675 . 0 0 "[ . 1 . 2]" 1
1854 1 77 GLU H 1 77 GLU QG . . 3.970 3.949 3.298 4.062 0.092 20 0 "[ . 1 . 2]" 1
1855 1 77 GLU H 1 77 GLU HG3 . . 4.800 4.428 3.399 4.811 0.011 8 0 "[ . 1 . 2]" 1
1856 1 77 GLU H 1 78 TYR H . . 4.600 4.415 4.198 4.559 . 0 0 "[ . 1 . 2]" 1
1857 1 77 GLU H 1 91 LEU H . . 5.070 4.942 4.706 5.071 0.001 10 0 "[ . 1 . 2]" 1
1858 1 77 GLU HA 1 77 GLU HG2 . . 3.790 2.878 2.543 3.625 . 0 0 "[ . 1 . 2]" 1
1859 1 77 GLU HA 1 77 GLU HG3 . . 3.790 2.563 2.149 2.865 . 0 0 "[ . 1 . 2]" 1
1860 1 77 GLU HA 1 78 TYR H . . 2.910 2.158 2.138 2.219 . 0 0 "[ . 1 . 2]" 1
1861 1 77 GLU HA 1 78 TYR QD . . 4.470 3.681 3.339 4.209 . 0 0 "[ . 1 . 2]" 1
1862 1 77 GLU HA 1 88 THR MG . . 4.560 4.186 3.654 4.417 . 0 0 "[ . 1 . 2]" 1
1863 1 77 GLU HA 1 89 ALA H . . 4.590 4.116 3.772 4.335 . 0 0 "[ . 1 . 2]" 1
1864 1 77 GLU HA 1 90 SER HA . . 3.200 2.439 2.232 2.654 . 0 0 "[ . 1 . 2]" 1
1865 1 77 GLU HA 1 91 LEU H . . 3.870 3.488 3.269 3.810 . 0 0 "[ . 1 . 2]" 1
1866 1 77 GLU QB 1 78 TYR H . . 3.960 3.673 2.992 3.931 . 0 0 "[ . 1 . 2]" 1
1867 1 77 GLU QB 1 88 THR MG . . 3.780 3.592 2.658 3.786 0.006 12 0 "[ . 1 . 2]" 1
1868 1 77 GLU QB 1 90 SER HA . . 4.910 4.055 3.539 4.474 . 0 0 "[ . 1 . 2]" 1
1869 1 77 GLU HB2 1 78 TYR H . . 4.720 4.356 4.059 4.608 . 0 0 "[ . 1 . 2]" 1
1870 1 77 GLU HB2 1 88 THR MG . . 4.520 4.286 3.995 4.524 0.004 4 0 "[ . 1 . 2]" 1
1871 1 77 GLU HB3 1 78 TYR H . . 4.720 3.992 3.059 4.402 . 0 0 "[ . 1 . 2]" 1
1872 1 77 GLU HB3 1 88 THR MG . . 4.520 3.923 2.694 4.420 . 0 0 "[ . 1 . 2]" 1
1873 1 77 GLU QG 1 88 THR HB . . 4.850 4.606 4.263 4.870 0.020 5 0 "[ . 1 . 2]" 1
1874 1 77 GLU QG 1 88 THR MG . . 3.190 2.119 1.919 2.670 . 0 0 "[ . 1 . 2]" 1
1875 1 77 GLU QG 1 90 SER HA . . 4.320 3.452 2.807 3.972 . 0 0 "[ . 1 . 2]" 1
1876 1 77 GLU HG2 1 78 TYR H . . 4.450 3.208 2.521 4.458 0.008 5 0 "[ . 1 . 2]" 1
1877 1 77 GLU HG2 1 88 THR MG . . 3.700 2.307 1.959 2.847 . 0 0 "[ . 1 . 2]" 1
1878 1 77 GLU HG2 1 90 SER HA . . 4.930 4.544 3.759 4.951 0.021 8 0 "[ . 1 . 2]" 1
1879 1 77 GLU HG3 1 78 TYR H . . 4.450 3.655 2.705 4.337 . 0 0 "[ . 1 . 2]" 1
1880 1 77 GLU HG3 1 88 THR MG . . 3.700 2.698 2.114 3.717 0.017 19 0 "[ . 1 . 2]" 1
1881 1 77 GLU HG3 1 90 SER HA . . 4.930 3.590 2.879 4.190 . 0 0 "[ . 1 . 2]" 1
1882 1 78 TYR H 1 78 TYR HB2 . . 3.540 2.460 2.316 2.567 . 0 0 "[ . 1 . 2]" 1
1883 1 78 TYR H 1 78 TYR QD . . 3.740 2.738 2.231 3.196 . 0 0 "[ . 1 . 2]" 1
1884 1 78 TYR H 1 79 THR H . . 4.550 4.195 4.041 4.391 . 0 0 "[ . 1 . 2]" 1
1885 1 78 TYR H 1 88 THR HA . . 5.170 4.608 4.217 5.171 0.001 4 0 "[ . 1 . 2]" 1
1886 1 78 TYR H 1 88 THR MG . . 4.220 3.942 3.264 4.230 0.010 4 0 "[ . 1 . 2]" 1
1887 1 78 TYR H 1 89 ALA H . . 3.740 2.916 2.529 3.406 . 0 0 "[ . 1 . 2]" 1
1888 1 78 TYR H 1 89 ALA MB . . 4.920 3.374 3.107 3.694 . 0 0 "[ . 1 . 2]" 1
1889 1 78 TYR H 1 90 SER HA . . 3.880 3.571 2.944 3.885 0.005 5 0 "[ . 1 . 2]" 1
1890 1 78 TYR H 1 91 LEU H . . 4.590 4.325 3.888 4.593 0.003 5 0 "[ . 1 . 2]" 1
1891 1 78 TYR HA 1 78 TYR QD . . 4.030 2.930 2.568 3.132 . 0 0 "[ . 1 . 2]" 1
1892 1 78 TYR HA 1 79 THR H . . 2.780 2.161 2.137 2.188 . 0 0 "[ . 1 . 2]" 1
1893 1 78 TYR HA 1 79 THR HA . . 4.690 4.413 4.392 4.436 . 0 0 "[ . 1 . 2]" 1
1894 1 78 TYR HA 1 79 THR HB . . 4.630 4.634 4.505 4.680 0.050 6 0 "[ . 1 . 2]" 1
1895 1 78 TYR HA 1 80 CYS H . . 5.500 5.546 5.451 5.596 0.096 20 0 "[ . 1 . 2]" 1
1896 1 78 TYR HA 1 89 ALA MB . . 5.500 5.206 4.798 5.396 . 0 0 "[ . 1 . 2]" 1
1897 1 78 TYR HB2 1 89 ALA H . . 4.480 3.864 3.489 4.287 . 0 0 "[ . 1 . 2]" 1
1898 1 78 TYR HB2 1 89 ALA MB . . 4.970 2.981 2.365 3.308 . 0 0 "[ . 1 . 2]" 1
1899 1 78 TYR HB3 1 79 THR H . . 3.850 3.727 3.475 3.860 0.010 19 0 "[ . 1 . 2]" 1
1900 1 78 TYR QD 1 79 THR H . . 4.880 4.432 4.186 4.644 . 0 0 "[ . 1 . 2]" 1
1901 1 78 TYR QD 1 89 ALA MB . . 5.500 3.768 3.277 4.534 . 0 0 "[ . 1 . 2]" 1
1902 1 78 TYR QD 1 90 SER HA . . 4.570 4.113 3.591 4.528 . 0 0 "[ . 1 . 2]" 1
1903 1 78 TYR QD 1 91 LEU H . . 3.940 3.416 2.953 3.775 . 0 0 "[ . 1 . 2]" 1
1904 1 78 TYR QD 1 91 LEU HB2 . . 4.490 3.291 3.019 3.651 . 0 0 "[ . 1 . 2]" 1
1905 1 78 TYR QD 1 91 LEU HB3 . . 4.490 3.519 3.200 3.887 . 0 0 "[ . 1 . 2]" 1
1906 1 78 TYR QD 1 91 LEU MD2 . . 4.530 4.079 3.763 4.405 . 0 0 "[ . 1 . 2]" 1
1907 1 78 TYR QE 1 91 LEU H . . 5.290 3.813 3.091 4.410 . 0 0 "[ . 1 . 2]" 1
1908 1 78 TYR QE 1 91 LEU HB2 . . 4.070 2.573 1.998 3.516 . 0 0 "[ . 1 . 2]" 1
1909 1 78 TYR QE 1 91 LEU QB . . 3.520 2.182 1.812 2.616 . 0 0 "[ . 1 . 2]" 1
1910 1 78 TYR QE 1 91 LEU HB3 . . 4.070 2.392 2.000 2.859 . 0 0 "[ . 1 . 2]" 1
1911 1 78 TYR QE 1 91 LEU MD1 . . 5.500 3.989 3.570 4.679 . 0 0 "[ . 1 . 2]" 1
1912 1 78 TYR QE 1 91 LEU MD2 . . 3.740 2.187 1.968 2.484 . 0 0 "[ . 1 . 2]" 1
1913 1 79 THR H 1 79 THR HB . . 3.210 2.508 2.427 2.550 . 0 0 "[ . 1 . 2]" 1
1914 1 79 THR H 1 79 THR MG . . 3.920 3.795 3.756 3.817 . 0 0 "[ . 1 . 2]" 1
1915 1 79 THR HA 1 79 THR MG . . 3.240 2.382 2.292 2.474 . 0 0 "[ . 1 . 2]" 1
1916 1 79 THR HA 1 80 CYS H . . 2.860 2.155 2.148 2.174 . 0 0 "[ . 1 . 2]" 1
1917 1 79 THR HA 1 80 CYS HB2 . . 5.500 4.382 4.292 4.774 . 0 0 "[ . 1 . 2]" 1
1918 1 79 THR HA 1 80 CYS QB . . 4.660 4.145 4.098 4.179 . 0 0 "[ . 1 . 2]" 1
1919 1 79 THR HA 1 80 CYS HB3 . . 5.500 5.253 4.497 5.607 0.107 16 0 "[ . 1 . 2]" 1
1920 1 79 THR HA 1 87 SER H . . 4.770 4.323 4.099 4.739 . 0 0 "[ . 1 . 2]" 1
1921 1 79 THR HA 1 88 THR HA . . 3.210 2.294 1.987 2.511 . 0 0 "[ . 1 . 2]" 1
1922 1 79 THR HA 1 88 THR MG . . 4.040 3.447 2.968 3.765 . 0 0 "[ . 1 . 2]" 1
1923 1 79 THR HA 1 89 ALA H . . 3.980 3.751 3.305 3.994 0.014 10 0 "[ . 1 . 2]" 1
1924 1 79 THR HB 1 80 CYS H . . 4.830 4.391 4.355 4.468 . 0 0 "[ . 1 . 2]" 1
1925 1 79 THR MG 1 80 CYS H . . 3.430 2.948 2.800 3.077 . 0 0 "[ . 1 . 2]" 1
1926 1 79 THR MG 1 80 CYS HA . . 4.580 4.013 3.863 4.161 . 0 0 "[ . 1 . 2]" 1
1927 1 79 THR MG 1 81 GLU H . . 4.380 3.275 3.077 3.665 . 0 0 "[ . 1 . 2]" 1
1928 1 79 THR MG 1 81 GLU HB2 . . 3.740 2.945 2.701 3.209 . 0 0 "[ . 1 . 2]" 1
1929 1 79 THR MG 1 81 GLU HB3 . . 5.500 4.452 4.187 4.717 . 0 0 "[ . 1 . 2]" 1
1930 1 79 THR MG 1 81 GLU HG2 . . 4.840 4.710 3.966 4.851 0.011 16 0 "[ . 1 . 2]" 1
1931 1 79 THR MG 1 81 GLU HG3 . . 3.860 3.600 3.344 3.895 0.035 13 0 "[ . 1 . 2]" 1
1932 1 79 THR MG 1 86 LYS HA . . 4.500 4.291 3.868 4.524 0.024 7 0 "[ . 1 . 2]" 1
1933 1 79 THR MG 1 86 LYS HB2 . . 4.620 3.874 2.435 4.661 0.041 5 0 "[ . 1 . 2]" 1
1934 1 79 THR MG 1 86 LYS QB . . 3.820 3.261 2.408 3.834 0.014 3 0 "[ . 1 . 2]" 1
1935 1 79 THR MG 1 86 LYS HB3 . . 4.620 3.904 3.058 4.397 . 0 0 "[ . 1 . 2]" 1
1936 1 79 THR MG 1 86 LYS QD . . 3.190 2.129 1.788 2.669 . 0 0 "[ . 1 . 2]" 1
1937 1 79 THR MG 1 86 LYS QE . . 4.220 3.212 2.481 4.133 . 0 0 "[ . 1 . 2]" 1
1938 1 79 THR MG 1 86 LYS QG . . 3.910 2.993 1.926 3.919 0.009 6 0 "[ . 1 . 2]" 1
1939 1 79 THR MG 1 87 SER H . . 3.540 3.335 2.883 3.542 0.002 13 0 "[ . 1 . 2]" 1
1940 1 79 THR MG 1 88 THR H . . 4.940 4.874 4.576 4.983 0.043 13 0 "[ . 1 . 2]" 1
1941 1 79 THR MG 1 88 THR HA . . 4.180 3.640 3.332 3.844 . 0 0 "[ . 1 . 2]" 1
1942 1 79 THR MG 1 88 THR HB . . 5.270 4.878 4.420 5.181 . 0 0 "[ . 1 . 2]" 1
1943 1 80 CYS H 1 80 CYS HB2 . . 3.840 2.346 2.177 2.912 . 0 0 "[ . 1 . 2]" 1
1944 1 80 CYS H 1 80 CYS QB . . 3.290 2.226 2.156 2.331 . 0 0 "[ . 1 . 2]" 1
1945 1 80 CYS H 1 80 CYS HB3 . . 3.840 3.118 2.374 3.478 . 0 0 "[ . 1 . 2]" 1
1946 1 80 CYS H 1 81 GLU HB2 . . 5.500 5.543 5.477 5.629 0.129 5 0 "[ . 1 . 2]" 1
1947 1 80 CYS H 1 86 LYS HA . . 5.300 4.933 4.680 5.262 . 0 0 "[ . 1 . 2]" 1
1948 1 80 CYS H 1 86 LYS QB . . 5.340 5.154 4.679 5.429 0.089 20 0 "[ . 1 . 2]" 1
1949 1 80 CYS H 1 86 LYS QD . . 5.500 5.230 4.536 5.549 0.049 6 0 "[ . 1 . 2]" 1
1950 1 80 CYS H 1 87 SER H . . 3.480 3.005 2.848 3.430 . 0 0 "[ . 1 . 2]" 1
1951 1 80 CYS H 1 87 SER HB3 . . 4.690 3.101 2.596 3.389 . 0 0 "[ . 1 . 2]" 1
1952 1 80 CYS H 1 88 THR HA . . 3.900 3.498 3.219 3.770 . 0 0 "[ . 1 . 2]" 1
1953 1 80 CYS H 1 88 THR MG . . 5.360 5.056 4.629 5.363 0.003 11 0 "[ . 1 . 2]" 1
1954 1 80 CYS HA 1 80 CYS HG . . 3.890 2.661 2.431 3.342 . 0 0 "[ . 1 . 2]" 1
1955 1 80 CYS HA 1 81 GLU H . . 2.830 2.270 2.211 2.362 . 0 0 "[ . 1 . 2]" 1
1956 1 80 CYS HA 1 81 GLU HB2 . . 4.860 4.523 4.446 4.666 . 0 0 "[ . 1 . 2]" 1
1957 1 80 CYS QB 1 87 SER H . . 4.190 2.967 2.574 3.632 . 0 0 "[ . 1 . 2]" 1
1958 1 80 CYS QB 1 87 SER HB3 . . 4.470 2.267 1.927 2.803 . 0 0 "[ . 1 . 2]" 1
1959 1 80 CYS HB2 1 81 GLU H . . 4.650 4.608 4.471 4.656 0.006 13 0 "[ . 1 . 2]" 1
1960 1 80 CYS HB3 1 81 GLU H . . 4.650 4.229 3.974 4.519 . 0 0 "[ . 1 . 2]" 1
1961 1 80 CYS HG 1 81 GLU H . . 4.720 4.564 4.072 4.737 0.017 3 0 "[ . 1 . 2]" 1
1962 1 81 GLU H 1 81 GLU HB2 . . 3.670 2.322 2.221 2.460 . 0 0 "[ . 1 . 2]" 1
1963 1 81 GLU H 1 81 GLU HB3 . . 3.690 2.842 2.736 2.898 . 0 0 "[ . 1 . 2]" 1
1964 1 81 GLU H 1 81 GLU HG2 . . 4.500 4.470 4.252 4.532 0.032 14 0 "[ . 1 . 2]" 1
1965 1 81 GLU H 1 81 GLU HG3 . . 4.750 4.297 4.181 4.446 . 0 0 "[ . 1 . 2]" 1
1966 1 81 GLU H 1 82 VAL H . . 4.790 4.405 4.180 4.597 . 0 0 "[ . 1 . 2]" 1
1967 1 81 GLU HA 1 81 GLU HG3 . . 3.610 2.743 2.552 3.437 . 0 0 "[ . 1 . 2]" 1
1968 1 81 GLU HA 1 82 VAL H . . 2.930 2.158 2.139 2.218 . 0 0 "[ . 1 . 2]" 1
1969 1 81 GLU HA 1 82 VAL MG1 . . 4.420 4.237 4.145 4.333 . 0 0 "[ . 1 . 2]" 1
1970 1 81 GLU HA 1 86 LYS HA . . 3.440 2.591 1.991 2.946 . 0 0 "[ . 1 . 2]" 1
1971 1 81 GLU HA 1 86 LYS QB . . 4.120 2.610 1.884 3.749 . 0 0 "[ . 1 . 2]" 1
1972 1 81 GLU HA 1 86 LYS QD . . 4.250 3.425 2.653 3.832 . 0 0 "[ . 1 . 2]" 1
1973 1 81 GLU HA 1 86 LYS QG . . 4.600 2.662 1.935 4.029 . 0 0 "[ . 1 . 2]" 1
1974 1 81 GLU HA 1 87 SER H . . 4.300 3.673 3.211 3.992 . 0 0 "[ . 1 . 2]" 1
1975 1 81 GLU HB2 1 82 VAL H . . 5.420 4.500 4.274 4.629 . 0 0 "[ . 1 . 2]" 1
1976 1 81 GLU HB2 1 86 LYS QG . . 4.860 4.014 3.247 4.913 0.053 16 0 "[ . 1 . 2]" 1
1977 1 81 GLU HB3 1 82 VAL H . . 5.070 4.083 3.695 4.286 . 0 0 "[ . 1 . 2]" 1
1978 1 81 GLU HG2 1 82 VAL H . . 4.390 3.127 2.705 3.756 . 0 0 "[ . 1 . 2]" 1
1979 1 81 GLU HG2 1 82 VAL HA . . 5.180 4.791 4.529 5.225 0.045 13 0 "[ . 1 . 2]" 1
1980 1 81 GLU HG2 1 86 LYS QB . . 4.720 3.415 2.113 4.730 0.010 6 0 "[ . 1 . 2]" 1
1981 1 81 GLU HG2 1 86 LYS QD . . 4.470 3.579 2.396 4.488 0.018 3 0 "[ . 1 . 2]" 1
1982 1 81 GLU HG2 1 86 LYS QG . . 4.630 3.620 2.527 4.621 . 0 0 "[ . 1 . 2]" 1
1983 1 81 GLU HG3 1 82 VAL H . . 4.640 4.235 3.980 4.653 0.013 3 0 "[ . 1 . 2]" 1
1984 1 81 GLU HG3 1 86 LYS QB . . 4.390 3.204 1.944 4.411 0.021 6 0 "[ . 1 . 2]" 1
1985 1 81 GLU HG3 1 86 LYS QD . . 4.280 2.517 1.858 3.617 . 0 0 "[ . 1 . 2]" 1
1986 1 81 GLU HG3 1 86 LYS QG . . 4.300 3.215 2.716 3.966 . 0 0 "[ . 1 . 2]" 1
1987 1 82 VAL H 1 82 VAL HB . . 3.480 2.647 2.390 2.960 . 0 0 "[ . 1 . 2]" 1
1988 1 82 VAL H 1 82 VAL MG1 . . 3.490 2.451 2.353 2.554 . 0 0 "[ . 1 . 2]" 1
1989 1 82 VAL H 1 82 VAL MG2 . . 4.500 3.844 3.736 3.961 . 0 0 "[ . 1 . 2]" 1
1990 1 82 VAL H 1 83 GLU H . . 5.200 4.454 4.386 4.519 . 0 0 "[ . 1 . 2]" 1
1991 1 82 VAL H 1 85 SER QB . . 4.720 4.187 3.806 4.567 . 0 0 "[ . 1 . 2]" 1
1992 1 82 VAL H 1 86 LYS HA . . 3.760 2.643 2.206 3.141 . 0 0 "[ . 1 . 2]" 1
1993 1 82 VAL H 1 86 LYS QB . . 5.340 3.412 2.630 4.536 . 0 0 "[ . 1 . 2]" 1
1994 1 82 VAL HA 1 82 VAL MG1 . . 3.330 3.158 3.143 3.169 . 0 0 "[ . 1 . 2]" 1
1995 1 82 VAL HA 1 82 VAL MG2 . . 3.270 2.041 1.988 2.065 . 0 0 "[ . 1 . 2]" 1
1996 1 82 VAL HA 1 83 GLU H . . 2.840 2.615 2.563 2.656 . 0 0 "[ . 1 . 2]" 1
1997 1 82 VAL HA 1 83 GLU HA . . 4.430 4.337 4.325 4.349 . 0 0 "[ . 1 . 2]" 1
1998 1 82 VAL HA 1 83 GLU QG . . 4.700 4.126 3.936 4.260 . 0 0 "[ . 1 . 2]" 1
1999 1 82 VAL HA 1 85 SER H . . 5.500 5.470 5.246 5.583 0.083 18 0 "[ . 1 . 2]" 1
2000 1 82 VAL HB 1 83 GLU H . . 3.830 3.684 3.647 3.725 . 0 0 "[ . 1 . 2]" 1
2001 1 82 VAL HB 1 84 ALA H . . 5.260 5.102 4.796 5.282 0.022 18 0 "[ . 1 . 2]" 1
2002 1 82 VAL HB 1 85 SER H . . 5.040 4.617 4.409 4.805 . 0 0 "[ . 1 . 2]" 1
2003 1 82 VAL HB 1 85 SER QB . . 4.180 3.711 3.492 3.929 . 0 0 "[ . 1 . 2]" 1
2004 1 82 VAL HB 1 86 LYS HA . . 4.420 3.905 3.636 4.288 . 0 0 "[ . 1 . 2]" 1
2005 1 82 VAL HB 1 87 SER H . . 5.430 5.310 5.021 5.459 0.029 19 0 "[ . 1 . 2]" 1
2006 1 82 VAL MG1 1 83 GLU H . . 3.840 2.467 2.141 2.776 . 0 0 "[ . 1 . 2]" 1
2007 1 82 VAL MG1 1 83 GLU HA . . 4.770 3.995 3.814 4.192 . 0 0 "[ . 1 . 2]" 1
2008 1 82 VAL MG1 1 83 GLU HB2 . . 4.720 3.664 3.045 4.227 . 0 0 "[ . 1 . 2]" 1
2009 1 82 VAL MG1 1 83 GLU HG2 . . 4.790 2.853 2.061 3.445 . 0 0 "[ . 1 . 2]" 1
2010 1 82 VAL MG1 1 83 GLU QG . . 3.990 2.061 1.886 2.568 . 0 0 "[ . 1 . 2]" 1
2011 1 82 VAL MG1 1 83 GLU HG3 . . 4.790 2.604 1.915 4.015 . 0 0 "[ . 1 . 2]" 1
2012 1 82 VAL MG1 1 84 ALA H . . 4.370 2.237 1.941 2.494 . 0 0 "[ . 1 . 2]" 1
2013 1 82 VAL MG1 1 84 ALA MB . . 4.680 3.745 3.551 3.905 . 0 0 "[ . 1 . 2]" 1
2014 1 82 VAL MG1 1 85 SER H . . 3.360 1.943 1.807 2.038 . 0 0 "[ . 1 . 2]" 1
2015 1 82 VAL MG1 1 85 SER QB . . 3.400 1.854 1.770 1.925 . 0 0 "[ . 1 . 2]" 1
2016 1 82 VAL MG1 1 86 LYS HA . . 4.450 3.482 3.216 3.844 . 0 0 "[ . 1 . 2]" 1
2017 1 82 VAL MG1 1 87 SER H . . 5.500 5.202 4.926 5.509 0.009 15 0 "[ . 1 . 2]" 1
2018 1 82 VAL MG2 1 83 GLU H . . 3.780 1.795 1.739 1.897 . 0 0 "[ . 1 . 2]" 1
2019 1 82 VAL MG2 1 83 GLU HA . . 4.860 3.985 3.915 4.086 . 0 0 "[ . 1 . 2]" 1
2020 1 82 VAL MG2 1 83 GLU HB2 . . 4.680 4.171 3.896 4.438 . 0 0 "[ . 1 . 2]" 1
2021 1 82 VAL MG2 1 83 GLU HG2 . . 4.200 2.147 1.949 3.008 . 0 0 "[ . 1 . 2]" 1
2022 1 82 VAL MG2 1 83 GLU QG . . 3.630 1.935 1.873 2.078 . 0 0 "[ . 1 . 2]" 1
2023 1 82 VAL MG2 1 83 GLU HG3 . . 4.200 2.635 1.946 3.434 . 0 0 "[ . 1 . 2]" 1
2024 1 82 VAL MG2 1 84 ALA H . . 4.940 3.788 3.557 4.082 . 0 0 "[ . 1 . 2]" 1
2025 1 82 VAL MG2 1 85 SER QB . . 3.980 3.901 3.691 4.051 0.071 11 0 "[ . 1 . 2]" 1
2026 1 83 GLU H 1 83 GLU HA . . 2.890 2.639 2.619 2.656 . 0 0 "[ . 1 . 2]" 1
2027 1 83 GLU H 1 83 GLU HB3 . . 4.190 3.108 2.738 3.446 . 0 0 "[ . 1 . 2]" 1
2028 1 83 GLU H 1 83 GLU HG2 . . 3.850 2.153 1.872 3.142 . 0 0 "[ . 1 . 2]" 1
2029 1 83 GLU H 1 83 GLU QG . . 3.170 1.937 1.757 2.048 . 0 0 "[ . 1 . 2]" 1
2030 1 83 GLU H 1 83 GLU HG3 . . 3.850 2.641 1.913 3.305 . 0 0 "[ . 1 . 2]" 1
2031 1 83 GLU H 1 84 ALA H . . 3.930 3.364 3.202 3.461 . 0 0 "[ . 1 . 2]" 1
2032 1 83 GLU HA 1 83 GLU HG2 . . 4.110 3.614 2.911 4.109 . 0 0 "[ . 1 . 2]" 1
2033 1 83 GLU HA 1 83 GLU QG . . 3.500 3.244 2.808 3.320 . 0 0 "[ . 1 . 2]" 1
2034 1 83 GLU HA 1 83 GLU HG3 . . 4.110 3.729 3.505 3.965 . 0 0 "[ . 1 . 2]" 1
2035 1 83 GLU HA 1 84 ALA HA . . 4.950 4.551 4.547 4.560 . 0 0 "[ . 1 . 2]" 1
2036 1 83 GLU HA 1 84 ALA MB . . 5.000 4.661 4.581 4.721 . 0 0 "[ . 1 . 2]" 1
2037 1 83 GLU HA 1 85 SER H . . 5.500 5.222 5.075 5.407 . 0 0 "[ . 1 . 2]" 1
2038 1 83 GLU HB2 1 84 ALA H . . 3.100 2.364 1.889 3.039 . 0 0 "[ . 1 . 2]" 1
2039 1 83 GLU HB2 1 84 ALA MB . . 4.830 3.153 2.952 3.512 . 0 0 "[ . 1 . 2]" 1
2040 1 83 GLU HB2 1 85 SER H . . 4.850 4.186 3.562 4.890 0.040 12 0 "[ . 1 . 2]" 1
2041 1 83 GLU HB3 1 84 ALA H . . 3.810 3.641 3.429 3.838 0.028 13 0 "[ . 1 . 2]" 1
2042 1 83 GLU HB3 1 84 ALA HA . . 5.500 5.441 5.102 5.753 0.253 13 0 "[ . 1 . 2]" 1
2043 1 83 GLU QG 1 84 ALA H . . 3.460 2.390 1.867 3.077 . 0 0 "[ . 1 . 2]" 1
2044 1 83 GLU QG 1 84 ALA HA . . 5.340 5.016 4.632 5.543 0.203 19 0 "[ . 1 . 2]" 1
2045 1 83 GLU QG 1 84 ALA MB . . 4.650 3.961 3.560 4.410 . 0 0 "[ . 1 . 2]" 1
2046 1 83 GLU QG 1 85 SER H . . 4.670 3.419 2.797 4.335 . 0 0 "[ . 1 . 2]" 1
2047 1 83 GLU HG2 1 84 ALA MB . . 5.330 4.918 4.503 5.507 0.177 15 0 "[ . 1 . 2]" 1
2048 1 83 GLU HG3 1 84 ALA MB . . 5.330 4.278 3.644 5.072 . 0 0 "[ . 1 . 2]" 1
2049 1 84 ALA H 1 84 ALA MB . . 3.190 2.438 2.351 2.516 . 0 0 "[ . 1 . 2]" 1
2050 1 84 ALA MB 1 85 SER H . . 3.650 2.757 2.513 2.941 . 0 0 "[ . 1 . 2]" 1
2051 1 84 ALA MB 1 85 SER QB . . 4.610 3.941 3.606 4.265 . 0 0 "[ . 1 . 2]" 1
2052 1 85 SER H 1 85 SER QB . . 3.080 2.214 2.140 2.309 . 0 0 "[ . 1 . 2]" 1
2053 1 85 SER HA 1 86 LYS H . . 3.530 2.584 2.442 2.657 . 0 0 "[ . 1 . 2]" 1
2054 1 85 SER QB 1 86 LYS H . . 3.410 2.458 1.916 3.005 . 0 0 "[ . 1 . 2]" 1
2055 1 86 LYS H 1 86 LYS HB2 . . 4.000 3.531 2.855 4.085 0.085 9 0 "[ . 1 . 2]" 1
2056 1 86 LYS H 1 86 LYS QB . . 3.440 2.972 2.784 3.306 . 0 0 "[ . 1 . 2]" 1
2057 1 86 LYS H 1 86 LYS HB3 . . 4.000 3.403 2.983 3.930 . 0 0 "[ . 1 . 2]" 1
2058 1 86 LYS H 1 86 LYS QG . . 4.110 3.632 2.825 4.234 0.124 3 0 "[ . 1 . 2]" 1
2059 1 86 LYS HA 1 86 LYS QD . . 4.850 3.983 3.562 4.230 . 0 0 "[ . 1 . 2]" 1
2060 1 86 LYS HA 1 86 LYS QG . . 3.960 2.688 2.157 3.436 . 0 0 "[ . 1 . 2]" 1
2061 1 86 LYS HA 1 87 SER H . . 2.760 2.253 2.153 2.396 . 0 0 "[ . 1 . 2]" 1
2062 1 86 LYS QB 1 86 LYS QD . . 3.170 2.184 2.014 2.348 . 0 0 "[ . 1 . 2]" 1
2063 1 86 LYS QB 1 86 LYS QE . . 4.490 2.516 1.917 3.679 . 0 0 "[ . 1 . 2]" 1
2064 1 86 LYS QB 1 87 SER H . . 3.560 3.126 2.441 3.565 0.005 20 0 "[ . 1 . 2]" 1
2065 1 86 LYS QB 1 87 SER HA . . 5.340 4.437 3.887 4.773 . 0 0 "[ . 1 . 2]" 1
2066 1 86 LYS QD 1 87 SER H . . 5.080 4.172 3.449 4.457 . 0 0 "[ . 1 . 2]" 1
2067 1 86 LYS QE 1 86 LYS QG . . 3.340 2.342 2.124 2.761 . 0 0 "[ . 1 . 2]" 1
2068 1 86 LYS QG 1 87 SER H . . 4.340 3.118 1.979 4.245 . 0 0 "[ . 1 . 2]" 1
2069 1 87 SER H 1 87 SER HB2 . . 3.800 3.111 2.890 3.565 . 0 0 "[ . 1 . 2]" 1
2070 1 87 SER H 1 87 SER HB3 . . 3.550 2.709 2.544 2.929 . 0 0 "[ . 1 . 2]" 1
2071 1 87 SER HA 1 87 SER HG . . 3.770 3.026 2.354 3.584 . 0 0 "[ . 1 . 2]" 1
2072 1 87 SER HA 1 88 THR H . . 3.030 2.381 2.151 2.647 . 0 0 "[ . 1 . 2]" 1
2073 1 87 SER HA 1 88 THR HB . . 4.860 4.612 4.468 4.779 . 0 0 "[ . 1 . 2]" 1
2074 1 87 SER HB2 1 88 THR H . . 4.190 3.844 3.526 4.161 . 0 0 "[ . 1 . 2]" 1
2075 1 87 SER HB3 1 88 THR H . . 4.610 3.622 3.115 4.385 . 0 0 "[ . 1 . 2]" 1
2076 1 87 SER HG 1 88 THR H . . 3.910 2.521 1.996 3.188 . 0 0 "[ . 1 . 2]" 1
2077 1 88 THR H 1 88 THR HB . . 3.300 2.901 2.650 3.097 . 0 0 "[ . 1 . 2]" 1
2078 1 88 THR H 1 88 THR MG . . 4.060 3.953 3.853 4.028 . 0 0 "[ . 1 . 2]" 1
2079 1 88 THR H 1 89 ALA H . . 4.720 4.304 4.091 4.494 . 0 0 "[ . 1 . 2]" 1
2080 1 88 THR H 1 89 ALA MB . . 4.670 4.399 4.064 4.676 0.006 5 0 "[ . 1 . 2]" 1
2081 1 88 THR HA 1 88 THR MG . . 3.230 2.339 2.172 2.447 . 0 0 "[ . 1 . 2]" 1
2082 1 88 THR HA 1 89 ALA H . . 2.860 2.212 2.146 2.329 . 0 0 "[ . 1 . 2]" 1
2083 1 88 THR HA 1 89 ALA MB . . 4.500 3.876 3.768 3.960 . 0 0 "[ . 1 . 2]" 1
2084 1 88 THR HB 1 89 ALA H . . 4.160 3.938 3.523 4.159 . 0 0 "[ . 1 . 2]" 1
2085 1 88 THR MG 1 89 ALA H . . 3.260 2.262 2.007 2.555 . 0 0 "[ . 1 . 2]" 1
2086 1 88 THR MG 1 89 ALA HA . . 4.140 3.498 3.227 3.755 . 0 0 "[ . 1 . 2]" 1
2087 1 88 THR MG 1 90 SER H . . 5.090 4.969 4.261 5.106 0.016 5 0 "[ . 1 . 2]" 1
2088 1 88 THR MG 1 90 SER HA . . 5.300 4.937 4.491 5.118 . 0 0 "[ . 1 . 2]" 1
2089 1 89 ALA H 1 89 ALA MB . . 3.500 2.650 2.516 2.796 . 0 0 "[ . 1 . 2]" 1
2090 1 89 ALA H 1 90 SER H . . 4.560 4.389 4.278 4.441 . 0 0 "[ . 1 . 2]" 1
2091 1 89 ALA HA 1 90 SER H . . 2.910 2.506 2.218 2.629 . 0 0 "[ . 1 . 2]" 1
2092 1 89 ALA MB 1 90 SER H . . 2.910 2.291 1.954 2.914 0.004 19 0 "[ . 1 . 2]" 1
2093 1 89 ALA MB 1 90 SER HA . . 4.780 3.919 3.803 4.142 . 0 0 "[ . 1 . 2]" 1
2094 1 89 ALA MB 1 90 SER QB . . 4.560 4.331 4.064 4.561 0.001 19 0 "[ . 1 . 2]" 1
2095 1 90 SER H 1 90 SER HB2 . . 3.890 2.975 2.312 3.919 0.029 6 0 "[ . 1 . 2]" 1
2096 1 90 SER H 1 90 SER QB . . 3.040 2.676 2.283 3.029 . 0 0 "[ . 1 . 2]" 1
2097 1 90 SER H 1 90 SER HB3 . . 3.890 3.481 2.449 3.898 0.008 5 0 "[ . 1 . 2]" 1
2098 1 90 SER HA 1 91 LEU H . . 2.810 2.148 2.139 2.168 . 0 0 "[ . 1 . 2]" 1
2099 1 90 SER HA 1 91 LEU HB2 . . 5.500 4.804 4.731 4.906 . 0 0 "[ . 1 . 2]" 1
2100 1 90 SER HA 1 91 LEU QB . . 4.780 4.048 4.001 4.090 . 0 0 "[ . 1 . 2]" 1
2101 1 90 SER HA 1 91 LEU HB3 . . 5.500 4.359 4.272 4.423 . 0 0 "[ . 1 . 2]" 1
2102 1 90 SER QB 1 91 LEU H . . 3.690 3.478 3.275 3.708 0.018 4 0 "[ . 1 . 2]" 1
2103 1 90 SER HB2 1 92 HIS HE1 . . 4.630 4.256 3.398 4.629 . 0 0 "[ . 1 . 2]" 1
2104 1 90 SER HB3 1 92 HIS HE1 . . 4.630 3.813 3.204 4.584 . 0 0 "[ . 1 . 2]" 1
2105 1 91 LEU H 1 91 LEU HB2 . . 3.660 2.948 2.765 3.122 . 0 0 "[ . 1 . 2]" 1
2106 1 91 LEU H 1 91 LEU QB . . 3.120 2.197 2.160 2.246 . 0 0 "[ . 1 . 2]" 1
2107 1 91 LEU H 1 91 LEU HB3 . . 3.660 2.269 2.206 2.309 . 0 0 "[ . 1 . 2]" 1
2108 1 91 LEU H 1 91 LEU MD1 . . 4.480 4.282 4.161 4.376 . 0 0 "[ . 1 . 2]" 1
2109 1 91 LEU H 1 91 LEU MD2 . . 4.310 4.163 4.048 4.247 . 0 0 "[ . 1 . 2]" 1
2110 1 91 LEU H 1 91 LEU HG . . 4.870 4.214 4.078 4.320 . 0 0 "[ . 1 . 2]" 1
2111 1 91 LEU QB 1 92 HIS H . . 3.930 3.549 3.350 3.681 . 0 0 "[ . 1 . 2]" 1
2112 1 91 LEU QB 1 93 VAL QG . . 4.620 4.230 4.005 4.553 . 0 0 "[ . 1 . 2]" 1
2113 1 91 LEU HB2 1 91 LEU MD2 . . 3.330 2.430 2.281 2.546 . 0 0 "[ . 1 . 2]" 1
2114 1 91 LEU HB2 1 92 HIS H . . 4.610 3.864 3.660 4.033 . 0 0 "[ . 1 . 2]" 1
2115 1 91 LEU HB3 1 91 LEU MD2 . . 3.330 2.239 2.119 2.400 . 0 0 "[ . 1 . 2]" 1
2116 1 91 LEU HB3 1 92 HIS H . . 4.610 4.139 3.883 4.272 . 0 0 "[ . 1 . 2]" 1
2117 1 91 LEU MD1 1 92 HIS H . . 3.120 1.976 1.814 2.257 . 0 0 "[ . 1 . 2]" 1
2118 1 91 LEU MD1 1 92 HIS HA . . 4.850 4.029 3.884 4.281 . 0 0 "[ . 1 . 2]" 1
2119 1 91 LEU MD1 1 92 HIS HB2 . . 5.140 4.096 3.884 4.426 . 0 0 "[ . 1 . 2]" 1
2120 1 91 LEU MD1 1 93 VAL HB . . 5.040 4.551 3.447 5.034 . 0 0 "[ . 1 . 2]" 1
2121 1 91 LEU MD2 1 92 HIS H . . 4.690 4.226 3.818 4.447 . 0 0 "[ . 1 . 2]" 1
2122 1 91 LEU MD2 1 93 VAL HB . . 5.000 4.522 3.728 4.977 . 0 0 "[ . 1 . 2]" 1
2123 1 91 LEU HG 1 92 HIS H . . 4.090 2.908 2.347 3.234 . 0 0 "[ . 1 . 2]" 1
2124 1 91 LEU HG 1 93 VAL HA . . 5.500 5.061 4.837 5.273 . 0 0 "[ . 1 . 2]" 1
2125 1 91 LEU HG 1 93 VAL HB . . 5.050 4.458 3.862 4.851 . 0 0 "[ . 1 . 2]" 1
2126 1 91 LEU HG 1 93 VAL QG . . 3.050 2.593 2.356 3.053 0.003 6 0 "[ . 1 . 2]" 1
2127 1 92 HIS H 1 92 HIS HB2 . . 3.460 2.701 2.583 2.775 . 0 0 "[ . 1 . 2]" 1
2128 1 92 HIS H 1 92 HIS HB3 . . 4.010 3.797 3.742 3.853 . 0 0 "[ . 1 . 2]" 1
2129 1 92 HIS H 1 92 HIS HD2 . . 3.950 3.428 2.850 3.905 . 0 0 "[ . 1 . 2]" 1
2130 1 92 HIS H 1 93 VAL H . . 4.620 4.398 4.246 4.484 . 0 0 "[ . 1 . 2]" 1
2131 1 92 HIS H 1 93 VAL QG . . 5.020 3.906 3.623 4.515 . 0 0 "[ . 1 . 2]" 1
2132 1 92 HIS HA 1 93 VAL H . . 2.750 2.198 2.146 2.284 . 0 0 "[ . 1 . 2]" 1
2133 1 92 HIS HA 1 93 VAL HA . . 4.750 4.431 4.398 4.490 . 0 0 "[ . 1 . 2]" 1
2134 1 92 HIS HA 1 93 VAL HB . . 5.120 4.573 4.395 4.832 . 0 0 "[ . 1 . 2]" 1
2135 1 92 HIS HA 1 93 VAL QG . . 4.220 3.501 3.194 3.744 . 0 0 "[ . 1 . 2]" 1
2136 1 92 HIS HB2 1 93 VAL H . . 4.320 4.010 3.816 4.213 . 0 0 "[ . 1 . 2]" 1
2137 1 92 HIS HB2 1 93 VAL HA . . 5.420 4.629 4.451 4.798 . 0 0 "[ . 1 . 2]" 1
2138 1 92 HIS HB3 1 93 VAL H . . 3.870 3.071 2.739 3.367 . 0 0 "[ . 1 . 2]" 1
2139 1 92 HIS HB3 1 93 VAL QG . . 5.440 4.649 4.473 4.783 . 0 0 "[ . 1 . 2]" 1
2140 1 93 VAL H 1 93 VAL HB . . 3.670 2.977 2.678 3.647 . 0 0 "[ . 1 . 2]" 1
2141 1 93 VAL H 1 93 VAL MG1 . . 4.010 3.476 2.170 3.943 . 0 0 "[ . 1 . 2]" 1
2142 1 93 VAL H 1 93 VAL QG . . 3.230 2.748 2.157 3.067 . 0 0 "[ . 1 . 2]" 1
2143 1 93 VAL H 1 93 VAL MG2 . . 4.010 3.211 2.831 3.797 . 0 0 "[ . 1 . 2]" 1
2144 1 93 VAL H 1 94 GLU H . . 4.260 4.124 3.895 4.306 0.046 6 0 "[ . 1 . 2]" 1
2145 1 93 VAL H 1 94 GLU QG . . 4.390 3.497 3.158 4.006 . 0 0 "[ . 1 . 2]" 1
2146 1 93 VAL HA 1 93 VAL MG1 . . 3.310 2.584 2.291 3.168 . 0 0 "[ . 1 . 2]" 1
2147 1 93 VAL HA 1 93 VAL MG2 . . 3.310 2.395 2.229 2.575 . 0 0 "[ . 1 . 2]" 1
2148 1 93 VAL HA 1 94 GLU H . . 2.870 2.154 2.141 2.185 . 0 0 "[ . 1 . 2]" 1
2149 1 93 VAL HA 1 94 GLU HA . . 5.090 4.400 4.379 4.438 . 0 0 "[ . 1 . 2]" 1
2150 1 93 VAL HA 1 94 GLU QG . . 4.700 4.030 3.758 4.293 . 0 0 "[ . 1 . 2]" 1
2151 1 93 VAL HB 1 94 GLU H . . 4.540 4.239 3.911 4.412 . 0 0 "[ . 1 . 2]" 1
2152 1 93 VAL HB 1 94 GLU HA . . 5.500 5.011 4.730 5.599 0.099 14 0 "[ . 1 . 2]" 1
2153 1 93 VAL QG 1 94 GLU H . . 3.200 2.687 2.355 2.933 . 0 0 "[ . 1 . 2]" 1
2154 1 93 VAL QG 1 94 GLU HA . . 4.130 3.378 2.965 3.656 . 0 0 "[ . 1 . 2]" 1
2155 1 93 VAL QG 1 94 GLU QG . . 4.860 4.078 3.626 4.379 . 0 0 "[ . 1 . 2]" 1
2156 1 93 VAL QG 1 95 GLU H . . 4.620 4.292 3.915 4.611 . 0 0 "[ . 1 . 2]" 1
2157 1 93 VAL QG 1 95 GLU HA . . 4.970 4.552 4.128 4.887 . 0 0 "[ . 1 . 2]" 1
2158 1 93 VAL MG1 1 94 GLU H . . 4.340 3.148 2.495 4.201 . 0 0 "[ . 1 . 2]" 1
2159 1 93 VAL MG2 1 94 GLU H . . 4.340 3.676 2.369 4.188 . 0 0 "[ . 1 . 2]" 1
2160 1 94 GLU H 1 94 GLU HB2 . . 3.450 2.725 2.545 2.943 . 0 0 "[ . 1 . 2]" 1
2161 1 94 GLU H 1 94 GLU HB3 . . 4.020 3.811 3.713 3.906 . 0 0 "[ . 1 . 2]" 1
2162 1 94 GLU H 1 94 GLU QG . . 3.590 3.199 2.757 3.568 . 0 0 "[ . 1 . 2]" 1
2163 1 94 GLU HA 1 94 GLU QG . . 3.420 2.420 2.234 2.740 . 0 0 "[ . 1 . 2]" 1
2164 1 94 GLU HA 1 95 GLU H . . 2.540 2.197 2.161 2.287 . 0 0 "[ . 1 . 2]" 1
2165 1 94 GLU HA 1 95 GLU HA . . 4.460 4.346 4.324 4.360 . 0 0 "[ . 1 . 2]" 1
2166 1 94 GLU HA 1 95 GLU HB2 . . 5.260 4.272 4.166 4.429 . 0 0 "[ . 1 . 2]" 1
2167 1 94 GLU HA 1 95 GLU QB . . 4.430 4.032 3.976 4.072 . 0 0 "[ . 1 . 2]" 1
2168 1 94 GLU HA 1 95 GLU HB3 . . 5.260 4.960 4.727 5.084 . 0 0 "[ . 1 . 2]" 1
2169 1 94 GLU HB3 1 94 GLU QG . . 2.470 2.373 2.141 2.463 . 0 0 "[ . 1 . 2]" 1
2170 1 94 GLU HB3 1 95 GLU H . . 4.590 3.063 2.724 3.262 . 0 0 "[ . 1 . 2]" 1
2171 1 95 GLU H 1 95 GLU HB2 . . 3.360 2.378 2.262 2.535 . 0 0 "[ . 1 . 2]" 1
2172 1 95 GLU H 1 95 GLU QB . . 2.800 2.244 2.180 2.338 . 0 0 "[ . 1 . 2]" 1
2173 1 95 GLU H 1 95 GLU HB3 . . 3.360 2.774 2.572 2.853 . 0 0 "[ . 1 . 2]" 1
2174 1 95 GLU H 1 95 GLU HG2 . . 4.690 4.501 4.233 4.638 . 0 0 "[ . 1 . 2]" 1
2175 1 95 GLU H 1 95 GLU HG3 . . 4.690 4.379 4.227 4.568 . 0 0 "[ . 1 . 2]" 1
2176 1 95 GLU HA 1 95 GLU HG2 . . 3.980 2.758 2.188 3.224 . 0 0 "[ . 1 . 2]" 1
2177 1 95 GLU HA 1 95 GLU QG . . 3.420 2.276 2.157 2.396 . 0 0 "[ . 1 . 2]" 1
2178 1 95 GLU HA 1 95 GLU HG3 . . 3.980 2.664 2.195 3.594 . 0 0 "[ . 1 . 2]" 1
2179 1 95 GLU HA 1 96 LYS H . . 2.710 2.310 2.195 2.473 . 0 0 "[ . 1 . 2]" 1
2180 1 95 GLU QB 1 96 LYS H . . 3.560 3.322 2.964 3.535 . 0 0 "[ . 1 . 2]" 1
2181 1 95 GLU HB2 1 96 LYS H . . 4.290 4.086 3.814 4.289 . 0 0 "[ . 1 . 2]" 1
2182 1 95 GLU HB3 1 96 LYS H . . 4.290 3.521 3.074 3.765 . 0 0 "[ . 1 . 2]" 1
2183 1 95 GLU QG 1 96 LYS H . . 4.260 2.263 1.858 3.105 . 0 0 "[ . 1 . 2]" 1
2184 1 96 LYS H 1 96 LYS HB2 . . 3.630 2.748 2.239 3.654 0.024 5 0 "[ . 1 . 2]" 1
2185 1 96 LYS H 1 96 LYS QB . . 3.030 2.393 2.216 2.592 . 0 0 "[ . 1 . 2]" 1
2186 1 96 LYS H 1 96 LYS HB3 . . 3.630 3.261 2.273 3.631 0.001 10 0 "[ . 1 . 2]" 1
2187 1 96 LYS H 1 96 LYS QG . . 3.610 2.678 1.946 3.675 0.065 2 0 "[ . 1 . 2]" 1
2188 1 96 LYS HA 1 96 LYS QD . . 4.430 3.580 2.094 4.432 0.002 7 0 "[ . 1 . 2]" 1
2189 1 96 LYS HA 1 96 LYS QG . . 3.460 2.679 2.196 3.413 . 0 0 "[ . 1 . 2]" 1
2190 1 96 LYS HA 1 97 ALA H . . 3.360 2.365 2.142 3.360 0.000 2 0 "[ . 1 . 2]" 1
2191 1 97 ALA H 1 97 ALA MB . . 3.610 2.367 2.032 2.819 . 0 0 "[ . 1 . 2]" 1
2192 1 99 GLY QA 1 100 PRO QD . . 2.550 2.001 1.949 2.035 . 0 0 "[ . 1 . 2]" 1
2193 1 99 GLY QA 1 100 PRO QG . . 3.900 3.689 3.671 3.700 . 0 0 "[ . 1 . 2]" 1
2194 1 99 GLY HA2 1 100 PRO QD . . 3.170 2.230 2.015 2.551 . 0 0 "[ . 1 . 2]" 1
2195 1 99 GLY HA2 1 100 PRO QG . . 4.460 4.144 3.919 4.463 0.003 15 0 "[ . 1 . 2]" 1
2196 1 99 GLY HA3 1 100 PRO QD . . 3.170 2.379 2.022 2.694 . 0 0 "[ . 1 . 2]" 1
2197 1 99 GLY HA3 1 100 PRO QG . . 4.460 4.185 3.905 4.442 . 0 0 "[ . 1 . 2]" 1
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