NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606204 |
5l3l   |
34000 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5l3l
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 1022
_Distance_constraint_stats_list.Viol_count 1282
_Distance_constraint_stats_list.Viol_total 1189.135
_Distance_constraint_stats_list.Viol_max 0.454
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0464
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.011 0.011 17 0 "[ . 1 . 2]"
1 2 TYR 0.532 0.097 11 0 "[ . 1 . 2]"
1 3 ARG 1.089 0.129 4 0 "[ . 1 . 2]"
1 4 PRO 0.777 0.129 4 0 "[ . 1 . 2]"
1 5 SER 0.394 0.094 16 0 "[ . 1 . 2]"
1 6 GLU 0.851 0.089 5 0 "[ . 1 . 2]"
1 7 THR 1.216 0.118 19 0 "[ . 1 . 2]"
1 8 LEU 4.559 0.324 2 0 "[ . 1 . 2]"
1 9 CYS 1.862 0.121 16 0 "[ . 1 . 2]"
1 10 GLY 0.394 0.111 16 0 "[ . 1 . 2]"
1 11 GLY 0.133 0.043 8 0 "[ . 1 . 2]"
1 12 GLU 0.186 0.054 15 0 "[ . 1 . 2]"
1 13 LEU 5.596 0.324 2 0 "[ . 1 . 2]"
1 14 VAL 2.360 0.104 9 0 "[ . 1 . 2]"
1 15 ASP 0.090 0.047 15 0 "[ . 1 . 2]"
1 16 THR 1.227 0.168 11 0 "[ . 1 . 2]"
1 17 LEU 3.232 0.262 2 0 "[ . 1 . 2]"
1 18 GLN 0.605 0.104 9 0 "[ . 1 . 2]"
1 19 PHE 0.024 0.019 11 0 "[ . 1 . 2]"
1 20 VAL 4.162 0.401 11 0 "[ . 1 . 2]"
1 21 CYS 0.162 0.050 16 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 0.543 0.102 2 0 "[ . 1 . 2]"
1 25 GLY 0.377 0.043 5 0 "[ . 1 . 2]"
1 26 PHE 1.262 0.062 19 0 "[ . 1 . 2]"
1 27 TYR 0.784 0.128 15 0 "[ . 1 . 2]"
1 28 PHE 2.599 0.233 12 0 "[ . 1 . 2]"
1 29 SER 0.373 0.091 7 0 "[ . 1 . 2]"
1 30 ARG 2.770 0.302 17 0 "[ . 1 . 2]"
1 31 PRO 2.240 0.302 17 0 "[ . 1 . 2]"
1 32 ALA 0.137 0.064 5 0 "[ . 1 . 2]"
1 33 SER 1.054 0.133 8 0 "[ . 1 . 2]"
1 34 ARG 1.183 0.124 17 0 "[ . 1 . 2]"
1 35 VAL 2.492 0.418 10 0 "[ . 1 . 2]"
1 36 SER 0.547 0.072 12 0 "[ . 1 . 2]"
1 37 ARG 1.990 0.418 10 0 "[ . 1 . 2]"
1 38 ARG 0.724 0.126 13 0 "[ . 1 . 2]"
1 39 SER 0.764 0.176 6 0 "[ . 1 . 2]"
1 40 ARG 1.158 0.176 6 0 "[ . 1 . 2]"
1 41 GLY 0.565 0.108 12 0 "[ . 1 . 2]"
1 42 ILE 5.717 0.454 4 0 "[ . 1 . 2]"
1 43 VAL 4.890 0.249 2 0 "[ . 1 . 2]"
1 44 GLU 1.844 0.115 2 0 "[ . 1 . 2]"
1 45 GLU 0.383 0.167 16 0 "[ . 1 . 2]"
1 46 CYS 0.016 0.012 13 0 "[ . 1 . 2]"
1 47 CYS 0.386 0.082 15 0 "[ . 1 . 2]"
1 48 PHE 3.210 0.249 2 0 "[ . 1 . 2]"
1 49 ARG 1.118 0.064 13 0 "[ . 1 . 2]"
1 50 SER 0.544 0.064 13 0 "[ . 1 . 2]"
1 51 CYS 0.435 0.137 13 0 "[ . 1 . 2]"
1 52 ASP 0.240 0.076 16 0 "[ . 1 . 2]"
1 53 LEU 0.646 0.082 11 0 "[ . 1 . 2]"
1 54 ALA 2.373 0.104 11 0 "[ . 1 . 2]"
1 55 LEU 12.824 0.454 4 0 "[ . 1 . 2]"
1 56 LEU 16.487 0.401 11 0 "[ . 1 . 2]"
1 57 GLU 1.533 0.081 16 0 "[ . 1 . 2]"
1 58 THR 2.661 0.091 8 0 "[ . 1 . 2]"
1 59 TYR 0.772 0.114 1 0 "[ . 1 . 2]"
1 60 CYS 0.636 0.289 20 0 "[ . 1 . 2]"
1 61 ALA 2.808 0.292 20 0 "[ . 1 . 2]"
1 62 THR 0.734 0.098 17 0 "[ . 1 . 2]"
1 63 PRO 2.077 0.292 20 0 "[ . 1 . 2]"
1 64 ALA 0.327 0.045 17 0 "[ . 1 . 2]"
1 65 LYS 0.093 0.038 6 0 "[ . 1 . 2]"
1 66 SER 0.178 0.081 17 0 "[ . 1 . 2]"
1 67 GLU 0.178 0.081 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 TYR H 2.970 . 2.970 2.299 2.088 2.981 0.011 17 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 TYR H 4.200 . 4.200 3.100 2.014 3.679 . 0 0 "[ . 1 . 2]" 1
3 1 2 TYR H 1 2 TYR HB2 3.290 . 3.290 2.532 2.323 2.957 . 0 0 "[ . 1 . 2]" 1
4 1 2 TYR H 1 2 TYR HB3 3.290 . 3.290 2.744 2.579 3.029 . 0 0 "[ . 1 . 2]" 1
5 1 2 TYR H 1 2 TYR QD 4.280 . 4.280 4.239 4.162 4.377 0.097 11 0 "[ . 1 . 2]" 1
6 1 2 TYR HA 1 2 TYR QD 3.550 . 3.550 2.660 2.420 2.942 . 0 0 "[ . 1 . 2]" 1
7 1 2 TYR HA 1 2 TYR QE 4.930 . 4.930 4.469 4.340 4.659 . 0 0 "[ . 1 . 2]" 1
8 1 2 TYR HA 1 3 ARG H 3.360 . 3.360 2.655 2.275 3.423 0.063 19 0 "[ . 1 . 2]" 1
9 1 2 TYR QB 1 3 ARG H 3.510 . 3.510 3.071 2.490 3.415 . 0 0 "[ . 1 . 2]" 1
10 1 2 TYR HB2 1 3 ARG H 4.000 . 4.000 3.930 3.616 4.014 0.014 6 0 "[ . 1 . 2]" 1
11 1 2 TYR HB3 1 3 ARG H 4.000 . 4.000 3.219 2.537 3.697 . 0 0 "[ . 1 . 2]" 1
12 1 2 TYR QD 1 3 ARG H 4.220 . 4.220 3.068 2.278 4.265 0.045 4 0 "[ . 1 . 2]" 1
13 1 3 ARG H 1 3 ARG HB2 3.710 . 3.710 3.035 2.401 3.723 0.013 6 0 "[ . 1 . 2]" 1
14 1 3 ARG H 1 3 ARG QB 3.190 . 3.190 2.593 2.366 2.957 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG H 1 3 ARG HB3 3.710 . 3.710 3.275 2.607 3.738 0.028 19 0 "[ . 1 . 2]" 1
16 1 3 ARG H 1 3 ARG QD 4.150 . 4.150 3.712 1.984 4.214 0.064 19 0 "[ . 1 . 2]" 1
17 1 3 ARG H 1 3 ARG QG 3.550 . 3.550 2.242 1.918 2.833 . 0 0 "[ . 1 . 2]" 1
18 1 3 ARG H 1 4 PRO HD2 5.180 . 5.180 5.052 4.914 5.140 . 0 0 "[ . 1 . 2]" 1
19 1 3 ARG H 1 4 PRO QD 4.550 . 4.550 4.511 4.438 4.561 0.011 11 0 "[ . 1 . 2]" 1
20 1 3 ARG H 1 4 PRO HD3 5.180 . 5.180 5.081 4.851 5.197 0.017 9 0 "[ . 1 . 2]" 1
21 1 3 ARG HA 1 3 ARG QG 3.540 . 3.540 2.939 2.402 3.469 . 0 0 "[ . 1 . 2]" 1
22 1 3 ARG HA 1 4 PRO HB3 4.990 . 4.990 4.752 4.654 4.839 . 0 0 "[ . 1 . 2]" 1
23 1 3 ARG HA 1 4 PRO HD2 3.130 . 3.130 2.543 2.451 2.639 . 0 0 "[ . 1 . 2]" 1
24 1 3 ARG HA 1 4 PRO HD3 3.130 . 3.130 2.370 2.183 2.513 . 0 0 "[ . 1 . 2]" 1
25 1 3 ARG QB 1 3 ARG QD 3.350 . 3.350 2.223 2.091 2.522 . 0 0 "[ . 1 . 2]" 1
26 1 3 ARG QB 1 3 ARG QG 2.400 . 2.400 2.091 2.021 2.113 . 0 0 "[ . 1 . 2]" 1
27 1 3 ARG QB 1 4 PRO QD 3.330 . 3.330 2.357 2.157 2.645 . 0 0 "[ . 1 . 2]" 1
28 1 3 ARG HB2 1 3 ARG QD 3.820 . 3.820 2.611 2.317 3.481 . 0 0 "[ . 1 . 2]" 1
29 1 3 ARG HB2 1 4 PRO HD2 4.760 . 4.760 3.246 2.196 4.196 . 0 0 "[ . 1 . 2]" 1
30 1 3 ARG HB2 1 4 PRO HD3 4.760 . 4.760 4.309 3.574 4.798 0.038 2 0 "[ . 1 . 2]" 1
31 1 3 ARG HB3 1 3 ARG QD 3.820 . 3.820 2.554 2.169 3.516 . 0 0 "[ . 1 . 2]" 1
32 1 3 ARG HB3 1 4 PRO HD2 4.760 . 4.760 2.986 2.264 3.786 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG HB3 1 4 PRO HD3 4.760 . 4.760 4.060 3.604 4.622 . 0 0 "[ . 1 . 2]" 1
34 1 3 ARG QG 1 4 PRO QD 4.010 . 4.010 3.712 3.318 4.139 0.129 4 0 "[ . 1 . 2]" 1
35 1 4 PRO HA 1 5 SER H 2.680 . 2.680 2.381 2.222 2.596 . 0 0 "[ . 1 . 2]" 1
36 1 4 PRO HB2 1 5 SER H 3.570 . 3.570 2.690 2.238 3.007 . 0 0 "[ . 1 . 2]" 1
37 1 4 PRO HB3 1 5 SER H 3.680 . 3.680 3.609 3.417 3.707 0.027 1 0 "[ . 1 . 2]" 1
38 1 4 PRO QD 1 5 SER H 4.960 . 4.960 4.932 4.804 4.976 0.016 2 0 "[ . 1 . 2]" 1
39 1 5 SER H 1 5 SER QB 3.230 . 3.230 2.748 2.512 3.324 0.094 16 0 "[ . 1 . 2]" 1
40 1 5 SER H 1 6 GLU H 3.690 . 3.690 3.241 2.409 3.707 0.017 5 0 "[ . 1 . 2]" 1
41 1 5 SER HA 1 6 GLU H 2.820 . 2.820 2.517 2.079 2.853 0.033 15 0 "[ . 1 . 2]" 1
42 1 5 SER QB 1 6 GLU H 4.160 . 4.160 3.919 3.751 4.072 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLU H 1 6 GLU HB2 3.850 . 3.850 3.219 2.393 3.660 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLU H 1 6 GLU QB 3.040 . 3.040 2.460 2.361 2.547 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLU H 1 6 GLU HB3 3.850 . 3.850 2.897 2.406 3.674 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLU H 1 6 GLU QG 3.410 . 3.410 2.234 1.963 2.748 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLU H 1 7 THR H 3.400 . 3.400 2.565 2.176 2.878 . 0 0 "[ . 1 . 2]" 1
48 1 6 GLU H 1 7 THR MG 5.250 . 5.250 4.472 3.845 5.005 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLU HA 1 6 GLU QG 3.600 . 3.600 3.159 2.433 3.467 . 0 0 "[ . 1 . 2]" 1
50 1 6 GLU QB 1 7 THR H 3.730 . 3.730 3.344 2.226 3.819 0.089 5 0 "[ . 1 . 2]" 1
51 1 6 GLU HB2 1 7 THR H 4.360 . 4.360 3.665 2.266 4.313 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLU HB3 1 7 THR H 4.360 . 4.360 4.030 3.252 4.280 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLU QG 1 7 THR H 3.900 . 3.900 3.167 2.461 3.981 0.081 15 0 "[ . 1 . 2]" 1
54 1 6 GLU QG 1 7 THR MG 4.820 . 4.820 3.552 2.117 4.735 . 0 0 "[ . 1 . 2]" 1
55 1 7 THR H 1 7 THR MG 3.350 . 3.350 2.894 2.504 3.289 . 0 0 "[ . 1 . 2]" 1
56 1 7 THR H 1 8 LEU H 4.650 . 4.650 4.354 3.201 4.597 . 0 0 "[ . 1 . 2]" 1
57 1 7 THR HA 1 7 THR MG 2.870 . 2.870 2.304 2.040 2.457 . 0 0 "[ . 1 . 2]" 1
58 1 7 THR HA 1 8 LEU HB2 4.680 . 4.680 4.231 3.869 4.666 . 0 0 "[ . 1 . 2]" 1
59 1 7 THR HA 1 8 LEU HB3 5.500 . 5.500 5.086 4.398 5.538 0.038 17 0 "[ . 1 . 2]" 1
60 1 7 THR HB 1 8 LEU H 4.080 . 4.080 2.860 2.074 4.083 0.003 14 0 "[ . 1 . 2]" 1
61 1 7 THR MG 1 8 LEU H 3.890 . 3.890 3.669 3.256 4.008 0.118 19 0 "[ . 1 . 2]" 1
62 1 7 THR MG 1 47 CYS H 5.500 . 5.500 5.022 4.426 5.390 . 0 0 "[ . 1 . 2]" 1
63 1 7 THR MG 1 49 ARG H 4.530 . 4.530 4.167 3.704 4.549 0.019 9 0 "[ . 1 . 2]" 1
64 1 7 THR MG 1 49 ARG HA 4.370 . 4.370 3.852 3.114 4.356 . 0 0 "[ . 1 . 2]" 1
65 1 7 THR MG 1 50 SER H 4.380 . 4.380 3.956 3.488 4.385 0.005 14 0 "[ . 1 . 2]" 1
66 1 7 THR MG 1 50 SER HA 3.660 . 3.660 2.655 2.045 3.513 . 0 0 "[ . 1 . 2]" 1
67 1 7 THR MG 1 50 SER QB 4.190 . 4.190 3.211 2.463 4.037 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU H 1 8 LEU MD1 4.660 . 4.660 4.077 3.691 4.461 . 0 0 "[ . 1 . 2]" 1
69 1 8 LEU H 1 8 LEU QD 4.040 . 4.040 3.555 2.748 4.015 . 0 0 "[ . 1 . 2]" 1
70 1 8 LEU H 1 8 LEU MD2 4.660 . 4.660 3.985 2.832 4.555 . 0 0 "[ . 1 . 2]" 1
71 1 8 LEU H 1 9 CYS H 4.670 . 4.670 4.168 3.022 4.506 . 0 0 "[ . 1 . 2]" 1
72 1 8 LEU HA 1 8 LEU MD1 4.080 . 4.080 2.764 2.130 3.923 . 0 0 "[ . 1 . 2]" 1
73 1 8 LEU HA 1 8 LEU QD 3.190 . 3.190 2.163 2.101 2.257 . 0 0 "[ . 1 . 2]" 1
74 1 8 LEU HA 1 8 LEU MD2 4.080 . 4.080 3.173 2.111 3.890 . 0 0 "[ . 1 . 2]" 1
75 1 8 LEU HB2 1 8 LEU MD1 3.370 . 3.370 2.463 2.171 3.207 . 0 0 "[ . 1 . 2]" 1
76 1 8 LEU HB2 1 8 LEU MD2 3.370 . 3.370 2.634 2.157 3.245 . 0 0 "[ . 1 . 2]" 1
77 1 8 LEU HB2 1 9 CYS H 4.390 . 4.390 4.051 1.845 4.441 0.051 2 0 "[ . 1 . 2]" 1
78 1 8 LEU HB2 1 13 LEU HA 4.890 . 4.890 4.004 2.968 4.922 0.032 1 0 "[ . 1 . 2]" 1
79 1 8 LEU HB2 1 13 LEU QD 4.170 . 4.170 3.222 2.071 4.494 0.324 2 0 "[ . 1 . 2]" 1
80 1 8 LEU HB2 1 46 CYS QB 4.780 . 4.780 2.918 2.069 3.750 . 0 0 "[ . 1 . 2]" 1
81 1 8 LEU HB3 1 8 LEU MD1 3.500 . 3.500 2.803 2.359 3.236 . 0 0 "[ . 1 . 2]" 1
82 1 8 LEU HB3 1 8 LEU MD2 3.500 . 3.500 2.430 2.169 3.186 . 0 0 "[ . 1 . 2]" 1
83 1 8 LEU HB3 1 9 CYS H 4.650 . 4.650 3.555 1.972 4.371 . 0 0 "[ . 1 . 2]" 1
84 1 8 LEU HB3 1 13 LEU HA 4.630 . 4.630 3.130 2.108 4.350 . 0 0 "[ . 1 . 2]" 1
85 1 8 LEU HB3 1 13 LEU QD 3.920 . 3.920 2.892 2.117 3.784 . 0 0 "[ . 1 . 2]" 1
86 1 8 LEU HB3 1 46 CYS QB 4.320 . 4.320 3.041 2.030 4.324 0.004 15 0 "[ . 1 . 2]" 1
87 1 8 LEU QD 1 9 CYS H 3.450 . 3.450 3.233 2.882 3.537 0.087 8 0 "[ . 1 . 2]" 1
88 1 8 LEU QD 1 12 GLU HA 4.630 . 4.630 3.900 3.689 4.172 . 0 0 "[ . 1 . 2]" 1
89 1 8 LEU QD 1 12 GLU QB 2.990 . 2.990 2.153 1.975 2.329 . 0 0 "[ . 1 . 2]" 1
90 1 8 LEU QD 1 12 GLU QG 4.060 . 4.060 3.777 3.374 4.050 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU QD 1 13 LEU H 3.870 . 3.870 3.630 3.152 4.074 0.204 15 0 "[ . 1 . 2]" 1
92 1 8 LEU QD 1 13 LEU HA 3.270 . 3.270 2.358 2.036 3.243 . 0 0 "[ . 1 . 2]" 1
93 1 8 LEU QD 1 13 LEU QD 2.920 . 2.920 2.381 2.089 3.061 0.141 18 0 "[ . 1 . 2]" 1
94 1 8 LEU QD 1 15 ASP H 5.390 . 5.390 4.955 4.748 5.437 0.047 15 0 "[ . 1 . 2]" 1
95 1 8 LEU QD 1 16 THR H 4.220 . 4.220 3.645 3.370 4.197 . 0 0 "[ . 1 . 2]" 1
96 1 8 LEU QD 1 16 THR HA 4.680 . 4.680 4.295 4.125 4.729 0.049 17 0 "[ . 1 . 2]" 1
97 1 8 LEU QD 1 16 THR HB 3.550 . 3.550 2.497 2.134 3.427 . 0 0 "[ . 1 . 2]" 1
98 1 8 LEU QD 1 16 THR HG1 3.360 . 3.360 2.426 2.241 3.022 . 0 0 "[ . 1 . 2]" 1
99 1 8 LEU QD 1 16 THR MG 3.160 . 3.160 2.299 2.078 2.590 . 0 0 "[ . 1 . 2]" 1
100 1 8 LEU MD1 1 9 CYS H 4.900 . 4.900 3.860 2.902 5.021 0.121 16 0 "[ . 1 . 2]" 1
101 1 8 LEU MD1 1 13 LEU HA 3.790 . 3.790 2.840 2.086 3.664 . 0 0 "[ . 1 . 2]" 1
102 1 8 LEU MD1 1 16 THR H 5.040 . 5.040 4.072 3.859 4.498 . 0 0 "[ . 1 . 2]" 1
103 1 8 LEU MD1 1 16 THR HA 5.500 . 5.500 4.875 4.452 5.466 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU MD1 1 16 THR HB 4.360 . 4.360 3.320 2.331 4.373 0.013 17 0 "[ . 1 . 2]" 1
105 1 8 LEU MD1 1 16 THR HG1 3.850 . 3.850 2.691 2.423 3.399 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU MD2 1 9 CYS H 4.900 . 4.900 4.281 3.104 4.998 0.098 17 0 "[ . 1 . 2]" 1
107 1 8 LEU MD2 1 13 LEU HA 3.790 . 3.790 2.735 2.119 3.828 0.038 17 0 "[ . 1 . 2]" 1
108 1 8 LEU MD2 1 16 THR H 5.040 . 5.040 4.177 3.541 5.111 0.071 15 0 "[ . 1 . 2]" 1
109 1 8 LEU MD2 1 16 THR HA 5.500 . 5.500 4.859 4.446 5.405 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU MD2 1 16 THR HB 4.360 . 4.360 3.031 2.147 3.922 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU MD2 1 16 THR HG1 3.850 . 3.850 2.875 2.451 3.868 0.018 9 0 "[ . 1 . 2]" 1
112 1 8 LEU HG 1 9 CYS H 4.940 . 4.940 4.184 3.093 4.973 0.033 8 0 "[ . 1 . 2]" 1
113 1 8 LEU HG 1 13 LEU HA 4.380 . 4.380 2.961 2.046 4.458 0.078 19 0 "[ . 1 . 2]" 1
114 1 8 LEU HG 1 13 LEU QB 5.340 . 5.340 3.830 2.450 5.363 0.023 20 0 "[ . 1 . 2]" 1
115 1 8 LEU HG 1 13 LEU QD 4.650 . 4.650 3.332 2.278 4.714 0.064 20 0 "[ . 1 . 2]" 1
116 1 9 CYS CB 1 47 CYS SG 3.100 . 3.100 3.025 3.003 3.052 . 0 0 "[ . 1 . 2]" 1
117 1 9 CYS H 1 9 CYS HB2 4.080 . 4.080 2.959 2.653 3.181 . 0 0 "[ . 1 . 2]" 1
118 1 9 CYS H 1 9 CYS QB 3.520 . 3.520 2.761 2.575 3.048 . 0 0 "[ . 1 . 2]" 1
119 1 9 CYS H 1 9 CYS HB3 4.080 . 4.080 3.383 2.979 3.908 . 0 0 "[ . 1 . 2]" 1
120 1 9 CYS H 1 10 GLY H 4.560 . 4.560 4.188 2.085 4.599 0.039 15 0 "[ . 1 . 2]" 1
121 1 9 CYS H 1 12 GLU HB2 4.670 . 4.670 2.985 2.266 3.896 . 0 0 "[ . 1 . 2]" 1
122 1 9 CYS H 1 12 GLU HB3 4.670 . 4.670 4.403 3.689 4.724 0.054 15 0 "[ . 1 . 2]" 1
123 1 9 CYS HA 1 13 LEU MD1 5.500 . 5.500 3.901 2.388 4.721 . 0 0 "[ . 1 . 2]" 1
124 1 9 CYS HA 1 13 LEU QD 4.120 . 4.120 2.908 2.383 3.255 . 0 0 "[ . 1 . 2]" 1
125 1 9 CYS HA 1 13 LEU MD2 5.500 . 5.500 3.630 2.835 5.145 . 0 0 "[ . 1 . 2]" 1
126 1 9 CYS HA 1 43 VAL QG 4.580 . 4.580 3.924 3.053 4.665 0.085 13 0 "[ . 1 . 2]" 1
127 1 9 CYS HA 1 47 CYS HB2 5.350 . 5.350 3.235 2.306 5.370 0.020 19 0 "[ . 1 . 2]" 1
128 1 9 CYS HA 1 47 CYS QB 4.480 . 4.480 3.114 2.288 4.501 0.021 19 0 "[ . 1 . 2]" 1
129 1 9 CYS HA 1 47 CYS HB3 5.350 . 5.350 4.624 3.821 5.090 . 0 0 "[ . 1 . 2]" 1
130 1 9 CYS HB2 1 10 GLY H 4.540 . 4.540 3.689 2.167 4.125 . 0 0 "[ . 1 . 2]" 1
131 1 9 CYS HB3 1 10 GLY H 4.540 . 4.540 2.712 2.106 3.265 . 0 0 "[ . 1 . 2]" 1
132 1 9 CYS SG 1 47 CYS CB 3.100 . 3.100 3.037 3.012 3.073 . 0 0 "[ . 1 . 2]" 1
133 1 9 CYS SG 1 47 CYS SG 2.100 . 2.100 2.031 2.026 2.040 . 0 0 "[ . 1 . 2]" 1
134 1 10 GLY H 1 13 LEU QD 4.960 . 4.960 4.508 3.567 5.071 0.111 16 0 "[ . 1 . 2]" 1
135 1 10 GLY HA2 1 12 GLU H 4.540 . 4.540 4.448 4.279 4.565 0.025 2 0 "[ . 1 . 2]" 1
136 1 10 GLY HA3 1 12 GLU H 4.540 . 4.540 3.570 3.398 4.523 . 0 0 "[ . 1 . 2]" 1
137 1 11 GLY H 1 12 GLU H 3.940 . 3.940 2.887 2.651 3.621 . 0 0 "[ . 1 . 2]" 1
138 1 11 GLY QA 1 14 VAL HB 4.070 . 4.070 2.898 2.347 3.343 . 0 0 "[ . 1 . 2]" 1
139 1 11 GLY QA 1 14 VAL QG 3.540 . 3.540 2.695 2.448 3.145 . 0 0 "[ . 1 . 2]" 1
140 1 11 GLY HA2 1 14 VAL MG1 5.500 . 5.500 4.305 3.819 4.791 . 0 0 "[ . 1 . 2]" 1
141 1 11 GLY HA2 1 14 VAL MG2 5.500 . 5.500 2.774 2.494 3.368 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLY HA3 1 14 VAL MG1 5.500 . 5.500 5.290 4.928 5.543 0.043 8 0 "[ . 1 . 2]" 1
143 1 11 GLY HA3 1 14 VAL MG2 5.500 . 5.500 4.221 3.992 4.621 . 0 0 "[ . 1 . 2]" 1
144 1 12 GLU H 1 12 GLU HB2 4.020 . 4.020 2.495 2.277 2.607 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLU H 1 12 GLU QB 3.490 . 3.490 2.451 2.251 2.550 . 0 0 "[ . 1 . 2]" 1
146 1 12 GLU H 1 12 GLU HB3 4.020 . 4.020 3.604 3.537 3.639 . 0 0 "[ . 1 . 2]" 1
147 1 12 GLU H 1 12 GLU HG2 4.320 . 4.320 3.057 2.084 3.954 . 0 0 "[ . 1 . 2]" 1
148 1 12 GLU H 1 12 GLU QG 3.700 . 3.700 2.247 2.031 3.355 . 0 0 "[ . 1 . 2]" 1
149 1 12 GLU H 1 12 GLU HG3 4.320 . 4.320 2.700 2.048 3.793 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLU H 1 13 LEU H 3.920 . 3.920 2.620 2.497 2.748 . 0 0 "[ . 1 . 2]" 1
151 1 12 GLU HA 1 12 GLU HG2 4.070 . 4.070 2.775 2.366 3.643 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLU HA 1 12 GLU HG3 4.070 . 4.070 3.297 2.375 3.878 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLU HA 1 15 ASP H 4.470 . 4.470 3.252 3.098 3.397 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLU HA 1 15 ASP HB2 4.670 . 4.670 2.990 2.355 3.452 . 0 0 "[ . 1 . 2]" 1
155 1 12 GLU HA 1 15 ASP QB 4.110 . 4.110 2.549 2.263 2.784 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLU HA 1 15 ASP HB3 4.670 . 4.670 3.125 2.351 4.442 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLU QB 1 15 ASP H 5.340 . 5.340 4.760 4.603 4.883 . 0 0 "[ . 1 . 2]" 1
158 1 12 GLU HB2 1 13 LEU H 4.370 . 4.370 2.822 2.584 2.973 . 0 0 "[ . 1 . 2]" 1
159 1 12 GLU HB3 1 13 LEU H 4.370 . 4.370 3.827 3.534 3.971 . 0 0 "[ . 1 . 2]" 1
160 1 12 GLU HG2 1 13 LEU H 5.200 . 5.200 4.854 4.228 5.212 0.012 18 0 "[ . 1 . 2]" 1
161 1 12 GLU HG3 1 13 LEU H 5.200 . 5.200 4.602 4.242 5.065 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU H 1 13 LEU HB2 3.910 . 3.910 2.389 2.070 2.584 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU H 1 13 LEU HB3 3.910 . 3.910 2.618 2.397 3.133 . 0 0 "[ . 1 . 2]" 1
164 1 13 LEU H 1 13 LEU MD1 4.320 . 4.320 4.149 4.031 4.243 . 0 0 "[ . 1 . 2]" 1
165 1 13 LEU H 1 13 LEU MD2 4.320 . 4.320 4.207 4.102 4.338 0.018 11 0 "[ . 1 . 2]" 1
166 1 13 LEU H 1 13 LEU HG 4.470 . 4.470 4.322 3.812 4.482 0.012 15 0 "[ . 1 . 2]" 1
167 1 13 LEU H 1 14 VAL H 3.890 . 3.890 2.593 2.466 2.733 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU H 1 14 VAL QG 4.320 . 4.320 3.961 3.758 4.174 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU HA 1 13 LEU QD 3.200 . 3.200 2.181 2.099 2.411 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU HA 1 13 LEU HG 4.230 . 4.230 3.100 2.538 3.380 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU QB 1 13 LEU QD 2.830 . 2.830 1.951 1.928 1.967 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU QB 1 14 VAL H 4.040 . 4.040 2.548 2.471 2.615 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU QB 1 14 VAL QG 4.060 . 4.060 3.027 2.927 3.136 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU HB2 1 14 VAL H 4.780 . 4.780 3.700 3.201 3.946 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU HB3 1 14 VAL H 4.780 . 4.780 2.605 2.523 2.669 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU QD 1 14 VAL H 3.890 . 3.890 3.913 3.714 3.994 0.104 15 0 "[ . 1 . 2]" 1
177 1 13 LEU QD 1 14 VAL HA 4.660 . 4.660 4.160 3.719 4.331 . 0 0 "[ . 1 . 2]" 1
178 1 13 LEU QD 1 14 VAL QG 4.160 . 4.160 3.699 3.577 3.869 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU QD 1 16 THR H 4.790 . 4.790 4.464 4.250 4.621 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU QD 1 16 THR HB 4.270 . 4.270 3.077 2.759 3.207 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU QD 1 16 THR HG1 5.060 . 5.060 4.424 4.177 5.079 0.019 9 0 "[ . 1 . 2]" 1
182 1 13 LEU QD 1 16 THR MG 4.070 . 4.070 3.817 3.613 3.996 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU QD 1 17 LEU H 4.430 . 4.430 3.829 3.530 3.965 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU QD 1 17 LEU HA 5.090 . 5.090 4.768 4.523 4.976 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU QD 1 17 LEU QD 2.920 . 2.920 2.477 1.996 2.809 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU QD 1 17 LEU HG 3.730 . 3.730 2.866 2.542 3.103 . 0 0 "[ . 1 . 2]" 1
187 1 13 LEU QD 1 28 PHE QD 4.420 . 4.420 4.024 3.004 4.441 0.021 14 0 "[ . 1 . 2]" 1
188 1 13 LEU QD 1 28 PHE QE 3.770 . 3.770 2.647 2.289 3.030 . 0 0 "[ . 1 . 2]" 1
189 1 13 LEU QD 1 28 PHE HZ 4.840 . 4.840 2.551 2.210 3.489 . 0 0 "[ . 1 . 2]" 1
190 1 13 LEU QD 1 42 ILE MD 3.200 . 3.200 2.701 2.559 3.052 . 0 0 "[ . 1 . 2]" 1
191 1 13 LEU QD 1 42 ILE HG12 3.090 . 3.090 2.463 2.250 2.936 . 0 0 "[ . 1 . 2]" 1
192 1 13 LEU QD 1 42 ILE HG13 3.760 . 3.760 2.146 1.919 3.672 . 0 0 "[ . 1 . 2]" 1
193 1 13 LEU QD 1 42 ILE MG 2.970 . 2.970 2.348 2.071 2.755 . 0 0 "[ . 1 . 2]" 1
194 1 13 LEU QD 1 43 VAL H 4.170 . 4.170 3.675 3.429 3.973 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU QD 1 43 VAL HA 3.400 . 3.400 2.434 2.159 2.926 . 0 0 "[ . 1 . 2]" 1
196 1 13 LEU QD 1 43 VAL QG 3.800 . 3.800 2.620 2.112 3.080 . 0 0 "[ . 1 . 2]" 1
197 1 13 LEU QD 1 46 CYS H 5.440 . 5.440 3.697 3.339 4.212 . 0 0 "[ . 1 . 2]" 1
198 1 13 LEU QD 1 46 CYS HA 5.440 . 5.440 4.336 4.092 4.765 . 0 0 "[ . 1 . 2]" 1
199 1 13 LEU QD 1 46 CYS QB 3.310 . 3.310 2.103 1.936 2.448 . 0 0 "[ . 1 . 2]" 1
200 1 13 LEU QD 1 47 CYS QB 4.710 . 4.710 3.186 2.611 4.181 . 0 0 "[ . 1 . 2]" 1
201 1 13 LEU MD1 1 14 VAL H 4.470 . 4.470 4.458 4.408 4.525 0.055 2 0 "[ . 1 . 2]" 1
202 1 13 LEU MD1 1 17 LEU HG 4.960 . 4.960 3.573 2.758 5.006 0.046 2 0 "[ . 1 . 2]" 1
203 1 13 LEU MD1 1 28 PHE QE 4.700 . 4.700 3.841 2.595 4.751 0.051 15 0 "[ . 1 . 2]" 1
204 1 13 LEU MD1 1 42 ILE MD 4.080 . 4.080 3.090 2.612 4.136 0.056 3 0 "[ . 1 . 2]" 1
205 1 13 LEU MD1 1 43 VAL HA 4.800 . 4.800 3.679 2.165 4.506 . 0 0 "[ . 1 . 2]" 1
206 1 13 LEU MD2 1 14 VAL H 4.470 . 4.470 4.344 3.965 4.492 0.022 15 0 "[ . 1 . 2]" 1
207 1 13 LEU MD2 1 17 LEU HG 4.960 . 4.960 4.177 2.549 4.963 0.003 7 0 "[ . 1 . 2]" 1
208 1 13 LEU MD2 1 28 PHE QE 4.700 . 4.700 2.844 2.297 3.926 . 0 0 "[ . 1 . 2]" 1
209 1 13 LEU MD2 1 42 ILE MD 4.080 . 4.080 3.509 2.612 4.113 0.033 1 0 "[ . 1 . 2]" 1
210 1 13 LEU MD2 1 43 VAL HA 4.800 . 4.800 3.054 2.232 4.448 . 0 0 "[ . 1 . 2]" 1
211 1 13 LEU HG 1 14 VAL H 5.020 . 5.020 4.196 3.744 5.058 0.038 2 0 "[ . 1 . 2]" 1
212 1 13 LEU HG 1 17 LEU QD 4.230 . 4.230 2.987 2.186 4.492 0.262 2 0 "[ . 1 . 2]" 1
213 1 13 LEU HG 1 42 ILE MG 4.810 . 4.810 3.962 2.982 4.886 0.076 6 0 "[ . 1 . 2]" 1
214 1 14 VAL H 1 14 VAL HB 3.580 . 3.580 2.491 2.447 2.546 . 0 0 "[ . 1 . 2]" 1
215 1 14 VAL H 1 14 VAL MG1 3.830 . 3.830 3.779 3.762 3.789 . 0 0 "[ . 1 . 2]" 1
216 1 14 VAL H 1 14 VAL QG 2.850 . 2.850 2.147 2.014 2.235 . 0 0 "[ . 1 . 2]" 1
217 1 14 VAL H 1 14 VAL MG2 3.830 . 3.830 2.159 2.022 2.251 . 0 0 "[ . 1 . 2]" 1
218 1 14 VAL H 1 15 ASP H 3.820 . 3.820 2.593 2.499 2.770 . 0 0 "[ . 1 . 2]" 1
219 1 14 VAL H 1 17 LEU QD 4.680 . 4.680 3.967 3.817 4.131 . 0 0 "[ . 1 . 2]" 1
220 1 14 VAL HA 1 14 VAL MG1 3.320 . 3.320 2.437 2.392 2.476 . 0 0 "[ . 1 . 2]" 1
221 1 14 VAL HA 1 14 VAL QG 2.800 . 2.800 2.153 2.123 2.186 . 0 0 "[ . 1 . 2]" 1
222 1 14 VAL HA 1 14 VAL MG2 3.320 . 3.320 2.398 2.353 2.438 . 0 0 "[ . 1 . 2]" 1
223 1 14 VAL HA 1 17 LEU H 4.470 . 4.470 3.282 3.122 3.437 . 0 0 "[ . 1 . 2]" 1
224 1 14 VAL HA 1 17 LEU HB2 4.390 . 4.390 2.446 2.264 2.602 . 0 0 "[ . 1 . 2]" 1
225 1 14 VAL HA 1 17 LEU QB 3.780 . 3.780 2.427 2.249 2.578 . 0 0 "[ . 1 . 2]" 1
226 1 14 VAL HA 1 17 LEU HB3 4.390 . 4.390 4.043 3.849 4.221 . 0 0 "[ . 1 . 2]" 1
227 1 14 VAL HA 1 17 LEU QD 3.290 . 3.290 2.235 2.123 2.425 . 0 0 "[ . 1 . 2]" 1
228 1 14 VAL HA 1 18 GLN H 5.080 . 5.080 4.106 3.968 4.289 . 0 0 "[ . 1 . 2]" 1
229 1 14 VAL HA 1 18 GLN HE22 5.500 . 5.500 5.008 4.149 5.538 0.038 17 0 "[ . 1 . 2]" 1
230 1 14 VAL HA 1 26 PHE QE 4.840 . 4.840 3.872 3.307 4.187 . 0 0 "[ . 1 . 2]" 1
231 1 14 VAL HA 1 28 PHE QD 5.500 . 5.500 4.659 3.762 5.512 0.012 15 0 "[ . 1 . 2]" 1
232 1 14 VAL HB 1 15 ASP H 4.200 . 4.200 2.656 2.572 2.760 . 0 0 "[ . 1 . 2]" 1
233 1 14 VAL QG 1 15 ASP H 3.400 . 3.400 3.253 3.200 3.310 . 0 0 "[ . 1 . 2]" 1
234 1 14 VAL QG 1 15 ASP HA 4.000 . 4.000 3.527 3.405 3.688 . 0 0 "[ . 1 . 2]" 1
235 1 14 VAL QG 1 17 LEU H 5.170 . 5.170 4.289 4.196 4.414 . 0 0 "[ . 1 . 2]" 1
236 1 14 VAL QG 1 17 LEU QD 3.950 . 3.950 2.969 2.739 3.138 . 0 0 "[ . 1 . 2]" 1
237 1 14 VAL QG 1 18 GLN H 5.320 . 5.320 3.947 3.829 4.098 . 0 0 "[ . 1 . 2]" 1
238 1 14 VAL QG 1 18 GLN HA 5.440 . 5.440 5.193 4.952 5.402 . 0 0 "[ . 1 . 2]" 1
239 1 14 VAL QG 1 18 GLN QB 4.260 . 4.260 4.140 3.970 4.343 0.083 18 0 "[ . 1 . 2]" 1
240 1 14 VAL QG 1 18 GLN HE21 3.830 . 3.830 3.073 2.779 3.934 0.104 9 0 "[ . 1 . 2]" 1
241 1 14 VAL QG 1 18 GLN HE22 3.270 . 3.270 2.272 1.834 2.890 . 0 0 "[ . 1 . 2]" 1
242 1 14 VAL QG 1 18 GLN QG 3.350 . 3.350 2.821 2.466 2.979 . 0 0 "[ . 1 . 2]" 1
243 1 14 VAL QG 1 26 PHE QD 5.440 . 5.440 4.420 4.261 4.598 . 0 0 "[ . 1 . 2]" 1
244 1 14 VAL QG 1 28 PHE QE 3.840 . 3.840 2.432 2.188 2.645 . 0 0 "[ . 1 . 2]" 1
245 1 14 VAL QG 1 28 PHE HZ 3.580 . 3.580 3.005 2.360 3.673 0.093 8 0 "[ . 1 . 2]" 1
246 1 14 VAL MG1 1 15 ASP H 3.970 . 3.970 3.494 3.405 3.614 . 0 0 "[ . 1 . 2]" 1
247 1 14 VAL MG1 1 26 PHE QE 4.170 . 4.170 3.069 2.813 3.263 . 0 0 "[ . 1 . 2]" 1
248 1 14 VAL MG1 1 26 PHE HZ 3.780 . 3.780 2.056 1.931 2.142 . 0 0 "[ . 1 . 2]" 1
249 1 14 VAL MG2 1 15 ASP H 3.970 . 3.970 3.881 3.764 3.973 0.003 9 0 "[ . 1 . 2]" 1
250 1 14 VAL MG2 1 26 PHE QE 4.170 . 4.170 3.522 3.116 3.797 . 0 0 "[ . 1 . 2]" 1
251 1 14 VAL MG2 1 26 PHE HZ 3.780 . 3.780 3.752 3.396 3.836 0.056 13 0 "[ . 1 . 2]" 1
252 1 15 ASP H 1 15 ASP HB2 4.050 . 4.050 2.460 2.335 2.557 . 0 0 "[ . 1 . 2]" 1
253 1 15 ASP H 1 15 ASP HB3 4.050 . 4.050 2.860 2.470 3.608 . 0 0 "[ . 1 . 2]" 1
254 1 15 ASP H 1 16 THR H 4.010 . 4.010 2.727 2.625 2.830 . 0 0 "[ . 1 . 2]" 1
255 1 15 ASP HA 1 18 GLN HB2 4.940 . 4.940 2.858 2.715 3.012 . 0 0 "[ . 1 . 2]" 1
256 1 15 ASP HA 1 18 GLN QB 4.060 . 4.060 2.828 2.689 2.975 . 0 0 "[ . 1 . 2]" 1
257 1 15 ASP HA 1 18 GLN HB3 4.940 . 4.940 4.494 4.345 4.631 . 0 0 "[ . 1 . 2]" 1
258 1 15 ASP QB 1 16 THR H 4.050 . 4.050 2.439 2.294 2.631 . 0 0 "[ . 1 . 2]" 1
259 1 15 ASP HB2 1 16 THR H 4.670 . 4.670 3.408 2.495 3.912 . 0 0 "[ . 1 . 2]" 1
260 1 15 ASP HB3 1 16 THR H 4.670 . 4.670 2.795 2.319 3.693 . 0 0 "[ . 1 . 2]" 1
261 1 16 THR H 1 16 THR HG1 3.580 . 3.580 2.033 1.856 2.993 . 0 0 "[ . 1 . 2]" 1
262 1 16 THR H 1 16 THR MG 3.990 . 3.990 3.777 3.759 3.791 . 0 0 "[ . 1 . 2]" 1
263 1 16 THR H 1 17 LEU H 3.810 . 3.810 2.725 2.624 2.798 . 0 0 "[ . 1 . 2]" 1
264 1 16 THR H 1 17 LEU QD 5.010 . 5.010 4.828 4.702 4.990 . 0 0 "[ . 1 . 2]" 1
265 1 16 THR HA 1 16 THR MG 3.340 . 3.340 2.327 2.288 2.355 . 0 0 "[ . 1 . 2]" 1
266 1 16 THR HA 1 19 PHE H 4.310 . 4.310 3.242 3.050 3.407 . 0 0 "[ . 1 . 2]" 1
267 1 16 THR HA 1 19 PHE HB2 4.530 . 4.530 3.338 3.137 3.596 . 0 0 "[ . 1 . 2]" 1
268 1 16 THR HA 1 19 PHE HB3 4.530 . 4.530 2.568 2.415 2.815 . 0 0 "[ . 1 . 2]" 1
269 1 16 THR HA 1 20 VAL QG 4.580 . 4.580 3.707 3.562 4.557 . 0 0 "[ . 1 . 2]" 1
270 1 16 THR HA 1 56 LEU MD1 5.330 . 5.330 4.954 4.783 5.179 . 0 0 "[ . 1 . 2]" 1
271 1 16 THR HB 1 17 LEU H 4.290 . 4.290 2.665 2.593 2.755 . 0 0 "[ . 1 . 2]" 1
272 1 16 THR HB 1 17 LEU QB 5.290 . 5.290 4.558 4.468 4.658 . 0 0 "[ . 1 . 2]" 1
273 1 16 THR HB 1 17 LEU QD 4.900 . 4.900 4.254 4.163 4.376 . 0 0 "[ . 1 . 2]" 1
274 1 16 THR HB 1 56 LEU MD1 4.170 . 4.170 2.920 2.706 3.155 . 0 0 "[ . 1 . 2]" 1
275 1 16 THR HB 1 56 LEU MD2 4.520 . 4.520 3.439 3.107 3.600 . 0 0 "[ . 1 . 2]" 1
276 1 16 THR MG 1 17 LEU H 4.160 . 4.160 3.673 3.595 3.749 . 0 0 "[ . 1 . 2]" 1
277 1 16 THR MG 1 17 LEU QD 4.480 . 4.480 4.305 4.195 4.391 . 0 0 "[ . 1 . 2]" 1
278 1 16 THR MG 1 19 PHE QB 4.700 . 4.700 3.345 3.108 3.540 . 0 0 "[ . 1 . 2]" 1
279 1 16 THR MG 1 19 PHE QD 4.370 . 4.370 3.688 3.025 4.279 . 0 0 "[ . 1 . 2]" 1
280 1 16 THR MG 1 20 VAL H 4.720 . 4.720 3.785 3.644 3.981 . 0 0 "[ . 1 . 2]" 1
281 1 16 THR MG 1 20 VAL HA 5.240 . 5.240 5.095 4.966 5.261 0.021 17 0 "[ . 1 . 2]" 1
282 1 16 THR MG 1 20 VAL HB 4.080 . 4.080 3.830 3.242 4.059 . 0 0 "[ . 1 . 2]" 1
283 1 16 THR MG 1 20 VAL MG1 4.410 . 4.410 4.249 3.270 4.471 0.061 9 0 "[ . 1 . 2]" 1
284 1 16 THR MG 1 20 VAL QG 2.990 . 2.990 2.345 2.197 3.158 0.168 11 0 "[ . 1 . 2]" 1
285 1 16 THR MG 1 20 VAL MG2 4.410 . 4.410 2.404 2.204 4.165 . 0 0 "[ . 1 . 2]" 1
286 1 16 THR MG 1 42 ILE MD 5.280 . 5.280 5.259 5.022 5.378 0.098 11 0 "[ . 1 . 2]" 1
287 1 16 THR MG 1 53 LEU HA 4.880 . 4.880 4.668 4.299 4.882 0.002 1 0 "[ . 1 . 2]" 1
288 1 16 THR MG 1 56 LEU HB2 4.580 . 4.580 4.463 4.343 4.548 . 0 0 "[ . 1 . 2]" 1
289 1 16 THR MG 1 56 LEU HB3 4.130 . 4.130 4.102 3.856 4.194 0.064 2 0 "[ . 1 . 2]" 1
290 1 16 THR MG 1 56 LEU MD1 2.830 . 2.830 2.226 2.114 2.363 . 0 0 "[ . 1 . 2]" 1
291 1 16 THR MG 1 56 LEU MD2 3.280 . 3.280 2.401 2.206 2.576 . 0 0 "[ . 1 . 2]" 1
292 1 17 LEU H 1 17 LEU QB 3.550 . 3.550 2.248 2.189 2.284 . 0 0 "[ . 1 . 2]" 1
293 1 17 LEU H 1 17 LEU MD1 4.060 . 4.060 3.282 3.195 3.402 . 0 0 "[ . 1 . 2]" 1
294 1 17 LEU H 1 17 LEU QD 3.380 . 3.380 3.144 3.077 3.240 . 0 0 "[ . 1 . 2]" 1
295 1 17 LEU H 1 17 LEU MD2 4.060 . 4.060 4.028 3.962 4.072 0.012 5 0 "[ . 1 . 2]" 1
296 1 17 LEU H 1 17 LEU HG 3.950 . 3.950 2.749 2.629 2.877 . 0 0 "[ . 1 . 2]" 1
297 1 17 LEU H 1 20 VAL QG 4.850 . 4.850 4.689 4.228 4.824 . 0 0 "[ . 1 . 2]" 1
298 1 17 LEU H 1 56 LEU MD1 4.450 . 4.450 4.279 4.078 4.419 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU H 1 56 LEU MD2 4.610 . 4.610 3.578 3.345 3.732 . 0 0 "[ . 1 . 2]" 1
300 1 17 LEU HA 1 17 LEU MD1 3.940 . 3.940 3.836 3.806 3.882 . 0 0 "[ . 1 . 2]" 1
301 1 17 LEU HA 1 17 LEU QD 2.900 . 2.900 2.284 2.205 2.332 . 0 0 "[ . 1 . 2]" 1
302 1 17 LEU HA 1 17 LEU MD2 3.940 . 3.940 2.301 2.218 2.352 . 0 0 "[ . 1 . 2]" 1
303 1 17 LEU HA 1 17 LEU HG 3.910 . 3.910 2.610 2.554 2.663 . 0 0 "[ . 1 . 2]" 1
304 1 17 LEU HA 1 20 VAL H 4.940 . 4.940 3.479 3.392 3.559 . 0 0 "[ . 1 . 2]" 1
305 1 17 LEU HA 1 20 VAL HB 4.570 . 4.570 2.980 2.711 4.207 . 0 0 "[ . 1 . 2]" 1
306 1 17 LEU HA 1 20 VAL MG1 4.610 . 4.610 4.200 2.038 4.612 0.002 18 0 "[ . 1 . 2]" 1
307 1 17 LEU HA 1 20 VAL QG 3.820 . 3.820 3.410 2.036 3.636 . 0 0 "[ . 1 . 2]" 1
308 1 17 LEU HA 1 20 VAL MG2 4.610 . 4.610 3.729 3.405 4.742 0.132 11 0 "[ . 1 . 2]" 1
309 1 17 LEU HA 1 21 CYS H 4.550 . 4.550 3.722 3.523 4.039 . 0 0 "[ . 1 . 2]" 1
310 1 17 LEU HA 1 56 LEU MD1 4.470 . 4.470 4.158 3.993 4.392 . 0 0 "[ . 1 . 2]" 1
311 1 17 LEU HA 1 56 LEU MD2 3.370 . 3.370 2.255 2.103 2.389 . 0 0 "[ . 1 . 2]" 1
312 1 17 LEU QB 1 17 LEU QD 2.620 . 2.620 1.919 1.895 1.934 . 0 0 "[ . 1 . 2]" 1
313 1 17 LEU QB 1 18 GLN H 3.610 . 3.610 2.691 2.615 2.778 . 0 0 "[ . 1 . 2]" 1
314 1 17 LEU QB 1 18 GLN HA 5.340 . 5.340 3.961 3.891 4.052 . 0 0 "[ . 1 . 2]" 1
315 1 17 LEU QB 1 26 PHE QD 4.240 . 4.240 2.952 2.756 3.032 . 0 0 "[ . 1 . 2]" 1
316 1 17 LEU QB 1 56 LEU MD2 4.450 . 4.450 3.612 3.514 3.696 . 0 0 "[ . 1 . 2]" 1
317 1 17 LEU HB2 1 18 GLN H 4.210 . 4.210 2.799 2.708 2.923 . 0 0 "[ . 1 . 2]" 1
318 1 17 LEU HB2 1 26 PHE QD 4.860 . 4.860 4.031 3.876 4.155 . 0 0 "[ . 1 . 2]" 1
319 1 17 LEU HB3 1 18 GLN H 4.210 . 4.210 3.497 3.447 3.572 . 0 0 "[ . 1 . 2]" 1
320 1 17 LEU HB3 1 26 PHE QD 4.860 . 4.860 3.036 2.820 3.140 . 0 0 "[ . 1 . 2]" 1
321 1 17 LEU QD 1 18 GLN H 4.650 . 4.650 4.174 4.103 4.247 . 0 0 "[ . 1 . 2]" 1
322 1 17 LEU QD 1 20 VAL HB 5.440 . 5.440 3.949 3.724 5.219 . 0 0 "[ . 1 . 2]" 1
323 1 17 LEU QD 1 20 VAL QG 3.950 . 3.950 3.800 2.947 4.079 0.129 18 0 "[ . 1 . 2]" 1
324 1 17 LEU QD 1 21 CYS H 4.970 . 4.970 4.572 4.374 4.878 . 0 0 "[ . 1 . 2]" 1
325 1 17 LEU QD 1 26 PHE HA 4.920 . 4.920 4.312 4.157 4.612 . 0 0 "[ . 1 . 2]" 1
326 1 17 LEU QD 1 26 PHE HB2 3.900 . 3.900 2.294 2.170 2.529 . 0 0 "[ . 1 . 2]" 1
327 1 17 LEU QD 1 26 PHE HB3 3.730 . 3.730 3.155 2.863 3.386 . 0 0 "[ . 1 . 2]" 1
328 1 17 LEU QD 1 26 PHE QD 3.450 . 3.450 2.415 2.256 2.576 . 0 0 "[ . 1 . 2]" 1
329 1 17 LEU QD 1 26 PHE QE 3.880 . 3.880 2.688 2.432 2.930 . 0 0 "[ . 1 . 2]" 1
330 1 17 LEU QD 1 26 PHE HZ 5.150 . 5.150 3.872 3.702 4.073 . 0 0 "[ . 1 . 2]" 1
331 1 17 LEU QD 1 27 TYR H 4.590 . 4.590 3.742 3.551 3.988 . 0 0 "[ . 1 . 2]" 1
332 1 17 LEU QD 1 28 PHE HA 4.730 . 4.730 3.818 3.365 4.598 . 0 0 "[ . 1 . 2]" 1
333 1 17 LEU QD 1 28 PHE QD 3.800 . 3.800 2.543 2.040 3.234 . 0 0 "[ . 1 . 2]" 1
334 1 17 LEU QD 1 28 PHE QE 3.520 . 3.520 2.338 2.071 3.057 . 0 0 "[ . 1 . 2]" 1
335 1 17 LEU QD 1 42 ILE HG12 4.600 . 4.600 2.234 1.990 3.828 . 0 0 "[ . 1 . 2]" 1
336 1 17 LEU QD 1 42 ILE HG13 4.970 . 4.970 3.456 3.049 4.673 . 0 0 "[ . 1 . 2]" 1
337 1 17 LEU QD 1 42 ILE MG 3.640 . 3.640 2.531 2.097 3.154 . 0 0 "[ . 1 . 2]" 1
338 1 17 LEU QD 1 56 LEU HA 5.440 . 5.440 4.008 3.725 4.313 . 0 0 "[ . 1 . 2]" 1
339 1 17 LEU QD 1 56 LEU HB2 5.260 . 5.260 4.951 4.813 5.087 . 0 0 "[ . 1 . 2]" 1
340 1 17 LEU QD 1 56 LEU HB3 4.690 . 4.690 4.605 4.492 4.695 0.005 4 0 "[ . 1 . 2]" 1
341 1 17 LEU QD 1 56 LEU MD1 3.410 . 3.410 3.442 3.218 3.602 0.192 11 0 "[ . 1 . 2]" 1
342 1 17 LEU QD 1 56 LEU MD2 2.830 . 2.830 2.133 2.092 2.156 . 0 0 "[ . 1 . 2]" 1
343 1 17 LEU QD 1 56 LEU HG 3.550 . 3.550 2.930 2.700 3.153 . 0 0 "[ . 1 . 2]" 1
344 1 17 LEU QD 1 59 TYR QB 3.320 . 3.320 2.471 2.351 2.642 . 0 0 "[ . 1 . 2]" 1
345 1 17 LEU QD 1 59 TYR QD 4.530 . 4.530 3.863 3.710 4.130 . 0 0 "[ . 1 . 2]" 1
346 1 17 LEU QD 1 60 CYS H 4.920 . 4.920 4.530 4.273 4.826 . 0 0 "[ . 1 . 2]" 1
347 1 17 LEU MD1 1 26 PHE QD 4.150 . 4.150 2.624 2.464 2.790 . 0 0 "[ . 1 . 2]" 1
348 1 17 LEU MD1 1 26 PHE QE 4.700 . 4.700 2.723 2.455 2.975 . 0 0 "[ . 1 . 2]" 1
349 1 17 LEU MD1 1 28 PHE HA 5.500 . 5.500 4.028 3.494 5.078 . 0 0 "[ . 1 . 2]" 1
350 1 17 LEU MD1 1 28 PHE QD 4.650 . 4.650 2.570 2.046 3.298 . 0 0 "[ . 1 . 2]" 1
351 1 17 LEU MD1 1 28 PHE QE 4.930 . 4.930 2.346 2.075 3.084 . 0 0 "[ . 1 . 2]" 1
352 1 17 LEU MD1 1 56 LEU MD1 4.310 . 4.310 4.151 3.894 4.353 0.043 8 0 "[ . 1 . 2]" 1
353 1 17 LEU MD1 1 56 LEU MD2 3.750 . 3.750 3.679 3.517 3.842 0.092 17 0 "[ . 1 . 2]" 1
354 1 17 LEU MD2 1 26 PHE QD 4.150 . 4.150 2.841 2.532 3.160 . 0 0 "[ . 1 . 2]" 1
355 1 17 LEU MD2 1 26 PHE QE 4.700 . 4.700 4.143 3.906 4.413 . 0 0 "[ . 1 . 2]" 1
356 1 17 LEU MD2 1 28 PHE HA 5.500 . 5.500 4.759 4.281 5.255 . 0 0 "[ . 1 . 2]" 1
357 1 17 LEU MD2 1 28 PHE QD 4.650 . 4.650 4.243 3.851 4.751 0.101 13 0 "[ . 1 . 2]" 1
358 1 17 LEU MD2 1 28 PHE QE 4.930 . 4.930 4.627 4.270 5.015 0.085 18 0 "[ . 1 . 2]" 1
359 1 17 LEU MD2 1 56 LEU MD1 4.310 . 4.310 3.678 3.431 3.880 . 0 0 "[ . 1 . 2]" 1
360 1 17 LEU MD2 1 56 LEU MD2 3.750 . 3.750 2.146 2.105 2.169 . 0 0 "[ . 1 . 2]" 1
361 1 17 LEU HG 1 26 PHE QD 5.310 . 5.310 4.999 4.845 5.161 . 0 0 "[ . 1 . 2]" 1
362 1 17 LEU HG 1 56 LEU MD1 3.920 . 3.920 3.247 3.029 3.468 . 0 0 "[ . 1 . 2]" 1
363 1 17 LEU HG 1 56 LEU MD2 3.960 . 3.960 2.271 2.072 2.494 . 0 0 "[ . 1 . 2]" 1
364 1 18 GLN H 1 18 GLN HB2 3.690 . 3.690 2.395 2.365 2.454 . 0 0 "[ . 1 . 2]" 1
365 1 18 GLN H 1 18 GLN HB3 3.690 . 3.690 3.606 3.583 3.624 . 0 0 "[ . 1 . 2]" 1
366 1 18 GLN H 1 18 GLN HG2 3.960 . 3.960 3.628 2.370 3.790 . 0 0 "[ . 1 . 2]" 1
367 1 18 GLN H 1 18 GLN QG 3.450 . 3.450 2.420 2.332 2.492 . 0 0 "[ . 1 . 2]" 1
368 1 18 GLN H 1 18 GLN HG3 3.960 . 3.960 2.509 2.365 3.468 . 0 0 "[ . 1 . 2]" 1
369 1 18 GLN H 1 19 PHE H 3.900 . 3.900 2.637 2.585 2.701 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLN H 1 20 VAL QG 5.420 . 5.420 5.172 4.482 5.323 . 0 0 "[ . 1 . 2]" 1
371 1 18 GLN H 1 26 PHE QE 4.690 . 4.690 3.963 3.426 4.386 . 0 0 "[ . 1 . 2]" 1
372 1 18 GLN HA 1 18 GLN HG2 4.100 . 4.100 2.542 2.374 2.859 . 0 0 "[ . 1 . 2]" 1
373 1 18 GLN HA 1 18 GLN QG 3.390 . 3.390 2.406 2.290 2.783 . 0 0 "[ . 1 . 2]" 1
374 1 18 GLN HA 1 18 GLN HG3 4.100 . 4.100 2.988 2.830 3.819 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLN HA 1 21 CYS H 4.700 . 4.700 3.761 3.342 3.935 . 0 0 "[ . 1 . 2]" 1
376 1 18 GLN HA 1 26 PHE QD 4.290 . 4.290 3.298 2.934 3.712 . 0 0 "[ . 1 . 2]" 1
377 1 18 GLN HA 1 26 PHE QE 4.180 . 4.180 3.218 2.453 3.846 . 0 0 "[ . 1 . 2]" 1
378 1 18 GLN QB 1 18 GLN HE22 4.240 . 4.240 3.760 3.188 3.956 . 0 0 "[ . 1 . 2]" 1
379 1 18 GLN HB2 1 18 GLN HE22 4.850 . 4.850 4.109 3.297 4.560 . 0 0 "[ . 1 . 2]" 1
380 1 18 GLN HB2 1 19 PHE H 4.520 . 4.520 2.694 2.506 2.828 . 0 0 "[ . 1 . 2]" 1
381 1 18 GLN HB2 1 26 PHE QE 5.500 . 5.500 4.589 4.173 4.835 . 0 0 "[ . 1 . 2]" 1
382 1 18 GLN HB3 1 18 GLN HE22 4.850 . 4.850 4.414 4.223 4.501 . 0 0 "[ . 1 . 2]" 1
383 1 18 GLN HB3 1 19 PHE H 4.520 . 4.520 3.605 3.444 3.724 . 0 0 "[ . 1 . 2]" 1
384 1 18 GLN HB3 1 26 PHE QE 5.500 . 5.500 4.451 4.043 4.744 . 0 0 "[ . 1 . 2]" 1
385 1 18 GLN HE22 1 26 PHE QE 3.630 . 3.630 3.328 2.591 3.675 0.045 18 0 "[ . 1 . 2]" 1
386 1 18 GLN QG 1 26 PHE QE 3.320 . 3.320 2.126 1.913 2.525 . 0 0 "[ . 1 . 2]" 1
387 1 18 GLN HG2 1 26 PHE QE 3.880 . 3.880 2.328 2.144 2.557 . 0 0 "[ . 1 . 2]" 1
388 1 18 GLN HG2 1 26 PHE HZ 4.530 . 4.530 4.130 2.793 4.533 0.003 20 0 "[ . 1 . 2]" 1
389 1 18 GLN HG3 1 26 PHE QE 3.880 . 3.880 2.509 2.026 3.912 0.032 9 0 "[ . 1 . 2]" 1
390 1 18 GLN HG3 1 26 PHE HZ 4.530 . 4.530 3.477 2.968 4.120 . 0 0 "[ . 1 . 2]" 1
391 1 19 PHE H 1 19 PHE HB2 3.700 . 3.700 2.523 2.361 2.701 . 0 0 "[ . 1 . 2]" 1
392 1 19 PHE H 1 19 PHE HB3 3.700 . 3.700 2.473 2.322 2.615 . 0 0 "[ . 1 . 2]" 1
393 1 19 PHE H 1 19 PHE QD 4.460 . 4.460 4.194 4.154 4.230 . 0 0 "[ . 1 . 2]" 1
394 1 19 PHE H 1 20 VAL H 4.120 . 4.120 2.754 2.618 2.820 . 0 0 "[ . 1 . 2]" 1
395 1 19 PHE H 1 20 VAL QG 4.490 . 4.490 4.195 4.086 4.285 . 0 0 "[ . 1 . 2]" 1
396 1 19 PHE HA 1 19 PHE QD 4.080 . 4.080 2.796 2.653 2.872 . 0 0 "[ . 1 . 2]" 1
397 1 19 PHE HA 1 20 VAL QG 5.440 . 5.440 4.762 4.609 5.002 . 0 0 "[ . 1 . 2]" 1
398 1 19 PHE QB 1 20 VAL QG 4.520 . 4.520 3.021 2.807 3.886 . 0 0 "[ . 1 . 2]" 1
399 1 19 PHE HB2 1 20 VAL H 4.250 . 4.250 3.868 3.778 3.959 . 0 0 "[ . 1 . 2]" 1
400 1 19 PHE HB3 1 20 VAL H 4.250 . 4.250 2.520 2.402 2.636 . 0 0 "[ . 1 . 2]" 1
401 1 19 PHE QD 1 20 VAL H 4.630 . 4.630 3.353 3.142 3.611 . 0 0 "[ . 1 . 2]" 1
402 1 19 PHE QD 1 20 VAL HA 4.690 . 4.690 3.286 3.062 3.525 . 0 0 "[ . 1 . 2]" 1
403 1 19 PHE QD 1 20 VAL MG1 4.810 . 4.810 4.585 4.349 4.815 0.005 13 0 "[ . 1 . 2]" 1
404 1 19 PHE QD 1 20 VAL QG 3.620 . 3.620 2.552 2.154 3.639 0.019 11 0 "[ . 1 . 2]" 1
405 1 19 PHE QD 1 20 VAL MG2 4.810 . 4.810 2.576 2.159 3.902 . 0 0 "[ . 1 . 2]" 1
406 1 19 PHE QE 1 20 VAL QG 5.160 . 5.160 3.828 3.132 4.487 . 0 0 "[ . 1 . 2]" 1
407 1 20 VAL H 1 20 VAL HB 3.690 . 3.690 2.443 2.378 2.486 . 0 0 "[ . 1 . 2]" 1
408 1 20 VAL H 1 20 VAL MG1 3.780 . 3.780 3.711 2.239 3.812 0.032 17 0 "[ . 1 . 2]" 1
409 1 20 VAL H 1 20 VAL QG 3.080 . 3.080 2.251 2.161 2.340 . 0 0 "[ . 1 . 2]" 1
410 1 20 VAL H 1 20 VAL MG2 3.780 . 3.780 2.345 2.174 3.771 . 0 0 "[ . 1 . 2]" 1
411 1 20 VAL H 1 56 LEU MD2 4.570 . 4.570 3.966 3.644 4.149 . 0 0 "[ . 1 . 2]" 1
412 1 20 VAL HA 1 20 VAL MG1 3.210 . 3.210 2.518 2.411 3.228 0.018 11 0 "[ . 1 . 2]" 1
413 1 20 VAL HA 1 20 VAL QG 2.800 . 2.800 2.143 2.116 2.262 . 0 0 "[ . 1 . 2]" 1
414 1 20 VAL HA 1 20 VAL MG2 3.210 . 3.210 2.332 2.283 2.376 . 0 0 "[ . 1 . 2]" 1
415 1 20 VAL HA 1 56 LEU MD2 5.320 . 5.320 4.846 4.658 5.206 . 0 0 "[ . 1 . 2]" 1
416 1 20 VAL HB 1 21 CYS H 4.060 . 4.060 2.807 2.674 4.063 0.003 11 0 "[ . 1 . 2]" 1
417 1 20 VAL HB 1 56 LEU MD2 3.770 . 3.770 2.600 2.275 3.150 . 0 0 "[ . 1 . 2]" 1
418 1 20 VAL QG 1 21 CYS HA 4.580 . 4.580 3.395 3.232 3.843 . 0 0 "[ . 1 . 2]" 1
419 1 20 VAL QG 1 21 CYS QB 5.080 . 5.080 3.835 2.858 4.266 . 0 0 "[ . 1 . 2]" 1
420 1 20 VAL QG 1 53 LEU HB2 5.440 . 5.440 4.455 4.134 4.813 . 0 0 "[ . 1 . 2]" 1
421 1 20 VAL QG 1 54 ALA HA 5.410 . 5.410 4.847 4.298 5.390 . 0 0 "[ . 1 . 2]" 1
422 1 20 VAL QG 1 56 LEU H 5.440 . 5.440 4.658 4.241 4.940 . 0 0 "[ . 1 . 2]" 1
423 1 20 VAL QG 1 56 LEU HA 4.640 . 4.640 4.701 4.481 4.815 0.175 16 0 "[ . 1 . 2]" 1
424 1 20 VAL QG 1 56 LEU HB2 4.530 . 4.530 4.079 3.744 4.265 . 0 0 "[ . 1 . 2]" 1
425 1 20 VAL QG 1 56 LEU HB3 3.350 . 3.350 2.805 2.493 2.980 . 0 0 "[ . 1 . 2]" 1
426 1 20 VAL QG 1 56 LEU MD1 3.310 . 3.310 3.256 2.986 3.711 0.401 11 0 "[ . 1 . 2]" 1
427 1 20 VAL QG 1 56 LEU MD2 2.770 . 2.770 1.982 1.902 2.056 . 0 0 "[ . 1 . 2]" 1
428 1 20 VAL QG 1 56 LEU HG 4.410 . 4.410 4.280 4.087 4.373 . 0 0 "[ . 1 . 2]" 1
429 1 20 VAL QG 1 57 GLU H 3.600 . 3.600 3.257 2.908 3.578 . 0 0 "[ . 1 . 2]" 1
430 1 20 VAL QG 1 57 GLU HA 3.140 . 3.140 2.312 2.006 2.515 . 0 0 "[ . 1 . 2]" 1
431 1 20 VAL QG 1 57 GLU HB2 3.260 . 3.260 2.687 2.417 3.056 . 0 0 "[ . 1 . 2]" 1
432 1 20 VAL QG 1 57 GLU HB3 4.270 . 4.270 3.923 3.708 4.208 . 0 0 "[ . 1 . 2]" 1
433 1 20 VAL QG 1 57 GLU QG 3.250 . 3.250 2.519 2.321 2.740 . 0 0 "[ . 1 . 2]" 1
434 1 20 VAL QG 1 59 TYR H 5.440 . 5.440 5.047 4.616 5.208 . 0 0 "[ . 1 . 2]" 1
435 1 20 VAL MG1 1 21 CYS H 4.020 . 4.020 3.393 2.413 3.574 . 0 0 "[ . 1 . 2]" 1
436 1 20 VAL MG1 1 53 LEU HA 5.080 . 5.080 4.356 3.550 5.083 0.003 14 0 "[ . 1 . 2]" 1
437 1 20 VAL MG1 1 56 LEU HA 5.500 . 5.500 5.084 4.734 5.302 . 0 0 "[ . 1 . 2]" 1
438 1 20 VAL MG1 1 56 LEU HB3 3.900 . 3.900 3.191 2.730 3.641 . 0 0 "[ . 1 . 2]" 1
439 1 20 VAL MG1 1 57 GLU H 4.960 . 4.960 3.366 2.944 3.879 . 0 0 "[ . 1 . 2]" 1
440 1 20 VAL MG2 1 21 CYS H 4.020 . 4.020 3.995 3.926 4.046 0.026 1 0 "[ . 1 . 2]" 1
441 1 20 VAL MG2 1 53 LEU HA 5.080 . 5.080 3.785 3.262 4.104 . 0 0 "[ . 1 . 2]" 1
442 1 20 VAL MG2 1 56 LEU HA 5.500 . 5.500 5.544 5.358 5.657 0.157 2 0 "[ . 1 . 2]" 1
443 1 20 VAL MG2 1 56 LEU HB3 3.900 . 3.900 3.128 2.881 3.402 . 0 0 "[ . 1 . 2]" 1
444 1 20 VAL MG2 1 57 GLU H 4.960 . 4.960 4.545 3.374 4.857 . 0 0 "[ . 1 . 2]" 1
445 1 21 CYS CB 1 60 CYS SG 3.100 . 3.100 3.042 3.014 3.083 . 0 0 "[ . 1 . 2]" 1
446 1 21 CYS H 1 21 CYS HB2 3.930 . 3.930 2.529 2.409 2.705 . 0 0 "[ . 1 . 2]" 1
447 1 21 CYS H 1 21 CYS QB 3.420 . 3.420 2.442 2.245 2.629 . 0 0 "[ . 1 . 2]" 1
448 1 21 CYS H 1 21 CYS HB3 3.930 . 3.930 3.427 2.398 3.758 . 0 0 "[ . 1 . 2]" 1
449 1 21 CYS H 1 22 GLY H 3.560 . 3.560 2.371 2.095 2.540 . 0 0 "[ . 1 . 2]" 1
450 1 21 CYS H 1 22 GLY QA 5.020 . 5.020 4.259 3.893 4.386 . 0 0 "[ . 1 . 2]" 1
451 1 21 CYS QB 1 22 GLY H 3.970 . 3.970 3.048 2.734 3.893 . 0 0 "[ . 1 . 2]" 1
452 1 21 CYS QB 1 26 PHE QD 4.180 . 4.180 3.081 2.648 3.877 . 0 0 "[ . 1 . 2]" 1
453 1 21 CYS QB 1 60 CYS H 5.340 . 5.340 5.011 4.233 5.225 . 0 0 "[ . 1 . 2]" 1
454 1 21 CYS QB 1 60 CYS QB 4.030 . 4.030 2.867 2.455 4.080 0.050 16 0 "[ . 1 . 2]" 1
455 1 21 CYS QB 1 61 ALA H 4.570 . 4.570 3.644 3.231 4.281 . 0 0 "[ . 1 . 2]" 1
456 1 21 CYS QB 1 61 ALA MB 5.180 . 5.180 4.708 4.139 5.160 . 0 0 "[ . 1 . 2]" 1
457 1 21 CYS HB2 1 22 GLY H 4.610 . 4.610 3.377 2.832 4.354 . 0 0 "[ . 1 . 2]" 1
458 1 21 CYS HB3 1 22 GLY H 4.610 . 4.610 3.828 3.009 4.385 . 0 0 "[ . 1 . 2]" 1
459 1 21 CYS SG 1 60 CYS CB 3.100 . 3.100 3.039 2.982 3.073 . 0 0 "[ . 1 . 2]" 1
460 1 21 CYS SG 1 60 CYS SG 2.100 . 2.100 2.028 2.018 2.034 . 0 0 "[ . 1 . 2]" 1
461 1 22 GLY H 1 23 ASP H 4.710 . 4.710 4.495 2.838 4.629 . 0 0 "[ . 1 . 2]" 1
462 1 23 ASP H 1 23 ASP HB2 3.990 . 3.990 2.872 2.229 3.607 . 0 0 "[ . 1 . 2]" 1
463 1 23 ASP H 1 23 ASP QB 3.480 . 3.480 2.313 2.129 2.832 . 0 0 "[ . 1 . 2]" 1
464 1 23 ASP H 1 23 ASP HB3 3.990 . 3.990 2.632 2.319 3.563 . 0 0 "[ . 1 . 2]" 1
465 1 23 ASP H 1 24 ARG H 3.830 . 3.830 2.780 2.549 2.961 . 0 0 "[ . 1 . 2]" 1
466 1 23 ASP HB2 1 24 ARG H 4.720 . 4.720 4.086 2.966 4.372 . 0 0 "[ . 1 . 2]" 1
467 1 23 ASP HB3 1 24 ARG H 4.720 . 4.720 3.761 2.486 4.561 . 0 0 "[ . 1 . 2]" 1
468 1 24 ARG H 1 24 ARG QB 3.560 . 3.560 2.477 2.149 2.765 . 0 0 "[ . 1 . 2]" 1
469 1 24 ARG H 1 24 ARG QD 4.080 . 4.080 3.681 2.161 4.182 0.102 2 0 "[ . 1 . 2]" 1
470 1 24 ARG H 1 24 ARG HE 4.820 . 4.820 4.045 2.918 4.853 0.033 16 0 "[ . 1 . 2]" 1
471 1 24 ARG H 1 24 ARG HG2 3.870 . 3.870 2.807 1.876 3.894 0.024 18 0 "[ . 1 . 2]" 1
472 1 24 ARG H 1 24 ARG HG3 3.870 . 3.870 2.906 2.038 3.871 0.001 18 0 "[ . 1 . 2]" 1
473 1 24 ARG H 1 25 GLY H 3.700 . 3.700 2.585 2.416 2.735 . 0 0 "[ . 1 . 2]" 1
474 1 24 ARG HA 1 24 ARG HG2 4.230 . 4.230 2.975 2.500 3.708 . 0 0 "[ . 1 . 2]" 1
475 1 24 ARG HA 1 24 ARG QG 3.660 . 3.660 2.763 2.402 3.338 . 0 0 "[ . 1 . 2]" 1
476 1 24 ARG HA 1 24 ARG HG3 4.230 . 4.230 3.434 2.538 3.925 . 0 0 "[ . 1 . 2]" 1
477 1 24 ARG QB 1 25 GLY H 4.300 . 4.300 3.111 2.877 3.760 . 0 0 "[ . 1 . 2]" 1
478 1 24 ARG QB 1 61 ALA MB 4.330 . 4.330 3.644 2.921 4.292 . 0 0 "[ . 1 . 2]" 1
479 1 24 ARG HB2 1 24 ARG HE 4.170 . 4.170 3.224 2.007 4.200 0.030 8 0 "[ . 1 . 2]" 1
480 1 24 ARG HB2 1 61 ALA MB 5.030 . 5.030 4.389 3.527 5.045 0.015 14 0 "[ . 1 . 2]" 1
481 1 24 ARG HB3 1 24 ARG HE 4.170 . 4.170 2.974 1.895 3.998 . 0 0 "[ . 1 . 2]" 1
482 1 24 ARG HB3 1 61 ALA MB 5.030 . 5.030 3.960 2.986 5.033 0.003 5 0 "[ . 1 . 2]" 1
483 1 24 ARG HE 1 24 ARG HG2 4.150 . 4.150 3.379 2.199 3.981 . 0 0 "[ . 1 . 2]" 1
484 1 24 ARG HE 1 24 ARG QG 3.640 . 3.640 2.540 2.177 3.303 . 0 0 "[ . 1 . 2]" 1
485 1 24 ARG HE 1 24 ARG HG3 4.150 . 4.150 2.877 2.293 3.943 . 0 0 "[ . 1 . 2]" 1
486 1 25 GLY H 1 26 PHE H 4.470 . 4.470 4.367 2.824 4.513 0.043 5 0 "[ . 1 . 2]" 1
487 1 25 GLY H 1 26 PHE HB3 4.950 . 4.950 4.935 4.706 4.976 0.026 13 0 "[ . 1 . 2]" 1
488 1 25 GLY H 1 61 ALA MB 5.070 . 5.070 4.535 4.261 4.741 . 0 0 "[ . 1 . 2]" 1
489 1 25 GLY QA 1 26 PHE QD 4.570 . 4.570 3.128 2.870 3.849 . 0 0 "[ . 1 . 2]" 1
490 1 25 GLY QA 1 61 ALA MB 4.100 . 4.100 2.959 2.319 3.416 . 0 0 "[ . 1 . 2]" 1
491 1 25 GLY HA2 1 26 PHE H 3.440 . 3.440 2.505 2.322 3.279 . 0 0 "[ . 1 . 2]" 1
492 1 25 GLY HA3 1 26 PHE H 3.440 . 3.440 2.719 2.509 3.440 . 0 0 "[ . 1 . 2]" 1
493 1 26 PHE H 1 26 PHE QD 3.910 . 3.910 3.103 2.814 3.320 . 0 0 "[ . 1 . 2]" 1
494 1 26 PHE H 1 27 TYR H 4.490 . 4.490 4.386 4.315 4.458 . 0 0 "[ . 1 . 2]" 1
495 1 26 PHE H 1 61 ALA H 5.150 . 5.150 4.285 4.020 4.783 . 0 0 "[ . 1 . 2]" 1
496 1 26 PHE H 1 61 ALA MB 4.350 . 4.350 3.517 3.182 4.009 . 0 0 "[ . 1 . 2]" 1
497 1 26 PHE HA 1 26 PHE QD 4.200 . 4.200 3.761 3.750 3.770 . 0 0 "[ . 1 . 2]" 1
498 1 26 PHE HA 1 27 TYR QD 4.660 . 4.660 3.822 3.007 4.462 . 0 0 "[ . 1 . 2]" 1
499 1 26 PHE HA 1 61 ALA H 3.910 . 3.910 2.362 2.194 2.626 . 0 0 "[ . 1 . 2]" 1
500 1 26 PHE HA 1 61 ALA MB 3.530 . 3.530 2.836 2.572 2.963 . 0 0 "[ . 1 . 2]" 1
501 1 26 PHE HB2 1 27 TYR H 4.000 . 4.000 2.431 2.286 2.573 . 0 0 "[ . 1 . 2]" 1
502 1 26 PHE HB2 1 60 CYS HA 4.930 . 4.930 3.027 2.709 3.669 . 0 0 "[ . 1 . 2]" 1
503 1 26 PHE HB2 1 61 ALA H 4.530 . 4.530 4.409 4.166 4.536 0.006 1 0 "[ . 1 . 2]" 1
504 1 26 PHE HB2 1 61 ALA MB 4.990 . 4.990 4.949 4.678 5.052 0.062 19 0 "[ . 1 . 2]" 1
505 1 26 PHE HB3 1 27 TYR H 4.050 . 4.050 3.801 3.630 3.933 . 0 0 "[ . 1 . 2]" 1
506 1 26 PHE HB3 1 56 LEU MD2 5.500 . 5.500 5.343 4.984 5.527 0.027 11 0 "[ . 1 . 2]" 1
507 1 26 PHE HB3 1 61 ALA H 5.050 . 5.050 3.761 3.355 4.066 . 0 0 "[ . 1 . 2]" 1
508 1 26 PHE HB3 1 61 ALA MB 5.500 . 5.500 4.643 4.354 4.832 . 0 0 "[ . 1 . 2]" 1
509 1 26 PHE QD 1 27 TYR H 4.270 . 4.270 3.159 2.877 3.417 . 0 0 "[ . 1 . 2]" 1
510 1 26 PHE QD 1 27 TYR HA 4.660 . 4.660 3.417 2.883 3.791 . 0 0 "[ . 1 . 2]" 1
511 1 26 PHE QD 1 42 ILE MG 5.500 . 5.500 4.576 3.987 5.475 . 0 0 "[ . 1 . 2]" 1
512 1 26 PHE QD 1 61 ALA MB 5.500 . 5.500 5.145 5.013 5.337 . 0 0 "[ . 1 . 2]" 1
513 1 27 TYR H 1 27 TYR QB 3.640 . 3.640 2.708 2.348 3.338 . 0 0 "[ . 1 . 2]" 1
514 1 27 TYR H 1 27 TYR QD 4.120 . 4.120 3.100 2.613 3.605 . 0 0 "[ . 1 . 2]" 1
515 1 27 TYR H 1 61 ALA H 4.900 . 4.900 4.500 4.345 4.727 . 0 0 "[ . 1 . 2]" 1
516 1 27 TYR H 1 61 ALA MB 4.280 . 4.280 4.240 3.944 4.340 0.060 9 0 "[ . 1 . 2]" 1
517 1 27 TYR HA 1 27 TYR QD 3.810 . 3.810 2.897 2.224 3.777 . 0 0 "[ . 1 . 2]" 1
518 1 27 TYR HA 1 28 PHE H 3.440 . 3.440 2.278 2.199 2.406 . 0 0 "[ . 1 . 2]" 1
519 1 27 TYR HB2 1 28 PHE H 4.110 . 4.110 3.586 2.491 4.064 . 0 0 "[ . 1 . 2]" 1
520 1 27 TYR HB3 1 28 PHE H 4.110 . 4.110 3.032 2.523 3.882 . 0 0 "[ . 1 . 2]" 1
521 1 27 TYR QD 1 28 PHE H 4.180 . 4.180 3.734 3.246 4.205 0.025 6 0 "[ . 1 . 2]" 1
522 1 27 TYR QD 1 61 ALA HA 3.960 . 3.960 3.250 2.091 3.973 0.013 20 0 "[ . 1 . 2]" 1
523 1 27 TYR QD 1 61 ALA MB 3.720 . 3.720 3.278 2.196 3.833 0.113 1 0 "[ . 1 . 2]" 1
524 1 27 TYR QE 1 61 ALA HA 3.480 . 3.480 2.496 2.087 3.058 . 0 0 "[ . 1 . 2]" 1
525 1 27 TYR QE 1 61 ALA MB 3.360 . 3.360 2.838 2.224 3.488 0.128 15 0 "[ . 1 . 2]" 1
526 1 27 TYR QE 1 62 THR H 4.830 . 4.830 3.458 2.589 4.664 . 0 0 "[ . 1 . 2]" 1
527 1 28 PHE H 1 28 PHE HB2 3.960 . 3.960 2.639 2.173 3.977 0.017 18 0 "[ . 1 . 2]" 1
528 1 28 PHE H 1 28 PHE QB 3.410 . 3.410 2.442 2.144 3.140 . 0 0 "[ . 1 . 2]" 1
529 1 28 PHE H 1 28 PHE HB3 3.960 . 3.960 3.128 2.773 3.563 . 0 0 "[ . 1 . 2]" 1
530 1 28 PHE H 1 28 PHE QD 4.490 . 4.490 3.790 2.515 4.462 . 0 0 "[ . 1 . 2]" 1
531 1 28 PHE HA 1 28 PHE QD 4.320 . 4.320 2.955 2.639 3.738 . 0 0 "[ . 1 . 2]" 1
532 1 28 PHE HA 1 42 ILE MD 5.350 . 5.350 5.334 5.152 5.445 0.095 2 0 "[ . 1 . 2]" 1
533 1 28 PHE HA 1 42 ILE MG 3.450 . 3.450 2.393 2.083 3.537 0.087 18 0 "[ . 1 . 2]" 1
534 1 28 PHE QB 1 29 SER H 3.770 . 3.770 3.038 2.549 3.595 . 0 0 "[ . 1 . 2]" 1
535 1 28 PHE QB 1 42 ILE MG 3.840 . 3.840 3.461 1.874 3.810 . 0 0 "[ . 1 . 2]" 1
536 1 28 PHE HB2 1 29 SER H 4.290 . 4.290 4.023 2.596 4.323 0.033 4 0 "[ . 1 . 2]" 1
537 1 28 PHE HB3 1 29 SER H 4.290 . 4.290 3.216 2.582 3.977 . 0 0 "[ . 1 . 2]" 1
538 1 28 PHE QD 1 29 SER H 4.670 . 4.670 3.029 2.074 4.418 . 0 0 "[ . 1 . 2]" 1
539 1 28 PHE QD 1 42 ILE HG12 4.980 . 4.980 4.746 4.305 5.035 0.055 6 0 "[ . 1 . 2]" 1
540 1 28 PHE QD 1 42 ILE MG 3.340 . 3.340 2.739 2.293 2.987 . 0 0 "[ . 1 . 2]" 1
541 1 28 PHE QD 1 43 VAL HB 5.500 . 5.500 4.743 3.172 5.556 0.056 19 0 "[ . 1 . 2]" 1
542 1 28 PHE QD 1 43 VAL QG 4.180 . 4.180 3.594 2.381 4.413 0.233 12 0 "[ . 1 . 2]" 1
543 1 28 PHE QE 1 43 VAL MG1 5.110 . 5.110 4.071 3.211 5.121 0.011 18 0 "[ . 1 . 2]" 1
544 1 28 PHE QE 1 43 VAL QG 4.300 . 4.300 2.814 2.117 4.395 0.095 18 0 "[ . 1 . 2]" 1
545 1 28 PHE QE 1 43 VAL MG2 5.110 . 5.110 3.012 2.123 4.785 . 0 0 "[ . 1 . 2]" 1
546 1 29 SER H 1 29 SER HB2 3.760 . 3.760 3.010 2.226 3.590 . 0 0 "[ . 1 . 2]" 1
547 1 29 SER H 1 29 SER HB3 3.760 . 3.760 3.002 2.415 3.680 . 0 0 "[ . 1 . 2]" 1
548 1 29 SER H 1 30 ARG H 4.580 . 4.580 3.982 2.573 4.641 0.061 2 0 "[ . 1 . 2]" 1
549 1 29 SER HA 1 30 ARG QG 5.500 . 5.500 4.871 3.471 5.591 0.091 7 0 "[ . 1 . 2]" 1
550 1 30 ARG H 1 30 ARG HB2 3.940 . 3.940 3.170 2.057 4.004 0.064 16 0 "[ . 1 . 2]" 1
551 1 30 ARG H 1 30 ARG HB3 3.940 . 3.940 3.138 2.168 3.916 . 0 0 "[ . 1 . 2]" 1
552 1 30 ARG H 1 30 ARG QG 4.160 . 4.160 3.278 1.943 4.193 0.033 9 0 "[ . 1 . 2]" 1
553 1 30 ARG HA 1 30 ARG HD2 4.660 . 4.660 3.945 2.806 4.689 0.029 10 0 "[ . 1 . 2]" 1
554 1 30 ARG HA 1 30 ARG QD 4.000 . 4.000 3.247 2.231 3.876 . 0 0 "[ . 1 . 2]" 1
555 1 30 ARG HA 1 30 ARG HD3 4.660 . 4.660 3.599 2.264 4.592 . 0 0 "[ . 1 . 2]" 1
556 1 30 ARG HA 1 30 ARG QG 3.680 . 3.680 2.909 1.951 3.554 . 0 0 "[ . 1 . 2]" 1
557 1 30 ARG HA 1 31 PRO QD 3.280 . 3.280 2.590 2.114 3.582 0.302 17 0 "[ . 1 . 2]" 1
558 1 30 ARG QB 1 30 ARG QD 3.110 . 3.110 2.203 2.044 2.460 . 0 0 "[ . 1 . 2]" 1
559 1 30 ARG QB 1 31 PRO QD 3.450 . 3.450 2.573 2.045 3.544 0.094 3 0 "[ . 1 . 2]" 1
560 1 30 ARG HD2 1 31 PRO HA 5.500 . 5.500 4.767 4.009 5.545 0.045 16 0 "[ . 1 . 2]" 1
561 1 30 ARG HD3 1 31 PRO HA 5.500 . 5.500 4.937 4.217 5.523 0.023 13 0 "[ . 1 . 2]" 1
562 1 30 ARG QG 1 31 PRO HA 5.500 . 5.500 5.176 3.137 5.562 0.062 1 0 "[ . 1 . 2]" 1
563 1 30 ARG QG 1 31 PRO QD 4.110 . 4.110 3.531 2.358 4.172 0.062 11 0 "[ . 1 . 2]" 1
564 1 31 PRO HA 1 32 ALA H 2.790 . 2.790 2.323 2.156 2.635 . 0 0 "[ . 1 . 2]" 1
565 1 31 PRO HA 1 32 ALA MB 5.010 . 5.010 4.004 3.864 4.439 . 0 0 "[ . 1 . 2]" 1
566 1 31 PRO QB 1 32 ALA H 3.350 . 3.350 2.826 2.030 3.267 . 0 0 "[ . 1 . 2]" 1
567 1 31 PRO HB2 1 32 ALA H 3.980 . 3.980 2.936 2.049 3.471 . 0 0 "[ . 1 . 2]" 1
568 1 31 PRO HB3 1 32 ALA H 3.980 . 3.980 3.728 3.320 3.984 0.004 14 0 "[ . 1 . 2]" 1
569 1 32 ALA HA 1 33 SER H 3.220 . 3.220 2.704 2.199 3.284 0.064 5 0 "[ . 1 . 2]" 1
570 1 32 ALA MB 1 33 SER H 3.730 . 3.730 2.903 1.797 3.740 0.010 2 0 "[ . 1 . 2]" 1
571 1 32 ALA MB 1 33 SER HA 4.520 . 4.520 4.213 3.830 4.434 . 0 0 "[ . 1 . 2]" 1
572 1 33 SER H 1 33 SER HB2 3.770 . 3.770 3.071 2.295 3.723 . 0 0 "[ . 1 . 2]" 1
573 1 33 SER H 1 33 SER HB3 3.770 . 3.770 3.364 2.711 3.837 0.067 5 0 "[ . 1 . 2]" 1
574 1 33 SER HA 1 34 ARG H 3.350 . 3.350 2.491 2.098 3.412 0.062 12 0 "[ . 1 . 2]" 1
575 1 33 SER HA 1 35 VAL H 4.540 . 4.540 3.980 3.024 4.419 . 0 0 "[ . 1 . 2]" 1
576 1 33 SER QB 1 34 ARG H 3.420 . 3.420 2.682 1.722 3.370 . 0 0 "[ . 1 . 2]" 1
577 1 33 SER QB 1 35 VAL H 3.880 . 3.880 2.727 2.049 3.897 0.017 14 0 "[ . 1 . 2]" 1
578 1 33 SER QB 1 35 VAL MG1 4.730 . 4.730 4.448 3.646 4.863 0.133 8 0 "[ . 1 . 2]" 1
579 1 33 SER QB 1 35 VAL MG2 4.200 . 4.200 2.943 2.060 4.318 0.118 12 0 "[ . 1 . 2]" 1
580 1 33 SER HB2 1 34 ARG H 4.130 . 4.130 3.254 1.769 4.141 0.011 6 0 "[ . 1 . 2]" 1
581 1 33 SER HB2 1 35 VAL H 4.440 . 4.440 3.255 2.063 4.443 0.003 14 0 "[ . 1 . 2]" 1
582 1 33 SER HB3 1 34 ARG H 4.130 . 4.130 3.139 2.160 4.210 0.080 8 0 "[ . 1 . 2]" 1
583 1 33 SER HB3 1 35 VAL H 4.440 . 4.440 3.369 2.635 4.491 0.051 12 0 "[ . 1 . 2]" 1
584 1 34 ARG H 1 34 ARG HB2 3.760 . 3.760 2.357 2.044 3.081 . 0 0 "[ . 1 . 2]" 1
585 1 34 ARG H 1 34 ARG HB3 3.760 . 3.760 3.376 2.709 3.785 0.025 8 0 "[ . 1 . 2]" 1
586 1 34 ARG H 1 34 ARG QG 3.900 . 3.900 3.282 2.373 4.024 0.124 17 0 "[ . 1 . 2]" 1
587 1 34 ARG H 1 35 VAL H 3.580 . 3.580 2.591 2.169 3.283 . 0 0 "[ . 1 . 2]" 1
588 1 34 ARG HA 1 34 ARG QD 3.790 . 3.790 3.108 2.188 3.871 0.081 20 0 "[ . 1 . 2]" 1
589 1 34 ARG HA 1 34 ARG QG 3.480 . 3.480 2.369 2.077 2.824 . 0 0 "[ . 1 . 2]" 1
590 1 34 ARG QB 1 34 ARG QD 3.160 . 3.160 2.193 2.075 2.301 . 0 0 "[ . 1 . 2]" 1
591 1 34 ARG QB 1 35 VAL MG1 4.000 . 4.000 3.000 2.487 3.892 . 0 0 "[ . 1 . 2]" 1
592 1 34 ARG QB 1 35 VAL MG2 4.520 . 4.520 3.823 3.228 4.602 0.082 20 0 "[ . 1 . 2]" 1
593 1 34 ARG HB2 1 34 ARG QD 3.620 . 3.620 2.840 2.219 3.343 . 0 0 "[ . 1 . 2]" 1
594 1 34 ARG HB2 1 35 VAL H 3.970 . 3.970 3.398 2.867 3.985 0.015 7 0 "[ . 1 . 2]" 1
595 1 34 ARG HB2 1 35 VAL MG1 4.810 . 4.810 3.712 2.726 4.822 0.012 14 0 "[ . 1 . 2]" 1
596 1 34 ARG HB3 1 34 ARG QD 3.620 . 3.620 2.529 2.157 3.340 . 0 0 "[ . 1 . 2]" 1
597 1 34 ARG HB3 1 35 VAL H 3.970 . 3.970 3.545 2.947 3.978 0.008 18 0 "[ . 1 . 2]" 1
598 1 34 ARG HB3 1 35 VAL MG1 4.810 . 4.810 3.370 2.752 4.511 . 0 0 "[ . 1 . 2]" 1
599 1 34 ARG QG 1 35 VAL H 4.620 . 4.620 4.484 4.234 4.692 0.072 13 0 "[ . 1 . 2]" 1
600 1 34 ARG QG 1 35 VAL MG1 5.430 . 5.430 4.564 3.587 5.480 0.050 12 0 "[ . 1 . 2]" 1
601 1 35 VAL H 1 35 VAL HB 3.790 . 3.790 3.733 3.633 3.821 0.031 8 0 "[ . 1 . 2]" 1
602 1 35 VAL H 1 35 VAL MG1 3.100 . 3.100 2.712 2.274 3.009 . 0 0 "[ . 1 . 2]" 1
603 1 35 VAL H 1 35 VAL MG2 3.140 . 3.140 2.070 1.872 2.227 . 0 0 "[ . 1 . 2]" 1
604 1 35 VAL HA 1 35 VAL MG1 3.240 . 3.240 2.343 2.282 2.427 . 0 0 "[ . 1 . 2]" 1
605 1 35 VAL HA 1 35 VAL MG2 3.350 . 3.350 3.262 3.228 3.293 . 0 0 "[ . 1 . 2]" 1
606 1 35 VAL HA 1 36 SER H 3.010 . 3.010 2.383 2.143 2.876 . 0 0 "[ . 1 . 2]" 1
607 1 35 VAL HB 1 36 SER H 3.690 . 3.690 2.558 1.894 3.165 . 0 0 "[ . 1 . 2]" 1
608 1 35 VAL MG1 1 36 SER H 4.190 . 4.190 3.708 3.582 3.881 . 0 0 "[ . 1 . 2]" 1
609 1 35 VAL MG1 1 37 ARG QG 5.500 . 5.500 4.635 3.701 5.500 . 0 0 "[ . 1 . 2]" 1
610 1 35 VAL MG2 1 36 SER H 4.020 . 4.020 3.556 2.683 4.042 0.022 11 0 "[ . 1 . 2]" 1
611 1 35 VAL MG2 1 36 SER HA 4.480 . 4.480 4.289 3.797 4.516 0.036 2 0 "[ . 1 . 2]" 1
612 1 35 VAL MG2 1 36 SER QB 5.260 . 5.260 4.793 3.301 5.281 0.021 4 0 "[ . 1 . 2]" 1
613 1 35 VAL MG2 1 37 ARG QD 4.550 . 4.550 3.885 2.493 4.838 0.288 20 0 "[ . 1 . 2]" 1
614 1 35 VAL MG2 1 37 ARG QG 4.000 . 4.000 2.868 2.017 4.418 0.418 10 0 "[ . 1 . 2]" 1
615 1 36 SER H 1 36 SER HB2 3.940 . 3.940 2.976 2.471 3.950 0.010 10 0 "[ . 1 . 2]" 1
616 1 36 SER H 1 36 SER QB 3.130 . 3.130 2.611 2.340 2.852 . 0 0 "[ . 1 . 2]" 1
617 1 36 SER H 1 36 SER HB3 3.940 . 3.940 3.272 2.462 3.832 . 0 0 "[ . 1 . 2]" 1
618 1 36 SER H 1 37 ARG H 4.500 . 4.500 3.723 2.375 4.505 0.005 13 0 "[ . 1 . 2]" 1
619 1 36 SER H 1 37 ARG QG 4.480 . 4.480 4.210 3.728 4.552 0.072 12 0 "[ . 1 . 2]" 1
620 1 36 SER HA 1 37 ARG H 3.120 . 3.120 2.660 2.177 3.150 0.030 17 0 "[ . 1 . 2]" 1
621 1 36 SER QB 1 37 ARG H 4.290 . 4.290 3.415 1.804 4.054 . 0 0 "[ . 1 . 2]" 1
622 1 36 SER QB 1 38 ARG H 4.310 . 4.310 3.895 3.070 4.354 0.044 19 0 "[ . 1 . 2]" 1
623 1 37 ARG H 1 37 ARG HB2 4.030 . 4.030 2.860 2.322 3.920 . 0 0 "[ . 1 . 2]" 1
624 1 37 ARG H 1 37 ARG QB 3.270 . 3.270 2.719 2.295 3.407 0.137 20 0 "[ . 1 . 2]" 1
625 1 37 ARG H 1 37 ARG HB3 4.030 . 4.030 3.746 2.898 4.048 0.018 17 0 "[ . 1 . 2]" 1
626 1 37 ARG H 1 37 ARG QD 4.940 . 4.940 3.809 2.428 5.055 0.115 19 0 "[ . 1 . 2]" 1
627 1 37 ARG H 1 37 ARG QG 3.570 . 3.570 2.850 2.327 3.481 . 0 0 "[ . 1 . 2]" 1
628 1 37 ARG H 1 38 ARG H 3.610 . 3.610 2.886 2.149 3.609 . 0 0 "[ . 1 . 2]" 1
629 1 37 ARG HA 1 37 ARG QD 4.210 . 4.210 2.952 2.027 4.245 0.035 19 0 "[ . 1 . 2]" 1
630 1 37 ARG HA 1 37 ARG QG 3.300 . 3.300 2.758 2.252 3.352 0.052 19 0 "[ . 1 . 2]" 1
631 1 37 ARG QB 1 37 ARG QD 3.420 . 3.420 2.356 2.064 2.870 . 0 0 "[ . 1 . 2]" 1
632 1 37 ARG QD 1 38 ARG H 5.500 . 5.500 4.938 4.274 5.545 0.045 19 0 "[ . 1 . 2]" 1
633 1 38 ARG H 1 38 ARG HB2 3.910 . 3.910 2.921 2.249 3.927 0.017 13 0 "[ . 1 . 2]" 1
634 1 38 ARG H 1 38 ARG QB 3.080 . 3.080 2.580 2.226 2.828 . 0 0 "[ . 1 . 2]" 1
635 1 38 ARG H 1 38 ARG HB3 3.910 . 3.910 3.420 2.524 3.913 0.003 4 0 "[ . 1 . 2]" 1
636 1 38 ARG H 1 38 ARG QD 5.500 . 5.500 4.239 2.161 5.213 . 0 0 "[ . 1 . 2]" 1
637 1 38 ARG H 1 38 ARG QG 3.560 . 3.560 2.776 1.971 3.666 0.106 9 0 "[ . 1 . 2]" 1
638 1 38 ARG HA 1 38 ARG QD 4.270 . 4.270 3.901 2.258 4.307 0.037 18 0 "[ . 1 . 2]" 1
639 1 38 ARG HA 1 38 ARG QG 3.400 . 3.400 2.682 2.145 3.428 0.028 7 0 "[ . 1 . 2]" 1
640 1 38 ARG HA 1 39 SER H 2.960 . 2.960 2.345 2.106 2.666 . 0 0 "[ . 1 . 2]" 1
641 1 38 ARG QB 1 38 ARG QD 2.890 . 2.890 2.118 1.999 2.304 . 0 0 "[ . 1 . 2]" 1
642 1 38 ARG QB 1 39 SER H 4.180 . 4.180 3.035 2.149 4.011 . 0 0 "[ . 1 . 2]" 1
643 1 38 ARG HB2 1 38 ARG QD 3.540 . 3.540 2.573 2.110 3.284 . 0 0 "[ . 1 . 2]" 1
644 1 38 ARG HB2 1 39 SER H 4.750 . 4.750 3.845 2.657 4.631 . 0 0 "[ . 1 . 2]" 1
645 1 38 ARG HB3 1 38 ARG QD 3.540 . 3.540 2.326 2.085 2.841 . 0 0 "[ . 1 . 2]" 1
646 1 38 ARG HB3 1 39 SER H 4.750 . 4.750 3.413 2.172 4.627 . 0 0 "[ . 1 . 2]" 1
647 1 38 ARG QD 1 39 SER H 5.500 . 5.500 4.810 3.301 5.626 0.126 13 0 "[ . 1 . 2]" 1
648 1 38 ARG QG 1 39 SER H 4.460 . 4.460 4.027 3.605 4.379 . 0 0 "[ . 1 . 2]" 1
649 1 39 SER H 1 39 SER QB 3.390 . 3.390 2.752 2.181 3.362 . 0 0 "[ . 1 . 2]" 1
650 1 39 SER HA 1 40 ARG H 3.130 . 3.130 2.419 2.093 2.977 . 0 0 "[ . 1 . 2]" 1
651 1 39 SER QB 1 40 ARG H 3.650 . 3.650 2.962 2.132 3.826 0.176 6 0 "[ . 1 . 2]" 1
652 1 40 ARG H 1 40 ARG HB2 3.810 . 3.810 3.288 2.184 3.859 0.049 15 0 "[ . 1 . 2]" 1
653 1 40 ARG H 1 40 ARG QB 3.170 . 3.170 2.573 2.110 3.185 0.015 15 0 "[ . 1 . 2]" 1
654 1 40 ARG H 1 40 ARG HB3 3.810 . 3.810 2.766 2.355 3.696 . 0 0 "[ . 1 . 2]" 1
655 1 40 ARG H 1 40 ARG QD 4.790 . 4.790 4.275 2.065 4.858 0.068 12 0 "[ . 1 . 2]" 1
656 1 40 ARG H 1 40 ARG QG 4.130 . 4.130 3.210 2.104 4.151 0.021 12 0 "[ . 1 . 2]" 1
657 1 40 ARG QB 1 40 ARG HE 3.990 . 3.990 3.008 2.088 4.018 0.028 8 0 "[ . 1 . 2]" 1
658 1 40 ARG QB 1 41 GLY H 3.540 . 3.540 2.830 1.896 3.648 0.108 12 0 "[ . 1 . 2]" 1
659 1 40 ARG HB2 1 40 ARG QD 3.710 . 3.710 2.586 2.198 3.541 . 0 0 "[ . 1 . 2]" 1
660 1 40 ARG HB2 1 40 ARG HE 4.610 . 4.610 3.508 2.159 4.610 . 0 0 "[ . 1 . 2]" 1
661 1 40 ARG HB2 1 41 GLY H 4.250 . 4.250 3.194 1.905 4.217 . 0 0 "[ . 1 . 2]" 1
662 1 40 ARG HB3 1 40 ARG QD 3.710 . 3.710 2.881 2.167 3.540 . 0 0 "[ . 1 . 2]" 1
663 1 40 ARG HB3 1 40 ARG HE 4.610 . 4.610 3.571 2.109 4.622 0.012 20 0 "[ . 1 . 2]" 1
664 1 40 ARG HB3 1 41 GLY H 4.250 . 4.250 3.719 2.589 4.108 . 0 0 "[ . 1 . 2]" 1
665 1 40 ARG QD 1 41 GLY H 4.530 . 4.530 3.902 2.580 4.622 0.092 8 0 "[ . 1 . 2]" 1
666 1 40 ARG QD 1 41 GLY QA 4.970 . 4.970 4.287 2.719 4.820 . 0 0 "[ . 1 . 2]" 1
667 1 40 ARG QG 1 41 GLY H 4.230 . 4.230 3.139 2.246 3.858 . 0 0 "[ . 1 . 2]" 1
668 1 40 ARG QG 1 41 GLY QA 4.210 . 4.210 3.439 2.898 4.027 . 0 0 "[ . 1 . 2]" 1
669 1 41 GLY H 1 42 ILE H 4.530 . 4.530 4.379 3.961 4.570 0.040 6 0 "[ . 1 . 2]" 1
670 1 41 GLY H 1 44 GLU HB2 4.710 . 4.710 2.953 2.184 4.536 . 0 0 "[ . 1 . 2]" 1
671 1 41 GLY H 1 44 GLU QB 4.080 . 4.080 2.754 2.155 3.978 . 0 0 "[ . 1 . 2]" 1
672 1 41 GLY H 1 44 GLU HB3 4.710 . 4.710 3.472 2.334 4.401 . 0 0 "[ . 1 . 2]" 1
673 1 41 GLY QA 1 42 ILE MG 4.320 . 4.320 3.669 3.460 3.862 . 0 0 "[ . 1 . 2]" 1
674 1 41 GLY QA 1 59 TYR QE 4.800 . 4.800 2.821 2.179 3.552 . 0 0 "[ . 1 . 2]" 1
675 1 42 ILE H 1 42 ILE HB 3.840 . 3.840 2.476 2.359 2.610 . 0 0 "[ . 1 . 2]" 1
676 1 42 ILE H 1 42 ILE MD 4.350 . 4.350 4.113 3.957 4.320 . 0 0 "[ . 1 . 2]" 1
677 1 42 ILE H 1 42 ILE HG12 4.710 . 4.710 4.644 4.571 4.715 0.005 11 0 "[ . 1 . 2]" 1
678 1 42 ILE H 1 42 ILE HG13 4.880 . 4.880 4.476 4.365 4.518 . 0 0 "[ . 1 . 2]" 1
679 1 42 ILE H 1 42 ILE MG 3.160 . 3.160 2.141 1.960 2.272 . 0 0 "[ . 1 . 2]" 1
680 1 42 ILE H 1 43 VAL H 3.640 . 3.640 2.830 2.565 3.029 . 0 0 "[ . 1 . 2]" 1
681 1 42 ILE H 1 43 VAL QG 4.390 . 4.390 4.154 3.788 4.395 0.005 20 0 "[ . 1 . 2]" 1
682 1 42 ILE H 1 59 TYR QE 4.220 . 4.220 2.928 2.641 3.362 . 0 0 "[ . 1 . 2]" 1
683 1 42 ILE HA 1 42 ILE MD 3.370 . 3.370 2.239 2.066 3.418 0.048 18 0 "[ . 1 . 2]" 1
684 1 42 ILE HA 1 42 ILE HG12 3.810 . 3.810 3.759 3.307 3.821 0.011 13 0 "[ . 1 . 2]" 1
685 1 42 ILE HA 1 42 ILE HG13 4.080 . 4.080 2.869 2.216 2.992 . 0 0 "[ . 1 . 2]" 1
686 1 42 ILE HA 1 42 ILE MG 3.670 . 3.670 3.271 3.237 3.287 . 0 0 "[ . 1 . 2]" 1
687 1 42 ILE HA 1 44 GLU QB 5.340 . 5.340 4.940 4.563 5.210 . 0 0 "[ . 1 . 2]" 1
688 1 42 ILE HA 1 45 GLU H 4.460 . 4.460 3.306 2.959 3.575 . 0 0 "[ . 1 . 2]" 1
689 1 42 ILE HA 1 45 GLU QB 4.140 . 4.140 3.181 2.336 4.158 0.018 1 0 "[ . 1 . 2]" 1
690 1 42 ILE HA 1 45 GLU QG 4.560 . 4.560 2.940 2.100 4.301 . 0 0 "[ . 1 . 2]" 1
691 1 42 ILE HA 1 55 LEU QD 4.660 . 4.660 4.417 3.974 4.753 0.093 3 0 "[ . 1 . 2]" 1
692 1 42 ILE HA 1 59 TYR QD 5.000 . 5.000 4.363 4.111 5.009 0.009 18 0 "[ . 1 . 2]" 1
693 1 42 ILE HB 1 43 VAL H 4.980 . 4.980 4.096 4.026 4.209 . 0 0 "[ . 1 . 2]" 1
694 1 42 ILE HB 1 59 TYR QE 4.740 . 4.740 3.399 3.041 3.676 . 0 0 "[ . 1 . 2]" 1
695 1 42 ILE MD 1 42 ILE MG 3.210 . 3.210 3.189 2.258 3.281 0.071 7 0 "[ . 1 . 2]" 1
696 1 42 ILE MD 1 45 GLU QB 4.580 . 4.580 3.490 2.532 4.554 . 0 0 "[ . 1 . 2]" 1
697 1 42 ILE MD 1 46 CYS QB 5.320 . 5.320 3.712 3.098 4.050 . 0 0 "[ . 1 . 2]" 1
698 1 42 ILE MD 1 51 CYS QB 5.340 . 5.340 3.970 3.674 4.486 . 0 0 "[ . 1 . 2]" 1
699 1 42 ILE MD 1 55 LEU QD 3.500 . 3.500 3.529 3.167 3.954 0.454 4 0 "[ . 1 . 2]" 1
700 1 42 ILE MD 1 55 LEU HG 4.370 . 4.370 3.660 3.113 4.202 . 0 0 "[ . 1 . 2]" 1
701 1 42 ILE MD 1 56 LEU H 4.990 . 4.990 4.584 4.169 4.988 . 0 0 "[ . 1 . 2]" 1
702 1 42 ILE MD 1 56 LEU HA 3.510 . 3.510 2.522 2.265 2.841 . 0 0 "[ . 1 . 2]" 1
703 1 42 ILE MD 1 56 LEU HB2 4.290 . 4.290 3.688 3.438 4.014 . 0 0 "[ . 1 . 2]" 1
704 1 42 ILE MD 1 56 LEU HB3 4.540 . 4.540 4.411 4.308 4.570 0.030 7 0 "[ . 1 . 2]" 1
705 1 42 ILE MD 1 56 LEU MD1 3.140 . 3.140 2.838 2.649 3.123 . 0 0 "[ . 1 . 2]" 1
706 1 42 ILE MD 1 56 LEU MD2 3.290 . 3.290 3.344 3.032 3.598 0.308 2 0 "[ . 1 . 2]" 1
707 1 42 ILE MD 1 56 LEU HG 3.280 . 3.280 2.068 1.946 2.246 . 0 0 "[ . 1 . 2]" 1
708 1 42 ILE MD 1 59 TYR H 5.290 . 5.290 4.110 3.966 4.337 . 0 0 "[ . 1 . 2]" 1
709 1 42 ILE MD 1 59 TYR HA 5.050 . 5.050 4.924 4.782 5.051 0.001 5 0 "[ . 1 . 2]" 1
710 1 42 ILE MD 1 59 TYR HB2 4.070 . 4.070 2.668 2.496 2.922 . 0 0 "[ . 1 . 2]" 1
711 1 42 ILE MD 1 59 TYR QB 3.510 . 3.510 2.590 2.433 2.802 . 0 0 "[ . 1 . 2]" 1
712 1 42 ILE MD 1 59 TYR HB3 4.070 . 4.070 3.516 3.272 3.729 . 0 0 "[ . 1 . 2]" 1
713 1 42 ILE MD 1 59 TYR QD 3.580 . 3.580 2.538 2.374 2.783 . 0 0 "[ . 1 . 2]" 1
714 1 42 ILE MD 1 59 TYR QE 3.880 . 3.880 3.089 2.855 3.526 . 0 0 "[ . 1 . 2]" 1
715 1 42 ILE HG12 1 42 ILE MG 3.000 . 3.000 2.238 2.166 2.288 . 0 0 "[ . 1 . 2]" 1
716 1 42 ILE HG12 1 56 LEU HA 5.500 . 5.500 4.936 4.395 5.502 0.002 4 0 "[ . 1 . 2]" 1
717 1 42 ILE HG13 1 43 VAL H 4.810 . 4.810 4.112 3.926 4.679 . 0 0 "[ . 1 . 2]" 1
718 1 42 ILE HG13 1 46 CYS QB 4.560 . 4.560 3.208 2.829 3.804 . 0 0 "[ . 1 . 2]" 1
719 1 42 ILE MG 1 43 VAL H 3.250 . 3.250 2.330 2.240 2.480 . 0 0 "[ . 1 . 2]" 1
720 1 42 ILE MG 1 43 VAL HA 4.380 . 4.380 3.447 3.379 3.565 . 0 0 "[ . 1 . 2]" 1
721 1 42 ILE MG 1 43 VAL HB 4.120 . 4.120 3.695 3.158 4.156 0.036 15 0 "[ . 1 . 2]" 1
722 1 42 ILE MG 1 44 GLU H 4.510 . 4.510 4.444 4.289 4.531 0.021 13 0 "[ . 1 . 2]" 1
723 1 42 ILE MG 1 46 CYS QB 5.340 . 5.340 4.505 4.170 4.899 . 0 0 "[ . 1 . 2]" 1
724 1 42 ILE MG 1 59 TYR QB 5.180 . 5.180 3.952 3.701 4.258 . 0 0 "[ . 1 . 2]" 1
725 1 42 ILE MG 1 59 TYR QD 4.830 . 4.830 3.865 3.615 4.057 . 0 0 "[ . 1 . 2]" 1
726 1 42 ILE MG 1 59 TYR QE 4.250 . 4.250 4.091 3.608 4.284 0.034 3 0 "[ . 1 . 2]" 1
727 1 43 VAL H 1 43 VAL HB 3.370 . 3.370 2.496 2.403 2.584 . 0 0 "[ . 1 . 2]" 1
728 1 43 VAL H 1 43 VAL MG1 3.790 . 3.790 3.005 2.115 3.819 0.029 4 0 "[ . 1 . 2]" 1
729 1 43 VAL H 1 43 VAL QG 2.870 . 2.870 2.176 2.031 2.339 . 0 0 "[ . 1 . 2]" 1
730 1 43 VAL H 1 43 VAL MG2 3.790 . 3.790 2.977 2.039 3.807 0.017 8 0 "[ . 1 . 2]" 1
731 1 43 VAL H 1 44 GLU H 3.630 . 3.630 2.637 2.495 2.803 . 0 0 "[ . 1 . 2]" 1
732 1 43 VAL HA 1 43 VAL MG1 3.260 . 3.260 2.855 2.356 3.268 0.008 11 0 "[ . 1 . 2]" 1
733 1 43 VAL HA 1 43 VAL MG2 3.260 . 3.260 2.337 2.256 2.416 . 0 0 "[ . 1 . 2]" 1
734 1 43 VAL HA 1 46 CYS H 4.670 . 4.670 3.411 3.142 3.599 . 0 0 "[ . 1 . 2]" 1
735 1 43 VAL HA 1 47 CYS H 4.340 . 4.340 3.330 3.075 3.782 . 0 0 "[ . 1 . 2]" 1
736 1 43 VAL HB 1 44 GLU H 4.140 . 4.140 3.395 2.620 4.127 . 0 0 "[ . 1 . 2]" 1
737 1 43 VAL HB 1 48 PHE QE 5.500 . 5.500 4.580 3.710 5.529 0.029 16 0 "[ . 1 . 2]" 1
738 1 43 VAL QG 1 44 GLU H 3.410 . 3.410 2.829 2.271 3.355 . 0 0 "[ . 1 . 2]" 1
739 1 43 VAL QG 1 44 GLU HA 4.040 . 4.040 3.292 3.070 3.555 . 0 0 "[ . 1 . 2]" 1
740 1 43 VAL QG 1 44 GLU HG2 5.210 . 5.210 4.867 4.367 5.238 0.028 7 0 "[ . 1 . 2]" 1
741 1 43 VAL QG 1 44 GLU HG3 4.730 . 4.730 3.980 3.130 4.773 0.043 3 0 "[ . 1 . 2]" 1
742 1 43 VAL QG 1 45 GLU H 4.930 . 4.930 4.363 4.057 4.744 . 0 0 "[ . 1 . 2]" 1
743 1 43 VAL QG 1 46 CYS H 4.970 . 4.970 4.397 4.252 4.492 . 0 0 "[ . 1 . 2]" 1
744 1 43 VAL QG 1 46 CYS QB 5.280 . 5.280 4.345 4.110 4.789 . 0 0 "[ . 1 . 2]" 1
745 1 43 VAL QG 1 47 CYS H 3.840 . 3.840 3.666 3.572 3.922 0.082 15 0 "[ . 1 . 2]" 1
746 1 43 VAL QG 1 47 CYS HA 4.620 . 4.620 4.579 4.466 4.674 0.054 4 0 "[ . 1 . 2]" 1
747 1 43 VAL QG 1 47 CYS QB 3.200 . 3.200 2.183 2.088 2.389 . 0 0 "[ . 1 . 2]" 1
748 1 43 VAL QG 1 48 PHE H 4.080 . 4.080 3.663 3.393 3.974 . 0 0 "[ . 1 . 2]" 1
749 1 43 VAL QG 1 48 PHE HB2 4.610 . 4.610 4.504 4.357 4.647 0.037 2 0 "[ . 1 . 2]" 1
750 1 43 VAL QG 1 48 PHE HB3 5.440 . 5.440 5.514 5.265 5.689 0.249 2 0 "[ . 1 . 2]" 1
751 1 43 VAL QG 1 48 PHE QD 3.650 . 3.650 2.612 2.274 3.483 . 0 0 "[ . 1 . 2]" 1
752 1 43 VAL QG 1 48 PHE QE 3.430 . 3.430 2.350 2.153 2.689 . 0 0 "[ . 1 . 2]" 1
753 1 43 VAL QG 1 48 PHE HZ 4.560 . 4.560 4.063 2.907 4.434 . 0 0 "[ . 1 . 2]" 1
754 1 43 VAL MG1 1 44 GLU H 3.950 . 3.950 2.964 2.287 3.647 . 0 0 "[ . 1 . 2]" 1
755 1 43 VAL MG1 1 48 PHE QD 4.940 . 4.940 2.857 2.277 3.838 . 0 0 "[ . 1 . 2]" 1
756 1 43 VAL MG2 1 44 GLU H 3.950 . 3.950 3.927 3.800 4.031 0.081 2 0 "[ . 1 . 2]" 1
757 1 43 VAL MG2 1 48 PHE QD 4.940 . 4.940 4.066 2.800 5.064 0.124 17 0 "[ . 1 . 2]" 1
758 1 44 GLU H 1 44 GLU HB2 3.640 . 3.640 2.075 1.989 2.164 . 0 0 "[ . 1 . 2]" 1
759 1 44 GLU H 1 44 GLU QB 3.160 . 3.160 2.045 1.969 2.123 . 0 0 "[ . 1 . 2]" 1
760 1 44 GLU H 1 44 GLU HB3 3.640 . 3.640 3.122 2.870 3.344 . 0 0 "[ . 1 . 2]" 1
761 1 44 GLU H 1 44 GLU HG2 4.500 . 4.500 4.391 4.236 4.497 . 0 0 "[ . 1 . 2]" 1
762 1 44 GLU H 1 44 GLU HG3 3.910 . 3.910 3.753 3.234 3.972 0.062 16 0 "[ . 1 . 2]" 1
763 1 44 GLU H 1 45 GLU H 3.760 . 3.760 2.563 2.427 2.768 . 0 0 "[ . 1 . 2]" 1
764 1 44 GLU HA 1 44 GLU HG2 3.730 . 3.730 2.411 2.288 2.536 . 0 0 "[ . 1 . 2]" 1
765 1 44 GLU HA 1 44 GLU HG3 3.670 . 3.670 2.471 2.288 2.633 . 0 0 "[ . 1 . 2]" 1
766 1 44 GLU HA 1 48 PHE H 4.300 . 4.300 3.046 2.830 3.328 . 0 0 "[ . 1 . 2]" 1
767 1 44 GLU HA 1 48 PHE HB2 3.960 . 3.960 2.331 2.118 2.612 . 0 0 "[ . 1 . 2]" 1
768 1 44 GLU HA 1 48 PHE HB3 4.250 . 4.250 3.919 3.705 4.158 . 0 0 "[ . 1 . 2]" 1
769 1 44 GLU HA 1 48 PHE QD 3.700 . 3.700 2.009 1.896 2.487 . 0 0 "[ . 1 . 2]" 1
770 1 44 GLU HA 1 48 PHE QE 4.540 . 4.540 3.868 3.518 4.049 . 0 0 "[ . 1 . 2]" 1
771 1 44 GLU HA 1 49 ARG H 4.700 . 4.700 4.349 4.011 4.714 0.014 17 0 "[ . 1 . 2]" 1
772 1 44 GLU QB 1 48 PHE QD 4.860 . 4.860 4.047 3.629 4.340 . 0 0 "[ . 1 . 2]" 1
773 1 44 GLU HB2 1 45 GLU H 4.110 . 4.110 3.415 2.889 3.902 . 0 0 "[ . 1 . 2]" 1
774 1 44 GLU HB3 1 45 GLU H 4.110 . 4.110 3.033 2.730 3.336 . 0 0 "[ . 1 . 2]" 1
775 1 44 GLU HG2 1 45 GLU H 5.460 . 5.460 4.836 4.524 5.039 . 0 0 "[ . 1 . 2]" 1
776 1 44 GLU HG2 1 45 GLU HA 5.500 . 5.500 5.163 4.514 5.515 0.015 4 0 "[ . 1 . 2]" 1
777 1 44 GLU HG2 1 48 PHE QD 4.250 . 4.250 3.596 2.885 3.863 . 0 0 "[ . 1 . 2]" 1
778 1 44 GLU HG2 1 48 PHE QE 4.900 . 4.900 4.925 4.771 5.015 0.115 2 0 "[ . 1 . 2]" 1
779 1 44 GLU HG2 1 49 ARG H 5.500 . 5.500 5.521 5.477 5.545 0.045 1 0 "[ . 1 . 2]" 1
780 1 44 GLU HG3 1 45 GLU H 5.500 . 5.500 5.118 4.842 5.284 . 0 0 "[ . 1 . 2]" 1
781 1 44 GLU HG3 1 48 PHE QD 4.190 . 4.190 3.349 2.278 3.967 . 0 0 "[ . 1 . 2]" 1
782 1 44 GLU HG3 1 48 PHE QE 4.680 . 4.680 4.006 3.495 4.252 . 0 0 "[ . 1 . 2]" 1
783 1 45 GLU H 1 45 GLU QB 3.610 . 3.610 2.510 2.220 2.809 . 0 0 "[ . 1 . 2]" 1
784 1 45 GLU H 1 45 GLU HG2 4.490 . 4.490 2.623 1.765 4.106 . 0 0 "[ . 1 . 2]" 1
785 1 45 GLU H 1 45 GLU QG 3.680 . 3.680 2.283 1.756 2.860 . 0 0 "[ . 1 . 2]" 1
786 1 45 GLU H 1 45 GLU HG3 4.490 . 4.490 3.254 2.377 3.962 . 0 0 "[ . 1 . 2]" 1
787 1 45 GLU H 1 46 CYS H 3.930 . 3.930 2.477 2.221 2.683 . 0 0 "[ . 1 . 2]" 1
788 1 45 GLU H 1 47 CYS H 4.990 . 4.990 4.029 3.805 4.241 . 0 0 "[ . 1 . 2]" 1
789 1 45 GLU HA 1 45 GLU HG2 3.940 . 3.940 3.116 2.219 3.682 . 0 0 "[ . 1 . 2]" 1
790 1 45 GLU HA 1 45 GLU HG3 3.940 . 3.940 3.569 2.296 3.939 . 0 0 "[ . 1 . 2]" 1
791 1 45 GLU QB 1 55 LEU QD 2.890 . 2.890 2.118 1.985 2.546 . 0 0 "[ . 1 . 2]" 1
792 1 45 GLU HB2 1 46 CYS H 4.560 . 4.560 3.212 2.492 4.103 . 0 0 "[ . 1 . 2]" 1
793 1 45 GLU HB2 1 55 LEU QD 3.370 . 3.370 2.844 2.124 3.323 . 0 0 "[ . 1 . 2]" 1
794 1 45 GLU HB3 1 46 CYS H 4.560 . 4.560 3.936 3.513 4.225 . 0 0 "[ . 1 . 2]" 1
795 1 45 GLU HB3 1 55 LEU QD 3.370 . 3.370 2.431 2.005 3.435 0.065 3 0 "[ . 1 . 2]" 1
796 1 45 GLU QG 1 55 LEU QD 3.330 . 3.330 2.747 2.177 3.497 0.167 16 0 "[ . 1 . 2]" 1
797 1 45 GLU HG2 1 55 LEU QD 4.010 . 4.010 3.643 2.360 3.979 . 0 0 "[ . 1 . 2]" 1
798 1 45 GLU HG3 1 55 LEU QD 4.010 . 4.010 2.995 2.197 3.952 . 0 0 "[ . 1 . 2]" 1
799 1 46 CYS CB 1 51 CYS SG 3.100 . 3.100 3.050 3.025 3.112 0.012 13 0 "[ . 1 . 2]" 1
800 1 46 CYS H 1 46 CYS HB2 4.080 . 4.080 2.484 2.400 2.779 . 0 0 "[ . 1 . 2]" 1
801 1 46 CYS H 1 46 CYS HB3 4.080 . 4.080 3.641 3.045 3.732 . 0 0 "[ . 1 . 2]" 1
802 1 46 CYS HA 1 51 CYS H 4.600 . 4.600 3.186 2.573 3.445 . 0 0 "[ . 1 . 2]" 1
803 1 46 CYS HA 1 51 CYS HB2 4.990 . 4.990 3.926 1.987 4.468 . 0 0 "[ . 1 . 2]" 1
804 1 46 CYS HA 1 51 CYS QB 4.130 . 4.130 2.541 1.978 3.020 . 0 0 "[ . 1 . 2]" 1
805 1 46 CYS HA 1 51 CYS HB3 4.990 . 4.990 2.723 2.206 4.025 . 0 0 "[ . 1 . 2]" 1
806 1 46 CYS HB2 1 47 CYS H 4.500 . 4.500 3.270 3.003 4.187 . 0 0 "[ . 1 . 2]" 1
807 1 46 CYS HB3 1 47 CYS H 4.500 . 4.500 3.987 3.507 4.358 . 0 0 "[ . 1 . 2]" 1
808 1 46 CYS SG 1 51 CYS CB 3.100 . 3.100 3.028 3.008 3.093 . 0 0 "[ . 1 . 2]" 1
809 1 46 CYS SG 1 51 CYS SG 2.100 . 2.100 2.031 2.027 2.036 . 0 0 "[ . 1 . 2]" 1
810 1 47 CYS H 1 48 PHE H 3.550 . 3.550 2.184 2.060 2.292 . 0 0 "[ . 1 . 2]" 1
811 1 47 CYS H 1 48 PHE HB2 4.690 . 4.690 4.263 4.063 4.558 . 0 0 "[ . 1 . 2]" 1
812 1 47 CYS H 1 49 ARG H 4.370 . 4.370 3.095 2.523 3.470 . 0 0 "[ . 1 . 2]" 1
813 1 47 CYS HB2 1 48 PHE H 4.310 . 4.310 3.694 2.420 3.960 . 0 0 "[ . 1 . 2]" 1
814 1 47 CYS HB3 1 48 PHE H 4.310 . 4.310 2.634 2.216 3.653 . 0 0 "[ . 1 . 2]" 1
815 1 48 PHE H 1 48 PHE HB2 3.850 . 3.850 2.374 2.242 2.547 . 0 0 "[ . 1 . 2]" 1
816 1 48 PHE H 1 48 PHE HB3 4.000 . 4.000 3.609 3.534 3.678 . 0 0 "[ . 1 . 2]" 1
817 1 48 PHE H 1 48 PHE QD 4.050 . 4.050 2.502 2.197 3.336 . 0 0 "[ . 1 . 2]" 1
818 1 48 PHE H 1 49 ARG H 3.360 . 3.360 2.355 2.118 2.509 . 0 0 "[ . 1 . 2]" 1
819 1 48 PHE HA 1 48 PHE QD 3.470 . 3.470 2.889 2.101 3.114 . 0 0 "[ . 1 . 2]" 1
820 1 48 PHE HA 1 48 PHE QE 4.680 . 4.680 4.623 4.467 4.687 0.007 2 0 "[ . 1 . 2]" 1
821 1 48 PHE HB2 1 49 ARG H 3.720 . 3.720 3.019 2.766 3.256 . 0 0 "[ . 1 . 2]" 1
822 1 48 PHE HB3 1 49 ARG H 4.090 . 4.090 3.847 3.607 4.145 0.055 16 0 "[ . 1 . 2]" 1
823 1 49 ARG H 1 49 ARG HB2 4.020 . 4.020 2.872 2.567 3.984 . 0 0 "[ . 1 . 2]" 1
824 1 49 ARG H 1 49 ARG HB3 4.020 . 4.020 3.751 3.408 3.849 . 0 0 "[ . 1 . 2]" 1
825 1 49 ARG H 1 49 ARG HG2 4.280 . 4.280 4.001 2.697 4.304 0.024 16 0 "[ . 1 . 2]" 1
826 1 49 ARG H 1 49 ARG QG 3.650 . 3.650 3.148 2.348 3.614 . 0 0 "[ . 1 . 2]" 1
827 1 49 ARG H 1 49 ARG HG3 4.280 . 4.280 3.327 2.418 3.939 . 0 0 "[ . 1 . 2]" 1
828 1 49 ARG H 1 50 SER H 4.600 . 4.600 4.355 4.259 4.434 . 0 0 "[ . 1 . 2]" 1
829 1 49 ARG HA 1 49 ARG QG 3.470 . 3.470 2.484 2.167 3.385 . 0 0 "[ . 1 . 2]" 1
830 1 49 ARG HA 1 50 SER H 3.140 . 3.140 2.612 2.517 2.825 . 0 0 "[ . 1 . 2]" 1
831 1 49 ARG QB 1 49 ARG HE 4.580 . 4.580 3.457 2.441 4.214 . 0 0 "[ . 1 . 2]" 1
832 1 49 ARG QB 1 50 SER H 3.180 . 3.180 2.132 1.874 2.339 . 0 0 "[ . 1 . 2]" 1
833 1 49 ARG QB 1 50 SER QB 4.470 . 4.470 4.155 3.766 4.500 0.030 12 0 "[ . 1 . 2]" 1
834 1 49 ARG HB2 1 49 ARG QD 3.710 . 3.710 2.582 2.252 3.099 . 0 0 "[ . 1 . 2]" 1
835 1 49 ARG HB2 1 50 SER H 3.830 . 3.830 3.238 2.214 3.719 . 0 0 "[ . 1 . 2]" 1
836 1 49 ARG HB3 1 49 ARG QD 3.710 . 3.710 2.375 2.110 3.318 . 0 0 "[ . 1 . 2]" 1
837 1 49 ARG HB3 1 50 SER H 3.830 . 3.830 2.366 1.892 3.797 . 0 0 "[ . 1 . 2]" 1
838 1 49 ARG QD 1 50 SER H 4.420 . 4.420 4.031 3.180 4.443 0.023 7 0 "[ . 1 . 2]" 1
839 1 49 ARG QG 1 50 SER H 3.730 . 3.730 3.709 3.246 3.794 0.064 13 0 "[ . 1 . 2]" 1
840 1 50 SER H 1 50 SER QB 3.190 . 3.190 2.514 2.260 2.845 . 0 0 "[ . 1 . 2]" 1
841 1 50 SER QB 1 51 CYS H 4.240 . 4.240 3.047 2.602 3.598 . 0 0 "[ . 1 . 2]" 1
842 1 51 CYS HA 1 52 ASP H 3.380 . 3.380 2.477 2.342 2.655 . 0 0 "[ . 1 . 2]" 1
843 1 51 CYS HA 1 55 LEU QD 3.550 . 3.550 2.540 2.208 2.971 . 0 0 "[ . 1 . 2]" 1
844 1 51 CYS QB 1 52 ASP H 3.380 . 3.380 2.280 2.009 2.506 . 0 0 "[ . 1 . 2]" 1
845 1 51 CYS QB 1 55 LEU QD 3.160 . 3.160 2.211 1.968 3.297 0.137 13 0 "[ . 1 . 2]" 1
846 1 51 CYS QB 1 55 LEU HG 4.540 . 4.540 3.070 2.470 4.369 . 0 0 "[ . 1 . 2]" 1
847 1 51 CYS QB 1 56 LEU MD1 4.560 . 4.560 3.734 2.671 4.203 . 0 0 "[ . 1 . 2]" 1
848 1 51 CYS HB2 1 52 ASP H 3.880 . 3.880 2.444 2.021 3.888 0.008 11 0 "[ . 1 . 2]" 1
849 1 51 CYS HB2 1 55 LEU QD 3.980 . 3.980 2.350 1.996 4.092 0.112 13 0 "[ . 1 . 2]" 1
850 1 51 CYS HB3 1 52 ASP H 3.880 . 3.880 3.566 2.058 3.860 . 0 0 "[ . 1 . 2]" 1
851 1 51 CYS HB3 1 55 LEU QD 3.980 . 3.980 2.937 2.702 3.477 . 0 0 "[ . 1 . 2]" 1
852 1 52 ASP H 1 55 LEU H 4.220 . 4.220 3.823 3.504 4.072 . 0 0 "[ . 1 . 2]" 1
853 1 52 ASP H 1 55 LEU QB 3.630 . 3.630 2.408 2.150 2.666 . 0 0 "[ . 1 . 2]" 1
854 1 52 ASP H 1 55 LEU QD 3.360 . 3.360 2.313 1.960 2.561 . 0 0 "[ . 1 . 2]" 1
855 1 52 ASP H 1 55 LEU HG 4.110 . 4.110 3.744 3.461 4.117 0.007 2 0 "[ . 1 . 2]" 1
856 1 52 ASP QB 1 53 LEU H 3.780 . 3.780 2.707 2.318 3.361 . 0 0 "[ . 1 . 2]" 1
857 1 52 ASP HB2 1 53 LEU H 4.300 . 4.300 3.764 2.406 4.269 . 0 0 "[ . 1 . 2]" 1
858 1 52 ASP HB2 1 54 ALA H 4.490 . 4.490 4.020 3.102 4.528 0.038 13 0 "[ . 1 . 2]" 1
859 1 52 ASP HB3 1 53 LEU H 4.300 . 4.300 2.864 2.343 3.788 . 0 0 "[ . 1 . 2]" 1
860 1 52 ASP HB3 1 54 ALA H 4.490 . 4.490 3.131 2.614 4.566 0.076 16 0 "[ . 1 . 2]" 1
861 1 53 LEU H 1 53 LEU MD1 4.330 . 4.330 4.117 3.995 4.343 0.013 18 0 "[ . 1 . 2]" 1
862 1 53 LEU H 1 53 LEU MD2 4.330 . 4.330 4.161 3.936 4.238 . 0 0 "[ . 1 . 2]" 1
863 1 53 LEU H 1 53 LEU HG 4.710 . 4.710 4.486 4.429 4.532 . 0 0 "[ . 1 . 2]" 1
864 1 53 LEU H 1 54 ALA H 3.910 . 3.910 2.884 2.698 3.065 . 0 0 "[ . 1 . 2]" 1
865 1 53 LEU H 1 54 ALA MB 4.650 . 4.650 4.543 4.386 4.684 0.034 15 0 "[ . 1 . 2]" 1
866 1 53 LEU H 1 56 LEU MD1 5.500 . 5.500 5.443 5.248 5.539 0.039 13 0 "[ . 1 . 2]" 1
867 1 53 LEU HA 1 53 LEU MD1 4.040 . 4.040 2.269 2.145 3.138 . 0 0 "[ . 1 . 2]" 1
868 1 53 LEU HA 1 53 LEU QD 2.970 . 2.970 2.211 2.135 2.257 . 0 0 "[ . 1 . 2]" 1
869 1 53 LEU HA 1 53 LEU MD2 4.040 . 4.040 3.834 2.244 3.946 . 0 0 "[ . 1 . 2]" 1
870 1 53 LEU HA 1 56 LEU H 4.310 . 4.310 3.473 3.349 3.687 . 0 0 "[ . 1 . 2]" 1
871 1 53 LEU HA 1 56 LEU HB2 3.890 . 3.890 3.254 2.881 3.576 . 0 0 "[ . 1 . 2]" 1
872 1 53 LEU HA 1 56 LEU HB3 3.850 . 3.850 2.886 2.665 3.098 . 0 0 "[ . 1 . 2]" 1
873 1 53 LEU HA 1 56 LEU MD1 4.330 . 4.330 3.753 3.391 3.993 . 0 0 "[ . 1 . 2]" 1
874 1 53 LEU HA 1 56 LEU MD2 4.830 . 4.830 4.209 4.019 4.443 . 0 0 "[ . 1 . 2]" 1
875 1 53 LEU HB2 1 54 ALA H 3.960 . 3.960 3.863 3.651 3.967 0.007 16 0 "[ . 1 . 2]" 1
876 1 53 LEU HB3 1 53 LEU MD1 3.560 . 3.560 3.185 2.425 3.246 . 0 0 "[ . 1 . 2]" 1
877 1 53 LEU HB3 1 53 LEU MD2 3.560 . 3.560 2.330 2.212 3.199 . 0 0 "[ . 1 . 2]" 1
878 1 53 LEU HB3 1 54 ALA H 3.910 . 3.910 2.514 2.254 2.745 . 0 0 "[ . 1 . 2]" 1
879 1 53 LEU HB3 1 54 ALA MB 4.340 . 4.340 3.905 3.612 3.984 . 0 0 "[ . 1 . 2]" 1
880 1 53 LEU QD 1 54 ALA H 4.120 . 4.120 3.808 3.025 4.072 . 0 0 "[ . 1 . 2]" 1
881 1 53 LEU QD 1 54 ALA HA 4.180 . 4.180 4.089 2.684 4.262 0.082 11 0 "[ . 1 . 2]" 1
882 1 53 LEU QD 1 54 ALA MB 4.940 . 4.940 4.203 3.135 4.395 . 0 0 "[ . 1 . 2]" 1
883 1 53 LEU QD 1 56 LEU HB2 5.180 . 5.180 4.264 3.958 4.642 . 0 0 "[ . 1 . 2]" 1
884 1 53 LEU QD 1 56 LEU HB3 3.530 . 3.530 3.214 2.967 3.558 0.028 18 0 "[ . 1 . 2]" 1
885 1 53 LEU MD1 1 54 ALA H 4.850 . 4.850 4.441 3.077 4.774 . 0 0 "[ . 1 . 2]" 1
886 1 53 LEU MD1 1 54 ALA HA 5.470 . 5.470 4.606 2.698 5.273 . 0 0 "[ . 1 . 2]" 1
887 1 53 LEU MD2 1 54 ALA H 4.850 . 4.850 4.192 3.958 4.509 . 0 0 "[ . 1 . 2]" 1
888 1 53 LEU MD2 1 54 ALA HA 5.470 . 5.470 4.665 4.412 4.788 . 0 0 "[ . 1 . 2]" 1
889 1 53 LEU HG 1 54 ALA H 5.410 . 5.410 3.746 3.440 4.453 . 0 0 "[ . 1 . 2]" 1
890 1 53 LEU HG 1 54 ALA MB 5.030 . 5.030 4.421 4.126 5.071 0.041 18 0 "[ . 1 . 2]" 1
891 1 54 ALA H 1 54 ALA MB 2.730 . 2.730 2.237 2.199 2.278 . 0 0 "[ . 1 . 2]" 1
892 1 54 ALA H 1 55 LEU H 3.490 . 3.490 2.689 2.543 2.800 . 0 0 "[ . 1 . 2]" 1
893 1 54 ALA HA 1 57 GLU H 4.310 . 4.310 3.560 3.409 3.720 . 0 0 "[ . 1 . 2]" 1
894 1 54 ALA HA 1 57 GLU HB2 4.430 . 4.430 3.220 2.896 3.449 . 0 0 "[ . 1 . 2]" 1
895 1 54 ALA HA 1 57 GLU HB3 4.300 . 4.300 3.141 2.877 3.332 . 0 0 "[ . 1 . 2]" 1
896 1 54 ALA HA 1 58 THR MG 4.470 . 4.470 4.522 4.478 4.561 0.091 8 0 "[ . 1 . 2]" 1
897 1 54 ALA MB 1 55 LEU H 3.130 . 3.130 2.584 2.465 2.715 . 0 0 "[ . 1 . 2]" 1
898 1 54 ALA MB 1 55 LEU HA 4.020 . 4.020 3.908 3.860 3.957 . 0 0 "[ . 1 . 2]" 1
899 1 54 ALA MB 1 55 LEU QB 4.240 . 4.240 3.794 3.710 3.899 . 0 0 "[ . 1 . 2]" 1
900 1 54 ALA MB 1 55 LEU QD 4.700 . 4.700 4.724 4.644 4.804 0.104 11 0 "[ . 1 . 2]" 1
901 1 54 ALA MB 1 56 LEU H 4.860 . 4.860 4.592 4.482 4.664 . 0 0 "[ . 1 . 2]" 1
902 1 54 ALA MB 1 57 GLU HB3 5.250 . 5.250 4.352 4.126 4.573 . 0 0 "[ . 1 . 2]" 1
903 1 55 LEU H 1 55 LEU HB2 3.450 . 3.450 2.782 2.722 2.859 . 0 0 "[ . 1 . 2]" 1
904 1 55 LEU H 1 55 LEU HB3 3.450 . 3.450 2.158 2.117 2.199 . 0 0 "[ . 1 . 2]" 1
905 1 55 LEU H 1 55 LEU QD 3.740 . 3.740 3.725 3.678 3.746 0.006 8 0 "[ . 1 . 2]" 1
906 1 55 LEU H 1 55 LEU HG 4.180 . 4.180 4.190 4.137 4.213 0.033 17 0 "[ . 1 . 2]" 1
907 1 55 LEU H 1 56 LEU H 3.710 . 3.710 2.600 2.559 2.710 . 0 0 "[ . 1 . 2]" 1
908 1 55 LEU H 1 58 THR MG 4.680 . 4.680 4.505 4.334 4.581 . 0 0 "[ . 1 . 2]" 1
909 1 55 LEU HA 1 55 LEU QD 2.870 . 2.870 2.461 2.371 2.558 . 0 0 "[ . 1 . 2]" 1
910 1 55 LEU HA 1 55 LEU HG 3.720 . 3.720 3.506 3.417 3.602 . 0 0 "[ . 1 . 2]" 1
911 1 55 LEU HA 1 58 THR MG 2.810 . 2.810 2.471 2.320 2.603 . 0 0 "[ . 1 . 2]" 1
912 1 55 LEU QB 1 55 LEU QD 2.730 . 2.730 1.932 1.908 1.952 . 0 0 "[ . 1 . 2]" 1
913 1 55 LEU QB 1 56 LEU H 3.610 . 3.610 2.581 2.522 2.671 . 0 0 "[ . 1 . 2]" 1
914 1 55 LEU QD 1 56 LEU H 3.560 . 3.560 3.651 3.582 3.722 0.162 17 0 "[ . 1 . 2]" 1
915 1 55 LEU QD 1 56 LEU HA 3.490 . 3.490 3.688 3.513 3.815 0.325 2 0 "[ . 1 . 2]" 1
916 1 55 LEU QD 1 56 LEU HB2 4.490 . 4.490 4.433 4.203 4.600 0.110 17 0 "[ . 1 . 2]" 1
917 1 55 LEU QD 1 56 LEU HG 4.940 . 4.940 5.101 4.978 5.207 0.267 2 0 "[ . 1 . 2]" 1
918 1 55 LEU QD 1 58 THR MG 3.470 . 3.470 3.261 3.087 3.396 . 0 0 "[ . 1 . 2]" 1
919 1 55 LEU QD 1 59 TYR QD 3.810 . 3.810 3.249 2.937 3.619 . 0 0 "[ . 1 . 2]" 1
920 1 55 LEU QD 1 59 TYR QE 3.140 . 3.140 2.321 2.072 2.890 . 0 0 "[ . 1 . 2]" 1
921 1 55 LEU HG 1 56 LEU H 3.870 . 3.870 3.181 3.049 3.328 . 0 0 "[ . 1 . 2]" 1
922 1 55 LEU HG 1 58 THR MG 4.990 . 4.990 4.953 4.759 5.036 0.046 17 0 "[ . 1 . 2]" 1
923 1 55 LEU HG 1 59 TYR QE 4.670 . 4.670 3.710 2.863 4.359 . 0 0 "[ . 1 . 2]" 1
924 1 56 LEU H 1 56 LEU HB2 3.790 . 3.790 2.214 2.149 2.253 . 0 0 "[ . 1 . 2]" 1
925 1 56 LEU H 1 56 LEU HB3 3.580 . 3.580 2.752 2.705 2.799 . 0 0 "[ . 1 . 2]" 1
926 1 56 LEU H 1 56 LEU MD1 4.780 . 4.780 3.982 3.915 4.021 . 0 0 "[ . 1 . 2]" 1
927 1 56 LEU H 1 56 LEU HG 4.370 . 4.370 4.269 4.198 4.306 . 0 0 "[ . 1 . 2]" 1
928 1 56 LEU H 1 57 GLU H 3.570 . 3.570 2.717 2.638 2.831 . 0 0 "[ . 1 . 2]" 1
929 1 56 LEU H 1 57 GLU HB2 5.170 . 5.170 4.803 4.675 4.970 . 0 0 "[ . 1 . 2]" 1
930 1 56 LEU HA 1 56 LEU MD1 4.000 . 4.000 3.448 3.381 3.564 . 0 0 "[ . 1 . 2]" 1
931 1 56 LEU HA 1 56 LEU MD2 3.620 . 3.620 3.246 3.191 3.316 . 0 0 "[ . 1 . 2]" 1
932 1 56 LEU HA 1 56 LEU HG 3.910 . 3.910 2.244 2.188 2.330 . 0 0 "[ . 1 . 2]" 1
933 1 56 LEU HA 1 58 THR H 4.420 . 4.420 3.900 3.836 4.004 . 0 0 "[ . 1 . 2]" 1
934 1 56 LEU HA 1 59 TYR H 4.190 . 4.190 3.866 3.681 3.999 . 0 0 "[ . 1 . 2]" 1
935 1 56 LEU HA 1 59 TYR QD 4.350 . 4.350 2.912 2.487 3.235 . 0 0 "[ . 1 . 2]" 1
936 1 56 LEU HA 1 59 TYR QE 4.920 . 4.920 4.383 3.654 4.941 0.021 3 0 "[ . 1 . 2]" 1
937 1 56 LEU HB2 1 56 LEU MD1 3.540 . 3.540 2.139 2.124 2.160 . 0 0 "[ . 1 . 2]" 1
938 1 56 LEU HB2 1 56 LEU MD2 3.440 . 3.440 3.134 3.098 3.171 . 0 0 "[ . 1 . 2]" 1
939 1 56 LEU HB2 1 57 GLU H 3.960 . 3.960 3.765 3.709 3.803 . 0 0 "[ . 1 . 2]" 1
940 1 56 LEU HB3 1 56 LEU MD1 3.190 . 3.190 2.678 2.590 2.733 . 0 0 "[ . 1 . 2]" 1
941 1 56 LEU HB3 1 56 LEU MD2 3.560 . 3.560 2.226 2.187 2.267 . 0 0 "[ . 1 . 2]" 1
942 1 56 LEU MD1 1 59 TYR QD 5.500 . 5.500 5.474 5.138 5.614 0.114 1 0 "[ . 1 . 2]" 1
943 1 56 LEU MD2 1 57 GLU H 4.320 . 4.320 3.815 3.739 3.913 . 0 0 "[ . 1 . 2]" 1
944 1 56 LEU MD2 1 57 GLU HA 3.970 . 3.970 3.490 3.381 3.681 . 0 0 "[ . 1 . 2]" 1
945 1 56 LEU MD2 1 57 GLU QG 5.340 . 5.340 4.979 4.866 5.169 . 0 0 "[ . 1 . 2]" 1
946 1 56 LEU MD2 1 59 TYR H 5.200 . 5.200 4.392 4.216 4.539 . 0 0 "[ . 1 . 2]" 1
947 1 56 LEU MD2 1 59 TYR QD 5.450 . 5.450 4.767 4.389 5.076 . 0 0 "[ . 1 . 2]" 1
948 1 57 GLU H 1 57 GLU HB2 3.370 . 3.370 2.284 2.236 2.349 . 0 0 "[ . 1 . 2]" 1
949 1 57 GLU H 1 57 GLU HB3 3.480 . 3.480 2.623 2.565 2.662 . 0 0 "[ . 1 . 2]" 1
950 1 57 GLU H 1 57 GLU HG2 4.780 . 4.780 4.522 4.371 4.551 . 0 0 "[ . 1 . 2]" 1
951 1 57 GLU H 1 57 GLU QG 4.100 . 4.100 3.929 3.904 3.952 . 0 0 "[ . 1 . 2]" 1
952 1 57 GLU H 1 57 GLU HG3 4.780 . 4.780 4.317 4.274 4.459 . 0 0 "[ . 1 . 2]" 1
953 1 57 GLU HA 1 57 GLU HG2 3.760 . 3.760 3.062 2.383 3.159 . 0 0 "[ . 1 . 2]" 1
954 1 57 GLU HA 1 57 GLU QG 3.260 . 3.260 2.348 2.306 2.400 . 0 0 "[ . 1 . 2]" 1
955 1 57 GLU HA 1 57 GLU HG3 3.760 . 3.760 2.487 2.375 3.524 . 0 0 "[ . 1 . 2]" 1
956 1 57 GLU HA 1 60 CYS H 3.880 . 3.880 3.803 3.366 3.892 0.012 16 0 "[ . 1 . 2]" 1
957 1 57 GLU HB2 1 58 THR H 4.490 . 4.490 4.045 3.998 4.086 . 0 0 "[ . 1 . 2]" 1
958 1 57 GLU HB2 1 58 THR MG 4.650 . 4.650 4.685 4.655 4.731 0.081 16 0 "[ . 1 . 2]" 1
959 1 57 GLU HB3 1 58 THR H 3.920 . 3.920 3.029 2.902 3.146 . 0 0 "[ . 1 . 2]" 1
960 1 57 GLU HB3 1 58 THR MG 4.090 . 4.090 3.349 3.291 3.390 . 0 0 "[ . 1 . 2]" 1
961 1 57 GLU QG 1 58 THR H 5.260 . 5.260 4.163 4.074 4.456 . 0 0 "[ . 1 . 2]" 1
962 1 57 GLU QG 1 58 THR MG 4.780 . 4.780 4.300 4.231 4.715 . 0 0 "[ . 1 . 2]" 1
963 1 57 GLU HG2 1 58 THR MG 5.500 . 5.500 4.492 4.395 5.253 . 0 0 "[ . 1 . 2]" 1
964 1 57 GLU HG3 1 58 THR MG 5.500 . 5.500 5.531 5.334 5.564 0.064 16 0 "[ . 1 . 2]" 1
965 1 58 THR H 1 58 THR MG 2.960 . 2.960 2.068 2.028 2.130 . 0 0 "[ . 1 . 2]" 1
966 1 58 THR H 1 59 TYR H 3.820 . 3.820 2.638 2.538 2.695 . 0 0 "[ . 1 . 2]" 1
967 1 58 THR H 1 60 CYS H 4.340 . 4.340 4.255 4.080 4.341 0.001 7 0 "[ . 1 . 2]" 1
968 1 58 THR MG 1 59 TYR H 4.150 . 4.150 4.046 3.971 4.100 . 0 0 "[ . 1 . 2]" 1
969 1 59 TYR H 1 59 TYR QB 3.660 . 3.660 2.296 2.197 2.363 . 0 0 "[ . 1 . 2]" 1
970 1 59 TYR H 1 59 TYR QD 3.890 . 3.890 2.632 2.370 2.865 . 0 0 "[ . 1 . 2]" 1
971 1 59 TYR H 1 60 CYS H 3.420 . 3.420 2.497 2.318 2.608 . 0 0 "[ . 1 . 2]" 1
972 1 59 TYR HA 1 59 TYR QD 4.320 . 4.320 2.967 2.827 3.052 . 0 0 "[ . 1 . 2]" 1
973 1 59 TYR HA 1 59 TYR QE 4.790 . 4.790 4.554 4.452 4.664 . 0 0 "[ . 1 . 2]" 1
974 1 59 TYR QB 1 60 CYS H 4.030 . 4.030 3.503 3.381 3.624 . 0 0 "[ . 1 . 2]" 1
975 1 59 TYR HB2 1 60 CYS H 4.610 . 4.610 3.734 3.586 3.873 . 0 0 "[ . 1 . 2]" 1
976 1 59 TYR HB3 1 60 CYS H 4.610 . 4.610 4.243 4.103 4.363 . 0 0 "[ . 1 . 2]" 1
977 1 59 TYR QD 1 60 CYS H 4.950 . 4.950 4.778 4.605 4.908 . 0 0 "[ . 1 . 2]" 1
978 1 60 CYS H 1 60 CYS HB2 3.780 . 3.780 2.429 2.154 2.683 . 0 0 "[ . 1 . 2]" 1
979 1 60 CYS H 1 60 CYS QB 3.250 . 3.250 2.347 2.134 2.475 . 0 0 "[ . 1 . 2]" 1
980 1 60 CYS H 1 60 CYS HB3 3.780 . 3.780 3.376 2.312 3.629 . 0 0 "[ . 1 . 2]" 1
981 1 60 CYS H 1 61 ALA H 5.400 . 5.400 4.661 4.612 4.693 . 0 0 "[ . 1 . 2]" 1
982 1 60 CYS QB 1 61 ALA H 3.990 . 3.990 2.808 2.474 3.579 . 0 0 "[ . 1 . 2]" 1
983 1 60 CYS QB 1 61 ALA MB 4.570 . 4.570 4.257 3.960 4.859 0.289 20 0 "[ . 1 . 2]" 1
984 1 60 CYS HB2 1 61 ALA H 4.570 . 4.570 3.890 3.653 4.161 . 0 0 "[ . 1 . 2]" 1
985 1 60 CYS HB3 1 61 ALA H 4.570 . 4.570 2.909 2.517 3.986 . 0 0 "[ . 1 . 2]" 1
986 1 61 ALA H 1 61 ALA MB 3.040 . 3.040 2.261 2.184 2.313 . 0 0 "[ . 1 . 2]" 1
987 1 61 ALA H 1 62 THR H 4.650 . 4.650 4.580 4.451 4.663 0.013 8 0 "[ . 1 . 2]" 1
988 1 61 ALA HA 1 62 THR H 2.980 . 2.980 2.339 2.145 2.718 . 0 0 "[ . 1 . 2]" 1
989 1 61 ALA MB 1 62 THR H 3.120 . 3.120 2.487 1.998 2.891 . 0 0 "[ . 1 . 2]" 1
990 1 61 ALA MB 1 62 THR HA 4.350 . 4.350 4.179 3.974 4.381 0.031 8 0 "[ . 1 . 2]" 1
991 1 61 ALA MB 1 63 PRO QD 5.350 . 5.350 5.207 4.519 5.642 0.292 20 0 "[ . 1 . 2]" 1
992 1 62 THR H 1 62 THR MG 3.640 . 3.640 2.664 2.245 2.942 . 0 0 "[ . 1 . 2]" 1
993 1 62 THR H 1 63 PRO HD2 5.070 . 5.070 4.919 4.418 5.168 0.098 17 0 "[ . 1 . 2]" 1
994 1 62 THR H 1 63 PRO QD 4.410 . 4.410 4.298 3.795 4.471 0.061 6 0 "[ . 1 . 2]" 1
995 1 62 THR H 1 63 PRO HD3 5.070 . 5.070 4.760 4.135 5.107 0.037 8 0 "[ . 1 . 2]" 1
996 1 62 THR HA 1 62 THR MG 3.370 . 3.370 2.413 2.325 2.542 . 0 0 "[ . 1 . 2]" 1
997 1 62 THR HA 1 63 PRO HD2 3.490 . 3.490 2.533 2.231 2.785 . 0 0 "[ . 1 . 2]" 1
998 1 62 THR HA 1 63 PRO HD3 3.490 . 3.490 2.430 2.015 2.570 . 0 0 "[ . 1 . 2]" 1
999 1 62 THR HA 1 63 PRO HG2 4.900 . 4.900 4.607 4.397 4.781 . 0 0 "[ . 1 . 2]" 1
1000 1 62 THR HA 1 63 PRO QG 4.290 . 4.290 4.098 3.868 4.260 . 0 0 "[ . 1 . 2]" 1
1001 1 62 THR HA 1 63 PRO HG3 4.900 . 4.900 4.601 4.161 4.782 . 0 0 "[ . 1 . 2]" 1
1002 1 62 THR HB 1 63 PRO HD2 4.370 . 4.370 2.401 1.929 2.961 . 0 0 "[ . 1 . 2]" 1
1003 1 62 THR HB 1 63 PRO QD 3.700 . 3.700 2.370 1.916 2.906 . 0 0 "[ . 1 . 2]" 1
1004 1 62 THR HB 1 63 PRO HD3 4.370 . 4.370 3.701 3.266 4.219 . 0 0 "[ . 1 . 2]" 1
1005 1 62 THR MG 1 63 PRO QD 3.810 . 3.810 3.343 3.128 3.556 . 0 0 "[ . 1 . 2]" 1
1006 1 63 PRO HA 1 64 ALA H 2.700 . 2.700 2.286 2.122 2.418 . 0 0 "[ . 1 . 2]" 1
1007 1 63 PRO HB2 1 64 ALA H 3.620 . 3.620 2.942 2.625 3.665 0.045 17 0 "[ . 1 . 2]" 1
1008 1 63 PRO HB3 1 64 ALA H 3.620 . 3.620 3.585 3.204 3.657 0.037 9 0 "[ . 1 . 2]" 1
1009 1 64 ALA H 1 64 ALA MB 2.690 . 2.690 2.289 2.215 2.479 . 0 0 "[ . 1 . 2]" 1
1010 1 64 ALA HA 1 65 LYS H 2.880 . 2.880 2.307 2.110 2.680 . 0 0 "[ . 1 . 2]" 1
1011 1 64 ALA MB 1 65 LYS H 3.690 . 3.690 2.965 2.396 3.728 0.038 6 0 "[ . 1 . 2]" 1
1012 1 65 LYS H 1 65 LYS HB2 3.780 . 3.780 2.938 2.375 3.629 . 0 0 "[ . 1 . 2]" 1
1013 1 65 LYS H 1 65 LYS QB 3.080 . 3.080 2.628 2.344 3.084 0.004 14 0 "[ . 1 . 2]" 1
1014 1 65 LYS H 1 65 LYS HB3 3.780 . 3.780 3.373 2.537 3.794 0.014 19 0 "[ . 1 . 2]" 1
1015 1 65 LYS H 1 65 LYS QG 4.630 . 4.630 3.164 1.966 4.485 . 0 0 "[ . 1 . 2]" 1
1016 1 65 LYS HB2 1 66 SER H 5.010 . 5.010 3.897 2.535 4.626 . 0 0 "[ . 1 . 2]" 1
1017 1 65 LYS HB3 1 66 SER H 5.010 . 5.010 3.738 2.588 4.362 . 0 0 "[ . 1 . 2]" 1
1018 1 66 SER H 1 66 SER QB 3.680 . 3.680 2.927 2.246 3.356 . 0 0 "[ . 1 . 2]" 1
1019 1 66 SER H 1 67 GLU H 4.280 . 4.280 3.745 2.654 4.308 0.028 5 0 "[ . 1 . 2]" 1
1020 1 66 SER HA 1 67 GLU H 3.410 . 3.410 2.472 2.174 3.491 0.081 17 0 "[ . 1 . 2]" 1
1021 1 66 SER QB 1 67 GLU H 4.630 . 4.630 3.423 2.411 4.057 . 0 0 "[ . 1 . 2]" 1
1022 1 67 GLU QB 1 67 GLU QG 2.310 . 2.310 2.093 2.032 2.147 . 0 0 "[ . 1 . 2]" 1
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