NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406783 |
1xwh   |
6374 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xwh
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 856
_Distance_constraint_stats_list.Viol_count 380
_Distance_constraint_stats_list.Viol_total 596.921
_Distance_constraint_stats_list.Viol_max 0.936
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0785
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 0.006 0.006 20 0 "[ . 1 . 2]"
1 4 ALA 0.060 0.053 4 0 "[ . 1 . 2]"
1 5 GLN 0.125 0.053 4 0 "[ . 1 . 2]"
1 6 LYS 0.473 0.080 10 0 "[ . 1 . 2]"
1 7 ASN 1.451 0.280 16 0 "[ . 1 . 2]"
1 8 GLU 1.350 0.280 16 0 "[ . 1 . 2]"
1 9 ASP 0.947 0.155 4 0 "[ . 1 . 2]"
1 10 GLU 0.499 0.252 17 0 "[ . 1 . 2]"
1 11 CYS 1.026 0.820 1 1 "[+ . 1 . 2]"
1 12 ALA 3.489 0.936 1 2 "[+ . 1 - 2]"
1 13 VAL 0.529 0.372 16 0 "[ . 1 . 2]"
1 14 CYS 0.372 0.372 16 0 "[ . 1 . 2]"
1 15 ARG 2.349 0.277 4 0 "[ . 1 . 2]"
1 16 ASP 0.304 0.121 1 0 "[ . 1 . 2]"
1 17 GLY 0.205 0.035 16 0 "[ . 1 . 2]"
1 18 GLY 0.776 0.117 18 0 "[ . 1 . 2]"
1 19 GLU 0.779 0.117 18 0 "[ . 1 . 2]"
1 20 LEU 0.828 0.077 13 0 "[ . 1 . 2]"
1 21 ILE 1.103 0.307 16 0 "[ . 1 . 2]"
1 22 CYS 0.382 0.136 20 0 "[ . 1 . 2]"
1 23 CYS 0.268 0.212 8 0 "[ . 1 . 2]"
1 24 ASP 1.290 0.538 11 2 "[ - 1+ . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.449 0.119 7 0 "[ . 1 . 2]"
1 27 PRO 0.630 0.119 7 0 "[ . 1 . 2]"
1 28 ARG 4.255 0.936 1 2 "[+ . 1 - 2]"
1 29 ALA 0.949 0.155 4 0 "[ . 1 . 2]"
1 30 PHE 0.842 0.114 20 0 "[ . 1 . 2]"
1 31 HIS 1.300 0.820 1 1 "[+ . 1 . 2]"
1 32 LEU 1.384 0.138 6 0 "[ . 1 . 2]"
1 33 ALA 0.064 0.044 8 0 "[ . 1 . 2]"
1 34 CYS 0.100 0.033 6 0 "[ . 1 . 2]"
1 35 LEU 3.317 0.524 18 1 "[ . 1 . + 2]"
1 36 SER 1.432 0.428 1 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 0.714 0.524 18 1 "[ . 1 . + 2]"
1 39 LEU 0.289 0.101 3 0 "[ . 1 . 2]"
1 40 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.309 0.159 12 0 "[ . 1 . 2]"
1 42 ILE 1.133 0.159 12 0 "[ . 1 . 2]"
1 43 PRO 1.171 0.307 16 0 "[ . 1 . 2]"
1 44 SER 0.009 0.009 8 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.972 0.217 16 0 "[ . 1 . 2]"
1 47 TRP 1.046 0.249 18 0 "[ . 1 . 2]"
1 48 ARG 1.252 0.538 11 2 "[ - 1+ . 2]"
1 49 CYS 0.207 0.040 3 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.107 0.042 7 0 "[ . 1 . 2]"
1 53 LEU 0.046 0.027 11 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ALA 1.113 0.153 17 0 "[ . 1 . 2]"
1 56 THR 1.113 0.153 17 0 "[ . 1 . 2]"
1 57 VAL 2.052 0.214 7 0 "[ . 1 . 2]"
1 58 GLN 2.052 0.214 7 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.101 0.040 13 0 "[ . 1 . 2]"
1 62 PRO 0.433 0.137 11 0 "[ . 1 . 2]"
1 63 ARG 2.974 0.241 4 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 2 ALA MB 2.300 . 3.000 2.128 2.119 2.136 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 MET H 3.300 . 4.700 2.640 2.132 3.566 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET H 1 3 MET QB 3.800 . 5.600 2.622 2.247 3.371 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET HA 1 3 MET HB2 2.600 . 3.500 2.665 2.427 3.029 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET HA 1 3 MET HB3 2.900 . 4.000 2.724 2.354 3.076 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET HA 1 4 ALA H 2.900 . 3.900 2.764 2.147 3.548 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET QB 1 4 ALA H 3.800 . 5.600 3.299 1.994 4.032 0.006 20 0 "[ . 1 . 2]" 1
8 1 3 MET HB2 1 3 MET HG3 3.000 . 4.100 2.603 2.424 3.060 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA H 1 4 ALA MB 3.200 . 4.500 2.507 2.235 2.968 . 0 0 "[ . 1 . 2]" 1
10 1 4 ALA HA 1 4 ALA MB 2.200 . 2.800 2.126 2.119 2.133 . 0 0 "[ . 1 . 2]" 1
11 1 4 ALA MB 1 5 GLN H 3.600 . 5.200 3.130 1.947 3.722 0.053 4 0 "[ . 1 . 2]" 1
12 1 5 GLN H 1 5 GLN QB 3.000 . 6.000 2.676 2.315 3.390 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLN H 1 5 GLN QG 4.000 . 6.000 3.034 1.973 4.550 0.027 2 0 "[ . 1 . 2]" 1
14 1 5 GLN HA 1 5 GLN QB 2.500 . 3.300 2.375 2.182 2.458 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLN HA 1 5 GLN QG 2.600 . 3.400 2.707 2.386 3.380 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLN QB 1 5 GLN QG 1.800 . 2.200 2.051 1.972 2.102 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLN QB 1 6 LYS H 3.100 . 6.000 2.473 1.749 3.190 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLN QB 1 6 LYS QD 2.700 . 3.600 2.681 1.755 3.544 0.045 17 0 "[ . 1 . 2]" 1
19 1 6 LYS H 1 6 LYS QD 2.700 . 6.000 2.309 1.488 3.806 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS H 1 6 LYS QG 3.300 . 4.600 3.094 2.087 3.788 . 0 0 "[ . 1 . 2]" 1
21 1 6 LYS HA 1 6 LYS QB 2.300 . 3.000 2.325 2.159 2.500 . 0 0 "[ . 1 . 2]" 1
22 1 6 LYS HA 1 6 LYS QD 2.700 . 3.600 3.079 1.894 3.680 0.080 10 0 "[ . 1 . 2]" 1
23 1 6 LYS HA 1 6 LYS QG 2.800 . 3.800 2.914 2.385 3.536 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS HA 1 7 ASN H 2.400 . 3.100 2.247 2.119 2.486 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS QD 1 6 LYS QG 1.700 . 2.200 2.073 1.997 2.110 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS QD 1 7 ASN H 2.900 . 6.000 4.770 3.723 5.292 . 0 0 "[ . 1 . 2]" 1
27 1 6 LYS QE 1 6 LYS QG 3.100 . 4.300 2.366 2.125 2.842 . 0 0 "[ . 1 . 2]" 1
28 1 6 LYS QG 1 7 ASN H 4.100 . 6.000 4.304 3.732 4.906 . 0 0 "[ . 1 . 2]" 1
29 1 7 ASN H 1 7 ASN HA 3.000 . 4.200 2.912 2.864 2.942 . 0 0 "[ . 1 . 2]" 1
30 1 7 ASN H 1 7 ASN HB2 3.300 . 4.700 3.221 2.406 4.036 . 0 0 "[ . 1 . 2]" 1
31 1 7 ASN H 1 7 ASN HB3 2.800 . 3.800 3.313 2.547 3.931 0.131 16 0 "[ . 1 . 2]" 1
32 1 7 ASN H 1 8 GLU H 4.100 . 6.000 4.330 3.881 4.598 . 0 0 "[ . 1 . 2]" 1
33 1 7 ASN HA 1 7 ASN HB2 2.600 . 3.500 2.675 2.356 3.039 . 0 0 "[ . 1 . 2]" 1
34 1 7 ASN HA 1 7 ASN HB3 3.000 . 4.100 2.639 2.315 3.083 . 0 0 "[ . 1 . 2]" 1
35 1 7 ASN HA 1 8 GLU H 2.500 . 3.300 2.224 2.114 2.421 . 0 0 "[ . 1 . 2]" 1
36 1 7 ASN HA 1 27 PRO HA 2.600 . 3.400 2.772 2.252 3.349 . 0 0 "[ . 1 . 2]" 1
37 1 7 ASN HA 1 27 PRO HB2 3.300 . 4.600 3.283 2.197 4.243 . 0 0 "[ . 1 . 2]" 1
38 1 7 ASN HA 1 27 PRO HB3 3.500 . 5.000 2.649 1.934 3.556 0.066 18 0 "[ . 1 . 2]" 1
39 1 7 ASN HB2 1 8 GLU H 3.000 . 4.100 3.630 2.396 4.380 0.280 16 0 "[ . 1 . 2]" 1
40 1 7 ASN HB3 1 8 GLU H 3.600 . 5.200 3.759 2.842 4.399 . 0 0 "[ . 1 . 2]" 1
41 1 8 GLU H 1 8 GLU HA 2.900 . 4.000 2.868 2.823 2.899 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLU H 1 8 GLU QB 2.700 . 3.600 2.394 2.205 2.611 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLU H 1 8 GLU QG 2.900 . 4.000 2.949 1.901 4.084 0.084 19 0 "[ . 1 . 2]" 1
44 1 8 GLU H 1 9 ASP H 4.300 . 6.000 4.534 4.475 4.589 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLU HA 1 8 GLU QB 2.200 . 2.800 2.394 2.296 2.454 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLU HA 1 8 GLU QG 2.900 . 6.000 2.701 2.363 3.107 . 0 0 "[ . 1 . 2]" 1
47 1 8 GLU HA 1 9 ASP H 2.300 . 3.000 2.165 2.108 2.195 . 0 0 "[ . 1 . 2]" 1
48 1 8 GLU QB 1 9 ASP H 3.000 . 4.100 3.345 2.944 3.767 . 0 0 "[ . 1 . 2]" 1
49 1 8 GLU QG 1 9 ASP H 4.000 . 6.000 3.816 2.603 4.821 . 0 0 "[ . 1 . 2]" 1
50 1 9 ASP H 1 9 ASP HA 2.900 . 3.900 2.902 2.879 2.931 . 0 0 "[ . 1 . 2]" 1
51 1 9 ASP H 1 9 ASP QB 2.700 . 3.600 2.449 2.248 2.779 . 0 0 "[ . 1 . 2]" 1
52 1 9 ASP H 1 10 GLU H 2.800 . 3.800 2.986 2.840 3.151 . 0 0 "[ . 1 . 2]" 1
53 1 9 ASP HA 1 9 ASP QB 2.200 . 2.800 2.389 2.206 2.501 . 0 0 "[ . 1 . 2]" 1
54 1 9 ASP HA 1 10 GLU H 2.700 . 3.600 2.907 2.819 3.138 . 0 0 "[ . 1 . 2]" 1
55 1 9 ASP HA 1 20 LEU MD1 2.500 . 3.300 2.735 2.341 3.251 . 0 0 "[ . 1 . 2]" 1
56 1 9 ASP HA 1 29 ALA MB 3.400 . 4.800 3.495 3.033 3.864 . 0 0 "[ . 1 . 2]" 1
57 1 9 ASP QB 1 10 GLU H 3.500 . 5.000 3.877 3.664 4.096 . 0 0 "[ . 1 . 2]" 1
58 1 9 ASP QB 1 20 LEU MD1 2.800 . 3.800 3.505 3.004 3.874 0.074 10 0 "[ . 1 . 2]" 1
59 1 9 ASP QB 1 29 ALA MB 3.500 . 5.000 4.953 4.578 5.155 0.155 4 0 "[ . 1 . 2]" 1
60 1 10 GLU H 1 10 GLU HA 2.900 . 3.900 2.924 2.887 2.947 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLU H 1 10 GLU QB 3.000 . 4.200 2.755 2.515 3.260 . 0 0 "[ . 1 . 2]" 1
62 1 10 GLU H 1 10 GLU QG 2.800 . 3.800 3.060 2.277 4.052 0.252 17 0 "[ . 1 . 2]" 1
63 1 10 GLU H 1 20 LEU MD1 3.300 . 4.700 3.253 3.012 3.500 . 0 0 "[ . 1 . 2]" 1
64 1 10 GLU H 1 29 ALA MB 3.700 . 5.400 2.913 2.771 3.112 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLU HA 1 10 GLU QB 2.300 . 2.900 2.332 2.186 2.482 . 0 0 "[ . 1 . 2]" 1
66 1 10 GLU HA 1 10 GLU HG2 3.000 . 4.100 3.124 2.444 3.892 . 0 0 "[ . 1 . 2]" 1
67 1 10 GLU HA 1 10 GLU HG3 3.100 . 4.300 3.476 2.663 3.862 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLU HA 1 11 CYS H 2.300 . 2.900 2.181 2.139 2.226 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLU HA 1 17 GLY HA2 2.900 . 4.000 3.532 2.857 3.989 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLU HA 1 17 GLY HA3 3.200 . 4.500 4.058 3.426 4.517 0.017 1 0 "[ . 1 . 2]" 1
71 1 10 GLU HA 1 20 LEU MD1 2.400 . 3.200 2.823 2.253 3.230 0.030 15 0 "[ . 1 . 2]" 1
72 1 10 GLU HA 1 20 LEU MD2 3.700 . 5.400 3.979 3.486 4.473 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLU QB 1 10 GLU HG2 2.400 . 3.100 2.309 2.120 2.425 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLU QB 1 10 GLU HG3 2.300 . 3.000 2.349 2.182 2.515 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLU QB 1 11 CYS H 3.200 . 4.500 3.173 2.792 3.760 . 0 0 "[ . 1 . 2]" 1
76 1 11 CYS H 1 11 CYS HB2 2.500 . 3.300 2.677 2.479 2.786 . 0 0 "[ . 1 . 2]" 1
77 1 11 CYS H 1 11 CYS HB3 2.500 . 3.300 2.476 2.422 2.589 . 0 0 "[ . 1 . 2]" 1
78 1 11 CYS H 1 17 GLY HA2 3.400 . 4.900 3.349 3.109 3.723 . 0 0 "[ . 1 . 2]" 1
79 1 11 CYS H 1 20 LEU MD1 3.300 . 4.600 3.046 2.391 3.323 . 0 0 "[ . 1 . 2]" 1
80 1 11 CYS H 1 20 LEU MD2 3.300 . 4.700 2.935 2.603 3.413 . 0 0 "[ . 1 . 2]" 1
81 1 11 CYS H 1 31 HIS HE1 3.700 . 5.400 4.164 3.841 4.560 . 0 0 "[ . 1 . 2]" 1
82 1 11 CYS HA 1 11 CYS HB2 2.600 . 3.500 2.439 2.418 2.503 . 0 0 "[ . 1 . 2]" 1
83 1 11 CYS HA 1 11 CYS HB3 2.600 . 3.400 3.036 3.026 3.079 . 0 0 "[ . 1 . 2]" 1
84 1 11 CYS HA 1 20 LEU MD1 3.200 . 4.500 3.815 3.431 4.054 . 0 0 "[ . 1 . 2]" 1
85 1 11 CYS HA 1 20 LEU MD2 2.700 . 3.600 2.899 2.700 3.143 . 0 0 "[ . 1 . 2]" 1
86 1 11 CYS HA 1 29 ALA MB 3.100 . 4.300 3.086 2.496 3.525 . 0 0 "[ . 1 . 2]" 1
87 1 11 CYS HA 1 30 PHE HA 2.500 . 3.300 2.725 2.393 3.330 0.030 1 0 "[ . 1 . 2]" 1
88 1 11 CYS HA 1 31 HIS H 4.000 . 6.000 4.492 4.187 5.222 . 0 0 "[ . 1 . 2]" 1
89 1 11 CYS HA 1 31 HIS HE1 4.300 . 6.000 5.451 5.173 5.760 . 0 0 "[ . 1 . 2]" 1
90 1 11 CYS HB2 1 12 ALA H 4.200 . 6.000 4.297 3.877 4.423 . 0 0 "[ . 1 . 2]" 1
91 1 11 CYS HB2 1 13 VAL H 3.600 . 5.300 4.416 4.243 4.672 . 0 0 "[ . 1 . 2]" 1
92 1 11 CYS HB2 1 16 ASP H 3.500 . 6.000 3.925 3.400 4.688 . 0 0 "[ . 1 . 2]" 1
93 1 11 CYS HB2 1 20 LEU MD2 2.600 . 3.500 1.960 1.814 2.188 . 0 0 "[ . 1 . 2]" 1
94 1 11 CYS HB2 1 30 PHE HA 3.600 . 5.200 3.253 2.872 4.133 . 0 0 "[ . 1 . 2]" 1
95 1 11 CYS HB2 1 31 HIS H 3.200 . 6.000 3.613 3.126 4.918 . 0 0 "[ . 1 . 2]" 1
96 1 11 CYS HB2 1 31 HIS HE1 2.600 . 3.500 3.152 2.722 3.535 0.035 13 0 "[ . 1 . 2]" 1
97 1 11 CYS HB3 1 12 ALA H 3.600 . 5.200 4.291 3.544 4.456 . 0 0 "[ . 1 . 2]" 1
98 1 11 CYS HB3 1 14 CYS H 3.600 . 5.200 3.042 2.854 3.464 . 0 0 "[ . 1 . 2]" 1
99 1 11 CYS HB3 1 20 LEU MD2 3.300 . 4.700 3.228 3.066 3.417 . 0 0 "[ . 1 . 2]" 1
100 1 11 CYS HB3 1 30 PHE HA 3.700 . 5.400 4.332 4.043 4.998 . 0 0 "[ . 1 . 2]" 1
101 1 11 CYS HB3 1 31 HIS H 3.500 . 5.000 4.593 4.156 5.820 0.820 1 1 "[+ . 1 . 2]" 1
102 1 11 CYS HB3 1 31 HIS HE1 2.900 . 4.000 3.032 2.847 3.460 . 0 0 "[ . 1 . 2]" 1
103 1 12 ALA H 1 12 ALA MB 2.500 . 3.300 2.251 2.201 2.506 . 0 0 "[ . 1 . 2]" 1
104 1 12 ALA H 1 29 ALA H 3.200 . 4.500 3.715 3.226 4.535 0.035 1 0 "[ . 1 . 2]" 1
105 1 12 ALA H 1 30 PHE HA 3.100 . 4.300 3.527 3.056 4.083 . 0 0 "[ . 1 . 2]" 1
106 1 12 ALA H 1 30 PHE QE 3.900 . 5.800 4.052 3.707 4.604 . 0 0 "[ . 1 . 2]" 1
107 1 12 ALA HA 1 12 ALA MB 2.100 . 2.600 2.123 2.115 2.133 . 0 0 "[ . 1 . 2]" 1
108 1 12 ALA MB 1 13 VAL H 3.200 . 4.500 3.264 2.821 3.677 . 0 0 "[ . 1 . 2]" 1
109 1 12 ALA MB 1 13 VAL HA 2.800 . 6.000 4.076 3.846 4.324 . 0 0 "[ . 1 . 2]" 1
110 1 12 ALA MB 1 28 ARG HB2 4.200 . 6.000 4.539 3.861 5.342 . 0 0 "[ . 1 . 2]" 1
111 1 12 ALA MB 1 28 ARG HD2 3.500 . 5.000 3.347 2.211 4.595 . 0 0 "[ . 1 . 2]" 1
112 1 12 ALA MB 1 28 ARG HD3 2.700 . 3.600 3.248 2.398 4.536 0.936 1 2 "[+ . 1 - 2]" 1
113 1 12 ALA MB 1 28 ARG HG2 3.300 . 6.000 3.948 2.106 5.060 . 0 0 "[ . 1 . 2]" 1
114 1 12 ALA MB 1 28 ARG HG3 3.400 . 4.900 4.630 3.642 5.480 0.580 15 1 "[ . 1 + 2]" 1
115 1 12 ALA MB 1 30 PHE QD 3.000 . 4.100 3.359 3.010 3.691 . 0 0 "[ . 1 . 2]" 1
116 1 12 ALA MB 1 30 PHE QE 2.800 . 3.700 2.196 1.877 2.763 0.023 15 0 "[ . 1 . 2]" 1
117 1 12 ALA MB 1 30 PHE HZ 2.700 . 6.000 3.305 2.833 4.029 . 0 0 "[ . 1 . 2]" 1
118 1 13 VAL H 1 13 VAL HB 2.700 . 3.600 2.614 2.507 2.852 . 0 0 "[ . 1 . 2]" 1
119 1 13 VAL H 1 13 VAL MG1 3.700 . 5.400 3.826 3.769 3.926 . 0 0 "[ . 1 . 2]" 1
120 1 13 VAL H 1 13 VAL MG2 2.700 . 3.600 2.458 2.033 3.020 . 0 0 "[ . 1 . 2]" 1
121 1 13 VAL H 1 14 CYS H 2.500 . 3.300 2.490 2.016 2.839 . 0 0 "[ . 1 . 2]" 1
122 1 13 VAL H 1 15 ARG H 3.500 . 5.100 3.240 2.442 3.768 . 0 0 "[ . 1 . 2]" 1
123 1 13 VAL HA 1 13 VAL HB 3.000 . 4.100 3.025 3.017 3.039 . 0 0 "[ . 1 . 2]" 1
124 1 13 VAL HA 1 13 VAL MG1 2.300 . 3.000 2.392 2.350 2.439 . 0 0 "[ . 1 . 2]" 1
125 1 13 VAL HA 1 13 VAL MG2 2.200 . 2.800 2.399 2.351 2.452 . 0 0 "[ . 1 . 2]" 1
126 1 13 VAL HA 1 14 CYS H 3.200 . 4.500 3.585 3.556 3.601 . 0 0 "[ . 1 . 2]" 1
127 1 13 VAL HB 1 13 VAL MG1 2.300 . 2.900 2.130 2.126 2.133 . 0 0 "[ . 1 . 2]" 1
128 1 13 VAL HB 1 13 VAL MG2 2.200 . 2.800 2.129 2.125 2.133 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL HB 1 14 CYS H 2.400 . 3.100 2.275 2.059 2.447 . 0 0 "[ . 1 . 2]" 1
130 1 13 VAL HB 1 14 CYS HB2 3.700 . 5.400 5.118 4.125 5.288 . 0 0 "[ . 1 . 2]" 1
131 1 13 VAL HB 1 34 CYS HB2 2.800 . 3.800 3.691 3.450 3.824 0.024 20 0 "[ . 1 . 2]" 1
132 1 13 VAL HB 1 34 CYS HB3 2.800 . 3.800 2.627 2.192 2.951 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL MG1 1 13 VAL MG2 2.000 . 2.500 2.085 2.078 2.092 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL MG1 1 14 CYS H 3.300 . 4.600 3.151 2.921 3.338 . 0 0 "[ . 1 . 2]" 1
135 1 13 VAL MG1 1 14 CYS HA 3.000 . 4.100 3.462 3.235 3.665 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL MG1 1 14 CYS HB3 2.900 . 4.000 3.075 2.743 4.372 0.372 16 0 "[ . 1 . 2]" 1
137 1 13 VAL MG1 1 34 CYS HA 3.500 . 5.000 3.443 3.156 3.876 . 0 0 "[ . 1 . 2]" 1
138 1 13 VAL MG1 1 34 CYS HB2 3.600 . 5.300 3.746 3.447 3.999 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL MG1 1 34 CYS HB3 2.900 . 4.000 2.213 1.900 2.471 . 0 0 "[ . 1 . 2]" 1
140 1 13 VAL MG2 1 14 CYS H 3.800 . 5.600 3.705 3.623 3.767 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL MG2 1 30 PHE QD 2.200 . 2.800 1.818 1.559 2.198 0.041 11 0 "[ . 1 . 2]" 1
142 1 13 VAL MG2 1 30 PHE QE 2.600 . 3.400 2.843 2.486 3.372 . 0 0 "[ . 1 . 2]" 1
143 1 13 VAL MG2 1 34 CYS HB2 3.000 . 4.100 3.259 2.971 3.630 . 0 0 "[ . 1 . 2]" 1
144 1 13 VAL MG2 1 34 CYS HB3 2.700 . 3.600 2.442 1.767 2.949 0.033 6 0 "[ . 1 . 2]" 1
145 1 14 CYS H 1 14 CYS HA 3.000 . 4.100 2.943 2.925 2.950 . 0 0 "[ . 1 . 2]" 1
146 1 14 CYS H 1 14 CYS HB2 2.900 . 4.000 3.639 2.495 3.731 . 0 0 "[ . 1 . 2]" 1
147 1 14 CYS H 1 14 CYS HB3 3.000 . 4.100 3.149 3.025 3.679 . 0 0 "[ . 1 . 2]" 1
148 1 14 CYS HA 1 14 CYS HB2 2.600 . 3.400 2.533 2.474 3.012 . 0 0 "[ . 1 . 2]" 1
149 1 14 CYS HA 1 14 CYS HB3 2.600 . 3.400 2.454 2.388 2.490 . 0 0 "[ . 1 . 2]" 1
150 1 14 CYS HA 1 15 ARG H 3.500 . 5.000 3.211 3.126 3.316 . 0 0 "[ . 1 . 2]" 1
151 1 14 CYS HB2 1 15 ARG H 3.200 . 4.500 4.271 3.608 4.364 . 0 0 "[ . 1 . 2]" 1
152 1 14 CYS HB3 1 15 ARG H 4.200 . 6.000 4.529 4.308 4.633 . 0 0 "[ . 1 . 2]" 1
153 1 15 ARG H 1 15 ARG HA 2.300 . 6.000 2.268 2.254 2.283 . 0 0 "[ . 1 . 2]" 1
154 1 15 ARG H 1 15 ARG QB 3.500 . 5.000 3.203 2.884 3.406 . 0 0 "[ . 1 . 2]" 1
155 1 15 ARG H 1 15 ARG QD 3.500 . 6.000 4.401 2.336 5.440 . 0 0 "[ . 1 . 2]" 1
156 1 15 ARG H 1 15 ARG HG2 3.900 . 5.800 4.034 2.996 5.171 . 0 0 "[ . 1 . 2]" 1
157 1 15 ARG H 1 15 ARG HG3 3.400 . 6.000 3.580 2.802 5.018 . 0 0 "[ . 1 . 2]" 1
158 1 15 ARG H 1 16 ASP H 2.700 . 3.600 2.768 2.665 2.832 . 0 0 "[ . 1 . 2]" 1
159 1 15 ARG HA 1 15 ARG HB2 3.000 . 4.100 2.875 2.432 3.020 . 0 0 "[ . 1 . 2]" 1
160 1 15 ARG HA 1 15 ARG HB3 2.700 . 3.600 2.676 2.402 3.056 . 0 0 "[ . 1 . 2]" 1
161 1 15 ARG HA 1 15 ARG QD 2.900 . 3.900 3.629 1.989 4.177 0.277 4 0 "[ . 1 . 2]" 1
162 1 15 ARG HA 1 15 ARG HG2 2.700 . 3.600 2.851 2.413 3.690 0.090 15 0 "[ . 1 . 2]" 1
163 1 15 ARG HA 1 15 ARG HG3 2.600 . 3.400 2.914 2.418 3.665 0.265 3 0 "[ . 1 . 2]" 1
164 1 15 ARG HA 1 16 ASP H 2.900 . 6.000 2.944 2.741 3.313 . 0 0 "[ . 1 . 2]" 1
165 1 15 ARG HB2 1 15 ARG QD 3.500 . 5.000 2.561 2.297 3.536 . 0 0 "[ . 1 . 2]" 1
166 1 15 ARG HB2 1 15 ARG HG2 3.000 . 4.100 2.865 2.352 3.015 . 0 0 "[ . 1 . 2]" 1
167 1 15 ARG HB2 1 15 ARG HG3 2.800 . 3.800 2.586 2.298 3.046 . 0 0 "[ . 1 . 2]" 1
168 1 15 ARG HB3 1 15 ARG QD 3.400 . 4.800 2.718 2.287 3.530 . 0 0 "[ . 1 . 2]" 1
169 1 15 ARG HB3 1 15 ARG HG2 2.700 . 3.600 2.455 2.313 2.984 . 0 0 "[ . 1 . 2]" 1
170 1 15 ARG QD 1 15 ARG HG2 2.400 . 6.000 2.337 2.185 2.416 . 0 0 "[ . 1 . 2]" 1
171 1 15 ARG QD 1 15 ARG HG3 2.600 . 3.400 2.302 2.159 2.431 . 0 0 "[ . 1 . 2]" 1
172 1 16 ASP H 1 16 ASP HA 2.800 . 3.800 2.938 2.897 2.951 . 0 0 "[ . 1 . 2]" 1
173 1 16 ASP H 1 16 ASP QB 2.400 . 3.100 2.497 2.273 2.681 . 0 0 "[ . 1 . 2]" 1
174 1 16 ASP H 1 31 HIS HE1 3.200 . 4.500 3.345 2.722 4.017 . 0 0 "[ . 1 . 2]" 1
175 1 16 ASP HA 1 16 ASP HB2 2.700 . 3.600 2.770 2.477 3.031 . 0 0 "[ . 1 . 2]" 1
176 1 16 ASP HA 1 16 ASP HB3 2.700 . 3.600 2.849 2.566 3.079 . 0 0 "[ . 1 . 2]" 1
177 1 16 ASP HA 1 17 GLY H 2.400 . 3.100 2.430 2.354 2.518 . 0 0 "[ . 1 . 2]" 1
178 1 16 ASP HA 1 31 HIS HE1 4.000 . 6.000 4.128 3.892 4.419 . 0 0 "[ . 1 . 2]" 1
179 1 16 ASP QB 1 17 GLY H 2.800 . 3.800 2.868 2.299 3.465 . 0 0 "[ . 1 . 2]" 1
180 1 16 ASP HB2 1 31 HIS HE1 2.700 . 3.600 2.831 1.689 3.629 0.111 4 0 "[ . 1 . 2]" 1
181 1 16 ASP HB3 1 31 HIS HE1 2.300 . 3.000 2.245 1.615 3.121 0.121 1 0 "[ . 1 . 2]" 1
182 1 17 GLY H 1 17 GLY HA2 2.900 . 3.900 2.953 2.946 2.959 . 0 0 "[ . 1 . 2]" 1
183 1 17 GLY H 1 17 GLY HA3 2.400 . 3.100 2.479 2.416 2.526 . 0 0 "[ . 1 . 2]" 1
184 1 17 GLY H 1 18 GLY H 3.500 . 5.000 4.140 3.850 4.309 . 0 0 "[ . 1 . 2]" 1
185 1 17 GLY HA2 1 18 GLY H 2.700 . 3.600 2.943 2.792 3.152 . 0 0 "[ . 1 . 2]" 1
186 1 17 GLY HA2 1 20 LEU MD1 2.900 . 4.000 1.857 1.765 2.160 0.035 16 0 "[ . 1 . 2]" 1
187 1 17 GLY HA2 1 20 LEU MD2 3.300 . 4.600 2.388 2.057 2.761 . 0 0 "[ . 1 . 2]" 1
188 1 17 GLY HA3 1 18 GLY H 2.500 . 3.300 2.279 2.160 2.386 . 0 0 "[ . 1 . 2]" 1
189 1 17 GLY HA3 1 20 LEU MD1 4.500 . 6.000 2.839 2.611 3.075 . 0 0 "[ . 1 . 2]" 1
190 1 17 GLY HA3 1 20 LEU MD2 4.900 . 6.000 3.959 3.663 4.302 . 0 0 "[ . 1 . 2]" 1
191 1 18 GLY H 1 18 GLY HA2 2.700 . 3.600 2.389 2.318 2.486 . 0 0 "[ . 1 . 2]" 1
192 1 18 GLY H 1 18 GLY HA3 2.800 . 3.700 2.934 2.883 2.963 . 0 0 "[ . 1 . 2]" 1
193 1 18 GLY H 1 20 LEU MD1 3.700 . 5.400 3.180 2.988 3.718 . 0 0 "[ . 1 . 2]" 1
194 1 18 GLY H 1 20 LEU MD2 4.200 . 6.000 4.279 3.912 4.894 . 0 0 "[ . 1 . 2]" 1
195 1 18 GLY H 1 20 LEU HG 3.400 . 6.000 3.136 2.809 3.751 . 0 0 "[ . 1 . 2]" 1
196 1 18 GLY HA2 1 19 GLU H 2.500 . 3.300 3.311 3.084 3.417 0.117 18 0 "[ . 1 . 2]" 1
197 1 18 GLY HA3 1 19 GLU H 3.200 . 4.500 2.156 2.125 2.205 . 0 0 "[ . 1 . 2]" 1
198 1 19 GLU H 1 19 GLU HA 2.800 . 3.800 2.893 2.871 2.919 . 0 0 "[ . 1 . 2]" 1
199 1 19 GLU H 1 19 GLU QB 2.500 . 6.000 2.464 2.295 2.746 . 0 0 "[ . 1 . 2]" 1
200 1 19 GLU H 1 19 GLU QG 3.300 . 4.700 2.718 1.897 4.108 0.003 8 0 "[ . 1 . 2]" 1
201 1 19 GLU H 1 20 LEU H 3.700 . 5.400 3.883 3.746 4.259 . 0 0 "[ . 1 . 2]" 1
202 1 19 GLU H 1 20 LEU MD2 4.000 . 6.000 4.471 4.276 4.758 . 0 0 "[ . 1 . 2]" 1
203 1 19 GLU H 1 20 LEU HG 4.000 . 6.000 4.143 3.895 4.349 . 0 0 "[ . 1 . 2]" 1
204 1 19 GLU H 1 31 HIS HD2 3.200 . 4.500 3.479 2.867 4.127 . 0 0 "[ . 1 . 2]" 1
205 1 19 GLU HA 1 19 GLU QB 3.000 . 4.100 2.354 2.180 2.456 . 0 0 "[ . 1 . 2]" 1
206 1 19 GLU HA 1 19 GLU QG 2.700 . 3.600 2.730 2.376 3.383 . 0 0 "[ . 1 . 2]" 1
207 1 19 GLU HA 1 20 LEU H 2.200 . 2.800 2.336 2.164 2.410 . 0 0 "[ . 1 . 2]" 1
208 1 19 GLU QB 1 20 LEU H 3.700 . 6.000 3.892 3.823 4.057 . 0 0 "[ . 1 . 2]" 1
209 1 19 GLU QB 1 31 HIS HD2 3.800 . 6.000 3.174 2.314 4.921 . 0 0 "[ . 1 . 2]" 1
210 1 20 LEU H 1 20 LEU HA 2.900 . 3.900 2.924 2.905 2.953 . 0 0 "[ . 1 . 2]" 1
211 1 20 LEU H 1 20 LEU HB2 2.600 . 3.400 2.433 2.354 2.635 . 0 0 "[ . 1 . 2]" 1
212 1 20 LEU H 1 20 LEU HB3 3.800 . 5.600 3.653 3.605 3.786 . 0 0 "[ . 1 . 2]" 1
213 1 20 LEU H 1 20 LEU MD1 4.300 . 6.000 3.862 3.710 4.109 . 0 0 "[ . 1 . 2]" 1
214 1 20 LEU H 1 20 LEU MD2 4.000 . 6.000 3.725 3.585 3.946 . 0 0 "[ . 1 . 2]" 1
215 1 20 LEU H 1 20 LEU HG 2.600 . 6.000 2.839 2.622 3.169 . 0 0 "[ . 1 . 2]" 1
216 1 20 LEU H 1 21 ILE H 4.400 . 6.000 4.517 4.439 4.560 . 0 0 "[ . 1 . 2]" 1
217 1 20 LEU HA 1 20 LEU HB3 2.600 . 3.500 2.504 2.485 2.532 . 0 0 "[ . 1 . 2]" 1
218 1 20 LEU HA 1 20 LEU MD1 4.300 . 6.000 3.837 3.810 3.863 . 0 0 "[ . 1 . 2]" 1
219 1 20 LEU HA 1 20 LEU MD2 2.200 . 2.800 1.961 1.891 2.028 . 0 0 "[ . 1 . 2]" 1
220 1 20 LEU HA 1 20 LEU HG 3.200 . 4.500 3.027 2.922 3.097 . 0 0 "[ . 1 . 2]" 1
221 1 20 LEU HA 1 21 ILE H 2.300 . 3.000 2.214 2.153 2.264 . 0 0 "[ . 1 . 2]" 1
222 1 20 LEU HA 1 21 ILE MG 3.900 . 5.800 3.560 3.319 3.702 . 0 0 "[ . 1 . 2]" 1
223 1 20 LEU HA 1 29 ALA MB 3.900 . 5.800 4.071 3.780 4.570 . 0 0 "[ . 1 . 2]" 1
224 1 20 LEU HB2 1 20 LEU MD1 2.700 . 3.600 2.316 2.265 2.345 . 0 0 "[ . 1 . 2]" 1
225 1 20 LEU HB2 1 20 LEU MD2 3.500 . 5.000 3.190 3.183 3.198 . 0 0 "[ . 1 . 2]" 1
226 1 20 LEU HB2 1 29 ALA MB 3.100 . 4.300 3.441 3.072 3.915 . 0 0 "[ . 1 . 2]" 1
227 1 20 LEU HB2 1 30 PHE H 3.100 . 6.000 5.164 4.997 5.602 . 0 0 "[ . 1 . 2]" 1
228 1 20 LEU HB3 1 20 LEU MD1 2.500 . 3.300 2.368 2.321 2.422 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU HB3 1 20 LEU MD2 2.600 . 3.500 2.335 2.295 2.378 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU HB3 1 21 ILE H 2.900 . 6.000 2.755 2.652 2.916 . 0 0 "[ . 1 . 2]" 1
231 1 20 LEU HB3 1 29 ALA MB 2.200 . 2.800 2.099 1.744 2.632 . 0 0 "[ . 1 . 2]" 1
232 1 20 LEU HB3 1 30 PHE H 3.200 . 4.500 3.427 3.257 3.862 . 0 0 "[ . 1 . 2]" 1
233 1 20 LEU MD1 1 20 LEU MD2 2.100 . 2.600 2.083 2.076 2.090 . 0 0 "[ . 1 . 2]" 1
234 1 20 LEU MD1 1 20 LEU HG 2.100 . 2.700 2.124 2.120 2.128 . 0 0 "[ . 1 . 2]" 1
235 1 20 LEU MD1 1 29 ALA MB 2.100 . 2.700 2.238 1.916 2.554 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU MD2 1 20 LEU HG 2.100 . 2.700 2.126 2.122 2.129 . 0 0 "[ . 1 . 2]" 1
237 1 20 LEU MD2 1 29 ALA MB 2.800 . 3.800 2.646 2.304 2.925 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU MD2 1 30 PHE H 3.900 . 5.800 3.272 2.980 3.553 . 0 0 "[ . 1 . 2]" 1
239 1 20 LEU MD2 1 30 PHE HA 2.900 . 3.900 3.257 3.032 3.530 . 0 0 "[ . 1 . 2]" 1
240 1 20 LEU MD2 1 31 HIS H 3.100 . 4.300 3.641 3.336 4.016 . 0 0 "[ . 1 . 2]" 1
241 1 20 LEU MD2 1 31 HIS HA 2.600 . 3.500 3.064 2.842 3.183 . 0 0 "[ . 1 . 2]" 1
242 1 20 LEU MD2 1 31 HIS HD2 2.500 . 3.300 2.924 2.697 3.291 . 0 0 "[ . 1 . 2]" 1
243 1 20 LEU MD2 1 31 HIS HE1 3.200 . 4.400 3.061 2.709 3.370 . 0 0 "[ . 1 . 2]" 1
244 1 20 LEU MD2 1 32 LEU H 3.500 . 5.000 4.996 4.844 5.077 0.077 13 0 "[ . 1 . 2]" 1
245 1 20 LEU HG 1 31 HIS HD2 4.400 . 6.000 4.266 3.876 4.601 . 0 0 "[ . 1 . 2]" 1
246 1 21 ILE H 1 21 ILE HB 3.100 . 4.300 3.241 3.141 3.342 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE H 1 21 ILE MD 4.400 . 6.000 4.673 4.591 4.717 . 0 0 "[ . 1 . 2]" 1
248 1 21 ILE H 1 21 ILE HG12 3.500 . 5.100 4.360 4.309 4.410 . 0 0 "[ . 1 . 2]" 1
249 1 21 ILE H 1 21 ILE HG13 3.800 . 5.600 4.765 4.706 4.791 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE H 1 21 ILE MG 2.900 . 3.900 2.114 2.036 2.180 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE H 1 22 CYS H 4.400 . 6.000 4.215 4.099 4.307 . 0 0 "[ . 1 . 2]" 1
252 1 21 ILE H 1 30 PHE H 2.900 . 3.900 2.627 2.415 2.920 . 0 0 "[ . 1 . 2]" 1
253 1 21 ILE HA 1 21 ILE HB 2.400 . 3.100 2.406 2.374 2.433 . 0 0 "[ . 1 . 2]" 1
254 1 21 ILE HA 1 21 ILE MD 3.900 . 5.800 3.826 3.791 3.855 . 0 0 "[ . 1 . 2]" 1
255 1 21 ILE HA 1 21 ILE HG12 2.900 . 4.000 3.181 3.150 3.264 . 0 0 "[ . 1 . 2]" 1
256 1 21 ILE HA 1 21 ILE HG13 3.100 . 4.300 2.618 2.546 2.677 . 0 0 "[ . 1 . 2]" 1
257 1 21 ILE HA 1 21 ILE MG 2.800 . 3.800 3.216 3.192 3.228 . 0 0 "[ . 1 . 2]" 1
258 1 21 ILE HA 1 22 CYS H 2.200 . 2.800 2.167 2.151 2.188 . 0 0 "[ . 1 . 2]" 1
259 1 21 ILE HA 1 42 ILE MD 3.600 . 5.300 4.441 2.981 5.334 0.034 15 0 "[ . 1 . 2]" 1
260 1 21 ILE HB 1 21 ILE MD 2.600 . 3.400 2.427 2.409 2.451 . 0 0 "[ . 1 . 2]" 1
261 1 21 ILE HB 1 21 ILE HG12 2.800 . 3.800 3.026 3.022 3.029 . 0 0 "[ . 1 . 2]" 1
262 1 21 ILE HB 1 21 ILE HG13 2.700 . 3.600 2.521 2.439 2.550 . 0 0 "[ . 1 . 2]" 1
263 1 21 ILE HB 1 21 ILE MG 2.300 . 2.900 2.124 2.119 2.129 . 0 0 "[ . 1 . 2]" 1
264 1 21 ILE HB 1 22 CYS H 3.900 . 5.800 4.283 4.220 4.331 . 0 0 "[ . 1 . 2]" 1
265 1 21 ILE HB 1 32 LEU QD 3.100 . 4.300 3.212 2.837 3.733 . 0 0 "[ . 1 . 2]" 1
266 1 21 ILE MD 1 21 ILE HG12 2.400 . 3.100 2.118 2.114 2.121 . 0 0 "[ . 1 . 2]" 1
267 1 21 ILE MD 1 21 ILE HG13 2.400 . 3.100 2.091 2.083 2.125 . 0 0 "[ . 1 . 2]" 1
268 1 21 ILE MD 1 21 ILE MG 2.200 . 2.800 1.927 1.887 1.979 . 0 0 "[ . 1 . 2]" 1
269 1 21 ILE MD 1 22 CYS H 4.800 . 6.000 4.578 4.442 4.695 . 0 0 "[ . 1 . 2]" 1
270 1 21 ILE MD 1 32 LEU HA 3.800 . 5.600 4.770 4.205 5.030 . 0 0 "[ . 1 . 2]" 1
271 1 21 ILE MD 1 32 LEU QD 2.400 . 3.100 2.949 2.470 3.108 0.008 9 0 "[ . 1 . 2]" 1
272 1 21 ILE MD 1 42 ILE HA 3.300 . 4.700 2.988 2.501 3.663 . 0 0 "[ . 1 . 2]" 1
273 1 21 ILE MD 1 42 ILE MG 2.900 . 3.900 2.232 1.890 2.823 0.010 4 0 "[ . 1 . 2]" 1
274 1 21 ILE MD 1 43 PRO HD2 2.800 . 3.800 2.066 1.745 2.666 0.055 18 0 "[ . 1 . 2]" 1
275 1 21 ILE MD 1 43 PRO HD3 3.300 . 4.700 3.135 2.793 3.682 . 0 0 "[ . 1 . 2]" 1
276 1 21 ILE MD 1 43 PRO HG2 2.900 . 4.000 3.062 2.379 3.778 . 0 0 "[ . 1 . 2]" 1
277 1 21 ILE MD 1 43 PRO HG3 3.600 . 5.300 3.893 3.239 4.595 . 0 0 "[ . 1 . 2]" 1
278 1 21 ILE MD 1 47 TRP HB2 3.300 . 4.600 2.832 2.506 3.382 . 0 0 "[ . 1 . 2]" 1
279 1 21 ILE MD 1 47 TRP HB3 3.400 . 4.800 2.918 2.554 3.282 . 0 0 "[ . 1 . 2]" 1
280 1 21 ILE MD 1 47 TRP HD1 3.600 . 5.200 3.814 3.468 4.349 . 0 0 "[ . 1 . 2]" 1
281 1 21 ILE MD 1 47 TRP HE1 3.800 . 5.600 4.115 3.640 4.561 . 0 0 "[ . 1 . 2]" 1
282 1 21 ILE MD 1 47 TRP HE3 3.300 . 4.600 3.505 3.334 3.839 . 0 0 "[ . 1 . 2]" 1
283 1 21 ILE MD 1 47 TRP HH2 3.400 . 4.900 4.786 4.266 4.930 0.030 13 0 "[ . 1 . 2]" 1
284 1 21 ILE MD 1 47 TRP HZ2 3.300 . 4.700 4.443 3.973 4.713 0.013 18 0 "[ . 1 . 2]" 1
285 1 21 ILE MD 1 47 TRP HZ3 4.200 . 6.000 4.447 4.125 4.722 . 0 0 "[ . 1 . 2]" 1
286 1 21 ILE HG12 1 21 ILE MG 2.700 . 3.600 2.411 2.370 2.442 . 0 0 "[ . 1 . 2]" 1
287 1 21 ILE HG12 1 22 CYS H 3.400 . 4.900 3.362 3.169 3.595 . 0 0 "[ . 1 . 2]" 1
288 1 21 ILE HG13 1 21 ILE MG 2.900 . 4.000 3.235 3.209 3.246 . 0 0 "[ . 1 . 2]" 1
289 1 21 ILE HG13 1 22 CYS H 3.600 . 5.200 3.238 3.083 3.364 . 0 0 "[ . 1 . 2]" 1
290 1 21 ILE HG13 1 47 TRP HE3 4.100 . 6.000 4.343 4.121 4.840 . 0 0 "[ . 1 . 2]" 1
291 1 21 ILE MG 1 22 CYS H 3.800 . 6.000 4.173 4.080 4.235 . 0 0 "[ . 1 . 2]" 1
292 1 21 ILE MG 1 30 PHE H 3.300 . 4.600 3.027 2.776 3.214 . 0 0 "[ . 1 . 2]" 1
293 1 21 ILE MG 1 30 PHE HA 3.900 . 5.800 4.530 4.314 4.682 . 0 0 "[ . 1 . 2]" 1
294 1 21 ILE MG 1 30 PHE HB2 3.200 . 4.500 2.810 2.370 3.217 . 0 0 "[ . 1 . 2]" 1
295 1 21 ILE MG 1 30 PHE HB3 3.600 . 5.200 4.019 3.625 4.489 . 0 0 "[ . 1 . 2]" 1
296 1 21 ILE MG 1 30 PHE QD 3.100 . 4.300 3.685 3.348 3.900 . 0 0 "[ . 1 . 2]" 1
297 1 21 ILE MG 1 32 LEU HA 3.400 . 4.800 3.412 2.834 3.747 . 0 0 "[ . 1 . 2]" 1
298 1 21 ILE MG 1 42 ILE HA 3.600 . 5.200 4.566 4.172 5.210 0.010 1 0 "[ . 1 . 2]" 1
299 1 21 ILE MG 1 42 ILE HG13 3.000 . 6.000 5.382 4.596 6.032 0.032 15 0 "[ . 1 . 2]" 1
300 1 21 ILE MG 1 43 PRO HD2 3.800 . 5.600 4.353 3.710 5.027 . 0 0 "[ . 1 . 2]" 1
301 1 21 ILE MG 1 43 PRO HD3 3.600 . 5.200 4.845 4.385 5.507 0.307 16 0 "[ . 1 . 2]" 1
302 1 21 ILE MG 1 47 TRP HE1 3.700 . 6.000 5.211 4.574 5.738 . 0 0 "[ . 1 . 2]" 1
303 1 21 ILE MG 1 47 TRP HE3 3.400 . 4.800 4.177 3.871 4.800 . 0 0 "[ . 1 . 2]" 1
304 1 21 ILE MG 1 47 TRP HH2 3.700 . 5.400 3.844 3.501 4.296 . 0 0 "[ . 1 . 2]" 1
305 1 21 ILE MG 1 47 TRP HZ2 4.200 . 6.000 4.394 3.798 4.848 . 0 0 "[ . 1 . 2]" 1
306 1 21 ILE MG 1 47 TRP HZ3 3.300 . 4.600 3.635 3.321 4.194 . 0 0 "[ . 1 . 2]" 1
307 1 22 CYS H 1 22 CYS HB2 3.200 . 4.500 3.211 2.486 3.627 . 0 0 "[ . 1 . 2]" 1
308 1 22 CYS H 1 22 CYS HB3 2.600 . 3.500 2.935 2.374 3.636 0.136 20 0 "[ . 1 . 2]" 1
309 1 22 CYS HA 1 22 CYS HB2 2.700 . 3.600 2.599 2.409 3.031 . 0 0 "[ . 1 . 2]" 1
310 1 22 CYS HA 1 22 CYS HB3 2.900 . 3.900 2.560 2.361 3.033 . 0 0 "[ . 1 . 2]" 1
311 1 22 CYS HA 1 29 ALA HA 2.300 . 2.900 2.142 1.812 2.540 . 0 0 "[ . 1 . 2]" 1
312 1 22 CYS HA 1 29 ALA MB 2.800 . 3.800 3.071 2.607 3.565 . 0 0 "[ . 1 . 2]" 1
313 1 22 CYS HA 1 30 PHE H 4.000 . 6.000 3.581 3.229 4.013 . 0 0 "[ . 1 . 2]" 1
314 1 22 CYS HA 1 30 PHE QD 3.700 . 5.400 4.325 3.714 5.067 . 0 0 "[ . 1 . 2]" 1
315 1 23 CYS H 1 23 CYS HB2 2.700 . 3.600 2.597 2.476 2.870 . 0 0 "[ . 1 . 2]" 1
316 1 23 CYS H 1 23 CYS HB3 2.500 . 3.300 2.535 2.431 3.512 0.212 8 0 "[ . 1 . 2]" 1
317 1 23 CYS H 1 24 ASP H 4.000 . 6.000 4.579 4.497 4.617 . 0 0 "[ . 1 . 2]" 1
318 1 23 CYS H 1 29 ALA HA 4.100 . 6.000 3.461 3.198 3.856 . 0 0 "[ . 1 . 2]" 1
319 1 23 CYS H 1 29 ALA MB 4.200 . 6.000 4.532 4.076 4.996 . 0 0 "[ . 1 . 2]" 1
320 1 23 CYS H 1 47 TRP HE3 3.300 . 4.700 3.698 3.326 4.195 . 0 0 "[ . 1 . 2]" 1
321 1 23 CYS H 1 47 TRP HZ3 3.500 . 5.000 3.142 2.702 4.175 . 0 0 "[ . 1 . 2]" 1
322 1 23 CYS HA 1 23 CYS HB2 2.900 . 3.900 2.465 2.416 3.004 . 0 0 "[ . 1 . 2]" 1
323 1 23 CYS HA 1 23 CYS HB3 3.000 . 4.100 2.990 2.348 3.072 . 0 0 "[ . 1 . 2]" 1
324 1 23 CYS HA 1 47 TRP HE3 2.300 . 3.000 1.841 1.675 2.068 . 0 0 "[ . 1 . 2]" 1
325 1 23 CYS HA 1 47 TRP HZ3 3.100 . 4.300 3.202 2.672 3.478 . 0 0 "[ . 1 . 2]" 1
326 1 23 CYS HA 1 48 ARG HA 3.100 . 4.300 3.963 3.547 4.325 0.025 1 0 "[ . 1 . 2]" 1
327 1 23 CYS HA 1 49 CYS H 3.900 . 5.800 4.262 4.065 4.528 . 0 0 "[ . 1 . 2]" 1
328 1 23 CYS HB2 1 24 ASP H 4.300 . 6.000 3.931 3.609 4.071 . 0 0 "[ . 1 . 2]" 1
329 1 23 CYS HB2 1 26 CYS H 3.500 . 5.100 3.838 2.497 4.306 . 0 0 "[ . 1 . 2]" 1
330 1 23 CYS HB2 1 28 ARG H 3.900 . 5.800 5.017 4.060 5.635 . 0 0 "[ . 1 . 2]" 1
331 1 23 CYS HB2 1 47 TRP HE3 3.900 . 5.800 3.199 2.868 4.740 . 0 0 "[ . 1 . 2]" 1
332 1 23 CYS HB2 1 47 TRP HZ3 3.500 . 5.000 2.499 2.020 4.668 . 0 0 "[ . 1 . 2]" 1
333 1 23 CYS HB3 1 24 ASP H 3.500 . 5.000 3.831 2.734 4.060 . 0 0 "[ . 1 . 2]" 1
334 1 23 CYS HB3 1 26 CYS H 3.200 . 4.500 2.546 2.247 3.490 . 0 0 "[ . 1 . 2]" 1
335 1 23 CYS HB3 1 30 PHE QE 3.600 . 5.200 4.291 3.313 5.231 0.031 8 0 "[ . 1 . 2]" 1
336 1 23 CYS HB3 1 47 TRP HE3 4.800 . 6.000 4.359 3.965 4.606 . 0 0 "[ . 1 . 2]" 1
337 1 23 CYS HB3 1 47 TRP HZ3 3.700 . 5.400 3.962 3.634 4.323 . 0 0 "[ . 1 . 2]" 1
338 1 23 CYS HB3 1 49 CYS HB2 4.300 . 6.000 5.393 5.039 5.882 . 0 0 "[ . 1 . 2]" 1
339 1 23 CYS HB3 1 49 CYS HB3 3.500 . 5.000 3.952 3.568 4.438 . 0 0 "[ . 1 . 2]" 1
340 1 24 ASP H 1 24 ASP HB2 2.700 . 3.600 2.591 2.317 3.587 . 0 0 "[ . 1 . 2]" 1
341 1 24 ASP H 1 24 ASP HB3 2.900 . 4.000 2.912 2.126 3.651 . 0 0 "[ . 1 . 2]" 1
342 1 24 ASP H 1 25 GLY H 2.900 . 3.900 2.638 2.336 3.294 . 0 0 "[ . 1 . 2]" 1
343 1 24 ASP H 1 47 TRP HE3 4.300 . 6.000 3.626 3.308 3.982 . 0 0 "[ . 1 . 2]" 1
344 1 24 ASP H 1 47 TRP HZ3 4.500 . 6.000 5.294 4.736 5.631 . 0 0 "[ . 1 . 2]" 1
345 1 24 ASP H 1 48 ARG HA 3.000 . 4.100 3.354 2.859 3.703 . 0 0 "[ . 1 . 2]" 1
346 1 24 ASP H 1 48 ARG QG 3.700 . 5.400 4.006 3.120 4.500 . 0 0 "[ . 1 . 2]" 1
347 1 24 ASP HA 1 24 ASP HB2 2.400 . 3.100 2.627 2.294 3.017 . 0 0 "[ . 1 . 2]" 1
348 1 24 ASP HA 1 24 ASP HB3 2.800 . 3.800 2.881 2.580 3.073 . 0 0 "[ . 1 . 2]" 1
349 1 24 ASP HA 1 25 GLY H 3.700 . 5.400 3.416 3.213 3.585 . 0 0 "[ . 1 . 2]" 1
350 1 24 ASP HB2 1 25 GLY H 3.900 . 6.000 3.771 3.259 4.377 . 0 0 "[ . 1 . 2]" 1
351 1 24 ASP HB2 1 46 THR HB 3.300 . 4.600 3.076 2.490 3.651 . 0 0 "[ . 1 . 2]" 1
352 1 24 ASP HB2 1 46 THR MG 2.900 . 3.900 3.251 2.521 4.117 0.217 16 0 "[ . 1 . 2]" 1
353 1 24 ASP HB2 1 47 TRP H 3.200 . 6.000 3.008 2.512 3.761 . 0 0 "[ . 1 . 2]" 1
354 1 24 ASP HB3 1 25 GLY H 3.700 . 5.400 3.263 2.019 4.272 . 0 0 "[ . 1 . 2]" 1
355 1 24 ASP HB3 1 46 THR HB 3.600 . 5.200 3.309 2.850 4.140 . 0 0 "[ . 1 . 2]" 1
356 1 24 ASP HB3 1 46 THR MG 3.200 . 4.500 3.525 2.554 4.485 . 0 0 "[ . 1 . 2]" 1
357 1 24 ASP HB3 1 47 TRP H 4.200 . 6.000 3.973 2.232 4.717 . 0 0 "[ . 1 . 2]" 1
358 1 24 ASP HB3 1 48 ARG QG 3.700 . 4.900 3.851 2.080 5.438 0.538 11 2 "[ - 1+ . 2]" 1
359 1 25 GLY H 1 25 GLY HA2 2.600 . 3.500 2.929 2.813 2.956 . 0 0 "[ . 1 . 2]" 1
360 1 25 GLY H 1 26 CYS H 2.400 . 3.100 2.202 1.754 2.718 . 0 0 "[ . 1 . 2]" 1
361 1 25 GLY H 1 48 ARG HA 3.900 . 5.800 3.880 3.285 5.180 . 0 0 "[ . 1 . 2]" 1
362 1 25 GLY H 1 48 ARG QG 3.700 . 5.400 3.913 2.714 4.638 . 0 0 "[ . 1 . 2]" 1
363 1 25 GLY HA2 1 26 CYS H 3.200 . 4.500 3.443 3.139 3.522 . 0 0 "[ . 1 . 2]" 1
364 1 25 GLY HA3 1 26 CYS H 3.500 . 6.000 2.994 2.826 3.402 . 0 0 "[ . 1 . 2]" 1
365 1 26 CYS H 1 26 CYS HA 3.000 . 4.100 2.942 2.934 2.950 . 0 0 "[ . 1 . 2]" 1
366 1 26 CYS H 1 26 CYS HB2 3.500 . 5.100 2.740 2.501 3.804 . 0 0 "[ . 1 . 2]" 1
367 1 26 CYS H 1 26 CYS HB3 3.900 . 5.800 3.701 2.911 3.816 . 0 0 "[ . 1 . 2]" 1
368 1 26 CYS HA 1 26 CYS HB2 2.800 . 3.800 2.966 2.377 3.033 . 0 0 "[ . 1 . 2]" 1
369 1 26 CYS HA 1 26 CYS HB3 2.600 . 3.400 2.488 2.432 2.562 . 0 0 "[ . 1 . 2]" 1
370 1 26 CYS HA 1 27 PRO HD2 2.500 . 3.300 2.493 1.960 3.084 . 0 0 "[ . 1 . 2]" 1
371 1 26 CYS HA 1 27 PRO HD3 2.600 . 3.400 2.067 1.749 2.427 0.051 18 0 "[ . 1 . 2]" 1
372 1 26 CYS HA 1 27 PRO HG2 4.600 . 6.000 4.380 4.161 4.607 . 0 0 "[ . 1 . 2]" 1
373 1 26 CYS HA 1 27 PRO HG3 4.500 . 6.000 4.220 3.905 4.563 . 0 0 "[ . 1 . 2]" 1
374 1 26 CYS HB2 1 27 PRO HD2 3.500 . 5.000 4.117 2.010 4.934 . 0 0 "[ . 1 . 2]" 1
375 1 26 CYS HB2 1 27 PRO HD3 3.500 . 5.000 4.587 2.922 5.119 0.119 7 0 "[ . 1 . 2]" 1
376 1 26 CYS HB3 1 27 PRO HD2 3.100 . 4.300 3.014 2.449 4.033 . 0 0 "[ . 1 . 2]" 1
377 1 26 CYS HB3 1 27 PRO HD3 3.500 . 5.100 3.832 2.979 4.439 . 0 0 "[ . 1 . 2]" 1
378 1 27 PRO HA 1 27 PRO HB2 2.600 . 3.500 2.848 2.707 2.973 . 0 0 "[ . 1 . 2]" 1
379 1 27 PRO HA 1 27 PRO HB3 2.700 . 3.600 2.209 2.200 2.217 . 0 0 "[ . 1 . 2]" 1
380 1 27 PRO HA 1 27 PRO HG2 3.500 . 5.100 3.935 3.852 4.061 . 0 0 "[ . 1 . 2]" 1
381 1 27 PRO HB2 1 27 PRO HD2 3.600 . 5.200 3.453 2.921 4.055 . 0 0 "[ . 1 . 2]" 1
382 1 27 PRO HB2 1 27 PRO HD3 3.900 . 5.800 3.925 3.887 3.972 . 0 0 "[ . 1 . 2]" 1
383 1 27 PRO HB2 1 27 PRO HG3 3.000 . 4.100 2.802 2.613 2.962 . 0 0 "[ . 1 . 2]" 1
384 1 27 PRO HB3 1 27 PRO HD2 3.800 . 5.600 3.887 3.872 3.908 . 0 0 "[ . 1 . 2]" 1
385 1 27 PRO HB3 1 27 PRO HD3 3.100 . 4.300 3.588 2.962 4.096 . 0 0 "[ . 1 . 2]" 1
386 1 27 PRO HD3 1 27 PRO HG2 3.000 . 4.100 2.835 2.686 3.015 . 0 0 "[ . 1 . 2]" 1
387 1 27 PRO HD3 1 27 PRO HG3 2.700 . 3.600 2.392 2.354 2.415 . 0 0 "[ . 1 . 2]" 1
388 1 28 ARG H 1 28 ARG HB2 2.400 . 6.000 2.448 2.173 2.631 . 0 0 "[ . 1 . 2]" 1
389 1 28 ARG H 1 28 ARG HB3 3.700 . 6.000 3.602 3.517 3.646 . 0 0 "[ . 1 . 2]" 1
390 1 28 ARG H 1 28 ARG HD2 3.800 . 6.000 4.459 3.697 4.979 . 0 0 "[ . 1 . 2]" 1
391 1 28 ARG H 1 28 ARG HD3 4.100 . 6.000 4.610 3.820 5.113 . 0 0 "[ . 1 . 2]" 1
392 1 28 ARG H 1 28 ARG HG2 2.800 . 3.800 3.077 2.188 4.153 0.353 17 0 "[ . 1 . 2]" 1
393 1 28 ARG H 1 28 ARG HG3 3.300 . 4.700 2.823 2.027 3.801 . 0 0 "[ . 1 . 2]" 1
394 1 28 ARG H 1 30 PHE HZ 4.600 . 6.000 5.768 5.373 6.016 0.016 11 0 "[ . 1 . 2]" 1
395 1 28 ARG HA 1 28 ARG HB3 2.600 . 3.400 2.534 2.426 2.760 . 0 0 "[ . 1 . 2]" 1
396 1 28 ARG HA 1 28 ARG HG2 2.700 . 6.000 2.632 2.335 2.926 . 0 0 "[ . 1 . 2]" 1
397 1 28 ARG HA 1 28 ARG HG3 3.000 . 4.100 3.338 2.565 3.823 . 0 0 "[ . 1 . 2]" 1
398 1 28 ARG HA 1 29 ALA H 2.300 . 3.000 2.168 2.115 2.268 . 0 0 "[ . 1 . 2]" 1
399 1 28 ARG HA 1 29 ALA MB 3.800 . 5.600 3.977 3.888 4.061 . 0 0 "[ . 1 . 2]" 1
400 1 28 ARG HB2 1 28 ARG HD2 3.300 . 4.600 3.073 2.356 4.054 . 0 0 "[ . 1 . 2]" 1
401 1 28 ARG HB2 1 28 ARG HD3 3.900 . 5.800 3.531 2.969 4.240 . 0 0 "[ . 1 . 2]" 1
402 1 28 ARG HB2 1 28 ARG HG3 2.200 . 6.000 2.439 2.277 2.571 . 0 0 "[ . 1 . 2]" 1
403 1 28 ARG HB2 1 29 ALA MB 3.600 . 6.000 5.452 5.251 5.681 . 0 0 "[ . 1 . 2]" 1
404 1 28 ARG HB2 1 30 PHE QE 3.400 . 4.800 2.786 2.329 3.380 . 0 0 "[ . 1 . 2]" 1
405 1 28 ARG HB2 1 30 PHE HZ 3.600 . 5.200 3.427 2.978 3.997 . 0 0 "[ . 1 . 2]" 1
406 1 28 ARG HB3 1 28 ARG HD2 3.300 . 4.600 2.690 2.258 3.464 . 0 0 "[ . 1 . 2]" 1
407 1 28 ARG HB3 1 28 ARG HD3 3.100 . 4.300 2.975 2.206 3.681 . 0 0 "[ . 1 . 2]" 1
408 1 28 ARG HB3 1 29 ALA H 2.900 . 4.000 3.155 2.806 3.425 . 0 0 "[ . 1 . 2]" 1
409 1 28 ARG HB3 1 30 PHE QE 3.400 . 4.800 2.928 2.057 3.759 . 0 0 "[ . 1 . 2]" 1
410 1 28 ARG HB3 1 30 PHE HZ 3.100 . 4.300 2.857 2.334 3.552 . 0 0 "[ . 1 . 2]" 1
411 1 28 ARG HD2 1 28 ARG HG3 2.900 . 4.000 2.618 2.284 3.010 . 0 0 "[ . 1 . 2]" 1
412 1 28 ARG HD2 1 30 PHE HZ 3.100 . 4.300 3.113 2.500 4.327 0.027 4 0 "[ . 1 . 2]" 1
413 1 28 ARG HD3 1 28 ARG HG2 3.000 . 6.000 2.502 2.399 3.041 . 0 0 "[ . 1 . 2]" 1
414 1 28 ARG HD3 1 28 ARG HG3 3.000 . 4.100 2.856 2.432 3.056 . 0 0 "[ . 1 . 2]" 1
415 1 28 ARG HD3 1 30 PHE HZ 3.100 . 4.300 3.799 2.042 4.414 0.114 20 0 "[ . 1 . 2]" 1
416 1 29 ALA H 1 29 ALA MB 2.700 . 3.600 2.410 2.346 2.522 . 0 0 "[ . 1 . 2]" 1
417 1 29 ALA H 1 30 PHE H 3.800 . 5.600 4.482 4.423 4.522 . 0 0 "[ . 1 . 2]" 1
418 1 29 ALA HA 1 29 ALA MB 2.100 . 2.700 2.130 2.125 2.136 . 0 0 "[ . 1 . 2]" 1
419 1 29 ALA HA 1 30 PHE H 2.700 . 3.600 2.280 2.209 2.347 . 0 0 "[ . 1 . 2]" 1
420 1 29 ALA HA 1 30 PHE QD 2.700 . 3.600 3.538 3.382 3.631 0.031 18 0 "[ . 1 . 2]" 1
421 1 29 ALA HA 1 30 PHE QE 3.400 . 4.900 4.593 4.392 4.838 . 0 0 "[ . 1 . 2]" 1
422 1 29 ALA MB 1 30 PHE H 2.800 . 6.000 2.588 2.453 2.762 . 0 0 "[ . 1 . 2]" 1
423 1 29 ALA MB 1 30 PHE HA 3.600 . 6.000 3.991 3.922 4.034 . 0 0 "[ . 1 . 2]" 1
424 1 29 ALA MB 1 30 PHE QD 3.800 . 5.600 4.612 4.527 4.673 . 0 0 "[ . 1 . 2]" 1
425 1 29 ALA MB 1 31 HIS H 3.400 . 6.000 5.533 5.441 5.616 . 0 0 "[ . 1 . 2]" 1
426 1 30 PHE H 1 30 PHE HB2 3.400 . 4.800 2.858 2.766 2.987 . 0 0 "[ . 1 . 2]" 1
427 1 30 PHE H 1 30 PHE HB3 3.600 . 5.200 3.913 3.858 3.972 . 0 0 "[ . 1 . 2]" 1
428 1 30 PHE H 1 30 PHE QD 2.800 . 3.800 3.313 3.181 3.411 . 0 0 "[ . 1 . 2]" 1
429 1 30 PHE HA 1 30 PHE HB2 2.800 . 3.700 3.028 3.019 3.035 . 0 0 "[ . 1 . 2]" 1
430 1 30 PHE HA 1 30 PHE HB3 2.700 . 3.600 2.459 2.392 2.534 . 0 0 "[ . 1 . 2]" 1
431 1 30 PHE HA 1 30 PHE QD 2.700 . 3.600 2.783 2.715 2.883 . 0 0 "[ . 1 . 2]" 1
432 1 30 PHE HA 1 30 PHE QE 4.000 . 6.000 4.641 4.571 4.747 . 0 0 "[ . 1 . 2]" 1
433 1 30 PHE HA 1 31 HIS H 2.400 . 3.100 2.357 2.331 2.404 . 0 0 "[ . 1 . 2]" 1
434 1 30 PHE HA 1 35 LEU QD 3.400 . 4.900 4.216 3.870 4.790 . 0 0 "[ . 1 . 2]" 1
435 1 30 PHE HB2 1 30 PHE QD 2.300 . 3.000 2.321 2.304 2.355 . 0 0 "[ . 1 . 2]" 1
436 1 30 PHE HB2 1 31 HIS H 3.100 . 4.300 3.674 3.455 3.761 . 0 0 "[ . 1 . 2]" 1
437 1 30 PHE HB2 1 35 LEU QD 2.600 . 3.500 2.261 2.009 2.768 . 0 0 "[ . 1 . 2]" 1
438 1 30 PHE HB2 1 35 LEU HG 3.600 . 6.000 4.345 2.775 5.816 . 0 0 "[ . 1 . 2]" 1
439 1 30 PHE HB3 1 30 PHE QD 2.400 . 3.100 2.450 2.416 2.475 . 0 0 "[ . 1 . 2]" 1
440 1 30 PHE HB3 1 31 HIS H 3.200 . 4.500 2.555 2.457 2.706 . 0 0 "[ . 1 . 2]" 1
441 1 30 PHE HB3 1 35 LEU QD 2.800 . 3.800 2.331 1.957 2.871 0.043 14 0 "[ . 1 . 2]" 1
442 1 30 PHE HB3 1 35 LEU HG 3.900 . 5.800 4.270 2.466 5.489 . 0 0 "[ . 1 . 2]" 1
443 1 30 PHE QD 1 31 HIS H 4.400 . 6.000 3.797 3.507 3.988 . 0 0 "[ . 1 . 2]" 1
444 1 30 PHE QD 1 35 LEU QD 3.800 . 3.800 2.852 2.437 3.134 . 0 0 "[ . 1 . 2]" 1
445 1 30 PHE QD 1 47 TRP HH2 2.500 . 3.300 2.380 1.804 3.295 . 0 0 "[ . 1 . 2]" 1
446 1 30 PHE QD 1 47 TRP HZ3 2.700 . 3.600 2.374 1.920 2.882 . 0 0 "[ . 1 . 2]" 1
447 1 30 PHE QD 1 49 CYS HB3 3.700 . 5.500 3.548 3.099 3.955 . 0 0 "[ . 1 . 2]" 1
448 1 30 PHE QE 1 35 LEU QD 3.300 . 4.700 3.783 3.453 4.011 . 0 0 "[ . 1 . 2]" 1
449 1 30 PHE QE 1 47 TRP HH2 3.200 . 4.500 3.597 2.963 4.156 . 0 0 "[ . 1 . 2]" 1
450 1 30 PHE QE 1 47 TRP HZ3 2.700 . 3.600 3.462 2.995 3.630 0.030 3 0 "[ . 1 . 2]" 1
451 1 30 PHE QE 1 49 CYS HB2 2.800 . 3.800 2.996 2.226 3.760 . 0 0 "[ . 1 . 2]" 1
452 1 30 PHE QE 1 49 CYS HB3 2.700 . 3.600 2.723 2.342 3.144 . 0 0 "[ . 1 . 2]" 1
453 1 30 PHE HZ 1 49 CYS HB3 4.000 . 6.000 4.651 4.168 5.157 . 0 0 "[ . 1 . 2]" 1
454 1 31 HIS H 1 31 HIS HB2 2.600 . 3.500 2.405 2.332 2.466 . 0 0 "[ . 1 . 2]" 1
455 1 31 HIS H 1 31 HIS HB3 4.000 . 6.000 3.635 3.580 3.677 . 0 0 "[ . 1 . 2]" 1
456 1 31 HIS H 1 32 LEU H 4.000 . 6.000 4.549 4.501 4.580 . 0 0 "[ . 1 . 2]" 1
457 1 31 HIS HA 1 31 HIS HB3 2.700 . 3.600 2.545 2.500 2.653 . 0 0 "[ . 1 . 2]" 1
458 1 31 HIS HA 1 31 HIS HD2 2.800 . 3.800 2.847 2.599 3.076 . 0 0 "[ . 1 . 2]" 1
459 1 31 HIS HA 1 32 LEU H 2.300 . 3.000 2.328 2.288 2.383 . 0 0 "[ . 1 . 2]" 1
460 1 31 HIS HA 1 33 ALA H 4.200 . 6.000 4.786 4.697 4.841 . 0 0 "[ . 1 . 2]" 1
461 1 31 HIS HA 1 34 CYS H 4.300 . 6.000 4.599 4.492 4.703 . 0 0 "[ . 1 . 2]" 1
462 1 31 HIS HB2 1 31 HIS HD2 3.800 . 5.600 3.944 3.923 3.953 . 0 0 "[ . 1 . 2]" 1
463 1 31 HIS HB2 1 34 CYS H 3.000 . 4.100 2.991 2.762 3.260 . 0 0 "[ . 1 . 2]" 1
464 1 31 HIS HB3 1 31 HIS HD2 3.000 . 4.100 2.952 2.837 3.087 . 0 0 "[ . 1 . 2]" 1
465 1 31 HIS HB3 1 32 LEU H 2.900 . 4.000 2.627 2.463 2.735 . 0 0 "[ . 1 . 2]" 1
466 1 31 HIS HB3 1 33 ALA H 2.800 . 3.800 3.361 3.240 3.467 . 0 0 "[ . 1 . 2]" 1
467 1 31 HIS HB3 1 34 CYS H 3.000 . 4.100 3.210 2.948 3.666 . 0 0 "[ . 1 . 2]" 1
468 1 31 HIS HD2 1 32 LEU H 3.600 . 5.300 3.857 3.485 4.030 . 0 0 "[ . 1 . 2]" 1
469 1 32 LEU H 1 32 LEU HA 2.700 . 3.600 2.773 2.755 2.791 . 0 0 "[ . 1 . 2]" 1
470 1 32 LEU H 1 32 LEU HB2 2.200 . 2.800 2.482 2.061 2.551 . 0 0 "[ . 1 . 2]" 1
471 1 32 LEU H 1 32 LEU HB3 3.100 . 4.300 3.523 2.715 3.608 . 0 0 "[ . 1 . 2]" 1
472 1 32 LEU H 1 32 LEU QD 3.600 . 5.200 3.014 2.916 3.544 . 0 0 "[ . 1 . 2]" 1
473 1 32 LEU H 1 33 ALA H 2.900 . 3.900 2.986 2.942 3.052 . 0 0 "[ . 1 . 2]" 1
474 1 32 LEU HA 1 32 LEU HB2 2.700 . 3.600 2.975 2.544 3.017 . 0 0 "[ . 1 . 2]" 1
475 1 32 LEU HA 1 32 LEU HB3 2.800 . 3.700 2.524 2.447 3.020 . 0 0 "[ . 1 . 2]" 1
476 1 32 LEU HA 1 32 LEU QD 2.800 . 2.900 1.957 1.826 2.014 . 0 0 "[ . 1 . 2]" 1
477 1 32 LEU HA 1 32 LEU HG 3.100 . 4.300 3.083 2.751 3.154 . 0 0 "[ . 1 . 2]" 1
478 1 32 LEU HA 1 33 ALA H 3.300 . 6.000 3.596 3.581 3.606 . 0 0 "[ . 1 . 2]" 1
479 1 32 LEU HA 1 35 LEU H 3.500 . 5.000 3.945 3.782 4.158 . 0 0 "[ . 1 . 2]" 1
480 1 32 LEU HA 1 35 LEU QD 3.400 . 4.800 3.219 2.273 4.543 . 0 0 "[ . 1 . 2]" 1
481 1 32 LEU HA 1 39 LEU QB 3.100 . 4.300 2.551 2.167 3.212 . 0 0 "[ . 1 . 2]" 1
482 1 32 LEU HA 1 39 LEU HG 3.000 . 4.100 3.931 3.502 4.201 0.101 3 0 "[ . 1 . 2]" 1
483 1 32 LEU HB2 1 32 LEU QD 2.600 . 2.700 2.270 2.105 2.301 . 0 0 "[ . 1 . 2]" 1
484 1 32 LEU HB2 1 33 ALA H 2.700 . 3.600 2.426 2.256 3.582 . 0 0 "[ . 1 . 2]" 1
485 1 32 LEU HB3 1 32 LEU QD 2.600 . 3.100 2.120 2.095 2.280 . 0 0 "[ . 1 . 2]" 1
486 1 32 LEU HB3 1 33 ALA H 2.600 . 6.000 3.236 2.237 3.405 . 0 0 "[ . 1 . 2]" 1
487 1 32 LEU MD1 1 32 LEU MD2 2.100 . 2.700 2.087 2.082 2.095 . 0 0 "[ . 1 . 2]" 1
488 1 32 LEU QD 1 33 ALA H 4.500 . 6.000 3.925 3.754 3.980 . 0 0 "[ . 1 . 2]" 1
489 1 32 LEU QD 1 39 LEU QB 2.400 . 3.100 2.142 1.753 2.715 . 0 0 "[ . 1 . 2]" 1
490 1 32 LEU QD 1 40 ARG HA 3.400 . 4.900 3.809 3.461 4.216 . 0 0 "[ . 1 . 2]" 1
491 1 32 LEU QD 1 41 GLU H 3.400 . 4.800 3.410 2.925 4.028 . 0 0 "[ . 1 . 2]" 1
492 1 32 LEU QD 1 41 GLU HA 2.700 . 3.600 2.547 2.029 3.364 . 0 0 "[ . 1 . 2]" 1
493 1 32 LEU QD 1 42 ILE H 3.600 . 6.000 2.965 2.630 3.769 . 0 0 "[ . 1 . 2]" 1
494 1 32 LEU QD 1 42 ILE HA 2.600 . 3.400 2.578 2.088 3.234 . 0 0 "[ . 1 . 2]" 1
495 1 32 LEU QD 1 42 ILE HB 4.300 . 6.000 3.859 3.590 4.677 . 0 0 "[ . 1 . 2]" 1
496 1 32 LEU QD 1 42 ILE HG12 3.000 . 4.200 1.946 1.662 3.071 0.138 6 0 "[ . 1 . 2]" 1
497 1 32 LEU QD 1 42 ILE HG13 3.100 . 4.300 2.212 1.823 3.746 0.077 5 0 "[ . 1 . 2]" 1
498 1 32 LEU QD 1 43 PRO HD2 3.300 . 4.600 3.762 3.173 4.225 . 0 0 "[ . 1 . 2]" 1
499 1 32 LEU QD 1 43 PRO HD3 3.100 . 4.700 3.329 2.677 4.064 . 0 0 "[ . 1 . 2]" 1
500 1 33 ALA H 1 33 ALA HA 2.700 . 3.600 2.861 2.815 2.889 . 0 0 "[ . 1 . 2]" 1
501 1 33 ALA H 1 34 CYS H 2.800 . 3.700 2.530 2.413 2.658 . 0 0 "[ . 1 . 2]" 1
502 1 33 ALA H 1 35 LEU H 4.000 . 6.000 4.175 4.023 4.370 . 0 0 "[ . 1 . 2]" 1
503 1 33 ALA HA 1 33 ALA MB 1.900 . 2.400 2.125 2.121 2.129 . 0 0 "[ . 1 . 2]" 1
504 1 33 ALA HA 1 38 PRO HB2 2.600 . 3.400 2.795 2.012 3.404 0.004 11 0 "[ . 1 . 2]" 1
505 1 33 ALA HA 1 38 PRO HB3 2.700 . 3.600 2.195 1.756 2.782 0.044 8 0 "[ . 1 . 2]" 1
506 1 33 ALA MB 1 34 CYS H 3.200 . 4.500 3.024 2.915 3.384 . 0 0 "[ . 1 . 2]" 1
507 1 33 ALA MB 1 38 PRO HB2 3.700 . 6.000 3.806 3.219 4.385 . 0 0 "[ . 1 . 2]" 1
508 1 34 CYS H 1 34 CYS HA 3.000 . 4.100 2.865 2.844 2.914 . 0 0 "[ . 1 . 2]" 1
509 1 34 CYS H 1 34 CYS HB2 2.900 . 6.000 2.446 2.340 2.508 . 0 0 "[ . 1 . 2]" 1
510 1 34 CYS H 1 34 CYS HB3 3.300 . 4.600 3.628 3.578 3.679 . 0 0 "[ . 1 . 2]" 1
511 1 34 CYS H 1 35 LEU H 2.300 . 3.000 2.430 2.183 2.506 . 0 0 "[ . 1 . 2]" 1
512 1 34 CYS H 1 35 LEU HB2 4.000 . 6.000 4.396 4.151 4.620 . 0 0 "[ . 1 . 2]" 1
513 1 34 CYS HA 1 34 CYS HB2 2.700 . 3.600 3.023 3.014 3.026 . 0 0 "[ . 1 . 2]" 1
514 1 34 CYS HA 1 34 CYS HB3 2.700 . 3.600 2.531 2.462 2.575 . 0 0 "[ . 1 . 2]" 1
515 1 34 CYS HA 1 35 LEU H 3.100 . 6.000 3.442 3.397 3.508 . 0 0 "[ . 1 . 2]" 1
516 1 34 CYS HB3 1 35 LEU H 3.500 . 5.000 3.998 3.637 4.121 . 0 0 "[ . 1 . 2]" 1
517 1 35 LEU H 1 35 LEU HA 2.900 . 3.900 2.817 2.791 2.846 . 0 0 "[ . 1 . 2]" 1
518 1 35 LEU H 1 35 LEU HB2 2.200 . 2.800 2.245 2.041 2.423 . 0 0 "[ . 1 . 2]" 1
519 1 35 LEU H 1 35 LEU HB3 3.200 . 4.500 3.266 2.614 3.588 . 0 0 "[ . 1 . 2]" 1
520 1 35 LEU H 1 35 LEU QD 3.700 . 5.400 3.048 2.207 3.659 . 0 0 "[ . 1 . 2]" 1
521 1 35 LEU H 1 36 SER H 4.400 . 6.000 4.632 4.595 4.673 . 0 0 "[ . 1 . 2]" 1
522 1 35 LEU H 1 38 PRO HB2 4.400 . 6.000 5.511 4.793 6.018 0.018 13 0 "[ . 1 . 2]" 1
523 1 35 LEU H 1 39 LEU H 3.900 . 5.800 3.891 3.473 4.614 . 0 0 "[ . 1 . 2]" 1
524 1 35 LEU HA 1 35 LEU HB2 2.700 . 3.600 2.844 2.521 3.013 . 0 0 "[ . 1 . 2]" 1
525 1 35 LEU HA 1 35 LEU HB3 2.600 . 3.400 2.753 2.500 3.028 . 0 0 "[ . 1 . 2]" 1
526 1 35 LEU HA 1 35 LEU QD 2.200 . 2.800 1.929 1.786 2.116 0.114 19 0 "[ . 1 . 2]" 1
527 1 35 LEU HA 1 36 SER H 2.400 . 3.100 2.307 2.251 2.362 . 0 0 "[ . 1 . 2]" 1
528 1 35 LEU HB2 1 35 LEU QD 3.000 . 3.800 2.235 2.093 2.370 . 0 0 "[ . 1 . 2]" 1
529 1 35 LEU HB2 1 36 SER H 3.700 . 5.400 4.036 3.809 4.283 . 0 0 "[ . 1 . 2]" 1
530 1 35 LEU HB2 1 38 PRO HA 2.700 . 3.600 2.960 2.084 4.124 0.524 18 1 "[ . 1 . + 2]" 1
531 1 35 LEU HB3 1 35 LEU QD 2.800 . 3.800 2.216 2.082 2.357 . 0 0 "[ . 1 . 2]" 1
532 1 35 LEU HB3 1 36 SER H 2.800 . 3.800 3.017 2.531 3.805 0.005 4 0 "[ . 1 . 2]" 1
533 1 35 LEU HB3 1 38 PRO HA 3.000 . 4.100 2.892 1.925 3.801 . 0 0 "[ . 1 . 2]" 1
534 1 35 LEU MD1 1 35 LEU MD2 2.100 . 2.600 2.084 2.077 2.091 . 0 0 "[ . 1 . 2]" 1
535 1 35 LEU QD 1 36 SER H 3.500 . 5.000 2.557 1.572 3.203 0.428 1 0 "[ . 1 . 2]" 1
536 1 35 LEU QD 1 38 PRO HA 3.800 . 5.600 3.861 3.112 4.287 . 0 0 "[ . 1 . 2]" 1
537 1 35 LEU QD 1 47 TRP HH2 2.500 . 3.300 2.094 1.681 2.398 0.219 8 0 "[ . 1 . 2]" 1
538 1 35 LEU QD 1 47 TRP HZ2 2.500 . 3.100 2.035 1.656 2.581 0.044 9 0 "[ . 1 . 2]" 1
539 1 35 LEU QD 1 47 TRP HZ3 4.400 . 6.000 3.855 3.381 4.290 . 0 0 "[ . 1 . 2]" 1
540 1 35 LEU QD 1 49 CYS HA 3.500 . 5.000 3.558 3.097 4.252 . 0 0 "[ . 1 . 2]" 1
541 1 36 SER H 1 36 SER HB2 3.000 . 4.200 3.147 2.678 3.752 . 0 0 "[ . 1 . 2]" 1
542 1 36 SER H 1 36 SER HB3 3.200 . 4.500 3.238 2.692 3.862 . 0 0 "[ . 1 . 2]" 1
543 1 36 SER HA 1 36 SER HB2 2.500 . 3.300 2.673 2.432 3.035 . 0 0 "[ . 1 . 2]" 1
544 1 36 SER HA 1 36 SER HB3 2.500 . 3.300 2.751 2.367 3.071 . 0 0 "[ . 1 . 2]" 1
545 1 36 SER HA 1 37 PRO HA 2.200 . 2.800 2.034 1.944 2.115 . 0 0 "[ . 1 . 2]" 1
546 1 36 SER HB2 1 37 PRO HA 3.900 . 5.800 4.171 3.487 4.570 . 0 0 "[ . 1 . 2]" 1
547 1 36 SER HB3 1 37 PRO HA 4.000 . 6.000 4.096 3.333 4.729 . 0 0 "[ . 1 . 2]" 1
548 1 37 PRO HA 1 37 PRO HB3 2.600 . 3.400 2.215 2.202 2.223 . 0 0 "[ . 1 . 2]" 1
549 1 37 PRO HA 1 37 PRO HG2 3.800 . 5.700 3.852 3.826 4.018 . 0 0 "[ . 1 . 2]" 1
550 1 37 PRO HA 1 38 PRO HD2 2.400 . 3.100 2.572 2.130 2.918 . 0 0 "[ . 1 . 2]" 1
551 1 37 PRO HA 1 38 PRO HD3 2.400 . 3.100 1.996 1.761 2.341 . 0 0 "[ . 1 . 2]" 1
552 1 37 PRO HB2 1 37 PRO HD2 3.600 . 6.000 3.988 2.955 4.058 . 0 0 "[ . 1 . 2]" 1
553 1 37 PRO HB2 1 37 PRO HD3 3.500 . 6.000 3.936 3.912 3.970 . 0 0 "[ . 1 . 2]" 1
554 1 37 PRO HB2 1 37 PRO HG2 2.500 . 6.000 2.322 2.312 2.328 . 0 0 "[ . 1 . 2]" 1
555 1 37 PRO HB2 1 38 PRO HD2 3.100 . 4.300 2.928 2.498 3.327 . 0 0 "[ . 1 . 2]" 1
556 1 37 PRO HB3 1 37 PRO HG3 2.400 . 3.100 2.327 2.259 2.341 . 0 0 "[ . 1 . 2]" 1
557 1 37 PRO HB3 1 38 PRO HD2 3.100 . 4.300 3.339 2.593 3.652 . 0 0 "[ . 1 . 2]" 1
558 1 37 PRO HD2 1 37 PRO HG2 2.600 . 3.400 2.302 2.292 2.331 . 0 0 "[ . 1 . 2]" 1
559 1 37 PRO HD2 1 37 PRO HG3 3.000 . 4.100 2.776 2.747 3.040 . 0 0 "[ . 1 . 2]" 1
560 1 37 PRO HD3 1 37 PRO HG2 2.800 . 3.800 2.984 2.687 3.011 . 0 0 "[ . 1 . 2]" 1
561 1 37 PRO HD3 1 37 PRO HG3 2.600 . 3.400 2.365 2.348 2.416 . 0 0 "[ . 1 . 2]" 1
562 1 38 PRO HA 1 38 PRO HB2 2.400 . 3.100 2.846 2.687 2.970 . 0 0 "[ . 1 . 2]" 1
563 1 38 PRO HA 1 38 PRO HB3 2.300 . 2.900 2.210 2.201 2.224 . 0 0 "[ . 1 . 2]" 1
564 1 38 PRO HA 1 38 PRO HG2 3.200 . 4.500 3.931 3.848 4.023 . 0 0 "[ . 1 . 2]" 1
565 1 38 PRO HA 1 39 LEU H 2.200 . 6.000 2.150 2.115 2.208 . 0 0 "[ . 1 . 2]" 1
566 1 38 PRO HB2 1 38 PRO HD2 3.600 . 5.200 3.450 2.945 4.051 . 0 0 "[ . 1 . 2]" 1
567 1 38 PRO HB2 1 38 PRO HD3 3.500 . 5.000 3.929 3.896 3.988 . 0 0 "[ . 1 . 2]" 1
568 1 38 PRO HB2 1 39 LEU H 3.400 . 4.800 3.634 3.164 4.121 . 0 0 "[ . 1 . 2]" 1
569 1 38 PRO HB3 1 38 PRO HD3 3.200 . 4.500 3.595 2.977 4.086 . 0 0 "[ . 1 . 2]" 1
570 1 38 PRO QD 1 39 LEU H 3.300 . 6.000 4.944 4.834 5.013 . 0 0 "[ . 1 . 2]" 1
571 1 38 PRO HD2 1 38 PRO HG2 2.400 . 3.100 2.312 2.281 2.324 . 0 0 "[ . 1 . 2]" 1
572 1 38 PRO HD3 1 38 PRO HG2 2.900 . 4.000 2.836 2.688 3.021 . 0 0 "[ . 1 . 2]" 1
573 1 39 LEU H 1 39 LEU QB 2.500 . 6.000 2.395 2.196 2.508 . 0 0 "[ . 1 . 2]" 1
574 1 39 LEU H 1 39 LEU QD 4.100 . 5.000 3.254 3.027 3.756 . 0 0 "[ . 1 . 2]" 1
575 1 39 LEU H 1 39 LEU HG 2.500 . 6.000 2.830 2.248 4.471 . 0 0 "[ . 1 . 2]" 1
576 1 39 LEU HA 1 39 LEU QB 2.500 . 3.300 2.355 2.324 2.393 . 0 0 "[ . 1 . 2]" 1
577 1 39 LEU HA 1 39 LEU QD 2.100 . 2.700 2.040 1.936 2.118 . 0 0 "[ . 1 . 2]" 1
578 1 39 LEU HA 1 39 LEU HG 3.000 . 4.100 3.170 3.106 3.297 . 0 0 "[ . 1 . 2]" 1
579 1 39 LEU HA 1 40 ARG H 2.500 . 3.300 2.214 2.158 2.281 . 0 0 "[ . 1 . 2]" 1
580 1 39 LEU QB 1 39 LEU QD 2.500 . 2.800 1.941 1.930 1.961 . 0 0 "[ . 1 . 2]" 1
581 1 39 LEU QB 1 39 LEU HG 2.100 . 2.600 2.352 2.303 2.378 . 0 0 "[ . 1 . 2]" 1
582 1 39 LEU QB 1 40 ARG H 3.100 . 6.000 3.007 2.606 3.725 . 0 0 "[ . 1 . 2]" 1
583 1 39 LEU QD 1 40 ARG H 4.000 . 6.000 3.197 2.010 3.555 . 0 0 "[ . 1 . 2]" 1
584 1 39 LEU QD 1 41 GLU H 4.000 . 6.000 3.739 2.584 4.193 . 0 0 "[ . 1 . 2]" 1
585 1 39 LEU QD 1 42 ILE HA 2.800 . 3.800 3.460 2.661 3.757 . 0 0 "[ . 1 . 2]" 1
586 1 39 LEU QD 1 43 PRO HD2 3.100 . 4.300 3.046 2.420 3.564 . 0 0 "[ . 1 . 2]" 1
587 1 39 LEU QD 1 47 TRP HD1 3.500 . 5.000 3.464 2.905 4.102 . 0 0 "[ . 1 . 2]" 1
588 1 39 LEU QD 1 47 TRP HE1 2.600 . 6.000 2.324 1.954 2.933 . 0 0 "[ . 1 . 2]" 1
589 1 39 LEU HG 1 40 ARG H 3.200 . 6.000 4.641 2.697 5.118 . 0 0 "[ . 1 . 2]" 1
590 1 40 ARG H 1 40 ARG QB 3.300 . 6.000 2.469 2.236 2.762 . 0 0 "[ . 1 . 2]" 1
591 1 40 ARG H 1 41 GLU H 2.500 . 3.300 2.274 2.029 2.557 . 0 0 "[ . 1 . 2]" 1
592 1 40 ARG HA 1 40 ARG QD 3.400 . 4.900 3.863 1.932 4.538 . 0 0 "[ . 1 . 2]" 1
593 1 40 ARG HA 1 40 ARG QG 3.000 . 4.100 2.761 2.373 3.373 . 0 0 "[ . 1 . 2]" 1
594 1 40 ARG HA 1 41 GLU H 3.400 . 4.900 3.507 3.438 3.572 . 0 0 "[ . 1 . 2]" 1
595 1 40 ARG QB 1 40 ARG QD 3.200 . 6.000 2.287 2.111 2.425 . 0 0 "[ . 1 . 2]" 1
596 1 40 ARG QB 1 41 GLU H 2.900 . 6.000 2.922 2.513 3.623 . 0 0 "[ . 1 . 2]" 1
597 1 40 ARG QG 1 41 GLU H 2.800 . 6.000 3.585 2.191 4.577 . 0 0 "[ . 1 . 2]" 1
598 1 41 GLU H 1 41 GLU HA 2.800 . 3.800 2.924 2.905 2.939 . 0 0 "[ . 1 . 2]" 1
599 1 41 GLU H 1 41 GLU QG 3.100 . 4.300 3.240 2.110 4.299 . 0 0 "[ . 1 . 2]" 1
600 1 41 GLU H 1 42 ILE H 4.000 . 6.000 4.381 4.329 4.420 . 0 0 "[ . 1 . 2]" 1
601 1 41 GLU HA 1 41 GLU QG 2.900 . 3.900 2.882 2.393 3.421 . 0 0 "[ . 1 . 2]" 1
602 1 41 GLU HA 1 42 ILE H 2.200 . 2.800 2.345 2.230 2.485 . 0 0 "[ . 1 . 2]" 1
603 1 41 GLU QB 1 41 GLU QG 2.200 . 2.800 2.066 1.975 2.109 . 0 0 "[ . 1 . 2]" 1
604 1 41 GLU QG 1 42 ILE H 3.000 . 4.100 3.406 2.012 4.259 0.159 12 0 "[ . 1 . 2]" 1
605 1 42 ILE H 1 42 ILE HA 2.800 . 3.800 2.875 2.854 2.909 . 0 0 "[ . 1 . 2]" 1
606 1 42 ILE H 1 42 ILE HB 2.300 . 6.000 2.536 2.475 2.614 . 0 0 "[ . 1 . 2]" 1
607 1 42 ILE H 1 42 ILE MD 3.800 . 5.600 3.620 3.153 3.812 . 0 0 "[ . 1 . 2]" 1
608 1 42 ILE H 1 42 ILE HG12 2.900 . 6.000 3.325 2.020 3.689 . 0 0 "[ . 1 . 2]" 1
609 1 42 ILE H 1 42 ILE HG13 2.600 . 3.500 2.389 2.075 3.550 0.050 17 0 "[ . 1 . 2]" 1
610 1 42 ILE HA 1 42 ILE HB 3.000 . 4.100 3.026 3.018 3.033 . 0 0 "[ . 1 . 2]" 1
611 1 42 ILE HA 1 42 ILE MD 3.400 . 4.900 3.665 2.096 3.881 . 0 0 "[ . 1 . 2]" 1
612 1 42 ILE HA 1 42 ILE HG12 2.700 . 3.600 2.595 2.476 3.116 . 0 0 "[ . 1 . 2]" 1
613 1 42 ILE HA 1 42 ILE HG13 3.000 . 4.100 3.156 3.012 3.782 . 0 0 "[ . 1 . 2]" 1
614 1 42 ILE HA 1 42 ILE MG 2.400 . 3.100 2.389 2.340 2.450 . 0 0 "[ . 1 . 2]" 1
615 1 42 ILE HA 1 43 PRO HD2 2.100 . 2.600 2.328 1.952 2.648 0.048 3 0 "[ . 1 . 2]" 1
616 1 42 ILE HA 1 43 PRO HD3 2.200 . 2.800 2.059 1.774 2.467 . 0 0 "[ . 1 . 2]" 1
617 1 42 ILE HB 1 42 ILE MD 2.600 . 3.400 2.519 2.422 3.240 . 0 0 "[ . 1 . 2]" 1
618 1 42 ILE HB 1 42 ILE HG12 2.800 . 3.800 2.975 2.468 3.035 . 0 0 "[ . 1 . 2]" 1
619 1 42 ILE HB 1 42 ILE HG13 2.900 . 3.900 2.489 2.401 2.552 . 0 0 "[ . 1 . 2]" 1
620 1 42 ILE HB 1 42 ILE MG 2.200 . 2.800 2.129 2.125 2.133 . 0 0 "[ . 1 . 2]" 1
621 1 42 ILE HB 1 43 PRO HD3 4.400 . 6.000 4.835 4.612 5.124 . 0 0 "[ . 1 . 2]" 1
622 1 42 ILE MD 1 42 ILE HG12 2.300 . 2.900 2.118 2.114 2.120 . 0 0 "[ . 1 . 2]" 1
623 1 42 ILE MD 1 42 ILE HG13 2.000 . 2.500 2.108 2.082 2.126 . 0 0 "[ . 1 . 2]" 1
624 1 42 ILE MD 1 42 ILE MG 2.300 . 3.000 1.931 1.902 1.993 . 0 0 "[ . 1 . 2]" 1
625 1 42 ILE HG12 1 42 ILE MG 2.700 . 3.600 2.475 2.358 3.207 . 0 0 "[ . 1 . 2]" 1
626 1 42 ILE MG 1 43 PRO HD2 2.800 . 3.800 2.623 2.332 2.861 . 0 0 "[ . 1 . 2]" 1
627 1 42 ILE MG 1 43 PRO HD3 3.200 . 4.400 3.551 3.337 3.996 . 0 0 "[ . 1 . 2]" 1
628 1 42 ILE MG 1 44 SER HA 3.200 . 4.400 4.125 3.842 4.409 0.009 8 0 "[ . 1 . 2]" 1
629 1 43 PRO HA 1 43 PRO HB2 2.400 . 3.100 2.818 2.681 2.954 . 0 0 "[ . 1 . 2]" 1
630 1 43 PRO HA 1 43 PRO HB3 2.300 . 2.900 2.213 2.202 2.233 . 0 0 "[ . 1 . 2]" 1
631 1 43 PRO HA 1 43 PRO HG2 3.800 . 6.000 3.937 3.845 4.063 . 0 0 "[ . 1 . 2]" 1
632 1 43 PRO HB2 1 43 PRO HG3 3.000 . 4.100 2.788 2.610 2.956 . 0 0 "[ . 1 . 2]" 1
633 1 43 PRO HB2 1 44 SER H 3.300 . 6.000 3.420 2.857 3.847 . 0 0 "[ . 1 . 2]" 1
634 1 43 PRO HB2 1 47 TRP HD1 3.900 . 5.800 4.035 3.343 5.175 . 0 0 "[ . 1 . 2]" 1
635 1 43 PRO HB3 1 44 SER H 3.700 . 6.000 3.577 3.200 3.840 . 0 0 "[ . 1 . 2]" 1
636 1 43 PRO HB3 1 47 TRP HD1 4.000 . 6.000 4.566 3.916 5.320 . 0 0 "[ . 1 . 2]" 1
637 1 43 PRO HD2 1 43 PRO HG2 2.500 . 3.300 2.306 2.264 2.331 . 0 0 "[ . 1 . 2]" 1
638 1 43 PRO HD2 1 43 PRO HG3 2.900 . 3.900 2.908 2.759 3.036 . 0 0 "[ . 1 . 2]" 1
639 1 43 PRO HD3 1 43 PRO HG2 2.900 . 3.900 2.847 2.690 3.034 . 0 0 "[ . 1 . 2]" 1
640 1 43 PRO HD3 1 43 PRO HG3 2.600 . 3.500 2.384 2.344 2.419 . 0 0 "[ . 1 . 2]" 1
641 1 43 PRO QG 1 44 SER H 4.400 . 6.000 4.587 4.301 4.825 . 0 0 "[ . 1 . 2]" 1
642 1 43 PRO HG2 1 47 TRP HD1 3.600 . 5.300 2.996 2.047 3.898 . 0 0 "[ . 1 . 2]" 1
643 1 43 PRO HG3 1 47 TRP HD1 3.000 . 4.100 3.462 2.569 4.349 0.249 18 0 "[ . 1 . 2]" 1
644 1 44 SER H 1 44 SER QB 2.700 . 3.600 2.447 2.278 2.890 . 0 0 "[ . 1 . 2]" 1
645 1 44 SER H 1 45 GLY H 3.300 . 4.600 4.218 3.604 4.586 . 0 0 "[ . 1 . 2]" 1
646 1 44 SER HA 1 44 SER QB 2.300 . 2.900 2.364 2.196 2.410 . 0 0 "[ . 1 . 2]" 1
647 1 44 SER HA 1 45 GLY H 2.600 . 3.400 2.218 2.134 2.481 . 0 0 "[ . 1 . 2]" 1
648 1 44 SER HA 1 45 GLY QA 3.700 . 5.400 3.916 3.883 3.984 . 0 0 "[ . 1 . 2]" 1
649 1 44 SER QB 1 45 GLY H 3.600 . 5.200 3.725 2.835 4.070 . 0 0 "[ . 1 . 2]" 1
650 1 45 GLY H 1 45 GLY QA 2.500 . 6.000 2.434 2.271 2.501 . 0 0 "[ . 1 . 2]" 1
651 1 45 GLY H 1 46 THR H 3.600 . 5.200 4.362 4.197 4.456 . 0 0 "[ . 1 . 2]" 1
652 1 45 GLY QA 1 46 THR H 2.300 . 6.000 2.193 2.104 2.284 . 0 0 "[ . 1 . 2]" 1
653 1 46 THR H 1 46 THR HA 2.900 . 6.000 2.900 2.842 2.954 . 0 0 "[ . 1 . 2]" 1
654 1 46 THR H 1 46 THR HB 2.700 . 6.000 3.624 3.512 3.737 . 0 0 "[ . 1 . 2]" 1
655 1 46 THR H 1 46 THR MG 3.100 . 4.300 2.678 2.407 2.945 . 0 0 "[ . 1 . 2]" 1
656 1 46 THR H 1 47 TRP H 4.100 . 6.000 4.318 3.960 4.471 . 0 0 "[ . 1 . 2]" 1
657 1 46 THR HA 1 46 THR HB 2.000 . 2.500 2.535 2.484 2.611 0.111 5 0 "[ . 1 . 2]" 1
658 1 46 THR HA 1 46 THR MG 2.300 . 3.000 2.277 2.201 2.349 . 0 0 "[ . 1 . 2]" 1
659 1 46 THR HA 1 47 TRP H 2.400 . 6.000 2.149 2.103 2.302 . 0 0 "[ . 1 . 2]" 1
660 1 46 THR HB 1 46 THR MG 2.200 . 2.800 2.133 2.130 2.137 . 0 0 "[ . 1 . 2]" 1
661 1 46 THR HB 1 47 TRP H 3.500 . 6.000 3.592 3.135 4.086 . 0 0 "[ . 1 . 2]" 1
662 1 46 THR MG 1 47 TRP H 3.900 . 5.800 3.947 3.688 4.238 . 0 0 "[ . 1 . 2]" 1
663 1 47 TRP H 1 47 TRP HA 2.300 . 3.000 2.930 2.877 2.950 . 0 0 "[ . 1 . 2]" 1
664 1 47 TRP H 1 47 TRP HB2 2.900 . 3.900 2.880 2.670 2.998 . 0 0 "[ . 1 . 2]" 1
665 1 47 TRP H 1 47 TRP HB3 2.800 . 3.800 2.571 2.428 2.659 . 0 0 "[ . 1 . 2]" 1
666 1 47 TRP HA 1 47 TRP HB2 2.700 . 3.600 2.454 2.420 2.490 . 0 0 "[ . 1 . 2]" 1
667 1 47 TRP HA 1 47 TRP HB3 2.700 . 3.600 3.066 3.030 3.081 . 0 0 "[ . 1 . 2]" 1
668 1 47 TRP HA 1 47 TRP HD1 2.700 . 3.600 2.875 2.760 3.022 . 0 0 "[ . 1 . 2]" 1
669 1 47 TRP HA 1 47 TRP HE3 4.300 . 6.000 4.819 4.606 4.901 . 0 0 "[ . 1 . 2]" 1
670 1 47 TRP HA 1 48 ARG H 2.200 . 2.800 2.244 2.152 2.324 . 0 0 "[ . 1 . 2]" 1
671 1 47 TRP HB2 1 47 TRP HD1 3.200 . 4.500 2.801 2.714 2.846 . 0 0 "[ . 1 . 2]" 1
672 1 47 TRP HB2 1 47 TRP HE3 3.700 . 5.400 3.985 3.932 4.089 . 0 0 "[ . 1 . 2]" 1
673 1 47 TRP HB2 1 48 ARG H 4.200 . 6.000 4.079 3.994 4.278 . 0 0 "[ . 1 . 2]" 1
674 1 47 TRP HB3 1 47 TRP HD1 3.400 . 4.800 3.860 3.832 3.895 . 0 0 "[ . 1 . 2]" 1
675 1 47 TRP HB3 1 47 TRP HE3 3.200 . 4.500 2.425 2.379 2.527 . 0 0 "[ . 1 . 2]" 1
676 1 47 TRP HB3 1 48 ARG H 3.500 . 5.000 4.045 3.905 4.223 . 0 0 "[ . 1 . 2]" 1
677 1 47 TRP HD1 1 48 ARG H 3.500 . 5.000 3.363 3.076 4.011 . 0 0 "[ . 1 . 2]" 1
678 1 47 TRP HE3 1 48 ARG HA 3.600 . 5.200 4.398 3.866 4.668 . 0 0 "[ . 1 . 2]" 1
679 1 47 TRP HE3 1 49 CYS H 4.000 . 6.000 4.558 4.279 4.746 . 0 0 "[ . 1 . 2]" 1
680 1 47 TRP HE3 1 49 CYS HA 3.300 . 6.000 5.099 4.654 5.314 . 0 0 "[ . 1 . 2]" 1
681 1 47 TRP HH2 1 47 TRP HZ3 2.400 . 3.100 2.439 2.435 2.441 . 0 0 "[ . 1 . 2]" 1
682 1 47 TRP HH2 1 49 CYS HA 2.700 . 3.600 3.435 2.929 3.632 0.032 3 0 "[ . 1 . 2]" 1
683 1 47 TRP HH2 1 49 CYS HB2 3.300 . 4.600 3.457 3.288 3.677 . 0 0 "[ . 1 . 2]" 1
684 1 47 TRP HH2 1 49 CYS HB3 3.100 . 4.300 2.891 2.695 3.269 . 0 0 "[ . 1 . 2]" 1
685 1 47 TRP HZ2 1 49 CYS HA 2.700 . 3.600 3.343 3.032 3.640 0.040 3 0 "[ . 1 . 2]" 1
686 1 47 TRP HZ2 1 49 CYS HB2 4.300 . 6.000 4.656 4.309 5.219 . 0 0 "[ . 1 . 2]" 1
687 1 47 TRP HZ3 1 49 CYS HA 3.700 . 5.400 4.362 3.612 4.643 . 0 0 "[ . 1 . 2]" 1
688 1 47 TRP HZ3 1 49 CYS HB2 4.600 . 6.000 4.332 3.790 4.649 . 0 0 "[ . 1 . 2]" 1
689 1 47 TRP HZ3 1 49 CYS HB3 3.200 . 4.500 2.841 2.372 3.134 . 0 0 "[ . 1 . 2]" 1
690 1 48 ARG H 1 48 ARG HA 2.900 . 3.900 2.938 2.922 2.945 . 0 0 "[ . 1 . 2]" 1
691 1 48 ARG H 1 48 ARG QB 2.700 . 6.000 2.589 2.484 2.672 . 0 0 "[ . 1 . 2]" 1
692 1 48 ARG H 1 48 ARG QG 3.900 . 5.800 3.032 2.766 3.271 . 0 0 "[ . 1 . 2]" 1
693 1 48 ARG H 1 49 CYS H 4.200 . 6.000 4.268 4.183 4.328 . 0 0 "[ . 1 . 2]" 1
694 1 48 ARG H 1 53 LEU QD 3.800 . 5.600 4.245 3.583 5.038 . 0 0 "[ . 1 . 2]" 1
695 1 48 ARG HA 1 48 ARG QD 3.900 . 5.800 4.077 3.984 4.288 . 0 0 "[ . 1 . 2]" 1
696 1 48 ARG HA 1 48 ARG QG 2.900 . 3.700 2.445 2.336 2.599 . 0 0 "[ . 1 . 2]" 1
697 1 48 ARG HA 1 49 CYS H 2.400 . 3.100 2.152 2.114 2.180 . 0 0 "[ . 1 . 2]" 1
698 1 48 ARG QB 1 48 ARG QD 3.000 . 4.100 2.179 2.100 2.360 . 0 0 "[ . 1 . 2]" 1
699 1 48 ARG QB 1 49 CYS H 3.400 . 4.800 3.230 3.144 3.334 . 0 0 "[ . 1 . 2]" 1
700 1 48 ARG QB 1 52 CYS HB2 3.200 . 4.500 1.986 1.858 2.318 0.042 7 0 "[ . 1 . 2]" 1
701 1 48 ARG QB 1 52 CYS HB3 3.500 . 5.000 2.542 2.123 2.953 . 0 0 "[ . 1 . 2]" 1
702 1 48 ARG QD 1 53 LEU HA 3.600 . 5.200 4.644 3.870 5.227 0.027 11 0 "[ . 1 . 2]" 1
703 1 48 ARG QD 1 53 LEU MD2 3.000 . 4.100 3.343 2.708 3.873 . 0 0 "[ . 1 . 2]" 1
704 1 48 ARG QG 1 49 CYS H 4.300 . 6.000 4.129 3.959 4.323 . 0 0 "[ . 1 . 2]" 1
705 1 48 ARG QG 1 52 CYS HB2 3.400 . 4.800 3.703 3.270 3.991 . 0 0 "[ . 1 . 2]" 1
706 1 48 ARG QG 1 52 CYS HB3 3.300 . 4.700 3.440 2.942 3.901 . 0 0 "[ . 1 . 2]" 1
707 1 49 CYS H 1 49 CYS HA 3.000 . 4.100 2.875 2.844 2.909 . 0 0 "[ . 1 . 2]" 1
708 1 49 CYS H 1 49 CYS HB2 3.700 . 5.400 3.623 3.601 3.648 . 0 0 "[ . 1 . 2]" 1
709 1 49 CYS H 1 49 CYS HB3 2.600 . 3.500 2.671 2.476 2.831 . 0 0 "[ . 1 . 2]" 1
710 1 49 CYS H 1 52 CYS H 3.900 . 5.800 3.738 3.529 3.917 . 0 0 "[ . 1 . 2]" 1
711 1 49 CYS H 1 52 CYS QB 3.200 . 6.000 3.066 2.820 3.336 . 0 0 "[ . 1 . 2]" 1
712 1 49 CYS HA 1 49 CYS HB2 2.300 . 3.000 2.454 2.387 2.495 . 0 0 "[ . 1 . 2]" 1
713 1 49 CYS HA 1 49 CYS HB3 2.500 . 3.300 2.440 2.391 2.508 . 0 0 "[ . 1 . 2]" 1
714 1 49 CYS HA 1 50 SER H 2.500 . 3.300 2.640 2.527 2.784 . 0 0 "[ . 1 . 2]" 1
715 1 49 CYS HB2 1 50 SER H 2.500 . 3.300 2.026 1.827 2.262 . 0 0 "[ . 1 . 2]" 1
716 1 49 CYS HB2 1 51 SER H 3.600 . 5.200 3.320 3.129 3.597 . 0 0 "[ . 1 . 2]" 1
717 1 49 CYS HB3 1 50 SER H 4.100 . 6.000 3.559 3.428 3.742 . 0 0 "[ . 1 . 2]" 1
718 1 49 CYS HB3 1 51 SER H 4.800 . 6.000 4.699 4.534 4.927 . 0 0 "[ . 1 . 2]" 1
719 1 49 CYS HB3 1 52 CYS H 2.900 . 6.000 4.930 4.595 5.407 . 0 0 "[ . 1 . 2]" 1
720 1 50 SER HA 1 51 SER H 2.500 . 6.000 3.531 3.518 3.548 . 0 0 "[ . 1 . 2]" 1
721 1 50 SER HA 1 53 LEU HB2 2.600 . 6.000 2.559 2.206 2.884 . 0 0 "[ . 1 . 2]" 1
722 1 50 SER HA 1 53 LEU HB3 3.800 . 5.600 4.150 3.772 4.502 . 0 0 "[ . 1 . 2]" 1
723 1 50 SER HA 1 53 LEU MD2 3.000 . 6.000 4.445 4.032 4.991 . 0 0 "[ . 1 . 2]" 1
724 1 50 SER HA 1 53 LEU HG 3.200 . 4.500 3.053 2.521 3.803 . 0 0 "[ . 1 . 2]" 1
725 1 51 SER H 1 51 SER HA 2.800 . 3.800 2.760 2.742 2.791 . 0 0 "[ . 1 . 2]" 1
726 1 51 SER H 1 51 SER QB 2.400 . 3.100 2.505 2.245 2.696 . 0 0 "[ . 1 . 2]" 1
727 1 51 SER H 1 52 CYS H 2.500 . 3.300 2.866 2.790 2.923 . 0 0 "[ . 1 . 2]" 1
728 1 51 SER H 1 52 CYS QB 4.600 . 6.000 4.903 4.811 4.975 . 0 0 "[ . 1 . 2]" 1
729 1 51 SER HA 1 52 CYS H 3.400 . 4.800 3.549 3.534 3.566 . 0 0 "[ . 1 . 2]" 1
730 1 51 SER HA 1 54 GLN H 3.300 . 4.600 3.639 3.366 3.989 . 0 0 "[ . 1 . 2]" 1
731 1 51 SER QB 1 52 CYS H 2.600 . 3.500 2.568 2.366 3.261 . 0 0 "[ . 1 . 2]" 1
732 1 52 CYS H 1 52 CYS HA 2.600 . 6.000 2.830 2.796 2.856 . 0 0 "[ . 1 . 2]" 1
733 1 52 CYS H 1 52 CYS QB 2.500 . 6.000 2.478 2.390 2.570 . 0 0 "[ . 1 . 2]" 1
734 1 52 CYS H 1 53 LEU H 2.600 . 3.400 2.630 2.543 2.814 . 0 0 "[ . 1 . 2]" 1
735 1 52 CYS H 1 54 GLN H 3.800 . 5.600 4.130 3.919 4.362 . 0 0 "[ . 1 . 2]" 1
736 1 52 CYS HA 1 52 CYS HB2 2.800 . 3.800 3.023 3.016 3.028 . 0 0 "[ . 1 . 2]" 1
737 1 52 CYS HA 1 52 CYS HB3 2.600 . 3.400 2.464 2.422 2.571 . 0 0 "[ . 1 . 2]" 1
738 1 52 CYS HA 1 55 ALA H 3.400 . 4.800 3.442 3.054 3.796 . 0 0 "[ . 1 . 2]" 1
739 1 52 CYS HA 1 55 ALA MB 2.800 . 3.800 2.529 2.053 3.076 . 0 0 "[ . 1 . 2]" 1
740 1 52 CYS QB 1 53 LEU H 3.000 . 6.000 2.614 2.449 2.836 . 0 0 "[ . 1 . 2]" 1
741 1 53 LEU H 1 53 LEU HA 2.600 . 6.000 2.827 2.790 2.873 . 0 0 "[ . 1 . 2]" 1
742 1 53 LEU H 1 53 LEU QB 2.400 . 3.100 2.459 2.433 2.505 . 0 0 "[ . 1 . 2]" 1
743 1 53 LEU H 1 53 LEU QD 3.500 . 5.100 3.033 2.952 3.117 . 0 0 "[ . 1 . 2]" 1
744 1 53 LEU H 1 53 LEU HG 2.400 . 3.100 2.253 2.119 2.390 . 0 0 "[ . 1 . 2]" 1
745 1 53 LEU H 1 54 GLN H 2.600 . 3.400 2.615 2.472 2.826 . 0 0 "[ . 1 . 2]" 1
746 1 53 LEU HA 1 53 LEU HB2 2.800 . 3.800 3.019 3.013 3.023 . 0 0 "[ . 1 . 2]" 1
747 1 53 LEU HA 1 53 LEU HB3 2.300 . 3.000 2.462 2.432 2.492 . 0 0 "[ . 1 . 2]" 1
748 1 53 LEU HA 1 53 LEU MD1 3.700 . 5.400 3.857 3.839 3.884 . 0 0 "[ . 1 . 2]" 1
749 1 53 LEU HA 1 53 LEU MD2 2.200 . 2.800 2.013 1.959 2.070 . 0 0 "[ . 1 . 2]" 1
750 1 53 LEU HA 1 53 LEU HG 2.900 . 4.000 3.131 3.066 3.174 . 0 0 "[ . 1 . 2]" 1
751 1 53 LEU HA 1 54 GLN H 2.700 . 3.600 3.515 3.469 3.567 . 0 0 "[ . 1 . 2]" 1
752 1 53 LEU QB 1 54 GLN H 2.900 . 4.000 2.658 2.506 2.868 . 0 0 "[ . 1 . 2]" 1
753 1 53 LEU HB2 1 53 LEU MD1 2.400 . 6.000 2.335 2.315 2.355 . 0 0 "[ . 1 . 2]" 1
754 1 53 LEU HB2 1 53 LEU MD2 3.300 . 4.600 3.197 3.193 3.203 . 0 0 "[ . 1 . 2]" 1
755 1 53 LEU HB3 1 53 LEU MD1 2.400 . 3.100 2.369 2.350 2.390 . 0 0 "[ . 1 . 2]" 1
756 1 53 LEU QD 1 54 GLN H 3.100 . 4.300 4.116 4.040 4.205 . 0 0 "[ . 1 . 2]" 1
757 1 53 LEU MD2 1 53 LEU HG 2.100 . 2.700 2.126 2.123 2.133 . 0 0 "[ . 1 . 2]" 1
758 1 53 LEU MD2 1 56 THR MG 2.600 . 6.000 4.529 2.941 5.860 . 0 0 "[ . 1 . 2]" 1
759 1 53 LEU HG 1 54 GLN H 3.200 . 6.000 4.335 4.191 4.425 . 0 0 "[ . 1 . 2]" 1
760 1 54 GLN H 1 54 GLN HA 2.600 . 3.400 2.883 2.807 2.927 . 0 0 "[ . 1 . 2]" 1
761 1 54 GLN H 1 54 GLN QB 2.400 . 3.100 2.443 2.206 2.797 . 0 0 "[ . 1 . 2]" 1
762 1 54 GLN H 1 54 GLN QG 3.100 . 6.000 3.233 1.980 4.090 . 0 0 "[ . 1 . 2]" 1
763 1 54 GLN HA 1 54 GLN QB 2.400 . 3.100 2.311 2.177 2.431 . 0 0 "[ . 1 . 2]" 1
764 1 54 GLN HA 1 54 GLN QG 2.800 . 3.800 2.879 2.432 3.385 . 0 0 "[ . 1 . 2]" 1
765 1 54 GLN HA 1 55 ALA H 2.700 . 3.600 3.345 3.207 3.522 . 0 0 "[ . 1 . 2]" 1
766 1 54 GLN QB 1 54 GLN QG 2.100 . 2.700 2.091 1.993 2.106 . 0 0 "[ . 1 . 2]" 1
767 1 54 GLN QB 1 55 ALA H 3.100 . 4.300 3.437 2.739 3.918 . 0 0 "[ . 1 . 2]" 1
768 1 54 GLN QG 1 55 ALA HA 3.300 . 4.700 3.886 3.472 4.356 . 0 0 "[ . 1 . 2]" 1
769 1 55 ALA H 1 55 ALA HA 2.700 . 3.600 2.886 2.825 2.941 . 0 0 "[ . 1 . 2]" 1
770 1 55 ALA H 1 55 ALA MB 2.400 . 3.100 2.285 2.235 2.379 . 0 0 "[ . 1 . 2]" 1
771 1 55 ALA H 1 56 THR H 2.900 . 3.900 2.572 2.039 3.511 . 0 0 "[ . 1 . 2]" 1
772 1 55 ALA HA 1 55 ALA MB 2.100 . 2.700 2.130 2.124 2.135 . 0 0 "[ . 1 . 2]" 1
773 1 55 ALA HA 1 56 THR H 2.600 . 3.400 3.274 2.609 3.545 0.145 7 0 "[ . 1 . 2]" 1
774 1 55 ALA HA 1 56 THR MG 2.700 . 6.000 4.918 4.493 5.689 . 0 0 "[ . 1 . 2]" 1
775 1 55 ALA MB 1 56 THR H 3.500 . 5.100 3.010 2.083 3.704 . 0 0 "[ . 1 . 2]" 1
776 1 55 ALA MB 1 56 THR HA 3.200 . 6.000 4.039 3.742 4.159 . 0 0 "[ . 1 . 2]" 1
777 1 55 ALA MB 1 56 THR MG 2.900 . 3.900 3.513 2.823 4.053 0.153 17 0 "[ . 1 . 2]" 1
778 1 56 THR H 1 56 THR HA 3.000 . 4.100 2.899 2.832 2.941 . 0 0 "[ . 1 . 2]" 1
779 1 56 THR H 1 56 THR MG 3.100 . 4.300 2.725 2.217 3.396 . 0 0 "[ . 1 . 2]" 1
780 1 56 THR H 1 57 VAL QG 4.100 . 6.000 4.667 3.880 5.139 . 0 0 "[ . 1 . 2]" 1
781 1 56 THR HA 1 56 THR MG 2.200 . 2.800 2.276 2.141 2.381 . 0 0 "[ . 1 . 2]" 1
782 1 56 THR HA 1 57 VAL H 2.400 . 6.000 2.159 2.109 2.268 . 0 0 "[ . 1 . 2]" 1
783 1 56 THR HB 1 56 THR MG 2.100 . 6.000 2.134 2.132 2.137 . 0 0 "[ . 1 . 2]" 1
784 1 56 THR MG 1 57 VAL H 4.000 . 6.000 3.837 3.082 4.050 . 0 0 "[ . 1 . 2]" 1
785 1 57 VAL H 1 57 VAL HA 2.800 . 3.800 2.905 2.846 2.943 . 0 0 "[ . 1 . 2]" 1
786 1 57 VAL H 1 57 VAL HB 2.700 . 6.000 3.044 2.532 3.764 . 0 0 "[ . 1 . 2]" 1
787 1 57 VAL H 1 57 VAL QG 2.700 . 6.000 2.059 1.742 2.447 . 0 0 "[ . 1 . 2]" 1
788 1 57 VAL H 1 58 GLN H 3.500 . 5.000 4.441 3.987 4.594 . 0 0 "[ . 1 . 2]" 1
789 1 57 VAL HA 1 57 VAL HB 2.400 . 3.100 2.776 2.427 3.027 . 0 0 "[ . 1 . 2]" 1
790 1 57 VAL HA 1 57 VAL QG 2.300 . 2.900 2.191 2.118 2.323 . 0 0 "[ . 1 . 2]" 1
791 1 57 VAL HA 1 58 GLN H 2.300 . 2.900 2.174 2.069 2.490 . 0 0 "[ . 1 . 2]" 1
792 1 57 VAL HA 1 58 GLN QB 3.100 . 6.000 4.442 4.215 4.610 . 0 0 "[ . 1 . 2]" 1
793 1 57 VAL HB 1 57 VAL QG 2.200 . 2.800 1.895 1.892 1.899 . 0 0 "[ . 1 . 2]" 1
794 1 57 VAL HB 1 58 GLN H 3.000 . 4.100 3.662 2.163 4.222 0.122 20 0 "[ . 1 . 2]" 1
795 1 57 VAL QG 1 58 GLN H 3.300 . 4.700 2.908 2.015 3.722 . 0 0 "[ . 1 . 2]" 1
796 1 57 VAL QG 1 58 GLN HA 3.100 . 4.300 3.817 3.452 4.223 . 0 0 "[ . 1 . 2]" 1
797 1 57 VAL QG 1 58 GLN QG 3.000 . 4.100 4.004 3.061 4.314 0.214 7 0 "[ . 1 . 2]" 1
798 1 58 GLN H 1 58 GLN HA 2.800 . 6.000 2.910 2.768 2.949 . 0 0 "[ . 1 . 2]" 1
799 1 58 GLN H 1 58 GLN QB 2.900 . 4.000 2.695 2.444 3.105 . 0 0 "[ . 1 . 2]" 1
800 1 58 GLN H 1 58 GLN QG 3.400 . 6.000 2.464 1.705 3.776 . 0 0 "[ . 1 . 2]" 1
801 1 58 GLN HA 1 58 GLN QB 2.500 . 6.000 2.316 2.170 2.531 . 0 0 "[ . 1 . 2]" 1
802 1 58 GLN HA 1 58 GLN QG 3.000 . 6.000 2.914 2.399 3.510 . 0 0 "[ . 1 . 2]" 1
803 1 59 GLU H 1 59 GLU HA 2.300 . 6.000 2.894 2.839 2.945 . 0 0 "[ . 1 . 2]" 1
804 1 59 GLU HA 1 59 GLU QB 2.400 . 3.100 2.364 2.189 2.450 . 0 0 "[ . 1 . 2]" 1
805 1 59 GLU HA 1 59 GLU QG 3.300 . 4.600 2.591 2.287 3.379 . 0 0 "[ . 1 . 2]" 1
806 1 59 GLU HA 1 60 VAL H 2.400 . 3.100 2.213 2.105 2.348 . 0 0 "[ . 1 . 2]" 1
807 1 59 GLU QB 1 59 GLU QG 2.200 . 6.000 2.084 1.992 2.110 . 0 0 "[ . 1 . 2]" 1
808 1 60 VAL H 1 60 VAL HA 3.000 . 4.100 2.905 2.808 2.950 . 0 0 "[ . 1 . 2]" 1
809 1 60 VAL H 1 60 VAL HB 2.900 . 4.000 3.013 2.515 3.790 . 0 0 "[ . 1 . 2]" 1
810 1 60 VAL H 1 60 VAL QG 3.300 . 6.000 2.108 1.804 2.805 . 0 0 "[ . 1 . 2]" 1
811 1 60 VAL H 1 61 GLN H 3.400 . 4.800 4.356 3.836 4.589 . 0 0 "[ . 1 . 2]" 1
812 1 60 VAL HA 1 60 VAL HB 2.600 . 3.400 2.708 2.446 3.033 . 0 0 "[ . 1 . 2]" 1
813 1 60 VAL HA 1 60 VAL QG 2.300 . 2.900 2.214 2.125 2.300 . 0 0 "[ . 1 . 2]" 1
814 1 60 VAL HA 1 61 GLN H 2.400 . 3.100 2.201 2.101 2.338 . 0 0 "[ . 1 . 2]" 1
815 1 60 VAL HB 1 60 VAL QG 2.100 . 2.700 1.896 1.891 1.899 . 0 0 "[ . 1 . 2]" 1
816 1 60 VAL HB 1 61 GLN H 3.400 . 4.800 3.840 2.591 4.436 . 0 0 "[ . 1 . 2]" 1
817 1 60 VAL QG 1 61 GLN H 3.600 . 5.200 3.000 2.071 3.718 . 0 0 "[ . 1 . 2]" 1
818 1 61 GLN H 1 61 GLN HA 3.000 . 4.100 2.903 2.832 2.949 . 0 0 "[ . 1 . 2]" 1
819 1 61 GLN H 1 61 GLN HB3 3.100 . 4.300 3.123 2.575 3.730 . 0 0 "[ . 1 . 2]" 1
820 1 61 GLN H 1 61 GLN QG 3.600 . 5.200 2.701 1.960 4.153 0.040 13 0 "[ . 1 . 2]" 1
821 1 61 GLN HA 1 61 GLN HB2 2.900 . 3.900 2.700 2.438 3.028 . 0 0 "[ . 1 . 2]" 1
822 1 61 GLN HA 1 61 GLN QG 3.500 . 5.000 2.909 2.360 3.510 . 0 0 "[ . 1 . 2]" 1
823 1 61 GLN HA 1 62 PRO HD2 2.300 . 3.000 2.596 1.903 3.008 0.008 6 0 "[ . 1 . 2]" 1
824 1 61 GLN HA 1 62 PRO HD3 2.300 . 3.000 1.905 1.733 2.460 . 0 0 "[ . 1 . 2]" 1
825 1 61 GLN HB2 1 62 PRO HD2 3.400 . 6.000 3.880 2.525 4.875 . 0 0 "[ . 1 . 2]" 1
826 1 61 GLN HB2 1 62 PRO HD3 3.600 . 6.000 4.130 2.934 5.167 . 0 0 "[ . 1 . 2]" 1
827 1 61 GLN HB3 1 62 PRO HD3 3.400 . 6.000 4.100 3.132 4.845 . 0 0 "[ . 1 . 2]" 1
828 1 61 GLN QG 1 62 PRO HD3 3.500 . 6.000 4.248 2.772 4.887 . 0 0 "[ . 1 . 2]" 1
829 1 62 PRO HA 1 62 PRO QB 2.300 . 3.000 2.146 2.127 2.169 . 0 0 "[ . 1 . 2]" 1
830 1 62 PRO HA 1 62 PRO HD2 3.800 . 5.600 3.940 3.894 4.094 . 0 0 "[ . 1 . 2]" 1
831 1 62 PRO HA 1 62 PRO HD3 3.800 . 6.000 3.829 3.443 3.966 . 0 0 "[ . 1 . 2]" 1
832 1 62 PRO HA 1 62 PRO HG2 3.200 . 4.500 3.990 3.863 4.059 . 0 0 "[ . 1 . 2]" 1
833 1 62 PRO HA 1 62 PRO HG3 3.100 . 4.300 3.256 2.948 4.020 . 0 0 "[ . 1 . 2]" 1
834 1 62 PRO HA 1 63 ARG H 2.400 . 3.100 2.430 2.133 3.237 0.137 11 0 "[ . 1 . 2]" 1
835 1 62 PRO QB 1 62 PRO HD2 3.600 . 5.200 2.982 2.848 3.530 . 0 0 "[ . 1 . 2]" 1
836 1 62 PRO QB 1 62 PRO HD3 3.500 . 5.000 3.467 2.879 3.573 . 0 0 "[ . 1 . 2]" 1
837 1 62 PRO QB 1 62 PRO HG2 1.800 . 2.200 2.202 2.188 2.249 0.049 16 0 "[ . 1 . 2]" 1
838 1 62 PRO QB 1 63 ARG H 4.000 . 6.000 3.403 2.472 3.927 . 0 0 "[ . 1 . 2]" 1
839 1 62 PRO HD2 1 62 PRO HG2 2.200 . 2.800 2.318 2.284 2.332 . 0 0 "[ . 1 . 2]" 1
840 1 62 PRO HD3 1 62 PRO HG2 2.700 . 3.600 2.742 2.685 3.025 . 0 0 "[ . 1 . 2]" 1
841 1 62 PRO HD3 1 62 PRO HG3 2.500 . 3.300 2.404 2.348 2.419 . 0 0 "[ . 1 . 2]" 1
842 1 62 PRO HG2 1 63 ARG H 3.900 . 5.800 5.357 4.626 5.813 0.013 7 0 "[ . 1 . 2]" 1
843 1 63 ARG H 1 63 ARG QB 3.100 . 4.300 2.625 2.242 3.399 . 0 0 "[ . 1 . 2]" 1
844 1 63 ARG HA 1 63 ARG QB 2.900 . 3.900 2.382 2.207 2.454 . 0 0 "[ . 1 . 2]" 1
845 1 63 ARG HA 1 63 ARG QD 3.800 . 5.600 4.037 3.291 4.452 . 0 0 "[ . 1 . 2]" 1
846 1 63 ARG HA 1 63 ARG HG2 2.600 . 3.500 2.808 2.345 3.650 0.150 18 0 "[ . 1 . 2]" 1
847 1 63 ARG HA 1 63 ARG HG3 2.900 . 3.900 2.978 2.406 3.783 . 0 0 "[ . 1 . 2]" 1
848 1 63 ARG QB 1 63 ARG QD 3.400 . 4.800 2.215 2.099 2.642 . 0 0 "[ . 1 . 2]" 1
849 1 63 ARG QB 1 63 ARG HG2 1.600 . 2.200 2.321 2.145 2.441 0.241 4 0 "[ . 1 . 2]" 1
850 1 63 ARG QB 1 63 ARG HG3 2.200 . 2.800 2.374 2.273 2.494 . 0 0 "[ . 1 . 2]" 1
851 1 63 ARG QB 1 64 ALA H 4.200 . 6.000 3.450 2.197 4.063 . 0 0 "[ . 1 . 2]" 1
852 1 63 ARG QD 1 63 ARG HG2 3.000 . 4.100 2.341 2.198 2.408 . 0 0 "[ . 1 . 2]" 1
853 1 63 ARG QD 1 63 ARG HG3 2.500 . 3.300 2.322 2.165 2.423 . 0 0 "[ . 1 . 2]" 1
854 1 64 ALA H 1 64 ALA MB 3.300 . 4.700 2.438 2.233 2.896 . 0 0 "[ . 1 . 2]" 1
855 1 64 ALA HA 1 64 ALA MB 2.300 . 2.900 2.130 2.121 2.139 . 0 0 "[ . 1 . 2]" 1
856 1 65 GLU HA 1 65 GLU QG 2.900 . 3.900 2.777 2.388 3.392 . 0 0 "[ . 1 . 2]" 1
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