NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622576 |
5wbt   |
30314 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5wbt
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 902
_Distance_constraint_stats_list.Viol_count 1617
_Distance_constraint_stats_list.Viol_total 4835.829
_Distance_constraint_stats_list.Viol_max 2.149
_Distance_constraint_stats_list.Viol_rms 0.0791
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0149
_Distance_constraint_stats_list.Viol_average_violations_only 0.1574
_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 PHE 10.673 2.149 4 4 "[ +.* - *. ]"
1 2 VAL 0.361 0.256 17 0 "[ . 1 . ]"
1 3 ASN 0.831 0.125 10 0 "[ . 1 . ]"
1 4 GLN 1.125 0.256 17 0 "[ . 1 . ]"
1 5 HIS 0.443 0.127 5 0 "[ . 1 . ]"
1 6 LEU 1.912 0.378 17 0 "[ . 1 . ]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 9 SER 0.698 0.085 12 0 "[ . 1 . ]"
1 10 HIS 0.514 0.144 17 0 "[ . 1 . ]"
1 11 LEU 8.631 0.378 17 0 "[ . 1 . ]"
1 12 VAL 2.185 0.140 19 0 "[ . 1 . ]"
1 13 GLU 9.191 0.276 8 0 "[ . 1 . ]"
1 14 ALA 10.930 2.149 4 2 "[ +. 1 -. ]"
1 15 LEU 7.759 0.220 3 0 "[ . 1 . ]"
1 16 TYR 20.327 0.375 17 0 "[ . 1 . ]"
1 17 LEU 17.776 0.332 17 0 "[ . 1 . ]"
1 18 VAL 19.657 0.220 3 0 "[ . 1 . ]"
1 19 CYS 3.590 0.173 15 0 "[ . 1 . ]"
1 20 GLY 0.225 0.096 18 0 "[ . 1 . ]"
1 21 GLU 0.438 0.142 8 0 "[ . 1 . ]"
1 22 ARG 3.261 0.350 3 0 "[ . 1 . ]"
1 23 GLY 2.290 0.194 12 0 "[ . 1 . ]"
1 24 PHE 15.953 0.375 17 0 "[ . 1 . ]"
1 25 PHE 0.602 0.130 3 0 "[ . 1 . ]"
1 26 TYR 0.158 0.062 5 0 "[ . 1 . ]"
1 27 THR 7.142 1.401 8 1 "[ . + 1 . ]"
1 28 ASP 20.323 1.559 11 8 "[ * .* **1+* *. -]"
1 29 PRO 9.447 0.829 14 5 "[ *. * * +* ]"
1 30 THR 38.164 1.454 8 15 "[* *****+*-** ** **]"
1 31 GLU 36.172 1.559 11 12 "[* * ** -*1+** .* **]"
1 32 GLU 15.190 1.147 2 11 "[ +* * ***1 -* .** *]"
1 33 GLY 7.211 0.619 5 2 "[ - + 1 . ]"
1 34 PRO 17.957 1.678 15 5 "[ -* 1 * +* ]"
1 35 ARG 6.836 1.867 7 3 "[ . + *- . ]"
1 36 ARG 12.220 1.678 15 6 "[ .* 1 -*+** ]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 38 ILE 2.195 0.266 7 0 "[ . 1 . ]"
1 39 VAL 5.475 0.895 5 2 "[ -+ 1 . ]"
1 40 GLU 4.246 1.379 15 3 "[ . 1 - + * ]"
1 41 GLN 1.227 0.161 8 0 "[ . 1 . ]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 43 CYS 0.274 0.127 5 0 "[ . 1 . ]"
1 44 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 45 SER 1.077 0.148 15 0 "[ . 1 . ]"
1 46 ILE 0.490 0.148 15 0 "[ . 1 . ]"
1 48 SER 4.239 0.123 12 0 "[ . 1 . ]"
1 49 LEU 19.266 2.008 6 2 "[ .+ - . ]"
1 50 GLU 19.386 0.293 15 0 "[ . 1 . ]"
1 51 GLN 11.393 0.293 15 0 "[ . 1 . ]"
1 52 LEU 20.248 0.264 19 0 "[ . 1 . ]"
1 53 GLU 13.743 0.326 7 0 "[ . 1 . ]"
1 54 ASN 1.477 0.147 15 0 "[ . 1 . ]"
1 55 TYR 15.309 1.867 7 3 "[ . + *- . ]"
1 56 CYS 5.155 0.294 3 0 "[ . 1 . ]"
1 57 ASN 3.860 0.350 3 0 "[ . 1 . ]"
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 PHE HA 1 1 PHE QB 2.500 . 3.100 2.237 2.156 2.449 . 0 0 "[ . 1 . ]" 1
2 1 1 PHE HA 1 1 PHE QD 3.000 . 4.400 3.048 1.503 3.803 0.297 10 0 "[ . 1 . ]" 1
3 1 1 PHE QB 1 1 PHE QD 2.500 . 3.100 2.212 2.132 2.392 . 0 0 "[ . 1 . ]" 1
4 1 1 PHE QB 1 6 LEU QD 3.000 . 4.000 2.446 1.691 4.008 0.109 11 0 "[ . 1 . ]" 1
5 1 1 PHE QB 1 14 ALA MB 3.000 . 4.400 3.081 2.492 4.810 0.410 10 0 "[ . 1 . ]" 1
6 1 1 PHE QB 1 17 LEU MD1 3.000 . 5.900 3.214 2.669 4.079 . 0 0 "[ . 1 . ]" 1
7 1 1 PHE QD 1 2 VAL HA 4.000 . 5.900 4.222 3.101 4.962 . 0 0 "[ . 1 . ]" 1
8 1 1 PHE QD 1 6 LEU QD 3.000 . 5.000 2.849 1.683 4.387 0.117 13 0 "[ . 1 . ]" 1
9 1 1 PHE QD 1 14 ALA MB 3.000 . 4.000 2.807 1.677 3.539 0.123 16 0 "[ . 1 . ]" 1
10 1 1 PHE QE 1 14 ALA MB 3.000 . 4.900 3.175 1.464 5.220 0.336 16 0 "[ . 1 . ]" 1
11 1 1 PHE QE 1 49 LEU QD 3.000 . 5.500 3.142 2.389 4.560 . 0 0 "[ . 1 . ]" 1
12 1 1 PHE HZ 1 14 ALA MB 3.000 . 4.900 4.229 1.621 7.049 2.149 4 2 "[ +. 1 -. ]" 1
13 1 1 PHE HZ 1 49 LEU QD 3.000 . 4.000 3.220 1.912 6.008 2.008 6 2 "[ .+ - . ]" 1
14 1 2 VAL HA 1 2 VAL HB 2.500 . 3.100 2.655 2.328 3.036 . 0 0 "[ . 1 . ]" 1
15 1 2 VAL HA 1 2 VAL QG 2.500 . 3.100 2.209 2.051 2.454 . 0 0 "[ . 1 . ]" 1
16 1 2 VAL HA 1 3 ASN H 2.500 . 3.500 2.767 2.299 3.532 0.032 18 0 "[ . 1 . ]" 1
17 1 2 VAL HA 1 3 ASN HA 4.000 . 5.900 4.578 4.363 4.820 . 0 0 "[ . 1 . ]" 1
18 1 2 VAL HA 1 3 ASN QB 4.000 . 5.900 4.737 4.290 5.111 . 0 0 "[ . 1 . ]" 1
19 1 2 VAL QG 1 3 ASN HD22 4.000 . 5.900 3.780 2.313 4.455 . 0 0 "[ . 1 . ]" 1
20 1 2 VAL QG 1 4 GLN H 4.000 . 5.900 3.801 2.379 4.590 . 0 0 "[ . 1 . ]" 1
21 1 2 VAL QG 1 4 GLN HE21 3.000 . 4.500 2.555 1.737 3.379 0.063 7 0 "[ . 1 . ]" 1
22 1 2 VAL QG 1 4 GLN HE22 4.000 . 5.900 2.875 1.544 4.174 0.256 17 0 "[ . 1 . ]" 1
23 1 3 ASN H 1 3 ASN HA 3.000 . 4.000 2.639 2.332 2.989 . 0 0 "[ . 1 . ]" 1
24 1 3 ASN H 1 3 ASN QB 2.500 . 3.600 3.094 2.728 3.490 . 0 0 "[ . 1 . ]" 1
25 1 3 ASN H 1 4 GLN H 4.000 . 5.900 3.616 1.718 4.608 0.082 8 0 "[ . 1 . ]" 1
26 1 3 ASN HA 1 3 ASN QB 2.500 . 3.100 2.300 2.238 2.516 . 0 0 "[ . 1 . ]" 1
27 1 3 ASN HA 1 4 GLN H 2.500 . 3.500 2.884 2.220 3.537 0.037 13 0 "[ . 1 . ]" 1
28 1 3 ASN HA 1 46 ILE MD 3.000 . 5.700 4.406 3.618 4.906 . 0 0 "[ . 1 . ]" 1
29 1 3 ASN QB 1 3 ASN HD21 2.500 . 3.100 2.469 2.200 2.913 . 0 0 "[ . 1 . ]" 1
30 1 3 ASN QB 1 3 ASN HD22 2.500 . 3.700 3.373 3.271 3.513 . 0 0 "[ . 1 . ]" 1
31 1 3 ASN QB 1 4 GLN H 4.000 . 5.900 2.944 1.675 3.927 0.125 10 0 "[ . 1 . ]" 1
32 1 3 ASN QB 1 46 ILE MD 3.000 . 4.500 3.138 2.845 3.357 . 0 0 "[ . 1 . ]" 1
33 1 3 ASN QB 1 46 ILE MG 2.500 . 3.100 2.043 1.838 2.171 . 0 0 "[ . 1 . ]" 1
34 1 3 ASN HD22 1 46 ILE MG 4.000 . 5.900 4.768 3.698 5.013 . 0 0 "[ . 1 . ]" 1
35 1 3 ASN HD22 1 48 SER HA 4.000 . 5.900 4.956 3.835 5.990 0.090 13 0 "[ . 1 . ]" 1
36 1 4 GLN H 1 4 GLN HA 3.000 . 4.000 2.705 2.312 3.001 . 0 0 "[ . 1 . ]" 1
37 1 4 GLN H 1 4 GLN QG 3.000 . 4.400 2.759 2.100 4.099 . 0 0 "[ . 1 . ]" 1
38 1 4 GLN H 1 46 ILE MG 3.000 . 4.000 2.825 2.156 3.504 . 0 0 "[ . 1 . ]" 1
39 1 4 GLN HA 1 4 GLN HB2 2.500 . 3.100 2.407 2.276 2.472 . 0 0 "[ . 1 . ]" 1
40 1 4 GLN HA 1 4 GLN HB3 2.500 . 3.100 2.517 2.458 2.822 . 0 0 "[ . 1 . ]" 1
41 1 4 GLN HA 1 4 GLN QG 3.000 . 4.000 3.310 3.142 3.450 . 0 0 "[ . 1 . ]" 1
42 1 4 GLN HA 1 5 HIS H 2.500 . 3.100 2.620 2.209 2.938 . 0 0 "[ . 1 . ]" 1
43 1 4 GLN HA 1 46 ILE MD 2.500 . 4.000 2.140 2.008 2.244 . 0 0 "[ . 1 . ]" 1
44 1 4 GLN HA 1 46 ILE HG12 4.000 . 5.900 4.589 2.718 4.928 . 0 0 "[ . 1 . ]" 1
45 1 4 GLN HA 1 46 ILE MG 2.500 . 3.900 3.089 2.930 3.197 . 0 0 "[ . 1 . ]" 1
46 1 4 GLN HB2 1 4 GLN QG 2.500 . 3.100 2.309 2.194 2.403 . 0 0 "[ . 1 . ]" 1
47 1 4 GLN HB3 1 4 GLN HE21 3.000 . 4.000 2.499 1.794 3.688 0.006 7 0 "[ . 1 . ]" 1
48 1 4 GLN HB3 1 4 GLN HE22 4.000 . 5.900 3.605 3.303 4.228 . 0 0 "[ . 1 . ]" 1
49 1 4 GLN HB3 1 4 GLN QG 2.500 . 3.100 2.428 2.348 2.476 . 0 0 "[ . 1 . ]" 1
50 1 4 GLN HB3 1 5 HIS H 3.000 . 4.000 3.697 3.370 4.088 0.088 3 0 "[ . 1 . ]" 1
51 1 4 GLN HB3 1 46 ILE MD 3.000 . 5.000 4.117 3.914 4.276 . 0 0 "[ . 1 . ]" 1
52 1 4 GLN HB3 1 46 ILE MG 3.000 . 5.800 4.696 4.566 4.822 . 0 0 "[ . 1 . ]" 1
53 1 4 GLN HE21 1 4 GLN QG 2.500 . 3.100 2.544 2.210 2.950 . 0 0 "[ . 1 . ]" 1
54 1 4 GLN QG 1 6 LEU QD 4.000 . 4.000 2.177 2.074 2.417 . 0 0 "[ . 1 . ]" 1
55 1 4 GLN QG 1 6 LEU HG 3.000 . 5.400 4.864 4.701 5.101 . 0 0 "[ . 1 . ]" 1
56 1 5 HIS H 1 5 HIS HB2 4.000 . 5.900 3.541 2.827 3.688 . 0 0 "[ . 1 . ]" 1
57 1 5 HIS H 1 5 HIS HB3 3.000 . 4.000 2.878 2.421 3.616 . 0 0 "[ . 1 . ]" 1
58 1 5 HIS HA 1 5 HIS HB3 3.000 . 4.000 2.428 2.297 2.526 . 0 0 "[ . 1 . ]" 1
59 1 5 HIS HA 1 46 ILE MD 4.000 . 5.900 3.983 3.402 4.949 . 0 0 "[ . 1 . ]" 1
60 1 5 HIS HA 1 46 ILE MG 4.000 . 5.900 4.570 4.067 4.813 . 0 0 "[ . 1 . ]" 1
61 1 5 HIS HB2 1 43 CYS HA 3.000 . 4.000 3.619 2.975 4.127 0.127 5 0 "[ . 1 . ]" 1
62 1 6 LEU HA 1 6 LEU HB2 3.000 . 4.000 2.908 2.856 2.947 . 0 0 "[ . 1 . ]" 1
63 1 6 LEU HA 1 6 LEU HB3 2.500 . 3.100 2.852 2.804 2.896 . 0 0 "[ . 1 . ]" 1
64 1 6 LEU HA 1 6 LEU QD 3.000 . 4.400 2.110 2.039 2.152 . 0 0 "[ . 1 . ]" 1
65 1 6 LEU HA 1 6 LEU HG 3.000 . 4.000 2.646 2.511 2.832 . 0 0 "[ . 1 . ]" 1
66 1 6 LEU HA 1 10 HIS HB3 3.000 . 4.800 3.761 3.182 4.785 . 0 0 "[ . 1 . ]" 1
67 1 6 LEU HA 1 11 LEU MD1 4.000 . 5.900 4.763 4.724 4.804 . 0 0 "[ . 1 . ]" 1
68 1 6 LEU HB2 1 6 LEU QD 2.500 . 3.100 2.117 2.103 2.143 . 0 0 "[ . 1 . ]" 1
69 1 6 LEU HB2 1 6 LEU HG 3.000 . 4.000 3.024 2.992 3.032 . 0 0 "[ . 1 . ]" 1
70 1 6 LEU HB2 1 11 LEU HA 2.500 . 3.700 3.778 3.701 4.078 0.378 17 0 "[ . 1 . ]" 1
71 1 6 LEU HB2 1 14 ALA MB 4.000 . 5.900 4.702 4.599 4.885 . 0 0 "[ . 1 . ]" 1
72 1 6 LEU HB3 1 6 LEU QD 2.500 . 3.100 2.319 2.246 2.416 . 0 0 "[ . 1 . ]" 1
73 1 6 LEU HB3 1 6 LEU HG 2.500 . 3.100 2.404 2.341 2.450 . 0 0 "[ . 1 . ]" 1
74 1 6 LEU HB3 1 11 LEU HA 3.000 . 4.000 2.391 2.317 3.010 . 0 0 "[ . 1 . ]" 1
75 1 6 LEU HB3 1 11 LEU HB2 4.000 . 5.900 2.303 2.215 2.337 . 0 0 "[ . 1 . ]" 1
76 1 6 LEU HB3 1 11 LEU MD1 2.500 . 3.100 2.188 2.159 2.212 . 0 0 "[ . 1 . ]" 1
77 1 6 LEU HB3 1 11 LEU MD2 4.000 . 5.900 3.517 3.210 3.678 . 0 0 "[ . 1 . ]" 1
78 1 6 LEU HB3 1 14 ALA MB 4.000 . 5.900 4.424 4.363 4.616 . 0 0 "[ . 1 . ]" 1
79 1 6 LEU QD 1 7 CYS H 4.000 . 5.900 3.710 3.634 3.813 . 0 0 "[ . 1 . ]" 1
80 1 6 LEU QD 1 10 HIS HB2 4.000 . 5.900 3.735 2.158 4.071 . 0 0 "[ . 1 . ]" 1
81 1 6 LEU QD 1 10 HIS HB3 3.000 . 4.000 3.030 2.978 3.159 . 0 0 "[ . 1 . ]" 1
82 1 6 LEU QD 1 11 LEU HA 3.000 . 4.000 2.163 2.061 2.213 . 0 0 "[ . 1 . ]" 1
83 1 6 LEU QD 1 11 LEU MD1 2.500 . 4.000 2.336 2.196 2.372 . 0 0 "[ . 1 . ]" 1
84 1 6 LEU QD 1 14 ALA MB 2.500 . 3.100 2.063 2.038 2.129 . 0 0 "[ . 1 . ]" 1
85 1 6 LEU HG 1 11 LEU MD1 4.000 . 5.900 3.773 3.508 3.932 . 0 0 "[ . 1 . ]" 1
86 1 7 CYS H 1 7 CYS HB2 3.000 . 4.000 2.743 2.600 3.081 . 0 0 "[ . 1 . ]" 1
87 1 7 CYS H 1 7 CYS HB3 4.000 . 5.900 3.616 2.936 3.899 . 0 0 "[ . 1 . ]" 1
88 1 7 CYS HA 1 7 CYS HB2 3.000 . 4.000 2.943 2.651 3.039 . 0 0 "[ . 1 . ]" 1
89 1 7 CYS HA 1 7 CYS HB3 3.000 . 4.000 2.573 2.375 3.009 . 0 0 "[ . 1 . ]" 1
90 1 7 CYS HA 1 11 LEU MD2 4.000 . 5.900 3.600 3.205 3.845 . 0 0 "[ . 1 . ]" 1
91 1 7 CYS HA 1 43 CYS HB2 4.000 . 5.900 2.746 2.361 3.104 . 0 0 "[ . 1 . ]" 1
92 1 7 CYS HA 1 43 CYS HB3 4.000 . 5.900 4.429 4.064 4.765 . 0 0 "[ . 1 . ]" 1
93 1 9 SER HA 1 9 SER HB2 2.500 . 3.100 2.599 2.556 2.630 . 0 0 "[ . 1 . ]" 1
94 1 9 SER HA 1 10 HIS H 4.000 . 5.900 3.443 3.410 3.604 . 0 0 "[ . 1 . ]" 1
95 1 9 SER HA 1 11 LEU H 4.000 . 5.900 3.221 3.111 3.376 . 0 0 "[ . 1 . ]" 1
96 1 9 SER HA 1 12 VAL H 3.000 . 4.000 2.252 2.198 2.306 . 0 0 "[ . 1 . ]" 1
97 1 9 SER HA 1 12 VAL HB 2.500 . 3.100 2.335 2.296 2.490 . 0 0 "[ . 1 . ]" 1
98 1 9 SER HA 1 12 VAL MG1 3.000 . 4.500 3.898 3.874 3.980 . 0 0 "[ . 1 . ]" 1
99 1 9 SER HA 1 12 VAL MG2 2.500 . 3.100 2.159 2.082 2.273 . 0 0 "[ . 1 . ]" 1
100 1 9 SER HB2 1 10 HIS H 3.000 . 4.000 4.012 3.854 4.052 0.052 8 0 "[ . 1 . ]" 1
101 1 9 SER HB2 1 12 VAL H 4.000 . 5.900 4.010 3.885 4.091 . 0 0 "[ . 1 . ]" 1
102 1 9 SER HB2 1 12 VAL HB 3.000 . 4.000 2.366 2.285 2.552 . 0 0 "[ . 1 . ]" 1
103 1 9 SER HB2 1 12 VAL MG2 3.000 . 4.000 3.246 3.185 3.373 . 0 0 "[ . 1 . ]" 1
104 1 9 SER HB2 1 13 GLU HG3 4.000 . 5.900 5.903 5.828 5.985 0.085 12 0 "[ . 1 . ]" 1
105 1 9 SER HB3 1 12 VAL MG2 2.500 . 3.500 2.772 2.699 2.913 . 0 0 "[ . 1 . ]" 1
106 1 10 HIS H 1 10 HIS HA 3.000 . 4.000 2.845 2.828 2.853 . 0 0 "[ . 1 . ]" 1
107 1 10 HIS H 1 10 HIS HB2 3.000 . 4.000 2.545 2.339 3.688 . 0 0 "[ . 1 . ]" 1
108 1 10 HIS H 1 10 HIS HB3 3.000 . 4.000 3.581 2.889 3.671 . 0 0 "[ . 1 . ]" 1
109 1 10 HIS H 1 11 LEU H 3.000 . 4.000 2.540 2.482 2.638 . 0 0 "[ . 1 . ]" 1
110 1 10 HIS HA 1 10 HIS HB3 2.500 . 3.100 2.579 2.428 3.031 . 0 0 "[ . 1 . ]" 1
111 1 10 HIS HA 1 11 LEU H 3.000 . 4.000 3.429 3.403 3.462 . 0 0 "[ . 1 . ]" 1
112 1 10 HIS HA 1 13 GLU H 3.000 . 4.000 3.557 3.430 3.637 . 0 0 "[ . 1 . ]" 1
113 1 10 HIS HA 1 13 GLU QB 2.500 . 3.100 2.826 2.609 2.933 . 0 0 "[ . 1 . ]" 1
114 1 10 HIS HB2 1 11 LEU H 3.000 . 4.000 3.015 2.808 3.712 . 0 0 "[ . 1 . ]" 1
115 1 10 HIS HB3 1 11 LEU H 3.000 . 4.000 3.798 2.848 4.144 0.144 17 0 "[ . 1 . ]" 1
116 1 11 LEU H 1 11 LEU HA 2.500 . 3.100 2.891 2.862 2.902 . 0 0 "[ . 1 . ]" 1
117 1 11 LEU H 1 11 LEU HB2 2.500 . 3.100 2.736 2.532 2.804 . 0 0 "[ . 1 . ]" 1
118 1 11 LEU H 1 11 LEU HB3 2.500 . 3.100 2.242 2.180 2.364 . 0 0 "[ . 1 . ]" 1
119 1 11 LEU H 1 11 LEU MD1 3.000 . 4.800 4.091 4.006 4.119 . 0 0 "[ . 1 . ]" 1
120 1 11 LEU H 1 11 LEU MD2 3.000 . 4.900 4.216 4.155 4.247 . 0 0 "[ . 1 . ]" 1
121 1 11 LEU H 1 11 LEU HG 3.000 . 4.000 4.176 4.113 4.296 0.296 17 0 "[ . 1 . ]" 1
122 1 11 LEU H 1 12 VAL H 2.500 . 3.100 2.382 2.272 2.469 . 0 0 "[ . 1 . ]" 1
123 1 11 LEU H 1 12 VAL HB 4.000 . 5.900 4.267 4.172 4.421 . 0 0 "[ . 1 . ]" 1
124 1 11 LEU H 1 13 GLU H 4.000 . 5.900 3.813 3.671 3.944 . 0 0 "[ . 1 . ]" 1
125 1 11 LEU HA 1 11 LEU HB3 2.500 . 3.100 3.017 3.008 3.039 . 0 0 "[ . 1 . ]" 1
126 1 11 LEU HA 1 11 LEU MD1 2.500 . 3.100 2.085 2.037 2.133 . 0 0 "[ . 1 . ]" 1
127 1 11 LEU HA 1 11 LEU MD2 3.000 . 4.600 3.776 3.737 3.827 . 0 0 "[ . 1 . ]" 1
128 1 11 LEU HA 1 11 LEU HG 2.500 . 3.100 3.291 3.141 3.336 0.236 9 0 "[ . 1 . ]" 1
129 1 11 LEU HA 1 12 VAL H 3.000 . 4.000 3.552 3.536 3.566 . 0 0 "[ . 1 . ]" 1
130 1 11 LEU HA 1 14 ALA MB 2.500 . 4.000 3.159 2.571 3.282 . 0 0 "[ . 1 . ]" 1
131 1 11 LEU HB2 1 11 LEU MD1 2.500 . 3.100 2.428 2.388 2.467 . 0 0 "[ . 1 . ]" 1
132 1 11 LEU HB2 1 11 LEU MD2 2.500 . 3.100 2.243 2.199 2.330 . 0 0 "[ . 1 . ]" 1
133 1 11 LEU HB2 1 11 LEU HG 2.500 . 3.100 3.000 2.995 3.009 . 0 0 "[ . 1 . ]" 1
134 1 11 LEU HB2 1 12 VAL H 3.000 . 4.000 3.768 3.580 3.884 . 0 0 "[ . 1 . ]" 1
135 1 11 LEU HB2 1 15 LEU MD1 4.000 . 5.900 4.783 4.620 4.821 . 0 0 "[ . 1 . ]" 1
136 1 11 LEU HB3 1 11 LEU MD1 2.500 . 3.700 3.193 3.187 3.197 . 0 0 "[ . 1 . ]" 1
137 1 11 LEU HB3 1 11 LEU MD2 2.500 . 3.100 2.440 2.359 2.508 . 0 0 "[ . 1 . ]" 1
138 1 11 LEU HB3 1 11 LEU HG 2.500 . 3.100 2.366 2.351 2.396 . 0 0 "[ . 1 . ]" 1
139 1 11 LEU HB3 1 12 VAL H 2.500 . 3.100 2.337 2.166 2.568 . 0 0 "[ . 1 . ]" 1
140 1 11 LEU HB3 1 12 VAL MG2 3.000 . 4.600 3.560 3.306 3.666 . 0 0 "[ . 1 . ]" 1
141 1 11 LEU MD1 1 11 LEU MD2 2.500 . 3.100 2.058 2.038 2.088 . 0 0 "[ . 1 . ]" 1
142 1 11 LEU MD1 1 14 ALA MB 2.500 . 4.100 2.543 2.513 2.573 . 0 0 "[ . 1 . ]" 1
143 1 11 LEU MD1 1 15 LEU MD1 3.000 . 4.500 2.769 2.634 2.957 . 0 0 "[ . 1 . ]" 1
144 1 11 LEU MD1 1 15 LEU HG 3.000 . 4.000 3.055 2.902 3.238 . 0 0 "[ . 1 . ]" 1
145 1 11 LEU MD1 1 38 ILE MD 3.000 . 4.000 2.163 2.112 2.261 . 0 0 "[ . 1 . ]" 1
146 1 11 LEU MD1 1 38 ILE MG 3.000 . 5.700 3.659 3.547 3.714 . 0 0 "[ . 1 . ]" 1
147 1 11 LEU MD2 1 12 VAL H 4.000 . 5.900 4.115 3.972 4.442 . 0 0 "[ . 1 . ]" 1
148 1 11 LEU MD2 1 12 VAL HA 4.000 . 5.900 4.787 4.666 4.909 . 0 0 "[ . 1 . ]" 1
149 1 11 LEU MD2 1 26 TYR HD1 3.000 . 5.800 3.957 3.525 4.636 . 0 0 "[ . 1 . ]" 1
150 1 11 LEU MD2 1 26 TYR HE1 3.000 . 4.000 2.483 2.146 3.268 . 0 0 "[ . 1 . ]" 1
151 1 11 LEU MD2 1 38 ILE HG13 4.000 . 5.900 3.728 3.664 3.904 . 0 0 "[ . 1 . ]" 1
152 1 11 LEU MD2 1 38 ILE MG 2.500 . 3.600 2.112 2.059 2.135 . 0 0 "[ . 1 . ]" 1
153 1 11 LEU MD2 1 39 VAL HB 4.000 . 5.900 4.488 4.388 4.705 . 0 0 "[ . 1 . ]" 1
154 1 11 LEU MD2 1 39 VAL QG 2.500 . 3.600 2.166 2.077 2.358 . 0 0 "[ . 1 . ]" 1
155 1 11 LEU MD2 1 43 CYS HB2 4.000 . 5.900 4.003 3.821 4.433 . 0 0 "[ . 1 . ]" 1
156 1 11 LEU HG 1 12 VAL H 4.000 . 5.900 3.185 2.940 3.651 . 0 0 "[ . 1 . ]" 1
157 1 11 LEU HG 1 15 LEU MD1 3.000 . 4.000 2.214 2.143 2.239 . 0 0 "[ . 1 . ]" 1
158 1 11 LEU HG 1 26 TYR HE1 4.000 . 5.900 3.828 3.182 4.948 . 0 0 "[ . 1 . ]" 1
159 1 11 LEU HG 1 26 TYR HE2 4.000 . 5.900 5.428 2.157 5.925 0.025 17 0 "[ . 1 . ]" 1
160 1 12 VAL H 1 12 VAL HA 2.500 . 3.100 2.803 2.780 2.854 . 0 0 "[ . 1 . ]" 1
161 1 12 VAL H 1 12 VAL HB 2.500 . 3.100 2.455 2.362 2.515 . 0 0 "[ . 1 . ]" 1
162 1 12 VAL H 1 13 GLU H 2.500 . 3.100 2.815 2.672 2.908 . 0 0 "[ . 1 . ]" 1
163 1 12 VAL H 1 13 GLU QB 4.000 . 5.900 4.503 4.354 4.582 . 0 0 "[ . 1 . ]" 1
164 1 12 VAL H 1 14 ALA H 4.000 . 5.900 4.669 4.375 4.740 . 0 0 "[ . 1 . ]" 1
165 1 12 VAL HA 1 12 VAL HB 2.500 . 3.100 3.026 3.002 3.045 . 0 0 "[ . 1 . ]" 1
166 1 12 VAL HA 1 12 VAL MG1 2.500 . 3.100 2.448 2.355 2.515 . 0 0 "[ . 1 . ]" 1
167 1 12 VAL HA 1 12 VAL MG2 2.500 . 3.100 2.320 2.204 2.416 . 0 0 "[ . 1 . ]" 1
168 1 12 VAL HA 1 13 GLU H 3.000 . 4.000 3.532 3.512 3.544 . 0 0 "[ . 1 . ]" 1
169 1 12 VAL HA 1 14 ALA H 4.000 . 5.900 4.746 4.628 4.806 . 0 0 "[ . 1 . ]" 1
170 1 12 VAL HA 1 15 LEU H 3.000 . 4.000 3.602 3.395 3.709 . 0 0 "[ . 1 . ]" 1
171 1 12 VAL HA 1 15 LEU HB2 4.000 . 5.900 2.526 2.341 2.605 . 0 0 "[ . 1 . ]" 1
172 1 12 VAL HA 1 15 LEU HB3 3.000 . 4.000 4.078 3.916 4.140 0.140 19 0 "[ . 1 . ]" 1
173 1 12 VAL HA 1 15 LEU MD1 3.000 . 3.100 2.158 2.062 2.210 . 0 0 "[ . 1 . ]" 1
174 1 12 VAL HA 1 15 LEU HG 4.000 . 4.000 3.965 3.808 4.044 0.044 17 0 "[ . 1 . ]" 1
175 1 12 VAL HA 1 24 PHE HE1 4.000 . 5.900 3.960 3.514 4.561 . 0 0 "[ . 1 . ]" 1
176 1 12 VAL HB 1 13 GLU H 2.500 . 3.100 2.407 2.124 2.585 . 0 0 "[ . 1 . ]" 1
177 1 12 VAL HB 1 13 GLU HA 2.500 . 4.200 4.136 4.010 4.256 0.056 12 0 "[ . 1 . ]" 1
178 1 12 VAL MG1 1 13 GLU H 3.000 . 4.000 2.999 2.953 3.028 . 0 0 "[ . 1 . ]" 1
179 1 12 VAL MG1 1 13 GLU HA 3.000 . 4.000 2.915 2.891 2.996 . 0 0 "[ . 1 . ]" 1
180 1 12 VAL MG1 1 13 GLU QB 3.000 . 5.400 3.967 3.906 3.999 . 0 0 "[ . 1 . ]" 1
181 1 12 VAL MG1 1 15 LEU MD1 3.000 . 5.500 3.668 3.547 3.779 . 0 0 "[ . 1 . ]" 1
182 1 12 VAL MG1 1 24 PHE HD1 3.000 . 5.300 3.788 3.608 3.958 . 0 0 "[ . 1 . ]" 1
183 1 12 VAL MG1 1 24 PHE HD2 3.000 . 5.700 4.698 4.548 4.821 . 0 0 "[ . 1 . ]" 1
184 1 12 VAL MG1 1 24 PHE HE1 3.000 . 3.700 2.240 2.147 2.301 . 0 0 "[ . 1 . ]" 1
185 1 12 VAL MG1 1 24 PHE HE2 3.000 . 4.000 3.598 3.571 3.627 . 0 0 "[ . 1 . ]" 1
186 1 12 VAL MG1 1 26 TYR QB 4.000 . 5.900 3.704 3.585 4.047 . 0 0 "[ . 1 . ]" 1
187 1 12 VAL MG1 1 26 TYR HD2 3.000 . 5.800 4.092 3.396 4.231 . 0 0 "[ . 1 . ]" 1
188 1 12 VAL MG2 1 13 GLU H 3.000 . 4.500 3.848 3.675 3.935 . 0 0 "[ . 1 . ]" 1
189 1 12 VAL MG2 1 13 GLU HA 4.000 . 5.900 5.201 5.185 5.229 . 0 0 "[ . 1 . ]" 1
190 1 12 VAL MG2 1 15 LEU MD1 3.000 . 5.200 3.169 2.809 3.376 . 0 0 "[ . 1 . ]" 1
191 1 12 VAL MG2 1 24 PHE HE1 4.000 . 5.900 2.677 2.489 2.894 . 0 0 "[ . 1 . ]" 1
192 1 12 VAL MG2 1 26 TYR QB 3.000 . 4.000 2.530 2.023 2.881 . 0 0 "[ . 1 . ]" 1
193 1 12 VAL MG2 1 26 TYR HD1 2.500 . 5.100 3.986 3.630 4.490 . 0 0 "[ . 1 . ]" 1
194 1 12 VAL MG2 1 26 TYR HD2 2.500 . 4.000 2.436 2.105 2.886 . 0 0 "[ . 1 . ]" 1
195 1 12 VAL MG2 1 26 TYR HE1 2.500 . 5.600 4.374 4.126 4.674 . 0 0 "[ . 1 . ]" 1
196 1 12 VAL MG2 1 26 TYR HE2 2.500 . 5.100 3.029 2.240 4.162 . 0 0 "[ . 1 . ]" 1
197 1 13 GLU H 1 13 GLU HA 2.500 . 3.100 2.706 2.696 2.719 . 0 0 "[ . 1 . ]" 1
198 1 13 GLU H 1 13 GLU QB 2.500 . 3.100 2.172 2.163 2.187 . 0 0 "[ . 1 . ]" 1
199 1 13 GLU H 1 13 GLU HG2 2.500 . 4.200 4.462 4.452 4.476 0.276 8 0 "[ . 1 . ]" 1
200 1 13 GLU H 1 14 ALA H 2.500 . 3.100 3.019 2.947 3.049 . 0 0 "[ . 1 . ]" 1
201 1 13 GLU H 1 14 ALA MB 3.000 . 5.400 4.504 4.445 4.534 . 0 0 "[ . 1 . ]" 1
202 1 13 GLU HA 1 13 GLU QB 2.500 . 3.100 2.426 2.423 2.430 . 0 0 "[ . 1 . ]" 1
203 1 13 GLU HA 1 13 GLU HG2 2.500 . 3.100 2.621 2.610 2.641 . 0 0 "[ . 1 . ]" 1
204 1 13 GLU HA 1 14 ALA H 3.000 . 4.000 3.540 3.536 3.545 . 0 0 "[ . 1 . ]" 1
205 1 13 GLU HA 1 16 TYR QB 2.500 . 3.100 2.217 2.201 2.236 . 0 0 "[ . 1 . ]" 1
206 1 13 GLU HA 1 16 TYR HD1 2.500 . 5.600 4.366 2.177 5.651 0.051 19 0 "[ . 1 . ]" 1
207 1 13 GLU HA 1 16 TYR HD2 2.500 . 5.600 3.461 2.179 5.645 0.045 4 0 "[ . 1 . ]" 1
208 1 13 GLU QB 1 13 GLU HG2 2.500 . 3.100 2.414 2.402 2.421 . 0 0 "[ . 1 . ]" 1
209 1 13 GLU QB 1 13 GLU HG3 2.500 . 3.100 2.310 2.308 2.313 . 0 0 "[ . 1 . ]" 1
210 1 13 GLU QB 1 14 ALA H 2.500 . 3.100 2.044 2.031 2.053 . 0 0 "[ . 1 . ]" 1
211 1 13 GLU QB 1 14 ALA HA 4.000 . 4.500 3.805 3.793 3.813 . 0 0 "[ . 1 . ]" 1
212 1 13 GLU QB 1 14 ALA MB 3.000 . 5.200 3.607 3.592 3.618 . 0 0 "[ . 1 . ]" 1
213 1 13 GLU QB 1 16 TYR QB 3.000 . 5.500 4.184 4.169 4.200 . 0 0 "[ . 1 . ]" 1
214 1 13 GLU QB 1 17 LEU MD2 3.000 . 5.700 4.179 4.127 4.210 . 0 0 "[ . 1 . ]" 1
215 1 13 GLU HG2 1 14 ALA H 3.000 . 4.000 3.795 3.781 3.822 . 0 0 "[ . 1 . ]" 1
216 1 13 GLU HG2 1 14 ALA MB 4.000 . 5.900 4.946 4.929 4.977 . 0 0 "[ . 1 . ]" 1
217 1 13 GLU HG2 1 16 TYR HD1 4.000 . 5.900 4.695 2.320 6.076 0.176 12 0 "[ . 1 . ]" 1
218 1 13 GLU HG2 1 16 TYR HD2 4.000 . 5.900 3.716 2.315 6.082 0.182 8 0 "[ . 1 . ]" 1
219 1 13 GLU HG2 1 17 LEU MD2 3.000 . 4.000 2.521 2.458 2.587 . 0 0 "[ . 1 . ]" 1
220 1 13 GLU HG3 1 16 TYR QB 3.000 . 4.600 4.035 4.007 4.054 . 0 0 "[ . 1 . ]" 1
221 1 13 GLU HG3 1 17 LEU MD1 4.000 . 5.900 4.560 4.492 4.685 . 0 0 "[ . 1 . ]" 1
222 1 14 ALA H 1 14 ALA HA 2.500 . 3.100 2.768 2.763 2.778 . 0 0 "[ . 1 . ]" 1
223 1 14 ALA H 1 14 ALA MB 2.500 . 3.100 2.200 2.190 2.211 . 0 0 "[ . 1 . ]" 1
224 1 14 ALA H 1 15 LEU H 2.500 . 3.100 3.065 3.034 3.082 . 0 0 "[ . 1 . ]" 1
225 1 14 ALA HA 1 15 LEU H 3.000 . 4.000 3.572 3.565 3.581 . 0 0 "[ . 1 . ]" 1
226 1 14 ALA HA 1 17 LEU H 4.000 . 5.900 3.298 3.273 3.361 . 0 0 "[ . 1 . ]" 1
227 1 14 ALA HA 1 17 LEU HB2 3.000 . 4.000 2.858 2.813 2.930 . 0 0 "[ . 1 . ]" 1
228 1 14 ALA HA 1 17 LEU HB3 2.500 . 4.000 4.135 4.111 4.177 0.177 8 0 "[ . 1 . ]" 1
229 1 14 ALA HA 1 17 LEU MD2 2.500 . 4.400 3.842 3.810 3.890 . 0 0 "[ . 1 . ]" 1
230 1 14 ALA HA 1 17 LEU HG 3.000 . 4.000 2.294 2.255 2.335 . 0 0 "[ . 1 . ]" 1
231 1 14 ALA HA 1 18 VAL H 3.000 . 4.000 3.904 3.875 3.940 . 0 0 "[ . 1 . ]" 1
232 1 14 ALA HA 1 18 VAL MG1 3.000 . 4.000 3.431 3.388 3.473 . 0 0 "[ . 1 . ]" 1
233 1 14 ALA HA 1 52 LEU HB3 4.000 . 5.900 6.033 5.989 6.077 0.177 18 0 "[ . 1 . ]" 1
234 1 14 ALA MB 1 15 LEU H 2.500 . 3.100 1.994 1.969 2.032 . 0 0 "[ . 1 . ]" 1
235 1 14 ALA MB 1 15 LEU HA 3.000 . 4.500 3.723 3.707 3.747 . 0 0 "[ . 1 . ]" 1
236 1 14 ALA MB 1 15 LEU MD1 4.000 . 5.900 3.844 3.693 3.910 . 0 0 "[ . 1 . ]" 1
237 1 14 ALA MB 1 15 LEU HG 4.000 . 4.000 3.080 3.047 3.117 . 0 0 "[ . 1 . ]" 1
238 1 14 ALA MB 1 16 TYR H 4.000 . 5.900 4.287 4.226 4.386 . 0 0 "[ . 1 . ]" 1
239 1 14 ALA MB 1 18 VAL MG1 2.500 . 4.400 3.040 3.022 3.084 . 0 0 "[ . 1 . ]" 1
240 1 14 ALA MB 1 52 LEU QD 2.500 . 3.100 1.976 1.919 1.997 . 0 0 "[ . 1 . ]" 1
241 1 15 LEU H 1 15 LEU HA 2.500 . 3.100 2.774 2.768 2.782 . 0 0 "[ . 1 . ]" 1
242 1 15 LEU H 1 15 LEU HB2 3.000 . 4.000 2.479 2.453 2.501 . 0 0 "[ . 1 . ]" 1
243 1 15 LEU H 1 15 LEU HB3 2.500 . 3.600 3.609 3.599 3.616 0.016 18 0 "[ . 1 . ]" 1
244 1 15 LEU H 1 15 LEU MD1 3.000 . 4.000 3.029 2.907 3.073 . 0 0 "[ . 1 . ]" 1
245 1 15 LEU H 1 15 LEU MD2 3.000 . 4.400 3.720 3.695 3.755 . 0 0 "[ . 1 . ]" 1
246 1 15 LEU H 1 15 LEU HG 2.500 . 3.100 2.179 2.160 2.216 . 0 0 "[ . 1 . ]" 1
247 1 15 LEU HA 1 15 LEU HB2 2.500 . 3.100 3.035 3.017 3.045 . 0 0 "[ . 1 . ]" 1
248 1 15 LEU HA 1 15 LEU HB3 3.000 . 4.000 2.560 2.523 2.586 . 0 0 "[ . 1 . ]" 1
249 1 15 LEU HA 1 15 LEU MD1 3.000 . 4.600 3.830 3.783 3.850 . 0 0 "[ . 1 . ]" 1
250 1 15 LEU HA 1 15 LEU MD2 2.500 . 3.100 2.274 2.244 2.321 . 0 0 "[ . 1 . ]" 1
251 1 15 LEU HA 1 15 LEU HG 3.000 . 3.100 2.590 2.498 2.639 . 0 0 "[ . 1 . ]" 1
252 1 15 LEU HA 1 16 TYR H 3.000 . 4.000 3.587 3.574 3.597 . 0 0 "[ . 1 . ]" 1
253 1 15 LEU HA 1 16 TYR QB 4.000 . 5.900 5.268 5.259 5.285 . 0 0 "[ . 1 . ]" 1
254 1 15 LEU HA 1 18 VAL H 2.500 . 3.500 3.643 3.570 3.697 0.197 19 0 "[ . 1 . ]" 1
255 1 15 LEU HA 1 18 VAL HB 2.500 . 4.800 4.954 4.863 5.020 0.220 3 0 "[ . 1 . ]" 1
256 1 15 LEU HA 1 18 VAL MG1 2.500 . 3.100 2.207 2.183 2.224 . 0 0 "[ . 1 . ]" 1
257 1 15 LEU HA 1 18 VAL MG2 3.000 . 4.000 2.829 2.662 2.968 . 0 0 "[ . 1 . ]" 1
258 1 15 LEU HA 1 19 CYS H 3.000 . 4.000 3.345 2.812 3.692 . 0 0 "[ . 1 . ]" 1
259 1 15 LEU HA 1 52 LEU QD 3.000 . 4.500 2.914 2.848 2.951 . 0 0 "[ . 1 . ]" 1
260 1 15 LEU HB2 1 15 LEU MD1 3.000 . 4.000 2.224 2.187 2.241 . 0 0 "[ . 1 . ]" 1
261 1 15 LEU HB2 1 15 LEU MD2 2.500 . 3.700 3.160 3.144 3.174 . 0 0 "[ . 1 . ]" 1
262 1 15 LEU HB2 1 15 LEU HG 3.000 . 4.000 2.654 2.632 2.696 . 0 0 "[ . 1 . ]" 1
263 1 15 LEU HB2 1 16 TYR H 4.000 . 5.900 2.461 2.321 2.524 . 0 0 "[ . 1 . ]" 1
264 1 15 LEU HB2 1 24 PHE HD1 4.000 . 5.900 3.989 3.676 4.463 . 0 0 "[ . 1 . ]" 1
265 1 15 LEU HB2 1 24 PHE HD2 4.000 . 5.900 4.889 4.584 5.006 . 0 0 "[ . 1 . ]" 1
266 1 15 LEU HB3 1 15 LEU MD1 3.000 . 4.000 2.609 2.562 2.676 . 0 0 "[ . 1 . ]" 1
267 1 15 LEU HB3 1 15 LEU MD2 3.000 . 4.000 2.247 2.215 2.269 . 0 0 "[ . 1 . ]" 1
268 1 15 LEU HB3 1 15 LEU HG 3.000 . 4.000 3.000 2.990 3.007 . 0 0 "[ . 1 . ]" 1
269 1 15 LEU HB3 1 16 TYR H 3.000 . 4.000 3.421 3.252 3.487 . 0 0 "[ . 1 . ]" 1
270 1 15 LEU MD1 1 15 LEU MD2 2.500 . 3.100 2.087 2.075 2.092 . 0 0 "[ . 1 . ]" 1
271 1 15 LEU MD1 1 24 PHE HB2 4.000 . 5.900 3.643 3.539 3.803 . 0 0 "[ . 1 . ]" 1
272 1 15 LEU MD1 1 26 TYR QB 3.000 . 5.400 3.064 2.440 4.068 . 0 0 "[ . 1 . ]" 1
273 1 15 LEU MD1 1 26 TYR HD1 3.000 . 5.600 3.294 2.447 4.508 . 0 0 "[ . 1 . ]" 1
274 1 15 LEU MD1 1 26 TYR HD2 3.000 . 5.900 4.237 2.075 4.936 . 0 0 "[ . 1 . ]" 1
275 1 15 LEU MD1 1 26 TYR HE1 3.000 . 6.000 3.701 3.286 4.824 . 0 0 "[ . 1 . ]" 1
276 1 15 LEU MD1 1 38 ILE MD 3.000 . 4.000 2.158 1.998 2.309 . 0 0 "[ . 1 . ]" 1
277 1 15 LEU MD1 1 38 ILE MG 3.000 . 5.300 3.413 3.327 3.538 . 0 0 "[ . 1 . ]" 1
278 1 15 LEU MD1 1 55 TYR HB2 4.000 . 4.900 4.145 4.082 4.221 . 0 0 "[ . 1 . ]" 1
279 1 15 LEU MD1 1 55 TYR HB3 3.000 . 4.900 3.943 3.892 3.981 . 0 0 "[ . 1 . ]" 1
280 1 15 LEU MD1 1 55 TYR HD2 4.000 . 5.900 3.439 3.369 3.537 . 0 0 "[ . 1 . ]" 1
281 1 15 LEU MD1 1 55 TYR QE 4.000 . 5.900 4.375 4.301 4.476 . 0 0 "[ . 1 . ]" 1
282 1 15 LEU MD2 1 24 PHE HB2 3.000 . 4.000 3.124 2.992 3.153 . 0 0 "[ . 1 . ]" 1
283 1 15 LEU MD2 1 24 PHE HB3 3.000 . 5.000 3.955 3.628 4.072 . 0 0 "[ . 1 . ]" 1
284 1 15 LEU MD2 1 38 ILE MD 2.500 . 4.100 2.406 2.256 2.637 . 0 0 "[ . 1 . ]" 1
285 1 15 LEU MD2 1 52 LEU HA 2.500 . 3.100 2.358 2.246 2.448 . 0 0 "[ . 1 . ]" 1
286 1 15 LEU MD2 1 52 LEU HB2 3.000 . 4.500 3.602 3.519 3.667 . 0 0 "[ . 1 . ]" 1
287 1 15 LEU MD2 1 52 LEU HB3 2.500 . 3.100 2.199 2.148 2.229 . 0 0 "[ . 1 . ]" 1
288 1 15 LEU MD2 1 52 LEU HG 3.000 . 5.100 4.220 4.121 4.274 . 0 0 "[ . 1 . ]" 1
289 1 15 LEU MD2 1 55 TYR H 4.000 . 5.900 3.737 3.659 3.812 . 0 0 "[ . 1 . ]" 1
290 1 15 LEU MD2 1 55 TYR HB2 2.500 . 3.100 2.041 2.028 2.059 . 0 0 "[ . 1 . ]" 1
291 1 15 LEU MD2 1 55 TYR HB3 2.500 . 3.100 2.331 2.268 2.427 . 0 0 "[ . 1 . ]" 1
292 1 15 LEU MD2 1 55 TYR HD1 3.000 . 4.400 3.760 3.722 3.794 . 0 0 "[ . 1 . ]" 1
293 1 15 LEU MD2 1 55 TYR HD2 3.000 . 4.000 2.894 2.671 3.088 . 0 0 "[ . 1 . ]" 1
294 1 15 LEU MD2 1 55 TYR QE 4.000 . 5.900 4.069 3.926 4.201 . 0 0 "[ . 1 . ]" 1
295 1 15 LEU HG 1 52 LEU QD 3.000 . 4.000 2.131 2.066 2.178 . 0 0 "[ . 1 . ]" 1
296 1 16 TYR H 1 16 TYR HA 2.500 . 3.100 2.820 2.789 2.836 . 0 0 "[ . 1 . ]" 1
297 1 16 TYR H 1 16 TYR QB 2.500 . 3.100 2.082 2.076 2.089 . 0 0 "[ . 1 . ]" 1
298 1 16 TYR H 1 17 LEU H 4.000 . 5.900 2.793 2.733 2.897 . 0 0 "[ . 1 . ]" 1
299 1 16 TYR HA 1 16 TYR QB 2.500 . 3.100 2.200 2.197 2.204 . 0 0 "[ . 1 . ]" 1
300 1 16 TYR HA 1 16 TYR HD1 2.500 . 4.600 3.585 2.812 4.860 0.260 5 0 "[ . 1 . ]" 1
301 1 16 TYR HA 1 16 TYR HD2 2.500 . 4.600 4.111 2.802 4.862 0.262 18 0 "[ . 1 . ]" 1
302 1 16 TYR HA 1 20 GLY H 3.000 . 4.000 3.747 3.458 4.096 0.096 18 0 "[ . 1 . ]" 1
303 1 16 TYR HA 1 24 PHE HD1 3.000 . 5.700 5.644 5.398 5.937 0.237 18 0 "[ . 1 . ]" 1
304 1 16 TYR HA 1 24 PHE HD2 3.000 . 4.900 2.488 2.319 2.644 . 0 0 "[ . 1 . ]" 1
305 1 16 TYR HA 1 24 PHE HE1 3.000 . 5.500 5.770 5.730 5.875 0.375 17 0 "[ . 1 . ]" 1
306 1 16 TYR HA 1 24 PHE HE2 3.000 . 4.500 2.776 2.271 3.156 . 0 0 "[ . 1 . ]" 1
307 1 16 TYR QB 1 16 TYR HD1 2.500 . 3.100 2.616 2.299 2.801 . 0 0 "[ . 1 . ]" 1
308 1 16 TYR QB 1 16 TYR HD2 2.500 . 3.100 2.486 2.298 2.810 . 0 0 "[ . 1 . ]" 1
309 1 16 TYR QB 1 16 TYR HE1 3.000 . 5.000 4.500 4.343 4.589 . 0 0 "[ . 1 . ]" 1
310 1 16 TYR QB 1 16 TYR HE2 3.000 . 5.000 4.437 4.341 4.596 . 0 0 "[ . 1 . ]" 1
311 1 16 TYR QB 1 17 LEU H 3.000 . 4.000 2.868 2.796 2.901 . 0 0 "[ . 1 . ]" 1
312 1 16 TYR QB 1 17 LEU HA 3.000 . 5.000 4.680 4.660 4.695 . 0 0 "[ . 1 . ]" 1
313 1 16 TYR QB 1 17 LEU MD2 4.000 . 5.900 3.648 3.583 3.703 . 0 0 "[ . 1 . ]" 1
314 1 16 TYR QB 1 17 LEU HG 4.000 . 5.700 3.851 3.831 3.899 . 0 0 "[ . 1 . ]" 1
315 1 16 TYR QB 1 24 PHE HE1 3.000 . 5.300 4.906 4.869 4.954 . 0 0 "[ . 1 . ]" 1
316 1 16 TYR QB 1 24 PHE HE2 3.000 . 4.000 2.240 2.173 2.303 . 0 0 "[ . 1 . ]" 1
317 1 16 TYR HD1 1 17 LEU HA 3.000 . 5.100 4.178 3.612 5.101 0.001 8 0 "[ . 1 . ]" 1
318 1 16 TYR HD1 1 17 LEU HG 3.000 . 4.900 4.689 3.780 5.227 0.327 15 0 "[ . 1 . ]" 1
319 1 16 TYR HD2 1 17 LEU HA 3.000 . 5.100 4.546 3.663 5.104 0.004 9 0 "[ . 1 . ]" 1
320 1 16 TYR HD2 1 17 LEU HG 3.000 . 4.900 4.331 3.783 5.232 0.332 17 0 "[ . 1 . ]" 1
321 1 16 TYR HE1 1 17 LEU HA 3.000 . 5.700 4.345 3.793 5.266 . 0 0 "[ . 1 . ]" 1
322 1 16 TYR HE2 1 17 LEU HA 3.000 . 5.600 4.695 3.787 5.259 . 0 0 "[ . 1 . ]" 1
323 1 17 LEU H 1 17 LEU HA 3.000 . 4.000 2.799 2.767 2.817 . 0 0 "[ . 1 . ]" 1
324 1 17 LEU H 1 17 LEU HB2 4.000 . 5.900 2.746 2.729 2.779 . 0 0 "[ . 1 . ]" 1
325 1 17 LEU H 1 17 LEU HB3 3.000 . 4.000 3.593 3.583 3.609 . 0 0 "[ . 1 . ]" 1
326 1 17 LEU H 1 17 LEU HG 3.000 . 4.000 1.745 1.734 1.762 0.066 18 0 "[ . 1 . ]" 1
327 1 17 LEU H 1 18 VAL H 3.000 . 4.000 3.007 2.980 3.068 . 0 0 "[ . 1 . ]" 1
328 1 17 LEU HA 1 17 LEU HB2 2.500 . 3.100 3.018 3.015 3.021 . 0 0 "[ . 1 . ]" 1
329 1 17 LEU HA 1 17 LEU HB3 2.500 . 3.100 2.402 2.393 2.412 . 0 0 "[ . 1 . ]" 1
330 1 17 LEU HA 1 17 LEU MD1 2.500 . 4.400 3.804 3.787 3.816 . 0 0 "[ . 1 . ]" 1
331 1 17 LEU HA 1 17 LEU MD2 2.500 . 3.100 2.109 2.094 2.129 . 0 0 "[ . 1 . ]" 1
332 1 17 LEU HA 1 17 LEU HG 2.500 . 3.100 3.208 3.190 3.240 0.140 8 0 "[ . 1 . ]" 1
333 1 17 LEU HA 1 20 GLY H 4.000 . 5.900 3.801 3.617 4.364 . 0 0 "[ . 1 . ]" 1
334 1 17 LEU HB2 1 17 LEU MD1 2.500 . 3.100 2.322 2.300 2.347 . 0 0 "[ . 1 . ]" 1
335 1 17 LEU HB2 1 17 LEU MD2 2.500 . 3.700 3.190 3.187 3.195 . 0 0 "[ . 1 . ]" 1
336 1 17 LEU HB2 1 17 LEU HG 2.500 . 3.100 2.370 2.362 2.377 . 0 0 "[ . 1 . ]" 1
337 1 17 LEU HB2 1 18 VAL H 2.500 . 3.100 1.920 1.906 1.945 . 0 0 "[ . 1 . ]" 1
338 1 17 LEU HB2 1 18 VAL MG1 3.000 . 4.000 2.332 2.296 2.366 . 0 0 "[ . 1 . ]" 1
339 1 17 LEU HB3 1 17 LEU MD1 2.500 . 3.100 2.388 2.371 2.399 . 0 0 "[ . 1 . ]" 1
340 1 17 LEU HB3 1 17 LEU MD2 2.500 . 3.100 2.393 2.374 2.422 . 0 0 "[ . 1 . ]" 1
341 1 17 LEU HB3 1 17 LEU HG 2.500 . 3.100 2.977 2.973 2.979 . 0 0 "[ . 1 . ]" 1
342 1 17 LEU HB3 1 18 VAL H 2.500 . 3.100 3.243 3.227 3.279 0.179 18 0 "[ . 1 . ]" 1
343 1 17 LEU HB3 1 18 VAL MG1 3.000 . 4.400 3.639 3.603 3.676 . 0 0 "[ . 1 . ]" 1
344 1 17 LEU HG 1 18 VAL H 3.000 . 4.000 3.632 3.595 3.654 . 0 0 "[ . 1 . ]" 1
345 1 17 LEU HG 1 18 VAL HA 4.000 . 5.900 6.087 6.066 6.110 0.210 18 0 "[ . 1 . ]" 1
346 1 17 LEU HG 1 18 VAL MG1 3.000 . 4.800 3.999 3.970 4.017 . 0 0 "[ . 1 . ]" 1
347 1 18 VAL H 1 18 VAL HA 2.500 . 3.100 2.824 2.813 2.842 . 0 0 "[ . 1 . ]" 1
348 1 18 VAL H 1 18 VAL HB 2.500 . 3.100 3.291 3.276 3.308 0.208 8 0 "[ . 1 . ]" 1
349 1 18 VAL H 1 18 VAL MG1 2.500 . 3.100 1.630 1.621 1.640 0.179 19 0 "[ . 1 . ]" 1
350 1 18 VAL H 1 18 VAL MG2 2.500 . 3.800 3.236 3.202 3.258 . 0 0 "[ . 1 . ]" 1
351 1 18 VAL H 1 19 CYS H 2.500 . 3.100 2.734 2.620 2.833 . 0 0 "[ . 1 . ]" 1
352 1 18 VAL H 1 20 GLY H 4.000 . 5.900 3.972 3.734 4.293 . 0 0 "[ . 1 . ]" 1
353 1 18 VAL HA 1 18 VAL HB 2.500 . 3.100 2.256 2.250 2.266 . 0 0 "[ . 1 . ]" 1
354 1 18 VAL HA 1 18 VAL MG1 2.500 . 3.500 2.929 2.896 2.957 . 0 0 "[ . 1 . ]" 1
355 1 18 VAL HA 1 18 VAL MG2 2.500 . 3.500 2.991 2.962 3.015 . 0 0 "[ . 1 . ]" 1
356 1 18 VAL HA 1 19 CYS H 3.000 . 4.000 3.538 3.471 3.586 . 0 0 "[ . 1 . ]" 1
357 1 18 VAL HB 1 19 CYS H 2.500 . 4.200 4.203 3.961 4.365 0.165 17 0 "[ . 1 . ]" 1
358 1 18 VAL HB 1 49 LEU QD 3.000 . 4.000 2.062 1.993 2.117 . 0 0 "[ . 1 . ]" 1
359 1 18 VAL HB 1 52 LEU QD 3.000 . 4.800 3.952 3.912 4.015 . 0 0 "[ . 1 . ]" 1
360 1 18 VAL MG1 1 18 VAL MG2 2.500 . 3.100 2.074 2.057 2.081 . 0 0 "[ . 1 . ]" 1
361 1 18 VAL MG1 1 19 CYS H 3.000 . 4.000 2.901 2.634 3.072 . 0 0 "[ . 1 . ]" 1
362 1 18 VAL MG1 1 49 LEU QD 2.500 . 3.100 2.062 2.033 2.098 . 0 0 "[ . 1 . ]" 1
363 1 18 VAL MG1 1 52 LEU H 4.000 . 5.900 4.367 4.326 4.397 . 0 0 "[ . 1 . ]" 1
364 1 18 VAL MG1 1 52 LEU HB2 3.000 . 3.100 2.257 2.223 2.278 . 0 0 "[ . 1 . ]" 1
365 1 18 VAL MG1 1 52 LEU HB3 3.000 . 4.000 2.661 2.579 2.776 . 0 0 "[ . 1 . ]" 1
366 1 18 VAL MG1 1 52 LEU QD 2.500 . 3.100 1.996 1.983 2.021 . 0 0 "[ . 1 . ]" 1
367 1 18 VAL MG1 1 53 GLU H 4.000 . 5.900 4.193 4.044 4.377 . 0 0 "[ . 1 . ]" 1
368 1 18 VAL MG1 1 53 GLU HG2 4.000 . 5.900 4.744 4.698 4.810 . 0 0 "[ . 1 . ]" 1
369 1 18 VAL MG1 1 53 GLU HG3 3.000 . 4.400 3.727 3.677 3.820 . 0 0 "[ . 1 . ]" 1
370 1 18 VAL MG2 1 19 CYS H 3.000 . 4.000 2.377 1.943 2.769 . 0 0 "[ . 1 . ]" 1
371 1 18 VAL MG2 1 19 CYS HA 3.000 . 4.000 3.097 2.858 3.236 . 0 0 "[ . 1 . ]" 1
372 1 18 VAL MG2 1 52 LEU H 3.000 . 5.000 3.980 3.920 4.020 . 0 0 "[ . 1 . ]" 1
373 1 18 VAL MG2 1 52 LEU HB2 2.500 . 3.100 2.188 2.135 2.203 . 0 0 "[ . 1 . ]" 1
374 1 18 VAL MG2 1 52 LEU HB3 3.000 . 4.000 2.745 2.633 2.851 . 0 0 "[ . 1 . ]" 1
375 1 18 VAL MG2 1 53 GLU H 3.000 . 4.000 2.759 2.646 2.924 . 0 0 "[ . 1 . ]" 1
376 1 18 VAL MG2 1 53 GLU HA 2.500 . 3.100 2.069 2.029 2.101 . 0 0 "[ . 1 . ]" 1
377 1 18 VAL MG2 1 53 GLU HB2 2.500 . 4.400 3.515 3.459 3.542 . 0 0 "[ . 1 . ]" 1
378 1 18 VAL MG2 1 53 GLU HG2 2.500 . 3.100 2.281 2.268 2.337 . 0 0 "[ . 1 . ]" 1
379 1 18 VAL MG2 1 53 GLU HG3 2.500 . 3.100 2.092 2.045 2.143 . 0 0 "[ . 1 . ]" 1
380 1 18 VAL MG2 1 54 ASN H 4.000 . 5.900 4.378 4.331 4.449 . 0 0 "[ . 1 . ]" 1
381 1 18 VAL MG2 1 55 TYR H 4.000 . 5.900 4.322 4.233 4.416 . 0 0 "[ . 1 . ]" 1
382 1 19 CYS H 1 19 CYS HA 3.000 . 4.000 2.928 2.870 2.976 . 0 0 "[ . 1 . ]" 1
383 1 19 CYS H 1 19 CYS HB2 3.000 . 4.000 2.551 2.248 2.674 . 0 0 "[ . 1 . ]" 1
384 1 19 CYS H 1 19 CYS HB3 2.500 . 3.700 3.361 2.524 3.706 0.006 17 0 "[ . 1 . ]" 1
385 1 19 CYS H 1 20 GLY H 3.000 . 4.000 2.510 2.344 3.093 . 0 0 "[ . 1 . ]" 1
386 1 19 CYS H 1 20 GLY QA 4.000 . 5.900 4.397 4.266 4.658 . 0 0 "[ . 1 . ]" 1
387 1 19 CYS HA 1 19 CYS HB2 2.500 . 3.100 2.895 2.501 3.046 . 0 0 "[ . 1 . ]" 1
388 1 19 CYS HA 1 19 CYS HB3 2.500 . 3.100 2.614 2.427 3.030 . 0 0 "[ . 1 . ]" 1
389 1 19 CYS HA 1 20 GLY H 4.000 . 5.900 3.387 2.955 3.539 . 0 0 "[ . 1 . ]" 1
390 1 19 CYS HA 1 22 ARG HD3 4.000 . 5.900 4.632 2.713 5.642 . 0 0 "[ . 1 . ]" 1
391 1 19 CYS HB2 1 23 GLY H 4.000 . 5.900 4.816 3.941 5.891 . 0 0 "[ . 1 . ]" 1
392 1 19 CYS HB2 1 24 PHE HB2 4.000 . 5.900 3.801 3.503 4.086 . 0 0 "[ . 1 . ]" 1
393 1 19 CYS HB2 1 24 PHE HB3 4.000 . 5.900 2.353 2.253 2.562 . 0 0 "[ . 1 . ]" 1
394 1 19 CYS HB2 1 24 PHE HD1 3.000 . 5.500 5.588 5.496 5.673 0.173 15 0 "[ . 1 . ]" 1
395 1 19 CYS HB2 1 24 PHE HD2 3.000 . 4.000 2.927 2.298 4.012 0.012 19 0 "[ . 1 . ]" 1
396 1 19 CYS HB3 1 20 GLY H 3.000 . 4.400 3.886 2.983 4.462 0.062 18 0 "[ . 1 . ]" 1
397 1 19 CYS HB3 1 23 GLY H 4.000 . 5.900 3.971 3.039 4.890 . 0 0 "[ . 1 . ]" 1
398 1 19 CYS HB3 1 24 PHE HB2 4.000 . 5.900 4.065 3.869 4.227 . 0 0 "[ . 1 . ]" 1
399 1 19 CYS HB3 1 24 PHE HB3 4.000 . 5.900 2.426 2.314 2.521 . 0 0 "[ . 1 . ]" 1
400 1 19 CYS HB3 1 24 PHE HD1 3.000 . 6.000 5.963 5.633 6.090 0.090 13 0 "[ . 1 . ]" 1
401 1 19 CYS HB3 1 24 PHE HD2 3.000 . 4.500 3.181 2.654 3.828 . 0 0 "[ . 1 . ]" 1
402 1 20 GLY H 1 20 GLY QA 2.500 . 3.100 2.247 2.230 2.295 . 0 0 "[ . 1 . ]" 1
403 1 20 GLY QA 1 21 GLU H 3.000 . 4.000 2.202 2.130 2.271 . 0 0 "[ . 1 . ]" 1
404 1 20 GLY QA 1 21 GLU HB2 4.000 . 5.900 4.520 4.170 4.775 . 0 0 "[ . 1 . ]" 1
405 1 20 GLY QA 1 22 ARG H 3.000 . 4.000 3.216 2.983 3.462 . 0 0 "[ . 1 . ]" 1
406 1 21 GLU H 1 21 GLU HA 3.000 . 4.000 2.924 2.755 2.941 . 0 0 "[ . 1 . ]" 1
407 1 21 GLU H 1 21 GLU HB2 3.000 . 4.000 2.676 2.469 2.870 . 0 0 "[ . 1 . ]" 1
408 1 21 GLU H 1 21 GLU QG 3.000 . 4.400 2.667 1.860 4.050 . 0 0 "[ . 1 . ]" 1
409 1 21 GLU H 1 22 ARG H 3.000 . 4.000 2.477 2.326 2.911 . 0 0 "[ . 1 . ]" 1
410 1 21 GLU HA 1 21 GLU HB2 2.500 . 3.100 2.863 2.515 3.030 . 0 0 "[ . 1 . ]" 1
411 1 21 GLU HA 1 21 GLU HB3 2.500 . 3.100 2.575 2.320 3.029 . 0 0 "[ . 1 . ]" 1
412 1 21 GLU HA 1 21 GLU QG 2.500 . 3.100 2.470 2.257 2.656 . 0 0 "[ . 1 . ]" 1
413 1 21 GLU HB2 1 21 GLU QG 2.500 . 3.100 2.378 2.297 2.482 . 0 0 "[ . 1 . ]" 1
414 1 21 GLU HB2 1 22 ARG H 3.000 . 4.000 3.594 3.180 4.142 0.142 8 0 "[ . 1 . ]" 1
415 1 21 GLU QG 1 22 ARG H 3.000 . 4.500 4.067 3.981 4.177 . 0 0 "[ . 1 . ]" 1
416 1 22 ARG H 1 22 ARG HA 2.500 . 3.100 2.800 2.752 2.905 . 0 0 "[ . 1 . ]" 1
417 1 22 ARG H 1 22 ARG HB2 2.500 . 3.600 2.736 2.438 3.697 0.097 4 0 "[ . 1 . ]" 1
418 1 22 ARG H 1 22 ARG HD3 3.000 . 4.600 4.169 1.803 4.633 0.033 9 0 "[ . 1 . ]" 1
419 1 22 ARG H 1 22 ARG QG 2.500 . 4.300 2.180 1.782 4.002 0.018 5 0 "[ . 1 . ]" 1
420 1 22 ARG H 1 23 GLY H 2.500 . 3.100 2.879 2.564 3.149 0.049 8 0 "[ . 1 . ]" 1
421 1 22 ARG HA 1 22 ARG HB2 2.500 . 3.100 2.956 2.255 3.036 . 0 0 "[ . 1 . ]" 1
422 1 22 ARG HA 1 22 ARG HB3 2.500 . 3.100 2.480 2.397 2.841 . 0 0 "[ . 1 . ]" 1
423 1 22 ARG HA 1 22 ARG HD2 3.000 . 5.300 4.567 2.808 5.259 . 0 0 "[ . 1 . ]" 1
424 1 22 ARG HA 1 22 ARG HD3 3.000 . 4.900 4.216 3.058 4.731 . 0 0 "[ . 1 . ]" 1
425 1 22 ARG HA 1 22 ARG QG 2.500 . 3.800 2.545 2.317 3.452 . 0 0 "[ . 1 . ]" 1
426 1 22 ARG HA 1 23 GLY H 3.000 . 4.000 3.425 3.276 3.588 . 0 0 "[ . 1 . ]" 1
427 1 22 ARG HB2 1 22 ARG HD2 2.500 . 4.000 3.114 2.355 4.194 0.194 12 0 "[ . 1 . ]" 1
428 1 22 ARG HB2 1 22 ARG HD3 2.500 . 3.500 3.009 2.341 3.548 0.048 4 0 "[ . 1 . ]" 1
429 1 22 ARG HB2 1 22 ARG QG 2.500 . 3.100 2.324 2.131 2.440 . 0 0 "[ . 1 . ]" 1
430 1 22 ARG HB2 1 23 GLY H 3.000 . 4.400 3.232 2.128 4.530 0.130 3 0 "[ . 1 . ]" 1
431 1 22 ARG HB2 1 56 CYS HB2 3.000 . 5.800 4.704 3.596 6.094 0.294 3 0 "[ . 1 . ]" 1
432 1 22 ARG HB2 1 56 CYS HB3 4.000 . 5.900 3.793 2.304 5.515 . 0 0 "[ . 1 . ]" 1
433 1 22 ARG HB2 1 57 ASN H 3.000 . 5.400 5.394 5.042 5.750 0.350 3 0 "[ . 1 . ]" 1
434 1 22 ARG HB2 1 57 ASN HB2 4.000 . 5.900 4.941 3.661 5.982 0.082 14 0 "[ . 1 . ]" 1
435 1 22 ARG HB3 1 22 ARG HD3 2.500 . 4.000 2.589 2.239 3.602 . 0 0 "[ . 1 . ]" 1
436 1 22 ARG HB3 1 22 ARG QG 2.500 . 3.100 2.376 2.196 2.492 . 0 0 "[ . 1 . ]" 1
437 1 22 ARG HB3 1 57 ASN HB3 4.000 . 5.900 5.073 3.997 5.981 0.081 14 0 "[ . 1 . ]" 1
438 1 22 ARG HD2 1 22 ARG QG 2.500 . 3.100 2.280 2.134 2.417 . 0 0 "[ . 1 . ]" 1
439 1 22 ARG HD3 1 22 ARG QG 2.500 . 3.100 2.393 2.306 2.462 . 0 0 "[ . 1 . ]" 1
440 1 22 ARG HD3 1 56 CYS HB3 4.000 . 5.900 4.371 2.170 5.453 . 0 0 "[ . 1 . ]" 1
441 1 22 ARG QG 1 23 GLY H 4.000 . 5.900 4.055 3.374 4.728 . 0 0 "[ . 1 . ]" 1
442 1 23 GLY H 1 23 GLY HA2 2.500 . 3.100 2.408 2.357 2.636 . 0 0 "[ . 1 . ]" 1
443 1 23 GLY H 1 23 GLY HA3 2.500 . 3.100 2.945 2.877 3.006 . 0 0 "[ . 1 . ]" 1
444 1 23 GLY H 1 24 PHE H 3.000 . 4.000 3.859 3.209 4.041 0.041 13 0 "[ . 1 . ]" 1
445 1 23 GLY HA2 1 24 PHE H 2.500 . 3.100 2.183 2.107 2.279 . 0 0 "[ . 1 . ]" 1
446 1 23 GLY HA2 1 24 PHE HD1 3.000 . 5.900 6.002 5.920 6.094 0.194 12 0 "[ . 1 . ]" 1
447 1 23 GLY HA2 1 24 PHE HD2 3.000 . 5.600 3.541 3.223 4.035 . 0 0 "[ . 1 . ]" 1
448 1 23 GLY HA3 1 24 PHE H 2.500 . 3.500 3.206 3.060 3.489 . 0 0 "[ . 1 . ]" 1
449 1 24 PHE H 1 24 PHE HA 3.000 . 4.000 2.987 2.896 3.005 . 0 0 "[ . 1 . ]" 1
450 1 24 PHE H 1 24 PHE HB2 3.000 . 4.000 3.721 3.555 3.865 . 0 0 "[ . 1 . ]" 1
451 1 24 PHE H 1 24 PHE HB3 3.000 . 4.000 3.107 2.718 3.283 . 0 0 "[ . 1 . ]" 1
452 1 24 PHE H 1 24 PHE HD1 2.500 . 3.800 3.897 3.811 4.044 0.244 12 0 "[ . 1 . ]" 1
453 1 24 PHE H 1 24 PHE HD2 2.500 . 3.600 2.637 2.072 3.015 . 0 0 "[ . 1 . ]" 1
454 1 24 PHE H 1 25 PHE H 4.000 . 4.500 4.490 4.414 4.630 0.130 3 0 "[ . 1 . ]" 1
455 1 24 PHE HA 1 24 PHE HB2 2.500 . 3.100 2.524 2.462 2.565 . 0 0 "[ . 1 . ]" 1
456 1 24 PHE HA 1 24 PHE HB3 2.500 . 3.100 2.425 2.359 2.534 . 0 0 "[ . 1 . ]" 1
457 1 24 PHE HA 1 24 PHE HD1 3.000 . 4.500 4.090 3.859 4.258 . 0 0 "[ . 1 . ]" 1
458 1 24 PHE HA 1 24 PHE HD2 3.000 . 4.500 4.164 3.944 4.401 . 0 0 "[ . 1 . ]" 1
459 1 24 PHE HA 1 25 PHE H 2.500 . 3.100 2.461 2.220 2.859 . 0 0 "[ . 1 . ]" 1
460 1 24 PHE HA 1 25 PHE QB 4.000 . 5.900 4.171 3.905 4.676 . 0 0 "[ . 1 . ]" 1
461 1 24 PHE HA 1 57 ASN H 2.500 . 3.900 2.656 2.081 3.464 . 0 0 "[ . 1 . ]" 1
462 1 24 PHE HB2 1 24 PHE HD1 2.500 . 3.100 2.409 2.343 2.453 . 0 0 "[ . 1 . ]" 1
463 1 24 PHE HB2 1 24 PHE HD2 2.500 . 3.600 3.670 3.644 3.703 0.103 19 0 "[ . 1 . ]" 1
464 1 24 PHE HB2 1 25 PHE H 2.500 . 3.100 2.660 2.252 3.064 . 0 0 "[ . 1 . ]" 1
465 1 24 PHE HB2 1 55 TYR HB2 4.000 . 5.900 4.370 4.134 4.600 . 0 0 "[ . 1 . ]" 1
466 1 24 PHE HB2 1 55 TYR HB3 4.000 . 5.900 3.758 3.492 3.973 . 0 0 "[ . 1 . ]" 1
467 1 24 PHE HB2 1 56 CYS HA 3.000 . 4.000 3.689 3.478 3.940 . 0 0 "[ . 1 . ]" 1
468 1 24 PHE HB2 1 57 ASN H 4.000 . 5.900 4.828 4.340 5.513 . 0 0 "[ . 1 . ]" 1
469 1 24 PHE HB3 1 24 PHE HD1 2.500 . 3.600 3.625 3.576 3.651 0.051 4 0 "[ . 1 . ]" 1
470 1 24 PHE HB3 1 24 PHE HD2 2.500 . 3.500 2.440 2.413 2.483 . 0 0 "[ . 1 . ]" 1
471 1 24 PHE HB3 1 25 PHE H 3.000 . 4.000 3.876 3.584 4.077 0.077 14 0 "[ . 1 . ]" 1
472 1 24 PHE HB3 1 56 CYS HA 3.000 . 4.000 3.185 2.921 3.655 . 0 0 "[ . 1 . ]" 1
473 1 24 PHE HB3 1 56 CYS HB3 4.000 . 5.900 4.533 3.991 5.620 . 0 0 "[ . 1 . ]" 1
474 1 24 PHE HB3 1 57 ASN H 4.000 . 5.900 4.596 3.930 5.332 . 0 0 "[ . 1 . ]" 1
475 1 24 PHE HD1 1 25 PHE H 3.000 . 4.400 3.393 2.441 3.981 . 0 0 "[ . 1 . ]" 1
476 1 24 PHE HD1 1 26 TYR QB 3.000 . 5.000 2.753 2.255 3.875 . 0 0 "[ . 1 . ]" 1
477 1 24 PHE HD1 1 56 CYS HA 4.000 . 5.900 5.930 5.746 6.154 0.254 3 0 "[ . 1 . ]" 1
478 1 24 PHE HD2 1 56 CYS HA 4.000 . 5.900 5.292 4.826 5.838 . 0 0 "[ . 1 . ]" 1
479 1 24 PHE HE1 1 26 TYR QB 4.000 . 5.900 2.763 2.378 3.432 . 0 0 "[ . 1 . ]" 1
480 1 25 PHE H 1 25 PHE HA 3.000 . 4.000 2.956 2.894 2.997 . 0 0 "[ . 1 . ]" 1
481 1 25 PHE H 1 25 PHE QB 2.500 . 3.600 2.460 2.066 3.145 . 0 0 "[ . 1 . ]" 1
482 1 25 PHE H 1 55 TYR HB3 4.000 . 5.900 3.631 2.708 4.476 . 0 0 "[ . 1 . ]" 1
483 1 25 PHE H 1 56 CYS HA 4.000 . 5.900 3.957 3.290 5.051 . 0 0 "[ . 1 . ]" 1
484 1 25 PHE HA 1 25 PHE QB 2.500 . 3.100 2.406 2.186 2.570 . 0 0 "[ . 1 . ]" 1
485 1 25 PHE HA 1 26 TYR H 3.000 . 4.000 2.178 2.141 2.232 . 0 0 "[ . 1 . ]" 1
486 1 25 PHE HA 1 26 TYR QB 4.000 . 5.900 4.164 4.016 4.368 . 0 0 "[ . 1 . ]" 1
487 1 25 PHE QB 1 25 PHE HE1 2.500 . 4.700 4.350 4.336 4.364 . 0 0 "[ . 1 . ]" 1
488 1 25 PHE QB 1 25 PHE HE2 2.500 . 5.000 4.499 4.453 4.532 . 0 0 "[ . 1 . ]" 1
489 1 25 PHE QB 1 26 TYR H 4.000 . 5.900 3.560 3.101 3.860 . 0 0 "[ . 1 . ]" 1
490 1 25 PHE QB 1 26 TYR HA 4.000 . 5.900 4.299 3.976 4.619 . 0 0 "[ . 1 . ]" 1
491 1 26 TYR H 1 26 TYR QB 3.000 . 4.000 2.879 2.645 3.018 . 0 0 "[ . 1 . ]" 1
492 1 26 TYR HA 1 26 TYR QB 2.500 . 3.100 2.444 2.359 2.510 . 0 0 "[ . 1 . ]" 1
493 1 26 TYR HA 1 26 TYR HD1 2.500 . 4.300 2.811 2.217 3.454 . 0 0 "[ . 1 . ]" 1
494 1 26 TYR HA 1 26 TYR HD2 2.500 . 4.500 3.965 3.375 4.349 . 0 0 "[ . 1 . ]" 1
495 1 26 TYR HA 1 26 TYR HE1 4.000 . 5.900 4.697 4.406 5.010 . 0 0 "[ . 1 . ]" 1
496 1 26 TYR HA 1 26 TYR HE2 4.000 . 5.900 5.468 4.958 5.813 . 0 0 "[ . 1 . ]" 1
497 1 26 TYR HA 1 27 THR H 2.500 . 3.500 2.894 2.208 3.562 0.062 5 0 "[ . 1 . ]" 1
498 1 26 TYR QB 1 26 TYR HD1 2.500 . 3.100 2.502 2.372 3.016 . 0 0 "[ . 1 . ]" 1
499 1 26 TYR QB 1 26 TYR HD2 2.500 . 3.100 2.377 2.279 2.501 . 0 0 "[ . 1 . ]" 1
500 1 26 TYR QB 1 26 TYR HE1 3.000 . 5.000 4.464 4.375 4.661 . 0 0 "[ . 1 . ]" 1
501 1 26 TYR QB 1 26 TYR HE2 3.000 . 5.000 4.411 4.244 4.453 . 0 0 "[ . 1 . ]" 1
502 1 26 TYR QB 1 27 THR H 3.000 . 4.400 3.131 2.027 4.036 . 0 0 "[ . 1 . ]" 1
503 1 26 TYR HD1 1 38 ILE MD 4.000 . 5.900 3.990 3.235 4.873 . 0 0 "[ . 1 . ]" 1
504 1 26 TYR HD1 1 38 ILE MG 3.000 . 4.400 3.507 3.100 3.990 . 0 0 "[ . 1 . ]" 1
505 1 26 TYR HD1 1 39 VAL QG 4.000 . 5.000 3.862 3.052 4.198 . 0 0 "[ . 1 . ]" 1
506 1 26 TYR HD2 1 27 THR H 4.000 . 5.900 4.360 1.774 5.649 0.026 17 0 "[ . 1 . ]" 1
507 1 26 TYR HE1 1 38 ILE MG 3.000 . 4.000 2.570 1.997 3.342 . 0 0 "[ . 1 . ]" 1
508 1 26 TYR HE1 1 39 VAL QG 3.000 . 4.700 2.409 2.046 2.673 . 0 0 "[ . 1 . ]" 1
509 1 27 THR H 1 27 THR HA 3.000 . 4.000 2.637 2.335 2.949 . 0 0 "[ . 1 . ]" 1
510 1 27 THR H 1 27 THR HB 3.000 . 4.000 3.469 2.786 4.079 0.079 7 0 "[ . 1 . ]" 1
511 1 27 THR H 1 27 THR HG1 3.000 . 4.000 2.575 1.647 3.061 0.153 18 0 "[ . 1 . ]" 1
512 1 27 THR H 1 28 ASP H 4.000 . 5.900 4.530 4.232 4.676 . 0 0 "[ . 1 . ]" 1
513 1 27 THR HA 1 27 THR HB 2.500 . 3.100 2.798 2.272 3.028 . 0 0 "[ . 1 . ]" 1
514 1 27 THR HA 1 27 THR HG1 2.500 . 3.100 2.279 2.143 2.758 . 0 0 "[ . 1 . ]" 1
515 1 27 THR HA 1 28 ASP H 2.500 . 3.100 2.664 2.435 3.066 . 0 0 "[ . 1 . ]" 1
516 1 27 THR HA 1 28 ASP QB 4.000 . 5.900 4.324 4.036 4.605 . 0 0 "[ . 1 . ]" 1
517 1 27 THR HB 1 28 ASP H 2.500 . 3.100 2.807 1.974 3.319 0.219 8 0 "[ . 1 . ]" 1
518 1 27 THR HB 1 31 GLU QB 3.000 . 4.800 3.992 2.440 6.201 1.401 8 1 "[ . + 1 . ]" 1
519 1 27 THR HG1 1 28 ASP H 3.000 . 4.400 1.913 1.316 3.023 0.484 8 0 "[ . 1 . ]" 1
520 1 27 THR HG1 1 31 GLU QB 3.000 . 4.000 2.835 1.638 4.301 0.301 8 0 "[ . 1 . ]" 1
521 1 27 THR HG1 1 31 GLU QG 3.000 . 5.300 3.608 2.031 5.678 0.378 8 0 "[ . 1 . ]" 1
522 1 27 THR HG1 1 34 PRO HA 4.000 . 5.900 3.530 1.919 4.929 . 0 0 "[ . 1 . ]" 1
523 1 28 ASP H 1 28 ASP HA 2.500 . 3.100 2.907 2.783 2.998 . 0 0 "[ . 1 . ]" 1
524 1 28 ASP H 1 28 ASP QB 2.500 . 3.100 2.075 1.997 2.266 . 0 0 "[ . 1 . ]" 1
525 1 28 ASP H 1 29 PRO QD 3.000 . 4.900 4.357 4.208 4.501 . 0 0 "[ . 1 . ]" 1
526 1 28 ASP H 1 31 GLU QB 4.000 . 5.900 3.653 1.890 5.571 . 0 0 "[ . 1 . ]" 1
527 1 28 ASP H 1 31 GLU QG 4.000 . 5.900 4.276 1.853 7.459 1.559 11 2 "[ . - 1+ . ]" 1
528 1 28 ASP HA 1 28 ASP QB 2.500 . 3.100 2.569 2.564 2.573 . 0 0 "[ . 1 . ]" 1
529 1 28 ASP HA 1 29 PRO HB2 4.000 . 5.900 5.711 5.258 5.928 0.028 9 0 "[ . 1 . ]" 1
530 1 28 ASP HA 1 29 PRO QD 2.500 . 3.100 2.234 2.046 2.468 . 0 0 "[ . 1 . ]" 1
531 1 28 ASP HA 1 29 PRO QG 3.000 . 4.600 4.150 4.007 4.405 . 0 0 "[ . 1 . ]" 1
532 1 28 ASP HA 1 30 THR H 4.000 . 5.900 4.921 3.911 6.520 0.620 6 1 "[ .+ 1 . ]" 1
533 1 28 ASP QB 1 29 PRO QD 3.000 . 4.000 2.240 1.937 2.533 . 0 0 "[ . 1 . ]" 1
534 1 28 ASP QB 1 30 THR H 3.000 . 4.000 3.425 1.960 5.393 1.393 6 5 "[ * .+ **1 -. ]" 1
535 1 28 ASP QB 1 30 THR HG1 4.000 . 5.900 2.969 1.785 5.012 0.015 4 0 "[ . 1 . ]" 1
536 1 28 ASP QB 1 31 GLU H 3.000 . 4.500 4.004 2.173 5.940 1.440 11 5 "[ * . * 1+* . -]" 1
537 1 28 ASP QB 1 31 GLU QB 3.000 . 4.000 3.415 1.609 5.050 1.050 8 2 "[ . + 1- . ]" 1
538 1 29 PRO HA 1 29 PRO HB2 2.500 . 3.100 2.772 2.681 2.983 . 0 0 "[ . 1 . ]" 1
539 1 29 PRO HA 1 29 PRO QD 3.000 . 4.000 3.290 2.904 3.550 . 0 0 "[ . 1 . ]" 1
540 1 29 PRO HA 1 30 THR H 2.500 . 3.500 3.197 2.348 3.557 0.057 12 0 "[ . 1 . ]" 1
541 1 29 PRO HA 1 30 THR HG1 3.000 . 5.700 4.196 3.432 4.996 . 0 0 "[ . 1 . ]" 1
542 1 29 PRO HB2 1 29 PRO QD 2.500 . 3.800 3.505 3.177 3.568 . 0 0 "[ . 1 . ]" 1
543 1 29 PRO HB2 1 30 THR H 3.000 . 4.000 2.992 1.404 4.264 0.396 6 0 "[ . 1 . ]" 1
544 1 29 PRO HB2 1 30 THR HA 4.000 . 5.900 4.218 3.205 4.826 . 0 0 "[ . 1 . ]" 1
545 1 29 PRO HB2 1 30 THR HG1 3.000 . 4.000 3.128 1.922 4.693 0.693 4 2 "[ +. 1 - ]" 1
546 1 29 PRO HB3 1 29 PRO QD 3.000 . 3.700 2.939 2.555 3.525 . 0 0 "[ . 1 . ]" 1
547 1 29 PRO HB3 1 30 THR H 4.000 . 5.900 3.920 2.766 4.648 . 0 0 "[ . 1 . ]" 1
548 1 29 PRO HB3 1 30 THR HG1 3.000 . 5.400 4.311 3.585 5.335 . 0 0 "[ . 1 . ]" 1
549 1 29 PRO QD 1 30 THR H 3.000 . 4.000 3.439 1.643 4.607 0.607 10 2 "[ . + -. ]" 1
550 1 29 PRO QD 1 30 THR HG1 3.000 . 5.400 3.382 2.119 4.401 . 0 0 "[ . 1 . ]" 1
551 1 29 PRO QG 1 30 THR H 3.000 . 4.000 3.055 1.587 4.829 0.829 14 3 "[ . * - +. ]" 1
552 1 29 PRO QG 1 30 THR HG1 2.500 . 4.400 2.759 2.097 3.585 . 0 0 "[ . 1 . ]" 1
553 1 30 THR H 1 30 THR HA 2.500 . 3.100 2.817 2.406 3.000 . 0 0 "[ . 1 . ]" 1
554 1 30 THR H 1 30 THR HB 2.500 . 3.600 3.375 1.915 4.166 0.566 14 2 "[ . - +. ]" 1
555 1 30 THR H 1 30 THR HG1 2.500 . 3.100 2.012 1.561 2.930 0.239 17 0 "[ . 1 . ]" 1
556 1 30 THR H 1 31 GLU H 2.500 . 3.100 3.332 2.012 4.554 1.454 8 8 "[- * .* + 1** . **]" 1
557 1 30 THR H 1 31 GLU HA 4.000 . 5.900 5.410 4.624 6.439 0.539 8 1 "[ . + 1 . ]" 1
558 1 30 THR H 1 31 GLU QB 4.000 . 5.900 4.507 3.743 5.778 . 0 0 "[ . 1 . ]" 1
559 1 30 THR H 1 31 GLU QG 4.000 . 5.900 4.668 2.488 6.701 0.801 5 2 "[ + 1- . ]" 1
560 1 30 THR HA 1 30 THR HB 2.500 . 3.100 2.472 2.249 2.994 . 0 0 "[ . 1 . ]" 1
561 1 30 THR HA 1 30 THR HG1 2.500 . 3.100 2.437 1.909 2.881 . 0 0 "[ . 1 . ]" 1
562 1 30 THR HA 1 31 GLU H 2.500 . 3.500 3.286 2.310 3.625 0.125 13 0 "[ . 1 . ]" 1
563 1 30 THR HA 1 32 GLU H 4.000 . 5.900 4.930 2.868 6.571 0.671 19 2 "[ . - 1 . +]" 1
564 1 30 THR HB 1 31 GLU H 2.500 . 4.300 3.168 1.421 4.445 0.379 1 0 "[ . 1 . ]" 1
565 1 30 THR HG1 1 31 GLU H 3.000 . 4.000 2.097 1.325 2.898 0.475 4 0 "[ . 1 . ]" 1
566 1 30 THR HG1 1 31 GLU HA 3.000 . 5.300 3.706 3.032 4.792 . 0 0 "[ . 1 . ]" 1
567 1 30 THR HG1 1 31 GLU QG 4.000 . 5.700 3.326 1.991 4.923 . 0 0 "[ . 1 . ]" 1
568 1 30 THR HG1 1 32 GLU H 3.000 . 6.000 4.712 1.847 5.856 . 0 0 "[ . 1 . ]" 1
569 1 31 GLU H 1 31 GLU HA 2.500 . 3.100 2.633 2.336 2.989 . 0 0 "[ . 1 . ]" 1
570 1 31 GLU H 1 31 GLU QB 2.500 . 3.700 2.762 2.166 3.506 . 0 0 "[ . 1 . ]" 1
571 1 31 GLU H 1 31 GLU QG 2.500 . 4.100 2.794 1.727 4.394 0.294 4 0 "[ . 1 . ]" 1
572 1 31 GLU H 1 32 GLU H 3.000 . 3.900 3.800 2.325 4.695 0.795 8 6 "[ * +*1 * .* -]" 1
573 1 31 GLU HA 1 31 GLU QB 2.500 . 3.100 2.393 2.191 2.546 . 0 0 "[ . 1 . ]" 1
574 1 31 GLU HA 1 31 GLU QG 2.500 . 3.600 2.528 1.996 3.312 . 0 0 "[ . 1 . ]" 1
575 1 32 GLU H 1 32 GLU HA 2.500 . 3.100 2.569 2.316 3.002 . 0 0 "[ . 1 . ]" 1
576 1 32 GLU H 1 32 GLU QB 2.500 . 3.800 3.013 2.109 3.436 . 0 0 "[ . 1 . ]" 1
577 1 32 GLU H 1 32 GLU QG 2.500 . 3.100 2.929 1.754 4.247 1.147 2 4 "[ + . * 1 - . * ]" 1
578 1 32 GLU H 1 33 GLY H 3.000 . 4.000 3.660 1.825 4.619 0.619 5 2 "[ - + 1 . ]" 1
579 1 32 GLU HA 1 33 GLY H 2.500 . 3.500 2.967 2.149 3.651 0.151 18 0 "[ . 1 . ]" 1
580 1 32 GLU QB 1 33 GLY H 2.500 . 4.200 2.947 1.455 4.035 0.345 9 0 "[ . 1 . ]" 1
581 1 32 GLU QG 1 33 GLY H 3.000 . 4.900 3.720 2.204 4.599 . 0 0 "[ . 1 . ]" 1
582 1 33 GLY H 1 33 GLY HA2 2.500 . 3.100 2.710 2.336 2.991 . 0 0 "[ . 1 . ]" 1
583 1 33 GLY H 1 34 PRO HD2 3.000 . 4.800 4.415 2.228 5.161 0.361 9 0 "[ . 1 . ]" 1
584 1 33 GLY HA2 1 34 PRO HD2 2.500 . 3.700 2.522 1.704 3.942 0.242 11 0 "[ . 1 . ]" 1
585 1 33 GLY HA2 1 34 PRO HD3 2.500 . 3.600 2.584 1.954 3.577 . 0 0 "[ . 1 . ]" 1
586 1 33 GLY HA2 1 34 PRO QG 4.000 . 5.900 4.033 3.544 4.778 . 0 0 "[ . 1 . ]" 1
587 1 33 GLY HA3 1 34 PRO HD2 2.500 . 3.600 2.925 2.027 3.681 0.081 4 0 "[ . 1 . ]" 1
588 1 33 GLY HA3 1 34 PRO HD3 2.500 . 3.900 3.499 2.112 4.349 0.449 16 0 "[ . 1 . ]" 1
589 1 33 GLY HA3 1 34 PRO QG 3.000 . 5.500 4.527 3.828 5.194 . 0 0 "[ . 1 . ]" 1
590 1 34 PRO HA 1 34 PRO HB2 2.500 . 3.100 2.731 2.636 2.985 . 0 0 "[ . 1 . ]" 1
591 1 34 PRO HA 1 34 PRO HB3 2.500 . 3.100 2.323 2.242 2.369 . 0 0 "[ . 1 . ]" 1
592 1 34 PRO HA 1 34 PRO HD2 3.000 . 4.000 4.064 3.912 4.113 0.113 18 0 "[ . 1 . ]" 1
593 1 34 PRO HA 1 34 PRO HD3 3.000 . 4.000 3.604 3.173 3.941 . 0 0 "[ . 1 . ]" 1
594 1 34 PRO HA 1 34 PRO QG 2.500 . 3.800 3.450 2.901 3.524 . 0 0 "[ . 1 . ]" 1
595 1 34 PRO HA 1 35 ARG H 2.500 . 3.500 2.929 2.171 3.582 0.082 13 0 "[ . 1 . ]" 1
596 1 34 PRO HA 1 39 VAL QG 4.000 . 5.900 4.767 4.047 6.255 0.355 4 0 "[ . 1 . ]" 1
597 1 34 PRO HB2 1 34 PRO HD2 3.000 . 4.000 3.971 2.831 4.132 0.132 19 0 "[ . 1 . ]" 1
598 1 34 PRO HB2 1 34 PRO HD3 3.000 . 3.800 3.891 3.764 4.050 0.250 2 0 "[ . 1 . ]" 1
599 1 34 PRO HB2 1 35 ARG H 4.000 . 5.900 2.902 1.447 4.364 0.353 4 0 "[ . 1 . ]" 1
600 1 34 PRO HB2 1 39 VAL QG 4.000 . 5.900 2.927 2.001 4.637 . 0 0 "[ . 1 . ]" 1
601 1 34 PRO HB3 1 34 PRO HD2 3.000 . 3.800 3.831 3.761 4.039 0.239 12 0 "[ . 1 . ]" 1
602 1 34 PRO HB3 1 34 PRO HD3 3.000 . 4.000 2.992 2.688 4.085 0.085 11 0 "[ . 1 . ]" 1
603 1 34 PRO HB3 1 35 ARG H 4.000 . 5.900 3.813 3.065 4.711 . 0 0 "[ . 1 . ]" 1
604 1 34 PRO HB3 1 39 VAL QG 3.000 . 4.400 3.397 2.250 5.295 0.895 5 2 "[ -+ 1 . ]" 1
605 1 34 PRO HD2 1 34 PRO QG 2.500 . 3.100 2.204 2.170 2.264 . 0 0 "[ . 1 . ]" 1
606 1 34 PRO HD3 1 34 PRO QG 2.500 . 3.100 2.241 2.184 2.296 . 0 0 "[ . 1 . ]" 1
607 1 34 PRO HD3 1 35 ARG H 4.000 . 5.900 4.833 4.151 5.923 0.023 11 0 "[ . 1 . ]" 1
608 1 34 PRO QG 1 35 ARG H 4.000 . 5.900 3.427 1.559 4.764 0.241 8 0 "[ . 1 . ]" 1
609 1 34 PRO QG 1 36 ARG QD 3.000 . 4.800 3.968 2.043 6.478 1.678 15 3 "[ . 1 * +- ]" 1
610 1 34 PRO QG 1 38 ILE MG 4.000 . 5.900 4.193 2.984 5.778 . 0 0 "[ . 1 . ]" 1
611 1 34 PRO QG 1 39 VAL QG 4.000 . 4.000 2.317 1.301 3.878 0.499 15 0 "[ . 1 . ]" 1
612 1 35 ARG H 1 35 ARG QB 2.500 . 3.700 2.739 2.197 3.241 . 0 0 "[ . 1 . ]" 1
613 1 35 ARG H 1 35 ARG QD 4.000 . 5.900 4.491 1.584 5.573 0.216 7 0 "[ . 1 . ]" 1
614 1 35 ARG H 1 35 ARG QG 2.500 . 4.900 3.669 1.702 4.366 0.098 11 0 "[ . 1 . ]" 1
615 1 35 ARG HA 1 35 ARG QD 3.000 . 4.800 3.849 2.385 4.559 . 0 0 "[ . 1 . ]" 1
616 1 35 ARG QB 1 35 ARG QD 2.500 . 3.600 2.223 2.031 2.627 . 0 0 "[ . 1 . ]" 1
617 1 35 ARG QB 1 38 ILE MG 4.000 . 5.900 3.603 2.382 6.166 0.266 7 0 "[ . 1 . ]" 1
618 1 35 ARG QB 1 55 TYR QE 3.000 . 4.400 3.833 2.243 6.267 1.867 7 3 "[ . + *- . ]" 1
619 1 35 ARG QD 1 55 TYR QE 4.000 . 5.900 2.979 1.708 4.711 0.092 9 0 "[ . 1 . ]" 1
620 1 35 ARG QG 1 38 ILE MG 4.000 . 5.900 4.110 2.804 5.615 . 0 0 "[ . 1 . ]" 1
621 1 35 ARG QG 1 55 TYR QE 4.000 . 5.900 3.923 2.622 5.390 . 0 0 "[ . 1 . ]" 1
622 1 36 ARG H 1 36 ARG HA 2.500 . 3.100 2.461 2.318 2.960 . 0 0 "[ . 1 . ]" 1
623 1 36 ARG H 1 36 ARG QB 2.500 . 3.600 2.939 2.099 3.521 . 0 0 "[ . 1 . ]" 1
624 1 36 ARG H 1 36 ARG QD 4.000 . 5.900 3.385 1.545 4.521 0.255 7 0 "[ . 1 . ]" 1
625 1 36 ARG H 1 36 ARG QG 3.000 . 4.500 3.442 2.344 4.379 . 0 0 "[ . 1 . ]" 1
626 1 36 ARG HA 1 36 ARG QB 2.500 . 3.100 2.472 2.208 2.552 . 0 0 "[ . 1 . ]" 1
627 1 36 ARG HA 1 36 ARG QD 2.500 . 3.100 2.690 1.641 4.163 1.063 15 4 "[ .- 1 **+ ]" 1
628 1 36 ARG HA 1 36 ARG QG 2.500 . 3.100 2.379 1.967 3.054 . 0 0 "[ . 1 . ]" 1
629 1 36 ARG HA 1 37 GLY H 3.000 . 4.000 2.482 2.061 3.099 . 0 0 "[ . 1 . ]" 1
630 1 36 ARG HA 1 39 VAL QG 4.000 . 5.900 3.873 3.049 4.345 . 0 0 "[ . 1 . ]" 1
631 1 36 ARG QB 1 36 ARG QD 2.500 . 3.100 2.216 1.934 2.785 . 0 0 "[ . 1 . ]" 1
632 1 36 ARG QB 1 37 GLY H 4.000 . 5.900 3.514 2.109 4.018 . 0 0 "[ . 1 . ]" 1
633 1 36 ARG QD 1 40 GLU QG 3.000 . 4.000 3.618 1.850 5.379 1.379 15 3 "[ . 1 - + * ]" 1
634 1 36 ARG QG 1 40 GLU QG 4.000 . 5.100 3.218 1.952 4.972 . 0 0 "[ . 1 . ]" 1
635 1 37 GLY H 1 37 GLY QA 2.500 . 3.100 2.457 2.248 2.532 . 0 0 "[ . 1 . ]" 1
636 1 37 GLY QA 1 38 ILE H 2.500 . 3.100 2.439 2.233 2.714 . 0 0 "[ . 1 . ]" 1
637 1 37 GLY QA 1 39 VAL H 4.000 . 5.900 4.131 3.855 4.373 . 0 0 "[ . 1 . ]" 1
638 1 37 GLY QA 1 55 TYR QE 3.000 . 5.900 4.969 4.876 5.058 . 0 0 "[ . 1 . ]" 1
639 1 38 ILE H 1 38 ILE HG13 4.000 . 5.900 4.370 4.276 4.463 . 0 0 "[ . 1 . ]" 1
640 1 38 ILE H 1 38 ILE MG 2.500 . 3.100 2.178 1.969 2.367 . 0 0 "[ . 1 . ]" 1
641 1 38 ILE H 1 39 VAL H 3.000 . 4.000 2.618 2.410 2.862 . 0 0 "[ . 1 . ]" 1
642 1 38 ILE H 1 55 TYR QE 4.000 . 5.900 3.548 3.481 3.686 . 0 0 "[ . 1 . ]" 1
643 1 38 ILE HA 1 38 ILE HG13 4.000 . 5.900 2.477 2.404 2.525 . 0 0 "[ . 1 . ]" 1
644 1 38 ILE HA 1 39 VAL H 3.000 . 4.000 3.534 3.519 3.549 . 0 0 "[ . 1 . ]" 1
645 1 38 ILE HA 1 55 TYR QE 4.000 . 5.900 4.520 4.390 4.585 . 0 0 "[ . 1 . ]" 1
646 1 38 ILE MD 1 38 ILE MG 2.500 . 3.100 1.921 1.891 1.963 . 0 0 "[ . 1 . ]" 1
647 1 38 ILE MD 1 42 CYS HB2 4.000 . 5.900 4.304 3.882 4.482 . 0 0 "[ . 1 . ]" 1
648 1 38 ILE MD 1 42 CYS HB3 4.000 . 5.900 4.737 4.246 5.016 . 0 0 "[ . 1 . ]" 1
649 1 38 ILE MD 1 52 LEU QD 3.000 . 6.000 1.960 1.943 1.989 . 0 0 "[ . 1 . ]" 1
650 1 38 ILE MD 1 55 TYR HB2 4.000 . 5.900 4.140 4.010 4.265 . 0 0 "[ . 1 . ]" 1
651 1 38 ILE MD 1 55 TYR HB3 4.000 . 5.900 4.282 4.185 4.383 . 0 0 "[ . 1 . ]" 1
652 1 38 ILE MD 1 55 TYR HD1 3.000 . 5.500 4.397 4.279 4.492 . 0 0 "[ . 1 . ]" 1
653 1 38 ILE MD 1 55 TYR HD2 3.000 . 4.000 3.025 2.881 3.135 . 0 0 "[ . 1 . ]" 1
654 1 38 ILE MD 1 55 TYR QE 4.000 . 5.900 2.650 2.600 2.687 . 0 0 "[ . 1 . ]" 1
655 1 38 ILE HG12 1 38 ILE MG 3.000 . 4.000 2.375 2.240 2.516 . 0 0 "[ . 1 . ]" 1
656 1 38 ILE HG13 1 38 ILE MG 3.000 . 4.000 3.202 3.179 3.225 . 0 0 "[ . 1 . ]" 1
657 1 38 ILE MG 1 39 VAL H 2.500 . 3.100 1.698 1.620 1.735 0.180 8 0 "[ . 1 . ]" 1
658 1 38 ILE MG 1 39 VAL HB 3.000 . 4.000 3.253 3.212 3.282 . 0 0 "[ . 1 . ]" 1
659 1 38 ILE MG 1 39 VAL QG 2.500 . 3.100 1.974 1.966 1.992 . 0 0 "[ . 1 . ]" 1
660 1 38 ILE MG 1 55 TYR HD2 4.000 . 5.900 3.681 3.594 3.908 . 0 0 "[ . 1 . ]" 1
661 1 38 ILE MG 1 55 TYR QE 3.000 . 4.000 2.446 2.327 2.646 . 0 0 "[ . 1 . ]" 1
662 1 39 VAL H 1 39 VAL HA 3.000 . 4.000 2.840 2.816 2.866 . 0 0 "[ . 1 . ]" 1
663 1 39 VAL H 1 39 VAL HB 2.500 . 3.100 2.241 2.200 2.280 . 0 0 "[ . 1 . ]" 1
664 1 39 VAL H 1 39 VAL QG 3.000 . 3.100 2.212 2.165 2.281 . 0 0 "[ . 1 . ]" 1
665 1 39 VAL H 1 40 GLU H 3.000 . 4.000 2.885 2.803 2.960 . 0 0 "[ . 1 . ]" 1
666 1 39 VAL H 1 40 GLU QB 4.000 . 5.900 4.964 4.805 5.130 . 0 0 "[ . 1 . ]" 1
667 1 39 VAL HA 1 39 VAL HB 3.000 . 4.000 3.015 3.010 3.019 . 0 0 "[ . 1 . ]" 1
668 1 39 VAL HA 1 39 VAL QG 3.000 . 3.100 2.056 2.051 2.061 . 0 0 "[ . 1 . ]" 1
669 1 39 VAL HA 1 40 GLU H 4.000 . 5.900 3.572 3.557 3.589 . 0 0 "[ . 1 . ]" 1
670 1 39 VAL HB 1 40 GLU H 3.000 . 4.000 2.178 2.143 2.240 . 0 0 "[ . 1 . ]" 1
671 1 39 VAL MG1 1 39 VAL MG2 2.500 . 3.100 2.048 2.041 2.055 . 0 0 "[ . 1 . ]" 1
672 1 39 VAL QG 1 40 GLU H 3.000 . 4.400 2.601 2.529 2.658 . 0 0 "[ . 1 . ]" 1
673 1 39 VAL QG 1 40 GLU QB 3.000 . 5.600 4.029 4.004 4.072 . 0 0 "[ . 1 . ]" 1
674 1 39 VAL QG 1 40 GLU QG 4.000 . 4.000 2.742 2.680 2.836 . 0 0 "[ . 1 . ]" 1
675 1 39 VAL QG 1 43 CYS H 4.000 . 5.900 3.577 3.288 3.754 . 0 0 "[ . 1 . ]" 1
676 1 39 VAL QG 1 43 CYS HB2 3.000 . 4.000 2.587 2.276 2.775 . 0 0 "[ . 1 . ]" 1
677 1 39 VAL QG 1 43 CYS HB3 3.000 . 4.000 2.839 2.700 2.956 . 0 0 "[ . 1 . ]" 1
678 1 40 GLU H 1 40 GLU QB 2.500 . 3.100 2.674 2.549 2.846 . 0 0 "[ . 1 . ]" 1
679 1 40 GLU H 1 40 GLU QG 2.500 . 3.100 1.826 1.702 1.986 0.098 3 0 "[ . 1 . ]" 1
680 1 40 GLU H 1 41 GLN HA 3.000 . 5.500 5.408 5.327 5.524 0.024 7 0 "[ . 1 . ]" 1
681 1 40 GLU QB 1 43 CYS HB3 4.000 . 5.900 5.330 5.250 5.401 . 0 0 "[ . 1 . ]" 1
682 1 41 GLN H 1 41 GLN QB 3.000 . 4.000 2.368 2.265 2.592 . 0 0 "[ . 1 . ]" 1
683 1 41 GLN HA 1 41 GLN HE21 4.000 . 5.900 4.417 3.086 5.066 . 0 0 "[ . 1 . ]" 1
684 1 41 GLN HA 1 41 GLN HG2 2.500 . 3.600 3.157 2.443 3.664 0.064 14 0 "[ . 1 . ]" 1
685 1 41 GLN HA 1 41 GLN HG3 2.500 . 3.600 2.540 2.339 3.712 0.112 14 0 "[ . 1 . ]" 1
686 1 41 GLN HA 1 42 CYS H 4.000 . 5.900 3.567 3.531 3.598 . 0 0 "[ . 1 . ]" 1
687 1 41 GLN HA 1 43 CYS H 4.000 . 5.900 4.766 4.249 5.207 . 0 0 "[ . 1 . ]" 1
688 1 41 GLN HA 1 45 SER HB2 2.500 . 3.700 3.044 2.367 3.765 0.065 18 0 "[ . 1 . ]" 1
689 1 41 GLN HA 1 45 SER HB3 3.000 . 4.400 4.158 3.338 4.467 0.067 6 0 "[ . 1 . ]" 1
690 1 41 GLN QB 1 41 GLN HE21 3.000 . 4.000 2.252 1.796 3.415 0.004 13 0 "[ . 1 . ]" 1
691 1 41 GLN QB 1 41 GLN HE22 3.000 . 4.000 3.382 3.163 3.836 . 0 0 "[ . 1 . ]" 1
692 1 41 GLN QB 1 41 GLN HG2 2.500 . 3.100 2.312 2.192 2.428 . 0 0 "[ . 1 . ]" 1
693 1 41 GLN QB 1 41 GLN HG3 2.500 . 3.100 2.395 2.292 2.439 . 0 0 "[ . 1 . ]" 1
694 1 41 GLN QB 1 42 CYS H 3.000 . 4.000 2.527 2.076 3.467 . 0 0 "[ . 1 . ]" 1
695 1 41 GLN QB 1 45 SER HB2 4.000 . 5.900 4.592 2.990 5.350 . 0 0 "[ . 1 . ]" 1
696 1 41 GLN HE21 1 41 GLN HG2 2.500 . 3.100 2.742 2.354 3.261 0.161 8 0 "[ . 1 . ]" 1
697 1 41 GLN HE22 1 41 GLN HG2 2.500 . 3.900 3.713 3.554 3.936 0.036 8 0 "[ . 1 . ]" 1
698 1 41 GLN HG2 1 45 SER HB3 4.000 . 5.900 4.292 2.844 5.833 . 0 0 "[ . 1 . ]" 1
699 1 41 GLN HG3 1 42 CYS H 4.000 . 5.900 4.441 2.661 5.006 . 0 0 "[ . 1 . ]" 1
700 1 41 GLN HG3 1 45 SER HB2 3.000 . 4.900 3.699 2.798 4.943 0.043 14 0 "[ . 1 . ]" 1
701 1 41 GLN HG3 1 45 SER HB3 4.000 . 5.900 4.015 3.227 5.947 0.047 7 0 "[ . 1 . ]" 1
702 1 42 CYS H 1 43 CYS H 3.000 . 4.000 2.544 2.387 2.857 . 0 0 "[ . 1 . ]" 1
703 1 42 CYS HA 1 42 CYS HB2 3.000 . 4.000 2.808 2.487 3.035 . 0 0 "[ . 1 . ]" 1
704 1 43 CYS H 1 43 CYS HB2 3.000 . 4.000 2.598 2.433 2.710 . 0 0 "[ . 1 . ]" 1
705 1 43 CYS H 1 43 CYS HB3 3.000 . 4.000 2.575 2.524 2.650 . 0 0 "[ . 1 . ]" 1
706 1 43 CYS HA 1 43 CYS HB2 3.000 . 4.000 2.487 2.474 2.521 . 0 0 "[ . 1 . ]" 1
707 1 43 CYS HA 1 43 CYS HB3 3.000 . 4.000 3.036 3.030 3.043 . 0 0 "[ . 1 . ]" 1
708 1 44 HIS HA 1 44 HIS HD1 3.000 . 4.000 2.799 1.868 3.235 . 0 0 "[ . 1 . ]" 1
709 1 45 SER H 1 45 SER HB2 3.000 . 4.000 2.763 2.583 3.108 . 0 0 "[ . 1 . ]" 1
710 1 45 SER HA 1 45 SER HB2 2.500 . 3.100 2.905 2.576 3.024 . 0 0 "[ . 1 . ]" 1
711 1 45 SER HA 1 45 SER HB3 2.500 . 3.100 2.737 2.358 3.026 . 0 0 "[ . 1 . ]" 1
712 1 45 SER HA 1 46 ILE H 3.000 . 4.000 2.675 2.592 2.801 . 0 0 "[ . 1 . ]" 1
713 1 45 SER HB2 1 46 ILE H 2.500 . 3.900 3.524 2.968 3.817 . 0 0 "[ . 1 . ]" 1
714 1 45 SER HB2 1 46 ILE HB 4.000 . 5.900 5.787 4.754 6.048 0.148 15 0 "[ . 1 . ]" 1
715 1 46 ILE H 1 46 ILE HA 3.000 . 4.000 2.922 2.866 2.992 . 0 0 "[ . 1 . ]" 1
716 1 46 ILE H 1 46 ILE HB 2.500 . 3.100 2.623 2.472 2.820 . 0 0 "[ . 1 . ]" 1
717 1 46 ILE H 1 46 ILE MD 4.000 . 5.900 3.579 3.287 3.906 . 0 0 "[ . 1 . ]" 1
718 1 46 ILE H 1 46 ILE HG12 3.000 . 4.400 2.188 1.816 3.358 . 0 0 "[ . 1 . ]" 1
719 1 46 ILE H 1 46 ILE HG13 3.000 . 4.000 3.254 2.386 3.583 . 0 0 "[ . 1 . ]" 1
720 1 46 ILE H 1 46 ILE MG 3.000 . 4.500 3.804 3.768 3.854 . 0 0 "[ . 1 . ]" 1
721 1 46 ILE HA 1 46 ILE HB 3.000 . 4.000 3.032 3.024 3.037 . 0 0 "[ . 1 . ]" 1
722 1 46 ILE HA 1 46 ILE MD 3.000 . 4.000 2.431 2.234 3.648 . 0 0 "[ . 1 . ]" 1
723 1 46 ILE HA 1 46 ILE HG12 3.000 . 4.000 2.896 2.335 3.190 . 0 0 "[ . 1 . ]" 1
724 1 46 ILE HA 1 46 ILE HG13 3.000 . 4.000 3.805 3.202 3.994 . 0 0 "[ . 1 . ]" 1
725 1 46 ILE HA 1 46 ILE MG 2.500 . 3.700 2.265 2.201 2.429 . 0 0 "[ . 1 . ]" 1
726 1 46 ILE HB 1 46 ILE MD 2.500 . 3.700 3.113 2.500 3.201 . 0 0 "[ . 1 . ]" 1
727 1 46 ILE HB 1 46 ILE HG12 3.000 . 4.000 2.662 2.583 3.030 . 0 0 "[ . 1 . ]" 1
728 1 46 ILE HB 1 46 ILE HG13 2.500 . 3.100 2.348 2.317 2.378 . 0 0 "[ . 1 . ]" 1
729 1 46 ILE MD 1 46 ILE MG 2.500 . 3.100 1.857 1.804 1.901 . 0 0 "[ . 1 . ]" 1
730 1 46 ILE HG12 1 46 ILE MG 2.500 . 3.600 3.096 2.472 3.179 . 0 0 "[ . 1 . ]" 1
731 1 46 ILE HG13 1 46 ILE MG 2.500 . 3.700 2.589 2.451 3.191 . 0 0 "[ . 1 . ]" 1
732 1 48 SER HA 1 48 SER HB2 2.500 . 3.100 2.837 2.703 3.019 . 0 0 "[ . 1 . ]" 1
733 1 48 SER HA 1 48 SER HB3 2.500 . 3.100 2.835 2.595 2.989 . 0 0 "[ . 1 . ]" 1
734 1 48 SER HA 1 49 LEU H 2.500 . 3.100 2.362 2.286 2.422 . 0 0 "[ . 1 . ]" 1
735 1 48 SER HA 1 49 LEU HB3 4.000 . 5.900 4.284 4.233 4.314 . 0 0 "[ . 1 . ]" 1
736 1 48 SER HA 1 50 GLU H 3.000 . 4.000 4.070 4.019 4.123 0.123 12 0 "[ . 1 . ]" 1
737 1 48 SER HA 1 51 GLN H 4.000 . 5.900 4.425 4.340 4.480 . 0 0 "[ . 1 . ]" 1
738 1 48 SER HB2 1 49 LEU H 2.500 . 4.000 4.048 3.987 4.117 0.117 7 0 "[ . 1 . ]" 1
739 1 48 SER HB2 1 50 GLU H 2.500 . 4.400 4.426 4.342 4.485 0.085 17 0 "[ . 1 . ]" 1
740 1 48 SER HB2 1 50 GLU HB3 4.000 . 5.900 5.948 5.903 5.979 0.079 19 0 "[ . 1 . ]" 1
741 1 48 SER HB2 1 51 GLN H 3.000 . 4.000 3.625 3.180 3.956 . 0 0 "[ . 1 . ]" 1
742 1 48 SER HB2 1 51 GLN QG 4.000 . 5.900 4.727 3.633 5.369 . 0 0 "[ . 1 . ]" 1
743 1 48 SER HB3 1 49 LEU H 2.500 . 3.100 3.023 2.797 3.160 0.060 15 0 "[ . 1 . ]" 1
744 1 48 SER HB3 1 50 GLU H 2.500 . 3.100 2.884 2.789 3.009 . 0 0 "[ . 1 . ]" 1
745 1 48 SER HB3 1 50 GLU HB2 4.000 . 5.900 2.861 2.782 2.961 . 0 0 "[ . 1 . ]" 1
746 1 48 SER HB3 1 51 GLN H 3.000 . 4.000 2.355 2.154 2.626 . 0 0 "[ . 1 . ]" 1
747 1 48 SER HB3 1 51 GLN QG 3.000 . 5.300 4.790 4.683 4.918 . 0 0 "[ . 1 . ]" 1
748 1 49 LEU H 1 49 LEU HA 2.500 . 3.100 2.926 2.913 2.943 . 0 0 "[ . 1 . ]" 1
749 1 49 LEU H 1 49 LEU HB3 2.500 . 3.100 2.083 2.068 2.109 . 0 0 "[ . 1 . ]" 1
750 1 49 LEU H 1 49 LEU QD 2.500 . 4.800 3.684 3.668 3.709 . 0 0 "[ . 1 . ]" 1
751 1 49 LEU H 1 49 LEU HG 2.500 . 3.700 3.827 3.744 3.905 0.205 7 0 "[ . 1 . ]" 1
752 1 49 LEU H 1 50 GLU H 2.500 . 3.100 2.192 2.147 2.258 . 0 0 "[ . 1 . ]" 1
753 1 49 LEU H 1 50 GLU HB2 3.000 . 4.000 4.219 4.198 4.258 0.258 3 0 "[ . 1 . ]" 1
754 1 49 LEU H 1 50 GLU QG 4.000 . 5.900 3.478 3.388 3.621 . 0 0 "[ . 1 . ]" 1
755 1 49 LEU H 1 51 GLN H 3.000 . 4.000 3.556 3.481 3.621 . 0 0 "[ . 1 . ]" 1
756 1 49 LEU HA 1 49 LEU HB2 2.500 . 3.100 2.313 2.306 2.320 . 0 0 "[ . 1 . ]" 1
757 1 49 LEU HA 1 49 LEU HB3 2.500 . 3.100 2.974 2.966 2.982 . 0 0 "[ . 1 . ]" 1
758 1 49 LEU HA 1 49 LEU QD 2.500 . 3.100 2.263 2.245 2.282 . 0 0 "[ . 1 . ]" 1
759 1 49 LEU HA 1 49 LEU HG 3.000 . 4.000 3.541 3.493 3.601 . 0 0 "[ . 1 . ]" 1
760 1 49 LEU HA 1 50 GLU H 3.000 . 4.000 3.469 3.443 3.491 . 0 0 "[ . 1 . ]" 1
761 1 49 LEU HA 1 52 LEU HB2 2.500 . 3.100 3.285 3.233 3.335 0.235 19 0 "[ . 1 . ]" 1
762 1 49 LEU HA 1 52 LEU HB3 3.000 . 4.400 4.582 4.534 4.664 0.264 19 0 "[ . 1 . ]" 1
763 1 49 LEU HA 1 52 LEU QD 2.500 . 3.100 2.164 2.128 2.213 . 0 0 "[ . 1 . ]" 1
764 1 49 LEU HA 1 53 GLU H 4.000 . 5.900 4.491 4.310 4.660 . 0 0 "[ . 1 . ]" 1
765 1 49 LEU HB2 1 49 LEU QD 2.500 . 3.100 2.115 2.093 2.141 . 0 0 "[ . 1 . ]" 1
766 1 49 LEU HB2 1 49 LEU HG 2.500 . 3.100 3.030 3.028 3.033 . 0 0 "[ . 1 . ]" 1
767 1 49 LEU HB3 1 49 LEU QD 2.500 . 3.100 2.275 2.240 2.302 . 0 0 "[ . 1 . ]" 1
768 1 49 LEU HB3 1 49 LEU HG 2.500 . 3.100 2.461 2.447 2.472 . 0 0 "[ . 1 . ]" 1
769 1 49 LEU HB3 1 50 GLU H 2.500 . 3.100 2.851 2.745 2.974 . 0 0 "[ . 1 . ]" 1
770 1 49 LEU HB3 1 50 GLU HA 4.000 . 5.900 4.842 4.770 4.925 . 0 0 "[ . 1 . ]" 1
771 1 49 LEU HB3 1 50 GLU HB2 4.000 . 5.900 5.216 5.129 5.315 . 0 0 "[ . 1 . ]" 1
772 1 49 LEU HB3 1 50 GLU QG 4.000 . 5.900 3.611 3.549 3.657 . 0 0 "[ . 1 . ]" 1
773 1 49 LEU HB3 1 51 GLN H 4.000 . 5.900 4.792 4.686 4.932 . 0 0 "[ . 1 . ]" 1
774 1 49 LEU QD 1 50 GLU H 3.000 . 4.800 3.560 3.527 3.621 . 0 0 "[ . 1 . ]" 1
775 1 49 LEU QD 1 50 GLU HA 3.000 . 5.700 3.570 3.393 3.671 . 0 0 "[ . 1 . ]" 1
776 1 49 LEU QD 1 50 GLU QG 4.000 . 5.100 3.563 3.528 3.591 . 0 0 "[ . 1 . ]" 1
777 1 49 LEU QD 1 51 GLN H 4.000 . 5.900 4.355 4.309 4.468 . 0 0 "[ . 1 . ]" 1
778 1 49 LEU QD 1 52 LEU HB2 3.000 . 4.000 2.498 2.423 2.694 . 0 0 "[ . 1 . ]" 1
779 1 49 LEU QD 1 53 GLU H 4.000 . 5.900 3.323 3.159 3.580 . 0 0 "[ . 1 . ]" 1
780 1 49 LEU QD 1 53 GLU HB2 4.000 . 5.900 3.641 3.538 3.782 . 0 0 "[ . 1 . ]" 1
781 1 49 LEU QD 1 53 GLU HG2 3.000 . 5.700 3.720 3.650 3.789 . 0 0 "[ . 1 . ]" 1
782 1 49 LEU QD 1 53 GLU HG3 3.000 . 4.000 2.277 2.243 2.382 . 0 0 "[ . 1 . ]" 1
783 1 49 LEU HG 1 50 GLU H 3.000 . 4.000 2.948 2.889 3.077 . 0 0 "[ . 1 . ]" 1
784 1 49 LEU HG 1 50 GLU HA 3.000 . 4.000 3.184 3.143 3.263 . 0 0 "[ . 1 . ]" 1
785 1 49 LEU HG 1 50 GLU QG 3.000 . 4.000 3.096 3.003 3.174 . 0 0 "[ . 1 . ]" 1
786 1 49 LEU HG 1 53 GLU HG3 3.000 . 4.000 4.004 3.893 4.084 0.084 8 0 "[ . 1 . ]" 1
787 1 50 GLU H 1 50 GLU HA 2.500 . 3.100 2.830 2.804 2.855 . 0 0 "[ . 1 . ]" 1
788 1 50 GLU H 1 50 GLU HB3 2.500 . 3.500 3.534 3.524 3.542 0.042 18 0 "[ . 1 . ]" 1
789 1 50 GLU H 1 50 GLU QG 2.500 . 3.100 1.991 1.957 2.036 . 0 0 "[ . 1 . ]" 1
790 1 50 GLU H 1 51 GLN H 2.500 . 3.100 2.459 2.403 2.532 . 0 0 "[ . 1 . ]" 1
791 1 50 GLU H 1 51 GLN HB3 3.000 . 4.400 4.520 4.470 4.615 0.215 12 0 "[ . 1 . ]" 1
792 1 50 GLU H 1 52 LEU H 3.000 . 4.000 4.026 3.988 4.063 0.063 17 0 "[ . 1 . ]" 1
793 1 50 GLU HA 1 50 GLU HB2 2.500 . 3.100 3.024 3.020 3.026 . 0 0 "[ . 1 . ]" 1
794 1 50 GLU HA 1 50 GLU HB3 2.500 . 3.100 2.481 2.470 2.498 . 0 0 "[ . 1 . ]" 1
795 1 50 GLU HA 1 50 GLU QG 2.500 . 3.100 2.305 2.284 2.321 . 0 0 "[ . 1 . ]" 1
796 1 50 GLU HA 1 51 GLN H 2.500 . 3.100 3.367 3.338 3.393 0.293 15 0 "[ . 1 . ]" 1
797 1 50 GLU HA 1 52 LEU H 3.000 . 4.000 3.949 3.864 4.033 0.033 17 0 "[ . 1 . ]" 1
798 1 50 GLU HA 1 53 GLU H 3.000 . 4.000 3.396 3.231 3.559 . 0 0 "[ . 1 . ]" 1
799 1 50 GLU HA 1 54 ASN H 4.000 . 5.900 4.989 4.814 5.225 . 0 0 "[ . 1 . ]" 1
800 1 50 GLU HB3 1 50 GLU QG 2.500 . 3.100 2.442 2.433 2.447 . 0 0 "[ . 1 . ]" 1
801 1 50 GLU HB3 1 51 GLN H 2.500 . 3.600 3.799 3.767 3.820 0.220 2 0 "[ . 1 . ]" 1
802 1 50 GLU QG 1 51 GLN H 2.500 . 4.000 3.842 3.817 3.873 . 0 0 "[ . 1 . ]" 1
803 1 51 GLN H 1 51 GLN HA 2.500 . 3.100 2.907 2.893 2.914 . 0 0 "[ . 1 . ]" 1
804 1 51 GLN H 1 51 GLN HB3 2.500 . 3.100 2.344 2.253 2.451 . 0 0 "[ . 1 . ]" 1
805 1 51 GLN H 1 51 GLN QG 2.500 . 4.300 3.937 3.906 4.052 . 0 0 "[ . 1 . ]" 1
806 1 51 GLN H 1 52 LEU H 2.500 . 3.100 2.508 2.490 2.538 . 0 0 "[ . 1 . ]" 1
807 1 51 GLN H 1 52 LEU HB2 4.000 . 5.900 4.834 4.747 4.917 . 0 0 "[ . 1 . ]" 1
808 1 51 GLN H 1 52 LEU QD 4.000 . 5.900 4.322 4.245 4.387 . 0 0 "[ . 1 . ]" 1
809 1 51 GLN H 1 52 LEU HG 4.000 . 5.900 3.787 3.714 3.880 . 0 0 "[ . 1 . ]" 1
810 1 51 GLN HA 1 51 GLN HB3 2.500 . 3.100 3.023 3.012 3.029 . 0 0 "[ . 1 . ]" 1
811 1 51 GLN HA 1 51 GLN HE21 3.000 . 4.500 3.905 1.905 4.602 0.102 17 0 "[ . 1 . ]" 1
812 1 51 GLN HA 1 51 GLN QG 2.500 . 3.100 2.516 2.451 2.856 . 0 0 "[ . 1 . ]" 1
813 1 51 GLN HA 1 54 ASN HD21 3.000 . 4.000 2.650 1.984 3.586 . 0 0 "[ . 1 . ]" 1
814 1 51 GLN HA 1 54 ASN HD22 3.000 . 4.000 2.912 2.421 3.407 . 0 0 "[ . 1 . ]" 1
815 1 51 GLN HB2 1 51 GLN HE21 3.000 . 4.000 2.331 1.849 3.476 . 0 0 "[ . 1 . ]" 1
816 1 51 GLN HB2 1 51 GLN QG 2.500 . 3.100 2.420 2.185 2.453 . 0 0 "[ . 1 . ]" 1
817 1 51 GLN HB3 1 51 GLN HE21 3.000 . 4.000 3.074 1.896 4.030 0.030 3 0 "[ . 1 . ]" 1
818 1 51 GLN HB3 1 51 GLN QG 2.500 . 3.100 2.292 2.192 2.483 . 0 0 "[ . 1 . ]" 1
819 1 51 GLN HB3 1 52 LEU H 2.500 . 3.100 3.082 2.992 3.121 0.021 5 0 "[ . 1 . ]" 1
820 1 51 GLN HE21 1 51 GLN QG 2.500 . 3.100 2.664 2.356 2.948 . 0 0 "[ . 1 . ]" 1
821 1 51 GLN HE22 1 51 GLN QG 2.500 . 3.800 3.452 3.357 3.533 . 0 0 "[ . 1 . ]" 1
822 1 51 GLN QG 1 52 LEU H 3.000 . 4.500 3.740 3.622 4.153 . 0 0 "[ . 1 . ]" 1
823 1 51 GLN QG 1 52 LEU QD 4.000 . 5.900 3.026 2.797 3.774 . 0 0 "[ . 1 . ]" 1
824 1 51 GLN QG 1 54 ASN HD22 4.000 . 5.900 4.010 2.217 5.254 . 0 0 "[ . 1 . ]" 1
825 1 51 GLN QG 1 55 TYR QE 4.000 . 5.900 2.484 2.369 2.606 . 0 0 "[ . 1 . ]" 1
826 1 52 LEU H 1 52 LEU HB2 2.500 . 3.100 2.516 2.443 2.587 . 0 0 "[ . 1 . ]" 1
827 1 52 LEU H 1 52 LEU HB3 2.500 . 3.600 3.621 3.595 3.642 0.042 17 0 "[ . 1 . ]" 1
828 1 52 LEU H 1 52 LEU QD 3.000 . 4.000 3.007 2.948 3.046 . 0 0 "[ . 1 . ]" 1
829 1 52 LEU H 1 52 LEU HG 2.500 . 3.100 2.101 2.028 2.175 . 0 0 "[ . 1 . ]" 1
830 1 52 LEU H 1 53 GLU H 2.500 . 3.100 2.250 2.225 2.275 . 0 0 "[ . 1 . ]" 1
831 1 52 LEU H 1 53 GLU HA 2.500 . 4.800 4.920 4.892 4.953 0.153 12 0 "[ . 1 . ]" 1
832 1 52 LEU H 1 53 GLU HB2 2.500 . 3.800 3.965 3.949 3.992 0.192 17 0 "[ . 1 . ]" 1
833 1 52 LEU HA 1 52 LEU HB2 2.500 . 3.100 3.047 3.034 3.059 . 0 0 "[ . 1 . ]" 1
834 1 52 LEU HA 1 52 LEU HB3 2.500 . 3.100 2.467 2.437 2.501 . 0 0 "[ . 1 . ]" 1
835 1 52 LEU HA 1 52 LEU QD 2.500 . 3.100 2.190 2.167 2.209 . 0 0 "[ . 1 . ]" 1
836 1 52 LEU HA 1 52 LEU HG 2.500 . 3.100 3.175 3.148 3.200 0.100 17 0 "[ . 1 . ]" 1
837 1 52 LEU HA 1 54 ASN H 2.500 . 3.700 3.778 3.732 3.847 0.147 15 0 "[ . 1 . ]" 1
838 1 52 LEU HA 1 55 TYR H 2.500 . 3.500 3.484 3.434 3.539 0.039 4 0 "[ . 1 . ]" 1
839 1 52 LEU HA 1 55 TYR HB3 4.000 . 5.900 4.490 4.418 4.553 . 0 0 "[ . 1 . ]" 1
840 1 52 LEU HA 1 55 TYR HD1 2.500 . 3.100 2.933 2.874 2.997 . 0 0 "[ . 1 . ]" 1
841 1 52 LEU HA 1 55 TYR HD2 2.500 . 4.800 4.863 4.811 4.920 0.120 8 0 "[ . 1 . ]" 1
842 1 52 LEU HA 1 55 TYR QE 3.000 . 4.000 3.936 3.906 3.963 . 0 0 "[ . 1 . ]" 1
843 1 52 LEU HB2 1 52 LEU QD 2.500 . 3.100 2.235 2.209 2.250 . 0 0 "[ . 1 . ]" 1
844 1 52 LEU HB2 1 52 LEU HG 2.500 . 3.100 2.438 2.420 2.451 . 0 0 "[ . 1 . ]" 1
845 1 52 LEU HB2 1 53 GLU H 3.000 . 4.000 2.629 2.489 2.831 . 0 0 "[ . 1 . ]" 1
846 1 52 LEU HB3 1 52 LEU QD 2.500 . 3.100 2.025 2.015 2.058 . 0 0 "[ . 1 . ]" 1
847 1 52 LEU HB3 1 52 LEU HG 3.000 . 4.000 3.009 2.999 3.016 . 0 0 "[ . 1 . ]" 1
848 1 52 LEU HB3 1 53 GLU H 3.000 . 4.000 3.831 3.730 3.985 . 0 0 "[ . 1 . ]" 1
849 1 52 LEU QD 1 55 TYR HD1 3.000 . 5.700 4.375 4.317 4.450 . 0 0 "[ . 1 . ]" 1
850 1 53 GLU H 1 53 GLU HA 2.500 . 3.100 2.821 2.796 2.858 . 0 0 "[ . 1 . ]" 1
851 1 53 GLU H 1 53 GLU HB3 2.500 . 3.100 3.408 3.386 3.426 0.326 7 0 "[ . 1 . ]" 1
852 1 53 GLU H 1 53 GLU QG 2.500 . 3.600 2.855 2.787 3.000 . 0 0 "[ . 1 . ]" 1
853 1 53 GLU H 1 54 ASN H 2.500 . 3.100 2.698 2.623 2.769 . 0 0 "[ . 1 . ]" 1
854 1 53 GLU HA 1 53 GLU HB2 2.500 . 3.100 2.961 2.950 2.970 . 0 0 "[ . 1 . ]" 1
855 1 53 GLU HA 1 53 GLU HG2 2.500 . 3.100 2.358 2.326 2.379 . 0 0 "[ . 1 . ]" 1
856 1 53 GLU HA 1 53 GLU HG3 2.500 . 3.100 2.660 2.614 2.727 . 0 0 "[ . 1 . ]" 1
857 1 53 GLU HA 1 55 TYR H 2.500 . 3.500 3.604 3.525 3.685 0.185 3 0 "[ . 1 . ]" 1
858 1 53 GLU HA 1 56 CYS H 3.000 . 4.000 3.471 3.256 4.028 0.028 4 0 "[ . 1 . ]" 1
859 1 53 GLU HB2 1 53 GLU HG2 2.500 . 3.100 3.037 3.035 3.039 . 0 0 "[ . 1 . ]" 1
860 1 53 GLU HB2 1 53 GLU HG3 2.500 . 3.100 2.458 2.429 2.470 . 0 0 "[ . 1 . ]" 1
861 1 53 GLU QG 1 54 ASN H 3.000 . 5.000 4.539 4.513 4.564 . 0 0 "[ . 1 . ]" 1
862 1 54 ASN H 1 54 ASN HA 2.500 . 3.100 2.956 2.942 2.967 . 0 0 "[ . 1 . ]" 1
863 1 54 ASN H 1 54 ASN QB 2.500 . 3.100 2.577 2.494 2.658 . 0 0 "[ . 1 . ]" 1
864 1 54 ASN H 1 55 TYR H 2.500 . 3.100 2.297 2.223 2.349 . 0 0 "[ . 1 . ]" 1
865 1 54 ASN HA 1 54 ASN QB 2.500 . 3.100 2.277 2.188 2.350 . 0 0 "[ . 1 . ]" 1
866 1 54 ASN HA 1 54 ASN HD22 4.000 . 5.900 4.910 4.664 5.256 . 0 0 "[ . 1 . ]" 1
867 1 54 ASN HA 1 55 TYR H 3.000 . 4.000 3.343 3.322 3.360 . 0 0 "[ . 1 . ]" 1
868 1 54 ASN QB 1 54 ASN HD21 3.000 . 4.000 2.276 2.192 2.363 . 0 0 "[ . 1 . ]" 1
869 1 54 ASN QB 1 54 ASN HD22 2.500 . 3.500 3.272 3.265 3.287 . 0 0 "[ . 1 . ]" 1
870 1 54 ASN QB 1 55 TYR H 2.500 . 3.900 3.414 3.202 3.764 . 0 0 "[ . 1 . ]" 1
871 1 55 TYR H 1 55 TYR HA 2.500 . 3.100 2.947 2.935 2.956 . 0 0 "[ . 1 . ]" 1
872 1 55 TYR H 1 55 TYR HB2 2.500 . 3.100 2.380 2.312 2.413 . 0 0 "[ . 1 . ]" 1
873 1 55 TYR H 1 55 TYR HB3 2.500 . 3.600 3.609 3.575 3.625 0.025 17 0 "[ . 1 . ]" 1
874 1 55 TYR H 1 55 TYR HD1 2.500 . 3.100 2.007 1.962 2.049 . 0 0 "[ . 1 . ]" 1
875 1 55 TYR H 1 55 TYR QE 3.000 . 4.400 4.340 4.295 4.381 . 0 0 "[ . 1 . ]" 1
876 1 55 TYR H 1 56 CYS H 2.500 . 3.100 2.326 2.244 2.491 . 0 0 "[ . 1 . ]" 1
877 1 55 TYR HA 1 55 TYR HB2 3.000 . 4.000 3.028 3.017 3.036 . 0 0 "[ . 1 . ]" 1
878 1 55 TYR HA 1 55 TYR HB3 2.500 . 3.100 2.542 2.522 2.566 . 0 0 "[ . 1 . ]" 1
879 1 55 TYR HA 1 55 TYR HD1 2.500 . 3.100 3.048 3.015 3.108 0.008 15 0 "[ . 1 . ]" 1
880 1 55 TYR HA 1 55 TYR HD2 2.500 . 3.700 3.715 3.664 3.747 0.047 6 0 "[ . 1 . ]" 1
881 1 55 TYR HA 1 55 TYR QE 3.000 . 4.500 4.398 4.366 4.427 . 0 0 "[ . 1 . ]" 1
882 1 55 TYR HA 1 56 CYS H 3.000 . 4.000 3.505 3.362 3.556 . 0 0 "[ . 1 . ]" 1
883 1 55 TYR HB2 1 55 TYR HD1 2.500 . 3.100 2.804 2.761 2.837 . 0 0 "[ . 1 . ]" 1
884 1 55 TYR HB2 1 55 TYR HD2 2.500 . 3.100 3.334 3.317 3.355 0.255 15 0 "[ . 1 . ]" 1
885 1 55 TYR HB2 1 56 CYS HB2 4.000 . 5.900 5.399 4.565 6.145 0.245 4 0 "[ . 1 . ]" 1
886 1 55 TYR HB3 1 55 TYR HD1 2.500 . 3.600 3.721 3.709 3.732 0.132 4 0 "[ . 1 . ]" 1
887 1 55 TYR HB3 1 55 TYR HD2 2.500 . 3.100 2.272 2.258 2.279 . 0 0 "[ . 1 . ]" 1
888 1 55 TYR HB3 1 55 TYR QE 3.000 . 4.500 4.347 4.342 4.354 . 0 0 "[ . 1 . ]" 1
889 1 56 CYS H 1 56 CYS HA 3.000 . 4.000 2.834 2.784 2.953 . 0 0 "[ . 1 . ]" 1
890 1 56 CYS H 1 56 CYS HB2 3.000 . 4.000 2.793 2.421 3.041 . 0 0 "[ . 1 . ]" 1
891 1 56 CYS H 1 56 CYS HB3 2.500 . 3.500 3.311 2.635 3.580 0.080 3 0 "[ . 1 . ]" 1
892 1 56 CYS HA 1 56 CYS HB2 2.500 . 3.100 2.880 2.513 3.016 . 0 0 "[ . 1 . ]" 1
893 1 56 CYS HA 1 56 CYS HB3 3.000 . 4.000 2.511 2.275 3.015 . 0 0 "[ . 1 . ]" 1
894 1 56 CYS HA 1 57 ASN H 2.500 . 3.100 2.186 2.123 2.246 . 0 0 "[ . 1 . ]" 1
895 1 56 CYS HB2 1 57 ASN H 2.500 . 4.200 4.261 4.044 4.427 0.227 1 0 "[ . 1 . ]" 1
896 1 56 CYS HB3 1 57 ASN H 3.000 . 4.000 3.919 3.757 4.230 0.230 19 0 "[ . 1 . ]" 1
897 1 57 ASN H 1 57 ASN HA 2.500 . 3.100 2.415 2.343 2.788 . 0 0 "[ . 1 . ]" 1
898 1 57 ASN H 1 57 ASN HB3 2.500 . 4.000 3.641 3.373 4.019 0.019 17 0 "[ . 1 . ]" 1
899 1 57 ASN HA 1 57 ASN HB2 2.500 . 3.100 2.624 2.335 3.034 . 0 0 "[ . 1 . ]" 1
900 1 57 ASN HA 1 57 ASN HB3 2.500 . 3.100 2.908 2.377 3.036 . 0 0 "[ . 1 . ]" 1
901 1 57 ASN HB3 1 57 ASN HD21 2.500 . 3.100 2.509 2.246 3.080 . 0 0 "[ . 1 . ]" 1
902 1 57 ASN HB3 1 57 ASN HD22 3.000 . 4.000 3.616 3.510 3.862 . 0 0 "[ . 1 . ]" 1
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