NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
454830 |
3hsf   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_3hsf
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 644
_Distance_constraint_stats_list.Viol_count 790
_Distance_constraint_stats_list.Viol_total 1081.768
_Distance_constraint_stats_list.Viol_max 0.893
_Distance_constraint_stats_list.Viol_rms 0.0168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0456
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 2 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 3 PRO 1.347 0.082 11 0 "[ . 1 . 2 . 3]"
1 4 ALA 0.111 0.049 8 0 "[ . 1 . 2 . 3]"
1 5 PHE 0.467 0.091 30 0 "[ . 1 . 2 . 3]"
1 6 VAL 0.005 0.005 14 0 "[ . 1 . 2 . 3]"
1 7 ASN 1.447 0.082 11 0 "[ . 1 . 2 . 3]"
1 8 LYS 0.211 0.049 8 0 "[ . 1 . 2 . 3]"
1 9 LEU 1.007 0.115 8 0 "[ . 1 . 2 . 3]"
1 10 TRP 0.161 0.040 11 0 "[ . 1 . 2 . 3]"
1 11 SER 0.060 0.038 12 0 "[ . 1 . 2 . 3]"
1 12 MET 1.070 0.096 24 0 "[ . 1 . 2 . 3]"
1 13 VAL 1.074 0.145 9 0 "[ . 1 . 2 . 3]"
1 14 ASN 0.481 0.145 9 0 "[ . 1 . 2 . 3]"
1 15 ASP 0.213 0.061 2 0 "[ . 1 . 2 . 3]"
1 16 LYS 1.331 0.149 24 0 "[ . 1 . 2 . 3]"
1 17 SER 0.017 0.017 14 0 "[ . 1 . 2 . 3]"
1 18 ASN 2.256 0.161 1 0 "[ . 1 . 2 . 3]"
1 19 GLU 1.331 0.149 24 0 "[ . 1 . 2 . 3]"
1 20 LYS 0.278 0.161 1 0 "[ . 1 . 2 . 3]"
1 21 PHE 1.238 0.113 25 0 "[ . 1 . 2 . 3]"
1 22 ILE 0.148 0.053 1 0 "[ . 1 . 2 . 3]"
1 23 HIS 0.581 0.072 30 0 "[ . 1 . 2 . 3]"
1 24 TRP 0.116 0.037 4 0 "[ . 1 . 2 . 3]"
1 25 SER 0.216 0.039 10 0 "[ . 1 . 2 . 3]"
1 26 THR 0.286 0.079 11 0 "[ . 1 . 2 . 3]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 29 GLU 0.374 0.149 3 0 "[ . 1 . 2 . 3]"
1 30 SER 0.596 0.149 3 0 "[ . 1 . 2 . 3]"
1 31 ILE 3.874 0.893 8 3 "[ * +-1 . 2 . 3]"
1 32 VAL 0.581 0.072 30 0 "[ . 1 . 2 . 3]"
1 33 VAL 3.154 0.832 24 2 "[ . 1 .- 2 +. 3]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 ASN 0.114 0.027 14 0 "[ . 1 . 2 . 3]"
1 36 ARG 0.161 0.058 26 0 "[ . 1 . 2 . 3]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 ARG 0.404 0.076 13 0 "[ . 1 . 2 . 3]"
1 39 PHE 0.459 0.097 4 0 "[ . 1 . 2 . 3]"
1 40 VAL 2.383 0.178 24 0 "[ . 1 . 2 . 3]"
1 41 GLN 1.171 0.182 28 0 "[ . 1 . 2 . 3]"
1 42 GLU 0.394 0.054 11 0 "[ . 1 . 2 . 3]"
1 43 VAL 0.107 0.052 23 0 "[ . 1 . 2 . 3]"
1 44 LEU 2.545 0.178 24 0 "[ . 1 . 2 . 3]"
1 45 PRO 0.108 0.034 14 0 "[ . 1 . 2 . 3]"
1 46 LYS 0.831 0.166 16 0 "[ . 1 . 2 . 3]"
1 47 TYR 0.373 0.116 24 0 "[ . 1 . 2 . 3]"
1 48 PHE 0.278 0.070 24 0 "[ . 1 . 2 . 3]"
1 49 LYS 1.283 0.235 11 0 "[ . 1 . 2 . 3]"
1 50 HIS 0.448 0.158 25 0 "[ . 1 . 2 . 3]"
1 51 SER 0.145 0.057 1 0 "[ . 1 . 2 . 3]"
1 52 ASN 1.129 0.112 18 0 "[ . 1 . 2 . 3]"
1 53 PHE 1.171 0.089 18 0 "[ . 1 . 2 . 3]"
1 54 ALA 2.012 0.089 18 0 "[ . 1 . 2 . 3]"
1 55 SER 0.594 0.046 10 0 "[ . 1 . 2 . 3]"
1 56 PHE 2.607 0.136 29 0 "[ . 1 . 2 . 3]"
1 57 VAL 1.360 0.136 29 0 "[ . 1 . 2 . 3]"
1 58 ARG 1.217 0.077 9 0 "[ . 1 . 2 . 3]"
1 59 GLN 0.303 0.049 15 0 "[ . 1 . 2 . 3]"
1 60 LEU 2.136 0.085 19 0 "[ . 1 . 2 . 3]"
1 61 ASN 1.016 0.269 13 0 "[ . 1 . 2 . 3]"
1 62 MET 0.814 0.080 19 0 "[ . 1 . 2 . 3]"
1 63 TYR 0.338 0.076 20 0 "[ . 1 . 2 . 3]"
1 64 GLY 0.546 0.087 19 0 "[ . 1 . 2 . 3]"
1 65 TRP 1.535 0.180 4 0 "[ . 1 . 2 . 3]"
1 66 HIS 0.852 0.280 20 0 "[ . 1 . 2 . 3]"
1 67 LYS 0.428 0.280 20 0 "[ . 1 . 2 . 3]"
1 68 VAL 0.223 0.069 8 0 "[ . 1 . 2 . 3]"
1 69 GLN 0.176 0.061 26 0 "[ . 1 . 2 . 3]"
1 70 ASP 0.059 0.029 26 0 "[ . 1 . 2 . 3]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 SER 0.105 0.068 29 0 "[ . 1 . 2 . 3]"
1 74 GLY 0.189 0.068 29 0 "[ . 1 . 2 . 3]"
1 75 SER 0.459 0.165 29 0 "[ . 1 . 2 . 3]"
1 76 MET 0.672 0.165 29 0 "[ . 1 . 2 . 3]"
1 77 LEU 0.459 0.130 16 0 "[ . 1 . 2 . 3]"
1 78 SER 0.100 0.082 8 0 "[ . 1 . 2 . 3]"
1 79 ASN 0.100 0.082 8 0 "[ . 1 . 2 . 3]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 82 SER 0.435 0.223 18 0 "[ . 1 . 2 . 3]"
1 83 ARG 0.274 0.223 18 0 "[ . 1 . 2 . 3]"
1 84 TRP 1.864 0.247 21 0 "[ . 1 . 2 . 3]"
1 85 GLU 0.481 0.076 25 0 "[ . 1 . 2 . 3]"
1 86 PHE 6.229 0.893 8 5 "[ * +*1 .- 2 *. 3]"
1 87 GLU 0.432 0.071 19 0 "[ . 1 . 2 . 3]"
1 88 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 89 GLU 0.873 0.180 4 0 "[ . 1 . 2 . 3]"
1 90 ARG 0.286 0.088 6 0 "[ . 1 . 2 . 3]"
1 91 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 2 ARG H 6.500 . 6.500 2.841 2.050 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 ARG HA 1 3 PRO QD 4.300 . 4.500 2.444 1.943 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 3 PRO HA 1 3 PRO HB3 2.400 . 2.700 2.302 2.292 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 3 PRO HA 1 4 ALA H 2.400 . 2.900 2.295 2.190 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 3 PRO HA 1 5 PHE H 5.000 . 5.000 3.876 3.384 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 3 PRO QB 1 5 PHE H 6.000 . 6.000 2.623 2.181 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 3 PRO HB2 1 6 VAL H 3.300 . 3.700 2.775 2.235 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 3 PRO HB3 1 63 TYR HE1 5.000 . 5.000 2.875 1.969 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 3 PRO QD 1 6 VAL HB 4.300 . 4.500 2.858 1.970 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 PRO QD 1 6 VAL MG2 5.800 . 6.000 3.042 1.921 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 3 PRO QG 1 6 VAL MG2 5.800 . 6.000 1.931 1.821 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 PRO QG 1 63 TYR HD1 6.000 . 6.000 3.603 2.331 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 PRO QG 1 63 TYR HE1 4.300 . 4.500 3.205 2.012 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 3 PRO O 1 7 ASN H 2.100 . 2.300 2.342 2.282 2.382 0.082 11 0 "[ . 1 . 2 . 3]" 1
15 1 3 PRO O 1 7 ASN N 3.100 2.800 3.300 3.243 3.146 3.337 0.037 22 0 "[ . 1 . 2 . 3]" 1
16 1 4 ALA H 1 5 PHE H 3.300 . 3.700 2.659 2.514 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 4 ALA HA 1 5 PHE H 3.300 . 3.700 3.494 3.431 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 4 ALA HA 1 7 ASN H 5.000 . 5.000 3.433 3.228 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 4 ALA HA 1 7 ASN HB2 3.300 . 3.500 2.465 2.161 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 4 ALA HA 1 7 ASN QB 4.300 . 4.500 2.443 2.145 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 4 ALA HA 1 7 ASN HB3 5.000 . 5.000 3.985 3.628 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 4 ALA MB 1 5 PHE H 3.900 . 4.300 2.902 2.559 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 4 ALA O 1 8 LYS H 2.100 . 2.300 2.251 2.213 2.349 0.049 8 0 "[ . 1 . 2 . 3]" 1
24 1 4 ALA O 1 8 LYS N 3.100 2.800 3.300 3.120 2.971 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 5 PHE H 1 5 PHE HB2 3.300 . 3.700 2.549 2.409 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 5 PHE H 1 5 PHE HB3 3.300 . 3.700 2.613 2.509 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 5 PHE H 1 5 PHE QD 5.300 . 5.700 4.203 4.116 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 5 PHE H 1 6 VAL H 3.300 . 3.700 2.692 2.466 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 5 PHE HA 1 5 PHE HD1 2.400 . 2.700 2.600 2.296 2.749 0.049 10 0 "[ . 1 . 2 . 3]" 1
30 1 5 PHE HA 1 6 VAL H 5.000 . 5.000 3.584 3.545 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 5 PHE HA 1 8 LYS QB 4.300 . 4.500 3.411 2.241 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 5 PHE HA 1 48 PHE QE 5.000 . 5.000 4.747 4.393 5.007 0.007 5 0 "[ . 1 . 2 . 3]" 1
33 1 5 PHE HB2 1 6 VAL H 5.000 . 5.000 3.763 3.569 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 5 PHE HB3 1 6 VAL H 3.300 . 3.700 2.431 2.082 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 5 PHE HD2 1 6 VAL H 5.000 . 5.000 3.524 2.981 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 5 PHE HD2 1 63 TYR HD2 3.300 . 3.500 2.737 2.097 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 5 PHE HE2 1 9 LEU MD2 6.500 . 6.500 3.728 2.961 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 5 PHE HE2 1 60 LEU HA 3.300 . 3.500 3.144 2.235 3.524 0.024 10 0 "[ . 1 . 2 . 3]" 1
39 1 5 PHE HE2 1 60 LEU MD2 4.800 . 5.000 2.288 1.941 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 5 PHE HE2 1 60 LEU HG 3.300 . 3.500 2.808 2.037 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 5 PHE O 1 9 LEU H 2.100 . 2.300 2.258 2.196 2.391 0.091 30 0 "[ . 1 . 2 . 3]" 1
42 1 5 PHE O 1 9 LEU N 3.100 2.800 3.300 3.028 2.885 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 6 VAL H 1 6 VAL HB 2.400 . 2.800 2.601 2.484 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 6 VAL H 1 6 VAL MG2 3.900 . 4.300 2.041 1.907 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 6 VAL H 1 7 ASN H 3.300 . 3.700 2.618 2.475 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 6 VAL HA 1 7 ASN H 5.000 . 5.000 3.525 3.489 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 6 VAL HA 1 9 LEU H 3.300 . 3.700 3.230 2.911 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 6 VAL HA 1 9 LEU HB2 3.300 . 3.500 2.764 2.078 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 6 VAL HA 1 9 LEU HB3 3.300 . 3.500 2.736 2.174 3.505 0.005 14 0 "[ . 1 . 2 . 3]" 1
50 1 6 VAL HA 1 9 LEU MD2 4.800 . 5.000 3.247 2.671 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 6 VAL HB 1 7 ASN H 3.300 . 3.700 2.829 2.507 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 6 VAL QG 1 7 ASN H 7.900 . 7.900 3.371 3.222 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 6 VAL MG1 1 10 TRP HE1 4.800 . 5.200 3.162 1.897 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 6 VAL MG1 1 10 TRP HE3 6.500 . 6.500 4.383 2.802 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 6 VAL MG1 1 65 TRP HE1 4.800 . 5.200 3.875 2.665 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 6 VAL MG2 1 63 TYR HD2 4.800 . 5.000 3.739 3.090 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 7 ASN H 1 7 ASN QB 3.300 . 3.700 2.325 2.244 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 7 ASN H 1 8 LYS H 3.300 . 3.700 2.620 2.493 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 7 ASN HA 1 8 LYS H 5.000 . 5.000 3.544 3.495 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 7 ASN HA 1 9 LEU H 5.000 . 5.000 4.086 3.930 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 7 ASN HA 1 10 TRP H 5.000 . 5.000 3.692 3.385 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 7 ASN HA 1 10 TRP QB 4.300 . 4.500 3.511 2.687 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 7 ASN HB2 1 8 LYS H 3.300 . 3.700 2.690 2.290 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 7 ASN HB3 1 8 LYS H 3.300 . 3.700 3.521 3.209 3.734 0.034 22 0 "[ . 1 . 2 . 3]" 1
65 1 8 LYS H 1 9 LEU H 3.300 . 3.700 2.500 2.303 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 8 LYS HA 1 9 LEU H 5.000 . 5.000 3.481 3.406 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 8 LYS QB 1 9 LEU H 6.000 . 6.000 3.342 2.788 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 8 LYS QB 1 48 PHE QE 6.000 . 6.000 4.274 2.850 5.049 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 8 LYS QD 1 59 GLN QG 7.000 . 7.000 5.248 5.000 5.489 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 9 LEU H 1 9 LEU HB2 3.300 . 3.700 2.478 2.319 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 9 LEU H 1 9 LEU HB3 3.300 . 3.700 2.613 2.457 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 9 LEU H 1 9 LEU HG 5.000 . 5.000 4.462 4.402 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 9 LEU H 1 10 TRP H 3.300 . 3.700 2.625 2.383 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 9 LEU HA 1 9 LEU HB2 2.400 . 2.700 2.528 2.470 2.609 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 9 LEU HA 1 9 LEU MD1 3.900 . 4.200 2.080 1.930 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 9 LEU HA 1 9 LEU HG 3.300 . 3.500 2.804 2.590 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 9 LEU HA 1 10 TRP H 5.000 . 5.000 3.538 3.475 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 9 LEU HA 1 12 MET HB2 6.000 . 6.200 4.415 2.332 5.653 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 9 LEU HB2 1 10 TRP H 5.000 . 5.000 3.845 3.367 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 9 LEU HB3 1 10 TRP H 3.300 . 3.700 2.656 1.990 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 9 LEU MD1 1 12 MET ME 4.900 . 5.200 3.135 2.488 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 9 LEU MD1 1 31 ILE MD 4.900 . 5.200 3.035 2.368 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 9 LEU MD1 1 56 PHE QE 6.800 . 7.000 2.673 2.017 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 9 LEU MD1 1 56 PHE HZ 4.800 . 5.000 2.321 1.829 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 9 LEU MD1 1 60 LEU MD2 5.800 . 6.000 2.562 1.906 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 9 LEU MD2 1 10 TRP H 6.500 . 6.500 4.290 3.458 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 9 LEU MD2 1 10 TRP HZ3 6.500 . 6.500 3.520 1.897 5.390 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 9 LEU MD2 1 31 ILE MD 5.800 . 6.000 2.694 1.789 3.622 0.011 9 0 "[ . 1 . 2 . 3]" 1
89 1 9 LEU MD2 1 60 LEU MD2 4.900 . 5.200 2.546 1.823 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 9 LEU MD2 1 65 TRP HE1 4.800 . 5.200 3.160 2.089 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 9 LEU HG 1 10 TRP H 5.000 . 5.000 3.983 3.313 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 9 LEU O 1 13 VAL H 2.100 . 2.300 2.284 2.145 2.415 0.115 8 0 "[ . 1 . 2 . 3]" 1
93 1 9 LEU O 1 13 VAL N 3.100 2.800 3.300 3.205 3.086 3.339 0.039 18 0 "[ . 1 . 2 . 3]" 1
94 1 10 TRP H 1 10 TRP HD1 5.000 . 5.000 4.106 3.317 5.040 0.040 11 0 "[ . 1 . 2 . 3]" 1
95 1 10 TRP H 1 10 TRP HE3 5.000 . 5.000 3.531 2.745 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 10 TRP H 1 11 SER H 3.300 . 3.700 2.851 2.537 3.738 0.038 12 0 "[ . 1 . 2 . 3]" 1
97 1 10 TRP HA 1 10 TRP HD1 5.000 . 5.000 4.081 2.100 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 10 TRP HA 1 13 VAL H 5.000 . 5.000 3.957 3.198 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 10 TRP HA 1 13 VAL HB 4.300 . 4.500 3.584 2.484 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 10 TRP HA 1 13 VAL MG1 6.500 . 6.500 4.789 1.855 5.409 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 10 TRP HA 1 13 VAL MG2 4.800 . 5.000 3.762 2.538 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 10 TRP HA 1 24 TRP HZ2 5.000 . 5.000 4.082 2.360 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 10 TRP QB 1 11 SER H 4.300 . 4.700 3.311 2.897 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 11 SER H 1 12 MET QG 6.000 . 6.000 4.123 3.243 5.486 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 11 SER HA 1 12 MET H 3.300 . 3.700 3.533 3.464 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 11 SER HA 1 14 ASN H 5.000 . 5.000 3.863 3.495 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 11 SER QB 1 12 MET H 4.300 . 4.700 2.873 2.244 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 12 MET H 1 12 MET HB3 3.300 . 3.700 2.967 2.359 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 12 MET H 1 12 MET HG2 5.000 . 5.000 3.215 1.922 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 12 MET H 1 12 MET HG3 5.000 . 5.000 2.994 1.897 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 12 MET H 1 13 VAL H 5.000 . 5.000 2.435 2.217 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 12 MET HA 1 13 VAL H 5.000 . 5.000 3.535 3.494 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 12 MET HA 1 14 ASN H 5.000 . 5.000 4.087 3.645 5.048 0.048 21 0 "[ . 1 . 2 . 3]" 1
114 1 12 MET HA 1 15 ASP H 5.000 . 5.000 4.624 3.527 5.061 0.061 2 0 "[ . 1 . 2 . 3]" 1
115 1 12 MET HA 1 18 ASN HD21 3.300 . 3.500 3.262 2.258 3.579 0.079 28 0 "[ . 1 . 2 . 3]" 1
116 1 12 MET HA 1 18 ASN HD22 3.300 . 3.500 2.971 1.989 3.596 0.096 24 0 "[ . 1 . 2 . 3]" 1
117 1 12 MET HA 1 47 TYR QE 4.800 . 5.000 3.616 3.000 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 12 MET QB 1 13 VAL H 3.400 . 3.900 3.118 2.297 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 12 MET QB 1 47 TYR QD 8.000 . 8.000 3.822 2.943 5.136 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 12 MET QB 1 47 TYR QE 6.000 . 6.000 3.442 1.825 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 12 MET ME 1 13 VAL MG1 7.500 . 7.500 5.047 4.662 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 12 MET ME 1 43 VAL QG 5.800 . 6.000 2.934 2.049 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 12 MET ME 1 44 LEU HA 4.800 . 5.000 4.018 3.180 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 12 MET ME 1 44 LEU QD 5.800 . 6.000 3.412 2.486 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 12 MET QG 1 13 VAL H 6.000 . 6.000 3.072 1.935 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 12 MET QG 1 47 TYR QE 6.000 . 6.000 3.679 2.424 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 13 VAL H 1 13 VAL HB 3.300 . 3.700 2.707 2.502 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 13 VAL H 1 14 ASN H 3.300 . 3.700 2.601 2.433 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 13 VAL HA 1 13 VAL MG1 3.500 . 3.800 2.265 2.032 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 13 VAL HA 1 13 VAL MG2 3.500 . 3.800 2.504 2.309 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 13 VAL HA 1 14 ASN H 5.000 . 5.000 3.424 3.223 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 13 VAL HA 1 22 ILE MG 4.800 . 5.200 2.323 1.847 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 13 VAL HB 1 14 ASN H 3.300 . 3.700 3.230 2.081 3.845 0.145 9 0 "[ . 1 . 2 . 3]" 1
134 1 13 VAL HB 1 24 TRP HE1 5.000 . 5.000 2.882 2.222 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 13 VAL MG1 1 14 ASN H 6.500 . 6.500 3.919 1.884 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 13 VAL MG1 1 22 ILE MD 7.500 . 7.500 2.393 1.920 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 13 VAL MG1 1 22 ILE HG12 4.200 . 4.400 2.372 1.890 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 13 VAL MG1 1 22 ILE MG 5.800 . 6.000 3.152 2.462 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 13 VAL MG1 1 23 HIS HA 4.800 . 5.000 3.673 1.976 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 13 VAL MG1 1 24 TRP H 4.800 . 5.200 4.063 2.933 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 13 VAL MG1 1 24 TRP HE1 6.500 . 6.500 2.184 1.913 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 13 VAL MG1 1 31 ILE MD 5.800 . 6.000 2.845 1.821 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 13 VAL MG1 1 31 ILE MG 7.500 . 7.500 2.451 1.933 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 13 VAL MG1 1 32 VAL H 6.500 . 6.500 4.760 4.010 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 13 VAL MG2 1 14 ASN H 6.500 . 6.500 3.873 3.422 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 13 VAL MG2 1 22 ILE MD 5.800 . 6.000 2.323 1.798 3.303 0.002 20 0 "[ . 1 . 2 . 3]" 1
147 1 13 VAL MG2 1 22 ILE MG 5.800 . 6.000 3.624 3.194 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 13 VAL MG2 1 24 TRP HE1 4.800 . 5.200 4.160 2.980 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 14 ASN H 1 15 ASP H 3.300 . 3.700 2.974 2.633 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 14 ASN HA 1 24 TRP HE1 3.300 . 3.700 3.406 2.621 3.737 0.037 4 0 "[ . 1 . 2 . 3]" 1
151 1 14 ASN QB 1 15 ASP H 4.300 . 4.700 3.117 1.835 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 15 ASP HA 1 16 LYS H 3.300 . 3.700 2.856 2.190 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 15 ASP QB 1 22 ILE MG 5.800 . 6.000 4.167 3.573 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 16 LYS H 1 17 SER H 3.300 . 3.700 2.623 2.242 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 16 LYS HA 1 17 SER H 3.300 . 3.700 3.549 3.432 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 16 LYS HA 1 19 GLU H 5.000 . 5.000 4.435 3.431 5.048 0.048 12 0 "[ . 1 . 2 . 3]" 1
157 1 16 LYS HA 1 19 GLU HB2 5.000 . 5.000 3.775 2.072 5.149 0.149 24 0 "[ . 1 . 2 . 3]" 1
158 1 16 LYS HA 1 19 GLU HB3 5.000 . 5.000 4.480 3.355 5.121 0.121 23 0 "[ . 1 . 2 . 3]" 1
159 1 16 LYS QB 1 17 SER H 4.300 . 4.700 2.517 1.950 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 17 SER H 1 17 SER HB2 3.300 . 3.700 2.868 2.087 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 17 SER H 1 17 SER HB3 3.300 . 3.700 3.045 2.428 3.717 0.017 14 0 "[ . 1 . 2 . 3]" 1
162 1 17 SER HA 1 19 GLU H 5.000 . 5.000 3.914 3.219 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 18 ASN HA 1 19 GLU H 3.300 . 3.700 2.875 2.431 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 18 ASN HA 1 20 LYS H 5.000 . 5.000 3.864 3.111 5.161 0.161 1 0 "[ . 1 . 2 . 3]" 1
165 1 18 ASN HA 1 21 PHE H 5.000 . 5.000 4.064 2.927 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 18 ASN HA 1 21 PHE HD2 3.300 . 3.500 2.588 1.964 3.575 0.075 22 0 "[ . 1 . 2 . 3]" 1
167 1 18 ASN HA 1 43 VAL QG 4.800 . 5.000 3.663 2.965 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 18 ASN QB 1 22 ILE MG 5.800 . 6.000 2.511 1.817 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 18 ASN QB 1 39 PHE QD 4.300 . 4.500 3.716 3.223 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 18 ASN HB2 1 43 VAL QG 6.200 . 6.200 3.178 2.258 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 18 ASN HB3 1 43 VAL QG 6.200 . 6.200 2.526 2.080 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 18 ASN QD 1 47 TYR QE 3.300 . 3.500 2.580 2.071 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 18 ASN HD21 1 43 VAL QG 6.500 . 6.500 2.856 1.869 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 18 ASN HD22 1 43 VAL QG 6.500 . 6.500 2.992 1.995 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 18 ASN O 1 21 PHE H 2.100 . 2.300 2.323 2.224 2.413 0.113 25 0 "[ . 1 . 2 . 3]" 1
176 1 18 ASN O 1 21 PHE N 3.100 2.800 3.300 3.173 2.960 3.334 0.034 24 0 "[ . 1 . 2 . 3]" 1
177 1 19 GLU H 1 19 GLU HB2 3.300 . 3.700 2.704 2.097 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 19 GLU H 1 19 GLU HB3 3.300 . 3.700 2.744 2.249 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 19 GLU H 1 19 GLU QG 4.300 . 4.700 3.374 1.968 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 19 GLU H 1 20 LYS H 5.000 . 5.000 3.173 2.565 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 19 GLU HA 1 20 LYS H 3.300 . 3.700 3.108 2.163 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 19 GLU QB 1 20 LYS H 4.300 . 4.700 3.285 2.422 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 19 GLU QG 1 20 LYS H 6.000 . 6.000 3.863 2.110 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 20 LYS H 1 21 PHE H 3.300 . 3.700 2.499 1.942 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 20 LYS HA 1 21 PHE H 5.000 . 5.000 3.223 2.844 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 20 LYS QB 1 21 PHE H 6.000 . 6.000 3.466 2.674 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 21 PHE H 1 21 PHE HB2 3.300 . 3.700 2.648 2.361 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 21 PHE HA 1 21 PHE HD1 2.400 . 2.700 2.383 2.008 2.726 0.026 22 0 "[ . 1 . 2 . 3]" 1
189 1 21 PHE HA 1 22 ILE H 5.000 . 5.000 3.429 2.312 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 21 PHE HA 1 34 PRO QD 6.000 . 6.000 3.961 2.735 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 21 PHE HB2 1 22 ILE H 3.300 . 3.700 2.659 1.893 3.709 0.009 4 0 "[ . 1 . 2 . 3]" 1
192 1 21 PHE HB2 1 43 VAL QG 4.800 . 5.000 2.917 2.465 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 21 PHE HB3 1 22 ILE H 5.000 . 5.000 3.334 1.988 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 21 PHE QD 1 22 ILE H 7.000 . 7.000 4.207 3.728 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 21 PHE QD 1 39 PHE HA 5.300 . 5.500 3.419 2.245 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 21 PHE HD2 1 43 VAL QG 6.500 . 6.500 2.992 2.030 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 22 ILE HA 1 22 ILE HG13 3.300 . 3.500 2.377 2.242 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 22 ILE HA 1 23 HIS H 2.400 . 2.900 2.311 2.185 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 22 ILE HA 1 31 ILE MG 4.800 . 5.000 4.133 3.696 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 22 ILE HA 1 33 VAL HA 3.300 . 3.500 3.322 2.950 3.553 0.053 1 0 "[ . 1 . 2 . 3]" 1
201 1 22 ILE HA 1 33 VAL QG 6.500 . 6.500 3.519 2.781 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 22 ILE HA 1 34 PRO QD 4.300 . 4.500 3.027 2.388 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 22 ILE HB 1 23 HIS H 5.000 . 5.000 4.071 3.871 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 22 ILE HB 1 33 VAL QG 6.500 . 6.500 3.602 3.078 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 22 ILE MD 1 23 HIS H 6.500 . 6.500 3.972 3.632 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 22 ILE MD 1 31 ILE MD 5.800 . 6.000 3.122 2.784 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 22 ILE MD 1 33 VAL QG 4.900 . 5.200 3.031 2.126 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 22 ILE MD 1 39 PHE QD 8.500 . 8.500 3.932 3.102 4.789 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 22 ILE HG13 1 31 ILE MG 4.800 . 5.000 2.388 2.246 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 22 ILE HG13 1 33 VAL QG 4.800 . 5.000 3.102 2.464 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 22 ILE MG 1 39 PHE QD 4.800 . 5.000 3.199 2.169 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 23 HIS H 1 32 VAL H 3.300 . 3.700 3.324 2.749 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 23 HIS HA 1 24 TRP H 2.400 . 2.900 2.384 2.229 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 23 HIS QB 1 24 TRP H 4.300 . 4.700 2.866 2.079 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 23 HIS O 1 32 VAL H 2.100 . 2.300 2.302 2.214 2.372 0.072 30 0 "[ . 1 . 2 . 3]" 1
216 1 23 HIS O 1 32 VAL N 3.100 2.800 3.300 3.216 3.045 3.352 0.052 30 0 "[ . 1 . 2 . 3]" 1
217 1 24 TRP H 1 24 TRP HB2 3.300 . 3.700 2.419 2.272 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 24 TRP H 1 24 TRP HB3 3.300 . 3.700 3.611 3.568 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 24 TRP H 1 24 TRP HD1 3.300 . 3.700 2.373 1.976 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 24 TRP HA 1 24 TRP HB3 2.400 . 2.700 2.528 2.376 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 24 TRP HA 1 25 SER H 2.400 . 2.900 2.406 2.229 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 24 TRP HA 1 31 ILE HA 3.300 . 3.500 2.748 2.217 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 24 TRP HA 1 32 VAL H 5.000 . 5.000 3.677 3.025 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 24 TRP HB2 1 25 SER H 5.000 . 5.000 3.772 3.390 4.130 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 24 TRP HB3 1 25 SER H 3.300 . 3.700 2.599 2.184 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 25 SER H 1 26 THR H 5.000 . 5.000 3.755 2.241 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 25 SER H 1 30 SER O 2.100 . 2.300 2.277 2.213 2.339 0.039 10 0 "[ . 1 . 2 . 3]" 1
228 1 25 SER H 1 31 ILE HA 5.000 . 5.000 3.622 2.498 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 25 SER H 1 32 VAL MG2 6.500 . 6.500 3.498 2.705 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 25 SER HA 1 26 THR H 3.300 . 3.700 2.950 2.197 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 25 SER HA 1 32 VAL MG2 4.800 . 5.000 2.518 1.851 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 25 SER QB 1 26 THR H 6.000 . 6.000 2.788 1.953 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 25 SER HB2 1 32 VAL MG2 4.800 . 5.000 2.954 1.979 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 25 SER HB3 1 32 VAL MG2 4.800 . 5.000 3.362 1.860 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 25 SER N 1 30 SER O 3.100 2.800 3.300 3.055 2.777 3.294 0.023 14 0 "[ . 1 . 2 . 3]" 1
236 1 26 THR H 1 26 THR HB 3.300 . 3.700 3.029 2.574 3.779 0.079 11 0 "[ . 1 . 2 . 3]" 1
237 1 26 THR HA 1 27 SER H 3.300 . 3.700 2.928 2.191 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 26 THR HG1 1 27 SER H 6.500 . 6.500 3.076 1.953 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 28 GLY QA 1 29 GLU H 5.000 . 5.000 2.379 2.149 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 29 GLU H 1 30 SER H 3.300 . 3.700 3.012 1.973 3.849 0.149 3 0 "[ . 1 . 2 . 3]" 1
241 1 29 GLU QB 1 30 SER H 6.000 . 6.000 3.313 1.937 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 30 SER HA 1 31 ILE H 2.400 . 2.900 2.373 2.213 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 30 SER HA 1 65 TRP HZ3 3.300 . 3.500 2.792 2.006 3.506 0.006 23 0 "[ . 1 . 2 . 3]" 1
244 1 30 SER HA 1 87 GLU HA 3.300 . 3.500 3.115 2.492 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 30 SER QB 1 87 GLU HA 4.300 . 4.500 2.966 2.128 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 30 SER QB 1 87 GLU QG 7.000 . 7.000 3.086 1.920 4.800 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 30 SER HB2 1 31 ILE H 5.000 . 5.000 3.406 2.020 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 30 SER HB3 1 31 ILE H 5.000 . 5.000 3.324 2.359 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 31 ILE H 1 31 ILE HB 3.300 . 3.700 2.644 2.514 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 31 ILE H 1 86 PHE H 3.300 . 3.700 3.065 2.248 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 31 ILE H 1 86 PHE O 2.100 . 2.300 2.297 2.238 2.365 0.065 16 0 "[ . 1 . 2 . 3]" 1
252 1 31 ILE H 1 87 GLU HA 5.000 . 5.000 4.144 3.759 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 31 ILE HA 1 32 VAL H 2.400 . 2.900 2.287 2.188 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 31 ILE HB 1 86 PHE HD1 5.000 . 5.000 4.190 1.991 5.893 0.893 8 3 "[ * +-1 . 2 . 3]" 1
255 1 31 ILE MD 1 60 LEU MD1 7.500 . 7.500 3.701 3.006 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 31 ILE MD 1 60 LEU MD2 5.800 . 6.000 3.319 2.847 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 31 ILE MD 1 65 TRP HE1 6.500 . 6.500 5.120 4.563 5.380 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 31 ILE MD 1 86 PHE QD 6.800 . 7.000 3.194 1.903 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 31 ILE MG 1 32 VAL H 4.800 . 5.200 2.360 1.897 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 31 ILE MG 1 86 PHE QD 6.800 . 7.000 3.420 2.423 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 31 ILE N 1 86 PHE O 3.100 2.800 3.300 3.182 2.975 3.306 0.006 10 0 "[ . 1 . 2 . 3]" 1
262 1 32 VAL H 1 32 VAL HA 5.600 2.400 5.600 2.986 2.936 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 32 VAL H 1 32 VAL HB 3.300 . 3.700 2.694 2.523 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 32 VAL HA 1 32 VAL MG1 3.500 . 3.800 2.292 2.179 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 32 VAL HA 1 32 VAL MG2 3.500 . 3.800 2.404 2.313 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 32 VAL HA 1 33 VAL H 2.400 . 2.900 2.219 2.178 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 32 VAL HA 1 85 GLU HA 3.300 . 3.500 2.736 2.158 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 32 VAL MG1 1 33 VAL H 6.500 . 6.500 2.491 1.970 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 32 VAL MG1 1 34 PRO HA 4.800 . 5.000 3.768 3.502 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 32 VAL MG1 1 34 PRO QD 7.500 . 7.500 2.925 2.440 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 32 VAL MG1 1 34 PRO QG 5.800 . 6.000 3.903 3.430 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 32 VAL MG1 1 83 ARG HD3 5.800 . 6.000 4.464 3.088 5.096 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 32 VAL MG2 1 85 GLU HA 4.800 . 5.000 3.731 3.144 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 33 VAL H 1 84 TRP O 2.100 . 2.300 2.282 2.210 2.371 0.071 1 0 "[ . 1 . 2 . 3]" 1
275 1 33 VAL H 1 85 GLU HA 3.300 . 3.700 3.569 2.886 3.776 0.076 25 0 "[ . 1 . 2 . 3]" 1
276 1 33 VAL HA 1 34 PRO HD2 3.300 . 3.500 2.253 2.206 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 33 VAL HA 1 34 PRO HD3 3.300 . 3.500 2.459 2.306 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 33 VAL HA 1 34 PRO QG 4.300 . 4.500 4.012 3.982 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 33 VAL HB 1 84 TRP H 3.300 . 3.700 2.659 1.986 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 33 VAL HB 1 84 TRP QB 6.000 . 6.000 2.680 1.932 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 33 VAL QG 1 35 ASN H 4.800 . 5.200 2.787 2.297 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 33 VAL QG 1 36 ARG H 6.500 . 6.500 2.599 2.300 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 33 VAL QG 1 36 ARG HA 4.800 . 5.000 2.130 1.887 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 33 VAL QG 1 37 GLU H 4.800 . 5.200 4.293 4.195 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 33 VAL QG 1 39 PHE H 6.500 . 6.500 4.401 3.810 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 33 VAL QG 1 39 PHE QB 5.800 . 6.000 2.937 2.481 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 33 VAL QG 1 39 PHE QD 6.500 . 6.500 3.652 3.181 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 33 VAL QG 1 84 TRP HD1 6.500 . 6.500 3.567 3.052 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 33 VAL QG 1 84 TRP HE1 6.500 . 6.500 4.479 2.120 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 33 VAL QG 1 86 PHE QD 8.500 . 8.500 3.377 2.647 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 33 VAL QG 1 86 PHE HE1 4.800 . 5.000 3.551 1.952 5.832 0.832 24 2 "[ . 1 .- 2 +. 3]" 1
292 1 33 VAL N 1 84 TRP O 3.100 2.800 3.300 3.179 2.983 3.320 0.020 1 0 "[ . 1 . 2 . 3]" 1
293 1 34 PRO HA 1 34 PRO HB3 2.400 . 2.700 2.304 2.300 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 34 PRO HA 1 83 ARG HA 5.000 . 5.000 3.430 2.434 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 34 PRO HB2 1 35 ASN H 3.300 . 3.700 3.341 2.991 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 34 PRO QD 1 35 ASN H 6.000 . 6.000 2.254 2.153 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 34 PRO QG 1 35 ASN H 6.000 . 6.000 2.659 2.275 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 35 ASN HA 1 36 ARG H 2.400 . 2.900 2.356 2.230 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 35 ASN QB 1 36 ARG H 6.000 . 6.000 3.852 3.749 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 35 ASN O 1 39 PHE H 2.100 . 2.300 2.260 2.157 2.327 0.027 14 0 "[ . 1 . 2 . 3]" 1
301 1 35 ASN O 1 39 PHE N 3.100 2.800 3.300 3.139 3.019 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 36 ARG H 1 36 ARG HB2 3.300 . 3.700 2.805 2.088 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 36 ARG H 1 36 ARG HB3 3.300 . 3.700 2.676 2.392 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 36 ARG H 1 37 GLU H 5.000 . 5.000 2.535 2.299 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 36 ARG H 1 82 SER HA 5.000 . 5.000 4.320 2.650 5.058 0.058 26 0 "[ . 1 . 2 . 3]" 1
306 1 36 ARG H 1 82 SER QB 6.000 . 6.000 3.628 2.017 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 36 ARG HA 1 39 PHE H 5.000 . 5.000 3.525 3.015 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 36 ARG QB 1 37 GLU H 3.400 . 3.900 3.069 2.430 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 36 ARG QB 1 82 SER HA 6.000 . 6.000 3.951 2.704 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 36 ARG QB 1 84 TRP HE1 3.400 . 3.900 3.256 2.313 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 36 ARG QD 1 84 TRP HE1 4.300 . 4.700 3.079 1.847 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 37 GLU H 1 38 ARG H 3.300 . 3.700 2.723 2.370 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 37 GLU H 1 39 PHE H 5.000 . 5.000 3.957 3.615 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 37 GLU H 1 82 SER QB 6.000 . 6.000 4.371 2.584 5.457 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 37 GLU HA 1 38 ARG H 3.300 . 3.700 3.527 2.754 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 37 GLU HA 1 40 VAL HB 5.000 . 5.000 3.947 3.232 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 37 GLU HA 1 40 VAL MG2 4.800 . 5.000 3.923 3.625 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 37 GLU QB 1 38 ARG H 4.300 . 4.700 2.821 1.955 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 37 GLU QB 1 38 ARG HA 6.000 . 6.000 4.244 3.961 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 37 GLU QG 1 38 ARG H 6.000 . 6.000 3.062 1.996 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 37 GLU QG 1 38 ARG HA 4.300 . 4.500 3.715 3.415 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 38 ARG H 1 38 ARG QD 6.000 . 6.000 3.764 1.987 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 38 ARG H 1 39 PHE H 3.300 . 3.700 2.443 2.038 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 38 ARG HA 1 41 GLN QB 4.300 . 4.500 2.793 2.239 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 38 ARG HA 1 42 GLU H 5.000 . 5.000 4.255 3.562 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 38 ARG HB3 1 39 PHE H 3.300 . 3.700 3.214 2.441 3.776 0.076 13 0 "[ . 1 . 2 . 3]" 1
327 1 38 ARG O 1 42 GLU H 2.100 . 2.300 2.292 2.227 2.354 0.054 11 0 "[ . 1 . 2 . 3]" 1
328 1 38 ARG O 1 42 GLU N 3.100 2.800 3.300 3.062 2.786 3.282 0.014 29 0 "[ . 1 . 2 . 3]" 1
329 1 39 PHE H 1 39 PHE QD 5.300 . 5.700 4.140 4.057 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 39 PHE H 1 40 VAL H 3.300 . 3.700 2.958 2.709 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 39 PHE HA 1 39 PHE QD 3.300 . 3.500 2.959 2.764 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 39 PHE HA 1 40 VAL H 3.300 . 3.700 3.580 3.552 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 39 PHE HA 1 43 VAL QG 5.000 . 5.000 2.320 2.036 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 39 PHE QB 1 40 VAL H 4.300 . 4.700 2.323 1.990 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 39 PHE QB 1 40 VAL MG1 7.500 . 7.500 5.264 5.104 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 39 PHE QD 1 40 VAL H 5.000 . 5.000 2.402 2.107 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 39 PHE QD 1 40 VAL MG1 8.500 . 8.500 4.137 3.999 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 39 PHE QD 1 40 VAL MG2 4.800 . 5.000 2.016 1.896 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 39 PHE QD 1 41 GLN H 5.000 . 5.000 4.949 4.817 5.097 0.097 4 0 "[ . 1 . 2 . 3]" 1
340 1 39 PHE QD 1 43 VAL HB 3.300 . 3.500 3.319 3.212 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 39 PHE QD 1 44 LEU QD . . 6.500 4.125 3.692 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 40 VAL H 1 40 VAL HB 3.300 . 3.700 2.623 2.406 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 40 VAL H 1 41 GLN H 3.300 . 3.700 2.891 2.672 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 40 VAL HA 1 40 VAL MG1 3.500 . 3.800 2.344 2.247 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 40 VAL HA 1 40 VAL MG2 3.500 . 3.800 2.371 2.300 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 40 VAL HA 1 43 VAL HB 5.000 . 5.000 3.698 3.271 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 40 VAL HA 1 44 LEU H 3.300 . 3.700 2.550 2.125 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 40 VAL HA 1 44 LEU HB2 3.300 . 3.500 2.048 1.903 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 40 VAL HA 1 44 LEU HB3 3.300 . 3.500 3.163 2.350 3.512 0.012 3 0 "[ . 1 . 2 . 3]" 1
350 1 40 VAL HA 1 44 LEU QD 4.800 . 5.000 3.199 2.746 3.490 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 40 VAL HB 1 41 GLN H 4.300 . 4.700 2.401 2.101 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 40 VAL MG1 1 41 GLN H 6.500 . 6.500 3.379 3.002 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 40 VAL MG1 1 41 GLN HA 4.800 . 5.000 3.555 3.191 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 40 VAL MG1 1 44 LEU QD . . 6.000 1.956 1.755 2.389 0.045 16 0 "[ . 1 . 2 . 3]" 1
355 1 40 VAL MG2 1 41 GLN H 6.500 . 6.500 3.724 3.604 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 40 VAL MG2 1 53 PHE H 4.800 . 5.200 4.121 3.775 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 40 VAL MG2 1 53 PHE HA 6.500 . 6.500 3.579 2.863 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 40 VAL MG2 1 56 PHE QB 7.500 . 7.500 4.693 4.055 5.345 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 40 VAL O 1 44 LEU H 2.100 . 2.300 2.376 2.290 2.478 0.178 24 0 "[ . 1 . 2 . 3]" 1
360 1 40 VAL O 1 44 LEU N 3.100 2.800 3.300 3.208 3.039 3.310 0.010 24 0 "[ . 1 . 2 . 3]" 1
361 1 41 GLN H 1 41 GLN QG 4.300 . 4.700 3.216 1.939 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 41 GLN HA 1 41 GLN HG2 3.300 . 3.500 2.753 2.050 3.640 0.140 28 0 "[ . 1 . 2 . 3]" 1
363 1 41 GLN HA 1 41 GLN HG3 3.300 . 3.500 2.861 1.961 3.682 0.182 28 0 "[ . 1 . 2 . 3]" 1
364 1 41 GLN HA 1 42 GLU H 3.300 . 3.700 3.520 3.318 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 41 GLN QB 1 42 GLU H 4.300 . 4.700 2.881 2.132 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 42 GLU H 1 42 GLU HB2 3.300 . 3.700 2.629 2.339 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 42 GLU H 1 42 GLU QG 4.300 . 4.700 2.957 2.445 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 42 GLU H 1 43 VAL H 2.400 . 2.900 2.500 2.053 2.952 0.052 23 0 "[ . 1 . 2 . 3]" 1
369 1 42 GLU HA 1 42 GLU QG 3.400 . 3.700 2.419 2.188 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 42 GLU HB2 1 43 VAL H 5.000 . 5.000 3.894 2.286 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 42 GLU HB3 1 43 VAL QG 4.800 . 5.000 3.468 3.029 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 42 GLU QG 1 43 VAL H 6.000 . 6.000 4.456 3.839 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 43 VAL H 1 44 LEU H 2.400 . 2.900 2.016 1.871 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 43 VAL H 1 45 PRO QD 6.000 . 6.000 2.295 1.978 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 43 VAL HA 1 44 LEU H 3.300 . 3.700 3.559 3.394 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 43 VAL HA 1 45 PRO QD 6.000 . 6.000 3.663 3.355 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 43 VAL HA 1 46 LYS H 3.300 . 3.700 3.484 3.220 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 43 VAL HA 1 46 LYS QB 3.300 . 3.500 2.353 2.046 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 43 VAL HB 1 44 LEU H 3.300 . 3.700 2.825 2.656 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 43 VAL QG 1 44 LEU H 7.900 . 7.900 3.378 3.296 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 43 VAL QG 1 47 TYR QD 3.900 . 4.200 3.108 2.649 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 44 LEU H 1 44 LEU HB2 2.400 . 2.900 2.454 2.293 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 44 LEU H 1 44 LEU HB3 3.900 . 4.300 2.725 2.540 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 44 LEU H 1 44 LEU QD 4.800 . 5.200 3.616 3.481 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 44 LEU H 1 44 LEU HG 5.000 . 5.000 4.523 4.455 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 44 LEU H 1 45 PRO QD 3.400 . 3.900 2.151 1.891 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 44 LEU HA 1 47 TYR QD 4.400 . 4.700 4.258 3.799 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 44 LEU HA 1 48 PHE QD 5.000 . 5.000 3.611 2.730 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 44 LEU HB2 1 45 PRO QD 6.000 . 6.000 3.177 3.023 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 44 LEU HB3 1 45 PRO HD2 3.300 . 3.500 3.197 3.041 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 44 LEU HB3 1 45 PRO HD3 3.300 . 3.500 1.946 1.899 2.069 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 44 LEU QD 1 48 PHE HB2 6.500 . 6.500 3.605 3.171 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 44 LEU QD 1 48 PHE HB3 6.500 . 6.500 4.598 4.016 5.060 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 44 LEU QD 1 48 PHE QD 3.900 . 4.200 2.722 1.994 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 44 LEU QD 1 51 SER QB . . 6.000 2.869 1.925 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 44 LEU QD 1 52 ASN HA . . 5.000 2.284 1.811 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 44 LEU QD 1 52 ASN QB 7.500 . 7.500 3.752 3.348 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 44 LEU QD 1 53 PHE H 6.500 . 6.500 2.795 2.225 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 44 LEU QD 1 53 PHE HA 6.800 . 7.000 2.613 2.006 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 44 LEU QD 1 53 PHE HB3 6.500 . 6.500 3.554 2.626 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 44 LEU QD 1 55 SER QB 8.900 . 8.900 4.040 2.902 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 44 LEU QD 1 56 PHE QB 7.500 . 7.500 2.514 1.893 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 44 LEU QD 1 56 PHE HD2 6.500 . 6.500 3.477 1.887 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 44 LEU O 1 48 PHE H 2.100 . 2.300 2.255 2.207 2.370 0.070 24 0 "[ . 1 . 2 . 3]" 1
405 1 44 LEU O 1 48 PHE N 3.100 2.800 3.300 3.153 3.013 3.306 0.006 24 0 "[ . 1 . 2 . 3]" 1
406 1 45 PRO HA 1 46 LYS H 5.000 . 5.000 3.461 3.374 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 45 PRO HA 1 48 PHE H 3.300 . 3.700 3.534 3.038 3.734 0.034 14 0 "[ . 1 . 2 . 3]" 1
408 1 45 PRO HA 1 49 LYS HA 5.000 . 5.000 3.684 1.975 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 45 PRO QD 1 46 LYS H 3.400 . 3.900 2.475 2.304 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 46 LYS H 1 46 LYS QD 4.300 . 4.700 3.785 2.575 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 46 LYS H 1 46 LYS QG 4.300 . 4.700 3.609 2.278 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 46 LYS H 1 47 TYR H 2.400 . 2.900 2.633 2.380 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 46 LYS H 1 47 TYR QD 3.300 . 3.700 3.626 3.246 3.816 0.116 24 0 "[ . 1 . 2 . 3]" 1
414 1 46 LYS HA 1 46 LYS HG2 3.300 . 3.500 2.959 2.213 3.535 0.035 13 0 "[ . 1 . 2 . 3]" 1
415 1 46 LYS HA 1 46 LYS HG3 3.300 . 3.500 2.525 1.984 3.666 0.166 16 0 "[ . 1 . 2 . 3]" 1
416 1 46 LYS HA 1 47 TYR H 5.000 . 5.000 3.439 3.050 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 46 LYS QB 1 47 TYR H 5.000 . 5.000 3.098 2.731 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 46 LYS QB 1 47 TYR QD 3.300 . 3.500 2.348 2.032 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 46 LYS QB 1 47 TYR QE 6.000 . 6.000 2.768 2.244 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 47 TYR H 1 47 TYR QB 3.300 . 3.700 2.484 2.235 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 47 TYR H 1 47 TYR QD 3.300 . 3.700 2.577 2.026 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 47 TYR H 1 48 PHE H 2.400 . 2.900 2.194 1.970 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 47 TYR HA 1 47 TYR QD 4.300 . 4.500 2.986 2.409 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 47 TYR HA 1 48 PHE H 5.000 . 5.000 3.559 3.449 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 47 TYR QB 1 48 PHE H 3.300 . 3.700 2.492 1.956 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 47 TYR QB 1 48 PHE QD 5.000 . 5.000 2.896 1.985 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 47 TYR QD 1 48 PHE H 5.000 . 5.000 4.096 3.776 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 48 PHE H 1 48 PHE HB2 3.300 . 3.700 2.519 2.304 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 48 PHE H 1 48 PHE QD 5.000 . 5.000 2.604 1.983 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 48 PHE HA 1 48 PHE QD 3.300 . 3.500 2.705 1.984 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 48 PHE HA 1 49 LYS H 3.300 . 3.700 2.781 2.197 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 48 PHE HA 1 51 SER QB 6.000 . 6.000 4.600 3.966 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 48 PHE HB2 1 51 SER QB 4.300 . 4.500 2.633 1.891 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 48 PHE HB3 1 49 LYS H 5.000 . 5.000 2.546 1.973 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 48 PHE HB3 1 51 SER QB 4.300 . 4.500 2.458 1.951 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 49 LYS H 1 49 LYS QG 4.300 . 4.700 3.100 1.965 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 49 LYS H 1 50 HIS H 5.000 . 5.000 3.062 2.006 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 49 LYS HA 1 49 LYS HB3 2.400 . 2.700 2.568 2.272 2.935 0.235 11 0 "[ . 1 . 2 . 3]" 1
439 1 49 LYS HA 1 50 HIS H 3.300 . 3.700 3.214 2.177 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 49 LYS HA 1 51 SER H 5.000 . 5.000 4.496 3.347 5.057 0.057 1 0 "[ . 1 . 2 . 3]" 1
441 1 49 LYS HB2 1 50 HIS H 5.000 . 5.000 3.059 1.981 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 49 LYS HB3 1 50 HIS H 3.300 . 3.700 3.199 2.176 3.858 0.158 25 0 "[ . 1 . 2 . 3]" 1
443 1 49 LYS QG 1 50 HIS H 6.000 . 6.000 3.619 1.875 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 50 HIS H 1 50 HIS HB2 3.300 . 3.700 2.788 2.321 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 50 HIS H 1 51 SER H 3.300 . 3.700 3.065 2.087 3.723 0.023 29 0 "[ . 1 . 2 . 3]" 1
446 1 50 HIS HA 1 50 HIS HB3 2.400 . 2.600 2.541 2.415 2.604 0.004 21 0 "[ . 1 . 2 . 3]" 1
447 1 51 SER H 1 51 SER QB 3.000 . 3.500 2.549 2.198 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 51 SER HA 1 52 ASN H 3.300 . 3.700 2.512 2.180 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 51 SER QB 1 52 ASN H 4.300 . 4.700 2.947 2.018 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 52 ASN HA 1 53 PHE H 2.400 . 2.900 2.439 2.153 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 52 ASN HA 1 55 SER H 5.000 . 5.000 4.700 4.520 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 52 ASN QB 1 53 PHE H 4.300 . 4.700 2.643 1.961 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 52 ASN O 1 55 SER H 2.100 . 2.300 2.305 2.238 2.345 0.045 29 0 "[ . 1 . 2 . 3]" 1
454 1 52 ASN O 1 55 SER N 3.100 2.800 3.300 2.937 2.840 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 52 ASN O 1 56 PHE H 2.100 . 2.300 2.297 2.226 2.412 0.112 18 0 "[ . 1 . 2 . 3]" 1
456 1 52 ASN O 1 56 PHE N 3.100 2.800 3.300 3.201 3.061 3.366 0.066 18 0 "[ . 1 . 2 . 3]" 1
457 1 53 PHE H 1 53 PHE QD 5.300 . 5.700 2.570 1.974 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 53 PHE H 1 54 ALA H 3.300 . 3.700 2.791 2.705 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 53 PHE HA 1 54 ALA H 3.300 . 3.700 3.524 3.493 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 53 PHE HB2 1 54 ALA H 3.300 . 3.700 3.697 2.609 3.789 0.089 18 0 "[ . 1 . 2 . 3]" 1
461 1 53 PHE HB3 1 54 ALA H 5.000 . 5.000 3.848 2.441 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 53 PHE QD 1 54 ALA H 7.000 . 7.000 3.023 2.433 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 53 PHE O 1 57 VAL H 2.100 . 2.300 2.232 2.174 2.350 0.050 15 0 "[ . 1 . 2 . 3]" 1
464 1 53 PHE O 1 57 VAL N 3.100 2.800 3.300 3.155 2.990 3.310 0.010 15 0 "[ . 1 . 2 . 3]" 1
465 1 54 ALA H 1 55 SER H 3.300 . 3.700 2.713 2.558 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 54 ALA HA 1 57 VAL H 3.300 . 3.700 3.593 3.368 3.713 0.013 26 0 "[ . 1 . 2 . 3]" 1
467 1 54 ALA HA 1 57 VAL HB 3.300 . 3.500 3.261 2.734 3.526 0.026 23 0 "[ . 1 . 2 . 3]" 1
468 1 54 ALA HA 1 57 VAL MG1 6.500 . 6.500 4.548 4.069 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 54 ALA HA 1 57 VAL MG2 4.800 . 5.000 2.972 2.043 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 54 ALA MB 1 55 SER H 4.800 . 5.200 2.519 2.263 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 54 ALA O 1 58 ARG H 2.100 . 2.300 2.317 2.228 2.377 0.077 9 0 "[ . 1 . 2 . 3]" 1
472 1 54 ALA O 1 58 ARG N 3.100 2.800 3.300 3.173 2.923 3.303 0.003 9 0 "[ . 1 . 2 . 3]" 1
473 1 55 SER H 1 56 PHE H 3.300 . 3.700 2.615 2.512 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 55 SER HA 1 58 ARG H 3.300 . 3.700 3.390 3.199 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 55 SER HA 1 58 ARG QB 4.300 . 4.500 2.611 2.308 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 55 SER QB 1 56 PHE H 4.300 . 4.700 2.783 2.413 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 55 SER O 1 59 GLN H 2.100 . 2.300 2.277 2.230 2.346 0.046 10 0 "[ . 1 . 2 . 3]" 1
478 1 55 SER O 1 59 GLN N 3.100 2.800 3.300 3.195 3.034 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 56 PHE H 1 56 PHE QD 5.300 . 5.700 4.148 4.045 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 56 PHE H 1 57 VAL H 3.300 . 3.700 2.691 2.510 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 56 PHE HA 1 56 PHE HD1 3.300 . 3.500 2.510 1.979 3.561 0.061 14 0 "[ . 1 . 2 . 3]" 1
482 1 56 PHE HA 1 57 VAL H 5.000 . 5.000 3.550 3.492 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 56 PHE HA 1 59 GLN H 5.000 . 5.000 3.628 3.424 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 56 PHE HA 1 59 GLN HB3 5.000 . 5.000 4.792 4.282 5.049 0.049 15 0 "[ . 1 . 2 . 3]" 1
485 1 56 PHE HA 1 60 LEU H 5.000 . 5.000 4.386 4.098 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 56 PHE QB 1 57 VAL H 4.300 . 4.700 2.482 2.226 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 56 PHE HD1 1 57 VAL H 5.000 . 5.000 4.669 3.471 5.136 0.136 29 0 "[ . 1 . 2 . 3]" 1
488 1 56 PHE HE1 1 60 LEU MD1 4.800 . 5.000 3.032 1.958 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 56 PHE HE1 1 60 LEU MD2 6.500 . 6.500 3.134 2.043 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 56 PHE HZ 1 60 LEU MD1 6.500 . 6.500 3.285 2.498 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 56 PHE HZ 1 60 LEU MD2 4.800 . 5.000 3.511 2.809 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 56 PHE O 1 60 LEU H 2.100 . 2.300 2.301 2.212 2.370 0.070 18 0 "[ . 1 . 2 . 3]" 1
493 1 56 PHE O 1 60 LEU N 3.100 2.800 3.300 3.258 3.156 3.335 0.035 18 0 "[ . 1 . 2 . 3]" 1
494 1 57 VAL H 1 57 VAL HB 2.400 . 2.900 2.596 2.473 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 57 VAL H 1 57 VAL MG2 3.900 . 4.300 2.051 1.940 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 57 VAL H 1 58 ARG H 3.300 . 3.700 2.615 2.457 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 57 VAL HA 1 57 VAL MG1 3.500 . 3.800 2.294 2.145 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 57 VAL HA 1 57 VAL MG2 3.500 . 3.800 2.428 2.312 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 57 VAL HA 1 58 ARG H 5.000 . 5.000 3.526 3.484 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 57 VAL HA 1 60 LEU H 3.300 . 3.700 3.558 3.332 3.726 0.026 29 0 "[ . 1 . 2 . 3]" 1
501 1 57 VAL HA 1 60 LEU MD1 3.900 . 4.200 2.469 1.957 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 57 VAL MG1 1 58 ARG H 4.800 . 5.200 3.733 3.389 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 57 VAL MG1 1 60 LEU MD1 7.500 . 7.500 3.666 3.274 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 57 VAL MG1 1 61 ASN HD21 6.500 . 6.500 3.942 2.566 5.329 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 57 VAL MG1 1 61 ASN HD22 6.500 . 6.500 4.189 2.542 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 57 VAL MG1 1 84 TRP HZ3 4.800 . 5.000 3.644 2.407 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 57 VAL MG1 1 86 PHE QE 6.800 . 7.000 3.756 2.838 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 57 VAL MG2 1 58 ARG H 6.500 . 6.500 3.829 3.610 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 57 VAL MG2 1 60 LEU MD1 5.800 . 6.000 3.460 2.918 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 57 VAL MG2 1 84 TRP HZ3 6.500 . 6.500 3.380 2.029 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 57 VAL MG2 1 86 PHE QD 8.500 . 8.500 5.381 4.397 6.214 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 57 VAL MG2 1 86 PHE QE 6.800 . 7.000 3.700 2.588 5.020 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 57 VAL O 1 61 ASN H 2.100 . 2.300 2.247 2.189 2.329 0.029 30 0 "[ . 1 . 2 . 3]" 1
514 1 57 VAL O 1 61 ASN N 3.100 2.800 3.300 3.127 3.018 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 58 ARG H 1 59 GLN H 3.300 . 3.700 2.681 2.509 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 58 ARG HA 1 59 GLN H 5.000 . 5.000 3.561 3.490 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 58 ARG HA 1 61 ASN H 3.300 . 3.700 3.584 3.429 3.718 0.018 21 0 "[ . 1 . 2 . 3]" 1
518 1 58 ARG HA 1 61 ASN QB 3.400 . 3.700 2.855 2.542 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 58 ARG HA 1 62 MET H 5.000 . 5.000 4.416 3.979 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 58 ARG QB 1 59 GLN H 4.300 . 4.700 2.615 2.172 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 58 ARG O 1 62 MET H 2.100 . 2.300 2.295 2.224 2.375 0.075 13 0 "[ . 1 . 2 . 3]" 1
522 1 58 ARG O 1 62 MET N 3.100 2.800 3.300 3.085 2.929 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 59 GLN H 1 59 GLN QG 4.300 . 4.700 2.626 1.973 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 59 GLN H 1 60 LEU H 3.300 . 3.700 2.719 2.549 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 59 GLN HA 1 62 MET H 3.300 . 3.700 3.432 3.229 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 59 GLN HA 1 62 MET HB2 5.000 . 5.000 3.082 2.324 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 59 GLN HA 1 62 MET HB3 5.000 . 5.000 3.730 2.738 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 59 GLN HA 1 63 TYR QD 5.300 . 5.500 4.005 3.438 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 59 GLN HB2 1 60 LEU H 3.300 . 3.700 2.561 2.294 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 59 GLN HB3 1 60 LEU H 3.300 . 3.700 3.422 3.138 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 59 GLN HB3 1 63 TYR QE 5.300 . 5.500 2.633 2.301 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 59 GLN QG 1 60 LEU H 6.000 . 6.000 4.184 3.824 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 60 LEU H 1 60 LEU HB2 2.400 . 2.900 2.467 2.332 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 60 LEU H 1 60 LEU HB3 3.300 . 3.700 3.607 3.577 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 60 LEU H 1 61 ASN H 3.300 . 3.700 2.730 2.611 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 60 LEU HA 1 60 LEU MD2 3.900 . 4.200 2.055 1.953 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 60 LEU HA 1 61 ASN H 5.000 . 5.000 3.541 3.502 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 60 LEU HA 1 63 TYR H 5.000 . 5.000 3.764 3.376 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 60 LEU HA 1 63 TYR HD2 3.300 . 3.500 3.022 2.520 3.501 0.001 3 0 "[ . 1 . 2 . 3]" 1
540 1 60 LEU HB2 1 61 ASN H 3.300 . 3.700 2.705 2.436 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 60 LEU HB2 1 65 TRP HB2 3.300 . 3.500 3.492 3.092 3.585 0.085 19 0 "[ . 1 . 2 . 3]" 1
542 1 60 LEU HB2 1 65 TRP HB3 5.000 . 5.000 4.244 3.783 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 60 LEU HB3 1 61 ASN H 3.300 . 3.700 3.669 3.395 3.781 0.081 19 0 "[ . 1 . 2 . 3]" 1
544 1 60 LEU HB3 1 65 TRP HB2 5.000 . 5.000 2.019 1.915 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 60 LEU MD1 1 86 PHE QD 6.800 . 7.000 2.999 2.131 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 60 LEU MD2 1 65 TRP HB2 6.500 . 6.500 3.021 2.149 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 60 LEU MD2 1 65 TRP HB3 6.500 . 6.500 3.328 2.325 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 60 LEU MD2 1 86 PHE QD 8.500 . 8.500 3.923 3.048 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 61 ASN H 1 62 MET H 3.300 . 3.700 2.561 2.451 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 61 ASN HA 1 61 ASN HD21 3.300 . 3.500 2.943 2.021 3.769 0.269 13 0 "[ . 1 . 2 . 3]" 1
551 1 61 ASN HA 1 61 ASN HD22 5.000 . 5.000 3.702 3.267 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 61 ASN HA 1 62 MET H 5.000 . 5.000 3.502 3.451 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 61 ASN HA 1 64 GLY H 5.000 . 5.000 3.714 3.291 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 61 ASN QB 1 62 MET H 4.300 . 4.700 2.931 2.445 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 62 MET H 1 62 MET QG 4.300 . 4.700 3.385 1.970 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 62 MET H 1 63 TYR H 2.400 . 2.900 2.594 2.355 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 62 MET HA 1 64 GLY H 5.000 . 5.000 4.786 3.921 5.080 0.080 19 0 "[ . 1 . 2 . 3]" 1
558 1 63 TYR H 1 63 TYR HB2 3.300 . 3.700 2.451 2.299 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 63 TYR H 1 63 TYR HD2 3.300 . 3.700 3.385 2.446 3.776 0.076 20 0 "[ . 1 . 2 . 3]" 1
560 1 63 TYR H 1 64 GLY H 3.300 . 3.700 2.254 1.969 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 63 TYR HA 1 63 TYR HD1 3.300 . 3.500 2.240 2.014 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 63 TYR HA 1 64 GLY H 5.000 . 5.000 3.535 3.005 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 64 GLY H 1 65 TRP H 3.300 . 3.700 2.370 1.964 3.787 0.087 19 0 "[ . 1 . 2 . 3]" 1
564 1 64 GLY QA 1 65 TRP H 5.000 . 5.000 2.665 2.154 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 65 TRP H 1 65 TRP HB2 3.300 . 3.700 2.632 2.322 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 65 TRP H 1 65 TRP HD1 5.000 . 5.000 2.952 2.034 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 65 TRP HA 1 66 HIS H 2.400 . 2.900 2.268 2.186 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 65 TRP HA 1 88 ASN HA 3.300 . 3.500 3.030 1.910 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 65 TRP HA 1 89 GLU H 5.000 . 5.000 4.691 3.352 5.180 0.180 4 0 "[ . 1 . 2 . 3]" 1
570 1 65 TRP HB3 1 66 HIS H 5.000 . 5.000 3.317 2.193 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 66 HIS H 1 66 HIS HB2 3.300 . 3.700 2.626 2.285 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 66 HIS H 1 87 GLU H 5.000 . 5.000 3.776 2.678 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 66 HIS H 1 87 GLU O 2.100 . 2.300 2.301 2.212 2.371 0.071 19 0 "[ . 1 . 2 . 3]" 1
574 1 66 HIS H 1 88 ASN HA 5.000 . 5.000 3.306 2.571 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 66 HIS HA 1 66 HIS HB3 2.400 . 2.700 2.529 2.410 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 66 HIS HA 1 67 LYS H 2.400 . 2.900 2.447 2.136 3.180 0.280 20 0 "[ . 1 . 2 . 3]" 1
577 1 66 HIS QB 1 67 LYS H 4.300 . 4.700 2.830 1.952 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 66 HIS N 1 87 GLU O 3.100 2.800 3.300 3.172 2.946 3.308 0.008 20 0 "[ . 1 . 2 . 3]" 1
579 1 67 LYS H 1 86 PHE QD 7.000 . 7.000 5.349 2.754 6.328 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 67 LYS HA 1 68 VAL H 3.300 . 3.700 2.561 2.188 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 67 LYS HA 1 86 PHE HA 3.300 . 3.500 2.972 2.487 3.508 0.008 4 0 "[ . 1 . 2 . 3]" 1
582 1 67 LYS HA 1 86 PHE QD 5.300 . 5.500 4.103 2.771 5.253 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 67 LYS HA 1 87 GLU H 5.000 . 5.000 3.353 2.158 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 68 VAL H 1 69 GLN H 5.000 . 5.000 4.253 1.984 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 68 VAL H 1 86 PHE HA 5.000 . 5.000 4.578 3.661 5.069 0.069 8 0 "[ . 1 . 2 . 3]" 1
586 1 68 VAL HA 1 69 GLN H 2.400 . 2.900 2.425 2.188 2.961 0.061 26 0 "[ . 1 . 2 . 3]" 1
587 1 68 VAL QG 1 69 GLN H 5.300 . 5.800 2.799 1.748 3.720 0.052 7 0 "[ . 1 . 2 . 3]" 1
588 1 68 VAL QG 1 69 GLN HA 6.200 . 6.400 3.851 3.103 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 68 VAL QG 1 87 GLU H 6.200 . 6.600 4.097 2.904 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 69 GLN H 1 69 GLN QG 4.300 . 4.700 3.368 1.943 4.224 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 69 GLN H 1 70 ASP H 3.300 . 3.700 2.918 1.960 3.729 0.029 26 0 "[ . 1 . 2 . 3]" 1
592 1 69 GLN HA 1 70 ASP H 3.300 . 3.700 3.033 2.221 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 70 ASP H 1 71 VAL H 5.000 . 5.000 3.734 1.995 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 70 ASP HA 1 71 VAL H 3.300 . 3.700 2.676 2.196 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 71 VAL HA 1 72 LYS H 3.300 . 3.700 2.930 2.163 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 71 VAL HB 1 72 LYS H 5.000 . 5.000 3.507 1.962 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 72 LYS HA 1 73 SER H 3.300 . 3.700 2.958 2.193 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 72 LYS QB 1 73 SER H 6.000 . 6.000 2.873 1.909 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 73 SER H 1 74 GLY H 3.300 . 3.700 2.987 2.364 3.768 0.068 29 0 "[ . 1 . 2 . 3]" 1
600 1 73 SER HA 1 74 GLY H 3.300 . 3.700 3.322 2.425 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 74 GLY H 1 75 SER H 3.300 . 3.700 3.080 2.003 3.754 0.054 2 0 "[ . 1 . 2 . 3]" 1
602 1 75 SER H 1 76 MET H 3.300 . 3.700 3.090 1.967 3.865 0.165 29 0 "[ . 1 . 2 . 3]" 1
603 1 75 SER HA 1 76 MET H 3.300 . 3.700 2.977 2.200 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 75 SER QB 1 76 MET H 6.000 . 6.000 3.232 1.895 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 76 MET H 1 77 LEU H 3.300 . 3.700 3.113 1.982 3.830 0.130 16 0 "[ . 1 . 2 . 3]" 1
606 1 76 MET HA 1 77 LEU H 3.300 . 3.700 2.881 2.135 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 77 LEU HA 1 77 LEU HG 3.300 . 3.500 2.479 1.988 3.540 0.040 21 0 "[ . 1 . 2 . 3]" 1
608 1 77 LEU HA 1 78 SER H 3.300 . 3.700 2.820 2.187 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 77 LEU QB 1 78 SER H 4.300 . 4.700 3.008 1.945 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 77 LEU QD 1 78 SER H 6.200 . 6.600 3.546 2.182 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 78 SER H 1 79 ASN H 3.300 . 3.700 2.900 2.028 3.782 0.082 8 0 "[ . 1 . 2 . 3]" 1
612 1 78 SER HA 1 79 ASN H 3.300 . 3.700 3.037 2.186 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 78 SER QB 1 79 ASN H 6.000 . 6.000 3.255 1.911 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 80 ASN HA 1 81 ASP H 3.300 . 3.700 2.768 2.177 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 82 SER H 1 83 ARG H 3.300 . 3.700 2.784 1.902 3.923 0.223 18 0 "[ . 1 . 2 . 3]" 1
616 1 82 SER HA 1 83 ARG H 3.300 . 3.700 2.888 2.127 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 82 SER QB 1 83 ARG H 4.300 . 4.700 3.609 2.038 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 82 SER QB 1 84 TRP HE1 6.000 . 6.000 4.912 2.151 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 83 ARG H 1 83 ARG QG 4.300 . 4.700 3.505 1.940 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 83 ARG HA 1 84 TRP H 3.300 . 3.700 2.299 2.159 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 83 ARG QB 1 84 TRP H 4.300 . 4.700 3.729 2.940 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 84 TRP H 1 84 TRP HD1 3.300 . 3.700 2.283 1.892 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 84 TRP HA 1 84 TRP HD1 3.300 . 3.500 3.505 2.899 3.747 0.247 21 0 "[ . 1 . 2 . 3]" 1
624 1 84 TRP HA 1 85 GLU H 2.400 . 2.900 2.351 2.174 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 84 TRP QB 1 85 GLU H 4.300 . 4.700 2.805 1.965 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 84 TRP HE3 1 86 PHE QE 7.000 . 7.000 3.252 2.071 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 85 GLU HA 1 86 PHE H 2.400 . 2.900 2.314 2.189 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 85 GLU QB 1 86 PHE H 6.000 . 6.000 3.066 2.009 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 86 PHE H 1 86 PHE HB2 3.300 . 3.700 2.635 2.330 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 86 PHE H 1 86 PHE QD 5.300 . 5.700 2.931 2.000 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 86 PHE HA 1 87 GLU H 2.400 . 2.900 2.240 2.177 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 86 PHE HB3 1 87 GLU H 5.000 . 5.000 3.530 2.733 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 86 PHE QD 1 87 GLU H 7.000 . 7.000 4.290 3.650 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 87 GLU HA 1 88 ASN H 2.400 . 2.900 2.387 2.160 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 87 GLU QB 1 88 ASN H 6.000 . 6.000 2.919 2.044 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 87 GLU QG 1 88 ASN H 6.000 . 6.000 3.023 1.926 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 88 ASN HA 1 89 GLU QB 6.000 . 6.000 4.262 3.787 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 89 GLU H 1 89 GLU QG 4.300 . 4.700 3.722 2.292 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 89 GLU H 1 90 ARG H 3.300 . 3.700 3.001 2.064 3.788 0.088 6 0 "[ . 1 . 2 . 3]" 1
640 1 89 GLU HA 1 90 ARG H 3.300 . 3.700 3.085 2.162 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 89 GLU QB 1 90 ARG H 6.000 . 6.000 2.999 1.862 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 90 ARG HA 1 91 HIS H 3.300 . 3.700 2.799 2.181 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 90 ARG QB 1 91 HIS H 3.900 . 4.300 2.616 1.850 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 91 HIS HA 1 92 ALA H 3.300 . 3.700 2.674 2.185 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
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