NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549069 |
2lau   |
17456 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lau
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 739
_Distance_constraint_stats_list.Viol_count 4506
_Distance_constraint_stats_list.Viol_total 6853.310
_Distance_constraint_stats_list.Viol_max 0.441
_Distance_constraint_stats_list.Viol_rms 0.0599
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0257
_Distance_constraint_stats_list.Viol_average_violations_only 0.0800
_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 3 PRO 0.220 0.027 3 0 "[ . 1 . ]"
1 4 GLY 2.167 0.171 8 0 "[ . 1 . ]"
1 5 PHE 11.634 0.374 5 0 "[ . 1 . ]"
1 6 THR 1.498 0.267 7 0 "[ . 1 . ]"
1 7 CYS 2.355 0.179 6 0 "[ . 1 . ]"
1 8 CYS 1.942 0.108 11 0 "[ . 1 . ]"
1 9 VAL 6.901 0.366 19 0 "[ . 1 . ]"
1 10 PRO 0.850 0.131 7 0 "[ . 1 . ]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 13 TYR 4.097 0.282 7 0 "[ . 1 . ]"
1 14 ASN 17.579 0.366 19 0 "[ . 1 . ]"
1 15 ASN 9.822 0.229 2 0 "[ . 1 . ]"
1 16 SER 18.800 0.374 5 0 "[ . 1 . ]"
1 17 HIS 2.928 0.136 8 0 "[ . 1 . ]"
1 18 ARG 3.353 0.241 7 0 "[ . 1 . ]"
1 19 ASP 10.559 0.353 17 0 "[ . 1 . ]"
1 20 LYS 2.935 0.204 18 0 "[ . 1 . ]"
1 21 ALA 3.863 0.236 14 0 "[ . 1 . ]"
1 22 LEU 17.748 0.353 17 0 "[ . 1 . ]"
1 23 HIS 11.415 0.318 7 0 "[ . 1 . ]"
1 24 PHE 23.931 0.365 1 0 "[ . 1 . ]"
1 25 TYR 12.254 0.365 1 0 "[ . 1 . ]"
1 26 THR 6.746 0.216 13 0 "[ . 1 . ]"
1 27 PHE 33.804 0.380 7 0 "[ . 1 . ]"
1 28 PRO 42.942 0.380 7 0 "[ . 1 . ]"
1 29 LYS 4.269 0.187 13 0 "[ . 1 . ]"
1 30 ASP 7.662 0.123 5 0 "[ . 1 . ]"
1 31 ALA 12.262 0.216 2 0 "[ . 1 . ]"
1 32 GLU 16.851 0.441 8 0 "[ . 1 . ]"
1 33 LEU 29.798 0.391 4 0 "[ . 1 . ]"
1 34 ARG 19.867 0.391 4 0 "[ . 1 . ]"
1 35 ARG 7.809 0.315 18 0 "[ . 1 . ]"
1 36 LEU 17.938 0.441 8 0 "[ . 1 . ]"
1 37 TRP 30.904 0.401 19 0 "[ . 1 . ]"
1 38 LEU 25.946 0.367 18 0 "[ . 1 . ]"
1 39 LYS 16.315 0.367 18 0 "[ . 1 . ]"
1 40 ASN 6.666 0.314 9 0 "[ . 1 . ]"
1 41 VAL 10.128 0.331 5 0 "[ . 1 . ]"
1 42 SER 10.514 0.338 5 0 "[ . 1 . ]"
1 43 ARG 4.956 0.338 5 0 "[ . 1 . ]"
1 44 ALA 6.987 0.203 17 0 "[ . 1 . ]"
1 45 GLY 8.482 0.254 19 0 "[ . 1 . ]"
1 46 VAL 4.837 0.254 19 0 "[ . 1 . ]"
1 47 SER 6.980 0.257 6 0 "[ . 1 . ]"
1 48 GLY 4.643 0.257 6 0 "[ . 1 . ]"
1 49 CYS 0.077 0.051 1 0 "[ . 1 . ]"
1 50 PHE 6.145 0.356 12 0 "[ . 1 . ]"
1 51 SER 6.157 0.356 12 0 "[ . 1 . ]"
1 52 THR 1.596 0.156 1 0 "[ . 1 . ]"
1 53 PHE 4.034 0.156 1 0 "[ . 1 . ]"
1 54 GLN 1.801 0.110 8 0 "[ . 1 . ]"
1 55 PRO 3.921 0.114 3 0 "[ . 1 . ]"
1 56 THR 6.561 0.349 12 0 "[ . 1 . ]"
1 57 THR 6.491 0.349 12 0 "[ . 1 . ]"
1 58 GLY 2.779 0.194 14 0 "[ . 1 . ]"
1 59 HIS 8.125 0.374 7 0 "[ . 1 . ]"
1 60 ARG 5.192 0.162 3 0 "[ . 1 . ]"
1 61 LEU 19.439 0.401 19 0 "[ . 1 . ]"
1 62 CYS 10.954 0.278 14 0 "[ . 1 . ]"
1 63 SER 9.952 0.282 7 0 "[ . 1 . ]"
1 64 VAL 6.641 0.350 4 0 "[ . 1 . ]"
1 65 HIS 17.499 0.332 5 0 "[ . 1 . ]"
1 66 PHE 10.700 0.306 16 0 "[ . 1 . ]"
1 67 GLN 7.492 0.181 19 0 "[ . 1 . ]"
1 68 GLY 5.875 0.168 11 0 "[ . 1 . ]"
1 69 GLY 4.017 0.168 11 0 "[ . 1 . ]"
1 70 ARG 2.744 0.183 13 0 "[ . 1 . ]"
1 71 LYS 5.238 0.183 13 0 "[ . 1 . ]"
1 72 THR 2.255 0.136 11 0 "[ . 1 . ]"
1 73 TYR 0.833 0.067 3 0 "[ . 1 . ]"
1 74 THR 1.314 0.067 3 0 "[ . 1 . ]"
1 75 VAL 7.309 0.350 17 0 "[ . 1 . ]"
1 76 ARG 5.997 0.350 17 0 "[ . 1 . ]"
1 77 VAL 8.159 0.215 17 0 "[ . 1 . ]"
1 78 PRO 12.721 0.215 17 0 "[ . 1 . ]"
1 79 THR 3.690 0.201 12 0 "[ . 1 . ]"
1 80 ILE 11.774 0.332 5 0 "[ . 1 . ]"
1 81 PHE 9.761 0.225 1 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 3 PRO HA 1 4 GLY H . 2.700 3.500 2.923 2.673 3.357 0.027 3 0 "[ . 1 . ]" 1
2 1 3 PRO HB2 1 4 GLY H 5.000 4.000 6.000 4.243 3.977 4.383 0.023 5 0 "[ . 1 . ]" 1
3 1 4 GLY HA2 1 5 PHE H . 2.700 3.500 2.680 2.634 2.954 0.066 14 0 "[ . 1 . ]" 1
4 1 4 GLY HA2 1 20 LYS HB2 5.000 4.000 6.000 4.794 4.072 5.611 . 0 0 "[ . 1 . ]" 1
5 1 4 GLY HA2 1 20 LYS HB3 5.000 4.000 6.000 4.508 3.994 5.275 0.006 2 0 "[ . 1 . ]" 1
6 1 4 GLY HA3 1 5 PHE H . 2.700 3.500 2.644 2.529 2.686 0.171 8 0 "[ . 1 . ]" 1
7 1 4 GLY HA3 1 20 LYS HB2 5.000 4.000 6.000 5.770 4.913 6.026 0.026 19 0 "[ . 1 . ]" 1
8 1 4 GLY HA3 1 20 LYS HB3 5.000 4.000 6.000 5.356 4.327 6.029 0.029 10 0 "[ . 1 . ]" 1
9 1 5 PHE H 1 16 SER H 3.700 2.700 4.700 4.807 4.761 4.925 0.225 8 0 "[ . 1 . ]" 1
10 1 5 PHE H 1 16 SER HA 3.700 2.700 4.700 3.671 2.429 4.342 0.271 7 0 "[ . 1 . ]" 1
11 1 5 PHE H 1 16 SER HB2 5.000 4.000 6.000 4.607 3.826 5.144 0.174 4 0 "[ . 1 . ]" 1
12 1 5 PHE H 1 16 SER HB3 . 4.000 4.700 3.931 3.626 4.771 0.374 5 0 "[ . 1 . ]" 1
13 1 5 PHE HA 1 6 THR H . 2.700 3.500 3.298 2.433 3.543 0.267 7 0 "[ . 1 . ]" 1
14 1 5 PHE HB2 1 6 THR H 3.700 2.700 4.700 3.310 2.623 4.490 0.077 9 0 "[ . 1 . ]" 1
15 1 5 PHE HB2 1 16 SER HA 3.700 2.700 4.700 4.350 3.479 4.737 0.037 18 0 "[ . 1 . ]" 1
16 1 5 PHE HB2 1 16 SER HB2 3.700 2.700 4.700 3.779 3.171 4.772 0.072 1 0 "[ . 1 . ]" 1
17 1 5 PHE HB2 1 16 SER HB3 3.700 2.700 4.700 3.586 2.684 4.840 0.140 2 0 "[ . 1 . ]" 1
18 1 5 PHE HB3 1 6 THR H 3.700 2.700 4.700 4.105 3.406 4.600 . 0 0 "[ . 1 . ]" 1
19 1 5 PHE QD 1 16 SER H 5.000 4.000 7.000 5.972 5.324 7.025 0.025 9 0 "[ . 1 . ]" 1
20 1 5 PHE QD 1 16 SER HB3 3.700 2.700 5.700 4.704 3.544 5.853 0.153 4 0 "[ . 1 . ]" 1
21 1 5 PHE QD 1 60 ARG HD2 3.700 2.700 5.700 4.339 2.695 5.726 0.026 14 0 "[ . 1 . ]" 1
22 1 5 PHE QD 1 60 ARG HD3 3.700 2.700 5.700 4.085 2.705 5.720 0.020 11 0 "[ . 1 . ]" 1
23 1 5 PHE QD 1 60 ARG HG2 3.700 2.700 5.700 4.221 2.983 5.433 . 0 0 "[ . 1 . ]" 1
24 1 5 PHE QD 1 60 ARG HG3 5.000 4.000 7.000 5.274 4.366 6.231 . 0 0 "[ . 1 . ]" 1
25 1 6 THR HA 1 15 ASN HA 3.700 2.700 4.700 4.596 3.842 4.879 0.179 1 0 "[ . 1 . ]" 1
26 1 6 THR MG 1 15 ASN HB2 . 4.000 5.700 5.057 4.130 5.753 0.053 14 0 "[ . 1 . ]" 1
27 1 6 THR MG 1 15 ASN HB3 . 4.000 5.700 4.993 3.944 5.703 0.056 1 0 "[ . 1 . ]" 1
28 1 7 CYS HA 1 61 LEU HA 3.700 2.700 4.700 4.428 3.185 4.789 0.089 18 0 "[ . 1 . ]" 1
29 1 7 CYS HB2 1 62 CYS HB2 3.700 2.700 4.700 4.498 4.205 4.879 0.179 6 0 "[ . 1 . ]" 1
30 1 7 CYS HB2 1 62 CYS HB3 3.700 2.700 4.700 2.947 2.622 4.709 0.078 7 0 "[ . 1 . ]" 1
31 1 7 CYS HB3 1 62 CYS HB2 3.700 2.700 4.700 4.605 4.049 4.842 0.142 12 0 "[ . 1 . ]" 1
32 1 7 CYS HB3 1 62 CYS HB3 3.700 2.700 4.700 3.356 2.681 4.785 0.085 6 0 "[ . 1 . ]" 1
33 1 8 CYS HB2 1 9 VAL H 3.700 2.700 4.700 4.513 4.465 4.631 . 0 0 "[ . 1 . ]" 1
34 1 8 CYS HB2 1 59 HIS HD2 5.000 4.000 6.000 5.969 4.673 6.108 0.108 11 0 "[ . 1 . ]" 1
35 1 8 CYS HB3 1 59 HIS HD2 5.000 4.000 6.000 6.002 5.241 6.067 0.067 17 0 "[ . 1 . ]" 1
36 1 9 VAL HA 1 10 PRO HD2 2.500 . 3.500 2.080 1.924 2.462 . 0 0 "[ . 1 . ]" 1
37 1 9 VAL HA 1 41 VAL MG2 5.000 4.000 7.000 5.824 4.989 6.233 . 0 0 "[ . 1 . ]" 1
38 1 9 VAL HB 1 14 ASN HB2 5.000 4.000 6.000 5.820 4.552 6.136 0.136 2 0 "[ . 1 . ]" 1
39 1 9 VAL HB 1 62 CYS HB3 5.000 4.000 6.000 5.311 4.563 6.060 0.060 4 0 "[ . 1 . ]" 1
40 1 9 VAL MG1 1 10 PRO HD2 3.700 2.700 5.700 4.359 2.951 4.759 . 0 0 "[ . 1 . ]" 1
41 1 9 VAL MG1 1 65 HIS HD2 5.000 4.000 7.000 6.826 5.449 7.054 0.054 3 0 "[ . 1 . ]" 1
42 1 9 VAL MG1 1 65 HIS HE1 3.700 2.700 5.700 5.206 3.676 5.949 0.249 3 0 "[ . 1 . ]" 1
43 1 9 VAL MG1 1 81 PHE QD 3.700 2.700 6.700 6.364 4.412 6.869 0.169 5 0 "[ . 1 . ]" 1
44 1 9 VAL MG1 1 81 PHE QE . 4.000 6.700 5.889 4.038 6.669 . 0 0 "[ . 1 . ]" 1
45 1 9 VAL MG2 1 10 PRO HD2 3.700 2.700 5.700 3.259 2.965 3.635 . 0 0 "[ . 1 . ]" 1
46 1 9 VAL MG2 1 10 PRO HD3 . 4.000 5.700 4.204 3.953 4.367 0.047 3 0 "[ . 1 . ]" 1
47 1 9 VAL MG2 1 13 TYR HA 3.700 2.700 4.700 4.601 4.335 4.848 0.148 7 0 "[ . 1 . ]" 1
48 1 9 VAL MG2 1 14 ASN HB2 3.700 2.700 4.700 4.885 4.419 5.066 0.366 19 0 "[ . 1 . ]" 1
49 1 9 VAL MG2 1 65 HIS HE1 2.500 . 4.500 4.013 3.043 4.547 0.047 19 0 "[ . 1 . ]" 1
50 1 9 VAL MG2 1 81 PHE QD 2.500 . 5.500 5.335 4.926 5.542 0.042 2 0 "[ . 1 . ]" 1
51 1 9 VAL MG2 1 81 PHE QE 3.700 2.700 6.700 4.897 3.999 5.529 . 0 0 "[ . 1 . ]" 1
52 1 10 PRO HA 1 11 GLY H 3.700 2.700 4.700 3.448 3.327 3.532 . 0 0 "[ . 1 . ]" 1
53 1 10 PRO HD2 1 41 VAL MG2 5.000 4.000 7.000 6.997 6.658 7.131 0.131 7 0 "[ . 1 . ]" 1
54 1 10 PRO HD3 1 41 VAL MG2 5.000 4.000 7.000 6.706 6.028 7.036 0.036 15 0 "[ . 1 . ]" 1
55 1 13 TYR HA 1 63 SER HB2 3.700 2.700 4.700 4.824 4.778 4.982 0.282 7 0 "[ . 1 . ]" 1
56 1 13 TYR HA 1 63 SER HB3 3.700 2.700 4.700 4.776 4.735 4.811 0.111 7 0 "[ . 1 . ]" 1
57 1 14 ASN HA 1 15 ASN H . 2.700 3.500 2.522 2.474 2.578 0.226 10 0 "[ . 1 . ]" 1
58 1 14 ASN HB2 1 15 ASN H 3.700 2.700 4.700 2.963 2.630 3.648 0.070 12 0 "[ . 1 . ]" 1
59 1 14 ASN HB2 1 22 LEU MD2 3.700 2.700 4.700 4.078 3.762 4.788 0.088 2 0 "[ . 1 . ]" 1
60 1 14 ASN HB2 1 24 PHE QE 5.000 4.000 7.000 4.092 3.927 4.430 0.073 12 0 "[ . 1 . ]" 1
61 1 14 ASN HB2 1 24 PHE HZ 5.000 4.000 6.000 3.906 3.756 4.144 0.244 1 0 "[ . 1 . ]" 1
62 1 14 ASN HB2 1 62 CYS HB3 5.000 4.000 6.000 4.162 3.795 5.673 0.205 6 0 "[ . 1 . ]" 1
63 1 14 ASN HB3 1 15 ASN H 3.700 2.700 4.700 3.359 3.007 4.099 . 0 0 "[ . 1 . ]" 1
64 1 14 ASN HB3 1 22 LEU MD2 3.700 2.700 5.700 3.021 2.420 3.959 0.280 18 0 "[ . 1 . ]" 1
65 1 14 ASN HB3 1 24 PHE QE 5.000 4.000 7.000 4.707 3.904 5.093 0.096 7 0 "[ . 1 . ]" 1
66 1 14 ASN HB3 1 24 PHE HZ 3.700 2.700 4.700 4.526 3.508 4.808 0.108 1 0 "[ . 1 . ]" 1
67 1 14 ASN HD21 1 22 LEU MD1 3.700 2.700 5.700 3.485 2.678 4.309 0.022 14 0 "[ . 1 . ]" 1
68 1 14 ASN HD21 1 22 LEU MD2 3.700 2.700 5.700 4.495 3.266 5.765 0.065 6 0 "[ . 1 . ]" 1
69 1 14 ASN HD21 1 64 VAL MG1 3.700 2.700 5.700 5.230 4.239 5.759 0.059 19 0 "[ . 1 . ]" 1
70 1 14 ASN HD21 1 64 VAL MG2 3.700 2.700 5.700 4.601 2.993 5.183 . 0 0 "[ . 1 . ]" 1
71 1 14 ASN HD22 1 22 LEU MD1 5.000 4.000 7.000 4.145 3.753 4.990 0.247 4 0 "[ . 1 . ]" 1
72 1 14 ASN HD22 1 22 LEU MD2 . 4.000 5.700 5.046 4.046 5.708 0.008 12 0 "[ . 1 . ]" 1
73 1 14 ASN HD22 1 64 VAL MG1 3.700 2.700 5.700 4.859 4.090 5.776 0.076 7 0 "[ . 1 . ]" 1
74 1 14 ASN HD22 1 64 VAL MG2 3.700 2.700 4.500 4.536 3.134 4.850 0.350 4 0 "[ . 1 . ]" 1
75 1 15 ASN H 1 16 SER H 5.000 4.000 6.000 4.629 4.434 4.706 . 0 0 "[ . 1 . ]" 1
76 1 15 ASN H 1 18 ARG HB2 5.000 4.000 6.000 5.350 3.977 6.039 0.039 5 0 "[ . 1 . ]" 1
77 1 15 ASN H 1 19 ASP H . 4.000 4.700 4.601 4.086 4.783 0.083 7 0 "[ . 1 . ]" 1
78 1 15 ASN H 1 19 ASP HB2 3.700 2.700 4.700 3.736 2.994 4.730 0.030 18 0 "[ . 1 . ]" 1
79 1 15 ASN H 1 24 PHE HZ . 4.000 4.700 4.709 4.276 4.907 0.207 2 0 "[ . 1 . ]" 1
80 1 15 ASN HA 1 16 SER H 3.700 2.700 4.700 2.586 2.471 2.645 0.229 2 0 "[ . 1 . ]" 1
81 1 15 ASN HA 1 24 PHE QE 5.000 4.000 7.000 5.090 4.289 6.045 . 0 0 "[ . 1 . ]" 1
82 1 15 ASN HA 1 24 PHE HZ 5.000 4.000 6.000 5.773 4.277 6.146 0.146 12 0 "[ . 1 . ]" 1
83 1 15 ASN HB2 1 16 SER H 3.700 2.700 4.700 3.750 2.620 4.387 0.080 4 0 "[ . 1 . ]" 1
84 1 15 ASN HB3 1 16 SER H 3.700 2.700 4.700 3.674 2.850 4.402 . 0 0 "[ . 1 . ]" 1
85 1 15 ASN HD21 1 18 ARG HB3 3.700 2.700 4.700 4.109 3.108 4.756 0.056 4 0 "[ . 1 . ]" 1
86 1 15 ASN HD22 1 18 ARG HB2 5.000 4.000 6.000 4.780 3.929 6.015 0.071 6 0 "[ . 1 . ]" 1
87 1 15 ASN HD22 1 18 ARG HB3 . 4.000 4.700 4.389 3.929 4.843 0.143 6 0 "[ . 1 . ]" 1
88 1 16 SER H 1 17 HIS H 3.700 2.700 4.700 2.997 2.625 4.508 0.075 5 0 "[ . 1 . ]" 1
89 1 16 SER H 1 24 PHE HZ 5.000 4.000 6.000 5.885 5.300 6.208 0.208 7 0 "[ . 1 . ]" 1
90 1 16 SER HA 1 17 HIS H 3.700 2.700 4.700 3.307 2.661 3.580 0.039 4 0 "[ . 1 . ]" 1
91 1 16 SER HA 1 24 PHE QD 3.700 2.700 5.700 4.326 3.171 5.960 0.260 8 0 "[ . 1 . ]" 1
92 1 16 SER HA 1 24 PHE QE 2.500 . 4.500 2.543 1.833 4.267 . 0 0 "[ . 1 . ]" 1
93 1 16 SER HA 1 24 PHE HZ 3.700 2.700 4.700 4.070 3.441 4.770 0.070 2 0 "[ . 1 . ]" 1
94 1 16 SER HB2 1 42 SER HB3 3.700 2.700 4.700 4.898 4.763 4.957 0.257 19 0 "[ . 1 . ]" 1
95 1 16 SER HB3 1 42 SER HB2 3.700 2.700 4.700 4.765 4.720 4.809 0.109 10 0 "[ . 1 . ]" 1
96 1 17 HIS H 1 18 ARG H 2.500 . 3.500 2.510 1.754 3.537 0.037 2 0 "[ . 1 . ]" 1
97 1 17 HIS H 1 18 ARG HD2 5.000 4.000 6.000 5.680 4.642 6.136 0.136 8 0 "[ . 1 . ]" 1
98 1 17 HIS H 1 19 ASP H 5.000 4.000 6.000 4.471 3.944 5.507 0.056 11 0 "[ . 1 . ]" 1
99 1 17 HIS HA 1 18 ARG H 3.700 2.700 4.700 2.960 2.624 3.490 0.076 15 0 "[ . 1 . ]" 1
100 1 17 HIS HB2 1 18 ARG H 3.700 2.700 4.700 4.523 4.017 4.715 0.015 15 0 "[ . 1 . ]" 1
101 1 17 HIS HB3 1 18 ARG H . 4.000 4.700 4.484 3.951 4.722 0.049 14 0 "[ . 1 . ]" 1
102 1 17 HIS HB3 1 53 PHE HB3 3.700 2.700 4.700 4.744 4.700 4.786 0.086 5 0 "[ . 1 . ]" 1
103 1 18 ARG H 1 19 ASP H 2.500 . 3.500 2.281 1.594 3.160 . 0 0 "[ . 1 . ]" 1
104 1 18 ARG HA 1 19 ASP H 3.700 2.700 4.700 3.240 2.765 3.638 . 0 0 "[ . 1 . ]" 1
105 1 18 ARG HB2 1 19 ASP H . 4.000 4.700 4.240 3.759 4.632 0.241 7 0 "[ . 1 . ]" 1
106 1 18 ARG HB3 1 19 ASP H 3.700 2.700 4.700 3.849 2.659 4.547 0.041 10 0 "[ . 1 . ]" 1
107 1 18 ARG HG2 1 19 ASP H 3.700 2.700 4.700 4.080 2.601 4.789 0.099 18 0 "[ . 1 . ]" 1
108 1 19 ASP H 1 20 LYS H 3.700 2.700 4.700 2.639 2.496 2.821 0.204 18 0 "[ . 1 . ]" 1
109 1 19 ASP HA 1 20 LYS H 2.500 . 3.500 3.525 3.325 3.571 0.071 12 0 "[ . 1 . ]" 1
110 1 19 ASP HA 1 21 ALA H 3.700 2.700 4.700 3.858 3.599 4.871 0.171 7 0 "[ . 1 . ]" 1
111 1 19 ASP HA 1 22 LEU H 5.000 4.000 6.000 5.939 4.947 6.261 0.261 3 0 "[ . 1 . ]" 1
112 1 19 ASP HA 1 22 LEU MD2 5.000 4.000 7.000 4.635 3.973 5.902 0.027 14 0 "[ . 1 . ]" 1
113 1 19 ASP HB2 1 22 LEU H . 4.000 4.700 4.504 3.945 4.745 0.055 14 0 "[ . 1 . ]" 1
114 1 19 ASP HB2 1 22 LEU MD1 3.700 2.700 5.700 4.390 2.627 5.249 0.073 18 0 "[ . 1 . ]" 1
115 1 19 ASP HB2 1 22 LEU MD2 3.700 2.700 5.700 3.172 2.650 4.112 0.050 18 0 "[ . 1 . ]" 1
116 1 19 ASP HB2 1 22 LEU HG 3.700 2.700 4.700 4.059 2.988 4.727 0.027 9 0 "[ . 1 . ]" 1
117 1 19 ASP HB2 1 24 PHE HZ 5.000 4.000 6.000 4.728 3.954 6.035 0.046 3 0 "[ . 1 . ]" 1
118 1 19 ASP HB3 1 20 LYS H 3.700 2.700 4.700 3.030 2.621 4.055 0.079 4 0 "[ . 1 . ]" 1
119 1 19 ASP HB3 1 22 LEU H . 4.000 4.700 4.465 4.023 4.752 0.052 14 0 "[ . 1 . ]" 1
120 1 19 ASP HB3 1 22 LEU MD1 3.700 2.700 4.700 4.354 2.607 4.783 0.093 7 0 "[ . 1 . ]" 1
121 1 19 ASP HB3 1 22 LEU MD2 . 2.700 4.500 3.192 2.347 4.573 0.353 17 0 "[ . 1 . ]" 1
122 1 19 ASP HB3 1 22 LEU HG 3.700 2.700 4.700 4.008 2.892 4.729 0.029 3 0 "[ . 1 . ]" 1
123 1 19 ASP HB3 1 24 PHE HZ 5.000 4.000 6.000 4.924 3.982 5.709 0.018 6 0 "[ . 1 . ]" 1
124 1 20 LYS H 1 21 ALA H 3.700 2.700 4.700 2.705 2.658 3.024 0.042 17 0 "[ . 1 . ]" 1
125 1 20 LYS H 1 22 LEU H 5.000 4.000 6.000 4.201 3.951 4.616 0.049 8 0 "[ . 1 . ]" 1
126 1 20 LYS HA 1 21 ALA H 3.700 2.700 4.700 3.124 2.700 3.185 . 7 0 "[ . 1 . ]" 1
127 1 20 LYS HB2 1 21 ALA H 3.700 2.700 4.700 4.349 3.778 4.707 0.007 17 0 "[ . 1 . ]" 1
128 1 20 LYS HG3 1 21 ALA H 3.700 2.700 4.700 4.224 3.372 4.717 0.017 2 0 "[ . 1 . ]" 1
129 1 21 ALA H 1 22 LEU H . 2.700 3.500 2.530 2.464 2.574 0.236 14 0 "[ . 1 . ]" 1
130 1 21 ALA HA 1 22 LEU H 3.700 2.700 4.700 3.337 2.975 3.675 . 0 0 "[ . 1 . ]" 1
131 1 21 ALA MB 1 22 LEU H 3.700 2.700 5.700 3.236 2.646 3.625 0.054 7 0 "[ . 1 . ]" 1
132 1 22 LEU H 1 23 HIS H 5.000 4.000 6.000 4.336 3.937 4.680 0.063 3 0 "[ . 1 . ]" 1
133 1 22 LEU HA 1 23 HIS H . 2.700 3.500 3.212 2.849 3.538 0.038 19 0 "[ . 1 . ]" 1
134 1 22 LEU HB2 1 23 HIS H 3.700 2.700 4.700 2.653 2.622 2.690 0.078 19 0 "[ . 1 . ]" 1
135 1 22 LEU HB2 1 24 PHE QD 3.700 2.700 5.700 4.855 3.939 5.459 . 0 0 "[ . 1 . ]" 1
136 1 22 LEU HB2 1 24 PHE HZ 3.700 2.700 4.700 4.444 3.140 4.800 0.100 2 0 "[ . 1 . ]" 1
137 1 22 LEU HB2 1 63 SER H 5.000 4.000 6.000 5.040 4.396 5.751 . 0 0 "[ . 1 . ]" 1
138 1 22 LEU HB3 1 23 HIS H . 2.700 3.500 2.557 2.477 2.622 0.223 16 0 "[ . 1 . ]" 1
139 1 22 LEU HB3 1 63 SER H 5.000 4.000 6.000 5.413 4.868 6.026 0.026 7 0 "[ . 1 . ]" 1
140 1 22 LEU MD1 1 23 HIS H 5.000 4.000 5.700 4.220 4.128 4.309 . 0 0 "[ . 1 . ]" 1
141 1 22 LEU MD1 1 63 SER H 5.000 4.000 7.000 6.009 5.067 6.936 . 0 0 "[ . 1 . ]" 1
142 1 22 LEU MD2 1 23 HIS H 5.000 4.000 5.700 4.374 4.185 4.527 . 0 0 "[ . 1 . ]" 1
143 1 22 LEU MD2 1 24 PHE QE . 2.700 5.500 4.285 3.606 5.427 . 0 0 "[ . 1 . ]" 1
144 1 22 LEU MD2 1 24 PHE HZ 3.700 2.700 5.700 4.716 3.860 5.732 0.032 7 0 "[ . 1 . ]" 1
145 1 22 LEU MD2 1 62 CYS HB2 5.000 4.000 7.000 6.127 5.814 7.090 0.090 6 0 "[ . 1 . ]" 1
146 1 22 LEU MD2 1 62 CYS HB3 5.000 4.000 7.000 7.072 6.930 7.278 0.278 14 0 "[ . 1 . ]" 1
147 1 23 HIS H 1 24 PHE H 5.000 4.000 6.000 4.590 4.486 4.665 . 0 0 "[ . 1 . ]" 1
148 1 23 HIS H 1 24 PHE QD 5.000 4.000 7.000 4.437 3.968 5.031 0.032 3 0 "[ . 1 . ]" 1
149 1 23 HIS H 1 63 SER H 3.700 2.700 4.700 4.185 3.376 4.677 . 0 0 "[ . 1 . ]" 1
150 1 23 HIS H 1 63 SER HB2 5.000 4.000 6.000 4.245 3.999 4.600 0.001 12 0 "[ . 1 . ]" 1
151 1 23 HIS H 1 63 SER HB3 5.000 4.000 6.000 5.731 5.282 6.131 0.131 18 0 "[ . 1 . ]" 1
152 1 23 HIS HA 1 24 PHE H . 2.700 3.500 2.407 2.382 2.437 0.318 7 0 "[ . 1 . ]" 1
153 1 23 HIS HB2 1 24 PHE H 5.000 4.000 6.000 4.472 4.330 4.596 . 0 0 "[ . 1 . ]" 1
154 1 23 HIS HB2 1 25 TYR QD 5.000 4.000 7.000 5.835 5.667 6.240 . 0 0 "[ . 1 . ]" 1
155 1 23 HIS HB2 1 25 TYR QE 3.700 2.700 5.700 4.975 4.614 5.709 0.009 15 0 "[ . 1 . ]" 1
156 1 23 HIS HB2 1 63 SER HA 5.000 4.000 6.000 4.978 3.943 5.691 0.057 3 0 "[ . 1 . ]" 1
157 1 23 HIS HB2 1 63 SER HB2 . 4.000 4.700 4.732 4.711 4.761 0.061 3 0 "[ . 1 . ]" 1
158 1 23 HIS HB2 1 63 SER HB3 5.000 4.000 6.000 5.736 5.273 6.045 0.045 2 0 "[ . 1 . ]" 1
159 1 23 HIS HB3 1 24 PHE H 3.700 2.700 4.700 3.548 3.269 3.741 . 0 0 "[ . 1 . ]" 1
160 1 23 HIS HB3 1 25 TYR QD 5.000 4.000 7.000 4.133 3.946 4.572 0.054 2 0 "[ . 1 . ]" 1
161 1 23 HIS HB3 1 25 TYR QE 3.700 2.700 5.700 3.488 3.071 4.177 . 0 0 "[ . 1 . ]" 1
162 1 23 HIS HB3 1 63 SER HA 3.700 2.700 4.700 4.151 3.230 4.744 0.044 8 0 "[ . 1 . ]" 1
163 1 23 HIS HB3 1 63 SER HB2 . 4.000 4.700 4.715 4.589 4.751 0.051 7 0 "[ . 1 . ]" 1
164 1 23 HIS HB3 1 63 SER HB3 5.000 4.000 6.000 5.721 5.317 6.031 0.031 7 0 "[ . 1 . ]" 1
165 1 24 PHE H 1 25 TYR H 5.000 4.000 6.000 4.406 4.282 4.505 . 0 0 "[ . 1 . ]" 1
166 1 24 PHE HA 1 25 TYR H . 2.700 3.500 2.356 2.335 2.379 0.365 1 0 "[ . 1 . ]" 1
167 1 24 PHE HA 1 62 CYS HA . 2.700 3.500 2.622 2.545 2.679 0.155 8 0 "[ . 1 . ]" 1
168 1 24 PHE HA 1 63 SER H . 4.000 4.700 4.464 3.999 4.761 0.061 2 0 "[ . 1 . ]" 1
169 1 24 PHE HB2 1 25 TYR H 5.000 4.000 6.000 4.305 4.054 4.474 . 0 0 "[ . 1 . ]" 1
170 1 24 PHE HB2 1 26 THR MG 3.700 2.700 5.700 5.266 4.988 5.694 . 0 0 "[ . 1 . ]" 1
171 1 24 PHE HB2 1 60 ARG HB3 3.700 2.700 4.700 4.599 3.952 4.745 0.045 12 0 "[ . 1 . ]" 1
172 1 24 PHE HB3 1 25 TYR H 3.700 2.700 4.700 3.340 2.948 3.679 . 0 0 "[ . 1 . ]" 1
173 1 24 PHE HB3 1 26 THR MG 3.700 2.700 5.700 5.287 5.100 5.702 0.002 7 0 "[ . 1 . ]" 1
174 1 24 PHE HB3 1 60 ARG HB3 3.700 2.700 4.700 3.588 3.433 3.798 . 0 0 "[ . 1 . ]" 1
175 1 24 PHE QD 1 60 ARG HB2 5.000 4.000 7.000 3.927 3.868 3.985 0.132 1 0 "[ . 1 . ]" 1
176 1 24 PHE QD 1 60 ARG HB3 3.700 2.700 5.700 4.590 4.255 5.120 . 0 0 "[ . 1 . ]" 1
177 1 24 PHE QD 1 62 CYS HA 5.000 4.000 7.000 4.204 3.896 5.071 0.104 4 0 "[ . 1 . ]" 1
178 1 24 PHE QD 1 62 CYS HB2 . 4.000 5.700 4.172 3.928 4.857 0.072 10 0 "[ . 1 . ]" 1
179 1 24 PHE QE 1 62 CYS HA 5.000 4.000 7.000 5.192 4.333 6.456 . 0 0 "[ . 1 . ]" 1
180 1 24 PHE QE 1 62 CYS HB2 . 4.000 5.700 4.185 3.876 4.927 0.124 1 0 "[ . 1 . ]" 1
181 1 24 PHE QE 1 62 CYS HB3 3.700 2.700 5.700 3.837 2.784 4.799 . 0 0 "[ . 1 . ]" 1
182 1 25 TYR H 1 26 THR H 5.000 4.000 6.000 4.663 4.599 4.689 . 0 0 "[ . 1 . ]" 1
183 1 25 TYR H 1 61 LEU H 3.700 2.700 4.700 2.672 2.654 2.718 0.046 12 0 "[ . 1 . ]" 1
184 1 25 TYR H 1 62 CYS HA 3.700 2.700 4.700 3.299 2.965 3.533 . 0 0 "[ . 1 . ]" 1
185 1 25 TYR HA 1 26 THR H . 2.700 3.500 2.504 2.484 2.527 0.216 13 0 "[ . 1 . ]" 1
186 1 25 TYR HB2 1 26 THR H 3.700 2.700 4.700 3.922 3.700 4.070 . 0 0 "[ . 1 . ]" 1
187 1 25 TYR HB2 1 37 TRP HH2 3.700 2.700 4.700 4.690 4.389 4.744 0.044 3 0 "[ . 1 . ]" 1
188 1 25 TYR HB2 1 37 TRP HZ3 3.700 2.700 4.700 3.408 3.129 3.713 . 0 0 "[ . 1 . ]" 1
189 1 25 TYR HB3 1 26 THR H 3.700 2.700 4.700 2.710 2.687 2.782 0.013 10 0 "[ . 1 . ]" 1
190 1 25 TYR HB3 1 37 TRP HH2 3.700 2.700 4.700 4.175 3.802 4.718 0.018 7 0 "[ . 1 . ]" 1
191 1 25 TYR HB3 1 37 TRP HZ3 3.700 2.700 4.700 3.420 2.764 4.192 . 0 0 "[ . 1 . ]" 1
192 1 25 TYR QD 1 26 THR H 3.700 2.700 5.700 4.201 3.925 4.392 . 0 0 "[ . 1 . ]" 1
193 1 25 TYR QD 1 61 LEU MD1 5.000 4.000 8.000 5.090 3.990 6.454 0.010 3 0 "[ . 1 . ]" 1
194 1 25 TYR QD 1 61 LEU MD2 5.000 4.000 8.000 5.675 5.129 6.221 . 0 0 "[ . 1 . ]" 1
195 1 25 TYR QD 1 63 SER H 5.000 4.000 7.000 4.761 4.419 5.161 . 0 0 "[ . 1 . ]" 1
196 1 25 TYR QD 1 63 SER HA 3.700 2.700 5.700 4.523 4.052 5.572 . 0 0 "[ . 1 . ]" 1
197 1 25 TYR QD 1 66 PHE QD 2.500 . 6.500 4.565 3.586 5.301 . 0 0 "[ . 1 . ]" 1
198 1 25 TYR QD 1 66 PHE QE 2.500 . 6.500 3.142 2.593 3.841 . 0 0 "[ . 1 . ]" 1
199 1 25 TYR QD 1 66 PHE HZ 3.700 2.700 5.700 3.325 2.681 4.104 0.019 17 0 "[ . 1 . ]" 1
200 1 25 TYR QD 1 71 LYS HE2 5.000 4.000 7.000 5.165 3.996 6.489 0.004 4 0 "[ . 1 . ]" 1
201 1 25 TYR QD 1 71 LYS HE3 5.000 4.000 8.000 5.142 3.996 6.785 0.004 8 0 "[ . 1 . ]" 1
202 1 25 TYR QE 1 63 SER HA 3.700 2.700 4.500 3.230 2.660 3.938 0.040 13 0 "[ . 1 . ]" 1
203 1 25 TYR QE 1 63 SER HB2 3.700 2.700 5.700 5.546 5.165 5.732 0.032 17 0 "[ . 1 . ]" 1
204 1 25 TYR QE 1 63 SER HB3 5.000 4.000 7.000 5.806 5.366 6.386 . 0 0 "[ . 1 . ]" 1
205 1 25 TYR QE 1 66 PHE QD 3.700 2.700 7.700 3.817 3.126 4.762 . 0 0 "[ . 1 . ]" 1
206 1 25 TYR QE 1 66 PHE QE 3.700 2.700 7.700 3.414 2.876 3.990 . 0 0 "[ . 1 . ]" 1
207 1 25 TYR QE 1 70 ARG HA . 4.000 5.700 5.023 4.000 5.750 0.050 4 0 "[ . 1 . ]" 1
208 1 25 TYR QE 1 71 LYS H 5.000 4.000 7.000 6.025 4.632 6.996 . 0 0 "[ . 1 . ]" 1
209 1 25 TYR QE 1 71 LYS HB2 5.000 4.000 7.000 6.134 4.182 7.026 0.026 7 0 "[ . 1 . ]" 1
210 1 25 TYR QE 1 71 LYS HB3 5.000 4.000 7.000 6.144 4.488 7.119 0.119 17 0 "[ . 1 . ]" 1
211 1 26 THR H 1 27 PHE H 5.000 4.000 6.000 4.549 4.530 4.570 . 0 0 "[ . 1 . ]" 1
212 1 26 THR HA 1 27 PHE H . 2.700 3.500 2.556 2.524 2.602 0.176 19 0 "[ . 1 . ]" 1
213 1 26 THR HA 1 60 ARG HA 3.700 2.700 4.700 2.816 2.737 2.907 . 0 0 "[ . 1 . ]" 1
214 1 26 THR HB 1 27 PHE H . 2.700 3.500 2.690 2.675 2.696 0.025 14 0 "[ . 1 . ]" 1
215 1 26 THR MG 1 27 PHE H 3.700 2.700 5.700 3.863 2.687 4.040 0.013 14 0 "[ . 1 . ]" 1
216 1 27 PHE H 1 28 PRO HD2 5.000 4.000 6.000 5.119 5.026 5.200 . 0 0 "[ . 1 . ]" 1
217 1 27 PHE HA 1 28 PRO HD2 . 2.700 3.500 2.464 2.423 2.516 0.277 18 0 "[ . 1 . ]" 1
218 1 27 PHE HA 1 28 PRO HD3 . 2.700 3.500 2.348 2.320 2.385 0.380 7 0 "[ . 1 . ]" 1
219 1 27 PHE HA 1 28 PRO HG2 3.700 2.700 4.700 4.543 4.518 4.585 . 0 0 "[ . 1 . ]" 1
220 1 27 PHE HA 1 28 PRO HG3 3.700 2.700 4.700 4.482 4.438 4.528 . 0 0 "[ . 1 . ]" 1
221 1 27 PHE HA 1 37 TRP HE3 5.000 4.000 6.000 3.953 3.922 3.996 0.078 15 0 "[ . 1 . ]" 1
222 1 27 PHE HA 1 37 TRP HZ3 3.700 2.700 4.700 4.135 3.567 4.355 . 0 0 "[ . 1 . ]" 1
223 1 27 PHE HB2 1 28 PRO HD2 . 4.000 4.700 4.519 4.136 4.730 0.030 13 0 "[ . 1 . ]" 1
224 1 27 PHE HB2 1 28 PRO HD3 . 4.000 4.700 4.989 4.871 5.042 0.342 16 0 "[ . 1 . ]" 1
225 1 27 PHE HB3 1 28 PRO HD2 3.700 2.700 4.700 3.498 2.673 3.956 0.027 7 0 "[ . 1 . ]" 1
226 1 27 PHE HB3 1 28 PRO HD3 3.700 2.700 4.700 4.364 3.834 4.606 . 0 0 "[ . 1 . ]" 1
227 1 27 PHE HB3 1 34 ARG HG2 5.000 4.000 6.000 5.081 3.924 5.544 0.076 13 0 "[ . 1 . ]" 1
228 1 27 PHE HB3 1 34 ARG HG3 5.000 4.000 6.000 5.518 3.978 6.054 0.054 15 0 "[ . 1 . ]" 1
229 1 27 PHE QD 1 28 PRO HD2 3.700 2.700 5.700 3.137 2.675 3.800 0.025 13 0 "[ . 1 . ]" 1
230 1 27 PHE QD 1 28 PRO HD3 3.700 2.700 5.700 3.552 3.046 4.344 . 0 0 "[ . 1 . ]" 1
231 1 27 PHE QD 1 34 ARG HG2 . 2.700 4.500 3.982 3.245 4.505 0.005 1 0 "[ . 1 . ]" 1
232 1 27 PHE QD 1 37 TRP HB2 2.500 . 4.500 3.747 3.309 4.217 . 0 0 "[ . 1 . ]" 1
233 1 27 PHE QD 1 37 TRP HB3 . 2.700 4.500 4.058 3.824 4.682 0.182 5 0 "[ . 1 . ]" 1
234 1 27 PHE QD 1 37 TRP HE3 3.700 2.700 5.500 2.929 2.681 3.414 0.019 19 0 "[ . 1 . ]" 1
235 1 27 PHE QD 1 37 TRP HZ3 3.700 2.700 5.700 3.898 3.435 4.129 . 0 0 "[ . 1 . ]" 1
236 1 27 PHE QD 1 38 LEU MD1 3.700 2.700 6.700 4.977 3.156 5.700 . 0 0 "[ . 1 . ]" 1
237 1 27 PHE QD 1 38 LEU HG 3.700 2.700 5.700 5.136 4.372 5.902 0.202 2 0 "[ . 1 . ]" 1
238 1 27 PHE QD 1 41 VAL MG1 3.700 2.700 6.700 5.562 5.025 6.441 . 0 0 "[ . 1 . ]" 1
239 1 27 PHE QD 1 55 PRO HB2 3.700 2.700 5.700 5.727 5.422 5.769 0.069 5 0 "[ . 1 . ]" 1
240 1 27 PHE QD 1 55 PRO HB3 3.700 2.700 5.700 5.660 5.532 5.764 0.064 8 0 "[ . 1 . ]" 1
241 1 27 PHE QD 1 59 HIS HB2 5.000 4.000 7.000 4.939 4.656 5.498 . 0 0 "[ . 1 . ]" 1
242 1 27 PHE QD 1 59 HIS HB3 5.000 4.000 7.000 4.997 4.724 5.263 . 0 0 "[ . 1 . ]" 1
243 1 27 PHE QD 1 61 LEU MD2 . 4.000 6.700 4.543 3.824 5.258 0.176 9 0 "[ . 1 . ]" 1
244 1 27 PHE QE 1 34 ARG HG3 . 2.700 4.500 3.837 2.632 4.594 0.094 13 0 "[ . 1 . ]" 1
245 1 27 PHE QE 1 37 TRP HB2 2.500 . 4.500 2.314 1.718 3.565 . 0 0 "[ . 1 . ]" 1
246 1 27 PHE QE 1 37 TRP HE3 3.700 2.700 6.700 2.579 2.453 2.838 0.247 12 0 "[ . 1 . ]" 1
247 1 27 PHE QE 1 37 TRP HZ3 5.000 4.000 7.000 4.618 3.896 5.060 0.104 7 0 "[ . 1 . ]" 1
248 1 27 PHE QE 1 38 LEU HA 5.000 4.000 5.700 3.842 3.657 3.974 0.343 3 0 "[ . 1 . ]" 1
249 1 27 PHE QE 1 38 LEU MD1 2.500 . 5.500 3.302 1.808 4.167 . 0 0 "[ . 1 . ]" 1
250 1 27 PHE QE 1 38 LEU HG . 2.700 4.500 3.087 2.604 4.339 0.096 12 0 "[ . 1 . ]" 1
251 1 27 PHE QE 1 41 VAL MG1 2.500 . 5.500 4.061 3.325 4.778 . 0 0 "[ . 1 . ]" 1
252 1 27 PHE QE 1 41 VAL MG2 5.000 4.000 8.000 4.430 3.874 5.884 0.126 5 0 "[ . 1 . ]" 1
253 1 27 PHE QE 1 55 PRO HB2 5.000 4.000 7.000 4.398 3.993 5.397 0.007 8 0 "[ . 1 . ]" 1
254 1 27 PHE QE 1 55 PRO HB3 5.000 4.000 7.000 4.150 3.954 4.817 0.046 8 0 "[ . 1 . ]" 1
255 1 27 PHE QE 1 59 HIS HB2 . 4.000 5.700 4.001 3.858 4.377 0.142 19 0 "[ . 1 . ]" 1
256 1 27 PHE QE 1 59 HIS HB3 5.000 4.000 7.000 3.997 3.626 4.362 0.374 7 0 "[ . 1 . ]" 1
257 1 27 PHE QE 1 61 LEU MD1 5.000 4.000 8.000 4.810 3.952 5.535 0.048 7 0 "[ . 1 . ]" 1
258 1 27 PHE QE 1 61 LEU MD2 3.700 2.700 6.700 3.410 2.680 4.022 0.020 18 0 "[ . 1 . ]" 1
259 1 27 PHE HZ 1 38 LEU MD1 . 2.700 4.500 3.913 2.776 4.613 0.113 5 0 "[ . 1 . ]" 1
260 1 27 PHE HZ 1 41 VAL MG1 . 2.700 4.500 3.835 2.823 4.524 0.024 13 0 "[ . 1 . ]" 1
261 1 27 PHE HZ 1 41 VAL MG2 5.000 4.000 7.000 5.146 3.979 6.421 0.021 2 0 "[ . 1 . ]" 1
262 1 27 PHE HZ 1 61 LEU MD1 5.000 4.000 7.000 6.211 4.143 7.075 0.075 17 0 "[ . 1 . ]" 1
263 1 27 PHE HZ 1 61 LEU MD2 3.700 2.700 5.700 4.674 3.133 5.732 0.032 14 0 "[ . 1 . ]" 1
264 1 28 PRO HA 1 29 LYS H 3.700 2.700 4.700 2.534 2.513 2.547 0.187 13 0 "[ . 1 . ]" 1
265 1 28 PRO HB2 1 30 ASP H 3.700 2.700 4.700 2.996 2.802 3.137 . 0 0 "[ . 1 . ]" 1
266 1 28 PRO HB2 1 30 ASP HB2 . 4.000 4.700 4.345 4.317 4.387 . 0 0 "[ . 1 . ]" 1
267 1 28 PRO HB2 1 33 LEU MD1 3.700 2.700 5.700 4.742 4.628 4.835 . 0 0 "[ . 1 . ]" 1
268 1 28 PRO HB2 1 33 LEU MD2 5.000 4.000 7.000 4.378 4.224 4.499 . 0 0 "[ . 1 . ]" 1
269 1 28 PRO HB2 1 33 LEU HG 2.500 . 3.500 3.608 3.593 3.637 0.137 7 0 "[ . 1 . ]" 1
270 1 28 PRO HB2 1 34 ARG H 3.700 2.700 4.700 3.908 3.764 3.996 . 0 0 "[ . 1 . ]" 1
271 1 28 PRO HB2 1 34 ARG HA 5.000 4.000 6.000 3.981 3.900 4.187 0.100 12 0 "[ . 1 . ]" 1
272 1 28 PRO HB3 1 30 ASP H 3.700 2.700 4.700 3.064 2.947 3.161 . 0 0 "[ . 1 . ]" 1
273 1 28 PRO HB3 1 30 ASP HB2 3.700 2.700 4.700 4.764 4.733 4.780 0.080 4 0 "[ . 1 . ]" 1
274 1 28 PRO HB3 1 33 LEU HB2 3.700 2.700 4.700 4.747 4.724 4.766 0.066 18 0 "[ . 1 . ]" 1
275 1 28 PRO HB3 1 33 LEU HB3 3.700 2.700 4.700 3.590 3.552 3.651 . 0 0 "[ . 1 . ]" 1
276 1 28 PRO HB3 1 33 LEU MD1 3.700 2.700 5.700 5.056 4.997 5.115 . 0 0 "[ . 1 . ]" 1
277 1 28 PRO HB3 1 33 LEU MD2 3.700 2.700 5.700 3.887 3.674 4.077 . 0 0 "[ . 1 . ]" 1
278 1 28 PRO HB3 1 33 LEU HG . 2.700 3.500 3.625 3.585 3.663 0.163 7 0 "[ . 1 . ]" 1
279 1 28 PRO HD2 1 34 ARG HA 3.700 2.700 4.700 3.027 2.894 3.125 . 0 0 "[ . 1 . ]" 1
280 1 28 PRO HD2 1 34 ARG HB2 . 4.000 4.700 3.891 3.829 3.951 0.171 3 0 "[ . 1 . ]" 1
281 1 28 PRO HD2 1 37 TRP HE3 5.000 4.000 6.000 4.286 4.126 4.450 . 0 0 "[ . 1 . ]" 1
282 1 28 PRO HD2 1 37 TRP HZ3 3.700 2.700 4.700 4.901 4.762 4.959 0.259 8 0 "[ . 1 . ]" 1
283 1 28 PRO HD3 1 34 ARG HA 5.000 4.000 6.000 4.739 4.474 4.854 . 0 0 "[ . 1 . ]" 1
284 1 28 PRO HD3 1 37 TRP HE3 5.000 4.000 6.000 4.199 4.055 4.582 . 0 0 "[ . 1 . ]" 1
285 1 28 PRO HD3 1 37 TRP HZ3 5.000 4.000 6.000 3.883 3.807 4.000 0.193 13 0 "[ . 1 . ]" 1
286 1 28 PRO HG2 1 33 LEU HB2 3.700 2.700 4.700 4.707 4.616 4.767 0.067 13 0 "[ . 1 . ]" 1
287 1 28 PRO HG2 1 33 LEU HB3 3.700 2.700 4.700 3.252 3.183 3.353 . 0 0 "[ . 1 . ]" 1
288 1 28 PRO HG2 1 33 LEU HG 3.700 2.700 4.700 2.471 2.411 2.516 0.289 5 0 "[ . 1 . ]" 1
289 1 28 PRO HG2 1 34 ARG H . 4.000 4.700 4.745 4.703 4.760 0.060 4 0 "[ . 1 . ]" 1
290 1 28 PRO HG2 1 34 ARG HA . 4.000 4.700 3.900 3.868 3.961 0.132 12 0 "[ . 1 . ]" 1
291 1 28 PRO HG2 1 37 TRP HD1 5.000 4.000 6.000 4.966 4.762 5.326 . 0 0 "[ . 1 . ]" 1
292 1 28 PRO HG2 1 37 TRP HZ2 5.000 4.000 6.000 4.411 4.191 4.733 . 0 0 "[ . 1 . ]" 1
293 1 28 PRO HG3 1 33 LEU HG 3.700 2.700 4.700 3.744 3.630 3.929 . 0 0 "[ . 1 . ]" 1
294 1 28 PRO HG3 1 34 ARG HA 5.000 4.000 6.000 5.418 5.362 5.502 . 0 0 "[ . 1 . ]" 1
295 1 28 PRO HG3 1 37 TRP HZ2 5.000 4.000 6.000 4.207 3.968 4.623 0.032 7 0 "[ . 1 . ]" 1
296 1 29 LYS HA 1 30 ASP H 3.700 2.700 4.700 3.415 3.372 3.457 . 0 0 "[ . 1 . ]" 1
297 1 29 LYS HB2 1 30 ASP H . 2.700 3.500 3.501 3.287 3.623 0.123 5 0 "[ . 1 . ]" 1
298 1 29 LYS HB3 1 30 ASP H 3.700 2.700 4.700 4.327 4.141 4.459 . 0 0 "[ . 1 . ]" 1
299 1 29 LYS HG3 1 30 ASP H 2.500 . 3.500 3.265 2.449 3.546 0.046 3 0 "[ . 1 . ]" 1
300 1 30 ASP H 1 31 ALA H 5.000 4.000 6.000 4.446 4.434 4.462 . 0 0 "[ . 1 . ]" 1
301 1 30 ASP HA 1 31 ALA H 2.500 . 3.500 2.208 2.191 2.219 . 0 0 "[ . 1 . ]" 1
302 1 30 ASP HA 1 31 ALA MB 3.700 2.700 5.700 4.006 3.988 4.018 . 0 0 "[ . 1 . ]" 1
303 1 30 ASP HA 1 32 GLU H . 4.000 4.700 4.702 4.532 4.741 0.041 6 0 "[ . 1 . ]" 1
304 1 30 ASP HB2 1 31 ALA H 5.000 4.000 6.000 3.915 3.892 3.941 0.108 7 0 "[ . 1 . ]" 1
305 1 30 ASP HB2 1 32 GLU H 5.000 4.000 6.000 4.161 4.025 4.218 . 0 0 "[ . 1 . ]" 1
306 1 30 ASP HB2 1 33 LEU H 3.700 2.700 4.700 2.791 2.701 2.832 . 0 0 "[ . 1 . ]" 1
307 1 30 ASP HB2 1 33 LEU HB2 . 2.700 3.500 2.731 2.696 2.768 0.004 3 0 "[ . 1 . ]" 1
308 1 30 ASP HB2 1 33 LEU HB3 . 2.700 3.500 3.047 3.016 3.075 . 0 0 "[ . 1 . ]" 1
309 1 30 ASP HB2 1 33 LEU MD1 . 4.000 5.700 5.131 5.089 5.177 . 0 0 "[ . 1 . ]" 1
310 1 30 ASP HB2 1 33 LEU MD2 5.000 4.000 7.000 3.918 3.893 3.949 0.107 8 0 "[ . 1 . ]" 1
311 1 30 ASP HB2 1 34 ARG H 3.700 2.700 4.700 3.921 3.863 4.012 . 0 0 "[ . 1 . ]" 1
312 1 30 ASP HB3 1 31 ALA H . 4.000 4.700 3.923 3.905 3.943 0.095 1 0 "[ . 1 . ]" 1
313 1 30 ASP HB3 1 33 LEU H . 4.000 4.700 4.263 4.152 4.332 . 0 0 "[ . 1 . ]" 1
314 1 30 ASP HB3 1 33 LEU HB2 . 4.000 4.700 4.215 4.169 4.246 . 0 0 "[ . 1 . ]" 1
315 1 30 ASP HB3 1 33 LEU HB3 . 4.000 4.700 4.712 4.655 4.740 0.040 1 0 "[ . 1 . ]" 1
316 1 30 ASP HB3 1 33 LEU MD1 5.000 4.000 7.000 6.420 6.355 6.482 . 0 0 "[ . 1 . ]" 1
317 1 30 ASP HB3 1 33 LEU MD2 5.000 4.000 7.000 4.801 4.740 4.840 . 0 0 "[ . 1 . ]" 1
318 1 31 ALA H 1 32 GLU H 3.700 2.700 4.700 3.409 3.288 3.447 . 0 0 "[ . 1 . ]" 1
319 1 31 ALA HA 1 32 GLU H 3.700 2.700 4.700 3.671 3.647 3.682 . 0 0 "[ . 1 . ]" 1
320 1 31 ALA HA 1 33 LEU H 5.000 4.000 6.000 5.290 5.202 5.339 . 0 0 "[ . 1 . ]" 1
321 1 31 ALA HA 1 34 ARG H . 4.000 4.700 3.886 3.849 3.952 0.151 18 0 "[ . 1 . ]" 1
322 1 31 ALA HA 1 34 ARG HB2 3.700 2.700 4.700 4.107 3.817 4.421 . 0 0 "[ . 1 . ]" 1
323 1 31 ALA HA 1 34 ARG HB3 3.700 2.700 4.700 2.992 2.651 4.710 0.049 4 0 "[ . 1 . ]" 1
324 1 31 ALA HA 1 35 ARG H . 4.000 4.700 4.432 4.221 4.564 . 0 0 "[ . 1 . ]" 1
325 1 31 ALA MB 1 32 GLU H 3.700 2.700 4.500 2.500 2.484 2.550 0.216 2 0 "[ . 1 . ]" 1
326 1 31 ALA MB 1 32 GLU HA . 4.000 5.700 3.839 3.827 3.846 0.173 9 0 "[ . 1 . ]" 1
327 1 32 GLU H 1 33 LEU H 2.500 . 3.500 3.286 3.193 3.321 . 0 0 "[ . 1 . ]" 1
328 1 32 GLU H 1 34 ARG H 3.700 2.700 4.700 4.110 4.056 4.168 . 0 0 "[ . 1 . ]" 1
329 1 32 GLU HA 1 35 ARG H . 2.700 3.500 2.834 2.790 2.853 . 0 0 "[ . 1 . ]" 1
330 1 32 GLU HA 1 35 ARG HB2 3.700 2.700 4.700 4.414 4.026 4.624 . 0 0 "[ . 1 . ]" 1
331 1 32 GLU HA 1 35 ARG HB3 . 2.700 3.500 3.251 2.729 3.539 0.039 4 0 "[ . 1 . ]" 1
332 1 32 GLU HA 1 36 LEU H . 2.700 3.500 3.867 3.775 3.941 0.441 8 0 "[ . 1 . ]" 1
333 1 32 GLU HB2 1 34 ARG H 5.000 4.000 6.000 5.412 5.390 5.481 . 0 0 "[ . 1 . ]" 1
334 1 32 GLU HB3 1 33 LEU H 3.700 2.700 4.700 2.602 2.580 2.613 0.120 6 0 "[ . 1 . ]" 1
335 1 32 GLU HG2 1 33 LEU H 5.000 4.000 6.000 3.969 3.941 4.012 0.059 18 0 "[ . 1 . ]" 1
336 1 32 GLU HG2 1 36 LEU MD1 2.500 . 4.500 3.630 2.557 3.996 . 0 0 "[ . 1 . ]" 1
337 1 32 GLU HG2 1 36 LEU MD2 . 2.700 4.500 3.931 3.281 4.507 0.007 15 0 "[ . 1 . ]" 1
338 1 32 GLU HG3 1 33 LEU H . 4.000 4.700 4.445 4.310 4.709 0.009 6 0 "[ . 1 . ]" 1
339 1 32 GLU HG3 1 36 LEU MD1 3.700 2.700 4.500 4.284 3.579 4.515 0.015 7 0 "[ . 1 . ]" 1
340 1 33 LEU H 1 34 ARG H 2.500 . 3.500 2.826 2.789 2.879 . 0 0 "[ . 1 . ]" 1
341 1 33 LEU H 1 34 ARG HB3 5.000 4.000 6.000 4.956 4.624 6.093 0.093 13 0 "[ . 1 . ]" 1
342 1 33 LEU H 1 35 ARG H 3.700 2.700 4.700 4.630 4.421 4.682 . 0 0 "[ . 1 . ]" 1
343 1 33 LEU H 1 36 LEU H 3.700 2.700 4.700 4.696 4.665 4.718 0.018 17 0 "[ . 1 . ]" 1
344 1 33 LEU HA 1 34 ARG H . 2.700 3.500 3.447 3.429 3.489 . 0 0 "[ . 1 . ]" 1
345 1 33 LEU HA 1 35 ARG H 3.700 2.700 4.700 4.782 4.718 4.813 0.113 19 0 "[ . 1 . ]" 1
346 1 33 LEU HA 1 36 LEU H . 2.700 3.500 3.393 3.332 3.519 0.019 9 0 "[ . 1 . ]" 1
347 1 33 LEU HA 1 36 LEU HB2 . 2.700 3.500 2.676 2.598 3.157 0.102 3 0 "[ . 1 . ]" 1
348 1 33 LEU HA 1 36 LEU HB3 3.700 2.700 4.700 4.157 3.257 4.684 . 0 0 "[ . 1 . ]" 1
349 1 33 LEU HB2 1 34 ARG H 3.700 2.700 4.700 3.618 3.584 3.705 . 0 0 "[ . 1 . ]" 1
350 1 33 LEU HB3 1 34 ARG H . 2.700 3.500 2.623 2.599 2.650 0.101 9 0 "[ . 1 . ]" 1
351 1 33 LEU HB3 1 34 ARG HA 5.000 4.000 6.000 3.984 3.958 4.009 0.042 7 0 "[ . 1 . ]" 1
352 1 33 LEU MD1 1 34 ARG H . 4.000 5.700 4.026 3.962 4.084 0.038 7 0 "[ . 1 . ]" 1
353 1 33 LEU MD1 1 37 TRP HD1 3.700 2.700 4.500 2.636 2.589 2.687 0.111 16 0 "[ . 1 . ]" 1
354 1 33 LEU MD1 1 37 TRP HE1 3.700 2.700 5.700 2.675 2.662 2.702 0.038 15 0 "[ . 1 . ]" 1
355 1 33 LEU MD1 1 76 ARG HB2 5.000 4.000 7.000 5.241 3.998 5.797 0.002 17 0 "[ . 1 . ]" 1
356 1 33 LEU MD1 1 76 ARG HB3 5.000 4.000 5.700 4.585 3.963 5.738 0.038 8 0 "[ . 1 . ]" 1
357 1 33 LEU MD1 1 76 ARG HD2 . 4.000 4.500 4.415 3.994 4.550 0.050 11 0 "[ . 1 . ]" 1
358 1 33 LEU MD1 1 76 ARG HD3 3.700 2.700 5.700 4.824 2.811 5.692 . 0 0 "[ . 1 . ]" 1
359 1 33 LEU MD2 1 34 ARG H . 4.000 4.500 4.869 4.857 4.891 0.391 4 0 "[ . 1 . ]" 1
360 1 33 LEU MD2 1 37 TRP HD1 3.700 2.700 5.700 5.199 5.120 5.317 . 0 0 "[ . 1 . ]" 1
361 1 33 LEU MD2 1 37 TRP HE1 3.700 2.700 5.700 4.295 4.140 4.425 . 0 0 "[ . 1 . ]" 1
362 1 33 LEU MD2 1 37 TRP HZ2 3.700 2.700 5.700 5.511 5.246 5.752 0.052 2 0 "[ . 1 . ]" 1
363 1 33 LEU MD2 1 76 ARG HB2 3.700 2.700 5.700 5.413 4.013 5.747 0.047 7 0 "[ . 1 . ]" 1
364 1 33 LEU MD2 1 76 ARG HB3 . 4.000 5.700 5.012 4.230 5.706 0.006 10 0 "[ . 1 . ]" 1
365 1 33 LEU MD2 1 76 ARG HD2 5.000 4.000 5.700 4.203 3.952 5.118 0.048 11 0 "[ . 1 . ]" 1
366 1 33 LEU MD2 1 76 ARG HD3 . 4.000 5.700 4.640 3.977 5.294 0.023 10 0 "[ . 1 . ]" 1
367 1 33 LEU HG 1 34 ARG H . 4.000 4.700 4.463 4.323 4.517 . 0 0 "[ . 1 . ]" 1
368 1 33 LEU HG 1 34 ARG HA . 4.000 4.700 4.719 4.374 4.805 0.105 8 0 "[ . 1 . ]" 1
369 1 33 LEU HG 1 37 TRP HD1 . 4.000 4.700 4.601 4.378 4.748 0.048 7 0 "[ . 1 . ]" 1
370 1 33 LEU HG 1 37 TRP HE1 3.700 2.700 4.700 3.810 3.542 4.052 . 0 0 "[ . 1 . ]" 1
371 1 34 ARG H 1 35 ARG H 2.500 . 3.500 2.808 2.535 2.866 . 0 0 "[ . 1 . ]" 1
372 1 34 ARG HA 1 35 ARG H . 2.700 3.500 3.530 3.506 3.551 0.051 8 0 "[ . 1 . ]" 1
373 1 34 ARG HA 1 36 LEU H 3.700 2.700 4.700 3.992 3.771 4.068 . 0 0 "[ . 1 . ]" 1
374 1 34 ARG HA 1 37 TRP H 3.700 2.700 4.700 3.284 2.892 3.458 . 0 0 "[ . 1 . ]" 1
375 1 34 ARG HA 1 37 TRP HB2 2.500 . 3.500 2.946 2.402 3.195 . 0 0 "[ . 1 . ]" 1
376 1 34 ARG HA 1 37 TRP HD1 3.700 2.700 4.700 4.502 3.902 4.714 0.014 18 0 "[ . 1 . ]" 1
377 1 34 ARG HA 1 38 LEU H 3.700 2.700 4.700 4.321 4.031 4.599 . 0 0 "[ . 1 . ]" 1
378 1 34 ARG HB2 1 35 ARG H 3.700 2.700 4.700 3.732 3.110 3.873 . 0 0 "[ . 1 . ]" 1
379 1 34 ARG HB3 1 35 ARG H 3.700 2.700 4.700 3.392 2.693 4.115 0.007 4 0 "[ . 1 . ]" 1
380 1 34 ARG HD2 1 35 ARG H 2.500 . 3.500 3.396 2.815 3.587 0.087 19 0 "[ . 1 . ]" 1
381 1 35 ARG H 1 36 LEU H 2.500 . 3.500 2.685 2.652 2.748 . 0 0 "[ . 1 . ]" 1
382 1 35 ARG H 1 37 TRP H 5.000 4.000 6.000 4.392 4.235 4.539 . 0 0 "[ . 1 . ]" 1
383 1 35 ARG HA 1 36 LEU H . 2.700 3.500 3.537 3.527 3.560 0.060 9 0 "[ . 1 . ]" 1
384 1 35 ARG HA 1 38 LEU H . 2.700 3.500 2.921 2.842 3.116 . 0 0 "[ . 1 . ]" 1
385 1 35 ARG HA 1 38 LEU HB2 3.700 2.700 4.700 2.558 2.385 2.622 0.315 18 0 "[ . 1 . ]" 1
386 1 35 ARG HA 1 38 LEU MD2 2.500 . 4.500 3.123 1.784 3.605 . 0 0 "[ . 1 . ]" 1
387 1 35 ARG HB2 1 36 LEU H 3.700 2.700 4.700 4.118 3.902 4.357 . 0 0 "[ . 1 . ]" 1
388 1 35 ARG HB3 1 36 LEU H . 4.000 4.700 4.036 3.884 4.149 0.116 8 0 "[ . 1 . ]" 1
389 1 35 ARG HD2 1 36 LEU H . 2.700 3.500 2.963 2.654 3.553 0.053 17 0 "[ . 1 . ]" 1
390 1 35 ARG HG2 1 36 LEU H 3.700 2.700 4.700 4.111 2.675 4.247 0.025 8 0 "[ . 1 . ]" 1
391 1 35 ARG HG3 1 36 LEU H 3.700 2.700 4.700 2.732 2.627 4.337 0.073 3 0 "[ . 1 . ]" 1
392 1 36 LEU H 1 37 TRP H 2.500 . 3.500 2.756 2.610 2.834 . 0 0 "[ . 1 . ]" 1
393 1 36 LEU H 1 37 TRP HD1 . 4.000 4.700 4.520 4.335 4.635 . 0 0 "[ . 1 . ]" 1
394 1 36 LEU H 1 38 LEU H . 4.000 4.700 3.978 3.883 4.149 0.117 13 0 "[ . 1 . ]" 1
395 1 36 LEU HA 1 37 TRP H 3.700 2.700 4.700 3.543 3.501 3.574 . 0 0 "[ . 1 . ]" 1
396 1 36 LEU HA 1 37 TRP HD1 3.700 2.700 4.700 4.800 4.766 4.848 0.148 13 0 "[ . 1 . ]" 1
397 1 36 LEU HA 1 38 LEU H 3.700 2.700 4.700 4.234 4.178 4.417 . 0 0 "[ . 1 . ]" 1
398 1 36 LEU HA 1 39 LYS H . 2.700 3.500 3.525 3.461 3.547 0.047 16 0 "[ . 1 . ]" 1
399 1 36 LEU HA 1 39 LYS HB2 2.500 . 3.500 3.268 3.179 3.514 0.014 10 0 "[ . 1 . ]" 1
400 1 36 LEU HA 1 39 LYS HB3 3.700 2.700 4.700 4.873 4.806 4.935 0.235 6 0 "[ . 1 . ]" 1
401 1 36 LEU HA 1 39 LYS HD2 3.700 2.700 4.700 4.535 4.244 4.737 0.037 3 0 "[ . 1 . ]" 1
402 1 36 LEU HA 1 39 LYS HD3 3.700 2.700 4.700 4.154 3.025 4.743 0.043 10 0 "[ . 1 . ]" 1
403 1 36 LEU HB2 1 37 TRP H 3.700 2.700 4.700 2.721 2.661 3.531 0.039 5 0 "[ . 1 . ]" 1
404 1 36 LEU HB2 1 37 TRP HD1 3.700 2.700 4.700 3.025 2.792 4.251 . 0 0 "[ . 1 . ]" 1
405 1 36 LEU HB2 1 77 VAL MG1 2.500 . 4.500 3.897 3.173 4.522 0.022 9 0 "[ . 1 . ]" 1
406 1 36 LEU HB2 1 77 VAL MG2 5.000 4.000 5.700 5.505 4.840 5.712 0.012 8 0 "[ . 1 . ]" 1
407 1 36 LEU HB3 1 37 TRP H 3.700 2.700 4.700 3.379 2.695 3.644 0.005 15 0 "[ . 1 . ]" 1
408 1 36 LEU HB3 1 37 TRP HD1 3.700 2.700 4.700 3.228 2.645 3.660 0.055 15 0 "[ . 1 . ]" 1
409 1 36 LEU HB3 1 77 VAL HB 5.000 4.000 6.000 4.069 3.901 4.341 0.099 13 0 "[ . 1 . ]" 1
410 1 36 LEU HB3 1 77 VAL MG1 3.700 2.700 4.500 3.080 2.684 3.940 0.016 19 0 "[ . 1 . ]" 1
411 1 36 LEU HB3 1 77 VAL MG2 5.000 4.000 7.000 4.352 3.984 4.749 0.016 6 0 "[ . 1 . ]" 1
412 1 36 LEU MD1 1 37 TRP H 3.700 2.700 5.700 4.545 4.071 4.714 . 0 0 "[ . 1 . ]" 1
413 1 36 LEU MD2 1 37 TRP H . 4.000 5.700 4.658 4.544 4.901 . 0 0 "[ . 1 . ]" 1
414 1 36 LEU MD2 1 37 TRP HD1 3.700 2.700 6.700 4.982 3.920 5.241 . 0 0 "[ . 1 . ]" 1
415 1 36 LEU HG 1 37 TRP H . 4.000 4.700 4.607 4.460 4.712 0.012 3 0 "[ . 1 . ]" 1
416 1 37 TRP H 1 38 LEU H . 2.700 3.500 2.692 2.656 2.754 0.044 8 0 "[ . 1 . ]" 1
417 1 37 TRP H 1 39 LYS H . 4.000 4.700 4.406 4.314 4.503 . 0 0 "[ . 1 . ]" 1
418 1 37 TRP HA 1 40 ASN H 2.500 . 3.500 3.192 2.939 3.624 0.124 5 0 "[ . 1 . ]" 1
419 1 37 TRP HA 1 40 ASN HB2 5.000 4.000 6.000 4.082 3.686 4.631 0.314 9 0 "[ . 1 . ]" 1
420 1 37 TRP HA 1 40 ASN HB3 . 4.000 4.700 4.696 4.587 4.788 0.088 9 0 "[ . 1 . ]" 1
421 1 37 TRP HA 1 78 PRO HD2 . 4.000 4.700 4.038 3.920 4.482 0.080 3 0 "[ . 1 . ]" 1
422 1 37 TRP HA 1 78 PRO HD3 5.000 4.000 6.000 5.348 5.239 5.685 . 0 0 "[ . 1 . ]" 1
423 1 37 TRP HB2 1 38 LEU H 3.700 2.700 4.700 2.784 2.650 2.891 0.050 5 0 "[ . 1 . ]" 1
424 1 37 TRP HB2 1 38 LEU MD2 3.700 2.700 5.700 4.302 3.370 5.509 . 0 0 "[ . 1 . ]" 1
425 1 37 TRP HB3 1 38 LEU H . 2.700 3.500 3.535 3.398 3.608 0.108 8 0 "[ . 1 . ]" 1
426 1 37 TRP HD1 1 38 LEU H 3.700 2.700 4.700 4.752 4.713 4.782 0.082 10 0 "[ . 1 . ]" 1
427 1 37 TRP HD1 1 77 VAL HA 3.700 2.700 4.700 3.981 3.793 4.194 . 0 0 "[ . 1 . ]" 1
428 1 37 TRP HD1 1 77 VAL MG1 3.700 2.700 4.500 3.293 2.664 4.424 0.036 19 0 "[ . 1 . ]" 1
429 1 37 TRP HD1 1 77 VAL MG2 3.700 2.700 4.500 4.535 3.842 4.632 0.132 6 0 "[ . 1 . ]" 1
430 1 37 TRP HD1 1 78 PRO HD2 3.700 2.700 4.700 4.327 4.193 4.542 . 0 0 "[ . 1 . ]" 1
431 1 37 TRP HD1 1 78 PRO HD3 3.700 2.700 4.700 4.784 4.738 4.894 0.194 7 0 "[ . 1 . ]" 1
432 1 37 TRP HE1 1 76 ARG HB2 5.000 4.000 7.000 6.128 4.423 6.954 . 0 0 "[ . 1 . ]" 1
433 1 37 TRP HE1 1 76 ARG HB3 5.000 4.000 7.000 5.390 4.643 6.262 . 0 0 "[ . 1 . ]" 1
434 1 37 TRP HE1 1 77 VAL HA . 2.700 3.500 2.678 2.560 2.851 0.140 19 0 "[ . 1 . ]" 1
435 1 37 TRP HE1 1 77 VAL MG1 3.700 2.700 5.500 3.067 2.691 4.346 0.009 18 0 "[ . 1 . ]" 1
436 1 37 TRP HE1 1 77 VAL MG2 3.700 2.700 5.500 4.794 4.307 4.972 . 0 0 "[ . 1 . ]" 1
437 1 37 TRP HE1 1 78 PRO HD2 . 4.000 4.700 3.906 3.806 4.002 0.194 16 0 "[ . 1 . ]" 1
438 1 37 TRP HE1 1 78 PRO HD3 3.700 2.700 4.700 3.315 3.206 3.426 . 0 0 "[ . 1 . ]" 1
439 1 37 TRP HE3 1 38 LEU H 5.000 4.000 6.000 5.815 5.563 5.987 . 0 0 "[ . 1 . ]" 1
440 1 37 TRP HE3 1 61 LEU MD1 . 2.700 4.500 3.627 2.682 4.484 0.018 18 0 "[ . 1 . ]" 1
441 1 37 TRP HE3 1 61 LEU MD2 3.700 2.700 5.700 2.953 2.542 3.641 0.158 14 0 "[ . 1 . ]" 1
442 1 37 TRP HH2 1 61 LEU MD1 5.000 4.000 5.700 4.776 3.853 6.101 0.401 19 0 "[ . 1 . ]" 1
443 1 37 TRP HH2 1 61 LEU MD2 3.700 2.700 5.700 5.359 3.542 5.839 0.139 17 0 "[ . 1 . ]" 1
444 1 37 TRP HH2 1 66 PHE HZ 3.700 2.700 4.700 2.814 2.591 3.366 0.109 19 0 "[ . 1 . ]" 1
445 1 37 TRP HH2 1 71 LYS HD3 3.700 2.700 4.700 3.433 2.789 4.005 . 0 0 "[ . 1 . ]" 1
446 1 37 TRP HH2 1 71 LYS HE2 5.000 4.000 6.000 4.929 3.984 5.866 0.016 9 0 "[ . 1 . ]" 1
447 1 37 TRP HH2 1 71 LYS HE3 . 4.000 4.700 4.424 3.982 4.759 0.059 14 0 "[ . 1 . ]" 1
448 1 37 TRP HZ2 1 66 PHE QE . 2.700 5.500 3.663 2.954 4.312 . 0 0 "[ . 1 . ]" 1
449 1 37 TRP HZ2 1 66 PHE HZ 3.700 2.700 4.700 4.557 4.229 4.762 0.062 19 0 "[ . 1 . ]" 1
450 1 37 TRP HZ2 1 71 LYS HD2 3.700 2.700 4.700 3.339 2.687 4.422 0.013 3 0 "[ . 1 . ]" 1
451 1 37 TRP HZ2 1 71 LYS HD3 . 2.700 3.500 3.062 2.667 3.553 0.053 8 0 "[ . 1 . ]" 1
452 1 37 TRP HZ2 1 71 LYS HE2 5.000 4.000 6.000 5.267 4.017 5.856 . 0 0 "[ . 1 . ]" 1
453 1 37 TRP HZ2 1 71 LYS HE3 . 4.000 4.700 4.692 4.277 4.813 0.113 15 0 "[ . 1 . ]" 1
454 1 37 TRP HZ2 1 71 LYS HG2 5.000 4.000 6.000 5.064 4.017 5.989 . 0 0 "[ . 1 . ]" 1
455 1 37 TRP HZ2 1 71 LYS HG3 5.000 4.000 6.000 4.725 4.015 5.244 . 0 0 "[ . 1 . ]" 1
456 1 37 TRP HZ3 1 61 LEU HB2 3.700 2.700 4.700 2.799 2.614 3.266 0.086 7 0 "[ . 1 . ]" 1
457 1 37 TRP HZ3 1 61 LEU HB3 3.700 2.700 4.700 3.946 2.694 4.716 0.016 13 0 "[ . 1 . ]" 1
458 1 37 TRP HZ3 1 61 LEU MD1 2.500 . 4.500 3.820 3.091 4.728 0.228 16 0 "[ . 1 . ]" 1
459 1 37 TRP HZ3 1 61 LEU MD2 . 2.700 4.500 3.879 2.655 4.470 0.045 14 0 "[ . 1 . ]" 1
460 1 37 TRP HZ3 1 71 LYS HD3 5.000 4.000 6.000 5.689 4.925 6.055 0.055 11 0 "[ . 1 . ]" 1
461 1 38 LEU H 1 39 LYS H . 2.700 3.500 2.995 2.918 3.037 . 0 0 "[ . 1 . ]" 1
462 1 38 LEU H 1 40 ASN H 5.000 4.000 6.000 4.791 4.653 5.081 . 0 0 "[ . 1 . ]" 1
463 1 38 LEU H 1 41 VAL H 5.000 4.000 6.000 4.966 4.806 5.378 . 0 0 "[ . 1 . ]" 1
464 1 38 LEU HA 1 39 LYS H . 4.000 4.700 3.649 3.633 3.680 0.367 18 0 "[ . 1 . ]" 1
465 1 38 LEU HA 1 41 VAL H . 4.000 4.700 3.834 3.782 3.929 0.218 5 0 "[ . 1 . ]" 1
466 1 38 LEU HA 1 41 VAL MG1 3.700 2.700 5.700 2.635 2.445 3.450 0.255 19 0 "[ . 1 . ]" 1
467 1 38 LEU HA 1 41 VAL MG2 3.700 2.700 5.700 4.746 4.211 5.048 . 0 0 "[ . 1 . ]" 1
468 1 38 LEU HB2 1 39 LYS H . 2.700 3.500 2.533 2.478 2.634 0.222 15 0 "[ . 1 . ]" 1
469 1 38 LEU HB3 1 39 LYS H 3.700 2.700 4.700 3.302 2.713 3.541 . 0 0 "[ . 1 . ]" 1
470 1 38 LEU MD1 1 39 LYS H 3.700 2.700 5.700 4.468 4.052 4.738 . 0 0 "[ . 1 . ]" 1
471 1 38 LEU MD1 1 53 PHE QD 3.700 2.700 6.700 6.182 4.040 6.750 0.050 2 0 "[ . 1 . ]" 1
472 1 38 LEU MD1 1 55 PRO HD2 3.700 2.700 5.700 4.250 3.584 4.609 . 0 0 "[ . 1 . ]" 1
473 1 38 LEU MD1 1 55 PRO HD3 . 4.000 5.700 4.567 3.886 5.227 0.114 3 0 "[ . 1 . ]" 1
474 1 38 LEU MD2 1 39 LYS H 3.700 2.700 5.700 4.503 4.127 4.604 . 0 0 "[ . 1 . ]" 1
475 1 38 LEU MD2 1 53 PHE QD 3.700 2.700 6.700 5.587 4.905 6.749 0.049 7 0 "[ . 1 . ]" 1
476 1 38 LEU MD2 1 55 PRO HB2 3.700 2.700 5.700 2.725 2.644 3.093 0.056 16 0 "[ . 1 . ]" 1
477 1 38 LEU MD2 1 55 PRO HD2 3.700 2.700 5.700 4.642 2.683 5.557 0.017 7 0 "[ . 1 . ]" 1
478 1 38 LEU MD2 1 55 PRO HD3 . 4.000 5.700 4.792 4.256 5.574 . 0 0 "[ . 1 . ]" 1
479 1 39 LYS H 1 40 ASN H . 2.700 3.500 3.125 2.919 3.275 . 0 0 "[ . 1 . ]" 1
480 1 39 LYS HA 1 40 ASN H . 2.700 3.500 3.567 3.532 3.608 0.108 10 0 "[ . 1 . ]" 1
481 1 39 LYS HB2 1 40 ASN H 3.700 2.700 4.700 2.658 2.573 2.693 0.127 10 0 "[ . 1 . ]" 1
482 1 39 LYS HB2 1 41 VAL H 5.000 4.000 6.000 4.922 4.656 5.080 . 0 0 "[ . 1 . ]" 1
483 1 39 LYS HB3 1 40 ASN H . 2.700 3.500 2.726 2.641 3.511 0.059 6 0 "[ . 1 . ]" 1
484 1 39 LYS HB3 1 41 VAL H 5.000 4.000 6.000 5.006 4.810 5.581 . 0 0 "[ . 1 . ]" 1
485 1 40 ASN H 1 41 VAL H . 2.700 3.500 2.744 2.521 2.969 0.179 5 0 "[ . 1 . ]" 1
486 1 40 ASN H 1 41 VAL MG1 3.700 2.700 5.700 4.957 4.001 5.720 0.020 5 0 "[ . 1 . ]" 1
487 1 40 ASN HA 1 41 VAL H 3.700 2.700 4.700 3.458 3.382 3.518 . 0 0 "[ . 1 . ]" 1
488 1 40 ASN HB2 1 41 VAL H 3.700 2.700 4.700 3.171 2.662 3.439 0.038 3 0 "[ . 1 . ]" 1
489 1 40 ASN HB2 1 77 VAL MG2 3.700 2.700 5.700 4.507 3.043 5.702 0.002 6 0 "[ . 1 . ]" 1
490 1 40 ASN HB2 1 79 THR HA 5.000 4.000 6.000 4.246 3.964 5.209 0.036 14 0 "[ . 1 . ]" 1
491 1 40 ASN HB2 1 81 PHE QE . 4.000 5.700 4.091 3.854 5.061 0.146 19 0 "[ . 1 . ]" 1
492 1 40 ASN HB2 1 81 PHE HZ 5.000 4.000 6.000 4.524 3.996 6.020 0.020 9 0 "[ . 1 . ]" 1
493 1 40 ASN HB3 1 41 VAL H 3.700 2.700 4.700 4.127 3.267 4.350 . 0 0 "[ . 1 . ]" 1
494 1 40 ASN HB3 1 79 THR HA 3.700 2.700 4.700 3.246 2.688 4.272 0.012 12 0 "[ . 1 . ]" 1
495 1 40 ASN HB3 1 81 PHE QE 3.700 2.700 5.700 3.580 2.997 4.707 . 0 0 "[ . 1 . ]" 1
496 1 40 ASN HB3 1 81 PHE HZ 5.000 4.000 6.000 4.552 3.978 5.869 0.022 2 0 "[ . 1 . ]" 1
497 1 40 ASN HD21 1 77 VAL MG1 3.700 2.700 4.700 4.658 4.487 4.755 0.055 17 0 "[ . 1 . ]" 1
498 1 40 ASN HD21 1 77 VAL MG2 . 2.700 3.500 3.085 2.639 3.524 0.061 5 0 "[ . 1 . ]" 1
499 1 40 ASN HD21 1 79 THR HA . 4.000 4.700 4.481 3.984 4.744 0.044 8 0 "[ . 1 . ]" 1
500 1 40 ASN HD21 1 79 THR MG 3.700 2.700 4.500 3.374 2.707 4.054 . 0 0 "[ . 1 . ]" 1
501 1 40 ASN HD22 1 77 VAL MG2 . 2.700 3.500 2.975 2.606 3.543 0.094 8 0 "[ . 1 . ]" 1
502 1 40 ASN HD22 1 79 THR HA 5.000 4.000 6.000 5.546 3.906 6.101 0.101 14 0 "[ . 1 . ]" 1
503 1 40 ASN HD22 1 79 THR MG 3.700 2.700 4.500 3.977 2.672 4.595 0.095 14 0 "[ . 1 . ]" 1
504 1 41 VAL H 1 42 SER H . 2.700 3.500 2.670 2.637 2.778 0.063 9 0 "[ . 1 . ]" 1
505 1 41 VAL HA 1 42 SER H 3.700 2.700 4.700 3.499 3.468 3.516 . 0 0 "[ . 1 . ]" 1
506 1 41 VAL HB 1 42 SER H . 4.000 4.700 4.022 3.669 4.478 0.331 5 0 "[ . 1 . ]" 1
507 1 41 VAL MG1 1 42 SER H 3.700 2.700 5.700 2.739 2.669 3.788 0.031 19 0 "[ . 1 . ]" 1
508 1 41 VAL MG1 1 53 PHE QD 5.000 4.000 6.700 4.958 3.957 6.188 0.043 8 0 "[ . 1 . ]" 1
509 1 41 VAL MG1 1 53 PHE HZ . 4.000 5.700 5.397 3.948 5.769 0.069 5 0 "[ . 1 . ]" 1
510 1 41 VAL MG1 1 61 LEU MD1 3.700 2.700 6.700 4.637 3.124 5.582 . 0 0 "[ . 1 . ]" 1
511 1 41 VAL MG1 1 61 LEU MD2 2.500 . 5.500 3.403 2.109 5.033 . 0 0 "[ . 1 . ]" 1
512 1 41 VAL MG1 1 81 PHE QE 3.700 2.700 6.700 6.740 6.352 6.900 0.200 14 0 "[ . 1 . ]" 1
513 1 41 VAL MG2 1 42 SER H 3.700 2.700 5.700 4.299 3.611 4.400 . 0 0 "[ . 1 . ]" 1
514 1 41 VAL MG2 1 81 PHE QD 3.700 2.700 7.700 7.219 6.578 7.779 0.079 7 0 "[ . 1 . ]" 1
515 1 42 SER H 1 43 ARG H . 4.000 4.700 3.805 3.662 3.893 0.338 5 0 "[ . 1 . ]" 1
516 1 42 SER HB3 1 43 ARG H 3.700 2.700 4.700 2.838 2.661 3.305 0.039 2 0 "[ . 1 . ]" 1
517 1 43 ARG H 1 44 ALA H 3.700 2.700 4.700 3.348 2.645 4.419 0.055 2 0 "[ . 1 . ]" 1
518 1 43 ARG HA 1 44 ALA H 3.700 2.700 4.700 3.023 2.603 3.597 0.097 6 0 "[ . 1 . ]" 1
519 1 43 ARG HB3 1 44 ALA H 3.700 2.700 4.700 3.688 2.506 4.696 0.194 14 0 "[ . 1 . ]" 1
520 1 43 ARG HG3 1 44 ALA H 3.700 2.700 4.700 3.968 2.692 4.840 0.140 14 0 "[ . 1 . ]" 1
521 1 44 ALA H 1 45 GLY H 5.000 4.000 6.000 3.955 3.912 4.020 0.088 8 0 "[ . 1 . ]" 1
522 1 44 ALA HA 1 45 GLY H 3.700 2.700 4.700 2.626 2.596 2.647 0.104 18 0 "[ . 1 . ]" 1
523 1 44 ALA MB 1 45 GLY H . 4.000 5.700 3.810 3.797 3.820 0.203 17 0 "[ . 1 . ]" 1
524 1 45 GLY H 1 46 VAL H . 2.700 3.500 2.924 2.608 3.546 0.092 3 0 "[ . 1 . ]" 1
525 1 45 GLY HA2 1 46 VAL H . 2.700 3.500 3.106 2.446 3.568 0.254 19 0 "[ . 1 . ]" 1
526 1 45 GLY HA3 1 46 VAL H . 2.700 3.500 3.183 2.494 3.576 0.206 10 0 "[ . 1 . ]" 1
527 1 45 GLY HA3 1 46 VAL MG1 3.700 2.700 5.700 4.952 3.247 5.823 0.123 19 0 "[ . 1 . ]" 1
528 1 45 GLY HA3 1 52 THR MG . 4.000 5.700 4.935 3.993 5.737 0.037 10 0 "[ . 1 . ]" 1
529 1 46 VAL HA 1 47 SER H 3.700 2.700 4.700 2.797 2.580 3.374 0.120 12 0 "[ . 1 . ]" 1
530 1 46 VAL MG1 1 47 SER H . 4.000 5.700 4.120 3.961 4.393 0.039 4 0 "[ . 1 . ]" 1
531 1 46 VAL MG1 1 47 SER HB2 5.000 4.000 7.000 5.173 4.452 5.734 . 0 0 "[ . 1 . ]" 1
532 1 46 VAL MG1 1 47 SER HB3 2.500 . 4.500 3.986 3.131 4.719 0.219 4 0 "[ . 1 . ]" 1
533 1 46 VAL MG2 1 47 SER H . 4.000 5.700 4.027 3.910 4.278 0.090 3 0 "[ . 1 . ]" 1
534 1 46 VAL MG2 1 47 SER HB2 5.000 4.000 7.000 5.621 5.061 6.025 . 0 0 "[ . 1 . ]" 1
535 1 46 VAL MG2 1 47 SER HB3 . 2.700 4.500 4.489 4.050 4.625 0.125 3 0 "[ . 1 . ]" 1
536 1 47 SER HA 1 48 GLY H 5.000 4.000 6.000 3.756 3.743 3.770 0.257 6 0 "[ . 1 . ]" 1
537 1 49 CYS HA 1 50 PHE H 3.700 2.700 4.700 3.113 2.649 3.568 0.051 1 0 "[ . 1 . ]" 1
538 1 50 PHE HA 1 51 SER H . 4.000 4.700 3.681 3.644 3.691 0.356 12 0 "[ . 1 . ]" 1
539 1 51 SER HA 1 52 THR H 3.700 2.700 4.700 3.138 2.637 3.573 0.063 12 0 "[ . 1 . ]" 1
540 1 52 THR H 1 53 PHE H 3.700 2.700 4.700 3.383 2.633 4.702 0.067 10 0 "[ . 1 . ]" 1
541 1 52 THR HA 1 53 PHE H . 2.700 3.500 2.908 2.544 3.548 0.156 1 0 "[ . 1 . ]" 1
542 1 52 THR MG 1 53 PHE H 5.000 4.000 7.000 4.092 3.937 4.402 0.063 14 0 "[ . 1 . ]" 1
543 1 53 PHE H 1 54 GLN H 3.700 2.700 4.700 2.898 2.635 3.223 0.065 8 0 "[ . 1 . ]" 1
544 1 53 PHE HA 1 54 GLN H . 2.700 3.500 2.840 2.590 3.075 0.110 8 0 "[ . 1 . ]" 1
545 1 53 PHE HB2 1 54 GLN H . 4.000 4.700 4.434 4.357 4.494 . 0 0 "[ . 1 . ]" 1
546 1 53 PHE HB3 1 54 GLN H 3.700 2.700 4.700 4.654 4.586 4.705 0.005 11 0 "[ . 1 . ]" 1
547 1 53 PHE QD 1 54 GLN H 3.700 2.700 5.700 4.155 3.665 4.673 . 0 0 "[ . 1 . ]" 1
548 1 53 PHE QD 1 55 PRO HA . 4.000 6.700 4.322 4.094 4.777 . 0 0 "[ . 1 . ]" 1
549 1 53 PHE QD 1 55 PRO HB2 . 4.000 6.700 6.213 5.802 6.596 . 0 0 "[ . 1 . ]" 1
550 1 53 PHE QD 1 55 PRO HD2 . 4.000 6.700 5.414 4.809 6.094 . 0 0 "[ . 1 . ]" 1
551 1 53 PHE QD 1 59 HIS HD2 3.700 2.700 5.700 4.380 3.030 5.031 . 0 0 "[ . 1 . ]" 1
552 1 53 PHE QE 1 55 PRO HA 5.000 4.000 6.700 5.612 5.036 6.382 . 0 0 "[ . 1 . ]" 1
553 1 53 PHE QE 1 55 PRO HB2 5.000 4.000 6.700 6.651 6.091 6.761 0.061 16 0 "[ . 1 . ]" 1
554 1 53 PHE QE 1 59 HIS HE1 . 4.000 5.700 4.430 3.962 5.777 0.077 2 0 "[ . 1 . ]" 1
555 1 54 GLN HA 1 55 PRO HD2 . 2.700 3.500 2.706 2.622 2.790 0.078 7 0 "[ . 1 . ]" 1
556 1 54 GLN HA 1 55 PRO HD3 2.500 . 3.500 1.900 1.847 1.971 . 0 0 "[ . 1 . ]" 1
557 1 54 GLN HB2 1 55 PRO HD2 3.700 2.700 4.700 4.681 4.522 4.763 0.063 2 0 "[ . 1 . ]" 1
558 1 54 GLN HB2 1 55 PRO HD3 . 4.000 4.700 4.552 4.377 4.712 0.012 12 0 "[ . 1 . ]" 1
559 1 54 GLN HB3 1 55 PRO HD3 . 4.000 4.700 4.264 3.925 4.711 0.075 2 0 "[ . 1 . ]" 1
560 1 54 GLN HG2 1 55 PRO HD2 3.700 2.700 4.700 3.085 2.668 4.402 0.032 15 0 "[ . 1 . ]" 1
561 1 54 GLN HG2 1 55 PRO HD3 3.700 2.700 4.700 3.595 2.923 4.753 0.053 5 0 "[ . 1 . ]" 1
562 1 54 GLN HG3 1 55 PRO HD3 . 4.000 4.700 4.181 3.913 4.709 0.087 5 0 "[ . 1 . ]" 1
563 1 55 PRO HA 1 56 THR H 3.700 2.700 4.700 3.391 2.650 3.564 0.050 2 0 "[ . 1 . ]" 1
564 1 55 PRO HA 1 59 HIS HE1 . 4.000 4.700 3.992 3.945 4.151 0.055 7 0 "[ . 1 . ]" 1
565 1 56 THR HA 1 57 THR H 5.000 4.000 6.000 3.658 3.651 3.669 0.349 12 0 "[ . 1 . ]" 1
566 1 57 THR HA 1 58 GLY H 3.700 2.700 4.700 3.498 3.449 3.587 . 0 0 "[ . 1 . ]" 1
567 1 58 GLY HA2 1 59 HIS H 3.700 2.700 4.700 2.554 2.506 2.670 0.194 14 0 "[ . 1 . ]" 1
568 1 58 GLY HA3 1 59 HIS H 3.700 2.700 4.700 3.644 3.600 3.664 . 0 0 "[ . 1 . ]" 1
569 1 59 HIS H 1 60 ARG H 5.000 4.000 6.000 4.520 4.451 4.594 . 0 0 "[ . 1 . ]" 1
570 1 59 HIS HA 1 60 ARG H 2.500 . 3.500 2.137 2.055 2.320 . 0 0 "[ . 1 . ]" 1
571 1 59 HIS HB2 1 60 ARG H 5.000 4.000 6.000 4.246 4.050 4.391 . 0 0 "[ . 1 . ]" 1
572 1 59 HIS HB3 1 60 ARG H 3.700 2.700 4.700 3.171 2.775 3.452 . 0 0 "[ . 1 . ]" 1
573 1 59 HIS HD2 1 60 ARG H 3.700 2.700 4.700 4.592 4.304 4.728 0.028 13 0 "[ . 1 . ]" 1
574 1 60 ARG H 1 61 LEU H 5.000 4.000 6.000 4.524 4.487 4.558 . 0 0 "[ . 1 . ]" 1
575 1 60 ARG HA 1 61 LEU H . 2.700 3.500 2.602 2.570 2.638 0.130 6 0 "[ . 1 . ]" 1
576 1 60 ARG HB2 1 61 LEU H . 2.700 3.500 2.620 2.538 2.679 0.162 3 0 "[ . 1 . ]" 1
577 1 60 ARG HB3 1 61 LEU H 3.700 2.700 4.700 3.928 3.463 4.043 . 0 0 "[ . 1 . ]" 1
578 1 61 LEU H 1 62 CYS H 5.000 4.000 6.000 4.646 4.596 4.697 . 0 0 "[ . 1 . ]" 1
579 1 61 LEU HA 1 62 CYS H . 2.700 3.500 2.587 2.555 2.615 0.145 19 0 "[ . 1 . ]" 1
580 1 61 LEU HA 1 65 HIS HD2 5.000 4.000 6.000 4.619 3.914 5.294 0.086 18 0 "[ . 1 . ]" 1
581 1 61 LEU HB2 1 62 CYS H 3.700 2.700 4.700 4.141 3.903 4.354 . 0 0 "[ . 1 . ]" 1
582 1 61 LEU HB2 1 65 HIS HD2 5.000 4.000 6.000 5.134 4.065 6.142 0.142 7 0 "[ . 1 . ]" 1
583 1 61 LEU HB3 1 62 CYS H 3.700 2.700 4.700 2.995 2.653 3.616 0.047 4 0 "[ . 1 . ]" 1
584 1 61 LEU HB3 1 65 HIS HD2 3.700 2.700 4.700 3.830 2.613 4.798 0.098 16 0 "[ . 1 . ]" 1
585 1 61 LEU MD1 1 65 HIS HD2 3.700 2.700 4.500 2.777 2.467 4.592 0.233 17 0 "[ . 1 . ]" 1
586 1 61 LEU MD1 1 66 PHE QD 3.700 2.700 6.700 4.920 3.143 6.566 . 0 0 "[ . 1 . ]" 1
587 1 61 LEU MD1 1 66 PHE QE 2.500 . 6.500 3.822 2.505 5.449 . 0 0 "[ . 1 . ]" 1
588 1 61 LEU MD1 1 66 PHE HZ 3.700 2.700 5.700 3.704 2.670 5.704 0.030 17 0 "[ . 1 . ]" 1
589 1 61 LEU MD1 1 81 PHE QD 5.000 4.000 8.000 6.731 6.205 7.286 . 0 0 "[ . 1 . ]" 1
590 1 61 LEU MD1 1 81 PHE QE 2.500 . 5.500 4.962 4.462 5.509 0.009 5 0 "[ . 1 . ]" 1
591 1 61 LEU MD2 1 65 HIS HD2 3.700 2.700 5.700 3.651 2.646 5.710 0.054 6 0 "[ . 1 . ]" 1
592 1 61 LEU MD2 1 66 PHE HZ . 4.000 5.700 4.996 3.734 5.794 0.266 19 0 "[ . 1 . ]" 1
593 1 61 LEU MD2 1 81 PHE QD 5.000 4.000 8.000 7.276 6.532 8.225 0.225 1 0 "[ . 1 . ]" 1
594 1 61 LEU MD2 1 81 PHE QE 3.700 2.700 7.700 5.488 4.687 6.456 . 0 0 "[ . 1 . ]" 1
595 1 61 LEU HG 1 65 HIS HD2 3.700 2.700 4.700 4.474 2.624 4.885 0.185 2 0 "[ . 1 . ]" 1
596 1 62 CYS H 1 63 SER H 5.000 4.000 6.000 4.502 4.425 4.566 . 0 0 "[ . 1 . ]" 1
597 1 62 CYS H 1 65 HIS HD2 3.700 2.700 4.700 3.159 2.583 3.727 0.117 7 0 "[ . 1 . ]" 1
598 1 62 CYS HA 1 63 SER H 2.500 . 3.500 2.534 2.249 2.679 . 0 0 "[ . 1 . ]" 1
599 1 62 CYS HB2 1 63 SER H 3.700 2.700 4.700 2.660 2.564 2.743 0.136 2 0 "[ . 1 . ]" 1
600 1 62 CYS HB3 1 63 SER H 3.700 2.700 4.700 3.852 3.052 3.968 . 0 0 "[ . 1 . ]" 1
601 1 62 CYS HB3 1 65 HIS HE1 5.000 4.000 6.000 4.272 3.989 5.263 0.011 4 0 "[ . 1 . ]" 1
602 1 63 SER H 1 64 VAL H 2.500 . 3.500 3.623 3.544 3.698 0.198 3 0 "[ . 1 . ]" 1
603 1 63 SER H 1 66 PHE QD 5.000 4.000 7.000 6.156 5.235 6.914 . 0 0 "[ . 1 . ]" 1
604 1 63 SER HA 1 64 VAL H 3.700 2.700 4.700 3.362 3.161 3.559 . 0 0 "[ . 1 . ]" 1
605 1 63 SER HA 1 65 HIS H 3.700 2.700 4.700 4.168 3.939 4.607 . 0 0 "[ . 1 . ]" 1
606 1 63 SER HA 1 66 PHE H 5.000 4.000 6.000 5.771 5.257 6.050 0.050 2 0 "[ . 1 . ]" 1
607 1 63 SER HA 1 66 PHE QD 2.500 . 4.500 4.422 3.792 4.583 0.083 9 0 "[ . 1 . ]" 1
608 1 63 SER HA 1 66 PHE QE 3.700 2.700 5.700 4.904 3.912 5.828 0.128 7 0 "[ . 1 . ]" 1
609 1 64 VAL H 1 65 HIS H 2.500 . 3.500 3.454 2.670 3.563 0.063 16 0 "[ . 1 . ]" 1
610 1 64 VAL HA 1 65 HIS H 3.700 2.700 4.700 2.926 2.688 3.332 0.012 16 0 "[ . 1 . ]" 1
611 1 64 VAL HA 1 66 PHE H 3.700 2.700 4.700 3.977 3.198 4.728 0.028 1 0 "[ . 1 . ]" 1
612 1 64 VAL HB 1 65 HIS H 3.700 2.700 4.700 4.366 4.118 4.492 . 0 0 "[ . 1 . ]" 1
613 1 64 VAL MG1 1 65 HIS H 3.700 2.700 5.700 4.397 4.195 4.477 . 0 0 "[ . 1 . ]" 1
614 1 64 VAL MG2 1 65 HIS H 3.700 2.700 4.500 3.639 3.016 4.228 . 0 0 "[ . 1 . ]" 1
615 1 64 VAL MG2 1 65 HIS HD2 3.700 2.700 5.700 5.499 3.197 5.798 0.098 5 0 "[ . 1 . ]" 1
616 1 64 VAL MG2 1 65 HIS HE1 3.700 2.700 5.700 3.184 2.675 5.703 0.025 6 0 "[ . 1 . ]" 1
617 1 65 HIS H 1 66 PHE H . 2.700 3.500 2.630 2.588 2.668 0.112 1 0 "[ . 1 . ]" 1
618 1 65 HIS H 1 66 PHE QD 3.700 2.700 5.700 3.526 2.689 4.091 0.011 11 0 "[ . 1 . ]" 1
619 1 65 HIS HA 1 66 PHE H 3.700 2.700 4.700 3.223 2.703 3.681 . 0 0 "[ . 1 . ]" 1
620 1 65 HIS HA 1 80 ILE H 3.700 2.700 4.700 4.582 2.838 4.845 0.145 17 0 "[ . 1 . ]" 1
621 1 65 HIS HA 1 80 ILE HB . 2.700 3.500 2.918 2.639 3.354 0.061 13 0 "[ . 1 . ]" 1
622 1 65 HIS HA 1 80 ILE MD 3.700 2.700 5.700 4.124 2.698 5.746 0.046 19 0 "[ . 1 . ]" 1
623 1 65 HIS HA 1 80 ILE HG13 5.000 4.000 6.000 4.590 3.869 5.705 0.131 6 0 "[ . 1 . ]" 1
624 1 65 HIS HA 1 80 ILE MG 3.700 2.700 5.700 3.385 2.690 4.730 0.010 15 0 "[ . 1 . ]" 1
625 1 65 HIS HB2 1 78 PRO HB3 3.700 2.700 4.700 2.698 2.609 3.060 0.091 11 0 "[ . 1 . ]" 1
626 1 65 HIS HB2 1 80 ILE H 5.000 4.000 6.000 4.902 3.867 5.587 0.133 2 0 "[ . 1 . ]" 1
627 1 65 HIS HB3 1 66 PHE H 5.000 4.000 6.000 4.254 3.694 4.658 0.306 16 0 "[ . 1 . ]" 1
628 1 65 HIS HB3 1 78 PRO HB3 3.700 2.700 4.700 3.526 2.677 4.722 0.023 7 0 "[ . 1 . ]" 1
629 1 65 HIS HB3 1 80 ILE H 5.000 4.000 6.000 3.841 3.668 4.041 0.332 5 0 "[ . 1 . ]" 1
630 1 65 HIS HD2 1 81 PHE QE 5.000 4.000 7.000 4.335 3.980 5.159 0.020 15 0 "[ . 1 . ]" 1
631 1 65 HIS HE1 1 81 PHE QD 5.000 4.000 7.000 6.664 5.065 7.195 0.195 3 0 "[ . 1 . ]" 1
632 1 66 PHE H 1 67 GLN H 3.700 2.700 4.700 4.480 3.598 4.738 0.038 5 0 "[ . 1 . ]" 1
633 1 66 PHE H 1 80 ILE MD 5.000 4.000 7.000 5.038 3.987 6.512 0.013 10 0 "[ . 1 . ]" 1
634 1 66 PHE H 1 80 ILE MG 3.700 2.700 5.700 5.447 4.579 5.728 0.028 1 0 "[ . 1 . ]" 1
635 1 66 PHE HA 1 67 GLN H . 2.700 3.500 2.600 2.552 2.629 0.148 2 0 "[ . 1 . ]" 1
636 1 66 PHE HA 1 78 PRO HA 3.700 2.700 4.700 3.796 2.963 4.438 . 0 0 "[ . 1 . ]" 1
637 1 66 PHE HB2 1 75 VAL MG2 3.700 2.700 5.700 5.567 5.045 5.744 0.044 11 0 "[ . 1 . ]" 1
638 1 66 PHE HB3 1 67 GLN H 3.700 2.700 4.700 2.874 2.519 4.285 0.181 19 0 "[ . 1 . ]" 1
639 1 66 PHE HB3 1 75 VAL MG2 . 2.700 4.500 4.359 3.756 4.599 0.099 12 0 "[ . 1 . ]" 1
640 1 66 PHE QD 1 71 LYS HA 3.700 2.700 5.700 4.304 2.674 5.704 0.026 4 0 "[ . 1 . ]" 1
641 1 66 PHE QD 1 75 VAL HB 3.700 2.700 5.700 4.905 3.821 5.819 0.119 13 0 "[ . 1 . ]" 1
642 1 66 PHE QD 1 75 VAL MG2 2.500 . 5.500 3.698 2.496 5.072 . 0 0 "[ . 1 . ]" 1
643 1 66 PHE QD 1 78 PRO HA 5.000 4.000 7.000 4.165 3.952 4.562 0.048 16 0 "[ . 1 . ]" 1
644 1 66 PHE QE 1 75 VAL MG2 3.700 2.700 6.700 4.935 3.171 6.739 0.039 8 0 "[ . 1 . ]" 1
645 1 66 PHE QE 1 78 PRO HA 5.000 4.000 7.000 4.548 3.951 5.145 0.049 8 0 "[ . 1 . ]" 1
646 1 66 PHE QE 1 78 PRO HD2 5.000 4.000 5.700 4.497 3.991 5.019 0.009 13 0 "[ . 1 . ]" 1
647 1 66 PHE QE 1 78 PRO HD3 3.700 2.700 5.700 3.387 2.879 3.936 . 0 0 "[ . 1 . ]" 1
648 1 66 PHE HZ 1 78 PRO HD2 5.000 4.000 6.000 5.148 4.762 5.467 . 0 0 "[ . 1 . ]" 1
649 1 66 PHE HZ 1 78 PRO HD3 3.700 2.700 4.700 4.669 4.187 4.820 0.120 19 0 "[ . 1 . ]" 1
650 1 67 GLN H 1 75 VAL MG1 5.000 4.000 7.000 4.441 3.899 5.908 0.101 11 0 "[ . 1 . ]" 1
651 1 67 GLN H 1 75 VAL MG2 3.700 2.700 5.700 3.111 2.693 3.615 0.007 3 0 "[ . 1 . ]" 1
652 1 67 GLN H 1 80 ILE MD 5.000 4.000 5.700 4.616 3.973 5.561 0.027 17 0 "[ . 1 . ]" 1
653 1 67 GLN HA 1 68 GLY H 3.700 2.700 4.700 2.569 2.550 2.600 0.150 15 0 "[ . 1 . ]" 1
654 1 67 GLN HA 1 80 ILE MD 2.500 . 4.500 4.436 3.871 4.531 0.031 11 0 "[ . 1 . ]" 1
655 1 67 GLN HA 1 80 ILE HG12 5.000 4.000 6.000 5.820 4.748 6.088 0.088 8 0 "[ . 1 . ]" 1
656 1 67 GLN HB2 1 75 VAL MG2 3.700 2.700 5.700 3.762 2.687 4.924 0.013 19 0 "[ . 1 . ]" 1
657 1 67 GLN HB2 1 80 ILE MD . 4.000 5.700 4.567 3.913 5.811 0.111 4 0 "[ . 1 . ]" 1
658 1 67 GLN HB3 1 75 VAL MG2 3.700 2.700 5.700 3.939 2.799 4.880 . 0 0 "[ . 1 . ]" 1
659 1 67 GLN HB3 1 80 ILE MD 3.700 2.700 5.700 4.669 2.728 5.654 . 0 0 "[ . 1 . ]" 1
660 1 67 GLN HG2 1 80 ILE MD . 4.000 5.700 4.901 3.988 5.712 0.012 6 0 "[ . 1 . ]" 1
661 1 67 GLN HG3 1 80 ILE MD . 4.000 5.700 4.835 3.978 5.734 0.034 16 0 "[ . 1 . ]" 1
662 1 68 GLY H 1 69 GLY H 5.000 4.000 6.000 4.144 3.898 4.694 0.102 4 0 "[ . 1 . ]" 1
663 1 68 GLY HA2 1 69 GLY H 3.700 2.700 4.700 3.262 2.532 3.641 0.168 6 0 "[ . 1 . ]" 1
664 1 68 GLY HA3 1 69 GLY H 3.700 2.700 4.700 2.677 2.532 3.647 0.168 11 0 "[ . 1 . ]" 1
665 1 69 GLY H 1 70 ARG H 5.000 4.000 6.000 4.164 3.969 4.416 0.031 5 0 "[ . 1 . ]" 1
666 1 69 GLY HA3 1 70 ARG H 3.700 2.700 4.700 2.895 2.534 3.317 0.166 13 0 "[ . 1 . ]" 1
667 1 70 ARG H 1 71 LYS HE2 . 4.000 4.700 4.740 4.139 4.883 0.183 13 0 "[ . 1 . ]" 1
668 1 70 ARG HA 1 71 LYS H . 2.700 3.500 3.046 2.673 3.516 0.027 14 0 "[ . 1 . ]" 1
669 1 70 ARG HB2 1 71 LYS H 3.700 2.700 4.700 4.238 2.664 4.652 0.036 17 0 "[ . 1 . ]" 1
670 1 70 ARG HB2 1 72 THR MG 3.700 2.700 5.700 4.971 2.690 5.720 0.020 4 0 "[ . 1 . ]" 1
671 1 70 ARG HB3 1 71 LYS H 3.700 2.700 4.700 3.894 2.667 4.647 0.033 17 0 "[ . 1 . ]" 1
672 1 70 ARG HB3 1 72 THR MG . 4.000 5.700 4.845 3.961 5.713 0.039 5 0 "[ . 1 . ]" 1
673 1 70 ARG HD2 1 72 THR MG 3.700 2.700 5.700 4.988 3.097 5.707 0.007 9 0 "[ . 1 . ]" 1
674 1 70 ARG HD3 1 72 THR MG . 4.000 5.700 5.191 3.994 5.737 0.037 5 0 "[ . 1 . ]" 1
675 1 70 ARG HG2 1 72 THR MG 3.700 2.700 5.700 4.120 3.057 5.715 0.015 18 0 "[ . 1 . ]" 1
676 1 70 ARG HG3 1 71 LYS H . 4.000 4.700 4.294 3.968 4.765 0.065 17 0 "[ . 1 . ]" 1
677 1 70 ARG HG3 1 72 THR MG . 2.700 4.500 3.728 3.044 4.554 0.054 11 0 "[ . 1 . ]" 1
678 1 71 LYS HA 1 72 THR H 2.500 . 3.500 2.291 2.114 3.501 0.001 19 0 "[ . 1 . ]" 1
679 1 71 LYS HA 1 72 THR MG 5.000 4.000 5.700 4.253 3.864 5.105 0.136 11 0 "[ . 1 . ]" 1
680 1 71 LYS HA 1 75 VAL HB 5.000 4.000 6.000 4.315 3.971 5.130 0.029 19 0 "[ . 1 . ]" 1
681 1 71 LYS HA 1 75 VAL MG2 3.700 2.700 5.700 3.804 2.684 4.963 0.016 19 0 "[ . 1 . ]" 1
682 1 71 LYS HB3 1 72 THR H 3.700 2.700 4.700 4.318 3.432 4.672 . 0 0 "[ . 1 . ]" 1
683 1 71 LYS HG2 1 72 THR H 3.700 2.700 4.700 4.219 2.574 4.833 0.133 11 0 "[ . 1 . ]" 1
684 1 71 LYS HG2 1 76 ARG HA 3.700 2.700 4.700 4.482 2.978 4.741 0.041 17 0 "[ . 1 . ]" 1
685 1 71 LYS HG3 1 72 THR H 5.000 4.000 6.000 4.477 3.896 5.876 0.104 11 0 "[ . 1 . ]" 1
686 1 71 LYS HG3 1 76 ARG HA 3.700 2.700 4.700 4.372 3.063 4.778 0.078 19 0 "[ . 1 . ]" 1
687 1 72 THR H 1 75 VAL H . 4.000 4.700 4.118 3.930 4.488 0.070 15 0 "[ . 1 . ]" 1
688 1 72 THR H 1 75 VAL HB 3.700 2.700 4.700 4.497 4.053 4.763 0.063 19 0 "[ . 1 . ]" 1
689 1 72 THR H 1 75 VAL MG2 . 4.000 5.700 4.374 3.951 5.165 0.049 18 0 "[ . 1 . ]" 1
690 1 72 THR MG 1 75 VAL H 5.000 4.000 7.000 5.119 4.153 5.807 . 0 0 "[ . 1 . ]" 1
691 1 72 THR MG 1 75 VAL HB . 4.000 5.700 5.604 4.665 5.766 0.066 16 0 "[ . 1 . ]" 1
692 1 73 TYR HA 1 74 THR H . 2.700 3.500 3.125 2.637 3.563 0.063 6 0 "[ . 1 . ]" 1
693 1 73 TYR HB2 1 74 THR H 3.700 2.700 4.700 3.711 2.633 4.573 0.067 3 0 "[ . 1 . ]" 1
694 1 73 TYR HB2 1 74 THR MG 3.700 2.700 5.700 5.033 3.526 5.710 0.010 6 0 "[ . 1 . ]" 1
695 1 73 TYR HB3 1 74 THR H 3.700 2.700 4.700 3.518 2.667 4.684 0.033 1 0 "[ . 1 . ]" 1
696 1 73 TYR HB3 1 74 THR MG 5.000 4.000 5.700 4.657 3.972 5.729 0.029 18 0 "[ . 1 . ]" 1
697 1 73 TYR QD 1 74 THR MG 3.700 2.700 4.500 3.792 3.074 4.521 0.021 3 0 "[ . 1 . ]" 1
698 1 73 TYR QE 1 74 THR MG 5.000 4.000 7.000 5.021 3.990 6.309 0.010 17 0 "[ . 1 . ]" 1
699 1 74 THR HA 1 75 VAL H 3.700 2.700 4.700 3.522 3.292 3.596 . 0 0 "[ . 1 . ]" 1
700 1 74 THR HB 1 75 VAL H 3.700 2.700 4.700 2.940 2.682 3.897 0.018 7 0 "[ . 1 . ]" 1
701 1 74 THR HB 1 75 VAL MG1 . 2.700 4.500 4.431 4.055 4.555 0.055 18 0 "[ . 1 . ]" 1
702 1 74 THR MG 1 75 VAL H . 4.000 5.700 4.134 3.967 4.478 0.033 12 0 "[ . 1 . ]" 1
703 1 75 VAL H 1 76 ARG H 5.000 4.000 6.000 4.291 4.024 4.541 . 0 0 "[ . 1 . ]" 1
704 1 75 VAL HA 1 76 ARG H 2.500 . 3.500 2.272 2.138 2.369 . 0 0 "[ . 1 . ]" 1
705 1 75 VAL HA 1 77 VAL H . 4.000 4.700 3.973 3.878 4.241 0.122 8 0 "[ . 1 . ]" 1
706 1 75 VAL HB 1 76 ARG H 5.000 4.000 6.000 4.353 3.889 4.704 0.111 16 0 "[ . 1 . ]" 1
707 1 75 VAL MG1 1 76 ARG H 3.700 2.700 5.700 3.580 2.686 4.348 0.014 19 0 "[ . 1 . ]" 1
708 1 75 VAL MG1 1 77 VAL H 3.700 2.700 5.700 4.386 2.736 5.712 0.012 17 0 "[ . 1 . ]" 1
709 1 75 VAL MG2 1 76 ARG H . 4.000 5.700 3.979 3.650 4.418 0.350 17 0 "[ . 1 . ]" 1
710 1 75 VAL MG2 1 77 VAL H 3.700 2.700 5.700 4.639 3.591 5.710 0.010 1 0 "[ . 1 . ]" 1
711 1 76 ARG H 1 77 VAL H 2.500 . 3.500 2.308 1.945 2.594 . 0 0 "[ . 1 . ]" 1
712 1 76 ARG H 1 77 VAL MG1 3.700 2.700 4.700 3.961 3.320 4.333 . 0 0 "[ . 1 . ]" 1
713 1 76 ARG HA 1 77 VAL H 3.700 2.700 4.700 3.565 3.527 3.590 . 0 0 "[ . 1 . ]" 1
714 1 76 ARG HB2 1 77 VAL H 3.700 2.700 4.700 3.396 2.678 3.926 0.022 3 0 "[ . 1 . ]" 1
715 1 76 ARG HB3 1 77 VAL H 3.700 2.700 4.700 2.983 2.632 4.196 0.068 12 0 "[ . 1 . ]" 1
716 1 76 ARG HG2 1 77 VAL H 5.000 4.000 6.000 4.514 3.930 5.076 0.070 8 0 "[ . 1 . ]" 1
717 1 77 VAL HA 1 78 PRO HD2 . 2.700 3.500 2.698 2.660 2.798 0.040 5 0 "[ . 1 . ]" 1
718 1 77 VAL HA 1 78 PRO HD3 2.500 . 3.500 1.967 1.887 2.050 . 0 0 "[ . 1 . ]" 1
719 1 77 VAL HB 1 78 PRO HD2 3.700 2.700 4.700 3.424 3.304 3.911 . 0 0 "[ . 1 . ]" 1
720 1 77 VAL HB 1 78 PRO HD3 5.000 4.000 6.000 3.843 3.785 3.934 0.215 17 0 "[ . 1 . ]" 1
721 1 77 VAL MG1 1 78 PRO HD2 . 4.000 5.700 4.522 4.302 4.815 . 0 0 "[ . 1 . ]" 1
722 1 77 VAL MG2 1 78 PRO HD2 . 2.700 4.500 3.858 2.673 4.241 0.027 9 0 "[ . 1 . ]" 1
723 1 77 VAL MG2 1 78 PRO HD3 3.700 2.700 5.700 4.262 3.514 4.451 . 0 0 "[ . 1 . ]" 1
724 1 78 PRO HA 1 79 THR H . 2.700 3.500 2.806 2.659 3.065 0.041 9 0 "[ . 1 . ]" 1
725 1 78 PRO HA 1 80 ILE H 3.700 2.700 4.700 4.778 4.758 4.808 0.108 15 0 "[ . 1 . ]" 1
726 1 78 PRO HB2 1 81 PHE QE 5.000 4.000 7.000 5.104 4.787 5.224 . 0 0 "[ . 1 . ]" 1
727 1 78 PRO HB2 1 81 PHE HZ 5.000 4.000 6.000 4.342 3.978 4.615 0.022 9 0 "[ . 1 . ]" 1
728 1 78 PRO HB3 1 81 PHE QE 3.700 2.700 5.700 5.384 5.123 5.546 . 0 0 "[ . 1 . ]" 1
729 1 78 PRO HB3 1 81 PHE HZ . 4.000 4.700 4.821 4.783 4.851 0.151 7 0 "[ . 1 . ]" 1
730 1 79 THR H 1 80 ILE H 3.700 2.700 4.700 4.047 3.966 4.144 . 0 0 "[ . 1 . ]" 1
731 1 79 THR HA 1 80 ILE H 2.500 . 3.500 2.013 1.907 2.100 . 0 0 "[ . 1 . ]" 1
732 1 79 THR HA 1 81 PHE QD 5.000 4.000 7.000 4.398 3.930 5.388 0.070 4 0 "[ . 1 . ]" 1
733 1 79 THR HA 1 81 PHE QE 3.700 2.700 5.700 3.309 2.627 4.725 0.073 10 0 "[ . 1 . ]" 1
734 1 79 THR HB 1 80 ILE H 5.000 4.000 6.000 3.954 3.799 4.370 0.201 12 0 "[ . 1 . ]" 1
735 1 79 THR MG 1 80 ILE H 3.700 2.700 5.700 3.747 3.095 4.425 . 0 0 "[ . 1 . ]" 1
736 1 80 ILE H 1 81 PHE H 5.000 4.000 6.000 4.064 3.869 4.372 0.131 4 0 "[ . 1 . ]" 1
737 1 80 ILE HA 1 81 PHE H 2.500 . 3.500 2.379 2.318 2.458 . 0 0 "[ . 1 . ]" 1
738 1 80 ILE HG13 1 81 PHE H 5.000 4.000 6.000 4.999 3.986 5.924 0.014 1 0 "[ . 1 . ]" 1
739 1 80 ILE MG 1 81 PHE H 3.700 2.700 5.700 3.145 2.627 3.668 0.073 6 0 "[ . 1 . ]" 1
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