NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397172 |
1ss2   |
6166 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ss2
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 758
_Distance_constraint_stats_list.Viol_count 968
_Distance_constraint_stats_list.Viol_total 3687.143
_Distance_constraint_stats_list.Viol_max 0.995
_Distance_constraint_stats_list.Viol_rms 0.0528
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.1587
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLU 0.756 0.221 17 0 "[ . 1 . 2 ]"
1 4 PHE 0.756 0.221 17 0 "[ . 1 . 2 ]"
1 5 VAL 0.547 0.172 8 0 "[ . 1 . 2 ]"
1 6 ARG 3.231 0.426 21 0 "[ . 1 . 2 ]"
1 7 ILE 7.964 0.689 17 1 "[ . 1 . + 2 ]"
1 8 CYS 3.557 0.995 21 3 "[ . 1 . 2+* -]"
1 9 SER 1.823 0.112 16 0 "[ . 1 . 2 ]"
1 10 LYS 5.669 0.689 17 1 "[ . 1 . + 2 ]"
1 11 SER 0.446 0.234 12 0 "[ . 1 . 2 ]"
1 12 TYR 1.804 0.596 1 1 "[+ . 1 . 2 ]"
1 13 LEU 3.601 0.396 5 0 "[ . 1 . 2 ]"
1 14 THR 0.040 0.040 7 0 "[ . 1 . 2 ]"
1 15 LEU 4.358 0.719 11 3 "[- . 1+ . * 2 ]"
1 16 GLU 2.861 0.719 11 3 "[- . 1+ . * 2 ]"
1 17 ASN 2.306 0.230 23 0 "[ . 1 . 2 ]"
1 18 GLY 3.036 0.285 6 0 "[ . 1 . 2 ]"
1 19 LYS 4.547 0.285 6 0 "[ . 1 . 2 ]"
1 20 VAL 1.876 0.396 5 0 "[ . 1 . 2 ]"
1 21 PHE 5.121 0.960 19 2 "[ . 1 . -+2 ]"
1 22 LEU 6.634 0.537 11 2 "[ .- 1+ . 2 ]"
1 23 THR 2.460 0.300 6 0 "[ . 1 . 2 ]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 GLY 0.424 0.080 14 0 "[ . 1 . 2 ]"
1 26 ASP 4.166 0.273 15 0 "[ . 1 . 2 ]"
1 27 LEU 9.015 0.786 24 7 "[ -. * *1* . ** +]"
1 28 PRO 0.454 0.229 8 0 "[ . 1 . 2 ]"
1 29 ALA 5.301 0.273 15 0 "[ . 1 . 2 ]"
1 30 LEU 8.533 0.995 21 7 "[** . - 1 . 2+***]"
1 31 ASP 1.162 0.249 18 0 "[ . 1 . 2 ]"
1 32 GLY 2.295 0.937 23 2 "[ - . 1 . 2 + ]"
1 33 ALA 0.697 0.080 14 0 "[ . 1 . 2 ]"
1 34 ARG 0.154 0.076 21 0 "[ . 1 . 2 ]"
1 35 VAL 0.306 0.155 6 0 "[ . 1 . 2 ]"
1 36 GLU 3.886 0.396 5 0 "[ . 1 . 2 ]"
1 37 PHE 1.956 0.392 13 0 "[ . 1 . 2 ]"
1 38 ARG 10.771 0.960 19 2 "[ . 1 . -+2 ]"
1 39 CYS 0.211 0.075 8 0 "[ . 1 . 2 ]"
1 40 ASP 12.818 0.623 21 2 "[ . - . 2+ ]"
1 41 PRO 5.032 0.623 21 2 "[ . - . 2+ ]"
1 42 ASP 6.572 0.330 3 0 "[ . 1 . 2 ]"
1 43 PHE 5.288 0.304 8 0 "[ . 1 . 2 ]"
1 44 HIS 0.149 0.093 23 0 "[ . 1 . 2 ]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 VAL 2.395 0.252 9 0 "[ . 1 . 2 ]"
1 47 GLY 7.413 0.505 12 1 "[ . 1 + . 2 ]"
1 48 SER 9.524 0.839 12 2 "[ . 1 + . 2 - ]"
1 49 SER 2.176 0.247 23 0 "[ . 1 . 2 ]"
1 50 ARG 3.737 0.485 7 0 "[ . 1 . 2 ]"
1 51 SER 5.843 0.476 13 0 "[ . 1 . 2 ]"
1 52 VAL 0.592 0.138 20 0 "[ . 1 . 2 ]"
1 53 CYS 3.268 0.937 23 2 "[ - . 1 . 2 + ]"
1 54 SER 0.935 0.241 17 0 "[ . 1 . 2 ]"
1 55 GLN 6.519 0.311 4 0 "[ . 1 . 2 ]"
1 56 GLY 3.954 0.426 21 0 "[ . 1 . 2 ]"
1 57 GLN 0.541 0.235 4 0 "[ . 1 . 2 ]"
1 58 TRP 1.470 0.235 4 0 "[ . 1 . 2 ]"
1 59 SER 0.285 0.152 15 0 "[ . 1 . 2 ]"
1 60 THR 5.607 0.839 12 1 "[ . 1 + . 2 ]"
1 61 PRO 0.976 0.156 12 0 "[ . 1 . 2 ]"
1 62 LYS 7.711 0.774 2 5 "[-+ . * 1 * . * 2 ]"
1 63 PRO 6.261 0.838 23 6 "[-* . * 1 * . * 2 + ]"
1 64 HIS 4.529 0.505 12 1 "[ . 1 + . 2 ]"
1 65 CYS 1.764 0.230 23 0 "[ . 1 . 2 ]"
1 66 GLN 7.711 0.922 11 5 "[ . *+ .*- *2 ]"
1 67 VAL 14.223 0.922 11 5 "[ . *+ .*- *2 ]"
1 68 ASN 11.524 0.799 19 4 "[ * . 1 - +2 * ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 GLU H 5.000 . 5.000 2.842 2.152 3.561 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 GLU HA 1 4 PHE H 3.300 . 3.300 2.642 2.153 3.521 0.221 17 0 "[ . 1 . 2 ]" 1
3 1 3 GLU HB2 1 4 PHE H 6.000 . 6.000 3.590 1.741 4.646 . 0 0 "[ . 1 . 2 ]" 1
4 1 3 GLU HB3 1 4 PHE H 6.000 . 6.000 3.523 1.598 4.658 . 0 0 "[ . 1 . 2 ]" 1
5 1 4 PHE H 1 5 VAL H 5.000 . 5.000 3.226 2.257 4.084 . 0 0 "[ . 1 . 2 ]" 1
6 1 4 PHE HA 1 5 VAL H 5.000 . 5.000 2.798 2.147 3.555 . 0 0 "[ . 1 . 2 ]" 1
7 1 4 PHE HB2 1 5 VAL H 6.000 . 6.000 3.373 1.543 4.638 . 0 0 "[ . 1 . 2 ]" 1
8 1 4 PHE HB3 1 5 VAL H 6.000 . 6.000 3.497 1.681 4.443 . 0 0 "[ . 1 . 2 ]" 1
9 1 5 VAL H 1 7 ILE MG 5.000 . 5.000 4.446 2.963 5.139 0.139 7 0 "[ . 1 . 2 ]" 1
10 1 5 VAL HA 1 5 VAL QG 3.300 . 3.300 2.218 2.047 2.375 . 0 0 "[ . 1 . 2 ]" 1
11 1 5 VAL HA 1 6 ARG H 2.700 . 2.700 2.282 2.130 2.872 0.172 8 0 "[ . 1 . 2 ]" 1
12 1 5 VAL QG 1 6 ARG H 5.000 . 5.000 2.725 1.992 3.721 . 0 0 "[ . 1 . 2 ]" 1
13 1 5 VAL QG 1 6 ARG HA 6.000 . 6.000 4.024 3.534 4.959 . 0 0 "[ . 1 . 2 ]" 1
14 1 5 VAL MG1 1 6 ARG H 6.000 . 6.000 3.412 2.029 4.083 . 0 0 "[ . 1 . 2 ]" 1
15 1 5 VAL MG2 1 6 ARG H 6.000 . 6.000 3.405 1.998 4.322 . 0 0 "[ . 1 . 2 ]" 1
16 1 6 ARG H 1 6 ARG HG2 5.000 . 5.000 3.343 1.885 5.157 0.157 14 0 "[ . 1 . 2 ]" 1
17 1 6 ARG H 1 6 ARG HG3 5.000 . 5.000 3.450 2.097 4.864 . 0 0 "[ . 1 . 2 ]" 1
18 1 6 ARG H 1 7 ILE H 5.000 . 5.000 3.809 2.827 4.622 . 0 0 "[ . 1 . 2 ]" 1
19 1 6 ARG HA 1 7 ILE H 2.700 . 2.700 2.424 2.132 2.730 0.030 11 0 "[ . 1 . 2 ]" 1
20 1 6 ARG HA 1 56 GLY HA2 5.000 . 5.000 4.138 3.440 4.624 . 0 0 "[ . 1 . 2 ]" 1
21 1 6 ARG HA 1 56 GLY HA3 5.000 . 5.000 4.805 4.103 5.112 0.112 16 0 "[ . 1 . 2 ]" 1
22 1 6 ARG HA 1 7 ILE HG12 6.000 . 6.000 4.468 3.621 5.757 . 0 0 "[ . 1 . 2 ]" 1
23 1 6 ARG HA 1 7 ILE HG13 6.000 . 6.000 5.070 3.609 6.087 0.087 3 0 "[ . 1 . 2 ]" 1
24 1 6 ARG HB2 1 7 ILE H 6.000 . 6.000 4.170 2.967 4.653 . 0 0 "[ . 1 . 2 ]" 1
25 1 6 ARG HB2 1 56 GLY HA2 5.000 . 5.000 4.557 2.907 5.389 0.389 13 0 "[ . 1 . 2 ]" 1
26 1 6 ARG HB2 1 56 GLY HA3 5.000 . 5.000 4.162 2.260 5.426 0.426 21 0 "[ . 1 . 2 ]" 1
27 1 6 ARG HB2 1 55 GLN HA 6.000 . 6.000 4.039 2.259 5.045 . 0 0 "[ . 1 . 2 ]" 1
28 1 6 ARG HB3 1 56 GLY HA2 6.000 . 6.000 3.658 2.665 5.272 . 0 0 "[ . 1 . 2 ]" 1
29 1 6 ARG HB3 1 56 GLY HA3 5.000 . 5.000 3.210 1.797 4.266 . 0 0 "[ . 1 . 2 ]" 1
30 1 6 ARG HB3 1 7 ILE H 6.000 . 6.000 4.183 3.081 4.664 . 0 0 "[ . 1 . 2 ]" 1
31 1 6 ARG HB3 1 55 GLN HA 6.000 . 6.000 4.010 2.778 5.600 . 0 0 "[ . 1 . 2 ]" 1
32 1 7 ILE H 1 7 ILE HA 2.700 . 2.700 2.820 2.747 2.917 0.217 13 0 "[ . 1 . 2 ]" 1
33 1 7 ILE H 1 7 ILE HG12 5.000 . 5.000 2.636 1.852 3.512 . 0 0 "[ . 1 . 2 ]" 1
34 1 7 ILE H 1 7 ILE HG13 5.000 . 5.000 3.160 1.739 4.128 . 0 0 "[ . 1 . 2 ]" 1
35 1 7 ILE HA 1 8 CYS H 2.700 . 2.700 2.295 2.177 2.799 0.099 20 0 "[ . 1 . 2 ]" 1
36 1 7 ILE HA 1 58 TRP HD1 6.000 . 6.000 5.412 4.813 5.999 . 0 0 "[ . 1 . 2 ]" 1
37 1 7 ILE HB 1 8 CYS H 5.000 . 5.000 3.054 2.482 4.413 . 0 0 "[ . 1 . 2 ]" 1
38 1 7 ILE MD 1 28 PRO HA 5.000 . 5.000 3.801 2.664 4.642 . 0 0 "[ . 1 . 2 ]" 1
39 1 7 ILE HG13 1 10 LYS QB 6.000 . 6.000 5.222 4.197 6.689 0.689 17 1 "[ . 1 . + 2 ]" 1
40 1 7 ILE MG 1 8 CYS H 5.000 . 5.000 3.870 3.469 4.394 . 0 0 "[ . 1 . 2 ]" 1
41 1 7 ILE MG 1 58 TRP HH2 5.000 . 5.000 2.690 1.729 4.008 . 0 0 "[ . 1 . 2 ]" 1
42 1 7 ILE MG 1 29 ALA H 5.000 . 5.000 4.886 4.075 5.103 0.103 21 0 "[ . 1 . 2 ]" 1
43 1 8 CYS H 1 8 CYS QB . . 3.300 2.602 2.371 3.325 0.025 10 0 "[ . 1 . 2 ]" 1
44 1 8 CYS H 1 56 GLY HA2 5.000 . 5.000 3.780 2.209 5.046 0.046 7 0 "[ . 1 . 2 ]" 1
45 1 8 CYS HA 1 9 SER H 2.700 . 2.700 2.208 2.147 2.339 . 0 0 "[ . 1 . 2 ]" 1
46 1 8 CYS HA 1 56 GLY HA2 5.000 . 5.000 2.948 2.055 3.972 . 0 0 "[ . 1 . 2 ]" 1
47 1 8 CYS QB 1 9 SER H 5.000 . 5.000 2.919 2.523 3.193 . 0 0 "[ . 1 . 2 ]" 1
48 1 8 CYS QB 1 58 TRP HE1 3.300 . 3.300 2.425 1.910 3.000 . 0 0 "[ . 1 . 2 ]" 1
49 1 8 CYS QB 1 30 LEU MD1 5.000 . 5.000 3.894 2.045 5.995 0.995 21 3 "[ . 1 . 2+* -]" 1
50 1 8 CYS QB 1 54 SER H 6.000 . 6.000 4.001 2.482 4.819 . 0 0 "[ . 1 . 2 ]" 1
51 1 8 CYS QB 1 54 SER HB2 6.000 . 6.000 4.924 3.581 5.685 . 0 0 "[ . 1 . 2 ]" 1
52 1 8 CYS QB 1 54 SER HB3 6.000 . 6.000 4.674 3.392 5.819 . 0 0 "[ . 1 . 2 ]" 1
53 1 8 CYS QB 1 58 TRP HE1 5.000 . 5.000 2.494 1.912 3.375 . 0 0 "[ . 1 . 2 ]" 1
54 1 8 CYS QB 1 58 TRP HZ2 5.000 . 5.000 2.806 2.223 3.440 . 0 0 "[ . 1 . 2 ]" 1
55 1 9 SER H 1 9 SER HA 2.700 . 2.700 2.732 2.719 2.736 0.036 10 0 "[ . 1 . 2 ]" 1
56 1 9 SER H 1 9 SER QB 3.300 . 3.300 2.409 2.251 2.559 . 0 0 "[ . 1 . 2 ]" 1
57 1 9 SER H 1 59 SER H 6.000 . 6.000 4.108 3.073 4.419 . 0 0 "[ . 1 . 2 ]" 1
58 1 9 SER H 1 58 TRP HD1 5.000 . 5.000 3.514 2.927 4.317 . 0 0 "[ . 1 . 2 ]" 1
59 1 9 SER H 1 58 TRP HE1 5.000 . 5.000 2.741 2.192 4.286 . 0 0 "[ . 1 . 2 ]" 1
60 1 9 SER HA 1 9 SER QB 2.700 . 2.700 2.345 2.189 2.379 . 0 0 "[ . 1 . 2 ]" 1
61 1 9 SER HA 1 10 LYS H 2.700 . 2.700 2.145 2.126 2.161 . 0 0 "[ . 1 . 2 ]" 1
62 1 9 SER QB 1 11 SER H 6.000 . 6.000 3.089 2.426 5.142 . 0 0 "[ . 1 . 2 ]" 1
63 1 9 SER QB 1 58 TRP HD1 5.000 . 5.000 3.004 2.070 3.403 . 0 0 "[ . 1 . 2 ]" 1
64 1 9 SER QB 1 12 TYR H 6.000 . 6.000 3.779 3.026 5.237 . 0 0 "[ . 1 . 2 ]" 1
65 1 9 SER QB 1 12 TYR QE 6.000 . 6.000 3.116 2.504 3.869 . 0 0 "[ . 1 . 2 ]" 1
66 1 9 SER QB 1 58 TRP HD1 3.300 . 3.300 3.016 2.070 3.409 0.109 1 0 "[ . 1 . 2 ]" 1
67 1 9 SER QB 1 58 TRP HE1 5.000 . 5.000 2.648 1.538 4.031 . 0 0 "[ . 1 . 2 ]" 1
68 1 10 LYS H 1 10 LYS QB . . 3.300 2.534 2.245 2.791 . 0 0 "[ . 1 . 2 ]" 1
69 1 10 LYS HA 1 13 LEU H 5.000 . 5.000 3.297 3.124 3.866 . 0 0 "[ . 1 . 2 ]" 1
70 1 10 LYS HA 1 58 TRP HB2 6.000 . 6.000 4.412 4.151 4.649 . 0 0 "[ . 1 . 2 ]" 1
71 1 10 LYS HA 1 12 TYR H 5.000 . 5.000 3.895 3.407 4.270 . 0 0 "[ . 1 . 2 ]" 1
72 1 10 LYS HA 1 13 LEU H 5.000 . 5.000 3.575 3.253 5.025 0.025 10 0 "[ . 1 . 2 ]" 1
73 1 10 LYS HA 1 13 LEU HB2 6.000 . 6.000 4.132 3.205 6.079 0.079 13 0 "[ . 1 . 2 ]" 1
74 1 10 LYS HA 1 13 LEU HB3 6.000 . 6.000 5.212 4.456 6.052 0.052 12 0 "[ . 1 . 2 ]" 1
75 1 10 LYS HA 1 13 LEU QD 5.000 . 5.000 2.546 1.649 3.487 . 0 0 "[ . 1 . 2 ]" 1
76 1 10 LYS HA 1 13 LEU HG 5.000 . 5.000 3.047 2.138 4.981 . 0 0 "[ . 1 . 2 ]" 1
77 1 10 LYS QB 1 11 SER H 6.000 . 6.000 3.648 2.893 4.050 . 0 0 "[ . 1 . 2 ]" 1
78 1 10 LYS QB 1 13 LEU QD 5.000 . 5.000 2.547 1.548 3.775 . 0 0 "[ . 1 . 2 ]" 1
79 1 10 LYS HD2 1 10 LYS HG2 2.700 . 2.700 2.580 2.445 3.016 0.316 19 0 "[ . 1 . 2 ]" 1
80 1 10 LYS HD2 1 10 LYS HG3 2.700 . 2.700 2.649 2.393 3.019 0.319 2 0 "[ . 1 . 2 ]" 1
81 1 10 LYS QE 1 13 LEU QD 6.000 . 6.000 4.076 2.508 5.743 . 0 0 "[ . 1 . 2 ]" 1
82 1 11 SER H 1 11 SER QB 2.700 . 2.700 2.439 2.260 2.934 0.234 12 0 "[ . 1 . 2 ]" 1
83 1 11 SER H 1 12 TYR H 3.300 . 3.300 2.675 1.923 3.324 0.024 13 0 "[ . 1 . 2 ]" 1
84 1 11 SER H 1 12 TYR QB 6.000 . 6.000 4.582 3.688 4.863 . 0 0 "[ . 1 . 2 ]" 1
85 1 11 SER H 1 12 TYR QD 6.000 . 6.000 3.458 3.058 3.956 . 0 0 "[ . 1 . 2 ]" 1
86 1 11 SER HA 1 11 SER QB 2.700 . 2.700 2.303 2.188 2.409 . 0 0 "[ . 1 . 2 ]" 1
87 1 11 SER HA 1 12 TYR H 5.000 . 5.000 3.502 2.847 3.563 . 0 0 "[ . 1 . 2 ]" 1
88 1 11 SER QB 1 12 TYR H 6.000 . 6.000 2.901 2.457 3.868 . 0 0 "[ . 1 . 2 ]" 1
89 1 12 TYR H 1 12 TYR QB . . 3.300 2.403 2.351 2.498 . 0 0 "[ . 1 . 2 ]" 1
90 1 12 TYR H 1 12 TYR QD 3.300 . 3.300 1.710 1.456 3.007 . 0 0 "[ . 1 . 2 ]" 1
91 1 12 TYR H 1 13 LEU H 5.000 . 5.000 2.735 2.044 3.385 . 0 0 "[ . 1 . 2 ]" 1
92 1 12 TYR H 1 13 LEU QD 6.000 . 6.000 4.169 2.887 4.806 . 0 0 "[ . 1 . 2 ]" 1
93 1 12 TYR H 1 13 LEU HG 6.000 . 6.000 4.490 2.982 5.972 . 0 0 "[ . 1 . 2 ]" 1
94 1 12 TYR HA 1 12 TYR QE 6.000 . 6.000 4.625 4.462 4.711 . 0 0 "[ . 1 . 2 ]" 1
95 1 12 TYR HA 1 13 LEU H 5.000 . 5.000 3.481 2.712 3.556 . 0 0 "[ . 1 . 2 ]" 1
96 1 12 TYR HA 1 37 PHE HZ 5.000 . 5.000 3.870 2.810 4.922 . 0 0 "[ . 1 . 2 ]" 1
97 1 12 TYR HA 1 62 LYS HB2 6.000 . 6.000 4.511 3.103 6.046 0.046 1 0 "[ . 1 . 2 ]" 1
98 1 12 TYR HA 1 62 LYS HD2 5.000 . 5.000 2.744 1.399 4.550 . 0 0 "[ . 1 . 2 ]" 1
99 1 12 TYR HA 1 62 LYS HD3 5.000 . 5.000 3.584 1.466 4.992 . 0 0 "[ . 1 . 2 ]" 1
100 1 12 TYR HA 1 62 LYS HE2 5.000 . 5.000 3.993 2.009 5.016 0.016 11 0 "[ . 1 . 2 ]" 1
101 1 12 TYR HA 1 62 LYS HE3 5.000 . 5.000 3.332 1.662 4.752 . 0 0 "[ . 1 . 2 ]" 1
102 1 12 TYR HA 1 62 LYS HG2 6.000 . 6.000 4.120 2.816 5.487 . 0 0 "[ . 1 . 2 ]" 1
103 1 12 TYR HA 1 62 LYS HG3 5.000 . 5.000 3.477 2.724 4.181 . 0 0 "[ . 1 . 2 ]" 1
104 1 12 TYR QB 1 13 LEU H . . 5.000 2.770 2.549 3.897 . 0 0 "[ . 1 . 2 ]" 1
105 1 12 TYR QB 1 13 LEU QD . . 5.000 3.375 2.271 4.037 . 0 0 "[ . 1 . 2 ]" 1
106 1 12 TYR QB 1 35 VAL QG . . 5.000 3.267 2.849 3.667 . 0 0 "[ . 1 . 2 ]" 1
107 1 12 TYR QB 1 37 PHE HZ 5.000 . 5.000 2.072 1.507 3.010 . 0 0 "[ . 1 . 2 ]" 1
108 1 12 TYR QB 1 58 TRP HZ2 6.000 . 6.000 3.675 3.090 4.854 . 0 0 "[ . 1 . 2 ]" 1
109 1 12 TYR QB 1 58 TRP HE1 5.000 . 5.000 3.771 3.129 4.433 . 0 0 "[ . 1 . 2 ]" 1
110 1 12 TYR QB 1 62 LYS HG3 . . 5.000 4.391 3.185 5.596 0.596 1 1 "[+ . 1 . 2 ]" 1
111 1 12 TYR QD 1 37 PHE HZ 5.000 . 5.000 1.887 1.457 2.874 . 0 0 "[ . 1 . 2 ]" 1
112 1 12 TYR QD 1 51 SER HB2 6.000 . 6.000 3.887 3.400 4.345 . 0 0 "[ . 1 . 2 ]" 1
113 1 12 TYR QD 1 51 SER HB3 6.000 . 6.000 3.864 3.382 4.578 . 0 0 "[ . 1 . 2 ]" 1
114 1 12 TYR QD 1 62 LYS HG3 6.000 . 6.000 4.000 2.718 4.687 . 0 0 "[ . 1 . 2 ]" 1
115 1 12 TYR QE 1 51 SER HA 6.000 . 6.000 5.873 5.339 6.046 0.046 17 0 "[ . 1 . 2 ]" 1
116 1 12 TYR QE 1 51 SER HB2 5.000 . 5.000 4.439 3.777 5.028 0.028 7 0 "[ . 1 . 2 ]" 1
117 1 12 TYR QE 1 51 SER HB3 5.000 . 5.000 4.211 3.576 4.991 . 0 0 "[ . 1 . 2 ]" 1
118 1 12 TYR QE 1 58 TRP HB2 5.000 . 5.000 2.724 2.305 3.227 . 0 0 "[ . 1 . 2 ]" 1
119 1 12 TYR QE 1 58 TRP HB3 5.000 . 5.000 3.430 3.051 3.933 . 0 0 "[ . 1 . 2 ]" 1
120 1 12 TYR QE 1 60 THR H 5.000 . 5.000 4.553 3.895 5.005 0.005 10 0 "[ . 1 . 2 ]" 1
121 1 12 TYR QE 1 62 LYS H 5.000 . 5.000 3.263 2.424 4.148 . 0 0 "[ . 1 . 2 ]" 1
122 1 12 TYR QE 1 62 LYS HA 6.000 . 6.000 3.956 3.244 4.745 . 0 0 "[ . 1 . 2 ]" 1
123 1 12 TYR QE 1 62 LYS HB2 5.000 . 5.000 4.444 3.191 5.123 0.123 17 0 "[ . 1 . 2 ]" 1
124 1 12 TYR QE 1 62 LYS HB3 6.000 . 6.000 5.258 4.109 6.035 0.035 1 0 "[ . 1 . 2 ]" 1
125 1 12 TYR QE 1 62 LYS HG3 6.000 . 6.000 4.528 3.131 5.592 . 0 0 "[ . 1 . 2 ]" 1
126 1 13 LEU H 1 13 LEU QB 2.700 . 2.700 2.520 2.404 2.774 0.074 23 0 "[ . 1 . 2 ]" 1
127 1 13 LEU H 1 13 LEU QD 5.000 . 5.000 2.652 1.520 3.558 . 0 0 "[ . 1 . 2 ]" 1
128 1 13 LEU H 1 13 LEU HG 3.300 . 3.300 2.438 1.824 3.623 0.323 20 0 "[ . 1 . 2 ]" 1
129 1 13 LEU HA 1 13 LEU QD . . 3.300 2.243 1.760 3.296 . 0 0 "[ . 1 . 2 ]" 1
130 1 13 LEU HA 1 20 VAL HB 5.000 . 5.000 3.141 2.277 4.629 . 0 0 "[ . 1 . 2 ]" 1
131 1 13 LEU HA 1 20 VAL QG . . 3.300 2.351 1.649 2.733 . 0 0 "[ . 1 . 2 ]" 1
132 1 13 LEU HA 1 35 VAL QG 6.000 . 6.000 4.147 3.352 4.915 . 0 0 "[ . 1 . 2 ]" 1
133 1 13 LEU QB 1 14 THR H 5.000 . 5.000 2.857 2.379 3.850 . 0 0 "[ . 1 . 2 ]" 1
134 1 13 LEU HB2 1 13 LEU HG 2.700 . 2.700 2.591 2.405 3.019 0.319 16 0 "[ . 1 . 2 ]" 1
135 1 13 LEU HB2 1 14 THR MG 6.000 . 6.000 4.094 2.880 5.632 . 0 0 "[ . 1 . 2 ]" 1
136 1 13 LEU HB3 1 14 THR MG 6.000 . 6.000 4.660 3.475 5.985 . 0 0 "[ . 1 . 2 ]" 1
137 1 13 LEU HB3 1 20 VAL HB 5.000 . 5.000 4.455 3.549 5.396 0.396 5 0 "[ . 1 . 2 ]" 1
138 1 13 LEU QD 1 14 THR H 6.000 . 6.000 3.559 1.379 3.964 . 0 0 "[ . 1 . 2 ]" 1
139 1 13 LEU QD 1 20 VAL HB 5.000 . 5.000 4.018 3.311 4.956 . 0 0 "[ . 1 . 2 ]" 1
140 1 13 LEU QD 1 58 TRP HZ3 6.000 . 6.000 3.568 2.950 4.218 . 0 0 "[ . 1 . 2 ]" 1
141 1 14 THR H 1 15 LEU H 6.000 . 6.000 4.278 2.848 4.559 . 0 0 "[ . 1 . 2 ]" 1
142 1 14 THR H 1 20 VAL QG 5.000 . 5.000 3.706 2.037 4.427 . 0 0 "[ . 1 . 2 ]" 1
143 1 14 THR H 1 62 LYS HE3 6.000 . 6.000 5.130 3.228 6.040 0.040 7 0 "[ . 1 . 2 ]" 1
144 1 14 THR HA 1 14 THR MG 3.300 . 3.300 2.492 2.241 3.208 . 0 0 "[ . 1 . 2 ]" 1
145 1 14 THR HA 1 15 LEU H 2.700 . 2.700 2.216 2.145 2.569 . 0 0 "[ . 1 . 2 ]" 1
146 1 14 THR HA 1 15 LEU HB3 6.000 . 6.000 4.555 4.377 4.981 . 0 0 "[ . 1 . 2 ]" 1
147 1 14 THR HA 1 20 VAL QG 5.000 . 5.000 3.636 2.425 4.455 . 0 0 "[ . 1 . 2 ]" 1
148 1 14 THR HB 1 15 LEU H 5.000 . 5.000 3.809 3.031 4.366 . 0 0 "[ . 1 . 2 ]" 1
149 1 14 THR MG 1 15 LEU H 5.000 . 5.000 3.359 1.942 4.345 . 0 0 "[ . 1 . 2 ]" 1
150 1 14 THR MG 1 16 GLU HA 6.000 . 6.000 4.219 3.830 4.921 . 0 0 "[ . 1 . 2 ]" 1
151 1 15 LEU H 1 15 LEU HB3 3.300 . 3.300 2.781 2.426 2.902 . 0 0 "[ . 1 . 2 ]" 1
152 1 15 LEU H 1 15 LEU HG 5.000 . 5.000 4.544 4.400 4.780 . 0 0 "[ . 1 . 2 ]" 1
153 1 15 LEU H 1 20 VAL QG 5.000 . 5.000 3.493 2.712 4.408 . 0 0 "[ . 1 . 2 ]" 1
154 1 15 LEU HA 1 15 LEU QD . . 3.300 2.149 1.743 2.977 . 0 0 "[ . 1 . 2 ]" 1
155 1 15 LEU HA 1 16 GLU H 2.700 . 2.700 2.159 2.141 2.200 . 0 0 "[ . 1 . 2 ]" 1
156 1 15 LEU HA 1 16 GLU HA 6.000 . 6.000 4.358 4.338 4.385 . 0 0 "[ . 1 . 2 ]" 1
157 1 15 LEU HA 1 16 GLU HB2 6.000 . 6.000 5.065 4.341 5.711 . 0 0 "[ . 1 . 2 ]" 1
158 1 15 LEU HA 1 16 GLU HB3 5.000 . 5.000 4.737 4.467 5.719 0.719 11 3 "[- . 1+ . * 2 ]" 1
159 1 15 LEU HA 1 20 VAL QG 6.000 . 6.000 4.407 3.717 5.182 . 0 0 "[ . 1 . 2 ]" 1
160 1 15 LEU HA 1 62 LYS HE2 5.000 . 5.000 3.777 2.193 5.002 0.002 3 0 "[ . 1 . 2 ]" 1
161 1 15 LEU HA 1 62 LYS HE3 5.000 . 5.000 3.453 2.206 5.029 0.029 1 0 "[ . 1 . 2 ]" 1
162 1 15 LEU HB2 1 16 GLU H 6.000 . 6.000 4.203 4.071 4.361 . 0 0 "[ . 1 . 2 ]" 1
163 1 15 LEU HB2 1 18 GLY H 6.000 . 6.000 5.763 4.345 6.087 0.087 5 0 "[ . 1 . 2 ]" 1
164 1 15 LEU HB2 1 19 LYS H 6.000 . 6.000 5.866 5.112 6.140 0.140 3 0 "[ . 1 . 2 ]" 1
165 1 15 LEU HB2 1 37 PHE QD 5.000 . 5.000 3.871 2.884 4.461 . 0 0 "[ . 1 . 2 ]" 1
166 1 15 LEU HB2 1 37 PHE QE 6.000 . 6.000 4.084 3.119 4.706 . 0 0 "[ . 1 . 2 ]" 1
167 1 15 LEU HB3 1 16 GLU H 6.000 . 6.000 4.177 4.079 4.308 . 0 0 "[ . 1 . 2 ]" 1
168 1 15 LEU HB3 1 18 GLY H 5.000 . 5.000 4.188 2.714 4.577 . 0 0 "[ . 1 . 2 ]" 1
169 1 15 LEU HB3 1 18 GLY HA3 5.000 . 5.000 3.627 2.905 4.499 . 0 0 "[ . 1 . 2 ]" 1
170 1 15 LEU HB3 1 19 LYS H 6.000 . 6.000 4.408 3.676 4.668 . 0 0 "[ . 1 . 2 ]" 1
171 1 15 LEU HB3 1 20 VAL QG 5.000 . 5.000 2.748 2.181 3.352 . 0 0 "[ . 1 . 2 ]" 1
172 1 15 LEU HB3 1 20 VAL QG 5.000 . 5.000 2.806 2.249 3.501 . 0 0 "[ . 1 . 2 ]" 1
173 1 15 LEU HB3 1 37 PHE QD 5.000 . 5.000 4.731 3.432 5.047 0.047 14 0 "[ . 1 . 2 ]" 1
174 1 15 LEU QD 1 16 GLU H 5.000 . 5.000 2.189 1.698 2.834 . 0 0 "[ . 1 . 2 ]" 1
175 1 15 LEU QD 1 18 GLY H 6.000 . 6.000 3.949 2.760 4.529 . 0 0 "[ . 1 . 2 ]" 1
176 1 15 LEU QD 1 18 GLY HA2 5.000 . 5.000 4.022 3.106 4.819 . 0 0 "[ . 1 . 2 ]" 1
177 1 15 LEU QD 1 18 GLY HA3 5.000 . 5.000 2.669 1.819 3.723 . 0 0 "[ . 1 . 2 ]" 1
178 1 15 LEU QD 1 19 LYS H 5.000 . 5.000 3.812 3.190 4.456 . 0 0 "[ . 1 . 2 ]" 1
179 1 15 LEU QD 1 37 PHE HA 5.000 . 5.000 2.659 1.760 3.097 . 0 0 "[ . 1 . 2 ]" 1
180 1 15 LEU QD 1 37 PHE QD 3.300 . 3.300 2.132 1.706 2.482 . 0 0 "[ . 1 . 2 ]" 1
181 1 15 LEU QD 1 37 PHE QE 5.000 . 5.000 2.807 2.442 3.203 . 0 0 "[ . 1 . 2 ]" 1
182 1 15 LEU QD 1 63 PRO HD2 6.000 . 6.000 3.038 2.571 3.599 . 0 0 "[ . 1 . 2 ]" 1
183 1 15 LEU QD 1 37 PHE HZ 6.000 . 6.000 2.984 2.285 3.495 . 0 0 "[ . 1 . 2 ]" 1
184 1 15 LEU QD 1 37 PHE HB2 5.000 . 5.000 4.402 3.518 4.926 . 0 0 "[ . 1 . 2 ]" 1
185 1 15 LEU QD 1 37 PHE HB3 5.000 . 5.000 3.082 2.259 3.657 . 0 0 "[ . 1 . 2 ]" 1
186 1 15 LEU QD 1 37 PHE QD 3.300 . 3.300 2.270 1.717 2.719 . 0 0 "[ . 1 . 2 ]" 1
187 1 15 LEU QD 1 37 PHE QE 5.000 . 5.000 3.414 2.695 4.041 . 0 0 "[ . 1 . 2 ]" 1
188 1 15 LEU QD 1 38 ARG H 5.000 . 5.000 3.584 2.858 4.937 . 0 0 "[ . 1 . 2 ]" 1
189 1 15 LEU QD 1 39 CYS HA 5.000 . 5.000 3.597 3.098 4.128 . 0 0 "[ . 1 . 2 ]" 1
190 1 15 LEU QD 1 62 LYS HE2 . . 3.300 2.298 1.468 3.390 0.090 3 0 "[ . 1 . 2 ]" 1
191 1 15 LEU QD 1 62 LYS HE3 5.000 . 5.000 2.807 2.253 3.822 . 0 0 "[ . 1 . 2 ]" 1
192 1 15 LEU QD 1 63 PRO HG2 5.000 . 5.000 3.486 2.786 4.528 . 0 0 "[ . 1 . 2 ]" 1
193 1 15 LEU QD 1 64 HIS HA 5.000 . 5.000 3.920 3.204 4.618 . 0 0 "[ . 1 . 2 ]" 1
194 1 15 LEU QD 1 64 HIS QB 6.000 . 6.000 4.972 4.270 5.631 . 0 0 "[ . 1 . 2 ]" 1
195 1 15 LEU QD 1 65 CYS H 5.000 . 5.000 4.124 3.306 4.759 . 0 0 "[ . 1 . 2 ]" 1
196 1 15 LEU HG 1 16 GLU H 5.000 . 5.000 3.209 2.923 3.486 . 0 0 "[ . 1 . 2 ]" 1
197 1 15 LEU HG 1 65 CYS H 6.000 . 6.000 5.406 4.736 6.230 0.230 23 0 "[ . 1 . 2 ]" 1
198 1 15 LEU HG 1 18 GLY H 6.000 . 6.000 4.040 2.659 5.884 . 0 0 "[ . 1 . 2 ]" 1
199 1 15 LEU HG 1 18 GLY HA3 5.000 . 5.000 3.374 2.205 4.902 . 0 0 "[ . 1 . 2 ]" 1
200 1 15 LEU HG 1 19 LYS H 6.000 . 6.000 5.321 4.659 6.092 0.092 24 0 "[ . 1 . 2 ]" 1
201 1 15 LEU HG 1 63 PRO HG2 6.000 . 6.000 3.301 2.621 4.542 . 0 0 "[ . 1 . 2 ]" 1
202 1 16 GLU H 1 16 GLU QG 5.000 . 5.000 3.024 1.900 3.976 . 0 0 "[ . 1 . 2 ]" 1
203 1 16 GLU H 1 17 ASN H 5.000 . 5.000 4.394 3.097 4.594 . 0 0 "[ . 1 . 2 ]" 1
204 1 16 GLU HA 1 17 ASN H 2.700 . 2.700 2.251 2.145 2.796 0.096 15 0 "[ . 1 . 2 ]" 1
205 1 16 GLU HA 1 17 ASN HA 5.000 . 5.000 4.374 4.324 4.410 . 0 0 "[ . 1 . 2 ]" 1
206 1 16 GLU HA 1 18 GLY H 5.000 . 5.000 3.732 3.473 4.329 . 0 0 "[ . 1 . 2 ]" 1
207 1 16 GLU QB 1 17 ASN H 5.000 . 5.000 3.450 2.801 4.044 . 0 0 "[ . 1 . 2 ]" 1
208 1 16 GLU QB 1 17 ASN HD21 6.000 . 6.000 4.097 2.990 6.088 0.088 10 0 "[ . 1 . 2 ]" 1
209 1 16 GLU QB 1 17 ASN HD22 6.000 . 6.000 4.321 3.273 5.717 . 0 0 "[ . 1 . 2 ]" 1
210 1 16 GLU HB2 1 17 ASN H 6.000 . 6.000 3.877 3.079 4.448 . 0 0 "[ . 1 . 2 ]" 1
211 1 16 GLU HB3 1 17 ASN H 6.000 . 6.000 4.067 2.859 4.646 . 0 0 "[ . 1 . 2 ]" 1
212 1 16 GLU HB3 1 19 LYS H 6.000 . 6.000 4.831 3.173 5.714 . 0 0 "[ . 1 . 2 ]" 1
213 1 16 GLU QG 1 17 ASN H 5.000 . 5.000 3.462 2.439 4.381 . 0 0 "[ . 1 . 2 ]" 1
214 1 16 GLU QG 1 17 ASN HA 6.000 . 6.000 4.689 3.818 6.219 0.219 1 0 "[ . 1 . 2 ]" 1
215 1 16 GLU QG 1 17 ASN HD21 5.000 . 5.000 3.433 2.134 5.115 0.115 16 0 "[ . 1 . 2 ]" 1
216 1 16 GLU QG 1 17 ASN HD22 5.000 . 5.000 3.659 2.376 5.051 0.051 17 0 "[ . 1 . 2 ]" 1
217 1 17 ASN H 1 17 ASN HA 2.700 . 2.700 2.348 2.257 2.877 0.177 15 0 "[ . 1 . 2 ]" 1
218 1 17 ASN H 1 18 GLY H 3.300 . 3.300 2.622 1.697 2.800 . 0 0 "[ . 1 . 2 ]" 1
219 1 17 ASN HA 1 18 GLY H 5.000 . 5.000 2.845 2.701 3.487 . 0 0 "[ . 1 . 2 ]" 1
220 1 17 ASN HB2 1 17 ASN HD21 3.300 . 3.300 2.742 2.112 3.333 0.033 15 0 "[ . 1 . 2 ]" 1
221 1 17 ASN HB2 1 43 PHE QE 6.000 . 6.000 5.338 4.385 6.084 0.084 12 0 "[ . 1 . 2 ]" 1
222 1 17 ASN HB2 1 65 CYS HB2 5.000 . 5.000 3.951 3.184 4.585 . 0 0 "[ . 1 . 2 ]" 1
223 1 17 ASN HB2 1 65 CYS HB3 5.000 . 5.000 4.573 3.590 5.042 0.042 1 0 "[ . 1 . 2 ]" 1
224 1 17 ASN HB3 1 18 GLY H 5.000 . 5.000 4.431 3.844 4.505 . 0 0 "[ . 1 . 2 ]" 1
225 1 17 ASN HB3 1 43 PHE QE 6.000 . 6.000 4.500 3.596 5.089 . 0 0 "[ . 1 . 2 ]" 1
226 1 17 ASN HB3 1 65 CYS HB2 5.000 . 5.000 4.540 2.973 5.079 0.079 8 0 "[ . 1 . 2 ]" 1
227 1 17 ASN HB3 1 65 CYS HB3 5.000 . 5.000 4.683 3.955 5.087 0.087 14 0 "[ . 1 . 2 ]" 1
228 1 18 GLY H 1 39 CYS HA 6.000 . 6.000 4.759 3.903 5.193 . 0 0 "[ . 1 . 2 ]" 1
229 1 18 GLY HA2 1 19 LYS H 2.700 . 2.700 2.495 2.175 2.985 0.285 6 0 "[ . 1 . 2 ]" 1
230 1 18 GLY HA2 1 39 CYS HA 3.300 . 3.300 2.504 1.854 3.326 0.026 15 0 "[ . 1 . 2 ]" 1
231 1 18 GLY HA2 1 40 ASP H 3.300 . 3.300 2.255 1.647 2.813 . 0 0 "[ . 1 . 2 ]" 1
232 1 18 GLY HA3 1 19 LYS H 2.700 . 2.700 2.618 2.150 2.930 0.230 18 0 "[ . 1 . 2 ]" 1
233 1 18 GLY HA3 1 39 CYS HA 3.300 . 3.300 2.457 1.692 2.949 . 0 0 "[ . 1 . 2 ]" 1
234 1 18 GLY HA3 1 40 ASP H 5.000 . 5.000 3.243 2.579 3.694 . 0 0 "[ . 1 . 2 ]" 1
235 1 19 LYS H 1 19 LYS QB 3.300 . 3.300 2.751 2.393 3.130 . 0 0 "[ . 1 . 2 ]" 1
236 1 19 LYS H 1 19 LYS QD 5.000 . 5.000 4.296 4.013 4.605 . 0 0 "[ . 1 . 2 ]" 1
237 1 19 LYS H 1 19 LYS HG2 5.000 . 5.000 3.511 1.908 5.015 0.015 2 0 "[ . 1 . 2 ]" 1
238 1 19 LYS H 1 19 LYS HG3 5.000 . 5.000 3.379 2.731 4.480 . 0 0 "[ . 1 . 2 ]" 1
239 1 19 LYS H 1 20 VAL QG 6.000 . 6.000 4.308 3.699 4.622 . 0 0 "[ . 1 . 2 ]" 1
240 1 19 LYS H 1 37 PHE HA 5.000 . 5.000 3.271 2.747 3.646 . 0 0 "[ . 1 . 2 ]" 1
241 1 19 LYS H 1 38 ARG H 5.000 . 5.000 3.824 2.998 4.973 . 0 0 "[ . 1 . 2 ]" 1
242 1 19 LYS H 1 39 CYS HA 2.700 . 2.700 2.156 2.106 2.234 . 0 0 "[ . 1 . 2 ]" 1
243 1 19 LYS QB 1 19 LYS HG2 2.700 . 2.700 2.325 2.162 2.377 . 0 0 "[ . 1 . 2 ]" 1
244 1 19 LYS QB 1 19 LYS HG3 2.700 . 2.700 2.317 2.160 2.364 . 0 0 "[ . 1 . 2 ]" 1
245 1 19 LYS QB 1 20 VAL H 3.300 . 3.300 2.912 2.556 3.444 0.144 2 0 "[ . 1 . 2 ]" 1
246 1 19 LYS QB 1 21 PHE QE 5.000 . 5.000 2.790 1.797 3.952 . 0 0 "[ . 1 . 2 ]" 1
247 1 19 LYS QB 1 21 PHE HZ 6.000 . 6.000 4.342 3.468 5.409 . 0 0 "[ . 1 . 2 ]" 1
248 1 19 LYS QD 1 21 PHE QE 6.000 . 6.000 3.650 1.883 5.268 . 0 0 "[ . 1 . 2 ]" 1
249 1 19 LYS QD 1 21 PHE HZ 6.000 . 6.000 3.682 2.546 5.420 . 0 0 "[ . 1 . 2 ]" 1
250 1 20 VAL H 1 20 VAL HB 2.700 . 2.700 2.626 2.501 3.027 0.327 4 0 "[ . 1 . 2 ]" 1
251 1 20 VAL H 1 20 VAL QG 3.300 . 3.300 2.636 2.229 3.132 . 0 0 "[ . 1 . 2 ]" 1
252 1 20 VAL HA 1 21 PHE H 2.700 . 2.700 2.179 2.140 2.216 . 0 0 "[ . 1 . 2 ]" 1
253 1 20 VAL HA 1 37 PHE HA 5.000 . 5.000 2.750 1.745 3.369 . 0 0 "[ . 1 . 2 ]" 1
254 1 20 VAL HB 1 35 VAL QG 6.000 . 6.000 3.928 3.367 4.607 . 0 0 "[ . 1 . 2 ]" 1
255 1 20 VAL HB 1 35 VAL QG 6.000 . 6.000 4.373 3.780 5.120 . 0 0 "[ . 1 . 2 ]" 1
256 1 20 VAL QG 1 21 PHE H 3.300 . 3.300 2.249 1.910 2.644 . 0 0 "[ . 1 . 2 ]" 1
257 1 20 VAL QG 1 35 VAL HA 6.000 . 6.000 3.998 2.843 4.469 . 0 0 "[ . 1 . 2 ]" 1
258 1 20 VAL QG 1 36 GLU H 5.000 . 5.000 3.510 2.208 4.318 . 0 0 "[ . 1 . 2 ]" 1
259 1 20 VAL QG 1 37 PHE HA 5.000 . 5.000 2.830 1.767 3.727 . 0 0 "[ . 1 . 2 ]" 1
260 1 20 VAL QG 1 37 PHE QD 3.300 . 3.300 2.965 2.554 3.195 . 0 0 "[ . 1 . 2 ]" 1
261 1 20 VAL QG 1 37 PHE QE 5.000 . 5.000 3.044 2.609 3.481 . 0 0 "[ . 1 . 2 ]" 1
262 1 21 PHE H 1 21 PHE HB2 3.300 . 3.300 2.462 2.381 2.546 . 0 0 "[ . 1 . 2 ]" 1
263 1 21 PHE H 1 21 PHE QD 5.000 . 5.000 2.342 2.114 2.647 . 0 0 "[ . 1 . 2 ]" 1
264 1 21 PHE H 1 36 GLU H 5.000 . 5.000 3.081 2.585 3.596 . 0 0 "[ . 1 . 2 ]" 1
265 1 21 PHE HA 1 22 LEU H 2.700 . 2.700 2.264 2.146 2.734 0.034 5 0 "[ . 1 . 2 ]" 1
266 1 21 PHE HB2 1 22 LEU H 6.000 . 6.000 4.081 2.959 4.490 . 0 0 "[ . 1 . 2 ]" 1
267 1 21 PHE HB2 1 36 GLU H 5.000 . 5.000 2.820 2.101 3.764 . 0 0 "[ . 1 . 2 ]" 1
268 1 21 PHE HB2 1 36 GLU HB2 5.000 . 5.000 2.860 1.853 4.022 . 0 0 "[ . 1 . 2 ]" 1
269 1 21 PHE HB2 1 36 GLU HB3 5.000 . 5.000 3.273 2.229 4.352 . 0 0 "[ . 1 . 2 ]" 1
270 1 21 PHE HB3 1 22 LEU H 5.000 . 5.000 3.060 1.805 4.304 . 0 0 "[ . 1 . 2 ]" 1
271 1 21 PHE HB3 1 36 GLU HB2 5.000 . 5.000 4.084 3.207 5.133 0.133 3 0 "[ . 1 . 2 ]" 1
272 1 21 PHE HB3 1 36 GLU HB3 5.000 . 5.000 4.626 3.585 5.132 0.132 1 0 "[ . 1 . 2 ]" 1
273 1 21 PHE QR 1 38 ARG H 6.000 . 6.000 3.976 2.858 4.733 . 0 0 "[ . 1 . 2 ]" 1
274 1 21 PHE QD 1 36 GLU HB2 6.000 . 6.000 4.565 3.072 5.689 . 0 0 "[ . 1 . 2 ]" 1
275 1 21 PHE QD 1 36 GLU HB3 6.000 . 6.000 4.665 3.678 5.820 . 0 0 "[ . 1 . 2 ]" 1
276 1 21 PHE QE 1 38 ARG HB2 6.000 . 6.000 3.973 1.869 5.944 . 0 0 "[ . 1 . 2 ]" 1
277 1 21 PHE QE 1 38 ARG HD3 5.000 . 5.000 3.977 2.368 5.432 0.432 3 0 "[ . 1 . 2 ]" 1
278 1 21 PHE QE 1 38 ARG HG2 6.000 . 6.000 3.826 2.527 5.786 . 0 0 "[ . 1 . 2 ]" 1
279 1 21 PHE QE 1 38 ARG HG3 5.000 . 5.000 3.891 2.707 5.960 0.960 19 2 "[ . 1 . -+2 ]" 1
280 1 22 LEU H 1 22 LEU HB3 3.300 . 3.300 3.243 2.519 3.837 0.537 11 2 "[ .- 1+ . 2 ]" 1
281 1 22 LEU H 1 22 LEU QD 5.000 . 5.000 3.117 1.630 4.153 . 0 0 "[ . 1 . 2 ]" 1
282 1 22 LEU H 1 23 THR HA 5.000 . 5.000 5.013 4.239 5.300 0.300 6 0 "[ . 1 . 2 ]" 1
283 1 22 LEU HA 1 22 LEU QD 3.300 . 3.300 2.595 1.801 3.342 0.042 23 0 "[ . 1 . 2 ]" 1
284 1 22 LEU HA 1 23 THR H 2.700 . 2.700 2.250 2.129 2.737 0.037 23 0 "[ . 1 . 2 ]" 1
285 1 22 LEU HA 1 35 VAL HA 5.000 . 5.000 2.752 2.148 5.025 0.025 2 0 "[ . 1 . 2 ]" 1
286 1 22 LEU HA 1 35 VAL QG 5.000 . 5.000 2.792 1.837 4.862 . 0 0 "[ . 1 . 2 ]" 1
287 1 22 LEU HB2 1 22 LEU QD 2.700 . 2.700 2.177 2.014 2.328 . 0 0 "[ . 1 . 2 ]" 1
288 1 22 LEU HB3 1 23 THR H 5.000 . 5.000 3.781 2.816 4.641 . 0 0 "[ . 1 . 2 ]" 1
289 1 22 LEU QD 1 23 THR H 5.000 . 5.000 2.950 1.768 4.215 . 0 0 "[ . 1 . 2 ]" 1
290 1 22 LEU QD 1 35 VAL HA 5.000 . 5.000 3.799 2.594 4.754 . 0 0 "[ . 1 . 2 ]" 1
291 1 22 LEU QD 1 58 TRP HZ2 5.000 . 5.000 4.538 3.118 5.234 0.234 2 0 "[ . 1 . 2 ]" 1
292 1 22 LEU HG 1 23 THR H 5.000 . 5.000 4.029 2.643 5.041 0.041 18 0 "[ . 1 . 2 ]" 1
293 1 23 THR H 1 24 GLY H 6.000 . 6.000 4.130 2.141 4.626 . 0 0 "[ . 1 . 2 ]" 1
294 1 23 THR H 1 34 ARG H 5.000 . 5.000 3.759 3.062 5.005 0.005 23 0 "[ . 1 . 2 ]" 1
295 1 23 THR H 1 35 VAL HA 5.000 . 5.000 3.711 2.726 5.155 0.155 6 0 "[ . 1 . 2 ]" 1
296 1 23 THR HA 1 24 GLY H 5.000 . 5.000 2.282 2.137 3.556 . 0 0 "[ . 1 . 2 ]" 1
297 1 23 THR HB 1 24 GLY H 5.000 . 5.000 3.582 1.852 4.233 . 0 0 "[ . 1 . 2 ]" 1
298 1 23 THR HB 1 33 ALA H 5.000 . 5.000 4.163 3.560 4.782 . 0 0 "[ . 1 . 2 ]" 1
299 1 23 THR MG 1 24 GLY H 5.000 . 5.000 3.297 1.826 4.042 . 0 0 "[ . 1 . 2 ]" 1
300 1 24 GLY H 1 25 GLY H 5.000 . 5.000 3.160 2.118 4.591 . 0 0 "[ . 1 . 2 ]" 1
301 1 24 GLY HA2 1 25 GLY H 5.000 . 5.000 2.899 2.131 3.573 . 0 0 "[ . 1 . 2 ]" 1
302 1 24 GLY HA3 1 25 GLY H 5.000 . 5.000 2.994 2.142 3.573 . 0 0 "[ . 1 . 2 ]" 1
303 1 25 GLY H 1 26 ASP H 5.000 . 5.000 4.087 2.787 4.633 . 0 0 "[ . 1 . 2 ]" 1
304 1 25 GLY H 1 29 ALA HA 5.000 . 5.000 4.250 2.066 5.071 0.071 11 0 "[ . 1 . 2 ]" 1
305 1 25 GLY QA 1 26 ASP H 2.700 . 2.700 2.163 2.094 2.638 . 0 0 "[ . 1 . 2 ]" 1
306 1 25 GLY QA 1 33 ALA H 6.000 . 6.000 4.969 3.081 6.080 0.080 14 0 "[ . 1 . 2 ]" 1
307 1 25 GLY HA2 1 26 ASP H 5.000 . 5.000 2.789 2.127 3.562 . 0 0 "[ . 1 . 2 ]" 1
308 1 25 GLY HA2 1 33 ALA MB 5.000 . 5.000 4.132 1.843 5.036 0.036 11 0 "[ . 1 . 2 ]" 1
309 1 25 GLY HA3 1 26 ASP H 5.000 . 5.000 2.514 2.143 3.137 . 0 0 "[ . 1 . 2 ]" 1
310 1 25 GLY HA3 1 33 ALA MB 5.000 . 5.000 3.436 1.671 4.565 . 0 0 "[ . 1 . 2 ]" 1
311 1 26 ASP H 1 29 ALA H 3.300 . 3.300 3.426 3.121 3.573 0.273 15 0 "[ . 1 . 2 ]" 1
312 1 26 ASP HA 1 27 LEU H 3.300 . 3.300 2.551 2.134 3.540 0.240 22 0 "[ . 1 . 2 ]" 1
313 1 26 ASP HB2 1 29 ALA MB 5.000 . 5.000 4.255 2.155 5.167 0.167 21 0 "[ . 1 . 2 ]" 1
314 1 26 ASP HB3 1 29 ALA MB 5.000 . 5.000 3.854 2.040 4.894 . 0 0 "[ . 1 . 2 ]" 1
315 1 27 LEU H 1 27 LEU QB . . 2.700 2.464 2.231 3.029 0.329 22 0 "[ . 1 . 2 ]" 1
316 1 27 LEU HA 1 27 LEU MD2 3.300 . 3.300 3.422 1.844 4.086 0.786 24 7 "[ -. * *1* . ** +]" 1
317 1 27 LEU HA 1 28 PRO HA 3.300 . 3.300 1.990 1.763 3.529 0.229 8 0 "[ . 1 . 2 ]" 1
318 1 27 LEU HA 1 29 ALA H 5.000 . 5.000 1.976 1.395 4.395 . 0 0 "[ . 1 . 2 ]" 1
319 1 27 LEU QB 1 28 PRO HA 3.300 . 3.300 2.763 2.334 3.324 0.024 7 0 "[ . 1 . 2 ]" 1
320 1 27 LEU MD2 1 28 PRO HA 5.000 . 5.000 3.939 2.669 4.759 . 0 0 "[ . 1 . 2 ]" 1
321 1 28 PRO HA 1 29 ALA H 5.000 . 5.000 2.784 2.119 3.473 . 0 0 "[ . 1 . 2 ]" 1
322 1 28 PRO HD2 1 29 ALA H 5.000 . 5.000 3.864 2.631 5.148 0.148 8 0 "[ . 1 . 2 ]" 1
323 1 28 PRO HG2 1 29 ALA H 5.000 . 5.000 4.573 4.132 5.011 0.011 8 0 "[ . 1 . 2 ]" 1
324 1 29 ALA H 1 29 ALA MB 3.300 . 3.300 2.521 2.079 2.912 . 0 0 "[ . 1 . 2 ]" 1
325 1 29 ALA H 1 30 LEU H 5.000 . 5.000 3.793 2.417 4.626 . 0 0 "[ . 1 . 2 ]" 1
326 1 29 ALA HA 1 30 LEU H 3.300 . 3.300 2.490 2.091 3.520 0.220 11 0 "[ . 1 . 2 ]" 1
327 1 29 ALA MB 1 30 LEU H 5.000 . 5.000 3.060 1.563 3.722 . 0 0 "[ . 1 . 2 ]" 1
328 1 29 ALA MB 1 31 ASP H 5.000 . 5.000 3.716 2.659 4.557 . 0 0 "[ . 1 . 2 ]" 1
329 1 29 ALA MB 1 31 ASP QB 5.000 . 5.000 4.156 2.720 5.249 0.249 18 0 "[ . 1 . 2 ]" 1
330 1 30 LEU H 1 30 LEU MD2 5.000 . 5.000 3.172 1.380 4.556 . 0 0 "[ . 1 . 2 ]" 1
331 1 30 LEU H 1 31 ASP H 3.300 . 3.300 2.591 1.825 3.340 0.040 13 0 "[ . 1 . 2 ]" 1
332 1 30 LEU HA 1 30 LEU MD2 3.300 . 3.300 3.000 1.799 4.089 0.789 23 4 "[** . - 1 . 2 + ]" 1
333 1 30 LEU HA 1 31 ASP H 5.000 . 5.000 3.117 2.341 3.556 . 0 0 "[ . 1 . 2 ]" 1
334 1 30 LEU HA 1 33 ALA MB 5.000 . 5.000 3.124 1.854 4.425 . 0 0 "[ . 1 . 2 ]" 1
335 1 30 LEU HB3 1 30 LEU MD2 3.300 . 3.300 2.569 2.129 3.201 . 0 0 "[ . 1 . 2 ]" 1
336 1 31 ASP H 1 31 ASP QB 2.700 . 2.700 2.447 2.216 2.861 0.161 4 0 "[ . 1 . 2 ]" 1
337 1 31 ASP HA 1 32 GLY H 2.700 . 2.700 2.382 2.137 2.832 0.132 8 0 "[ . 1 . 2 ]" 1
338 1 31 ASP HA 1 33 ALA H 5.000 . 5.000 4.173 3.561 4.809 . 0 0 "[ . 1 . 2 ]" 1
339 1 31 ASP QB 1 32 GLY H 5.000 . 5.000 3.679 2.795 4.045 . 0 0 "[ . 1 . 2 ]" 1
340 1 32 GLY H 1 33 ALA H 3.300 . 3.300 2.696 1.724 3.233 . 0 0 "[ . 1 . 2 ]" 1
341 1 32 GLY H 1 53 CYS HB3 5.000 . 5.000 4.469 2.569 5.937 0.937 23 2 "[ - . 1 . 2 + ]" 1
342 1 32 GLY HA2 1 33 ALA H 5.000 . 5.000 2.915 2.578 3.535 . 0 0 "[ . 1 . 2 ]" 1
343 1 32 GLY HA3 1 33 ALA H 5.000 . 5.000 3.428 2.855 3.581 . 0 0 "[ . 1 . 2 ]" 1
344 1 33 ALA H 1 33 ALA MB 2.700 . 2.700 2.238 2.040 2.723 0.023 24 0 "[ . 1 . 2 ]" 1
345 1 33 ALA H 1 53 CYS HB3 5.000 . 5.000 3.461 1.833 4.911 . 0 0 "[ . 1 . 2 ]" 1
346 1 33 ALA HA 1 34 ARG H 2.700 . 2.700 2.213 2.140 2.776 0.076 21 0 "[ . 1 . 2 ]" 1
347 1 33 ALA MB 1 34 ARG H 3.300 . 3.300 2.918 1.678 3.168 . 0 0 "[ . 1 . 2 ]" 1
348 1 33 ALA MB 1 53 CYS HB3 5.000 . 5.000 3.112 2.076 4.253 . 0 0 "[ . 1 . 2 ]" 1
349 1 33 ALA MB 1 58 TRP HH2 5.000 . 5.000 4.127 2.195 5.057 0.057 9 0 "[ . 1 . 2 ]" 1
350 1 34 ARG HA 1 35 VAL H 2.700 . 2.700 2.228 2.119 2.494 . 0 0 "[ . 1 . 2 ]" 1
351 1 34 ARG HA 1 35 VAL QG 5.000 . 5.000 3.494 3.142 4.019 . 0 0 "[ . 1 . 2 ]" 1
352 1 34 ARG HA 1 52 VAL QG 5.000 . 5.000 2.923 2.405 3.724 . 0 0 "[ . 1 . 2 ]" 1
353 1 34 ARG HA 1 53 CYS H 5.000 . 5.000 3.553 2.845 4.072 . 0 0 "[ . 1 . 2 ]" 1
354 1 34 ARG HB2 1 35 VAL H 5.000 . 5.000 3.960 2.925 4.634 . 0 0 "[ . 1 . 2 ]" 1
355 1 34 ARG HB3 1 35 VAL H 6.000 . 6.000 3.577 2.669 4.402 . 0 0 "[ . 1 . 2 ]" 1
356 1 34 ARG QD 1 52 VAL QG 5.000 . 5.000 3.672 1.659 4.772 . 0 0 "[ . 1 . 2 ]" 1
357 1 34 ARG HG3 1 52 VAL HB 6.000 . 6.000 4.372 2.189 6.073 0.073 23 0 "[ . 1 . 2 ]" 1
358 1 35 VAL H 1 35 VAL QG . . 3.300 2.239 1.864 3.031 . 0 0 "[ . 1 . 2 ]" 1
359 1 35 VAL H 1 51 SER H 5.000 . 5.000 3.539 2.878 4.042 . 0 0 "[ . 1 . 2 ]" 1
360 1 35 VAL H 1 58 TRP HZ3 5.000 . 5.000 3.539 2.157 4.912 . 0 0 "[ . 1 . 2 ]" 1
361 1 35 VAL HA 1 35 VAL QG 3.300 . 3.300 2.267 1.971 2.393 . 0 0 "[ . 1 . 2 ]" 1
362 1 35 VAL HA 1 36 GLU H 2.700 . 2.700 2.176 2.108 2.264 . 0 0 "[ . 1 . 2 ]" 1
363 1 35 VAL HB 1 36 GLU H 5.000 . 5.000 3.561 2.892 4.305 . 0 0 "[ . 1 . 2 ]" 1
364 1 35 VAL QG 1 36 GLU H 5.000 . 5.000 2.816 1.760 3.471 . 0 0 "[ . 1 . 2 ]" 1
365 1 35 VAL QG 1 37 PHE QE 6.000 . 6.000 1.874 1.525 2.439 . 0 0 "[ . 1 . 2 ]" 1
366 1 35 VAL QG 1 37 PHE QE 5.000 . 5.000 1.807 1.525 2.380 . 0 0 "[ . 1 . 2 ]" 1
367 1 35 VAL QG 1 37 PHE HZ 5.000 . 5.000 2.932 2.287 3.273 . 0 0 "[ . 1 . 2 ]" 1
368 1 35 VAL QG 1 50 ARG HA 5.000 . 5.000 4.081 3.017 4.742 . 0 0 "[ . 1 . 2 ]" 1
369 1 35 VAL QG 1 51 SER H . . 3.300 2.829 1.823 3.317 0.017 7 0 "[ . 1 . 2 ]" 1
370 1 35 VAL QG 1 51 SER HA 6.000 . 6.000 4.103 3.617 4.885 . 0 0 "[ . 1 . 2 ]" 1
371 1 35 VAL QG 1 51 SER HB2 . . 5.000 2.709 1.778 4.042 . 0 0 "[ . 1 . 2 ]" 1
372 1 35 VAL QG 1 51 SER HB3 . . 5.000 2.913 1.890 3.846 . 0 0 "[ . 1 . 2 ]" 1
373 1 35 VAL QG 1 58 TRP HE3 6.000 . 6.000 2.701 2.184 3.764 . 0 0 "[ . 1 . 2 ]" 1
374 1 35 VAL QG 1 58 TRP HH2 5.000 . 5.000 2.726 1.906 3.624 . 0 0 "[ . 1 . 2 ]" 1
375 1 35 VAL QG 1 58 TRP HZ3 5.000 . 5.000 1.956 1.516 2.676 . 0 0 "[ . 1 . 2 ]" 1
376 1 36 GLU HA 1 37 PHE H 2.700 . 2.700 2.168 2.128 2.386 . 0 0 "[ . 1 . 2 ]" 1
377 1 36 GLU HA 1 37 PHE HB2 6.000 . 6.000 4.550 4.452 4.678 . 0 0 "[ . 1 . 2 ]" 1
378 1 36 GLU HA 1 37 PHE QD 6.000 . 6.000 3.117 2.890 3.858 . 0 0 "[ . 1 . 2 ]" 1
379 1 36 GLU HA 1 50 ARG HA 3.300 . 3.300 3.015 2.364 3.322 0.022 23 0 "[ . 1 . 2 ]" 1
380 1 36 GLU HA 1 51 SER H 5.000 . 5.000 3.879 3.452 4.336 . 0 0 "[ . 1 . 2 ]" 1
381 1 36 GLU HB2 1 37 PHE H 5.000 . 5.000 3.734 3.076 4.231 . 0 0 "[ . 1 . 2 ]" 1
382 1 36 GLU HB3 1 37 PHE H 6.000 . 6.000 3.813 3.123 4.459 . 0 0 "[ . 1 . 2 ]" 1
383 1 36 GLU HG2 1 37 PHE H 5.000 . 5.000 4.585 3.163 5.392 0.392 13 0 "[ . 1 . 2 ]" 1
384 1 37 PHE H 1 37 PHE HB2 3.300 . 3.300 2.446 2.324 2.619 . 0 0 "[ . 1 . 2 ]" 1
385 1 37 PHE H 1 37 PHE QD 5.000 . 5.000 1.985 1.675 2.360 . 0 0 "[ . 1 . 2 ]" 1
386 1 37 PHE H 1 49 SER HA 5.000 . 5.000 3.651 2.952 4.206 . 0 0 "[ . 1 . 2 ]" 1
387 1 37 PHE H 1 50 ARG HA 5.000 . 5.000 3.493 2.881 4.242 . 0 0 "[ . 1 . 2 ]" 1
388 1 37 PHE HA 1 38 ARG H 2.700 . 2.700 2.268 2.182 2.656 . 0 0 "[ . 1 . 2 ]" 1
389 1 37 PHE HA 1 45 LEU QD 6.000 . 6.000 3.132 2.504 3.479 . 0 0 "[ . 1 . 2 ]" 1
390 1 37 PHE HB2 1 37 PHE QD 3.300 . 3.300 2.604 2.438 2.683 . 0 0 "[ . 1 . 2 ]" 1
391 1 37 PHE HB2 1 38 ARG H 5.000 . 5.000 3.998 3.838 4.422 . 0 0 "[ . 1 . 2 ]" 1
392 1 37 PHE HB2 1 45 LEU QD 5.000 . 5.000 2.261 1.835 3.505 . 0 0 "[ . 1 . 2 ]" 1
393 1 37 PHE HB2 1 49 SER HA 5.000 . 5.000 2.263 1.870 2.712 . 0 0 "[ . 1 . 2 ]" 1
394 1 37 PHE HB2 1 63 PRO HG2 6.000 . 6.000 4.143 2.953 5.410 . 0 0 "[ . 1 . 2 ]" 1
395 1 37 PHE HB2 1 63 PRO HG3 5.000 . 5.000 3.495 2.378 4.843 . 0 0 "[ . 1 . 2 ]" 1
396 1 37 PHE HB3 1 37 PHE QD 3.300 . 3.300 2.268 2.256 2.341 . 0 0 "[ . 1 . 2 ]" 1
397 1 37 PHE HB3 1 37 PHE QE 5.000 . 5.000 4.369 4.362 4.391 . 0 0 "[ . 1 . 2 ]" 1
398 1 37 PHE HB3 1 38 ARG H 5.000 . 5.000 2.956 2.610 4.410 . 0 0 "[ . 1 . 2 ]" 1
399 1 37 PHE HB3 1 45 LEU QD 5.000 . 5.000 2.269 1.957 3.505 . 0 0 "[ . 1 . 2 ]" 1
400 1 37 PHE HB3 1 49 SER HA 5.000 . 5.000 3.685 3.106 4.342 . 0 0 "[ . 1 . 2 ]" 1
401 1 37 PHE HB3 1 63 PRO HG2 6.000 . 6.000 3.784 2.733 4.751 . 0 0 "[ . 1 . 2 ]" 1
402 1 37 PHE HB3 1 63 PRO HG3 5.000 . 5.000 3.878 3.089 5.042 0.042 14 0 "[ . 1 . 2 ]" 1
403 1 37 PHE QD 1 38 ARG H 5.000 . 5.000 4.176 3.806 4.810 . 0 0 "[ . 1 . 2 ]" 1
404 1 37 PHE QD 1 45 LEU QD . . 5.000 3.357 2.714 4.337 . 0 0 "[ . 1 . 2 ]" 1
405 1 37 PHE QD 1 49 SER HA 5.000 . 5.000 3.779 3.179 4.353 . 0 0 "[ . 1 . 2 ]" 1
406 1 37 PHE QD 1 50 ARG H 6.000 . 6.000 4.719 3.822 5.929 . 0 0 "[ . 1 . 2 ]" 1
407 1 37 PHE QD 1 50 ARG HA 5.000 . 5.000 3.455 2.353 4.404 . 0 0 "[ . 1 . 2 ]" 1
408 1 37 PHE QD 1 51 SER H 6.000 . 6.000 3.866 3.163 4.573 . 0 0 "[ . 1 . 2 ]" 1
409 1 37 PHE QD 1 51 SER HB2 6.000 . 6.000 4.282 3.496 5.858 . 0 0 "[ . 1 . 2 ]" 1
410 1 37 PHE QD 1 51 SER HB3 6.000 . 6.000 4.807 3.517 5.693 . 0 0 "[ . 1 . 2 ]" 1
411 1 37 PHE QD 1 63 PRO HD2 6.000 . 6.000 3.055 2.589 3.964 . 0 0 "[ . 1 . 2 ]" 1
412 1 37 PHE QD 1 63 PRO HD3 6.000 . 6.000 3.832 3.044 4.383 . 0 0 "[ . 1 . 2 ]" 1
413 1 37 PHE QD 1 63 PRO HG2 5.000 . 5.000 3.685 2.727 4.645 . 0 0 "[ . 1 . 2 ]" 1
414 1 37 PHE QD 1 63 PRO HG3 5.000 . 5.000 3.907 3.056 4.849 . 0 0 "[ . 1 . 2 ]" 1
415 1 37 PHE QE 1 51 SER H 6.000 . 6.000 3.715 2.537 5.273 . 0 0 "[ . 1 . 2 ]" 1
416 1 37 PHE QE 1 51 SER HB2 5.000 . 5.000 2.637 1.737 4.594 . 0 0 "[ . 1 . 2 ]" 1
417 1 37 PHE QE 1 51 SER QB 6.000 . 6.000 2.178 1.640 3.706 . 0 0 "[ . 1 . 2 ]" 1
418 1 37 PHE QE 1 51 SER HB3 5.000 . 5.000 3.044 1.647 4.114 . 0 0 "[ . 1 . 2 ]" 1
419 1 37 PHE QE 1 62 LYS HA 6.000 . 6.000 3.462 2.818 4.245 . 0 0 "[ . 1 . 2 ]" 1
420 1 37 PHE QE 1 63 PRO HD2 5.000 . 5.000 3.373 2.550 4.476 . 0 0 "[ . 1 . 2 ]" 1
421 1 37 PHE QE 1 63 PRO HD3 6.000 . 6.000 3.941 3.027 4.668 . 0 0 "[ . 1 . 2 ]" 1
422 1 37 PHE QE 1 63 PRO HG3 6.000 . 6.000 5.031 4.272 5.668 . 0 0 "[ . 1 . 2 ]" 1
423 1 37 PHE HZ 1 51 SER HB2 6.000 . 6.000 3.702 2.555 5.324 . 0 0 "[ . 1 . 2 ]" 1
424 1 37 PHE HZ 1 51 SER HB3 6.000 . 6.000 3.846 3.031 4.730 . 0 0 "[ . 1 . 2 ]" 1
425 1 38 ARG H 1 39 CYS H 6.000 . 6.000 4.128 3.959 4.586 . 0 0 "[ . 1 . 2 ]" 1
426 1 38 ARG HA 1 39 CYS H 2.700 . 2.700 2.158 2.131 2.182 . 0 0 "[ . 1 . 2 ]" 1
427 1 38 ARG HA 1 45 LEU QD 5.000 . 5.000 2.661 1.857 3.316 . 0 0 "[ . 1 . 2 ]" 1
428 1 38 ARG HB2 1 38 ARG HG2 2.700 . 2.700 2.798 2.439 3.010 0.310 9 0 "[ . 1 . 2 ]" 1
429 1 38 ARG HB2 1 38 ARG HG3 2.700 . 2.700 2.575 2.387 3.013 0.313 21 0 "[ . 1 . 2 ]" 1
430 1 38 ARG HB2 1 39 CYS H 5.000 . 5.000 3.906 3.120 4.401 . 0 0 "[ . 1 . 2 ]" 1
431 1 38 ARG HB3 1 39 CYS H 5.000 . 5.000 2.651 1.956 3.292 . 0 0 "[ . 1 . 2 ]" 1
432 1 38 ARG HB3 1 39 CYS H 5.000 . 5.000 3.927 3.184 4.268 . 0 0 "[ . 1 . 2 ]" 1
433 1 38 ARG HG2 1 39 CYS H 6.000 . 6.000 4.608 2.975 5.179 . 0 0 "[ . 1 . 2 ]" 1
434 1 38 ARG HG3 1 39 CYS H 6.000 . 6.000 4.159 2.901 5.585 . 0 0 "[ . 1 . 2 ]" 1
435 1 39 CYS H 1 39 CYS HB2 3.300 . 3.300 2.519 2.339 2.768 . 0 0 "[ . 1 . 2 ]" 1
436 1 39 CYS H 1 39 CYS HB2 3.300 . 3.300 2.490 2.312 2.717 . 0 0 "[ . 1 . 2 ]" 1
437 1 39 CYS H 1 45 LEU HB3 5.000 . 5.000 3.966 2.895 4.919 . 0 0 "[ . 1 . 2 ]" 1
438 1 39 CYS H 1 45 LEU QD 5.000 . 5.000 3.376 2.412 3.969 . 0 0 "[ . 1 . 2 ]" 1
439 1 39 CYS HA 1 40 ASP H 2.700 . 2.700 2.267 2.189 2.442 . 0 0 "[ . 1 . 2 ]" 1
440 1 39 CYS HA 1 40 ASP HB3 6.000 . 6.000 5.485 4.437 5.881 . 0 0 "[ . 1 . 2 ]" 1
441 1 39 CYS HB2 1 40 ASP H 5.000 . 5.000 3.939 3.595 4.156 . 0 0 "[ . 1 . 2 ]" 1
442 1 39 CYS HB2 1 43 PHE HB2 5.000 . 5.000 3.773 2.449 4.918 . 0 0 "[ . 1 . 2 ]" 1
443 1 39 CYS HB2 1 44 HIS HA 5.000 . 5.000 3.854 2.648 4.954 . 0 0 "[ . 1 . 2 ]" 1
444 1 39 CYS HB2 1 45 LEU H 5.000 . 5.000 3.484 2.718 4.377 . 0 0 "[ . 1 . 2 ]" 1
445 1 39 CYS HB3 1 40 ASP H 5.000 . 5.000 3.130 2.228 3.906 . 0 0 "[ . 1 . 2 ]" 1
446 1 39 CYS HB3 1 43 PHE H 5.000 . 5.000 4.422 3.593 5.075 0.075 8 0 "[ . 1 . 2 ]" 1
447 1 39 CYS HB3 1 43 PHE HB2 5.000 . 5.000 2.854 1.994 4.096 . 0 0 "[ . 1 . 2 ]" 1
448 1 39 CYS HB3 1 43 PHE HB3 5.000 . 5.000 3.624 2.484 4.634 . 0 0 "[ . 1 . 2 ]" 1
449 1 39 CYS HB3 1 43 PHE QD 6.000 . 6.000 4.700 3.558 5.823 . 0 0 "[ . 1 . 2 ]" 1
450 1 39 CYS HB3 1 44 HIS H 6.000 . 6.000 5.020 4.208 6.019 0.019 10 0 "[ . 1 . 2 ]" 1
451 1 39 CYS HB3 1 44 HIS HA 6.000 . 6.000 4.215 2.743 5.866 . 0 0 "[ . 1 . 2 ]" 1
452 1 39 CYS HB3 1 65 CYS HB2 5.000 . 5.000 4.031 3.657 4.562 . 0 0 "[ . 1 . 2 ]" 1
453 1 39 CYS HB3 1 65 CYS HB3 5.000 . 5.000 3.512 2.560 4.686 . 0 0 "[ . 1 . 2 ]" 1
454 1 40 ASP H 1 40 ASP HB3 3.300 . 3.300 3.314 2.413 3.602 0.302 21 0 "[ . 1 . 2 ]" 1
455 1 40 ASP H 1 41 PRO HD3 6.000 . 6.000 5.147 4.606 5.422 . 0 0 "[ . 1 . 2 ]" 1
456 1 40 ASP H 1 43 PHE HB2 5.000 . 5.000 4.012 3.304 4.370 . 0 0 "[ . 1 . 2 ]" 1
457 1 40 ASP H 1 43 PHE HB3 6.000 . 6.000 5.468 4.526 6.046 0.046 10 0 "[ . 1 . 2 ]" 1
458 1 40 ASP H 1 43 PHE QD 6.000 . 6.000 5.046 4.396 5.657 . 0 0 "[ . 1 . 2 ]" 1
459 1 40 ASP HA 1 41 PRO HD2 3.300 . 3.300 2.433 2.012 3.078 . 0 0 "[ . 1 . 2 ]" 1
460 1 40 ASP HA 1 41 PRO HD3 2.700 . 2.700 2.463 1.899 2.790 0.090 19 0 "[ . 1 . 2 ]" 1
461 1 40 ASP HB2 1 41 PRO HD2 3.300 . 3.300 3.256 1.781 3.923 0.623 21 2 "[ . - . 2+ ]" 1
462 1 40 ASP HB2 1 41 PRO HD3 5.000 . 5.000 4.438 2.805 4.976 . 0 0 "[ . 1 . 2 ]" 1
463 1 40 ASP HB2 1 43 PHE QD 5.000 . 5.000 4.150 3.474 5.069 0.069 2 0 "[ . 1 . 2 ]" 1
464 1 40 ASP HB3 1 42 ASP H 5.000 . 5.000 3.478 2.816 4.221 . 0 0 "[ . 1 . 2 ]" 1
465 1 40 ASP HB3 1 41 PRO HD2 5.000 . 5.000 2.362 1.635 3.918 . 0 0 "[ . 1 . 2 ]" 1
466 1 40 ASP HB3 1 41 PRO HD3 5.000 . 5.000 3.679 3.098 5.046 0.046 2 0 "[ . 1 . 2 ]" 1
467 1 40 ASP HB3 1 43 PHE QD 5.000 . 5.000 4.926 3.364 5.168 0.168 4 0 "[ . 1 . 2 ]" 1
468 1 40 ASP HB3 1 43 PHE QE 6.000 . 6.000 5.941 4.546 6.304 0.304 8 0 "[ . 1 . 2 ]" 1
469 1 41 PRO HA 1 42 ASP H 2.700 . 2.700 2.386 2.227 2.741 0.041 7 0 "[ . 1 . 2 ]" 1
470 1 41 PRO HB2 1 42 ASP H 5.000 . 5.000 3.622 2.820 4.350 . 0 0 "[ . 1 . 2 ]" 1
471 1 41 PRO HB3 1 42 ASP H 5.000 . 5.000 3.809 2.864 4.664 . 0 0 "[ . 1 . 2 ]" 1
472 1 41 PRO HD2 1 42 ASP H 6.000 . 6.000 5.332 4.175 5.818 . 0 0 "[ . 1 . 2 ]" 1
473 1 42 ASP H 1 42 ASP HA 2.700 . 2.700 2.504 2.278 2.894 0.194 15 0 "[ . 1 . 2 ]" 1
474 1 42 ASP H 1 43 PHE H 3.300 . 3.300 2.509 1.530 3.193 . 0 0 "[ . 1 . 2 ]" 1
475 1 42 ASP H 1 43 PHE HA 5.000 . 5.000 4.293 3.879 4.724 . 0 0 "[ . 1 . 2 ]" 1
476 1 42 ASP H 1 43 PHE QD 5.000 . 5.000 4.161 3.300 4.854 . 0 0 "[ . 1 . 2 ]" 1
477 1 42 ASP H 1 43 PHE QD 5.000 . 5.000 3.475 2.900 4.032 . 0 0 "[ . 1 . 2 ]" 1
478 1 42 ASP H 1 43 PHE QE 6.000 . 6.000 4.226 3.565 4.982 . 0 0 "[ . 1 . 2 ]" 1
479 1 42 ASP H 1 68 ASN HA 5.000 . 5.000 5.219 5.076 5.330 0.330 3 0 "[ . 1 . 2 ]" 1
480 1 42 ASP H 1 68 ASN HD22 6.000 . 6.000 4.993 3.717 5.637 . 0 0 "[ . 1 . 2 ]" 1
481 1 42 ASP HA 1 43 PHE H 5.000 . 5.000 3.475 3.264 3.530 . 0 0 "[ . 1 . 2 ]" 1
482 1 42 ASP HA 1 68 ASN HD21 5.000 . 5.000 3.547 2.248 5.051 0.051 1 0 "[ . 1 . 2 ]" 1
483 1 42 ASP HA 1 68 ASN HD22 5.000 . 5.000 3.673 1.701 4.897 . 0 0 "[ . 1 . 2 ]" 1
484 1 42 ASP HB2 1 43 PHE QD 6.000 . 6.000 2.898 1.849 4.074 . 0 0 "[ . 1 . 2 ]" 1
485 1 42 ASP HB2 1 43 PHE QE 6.000 . 6.000 3.421 2.631 4.262 . 0 0 "[ . 1 . 2 ]" 1
486 1 42 ASP HB3 1 43 PHE QD 6.000 . 6.000 2.729 1.884 3.921 . 0 0 "[ . 1 . 2 ]" 1
487 1 42 ASP HB3 1 43 PHE QE 6.000 . 6.000 3.142 2.642 4.664 . 0 0 "[ . 1 . 2 ]" 1
488 1 43 PHE H 1 43 PHE HB2 3.300 . 3.300 2.596 2.460 2.774 . 0 0 "[ . 1 . 2 ]" 1
489 1 43 PHE H 1 43 PHE QD 3.300 . 3.300 2.226 2.037 2.650 . 0 0 "[ . 1 . 2 ]" 1
490 1 43 PHE H 1 43 PHE QE 6.000 . 6.000 4.418 4.139 4.739 . 0 0 "[ . 1 . 2 ]" 1
491 1 43 PHE H 1 68 ASN HD21 6.000 . 6.000 5.131 4.358 6.045 0.045 19 0 "[ . 1 . 2 ]" 1
492 1 43 PHE H 1 68 ASN HD22 6.000 . 6.000 5.401 4.744 6.060 0.060 17 0 "[ . 1 . 2 ]" 1
493 1 43 PHE HA 1 44 HIS H 2.700 . 2.700 2.207 2.160 2.325 . 0 0 "[ . 1 . 2 ]" 1
494 1 43 PHE HA 1 67 VAL HA 3.300 . 3.300 2.812 2.273 3.336 0.036 23 0 "[ . 1 . 2 ]" 1
495 1 43 PHE HA 1 67 VAL MG2 5.000 . 5.000 4.327 3.802 5.043 0.043 11 0 "[ . 1 . 2 ]" 1
496 1 43 PHE HA 1 68 ASN H 3.300 . 3.300 3.022 1.752 3.422 0.122 2 0 "[ . 1 . 2 ]" 1
497 1 43 PHE HB2 1 44 HIS H 6.000 . 6.000 4.091 3.755 4.224 . 0 0 "[ . 1 . 2 ]" 1
498 1 43 PHE HB2 1 65 CYS HA 6.000 . 6.000 5.176 4.402 6.064 0.064 24 0 "[ . 1 . 2 ]" 1
499 1 43 PHE HB2 1 65 CYS HB2 5.000 . 5.000 4.307 3.409 5.105 0.105 4 0 "[ . 1 . 2 ]" 1
500 1 43 PHE HB2 1 65 CYS HB3 5.000 . 5.000 3.149 2.346 5.047 0.047 4 0 "[ . 1 . 2 ]" 1
501 1 43 PHE HB2 1 66 GLN H 6.000 . 6.000 5.097 4.294 5.948 . 0 0 "[ . 1 . 2 ]" 1
502 1 43 PHE HB3 1 44 HIS H 3.300 . 3.300 3.137 2.708 3.334 0.034 19 0 "[ . 1 . 2 ]" 1
503 1 43 PHE HB3 1 65 CYS HA 6.000 . 6.000 3.990 3.439 4.825 . 0 0 "[ . 1 . 2 ]" 1
504 1 43 PHE HB3 1 65 CYS HB2 5.000 . 5.000 3.577 2.615 4.564 . 0 0 "[ . 1 . 2 ]" 1
505 1 43 PHE HB3 1 66 GLN H 6.000 . 6.000 3.525 2.877 4.366 . 0 0 "[ . 1 . 2 ]" 1
506 1 43 PHE HB3 1 67 VAL HA 6.000 . 6.000 3.952 3.526 4.689 . 0 0 "[ . 1 . 2 ]" 1
507 1 43 PHE QD 1 44 HIS H 5.000 . 5.000 4.463 4.254 4.600 . 0 0 "[ . 1 . 2 ]" 1
508 1 43 PHE QD 1 65 CYS HB2 5.000 . 5.000 3.716 2.374 5.161 0.161 17 0 "[ . 1 . 2 ]" 1
509 1 43 PHE QD 1 65 CYS HB3 5.000 . 5.000 3.128 2.198 4.046 . 0 0 "[ . 1 . 2 ]" 1
510 1 43 PHE QD 1 66 GLN H 5.000 . 5.000 4.229 3.585 5.015 0.015 19 0 "[ . 1 . 2 ]" 1
511 1 43 PHE QD 1 66 GLN HA 5.000 . 5.000 3.795 2.994 4.577 . 0 0 "[ . 1 . 2 ]" 1
512 1 43 PHE QD 1 67 VAL H 5.000 . 5.000 3.760 3.014 4.556 . 0 0 "[ . 1 . 2 ]" 1
513 1 43 PHE QD 1 67 VAL HA 5.000 . 5.000 3.221 2.375 3.877 . 0 0 "[ . 1 . 2 ]" 1
514 1 43 PHE QD 1 67 VAL HB 6.000 . 6.000 3.945 2.854 5.602 . 0 0 "[ . 1 . 2 ]" 1
515 1 43 PHE QD 1 67 VAL MG1 6.000 . 6.000 4.413 3.938 5.583 . 0 0 "[ . 1 . 2 ]" 1
516 1 43 PHE QD 1 67 VAL MG2 6.000 . 6.000 3.761 2.869 4.938 . 0 0 "[ . 1 . 2 ]" 1
517 1 43 PHE QD 1 68 ASN H 6.000 . 6.000 4.661 3.680 5.218 . 0 0 "[ . 1 . 2 ]" 1
518 1 43 PHE QE 1 66 GLN HA 6.000 . 6.000 5.091 4.010 6.011 0.011 2 0 "[ . 1 . 2 ]" 1
519 1 43 PHE QE 1 67 VAL H 6.000 . 6.000 4.343 3.584 5.288 . 0 0 "[ . 1 . 2 ]" 1
520 1 43 PHE QE 1 67 VAL HA 6.000 . 6.000 3.920 3.101 4.513 . 0 0 "[ . 1 . 2 ]" 1
521 1 43 PHE QE 1 67 VAL HB 5.000 . 5.000 3.381 2.123 5.103 0.103 12 0 "[ . 1 . 2 ]" 1
522 1 43 PHE QE 1 67 VAL MG1 6.000 . 6.000 3.918 3.378 5.664 . 0 0 "[ . 1 . 2 ]" 1
523 1 43 PHE QE 1 67 VAL MG2 5.000 . 5.000 3.143 1.958 4.485 . 0 0 "[ . 1 . 2 ]" 1
524 1 44 HIS H 1 44 HIS HD2 6.000 . 6.000 4.145 1.716 5.079 . 0 0 "[ . 1 . 2 ]" 1
525 1 44 HIS H 1 66 GLN HB3 6.000 . 6.000 4.151 2.964 5.104 . 0 0 "[ . 1 . 2 ]" 1
526 1 44 HIS H 1 67 VAL HA 5.000 . 5.000 4.118 3.477 4.722 . 0 0 "[ . 1 . 2 ]" 1
527 1 44 HIS H 1 68 ASN H 6.000 . 6.000 3.897 2.610 4.840 . 0 0 "[ . 1 . 2 ]" 1
528 1 44 HIS HA 1 45 LEU H 2.700 . 2.700 2.152 2.104 2.225 . 0 0 "[ . 1 . 2 ]" 1
529 1 44 HIS HA 1 45 LEU HB2 6.000 . 6.000 4.376 4.262 4.524 . 0 0 "[ . 1 . 2 ]" 1
530 1 44 HIS HA 1 45 LEU HB3 6.000 . 6.000 4.700 4.467 4.822 . 0 0 "[ . 1 . 2 ]" 1
531 1 44 HIS QB 1 45 LEU H 3.300 . 3.300 3.082 2.782 3.255 . 0 0 "[ . 1 . 2 ]" 1
532 1 44 HIS HD2 1 45 LEU H 6.000 . 6.000 5.136 4.762 5.479 . 0 0 "[ . 1 . 2 ]" 1
533 1 44 HIS HD2 1 46 VAL QG 5.000 . 5.000 2.712 2.189 4.904 . 0 0 "[ . 1 . 2 ]" 1
534 1 44 HIS HE1 1 66 GLN HB3 6.000 . 6.000 3.362 2.384 5.567 . 0 0 "[ . 1 . 2 ]" 1
535 1 44 HIS HE1 1 66 GLN QG 5.000 . 5.000 3.391 2.128 5.093 0.093 23 0 "[ . 1 . 2 ]" 1
536 1 44 HIS HE1 1 68 ASN HA 5.000 . 5.000 2.930 1.520 4.861 . 0 0 "[ . 1 . 2 ]" 1
537 1 45 LEU H 1 45 LEU HB2 2.700 . 2.700 2.470 2.347 2.663 . 0 0 "[ . 1 . 2 ]" 1
538 1 45 LEU H 1 45 LEU HB3 2.700 . 2.700 2.559 2.349 2.650 . 0 0 "[ . 1 . 2 ]" 1
539 1 45 LEU H 1 45 LEU QD 5.000 . 5.000 3.668 3.565 3.742 . 0 0 "[ . 1 . 2 ]" 1
540 1 45 LEU H 1 45 LEU HG 5.000 . 5.000 4.476 4.374 4.607 . 0 0 "[ . 1 . 2 ]" 1
541 1 45 LEU HA 1 45 LEU QD . . 3.300 2.360 1.729 3.015 . 0 0 "[ . 1 . 2 ]" 1
542 1 45 LEU HA 1 46 VAL H 2.700 . 2.700 2.170 2.147 2.221 . 0 0 "[ . 1 . 2 ]" 1
543 1 45 LEU HA 1 46 VAL HB 6.000 . 6.000 4.652 4.404 4.742 . 0 0 "[ . 1 . 2 ]" 1
544 1 45 LEU HA 1 46 VAL QG 5.000 . 5.000 3.456 3.307 3.701 . 0 0 "[ . 1 . 2 ]" 1
545 1 45 LEU HA 1 65 CYS HA 5.000 . 5.000 2.644 2.183 3.139 . 0 0 "[ . 1 . 2 ]" 1
546 1 45 LEU HA 1 66 GLN H 5.000 . 5.000 3.801 3.327 4.371 . 0 0 "[ . 1 . 2 ]" 1
547 1 45 LEU HB2 1 46 VAL H 6.000 . 6.000 4.288 4.159 4.425 . 0 0 "[ . 1 . 2 ]" 1
548 1 45 LEU HB3 1 46 VAL H 5.000 . 5.000 4.110 3.976 4.257 . 0 0 "[ . 1 . 2 ]" 1
549 1 45 LEU QD 1 46 VAL H 5.000 . 5.000 2.376 2.019 2.681 . 0 0 "[ . 1 . 2 ]" 1
550 1 45 LEU QD 1 47 GLY H 6.000 . 6.000 2.403 1.687 3.612 . 0 0 "[ . 1 . 2 ]" 1
551 1 45 LEU QD 1 49 SER H 6.000 . 6.000 3.013 2.339 3.982 . 0 0 "[ . 1 . 2 ]" 1
552 1 45 LEU QD 1 49 SER HA 3.300 . 3.300 1.926 1.518 2.639 . 0 0 "[ . 1 . 2 ]" 1
553 1 45 LEU QD 1 49 SER QB 5.000 . 5.000 1.979 1.564 2.408 . 0 0 "[ . 1 . 2 ]" 1
554 1 45 LEU QD 1 63 PRO HB2 5.000 . 5.000 2.260 1.732 3.044 . 0 0 "[ . 1 . 2 ]" 1
555 1 45 LEU QD 1 63 PRO HB3 5.000 . 5.000 2.920 2.373 3.802 . 0 0 "[ . 1 . 2 ]" 1
556 1 45 LEU QD 1 63 PRO HD2 5.000 . 5.000 3.658 2.946 4.394 . 0 0 "[ . 1 . 2 ]" 1
557 1 45 LEU QD 1 63 PRO HD3 5.000 . 5.000 3.822 3.612 4.154 . 0 0 "[ . 1 . 2 ]" 1
558 1 45 LEU QD 1 63 PRO HG2 5.000 . 5.000 2.187 1.712 3.021 . 0 0 "[ . 1 . 2 ]" 1
559 1 45 LEU QD 1 63 PRO HG3 5.000 . 5.000 2.253 1.883 3.044 . 0 0 "[ . 1 . 2 ]" 1
560 1 45 LEU QD 1 64 HIS H 6.000 . 6.000 2.965 2.079 3.707 . 0 0 "[ . 1 . 2 ]" 1
561 1 45 LEU HG 1 46 VAL H 5.000 . 5.000 3.354 2.843 4.578 . 0 0 "[ . 1 . 2 ]" 1
562 1 45 LEU HG 1 63 PRO HB2 5.000 . 5.000 3.510 2.552 4.519 . 0 0 "[ . 1 . 2 ]" 1
563 1 45 LEU HG 1 63 PRO HB3 5.000 . 5.000 4.410 3.510 4.993 . 0 0 "[ . 1 . 2 ]" 1
564 1 46 VAL H 1 46 VAL HB 3.300 . 3.300 2.837 2.738 3.249 . 0 0 "[ . 1 . 2 ]" 1
565 1 46 VAL H 1 46 VAL QG . . 3.300 2.675 2.177 2.848 . 0 0 "[ . 1 . 2 ]" 1
566 1 46 VAL H 1 47 GLY H 6.000 . 6.000 3.287 3.121 3.565 . 0 0 "[ . 1 . 2 ]" 1
567 1 46 VAL H 1 48 SER H 6.000 . 6.000 5.935 5.625 6.066 0.066 17 0 "[ . 1 . 2 ]" 1
568 1 46 VAL H 1 63 PRO HB2 6.000 . 6.000 3.730 2.897 4.103 . 0 0 "[ . 1 . 2 ]" 1
569 1 46 VAL H 1 63 PRO HB3 6.000 . 6.000 4.973 4.125 5.507 . 0 0 "[ . 1 . 2 ]" 1
570 1 46 VAL H 1 64 HIS H 5.000 . 5.000 3.544 2.849 3.886 . 0 0 "[ . 1 . 2 ]" 1
571 1 46 VAL H 1 65 CYS HA 5.000 . 5.000 3.492 2.753 3.983 . 0 0 "[ . 1 . 2 ]" 1
572 1 46 VAL HA 1 46 VAL QG 3.300 . 3.300 2.127 2.061 2.330 . 0 0 "[ . 1 . 2 ]" 1
573 1 46 VAL HA 1 47 GLY H 2.700 . 2.700 2.520 2.394 2.627 . 0 0 "[ . 1 . 2 ]" 1
574 1 46 VAL HA 1 47 GLY HA3 5.000 . 5.000 4.633 4.561 4.691 . 0 0 "[ . 1 . 2 ]" 1
575 1 46 VAL HB 1 47 GLY H 5.000 . 5.000 4.458 4.403 4.716 . 0 0 "[ . 1 . 2 ]" 1
576 1 46 VAL HB 1 64 HIS H 5.000 . 5.000 5.083 4.979 5.252 0.252 9 0 "[ . 1 . 2 ]" 1
577 1 46 VAL HB 1 64 HIS HE1 6.000 . 6.000 4.180 3.149 5.573 . 0 0 "[ . 1 . 2 ]" 1
578 1 46 VAL QG 1 47 GLY H 5.000 . 5.000 3.576 3.428 3.677 . 0 0 "[ . 1 . 2 ]" 1
579 1 46 VAL QG 1 47 GLY HA3 5.000 . 5.000 4.312 3.593 4.503 . 0 0 "[ . 1 . 2 ]" 1
580 1 46 VAL QG 1 64 HIS HD2 6.000 . 6.000 4.808 2.982 5.446 . 0 0 "[ . 1 . 2 ]" 1
581 1 46 VAL QG 1 64 HIS HE1 5.000 . 5.000 3.757 2.590 4.484 . 0 0 "[ . 1 . 2 ]" 1
582 1 46 VAL QG 1 66 GLN H 5.000 . 5.000 3.541 2.959 4.074 . 0 0 "[ . 1 . 2 ]" 1
583 1 46 VAL QG 1 66 GLN HB2 5.000 . 5.000 3.350 2.354 4.024 . 0 0 "[ . 1 . 2 ]" 1
584 1 46 VAL QG 1 66 GLN HB3 5.000 . 5.000 3.300 2.132 4.927 . 0 0 "[ . 1 . 2 ]" 1
585 1 46 VAL QG 1 66 GLN HE21 6.000 . 6.000 3.937 1.441 4.967 . 0 0 "[ . 1 . 2 ]" 1
586 1 46 VAL QG 1 66 GLN HE22 6.000 . 6.000 4.231 2.335 5.736 . 0 0 "[ . 1 . 2 ]" 1
587 1 46 VAL QG 1 66 GLN QG 5.000 . 5.000 3.929 2.732 4.676 . 0 0 "[ . 1 . 2 ]" 1
588 1 47 GLY H 1 47 GLY HA3 2.700 . 2.700 2.791 2.741 2.856 0.156 12 0 "[ . 1 . 2 ]" 1
589 1 47 GLY H 1 48 SER H 6.000 . 6.000 3.879 2.622 4.074 . 0 0 "[ . 1 . 2 ]" 1
590 1 47 GLY H 1 49 SER QB 3.300 . 3.300 3.390 3.307 3.547 0.247 23 0 "[ . 1 . 2 ]" 1
591 1 47 GLY HA2 1 48 SER H 5.000 . 5.000 3.089 2.575 3.209 . 0 0 "[ . 1 . 2 ]" 1
592 1 47 GLY HA2 1 63 PRO HB2 5.000 . 5.000 4.475 4.132 4.976 . 0 0 "[ . 1 . 2 ]" 1
593 1 47 GLY HA2 1 63 PRO HB3 6.000 . 6.000 3.764 3.243 4.173 . 0 0 "[ . 1 . 2 ]" 1
594 1 47 GLY HA2 1 64 HIS H 5.000 . 5.000 5.042 4.707 5.505 0.505 12 1 "[ . 1 + . 2 ]" 1
595 1 47 GLY HA3 1 48 SER H 3.300 . 3.300 2.252 2.106 3.575 0.275 2 0 "[ . 1 . 2 ]" 1
596 1 47 GLY HA3 1 63 PRO HA 6.000 . 6.000 3.274 2.388 3.936 . 0 0 "[ . 1 . 2 ]" 1
597 1 47 GLY HA3 1 63 PRO HB2 5.000 . 5.000 2.804 2.404 3.285 . 0 0 "[ . 1 . 2 ]" 1
598 1 47 GLY HA3 1 63 PRO HB3 6.000 . 6.000 2.222 1.518 2.698 . 0 0 "[ . 1 . 2 ]" 1
599 1 48 SER H 1 48 SER HB2 3.300 . 3.300 2.857 2.416 3.568 0.268 19 0 "[ . 1 . 2 ]" 1
600 1 48 SER H 1 48 SER HB3 3.300 . 3.300 2.890 2.358 3.566 0.266 16 0 "[ . 1 . 2 ]" 1
601 1 48 SER H 1 60 THR MG 6.000 . 6.000 5.445 4.105 5.818 . 0 0 "[ . 1 . 2 ]" 1
602 1 48 SER H 1 60 THR MG 5.000 . 5.000 1.784 1.230 4.172 . 0 0 "[ . 1 . 2 ]" 1
603 1 48 SER H 1 63 PRO HB2 5.000 . 5.000 3.397 2.865 5.838 0.838 23 1 "[ . 1 . 2 + ]" 1
604 1 48 SER H 1 63 PRO HB3 6.000 . 6.000 1.818 1.232 4.432 . 0 0 "[ . 1 . 2 ]" 1
605 1 48 SER HA 1 49 SER H 2.700 . 2.700 2.567 2.442 2.669 . 0 0 "[ . 1 . 2 ]" 1
606 1 48 SER HA 1 63 PRO HG3 6.000 . 6.000 2.905 2.140 3.649 . 0 0 "[ . 1 . 2 ]" 1
607 1 48 SER HB2 1 49 SER H 5.000 . 5.000 4.494 4.333 4.671 . 0 0 "[ . 1 . 2 ]" 1
608 1 48 SER HB2 1 50 ARG H 5.000 . 5.000 4.854 3.347 5.485 0.485 7 0 "[ . 1 . 2 ]" 1
609 1 48 SER HB2 1 60 THR MG 5.000 . 5.000 3.742 2.424 4.888 . 0 0 "[ . 1 . 2 ]" 1
610 1 48 SER HB3 1 49 SER H 6.000 . 6.000 4.472 4.371 4.657 . 0 0 "[ . 1 . 2 ]" 1
611 1 48 SER HB3 1 50 ARG H 5.000 . 5.000 3.093 2.516 3.713 . 0 0 "[ . 1 . 2 ]" 1
612 1 48 SER HB3 1 50 ARG H 6.000 . 6.000 4.790 4.094 5.877 . 0 0 "[ . 1 . 2 ]" 1
613 1 48 SER HB3 1 60 THR HB 5.000 . 5.000 3.021 1.884 5.839 0.839 12 1 "[ . 1 + . 2 ]" 1
614 1 48 SER HB3 1 60 THR MG 5.000 . 5.000 3.866 1.759 5.106 0.106 9 0 "[ . 1 . 2 ]" 1
615 1 49 SER H 1 49 SER QB . . 3.300 2.304 2.226 2.438 . 0 0 "[ . 1 . 2 ]" 1
616 1 49 SER H 1 50 ARG H 3.300 . 3.300 2.786 2.547 3.312 0.012 2 0 "[ . 1 . 2 ]" 1
617 1 49 SER HA 1 50 ARG H 5.000 . 5.000 3.412 2.840 3.580 . 0 0 "[ . 1 . 2 ]" 1
618 1 49 SER QB 1 50 ARG H 6.000 . 6.000 3.177 2.527 4.057 . 0 0 "[ . 1 . 2 ]" 1
619 1 50 ARG H 1 51 SER H 5.000 . 5.000 4.399 4.190 4.539 . 0 0 "[ . 1 . 2 ]" 1
620 1 50 ARG H 1 60 THR MG 6.000 . 6.000 4.512 3.406 5.190 . 0 0 "[ . 1 . 2 ]" 1
621 1 50 ARG HA 1 51 SER H 2.700 . 2.700 2.187 2.152 2.234 . 0 0 "[ . 1 . 2 ]" 1
622 1 50 ARG HB2 1 51 SER H 5.000 . 5.000 3.728 2.908 4.200 . 0 0 "[ . 1 . 2 ]" 1
623 1 50 ARG HB3 1 51 SER H 5.000 . 5.000 3.858 2.974 4.188 . 0 0 "[ . 1 . 2 ]" 1
624 1 50 ARG HG3 1 51 SER H 5.000 . 5.000 4.100 2.855 5.476 0.476 13 0 "[ . 1 . 2 ]" 1
625 1 51 SER HA 1 52 VAL H 2.700 . 2.700 2.240 2.138 2.568 . 0 0 "[ . 1 . 2 ]" 1
626 1 51 SER HA 1 52 VAL QG 6.000 . 6.000 3.596 3.408 3.797 . 0 0 "[ . 1 . 2 ]" 1
627 1 51 SER HA 1 58 TRP HB3 6.000 . 6.000 4.305 3.447 4.686 . 0 0 "[ . 1 . 2 ]" 1
628 1 51 SER HA 1 58 TRP HB2 6.000 . 6.000 5.739 4.868 6.078 0.078 9 0 "[ . 1 . 2 ]" 1
629 1 51 SER HA 1 59 SER H 5.000 . 5.000 4.029 2.999 4.600 . 0 0 "[ . 1 . 2 ]" 1
630 1 51 SER HA 1 60 THR H 2.700 . 2.700 2.875 2.781 2.967 0.267 3 0 "[ . 1 . 2 ]" 1
631 1 51 SER HA 1 60 THR MG 5.000 . 5.000 3.529 3.072 4.098 . 0 0 "[ . 1 . 2 ]" 1
632 1 51 SER QB 1 52 VAL H 5.000 . 5.000 3.154 2.674 3.836 . 0 0 "[ . 1 . 2 ]" 1
633 1 51 SER QB 1 58 TRP HE3 5.000 . 5.000 2.644 1.740 3.335 . 0 0 "[ . 1 . 2 ]" 1
634 1 51 SER QB 1 59 SER H 6.000 . 6.000 3.954 2.859 5.163 . 0 0 "[ . 1 . 2 ]" 1
635 1 51 SER QB 1 60 THR H 5.000 . 5.000 3.081 2.553 3.592 . 0 0 "[ . 1 . 2 ]" 1
636 1 51 SER QB 1 60 THR MG 6.000 . 6.000 4.323 3.216 4.928 . 0 0 "[ . 1 . 2 ]" 1
637 1 51 SER HB2 1 58 TRP HB3 6.000 . 6.000 3.600 1.791 4.486 . 0 0 "[ . 1 . 2 ]" 1
638 1 51 SER HB2 1 58 TRP HE3 5.000 . 5.000 3.361 2.008 4.514 . 0 0 "[ . 1 . 2 ]" 1
639 1 51 SER HB2 1 60 THR MG 6.000 . 6.000 5.059 4.044 6.043 0.043 24 0 "[ . 1 . 2 ]" 1
640 1 51 SER HB3 1 58 TRP HE3 5.000 . 5.000 2.971 1.801 4.439 . 0 0 "[ . 1 . 2 ]" 1
641 1 51 SER HB3 1 60 THR MG 6.000 . 6.000 4.959 3.349 5.691 . 0 0 "[ . 1 . 2 ]" 1
642 1 52 VAL H 1 52 VAL HB 3.300 . 3.300 3.165 2.575 3.438 0.138 20 0 "[ . 1 . 2 ]" 1
643 1 52 VAL H 1 58 TRP HE3 6.000 . 6.000 3.637 2.638 4.590 . 0 0 "[ . 1 . 2 ]" 1
644 1 52 VAL H 1 59 SER H 5.000 . 5.000 2.568 1.348 3.577 . 0 0 "[ . 1 . 2 ]" 1
645 1 52 VAL H 1 59 SER QB 5.000 . 5.000 2.379 1.762 3.754 . 0 0 "[ . 1 . 2 ]" 1
646 1 52 VAL HA 1 53 CYS H 2.700 . 2.700 2.157 2.136 2.189 . 0 0 "[ . 1 . 2 ]" 1
647 1 52 VAL HA 1 53 CYS HB3 6.000 . 6.000 4.709 4.427 5.708 . 0 0 "[ . 1 . 2 ]" 1
648 1 52 VAL HA 1 58 TRP HE3 6.000 . 6.000 3.501 2.459 4.566 . 0 0 "[ . 1 . 2 ]" 1
649 1 52 VAL HA 1 58 TRP HZ3 5.000 . 5.000 3.748 1.673 4.985 . 0 0 "[ . 1 . 2 ]" 1
650 1 52 VAL HB 1 53 CYS H 5.000 . 5.000 4.128 4.046 4.184 . 0 0 "[ . 1 . 2 ]" 1
651 1 52 VAL HB 1 59 SER H 6.000 . 6.000 5.090 3.501 5.588 . 0 0 "[ . 1 . 2 ]" 1
652 1 52 VAL HB 1 59 SER QB 5.000 . 5.000 4.150 2.653 4.886 . 0 0 "[ . 1 . 2 ]" 1
653 1 52 VAL QG 1 53 CYS H . . 3.300 2.427 2.072 2.652 . 0 0 "[ . 1 . 2 ]" 1
654 1 52 VAL QG 1 53 CYS HA 5.000 . 5.000 2.087 1.459 3.024 . 0 0 "[ . 1 . 2 ]" 1
655 1 52 VAL QG 1 54 SER H 6.000 . 6.000 4.174 2.513 4.636 . 0 0 "[ . 1 . 2 ]" 1
656 1 52 VAL QG 1 54 SER HB2 . . 5.000 3.773 3.042 4.757 . 0 0 "[ . 1 . 2 ]" 1
657 1 52 VAL QG 1 54 SER HB3 . . 5.000 4.029 2.491 4.721 . 0 0 "[ . 1 . 2 ]" 1
658 1 52 VAL QG 1 59 SER H 6.000 . 6.000 3.045 2.376 4.198 . 0 0 "[ . 1 . 2 ]" 1
659 1 52 VAL QG 1 59 SER QB 5.000 . 5.000 2.119 1.462 3.150 . 0 0 "[ . 1 . 2 ]" 1
660 1 53 CYS H 1 53 CYS HB3 3.300 . 3.300 2.590 2.353 3.597 0.297 2 0 "[ . 1 . 2 ]" 1
661 1 53 CYS H 1 58 TRP HE3 6.000 . 6.000 3.680 2.749 4.918 . 0 0 "[ . 1 . 2 ]" 1
662 1 53 CYS H 1 58 TRP HZ3 5.000 . 5.000 3.650 2.278 4.953 . 0 0 "[ . 1 . 2 ]" 1
663 1 53 CYS HA 1 54 SER H 2.700 . 2.700 2.283 2.163 2.711 0.011 9 0 "[ . 1 . 2 ]" 1
664 1 53 CYS HA 1 54 SER HB2 6.000 . 6.000 4.337 3.645 5.262 . 0 0 "[ . 1 . 2 ]" 1
665 1 53 CYS HA 1 54 SER HB3 6.000 . 6.000 4.472 3.753 5.436 . 0 0 "[ . 1 . 2 ]" 1
666 1 53 CYS HA 1 57 GLN QG 6.000 . 6.000 4.683 3.943 6.152 0.152 15 0 "[ . 1 . 2 ]" 1
667 1 53 CYS HA 1 58 TRP HA 3.300 . 3.300 2.632 1.897 3.137 . 0 0 "[ . 1 . 2 ]" 1
668 1 53 CYS HA 1 58 TRP HB3 6.000 . 6.000 3.768 3.384 4.063 . 0 0 "[ . 1 . 2 ]" 1
669 1 53 CYS HA 1 58 TRP HE3 5.000 . 5.000 3.932 3.199 4.915 . 0 0 "[ . 1 . 2 ]" 1
670 1 53 CYS HA 1 59 SER H 5.000 . 5.000 3.895 2.860 4.521 . 0 0 "[ . 1 . 2 ]" 1
671 1 53 CYS HB2 1 54 SER H 6.000 . 6.000 4.066 3.599 4.667 . 0 0 "[ . 1 . 2 ]" 1
672 1 53 CYS HB2 1 58 TRP HE3 6.000 . 6.000 4.026 2.928 5.982 . 0 0 "[ . 1 . 2 ]" 1
673 1 54 SER H 1 57 GLN H 5.000 . 5.000 3.548 2.447 5.010 0.010 21 0 "[ . 1 . 2 ]" 1
674 1 54 SER H 1 58 TRP HA 5.000 . 5.000 3.831 2.897 4.924 . 0 0 "[ . 1 . 2 ]" 1
675 1 54 SER HA 1 55 GLN H 3.300 . 3.300 2.815 2.147 3.541 0.241 17 0 "[ . 1 . 2 ]" 1
676 1 54 SER HB2 1 55 GLN H 6.000 . 6.000 3.571 1.801 4.628 . 0 0 "[ . 1 . 2 ]" 1
677 1 54 SER HB3 1 55 GLN H 6.000 . 6.000 3.293 1.815 4.471 . 0 0 "[ . 1 . 2 ]" 1
678 1 55 GLN H 1 55 GLN HG2 5.000 . 5.000 3.902 2.048 5.241 0.241 18 0 "[ . 1 . 2 ]" 1
679 1 55 GLN H 1 55 GLN HG3 5.000 . 5.000 3.718 2.018 4.888 . 0 0 "[ . 1 . 2 ]" 1
680 1 55 GLN H 1 56 GLY H 5.000 . 5.000 2.961 2.021 4.636 . 0 0 "[ . 1 . 2 ]" 1
681 1 55 GLN HA 1 56 GLY H 5.000 . 5.000 3.000 2.491 3.568 . 0 0 "[ . 1 . 2 ]" 1
682 1 55 GLN HB2 1 55 GLN HG2 2.700 . 2.700 2.851 2.417 3.011 0.311 4 0 "[ . 1 . 2 ]" 1
683 1 56 GLY H 1 56 GLY HA2 2.700 . 2.700 2.520 2.294 2.949 0.249 9 0 "[ . 1 . 2 ]" 1
684 1 56 GLY H 1 57 GLN H 5.000 . 5.000 2.772 1.895 4.192 . 0 0 "[ . 1 . 2 ]" 1
685 1 56 GLY HA2 1 57 GLN H 5.000 . 5.000 2.941 2.232 3.568 . 0 0 "[ . 1 . 2 ]" 1
686 1 56 GLY HA3 1 57 GLN H 5.000 . 5.000 3.335 2.683 3.557 . 0 0 "[ . 1 . 2 ]" 1
687 1 57 GLN H 1 57 GLN QG 5.000 . 5.000 3.424 1.878 4.527 . 0 0 "[ . 1 . 2 ]" 1
688 1 57 GLN HA 1 58 TRP H 2.700 . 2.700 2.263 2.178 2.935 0.235 4 0 "[ . 1 . 2 ]" 1
689 1 57 GLN HA 1 58 TRP HB2 6.000 . 6.000 4.726 4.515 4.890 . 0 0 "[ . 1 . 2 ]" 1
690 1 57 GLN HA 1 58 TRP HB3 6.000 . 6.000 5.702 5.663 5.762 . 0 0 "[ . 1 . 2 ]" 1
691 1 57 GLN HB2 1 58 TRP H 5.000 . 5.000 3.660 2.595 4.137 . 0 0 "[ . 1 . 2 ]" 1
692 1 58 TRP H 1 58 TRP HB2 3.300 . 3.300 2.542 2.328 2.871 . 0 0 "[ . 1 . 2 ]" 1
693 1 58 TRP H 1 58 TRP HD1 5.000 . 5.000 2.282 1.933 3.434 . 0 0 "[ . 1 . 2 ]" 1
694 1 58 TRP HA 1 58 TRP HE3 5.000 . 5.000 3.476 2.375 3.958 . 0 0 "[ . 1 . 2 ]" 1
695 1 58 TRP HA 1 59 SER H 2.700 . 2.700 2.231 2.163 2.325 . 0 0 "[ . 1 . 2 ]" 1
696 1 58 TRP HB2 1 59 SER H 5.000 . 5.000 3.926 3.758 4.121 . 0 0 "[ . 1 . 2 ]" 1
697 1 58 TRP HB2 1 60 THR H 5.000 . 5.000 4.118 3.294 4.492 . 0 0 "[ . 1 . 2 ]" 1
698 1 58 TRP HB3 1 59 SER H 5.000 . 5.000 2.915 2.611 3.181 . 0 0 "[ . 1 . 2 ]" 1
699 1 58 TRP HB3 1 60 THR H 5.000 . 5.000 3.428 2.931 3.877 . 0 0 "[ . 1 . 2 ]" 1
700 1 58 TRP HE3 1 59 SER H 5.000 . 5.000 3.975 2.654 4.536 . 0 0 "[ . 1 . 2 ]" 1
701 1 59 SER H 1 60 THR H 5.000 . 5.000 3.014 2.876 3.130 . 0 0 "[ . 1 . 2 ]" 1
702 1 59 SER H 1 60 THR MG 6.000 . 6.000 4.914 4.568 5.176 . 0 0 "[ . 1 . 2 ]" 1
703 1 59 SER HA 1 60 THR H 5.000 . 5.000 3.579 3.536 3.595 . 0 0 "[ . 1 . 2 ]" 1
704 1 59 SER QB 1 60 THR H 5.000 . 5.000 2.420 2.101 3.359 . 0 0 "[ . 1 . 2 ]" 1
705 1 59 SER QB 1 60 THR MG 5.000 . 5.000 2.981 2.632 3.287 . 0 0 "[ . 1 . 2 ]" 1
706 1 60 THR HA 1 60 THR MG 3.300 . 3.300 2.376 2.155 3.180 . 0 0 "[ . 1 . 2 ]" 1
707 1 60 THR HA 1 61 PRO HD2 3.300 . 3.300 2.455 2.067 2.800 . 0 0 "[ . 1 . 2 ]" 1
708 1 60 THR HA 1 61 PRO HD3 2.700 . 2.700 2.089 1.799 2.471 . 0 0 "[ . 1 . 2 ]" 1
709 1 60 THR HA 1 61 PRO HG2 6.000 . 6.000 4.383 4.258 4.493 . 0 0 "[ . 1 . 2 ]" 1
710 1 60 THR HA 1 61 PRO HG3 6.000 . 6.000 4.203 3.946 4.507 . 0 0 "[ . 1 . 2 ]" 1
711 1 60 THR HB 1 61 PRO HD2 3.300 . 3.300 2.765 2.226 3.456 0.156 12 0 "[ . 1 . 2 ]" 1
712 1 60 THR HB 1 61 PRO HD3 5.000 . 5.000 3.726 3.229 4.143 . 0 0 "[ . 1 . 2 ]" 1
713 1 60 THR MG 1 61 PRO HD2 5.000 . 5.000 3.580 3.083 4.160 . 0 0 "[ . 1 . 2 ]" 1
714 1 60 THR MG 1 61 PRO HD3 5.000 . 5.000 3.929 3.424 4.534 . 0 0 "[ . 1 . 2 ]" 1
715 1 61 PRO HA 1 62 LYS H 2.700 . 2.700 2.458 2.186 2.839 0.139 20 0 "[ . 1 . 2 ]" 1
716 1 61 PRO HB2 1 62 LYS H 5.000 . 5.000 2.819 1.700 3.707 . 0 0 "[ . 1 . 2 ]" 1
717 1 61 PRO HB3 1 62 LYS H 5.000 . 5.000 3.150 2.396 3.819 . 0 0 "[ . 1 . 2 ]" 1
718 1 62 LYS H 1 62 LYS HB2 3.300 . 3.300 2.499 2.257 2.787 . 0 0 "[ . 1 . 2 ]" 1
719 1 62 LYS HA 1 63 PRO HD2 3.300 . 3.300 2.310 2.118 2.851 . 0 0 "[ . 1 . 2 ]" 1
720 1 62 LYS HA 1 63 PRO HD3 3.300 . 3.300 2.151 1.719 2.342 . 0 0 "[ . 1 . 2 ]" 1
721 1 62 LYS HA 1 63 PRO HG2 6.000 . 6.000 4.384 4.299 4.476 . 0 0 "[ . 1 . 2 ]" 1
722 1 62 LYS HA 1 63 PRO HG3 5.000 . 5.000 4.297 3.794 4.394 . 0 0 "[ . 1 . 2 ]" 1
723 1 62 LYS HG2 1 63 PRO HD2 6.000 . 6.000 3.553 2.492 5.365 . 0 0 "[ . 1 . 2 ]" 1
724 1 62 LYS HG2 1 63 PRO HD3 5.000 . 5.000 4.362 3.885 5.176 0.176 2 0 "[ . 1 . 2 ]" 1
725 1 62 LYS HG3 1 63 PRO HD3 5.000 . 5.000 4.643 3.597 5.774 0.774 2 5 "[-+ . * 1 * . * 2 ]" 1
726 1 63 PRO HA 1 64 HIS H 5.000 . 5.000 2.917 2.785 3.031 . 0 0 "[ . 1 . 2 ]" 1
727 1 63 PRO HB2 1 64 HIS H 5.000 . 5.000 1.592 1.451 1.765 . 0 0 "[ . 1 . 2 ]" 1
728 1 63 PRO HB3 1 64 HIS H 3.300 . 3.300 3.068 2.641 3.179 . 0 0 "[ . 1 . 2 ]" 1
729 1 63 PRO HG2 1 64 HIS H 6.000 . 6.000 3.319 2.962 4.030 . 0 0 "[ . 1 . 2 ]" 1
730 1 64 HIS HA 1 65 CYS H 2.700 . 2.700 2.245 2.142 2.315 . 0 0 "[ . 1 . 2 ]" 1
731 1 64 HIS QB 1 65 CYS H 3.300 . 3.300 2.845 2.606 3.196 . 0 0 "[ . 1 . 2 ]" 1
732 1 64 HIS HD2 1 66 GLN HA 6.000 . 6.000 4.802 4.373 5.332 . 0 0 "[ . 1 . 2 ]" 1
733 1 64 HIS HD2 1 66 GLN HB2 6.000 . 6.000 4.228 3.496 5.778 . 0 0 "[ . 1 . 2 ]" 1
734 1 64 HIS HD2 1 66 GLN HB3 6.000 . 6.000 5.530 5.078 5.969 . 0 0 "[ . 1 . 2 ]" 1
735 1 64 HIS HD2 1 66 GLN QG 6.000 . 6.000 4.773 2.472 5.929 . 0 0 "[ . 1 . 2 ]" 1
736 1 65 CYS H 1 65 CYS HB2 3.300 . 3.300 2.500 2.393 2.783 . 0 0 "[ . 1 . 2 ]" 1
737 1 65 CYS H 1 66 GLN H 6.000 . 6.000 4.502 4.472 4.547 . 0 0 "[ . 1 . 2 ]" 1
738 1 65 CYS HA 1 66 GLN H 2.700 . 2.700 2.171 2.146 2.223 . 0 0 "[ . 1 . 2 ]" 1
739 1 65 CYS HB2 1 66 GLN H 6.000 . 6.000 4.162 4.016 4.270 . 0 0 "[ . 1 . 2 ]" 1
740 1 65 CYS HB3 1 66 GLN H 5.000 . 5.000 3.292 2.998 4.081 . 0 0 "[ . 1 . 2 ]" 1
741 1 66 GLN H 1 66 GLN HB3 3.300 . 3.300 2.800 2.467 3.791 0.491 3 0 "[ . 1 . 2 ]" 1
742 1 66 GLN HA 1 67 VAL H 2.700 . 2.700 2.211 2.167 2.260 . 0 0 "[ . 1 . 2 ]" 1
743 1 66 GLN HA 1 67 VAL HA 6.000 . 6.000 4.341 4.317 4.361 . 0 0 "[ . 1 . 2 ]" 1
744 1 66 GLN HA 1 67 VAL HB 5.000 . 5.000 4.592 4.468 4.802 . 0 0 "[ . 1 . 2 ]" 1
745 1 66 GLN HA 1 67 VAL MG1 5.000 . 5.000 4.237 3.682 5.519 0.519 10 2 "[ . + . - 2 ]" 1
746 1 66 GLN HB2 1 67 VAL H 5.000 . 5.000 4.072 3.934 4.158 . 0 0 "[ . 1 . 2 ]" 1
747 1 66 GLN HB3 1 67 VAL H 5.000 . 5.000 3.802 2.799 4.145 . 0 0 "[ . 1 . 2 ]" 1
748 1 66 GLN HE21 1 67 VAL MG1 6.000 . 6.000 4.968 1.441 6.922 0.922 11 3 "[ . 1+ .* -2 ]" 1
749 1 66 GLN QG 1 67 VAL H 5.000 . 5.000 2.910 2.297 4.424 . 0 0 "[ . 1 . 2 ]" 1
750 1 66 GLN QG 1 67 VAL MG1 5.000 . 5.000 3.953 2.841 5.130 0.130 3 0 "[ . 1 . 2 ]" 1
751 1 67 VAL H 1 67 VAL HB 2.700 . 2.700 2.656 2.489 2.757 0.057 18 0 "[ . 1 . 2 ]" 1
752 1 67 VAL H 1 67 VAL MG1 3.300 . 3.300 2.436 1.815 3.769 0.469 19 0 "[ . 1 . 2 ]" 1
753 1 67 VAL H 1 68 ASN H 5.000 . 5.000 4.294 3.268 4.574 . 0 0 "[ . 1 . 2 ]" 1
754 1 67 VAL HA 1 67 VAL MG2 3.300 . 3.300 2.357 2.248 2.473 . 0 0 "[ . 1 . 2 ]" 1
755 1 67 VAL HA 1 68 ASN H 2.700 . 2.700 2.253 2.136 2.725 0.025 15 0 "[ . 1 . 2 ]" 1
756 1 67 VAL HB 1 68 ASN H 5.000 . 5.000 4.292 4.112 4.637 . 0 0 "[ . 1 . 2 ]" 1
757 1 67 VAL MG2 1 68 ASN H 5.000 . 5.000 3.089 2.167 4.338 . 0 0 "[ . 1 . 2 ]" 1
758 1 68 ASN H 1 68 ASN HB3 3.300 . 3.300 3.118 2.433 4.099 0.799 19 4 "[ * . 1 - +2 * ]" 1
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