NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655736 |
6vy7   |
30728 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6vy7
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 3
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 CYS SG 1 22 CYS SG 2.020 . 2.120 2.030 2.027 2.032 . 0 0 "[ . 1 . 2]" 1
2 1 3 CYS SG 1 19 CYS SG 2.020 . 2.120 2.032 2.029 2.034 . 0 0 "[ . 1 . 2]" 1
3 1 9 CYS SG 1 21 CYS SG 2.020 . 2.120 2.042 2.039 2.048 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 417
_Distance_constraint_stats_list.Viol_count 526
_Distance_constraint_stats_list.Viol_total 1902.786
_Distance_constraint_stats_list.Viol_max 0.908
_Distance_constraint_stats_list.Viol_rms 0.0583
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0114
_Distance_constraint_stats_list.Viol_average_violations_only 0.1809
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 5.128 0.575 18 2 "[ -. 1 . + 2]"
1 2 CYS 3.106 0.459 11 0 "[ . 1 . 2]"
1 3 CYS 9.819 0.459 11 0 "[ . 1 . 2]"
1 4 GLY 24.225 0.908 11 17 "[ ******* *+***** **-]"
1 5 GLU 0.947 0.326 4 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 10.905 0.718 7 14 "[ ** *-+* * ***** **2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 6.450 0.349 14 0 "[ . 1 . 2]"
1 10 PRO 3.717 0.306 14 0 "[ . 1 . 2]"
1 11 LYS 7.749 0.468 8 0 "[ . 1 . 2]"
1 12 TYR 9.971 0.456 4 0 "[ . 1 . 2]"
1 13 PHE 3.468 0.259 10 0 "[ . 1 . 2]"
1 14 ARG 4.551 0.344 13 0 "[ . 1 . 2]"
1 15 ASN 6.675 0.223 17 0 "[ . 1 . 2]"
1 16 SER 11.782 0.456 4 0 "[ . 1 . 2]"
1 17 GLN 0.857 0.352 19 0 "[ . 1 . 2]"
1 18 ILE 14.746 0.468 8 0 "[ . 1 . 2]"
1 19 CYS 6.851 0.617 4 3 "[ - +. 1 . * 2]"
1 20 HIS 13.507 0.617 4 2 "[ - +. 1 . 2]"
1 21 CYS 17.916 0.487 20 0 "[ . 1 . 2]"
1 22 CYS 12.080 0.908 11 4 "[ *. 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 12 TYR QD 1 17 GLN HG3 2.956 . 4.048 2.388 2.195 2.867 . 0 0 "[ . 1 . 2]" 2
2 1 11 LYS H 1 11 LYS HG3 3.451 . 4.940 2.962 2.719 3.666 . 0 0 "[ . 1 . 2]" 2
3 1 3 CYS H 1 19 CYS HA 3.601 . 5.222 4.499 4.349 4.585 . 0 0 "[ . 1 . 2]" 2
4 1 10 PRO HA 1 12 TYR QE 3.301 . 4.663 4.120 3.918 4.253 . 0 0 "[ . 1 . 2]" 2
5 1 5 GLU HA 1 7 SER H 2.524 . 3.320 2.844 2.747 2.952 . 0 0 "[ . 1 . 2]" 2
6 1 13 PHE QD 1 16 SER QB 3.672 . 5.358 3.974 3.690 4.213 . 0 0 "[ . 1 . 2]" 2
7 1 10 PRO HD3 1 21 CYS H 2.888 . 3.931 3.199 3.139 3.282 . 0 0 "[ . 1 . 2]" 2
8 1 10 PRO HD3 1 12 TYR QD 4.151 . 6.305 5.391 4.581 5.600 . 0 0 "[ . 1 . 2]" 2
9 1 21 CYS H 1 21 CYS HB3 2.494 . 3.271 2.996 2.712 3.093 . 0 0 "[ . 1 . 2]" 2
10 1 13 PHE HB3 1 13 PHE QD 2.148 . 2.725 2.212 2.003 2.401 . 0 0 "[ . 1 . 2]" 2
11 1 12 TYR H 1 12 TYR QE 3.394 . 4.834 4.773 4.709 4.817 . 0 0 "[ . 1 . 2]" 2
12 1 13 PHE H 1 16 SER HB2 3.089 . 4.282 3.031 2.900 3.173 . 0 0 "[ . 1 . 2]" 2
13 1 14 ARG QD 1 15 ASN H 2.728 . 3.658 3.076 2.664 3.217 . 0 0 "[ . 1 . 2]" 2
14 1 2 CYS HB3 1 20 HIS HE1 3.402 . 4.849 4.735 4.641 4.876 0.027 10 0 "[ . 1 . 2]" 2
15 1 19 CYS HB3 1 20 HIS HD2 3.899 . 5.799 5.363 4.929 5.508 . 0 0 "[ . 1 . 2]" 2
16 1 12 TYR QB 1 12 TYR QD 2.004 . 2.506 2.128 2.119 2.151 . 0 0 "[ . 1 . 2]" 2
17 1 12 TYR QD 1 15 ASN HB3 3.367 . 4.784 3.808 3.452 3.892 . 0 0 "[ . 1 . 2]" 2
18 1 5 GLU QB 1 6 GLY H 2.583 . 3.417 2.451 2.357 2.662 . 0 0 "[ . 1 . 2]" 2
19 1 11 LYS HG3 1 12 TYR H 3.592 . 5.205 4.019 3.955 4.111 . 0 0 "[ . 1 . 2]" 2
20 1 11 LYS HB2 1 18 ILE H 3.140 . 4.372 3.652 3.564 3.759 . 0 0 "[ . 1 . 2]" 2
21 1 17 GLN HB2 1 18 ILE H 3.172 . 4.430 3.427 3.208 3.576 . 0 0 "[ . 1 . 2]" 2
22 1 10 PRO HB2 1 12 TYR QD 3.434 . 4.908 2.929 2.727 3.334 . 0 0 "[ . 1 . 2]" 2
23 1 12 TYR HA 1 12 TYR QB 2.324 . 2.999 2.423 2.406 2.438 . 0 0 "[ . 1 . 2]" 2
24 1 2 CYS HA 1 3 CYS HB3 3.019 . 4.158 4.297 4.133 4.617 0.459 11 0 "[ . 1 . 2]" 2
25 1 5 GLU QB 1 22 CYS HB3 2.512 . 3.301 2.690 2.520 2.872 . 0 0 "[ . 1 . 2]" 2
26 1 16 SER QB 1 18 ILE MG 3.393 . 4.832 3.292 3.062 3.451 . 0 0 "[ . 1 . 2]" 2
27 1 3 CYS HB3 1 11 LYS HG3 3.404 . 4.852 3.431 3.145 3.599 . 0 0 "[ . 1 . 2]" 2
28 1 9 CYS HB2 1 11 LYS HG3 3.085 . 4.275 4.021 3.752 4.534 0.259 10 0 "[ . 1 . 2]" 2
29 1 12 TYR QB 1 18 ILE MG 3.349 . 4.751 4.781 4.709 4.837 0.086 11 0 "[ . 1 . 2]" 2
30 1 11 LYS HB2 1 11 LYS HG3 2.560 . 3.379 2.104 2.049 2.176 . 0 0 "[ . 1 . 2]" 2
31 1 11 LYS HB3 1 11 LYS HG3 2.277 . 2.925 2.646 2.282 2.777 . 0 0 "[ . 1 . 2]" 2
32 1 11 LYS QD 1 11 LYS HE3 2.455 . 3.208 2.128 2.021 2.263 . 0 0 "[ . 1 . 2]" 2
33 1 13 PHE HB3 1 15 ASN H 2.759 . 3.711 3.092 2.677 3.225 . 0 0 "[ . 1 . 2]" 2
34 1 10 PRO HG2 1 12 TYR QD 3.649 . 5.313 3.122 2.800 3.434 . 0 0 "[ . 1 . 2]" 2
35 1 11 LYS HE3 1 18 ILE MD 2.696 . 3.604 3.166 2.535 3.647 0.043 2 0 "[ . 1 . 2]" 2
36 1 12 TYR QB 1 18 ILE MD 3.985 . 5.970 4.695 4.640 4.781 . 0 0 "[ . 1 . 2]" 2
37 1 16 SER QB 1 18 ILE MD 3.642 . 5.300 5.359 5.151 5.556 0.256 2 0 "[ . 1 . 2]" 2
38 1 16 SER HB3 1 18 ILE MD 3.916 . 5.832 4.844 4.686 4.986 . 0 0 "[ . 1 . 2]" 2
39 1 3 CYS HB2 1 4 GLY HA3 3.298 . 4.658 3.519 3.346 3.638 . 0 0 "[ . 1 . 2]" 2
40 1 3 CYS H 1 3 CYS HB3 2.588 . 3.425 3.529 3.493 3.561 0.136 14 0 "[ . 1 . 2]" 2
41 1 5 GLU HA 1 5 GLU QG 2.568 . 3.392 2.960 2.437 3.099 . 0 0 "[ . 1 . 2]" 2
42 1 12 TYR QD 1 15 ASN HB2 3.002 . 4.129 3.671 3.428 3.914 . 0 0 "[ . 1 . 2]" 2
43 1 12 TYR QE 1 17 GLN HB2 2.666 . 3.555 2.452 2.384 2.506 . 0 0 "[ . 1 . 2]" 2
44 1 1 MET ME 1 20 HIS H 3.557 . 5.139 5.134 4.929 5.376 0.237 10 0 "[ . 1 . 2]" 2
45 1 12 TYR QB 1 12 TYR QE 3.140 . 4.372 3.926 3.921 3.937 . 0 0 "[ . 1 . 2]" 2
46 1 11 LYS H 1 11 LYS HB3 2.919 . 3.984 3.223 3.120 3.332 . 0 0 "[ . 1 . 2]" 2
47 1 3 CYS HB2 1 10 PRO HA 2.944 . 4.028 2.970 2.705 3.165 . 0 0 "[ . 1 . 2]" 2
48 1 1 MET QB 1 3 CYS H 4.361 . 6.738 5.338 5.161 5.506 . 0 0 "[ . 1 . 2]" 2
49 1 12 TYR QD 1 14 ARG HB3 4.097 . 6.195 5.688 4.666 5.984 . 0 0 "[ . 1 . 2]" 2
50 1 11 LYS HA 1 12 TYR QD 3.105 . 4.310 2.897 2.783 3.020 . 0 0 "[ . 1 . 2]" 2
51 1 2 CYS HA 1 3 CYS HB2 2.901 . 3.953 3.553 3.412 3.674 . 0 0 "[ . 1 . 2]" 2
52 1 13 PHE QD 1 14 ARG HB3 3.744 . 5.496 4.287 4.155 4.444 . 0 0 "[ . 1 . 2]" 2
53 1 14 ARG HB3 1 14 ARG QD 2.685 . 3.586 2.949 2.446 3.183 . 0 0 "[ . 1 . 2]" 2
54 1 10 PRO HA 1 11 LYS HG3 4.447 . 6.919 3.861 3.500 5.094 . 0 0 "[ . 1 . 2]" 2
55 1 13 PHE HB3 1 16 SER H 2.837 . 3.843 3.510 3.342 3.618 . 0 0 "[ . 1 . 2]" 2
56 1 12 TYR QD 1 17 GLN HG3 3.036 . 4.188 2.470 2.280 2.942 . 0 0 "[ . 1 . 2]" 2
57 1 10 PRO HG3 1 12 TYR QD 3.873 . 5.748 4.056 3.527 4.830 . 0 0 "[ . 1 . 2]" 2
58 1 17 GLN HB2 1 17 GLN HE22 3.476 . 4.987 3.425 3.290 3.743 . 0 0 "[ . 1 . 2]" 2
59 1 12 TYR QB 1 15 ASN HD21 3.587 . 5.196 4.076 3.609 5.071 . 0 0 "[ . 1 . 2]" 2
60 1 13 PHE H 1 16 SER HB3 2.944 . 4.028 2.681 2.642 2.711 . 0 0 "[ . 1 . 2]" 2
61 1 13 PHE HB3 1 16 SER QB 3.425 . 4.892 2.849 2.680 3.095 . 0 0 "[ . 1 . 2]" 2
62 1 13 PHE HB2 1 16 SER QB 3.827 . 5.657 4.261 4.080 4.485 . 0 0 "[ . 1 . 2]" 2
63 1 13 PHE H 1 16 SER HB2 3.523 . 5.075 2.609 2.559 2.659 . 0 0 "[ . 1 . 2]" 2
64 1 12 TYR H 1 12 TYR HB3 2.846 . 3.858 3.419 3.396 3.445 . 0 0 "[ . 1 . 2]" 2
65 1 3 CYS HB3 1 4 GLY HA3 3.916 . 5.832 4.400 4.336 4.591 . 0 0 "[ . 1 . 2]" 2
66 1 3 CYS HB3 1 4 GLY HA2 3.554 . 5.133 4.523 4.340 4.598 . 0 0 "[ . 1 . 2]" 2
67 1 2 CYS HB3 1 4 GLY HA3 3.966 . 5.932 5.092 4.846 5.233 . 0 0 "[ . 1 . 2]" 2
68 1 3 CYS HB2 1 11 LYS HG3 3.812 . 5.629 3.532 3.049 4.344 . 0 0 "[ . 1 . 2]" 2
69 1 7 SER H 1 8 SER QB 4.274 . 6.557 5.252 5.042 5.829 . 0 0 "[ . 1 . 2]" 2
70 1 9 CYS H 1 9 CYS HB3 3.158 . 4.405 3.139 3.050 3.209 . 0 0 "[ . 1 . 2]" 2
71 1 5 GLU QG 1 6 GLY H 2.968 . 4.069 3.460 2.665 3.787 . 0 0 "[ . 1 . 2]" 2
72 1 10 PRO HG3 1 12 TYR QD 3.493 . 5.018 4.966 4.775 5.143 0.125 19 0 "[ . 1 . 2]" 2
73 1 10 PRO HG3 1 21 CYS H 3.463 . 4.962 5.071 4.897 5.268 0.306 14 0 "[ . 1 . 2]" 2
74 1 1 MET QB 1 2 CYS H 2.965 . 4.064 3.889 3.829 3.953 . 0 0 "[ . 1 . 2]" 2
75 1 10 PRO HG3 1 12 TYR QE 2.846 . 3.858 3.170 2.963 3.423 . 0 0 "[ . 1 . 2]" 2
76 1 10 PRO HB2 1 21 CYS H 3.716 . 5.442 5.016 4.866 5.166 . 0 0 "[ . 1 . 2]" 2
77 1 10 PRO HB2 1 11 LYS H 2.453 . 3.205 2.904 2.614 3.232 0.027 14 0 "[ . 1 . 2]" 2
78 1 10 PRO HB2 1 12 TYR QD 3.016 . 4.153 3.304 3.166 3.479 . 0 0 "[ . 1 . 2]" 2
79 1 10 PRO HB2 1 12 TYR QE 2.611 . 3.463 2.203 2.064 2.380 . 0 0 "[ . 1 . 2]" 2
80 1 10 PRO HG2 1 12 TYR QD 2.936 . 4.013 3.530 3.379 3.741 . 0 0 "[ . 1 . 2]" 2
81 1 10 PRO HG2 1 12 TYR QE 2.450 . 3.200 2.375 2.020 2.611 . 0 0 "[ . 1 . 2]" 2
82 1 11 LYS H 1 11 LYS HB2 2.651 . 3.529 2.588 2.489 2.665 . 0 0 "[ . 1 . 2]" 2
83 1 12 TYR QE 1 17 GLN HB2 2.526 . 3.324 2.815 2.560 2.972 . 0 0 "[ . 1 . 2]" 2
84 1 12 TYR QD 1 17 GLN HB2 2.844 . 3.855 3.732 3.627 3.889 0.034 13 0 "[ . 1 . 2]" 2
85 1 17 GLN HE22 1 17 GLN HG3 3.467 . 4.970 3.665 3.515 4.042 . 0 0 "[ . 1 . 2]" 2
86 1 14 ARG HB3 1 15 ASN H 2.332 . 3.012 2.526 2.365 2.699 . 0 0 "[ . 1 . 2]" 2
87 1 14 ARG HB2 1 14 ARG HE 3.569 . 5.162 3.718 2.594 4.483 . 0 0 "[ . 1 . 2]" 2
88 1 14 ARG HB2 1 15 ASN H 2.427 . 3.163 2.164 1.979 2.380 . 0 0 "[ . 1 . 2]" 2
89 1 13 PHE QE 1 14 ARG HB2 3.795 . 5.596 4.330 4.112 4.596 . 0 0 "[ . 1 . 2]" 2
90 1 13 PHE QD 1 14 ARG HB2 3.149 . 4.388 2.798 2.596 3.104 . 0 0 "[ . 1 . 2]" 2
91 1 11 LYS H 1 11 LYS HG2 3.248 . 4.567 3.818 2.883 4.061 . 0 0 "[ . 1 . 2]" 2
92 1 13 PHE QD 1 14 ARG HG2 3.585 . 5.191 4.150 3.687 4.592 . 0 0 "[ . 1 . 2]" 2
93 1 14 ARG HE 1 14 ARG HG2 3.406 . 4.856 3.052 2.455 3.706 . 0 0 "[ . 1 . 2]" 2
94 1 18 ILE H 1 18 ILE HG12 2.712 . 3.631 2.002 1.954 2.048 . 0 0 "[ . 1 . 2]" 2
95 1 13 PHE QE 1 14 ARG HG3 3.691 . 5.394 4.077 2.948 5.169 . 0 0 "[ . 1 . 2]" 2
96 1 13 PHE QD 1 14 ARG HG3 3.504 . 5.038 3.835 2.662 4.890 . 0 0 "[ . 1 . 2]" 2
97 1 3 CYS H 1 3 CYS HB2 2.110 . 2.667 2.448 2.319 2.918 0.251 20 0 "[ . 1 . 2]" 2
98 1 3 CYS HB2 1 4 GLY H 2.841 . 3.850 3.894 2.968 4.162 0.312 14 0 "[ . 1 . 2]" 2
99 1 19 CYS HB2 1 20 HIS H 2.334 . 3.015 2.375 2.259 2.537 . 0 0 "[ . 1 . 2]" 2
100 1 21 CYS H 1 21 CYS HB2 2.164 . 2.750 2.273 2.247 2.300 . 0 0 "[ . 1 . 2]" 2
101 1 2 CYS H 1 2 CYS HB2 2.414 . 3.143 2.362 2.319 2.396 . 0 0 "[ . 1 . 2]" 2
102 1 2 CYS HB2 1 3 CYS H 3.077 . 4.261 4.241 4.164 4.312 0.051 17 0 "[ . 1 . 2]" 2
103 1 10 PRO HB3 1 11 LYS H 3.033 . 4.183 3.736 3.569 3.904 . 0 0 "[ . 1 . 2]" 2
104 1 10 PRO HB3 1 17 GLN HE22 4.037 . 6.074 3.784 3.623 4.032 . 0 0 "[ . 1 . 2]" 2
105 1 10 PRO HB3 1 12 TYR QE 3.508 . 5.047 3.618 3.437 3.880 . 0 0 "[ . 1 . 2]" 2
106 1 1 MET HG3 1 2 CYS H 3.346 . 4.746 3.600 3.158 4.003 . 0 0 "[ . 1 . 2]" 2
107 1 10 PRO HB2 1 17 GLN HE22 3.944 . 5.888 4.142 4.009 4.450 . 0 0 "[ . 1 . 2]" 2
108 1 5 GLU QB 1 7 SER H 4.061 . 6.122 4.513 4.407 4.765 . 0 0 "[ . 1 . 2]" 2
109 1 12 TYR QD 1 18 ILE HG13 4.021 . 6.042 5.550 5.342 5.778 . 0 0 "[ . 1 . 2]" 2
110 1 14 ARG HG2 1 15 ASN H 3.839 . 5.681 4.535 4.386 4.646 . 0 0 "[ . 1 . 2]" 2
111 1 13 PHE QE 1 14 ARG HG2 4.032 . 6.064 4.228 3.647 4.630 . 0 0 "[ . 1 . 2]" 2
112 1 12 TYR QD 1 18 ILE HG12 4.194 . 6.393 4.901 4.729 5.035 . 0 0 "[ . 1 . 2]" 2
113 1 12 TYR QD 1 18 ILE MG 3.961 . 5.923 5.407 5.330 5.480 . 0 0 "[ . 1 . 2]" 2
114 1 13 PHE QE 1 18 ILE MD 3.836 . 5.675 4.808 4.571 5.011 . 0 0 "[ . 1 . 2]" 2
115 1 14 ARG HE 1 14 ARG HG3 3.651 . 5.317 3.094 2.407 3.867 . 0 0 "[ . 1 . 2]" 2
116 1 12 TYR HA 1 13 PHE H 2.390 . 3.104 2.164 2.129 2.197 . 0 0 "[ . 1 . 2]" 2
117 1 12 TYR HA 1 18 ILE H 2.666 . 3.555 2.464 2.362 2.558 . 0 0 "[ . 1 . 2]" 2
118 1 12 TYR HA 1 16 SER H 3.625 . 5.268 4.166 4.049 4.316 . 0 0 "[ . 1 . 2]" 2
119 1 12 TYR HA 1 12 TYR QD 2.676 . 3.571 3.052 2.889 3.114 . 0 0 "[ . 1 . 2]" 2
120 1 20 HIS H 1 20 HIS HA 2.631 . 3.496 2.926 2.921 2.934 . 0 0 "[ . 1 . 2]" 2
121 1 11 LYS H 1 20 HIS HA 3.262 . 4.592 3.229 3.164 3.317 . 0 0 "[ . 1 . 2]" 2
122 1 20 HIS HA 1 21 CYS H 2.074 . 2.611 2.410 2.375 2.434 . 0 0 "[ . 1 . 2]" 2
123 1 20 HIS HA 1 20 HIS HD2 3.735 . 5.479 4.367 4.228 4.451 . 0 0 "[ . 1 . 2]" 2
124 1 17 GLN HE22 1 20 HIS HA 4.136 . 6.274 4.938 4.614 5.206 . 0 0 "[ . 1 . 2]" 2
125 1 19 CYS HA 1 20 HIS H 1.920 . 2.381 2.401 2.317 2.463 0.082 19 0 "[ . 1 . 2]" 2
126 1 19 CYS HA 1 20 HIS HD2 3.309 . 4.678 3.651 3.178 5.295 0.617 4 2 "[ - +. 1 . 2]" 2
127 1 2 CYS HA 1 22 CYS H 3.453 . 4.944 3.576 3.417 4.001 . 0 0 "[ . 1 . 2]" 2
128 1 2 CYS H 1 2 CYS HA 2.962 . 4.059 2.909 2.905 2.914 . 0 0 "[ . 1 . 2]" 2
129 1 11 LYS HA 1 12 TYR H 2.589 . 3.427 2.196 2.162 2.216 . 0 0 "[ . 1 . 2]" 2
130 1 9 CYS H 1 9 CYS HA 2.418 . 3.149 2.907 2.886 2.923 . 0 0 "[ . 1 . 2]" 2
131 1 3 CYS H 1 3 CYS HA 2.479 . 3.247 2.928 2.857 2.941 . 0 0 "[ . 1 . 2]" 2
132 1 7 SER H 1 7 SER HA 2.425 . 3.160 2.932 2.928 2.935 . 0 0 "[ . 1 . 2]" 2
133 1 7 SER HA 1 8 SER H 1.966 . 2.449 2.387 2.326 2.432 . 0 0 "[ . 1 . 2]" 2
134 1 10 PRO HA 1 21 CYS H 2.947 . 4.033 3.121 3.067 3.187 . 0 0 "[ . 1 . 2]" 2
135 1 15 ASN HA 1 16 SER H 2.654 . 3.534 3.057 2.980 3.133 . 0 0 "[ . 1 . 2]" 2
136 1 10 PRO HA 1 11 LYS H 2.110 . 2.667 2.240 2.148 2.325 . 0 0 "[ . 1 . 2]" 2
137 1 12 TYR QD 1 15 ASN HA 2.768 . 3.726 2.710 2.390 2.990 . 0 0 "[ . 1 . 2]" 2
138 1 8 SER H 1 8 SER HA 2.367 . 3.067 2.943 2.940 2.947 . 0 0 "[ . 1 . 2]" 2
139 1 1 MET HA 1 2 CYS H 2.142 . 2.716 2.132 2.115 2.153 . 0 0 "[ . 1 . 2]" 2
140 1 5 GLU HA 1 6 GLY H 1.870 . 2.307 2.231 2.146 2.278 . 0 0 "[ . 1 . 2]" 2
141 1 5 GLU H 1 5 GLU HA 2.384 . 3.094 2.868 2.836 2.876 . 0 0 "[ . 1 . 2]" 2
142 1 12 TYR QD 1 17 GLN HA 2.593 . 3.433 3.149 2.973 3.201 . 0 0 "[ . 1 . 2]" 2
143 1 12 TYR QE 1 17 GLN HA 2.936 . 4.013 3.711 3.624 3.825 . 0 0 "[ . 1 . 2]" 2
144 1 6 GLY HA2 1 7 SER H 2.801 . 3.782 3.138 3.071 3.238 . 0 0 "[ . 1 . 2]" 2
145 1 7 SER QB 1 8 SER H 2.437 . 3.179 2.519 2.388 2.651 . 0 0 "[ . 1 . 2]" 2
146 1 7 SER H 1 7 SER QB 2.030 . 2.545 2.556 2.473 2.588 0.043 2 0 "[ . 1 . 2]" 2
147 1 10 PRO HD3 1 12 TYR QE 3.774 . 5.554 5.054 4.762 5.311 . 0 0 "[ . 1 . 2]" 2
148 1 10 PRO HD3 1 21 CYS H 3.182 . 4.448 4.115 3.972 4.204 . 0 0 "[ . 1 . 2]" 2
149 1 14 ARG HA 1 15 ASN H 2.588 . 3.425 3.523 3.502 3.535 0.110 10 0 "[ . 1 . 2]" 2
150 1 20 HIS H 1 20 HIS HB2 2.999 . 4.123 3.841 3.747 3.872 . 0 0 "[ . 1 . 2]" 2
151 1 20 HIS HB2 1 20 HIS HD2 3.047 . 4.208 3.827 3.154 3.959 . 0 0 "[ . 1 . 2]" 2
152 1 17 GLN HE22 1 20 HIS HB2 3.792 . 5.589 4.265 4.025 4.625 . 0 0 "[ . 1 . 2]" 2
153 1 21 CYS H 1 21 CYS HB3 2.589 . 3.427 3.535 3.510 3.564 0.137 4 0 "[ . 1 . 2]" 2
154 1 20 HIS H 1 20 HIS HB3 2.811 . 3.799 3.221 3.064 3.367 . 0 0 "[ . 1 . 2]" 2
155 1 20 HIS HB3 1 20 HIS HD2 2.707 . 3.623 3.105 2.908 3.960 0.337 4 0 "[ . 1 . 2]" 2
156 1 2 CYS H 1 2 CYS HB3 3.019 . 4.158 3.599 3.577 3.614 . 0 0 "[ . 1 . 2]" 2
157 1 2 CYS HB3 1 3 CYS H 2.592 . 3.431 3.220 3.060 3.345 . 0 0 "[ . 1 . 2]" 2
158 1 4 GLY H 1 22 CYS HB2 2.458 . 3.213 3.570 3.342 4.121 0.908 11 4 "[ *. 1+ * -]" 2
159 1 22 CYS H 1 22 CYS HB2 2.349 . 3.039 2.061 2.021 2.135 . 0 0 "[ . 1 . 2]" 2
160 1 13 PHE HB2 1 13 PHE QE 3.066 . 4.241 4.358 4.346 4.371 0.130 3 0 "[ . 1 . 2]" 2
161 1 13 PHE HB2 1 13 PHE QD 2.271 . 2.915 2.296 2.261 2.331 . 0 0 "[ . 1 . 2]" 2
162 1 9 CYS HB2 1 21 CYS H 3.598 . 5.216 5.059 4.989 5.148 . 0 0 "[ . 1 . 2]" 2
163 1 9 CYS H 1 9 CYS HB2 2.833 . 3.836 3.399 3.385 3.418 . 0 0 "[ . 1 . 2]" 2
164 1 14 ARG QD 1 14 ARG HE 2.561 . 3.381 2.426 2.301 2.500 . 0 0 "[ . 1 . 2]" 2
165 1 13 PHE QE 1 14 ARG QD 2.761 . 3.714 2.623 2.329 3.145 . 0 0 "[ . 1 . 2]" 2
166 1 18 ILE H 1 19 CYS H 2.596 . 3.439 2.167 2.051 2.234 . 0 0 "[ . 1 . 2]" 2
167 1 5 GLU H 1 7 SER H 4.004 . 6.008 4.626 4.414 4.811 . 0 0 "[ . 1 . 2]" 2
168 1 20 HIS HD2 1 21 CYS H 3.858 . 5.718 5.331 4.031 5.663 . 0 0 "[ . 1 . 2]" 2
169 1 12 TYR QD 1 16 SER H 3.009 . 4.141 3.281 3.130 3.453 . 0 0 "[ . 1 . 2]" 2
170 1 20 HIS H 1 21 CYS H 3.718 . 5.446 4.393 4.374 4.429 . 0 0 "[ . 1 . 2]" 2
171 1 3 CYS H 1 22 CYS H 3.372 . 4.794 3.489 3.190 3.765 . 0 0 "[ . 1 . 2]" 2
172 1 14 ARG H 1 15 ASN H 3.058 . 4.227 3.936 3.851 4.076 . 0 0 "[ . 1 . 2]" 2
173 1 13 PHE H 1 16 SER H 2.685 . 3.586 2.759 2.675 2.866 . 0 0 "[ . 1 . 2]" 2
174 1 13 PHE QD 1 14 ARG H 3.302 . 4.665 3.777 3.583 3.914 . 0 0 "[ . 1 . 2]" 2
175 1 6 GLY H 1 7 SER H 2.241 . 2.869 2.472 2.368 2.567 . 0 0 "[ . 1 . 2]" 2
176 1 15 ASN H 1 15 ASN HD21 3.895 . 5.791 4.485 4.010 4.999 . 0 0 "[ . 1 . 2]" 2
177 1 7 SER H 1 8 SER H 3.303 . 4.667 4.450 4.432 4.484 . 0 0 "[ . 1 . 2]" 2
178 1 12 TYR H 1 12 TYR QD 2.663 . 3.550 2.780 2.642 2.871 . 0 0 "[ . 1 . 2]" 2
179 1 12 TYR QD 1 18 ILE H 3.614 . 5.247 4.281 3.998 4.419 . 0 0 "[ . 1 . 2]" 2
180 1 12 TYR QE 1 18 ILE H 4.047 . 6.095 5.231 5.079 5.343 . 0 0 "[ . 1 . 2]" 2
181 1 12 TYR QD 1 15 ASN H 3.514 . 5.058 4.421 4.242 4.596 . 0 0 "[ . 1 . 2]" 2
182 1 20 HIS H 1 20 HIS HD2 3.033 . 4.183 2.596 2.296 3.168 . 0 0 "[ . 1 . 2]" 2
183 1 22 CYS H 1 22 CYS HB3 2.962 . 4.059 3.337 3.260 3.443 . 0 0 "[ . 1 . 2]" 2
184 1 13 PHE HB3 1 14 ARG H 3.594 . 5.209 4.279 4.238 4.315 . 0 0 "[ . 1 . 2]" 2
185 1 14 ARG H 1 14 ARG HA 2.500 . 3.281 2.267 2.257 2.275 . 0 0 "[ . 1 . 2]" 2
186 1 13 PHE HB2 1 14 ARG H 3.589 . 5.200 4.455 4.413 4.481 . 0 0 "[ . 1 . 2]" 2
187 1 13 PHE H 1 13 PHE HB3 2.881 . 3.919 2.622 2.559 2.667 . 0 0 "[ . 1 . 2]" 2
188 1 12 TYR HB3 1 13 PHE H 2.624 . 3.485 2.838 2.737 2.938 . 0 0 "[ . 1 . 2]" 2
189 1 12 TYR H 1 12 TYR HB2 2.466 . 3.226 2.539 2.485 2.585 . 0 0 "[ . 1 . 2]" 2
190 1 18 ILE H 1 18 ILE HA 2.799 . 3.778 2.913 2.897 2.926 . 0 0 "[ . 1 . 2]" 2
191 1 17 GLN HA 1 18 ILE H 2.279 . 2.928 2.128 2.113 2.137 . 0 0 "[ . 1 . 2]" 2
192 1 5 GLU H 1 7 SER QB 3.830 . 5.664 4.535 4.297 4.718 . 0 0 "[ . 1 . 2]" 2
193 1 4 GLY HA2 1 5 GLU H 2.102 . 2.654 2.147 2.121 2.172 . 0 0 "[ . 1 . 2]" 2
194 1 2 CYS HB2 1 4 GLY H 3.606 . 5.231 4.040 3.926 4.266 . 0 0 "[ . 1 . 2]" 2
195 1 15 ASN H 1 15 ASN HB3 2.741 . 3.680 3.113 2.925 3.805 0.125 17 0 "[ . 1 . 2]" 2
196 1 15 ASN HB3 1 16 SER H 3.197 . 4.474 3.962 3.804 4.338 . 0 0 "[ . 1 . 2]" 2
197 1 19 CYS H 1 19 CYS HB2 3.055 . 4.221 4.058 4.027 4.074 . 0 0 "[ . 1 . 2]" 2
198 1 19 CYS H 1 19 CYS HB3 3.568 . 5.160 3.415 3.355 3.476 . 0 0 "[ . 1 . 2]" 2
199 1 18 ILE HA 1 19 CYS H 3.212 . 4.502 3.399 3.362 3.448 . 0 0 "[ . 1 . 2]" 2
200 1 15 ASN HB3 1 15 ASN HD21 3.009 . 4.141 3.405 2.868 3.509 . 0 0 "[ . 1 . 2]" 2
201 1 13 PHE HB3 1 13 PHE QE 3.207 . 4.493 4.412 4.397 4.432 . 0 0 "[ . 1 . 2]" 2
202 1 17 GLN HE21 1 20 HIS HB3 3.794 . 5.593 3.702 2.528 4.229 . 0 0 "[ . 1 . 2]" 2
203 1 12 TYR HB2 1 12 TYR QE 3.235 . 4.543 4.459 4.440 4.483 . 0 0 "[ . 1 . 2]" 2
204 1 14 ARG H 1 14 ARG HB3 3.624 . 5.265 4.118 4.104 4.130 . 0 0 "[ . 1 . 2]" 2
205 1 14 ARG H 1 14 ARG HB2 3.558 . 5.141 3.428 3.339 3.541 . 0 0 "[ . 1 . 2]" 2
206 1 17 GLN H 1 17 GLN HB2 2.809 . 3.796 2.503 2.442 2.582 . 0 0 "[ . 1 . 2]" 2
207 1 17 GLN H 1 17 GLN HG2 3.555 . 5.135 4.485 4.432 4.523 . 0 0 "[ . 1 . 2]" 2
208 1 13 PHE H 1 18 ILE MD 3.659 . 5.333 3.777 3.653 3.907 . 0 0 "[ . 1 . 2]" 2
209 1 13 PHE H 1 18 ILE HG12 3.575 . 5.172 3.089 3.020 3.183 . 0 0 "[ . 1 . 2]" 2
210 1 13 PHE H 1 18 ILE MG 3.266 . 4.599 2.850 2.760 2.950 . 0 0 "[ . 1 . 2]" 2
211 1 11 LYS HB3 1 12 TYR H 2.942 . 4.024 3.082 3.008 3.205 . 0 0 "[ . 1 . 2]" 2
212 1 17 GLN HB3 1 18 ILE H 3.763 . 5.533 4.199 4.083 4.256 . 0 0 "[ . 1 . 2]" 2
213 1 18 ILE H 1 18 ILE HB 2.603 . 3.450 3.630 3.610 3.652 0.202 13 0 "[ . 1 . 2]" 2
214 1 18 ILE H 1 18 ILE HG13 2.901 . 3.953 2.544 2.505 2.586 . 0 0 "[ . 1 . 2]" 2
215 1 18 ILE H 1 18 ILE MG 2.891 . 3.936 2.915 2.795 2.992 . 0 0 "[ . 1 . 2]" 2
216 1 18 ILE H 1 18 ILE MD 3.249 . 4.569 3.645 3.615 3.682 . 0 0 "[ . 1 . 2]" 2
217 1 5 GLU H 1 5 GLU QB 2.052 . 2.578 2.428 2.208 2.550 . 0 0 "[ . 1 . 2]" 2
218 1 10 PRO HG2 1 11 LYS H 3.552 . 5.129 4.503 4.302 4.713 . 0 0 "[ . 1 . 2]" 2
219 1 18 ILE MG 1 19 CYS H 3.423 . 4.887 4.235 4.212 4.272 . 0 0 "[ . 1 . 2]" 2
220 1 18 ILE MD 1 19 CYS H 3.975 . 5.950 4.292 4.179 4.399 . 0 0 "[ . 1 . 2]" 2
221 1 11 LYS HB2 1 19 CYS H 3.273 . 4.612 3.324 3.226 3.414 . 0 0 "[ . 1 . 2]" 2
222 1 17 GLN HG3 1 19 CYS H 3.227 . 4.528 3.432 3.203 3.592 . 0 0 "[ . 1 . 2]" 2
223 1 18 ILE HB 1 19 CYS H 2.888 . 3.931 3.889 3.797 3.951 0.020 15 0 "[ . 1 . 2]" 2
224 1 18 ILE HG13 1 19 CYS H 3.461 . 4.958 2.700 2.553 2.833 . 0 0 "[ . 1 . 2]" 2
225 1 17 GLN HE21 1 17 GLN HG2 3.187 . 4.456 3.132 2.228 3.517 . 0 0 "[ . 1 . 2]" 2
226 1 17 GLN HB2 1 17 GLN HE21 2.974 . 4.080 3.203 2.799 4.432 0.352 19 0 "[ . 1 . 2]" 2
227 1 5 GLU H 1 5 GLU QG 2.710 . 3.628 2.527 2.068 3.954 0.326 4 0 "[ . 1 . 2]" 2
228 1 12 TYR HA 1 17 GLN HA 2.520 . 3.314 2.241 2.098 2.313 . 0 0 "[ . 1 . 2]" 2
229 1 20 HIS HA 1 20 HIS HB2 2.403 . 3.125 2.435 2.362 2.546 . 0 0 "[ . 1 . 2]" 2
230 1 22 CYS HA 1 22 CYS HB3 2.335 . 3.016 2.780 2.705 2.827 . 0 0 "[ . 1 . 2]" 2
231 1 12 TYR HA 1 12 TYR HB2 2.452 . 3.203 2.996 2.989 3.002 . 0 0 "[ . 1 . 2]" 2
232 1 10 PRO HB3 1 20 HIS HA 2.335 . 3.017 2.434 2.305 2.581 . 0 0 "[ . 1 . 2]" 2
233 1 19 CYS HA 1 19 CYS HB3 2.155 . 2.735 2.523 2.482 2.554 . 0 0 "[ . 1 . 2]" 2
234 1 19 CYS HA 1 19 CYS HB2 2.099 . 2.650 2.355 2.329 2.395 . 0 0 "[ . 1 . 2]" 2
235 1 2 CYS HA 1 2 CYS HB2 2.656 . 3.538 3.000 2.991 3.008 . 0 0 "[ . 1 . 2]" 2
236 1 3 CYS HB2 1 21 CYS HA 3.051 . 4.214 3.561 3.410 3.723 . 0 0 "[ . 1 . 2]" 2
237 1 3 CYS HA 1 3 CYS HB3 2.265 . 2.906 2.523 2.283 2.574 . 0 0 "[ . 1 . 2]" 2
238 1 11 LYS HA 1 11 LYS HB3 2.700 . 3.612 2.484 2.455 2.547 . 0 0 "[ . 1 . 2]" 2
239 1 11 LYS HA 1 11 LYS HG2 3.182 . 4.448 2.639 2.521 3.138 . 0 0 "[ . 1 . 2]" 2
240 1 11 LYS HA 1 11 LYS HG3 2.936 . 4.013 3.206 3.042 3.768 . 0 0 "[ . 1 . 2]" 2
241 1 11 LYS HA 1 11 LYS HB2 2.876 . 3.910 3.026 3.016 3.030 . 0 0 "[ . 1 . 2]" 2
242 1 18 ILE HA 1 18 ILE HB 2.343 . 3.029 2.558 2.540 2.573 . 0 0 "[ . 1 . 2]" 2
243 1 18 ILE HA 1 18 ILE HG13 3.114 . 4.326 3.734 3.724 3.745 . 0 0 "[ . 1 . 2]" 2
244 1 18 ILE HA 1 18 ILE MG 2.293 . 2.950 2.196 2.185 2.211 . 0 0 "[ . 1 . 2]" 2
245 1 5 GLU HA 1 5 GLU QB 2.076 . 2.615 2.195 2.166 2.338 . 0 0 "[ . 1 . 2]" 2
246 1 17 GLN HA 1 17 GLN HG2 2.768 . 3.726 2.870 2.770 3.082 . 0 0 "[ . 1 . 2]" 2
247 1 17 GLN HA 1 17 GLN HB2 2.524 . 3.320 2.518 2.457 2.557 . 0 0 "[ . 1 . 2]" 2
248 1 17 GLN HA 1 17 GLN HG3 2.603 . 3.450 2.551 2.444 2.621 . 0 0 "[ . 1 . 2]" 2
249 1 14 ARG HA 1 14 ARG HB3 2.509 . 3.296 2.610 2.531 2.682 . 0 0 "[ . 1 . 2]" 2
250 1 14 ARG HA 1 14 ARG HB2 2.662 . 3.548 2.990 2.958 3.018 . 0 0 "[ . 1 . 2]" 2
251 1 12 TYR HA 1 18 ILE HG12 3.278 . 4.621 2.573 2.463 2.759 . 0 0 "[ . 1 . 2]" 2
252 1 12 TYR HA 1 18 ILE MG 3.510 . 5.050 3.585 3.506 3.646 . 0 0 "[ . 1 . 2]" 2
253 1 12 TYR HA 1 18 ILE MD 3.632 . 5.281 3.897 3.777 4.047 . 0 0 "[ . 1 . 2]" 2
254 1 18 ILE MD 1 19 CYS HB3 3.848 . 5.699 4.598 4.307 4.856 . 0 0 "[ . 1 . 2]" 2
255 1 10 PRO HD2 1 10 PRO HG3 2.694 . 3.601 2.802 2.778 2.816 . 0 0 "[ . 1 . 2]" 2
256 1 10 PRO HB2 1 10 PRO HD2 3.093 . 4.289 3.947 3.922 3.986 . 0 0 "[ . 1 . 2]" 2
257 1 10 PRO HB2 1 10 PRO HD3 3.246 . 4.563 4.017 3.988 4.033 . 0 0 "[ . 1 . 2]" 2
258 1 17 GLN HA 1 17 GLN HB3 2.833 . 3.836 3.020 3.011 3.025 . 0 0 "[ . 1 . 2]" 2
259 1 10 PRO HD2 1 10 PRO HG2 2.320 . 2.993 2.277 2.267 2.289 . 0 0 "[ . 1 . 2]" 2
260 1 14 ARG HA 1 14 ARG HG2 2.896 . 3.944 3.112 2.522 3.691 . 0 0 "[ . 1 . 2]" 2
261 1 18 ILE HA 1 18 ILE HG12 2.947 . 4.033 3.649 3.627 3.673 . 0 0 "[ . 1 . 2]" 2
262 1 16 SER HB3 1 18 ILE MG 3.424 . 4.889 3.714 3.344 4.073 . 0 0 "[ . 1 . 2]" 2
263 1 1 MET HA 1 2 CYS HB2 3.705 . 5.421 4.468 4.421 4.510 . 0 0 "[ . 1 . 2]" 2
264 1 1 MET HA 1 1 MET HG3 2.971 . 4.074 2.934 2.556 3.257 . 0 0 "[ . 1 . 2]" 2
265 1 10 PRO HB3 1 10 PRO HD3 2.826 . 3.824 3.175 3.094 3.224 . 0 0 "[ . 1 . 2]" 2
266 1 11 LYS HE3 1 11 LYS HG3 2.953 . 4.043 3.668 3.019 3.762 . 0 0 "[ . 1 . 2]" 2
267 1 14 ARG QD 1 14 ARG HG2 3.062 . 4.234 2.286 2.159 2.387 . 0 0 "[ . 1 . 2]" 2
268 1 13 PHE HB2 1 18 ILE HG12 3.289 . 4.641 3.342 3.240 3.473 . 0 0 "[ . 1 . 2]" 2
269 1 13 PHE HB3 1 18 ILE HG12 3.378 . 4.805 4.354 4.235 4.507 . 0 0 "[ . 1 . 2]" 2
270 1 13 PHE HB2 1 18 ILE MG 2.780 . 3.746 2.235 2.144 2.315 . 0 0 "[ . 1 . 2]" 2
271 1 13 PHE HB3 1 18 ILE MG 2.640 . 3.511 2.686 2.605 2.828 . 0 0 "[ . 1 . 2]" 2
272 1 14 ARG QD 1 14 ARG HG3 2.959 . 4.053 2.307 2.178 2.452 . 0 0 "[ . 1 . 2]" 2
273 1 3 CYS HB3 1 11 LYS HG2 3.909 . 5.819 4.857 3.508 5.321 . 0 0 "[ . 1 . 2]" 2
274 1 11 LYS HB2 1 11 LYS HG2 2.377 . 3.083 2.927 2.417 3.015 . 0 0 "[ . 1 . 2]" 2
275 1 11 LYS HB3 1 11 LYS HG2 2.299 . 2.960 2.537 2.413 3.007 0.047 10 0 "[ . 1 . 2]" 2
276 1 11 LYS QD 1 11 LYS HG3 2.256 . 2.892 2.197 2.168 2.370 . 0 0 "[ . 1 . 2]" 2
277 1 18 ILE HB 1 18 ILE HG13 2.392 . 3.107 2.494 2.483 2.505 . 0 0 "[ . 1 . 2]" 2
278 1 14 ARG HB3 1 14 ARG HG2 2.860 . 3.882 2.446 2.378 2.503 . 0 0 "[ . 1 . 2]" 2
279 1 14 ARG HB2 1 14 ARG HG2 2.648 . 3.525 2.711 2.379 3.015 . 0 0 "[ . 1 . 2]" 2
280 1 18 ILE HB 1 18 ILE HG12 2.896 . 3.944 3.014 3.012 3.016 . 0 0 "[ . 1 . 2]" 2
281 1 1 MET HG2 1 2 CYS H 3.616 . 5.251 4.337 3.385 5.105 . 0 0 "[ . 1 . 2]" 2
282 1 14 ARG HA 1 14 ARG HG3 3.775 . 5.557 2.718 2.444 3.009 . 0 0 "[ . 1 . 2]" 2
283 1 13 PHE HB2 1 18 ILE MD 2.491 . 3.267 2.308 2.153 2.422 . 0 0 "[ . 1 . 2]" 2
284 1 12 TYR QD 1 18 ILE MD 4.511 . 7.055 5.499 5.414 5.667 . 0 0 "[ . 1 . 2]" 2
285 1 13 PHE H 1 18 ILE HG13 3.610 . 5.239 4.838 4.771 4.937 . 0 0 "[ . 1 . 2]" 2
286 1 10 PRO HB3 1 21 CYS H 2.826 . 3.824 3.548 3.363 3.745 . 0 0 "[ . 1 . 2]" 2
287 1 13 PHE H 1 15 ASN H 3.289 . 4.641 4.172 4.038 4.416 . 0 0 "[ . 1 . 2]" 2
288 1 13 PHE H 1 13 PHE QD 3.519 . 5.067 4.251 4.222 4.274 . 0 0 "[ . 1 . 2]" 2
289 1 10 PRO HD3 1 10 PRO HG3 2.239 . 2.866 2.274 2.266 2.284 . 0 0 "[ . 1 . 2]" 2
290 1 1 MET HA 1 1 MET QB 2.488 . 3.262 2.351 2.327 2.397 . 0 0 "[ . 1 . 2]" 2
291 1 10 PRO HA 1 10 PRO HB3 2.300 . 2.961 2.310 2.300 2.318 . 0 0 "[ . 1 . 2]" 2
292 1 15 ASN HA 1 15 ASN HB2 2.201 . 2.807 2.600 2.475 3.011 0.204 17 0 "[ . 1 . 2]" 2
293 1 15 ASN HA 1 15 ASN HB3 2.354 . 3.047 2.940 2.506 3.015 . 0 0 "[ . 1 . 2]" 2
294 1 7 SER HA 1 7 SER QB 2.024 . 2.536 2.359 2.345 2.375 . 0 0 "[ . 1 . 2]" 2
295 1 13 PHE QD 1 18 ILE MD 3.073 . 4.254 2.910 2.671 3.102 . 0 0 "[ . 1 . 2]" 2
296 1 13 PHE QD 1 18 ILE HG12 4.074 . 6.149 4.899 4.718 5.071 . 0 0 "[ . 1 . 2]" 2
297 1 13 PHE QD 1 18 ILE MG 3.187 . 4.456 3.423 3.173 3.629 . 0 0 "[ . 1 . 2]" 2
298 1 20 HIS HB2 1 21 CYS H 2.196 . 2.799 2.458 2.394 2.575 . 0 0 "[ . 1 . 2]" 2
299 1 20 HIS HB3 1 21 CYS H 2.581 . 3.414 3.794 3.661 3.901 0.487 20 0 "[ . 1 . 2]" 2
300 1 2 CYS HB3 1 22 CYS H 3.051 . 4.214 2.422 2.314 2.636 . 0 0 "[ . 1 . 2]" 2
301 1 15 ASN H 1 15 ASN HA 2.130 . 2.697 2.886 2.863 2.920 0.223 17 0 "[ . 1 . 2]" 2
302 1 15 ASN H 1 16 SER H 2.291 . 2.947 1.846 1.734 1.949 . 0 0 "[ . 1 . 2]" 2
303 1 4 GLY H 1 4 GLY HA3 2.107 . 2.662 2.855 2.767 2.909 0.247 14 0 "[ . 1 . 2]" 2
304 1 4 GLY H 1 4 GLY HA2 2.171 . 2.760 2.711 2.620 2.811 0.051 4 0 "[ . 1 . 2]" 2
305 1 20 HIS HA 1 21 CYS HB2 3.266 . 4.600 4.441 4.378 4.477 . 0 0 "[ . 1 . 2]" 2
306 1 12 TYR HB2 1 12 TYR QD 2.079 . 2.619 2.627 2.547 2.723 0.104 19 0 "[ . 1 . 2]" 2
307 1 15 ASN HB2 1 15 ASN HD21 2.731 . 3.663 2.916 2.298 3.503 . 0 0 "[ . 1 . 2]" 2
308 1 16 SER H 1 16 SER HB2 2.337 . 3.020 2.707 2.532 2.954 . 0 0 "[ . 1 . 2]" 2
309 1 2 CYS HA 1 3 CYS H 2.089 . 2.634 2.115 2.098 2.144 . 0 0 "[ . 1 . 2]" 2
310 1 1 MET QB 1 20 HIS H 3.686 . 5.384 3.852 3.747 3.964 . 0 0 "[ . 1 . 2]" 2
311 1 18 ILE MD 1 18 ILE HG13 2.171 . 2.760 2.114 2.113 2.117 . 0 0 "[ . 1 . 2]" 2
312 1 18 ILE HG13 1 18 ILE MG 2.400 . 3.120 3.186 3.181 3.189 0.069 17 0 "[ . 1 . 2]" 2
313 1 18 ILE HB 1 18 ILE MG 2.057 . 2.586 2.124 2.122 2.127 . 0 0 "[ . 1 . 2]" 2
314 1 8 SER H 1 8 SER QB 2.155 . 2.735 2.538 2.439 2.622 . 0 0 "[ . 1 . 2]" 2
315 1 13 PHE H 1 13 PHE HB2 3.009 . 4.141 2.822 2.749 2.899 . 0 0 "[ . 1 . 2]" 2
316 1 17 GLN HB2 1 17 GLN HE22 3.485 . 5.003 4.121 3.939 4.671 . 0 0 "[ . 1 . 2]" 2
317 1 19 CYS HB3 1 20 HIS H 2.835 . 3.839 3.783 3.707 3.884 0.045 2 0 "[ . 1 . 2]" 2
318 1 14 ARG H 1 14 ARG HG3 3.809 . 5.623 3.620 3.033 4.221 . 0 0 "[ . 1 . 2]" 2
319 1 14 ARG H 1 14 ARG HG2 3.744 . 5.496 4.296 3.783 4.793 . 0 0 "[ . 1 . 2]" 2
320 1 14 ARG HB3 1 14 ARG HE 3.664 . 5.342 3.463 2.420 4.784 . 0 0 "[ . 1 . 2]" 2
321 1 18 ILE HB 1 18 ILE MD 2.446 . 3.194 2.401 2.383 2.418 . 0 0 "[ . 1 . 2]" 2
322 1 18 ILE MD 1 18 ILE HG12 1.844 . 2.269 2.101 2.098 2.102 . 0 0 "[ . 1 . 2]" 2
323 1 18 ILE MD 1 18 ILE MG 1.903 . 2.356 1.935 1.916 1.962 . 0 0 "[ . 1 . 2]" 2
324 1 18 ILE HG12 1 18 ILE MG 2.121 . 2.683 2.333 2.312 2.348 . 0 0 "[ . 1 . 2]" 2
325 1 18 ILE HA 1 19 CYS HB3 3.375 . 4.799 4.689 4.645 4.727 . 0 0 "[ . 1 . 2]" 2
326 1 20 HIS HA 1 20 HIS HB3 2.241 . 2.869 2.457 2.356 2.541 . 0 0 "[ . 1 . 2]" 2
327 1 10 PRO HB2 1 20 HIS HA 3.029 . 4.176 3.381 3.261 3.515 . 0 0 "[ . 1 . 2]" 2
328 1 10 PRO HB3 1 10 PRO HD2 3.361 . 4.773 3.874 3.855 3.883 . 0 0 "[ . 1 . 2]" 2
329 1 11 LYS HE2 1 11 LYS HG2 3.573 . 5.168 3.401 3.011 3.735 . 0 0 "[ . 1 . 2]" 2
330 1 11 LYS HE3 1 11 LYS HG2 3.612 . 5.242 2.921 2.517 3.735 . 0 0 "[ . 1 . 2]" 2
331 1 12 TYR HA 1 18 ILE HG13 3.433 . 4.906 3.944 3.793 4.176 . 0 0 "[ . 1 . 2]" 2
332 1 21 CYS HA 1 22 CYS H 2.304 . 2.968 2.107 2.054 2.256 . 0 0 "[ . 1 . 2]" 2
333 1 21 CYS H 1 21 CYS HA 2.459 . 3.215 2.924 2.921 2.927 . 0 0 "[ . 1 . 2]" 2
334 1 22 CYS HA 1 22 CYS HB2 2.602 . 3.448 2.894 2.856 2.946 . 0 0 "[ . 1 . 2]" 2
335 1 1 MET QB 1 1 MET HG2 1.943 . 2.415 2.232 2.152 2.374 . 0 0 "[ . 1 . 2]" 2
336 1 1 MET QB 1 19 CYS HB2 3.131 . 4.356 2.850 2.660 3.090 . 0 0 "[ . 1 . 2]" 2
337 1 4 GLY HA2 1 5 GLU QB 3.551 . 5.127 4.300 4.048 4.431 . 0 0 "[ . 1 . 2]" 2
338 1 1 MET ME 1 2 CYS H 4.441 . 6.907 4.612 3.922 5.600 . 0 0 "[ . 1 . 2]" 2
339 1 12 TYR HB3 1 15 ASN H 3.247 . 4.565 4.118 4.001 4.231 . 0 0 "[ . 1 . 2]" 2
340 1 12 TYR QD 1 17 GLN HG3 3.009 . 4.141 3.405 3.103 3.668 . 0 0 "[ . 1 . 2]" 2
341 1 12 TYR QE 1 17 GLN HG3 2.893 . 3.940 2.725 2.533 2.971 . 0 0 "[ . 1 . 2]" 2
342 1 12 TYR QE 1 16 SER HA 3.735 . 5.479 4.074 3.910 4.316 . 0 0 "[ . 1 . 2]" 2
343 1 3 CYS H 1 20 HIS H 2.635 . 3.503 3.570 3.332 3.738 0.235 14 0 "[ . 1 . 2]" 2
344 1 4 GLY H 1 7 SER QB 3.009 . 4.141 4.668 4.207 4.859 0.718 7 14 "[ ** *-+* * ***** **2]" 2
345 1 12 TYR QD 1 17 GLN HG2 3.411 . 4.866 4.710 4.585 4.841 . 0 0 "[ . 1 . 2]" 2
346 1 12 TYR QE 1 17 GLN HG2 3.118 . 4.333 4.326 4.186 4.470 0.137 20 0 "[ . 1 . 2]" 2
347 1 11 LYS QD 1 11 LYS HE3 2.418 . 3.149 2.341 2.173 2.374 . 0 0 "[ . 1 . 2]" 2
348 1 11 LYS QD 1 11 LYS HE2 2.475 . 3.240 2.283 2.174 2.376 . 0 0 "[ . 1 . 2]" 2
349 1 10 PRO HB3 1 10 PRO HG3 2.473 . 3.237 2.305 2.302 2.313 . 0 0 "[ . 1 . 2]" 2
350 1 1 MET QB 1 19 CYS HB3 3.026 . 4.171 2.994 2.770 3.286 . 0 0 "[ . 1 . 2]" 2
351 1 1 MET HA 1 1 MET ME 3.718 . 5.446 4.019 3.121 4.648 . 0 0 "[ . 1 . 2]" 2
352 1 1 MET QB 1 19 CYS HA 2.530 . 3.330 2.835 2.549 3.019 . 0 0 "[ . 1 . 2]" 2
353 1 1 MET HG3 1 19 CYS HA 3.526 . 5.080 4.572 3.722 5.655 0.575 18 2 "[ -. 1 . + 2]" 2
354 1 1 MET HG2 1 19 CYS HA 3.526 . 5.080 4.321 3.550 4.660 . 0 0 "[ . 1 . 2]" 2
355 1 10 PRO HG3 1 20 HIS HA 3.465 . 4.965 4.643 4.535 4.770 . 0 0 "[ . 1 . 2]" 2
356 1 2 CYS HA 1 2 CYS HB3 2.388 . 3.101 2.536 2.505 2.567 . 0 0 "[ . 1 . 2]" 2
357 1 3 CYS H 1 20 HIS HA 3.811 . 5.626 4.431 4.171 4.510 . 0 0 "[ . 1 . 2]" 2
358 1 4 GLY H 1 5 GLU QB 4.133 . 6.268 4.739 4.534 5.331 . 0 0 "[ . 1 . 2]" 2
359 1 5 GLU H 1 22 CYS HB2 3.913 . 5.827 4.056 3.712 4.387 . 0 0 "[ . 1 . 2]" 2
360 1 5 GLU QG 1 7 SER H 4.029 . 6.058 4.643 4.465 4.807 . 0 0 "[ . 1 . 2]" 2
361 1 11 LYS HE2 1 11 LYS HG3 3.354 . 4.760 3.747 2.506 4.239 . 0 0 "[ . 1 . 2]" 2
362 1 6 GLY H 1 7 SER QB 3.372 . 4.794 4.695 4.581 4.758 . 0 0 "[ . 1 . 2]" 2
363 1 14 ARG HB2 1 14 ARG QD 2.384 . 3.094 2.453 2.384 2.894 . 0 0 "[ . 1 . 2]" 2
364 1 10 PRO HA 1 10 PRO HG2 3.313 . 4.685 3.848 3.821 3.864 . 0 0 "[ . 1 . 2]" 2
365 1 10 PRO HA 1 10 PRO HB2 2.382 . 3.091 2.627 2.620 2.634 . 0 0 "[ . 1 . 2]" 2
366 1 10 PRO HA 1 11 LYS HG2 3.975 . 5.950 4.767 3.581 5.166 . 0 0 "[ . 1 . 2]" 2
367 1 14 ARG HB3 1 16 SER H 3.044 . 4.202 4.321 4.082 4.546 0.344 13 0 "[ . 1 . 2]" 2
368 1 16 SER H 1 18 ILE MG 4.343 . 6.701 4.657 4.494 4.783 . 0 0 "[ . 1 . 2]" 2
369 1 16 SER H 1 18 ILE MD 4.700 . 7.461 6.054 5.965 6.163 . 0 0 "[ . 1 . 2]" 2
370 1 12 TYR HB3 1 16 SER H 3.149 . 4.388 3.118 2.991 3.208 . 0 0 "[ . 1 . 2]" 2
371 1 12 TYR HB2 1 16 SER H 3.197 . 4.474 4.857 4.730 4.930 0.456 4 0 "[ . 1 . 2]" 2
372 1 14 ARG HB2 1 16 SER H 2.933 . 4.008 3.484 3.268 3.655 . 0 0 "[ . 1 . 2]" 2
373 1 17 GLN HB3 1 17 GLN HE21 3.449 . 4.936 3.544 2.925 3.996 . 0 0 "[ . 1 . 2]" 2
374 1 10 PRO HB2 1 17 GLN HE21 3.359 . 4.770 3.402 2.912 4.464 . 0 0 "[ . 1 . 2]" 2
375 1 17 GLN HE22 1 17 GLN HG2 3.809 . 5.623 3.890 3.487 4.066 . 0 0 "[ . 1 . 2]" 2
376 1 10 PRO HG3 1 17 GLN HE22 3.858 . 5.718 4.714 4.239 5.203 . 0 0 "[ . 1 . 2]" 2
377 1 17 GLN HE21 1 20 HIS HA 3.869 . 5.740 4.905 3.842 5.238 . 0 0 "[ . 1 . 2]" 2
378 1 10 PRO HB3 1 17 GLN HE21 3.732 . 5.473 3.682 3.299 4.492 . 0 0 "[ . 1 . 2]" 2
379 1 18 ILE HA 1 19 CYS HA 3.837 . 5.678 4.451 4.420 4.491 . 0 0 "[ . 1 . 2]" 2
380 1 12 TYR HA 1 18 ILE HA 4.034 . 6.068 5.014 4.932 5.131 . 0 0 "[ . 1 . 2]" 2
381 1 17 GLN HA 1 18 ILE HG12 3.897 . 5.795 3.690 3.615 3.775 . 0 0 "[ . 1 . 2]" 2
382 1 11 LYS HB2 1 18 ILE HG12 3.118 . 4.333 3.511 3.371 3.738 . 0 0 "[ . 1 . 2]" 2
383 1 11 LYS HB2 1 18 ILE MD 2.933 . 4.008 3.098 3.002 3.218 . 0 0 "[ . 1 . 2]" 2
384 1 13 PHE QD 1 14 ARG HA 3.852 . 5.707 4.763 4.562 4.922 . 0 0 "[ . 1 . 2]" 2
385 1 21 CYS HA 1 21 CYS HB3 2.619 . 3.477 2.648 2.615 2.683 . 0 0 "[ . 1 . 2]" 2
386 1 10 PRO HA 1 20 HIS HB3 3.848 . 5.699 3.891 3.683 4.031 . 0 0 "[ . 1 . 2]" 2
387 1 10 PRO HB2 1 20 HIS HB3 4.050 . 6.100 4.062 3.724 4.266 . 0 0 "[ . 1 . 2]" 2
388 1 10 PRO HG3 1 20 HIS HB3 3.992 . 5.984 5.019 4.597 5.205 . 0 0 "[ . 1 . 2]" 2
389 1 17 GLN HE22 1 20 HIS HB3 3.002 . 4.129 3.110 2.771 3.489 . 0 0 "[ . 1 . 2]" 2
390 1 20 HIS HB2 1 21 CYS HB2 3.860 . 5.722 4.614 4.526 4.764 . 0 0 "[ . 1 . 2]" 2
391 1 10 PRO HB3 1 20 HIS HB2 3.411 . 4.866 3.021 2.798 3.287 . 0 0 "[ . 1 . 2]" 2
392 1 9 CYS HB3 1 21 CYS HB3 3.457 . 4.951 5.243 5.191 5.300 0.349 14 0 "[ . 1 . 2]" 2
393 1 1 MET HG3 1 19 CYS HB3 3.105 . 4.310 3.429 2.553 4.684 0.374 4 0 "[ . 1 . 2]" 2
394 1 1 MET HG3 1 19 CYS HB2 3.537 . 5.101 3.035 1.989 4.369 . 0 0 "[ . 1 . 2]" 2
395 1 1 MET ME 1 19 CYS HB3 3.679 . 5.371 4.023 3.181 4.970 . 0 0 "[ . 1 . 2]" 2
396 1 11 LYS H 1 18 ILE HB 3.905 . 5.811 6.157 6.065 6.279 0.468 8 0 "[ . 1 . 2]" 2
397 1 12 TYR HB2 1 13 PHE H 2.930 . 4.003 4.019 3.926 4.092 0.089 14 0 "[ . 1 . 2]" 2
398 1 11 LYS HB3 1 18 ILE HG12 3.384 . 4.816 3.589 3.355 3.752 . 0 0 "[ . 1 . 2]" 2
399 1 9 CYS HB3 1 10 PRO HD3 4.136 . 6.274 4.801 4.698 4.884 . 0 0 "[ . 1 . 2]" 2
400 1 9 CYS HB2 1 11 LYS H 4.780 . 7.636 5.644 5.219 5.964 . 0 0 "[ . 1 . 2]" 2
401 1 6 GLY H 1 7 SER HA 4.201 . 6.407 5.113 5.031 5.218 . 0 0 "[ . 1 . 2]" 2
402 1 5 GLU QG 1 6 GLY HA2 3.957 . 5.914 4.433 3.776 4.736 . 0 0 "[ . 1 . 2]" 2
403 1 3 CYS HA 1 4 GLY HA2 3.328 . 4.712 4.426 4.379 4.615 . 0 0 "[ . 1 . 2]" 2
404 1 2 CYS HB3 1 4 GLY HA3 4.882 . 7.861 5.285 5.002 5.387 . 0 0 "[ . 1 . 2]" 2
405 1 2 CYS HB3 1 4 GLY HA2 4.066 . 6.133 4.919 4.207 5.161 . 0 0 "[ . 1 . 2]" 2
406 1 3 CYS HB2 1 4 GLY HA2 4.258 . 6.525 5.460 4.709 5.665 . 0 0 "[ . 1 . 2]" 2
407 1 2 CYS HB3 1 4 GLY H 2.901 . 3.953 2.651 2.464 2.728 . 0 0 "[ . 1 . 2]" 2
408 1 1 MET HA 1 2 CYS HB3 4.735 . 7.537 5.679 5.661 5.705 . 0 0 "[ . 1 . 2]" 2
409 1 17 GLN HA 1 19 CYS H 4.208 . 6.421 3.557 3.491 3.681 . 0 0 "[ . 1 . 2]" 2
410 1 13 PHE HB2 1 16 SER H 3.575 . 5.172 4.907 4.846 4.986 . 0 0 "[ . 1 . 2]" 2
411 1 6 GLY H 1 6 GLY HA2 2.171 . 2.760 2.308 2.294 2.321 . 0 0 "[ . 1 . 2]" 2
412 1 4 GLY HA2 1 7 SER H 4.004 . 6.008 5.342 5.021 5.780 . 0 0 "[ . 1 . 2]" 2
413 1 7 SER H 1 22 CYS HB2 4.077 . 6.155 4.936 4.332 5.158 . 0 0 "[ . 1 . 2]" 2
414 1 18 ILE HG12 1 19 CYS H 3.952 . 5.905 3.473 3.415 3.584 . 0 0 "[ . 1 . 2]" 2
415 1 13 PHE QE 1 18 ILE MG 4.117 . 6.236 5.040 4.902 5.162 . 0 0 "[ . 1 . 2]" 2
416 1 11 LYS H 1 18 ILE HG12 4.330 . 6.674 4.750 4.673 4.842 . 0 0 "[ . 1 . 2]" 2
417 1 11 LYS H 1 18 ILE MG 4.540 . 7.116 6.057 6.001 6.114 . 0 0 "[ . 1 . 2]" 2
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