NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
545097 |
2lvr   |
18586 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lvr
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 334
_Distance_constraint_stats_list.Viol_count 919
_Distance_constraint_stats_list.Viol_total 2321.200
_Distance_constraint_stats_list.Viol_max 0.894
_Distance_constraint_stats_list.Viol_rms 0.0635
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0174
_Distance_constraint_stats_list.Viol_average_violations_only 0.1263
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PRO 4.473 0.638 6 4 "[ * .+*- 1 . 2]"
1 4 TYR 13.280 0.666 19 6 "[ * .-** 1 *. +2]"
1 5 VAL 7.719 0.411 11 0 "[ . 1 . 2]"
1 6 CYS 4.412 0.148 16 0 "[ . 1 . 2]"
1 7 ILE 8.714 0.222 15 0 "[ . 1 . 2]"
1 8 HIS 1.969 0.148 16 0 "[ . 1 . 2]"
1 9 CYS 13.850 0.326 8 0 "[ . 1 . 2]"
1 10 GLN 1.733 0.092 8 0 "[ . 1 . 2]"
1 11 ARG 5.185 0.302 18 0 "[ . 1 . 2]"
1 12 GLN 5.056 0.271 17 0 "[ . 1 . 2]"
1 13 PHE 6.440 0.894 1 2 "[+ . 1- . 2]"
1 14 ALA 3.652 0.238 9 0 "[ . 1 . 2]"
1 15 ASP 7.742 0.300 2 0 "[ . 1 . 2]"
1 16 PRO 4.710 0.666 19 3 "[ .- 1 *. +2]"
1 17 GLY 3.154 0.300 2 0 "[ . 1 . 2]"
1 18 ALA 6.450 0.328 5 0 "[ . 1 . 2]"
1 19 LEU 25.297 0.894 1 6 "[+* . *1* . -*]"
1 20 GLN 17.821 0.432 17 0 "[ . 1 . 2]"
1 21 ARG 11.748 0.621 10 2 "[ - . + . 2]"
1 22 HIS 17.125 0.529 19 1 "[ . 1 . +2]"
1 23 VAL 5.322 0.818 11 4 "[ * . *1+ . -]"
1 24 ARG 1.878 0.264 8 0 "[ . 1 . 2]"
1 25 ILE 3.608 0.128 9 0 "[ . 1 . 2]"
1 26 HIS 5.863 0.229 19 0 "[ . 1 . 2]"
1 27 THR 3.286 0.581 13 2 "[ - . 1 + . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 7.589 0.581 13 3 "[ * . - 1 + . 2]"
1 30 LYS 2.835 0.547 7 1 "[ . + 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 3 PRO HA 1 3 PRO HD2 3.700 . 4.400 4.050 3.884 4.101 . 0 0 "[ . 1 . 2]" 1
2 1 3 PRO HA 1 3 PRO HD3 3.700 . 4.400 3.734 3.591 3.914 . 0 0 "[ . 1 . 2]" 1
3 1 3 PRO HA 1 3 PRO HG2 4.100 . 4.900 3.854 3.826 3.961 . 0 0 "[ . 1 . 2]" 1
4 1 3 PRO HA 1 3 PRO HG3 4.000 . 4.800 3.817 2.835 4.058 . 0 0 "[ . 1 . 2]" 1
5 1 3 PRO HA 1 4 TYR H 3.000 . 3.600 2.452 2.318 2.610 . 0 0 "[ . 1 . 2]" 1
6 1 3 PRO HA 1 5 VAL H 5.400 . 6.000 5.889 5.243 6.103 0.103 3 0 "[ . 1 . 2]" 1
7 1 3 PRO HA 1 13 PHE H 5.500 . 5.500 5.308 5.014 5.585 0.085 13 0 "[ . 1 . 2]" 1
8 1 3 PRO HB2 1 3 PRO HD2 3.500 . 4.200 3.784 2.820 4.056 . 0 0 "[ . 1 . 2]" 1
9 1 3 PRO HB2 1 4 TYR H 4.000 . 4.800 2.495 2.139 3.107 . 0 0 "[ . 1 . 2]" 1
10 1 3 PRO HB2 1 5 VAL QG 4.100 . 4.900 3.409 2.998 4.141 . 0 0 "[ . 1 . 2]" 1
11 1 3 PRO HB3 1 3 PRO HD2 3.800 . 4.100 3.860 3.821 3.883 . 0 0 "[ . 1 . 2]" 1
12 1 3 PRO HB3 1 3 PRO HD3 3.500 . 4.200 3.235 2.945 4.083 . 0 0 "[ . 1 . 2]" 1
13 1 3 PRO HB3 1 4 TYR H 3.400 . 4.100 3.260 2.492 3.499 . 0 0 "[ . 1 . 2]" 1
14 1 3 PRO HB3 1 5 VAL QG 4.200 . 5.000 4.622 4.149 5.028 0.028 13 0 "[ . 1 . 2]" 1
15 1 3 PRO HD2 1 3 PRO HG2 3.000 . 3.600 2.305 2.270 2.364 . 0 0 "[ . 1 . 2]" 1
16 1 3 PRO HG2 1 4 TYR H 3.600 . 4.300 4.277 3.865 4.938 0.638 6 4 "[ * .+*- 1 . 2]" 1
17 1 3 PRO HG3 1 4 TYR H 4.000 . 4.800 4.815 4.474 5.006 0.206 10 0 "[ . 1 . 2]" 1
18 1 4 TYR H 1 4 TYR HB2 3.500 . 3.600 2.538 2.378 2.674 . 0 0 "[ . 1 . 2]" 1
19 1 4 TYR H 1 4 TYR HB3 3.000 . 3.600 3.686 3.548 3.770 0.170 10 0 "[ . 1 . 2]" 1
20 1 4 TYR H 1 4 TYR QD 3.400 . 4.000 2.704 2.125 3.303 . 0 0 "[ . 1 . 2]" 1
21 1 4 TYR H 1 5 VAL H 4.000 . 4.800 4.250 3.997 4.486 . 0 0 "[ . 1 . 2]" 1
22 1 4 TYR H 1 5 VAL MG1 4.300 . 5.200 4.190 3.917 4.469 . 0 0 "[ . 1 . 2]" 1
23 1 4 TYR HA 1 5 VAL H 2.600 . 3.100 2.136 2.101 2.168 . 0 0 "[ . 1 . 2]" 1
24 1 4 TYR HB2 1 4 TYR QD 3.100 . 3.200 2.414 2.352 2.514 . 0 0 "[ . 1 . 2]" 1
25 1 4 TYR HB2 1 5 VAL H 4.200 . 5.000 4.354 4.228 4.511 . 0 0 "[ . 1 . 2]" 1
26 1 4 TYR HB2 1 13 PHE H 3.500 . 4.200 4.089 3.813 4.271 0.071 3 0 "[ . 1 . 2]" 1
27 1 4 TYR HB2 1 15 ASP H 3.400 . 4.100 4.001 3.425 4.175 0.075 7 0 "[ . 1 . 2]" 1
28 1 4 TYR HB2 1 19 LEU H 3.800 . 4.600 4.745 4.644 4.816 0.216 2 0 "[ . 1 . 2]" 1
29 1 4 TYR HB2 1 19 LEU HB2 3.800 . 4.600 4.161 3.830 4.639 0.039 9 0 "[ . 1 . 2]" 1
30 1 4 TYR HB3 1 4 TYR QD 3.000 . 3.400 2.395 2.310 2.475 . 0 0 "[ . 1 . 2]" 1
31 1 4 TYR HB3 1 5 VAL H 3.600 . 4.300 3.544 3.286 3.989 . 0 0 "[ . 1 . 2]" 1
32 1 4 TYR HB3 1 13 PHE H 4.200 . 5.000 4.906 4.455 5.095 0.095 5 0 "[ . 1 . 2]" 1
33 1 4 TYR HB3 1 19 LEU HB2 3.800 . 4.600 3.595 2.944 4.076 . 0 0 "[ . 1 . 2]" 1
34 1 4 TYR QD 1 5 VAL H 4.400 . 4.800 4.308 3.867 4.611 . 0 0 "[ . 1 . 2]" 1
35 1 4 TYR QD 1 16 PRO HD2 3.700 . 4.400 4.568 4.211 5.066 0.666 19 3 "[ .- 1 *. +2]" 1
36 1 5 VAL H 1 5 VAL HB 3.000 . 3.600 3.695 3.639 3.738 0.138 13 0 "[ . 1 . 2]" 1
37 1 5 VAL H 1 5 VAL MG1 2.900 . 3.500 2.463 2.202 2.612 . 0 0 "[ . 1 . 2]" 1
38 1 5 VAL H 1 5 VAL MG2 2.900 . 3.500 2.081 1.986 2.250 . 0 0 "[ . 1 . 2]" 1
39 1 5 VAL H 1 6 CYS H 4.200 . 5.000 4.505 4.465 4.545 . 0 0 "[ . 1 . 2]" 1
40 1 5 VAL H 1 19 LEU MD2 3.200 . 3.800 3.940 3.818 4.211 0.411 11 0 "[ . 1 . 2]" 1
41 1 5 VAL HA 1 6 CYS H 2.700 . 3.200 2.208 2.159 2.247 . 0 0 "[ . 1 . 2]" 1
42 1 5 VAL HB 1 6 CYS H 3.800 . 4.600 2.817 2.698 3.027 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL HB 1 10 GLN HA 4.400 . 5.300 3.456 2.939 3.857 . 0 0 "[ . 1 . 2]" 1
44 1 5 VAL HB 1 11 ARG H 3.200 . 3.800 3.710 2.991 3.867 0.067 20 0 "[ . 1 . 2]" 1
45 1 5 VAL HB 1 13 PHE H 4.000 . 4.800 4.865 4.817 4.899 0.099 16 0 "[ . 1 . 2]" 1
46 1 5 VAL QG 1 6 CYS H 3.000 . 3.600 3.319 3.226 3.437 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL QG 1 12 GLN HE21 4.200 . 5.000 3.837 2.521 4.693 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL QG 1 12 GLN HE22 4.100 . 4.900 4.482 2.381 4.962 0.062 20 0 "[ . 1 . 2]" 1
49 1 5 VAL MG1 1 12 GLN HA 4.500 . 5.400 2.014 1.791 2.377 0.009 4 0 "[ . 1 . 2]" 1
50 1 5 VAL MG1 1 12 GLN HB2 3.900 . 4.700 3.821 2.289 4.377 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL MG1 1 12 GLN HB3 4.100 . 4.900 2.901 1.732 3.388 0.068 8 0 "[ . 1 . 2]" 1
52 1 5 VAL MG1 1 12 GLN HG2 3.300 . 4.000 2.085 1.739 4.001 0.061 3 0 "[ . 1 . 2]" 1
53 1 5 VAL MG1 1 12 GLN HG3 3.500 . 4.200 3.125 1.732 4.174 0.068 16 0 "[ . 1 . 2]" 1
54 1 5 VAL MG1 1 13 PHE H 4.000 . 4.800 3.390 3.214 3.726 . 0 0 "[ . 1 . 2]" 1
55 1 6 CYS H 1 6 CYS HB2 3.100 . 3.600 2.506 2.321 2.602 . 0 0 "[ . 1 . 2]" 1
56 1 6 CYS H 1 6 CYS HB3 2.900 . 3.500 2.582 2.497 2.783 . 0 0 "[ . 1 . 2]" 1
57 1 6 CYS H 1 19 LEU MD2 3.500 . 4.200 3.631 2.756 4.247 0.047 16 0 "[ . 1 . 2]" 1
58 1 6 CYS HA 1 7 ILE H 2.900 . 3.500 2.127 2.101 2.151 . 0 0 "[ . 1 . 2]" 1
59 1 6 CYS HA 1 19 LEU MD2 3.700 . 4.400 3.494 1.926 4.397 . 0 0 "[ . 1 . 2]" 1
60 1 6 CYS HB2 1 8 HIS H 3.700 . 4.400 4.483 4.445 4.548 0.148 16 0 "[ . 1 . 2]" 1
61 1 6 CYS HB2 1 9 CYS H 3.600 . 4.100 4.157 4.120 4.206 0.106 15 0 "[ . 1 . 2]" 1
62 1 6 CYS HB2 1 10 GLN H 3.600 . 4.300 4.337 4.177 4.392 0.092 8 0 "[ . 1 . 2]" 1
63 1 6 CYS HB2 1 11 ARG H 3.400 . 4.100 3.091 2.959 3.252 . 0 0 "[ . 1 . 2]" 1
64 1 6 CYS HB2 1 11 ARG HB2 3.800 . 4.600 3.214 2.760 4.374 . 0 0 "[ . 1 . 2]" 1
65 1 6 CYS HB2 1 11 ARG HB3 3.800 . 4.600 4.382 2.914 4.639 0.039 13 0 "[ . 1 . 2]" 1
66 1 6 CYS HB2 1 13 PHE QD 3.600 . 4.300 3.357 2.968 3.873 . 0 0 "[ . 1 . 2]" 1
67 1 6 CYS HB2 1 22 HIS HD2 3.100 . 3.700 2.802 2.295 3.061 . 0 0 "[ . 1 . 2]" 1
68 1 6 CYS HB3 1 9 CYS H 2.900 . 3.500 2.856 2.551 3.055 . 0 0 "[ . 1 . 2]" 1
69 1 6 CYS HB3 1 10 GLN H 3.200 . 3.800 2.623 2.515 2.678 . 0 0 "[ . 1 . 2]" 1
70 1 6 CYS HB3 1 11 ARG H 3.200 . 3.800 1.887 1.726 2.159 0.074 13 0 "[ . 1 . 2]" 1
71 1 6 CYS HB3 1 11 ARG HB2 4.600 . 5.500 3.044 2.725 3.744 . 0 0 "[ . 1 . 2]" 1
72 1 6 CYS HB3 1 11 ARG HB3 4.400 . 5.300 4.437 3.056 4.997 . 0 0 "[ . 1 . 2]" 1
73 1 6 CYS HB3 1 22 HIS HD2 3.800 . 4.000 3.958 3.549 4.055 0.055 13 0 "[ . 1 . 2]" 1
74 1 7 ILE H 1 7 ILE HB 3.400 . 4.100 2.427 2.213 2.705 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE H 1 7 ILE MD 2.900 . 3.500 1.850 1.747 2.450 0.053 12 0 "[ . 1 . 2]" 1
76 1 7 ILE H 1 7 ILE QG 3.300 . 4.000 3.014 1.892 3.381 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE H 1 7 ILE MG 2.900 . 3.500 3.708 3.633 3.722 0.222 15 0 "[ . 1 . 2]" 1
78 1 7 ILE H 1 8 HIS H 3.000 . 3.600 2.470 2.342 2.604 . 0 0 "[ . 1 . 2]" 1
79 1 7 ILE H 1 23 VAL QG 4.200 . 5.000 3.728 3.357 4.027 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE HA 1 7 ILE HB 2.800 . 3.400 3.026 2.999 3.032 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE HA 1 7 ILE MD . . 3.200 2.956 2.101 3.191 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE HA 1 7 ILE QG . . 3.800 2.453 2.322 3.169 . 0 0 "[ . 1 . 2]" 1
83 1 7 ILE HA 1 7 ILE MG 2.600 . 3.100 2.440 2.254 2.642 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE HA 1 8 HIS H 3.900 . 4.700 3.441 3.411 3.473 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE HA 1 9 CYS H 4.400 . 5.300 4.822 4.611 5.054 . 0 0 "[ . 1 . 2]" 1
86 1 7 ILE HA 1 10 GLN QG 3.800 . 4.600 4.198 3.692 4.583 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE HB 1 7 ILE MD 3.000 . 3.600 2.414 2.274 3.217 . 0 0 "[ . 1 . 2]" 1
88 1 7 ILE HB 1 8 HIS H 3.200 . 3.800 3.091 2.996 3.214 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE HB 1 23 VAL QG 3.300 . 4.000 3.963 3.600 4.137 0.137 13 0 "[ . 1 . 2]" 1
90 1 7 ILE MD 1 8 HIS H 3.500 . 4.200 3.883 3.774 4.276 0.076 1 0 "[ . 1 . 2]" 1
91 1 7 ILE MD 1 9 CYS H 4.500 . 5.400 5.547 5.508 5.589 0.189 6 0 "[ . 1 . 2]" 1
92 1 7 ILE MD 1 23 VAL QG 3.700 . 4.400 3.317 2.664 4.546 0.146 9 0 "[ . 1 . 2]" 1
93 1 7 ILE QG 1 7 ILE MG 2.400 . 2.900 2.095 2.070 2.213 . 0 0 "[ . 1 . 2]" 1
94 1 7 ILE MG 1 8 HIS H 3.500 . 4.200 3.727 3.397 4.024 . 0 0 "[ . 1 . 2]" 1
95 1 8 HIS H 1 8 HIS HB2 3.200 . 3.800 2.541 2.251 2.755 . 0 0 "[ . 1 . 2]" 1
96 1 8 HIS H 1 8 HIS HB3 3.400 . 4.100 2.746 2.559 2.943 . 0 0 "[ . 1 . 2]" 1
97 1 8 HIS H 1 9 CYS H 3.200 . 3.800 2.421 2.301 2.531 . 0 0 "[ . 1 . 2]" 1
98 1 8 HIS H 1 10 GLN H 3.800 . 4.600 3.451 3.294 3.540 . 0 0 "[ . 1 . 2]" 1
99 1 8 HIS H 1 23 VAL QG 3.900 . 4.700 4.166 3.808 4.451 . 0 0 "[ . 1 . 2]" 1
100 1 8 HIS H 1 26 HIS HD2 4.700 . 5.400 4.094 3.913 4.247 . 0 0 "[ . 1 . 2]" 1
101 1 8 HIS HA 1 9 CYS H 4.200 . 5.000 3.579 3.551 3.597 . 0 0 "[ . 1 . 2]" 1
102 1 8 HIS HB2 1 9 CYS H 3.500 . 4.200 3.812 3.611 3.949 . 0 0 "[ . 1 . 2]" 1
103 1 8 HIS HB2 1 26 HIS HB3 4.200 . 5.000 4.812 4.471 5.107 0.107 10 0 "[ . 1 . 2]" 1
104 1 8 HIS HB2 1 26 HIS HD2 3.800 . 4.600 3.082 2.773 3.407 . 0 0 "[ . 1 . 2]" 1
105 1 8 HIS HB3 1 9 CYS H 3.800 . 4.200 2.727 2.480 2.919 . 0 0 "[ . 1 . 2]" 1
106 1 8 HIS HB3 1 9 CYS HB2 4.500 . 5.400 5.014 4.889 5.118 . 0 0 "[ . 1 . 2]" 1
107 1 8 HIS HB3 1 26 HIS HB3 4.200 . 5.000 4.541 4.213 4.965 . 0 0 "[ . 1 . 2]" 1
108 1 8 HIS HB3 1 26 HIS HD2 . . 4.400 2.545 2.108 2.964 . 0 0 "[ . 1 . 2]" 1
109 1 9 CYS H 1 9 CYS HB2 2.900 . 3.500 3.780 3.707 3.826 0.326 8 0 "[ . 1 . 2]" 1
110 1 9 CYS H 1 9 CYS HB3 3.500 . 3.500 2.917 2.748 3.035 . 0 0 "[ . 1 . 2]" 1
111 1 9 CYS H 1 10 GLN H 2.900 . 3.200 1.967 1.835 2.112 . 0 0 "[ . 1 . 2]" 1
112 1 9 CYS H 1 10 GLN HA 3.600 . 4.300 4.176 4.039 4.306 0.006 2 0 "[ . 1 . 2]" 1
113 1 9 CYS HA 1 9 CYS HB3 3.000 . 3.500 2.510 2.490 2.536 . 0 0 "[ . 1 . 2]" 1
114 1 9 CYS HA 1 10 GLN H 3.600 . 4.300 3.280 3.246 3.329 . 0 0 "[ . 1 . 2]" 1
115 1 9 CYS HB2 1 10 GLN H 3.600 . 4.300 4.342 4.266 4.380 0.080 2 0 "[ . 1 . 2]" 1
116 1 9 CYS HB2 1 26 HIS HE1 2.900 . 3.500 3.665 3.599 3.729 0.229 19 0 "[ . 1 . 2]" 1
117 1 9 CYS HB3 1 26 HIS HE1 3.500 . 3.500 2.594 2.414 2.776 . 0 0 "[ . 1 . 2]" 1
118 1 10 GLN H 1 10 GLN HA 2.600 . 3.100 2.254 2.244 2.264 . 0 0 "[ . 1 . 2]" 1
119 1 10 GLN H 1 10 GLN HB2 4.100 . 4.900 3.547 3.470 3.617 . 0 0 "[ . 1 . 2]" 1
120 1 10 GLN H 1 10 GLN HB3 4.200 . 5.000 4.082 4.049 4.118 . 0 0 "[ . 1 . 2]" 1
121 1 10 GLN H 1 10 GLN QG 3.700 . 3.800 2.847 2.694 3.496 . 0 0 "[ . 1 . 2]" 1
122 1 10 GLN H 1 11 ARG H 3.000 . 3.600 2.879 2.712 3.217 . 0 0 "[ . 1 . 2]" 1
123 1 10 GLN HA 1 10 GLN QG 2.800 . 3.400 2.417 2.336 2.908 . 0 0 "[ . 1 . 2]" 1
124 1 10 GLN HA 1 11 ARG H 3.100 . 3.700 2.560 2.302 2.774 . 0 0 "[ . 1 . 2]" 1
125 1 10 GLN HB2 1 10 GLN QG 2.200 . 2.600 2.341 2.164 2.415 . 0 0 "[ . 1 . 2]" 1
126 1 10 GLN HB3 1 10 GLN QG 2.300 . 2.800 2.329 2.156 2.377 . 0 0 "[ . 1 . 2]" 1
127 1 10 GLN HB3 1 11 ARG H 4.700 . 5.600 4.325 4.123 4.427 . 0 0 "[ . 1 . 2]" 1
128 1 11 ARG H 1 11 ARG HA 2.900 . 2.900 2.924 2.906 2.939 0.039 3 0 "[ . 1 . 2]" 1
129 1 11 ARG H 1 11 ARG HB2 3.000 . 3.600 2.562 2.312 3.152 . 0 0 "[ . 1 . 2]" 1
130 1 11 ARG H 1 11 ARG HB3 3.200 . 3.500 3.581 2.832 3.760 0.260 16 0 "[ . 1 . 2]" 1
131 1 11 ARG H 1 11 ARG QG 3.200 . 3.800 3.210 2.782 4.102 0.302 18 0 "[ . 1 . 2]" 1
132 1 11 ARG HA 1 12 GLN H 2.500 . 2.900 2.256 2.177 2.440 . 0 0 "[ . 1 . 2]" 1
133 1 11 ARG HB2 1 11 ARG HD3 4.000 . 4.800 3.380 2.473 4.225 . 0 0 "[ . 1 . 2]" 1
134 1 11 ARG HB3 1 11 ARG HD3 3.900 . 4.700 2.890 2.169 3.795 . 0 0 "[ . 1 . 2]" 1
135 1 11 ARG HB3 1 12 GLN H 3.100 . 3.700 3.086 2.499 3.866 0.166 11 0 "[ . 1 . 2]" 1
136 1 12 GLN H 1 12 GLN HB2 2.900 . 3.500 2.571 2.349 3.616 0.116 8 0 "[ . 1 . 2]" 1
137 1 12 GLN H 1 12 GLN HB3 2.900 . 3.500 3.572 2.730 3.688 0.188 20 0 "[ . 1 . 2]" 1
138 1 12 GLN H 1 12 GLN HG2 3.900 . 4.700 3.359 1.871 4.196 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLN H 1 12 GLN HG3 3.100 . 3.700 2.545 2.113 3.736 0.036 16 0 "[ . 1 . 2]" 1
140 1 12 GLN H 1 13 PHE H 4.100 . 4.900 4.485 4.364 4.547 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLN HA 1 13 PHE H 2.700 . 3.200 2.152 2.127 2.193 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLN HB2 1 12 GLN HG3 2.700 . 3.200 2.448 2.306 2.986 . 0 0 "[ . 1 . 2]" 1
143 1 12 GLN HB2 1 13 PHE H 4.100 . 4.200 4.100 3.128 4.280 0.080 1 0 "[ . 1 . 2]" 1
144 1 12 GLN HB3 1 13 PHE H 4.000 . 4.100 3.338 3.101 4.116 0.016 8 0 "[ . 1 . 2]" 1
145 1 12 GLN HE21 1 12 GLN HG3 3.200 . 3.800 2.662 2.215 3.493 . 0 0 "[ . 1 . 2]" 1
146 1 12 GLN HE22 1 12 GLN HG3 3.200 . 3.800 3.682 3.480 4.071 0.271 17 0 "[ . 1 . 2]" 1
147 1 12 GLN HG2 1 13 PHE H 4.400 . 4.900 4.566 4.124 5.119 0.219 5 0 "[ . 1 . 2]" 1
148 1 12 GLN HG3 1 13 PHE H 4.500 . 5.400 5.079 4.087 5.386 . 0 0 "[ . 1 . 2]" 1
149 1 13 PHE H 1 13 PHE HB2 . . 3.800 2.648 2.401 2.755 . 0 0 "[ . 1 . 2]" 1
150 1 13 PHE H 1 13 PHE HB3 3.600 . 4.300 3.782 3.627 3.850 . 0 0 "[ . 1 . 2]" 1
151 1 13 PHE H 1 13 PHE QD 3.300 . 4.000 3.052 2.803 3.272 . 0 0 "[ . 1 . 2]" 1
152 1 13 PHE HB2 1 15 ASP H 4.000 . 4.800 3.828 3.412 4.416 . 0 0 "[ . 1 . 2]" 1
153 1 13 PHE HB2 1 18 ALA MB 3.200 . 3.800 3.456 3.193 3.787 . 0 0 "[ . 1 . 2]" 1
154 1 13 PHE HB2 1 19 LEU H 3.800 . 4.600 4.654 4.510 4.806 0.206 5 0 "[ . 1 . 2]" 1
155 1 13 PHE HB3 1 13 PHE QD 3.200 . 3.800 2.396 2.304 2.450 . 0 0 "[ . 1 . 2]" 1
156 1 13 PHE HB3 1 15 ASP H 3.700 . 4.400 2.900 2.660 3.169 . 0 0 "[ . 1 . 2]" 1
157 1 13 PHE HB3 1 18 ALA MB 3.200 . 3.800 2.599 2.128 3.024 . 0 0 "[ . 1 . 2]" 1
158 1 13 PHE QD 1 18 ALA MB 3.300 . 3.600 3.171 2.506 3.623 0.023 6 0 "[ . 1 . 2]" 1
159 1 13 PHE QD 1 19 LEU MD1 3.300 . 4.000 3.501 2.647 4.894 0.894 1 2 "[+ . 1- . 2]" 1
160 1 14 ALA H 1 15 ASP H 3.700 . 4.400 2.428 2.079 2.777 . 0 0 "[ . 1 . 2]" 1
161 1 14 ALA HA 1 15 ASP H 3.400 . 4.100 3.485 3.308 3.541 . 0 0 "[ . 1 . 2]" 1
162 1 14 ALA MB 1 15 ASP H 3.500 . 3.500 2.728 2.303 3.278 . 0 0 "[ . 1 . 2]" 1
163 1 14 ALA MB 1 15 ASP HB2 3.200 . 3.800 3.642 3.272 3.942 0.142 17 0 "[ . 1 . 2]" 1
164 1 14 ALA MB 1 15 ASP HB3 3.700 . 4.400 4.556 4.424 4.638 0.238 9 0 "[ . 1 . 2]" 1
165 1 15 ASP H 1 15 ASP HB2 . . 3.600 2.688 2.471 3.128 . 0 0 "[ . 1 . 2]" 1
166 1 15 ASP H 1 15 ASP HB3 . . 3.800 3.486 2.935 3.781 . 0 0 "[ . 1 . 2]" 1
167 1 15 ASP H 1 18 ALA MB 3.400 . 4.100 2.855 2.620 3.197 . 0 0 "[ . 1 . 2]" 1
168 1 15 ASP HB2 1 17 GLY H 4.300 . 5.200 3.724 3.490 4.021 . 0 0 "[ . 1 . 2]" 1
169 1 15 ASP HB2 1 17 GLY QA 3.400 . 4.100 4.239 4.098 4.400 0.300 2 0 "[ . 1 . 2]" 1
170 1 15 ASP HB2 1 18 ALA H 4.200 . 4.900 2.885 2.222 3.724 . 0 0 "[ . 1 . 2]" 1
171 1 15 ASP HB2 1 18 ALA MB 3.400 . 4.100 2.927 2.155 3.919 . 0 0 "[ . 1 . 2]" 1
172 1 15 ASP HB3 1 16 PRO HD2 3.100 . 3.700 3.005 2.292 3.722 0.022 18 0 "[ . 1 . 2]" 1
173 1 15 ASP HB3 1 16 PRO HD3 3.400 . 4.100 3.911 3.453 4.257 0.157 18 0 "[ . 1 . 2]" 1
174 1 15 ASP HB3 1 17 GLY H 4.600 . 5.500 2.577 2.352 2.689 . 0 0 "[ . 1 . 2]" 1
175 1 15 ASP HB3 1 17 GLY QA 3.200 . 3.800 3.379 2.950 3.794 . 0 0 "[ . 1 . 2]" 1
176 1 15 ASP HB3 1 18 ALA H 4.300 . 5.200 2.638 1.801 3.324 . 0 0 "[ . 1 . 2]" 1
177 1 15 ASP HB3 1 18 ALA MB 3.700 . 4.400 3.529 2.780 4.217 . 0 0 "[ . 1 . 2]" 1
178 1 16 PRO HA 1 19 LEU H 3.400 . 4.100 3.120 2.921 3.406 . 0 0 "[ . 1 . 2]" 1
179 1 16 PRO HA 1 19 LEU HB2 3.800 . 4.600 2.370 1.945 2.712 . 0 0 "[ . 1 . 2]" 1
180 1 16 PRO HA 1 19 LEU HB3 4.000 . 4.800 3.952 3.479 4.263 . 0 0 "[ . 1 . 2]" 1
181 1 16 PRO HD2 1 17 GLY H 3.800 . 4.600 2.447 2.037 2.804 . 0 0 "[ . 1 . 2]" 1
182 1 16 PRO HD3 1 17 GLY H 4.800 . 5.800 3.700 3.357 3.895 . 0 0 "[ . 1 . 2]" 1
183 1 17 GLY H 1 18 ALA H 3.200 . 3.800 2.678 2.547 2.885 . 0 0 "[ . 1 . 2]" 1
184 1 17 GLY H 1 19 LEU H 3.700 . 4.400 3.970 3.854 4.104 . 0 0 "[ . 1 . 2]" 1
185 1 17 GLY QA 1 18 ALA H 3.100 . 3.700 2.718 2.550 2.843 . 0 0 "[ . 1 . 2]" 1
186 1 17 GLY QA 1 19 LEU H 3.800 . 4.600 3.856 3.735 4.008 . 0 0 "[ . 1 . 2]" 1
187 1 17 GLY QA 1 20 GLN H 3.800 . 4.600 3.420 3.195 3.687 . 0 0 "[ . 1 . 2]" 1
188 1 17 GLY QA 1 20 GLN QB 3.200 . 3.800 3.377 2.828 3.748 . 0 0 "[ . 1 . 2]" 1
189 1 17 GLY QA 1 20 GLN QG 3.900 . 4.700 2.714 1.969 3.979 . 0 0 "[ . 1 . 2]" 1
190 1 17 GLY QA 1 21 ARG H 3.400 . 4.100 4.073 3.861 4.166 0.066 20 0 "[ . 1 . 2]" 1
191 1 18 ALA H 1 18 ALA MB 2.900 . 3.500 2.276 2.258 2.294 . 0 0 "[ . 1 . 2]" 1
192 1 18 ALA H 1 19 LEU H 3.400 . 3.500 2.488 2.351 2.652 . 0 0 "[ . 1 . 2]" 1
193 1 18 ALA HA 1 19 LEU H 3.500 . 4.200 3.494 3.462 3.517 . 0 0 "[ . 1 . 2]" 1
194 1 18 ALA HA 1 21 ARG H 2.700 . 3.200 3.205 3.036 3.282 0.082 6 0 "[ . 1 . 2]" 1
195 1 18 ALA MB 1 19 LEU H 2.900 . 3.500 2.862 2.759 2.952 . 0 0 "[ . 1 . 2]" 1
196 1 18 ALA MB 1 22 HIS H 3.300 . 4.000 4.294 4.258 4.328 0.328 5 0 "[ . 1 . 2]" 1
197 1 19 LEU H 1 19 LEU HB2 2.800 . 3.400 2.166 2.121 2.295 . 0 0 "[ . 1 . 2]" 1
198 1 19 LEU H 1 19 LEU HB3 3.000 . 3.600 3.444 3.397 3.555 . 0 0 "[ . 1 . 2]" 1
199 1 19 LEU H 1 19 LEU MD2 3.300 . 4.000 2.935 2.594 3.675 . 0 0 "[ . 1 . 2]" 1
200 1 19 LEU H 1 20 GLN H 3.500 . 3.700 2.423 2.325 2.495 . 0 0 "[ . 1 . 2]" 1
201 1 19 LEU H 1 20 GLN HA 3.800 . 4.600 4.982 4.929 5.032 0.432 17 0 "[ . 1 . 2]" 1
202 1 19 LEU H 1 20 GLN QB 4.100 . 4.900 4.556 4.400 4.666 . 0 0 "[ . 1 . 2]" 1
203 1 19 LEU H 1 20 GLN QG 4.100 . 4.900 4.065 3.721 4.419 . 0 0 "[ . 1 . 2]" 1
204 1 19 LEU H 1 21 ARG H 3.900 . 4.700 3.925 3.780 4.011 . 0 0 "[ . 1 . 2]" 1
205 1 19 LEU HA 1 19 LEU MD1 3.000 . 3.600 2.485 1.805 3.743 0.143 20 0 "[ . 1 . 2]" 1
206 1 19 LEU HA 1 20 GLN H 3.900 . 4.700 3.483 3.447 3.511 . 0 0 "[ . 1 . 2]" 1
207 1 19 LEU HA 1 21 ARG H 3.600 . 4.300 4.378 4.320 4.429 0.129 3 0 "[ . 1 . 2]" 1
208 1 19 LEU HA 1 22 HIS H . . 3.500 3.139 2.965 3.296 . 0 0 "[ . 1 . 2]" 1
209 1 19 LEU HA 1 22 HIS QB 3.400 . 4.100 2.165 1.940 2.354 . 0 0 "[ . 1 . 2]" 1
210 1 19 LEU HA 1 23 VAL QG 3.800 . 4.600 3.589 3.244 3.855 . 0 0 "[ . 1 . 2]" 1
211 1 19 LEU HB3 1 20 GLN H 3.700 . 4.400 3.394 3.267 3.648 . 0 0 "[ . 1 . 2]" 1
212 1 19 LEU MD1 1 22 HIS QB 3.800 . 4.400 3.242 2.300 4.929 0.529 19 1 "[ . 1 . +2]" 1
213 1 19 LEU MD1 1 23 VAL QG 2.900 . 3.500 3.157 2.409 4.318 0.818 11 4 "[ * . *1+ . -]" 1
214 1 20 GLN H 1 20 GLN HA . . 3.100 2.805 2.786 2.819 . 0 0 "[ . 1 . 2]" 1
215 1 20 GLN H 1 20 GLN QB 3.200 . 3.500 2.468 2.395 2.576 . 0 0 "[ . 1 . 2]" 1
216 1 20 GLN H 1 20 GLN QG 3.700 . 4.100 2.316 2.097 2.552 . 0 0 "[ . 1 . 2]" 1
217 1 20 GLN H 1 21 ARG H 3.100 . 3.500 2.403 2.303 2.502 . 0 0 "[ . 1 . 2]" 1
218 1 20 GLN HA 1 20 GLN QG 3.600 . 3.700 2.987 2.329 3.469 . 0 0 "[ . 1 . 2]" 1
219 1 20 GLN HA 1 21 ARG H 2.700 . 3.200 3.407 3.368 3.429 0.229 7 0 "[ . 1 . 2]" 1
220 1 20 GLN HA 1 22 HIS H 3.000 . 3.600 3.902 3.840 3.968 0.368 14 0 "[ . 1 . 2]" 1
221 1 20 GLN HA 1 23 VAL H 4.200 . 5.000 3.272 3.035 3.511 . 0 0 "[ . 1 . 2]" 1
222 1 20 GLN HA 1 23 VAL HB 4.000 . 4.800 3.205 2.935 3.568 . 0 0 "[ . 1 . 2]" 1
223 1 20 GLN HA 1 23 VAL QG 3.200 . 3.800 3.202 2.686 3.529 . 0 0 "[ . 1 . 2]" 1
224 1 20 GLN HA 1 24 ARG H 3.700 . 4.400 4.187 3.968 4.382 . 0 0 "[ . 1 . 2]" 1
225 1 20 GLN QB 1 21 ARG H 3.400 . 3.600 3.016 2.429 3.448 . 0 0 "[ . 1 . 2]" 1
226 1 20 GLN QG 1 21 ARG H 3.600 . 4.300 2.972 1.843 4.071 . 0 0 "[ . 1 . 2]" 1
227 1 21 ARG H 1 21 ARG HA 2.800 . 3.400 2.835 2.810 2.855 . 0 0 "[ . 1 . 2]" 1
228 1 21 ARG H 1 21 ARG HB2 2.500 . 3.000 2.191 2.064 2.426 . 0 0 "[ . 1 . 2]" 1
229 1 21 ARG H 1 21 ARG HD2 4.000 . 4.800 4.298 2.567 5.421 0.621 10 2 "[ - . + . 2]" 1
230 1 21 ARG H 1 21 ARG HD3 4.600 . 5.500 4.428 3.410 5.592 0.092 14 0 "[ . 1 . 2]" 1
231 1 21 ARG H 1 21 ARG QG 3.400 . 4.100 3.871 3.475 4.064 . 0 0 "[ . 1 . 2]" 1
232 1 21 ARG H 1 22 HIS H 3.000 . 3.600 2.440 2.369 2.514 . 0 0 "[ . 1 . 2]" 1
233 1 21 ARG H 1 23 VAL H 3.800 . 4.600 4.235 4.027 4.425 . 0 0 "[ . 1 . 2]" 1
234 1 21 ARG HA 1 21 ARG HB2 2.500 . 3.000 2.733 2.504 2.970 . 0 0 "[ . 1 . 2]" 1
235 1 21 ARG HA 1 21 ARG HD2 3.400 . 4.100 3.076 1.794 4.279 0.179 20 0 "[ . 1 . 2]" 1
236 1 21 ARG HA 1 21 ARG HD3 3.800 . 4.600 3.219 1.953 4.487 . 0 0 "[ . 1 . 2]" 1
237 1 21 ARG HA 1 21 ARG QG 3.300 . 4.000 2.477 2.164 2.934 . 0 0 "[ . 1 . 2]" 1
238 1 21 ARG HA 1 22 HIS H 3.200 . 3.800 3.463 3.435 3.481 . 0 0 "[ . 1 . 2]" 1
239 1 21 ARG HB2 1 21 ARG QG 2.400 . 2.900 2.326 2.161 2.508 . 0 0 "[ . 1 . 2]" 1
240 1 21 ARG HB2 1 22 HIS H 2.800 . 3.400 3.379 2.839 3.675 0.275 15 0 "[ . 1 . 2]" 1
241 1 21 ARG HB3 1 21 ARG QG 2.500 . 3.000 2.221 2.126 2.397 . 0 0 "[ . 1 . 2]" 1
242 1 21 ARG HB3 1 22 HIS H 2.700 . 3.200 2.868 2.417 3.319 0.119 13 0 "[ . 1 . 2]" 1
243 1 22 HIS H 1 22 HIS HA 3.000 . 3.500 2.846 2.824 2.864 . 0 0 "[ . 1 . 2]" 1
244 1 22 HIS H 1 22 HIS QB 2.700 . 3.200 2.219 2.167 2.258 . 0 0 "[ . 1 . 2]" 1
245 1 22 HIS H 1 22 HIS HD2 4.400 . 5.300 5.229 5.148 5.289 . 0 0 "[ . 1 . 2]" 1
246 1 22 HIS H 1 23 VAL H 3.100 . 3.700 2.627 2.550 2.720 . 0 0 "[ . 1 . 2]" 1
247 1 22 HIS H 1 23 VAL QG 3.900 . 4.700 4.027 3.928 4.088 . 0 0 "[ . 1 . 2]" 1
248 1 22 HIS H 1 23 VAL MG2 3.400 . 4.100 4.098 3.987 4.160 0.060 15 0 "[ . 1 . 2]" 1
249 1 22 HIS H 1 25 ILE QG 3.900 . 4.700 4.460 4.053 4.621 . 0 0 "[ . 1 . 2]" 1
250 1 22 HIS HA 1 23 VAL H 3.600 . 3.600 3.544 3.528 3.554 . 0 0 "[ . 1 . 2]" 1
251 1 22 HIS HA 1 25 ILE H 4.500 . 5.400 3.383 3.253 3.572 . 0 0 "[ . 1 . 2]" 1
252 1 22 HIS HA 1 25 ILE QG 4.200 . 5.000 2.576 2.061 2.865 . 0 0 "[ . 1 . 2]" 1
253 1 22 HIS HA 1 25 ILE MG 3.600 . 4.300 4.009 3.739 4.230 . 0 0 "[ . 1 . 2]" 1
254 1 22 HIS QB 1 23 VAL H 3.400 . 4.100 2.386 2.216 2.618 . 0 0 "[ . 1 . 2]" 1
255 1 22 HIS QB 1 23 VAL HA 4.100 . 4.400 3.723 3.623 3.810 . 0 0 "[ . 1 . 2]" 1
256 1 22 HIS QB 1 23 VAL QG 3.600 . 4.300 2.833 2.708 2.932 . 0 0 "[ . 1 . 2]" 1
257 1 22 HIS HD2 1 23 VAL HA 3.500 . 3.800 3.627 3.412 3.845 0.045 11 0 "[ . 1 . 2]" 1
258 1 22 HIS HD2 1 23 VAL QG 3.100 . 3.600 3.348 3.158 3.599 . 0 0 "[ . 1 . 2]" 1
259 1 22 HIS HD2 1 26 HIS HD2 3.500 . 4.200 3.328 2.986 3.811 . 0 0 "[ . 1 . 2]" 1
260 1 23 VAL H 1 23 VAL HB 3.400 . 4.100 2.539 2.475 2.602 . 0 0 "[ . 1 . 2]" 1
261 1 23 VAL H 1 23 VAL QG 3.100 . 3.600 2.163 2.094 2.224 . 0 0 "[ . 1 . 2]" 1
262 1 23 VAL H 1 24 ARG H 3.600 . 4.200 2.590 2.467 2.640 . 0 0 "[ . 1 . 2]" 1
263 1 23 VAL HA 1 23 VAL QG 2.800 . 3.400 2.130 2.120 2.140 . 0 0 "[ . 1 . 2]" 1
264 1 23 VAL HA 1 25 ILE H 4.000 . 4.800 3.777 3.506 3.964 . 0 0 "[ . 1 . 2]" 1
265 1 23 VAL HA 1 26 HIS H 3.800 . 4.600 3.224 3.021 3.397 . 0 0 "[ . 1 . 2]" 1
266 1 23 VAL HA 1 26 HIS HB2 4.000 . 4.800 3.098 2.792 3.399 . 0 0 "[ . 1 . 2]" 1
267 1 23 VAL HA 1 26 HIS HB3 4.800 . 5.800 4.805 4.495 5.088 . 0 0 "[ . 1 . 2]" 1
268 1 23 VAL HA 1 26 HIS HD2 2.800 . 3.400 2.957 2.724 3.117 . 0 0 "[ . 1 . 2]" 1
269 1 23 VAL HB 1 24 ARG H 3.700 . 4.400 2.847 2.761 2.952 . 0 0 "[ . 1 . 2]" 1
270 1 23 VAL QG 1 24 ARG H 2.900 . 3.500 3.320 3.241 3.401 . 0 0 "[ . 1 . 2]" 1
271 1 23 VAL QG 1 24 ARG HA 3.900 . 4.700 3.592 3.376 3.862 . 0 0 "[ . 1 . 2]" 1
272 1 23 VAL MG1 1 26 HIS HD2 3.200 . 3.800 3.810 3.502 3.873 0.073 17 0 "[ . 1 . 2]" 1
273 1 23 VAL MG2 1 26 HIS HD2 3.200 . 3.800 3.679 3.419 3.837 0.037 14 0 "[ . 1 . 2]" 1
274 1 24 ARG H 1 24 ARG HG2 2.700 . 3.200 2.588 1.862 3.327 0.127 18 0 "[ . 1 . 2]" 1
275 1 24 ARG H 1 24 ARG HG3 2.700 . 3.200 2.929 2.134 3.464 0.264 8 0 "[ . 1 . 2]" 1
276 1 24 ARG H 1 25 ILE H 3.500 . 4.100 2.604 2.477 2.711 . 0 0 "[ . 1 . 2]" 1
277 1 24 ARG H 1 25 ILE HA 4.600 . 5.500 5.199 5.075 5.294 . 0 0 "[ . 1 . 2]" 1
278 1 24 ARG HA 1 24 ARG HG2 3.300 . 4.000 2.930 2.300 3.885 . 0 0 "[ . 1 . 2]" 1
279 1 24 ARG HA 1 24 ARG HG3 3.600 . 4.300 3.552 3.082 3.922 . 0 0 "[ . 1 . 2]" 1
280 1 24 ARG HA 1 25 ILE H 3.800 . 4.600 3.446 3.362 3.524 . 0 0 "[ . 1 . 2]" 1
281 1 24 ARG HD2 1 24 ARG HG2 3.000 . 3.600 2.602 2.312 3.016 . 0 0 "[ . 1 . 2]" 1
282 1 25 ILE H 1 25 ILE HB 3.300 . 3.600 2.381 2.312 2.484 . 0 0 "[ . 1 . 2]" 1
283 1 25 ILE H 1 25 ILE MD 3.500 . 4.200 3.535 3.280 3.755 . 0 0 "[ . 1 . 2]" 1
284 1 25 ILE H 1 25 ILE QG 3.600 . 4.300 2.374 1.961 2.605 . 0 0 "[ . 1 . 2]" 1
285 1 25 ILE H 1 25 ILE MG 3.100 . 3.600 3.712 3.684 3.726 0.126 7 0 "[ . 1 . 2]" 1
286 1 25 ILE H 1 26 HIS H 3.200 . 3.800 2.634 2.435 2.782 . 0 0 "[ . 1 . 2]" 1
287 1 25 ILE HA 1 25 ILE HB 2.700 . 3.200 3.016 3.007 3.023 . 0 0 "[ . 1 . 2]" 1
288 1 25 ILE HA 1 25 ILE MD 3.600 . 4.300 2.778 1.822 3.813 . 0 0 "[ . 1 . 2]" 1
289 1 25 ILE HA 1 25 ILE QG 3.800 . 4.600 2.607 2.289 2.892 . 0 0 "[ . 1 . 2]" 1
290 1 25 ILE HA 1 25 ILE MG 2.700 . 3.200 2.494 2.409 2.571 . 0 0 "[ . 1 . 2]" 1
291 1 25 ILE HA 1 26 HIS H 3.500 . 4.200 3.561 3.532 3.592 . 0 0 "[ . 1 . 2]" 1
292 1 25 ILE HB 1 25 ILE MD 2.900 . 3.500 2.862 2.392 3.236 . 0 0 "[ . 1 . 2]" 1
293 1 25 ILE HB 1 26 HIS H 4.000 . 4.800 2.550 2.410 2.862 . 0 0 "[ . 1 . 2]" 1
294 1 25 ILE MD 1 26 HIS H 4.300 . 5.200 4.605 4.442 4.756 . 0 0 "[ . 1 . 2]" 1
295 1 25 ILE QG 1 25 ILE MG 2.400 . 2.900 2.279 2.192 2.400 . 0 0 "[ . 1 . 2]" 1
296 1 25 ILE QG 1 26 HIS H 4.000 . 4.800 4.103 3.956 4.315 . 0 0 "[ . 1 . 2]" 1
297 1 25 ILE MG 1 26 HIS H 3.900 . 4.200 3.120 2.990 3.397 . 0 0 "[ . 1 . 2]" 1
298 1 25 ILE MG 1 26 HIS HB2 4.600 . 5.400 4.765 4.599 4.923 . 0 0 "[ . 1 . 2]" 1
299 1 25 ILE MG 1 26 HIS HB3 5.000 . 6.000 5.181 5.023 5.305 . 0 0 "[ . 1 . 2]" 1
300 1 25 ILE MG 1 26 HIS HE1 3.900 . 4.700 4.768 4.717 4.828 0.128 9 0 "[ . 1 . 2]" 1
301 1 26 HIS H 1 26 HIS HB2 3.700 . 3.800 2.366 2.276 2.438 . 0 0 "[ . 1 . 2]" 1
302 1 26 HIS H 1 26 HIS HB3 3.200 . 3.800 3.593 3.557 3.628 . 0 0 "[ . 1 . 2]" 1
303 1 26 HIS H 1 26 HIS HD2 3.700 . 4.400 3.829 3.666 3.945 . 0 0 "[ . 1 . 2]" 1
304 1 26 HIS H 1 27 THR H 3.700 . 3.700 2.640 2.564 2.747 . 0 0 "[ . 1 . 2]" 1
305 1 26 HIS HB2 1 26 HIS HD2 3.500 . 4.200 2.654 2.623 2.677 . 0 0 "[ . 1 . 2]" 1
306 1 26 HIS HB2 1 27 THR H 4.600 . 5.500 2.645 2.410 2.992 . 0 0 "[ . 1 . 2]" 1
307 1 26 HIS HB2 1 27 THR MG 4.400 . 5.300 4.746 3.404 5.334 0.034 2 0 "[ . 1 . 2]" 1
308 1 26 HIS HB3 1 26 HIS HD2 3.600 . 4.300 3.506 3.449 3.563 . 0 0 "[ . 1 . 2]" 1
309 1 26 HIS HB3 1 27 THR H 4.600 . 5.500 3.425 3.218 3.725 . 0 0 "[ . 1 . 2]" 1
310 1 26 HIS HB3 1 27 THR MG 4.400 . 5.300 4.988 3.755 5.372 0.072 8 0 "[ . 1 . 2]" 1
311 1 27 THR H 1 27 THR HB 4.000 . 4.800 2.808 2.568 3.467 . 0 0 "[ . 1 . 2]" 1
312 1 27 THR H 1 27 THR MG 4.100 . 4.900 3.231 1.994 3.870 . 0 0 "[ . 1 . 2]" 1
313 1 27 THR HA 1 27 THR MG 3.000 . 3.600 2.533 2.146 3.229 . 0 0 "[ . 1 . 2]" 1
314 1 27 THR HA 1 28 GLY H 3.800 . 4.600 3.034 2.572 3.544 . 0 0 "[ . 1 . 2]" 1
315 1 27 THR HA 1 29 GLU H 3.500 . 4.200 3.874 2.860 4.375 0.175 14 0 "[ . 1 . 2]" 1
316 1 27 THR HB 1 28 GLY H 4.300 . 5.200 4.013 2.980 4.643 . 0 0 "[ . 1 . 2]" 1
317 1 27 THR MG 1 29 GLU HB2 4.400 . 5.300 3.543 2.067 4.740 . 0 0 "[ . 1 . 2]" 1
318 1 27 THR MG 1 29 GLU HB3 4.100 . 4.900 4.480 1.771 5.481 0.581 13 2 "[ - . 1 + . 2]" 1
319 1 27 THR MG 1 29 GLU HG3 4.100 . 4.900 3.371 1.930 4.693 . 0 0 "[ . 1 . 2]" 1
320 1 28 GLY QA 1 29 GLU H 2.700 . 3.200 2.668 2.374 2.902 . 0 0 "[ . 1 . 2]" 1
321 1 28 GLY HA2 1 29 GLU H 3.300 . 4.000 2.959 2.413 3.554 . 0 0 "[ . 1 . 2]" 1
322 1 28 GLY HA3 1 29 GLU H 3.400 . 4.100 3.318 2.546 3.558 . 0 0 "[ . 1 . 2]" 1
323 1 29 GLU H 1 29 GLU HA 3.000 . 3.600 2.844 2.758 2.905 . 0 0 "[ . 1 . 2]" 1
324 1 29 GLU H 1 29 GLU HB2 2.800 . 3.400 2.623 2.270 3.619 0.219 8 0 "[ . 1 . 2]" 1
325 1 29 GLU H 1 29 GLU HG2 3.200 . 3.800 2.911 1.942 4.014 0.214 14 0 "[ . 1 . 2]" 1
326 1 29 GLU H 1 29 GLU HG3 3.900 . 4.700 2.807 1.892 4.502 . 0 0 "[ . 1 . 2]" 1
327 1 29 GLU H 1 30 LYS H 3.200 . 3.600 2.511 2.192 2.858 . 0 0 "[ . 1 . 2]" 1
328 1 29 GLU HA 1 29 GLU HB2 2.600 . 3.100 2.928 2.307 3.027 . 0 0 "[ . 1 . 2]" 1
329 1 29 GLU HA 1 29 GLU HG2 3.500 . 3.600 2.906 2.502 3.722 0.122 2 0 "[ . 1 . 2]" 1
330 1 29 GLU HA 1 29 GLU HG3 3.600 . 3.600 3.342 2.842 3.752 0.152 19 0 "[ . 1 . 2]" 1
331 1 29 GLU HA 1 30 LYS H 2.900 . 3.500 3.467 3.135 3.538 0.038 6 0 "[ . 1 . 2]" 1
332 1 29 GLU HB2 1 30 LYS H 3.700 . 4.100 2.888 2.073 4.132 0.032 14 0 "[ . 1 . 2]" 1
333 1 29 GLU HB3 1 30 LYS H 3.700 . 4.400 3.736 2.888 4.328 . 0 0 "[ . 1 . 2]" 1
334 1 29 GLU HG2 1 30 LYS H 3.900 . 4.700 4.436 2.957 5.247 0.547 7 1 "[ . + 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 6:14:49 AM GMT (wattos1)