NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
627293 |
6cgw   |
30411 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6cgw
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 388
_Distance_constraint_stats_list.Viol_count 1055
_Distance_constraint_stats_list.Viol_total 7467.955
_Distance_constraint_stats_list.Viol_max 4.122
_Distance_constraint_stats_list.Viol_rms 0.6428
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3007
_Distance_constraint_stats_list.Viol_average_violations_only 0.8848
_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 0.647 0.140 8 0 "[ . ]"
1 3 GLN 69.287 3.428 2 8 [*+**-***]
1 5 TRP 118.518 3.350 1 8 [+******-]
1 6 NLE 200.805 4.122 1 8 [+*****-*]
1 7 TRP 81.007 3.353 3 8 [**+*****]
1 8 THR 65.391 2.734 1 8 [+******-]
1 9 CYS 107.222 2.449 6 8 [*****+*-]
1 10 ASP 28.257 2.204 3 8 [**+*-***]
1 11 SER 11.122 1.545 2 6 "[*+-*.* *]"
1 12 LYS 78.199 2.449 6 8 [****-+**]
1 13 ARG 87.193 2.409 2 8 [*+**-***]
1 14 ALA 4.291 1.038 2 5 "[*+ *-* ]"
1 15 CYS 102.997 3.353 3 8 [**+**-**]
1 16 CYS 24.169 1.263 1 8 [+*****-*]
1 17 GLU 39.230 3.428 2 8 [*+****-*]
1 18 GLY 25.702 2.464 2 8 [*+*-****]
1 19 LEU 198.746 4.122 1 8 [+-******]
1 20 ARG 60.951 2.520 2 8 [*+****-*]
1 21 CYS 16.164 1.182 5 7 "[****+* *]"
1 22 LYS 22.801 3.639 1 8 [+*****-*]
1 23 LEU 51.802 3.639 1 8 [+****-**]
1 24 TRP 112.760 3.512 3 8 [*-+*****]
1 25 CYS 94.285 4.064 4 8 [***+*-**]
1 26 ARG 89.023 3.465 2 8 [*+*****-]
1 27 LYS 88.378 3.033 7 8 [***-**+*]
1 28 GLU 45.329 3.465 2 8 [*+*-****]
1 29 ILE 0.117 0.117 5 0 "[ . ]"
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 CB 1 16 CYS SG . . 3.100 3.177 3.101 3.240 0.140 8 0 "[ . ]" 1
2 1 2 CYS SG 1 16 CYS CB . . 3.100 2.998 2.927 3.115 0.015 7 0 "[ . ]" 1
3 1 2 CYS SG 1 16 CYS SG . . 2.100 1.946 1.825 2.036 . 0 0 "[ . ]" 1
4 1 3 GLN H 1 3 GLN HA . . 2.870 2.937 2.926 2.943 0.073 8 0 "[ . ]" 1
5 1 3 GLN H 1 3 GLN QB . . 3.530 2.948 2.865 3.062 . 0 0 "[ . ]" 1
6 1 3 GLN H 1 3 GLN QG . . 4.180 3.305 3.182 3.443 . 0 0 "[ . ]" 1
7 1 3 GLN H 1 5 TRP H . . 5.310 2.618 2.575 2.679 . 0 0 "[ . ]" 1
8 1 3 GLN H 1 13 ARG QG . . 3.640 4.159 3.963 4.278 0.638 8 5 "[ **-* +]" 1
9 1 3 GLN H 1 16 CYS H . . 3.960 3.952 3.843 4.089 0.129 7 0 "[ . ]" 1
10 1 3 GLN H 1 16 CYS HA . . 5.500 5.517 5.087 6.000 0.500 3 0 "[ . ]" 1
11 1 3 GLN H 1 16 CYS QB . . 5.340 3.941 3.726 4.070 . 0 0 "[ . ]" 1
12 1 3 GLN H 1 19 LEU QD . . 4.650 3.231 3.075 3.453 . 0 0 "[ . ]" 1
13 1 3 GLN HA 1 5 TRP H . . 3.900 4.009 3.973 4.048 0.148 8 0 "[ . ]" 1
14 1 3 GLN HA 1 7 TRP HD1 . . 4.170 3.687 3.522 3.816 . 0 0 "[ . ]" 1
15 1 3 GLN HA 1 9 CYS HA . . 5.500 4.128 3.923 4.242 . 0 0 "[ . ]" 1
16 1 3 GLN HA 1 15 CYS HA . . 5.500 4.710 4.532 5.039 . 0 0 "[ . ]" 1
17 1 3 GLN QB 1 5 TRP H . . 4.140 4.025 3.939 4.092 . 0 0 "[ . ]" 1
18 1 3 GLN QB 1 7 TRP H . . 5.440 4.884 4.675 5.049 . 0 0 "[ . ]" 1
19 1 3 GLN QB 1 7 TRP HB3 . . 5.160 4.017 3.845 4.181 . 0 0 "[ . ]" 1
20 1 3 GLN QB 1 7 TRP HD1 . . 4.570 2.197 2.041 2.380 . 0 0 "[ . ]" 1
21 1 3 GLN QB 1 9 CYS HA . . 4.900 1.921 1.795 2.005 . 0 0 "[ . ]" 1
22 1 3 GLN QB 1 9 CYS QB . . 4.120 2.570 2.165 3.016 . 0 0 "[ . ]" 1
23 1 3 GLN QB 1 13 ARG QG . . 4.420 2.836 2.659 2.987 . 0 0 "[ . ]" 1
24 1 3 GLN QB 1 15 CYS HA . . 3.490 2.762 2.455 3.139 . 0 0 "[ . ]" 1
25 1 3 GLN QB 1 15 CYS QB . . 5.180 4.455 4.041 4.743 . 0 0 "[ . ]" 1
26 1 3 GLN QB 1 16 CYS H . . 4.070 4.567 4.497 4.706 0.636 2 2 "[ +- . ]" 1
27 1 3 GLN QB 1 17 GLU H . . 5.340 8.171 6.458 8.768 3.428 2 8 [*+****-*] 1
28 1 3 GLN QB 1 19 LEU QD . . 3.840 4.251 3.989 4.470 0.630 2 3 "[-+* . ]" 1
29 1 3 GLN QB 1 25 CYS QB . . 5.360 3.538 3.412 3.654 . 0 0 "[ . ]" 1
30 1 3 GLN QG 1 5 TRP H . . 4.440 3.037 2.664 3.421 . 0 0 "[ . ]" 1
31 1 3 GLN QG 1 6 NLE H . . 5.500 4.507 4.147 4.862 . 0 0 "[ . ]" 1
32 1 3 GLN QG 1 7 TRP H . . 4.430 2.939 2.667 3.182 . 0 0 "[ . ]" 1
33 1 3 GLN QG 1 7 TRP HB3 . . 4.210 2.712 2.620 2.902 . 0 0 "[ . ]" 1
34 1 3 GLN QG 1 7 TRP HD1 . . 3.730 2.446 2.040 2.918 . 0 0 "[ . ]" 1
35 1 3 GLN QG 1 9 CYS H . . 4.200 2.308 2.089 2.739 . 0 0 "[ . ]" 1
36 1 3 GLN QG 1 9 CYS HA . . 3.580 2.528 2.361 2.751 . 0 0 "[ . ]" 1
37 1 3 GLN QG 1 9 CYS QB . . 3.640 2.251 1.926 2.504 . 0 0 "[ . ]" 1
38 1 3 GLN QG 1 10 ASP H . . 4.940 4.519 4.274 4.727 . 0 0 "[ . ]" 1
39 1 3 GLN QG 1 12 LYS QB . . 5.500 4.321 4.047 4.716 . 0 0 "[ . ]" 1
40 1 3 GLN QG 1 13 ARG QB . . 4.760 5.933 5.695 6.389 1.629 3 8 [-*+*****] 1
41 1 3 GLN QG 1 13 ARG QG . . 3.650 4.398 4.231 4.630 0.980 3 8 [**+**-**] 1
42 1 3 GLN QG 1 15 CYS H . . 3.840 5.414 4.916 6.347 2.507 3 8 [**+****-] 1
43 1 3 GLN QG 1 15 CYS HA . . 3.740 3.692 3.342 4.224 0.484 3 0 "[ . ]" 1
44 1 3 GLN QG 1 15 CYS QB . . 4.590 4.704 4.282 5.144 0.554 3 1 "[ + . ]" 1
45 1 3 GLN QG 1 16 CYS H . . 4.770 5.046 4.915 5.266 0.496 2 0 "[ . ]" 1
46 1 3 GLN QG 1 25 CYS QB . . 4.890 2.007 1.889 2.158 . 0 0 "[ . ]" 1
47 1 5 TRP H 1 5 TRP QB . . 3.800 3.025 2.997 3.077 . 0 0 "[ . ]" 1
48 1 5 TRP H 1 6 NLE H . . 5.500 3.928 3.871 3.957 . 0 0 "[ . ]" 1
49 1 5 TRP H 1 7 TRP QB . . 5.340 3.399 3.331 3.445 . 0 0 "[ . ]" 1
50 1 5 TRP H 1 7 TRP HB3 . . 3.930 3.460 3.391 3.506 . 0 0 "[ . ]" 1
51 1 5 TRP H 1 7 TRP HD1 . . 5.500 4.548 4.511 4.600 . 0 0 "[ . ]" 1
52 1 5 TRP H 1 19 LEU QD . . 4.270 4.046 3.959 4.120 . 0 0 "[ . ]" 1
53 1 5 TRP HA 1 5 TRP HD1 . . 4.040 2.368 2.082 2.698 . 0 0 "[ . ]" 1
54 1 5 TRP HA 1 19 LEU QD . . 5.440 3.190 3.011 3.425 . 0 0 "[ . ]" 1
55 1 5 TRP HA 1 19 LEU HG . . 4.690 4.949 4.265 5.809 1.119 7 3 "[ -. +*]" 1
56 1 5 TRP QB 1 19 LEU QD . . 3.610 4.145 3.897 4.554 0.944 7 3 "[ -. +*]" 1
57 1 5 TRP QB 1 27 LYS QB . . 5.180 6.670 6.521 6.792 1.612 8 8 [*-*****+] 1
58 1 5 TRP QB 1 27 LYS QD . . 5.180 7.665 6.977 8.213 3.033 7 8 [**-***+*] 1
59 1 5 TRP HD1 1 6 NLE H . . 3.700 2.967 2.438 3.286 . 0 0 "[ . ]" 1
60 1 5 TRP HD1 1 6 NLE HD2 . . 5.370 7.523 6.311 8.671 3.301 6 8 [-****+**] 1
61 1 5 TRP HD1 1 6 NLE HG2 . . 4.360 6.394 3.702 7.710 3.350 1 6 "[+ **-** ]" 1
62 1 5 TRP HD1 1 7 TRP H . . 5.380 5.261 5.012 5.441 0.061 2 0 "[ . ]" 1
63 1 5 TRP HD1 1 19 LEU QB . . 5.200 5.475 4.946 6.584 1.384 8 2 "[ . -+]" 1
64 1 5 TRP HD1 1 19 LEU QD . . 3.560 2.708 2.332 3.603 0.043 8 0 "[ . ]" 1
65 1 5 TRP HD1 1 19 LEU HG . . 4.720 4.101 3.271 5.225 0.505 8 1 "[ . +]" 1
66 1 5 TRP HD1 1 24 TRP HD1 . . 5.500 6.812 6.162 7.007 1.507 2 8 [*+*****-] 1
67 1 5 TRP HD1 1 25 CYS QB . . 4.220 4.935 4.389 5.675 1.455 8 5 "[ **-*+]" 1
68 1 5 TRP HD1 1 26 ARG HA . . 3.640 3.365 3.186 3.587 . 0 0 "[ . ]" 1
69 1 5 TRP HD1 1 27 LYS H . . 4.050 3.871 3.725 4.028 . 0 0 "[ . ]" 1
70 1 5 TRP HD1 1 27 LYS HA . . 5.020 5.551 5.368 5.841 0.821 8 4 "[ *.-*+]" 1
71 1 5 TRP HD1 1 27 LYS QB . . 4.190 4.829 4.798 4.859 0.669 6 8 [*****+*-] 1
72 1 5 TRP HD1 1 27 LYS QD . . 4.870 6.226 5.920 6.584 1.714 8 8 [**-****+] 1
73 1 5 TRP HE1 1 6 NLE H . . 4.850 4.520 4.383 4.817 . 0 0 "[ . ]" 1
74 1 5 TRP HE1 1 6 NLE HA . . 5.500 5.998 5.758 6.554 1.054 8 3 "[ * . -+]" 1
75 1 5 TRP HE1 1 19 LEU QD . . 4.720 3.258 2.929 3.813 . 0 0 "[ . ]" 1
76 1 5 TRP HE1 1 26 ARG HA . . 3.910 3.617 3.306 4.028 0.118 8 0 "[ . ]" 1
77 1 5 TRP HE1 1 26 ARG QB . . 5.120 5.051 4.820 5.657 0.537 8 1 "[ . +]" 1
78 1 5 TRP HE1 1 26 ARG QD . . 5.340 2.633 2.156 3.450 . 0 0 "[ . ]" 1
79 1 5 TRP HE1 1 27 LYS H . . 4.310 2.614 2.309 3.051 . 0 0 "[ . ]" 1
80 1 5 TRP HE1 1 27 LYS HA . . 5.320 4.422 4.119 4.927 . 0 0 "[ . ]" 1
81 1 5 TRP HE1 1 27 LYS QB . . 4.490 2.807 2.578 3.284 . 0 0 "[ . ]" 1
82 1 5 TRP HE1 1 27 LYS QD . . 5.270 4.543 3.952 5.316 0.046 6 0 "[ . ]" 1
83 1 5 TRP HE1 1 27 LYS QG . . 5.340 3.075 2.383 3.475 . 0 0 "[ . ]" 1
84 1 6 NLE H 1 6 NLE HB3 . . 4.260 3.789 3.123 4.201 . 0 0 "[ . ]" 1
85 1 6 NLE H 1 6 NLE HG2 . . 5.230 4.416 2.752 5.378 0.148 4 0 "[ . ]" 1
86 1 6 NLE H 1 7 TRP H . . 4.070 2.711 2.657 2.825 . 0 0 "[ . ]" 1
87 1 6 NLE H 1 19 LEU QD . . 4.400 3.786 3.375 4.269 . 0 0 "[ . ]" 1
88 1 6 NLE H 1 24 TRP HD1 . . 4.200 4.467 4.359 4.653 0.453 7 0 "[ . ]" 1
89 1 6 NLE H 1 25 CYS H . . 4.700 4.976 4.854 5.047 0.347 8 0 "[ . ]" 1
90 1 6 NLE H 1 25 CYS HA . . 5.500 5.680 5.414 5.945 0.445 3 0 "[ . ]" 1
91 1 6 NLE H 1 25 CYS QB . . 4.390 4.165 3.768 4.620 0.230 7 0 "[ . ]" 1
92 1 6 NLE H 1 26 ARG HA . . 4.580 3.206 2.907 3.466 . 0 0 "[ . ]" 1
93 1 6 NLE HA 1 6 NLE HD2 . . 5.000 3.844 2.585 4.876 . 0 0 "[ . ]" 1
94 1 6 NLE HA 1 6 NLE HG2 . . 4.280 3.114 2.071 4.196 . 0 0 "[ . ]" 1
95 1 6 NLE HA 1 7 TRP H . . 3.610 3.232 3.043 3.311 . 0 0 "[ . ]" 1
96 1 6 NLE HA 1 8 THR H . . 3.700 6.347 6.223 6.434 2.734 1 8 [+*-*****] 1
97 1 6 NLE HA 1 24 TRP HA . . 4.350 6.169 5.928 6.320 1.970 1 8 [+*****-*] 1
98 1 6 NLE HA 1 24 TRP HD1 . . 3.250 2.988 2.835 3.252 0.002 2 0 "[ . ]" 1
99 1 6 NLE HA 1 24 TRP HE1 . . 4.550 4.374 4.080 4.704 0.154 2 0 "[ . ]" 1
100 1 6 NLE HA 1 26 ARG HA . . 5.080 4.060 3.756 4.326 . 0 0 "[ . ]" 1
101 1 6 NLE HB2 1 7 TRP H . . 4.570 4.340 3.810 4.707 0.137 3 0 "[ . ]" 1
102 1 6 NLE HB3 1 7 TRP H . . 5.040 4.127 3.782 4.579 . 0 0 "[ . ]" 1
103 1 6 NLE HB3 1 24 TRP HD1 . . 3.940 5.651 5.252 5.954 2.014 4 8 [*-*+****] 1
104 1 6 NLE HD2 1 19 LEU QD . . 5.500 7.514 6.509 8.629 3.129 3 8 [**+***-*] 1
105 1 6 NLE HD2 1 24 TRP HD1 . . 4.830 5.694 3.179 7.638 2.808 2 5 "[-+* ** ]" 1
106 1 6 NLE HD2 1 24 TRP HE1 . . 4.720 6.268 4.522 8.232 3.512 3 5 "[-*+ ** ]" 1
107 1 6 NLE HG2 1 19 LEU QD . . 3.570 6.851 5.509 7.692 4.122 1 8 [+-******] 1
108 1 6 NLE HG2 1 24 TRP HD1 . . 4.450 5.407 4.121 7.355 2.905 3 5 "[-*+*. * ]" 1
109 1 6 NLE HG2 1 24 TRP HE1 . . 5.250 6.077 4.241 8.674 3.424 3 5 "[-*+*. * ]" 1
110 1 6 NLE HG2 1 25 CYS QB . . 4.380 7.485 6.284 8.444 4.064 4 8 [*-*+****] 1
111 1 7 TRP H 1 7 TRP HB2 . . 4.040 3.268 3.226 3.357 . 0 0 "[ . ]" 1
112 1 7 TRP H 1 7 TRP HB3 . . 3.900 2.440 2.381 2.537 . 0 0 "[ . ]" 1
113 1 7 TRP H 1 7 TRP HD1 . . 3.740 4.437 4.377 4.481 0.741 2 8 [*+*****-] 1
114 1 7 TRP H 1 7 TRP HE1 . . 5.500 6.710 6.683 6.729 1.229 6 8 [*****+*-] 1
115 1 7 TRP H 1 8 THR H . . 4.150 4.499 4.446 4.530 0.380 1 0 "[ . ]" 1
116 1 7 TRP H 1 9 CYS HA . . 5.470 6.238 6.012 6.368 0.898 5 8 [**-*+***] 1
117 1 7 TRP H 1 19 LEU QD . . 5.120 4.902 4.292 5.356 0.236 3 0 "[ . ]" 1
118 1 7 TRP H 1 24 TRP HA . . 5.500 5.729 5.420 5.951 0.451 1 0 "[ . ]" 1
119 1 7 TRP H 1 24 TRP HD1 . . 5.240 4.716 4.454 4.976 . 0 0 "[ . ]" 1
120 1 7 TRP H 1 25 CYS QB . . 4.960 4.048 3.770 4.218 . 0 0 "[ . ]" 1
121 1 7 TRP HA 1 8 THR H . . 3.260 2.296 2.243 2.333 . 0 0 "[ . ]" 1
122 1 7 TRP HA 1 8 THR HB . . 4.760 5.768 5.759 5.777 1.017 8 8 [*-*****+] 1
123 1 7 TRP HA 1 24 TRP HD1 . . 5.470 5.256 5.021 5.586 0.116 3 0 "[ . ]" 1
124 1 7 TRP HB3 1 7 TRP HD1 . . 3.580 2.604 2.580 2.635 . 0 0 "[ . ]" 1
125 1 7 TRP HD1 1 8 THR H . . 4.200 4.143 4.036 4.259 0.059 2 0 "[ . ]" 1
126 1 7 TRP HD1 1 8 THR HB . . 4.810 6.020 5.723 6.267 1.457 2 8 [*+****-*] 1
127 1 7 TRP HD1 1 9 CYS HA . . 4.180 3.404 3.153 3.686 . 0 0 "[ . ]" 1
128 1 7 TRP HD1 1 10 ASP H . . 5.230 4.279 3.829 5.678 0.448 3 0 "[ . ]" 1
129 1 7 TRP HD1 1 12 LYS QB . . 5.500 2.585 2.437 3.167 . 0 0 "[ . ]" 1
130 1 7 TRP HD1 1 12 LYS QE . . 5.500 3.652 2.981 4.170 . 0 0 "[ . ]" 1
131 1 7 TRP HD1 1 13 ARG QD . . 3.850 4.857 4.740 4.965 1.115 8 8 [**-****+] 1
132 1 7 TRP HD1 1 13 ARG QG . . 4.260 3.911 3.752 4.210 . 0 0 "[ . ]" 1
133 1 7 TRP HD1 1 15 CYS H . . 5.500 7.962 7.341 8.853 3.353 3 8 [**+****-] 1
134 1 7 TRP HD1 1 19 LEU QD . . 5.440 6.407 6.123 6.680 1.240 3 8 [**+***-*] 1
135 1 7 TRP HE1 1 13 ARG QG . . 4.510 4.459 4.319 4.707 0.197 3 0 "[ . ]" 1
136 1 8 THR H 1 8 THR HB . . 3.950 3.622 3.576 3.638 . 0 0 "[ . ]" 1
137 1 8 THR H 1 9 CYS HA . . 5.050 5.608 5.420 5.788 0.738 8 6 "[ * -***+]" 1
138 1 8 THR H 1 24 TRP HA . . 4.070 4.169 3.738 4.440 0.370 3 0 "[ . ]" 1
139 1 8 THR H 1 24 TRP HD1 . . 4.570 6.098 5.979 6.260 1.690 2 8 [*+****-*] 1
140 1 8 THR H 1 25 CYS H . . 4.930 4.497 4.291 4.933 0.003 3 0 "[ . ]" 1
141 1 8 THR HA 1 9 CYS H . . 3.060 2.129 2.058 2.192 . 0 0 "[ . ]" 1
142 1 8 THR HA 1 24 TRP HA . . 3.130 2.072 2.004 2.180 . 0 0 "[ . ]" 1
143 1 8 THR HA 1 24 TRP HD1 . . 5.060 5.312 5.252 5.358 0.298 4 0 "[ . ]" 1
144 1 8 THR HA 1 25 CYS H . . 4.700 2.733 2.531 3.062 . 0 0 "[ . ]" 1
145 1 8 THR HB 1 9 CYS H . . 5.500 3.770 3.685 3.890 . 0 0 "[ . ]" 1
146 1 8 THR HB 1 9 CYS HA . . 4.940 5.400 5.149 5.530 0.590 2 3 "[ + *. -]" 1
147 1 8 THR HB 1 24 TRP HA . . 5.500 3.641 3.488 3.965 . 0 0 "[ . ]" 1
148 1 9 CYS CB 1 21 CYS SG . . 3.100 3.165 3.123 3.287 0.187 3 0 "[ . ]" 1
149 1 9 CYS H 1 9 CYS QB . . 3.750 2.359 2.042 2.666 . 0 0 "[ . ]" 1
150 1 9 CYS H 1 10 ASP H . . 4.890 4.472 4.389 4.725 . 0 0 "[ . ]" 1
151 1 9 CYS H 1 10 ASP QB . . 5.340 4.726 4.479 5.122 . 0 0 "[ . ]" 1
152 1 9 CYS H 1 12 LYS QE . . 5.500 7.371 6.853 7.949 2.449 6 8 [***-*+**] 1
153 1 9 CYS H 1 19 LEU HG . . 5.500 7.280 7.019 7.896 2.396 7 8 [****-*+*] 1
154 1 9 CYS H 1 24 TRP HA . . 3.480 3.566 2.963 3.746 0.266 5 0 "[ . ]" 1
155 1 9 CYS H 1 24 TRP QB . . 5.500 5.003 4.493 5.248 . 0 0 "[ . ]" 1
156 1 9 CYS H 1 25 CYS H . . 4.390 3.079 2.843 3.572 . 0 0 "[ . ]" 1
157 1 9 CYS HA 1 9 CYS QB . . 2.740 2.163 2.107 2.192 . 0 0 "[ . ]" 1
158 1 9 CYS HA 1 10 ASP H . . 3.160 2.506 2.255 2.786 . 0 0 "[ . ]" 1
159 1 9 CYS HA 1 10 ASP HA . . 5.500 4.470 4.341 4.753 . 0 0 "[ . ]" 1
160 1 9 CYS HA 1 10 ASP HB2 . . 4.100 4.595 4.307 4.930 0.830 5 3 "[ - +* ]" 1
161 1 9 CYS HA 1 12 LYS H . . 5.500 4.489 4.129 4.904 . 0 0 "[ . ]" 1
162 1 9 CYS HA 1 12 LYS QB . . 4.590 4.037 2.998 4.772 0.182 7 0 "[ . ]" 1
163 1 9 CYS HA 1 12 LYS QE . . 4.540 6.316 5.659 6.708 2.168 6 8 [**-**+**] 1
164 1 9 CYS HA 1 13 ARG QG . . 3.870 4.237 4.067 4.482 0.612 7 1 "[ . + ]" 1
165 1 9 CYS HA 1 15 CYS H . . 4.430 4.993 4.073 6.290 1.860 3 4 "[**+-. ]" 1
166 1 9 CYS HA 1 19 LEU QD . . 5.430 5.857 5.216 6.319 0.889 2 3 "[*+- . ]" 1
167 1 9 CYS QB 1 10 ASP H . . 3.070 3.524 1.985 4.121 1.051 7 6 "[-* ***+ ]" 1
168 1 9 CYS QB 1 12 LYS QE . . 5.500 7.341 6.825 7.695 2.195 6 8 [**-**+**] 1
169 1 9 CYS QB 1 13 ARG H . . 5.340 4.825 4.435 5.289 . 0 0 "[ . ]" 1
170 1 9 CYS QB 1 13 ARG QG . . 3.800 5.053 4.564 5.566 1.766 7 8 [**-***+*] 1
171 1 9 CYS QB 1 14 ALA H . . 5.060 4.834 4.173 5.236 0.176 7 0 "[ . ]" 1
172 1 9 CYS QB 1 15 CYS H . . 3.630 3.065 2.511 3.984 0.354 3 0 "[ . ]" 1
173 1 9 CYS QB 1 15 CYS QB . . 4.710 3.259 2.446 3.610 . 0 0 "[ . ]" 1
174 1 9 CYS QB 1 19 LEU QD . . 4.510 4.485 4.052 4.808 0.298 2 0 "[ . ]" 1
175 1 9 CYS QB 1 24 TRP HA . . 5.500 5.276 4.729 5.689 0.189 1 0 "[ . ]" 1
176 1 9 CYS QB 1 25 CYS H . . 4.960 4.391 3.783 4.799 . 0 0 "[ . ]" 1
177 1 9 CYS SG 1 21 CYS CB . . 3.100 3.112 3.006 3.207 0.107 7 0 "[ . ]" 1
178 1 9 CYS SG 1 21 CYS SG . . 2.100 2.024 1.867 2.060 . 0 0 "[ . ]" 1
179 1 10 ASP H 1 10 ASP HB3 . . 3.970 3.708 3.177 4.045 0.075 3 0 "[ . ]" 1
180 1 10 ASP H 1 11 SER H . . 5.500 3.193 2.783 4.077 . 0 0 "[ . ]" 1
181 1 10 ASP H 1 11 SER HA . . 5.240 5.045 4.644 5.945 0.705 3 1 "[ + . ]" 1
182 1 10 ASP H 1 12 LYS H . . 4.000 2.579 2.256 3.586 . 0 0 "[ . ]" 1
183 1 10 ASP H 1 12 LYS QB . . 3.690 3.527 3.292 4.238 0.548 8 1 "[ . +]" 1
184 1 10 ASP H 1 12 LYS QE . . 5.060 6.271 5.584 7.264 2.204 3 8 [**+*-***] 1
185 1 10 ASP H 1 13 ARG H . . 5.500 2.360 2.070 3.408 . 0 0 "[ . ]" 1
186 1 10 ASP H 1 13 ARG QG . . 4.230 4.307 3.963 4.788 0.558 3 1 "[ + . ]" 1
187 1 10 ASP H 1 14 ALA H . . 4.670 4.780 3.092 5.708 1.038 2 5 "[*+ *-* ]" 1
188 1 10 ASP HA 1 11 SER H . . 3.350 3.382 2.181 3.569 0.219 2 0 "[ . ]" 1
189 1 10 ASP HA 1 12 LYS H . . 4.350 3.846 3.265 4.019 . 0 0 "[ . ]" 1
190 1 10 ASP HB2 1 11 SER H . . 3.520 3.129 2.595 3.990 0.470 3 0 "[ . ]" 1
191 1 10 ASP HB3 1 11 SER H . . 3.410 2.298 2.072 3.129 . 0 0 "[ . ]" 1
192 1 10 ASP HB3 1 11 SER HA . . 4.490 4.158 3.731 4.932 0.442 3 0 "[ . ]" 1
193 1 10 ASP HB3 1 11 SER QB . . 4.690 3.644 3.444 3.855 . 0 0 "[ . ]" 1
194 1 11 SER H 1 11 SER QB . . 3.370 2.228 2.053 3.059 . 0 0 "[ . ]" 1
195 1 11 SER H 1 12 LYS H . . 3.330 2.655 2.593 2.835 . 0 0 "[ . ]" 1
196 1 11 SER QB 1 12 LYS QB . . 5.340 3.987 3.646 4.401 . 0 0 "[ . ]" 1
197 1 11 SER QB 1 12 LYS QE . . 4.450 5.395 4.593 5.995 1.545 2 6 "[*+**.* -]" 1
198 1 12 LYS H 1 12 LYS QB . . 3.150 2.517 2.436 2.710 . 0 0 "[ . ]" 1
199 1 12 LYS H 1 12 LYS QE . . 4.320 5.070 4.504 5.870 1.550 3 5 "[**+ .- *]" 1
200 1 12 LYS H 1 13 ARG H . . 3.620 2.101 1.853 2.224 . 0 0 "[ . ]" 1
201 1 12 LYS H 1 13 ARG QG . . 5.340 4.204 3.740 4.321 . 0 0 "[ . ]" 1
202 1 12 LYS QB 1 12 LYS QE . . 2.900 2.208 1.940 3.180 0.280 3 0 "[ . ]" 1
203 1 12 LYS QB 1 13 ARG H . . 3.280 2.420 2.300 2.696 . 0 0 "[ . ]" 1
204 1 12 LYS QB 1 13 ARG HB3 . . 4.520 4.455 4.203 4.703 0.183 8 0 "[ . ]" 1
205 1 12 LYS QE 1 13 ARG H . . 4.070 5.201 4.937 5.983 1.913 3 8 [*-+*****] 1
206 1 12 LYS QE 1 13 ARG QG . . 4.230 4.150 3.678 4.378 0.148 5 0 "[ . ]" 1
207 1 13 ARG H 1 13 ARG HB3 . . 3.640 3.795 3.766 3.831 0.191 2 0 "[ . ]" 1
208 1 13 ARG H 1 13 ARG QD . . 5.340 3.934 3.642 4.669 . 0 0 "[ . ]" 1
209 1 13 ARG H 1 13 ARG QG . . 4.350 2.566 2.428 2.800 . 0 0 "[ . ]" 1
210 1 13 ARG QG 1 14 ALA H . . 4.610 3.583 1.845 4.120 . 0 0 "[ . ]" 1
211 1 13 ARG QG 1 15 CYS H . . 3.840 6.014 5.531 6.249 2.409 2 8 [*+*****-] 1
212 1 13 ARG QG 1 15 CYS HA . . 4.280 5.224 4.992 5.396 1.116 8 8 [***-***+] 1
213 1 13 ARG QG 1 16 CYS H . . 5.340 6.510 6.246 6.603 1.263 1 8 [+-******] 1
214 1 15 CYS CB 1 25 CYS SG . . 3.100 3.001 2.480 3.160 0.060 7 0 "[ . ]" 1
215 1 15 CYS H 1 15 CYS QB . . 3.860 2.317 2.097 2.503 . 0 0 "[ . ]" 1
216 1 15 CYS H 1 16 CYS H . . 5.500 4.596 4.490 4.661 . 0 0 "[ . ]" 1
217 1 15 CYS H 1 16 CYS HA . . 5.500 5.421 5.196 5.686 0.186 7 0 "[ . ]" 1
218 1 15 CYS H 1 19 LEU QB . . 5.500 5.500 5.154 5.711 0.211 3 0 "[ . ]" 1
219 1 15 CYS H 1 19 LEU QD . . 4.880 5.348 5.069 5.560 0.680 3 4 "[-*+ * ]" 1
220 1 15 CYS HA 1 16 CYS H . . 3.150 2.341 2.210 2.493 . 0 0 "[ . ]" 1
221 1 15 CYS HA 1 19 LEU QD . . 4.650 3.172 2.680 3.441 . 0 0 "[ . ]" 1
222 1 15 CYS QB 1 16 CYS H . . 4.460 2.616 2.255 2.913 . 0 0 "[ . ]" 1
223 1 15 CYS QB 1 18 GLY H . . 5.450 5.049 2.715 5.795 0.345 2 0 "[ . ]" 1
224 1 15 CYS QB 1 19 LEU H . . 3.890 4.424 4.070 4.707 0.817 3 5 "[**+*.- ]" 1
225 1 15 CYS QB 1 19 LEU HA . . 4.960 5.074 4.545 5.450 0.490 4 0 "[ . ]" 1
226 1 15 CYS QB 1 19 LEU QB . . 3.570 2.517 1.935 2.861 . 0 0 "[ . ]" 1
227 1 15 CYS QB 1 19 LEU QD . . 3.420 3.183 2.724 3.477 0.057 3 0 "[ . ]" 1
228 1 15 CYS QB 1 19 LEU HG . . 3.860 4.830 4.557 5.126 1.266 4 8 [***+**-*] 1
229 1 15 CYS QB 1 20 ARG H . . 4.700 4.643 4.469 4.788 0.088 3 0 "[ . ]" 1
230 1 15 CYS QB 1 20 ARG QG . . 4.640 5.910 5.803 6.092 1.452 3 8 [**+**-**] 1
231 1 15 CYS QB 1 21 CYS H . . 3.910 3.802 3.507 4.297 0.387 7 0 "[ . ]" 1
232 1 15 CYS QB 1 21 CYS QB . . 4.880 2.802 2.119 3.593 . 0 0 "[ . ]" 1
233 1 15 CYS QB 1 25 CYS H . . 5.500 6.362 5.820 6.731 1.231 7 7 "[ ****-+*]" 1
234 1 15 CYS QB 1 25 CYS QB . . 4.120 3.859 3.666 4.178 0.058 2 0 "[ . ]" 1
235 1 15 CYS SG 1 25 CYS CB . . 3.100 3.009 2.446 3.334 0.234 5 0 "[ . ]" 1
236 1 15 CYS SG 1 25 CYS SG . . 2.100 1.727 0.749 2.044 . 0 0 "[ . ]" 1
237 1 16 CYS H 1 16 CYS QB . . 3.020 2.140 2.087 2.196 . 0 0 "[ . ]" 1
238 1 16 CYS H 1 17 GLU H . . 4.690 4.425 3.747 4.562 . 0 0 "[ . ]" 1
239 1 16 CYS H 1 19 LEU QD . . 3.860 1.957 1.800 2.603 . 0 0 "[ . ]" 1
240 1 16 CYS HA 1 17 GLU H . . 2.920 2.614 2.460 2.711 . 0 0 "[ . ]" 1
241 1 16 CYS HA 1 18 GLY H . . 5.000 5.637 4.126 6.034 1.034 3 6 "[**+-.* *]" 1
242 1 16 CYS QB 1 17 GLU H . . 3.440 2.542 2.195 3.973 0.533 7 1 "[ . + ]" 1
243 1 17 GLU H 1 18 GLY H . . 4.300 4.263 2.848 4.582 0.282 3 0 "[ . ]" 1
244 1 17 GLU H 1 19 LEU QB . . 5.500 4.789 4.510 5.287 . 0 0 "[ . ]" 1
245 1 17 GLU H 1 19 LEU HG . . 5.500 7.356 7.025 8.308 2.808 7 8 [**-***+*] 1
246 1 17 GLU HA 1 18 GLY H . . 3.020 2.261 2.142 2.965 . 0 0 "[ . ]" 1
247 1 18 GLY H 1 19 LEU H . . 3.580 3.036 2.721 3.689 0.109 7 0 "[ . ]" 1
248 1 18 GLY H 1 19 LEU QB . . 5.500 4.267 3.445 4.646 . 0 0 "[ . ]" 1
249 1 18 GLY H 1 19 LEU QD . . 5.500 4.570 4.061 4.801 . 0 0 "[ . ]" 1
250 1 18 GLY H 1 19 LEU HG . . 4.820 7.019 6.421 7.284 2.464 2 8 [*+****-*] 1
251 1 18 GLY HA3 1 19 LEU HA . . 4.570 4.359 4.330 4.385 . 0 0 "[ . ]" 1
252 1 18 GLY HA3 1 19 LEU QD . . 4.270 3.869 3.449 4.215 . 0 0 "[ . ]" 1
253 1 19 LEU H 1 19 LEU QB . . 3.820 2.222 2.040 2.919 . 0 0 "[ . ]" 1
254 1 19 LEU H 1 19 LEU QD . . 4.030 2.424 2.060 2.774 . 0 0 "[ . ]" 1
255 1 19 LEU H 1 19 LEU HG . . 3.520 4.260 4.149 4.342 0.822 8 8 [*-*****+] 1
256 1 19 LEU H 1 20 ARG H . . 4.670 4.617 4.574 4.644 . 0 0 "[ . ]" 1
257 1 19 LEU H 1 20 ARG HA . . 5.500 5.570 5.517 5.604 0.104 7 0 "[ . ]" 1
258 1 19 LEU H 1 20 ARG QB . . 5.340 6.025 5.873 6.127 0.787 5 8 [****+*-*] 1
259 1 19 LEU H 1 25 CYS QB . . 5.340 6.106 5.631 6.793 1.453 7 4 "[ *.*+-]" 1
260 1 19 LEU H 1 27 LYS HA . . 5.500 4.789 4.358 5.112 . 0 0 "[ . ]" 1
261 1 19 LEU H 1 28 GLU QB . . 5.340 5.887 5.094 6.865 1.525 1 3 "[+ -.* ]" 1
262 1 19 LEU HA 1 19 LEU QD . . 3.980 1.958 1.874 2.232 . 0 0 "[ . ]" 1
263 1 19 LEU HA 1 19 LEU HG . . 3.710 2.751 2.496 2.959 . 0 0 "[ . ]" 1
264 1 19 LEU HA 1 20 ARG H . . 3.130 2.532 2.416 2.723 . 0 0 "[ . ]" 1
265 1 19 LEU HA 1 20 ARG HA . . 4.570 4.456 4.405 4.495 . 0 0 "[ . ]" 1
266 1 19 LEU HA 1 20 ARG QB . . 5.340 4.331 4.289 4.386 . 0 0 "[ . ]" 1
267 1 19 LEU HA 1 25 CYS QB . . 5.340 5.132 4.464 5.787 0.447 4 0 "[ . ]" 1
268 1 19 LEU HA 1 27 LYS HA . . 3.630 3.172 2.848 3.417 . 0 0 "[ . ]" 1
269 1 19 LEU HA 1 27 LYS QB . . 5.500 5.232 4.987 5.493 . 0 0 "[ . ]" 1
270 1 19 LEU HA 1 27 LYS QG . . 4.350 4.711 4.134 5.081 0.731 8 3 "[* . -+]" 1
271 1 19 LEU HA 1 28 GLU H . . 4.880 4.093 3.894 4.316 . 0 0 "[ . ]" 1
272 1 19 LEU HA 1 28 GLU QG . . 5.340 5.098 3.390 6.381 1.041 2 2 "[ + -. ]" 1
273 1 19 LEU QB 1 20 ARG H . . 3.800 2.286 2.012 2.467 . 0 0 "[ . ]" 1
274 1 19 LEU QB 1 21 CYS H . . 4.890 4.125 3.680 4.398 . 0 0 "[ . ]" 1
275 1 19 LEU QB 1 25 CYS H . . 5.360 5.633 5.265 6.000 0.640 4 2 "[ +.- ]" 1
276 1 19 LEU QB 1 25 CYS QB . . 3.520 3.012 2.526 3.608 0.088 4 0 "[ . ]" 1
277 1 19 LEU QB 1 26 ARG H . . 4.670 3.043 2.824 3.312 . 0 0 "[ . ]" 1
278 1 19 LEU QB 1 26 ARG QD . . 5.230 6.117 5.987 6.316 1.086 8 8 [*****-*+] 1
279 1 19 LEU QB 1 27 LYS QB . . 5.340 6.152 5.960 6.309 0.969 8 8 [***-***+] 1
280 1 19 LEU QB 1 27 LYS QG . . 4.470 5.403 5.004 5.604 1.134 1 8 [+**-****] 1
281 1 19 LEU QD 1 20 ARG H . . 4.490 3.404 3.187 3.524 . 0 0 "[ . ]" 1
282 1 19 LEU QD 1 21 CYS H . . 5.440 5.423 4.938 5.734 0.294 5 0 "[ . ]" 1
283 1 19 LEU QD 1 21 CYS QB . . 5.280 5.438 5.043 6.069 0.789 3 2 "[ + - ]" 1
284 1 19 LEU QD 1 24 TRP HD1 . . 5.490 5.561 4.752 5.991 0.501 2 1 "[ + . ]" 1
285 1 19 LEU QD 1 25 CYS H . . 4.960 4.974 4.331 5.447 0.487 2 0 "[ . ]" 1
286 1 19 LEU QD 1 25 CYS QB . . 3.500 2.445 2.034 2.823 . 0 0 "[ . ]" 1
287 1 19 LEU QD 1 26 ARG H . . 5.000 3.091 2.677 3.278 . 0 0 "[ . ]" 1
288 1 19 LEU QD 1 26 ARG HA . . 4.300 2.868 2.118 3.128 . 0 0 "[ . ]" 1
289 1 19 LEU QD 1 26 ARG QD . . 4.440 3.855 3.747 3.908 . 0 0 "[ . ]" 1
290 1 19 LEU QD 1 27 LYS H . . 4.440 2.863 2.619 3.075 . 0 0 "[ . ]" 1
291 1 19 LEU QD 1 27 LYS HA . . 4.240 2.012 1.925 2.498 . 0 0 "[ . ]" 1
292 1 19 LEU QD 1 27 LYS QB . . 3.450 3.419 3.256 3.734 0.284 7 0 "[ . ]" 1
293 1 19 LEU QD 1 27 LYS QG . . 3.730 2.547 2.344 2.679 . 0 0 "[ . ]" 1
294 1 19 LEU QD 1 28 GLU H . . 4.540 3.641 3.363 3.996 . 0 0 "[ . ]" 1
295 1 19 LEU HG 1 20 ARG H . . 4.880 3.037 2.598 3.488 . 0 0 "[ . ]" 1
296 1 19 LEU HG 1 21 CYS H . . 5.500 6.303 5.900 6.682 1.182 5 7 "[***-+* *]" 1
297 1 19 LEU HG 1 25 CYS QB . . 4.530 3.123 2.303 4.227 . 0 0 "[ . ]" 1
298 1 19 LEU HG 1 27 LYS HA . . 4.000 3.846 3.076 4.304 0.304 2 0 "[ . ]" 1
299 1 20 ARG H 1 20 ARG QB . . 3.400 3.079 2.976 3.163 . 0 0 "[ . ]" 1
300 1 20 ARG H 1 20 ARG HG2 . . 5.010 2.131 1.933 2.580 . 0 0 "[ . ]" 1
301 1 20 ARG H 1 20 ARG QG . . 4.320 2.060 1.923 2.272 . 0 0 "[ . ]" 1
302 1 20 ARG H 1 20 ARG HG3 . . 5.010 3.275 2.524 3.781 . 0 0 "[ . ]" 1
303 1 20 ARG H 1 25 CYS HA . . 4.670 2.869 2.650 3.139 . 0 0 "[ . ]" 1
304 1 20 ARG H 1 25 CYS QB . . 4.760 4.009 3.599 4.354 . 0 0 "[ . ]" 1
305 1 20 ARG H 1 26 ARG H . . 4.460 2.071 1.926 2.322 . 0 0 "[ . ]" 1
306 1 20 ARG H 1 27 LYS HA . . 4.530 4.997 4.690 5.156 0.626 3 5 "[**+ * -]" 1
307 1 20 ARG H 1 28 GLU H . . 5.160 5.898 5.458 6.317 1.157 2 7 "[*+*-** *]" 1
308 1 20 ARG H 1 28 GLU QG . . 5.340 5.786 3.778 7.166 1.826 2 4 "[ + *.-* ]" 1
309 1 20 ARG HA 1 21 CYS H . . 3.000 2.153 2.103 2.245 . 0 0 "[ . ]" 1
310 1 20 ARG HA 1 25 CYS HA . . 5.500 4.692 4.518 4.907 . 0 0 "[ . ]" 1
311 1 20 ARG QB 1 21 CYS H . . 4.370 3.603 3.487 3.806 . 0 0 "[ . ]" 1
312 1 20 ARG QB 1 26 ARG QD . . 5.180 7.322 6.566 7.700 2.520 2 8 [*+****-*] 1
313 1 20 ARG QG 1 21 CYS H . . 4.260 4.397 4.314 4.457 0.197 2 0 "[ . ]" 1
314 1 20 ARG QG 1 26 ARG QD . . 5.180 5.577 4.966 5.935 0.755 3 3 "[ -+ * ]" 1
315 1 20 ARG QG 1 26 ARG HE . . 5.340 6.260 5.345 7.663 2.323 7 5 "[ *-**+ ]" 1
316 1 21 CYS H 1 21 CYS QB . . 3.580 2.156 2.043 2.229 . 0 0 "[ . ]" 1
317 1 21 CYS H 1 22 LYS H . . 4.620 4.264 2.693 4.543 . 0 0 "[ . ]" 1
318 1 21 CYS H 1 25 CYS HA . . 5.500 4.527 4.290 4.675 . 0 0 "[ . ]" 1
319 1 21 CYS HA 1 22 LYS H . . 3.120 2.818 2.674 3.315 0.195 1 0 "[ . ]" 1
320 1 21 CYS HA 1 23 LEU H . . 5.500 5.653 5.237 5.980 0.480 8 0 "[ . ]" 1
321 1 21 CYS QB 1 22 LYS H . . 3.710 2.704 1.996 3.249 . 0 0 "[ . ]" 1
322 1 21 CYS QB 1 25 CYS QB . . 4.340 4.658 4.194 5.285 0.945 3 1 "[ + . ]" 1
323 1 22 LYS H 1 23 LEU H . . 4.440 3.983 3.386 4.565 0.125 8 0 "[ . ]" 1
324 1 22 LYS H 1 23 LEU HG . . 4.300 7.096 5.356 7.939 3.639 1 8 [+*****-*] 1
325 1 22 LYS HA 1 23 LEU H . . 3.360 2.406 2.139 3.179 . 0 0 "[ . ]" 1
326 1 23 LEU H 1 23 LEU MD2 . . 4.050 4.177 3.491 5.022 0.972 6 1 "[ .+ ]" 1
327 1 23 LEU H 1 23 LEU HG . . 3.490 3.512 1.975 4.444 0.954 6 5 "[*-**.+ ]" 1
328 1 23 LEU H 1 24 TRP H . . 4.390 3.310 2.916 3.647 . 0 0 "[ . ]" 1
329 1 23 LEU H 1 24 TRP HA . . 5.500 5.033 4.833 5.324 . 0 0 "[ . ]" 1
330 1 23 LEU H 1 24 TRP QB . . 5.010 5.347 5.175 5.568 0.558 1 1 "[+ . ]" 1
331 1 23 LEU H 1 25 CYS HA . . 5.500 7.291 7.128 7.443 1.943 2 8 [*+*****-] 1
332 1 23 LEU HA 1 23 LEU MD2 . . 3.200 2.763 2.373 3.714 0.514 6 1 "[ .+ ]" 1
333 1 23 LEU HA 1 23 LEU HG . . 3.660 2.591 2.338 2.866 . 0 0 "[ . ]" 1
334 1 23 LEU QB 1 23 LEU MD2 . . 2.870 2.148 1.986 2.306 . 0 0 "[ . ]" 1
335 1 23 LEU QB 1 24 TRP H . . 3.480 2.420 2.099 2.945 . 0 0 "[ . ]" 1
336 1 23 LEU QB 1 24 TRP QB . . 3.640 3.321 3.228 3.377 . 0 0 "[ . ]" 1
337 1 23 LEU MD2 1 24 TRP H . . 4.720 4.171 3.376 5.037 0.317 7 0 "[ . ]" 1
338 1 23 LEU HG 1 24 TRP H . . 4.190 4.652 4.243 4.977 0.787 3 4 "[-*+*. ]" 1
339 1 24 TRP H 1 24 TRP QB . . 3.770 3.144 3.058 3.190 . 0 0 "[ . ]" 1
340 1 24 TRP H 1 25 CYS H . . 5.440 4.242 4.146 4.371 . 0 0 "[ . ]" 1
341 1 24 TRP H 1 25 CYS HA . . 4.760 4.527 4.469 4.656 . 0 0 "[ . ]" 1
342 1 24 TRP HA 1 24 TRP HD1 . . 4.370 4.053 3.961 4.154 . 0 0 "[ . ]" 1
343 1 24 TRP HA 1 25 CYS H . . 3.340 2.282 2.216 2.483 . 0 0 "[ . ]" 1
344 1 24 TRP HA 1 25 CYS HA . . 4.720 4.377 4.318 4.529 . 0 0 "[ . ]" 1
345 1 24 TRP QB 1 24 TRP HD1 . . 3.600 2.641 2.611 2.670 . 0 0 "[ . ]" 1
346 1 24 TRP QB 1 25 CYS H . . 4.340 2.958 2.805 3.088 . 0 0 "[ . ]" 1
347 1 24 TRP HD1 1 25 CYS H . . 4.560 3.176 2.512 3.473 . 0 0 "[ . ]" 1
348 1 24 TRP HD1 1 25 CYS HA . . 4.810 4.047 3.598 4.329 . 0 0 "[ . ]" 1
349 1 24 TRP HD1 1 25 CYS QB . . 4.510 4.517 4.415 4.775 0.265 5 0 "[ . ]" 1
350 1 24 TRP HD1 1 26 ARG HA . . 5.320 4.380 4.233 4.504 . 0 0 "[ . ]" 1
351 1 24 TRP HD1 1 26 ARG QB . . 5.500 2.592 2.280 2.904 . 0 0 "[ . ]" 1
352 1 24 TRP HE1 1 25 CYS QB . . 5.500 6.069 5.703 6.372 0.872 8 4 "[* -* +]" 1
353 1 24 TRP HE1 1 26 ARG HA . . 5.010 4.483 4.318 4.642 . 0 0 "[ . ]" 1
354 1 24 TRP HE1 1 26 ARG QB . . 5.400 1.899 1.832 2.022 . 0 0 "[ . ]" 1
355 1 25 CYS H 1 25 CYS QB . . 3.840 2.285 2.164 2.656 . 0 0 "[ . ]" 1
356 1 25 CYS H 1 26 ARG H . . 4.720 4.523 4.295 4.577 . 0 0 "[ . ]" 1
357 1 25 CYS HA 1 26 ARG H . . 3.090 2.147 2.036 2.254 . 0 0 "[ . ]" 1
358 1 25 CYS HA 1 26 ARG HA . . 4.530 4.405 4.280 4.502 . 0 0 "[ . ]" 1
359 1 25 CYS QB 1 26 ARG H . . 4.320 3.211 2.970 3.537 . 0 0 "[ . ]" 1
360 1 25 CYS QB 1 26 ARG HA . . 5.100 4.081 3.808 4.385 . 0 0 "[ . ]" 1
361 1 25 CYS QB 1 26 ARG QD . . 4.100 5.726 5.294 6.332 2.232 7 8 [-*****+*] 1
362 1 25 CYS QB 1 27 LYS H . . 5.160 5.903 5.574 6.215 1.055 7 5 "[ **-+*]" 1
363 1 26 ARG H 1 26 ARG QB . . 3.870 2.903 2.844 2.967 . 0 0 "[ . ]" 1
364 1 26 ARG H 1 26 ARG QD . . 4.190 4.608 4.564 4.753 0.563 4 1 "[ +. ]" 1
365 1 26 ARG H 1 26 ARG QG . . 3.850 4.235 4.195 4.312 0.462 6 0 "[ . ]" 1
366 1 26 ARG H 1 27 LYS H . . 4.910 4.258 4.202 4.289 . 0 0 "[ . ]" 1
367 1 26 ARG H 1 27 LYS QB . . 4.800 5.766 5.728 5.809 1.009 8 8 [****-**+] 1
368 1 26 ARG HA 1 26 ARG QD . . 4.100 2.266 1.971 2.774 . 0 0 "[ . ]" 1
369 1 26 ARG HA 1 27 LYS H . . 3.390 2.275 2.253 2.296 . 0 0 "[ . ]" 1
370 1 26 ARG QB 1 26 ARG HE . . 4.970 2.828 1.947 4.285 . 0 0 "[ . ]" 1
371 1 26 ARG QB 1 27 LYS H . . 4.660 3.115 3.035 3.203 . 0 0 "[ . ]" 1
372 1 26 ARG QB 1 28 GLU H . . 5.500 5.656 5.532 5.801 0.301 6 0 "[ . ]" 1
373 1 26 ARG QD 1 27 LYS H . . 4.570 1.922 1.859 1.954 . 0 0 "[ . ]" 1
374 1 26 ARG QD 1 28 GLU H . . 2.760 5.882 5.169 6.225 3.465 2 8 [*+****-*] 1
375 1 27 LYS H 1 27 LYS QB . . 3.890 2.072 2.042 2.113 . 0 0 "[ . ]" 1
376 1 27 LYS H 1 27 LYS QD . . 5.340 4.321 4.158 4.378 . 0 0 "[ . ]" 1
377 1 27 LYS H 1 27 LYS QG . . 4.580 3.181 2.996 3.327 . 0 0 "[ . ]" 1
378 1 27 LYS H 1 28 GLU H . . 4.550 4.636 4.623 4.649 0.099 6 0 "[ . ]" 1
379 1 27 LYS HA 1 28 GLU H . . 3.010 2.267 2.221 2.336 . 0 0 "[ . ]" 1
380 1 27 LYS QB 1 28 GLU H . . 4.460 3.015 2.793 3.184 . 0 0 "[ . ]" 1
381 1 27 LYS QG 1 28 GLU H . . 4.700 3.337 2.727 3.941 . 0 0 "[ . ]" 1
382 1 28 GLU H 1 28 GLU HB2 . . 4.190 2.795 2.064 4.051 . 0 0 "[ . ]" 1
383 1 28 GLU H 1 28 GLU QB . . 3.390 2.412 2.041 3.233 . 0 0 "[ . ]" 1
384 1 28 GLU H 1 28 GLU HB3 . . 4.190 2.981 2.524 3.398 . 0 0 "[ . ]" 1
385 1 28 GLU H 1 28 GLU QG . . 4.720 3.425 2.149 4.029 . 0 0 "[ . ]" 1
386 1 28 GLU QB 1 29 ILE H . . 4.390 3.168 2.392 4.028 . 0 0 "[ . ]" 1
387 1 29 ILE H 1 29 ILE HB . . 4.060 3.191 2.625 3.808 . 0 0 "[ . ]" 1
388 1 29 ILE HA 1 29 ILE MD . . 3.940 3.505 2.052 4.057 0.117 5 0 "[ . ]" 1
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