NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
411434 |
2aqc   |
6845 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2aqc
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 1000
_Distance_constraint_stats_list.Viol_count 1422
_Distance_constraint_stats_list.Viol_total 1146.829
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0403
_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 4 MET 0.034 0.020 8 0 "[ . 1 . 2]"
1 5 VAL 0.633 0.158 16 0 "[ . 1 . 2]"
1 6 GLU 0.136 0.023 13 0 "[ . 1 . 2]"
1 7 MET 0.368 0.111 15 0 "[ . 1 . 2]"
1 8 ARG 1.495 0.194 19 0 "[ . 1 . 2]"
1 9 MET 0.981 0.112 18 0 "[ . 1 . 2]"
1 10 LYS 2.263 0.113 14 0 "[ . 1 . 2]"
1 11 LYS 4.950 0.143 20 0 "[ . 1 . 2]"
1 12 CYS 0.156 0.016 12 0 "[ . 1 . 2]"
1 13 PRO 4.033 0.173 20 0 "[ . 1 . 2]"
1 14 LYS 5.837 0.173 20 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 1.230 0.080 13 0 "[ . 1 . 2]"
1 17 LEU 3.203 0.169 7 0 "[ . 1 . 2]"
1 18 TYR 2.444 0.169 7 0 "[ . 1 . 2]"
1 19 THR 1.752 0.078 10 0 "[ . 1 . 2]"
1 20 LEU 1.108 0.091 10 0 "[ . 1 . 2]"
1 21 LYS 2.560 0.091 10 0 "[ . 1 . 2]"
1 22 GLU 6.361 0.137 18 0 "[ . 1 . 2]"
1 23 ILE 3.941 0.137 18 0 "[ . 1 . 2]"
1 24 CYS 1.433 0.161 19 0 "[ . 1 . 2]"
1 25 PRO 6.264 0.166 14 0 "[ . 1 . 2]"
1 26 LYS 4.920 0.166 14 0 "[ . 1 . 2]"
1 27 CYS 4.664 0.155 9 0 "[ . 1 . 2]"
1 28 GLY 0.620 0.163 14 0 "[ . 1 . 2]"
1 29 GLU 2.823 0.195 14 0 "[ . 1 . 2]"
1 30 LYS 2.077 0.078 4 0 "[ . 1 . 2]"
1 31 THR 2.084 0.078 4 0 "[ . 1 . 2]"
1 32 VAL 3.488 0.099 17 0 "[ . 1 . 2]"
1 33 ILE 0.600 0.143 20 0 "[ . 1 . 2]"
1 34 PRO 1.142 0.087 20 0 "[ . 1 . 2]"
1 35 LYS 2.588 0.183 17 0 "[ . 1 . 2]"
1 36 PRO 0.035 0.020 4 0 "[ . 1 . 2]"
1 37 PRO 0.726 0.074 10 0 "[ . 1 . 2]"
1 38 LYS 1.064 0.074 10 0 "[ . 1 . 2]"
1 39 PHE 0.253 0.066 10 0 "[ . 1 . 2]"
1 40 SER 0.208 0.066 10 0 "[ . 1 . 2]"
1 41 LEU 0.150 0.034 1 0 "[ . 1 . 2]"
1 42 GLU 0.387 0.090 9 0 "[ . 1 . 2]"
1 43 ASP 0.315 0.090 9 0 "[ . 1 . 2]"
1 44 ARG 0.418 0.057 5 0 "[ . 1 . 2]"
1 45 TRP 0.010 0.004 3 0 "[ . 1 . 2]"
1 46 GLY 0.448 0.046 12 0 "[ . 1 . 2]"
1 47 LYS 0.105 0.014 5 0 "[ . 1 . 2]"
1 48 TYR 0.068 0.026 16 0 "[ . 1 . 2]"
1 49 ARG 0.465 0.070 17 0 "[ . 1 . 2]"
1 50 ARG 1.082 0.102 16 0 "[ . 1 . 2]"
1 51 MET 0.583 0.068 15 0 "[ . 1 . 2]"
1 52 LEU 1.046 0.100 2 0 "[ . 1 . 2]"
1 53 LYS 2.215 0.138 17 0 "[ . 1 . 2]"
1 54 ARG 0.729 0.152 3 0 "[ . 1 . 2]"
1 55 ALA 0.093 0.058 18 0 "[ . 1 . 2]"
1 56 LEU 0.835 0.096 13 0 "[ . 1 . 2]"
1 57 LYS 0.025 0.019 19 0 "[ . 1 . 2]"
1 58 ASN 0.003 0.002 7 0 "[ . 1 . 2]"
1 59 LYS 0.662 0.112 19 0 "[ . 1 . 2]"
1 60 ASN 0.045 0.028 6 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 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 4 MET HA 1 4 MET ME . . 5.360 4.247 2.971 5.332 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET H 1 4 MET HB2 . . 4.130 2.759 2.185 3.864 . 0 0 "[ . 1 . 2]" 1
3 1 4 MET H 1 4 MET QG . . 4.090 3.110 2.112 4.048 . 0 0 "[ . 1 . 2]" 1
4 1 4 MET H 1 4 MET HB3 . . 3.800 3.094 2.361 3.633 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET ME 1 4 MET QG . . 3.460 2.144 1.973 2.372 . 0 0 "[ . 1 . 2]" 1
6 1 4 MET HA 1 4 MET HB3 . . 3.000 2.691 2.375 3.020 0.020 8 0 "[ . 1 . 2]" 1
7 1 4 MET HA 1 4 MET HB2 . . 3.000 2.694 2.375 3.013 0.013 6 0 "[ . 1 . 2]" 1
8 1 4 MET HA 1 5 VAL H . . 3.500 2.536 2.142 3.498 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL HA 1 5 VAL HB . . 2.860 2.591 2.424 3.018 0.158 16 0 "[ . 1 . 2]" 1
10 1 5 VAL H 1 5 VAL HB . . 3.800 3.264 2.499 3.804 0.004 9 0 "[ . 1 . 2]" 1
11 1 5 VAL HB 1 6 GLU H . . 5.000 3.382 2.002 4.362 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL QG 1 6 GLU H . . 4.200 2.748 2.053 3.675 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL HA 1 6 GLU H . . 3.200 2.290 2.162 2.586 . 0 0 "[ . 1 . 2]" 1
14 1 6 GLU H 1 6 GLU QG . . 4.200 3.022 1.990 4.198 . 0 0 "[ . 1 . 2]" 1
15 1 6 GLU H 1 6 GLU HB3 . . 4.000 3.366 2.463 3.992 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLU H 1 6 GLU HB2 . . 4.200 2.904 2.192 3.861 . 0 0 "[ . 1 . 2]" 1
17 1 6 GLU HA 1 6 GLU QG . . 3.460 2.706 2.136 3.452 . 0 0 "[ . 1 . 2]" 1
18 1 6 GLU HA 1 6 GLU HB2 . . 3.000 2.816 2.396 3.023 0.023 16 0 "[ . 1 . 2]" 1
19 1 6 GLU HB2 1 6 GLU QG . . 2.800 2.264 2.140 2.468 . 0 0 "[ . 1 . 2]" 1
20 1 6 GLU HA 1 6 GLU HB3 . . 3.000 2.595 2.375 3.023 0.023 13 0 "[ . 1 . 2]" 1
21 1 6 GLU QG 1 7 MET H . . 5.500 3.930 2.364 4.650 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLU HB3 1 7 MET H . . 5.000 3.593 2.074 4.525 . 0 0 "[ . 1 . 2]" 1
23 1 6 GLU HB2 1 7 MET H . . 5.000 3.899 2.603 4.538 . 0 0 "[ . 1 . 2]" 1
24 1 7 MET H 1 7 MET HG2 . . 5.140 3.852 2.057 5.117 . 0 0 "[ . 1 . 2]" 1
25 1 7 MET H 1 7 MET HG3 . . 5.000 4.105 3.153 4.976 . 0 0 "[ . 1 . 2]" 1
26 1 7 MET H 1 7 MET HB3 . . 3.910 3.296 2.329 3.803 . 0 0 "[ . 1 . 2]" 1
27 1 7 MET HA 1 7 MET HG3 . . 4.200 3.160 2.192 4.181 . 0 0 "[ . 1 . 2]" 1
28 1 7 MET H 1 7 MET HB2 . . 3.500 2.849 2.110 3.611 0.111 15 0 "[ . 1 . 2]" 1
29 1 7 MET HB3 1 7 MET HG2 . . 3.000 2.659 2.278 3.010 0.010 2 0 "[ . 1 . 2]" 1
30 1 7 MET HB3 1 7 MET HG3 . . 3.000 2.786 2.437 3.009 0.009 18 0 "[ . 1 . 2]" 1
31 1 7 MET HB2 1 7 MET HG3 . . 3.000 2.430 2.211 2.995 . 0 0 "[ . 1 . 2]" 1
32 1 7 MET HB2 1 7 MET HG2 . . 3.000 2.789 2.443 3.011 0.011 6 0 "[ . 1 . 2]" 1
33 1 7 MET HA 1 7 MET HB3 . . 3.000 2.708 2.375 3.020 0.020 18 0 "[ . 1 . 2]" 1
34 1 7 MET HA 1 7 MET HB2 . . 3.000 2.783 2.366 3.023 0.023 4 0 "[ . 1 . 2]" 1
35 1 7 MET HG2 1 8 ARG H . . 5.500 3.627 2.068 4.765 . 0 0 "[ . 1 . 2]" 1
36 1 7 MET HG3 1 8 ARG H . . 5.500 4.062 2.562 5.198 . 0 0 "[ . 1 . 2]" 1
37 1 7 MET HB3 1 8 ARG H . . 4.800 3.382 2.369 4.274 . 0 0 "[ . 1 . 2]" 1
38 1 7 MET HB2 1 8 ARG H . . 4.800 3.825 2.157 4.473 . 0 0 "[ . 1 . 2]" 1
39 1 7 MET HA 1 8 ARG H . . 3.500 2.475 2.142 3.485 . 0 0 "[ . 1 . 2]" 1
40 1 8 ARG HA 1 8 ARG HD2 . . 5.500 4.488 2.351 5.433 . 0 0 "[ . 1 . 2]" 1
41 1 8 ARG H 1 8 ARG HD3 . . 5.500 4.483 3.746 5.694 0.194 19 0 "[ . 1 . 2]" 1
42 1 8 ARG H 1 8 ARG HE . . 5.500 4.594 1.892 5.573 0.073 19 0 "[ . 1 . 2]" 1
43 1 8 ARG H 1 8 ARG HG2 . . 4.500 3.255 1.996 4.431 . 0 0 "[ . 1 . 2]" 1
44 1 8 ARG H 1 8 ARG HG3 . . 4.500 2.961 1.950 4.612 0.112 10 0 "[ . 1 . 2]" 1
45 1 8 ARG HA 1 8 ARG HG2 . . 4.200 3.785 2.365 4.221 0.021 15 0 "[ . 1 . 2]" 1
46 1 8 ARG HA 1 8 ARG HG3 . . 4.200 3.663 2.740 4.235 0.035 17 0 "[ . 1 . 2]" 1
47 1 8 ARG H 1 8 ARG QB . . 3.450 2.581 2.068 3.415 . 0 0 "[ . 1 . 2]" 1
48 1 8 ARG QB 1 8 ARG HD2 . . 3.290 2.957 2.109 3.336 0.046 9 0 "[ . 1 . 2]" 1
49 1 8 ARG HD2 1 8 ARG HG3 . . 2.950 2.481 2.221 3.018 0.068 16 0 "[ . 1 . 2]" 1
50 1 8 ARG HD3 1 8 ARG HG2 . . 2.950 2.674 2.234 3.014 0.064 9 0 "[ . 1 . 2]" 1
51 1 8 ARG QB 1 8 ARG HG3 . . 2.800 2.375 2.135 2.513 . 0 0 "[ . 1 . 2]" 1
52 1 8 ARG H 1 8 ARG HA . . 2.800 2.802 2.758 2.848 0.048 9 0 "[ . 1 . 2]" 1
53 1 8 ARG HD3 1 8 ARG HG3 . . 2.950 2.743 2.428 2.956 0.006 3 0 "[ . 1 . 2]" 1
54 1 8 ARG HD2 1 8 ARG HG2 . . 2.950 2.742 2.422 2.957 0.007 3 0 "[ . 1 . 2]" 1
55 1 8 ARG HA 1 8 ARG QB . . 2.500 2.209 2.168 2.530 0.030 1 0 "[ . 1 . 2]" 1
56 1 8 ARG HD3 1 9 MET H . . 5.500 4.430 3.047 5.498 . 0 0 "[ . 1 . 2]" 1
57 1 8 ARG QB 1 9 MET H . . 4.200 3.077 2.119 3.764 . 0 0 "[ . 1 . 2]" 1
58 1 8 ARG HA 1 9 MET H . . 3.500 2.689 2.141 3.496 . 0 0 "[ . 1 . 2]" 1
59 1 8 ARG H 1 20 LEU MD2 . . 5.500 4.662 3.899 5.460 . 0 0 "[ . 1 . 2]" 1
60 1 8 ARG HA 1 20 LEU MD2 . . 5.000 4.774 3.415 5.032 0.032 9 0 "[ . 1 . 2]" 1
61 1 8 ARG HD2 1 20 LEU MD2 . . 4.200 2.745 1.989 3.430 . 0 0 "[ . 1 . 2]" 1
62 1 8 ARG HD2 1 20 LEU MD1 . . 4.200 4.131 3.731 4.231 0.031 1 0 "[ . 1 . 2]" 1
63 1 9 MET HA 1 9 MET HG3 . . 4.200 3.431 2.197 3.937 . 0 0 "[ . 1 . 2]" 1
64 1 9 MET HA 1 9 MET HG2 . . 4.200 3.450 2.455 3.653 . 0 0 "[ . 1 . 2]" 1
65 1 9 MET H 1 9 MET ME . . 5.500 4.924 4.046 5.532 0.032 18 0 "[ . 1 . 2]" 1
66 1 9 MET HA 1 9 MET ME . . 5.340 4.056 3.641 4.200 . 0 0 "[ . 1 . 2]" 1
67 1 9 MET H 1 9 MET HG2 . . 5.000 3.275 2.415 4.900 . 0 0 "[ . 1 . 2]" 1
68 1 9 MET H 1 9 MET HG3 . . 4.650 4.149 3.539 4.750 0.100 18 0 "[ . 1 . 2]" 1
69 1 9 MET H 1 9 MET QB . . 3.760 2.823 2.147 3.279 . 0 0 "[ . 1 . 2]" 1
70 1 9 MET ME 1 9 MET HG3 . . 3.500 2.514 2.081 3.310 . 0 0 "[ . 1 . 2]" 1
71 1 9 MET ME 1 9 MET HG2 . . 3.400 3.223 2.134 3.397 . 0 0 "[ . 1 . 2]" 1
72 1 9 MET H 1 9 MET HA . . 2.900 2.822 2.755 2.894 . 0 0 "[ . 1 . 2]" 1
73 1 9 MET QB 1 9 MET HG3 . . 2.800 2.259 2.171 2.481 . 0 0 "[ . 1 . 2]" 1
74 1 9 MET QB 1 9 MET HG2 . . 2.600 2.417 2.196 2.501 . 0 0 "[ . 1 . 2]" 1
75 1 9 MET HA 1 9 MET QB . . 2.530 2.256 2.173 2.461 . 0 0 "[ . 1 . 2]" 1
76 1 9 MET HG3 1 10 LYS H . . 5.500 2.788 2.304 4.807 . 0 0 "[ . 1 . 2]" 1
77 1 9 MET QB 1 10 LYS H . . 5.120 2.427 1.968 3.570 . 0 0 "[ . 1 . 2]" 1
78 1 9 MET ME 1 10 LYS H . . 5.000 3.974 3.604 4.525 . 0 0 "[ . 1 . 2]" 1
79 1 9 MET HG2 1 10 LYS H . . 4.500 3.335 2.205 4.038 . 0 0 "[ . 1 . 2]" 1
80 1 9 MET HA 1 10 LYS H . . 2.920 2.562 2.199 2.727 . 0 0 "[ . 1 . 2]" 1
81 1 9 MET ME 1 18 TYR HB3 . . 5.500 2.708 2.324 3.999 . 0 0 "[ . 1 . 2]" 1
82 1 9 MET QB 1 18 TYR HA . . 5.500 5.096 4.476 5.514 0.014 13 0 "[ . 1 . 2]" 1
83 1 9 MET ME 1 18 TYR QD . . 5.500 3.497 2.431 4.049 . 0 0 "[ . 1 . 2]" 1
84 1 9 MET ME 1 18 TYR HB2 . . 5.500 4.015 3.560 5.374 . 0 0 "[ . 1 . 2]" 1
85 1 9 MET HG3 1 18 TYR QD . . 5.500 2.515 1.992 4.390 . 0 0 "[ . 1 . 2]" 1
86 1 9 MET HG2 1 18 TYR QD . . 5.300 2.669 1.932 4.059 . 0 0 "[ . 1 . 2]" 1
87 1 9 MET HG2 1 18 TYR QE . . 5.000 3.762 3.368 4.861 . 0 0 "[ . 1 . 2]" 1
88 1 9 MET HG3 1 18 TYR QE . . 5.000 4.230 3.772 5.112 0.112 18 0 "[ . 1 . 2]" 1
89 1 9 MET QB 1 18 TYR QD . . 4.200 3.558 2.024 3.951 . 0 0 "[ . 1 . 2]" 1
90 1 9 MET HG2 1 19 THR H . . 4.800 4.193 2.539 4.878 0.078 14 0 "[ . 1 . 2]" 1
91 1 9 MET HA 1 19 THR H . . 5.500 5.219 4.524 5.533 0.033 15 0 "[ . 1 . 2]" 1
92 1 9 MET QB 1 19 THR HA . . 5.500 4.387 3.580 5.521 0.021 8 0 "[ . 1 . 2]" 1
93 1 9 MET ME 1 19 THR H . . 5.500 3.158 2.522 4.012 . 0 0 "[ . 1 . 2]" 1
94 1 9 MET ME 1 19 THR HB . . 5.000 4.666 3.892 5.031 0.031 18 0 "[ . 1 . 2]" 1
95 1 9 MET QB 1 19 THR H . . 4.500 3.638 3.059 4.549 0.049 19 0 "[ . 1 . 2]" 1
96 1 9 MET ME 1 19 THR HA . . 4.200 2.678 1.892 3.078 . 0 0 "[ . 1 . 2]" 1
97 1 9 MET ME 1 20 LEU HA . . 5.280 4.354 3.640 4.733 . 0 0 "[ . 1 . 2]" 1
98 1 9 MET ME 1 20 LEU MD1 . . 4.810 2.328 1.827 2.706 . 0 0 "[ . 1 . 2]" 1
99 1 9 MET HG3 1 20 LEU MD2 . . 4.800 3.977 2.235 4.612 . 0 0 "[ . 1 . 2]" 1
100 1 9 MET HG2 1 20 LEU MD2 . . 4.800 4.229 2.356 4.656 . 0 0 "[ . 1 . 2]" 1
101 1 9 MET H 1 20 LEU MD2 . . 4.500 3.663 2.372 4.187 . 0 0 "[ . 1 . 2]" 1
102 1 9 MET QB 1 20 LEU MD2 . . 4.000 2.409 1.909 3.540 . 0 0 "[ . 1 . 2]" 1
103 1 9 MET QB 1 20 LEU MD1 . . 4.000 3.223 2.805 4.050 0.050 18 0 "[ . 1 . 2]" 1
104 1 9 MET ME 1 20 LEU MD2 . . 3.500 3.317 2.427 3.509 0.009 14 0 "[ . 1 . 2]" 1
105 1 9 MET HA 1 20 LEU MD2 . . 2.800 1.935 1.885 1.981 . 0 0 "[ . 1 . 2]" 1
106 1 10 LYS H 1 10 LYS QD . . 5.250 3.100 2.084 3.629 . 0 0 "[ . 1 . 2]" 1
107 1 10 LYS HA 1 10 LYS QD . . 4.760 4.021 3.570 4.303 . 0 0 "[ . 1 . 2]" 1
108 1 10 LYS HB3 1 10 LYS HE3 . . 4.260 2.188 2.023 2.365 . 0 0 "[ . 1 . 2]" 1
109 1 10 LYS HA 1 10 LYS HG3 . . 4.200 4.090 3.982 4.233 0.033 14 0 "[ . 1 . 2]" 1
110 1 10 LYS HE2 1 10 LYS HG2 . . 4.180 3.671 3.573 3.736 . 0 0 "[ . 1 . 2]" 1
111 1 10 LYS HB3 1 10 LYS HE2 . . 4.000 3.261 2.782 3.647 . 0 0 "[ . 1 . 2]" 1
112 1 10 LYS HE3 1 10 LYS HG2 . . 3.930 3.758 3.686 3.873 . 0 0 "[ . 1 . 2]" 1
113 1 10 LYS HB3 1 10 LYS QD . . 3.890 2.384 2.284 2.557 . 0 0 "[ . 1 . 2]" 1
114 1 10 LYS H 1 10 LYS HB2 . . 3.810 3.727 3.627 3.777 . 0 0 "[ . 1 . 2]" 1
115 1 10 LYS HA 1 10 LYS HG2 . . 4.200 3.578 3.546 3.623 . 0 0 "[ . 1 . 2]" 1
116 1 10 LYS H 1 10 LYS HG3 . . 5.000 3.482 3.343 3.662 . 0 0 "[ . 1 . 2]" 1
117 1 10 LYS HB2 1 10 LYS HE3 . . 3.720 2.865 2.368 3.581 . 0 0 "[ . 1 . 2]" 1
118 1 10 LYS H 1 10 LYS HB3 . . 3.500 3.328 3.241 3.429 . 0 0 "[ . 1 . 2]" 1
119 1 10 LYS HB2 1 10 LYS HE2 . . 3.430 3.280 3.060 3.543 0.113 14 0 "[ . 1 . 2]" 1
120 1 10 LYS H 1 10 LYS HG2 . . 5.000 1.967 1.915 2.114 . 0 0 "[ . 1 . 2]" 1
121 1 10 LYS HE3 1 10 LYS HG3 . . 3.180 3.111 2.970 3.242 0.062 3 0 "[ . 1 . 2]" 1
122 1 10 LYS HE2 1 10 LYS HG3 . . 3.150 2.454 2.299 2.554 . 0 0 "[ . 1 . 2]" 1
123 1 10 LYS HB2 1 10 LYS HG2 . . 3.010 2.850 2.666 2.962 . 0 0 "[ . 1 . 2]" 1
124 1 10 LYS HA 1 10 LYS HB2 . . 2.840 2.559 2.516 2.629 . 0 0 "[ . 1 . 2]" 1
125 1 10 LYS QD 1 10 LYS HG2 . . 2.790 2.175 2.174 2.177 . 0 0 "[ . 1 . 2]" 1
126 1 10 LYS HA 1 10 LYS HB3 . . 2.620 2.353 2.302 2.385 . 0 0 "[ . 1 . 2]" 1
127 1 10 LYS H 1 11 LYS H . . 5.500 4.442 4.411 4.489 . 0 0 "[ . 1 . 2]" 1
128 1 10 LYS HG2 1 11 LYS H . . 5.000 4.271 4.088 4.396 . 0 0 "[ . 1 . 2]" 1
129 1 10 LYS HG3 1 11 LYS H . . 4.700 3.927 3.634 4.595 . 0 0 "[ . 1 . 2]" 1
130 1 10 LYS HB2 1 11 LYS H . . 4.450 2.174 2.064 2.466 . 0 0 "[ . 1 . 2]" 1
131 1 10 LYS HB3 1 11 LYS H . . 3.890 3.482 3.341 3.579 . 0 0 "[ . 1 . 2]" 1
132 1 10 LYS HA 1 11 LYS H . . 2.680 2.524 2.403 2.575 . 0 0 "[ . 1 . 2]" 1
133 1 10 LYS H 1 19 THR H . . 5.050 3.135 3.022 3.237 . 0 0 "[ . 1 . 2]" 1
134 1 10 LYS H 1 19 THR MG . . 4.800 4.023 3.903 4.133 . 0 0 "[ . 1 . 2]" 1
135 1 10 LYS QD 1 20 LEU HA . . 5.500 2.846 1.952 3.243 . 0 0 "[ . 1 . 2]" 1
136 1 10 LYS HG3 1 20 LEU HA . . 4.810 4.167 3.929 4.816 0.006 1 0 "[ . 1 . 2]" 1
137 1 10 LYS H 1 20 LEU MD2 . . 4.500 3.517 3.291 3.738 . 0 0 "[ . 1 . 2]" 1
138 1 10 LYS HG2 1 20 LEU HA . . 4.200 2.926 2.690 3.532 . 0 0 "[ . 1 . 2]" 1
139 1 10 LYS H 1 20 LEU HA . . 3.500 3.302 3.049 3.433 . 0 0 "[ . 1 . 2]" 1
140 1 10 LYS QD 1 22 GLU H . . 4.200 2.619 2.369 3.071 . 0 0 "[ . 1 . 2]" 1
141 1 10 LYS HB3 1 22 GLU HA . . 5.500 4.846 4.513 4.998 . 0 0 "[ . 1 . 2]" 1
142 1 10 LYS HE2 1 22 GLU HA . . 5.460 2.397 2.019 3.169 . 0 0 "[ . 1 . 2]" 1
143 1 10 LYS HG3 1 22 GLU HA . . 5.300 2.755 2.055 3.207 . 0 0 "[ . 1 . 2]" 1
144 1 10 LYS HE3 1 22 GLU HA . . 4.840 3.953 3.591 4.663 . 0 0 "[ . 1 . 2]" 1
145 1 10 LYS QD 1 22 GLU HA . . 4.410 2.384 1.970 3.283 . 0 0 "[ . 1 . 2]" 1
146 1 10 LYS H 1 31 THR HB . . 5.500 4.850 4.391 5.151 . 0 0 "[ . 1 . 2]" 1
147 1 10 LYS HG2 1 31 THR HB . . 5.500 3.492 2.788 3.694 . 0 0 "[ . 1 . 2]" 1
148 1 10 LYS HB3 1 31 THR MG . . 5.200 5.215 5.118 5.277 0.077 20 0 "[ . 1 . 2]" 1
149 1 10 LYS HB2 1 31 THR MG . . 5.000 3.916 3.755 4.020 . 0 0 "[ . 1 . 2]" 1
150 1 10 LYS HG3 1 31 THR HB . . 4.500 2.233 1.988 2.994 . 0 0 "[ . 1 . 2]" 1
151 1 10 LYS HB2 1 31 THR HB . . 4.280 2.376 2.115 2.502 . 0 0 "[ . 1 . 2]" 1
152 1 10 LYS HB3 1 31 THR HB . . 4.000 3.950 3.799 4.033 0.033 17 0 "[ . 1 . 2]" 1
153 1 10 LYS HB3 1 32 VAL H . . 5.260 4.773 4.544 4.963 . 0 0 "[ . 1 . 2]" 1
154 1 10 LYS HB2 1 32 VAL H . . 5.220 3.190 3.138 3.319 . 0 0 "[ . 1 . 2]" 1
155 1 10 LYS HG3 1 32 VAL H . . 5.000 4.399 4.222 4.917 . 0 0 "[ . 1 . 2]" 1
156 1 10 LYS HE3 1 33 ILE H . . 5.500 4.051 3.585 5.133 . 0 0 "[ . 1 . 2]" 1
157 1 10 LYS QD 1 33 ILE HA . . 5.500 5.152 4.849 5.350 . 0 0 "[ . 1 . 2]" 1
158 1 10 LYS HA 1 33 ILE MD . . 5.500 2.548 2.061 3.421 . 0 0 "[ . 1 . 2]" 1
159 1 10 LYS HE3 1 33 ILE HG13 . . 5.500 4.940 3.950 5.436 . 0 0 "[ . 1 . 2]" 1
160 1 10 LYS HA 1 33 ILE MG . . 5.320 3.709 3.540 4.005 . 0 0 "[ . 1 . 2]" 1
161 1 10 LYS HB2 1 33 ILE HA . . 5.150 3.447 3.156 3.866 . 0 0 "[ . 1 . 2]" 1
162 1 10 LYS HB3 1 33 ILE MD . . 4.640 1.933 1.885 2.057 . 0 0 "[ . 1 . 2]" 1
163 1 10 LYS HE3 1 33 ILE MD . . 4.300 2.516 1.966 2.845 . 0 0 "[ . 1 . 2]" 1
164 1 10 LYS HE2 1 33 ILE MD . . 4.300 3.997 3.298 4.320 0.020 15 0 "[ . 1 . 2]" 1
165 1 10 LYS HB3 1 33 ILE HA . . 3.800 3.157 2.978 3.385 . 0 0 "[ . 1 . 2]" 1
166 1 10 LYS HA 1 34 PRO HG3 . . 5.500 3.827 3.724 4.025 . 0 0 "[ . 1 . 2]" 1
167 1 10 LYS HA 1 34 PRO HG2 . . 5.500 4.275 4.180 4.450 . 0 0 "[ . 1 . 2]" 1
168 1 10 LYS HG2 1 34 PRO HD3 . . 5.500 5.513 5.430 5.587 0.087 20 0 "[ . 1 . 2]" 1
169 1 10 LYS HA 1 34 PRO HD2 . . 4.760 2.365 2.225 2.639 . 0 0 "[ . 1 . 2]" 1
170 1 10 LYS HA 1 34 PRO HD3 . . 4.180 2.389 2.262 2.588 . 0 0 "[ . 1 . 2]" 1
171 1 11 LYS H 1 11 LYS HE2 . . 5.500 4.873 4.583 5.343 . 0 0 "[ . 1 . 2]" 1
172 1 11 LYS HB2 1 11 LYS HE2 . . 5.500 3.525 3.313 4.045 . 0 0 "[ . 1 . 2]" 1
173 1 11 LYS HB3 1 11 LYS HE3 . . 5.500 3.550 2.627 4.107 . 0 0 "[ . 1 . 2]" 1
174 1 11 LYS HB2 1 11 LYS HE3 . . 5.500 4.504 3.888 4.839 . 0 0 "[ . 1 . 2]" 1
175 1 11 LYS HB3 1 11 LYS HE2 . . 5.500 2.228 1.994 2.891 . 0 0 "[ . 1 . 2]" 1
176 1 11 LYS H 1 11 LYS HG3 . . 5.200 4.827 4.779 4.861 . 0 0 "[ . 1 . 2]" 1
177 1 11 LYS H 1 11 LYS HG2 . . 5.000 4.516 4.405 4.572 . 0 0 "[ . 1 . 2]" 1
178 1 11 LYS HA 1 11 LYS HG2 . . 4.230 2.952 2.752 3.133 . 0 0 "[ . 1 . 2]" 1
179 1 11 LYS HE2 1 11 LYS HG2 . . 4.200 2.552 2.034 3.319 . 0 0 "[ . 1 . 2]" 1
180 1 11 LYS HA 1 11 LYS HG3 . . 4.110 2.636 2.604 2.710 . 0 0 "[ . 1 . 2]" 1
181 1 11 LYS HE3 1 11 LYS HG2 . . 4.200 2.699 2.170 3.155 . 0 0 "[ . 1 . 2]" 1
182 1 11 LYS HE2 1 11 LYS HG3 . . 4.200 3.625 3.400 3.974 . 0 0 "[ . 1 . 2]" 1
183 1 11 LYS H 1 11 LYS HB3 . . 3.680 2.850 2.709 2.936 . 0 0 "[ . 1 . 2]" 1
184 1 11 LYS HE3 1 11 LYS HG3 . . 4.000 3.747 3.494 3.901 . 0 0 "[ . 1 . 2]" 1
185 1 11 LYS H 1 11 LYS HB2 . . 3.220 3.221 3.091 3.263 0.043 10 0 "[ . 1 . 2]" 1
186 1 11 LYS HB2 1 11 LYS HG2 . . 2.900 3.007 2.993 3.011 0.111 15 0 "[ . 1 . 2]" 1
187 1 11 LYS HB3 1 11 LYS HG2 . . 2.890 2.507 2.466 2.577 . 0 0 "[ . 1 . 2]" 1
188 1 11 LYS HB3 1 12 CYS H . . 5.500 3.833 3.757 3.930 . 0 0 "[ . 1 . 2]" 1
189 1 11 LYS QD 1 12 CYS H . . 5.500 4.265 4.225 4.373 . 0 0 "[ . 1 . 2]" 1
190 1 11 LYS HB2 1 12 CYS H . . 5.500 4.028 3.950 4.107 . 0 0 "[ . 1 . 2]" 1
191 1 11 LYS HG3 1 12 CYS H . . 5.230 2.887 2.625 3.226 . 0 0 "[ . 1 . 2]" 1
192 1 11 LYS HA 1 12 CYS HB2 . . 5.000 4.473 4.462 4.480 . 0 0 "[ . 1 . 2]" 1
193 1 11 LYS HA 1 12 CYS HB3 . . 4.800 4.799 4.772 4.810 0.010 6 0 "[ . 1 . 2]" 1
194 1 11 LYS HG2 1 12 CYS H . . 4.470 2.276 2.177 2.463 . 0 0 "[ . 1 . 2]" 1
195 1 11 LYS HA 1 12 CYS H . . 2.860 2.264 2.243 2.274 . 0 0 "[ . 1 . 2]" 1
196 1 11 LYS HE2 1 13 PRO HA . . 5.000 4.033 3.466 4.796 . 0 0 "[ . 1 . 2]" 1
197 1 11 LYS HE3 1 13 PRO HA . . 5.000 4.154 3.618 4.833 . 0 0 "[ . 1 . 2]" 1
198 1 11 LYS HG2 1 16 GLY H . . 5.500 3.635 3.590 3.687 . 0 0 "[ . 1 . 2]" 1
199 1 11 LYS QD 1 16 GLY HA2 . . 5.500 2.560 2.437 2.751 . 0 0 "[ . 1 . 2]" 1
200 1 11 LYS HG3 1 16 GLY HA3 . . 4.500 4.361 4.131 4.514 0.014 14 0 "[ . 1 . 2]" 1
201 1 11 LYS QD 1 16 GLY HA3 . . 5.500 3.065 2.937 3.277 . 0 0 "[ . 1 . 2]" 1
202 1 11 LYS HG3 1 16 GLY HA2 . . 5.000 3.302 2.992 3.475 . 0 0 "[ . 1 . 2]" 1
203 1 11 LYS HE2 1 16 GLY HA2 . . 5.200 3.141 2.218 3.669 . 0 0 "[ . 1 . 2]" 1
204 1 11 LYS HE3 1 16 GLY HA2 . . 4.800 2.074 1.993 2.424 . 0 0 "[ . 1 . 2]" 1
205 1 11 LYS HE2 1 16 GLY HA3 . . 4.800 4.516 3.662 4.814 0.014 19 0 "[ . 1 . 2]" 1
206 1 11 LYS HE3 1 16 GLY HA3 . . 4.400 3.074 2.822 3.522 . 0 0 "[ . 1 . 2]" 1
207 1 11 LYS HG2 1 16 GLY HA2 . . 5.000 2.204 2.093 2.299 . 0 0 "[ . 1 . 2]" 1
208 1 11 LYS HG2 1 16 GLY HA3 . . 4.500 3.779 3.698 3.849 . 0 0 "[ . 1 . 2]" 1
209 1 11 LYS HB2 1 18 TYR QD . . 5.500 3.123 2.695 3.455 . 0 0 "[ . 1 . 2]" 1
210 1 11 LYS HG3 1 18 TYR QE . . 5.500 3.900 3.302 4.313 . 0 0 "[ . 1 . 2]" 1
211 1 11 LYS HG2 1 18 TYR HA . . 5.500 4.223 4.049 4.510 . 0 0 "[ . 1 . 2]" 1
212 1 11 LYS HG3 1 18 TYR HA . . 5.500 2.862 2.701 3.116 . 0 0 "[ . 1 . 2]" 1
213 1 11 LYS HB3 1 18 TYR QD . . 5.500 4.570 4.107 4.788 . 0 0 "[ . 1 . 2]" 1
214 1 11 LYS QD 1 18 TYR QD . . 5.500 3.121 2.447 3.511 . 0 0 "[ . 1 . 2]" 1
215 1 11 LYS HA 1 18 TYR QD . . 5.500 4.156 3.844 4.331 . 0 0 "[ . 1 . 2]" 1
216 1 11 LYS HG3 1 18 TYR QD . . 5.400 3.121 2.305 3.745 . 0 0 "[ . 1 . 2]" 1
217 1 11 LYS HB2 1 18 TYR QE . . 5.380 3.140 2.639 3.402 . 0 0 "[ . 1 . 2]" 1
218 1 11 LYS HE2 1 18 TYR QE . . 5.200 4.770 3.878 5.205 0.005 12 0 "[ . 1 . 2]" 1
219 1 11 LYS HE3 1 18 TYR QE . . 5.200 4.984 4.545 5.204 0.004 16 0 "[ . 1 . 2]" 1
220 1 11 LYS HB2 1 18 TYR HA . . 5.000 3.030 2.909 3.310 . 0 0 "[ . 1 . 2]" 1
221 1 11 LYS HB3 1 18 TYR HA . . 4.800 4.456 4.368 4.661 . 0 0 "[ . 1 . 2]" 1
222 1 11 LYS QD 1 18 TYR QE . . 4.720 2.449 1.968 2.824 . 0 0 "[ . 1 . 2]" 1
223 1 11 LYS HB3 1 18 TYR QE . . 4.710 4.169 3.670 4.418 . 0 0 "[ . 1 . 2]" 1
224 1 11 LYS HA 1 18 TYR HA . . 4.210 2.307 2.244 2.379 . 0 0 "[ . 1 . 2]" 1
225 1 11 LYS HA 1 19 THR MG . . 5.500 3.566 3.399 3.705 . 0 0 "[ . 1 . 2]" 1
226 1 11 LYS HA 1 19 THR H . . 4.870 3.420 3.339 3.544 . 0 0 "[ . 1 . 2]" 1
227 1 11 LYS H 1 31 THR HA . . 4.700 4.692 4.488 4.757 0.057 14 0 "[ . 1 . 2]" 1
228 1 11 LYS HA 1 31 THR HB . . 5.500 3.529 3.326 3.617 . 0 0 "[ . 1 . 2]" 1
229 1 11 LYS H 1 31 THR HB . . 3.500 3.060 2.891 3.152 . 0 0 "[ . 1 . 2]" 1
230 1 11 LYS HB2 1 32 VAL MG2 . . 5.500 5.473 5.365 5.515 0.015 4 0 "[ . 1 . 2]" 1
231 1 11 LYS HB2 1 32 VAL H . . 5.500 5.561 5.531 5.585 0.085 15 0 "[ . 1 . 2]" 1
232 1 11 LYS HB3 1 32 VAL H . . 5.500 4.549 4.495 4.577 . 0 0 "[ . 1 . 2]" 1
233 1 11 LYS H 1 32 VAL H . . 4.750 2.940 2.882 3.094 . 0 0 "[ . 1 . 2]" 1
234 1 11 LYS H 1 32 VAL MG2 . . 4.410 3.645 3.533 3.718 . 0 0 "[ . 1 . 2]" 1
235 1 11 LYS H 1 33 ILE HA . . 4.000 3.273 3.091 3.371 . 0 0 "[ . 1 . 2]" 1
236 1 11 LYS H 1 33 ILE MG . . 5.500 4.975 4.901 5.039 . 0 0 "[ . 1 . 2]" 1
237 1 11 LYS H 1 33 ILE H . . 5.500 4.497 4.339 4.574 . 0 0 "[ . 1 . 2]" 1
238 1 11 LYS H 1 33 ILE MD . . 4.060 4.074 3.970 4.203 0.143 20 0 "[ . 1 . 2]" 1
239 1 11 LYS HB3 1 34 PRO HD3 . . 5.500 2.730 2.595 2.777 . 0 0 "[ . 1 . 2]" 1
240 1 11 LYS H 1 34 PRO HG2 . . 5.500 4.882 4.815 4.979 . 0 0 "[ . 1 . 2]" 1
241 1 11 LYS H 1 34 PRO HD2 . . 5.500 3.499 3.438 3.572 . 0 0 "[ . 1 . 2]" 1
242 1 11 LYS H 1 34 PRO HG3 . . 5.500 3.767 3.674 3.925 . 0 0 "[ . 1 . 2]" 1
243 1 11 LYS HB2 1 34 PRO HA . . 5.500 5.297 4.992 5.508 0.008 15 0 "[ . 1 . 2]" 1
244 1 11 LYS HB2 1 34 PRO HD3 . . 5.500 3.090 2.894 3.262 . 0 0 "[ . 1 . 2]" 1
245 1 11 LYS HB3 1 34 PRO HB2 . . 5.500 3.947 3.773 4.142 . 0 0 "[ . 1 . 2]" 1
246 1 11 LYS HB3 1 34 PRO HA . . 5.500 4.056 3.736 4.286 . 0 0 "[ . 1 . 2]" 1
247 1 11 LYS HB2 1 34 PRO HG2 . . 5.500 4.045 3.853 4.197 . 0 0 "[ . 1 . 2]" 1
248 1 11 LYS HB3 1 34 PRO HB3 . . 5.500 2.332 2.089 2.584 . 0 0 "[ . 1 . 2]" 1
249 1 11 LYS HB2 1 34 PRO HB3 . . 5.370 3.297 2.976 3.530 . 0 0 "[ . 1 . 2]" 1
250 1 11 LYS HB2 1 34 PRO HB2 . . 5.230 4.406 4.139 4.607 . 0 0 "[ . 1 . 2]" 1
251 1 11 LYS HB3 1 34 PRO HG3 . . 5.160 2.699 2.640 2.780 . 0 0 "[ . 1 . 2]" 1
252 1 11 LYS QD 1 34 PRO HB3 . . 5.000 3.076 2.440 3.381 . 0 0 "[ . 1 . 2]" 1
253 1 11 LYS QD 1 34 PRO HB2 . . 4.500 3.845 3.294 4.152 . 0 0 "[ . 1 . 2]" 1
254 1 11 LYS HB3 1 34 PRO HG2 . . 4.220 4.243 4.225 4.256 0.036 15 0 "[ . 1 . 2]" 1
255 1 11 LYS HB2 1 34 PRO HG3 . . 4.190 2.280 2.083 2.424 . 0 0 "[ . 1 . 2]" 1
256 1 11 LYS H 1 34 PRO HD3 . . 3.910 2.003 1.937 2.109 . 0 0 "[ . 1 . 2]" 1
257 1 12 CYS H 1 12 CYS HB2 . . 3.250 2.548 2.540 2.557 . 0 0 "[ . 1 . 2]" 1
258 1 12 CYS H 1 12 CYS HB3 . . 3.190 2.541 2.532 2.551 . 0 0 "[ . 1 . 2]" 1
259 1 12 CYS HA 1 12 CYS HB2 . . 2.850 2.483 2.478 2.489 . 0 0 "[ . 1 . 2]" 1
260 1 12 CYS HA 1 13 PRO HG2 . . 5.500 4.165 4.162 4.172 . 0 0 "[ . 1 . 2]" 1
261 1 12 CYS HA 1 13 PRO HG3 . . 5.500 4.318 4.317 4.319 . 0 0 "[ . 1 . 2]" 1
262 1 12 CYS HB2 1 13 PRO HD2 . . 5.500 4.028 4.012 4.039 . 0 0 "[ . 1 . 2]" 1
263 1 12 CYS H 1 13 PRO HA . . 5.500 5.497 5.490 5.505 0.005 19 0 "[ . 1 . 2]" 1
264 1 12 CYS HA 1 13 PRO HD2 . . 3.700 1.965 1.961 1.974 . 0 0 "[ . 1 . 2]" 1
265 1 12 CYS HA 1 13 PRO HD3 . . 3.500 2.336 2.327 2.343 . 0 0 "[ . 1 . 2]" 1
266 1 12 CYS HA 1 14 LYS H . . 5.500 3.477 3.471 3.491 . 0 0 "[ . 1 . 2]" 1
267 1 12 CYS HB2 1 14 LYS H . . 5.500 4.353 4.341 4.372 . 0 0 "[ . 1 . 2]" 1
268 1 12 CYS HB2 1 14 LYS HB2 . . 5.500 5.135 5.112 5.165 . 0 0 "[ . 1 . 2]" 1
269 1 12 CYS HB3 1 14 LYS H . . 3.990 3.600 3.557 3.636 . 0 0 "[ . 1 . 2]" 1
270 1 12 CYS HB2 1 15 CYS H . . 4.470 4.113 4.077 4.134 . 0 0 "[ . 1 . 2]" 1
271 1 12 CYS HB3 1 15 CYS H . . 3.620 2.757 2.721 2.791 . 0 0 "[ . 1 . 2]" 1
272 1 12 CYS H 1 16 GLY H . . 5.480 3.606 3.569 3.650 . 0 0 "[ . 1 . 2]" 1
273 1 12 CYS H 1 16 GLY HA3 . . 5.180 5.157 5.093 5.196 0.016 20 0 "[ . 1 . 2]" 1
274 1 12 CYS HB2 1 16 GLY H . . 4.920 3.705 3.680 3.740 . 0 0 "[ . 1 . 2]" 1
275 1 12 CYS H 1 16 GLY HA2 . . 4.870 3.730 3.661 3.791 . 0 0 "[ . 1 . 2]" 1
276 1 12 CYS HB3 1 16 GLY H . . 3.250 1.951 1.926 1.983 . 0 0 "[ . 1 . 2]" 1
277 1 12 CYS H 1 17 LEU HA . . 5.500 4.491 4.449 4.561 . 0 0 "[ . 1 . 2]" 1
278 1 12 CYS H 1 17 LEU MD1 . . 5.500 5.111 5.072 5.156 . 0 0 "[ . 1 . 2]" 1
279 1 12 CYS H 1 17 LEU H . . 5.370 2.768 2.587 2.993 . 0 0 "[ . 1 . 2]" 1
280 1 12 CYS H 1 17 LEU QB . . 4.940 3.714 3.632 3.762 . 0 0 "[ . 1 . 2]" 1
281 1 12 CYS HB3 1 17 LEU H . . 4.940 2.112 2.061 2.202 . 0 0 "[ . 1 . 2]" 1
282 1 12 CYS HB2 1 17 LEU H . . 4.810 3.320 3.233 3.436 . 0 0 "[ . 1 . 2]" 1
283 1 12 CYS HB3 1 17 LEU QB . . 4.200 3.139 3.098 3.233 . 0 0 "[ . 1 . 2]" 1
284 1 12 CYS HB2 1 17 LEU QB . . 4.200 3.407 3.341 3.506 . 0 0 "[ . 1 . 2]" 1
285 1 12 CYS H 1 18 TYR HA . . 5.500 3.899 3.840 4.002 . 0 0 "[ . 1 . 2]" 1
286 1 12 CYS HB2 1 19 THR MG . . 5.500 4.332 4.209 4.496 . 0 0 "[ . 1 . 2]" 1
287 1 12 CYS HB2 1 24 CYS HA . . 4.200 3.745 3.681 3.811 . 0 0 "[ . 1 . 2]" 1
288 1 12 CYS HB2 1 24 CYS H . . 5.500 4.617 4.484 4.719 . 0 0 "[ . 1 . 2]" 1
289 1 12 CYS HB3 1 24 CYS HA . . 5.500 5.194 5.150 5.243 . 0 0 "[ . 1 . 2]" 1
290 1 12 CYS HB3 1 24 CYS HB3 . . 5.000 4.923 4.825 5.016 0.016 12 0 "[ . 1 . 2]" 1
291 1 12 CYS HB2 1 24 CYS HB3 . . 4.300 3.801 3.670 3.905 . 0 0 "[ . 1 . 2]" 1
292 1 12 CYS HB2 1 24 CYS HB2 . . 4.700 2.150 2.037 2.227 . 0 0 "[ . 1 . 2]" 1
293 1 12 CYS HA 1 29 GLU HG3 . . 5.500 4.753 4.614 4.902 . 0 0 "[ . 1 . 2]" 1
294 1 12 CYS H 1 31 THR MG . . 4.980 2.465 2.322 2.664 . 0 0 "[ . 1 . 2]" 1
295 1 12 CYS HA 1 31 THR HB . . 4.640 3.751 3.625 3.917 . 0 0 "[ . 1 . 2]" 1
296 1 12 CYS HA 1 31 THR HA . . 4.390 2.165 2.094 2.344 . 0 0 "[ . 1 . 2]" 1
297 1 12 CYS HB3 1 31 THR MG . . 4.180 3.430 3.386 3.517 . 0 0 "[ . 1 . 2]" 1
298 1 12 CYS HB2 1 31 THR MG . . 3.360 2.120 2.061 2.196 . 0 0 "[ . 1 . 2]" 1
299 1 12 CYS HA 1 31 THR MG . . 2.760 2.096 2.031 2.166 . 0 0 "[ . 1 . 2]" 1
300 1 12 CYS HA 1 32 VAL H . . 4.580 3.073 2.975 3.207 . 0 0 "[ . 1 . 2]" 1
301 1 13 PRO HB2 1 14 LYS QG . . 5.500 5.421 5.342 5.513 0.013 8 0 "[ . 1 . 2]" 1
302 1 13 PRO HG3 1 14 LYS H . . 5.500 4.442 4.422 4.453 . 0 0 "[ . 1 . 2]" 1
303 1 13 PRO HG2 1 14 LYS H . . 4.340 3.117 3.092 3.132 . 0 0 "[ . 1 . 2]" 1
304 1 13 PRO HD2 1 14 LYS H . . 4.200 2.880 2.866 2.888 . 0 0 "[ . 1 . 2]" 1
305 1 13 PRO HD3 1 14 LYS H . . 4.020 3.965 3.958 3.969 . 0 0 "[ . 1 . 2]" 1
306 1 13 PRO HB2 1 14 LYS H . . 4.000 3.839 3.825 3.848 . 0 0 "[ . 1 . 2]" 1
307 1 13 PRO HA 1 14 LYS H . . 3.200 3.366 3.361 3.373 0.173 20 0 "[ . 1 . 2]" 1
308 1 13 PRO HD2 1 29 GLU HG3 . . 4.780 3.465 3.189 4.457 . 0 0 "[ . 1 . 2]" 1
309 1 13 PRO HD2 1 29 GLU HG2 . . 4.640 4.550 4.238 4.661 0.021 19 0 "[ . 1 . 2]" 1
310 1 13 PRO HG2 1 31 THR HA . . 5.500 4.669 4.494 4.818 . 0 0 "[ . 1 . 2]" 1
311 1 13 PRO HD3 1 31 THR H . . 5.500 5.404 5.285 5.535 0.035 14 0 "[ . 1 . 2]" 1
312 1 13 PRO HD3 1 31 THR HA . . 4.340 2.652 2.503 2.764 . 0 0 "[ . 1 . 2]" 1
313 1 13 PRO HG3 1 32 VAL MG1 . . 5.000 1.972 1.947 2.113 . 0 0 "[ . 1 . 2]" 1
314 1 13 PRO HG3 1 32 VAL MG2 . . 5.000 2.092 1.962 2.529 . 0 0 "[ . 1 . 2]" 1
315 1 13 PRO HA 1 32 VAL MG2 . . 4.790 3.491 3.404 3.696 . 0 0 "[ . 1 . 2]" 1
316 1 13 PRO HD2 1 32 VAL H . . 4.590 3.493 3.393 3.623 . 0 0 "[ . 1 . 2]" 1
317 1 13 PRO HD3 1 32 VAL H . . 4.330 2.148 2.055 2.236 . 0 0 "[ . 1 . 2]" 1
318 1 13 PRO HB3 1 32 VAL MG2 . . 4.200 2.003 1.935 2.320 . 0 0 "[ . 1 . 2]" 1
319 1 13 PRO HB3 1 32 VAL MG1 . . 4.200 3.513 3.447 3.553 . 0 0 "[ . 1 . 2]" 1
320 1 13 PRO HB2 1 32 VAL MG1 . . 4.200 4.225 4.149 4.272 0.072 12 0 "[ . 1 . 2]" 1
321 1 13 PRO HD2 1 32 VAL MG2 . . 4.200 3.529 3.414 3.784 . 0 0 "[ . 1 . 2]" 1
322 1 13 PRO HG2 1 32 VAL MG1 . . 4.000 3.376 3.281 3.505 . 0 0 "[ . 1 . 2]" 1
323 1 13 PRO HG2 1 32 VAL MG2 . . 3.800 3.520 3.401 3.818 0.018 11 0 "[ . 1 . 2]" 1
324 1 13 PRO HB2 1 32 VAL MG2 . . 3.680 3.325 3.231 3.658 . 0 0 "[ . 1 . 2]" 1
325 1 13 PRO HD2 1 32 VAL MG1 . . 3.620 3.305 3.140 3.526 . 0 0 "[ . 1 . 2]" 1
326 1 13 PRO HD3 1 32 VAL MG2 . . 3.610 2.072 1.943 2.355 . 0 0 "[ . 1 . 2]" 1
327 1 13 PRO HD3 1 32 VAL MG1 . . 2.650 2.550 2.414 2.676 0.026 11 0 "[ . 1 . 2]" 1
328 1 14 LYS H 1 14 LYS QG . . 4.180 3.972 3.950 4.003 . 0 0 "[ . 1 . 2]" 1
329 1 14 LYS H 1 14 LYS HB2 . . 3.340 2.209 2.195 2.217 . 0 0 "[ . 1 . 2]" 1
330 1 14 LYS HA 1 14 LYS QG . . 3.500 2.373 2.261 2.449 . 0 0 "[ . 1 . 2]" 1
331 1 14 LYS H 1 14 LYS HB3 . . 3.680 3.329 3.282 3.368 . 0 0 "[ . 1 . 2]" 1
332 1 14 LYS H 1 14 LYS QD . . 3.040 3.061 3.033 3.087 0.047 20 0 "[ . 1 . 2]" 1
333 1 14 LYS HA 1 14 LYS HB2 . . 3.000 2.898 2.876 2.915 . 0 0 "[ . 1 . 2]" 1
334 1 14 LYS HA 1 14 LYS HB3 . . 2.800 2.797 2.776 2.824 0.024 15 0 "[ . 1 . 2]" 1
335 1 14 LYS HA 1 14 LYS QD . . 4.200 2.361 2.152 2.922 . 0 0 "[ . 1 . 2]" 1
336 1 14 LYS HB3 1 15 CYS HB3 . . 5.500 5.169 5.109 5.232 . 0 0 "[ . 1 . 2]" 1
337 1 14 LYS QG 1 15 CYS H . . 5.500 4.456 4.410 4.503 . 0 0 "[ . 1 . 2]" 1
338 1 14 LYS HB3 1 15 CYS H . . 5.350 2.967 2.878 3.047 . 0 0 "[ . 1 . 2]" 1
339 1 14 LYS H 1 15 CYS H . . 4.540 2.267 2.235 2.299 . 0 0 "[ . 1 . 2]" 1
340 1 14 LYS HB2 1 15 CYS H . . 3.660 2.992 2.921 3.074 . 0 0 "[ . 1 . 2]" 1
341 1 14 LYS HB3 1 16 GLY H . . 5.500 5.250 5.160 5.332 . 0 0 "[ . 1 . 2]" 1
342 1 14 LYS HA 1 16 GLY H . . 5.500 5.557 5.514 5.580 0.080 13 0 "[ . 1 . 2]" 1
343 1 14 LYS H 1 16 GLY H . . 5.500 3.859 3.822 3.873 . 0 0 "[ . 1 . 2]" 1
344 1 14 LYS HB2 1 16 GLY H . . 5.300 5.166 5.133 5.223 . 0 0 "[ . 1 . 2]" 1
345 1 14 LYS H 1 29 GLU HG3 . . 5.500 4.569 4.389 5.026 . 0 0 "[ . 1 . 2]" 1
346 1 14 LYS H 1 29 GLU HG2 . . 5.200 4.730 4.313 4.884 . 0 0 "[ . 1 . 2]" 1
347 1 14 LYS HB3 1 29 GLU HG3 . . 5.200 5.237 5.082 5.259 0.059 20 0 "[ . 1 . 2]" 1
348 1 14 LYS HB2 1 29 GLU HG3 . . 4.800 3.701 3.641 4.013 . 0 0 "[ . 1 . 2]" 1
349 1 15 CYS H 1 15 CYS HB2 . . 3.800 2.728 2.707 2.745 . 0 0 "[ . 1 . 2]" 1
350 1 15 CYS H 1 15 CYS HB3 . . 3.800 3.737 3.711 3.755 . 0 0 "[ . 1 . 2]" 1
351 1 15 CYS H 1 16 GLY HA2 . . 5.500 4.318 4.277 4.386 . 0 0 "[ . 1 . 2]" 1
352 1 15 CYS HB2 1 16 GLY H . . 5.460 2.220 2.208 2.237 . 0 0 "[ . 1 . 2]" 1
353 1 15 CYS H 1 16 GLY HA3 . . 5.000 4.785 4.751 4.830 . 0 0 "[ . 1 . 2]" 1
354 1 15 CYS H 1 16 GLY H . . 4.800 2.322 2.300 2.359 . 0 0 "[ . 1 . 2]" 1
355 1 15 CYS HB3 1 16 GLY H . . 4.650 3.555 3.530 3.585 . 0 0 "[ . 1 . 2]" 1
356 1 15 CYS HB3 1 17 LEU H . . 4.930 4.293 4.091 4.510 . 0 0 "[ . 1 . 2]" 1
357 1 15 CYS HB2 1 17 LEU H . . 4.550 2.845 2.691 3.014 . 0 0 "[ . 1 . 2]" 1
358 1 16 GLY HA2 1 17 LEU QB . . 5.500 4.818 4.767 4.864 . 0 0 "[ . 1 . 2]" 1
359 1 16 GLY H 1 17 LEU HA . . 5.500 4.622 4.608 4.659 . 0 0 "[ . 1 . 2]" 1
360 1 16 GLY H 1 17 LEU QB . . 4.670 3.636 3.623 3.662 . 0 0 "[ . 1 . 2]" 1
361 1 17 LEU H 1 17 LEU HG . . 5.500 4.087 4.048 4.122 . 0 0 "[ . 1 . 2]" 1
362 1 17 LEU HA 1 17 LEU MD2 . . 4.770 3.968 3.958 3.982 . 0 0 "[ . 1 . 2]" 1
363 1 17 LEU HA 1 17 LEU MD1 . . 4.000 2.217 2.198 2.264 . 0 0 "[ . 1 . 2]" 1
364 1 17 LEU H 1 17 LEU QB . . 3.650 2.185 2.157 2.215 . 0 0 "[ . 1 . 2]" 1
365 1 17 LEU HA 1 17 LEU HG . . 3.540 3.441 3.432 3.453 . 0 0 "[ . 1 . 2]" 1
366 1 17 LEU HA 1 17 LEU QB . . 2.570 2.224 2.215 2.228 . 0 0 "[ . 1 . 2]" 1
367 1 17 LEU MD1 1 18 TYR HA . . 4.800 4.008 3.996 4.025 . 0 0 "[ . 1 . 2]" 1
368 1 17 LEU HA 1 18 TYR HA . . 5.000 4.361 4.357 4.363 . 0 0 "[ . 1 . 2]" 1
369 1 17 LEU MD2 1 18 TYR H . . 5.500 4.491 4.424 4.553 . 0 0 "[ . 1 . 2]" 1
370 1 17 LEU HG 1 18 TYR HA . . 5.500 4.122 4.065 4.172 . 0 0 "[ . 1 . 2]" 1
371 1 17 LEU HA 1 18 TYR HB3 . . 5.500 5.611 5.475 5.669 0.169 7 0 "[ . 1 . 2]" 1
372 1 17 LEU QB 1 18 TYR HA . . 5.500 4.983 4.953 5.011 . 0 0 "[ . 1 . 2]" 1
373 1 17 LEU HA 1 18 TYR HB2 . . 5.500 4.320 4.166 4.428 . 0 0 "[ . 1 . 2]" 1
374 1 17 LEU MD1 1 18 TYR H . . 4.860 1.948 1.911 1.994 . 0 0 "[ . 1 . 2]" 1
375 1 17 LEU HA 1 18 TYR QD . . 4.800 3.875 3.437 4.329 . 0 0 "[ . 1 . 2]" 1
376 1 17 LEU QB 1 18 TYR H . . 4.520 3.647 3.613 3.680 . 0 0 "[ . 1 . 2]" 1
377 1 17 LEU HG 1 18 TYR H . . 3.800 3.396 3.305 3.474 . 0 0 "[ . 1 . 2]" 1
378 1 17 LEU HA 1 18 TYR H . . 2.860 2.165 2.157 2.178 . 0 0 "[ . 1 . 2]" 1
379 1 17 LEU QB 1 19 THR HB . . 5.500 5.109 5.075 5.209 . 0 0 "[ . 1 . 2]" 1
380 1 17 LEU HG 1 19 THR HB . . 3.930 3.119 3.082 3.226 . 0 0 "[ . 1 . 2]" 1
381 1 17 LEU MD1 1 19 THR HB . . 3.300 3.320 3.295 3.362 0.062 14 0 "[ . 1 . 2]" 1
382 1 17 LEU MD2 1 25 PRO HB2 . . 4.800 4.064 3.991 4.124 . 0 0 "[ . 1 . 2]" 1
383 1 17 LEU MD2 1 25 PRO HG2 . . 4.200 2.130 2.055 2.187 . 0 0 "[ . 1 . 2]" 1
384 1 17 LEU MD2 1 25 PRO HG3 . . 4.200 2.778 2.592 2.897 . 0 0 "[ . 1 . 2]" 1
385 1 17 LEU MD2 1 25 PRO HD3 . . 4.200 3.197 3.093 3.274 . 0 0 "[ . 1 . 2]" 1
386 1 17 LEU MD1 1 25 PRO HD2 . . 4.200 4.227 4.214 4.245 0.045 10 0 "[ . 1 . 2]" 1
387 1 17 LEU MD2 1 25 PRO HD2 . . 3.200 1.929 1.895 1.963 . 0 0 "[ . 1 . 2]" 1
388 1 17 LEU MD2 1 26 LYS H . . 5.390 2.991 2.911 3.121 . 0 0 "[ . 1 . 2]" 1
389 1 17 LEU MD2 1 26 LYS HB3 . . 4.760 4.111 3.984 4.268 . 0 0 "[ . 1 . 2]" 1
390 1 17 LEU MD2 1 26 LYS HB2 . . 3.210 2.674 2.545 2.832 . 0 0 "[ . 1 . 2]" 1
391 1 18 TYR HA 1 18 TYR QE . . 5.500 4.506 4.387 4.604 . 0 0 "[ . 1 . 2]" 1
392 1 18 TYR H 1 18 TYR QD . . 5.130 2.758 2.381 3.208 . 0 0 "[ . 1 . 2]" 1
393 1 18 TYR H 1 18 TYR HB3 . . 3.660 3.494 3.325 3.574 . 0 0 "[ . 1 . 2]" 1
394 1 18 TYR H 1 18 TYR HB2 . . 3.610 2.228 2.123 2.311 . 0 0 "[ . 1 . 2]" 1
395 1 18 TYR HB3 1 19 THR H . . 4.400 2.956 2.838 3.132 . 0 0 "[ . 1 . 2]" 1
396 1 18 TYR HB2 1 19 THR H . . 4.500 4.146 4.042 4.265 . 0 0 "[ . 1 . 2]" 1
397 1 18 TYR QD 1 19 THR H . . 5.500 3.484 3.122 3.723 . 0 0 "[ . 1 . 2]" 1
398 1 18 TYR HA 1 19 THR HB . . 5.120 4.451 4.418 4.520 . 0 0 "[ . 1 . 2]" 1
399 1 18 TYR HA 1 19 THR HA . . 4.580 4.497 4.487 4.516 . 0 0 "[ . 1 . 2]" 1
400 1 18 TYR HA 1 19 THR MG . . 4.520 3.643 3.488 3.772 . 0 0 "[ . 1 . 2]" 1
401 1 18 TYR HA 1 19 THR H . . 2.740 2.241 2.224 2.272 . 0 0 "[ . 1 . 2]" 1
402 1 18 TYR QD 1 34 PRO HG3 . . 5.500 3.745 3.378 4.186 . 0 0 "[ . 1 . 2]" 1
403 1 18 TYR QE 1 34 PRO HD2 . . 5.500 4.090 3.721 4.626 . 0 0 "[ . 1 . 2]" 1
404 1 18 TYR QE 1 34 PRO HB3 . . 5.500 4.037 3.430 4.387 . 0 0 "[ . 1 . 2]" 1
405 1 18 TYR QE 1 34 PRO HG3 . . 5.500 2.376 2.043 3.000 . 0 0 "[ . 1 . 2]" 1
406 1 18 TYR QE 1 34 PRO HG2 . . 4.700 2.891 2.536 3.583 . 0 0 "[ . 1 . 2]" 1
407 1 18 TYR QE 1 34 PRO HB2 . . 4.610 3.865 3.538 4.170 . 0 0 "[ . 1 . 2]" 1
408 1 19 THR H 1 19 THR HG1 . . 5.500 5.111 5.058 5.139 . 0 0 "[ . 1 . 2]" 1
409 1 19 THR H 1 19 THR MG . . 4.130 2.590 2.526 2.660 . 0 0 "[ . 1 . 2]" 1
410 1 19 THR H 1 19 THR HB . . 3.940 3.515 3.502 3.567 . 0 0 "[ . 1 . 2]" 1
411 1 19 THR HA 1 19 THR MG . . 3.400 3.197 3.188 3.204 . 0 0 "[ . 1 . 2]" 1
412 1 19 THR H 1 19 THR HA . . 2.800 2.815 2.812 2.818 0.018 17 0 "[ . 1 . 2]" 1
413 1 19 THR HA 1 20 LEU HG . . 5.500 3.796 3.432 4.093 . 0 0 "[ . 1 . 2]" 1
414 1 19 THR H 1 20 LEU MD1 . . 5.500 5.428 5.217 5.578 0.078 10 0 "[ . 1 . 2]" 1
415 1 19 THR H 1 20 LEU MD2 . . 5.300 5.296 5.017 5.341 0.041 10 0 "[ . 1 . 2]" 1
416 1 19 THR MG 1 20 LEU HA . . 5.210 3.716 3.557 3.951 . 0 0 "[ . 1 . 2]" 1
417 1 19 THR H 1 20 LEU HG . . 5.000 4.491 4.369 4.587 . 0 0 "[ . 1 . 2]" 1
418 1 19 THR H 1 20 LEU H . . 4.940 4.362 4.345 4.365 . 0 0 "[ . 1 . 2]" 1
419 1 19 THR HG1 1 20 LEU H . . 4.670 2.909 2.752 3.082 . 0 0 "[ . 1 . 2]" 1
420 1 19 THR HB 1 20 LEU H . . 4.590 3.640 3.596 3.716 . 0 0 "[ . 1 . 2]" 1
421 1 19 THR MG 1 20 LEU H . . 3.870 3.033 2.882 3.371 . 0 0 "[ . 1 . 2]" 1
422 1 19 THR HA 1 20 LEU H . . 2.760 2.551 2.437 2.602 . 0 0 "[ . 1 . 2]" 1
423 1 19 THR HA 1 21 LYS H . . 5.500 4.105 4.022 4.149 . 0 0 "[ . 1 . 2]" 1
424 1 19 THR HG1 1 21 LYS HG2 . . 5.500 3.969 2.535 4.490 . 0 0 "[ . 1 . 2]" 1
425 1 19 THR H 1 21 LYS H . . 5.500 5.282 5.057 5.344 . 0 0 "[ . 1 . 2]" 1
426 1 19 THR HG1 1 21 LYS H . . 4.800 2.938 2.478 3.111 . 0 0 "[ . 1 . 2]" 1
427 1 19 THR MG 1 21 LYS HB3 . . 4.600 4.472 4.329 4.610 0.010 18 0 "[ . 1 . 2]" 1
428 1 19 THR MG 1 21 LYS H . . 4.580 2.372 2.298 2.496 . 0 0 "[ . 1 . 2]" 1
429 1 19 THR MG 1 21 LYS HB2 . . 4.500 3.071 2.882 3.263 . 0 0 "[ . 1 . 2]" 1
430 1 19 THR MG 1 22 GLU HA . . 5.500 3.826 3.708 3.919 . 0 0 "[ . 1 . 2]" 1
431 1 19 THR MG 1 22 GLU H . . 4.800 2.733 2.632 2.849 . 0 0 "[ . 1 . 2]" 1
432 1 19 THR MG 1 23 ILE H . . 5.500 2.850 2.730 2.941 . 0 0 "[ . 1 . 2]" 1
433 1 19 THR MG 1 24 CYS H . . 5.500 4.614 4.506 4.708 . 0 0 "[ . 1 . 2]" 1
434 1 19 THR MG 1 24 CYS HA . . 5.500 3.137 2.987 3.223 . 0 0 "[ . 1 . 2]" 1
435 1 19 THR MG 1 25 PRO HD3 . . 3.200 3.133 2.980 3.210 0.010 17 0 "[ . 1 . 2]" 1
436 1 19 THR HG1 1 25 PRO HG2 . . 5.500 5.251 5.099 5.486 . 0 0 "[ . 1 . 2]" 1
437 1 19 THR MG 1 25 PRO HG3 . . 5.150 4.421 4.281 4.568 . 0 0 "[ . 1 . 2]" 1
438 1 19 THR MG 1 25 PRO HD2 . . 3.920 3.425 3.209 3.609 . 0 0 "[ . 1 . 2]" 1
439 1 19 THR MG 1 31 THR HB . . 5.500 3.419 3.220 3.552 . 0 0 "[ . 1 . 2]" 1
440 1 19 THR MG 1 31 THR MG . . 3.380 2.139 2.046 2.267 . 0 0 "[ . 1 . 2]" 1
441 1 20 LEU H 1 20 LEU MD2 . . 4.500 4.395 4.241 4.473 . 0 0 "[ . 1 . 2]" 1
442 1 20 LEU H 1 20 LEU MD1 . . 4.200 3.630 3.265 3.936 . 0 0 "[ . 1 . 2]" 1
443 1 20 LEU H 1 20 LEU HG . . 3.790 3.320 2.941 3.623 . 0 0 "[ . 1 . 2]" 1
444 1 20 LEU HA 1 20 LEU MD2 . . 3.500 2.615 2.454 2.840 . 0 0 "[ . 1 . 2]" 1
445 1 20 LEU HA 1 20 LEU HG . . 3.070 2.641 2.588 2.787 . 0 0 "[ . 1 . 2]" 1
446 1 20 LEU QB 1 20 LEU MD1 . . 2.590 1.975 1.914 2.048 . 0 0 "[ . 1 . 2]" 1
447 1 20 LEU MD1 1 21 LYS H . . 5.500 4.964 4.671 5.165 . 0 0 "[ . 1 . 2]" 1
448 1 20 LEU MD2 1 21 LYS H . . 5.500 5.132 5.014 5.230 . 0 0 "[ . 1 . 2]" 1
449 1 20 LEU H 1 21 LYS HB3 . . 5.500 5.324 5.255 5.502 0.002 1 0 "[ . 1 . 2]" 1
450 1 20 LEU H 1 21 LYS HB2 . . 5.500 4.064 3.884 4.438 . 0 0 "[ . 1 . 2]" 1
451 1 20 LEU H 1 21 LYS HG3 . . 5.080 3.942 2.785 4.654 . 0 0 "[ . 1 . 2]" 1
452 1 20 LEU HG 1 21 LYS H . . 4.850 4.781 4.584 4.941 0.091 10 0 "[ . 1 . 2]" 1
453 1 20 LEU QB 1 21 LYS H . . 4.340 3.437 3.385 3.587 . 0 0 "[ . 1 . 2]" 1
454 1 20 LEU H 1 21 LYS HG2 . . 4.100 3.763 2.893 4.098 . 0 0 "[ . 1 . 2]" 1
455 1 21 LYS HA 1 21 LYS HE3 . . 5.500 3.821 2.169 5.490 . 0 0 "[ . 1 . 2]" 1
456 1 21 LYS H 1 21 LYS HE2 . . 5.500 5.204 4.636 5.505 0.005 5 0 "[ . 1 . 2]" 1
457 1 21 LYS H 1 21 LYS HE3 . . 5.500 5.011 3.984 5.506 0.006 14 0 "[ . 1 . 2]" 1
458 1 21 LYS HE3 1 21 LYS HG2 . . 4.230 2.699 2.009 4.239 0.009 4 0 "[ . 1 . 2]" 1
459 1 21 LYS HA 1 21 LYS QD . . 4.500 3.239 2.109 4.306 . 0 0 "[ . 1 . 2]" 1
460 1 21 LYS HA 1 21 LYS HG2 . . 4.000 2.545 2.308 3.270 . 0 0 "[ . 1 . 2]" 1
461 1 21 LYS H 1 21 LYS HB3 . . 3.800 3.594 3.568 3.640 . 0 0 "[ . 1 . 2]" 1
462 1 21 LYS HA 1 21 LYS HG3 . . 3.700 3.580 3.286 3.783 0.083 4 0 "[ . 1 . 2]" 1
463 1 21 LYS H 1 21 LYS HG3 . . 3.620 3.123 2.038 3.665 0.045 4 0 "[ . 1 . 2]" 1
464 1 21 LYS H 1 21 LYS HG2 . . 3.610 2.930 2.161 3.270 . 0 0 "[ . 1 . 2]" 1
465 1 21 LYS H 1 21 LYS HB2 . . 3.500 2.412 2.311 2.653 . 0 0 "[ . 1 . 2]" 1
466 1 21 LYS HA 1 21 LYS HB3 . . 3.000 2.509 2.381 2.568 . 0 0 "[ . 1 . 2]" 1
467 1 21 LYS HA 1 21 LYS HB2 . . 3.000 3.017 3.011 3.023 0.023 3 0 "[ . 1 . 2]" 1
468 1 21 LYS HB2 1 21 LYS HG2 . . 3.000 2.782 2.414 3.012 0.012 9 0 "[ . 1 . 2]" 1
469 1 21 LYS QD 1 21 LYS HG3 . . 2.690 2.242 2.145 2.480 . 0 0 "[ . 1 . 2]" 1
470 1 21 LYS H 1 22 GLU HA . . 5.500 4.721 4.570 4.769 . 0 0 "[ . 1 . 2]" 1
471 1 21 LYS HB3 1 22 GLU H . . 4.500 4.229 4.133 4.390 . 0 0 "[ . 1 . 2]" 1
472 1 21 LYS HA 1 22 GLU HG2 . . 4.500 4.514 4.501 4.526 0.026 18 0 "[ . 1 . 2]" 1
473 1 21 LYS HA 1 22 GLU HG3 . . 4.500 3.859 3.683 4.208 . 0 0 "[ . 1 . 2]" 1
474 1 21 LYS HB2 1 22 GLU H . . 4.500 3.546 3.490 3.623 . 0 0 "[ . 1 . 2]" 1
475 1 21 LYS HA 1 22 GLU H . . 3.200 3.271 3.235 3.290 0.090 15 0 "[ . 1 . 2]" 1
476 1 21 LYS H 1 23 ILE H . . 5.500 3.614 3.491 3.683 . 0 0 "[ . 1 . 2]" 1
477 1 21 LYS HA 1 23 ILE H . . 4.660 4.153 4.134 4.182 . 0 0 "[ . 1 . 2]" 1
478 1 21 LYS HB3 1 23 ILE H . . 4.380 3.380 3.185 3.721 . 0 0 "[ . 1 . 2]" 1
479 1 21 LYS HB2 1 23 ILE H . . 3.660 2.734 2.487 2.845 . 0 0 "[ . 1 . 2]" 1
480 1 22 GLU H 1 22 GLU HG3 . . 4.940 3.547 3.445 3.732 . 0 0 "[ . 1 . 2]" 1
481 1 22 GLU H 1 22 GLU HG2 . . 4.780 2.822 2.752 2.881 . 0 0 "[ . 1 . 2]" 1
482 1 22 GLU H 1 22 GLU HB3 . . 3.940 4.048 4.038 4.061 0.121 14 0 "[ . 1 . 2]" 1
483 1 22 GLU H 1 22 GLU HB2 . . 3.790 3.631 3.556 3.669 . 0 0 "[ . 1 . 2]" 1
484 1 22 GLU HA 1 22 GLU HG3 . . 3.750 3.603 3.571 3.648 . 0 0 "[ . 1 . 2]" 1
485 1 22 GLU HA 1 22 GLU HG2 . . 3.170 2.478 2.438 2.514 . 0 0 "[ . 1 . 2]" 1
486 1 22 GLU HA 1 22 GLU HB2 . . 3.000 3.022 3.019 3.024 0.024 9 0 "[ . 1 . 2]" 1
487 1 22 GLU HA 1 22 GLU HB3 . . 3.000 2.428 2.405 2.472 . 0 0 "[ . 1 . 2]" 1
488 1 22 GLU HB2 1 22 GLU HG2 . . 3.000 2.924 2.861 2.953 . 0 0 "[ . 1 . 2]" 1
489 1 22 GLU HB3 1 22 GLU HG3 . . 3.000 2.919 2.854 2.949 . 0 0 "[ . 1 . 2]" 1
490 1 22 GLU HB2 1 22 GLU HG3 . . 3.000 2.237 2.210 2.261 . 0 0 "[ . 1 . 2]" 1
491 1 22 GLU HB3 1 22 GLU HG2 . . 3.000 2.724 2.674 2.810 . 0 0 "[ . 1 . 2]" 1
492 1 22 GLU HG2 1 23 ILE H . . 5.500 4.762 4.737 4.786 . 0 0 "[ . 1 . 2]" 1
493 1 22 GLU H 1 23 ILE HB . . 5.490 5.305 5.279 5.324 . 0 0 "[ . 1 . 2]" 1
494 1 22 GLU HB3 1 23 ILE HG13 . . 5.350 5.453 5.412 5.487 0.137 18 0 "[ . 1 . 2]" 1
495 1 22 GLU HG3 1 23 ILE H . . 5.240 4.985 4.835 5.248 0.008 14 0 "[ . 1 . 2]" 1
496 1 22 GLU HB2 1 23 ILE HG12 . . 4.930 2.886 2.830 2.973 . 0 0 "[ . 1 . 2]" 1
497 1 22 GLU HB3 1 23 ILE H . . 4.800 4.414 4.389 4.429 . 0 0 "[ . 1 . 2]" 1
498 1 22 GLU HB2 1 23 ILE H . . 4.700 3.756 3.714 3.817 . 0 0 "[ . 1 . 2]" 1
499 1 22 GLU HB3 1 23 ILE HG12 . . 3.880 3.808 3.774 3.837 . 0 0 "[ . 1 . 2]" 1
500 1 22 GLU H 1 23 ILE H . . 3.500 2.652 2.643 2.667 . 0 0 "[ . 1 . 2]" 1
501 1 22 GLU HB2 1 31 THR H . . 5.500 4.902 4.856 4.993 . 0 0 "[ . 1 . 2]" 1
502 1 22 GLU HA 1 31 THR H . . 5.500 3.289 3.165 3.507 . 0 0 "[ . 1 . 2]" 1
503 1 22 GLU HB3 1 31 THR H . . 4.700 4.086 4.020 4.186 . 0 0 "[ . 1 . 2]" 1
504 1 22 GLU HA 1 31 THR MG . . 4.200 4.104 4.006 4.206 0.006 4 0 "[ . 1 . 2]" 1
505 1 23 ILE H 1 23 ILE MD . . 5.500 3.994 3.953 4.080 . 0 0 "[ . 1 . 2]" 1
506 1 23 ILE H 1 23 ILE HG13 . . 4.500 4.373 4.264 4.430 . 0 0 "[ . 1 . 2]" 1
507 1 23 ILE HA 1 23 ILE HG13 . . 3.990 3.747 3.727 3.762 . 0 0 "[ . 1 . 2]" 1
508 1 23 ILE HA 1 23 ILE HG12 . . 3.870 2.963 2.870 2.997 . 0 0 "[ . 1 . 2]" 1
509 1 23 ILE H 1 23 ILE HG12 . . 3.800 3.099 3.059 3.172 . 0 0 "[ . 1 . 2]" 1
510 1 23 ILE MD 1 23 ILE MG . . 3.740 1.982 1.926 2.046 . 0 0 "[ . 1 . 2]" 1
511 1 23 ILE HG12 1 23 ILE MG . . 3.580 3.193 3.184 3.199 . 0 0 "[ . 1 . 2]" 1
512 1 23 ILE HA 1 23 ILE MG . . 3.300 2.323 2.295 2.352 . 0 0 "[ . 1 . 2]" 1
513 1 23 ILE HB 1 23 ILE HG12 . . 3.020 2.507 2.497 2.557 . 0 0 "[ . 1 . 2]" 1
514 1 23 ILE H 1 23 ILE HB . . 2.960 2.856 2.827 2.869 . 0 0 "[ . 1 . 2]" 1
515 1 23 ILE HA 1 23 ILE HB . . 2.950 3.021 3.019 3.022 0.072 5 0 "[ . 1 . 2]" 1
516 1 23 ILE HG13 1 23 ILE MG . . 2.890 2.375 2.350 2.470 . 0 0 "[ . 1 . 2]" 1
517 1 23 ILE HA 1 23 ILE MD . . 2.660 2.104 2.051 2.140 . 0 0 "[ . 1 . 2]" 1
518 1 23 ILE HB 1 23 ILE HG13 . . 2.400 2.407 2.364 2.414 0.014 11 0 "[ . 1 . 2]" 1
519 1 23 ILE HG13 1 24 CYS H . . 5.500 5.195 5.142 5.305 . 0 0 "[ . 1 . 2]" 1
520 1 23 ILE HA 1 24 CYS HB3 . . 5.500 4.636 4.615 4.668 . 0 0 "[ . 1 . 2]" 1
521 1 23 ILE HB 1 24 CYS H . . 5.500 3.963 3.889 4.123 . 0 0 "[ . 1 . 2]" 1
522 1 23 ILE HA 1 24 CYS HB2 . . 5.500 4.499 4.473 4.524 . 0 0 "[ . 1 . 2]" 1
523 1 23 ILE H 1 24 CYS H . . 5.500 4.329 4.254 4.360 . 0 0 "[ . 1 . 2]" 1
524 1 23 ILE MD 1 24 CYS H . . 5.500 3.370 3.314 3.446 . 0 0 "[ . 1 . 2]" 1
525 1 23 ILE MG 1 24 CYS HB2 . . 5.500 4.451 4.405 4.495 . 0 0 "[ . 1 . 2]" 1
526 1 23 ILE MG 1 24 CYS HB3 . . 5.360 3.786 3.718 3.845 . 0 0 "[ . 1 . 2]" 1
527 1 23 ILE MG 1 24 CYS HA . . 5.100 3.914 3.857 3.988 . 0 0 "[ . 1 . 2]" 1
528 1 23 ILE MG 1 24 CYS H . . 4.760 2.151 2.076 2.238 . 0 0 "[ . 1 . 2]" 1
529 1 23 ILE HA 1 24 CYS H . . 2.810 2.219 2.171 2.241 . 0 0 "[ . 1 . 2]" 1
530 1 23 ILE MG 1 25 PRO HD3 . . 5.500 4.197 4.060 4.424 . 0 0 "[ . 1 . 2]" 1
531 1 23 ILE MG 1 28 GLY H . . 5.500 4.089 3.983 4.170 . 0 0 "[ . 1 . 2]" 1
532 1 23 ILE MG 1 28 GLY HA2 . . 5.100 2.736 2.555 2.860 . 0 0 "[ . 1 . 2]" 1
533 1 23 ILE MG 1 28 GLY HA3 . . 4.170 3.921 3.662 4.081 . 0 0 "[ . 1 . 2]" 1
534 1 23 ILE MG 1 29 GLU HA . . 5.500 4.008 3.605 4.489 . 0 0 "[ . 1 . 2]" 1
535 1 23 ILE MG 1 29 GLU H . . 5.220 3.786 3.000 4.401 . 0 0 "[ . 1 . 2]" 1
536 1 23 ILE HG13 1 30 LYS HA . . 5.500 4.594 4.533 4.791 . 0 0 "[ . 1 . 2]" 1
537 1 23 ILE H 1 30 LYS HA . . 5.500 4.641 4.550 4.875 . 0 0 "[ . 1 . 2]" 1
538 1 23 ILE HA 1 30 LYS H . . 5.500 4.400 4.284 4.538 . 0 0 "[ . 1 . 2]" 1
539 1 23 ILE MG 1 30 LYS H . . 5.500 4.100 3.917 4.446 . 0 0 "[ . 1 . 2]" 1
540 1 23 ILE MD 1 30 LYS H . . 5.500 3.258 3.155 3.420 . 0 0 "[ . 1 . 2]" 1
541 1 23 ILE MD 1 30 LYS HB3 . . 5.400 3.184 2.304 3.963 . 0 0 "[ . 1 . 2]" 1
542 1 23 ILE MD 1 30 LYS HG3 . . 5.290 3.300 1.873 4.611 . 0 0 "[ . 1 . 2]" 1
543 1 23 ILE MD 1 30 LYS QE . . 5.130 3.835 2.499 5.155 0.025 8 0 "[ . 1 . 2]" 1
544 1 23 ILE MD 1 30 LYS QD . . 4.980 2.746 2.019 3.880 . 0 0 "[ . 1 . 2]" 1
545 1 23 ILE HA 1 30 LYS HA . . 4.570 2.068 1.977 2.347 . 0 0 "[ . 1 . 2]" 1
546 1 23 ILE MD 1 30 LYS HB2 . . 4.460 3.350 2.476 3.878 . 0 0 "[ . 1 . 2]" 1
547 1 23 ILE MG 1 30 LYS HA . . 3.950 3.238 3.126 3.430 . 0 0 "[ . 1 . 2]" 1
548 1 23 ILE HG12 1 30 LYS HA . . 3.840 3.851 3.794 3.877 0.037 3 0 "[ . 1 . 2]" 1
549 1 23 ILE MD 1 30 LYS HA . . 3.660 1.917 1.885 1.959 . 0 0 "[ . 1 . 2]" 1
550 1 23 ILE MG 1 31 THR H . . 5.500 4.503 4.306 4.597 . 0 0 "[ . 1 . 2]" 1
551 1 23 ILE HG12 1 31 THR H . . 5.500 4.409 4.351 4.462 . 0 0 "[ . 1 . 2]" 1
552 1 23 ILE MD 1 31 THR H . . 5.500 3.390 3.273 3.536 . 0 0 "[ . 1 . 2]" 1
553 1 23 ILE HA 1 31 THR MG . . 5.500 3.491 3.120 3.705 . 0 0 "[ . 1 . 2]" 1
554 1 23 ILE H 1 31 THR H . . 5.030 3.917 3.818 4.133 . 0 0 "[ . 1 . 2]" 1
555 1 23 ILE HA 1 31 THR H . . 4.980 2.622 2.428 2.740 . 0 0 "[ . 1 . 2]" 1
556 1 23 ILE H 1 31 THR MG . . 4.550 3.588 3.448 3.689 . 0 0 "[ . 1 . 2]" 1
557 1 24 CYS H 1 24 CYS HB2 . . 3.600 2.730 2.615 2.799 . 0 0 "[ . 1 . 2]" 1
558 1 24 CYS H 1 24 CYS HB3 . . 3.190 2.465 2.446 2.490 . 0 0 "[ . 1 . 2]" 1
559 1 24 CYS HB3 1 25 PRO HD2 . . 5.500 4.477 4.427 4.506 . 0 0 "[ . 1 . 2]" 1
560 1 24 CYS H 1 25 PRO HD2 . . 5.500 4.732 4.723 4.745 . 0 0 "[ . 1 . 2]" 1
561 1 24 CYS HB2 1 25 PRO HD2 . . 5.310 4.037 4.002 4.063 . 0 0 "[ . 1 . 2]" 1
562 1 24 CYS H 1 25 PRO HD3 . . 5.500 4.507 4.473 4.566 . 0 0 "[ . 1 . 2]" 1
563 1 24 CYS HA 1 25 PRO HD3 . . 3.500 2.376 2.354 2.389 . 0 0 "[ . 1 . 2]" 1
564 1 24 CYS HA 1 26 LYS H . . 5.500 3.431 3.417 3.458 . 0 0 "[ . 1 . 2]" 1
565 1 24 CYS HB3 1 26 LYS H . . 5.000 3.808 3.705 3.880 . 0 0 "[ . 1 . 2]" 1
566 1 24 CYS HB2 1 26 LYS H . . 4.800 4.372 4.349 4.386 . 0 0 "[ . 1 . 2]" 1
567 1 24 CYS H 1 27 CYS H . . 5.500 5.433 5.388 5.469 . 0 0 "[ . 1 . 2]" 1
568 1 24 CYS HB3 1 27 CYS H . . 4.500 3.274 3.156 3.352 . 0 0 "[ . 1 . 2]" 1
569 1 24 CYS HB2 1 27 CYS H . . 4.500 4.451 4.384 4.498 . 0 0 "[ . 1 . 2]" 1
570 1 24 CYS H 1 28 GLY H . . 5.500 4.057 3.977 4.107 . 0 0 "[ . 1 . 2]" 1
571 1 24 CYS H 1 28 GLY HA3 . . 5.500 5.301 5.099 5.385 . 0 0 "[ . 1 . 2]" 1
572 1 24 CYS HB2 1 28 GLY H . . 4.950 4.142 3.911 4.240 . 0 0 "[ . 1 . 2]" 1
573 1 24 CYS HB3 1 28 GLY H . . 4.820 2.444 2.183 2.561 . 0 0 "[ . 1 . 2]" 1
574 1 24 CYS HB2 1 29 GLU H . . 5.500 3.791 3.459 4.600 . 0 0 "[ . 1 . 2]" 1
575 1 24 CYS H 1 29 GLU HB2 . . 5.500 5.541 5.276 5.661 0.161 19 0 "[ . 1 . 2]" 1
576 1 24 CYS HB3 1 29 GLU H . . 5.500 2.222 1.923 3.100 . 0 0 "[ . 1 . 2]" 1
577 1 24 CYS H 1 29 GLU HB3 . . 5.500 4.521 4.433 5.180 . 0 0 "[ . 1 . 2]" 1
578 1 24 CYS H 1 29 GLU H . . 5.490 3.396 2.493 4.358 . 0 0 "[ . 1 . 2]" 1
579 1 24 CYS H 1 30 LYS HA . . 5.500 3.361 3.121 3.842 . 0 0 "[ . 1 . 2]" 1
580 1 24 CYS H 1 31 THR HA . . 5.500 4.982 4.823 5.088 . 0 0 "[ . 1 . 2]" 1
581 1 24 CYS H 1 31 THR H . . 5.500 4.014 3.785 4.155 . 0 0 "[ . 1 . 2]" 1
582 1 24 CYS HB3 1 31 THR MG . . 4.960 4.014 3.795 4.136 . 0 0 "[ . 1 . 2]" 1
583 1 24 CYS H 1 31 THR MG . . 4.800 3.356 3.087 3.450 . 0 0 "[ . 1 . 2]" 1
584 1 24 CYS HB2 1 31 THR MG . . 4.090 2.686 2.541 2.785 . 0 0 "[ . 1 . 2]" 1
585 1 24 CYS HA 1 31 THR MG . . 3.000 3.008 2.934 3.059 0.059 18 0 "[ . 1 . 2]" 1
586 1 25 PRO HD3 1 26 LYS H . . 5.500 3.957 3.944 3.969 . 0 0 "[ . 1 . 2]" 1
587 1 25 PRO HD2 1 26 LYS QD . . 5.000 4.704 4.357 5.032 0.032 20 0 "[ . 1 . 2]" 1
588 1 25 PRO HG2 1 26 LYS H . . 4.800 3.090 3.045 3.131 . 0 0 "[ . 1 . 2]" 1
589 1 25 PRO HG3 1 26 LYS H . . 4.800 4.422 4.387 4.451 . 0 0 "[ . 1 . 2]" 1
590 1 25 PRO HD2 1 26 LYS H . . 3.900 2.865 2.840 2.888 . 0 0 "[ . 1 . 2]" 1
591 1 25 PRO HA 1 26 LYS H . . 3.220 3.373 3.363 3.386 0.166 14 0 "[ . 1 . 2]" 1
592 1 25 PRO HD2 1 27 CYS H . . 5.000 5.128 5.067 5.155 0.155 9 0 "[ . 1 . 2]" 1
593 1 25 PRO HA 1 28 GLY H . . 5.500 4.580 4.484 4.792 . 0 0 "[ . 1 . 2]" 1
594 1 25 PRO HD3 1 31 THR MG . . 5.500 4.342 4.183 4.427 . 0 0 "[ . 1 . 2]" 1
595 1 26 LYS H 1 26 LYS QD . . 5.500 3.598 3.279 4.115 . 0 0 "[ . 1 . 2]" 1
596 1 26 LYS H 1 26 LYS QE . . 5.390 4.988 4.046 5.412 0.022 11 0 "[ . 1 . 2]" 1
597 1 26 LYS H 1 26 LYS HG3 . . 4.500 4.324 3.894 4.548 0.048 14 0 "[ . 1 . 2]" 1
598 1 26 LYS H 1 26 LYS HG2 . . 4.500 4.574 4.513 4.655 0.155 16 0 "[ . 1 . 2]" 1
599 1 26 LYS HA 1 26 LYS HG2 . . 4.010 3.341 2.754 3.597 . 0 0 "[ . 1 . 2]" 1
600 1 26 LYS H 1 26 LYS HB3 . . 3.700 3.112 3.030 3.169 . 0 0 "[ . 1 . 2]" 1
601 1 26 LYS H 1 26 LYS HB2 . . 3.650 2.177 2.159 2.197 . 0 0 "[ . 1 . 2]" 1
602 1 26 LYS HA 1 26 LYS HG3 . . 3.170 2.397 2.131 2.620 . 0 0 "[ . 1 . 2]" 1
603 1 26 LYS HA 1 26 LYS HB2 . . 2.880 2.793 2.750 2.822 . 0 0 "[ . 1 . 2]" 1
604 1 26 LYS HB3 1 26 LYS HG2 . . 2.690 2.361 2.276 2.419 . 0 0 "[ . 1 . 2]" 1
605 1 26 LYS HG2 1 27 CYS H . . 5.500 4.565 4.361 4.684 . 0 0 "[ . 1 . 2]" 1
606 1 26 LYS H 1 27 CYS HA . . 5.500 5.125 5.088 5.156 . 0 0 "[ . 1 . 2]" 1
607 1 26 LYS HG3 1 27 CYS H . . 5.050 4.532 4.302 4.785 . 0 0 "[ . 1 . 2]" 1
608 1 26 LYS H 1 27 CYS H . . 4.210 2.627 2.591 2.655 . 0 0 "[ . 1 . 2]" 1
609 1 26 LYS HB3 1 27 CYS H . . 3.800 2.299 2.243 2.347 . 0 0 "[ . 1 . 2]" 1
610 1 26 LYS HB2 1 27 CYS H . . 3.600 3.032 2.944 3.139 . 0 0 "[ . 1 . 2]" 1
611 1 26 LYS H 1 28 GLY H . . 3.670 3.536 3.470 3.659 . 0 0 "[ . 1 . 2]" 1
612 1 27 CYS H 1 27 CYS HB3 . . 3.800 2.902 2.837 2.998 . 0 0 "[ . 1 . 2]" 1
613 1 27 CYS H 1 27 CYS HB2 . . 3.600 3.682 3.667 3.696 0.096 18 0 "[ . 1 . 2]" 1
614 1 27 CYS HB2 1 28 GLY H . . 5.500 3.765 3.653 3.826 . 0 0 "[ . 1 . 2]" 1
615 1 27 CYS H 1 28 GLY HA3 . . 5.500 4.821 4.783 4.852 . 0 0 "[ . 1 . 2]" 1
616 1 27 CYS H 1 28 GLY H . . 4.640 2.139 2.103 2.176 . 0 0 "[ . 1 . 2]" 1
617 1 27 CYS HB3 1 28 GLY H . . 4.640 3.965 3.949 3.994 . 0 0 "[ . 1 . 2]" 1
618 1 27 CYS HA 1 28 GLY H . . 3.500 3.523 3.516 3.537 0.037 14 0 "[ . 1 . 2]" 1
619 1 27 CYS H 1 29 GLU H . . 5.500 3.849 3.698 4.147 . 0 0 "[ . 1 . 2]" 1
620 1 27 CYS HB3 1 29 GLU H . . 5.500 4.765 4.428 5.489 . 0 0 "[ . 1 . 2]" 1
621 1 27 CYS HB2 1 29 GLU H . . 5.200 4.122 3.343 4.886 . 0 0 "[ . 1 . 2]" 1
622 1 28 GLY H 1 29 GLU HB2 . . 5.500 4.756 4.611 5.663 0.163 14 0 "[ . 1 . 2]" 1
623 1 28 GLY H 1 29 GLU HB3 . . 4.800 4.243 4.172 4.349 . 0 0 "[ . 1 . 2]" 1
624 1 28 GLY H 1 29 GLU H . . 3.240 2.186 2.058 2.506 . 0 0 "[ . 1 . 2]" 1
625 1 29 GLU H 1 29 GLU HG3 . . 5.500 4.270 2.288 4.573 . 0 0 "[ . 1 . 2]" 1
626 1 29 GLU H 1 29 GLU HG2 . . 5.500 4.678 3.767 4.801 . 0 0 "[ . 1 . 2]" 1
627 1 29 GLU HA 1 29 GLU HG2 . . 4.110 3.738 3.615 4.241 0.131 14 0 "[ . 1 . 2]" 1
628 1 29 GLU HA 1 29 GLU HG3 . . 4.110 3.383 3.255 3.665 . 0 0 "[ . 1 . 2]" 1
629 1 29 GLU H 1 29 GLU HB3 . . 3.980 2.544 2.439 3.085 . 0 0 "[ . 1 . 2]" 1
630 1 29 GLU HA 1 29 GLU HB3 . . 3.000 2.993 2.512 3.023 0.023 13 0 "[ . 1 . 2]" 1
631 1 29 GLU HA 1 29 GLU HB2 . . 3.000 2.420 2.383 2.509 . 0 0 "[ . 1 . 2]" 1
632 1 29 GLU HB3 1 29 GLU HG3 . . 2.400 2.358 2.312 2.595 0.195 14 0 "[ . 1 . 2]" 1
633 1 29 GLU HG2 1 30 LYS H . . 5.500 4.207 4.064 4.944 . 0 0 "[ . 1 . 2]" 1
634 1 29 GLU HG3 1 30 LYS H . . 5.230 3.196 2.944 4.477 . 0 0 "[ . 1 . 2]" 1
635 1 29 GLU HB2 1 30 LYS H . . 5.010 3.987 2.768 4.225 . 0 0 "[ . 1 . 2]" 1
636 1 29 GLU HB3 1 30 LYS H . . 4.940 4.087 3.919 4.183 . 0 0 "[ . 1 . 2]" 1
637 1 29 GLU HA 1 30 LYS H . . 2.750 2.199 2.170 2.283 . 0 0 "[ . 1 . 2]" 1
638 1 30 LYS H 1 30 LYS HG3 . . 5.500 3.257 2.311 4.450 . 0 0 "[ . 1 . 2]" 1
639 1 30 LYS H 1 30 LYS QE . . 5.500 4.466 3.886 5.427 . 0 0 "[ . 1 . 2]" 1
640 1 30 LYS H 1 30 LYS QD . . 5.500 3.948 2.005 4.668 . 0 0 "[ . 1 . 2]" 1
641 1 30 LYS H 1 30 LYS HG2 . . 4.420 3.173 2.285 4.436 0.016 4 0 "[ . 1 . 2]" 1
642 1 30 LYS HA 1 30 LYS HG3 . . 4.200 3.302 2.182 4.181 . 0 0 "[ . 1 . 2]" 1
643 1 30 LYS H 1 30 LYS HB3 . . 4.160 3.140 2.399 3.583 . 0 0 "[ . 1 . 2]" 1
644 1 30 LYS H 1 30 LYS HB2 . . 4.120 2.693 2.086 3.583 . 0 0 "[ . 1 . 2]" 1
645 1 30 LYS HA 1 30 LYS HG2 . . 4.200 2.917 2.181 3.621 . 0 0 "[ . 1 . 2]" 1
646 1 30 LYS HA 1 30 LYS QD . . 3.800 3.579 2.911 3.809 0.009 4 0 "[ . 1 . 2]" 1
647 1 30 LYS HB2 1 30 LYS HG3 . . 3.000 2.377 2.214 2.984 . 0 0 "[ . 1 . 2]" 1
648 1 30 LYS HB3 1 30 LYS HG3 . . 3.000 2.899 2.608 2.979 . 0 0 "[ . 1 . 2]" 1
649 1 30 LYS HB2 1 30 LYS HG2 . . 3.000 2.901 2.597 2.976 . 0 0 "[ . 1 . 2]" 1
650 1 30 LYS HA 1 30 LYS HB3 . . 2.950 2.621 2.359 3.018 0.068 14 0 "[ . 1 . 2]" 1
651 1 30 LYS HA 1 30 LYS HB2 . . 2.950 2.776 2.379 3.022 0.072 20 0 "[ . 1 . 2]" 1
652 1 30 LYS QD 1 30 LYS HG3 . . 2.650 2.368 2.160 2.532 . 0 0 "[ . 1 . 2]" 1
653 1 30 LYS HA 1 31 THR MG . . 4.200 4.222 4.097 4.278 0.078 4 0 "[ . 1 . 2]" 1
654 1 30 LYS H 1 31 THR H . . 5.500 4.612 4.506 4.630 . 0 0 "[ . 1 . 2]" 1
655 1 30 LYS HG3 1 31 THR H . . 5.340 4.336 2.154 5.356 0.016 3 0 "[ . 1 . 2]" 1
656 1 30 LYS HB2 1 31 THR H . . 4.930 3.868 2.880 4.391 . 0 0 "[ . 1 . 2]" 1
657 1 30 LYS HG2 1 31 THR H . . 4.640 4.083 2.652 4.613 . 0 0 "[ . 1 . 2]" 1
658 1 30 LYS HB3 1 31 THR H . . 4.420 3.433 2.908 4.338 . 0 0 "[ . 1 . 2]" 1
659 1 30 LYS HA 1 31 THR H . . 2.580 2.214 2.141 2.241 . 0 0 "[ . 1 . 2]" 1
660 1 31 THR H 1 31 THR MG . . 4.600 3.044 2.761 3.117 . 0 0 "[ . 1 . 2]" 1
661 1 31 THR H 1 31 THR HB . . 3.570 3.552 3.535 3.592 0.022 3 0 "[ . 1 . 2]" 1
662 1 31 THR HA 1 31 THR HB . . 2.920 2.635 2.587 2.652 . 0 0 "[ . 1 . 2]" 1
663 1 31 THR HA 1 31 THR MG . . 2.660 2.035 2.017 2.101 . 0 0 "[ . 1 . 2]" 1
664 1 31 THR H 1 32 VAL H . . 5.500 4.586 4.576 4.613 . 0 0 "[ . 1 . 2]" 1
665 1 31 THR HB 1 32 VAL MG2 . . 5.500 4.504 4.328 4.713 . 0 0 "[ . 1 . 2]" 1
666 1 31 THR H 1 32 VAL HA . . 5.500 5.254 5.205 5.405 . 0 0 "[ . 1 . 2]" 1
667 1 31 THR HA 1 32 VAL HA . . 5.500 4.452 4.421 4.473 . 0 0 "[ . 1 . 2]" 1
668 1 31 THR HB 1 32 VAL HA . . 5.500 4.167 4.119 4.242 . 0 0 "[ . 1 . 2]" 1
669 1 31 THR MG 1 32 VAL HA . . 5.390 5.283 5.251 5.353 . 0 0 "[ . 1 . 2]" 1
670 1 31 THR HB 1 32 VAL H . . 4.600 2.610 2.397 2.856 . 0 0 "[ . 1 . 2]" 1
671 1 31 THR HA 1 32 VAL MG2 . . 4.590 3.891 3.849 3.970 . 0 0 "[ . 1 . 2]" 1
672 1 31 THR MG 1 32 VAL H . . 4.240 3.339 3.290 3.449 . 0 0 "[ . 1 . 2]" 1
673 1 31 THR HA 1 32 VAL MG1 . . 3.550 3.388 3.246 3.507 . 0 0 "[ . 1 . 2]" 1
674 1 31 THR HA 1 32 VAL H . . 2.870 2.338 2.257 2.411 . 0 0 "[ . 1 . 2]" 1
675 1 32 VAL H 1 32 VAL MG2 . . 4.250 2.197 2.161 2.228 . 0 0 "[ . 1 . 2]" 1
676 1 32 VAL H 1 32 VAL MG1 . . 4.140 2.876 2.780 2.964 . 0 0 "[ . 1 . 2]" 1
677 1 32 VAL H 1 32 VAL HB . . 3.800 3.877 3.842 3.899 0.099 17 0 "[ . 1 . 2]" 1
678 1 32 VAL HA 1 32 VAL MG1 . . 3.710 2.356 2.327 2.447 . 0 0 "[ . 1 . 2]" 1
679 1 32 VAL H 1 33 ILE H . . 5.500 4.434 4.416 4.460 . 0 0 "[ . 1 . 2]" 1
680 1 32 VAL H 1 33 ILE HA . . 5.500 5.026 4.979 5.097 . 0 0 "[ . 1 . 2]" 1
681 1 32 VAL HA 1 33 ILE HB . . 5.500 4.931 4.589 5.021 . 0 0 "[ . 1 . 2]" 1
682 1 32 VAL HB 1 33 ILE H . . 4.360 2.648 2.498 2.810 . 0 0 "[ . 1 . 2]" 1
683 1 32 VAL MG1 1 33 ILE H . . 4.000 3.863 3.809 3.941 . 0 0 "[ . 1 . 2]" 1
684 1 32 VAL MG2 1 33 ILE H . . 3.500 3.473 3.350 3.544 0.044 20 0 "[ . 1 . 2]" 1
685 1 32 VAL HA 1 33 ILE H . . 2.850 2.307 2.253 2.366 . 0 0 "[ . 1 . 2]" 1
686 1 32 VAL MG2 1 34 PRO HA . . 3.740 3.700 3.575 3.740 . 19 0 "[ . 1 . 2]" 1
687 1 33 ILE H 1 33 ILE HG13 . . 4.980 3.524 3.472 3.587 . 0 0 "[ . 1 . 2]" 1
688 1 33 ILE H 1 33 ILE MD . . 4.850 2.914 1.987 3.195 . 0 0 "[ . 1 . 2]" 1
689 1 33 ILE H 1 33 ILE MG . . 4.510 3.759 3.713 3.765 . 0 0 "[ . 1 . 2]" 1
690 1 33 ILE H 1 33 ILE HG12 . . 4.200 2.064 1.925 3.907 . 0 0 "[ . 1 . 2]" 1
691 1 33 ILE H 1 33 ILE HB . . 4.160 2.626 2.346 2.684 . 0 0 "[ . 1 . 2]" 1
692 1 33 ILE HA 1 33 ILE HG13 . . 3.910 3.677 2.301 3.773 . 0 0 "[ . 1 . 2]" 1
693 1 33 ILE HA 1 33 ILE HG12 . . 3.900 3.207 3.037 3.583 . 0 0 "[ . 1 . 2]" 1
694 1 33 ILE HG13 1 33 ILE MG . . 3.670 2.297 2.226 2.534 . 0 0 "[ . 1 . 2]" 1
695 1 33 ILE HA 1 33 ILE MG . . 3.370 2.276 2.205 2.483 . 0 0 "[ . 1 . 2]" 1
696 1 33 ILE HA 1 33 ILE MD . . 4.200 2.015 1.948 2.769 . 0 0 "[ . 1 . 2]" 1
697 1 33 ILE H 1 34 PRO HD3 . . 5.500 4.521 4.505 4.535 . 0 0 "[ . 1 . 2]" 1
698 1 33 ILE HG12 1 34 PRO HD2 . . 5.500 5.010 4.797 5.110 . 0 0 "[ . 1 . 2]" 1
699 1 33 ILE H 1 34 PRO HD2 . . 5.500 4.697 4.684 4.708 . 0 0 "[ . 1 . 2]" 1
700 1 33 ILE HB 1 34 PRO HD2 . . 5.500 4.404 4.368 4.518 . 0 0 "[ . 1 . 2]" 1
701 1 33 ILE HB 1 34 PRO HD3 . . 5.500 5.068 5.051 5.131 . 0 0 "[ . 1 . 2]" 1
702 1 33 ILE MG 1 34 PRO HA . . 4.500 4.363 4.095 4.439 . 0 0 "[ . 1 . 2]" 1
703 1 33 ILE MG 1 34 PRO HD3 . . 3.800 3.696 3.642 3.803 0.003 20 0 "[ . 1 . 2]" 1
704 1 33 ILE HA 1 34 PRO HD3 . . 3.800 2.378 2.373 2.384 . 0 0 "[ . 1 . 2]" 1
705 1 33 ILE HA 1 34 PRO HD2 . . 3.800 1.937 1.934 1.941 . 0 0 "[ . 1 . 2]" 1
706 1 33 ILE MG 1 34 PRO HD2 . . 3.040 2.348 2.247 2.544 . 0 0 "[ . 1 . 2]" 1
707 1 34 PRO HD2 1 35 LYS H . . 5.500 4.169 2.662 5.509 0.009 17 0 "[ . 1 . 2]" 1
708 1 34 PRO HG2 1 35 LYS H . . 5.500 3.761 1.928 5.045 . 0 0 "[ . 1 . 2]" 1
709 1 34 PRO HD3 1 35 LYS H . . 5.500 4.716 3.848 5.515 0.015 17 0 "[ . 1 . 2]" 1
710 1 34 PRO HA 1 35 LYS H . . 3.500 2.834 2.156 3.570 0.070 14 0 "[ . 1 . 2]" 1
711 1 35 LYS H 1 35 LYS HG3 . . 5.370 3.630 2.420 4.674 . 0 0 "[ . 1 . 2]" 1
712 1 35 LYS H 1 35 LYS HG2 . . 4.710 3.932 2.049 4.774 0.064 14 0 "[ . 1 . 2]" 1
713 1 35 LYS H 1 35 LYS QE . . 4.340 4.105 3.147 4.348 0.008 14 0 "[ . 1 . 2]" 1
714 1 35 LYS H 1 35 LYS HB2 . . 4.120 2.589 2.087 3.864 . 0 0 "[ . 1 . 2]" 1
715 1 35 LYS HA 1 35 LYS HG3 . . 4.120 2.859 2.102 4.060 . 0 0 "[ . 1 . 2]" 1
716 1 35 LYS H 1 35 LYS HB3 . . 4.110 3.341 2.413 3.855 . 0 0 "[ . 1 . 2]" 1
717 1 35 LYS HA 1 35 LYS QD . . 4.500 3.810 2.802 4.261 . 0 0 "[ . 1 . 2]" 1
718 1 35 LYS HA 1 35 LYS HG2 . . 3.770 2.893 2.370 3.686 . 0 0 "[ . 1 . 2]" 1
719 1 35 LYS HB2 1 35 LYS HG3 . . 3.000 2.504 2.209 2.983 . 0 0 "[ . 1 . 2]" 1
720 1 35 LYS HB2 1 35 LYS HG2 . . 3.000 2.910 2.597 3.012 0.012 9 0 "[ . 1 . 2]" 1
721 1 35 LYS HB3 1 35 LYS HG2 . . 3.000 2.476 2.224 2.982 . 0 0 "[ . 1 . 2]" 1
722 1 35 LYS HA 1 35 LYS HB3 . . 2.870 2.682 2.361 3.025 0.155 1 0 "[ . 1 . 2]" 1
723 1 35 LYS HA 1 35 LYS HB2 . . 2.830 2.833 2.371 3.013 0.183 17 0 "[ . 1 . 2]" 1
724 1 35 LYS H 1 35 LYS QD . . 5.000 4.124 2.373 4.987 . 0 0 "[ . 1 . 2]" 1
725 1 35 LYS H 1 36 PRO HD2 . . 5.500 4.493 4.012 4.814 . 0 0 "[ . 1 . 2]" 1
726 1 35 LYS H 1 36 PRO HD3 . . 5.500 4.386 3.249 5.087 . 0 0 "[ . 1 . 2]" 1
727 1 35 LYS HG3 1 36 PRO HD2 . . 5.500 3.843 2.101 5.334 . 0 0 "[ . 1 . 2]" 1
728 1 35 LYS HG2 1 36 PRO HD2 . . 5.500 3.497 1.987 5.456 . 0 0 "[ . 1 . 2]" 1
729 1 35 LYS HG3 1 36 PRO HD3 . . 5.300 4.587 2.918 5.304 0.004 1 0 "[ . 1 . 2]" 1
730 1 35 LYS HG2 1 36 PRO HD3 . . 5.300 4.473 3.014 5.306 0.006 1 0 "[ . 1 . 2]" 1
731 1 35 LYS HB3 1 36 PRO HD3 . . 5.500 4.247 3.432 5.020 . 0 0 "[ . 1 . 2]" 1
732 1 35 LYS HA 1 36 PRO QG . . 4.120 3.990 3.890 4.074 . 0 0 "[ . 1 . 2]" 1
733 1 35 LYS HB2 1 36 PRO HD3 . . 5.000 4.686 3.389 5.020 0.020 4 0 "[ . 1 . 2]" 1
734 1 35 LYS HA 1 36 PRO HD3 . . 3.620 2.548 2.300 2.871 . 0 0 "[ . 1 . 2]" 1
735 1 35 LYS HA 1 36 PRO HD2 . . 3.320 2.307 2.044 2.511 . 0 0 "[ . 1 . 2]" 1
736 1 36 PRO HB2 1 37 PRO HD2 . . 4.400 2.085 2.077 2.141 . 0 0 "[ . 1 . 2]" 1
737 1 36 PRO HB2 1 37 PRO HD3 . . 4.350 3.522 3.515 3.570 . 0 0 "[ . 1 . 2]" 1
738 1 36 PRO HA 1 37 PRO QG . . 4.130 4.091 4.074 4.094 . 0 0 "[ . 1 . 2]" 1
739 1 36 PRO HB3 1 37 PRO HD3 . . 3.960 3.777 3.772 3.808 . 0 0 "[ . 1 . 2]" 1
740 1 36 PRO HA 1 37 PRO HD2 . . 3.960 2.532 2.506 2.535 . 0 0 "[ . 1 . 2]" 1
741 1 36 PRO HA 1 37 PRO HD3 . . 3.540 2.366 2.352 2.368 . 0 0 "[ . 1 . 2]" 1
742 1 36 PRO HB3 1 37 PRO HD2 . . 3.040 2.728 2.723 2.754 . 0 0 "[ . 1 . 2]" 1
743 1 37 PRO HD2 1 38 LYS H . . 5.500 4.914 2.674 5.574 0.074 10 0 "[ . 1 . 2]" 1
744 1 37 PRO QG 1 38 LYS H . . 4.980 3.683 2.058 4.682 . 0 0 "[ . 1 . 2]" 1
745 1 37 PRO HB3 1 38 LYS H . . 4.000 3.574 3.206 4.046 0.046 13 0 "[ . 1 . 2]" 1
746 1 37 PRO HB2 1 38 LYS H . . 3.890 2.676 2.068 3.600 . 0 0 "[ . 1 . 2]" 1
747 1 37 PRO HA 1 38 LYS H . . 3.500 2.680 2.150 3.560 0.060 15 0 "[ . 1 . 2]" 1
748 1 38 LYS H 1 38 LYS QD . . 5.500 3.593 1.956 5.006 . 0 0 "[ . 1 . 2]" 1
749 1 38 LYS H 1 38 LYS HG2 . . 5.000 3.878 2.020 5.034 0.034 7 0 "[ . 1 . 2]" 1
750 1 38 LYS HA 1 38 LYS HG2 . . 4.200 3.277 2.117 3.824 . 0 0 "[ . 1 . 2]" 1
751 1 38 LYS QB 1 38 LYS QE . . 3.690 3.113 1.986 3.654 . 0 0 "[ . 1 . 2]" 1
752 1 38 LYS H 1 38 LYS HG3 . . 5.000 3.844 2.040 5.005 0.005 14 0 "[ . 1 . 2]" 1
753 1 38 LYS H 1 38 LYS QB . . 3.200 2.502 2.127 3.202 0.002 20 0 "[ . 1 . 2]" 1
754 1 38 LYS H 1 38 LYS HA . . 2.900 2.840 2.278 2.938 0.038 8 0 "[ . 1 . 2]" 1
755 1 38 LYS QB 1 38 LYS HG2 . . 2.800 2.263 2.134 2.505 . 0 0 "[ . 1 . 2]" 1
756 1 38 LYS QB 1 38 LYS HG3 . . 2.800 2.352 2.133 2.502 . 0 0 "[ . 1 . 2]" 1
757 1 38 LYS HA 1 38 LYS QB . . 2.800 2.380 2.178 2.514 . 0 0 "[ . 1 . 2]" 1
758 1 38 LYS HG2 1 39 PHE H . . 5.500 4.099 1.951 5.415 . 0 0 "[ . 1 . 2]" 1
759 1 38 LYS QB 1 39 PHE QD . . 5.220 4.468 2.104 5.164 . 0 0 "[ . 1 . 2]" 1
760 1 38 LYS HG3 1 39 PHE H . . 4.670 3.762 1.963 4.683 0.013 11 0 "[ . 1 . 2]" 1
761 1 38 LYS QD 1 39 PHE H . . 4.500 3.899 2.524 4.541 0.041 11 0 "[ . 1 . 2]" 1
762 1 38 LYS QB 1 39 PHE H . . 4.200 3.030 2.153 3.959 . 0 0 "[ . 1 . 2]" 1
763 1 38 LYS HA 1 39 PHE H . . 3.500 2.669 2.141 3.549 0.049 11 0 "[ . 1 . 2]" 1
764 1 38 LYS HA 1 40 SER H . . 5.500 4.896 3.312 5.514 0.014 6 0 "[ . 1 . 2]" 1
765 1 39 PHE H 1 39 PHE QD . . 4.800 3.074 1.991 4.445 . 0 0 "[ . 1 . 2]" 1
766 1 39 PHE HA 1 39 PHE HB3 . . 3.010 2.636 2.332 3.020 0.010 15 0 "[ . 1 . 2]" 1
767 1 39 PHE QD 1 40 SER H . . 5.500 4.259 3.099 4.794 . 0 0 "[ . 1 . 2]" 1
768 1 39 PHE HB2 1 40 SER H . . 4.680 4.000 1.962 4.605 . 0 0 "[ . 1 . 2]" 1
769 1 39 PHE HB3 1 40 SER H . . 4.680 3.956 2.925 4.596 . 0 0 "[ . 1 . 2]" 1
770 1 39 PHE HA 1 40 SER H . . 3.500 2.614 2.143 3.566 0.066 10 0 "[ . 1 . 2]" 1
771 1 40 SER H 1 40 SER HB3 . . 4.000 3.452 2.292 3.994 . 0 0 "[ . 1 . 2]" 1
772 1 40 SER H 1 40 SER HB2 . . 4.000 2.920 2.199 3.952 . 0 0 "[ . 1 . 2]" 1
773 1 40 SER HA 1 40 SER HB3 . . 3.000 2.628 2.310 3.005 0.005 11 0 "[ . 1 . 2]" 1
774 1 40 SER HA 1 40 SER HB2 . . 3.000 2.828 2.323 3.003 0.003 15 0 "[ . 1 . 2]" 1
775 1 40 SER HB2 1 41 LEU H . . 4.800 3.660 2.768 4.444 . 0 0 "[ . 1 . 2]" 1
776 1 40 SER HB3 1 41 LEU H . . 4.800 3.149 2.331 4.565 . 0 0 "[ . 1 . 2]" 1
777 1 40 SER HA 1 41 LEU H . . 3.520 2.568 2.139 3.539 0.019 11 0 "[ . 1 . 2]" 1
778 1 40 SER HB2 1 42 GLU H . . 5.480 4.131 2.420 5.490 0.010 11 0 "[ . 1 . 2]" 1
779 1 40 SER HB3 1 42 GLU H . . 5.190 3.665 2.365 5.190 0.000 20 0 "[ . 1 . 2]" 1
780 1 40 SER H 1 43 ASP QB . . 4.800 4.414 2.696 4.803 0.003 10 0 "[ . 1 . 2]" 1
781 1 41 LEU H 1 41 LEU HG . . 4.800 3.615 1.965 4.610 . 0 0 "[ . 1 . 2]" 1
782 1 41 LEU HA 1 41 LEU MD2 . . 4.800 2.946 2.083 3.890 . 0 0 "[ . 1 . 2]" 1
783 1 41 LEU H 1 41 LEU MD1 . . 5.200 3.737 2.274 4.492 . 0 0 "[ . 1 . 2]" 1
784 1 41 LEU H 1 41 LEU MD2 . . 5.200 3.519 1.994 4.988 . 0 0 "[ . 1 . 2]" 1
785 1 41 LEU H 1 41 LEU HB2 . . 3.820 2.466 2.161 3.570 . 0 0 "[ . 1 . 2]" 1
786 1 41 LEU HB3 1 41 LEU MD1 . . 3.510 2.659 2.267 3.192 . 0 0 "[ . 1 . 2]" 1
787 1 41 LEU HB2 1 41 LEU MD1 . . 3.600 2.380 2.072 3.189 . 0 0 "[ . 1 . 2]" 1
788 1 41 LEU HB3 1 41 LEU MD2 . . 3.600 2.376 2.019 3.195 . 0 0 "[ . 1 . 2]" 1
789 1 41 LEU HA 1 41 LEU HB3 . . 3.000 2.715 2.366 3.016 0.016 16 0 "[ . 1 . 2]" 1
790 1 41 LEU HA 1 41 LEU HB2 . . 3.000 2.805 2.380 3.012 0.012 6 0 "[ . 1 . 2]" 1
791 1 41 LEU H 1 41 LEU HB3 . . 4.000 3.231 2.383 3.807 . 0 0 "[ . 1 . 2]" 1
792 1 41 LEU MD2 1 42 GLU H . . 5.500 4.413 2.501 5.392 . 0 0 "[ . 1 . 2]" 1
793 1 41 LEU HB2 1 42 GLU H . . 4.500 3.366 2.592 4.502 0.002 9 0 "[ . 1 . 2]" 1
794 1 41 LEU HB3 1 42 GLU H . . 4.200 3.494 2.831 4.156 . 0 0 "[ . 1 . 2]" 1
795 1 41 LEU HA 1 42 GLU H . . 3.500 3.447 2.834 3.534 0.034 1 0 "[ . 1 . 2]" 1
796 1 42 GLU H 1 42 GLU QG . . 5.020 2.904 2.024 4.156 . 0 0 "[ . 1 . 2]" 1
797 1 42 GLU H 1 42 GLU HB3 . . 4.000 3.380 2.435 3.940 . 0 0 "[ . 1 . 2]" 1
798 1 42 GLU H 1 42 GLU HB2 . . 4.000 2.944 2.189 3.890 . 0 0 "[ . 1 . 2]" 1
799 1 42 GLU HA 1 42 GLU QG . . 3.500 2.728 2.096 3.454 . 0 0 "[ . 1 . 2]" 1
800 1 42 GLU HA 1 42 GLU HB3 . . 3.000 2.597 2.350 3.017 0.017 10 0 "[ . 1 . 2]" 1
801 1 42 GLU HA 1 42 GLU HB2 . . 3.000 2.756 2.389 3.024 0.024 8 0 "[ . 1 . 2]" 1
802 1 42 GLU QG 1 43 ASP H . . 4.450 4.076 1.944 4.534 0.084 9 0 "[ . 1 . 2]" 1
803 1 42 GLU HB3 1 43 ASP H . . 4.500 3.780 2.845 4.421 . 0 0 "[ . 1 . 2]" 1
804 1 42 GLU HB2 1 43 ASP H . . 4.300 3.507 2.844 4.390 0.090 9 0 "[ . 1 . 2]" 1
805 1 42 GLU HA 1 43 ASP H . . 3.500 2.989 2.138 3.518 0.018 1 0 "[ . 1 . 2]" 1
806 1 43 ASP H 1 43 ASP QB . . 2.960 2.569 2.109 2.974 0.014 5 0 "[ . 1 . 2]" 1
807 1 43 ASP QB 1 44 ARG HA . . 4.640 4.599 4.422 4.660 0.020 5 0 "[ . 1 . 2]" 1
808 1 43 ASP QB 1 44 ARG H . . 4.060 3.245 2.271 3.995 . 0 0 "[ . 1 . 2]" 1
809 1 43 ASP HA 1 44 ARG H . . 3.500 2.335 2.139 3.021 . 0 0 "[ . 1 . 2]" 1
810 1 44 ARG H 1 44 ARG HG2 . . 5.360 3.492 1.948 4.619 . 0 0 "[ . 1 . 2]" 1
811 1 44 ARG HB3 1 44 ARG HE . . 4.500 3.854 2.509 4.500 . 5 0 "[ . 1 . 2]" 1
812 1 44 ARG H 1 44 ARG HG3 . . 4.800 3.613 2.091 4.562 . 0 0 "[ . 1 . 2]" 1
813 1 44 ARG HA 1 44 ARG HG2 . . 4.200 2.952 2.196 3.832 . 0 0 "[ . 1 . 2]" 1
814 1 44 ARG HA 1 44 ARG HG3 . . 4.200 3.265 2.324 3.879 . 0 0 "[ . 1 . 2]" 1
815 1 44 ARG HB2 1 44 ARG QD . . 3.680 2.719 2.201 3.372 . 0 0 "[ . 1 . 2]" 1
816 1 44 ARG H 1 44 ARG HB3 . . 3.700 2.991 2.447 3.600 . 0 0 "[ . 1 . 2]" 1
817 1 44 ARG H 1 44 ARG HB2 . . 3.700 2.620 2.213 3.591 . 0 0 "[ . 1 . 2]" 1
818 1 44 ARG HB3 1 44 ARG HG3 . . 3.000 2.825 2.462 3.011 0.011 11 0 "[ . 1 . 2]" 1
819 1 44 ARG HB3 1 44 ARG HG2 . . 3.000 2.601 2.308 2.995 . 0 0 "[ . 1 . 2]" 1
820 1 44 ARG HB2 1 44 ARG HG2 . . 3.000 2.827 2.451 3.012 0.012 11 0 "[ . 1 . 2]" 1
821 1 44 ARG H 1 44 ARG HA . . 2.800 2.806 2.759 2.857 0.057 5 0 "[ . 1 . 2]" 1
822 1 44 ARG HA 1 44 ARG HB3 . . 3.000 2.724 2.407 3.023 0.023 16 0 "[ . 1 . 2]" 1
823 1 44 ARG QD 1 45 TRP HE1 . . 5.300 4.749 2.764 5.299 . 0 0 "[ . 1 . 2]" 1
824 1 45 TRP HB3 1 45 TRP HE3 . . 4.200 2.877 2.411 4.014 . 0 0 "[ . 1 . 2]" 1
825 1 45 TRP HB2 1 46 GLY H . . 5.020 3.661 3.023 4.554 . 0 0 "[ . 1 . 2]" 1
826 1 45 TRP HB3 1 46 GLY H . . 4.860 4.074 3.093 4.502 . 0 0 "[ . 1 . 2]" 1
827 1 45 TRP HA 1 46 GLY H . . 3.500 3.229 3.045 3.456 . 0 0 "[ . 1 . 2]" 1
828 1 45 TRP HD1 1 48 TYR HB2 . . 5.500 5.120 4.488 5.504 0.004 3 0 "[ . 1 . 2]" 1
829 1 45 TRP HD1 1 48 TYR HB3 . . 5.500 5.257 4.488 5.503 0.003 16 0 "[ . 1 . 2]" 1
830 1 45 TRP HE3 1 48 TYR HB2 . . 5.500 3.268 1.999 5.446 . 0 0 "[ . 1 . 2]" 1
831 1 45 TRP HE3 1 48 TYR HB3 . . 5.500 3.599 2.164 4.774 . 0 0 "[ . 1 . 2]" 1
832 1 45 TRP HA 1 48 TYR HB3 . . 5.500 4.082 2.531 5.065 . 0 0 "[ . 1 . 2]" 1
833 1 45 TRP HA 1 48 TYR HB2 . . 5.500 3.689 2.569 4.737 . 0 0 "[ . 1 . 2]" 1
834 1 45 TRP HE3 1 48 TYR QD . . 5.000 3.155 2.209 4.642 . 0 0 "[ . 1 . 2]" 1
835 1 46 GLY H 1 46 GLY HA2 . . 2.800 2.589 2.298 2.811 0.011 8 0 "[ . 1 . 2]" 1
836 1 46 GLY H 1 46 GLY HA3 . . 2.800 2.514 2.294 2.846 0.046 12 0 "[ . 1 . 2]" 1
837 1 46 GLY HA2 1 47 LYS H . . 3.500 3.501 3.485 3.514 0.014 5 0 "[ . 1 . 2]" 1
838 1 46 GLY HA3 1 47 LYS H . . 3.500 2.655 2.272 2.974 . 0 0 "[ . 1 . 2]" 1
839 1 46 GLY HA3 1 48 TYR H . . 4.820 4.366 4.017 4.690 . 0 0 "[ . 1 . 2]" 1
840 1 46 GLY HA2 1 49 ARG QB . . 5.500 3.670 2.669 4.243 . 0 0 "[ . 1 . 2]" 1
841 1 46 GLY HA3 1 49 ARG QB . . 5.270 4.860 4.018 5.272 0.002 10 0 "[ . 1 . 2]" 1
842 1 46 GLY HA3 1 49 ARG H . . 5.240 4.864 4.263 5.244 0.004 3 0 "[ . 1 . 2]" 1
843 1 47 LYS H 1 47 LYS QD . . 4.120 3.741 2.319 4.100 . 0 0 "[ . 1 . 2]" 1
844 1 47 LYS QB 1 47 LYS QE . . 3.720 2.769 1.987 3.648 . 0 0 "[ . 1 . 2]" 1
845 1 47 LYS QE 1 47 LYS HG2 . . 3.700 2.818 2.203 3.479 . 0 0 "[ . 1 . 2]" 1
846 1 47 LYS H 1 47 LYS HG2 . . 4.000 2.777 1.961 4.004 0.004 5 0 "[ . 1 . 2]" 1
847 1 47 LYS H 1 47 LYS HG3 . . 4.000 3.014 2.284 3.886 . 0 0 "[ . 1 . 2]" 1
848 1 47 LYS HA 1 47 LYS HG3 . . 3.800 3.413 2.371 3.800 0.000 20 0 "[ . 1 . 2]" 1
849 1 47 LYS HA 1 47 LYS HG2 . . 3.800 3.219 2.410 3.788 . 0 0 "[ . 1 . 2]" 1
850 1 47 LYS H 1 47 LYS QB . . 3.000 2.467 2.184 2.694 . 0 0 "[ . 1 . 2]" 1
851 1 47 LYS H 1 47 LYS HA . . 2.900 2.830 2.756 2.906 0.006 18 0 "[ . 1 . 2]" 1
852 1 47 LYS HA 1 47 LYS QB . . 2.700 2.294 2.174 2.496 . 0 0 "[ . 1 . 2]" 1
853 1 47 LYS QD 1 47 LYS HG2 . . 2.540 2.281 2.154 2.475 . 0 0 "[ . 1 . 2]" 1
854 1 47 LYS HA 1 48 TYR H . . 3.500 3.478 3.418 3.498 . 0 0 "[ . 1 . 2]" 1
855 1 47 LYS QB 1 48 TYR H . . 5.100 3.159 2.778 3.600 . 0 0 "[ . 1 . 2]" 1
856 1 47 LYS QB 1 48 TYR HA . . 4.820 4.129 3.871 4.564 . 0 0 "[ . 1 . 2]" 1
857 1 48 TYR HA 1 48 TYR QE . . 5.500 4.636 4.471 4.793 . 0 0 "[ . 1 . 2]" 1
858 1 48 TYR H 1 48 TYR QD . . 4.330 4.145 4.019 4.204 . 0 0 "[ . 1 . 2]" 1
859 1 48 TYR H 1 48 TYR HB3 . . 3.200 2.665 2.438 2.874 . 0 0 "[ . 1 . 2]" 1
860 1 48 TYR H 1 48 TYR HB2 . . 3.000 2.422 2.235 2.622 . 0 0 "[ . 1 . 2]" 1
861 1 48 TYR HB3 1 49 ARG H . . 5.500 2.906 2.764 3.015 . 0 0 "[ . 1 . 2]" 1
862 1 48 TYR QD 1 49 ARG H . . 5.500 3.928 3.454 4.377 . 0 0 "[ . 1 . 2]" 1
863 1 48 TYR HB2 1 49 ARG H . . 4.820 3.945 3.654 4.124 . 0 0 "[ . 1 . 2]" 1
864 1 48 TYR H 1 49 ARG QB . . 4.800 4.449 4.099 4.729 . 0 0 "[ . 1 . 2]" 1
865 1 48 TYR HA 1 49 ARG H . . 3.500 3.482 3.453 3.516 0.016 7 0 "[ . 1 . 2]" 1
866 1 48 TYR HA 1 51 MET H . . 5.200 3.435 3.036 3.777 . 0 0 "[ . 1 . 2]" 1
867 1 48 TYR QD 1 52 LEU MD1 . . 5.500 3.607 1.921 5.464 . 0 0 "[ . 1 . 2]" 1
868 1 48 TYR QE 1 52 LEU HB3 . . 5.500 5.128 3.578 5.500 . 0 0 "[ . 1 . 2]" 1
869 1 48 TYR QD 1 52 LEU HB2 . . 5.500 3.276 2.464 4.062 . 0 0 "[ . 1 . 2]" 1
870 1 48 TYR QD 1 52 LEU HB3 . . 5.500 4.691 3.238 5.500 0.000 8 0 "[ . 1 . 2]" 1
871 1 48 TYR QE 1 52 LEU MD1 . . 5.450 3.425 1.992 4.783 . 0 0 "[ . 1 . 2]" 1
872 1 48 TYR QE 1 52 LEU MD2 . . 5.000 4.042 1.942 5.026 0.026 16 0 "[ . 1 . 2]" 1
873 1 49 ARG H 1 49 ARG HG3 . . 5.170 4.088 2.541 4.610 . 0 0 "[ . 1 . 2]" 1
874 1 49 ARG H 1 49 ARG HG2 . . 4.650 4.122 2.478 4.639 . 0 0 "[ . 1 . 2]" 1
875 1 49 ARG HA 1 49 ARG HG2 . . 4.200 3.421 2.235 4.229 0.029 15 0 "[ . 1 . 2]" 1
876 1 49 ARG HA 1 49 ARG HG3 . . 4.200 2.841 2.195 3.688 . 0 0 "[ . 1 . 2]" 1
877 1 49 ARG H 1 49 ARG QB . . 3.360 2.240 2.121 2.352 . 0 0 "[ . 1 . 2]" 1
878 1 49 ARG QB 1 49 ARG QD . . 2.870 2.134 1.934 2.548 . 0 0 "[ . 1 . 2]" 1
879 1 49 ARG H 1 49 ARG HA . . 2.800 2.775 2.758 2.813 0.013 7 0 "[ . 1 . 2]" 1
880 1 49 ARG QD 1 49 ARG HG3 . . 2.790 2.308 2.146 2.488 . 0 0 "[ . 1 . 2]" 1
881 1 49 ARG HA 1 49 ARG QB . . 2.680 2.353 2.176 2.492 . 0 0 "[ . 1 . 2]" 1
882 1 49 ARG QB 1 49 ARG HG3 . . 2.640 2.399 2.130 2.497 . 0 0 "[ . 1 . 2]" 1
883 1 49 ARG HG3 1 50 ARG H . . 4.800 4.201 1.984 4.803 0.003 13 0 "[ . 1 . 2]" 1
884 1 49 ARG HA 1 50 ARG H . . 3.500 3.511 3.457 3.570 0.070 17 0 "[ . 1 . 2]" 1
885 1 49 ARG HG2 1 50 ARG H . . 4.800 4.160 2.506 4.790 . 0 0 "[ . 1 . 2]" 1
886 1 49 ARG QB 1 50 ARG H . . 3.500 2.783 2.189 3.515 0.015 15 0 "[ . 1 . 2]" 1
887 1 49 ARG QD 1 52 LEU MD1 . . 5.500 4.693 3.002 5.505 0.005 15 0 "[ . 1 . 2]" 1
888 1 49 ARG HA 1 52 LEU H . . 5.500 3.373 2.948 4.170 . 0 0 "[ . 1 . 2]" 1
889 1 49 ARG HA 1 52 LEU HB2 . . 4.770 2.548 2.000 4.169 . 0 0 "[ . 1 . 2]" 1
890 1 49 ARG HA 1 52 LEU MD1 . . 4.410 3.441 2.196 4.418 0.008 13 0 "[ . 1 . 2]" 1
891 1 49 ARG HA 1 52 LEU HB3 . . 4.770 3.014 1.998 3.974 . 0 0 "[ . 1 . 2]" 1
892 1 50 ARG HB2 1 50 ARG QD . . 3.620 2.772 1.970 3.489 . 0 0 "[ . 1 . 2]" 1
893 1 50 ARG H 1 50 ARG QG . . 4.200 3.085 1.920 4.016 . 0 0 "[ . 1 . 2]" 1
894 1 50 ARG H 1 50 ARG HB2 . . 3.500 2.283 2.077 3.578 0.078 11 0 "[ . 1 . 2]" 1
895 1 50 ARG HB3 1 50 ARG QD . . 3.210 2.478 2.099 3.213 0.003 12 0 "[ . 1 . 2]" 1
896 1 50 ARG HA 1 50 ARG HB3 . . 3.000 2.743 2.352 3.006 0.006 15 0 "[ . 1 . 2]" 1
897 1 50 ARG HA 1 50 ARG HB2 . . 3.000 2.858 2.557 3.019 0.019 9 0 "[ . 1 . 2]" 1
898 1 50 ARG H 1 50 ARG HA . . 2.800 2.796 2.757 2.902 0.102 16 0 "[ . 1 . 2]" 1
899 1 50 ARG H 1 50 ARG HB3 . . 3.500 3.288 2.706 3.579 0.079 9 0 "[ . 1 . 2]" 1
900 1 50 ARG HA 1 51 MET ME . . 5.500 5.164 4.494 5.488 . 0 0 "[ . 1 . 2]" 1
901 1 50 ARG HB3 1 51 MET H . . 4.240 3.245 1.950 4.105 . 0 0 "[ . 1 . 2]" 1
902 1 50 ARG HA 1 51 MET H . . 3.500 3.511 3.445 3.568 0.068 15 0 "[ . 1 . 2]" 1
903 1 50 ARG HB2 1 51 MET H . . 3.500 3.188 2.951 3.512 0.012 16 0 "[ . 1 . 2]" 1
904 1 50 ARG HB2 1 52 LEU H . . 5.500 5.146 4.957 5.501 0.001 13 0 "[ . 1 . 2]" 1
905 1 50 ARG HB3 1 52 LEU H . . 5.500 5.112 4.355 5.506 0.006 11 0 "[ . 1 . 2]" 1
906 1 51 MET H 1 51 MET HG2 . . 4.800 3.699 2.225 4.809 0.009 13 0 "[ . 1 . 2]" 1
907 1 51 MET H 1 51 MET HG3 . . 4.800 3.996 3.220 4.532 . 0 0 "[ . 1 . 2]" 1
908 1 51 MET H 1 51 MET HB2 . . 4.200 2.380 2.186 2.742 . 0 0 "[ . 1 . 2]" 1
909 1 51 MET H 1 51 MET HB3 . . 4.000 3.352 2.755 3.693 . 0 0 "[ . 1 . 2]" 1
910 1 51 MET HA 1 51 MET ME . . 5.500 2.756 1.959 4.154 . 0 0 "[ . 1 . 2]" 1
911 1 51 MET HB2 1 51 MET HG2 . . 3.000 2.622 2.470 2.989 . 0 0 "[ . 1 . 2]" 1
912 1 51 MET HB2 1 51 MET HG3 . . 3.000 2.604 2.294 2.994 . 0 0 "[ . 1 . 2]" 1
913 1 51 MET HA 1 51 MET HB3 . . 3.000 2.710 2.431 3.006 0.006 13 0 "[ . 1 . 2]" 1
914 1 51 MET HA 1 51 MET HB2 . . 3.000 2.887 2.579 3.023 0.023 16 0 "[ . 1 . 2]" 1
915 1 51 MET H 1 51 MET HA . . 2.920 2.897 2.771 2.947 0.027 1 0 "[ . 1 . 2]" 1
916 1 51 MET HB2 1 52 LEU H . . 5.500 3.593 2.912 4.544 . 0 0 "[ . 1 . 2]" 1
917 1 51 MET HB3 1 52 LEU H . . 4.990 3.754 2.847 4.485 . 0 0 "[ . 1 . 2]" 1
918 1 51 MET H 1 52 LEU H . . 4.770 2.482 2.104 2.891 . 0 0 "[ . 1 . 2]" 1
919 1 51 MET HA 1 52 LEU H . . 3.500 3.289 2.858 3.503 0.003 20 0 "[ . 1 . 2]" 1
920 1 52 LEU H 1 52 LEU MD2 . . 5.200 3.887 1.900 4.346 . 0 0 "[ . 1 . 2]" 1
921 1 52 LEU H 1 52 LEU HG . . 4.500 4.236 2.594 4.516 0.016 15 0 "[ . 1 . 2]" 1
922 1 52 LEU H 1 52 LEU HB2 . . 3.920 2.448 2.097 3.585 . 0 0 "[ . 1 . 2]" 1
923 1 52 LEU H 1 52 LEU HB3 . . 3.540 2.778 2.344 3.415 . 0 0 "[ . 1 . 2]" 1
924 1 52 LEU HA 1 52 LEU HG . . 4.200 2.881 2.155 3.687 . 0 0 "[ . 1 . 2]" 1
925 1 52 LEU H 1 52 LEU MD1 . . 5.000 4.089 2.694 4.335 . 0 0 "[ . 1 . 2]" 1
926 1 52 LEU HA 1 52 LEU HB3 . . 3.000 2.930 2.540 3.015 0.015 8 0 "[ . 1 . 2]" 1
927 1 52 LEU HA 1 52 LEU HB2 . . 3.000 2.580 2.321 2.929 . 0 0 "[ . 1 . 2]" 1
928 1 52 LEU H 1 52 LEU HA . . 2.910 2.826 2.758 2.943 0.033 9 0 "[ . 1 . 2]" 1
929 1 52 LEU HA 1 53 LYS QG . . 4.800 4.724 4.057 4.855 0.055 13 0 "[ . 1 . 2]" 1
930 1 52 LEU HA 1 53 LYS H . . 3.470 3.485 3.403 3.570 0.100 2 0 "[ . 1 . 2]" 1
931 1 53 LYS H 1 53 LYS HB3 . . 3.990 3.303 2.473 3.994 0.004 15 0 "[ . 1 . 2]" 1
932 1 53 LYS H 1 53 LYS HB2 . . 3.860 3.135 2.538 3.889 0.029 9 0 "[ . 1 . 2]" 1
933 1 53 LYS H 1 53 LYS QD . . 3.780 3.522 2.333 3.854 0.074 5 0 "[ . 1 . 2]" 1
934 1 53 LYS H 1 53 LYS HA . . 2.800 2.824 2.279 2.938 0.138 17 0 "[ . 1 . 2]" 1
935 1 54 ARG H 1 54 ARG QD . . 4.500 3.878 2.522 4.469 . 0 0 "[ . 1 . 2]" 1
936 1 54 ARG HB3 1 54 ARG QD . . 3.770 2.594 2.082 3.434 . 0 0 "[ . 1 . 2]" 1
937 1 54 ARG H 1 54 ARG HB3 . . 3.900 3.425 2.755 4.052 0.152 3 0 "[ . 1 . 2]" 1
938 1 54 ARG H 1 54 ARG QG . . 4.200 2.893 1.935 4.067 . 0 0 "[ . 1 . 2]" 1
939 1 54 ARG H 1 54 ARG HB2 . . 3.900 2.816 2.226 3.825 . 0 0 "[ . 1 . 2]" 1
940 1 54 ARG HA 1 54 ARG QG . . 3.230 2.678 2.166 3.327 0.097 12 0 "[ . 1 . 2]" 1
941 1 54 ARG HA 1 54 ARG HB3 . . 3.000 2.573 2.337 3.000 0.000 10 0 "[ . 1 . 2]" 1
942 1 54 ARG HA 1 54 ARG HB2 . . 3.000 2.827 2.367 3.024 0.024 5 0 "[ . 1 . 2]" 1
943 1 54 ARG HB2 1 55 ALA H . . 5.160 3.626 2.131 4.359 . 0 0 "[ . 1 . 2]" 1
944 1 54 ARG HB3 1 55 ALA H . . 5.080 3.499 2.288 4.365 . 0 0 "[ . 1 . 2]" 1
945 1 54 ARG HA 1 55 ALA H . . 3.500 2.620 2.142 3.558 0.058 18 0 "[ . 1 . 2]" 1
946 1 55 ALA H 1 55 ALA MB . . 3.040 2.445 2.131 2.883 . 0 0 "[ . 1 . 2]" 1
947 1 55 ALA H 1 56 LEU HB3 . . 5.500 5.280 4.403 5.520 0.020 14 0 "[ . 1 . 2]" 1
948 1 55 ALA MB 1 56 LEU H . . 4.150 3.027 2.179 3.663 . 0 0 "[ . 1 . 2]" 1
949 1 55 ALA H 1 56 LEU HB2 . . 5.500 4.465 3.536 5.357 . 0 0 "[ . 1 . 2]" 1
950 1 55 ALA HA 1 56 LEU H . . 3.570 2.973 2.142 3.572 0.002 17 0 "[ . 1 . 2]" 1
951 1 56 LEU HA 1 56 LEU HG . . 4.200 2.968 2.191 3.661 . 0 0 "[ . 1 . 2]" 1
952 1 56 LEU HA 1 56 LEU MD2 . . 4.800 3.267 1.981 3.949 . 0 0 "[ . 1 . 2]" 1
953 1 56 LEU HB3 1 56 LEU MD1 . . 3.550 2.859 2.240 3.195 . 0 0 "[ . 1 . 2]" 1
954 1 56 LEU HB3 1 56 LEU MD2 . . 3.400 2.460 1.974 3.196 . 0 0 "[ . 1 . 2]" 1
955 1 56 LEU H 1 56 LEU HB2 . . 4.000 2.602 2.055 3.573 . 0 0 "[ . 1 . 2]" 1
956 1 56 LEU H 1 56 LEU MD2 . . 4.850 4.165 3.204 4.707 . 0 0 "[ . 1 . 2]" 1
957 1 56 LEU HA 1 56 LEU HB2 . . 2.900 2.649 2.327 2.914 0.014 5 0 "[ . 1 . 2]" 1
958 1 56 LEU HA 1 56 LEU HB3 . . 2.900 2.930 2.754 2.996 0.096 13 0 "[ . 1 . 2]" 1
959 1 56 LEU H 1 56 LEU HB3 . . 4.000 3.022 2.251 3.875 . 0 0 "[ . 1 . 2]" 1
960 1 56 LEU HA 1 57 LYS H . . 3.500 2.341 2.138 3.497 . 0 0 "[ . 1 . 2]" 1
961 1 56 LEU MD2 1 57 LYS H . . 5.200 4.134 2.705 4.750 . 0 0 "[ . 1 . 2]" 1
962 1 57 LYS H 1 57 LYS QG . . 5.080 3.107 1.930 4.298 . 0 0 "[ . 1 . 2]" 1
963 1 57 LYS H 1 57 LYS HB2 . . 3.800 2.787 2.180 3.761 . 0 0 "[ . 1 . 2]" 1
964 1 57 LYS H 1 57 LYS HB3 . . 3.800 3.275 2.387 3.783 . 0 0 "[ . 1 . 2]" 1
965 1 57 LYS HA 1 57 LYS HB3 . . 3.000 2.649 2.364 3.019 0.019 19 0 "[ . 1 . 2]" 1
966 1 57 LYS HB2 1 58 ASN H . . 4.800 3.974 2.837 4.563 . 0 0 "[ . 1 . 2]" 1
967 1 57 LYS HB3 1 58 ASN H . . 4.800 3.590 2.024 4.469 . 0 0 "[ . 1 . 2]" 1
968 1 57 LYS H 1 58 ASN H . . 4.500 3.856 2.037 4.502 0.002 7 0 "[ . 1 . 2]" 1
969 1 57 LYS HA 1 58 ASN H . . 3.500 2.495 2.141 3.501 0.001 18 0 "[ . 1 . 2]" 1
970 1 58 ASN H 1 58 ASN HD22 . . 5.500 4.639 3.139 5.466 . 0 0 "[ . 1 . 2]" 1
971 1 58 ASN H 1 58 ASN HD21 . . 4.500 3.853 2.066 4.475 . 0 0 "[ . 1 . 2]" 1
972 1 58 ASN HB2 1 59 LYS H . . 5.500 3.809 2.374 4.559 . 0 0 "[ . 1 . 2]" 1
973 1 58 ASN HA 1 59 LYS H . . 3.500 2.393 2.140 3.458 . 0 0 "[ . 1 . 2]" 1
974 1 59 LYS H 1 59 LYS QD . . 4.560 3.935 2.485 4.572 0.012 2 0 "[ . 1 . 2]" 1
975 1 59 LYS H 1 59 LYS HB3 . . 3.800 3.191 2.707 3.644 . 0 0 "[ . 1 . 2]" 1
976 1 59 LYS H 1 59 LYS HB2 . . 3.800 2.521 2.069 3.785 . 0 0 "[ . 1 . 2]" 1
977 1 59 LYS HB3 1 59 LYS QE . . 3.730 3.038 2.168 3.744 0.014 14 0 "[ . 1 . 2]" 1
978 1 59 LYS HB2 1 59 LYS QE . . 3.710 2.811 1.982 3.710 . 0 0 "[ . 1 . 2]" 1
979 1 59 LYS HA 1 59 LYS QG . . 3.300 2.480 2.100 3.364 0.064 16 0 "[ . 1 . 2]" 1
980 1 59 LYS HA 1 59 LYS HB3 . . 2.900 2.749 2.349 2.958 0.058 2 0 "[ . 1 . 2]" 1
981 1 59 LYS HA 1 59 LYS HB2 . . 2.900 2.765 2.370 3.012 0.112 19 0 "[ . 1 . 2]" 1
982 1 59 LYS HB2 1 59 LYS QG . . 2.800 2.318 2.132 2.474 . 0 0 "[ . 1 . 2]" 1
983 1 59 LYS HB2 1 60 ASN H . . 5.500 4.110 2.745 4.587 . 0 0 "[ . 1 . 2]" 1
984 1 59 LYS H 1 60 ASN H . . 5.060 4.172 2.085 4.640 . 0 0 "[ . 1 . 2]" 1
985 1 59 LYS HB3 1 60 ASN H . . 5.000 3.455 2.365 4.510 . 0 0 "[ . 1 . 2]" 1
986 1 59 LYS HA 1 60 ASN H . . 3.400 2.415 2.142 3.428 0.028 6 0 "[ . 1 . 2]" 1
987 1 60 ASN H 1 60 ASN HD22 . . 5.500 4.259 2.911 5.486 . 0 0 "[ . 1 . 2]" 1
988 1 60 ASN H 1 60 ASN HD21 . . 5.500 3.694 2.003 4.857 . 0 0 "[ . 1 . 2]" 1
989 1 60 ASN H 1 60 ASN HB3 . . 4.000 3.277 2.585 3.753 . 0 0 "[ . 1 . 2]" 1
990 1 60 ASN HB3 1 60 ASN HD21 . . 3.560 2.803 2.129 3.553 . 0 0 "[ . 1 . 2]" 1
991 1 60 ASN H 1 61 LYS H . . 5.200 3.885 1.916 4.626 . 0 0 "[ . 1 . 2]" 1
992 1 61 LYS H 1 61 LYS QG . . 4.680 3.518 2.106 4.249 . 0 0 "[ . 1 . 2]" 1
993 1 61 LYS H 1 61 LYS HB3 . . 4.000 3.411 2.540 3.993 . 0 0 "[ . 1 . 2]" 1
994 1 61 LYS H 1 61 LYS HB2 . . 4.000 2.793 2.247 3.679 . 0 0 "[ . 1 . 2]" 1
995 1 61 LYS HA 1 61 LYS QG . . 3.890 2.451 2.195 3.026 . 0 0 "[ . 1 . 2]" 1
996 1 61 LYS HA 1 61 LYS QD . . 4.200 3.306 2.113 4.160 . 0 0 "[ . 1 . 2]" 1
997 1 61 LYS QD 1 61 LYS QG . . 2.400 2.046 2.012 2.091 . 0 0 "[ . 1 . 2]" 1
998 1 61 LYS HB2 1 62 ALA H . . 5.180 4.089 2.674 4.591 . 0 0 "[ . 1 . 2]" 1
999 1 62 ALA MB 1 63 GLU H . . 3.780 2.772 2.244 3.119 . 0 0 "[ . 1 . 2]" 1
1000 1 63 GLU H 1 63 GLU HB3 . . 3.810 3.255 2.356 3.793 . 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 6
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 97.705
_Distance_constraint_stats_list.Viol_max 0.136
_Distance_constraint_stats_list.Viol_rms 0.0473
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0407
_Distance_constraint_stats_list.Viol_average_violations_only 0.0801
_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 12 CYS 2.676 0.116 2 0 "[ . 1 . 2]"
1 15 CYS 2.961 0.136 15 0 "[ . 1 . 2]"
1 24 CYS 2.198 0.136 15 0 "[ . 1 . 2]"
1 27 CYS 1.935 0.116 2 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 12 CYS SG 1 15 CYS SG . . 4.000 4.038 4.006 4.051 0.051 1 0 "[ . 1 . 2]" 2
2 1 12 CYS SG 1 24 CYS SG . . 3.800 3.717 3.697 3.737 . 0 0 "[ . 1 . 2]" 2
3 1 12 CYS SG 1 27 CYS SG . . 4.000 4.096 4.045 4.116 0.116 2 0 "[ . 1 . 2]" 2
4 1 15 CYS SG 1 27 CYS SG . . 4.000 3.797 3.764 4.011 0.011 14 0 "[ . 1 . 2]" 2
5 1 15 CYS SG 1 24 CYS SG . . 4.000 4.110 4.090 4.136 0.136 15 0 "[ . 1 . 2]" 2
6 1 24 CYS SG 1 27 CYS SG . . 4.000 3.694 3.628 3.730 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 80
_Distance_constraint_stats_list.Viol_total 7789.072
_Distance_constraint_stats_list.Viol_max 11.321
_Distance_constraint_stats_list.Viol_rms 4.5632
_Distance_constraint_stats_list.Viol_average_all_restraints 3.2454
_Distance_constraint_stats_list.Viol_average_violations_only 4.8682
_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 9 MET 219.258 11.321 18 20 [-****************+**]
1 12 CYS 1.877 0.137 13 0 "[ . 1 . 2]"
1 21 LYS 162.797 8.311 14 20 [*************+-*****]
1 24 CYS 5.523 0.296 17 0 "[ . 1 . 2]"
2 1 ZN 389.454 11.321 18 20 [**************-**+**]
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 CYS CB 2 1 ZN ZN . . 3.500 3.594 3.567 3.637 0.137 13 0 "[ . 1 . 2]" 3
2 1 21 LYS CB 2 1 ZN ZN . . 3.500 11.640 11.570 11.811 8.311 14 20 [*************+-*****] 3
3 1 24 CYS CB 2 1 ZN ZN . . 3.500 3.350 3.323 3.410 . 0 0 "[ . 1 . 2]" 3
4 1 9 MET CB 2 1 ZN ZN . . 3.500 14.463 14.158 14.821 11.321 18 20 [-****************+**] 3
5 1 12 CYS SG 2 1 ZN ZN . . 2.400 2.370 2.357 2.397 . 0 0 "[ . 1 . 2]" 3
6 1 24 CYS SG 2 1 ZN ZN . . 2.400 2.676 2.643 2.696 0.296 17 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 312
_Distance_constraint_stats_list.Viol_total 492.360
_Distance_constraint_stats_list.Viol_max 0.184
_Distance_constraint_stats_list.Viol_rms 0.0563
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0440
_Distance_constraint_stats_list.Viol_average_violations_only 0.0789
_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 10 LYS 1.257 0.101 18 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 CYS 8.494 0.165 8 0 "[ . 1 . 2]"
1 14 LYS 3.038 0.147 20 0 "[ . 1 . 2]"
1 15 CYS 4.467 0.165 8 0 "[ . 1 . 2]"
1 17 LEU 0.989 0.121 14 0 "[ . 1 . 2]"
1 19 THR 2.725 0.101 18 0 "[ . 1 . 2]"
1 21 LYS 4.429 0.159 14 0 "[ . 1 . 2]"
1 22 GLU 1.993 0.101 19 0 "[ . 1 . 2]"
1 23 ILE 2.962 0.159 14 0 "[ . 1 . 2]"
1 24 CYS 8.250 0.184 19 0 "[ . 1 . 2]"
1 26 LYS 2.278 0.140 20 0 "[ . 1 . 2]"
1 27 CYS 6.076 0.184 19 0 "[ . 1 . 2]"
1 28 GLY 0.195 0.024 2 0 "[ . 1 . 2]"
1 29 GLU 0.090 0.032 7 0 "[ . 1 . 2]"
1 31 THR 1.993 0.101 19 0 "[ . 1 . 2]"
1 32 VAL 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 10 LYS H 1 19 THR O . . 2.000 2.038 1.907 2.101 0.101 18 0 "[ . 1 . 2]" 4
2 1 10 LYS N 1 19 THR O . . 3.000 2.995 2.841 3.065 0.065 18 0 "[ . 1 . 2]" 4
3 1 11 LYS H 1 32 VAL O . . 2.000 1.806 1.788 1.854 . 0 0 "[ . 1 . 2]" 4
4 1 11 LYS N 1 32 VAL O . . 3.000 2.770 2.749 2.815 . 0 0 "[ . 1 . 2]" 4
5 1 12 CYS H 1 17 LEU O . . 2.000 2.047 2.019 2.121 0.121 14 0 "[ . 1 . 2]" 4
6 1 12 CYS N 1 17 LEU O . . 3.000 2.966 2.938 3.034 0.034 14 0 "[ . 1 . 2]" 4
7 1 12 CYS SG 1 14 LYS H . . 2.500 2.633 2.616 2.647 0.147 20 0 "[ . 1 . 2]" 4
8 1 12 CYS SG 1 14 LYS N . . 3.500 3.519 3.503 3.530 0.030 17 0 "[ . 1 . 2]" 4
9 1 12 CYS SG 1 15 CYS H . . 2.500 2.650 2.629 2.665 0.165 8 0 "[ . 1 . 2]" 4
10 1 12 CYS SG 1 15 CYS N . . 3.500 3.573 3.563 3.582 0.082 18 0 "[ . 1 . 2]" 4
11 1 10 LYS O 1 19 THR H . . 2.000 1.989 1.942 2.042 0.042 20 0 "[ . 1 . 2]" 4
12 1 10 LYS O 1 19 THR N . . 3.000 2.922 2.853 2.999 . 0 0 "[ . 1 . 2]" 4
13 1 19 THR OG1 1 21 LYS H . . 2.300 2.351 2.309 2.370 0.070 20 0 "[ . 1 . 2]" 4
14 1 19 THR OG1 1 21 LYS N . . 3.300 3.318 3.236 3.339 0.039 14 0 "[ . 1 . 2]" 4
15 1 21 LYS O 1 23 ILE H . . 2.500 2.648 2.632 2.659 0.159 14 0 "[ . 1 . 2]" 4
16 1 21 LYS O 1 23 ILE N . . 3.500 2.912 2.882 2.933 . 0 0 "[ . 1 . 2]" 4
17 1 24 CYS H 1 29 GLU O . . 2.000 1.946 1.803 2.032 0.032 7 0 "[ . 1 . 2]" 4
18 1 24 CYS N 1 29 GLU O . . 3.000 2.813 2.735 2.912 . 0 0 "[ . 1 . 2]" 4
19 1 24 CYS SG 1 26 LYS H . . 2.500 2.614 2.588 2.640 0.140 20 0 "[ . 1 . 2]" 4
20 1 24 CYS SG 1 26 LYS N . . 3.500 3.463 3.429 3.491 . 0 0 "[ . 1 . 2]" 4
21 1 24 CYS SG 1 27 CYS H . . 2.500 2.663 2.647 2.684 0.184 19 0 "[ . 1 . 2]" 4
22 1 24 CYS SG 1 27 CYS N . . 3.500 3.631 3.615 3.652 0.152 19 0 "[ . 1 . 2]" 4
23 1 27 CYS SG 1 28 GLY H . . 2.800 2.797 2.715 2.824 0.024 2 0 "[ . 1 . 2]" 4
24 1 27 CYS SG 1 28 GLY N . . 3.800 3.167 3.149 3.208 . 0 0 "[ . 1 . 2]" 4
25 1 22 GLU O 1 31 THR H . . 2.000 2.079 2.062 2.101 0.101 19 0 "[ . 1 . 2]" 4
26 1 22 GLU O 1 31 THR N . . 3.000 3.019 2.966 3.059 0.059 17 0 "[ . 1 . 2]" 4
27 1 11 LYS O 1 32 VAL H . . 2.000 1.793 1.780 1.830 . 0 0 "[ . 1 . 2]" 4
28 1 11 LYS O 1 32 VAL N . . 3.000 2.748 2.730 2.790 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 9
_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 .
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 7 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 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 7 MET N 1 16 GLY O . 2.700 . 14.848 12.030 17.655 . 0 0 "[ . 1 . 2]" 5
2 1 8 ARG N 1 29 GLU O . 2.700 . 17.190 15.959 18.000 . 0 0 "[ . 1 . 2]" 5
3 1 9 MET N 1 14 LYS O . 2.700 . 18.027 17.858 18.218 . 0 0 "[ . 1 . 2]" 5
4 1 7 MET O 1 16 GLY N . 2.700 . 15.752 14.258 18.317 . 0 0 "[ . 1 . 2]" 5
5 1 18 TYR O 1 20 LEU N . 2.700 . 5.148 5.138 5.151 . 0 0 "[ . 1 . 2]" 5
6 1 21 LYS N 1 26 LYS O . 2.700 . 13.866 13.748 13.967 . 0 0 "[ . 1 . 2]" 5
7 1 24 CYS SG 1 25 PRO N . 2.700 . 3.768 3.740 3.790 . 0 0 "[ . 1 . 2]" 5
8 1 19 THR O 1 28 GLY N . 2.700 . 12.999 12.710 13.224 . 0 0 "[ . 1 . 2]" 5
9 1 8 ARG O 1 29 GLU N . 2.700 . 17.283 15.619 18.247 . 0 0 "[ . 1 . 2]" 5
stop_
save_
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