Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381571 | 1j5j RC | 5184 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j5j
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 320
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 1.000
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0500
_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 1 ARG 0.000 0.000 . 0 "[ ]"
1 2 PRO 0.000 0.000 . 0 "[ ]"
1 3 THR 0.133 0.101 1 0 "[ ]"
1 4 ASP 0.101 0.101 1 0 "[ ]"
1 5 ILE 0.096 0.064 1 0 "[ ]"
1 6 LYS 0.052 0.052 1 0 "[ ]"
1 7 CYS 0.109 0.079 1 0 "[ ]"
1 8 SER 0.000 0.000 . 0 "[ ]"
1 9 GLU 0.079 0.079 1 0 "[ ]"
1 10 SER 0.000 0.000 . 0 "[ ]"
1 11 TYR 0.033 0.033 1 0 "[ ]"
1 12 GLN 0.000 0.000 . 0 "[ ]"
1 13 CYS 0.000 0.000 . 0 "[ ]"
1 14 PHE 0.000 0.000 . 0 "[ ]"
1 15 PRO 0.057 0.057 1 0 "[ ]"
1 16 VAL 0.123 0.066 1 0 "[ ]"
1 17 CYS 0.103 0.066 1 0 "[ ]"
1 18 LYS 0.000 0.000 . 0 "[ ]"
1 19 SER 0.000 0.000 . 0 "[ ]"
1 20 ARG 0.000 0.000 . 0 "[ ]"
1 21 PHE 0.013 0.007 1 0 "[ ]"
1 22 GLY 0.000 0.000 . 0 "[ ]"
1 23 LYS 0.080 0.080 1 0 "[ ]"
1 24 THR 0.000 0.000 . 0 "[ ]"
1 25 ASN 0.005 0.005 1 0 "[ ]"
1 26 GLY 0.087 0.082 1 0 "[ ]"
1 27 ARG 0.082 0.082 1 0 "[ ]"
1 28 CYS 0.000 0.000 . 0 "[ ]"
1 29 VAL 0.085 0.052 1 0 "[ ]"
1 30 ASN 0.052 0.052 1 0 "[ ]"
1 31 GLY 0.043 0.043 1 0 "[ ]"
1 32 PHE 0.064 0.033 1 0 "[ ]"
1 33 CYS 0.135 0.082 1 0 "[ ]"
1 34 ASP 0.000 0.000 . 0 "[ ]"
1 35 CYS 0.066 0.066 1 0 "[ ]"
1 36 PHE 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ARG HA 1 2 PRO HD2 . . 3.080 2.559 2.559 2.559 . 0 0 "[ ]" 1
2 1 1 ARG HA 1 2 PRO HD3 . . 2.620 2.150 2.150 2.150 . 0 0 "[ ]" 1
3 1 1 ARG QB 1 2 PRO HD2 . . 4.140 2.267 2.267 2.267 . 0 0 "[ ]" 1
4 1 1 ARG QB 1 2 PRO HD3 . . 5.010 3.385 3.385 3.385 . 0 0 "[ ]" 1
5 1 2 PRO HA 1 3 THR H . . 2.590 2.297 2.297 2.297 . 0 0 "[ ]" 1
6 1 2 PRO HA 1 34 ASP HA . . 2.800 2.216 2.216 2.216 . 0 0 "[ ]" 1
7 1 2 PRO HA 1 35 CYS H . . 4.070 3.670 3.670 3.670 . 0 0 "[ ]" 1
8 1 2 PRO HB2 1 3 THR H . . 3.480 3.086 3.086 3.086 . 0 0 "[ ]" 1
9 1 2 PRO HB2 1 3 THR MG . . 6.530 4.578 4.578 4.578 . 0 0 "[ ]" 1
10 1 2 PRO HB3 1 3 THR H . . 3.760 3.601 3.601 3.601 . 0 0 "[ ]" 1
11 1 3 THR H 1 3 THR MG . . 4.480 2.466 2.466 2.466 . 0 0 "[ ]" 1
12 1 3 THR H 1 4 ASP H . . 4.170 4.271 4.271 4.271 0.101 1 0 "[ ]" 1
13 1 3 THR H 1 34 ASP HA . . 3.550 3.207 3.207 3.207 . 0 0 "[ ]" 1
14 1 3 THR HA 1 4 ASP H . . 3.210 2.853 2.853 2.853 . 0 0 "[ ]" 1
15 1 3 THR HB 1 4 ASP H . . 2.460 2.175 2.175 2.175 . 0 0 "[ ]" 1
16 1 3 THR HB 1 5 ILE H . . 3.050 3.082 3.082 3.082 0.032 1 0 "[ ]" 1
17 1 3 THR HB 1 5 ILE QG . . 5.850 3.027 3.027 3.027 . 0 0 "[ ]" 1
18 1 3 THR HB 1 5 ILE MD . . 6.430 3.077 3.077 3.077 . 0 0 "[ ]" 1
19 1 3 THR HB 1 21 PHE HZ . . 5.470 4.202 4.202 4.202 . 0 0 "[ ]" 1
20 1 3 THR MG 1 4 ASP H . . 5.600 3.791 3.791 3.791 . 0 0 "[ ]" 1
21 1 3 THR MG 1 5 ILE H . . 6.530 3.916 3.916 3.916 . 0 0 "[ ]" 1
22 1 3 THR MG 1 21 PHE QD . . 8.650 4.375 4.375 4.375 . 0 0 "[ ]" 1
23 1 3 THR MG 1 21 PHE HZ . . 5.910 3.370 3.370 3.370 . 0 0 "[ ]" 1
24 1 3 THR MG 1 34 ASP HA . . 5.720 2.785 2.785 2.785 . 0 0 "[ ]" 1
25 1 3 THR MG 1 35 CYS H . . 5.260 3.204 3.204 3.204 . 0 0 "[ ]" 1
26 1 3 THR MG 1 35 CYS HB2 . . 5.600 3.791 3.791 3.791 . 0 0 "[ ]" 1
27 1 4 ASP H 1 4 ASP HB2 . . 3.760 3.743 3.743 3.743 . 0 0 "[ ]" 1
28 1 4 ASP H 1 4 ASP HB3 . . 3.210 3.026 3.026 3.026 . 0 0 "[ ]" 1
29 1 4 ASP H 1 5 ILE H . . 3.080 2.195 2.195 2.195 . 0 0 "[ ]" 1
30 1 4 ASP H 1 5 ILE MD . . 6.530 3.978 3.978 3.978 . 0 0 "[ ]" 1
31 1 5 ILE H 1 5 ILE HB . . 2.680 2.361 2.361 2.361 . 0 0 "[ ]" 1
32 1 5 ILE H 1 5 ILE HG12 . . 3.610 3.674 3.674 3.674 0.064 1 0 "[ ]" 1
33 1 5 ILE H 1 5 ILE HG13 . . 3.610 2.285 2.285 2.285 . 0 0 "[ ]" 1
34 1 5 ILE H 1 5 ILE QG . . 3.330 2.264 2.264 2.264 . 0 0 "[ ]" 1
35 1 5 ILE H 1 32 PHE QD . . 6.820 3.845 3.845 3.845 . 0 0 "[ ]" 1
36 1 5 ILE H 1 33 CYS H . . 4.040 3.372 3.372 3.372 . 0 0 "[ ]" 1
37 1 5 ILE H 1 33 CYS HB2 . . 5.500 3.622 3.622 3.622 . 0 0 "[ ]" 1
38 1 5 ILE HA 1 5 ILE HG12 . . 4.110 2.668 2.668 2.668 . 0 0 "[ ]" 1
39 1 5 ILE HA 1 5 ILE HG13 . . 4.110 2.783 2.783 2.783 . 0 0 "[ ]" 1
40 1 5 ILE HA 1 5 ILE QG . . 3.710 2.425 2.425 2.425 . 0 0 "[ ]" 1
41 1 5 ILE HA 1 6 LYS H . . 2.400 2.186 2.186 2.186 . 0 0 "[ ]" 1
42 1 5 ILE HB 1 33 CYS H . . 4.040 3.146 3.146 3.146 . 0 0 "[ ]" 1
43 1 5 ILE HB 1 33 CYS HB2 . . 2.930 2.250 2.250 2.250 . 0 0 "[ ]" 1
44 1 5 ILE HB 1 33 CYS HB3 . . 4.910 3.847 3.847 3.847 . 0 0 "[ ]" 1
45 1 5 ILE MG 1 6 LYS H . . 4.300 3.063 3.063 3.063 . 0 0 "[ ]" 1
46 1 5 ILE MG 1 7 CYS HA . . 6.530 4.834 4.834 4.834 . 0 0 "[ ]" 1
47 1 5 ILE MG 1 33 CYS H . . 6.530 3.823 3.823 3.823 . 0 0 "[ ]" 1
48 1 5 ILE MG 1 33 CYS HB2 . . 4.670 3.329 3.329 3.329 . 0 0 "[ ]" 1
49 1 5 ILE QG 1 6 LYS H . . 5.140 4.257 4.257 4.257 . 0 0 "[ ]" 1
50 1 5 ILE QG 1 16 VAL MG1 . . 6.450 4.341 4.341 4.341 . 0 0 "[ ]" 1
51 1 5 ILE MD 1 16 VAL MG1 . . 6.560 2.737 2.737 2.737 . 0 0 "[ ]" 1
52 1 5 ILE MD 1 21 PHE HZ . . 5.720 2.740 2.740 2.740 . 0 0 "[ ]" 1
53 1 6 LYS H 1 6 LYS QB . . 3.710 2.219 2.219 2.219 . 0 0 "[ ]" 1
54 1 6 LYS HA 1 7 CYS H . . 2.400 2.286 2.286 2.286 . 0 0 "[ ]" 1
55 1 6 LYS HA 1 32 PHE HA . . 2.710 2.637 2.637 2.637 . 0 0 "[ ]" 1
56 1 6 LYS HA 1 32 PHE QD . . 6.540 2.561 2.561 2.561 . 0 0 "[ ]" 1
57 1 6 LYS HA 1 33 CYS H . . 4.010 4.062 4.062 4.062 0.052 1 0 "[ ]" 1
58 1 6 LYS QB 1 7 CYS H . . 4.210 3.614 3.614 3.614 . 0 0 "[ ]" 1
59 1 7 CYS H 1 7 CYS HB2 . . 4.140 3.902 3.902 3.902 . 0 0 "[ ]" 1
60 1 7 CYS H 1 7 CYS HB3 . . 3.830 3.588 3.588 3.588 . 0 0 "[ ]" 1
61 1 7 CYS H 1 31 GLY HA2 . . 3.950 3.643 3.643 3.643 . 0 0 "[ ]" 1
62 1 7 CYS H 1 31 GLY HA3 . . 4.570 4.225 4.225 4.225 . 0 0 "[ ]" 1
63 1 7 CYS H 1 32 PHE HA . . 3.210 3.240 3.240 3.240 0.030 1 0 "[ ]" 1
64 1 7 CYS HA 1 7 CYS HB2 . . 2.590 2.525 2.525 2.525 . 0 0 "[ ]" 1
65 1 7 CYS HA 1 7 CYS HB3 . . 2.620 2.333 2.333 2.333 . 0 0 "[ ]" 1
66 1 7 CYS HA 1 8 SER H . . 2.590 2.386 2.386 2.386 . 0 0 "[ ]" 1
67 1 7 CYS HA 1 9 GLU H . . 3.730 3.809 3.809 3.809 0.079 1 0 "[ ]" 1
68 1 7 CYS HA 1 12 GLN HE22 . . 5.500 4.767 4.767 4.767 . 0 0 "[ ]" 1
69 1 7 CYS HB2 1 8 SER H . . 3.270 2.772 2.772 2.772 . 0 0 "[ ]" 1
70 1 7 CYS HB2 1 9 GLU H . . 3.170 2.399 2.399 2.399 . 0 0 "[ ]" 1
71 1 7 CYS HB3 1 8 SER H . . 4.290 3.861 3.861 3.861 . 0 0 "[ ]" 1
72 1 8 SER H 1 8 SER HB2 . . 4.140 3.649 3.649 3.649 . 0 0 "[ ]" 1
73 1 8 SER H 1 8 SER HB3 . . 3.790 2.799 2.799 2.799 . 0 0 "[ ]" 1
74 1 8 SER H 1 9 GLU H . . 2.490 2.131 2.131 2.131 . 0 0 "[ ]" 1
75 1 8 SER H 1 12 GLN HE22 . . 5.280 2.839 2.839 2.839 . 0 0 "[ ]" 1
76 1 8 SER HA 1 8 SER HB2 . . 2.830 2.462 2.462 2.462 . 0 0 "[ ]" 1
77 1 8 SER HA 1 8 SER HB3 . . 2.860 2.474 2.474 2.474 . 0 0 "[ ]" 1
78 1 9 GLU H 1 9 GLU HB2 . . 3.360 2.820 2.820 2.820 . 0 0 "[ ]" 1
79 1 9 GLU H 1 12 GLN HB2 . . 5.440 3.300 3.300 3.300 . 0 0 "[ ]" 1
80 1 9 GLU HA 1 9 GLU HB3 . . 2.830 2.605 2.605 2.605 . 0 0 "[ ]" 1
81 1 9 GLU HA 1 10 SER H . . 2.620 2.590 2.590 2.590 . 0 0 "[ ]" 1
82 1 9 GLU HB2 1 10 SER H . . 4.070 3.691 3.691 3.691 . 0 0 "[ ]" 1
83 1 9 GLU HB2 1 11 TYR QD . . 6.520 3.201 3.201 3.201 . 0 0 "[ ]" 1
84 1 9 GLU HB2 1 11 TYR QE . . 6.640 2.478 2.478 2.478 . 0 0 "[ ]" 1
85 1 9 GLU HB3 1 10 SER H . . 3.520 2.347 2.347 2.347 . 0 0 "[ ]" 1
86 1 9 GLU HB3 1 11 TYR H . . 3.580 2.994 2.994 2.994 . 0 0 "[ ]" 1
87 1 9 GLU HB3 1 11 TYR QD . . 6.460 2.301 2.301 2.301 . 0 0 "[ ]" 1
88 1 9 GLU HB3 1 11 TYR QE . . 6.920 2.867 2.867 2.867 . 0 0 "[ ]" 1
89 1 10 SER H 1 10 SER HB2 . . 2.990 2.386 2.386 2.386 . 0 0 "[ ]" 1
90 1 10 SER H 1 10 SER HB3 . . 3.700 3.563 3.563 3.563 . 0 0 "[ ]" 1
91 1 10 SER H 1 11 TYR H . . 3.550 2.370 2.370 2.370 . 0 0 "[ ]" 1
92 1 10 SER H 1 28 CYS HB2 . . 5.500 4.033 4.033 4.033 . 0 0 "[ ]" 1
93 1 10 SER H 1 28 CYS HB3 . . 5.440 4.205 4.205 4.205 . 0 0 "[ ]" 1
94 1 10 SER HA 1 13 CYS H . . 4.140 3.384 3.384 3.384 . 0 0 "[ ]" 1
95 1 10 SER HA 1 13 CYS HB2 . . 4.380 3.387 3.387 3.387 . 0 0 "[ ]" 1
96 1 10 SER HA 1 27 ARG HA . . 3.920 3.214 3.214 3.214 . 0 0 "[ ]" 1
97 1 10 SER HA 1 28 CYS H . . 2.930 2.446 2.446 2.446 . 0 0 "[ ]" 1
98 1 10 SER HA 1 28 CYS HB2 . . 2.620 2.229 2.229 2.229 . 0 0 "[ ]" 1
99 1 10 SER HA 1 28 CYS HB3 . . 3.640 3.296 3.296 3.296 . 0 0 "[ ]" 1
100 1 10 SER HB2 1 28 CYS H . . 5.500 4.119 4.119 4.119 . 0 0 "[ ]" 1
101 1 10 SER HB3 1 11 TYR H . . 4.290 3.898 3.898 3.898 . 0 0 "[ ]" 1
102 1 10 SER HB3 1 27 ARG HA . . 3.140 2.528 2.528 2.528 . 0 0 "[ ]" 1
103 1 10 SER HB3 1 28 CYS H . . 4.350 3.160 3.160 3.160 . 0 0 "[ ]" 1
104 1 11 TYR H 1 11 TYR HB2 . . 3.390 3.423 3.423 3.423 0.033 1 0 "[ ]" 1
105 1 11 TYR H 1 11 TYR HB3 . . 2.830 2.189 2.189 2.189 . 0 0 "[ ]" 1
106 1 11 TYR H 1 12 GLN H . . 3.330 2.583 2.583 2.583 . 0 0 "[ ]" 1
107 1 11 TYR HA 1 11 TYR HB2 . . 2.590 2.433 2.433 2.433 . 0 0 "[ ]" 1
108 1 11 TYR HA 1 11 TYR HB3 . . 2.710 2.628 2.628 2.628 . 0 0 "[ ]" 1
109 1 11 TYR HA 1 13 CYS H . . 4.420 3.803 3.803 3.803 . 0 0 "[ ]" 1
110 1 11 TYR HA 1 14 PHE H . . 4.760 3.217 3.217 3.217 . 0 0 "[ ]" 1
111 1 11 TYR HA 1 14 PHE HB2 . . 4.510 3.846 3.846 3.846 . 0 0 "[ ]" 1
112 1 11 TYR HB3 1 14 PHE QD . . 6.850 5.308 5.308 5.308 . 0 0 "[ ]" 1
113 1 12 GLN H 1 12 GLN HB2 . . 2.860 2.422 2.422 2.422 . 0 0 "[ ]" 1
114 1 12 GLN H 1 12 GLN HB3 . . 3.790 3.561 3.561 3.561 . 0 0 "[ ]" 1
115 1 12 GLN H 1 12 GLN HG2 . . 4.230 3.654 3.654 3.654 . 0 0 "[ ]" 1
116 1 12 GLN H 1 12 GLN HG3 . . 3.390 2.275 2.275 2.275 . 0 0 "[ ]" 1
117 1 12 GLN H 1 13 CYS H . . 2.960 2.478 2.478 2.478 . 0 0 "[ ]" 1
118 1 12 GLN HA 1 12 GLN HB3 . . 3.050 2.526 2.526 2.526 . 0 0 "[ ]" 1
119 1 12 GLN HA 1 12 GLN HG2 . . 3.860 2.663 2.663 2.663 . 0 0 "[ ]" 1
120 1 12 GLN HA 1 12 GLN HG3 . . 3.760 2.780 2.780 2.780 . 0 0 "[ ]" 1
121 1 12 GLN HA 1 15 PRO QG . . 6.380 3.545 3.545 3.545 . 0 0 "[ ]" 1
122 1 12 GLN HB2 1 13 CYS H . . 4.420 3.001 3.001 3.001 . 0 0 "[ ]" 1
123 1 13 CYS H 1 13 CYS HB2 . . 2.830 2.435 2.435 2.435 . 0 0 "[ ]" 1
124 1 13 CYS H 1 13 CYS HB3 . . 3.610 3.596 3.596 3.596 . 0 0 "[ ]" 1
125 1 13 CYS H 1 14 PHE H . . 2.860 2.279 2.279 2.279 . 0 0 "[ ]" 1
126 1 13 CYS HA 1 16 VAL H . . 4.290 3.569 3.569 3.569 . 0 0 "[ ]" 1
127 1 13 CYS HA 1 16 VAL HB . . 3.760 2.632 2.632 2.632 . 0 0 "[ ]" 1
128 1 13 CYS HA 1 16 VAL MG1 . . 5.630 2.879 2.879 2.879 . 0 0 "[ ]" 1
129 1 13 CYS HA 1 16 VAL MG2 . . 5.910 3.889 3.889 3.889 . 0 0 "[ ]" 1
130 1 13 CYS HA 1 17 CYS H . . 4.380 4.200 4.200 4.200 . 0 0 "[ ]" 1
131 1 13 CYS HB2 1 14 PHE H . . 3.670 2.930 2.930 2.930 . 0 0 "[ ]" 1
132 1 13 CYS HB2 1 26 GLY HA3 . . 4.290 3.519 3.519 3.519 . 0 0 "[ ]" 1
133 1 13 CYS HB3 1 14 PHE H . . 4.630 3.941 3.941 3.941 . 0 0 "[ ]" 1
134 1 13 CYS HB3 1 16 VAL MG1 . . 4.640 3.720 3.720 3.720 . 0 0 "[ ]" 1
135 1 13 CYS HB3 1 26 GLY HA3 . . 3.920 3.296 3.296 3.296 . 0 0 "[ ]" 1
136 1 13 CYS HB3 1 27 ARG H . . 5.500 3.924 3.924 3.924 . 0 0 "[ ]" 1
137 1 13 CYS HB3 1 28 CYS HA . . 5.500 4.780 4.780 4.780 . 0 0 "[ ]" 1
138 1 14 PHE H 1 14 PHE HB2 . . 3.240 2.890 2.890 2.890 . 0 0 "[ ]" 1
139 1 14 PHE H 1 14 PHE HB3 . . 2.900 1.930 1.930 1.930 . 0 0 "[ ]" 1
140 1 14 PHE H 1 15 PRO QG . . 6.380 4.001 4.001 4.001 . 0 0 "[ ]" 1
141 1 14 PHE H 1 15 PRO QD . . 4.980 2.073 2.073 2.073 . 0 0 "[ ]" 1
142 1 14 PHE HA 1 14 PHE HB2 . . 2.830 2.335 2.335 2.335 . 0 0 "[ ]" 1
143 1 14 PHE HA 1 14 PHE HB3 . . 2.990 2.979 2.979 2.979 . 0 0 "[ ]" 1
144 1 14 PHE HA 1 17 CYS H . . 4.420 3.615 3.615 3.615 . 0 0 "[ ]" 1
145 1 14 PHE HA 1 17 CYS HB2 . . 3.920 3.105 3.105 3.105 . 0 0 "[ ]" 1
146 1 14 PHE HA 1 18 LYS H . . 5.070 4.334 4.334 4.334 . 0 0 "[ ]" 1
147 1 14 PHE HA 1 26 GLY H . . 4.820 2.456 2.456 2.456 . 0 0 "[ ]" 1
148 1 14 PHE HB2 1 15 PRO QD . . 4.520 3.372 3.372 3.372 . 0 0 "[ ]" 1
149 1 14 PHE HB3 1 15 PRO QD . . 4.210 1.891 1.891 1.891 . 0 0 "[ ]" 1
150 1 15 PRO HA 1 18 LYS H . . 3.860 3.164 3.164 3.164 . 0 0 "[ ]" 1
151 1 15 PRO HA 1 18 LYS QB . . 4.830 2.548 2.548 2.548 . 0 0 "[ ]" 1
152 1 15 PRO HB2 1 16 VAL H . . 3.390 3.447 3.447 3.447 0.057 1 0 "[ ]" 1
153 1 15 PRO HB2 1 16 VAL HA . . 4.630 4.144 4.144 4.144 . 0 0 "[ ]" 1
154 1 15 PRO QG 1 16 VAL H . . 5.450 2.942 2.942 2.942 . 0 0 "[ ]" 1
155 1 15 PRO QD 1 16 VAL H . . 5.110 2.241 2.241 2.241 . 0 0 "[ ]" 1
156 1 16 VAL H 1 16 VAL HB . . 2.960 1.971 1.971 1.971 . 0 0 "[ ]" 1
157 1 16 VAL H 1 16 VAL MG2 . . 4.760 3.170 3.170 3.170 . 0 0 "[ ]" 1
158 1 16 VAL H 1 17 CYS H . . 2.900 2.544 2.544 2.544 . 0 0 "[ ]" 1
159 1 16 VAL HA 1 17 CYS H . . 3.580 3.576 3.576 3.576 . 0 0 "[ ]" 1
160 1 16 VAL HA 1 20 ARG H . . 4.200 3.882 3.882 3.882 . 0 0 "[ ]" 1
161 1 16 VAL HB 1 17 CYS H . . 3.210 3.276 3.276 3.276 0.066 1 0 "[ ]" 1
162 1 16 VAL MG1 1 17 CYS H . . 5.260 2.573 2.573 2.573 . 0 0 "[ ]" 1
163 1 16 VAL MG1 1 17 CYS HA . . 5.940 2.922 2.922 2.922 . 0 0 "[ ]" 1
164 1 16 VAL MG1 1 17 CYS HB2 . . 6.530 4.014 4.014 4.014 . 0 0 "[ ]" 1
165 1 16 VAL MG1 1 21 PHE QE . . 6.980 3.748 3.748 3.748 . 0 0 "[ ]" 1
166 1 17 CYS H 1 17 CYS HB2 . . 2.650 2.344 2.344 2.344 . 0 0 "[ ]" 1
167 1 17 CYS H 1 17 CYS HB3 . . 3.520 3.550 3.550 3.550 0.030 1 0 "[ ]" 1
168 1 17 CYS H 1 18 LYS H . . 2.930 2.429 2.429 2.429 . 0 0 "[ ]" 1
169 1 17 CYS HA 1 17 CYS HB3 . . 2.900 2.536 2.536 2.536 . 0 0 "[ ]" 1
170 1 17 CYS HA 1 20 ARG H . . 4.260 3.399 3.399 3.399 . 0 0 "[ ]" 1
171 1 17 CYS HA 1 21 PHE H . . 3.760 3.029 3.029 3.029 . 0 0 "[ ]" 1
172 1 17 CYS HA 1 21 PHE HB2 . . 3.450 3.457 3.457 3.457 0.007 1 0 "[ ]" 1
173 1 17 CYS HA 1 21 PHE QD . . 5.480 2.277 2.277 2.277 . 0 0 "[ ]" 1
174 1 17 CYS HB2 1 18 LYS H . . 3.080 2.777 2.777 2.777 . 0 0 "[ ]" 1
175 1 17 CYS HB2 1 23 LYS HB2 . . 4.230 3.569 3.569 3.569 . 0 0 "[ ]" 1
176 1 17 CYS HB3 1 18 LYS H . . 4.110 3.709 3.709 3.709 . 0 0 "[ ]" 1
177 1 17 CYS HB3 1 25 ASN H . . 5.500 4.859 4.859 4.859 . 0 0 "[ ]" 1
178 1 18 LYS H 1 18 LYS QB . . 3.680 2.212 2.212 2.212 . 0 0 "[ ]" 1
179 1 18 LYS H 1 19 SER H . . 2.960 2.499 2.499 2.499 . 0 0 "[ ]" 1
180 1 18 LYS HA 1 22 GLY H . . 3.580 3.100 3.100 3.100 . 0 0 "[ ]" 1
181 1 18 LYS HA 1 23 LYS H . . 2.800 2.699 2.699 2.699 . 0 0 "[ ]" 1
182 1 18 LYS QB 1 19 SER H . . 3.990 2.914 2.914 2.914 . 0 0 "[ ]" 1
183 1 18 LYS QB 1 24 THR HA . . 6.380 4.650 4.650 4.650 . 0 0 "[ ]" 1
184 1 19 SER H 1 19 SER HA . . 2.900 2.825 2.825 2.825 . 0 0 "[ ]" 1
185 1 19 SER H 1 20 ARG H . . 2.960 2.545 2.545 2.545 . 0 0 "[ ]" 1
186 1 20 ARG H 1 20 ARG HB2 . . 3.580 2.602 2.602 2.602 . 0 0 "[ ]" 1
187 1 20 ARG H 1 20 ARG HB3 . . 2.860 2.437 2.437 2.437 . 0 0 "[ ]" 1
188 1 20 ARG H 1 20 ARG HG2 . . 5.280 4.397 4.397 4.397 . 0 0 "[ ]" 1
189 1 20 ARG H 1 20 ARG HG3 . . 5.280 4.453 4.453 4.453 . 0 0 "[ ]" 1
190 1 20 ARG H 1 20 ARG QG . . 4.760 3.942 3.942 3.942 . 0 0 "[ ]" 1
191 1 20 ARG H 1 21 PHE H . . 2.830 2.569 2.569 2.569 . 0 0 "[ ]" 1
192 1 20 ARG H 1 22 GLY H . 3.000 4.290 3.534 3.534 3.534 . 0 0 "[ ]" 1
193 1 20 ARG HA 1 20 ARG HB2 . . 3.050 2.494 2.494 2.494 . 0 0 "[ ]" 1
194 1 20 ARG HB2 1 20 ARG QG . . 2.600 2.440 2.440 2.440 . 0 0 "[ ]" 1
195 1 20 ARG HB2 1 20 ARG HE . . 5.160 4.494 4.494 4.494 . 0 0 "[ ]" 1
196 1 20 ARG HB2 1 21 PHE H . . 4.110 3.740 3.740 3.740 . 0 0 "[ ]" 1
197 1 20 ARG HB2 1 21 PHE QD . . 6.630 4.785 4.785 4.785 . 0 0 "[ ]" 1
198 1 20 ARG HB2 1 21 PHE QE . . 6.470 4.900 4.900 4.900 . 0 0 "[ ]" 1
199 1 20 ARG HB3 1 20 ARG HE . . 5.500 4.405 4.405 4.405 . 0 0 "[ ]" 1
200 1 20 ARG HB3 1 21 PHE H . . 3.480 2.314 2.314 2.314 . 0 0 "[ ]" 1
201 1 20 ARG HB3 1 21 PHE QD . . 6.880 3.286 3.286 3.286 . 0 0 "[ ]" 1
202 1 21 PHE H 1 21 PHE HB2 . . 2.930 2.326 2.326 2.326 . 0 0 "[ ]" 1
203 1 21 PHE H 1 21 PHE HB3 . . 3.520 3.525 3.525 3.525 0.005 1 0 "[ ]" 1
204 1 21 PHE H 1 22 GLY H . . 2.650 2.182 2.182 2.182 . 0 0 "[ ]" 1
205 1 21 PHE H 1 22 GLY QA . . 5.730 4.120 4.120 4.120 . 0 0 "[ ]" 1
206 1 21 PHE HA 1 21 PHE HB3 . . 2.830 2.554 2.554 2.554 . 0 0 "[ ]" 1
207 1 21 PHE HB2 1 22 GLY H . . 4.320 3.027 3.027 3.027 . 0 0 "[ ]" 1
208 1 21 PHE HB2 1 23 LYS H . . 3.830 2.720 2.720 2.720 . 0 0 "[ ]" 1
209 1 21 PHE HB2 1 23 LYS QG . . 5.420 2.334 2.334 2.334 . 0 0 "[ ]" 1
210 1 21 PHE HB3 1 23 LYS H . . 4.690 3.828 3.828 3.828 . 0 0 "[ ]" 1
211 1 21 PHE HB3 1 23 LYS QG . . 5.110 2.440 2.440 2.440 . 0 0 "[ ]" 1
212 1 22 GLY H 1 23 LYS H . . 3.050 2.395 2.395 2.395 . 0 0 "[ ]" 1
213 1 22 GLY QA 1 23 LYS H . . 4.110 2.891 2.891 2.891 . 0 0 "[ ]" 1
214 1 23 LYS H 1 23 LYS HB2 . . 2.740 2.358 2.358 2.358 . 0 0 "[ ]" 1
215 1 23 LYS H 1 23 LYS HB3 . . 3.480 3.560 3.560 3.560 0.080 1 0 "[ ]" 1
216 1 23 LYS H 1 23 LYS HG2 . . 5.250 2.673 2.673 2.673 . 0 0 "[ ]" 1
217 1 23 LYS H 1 23 LYS HG3 . . 5.250 3.250 3.250 3.250 . 0 0 "[ ]" 1
218 1 23 LYS H 1 23 LYS QG . . 4.440 2.556 2.556 2.556 . 0 0 "[ ]" 1
219 1 23 LYS HA 1 24 THR H . . 2.740 2.501 2.501 2.501 . 0 0 "[ ]" 1
220 1 23 LYS HB2 1 23 LYS QD . . 3.370 3.164 3.164 3.164 . 0 0 "[ ]" 1
221 1 23 LYS HB2 1 24 THR H . . 4.230 3.691 3.691 3.691 . 0 0 "[ ]" 1
222 1 23 LYS HB2 1 35 CYS HB2 . . 4.970 4.177 4.177 4.177 . 0 0 "[ ]" 1
223 1 23 LYS HB2 1 35 CYS HB3 . . 2.650 2.636 2.636 2.636 . 0 0 "[ ]" 1
224 1 23 LYS HB3 1 24 THR H . . 3.170 2.448 2.448 2.448 . 0 0 "[ ]" 1
225 1 23 LYS HB3 1 25 ASN H . . 3.210 2.980 2.980 2.980 . 0 0 "[ ]" 1
226 1 23 LYS HB3 1 35 CYS HB3 . . 3.610 3.211 3.211 3.211 . 0 0 "[ ]" 1
227 1 23 LYS HB3 1 36 PHE H . . 4.040 2.938 2.938 2.938 . 0 0 "[ ]" 1
228 1 23 LYS HG2 1 36 PHE H . . 5.500 5.470 5.470 5.470 . 0 0 "[ ]" 1
229 1 23 LYS HG3 1 36 PHE H . . 5.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
230 1 23 LYS QG 1 24 THR H . . 6.380 4.201 4.201 4.201 . 0 0 "[ ]" 1
231 1 23 LYS QG 1 35 CYS HB3 . . 4.400 2.508 2.508 2.508 . 0 0 "[ ]" 1
232 1 23 LYS QD 1 24 THR H . . 6.380 3.383 3.383 3.383 . 0 0 "[ ]" 1
233 1 24 THR H 1 24 THR HB . . 3.550 3.472 3.472 3.472 . 0 0 "[ ]" 1
234 1 24 THR H 1 24 THR MG . . 3.990 2.392 2.392 2.392 . 0 0 "[ ]" 1
235 1 24 THR H 1 25 ASN H . . 2.800 2.462 2.462 2.462 . 0 0 "[ ]" 1
236 1 24 THR HA 1 24 THR HB . . 2.900 2.612 2.612 2.612 . 0 0 "[ ]" 1
237 1 24 THR HA 1 25 ASN H . . 3.650 3.573 3.573 3.573 . 0 0 "[ ]" 1
238 1 24 THR HB 1 25 ASN H . . 4.110 3.718 3.718 3.718 . 0 0 "[ ]" 1
239 1 24 THR MG 1 25 ASN H . . 6.370 4.077 4.077 4.077 . 0 0 "[ ]" 1
240 1 25 ASN H 1 25 ASN HB2 . . 3.550 3.294 3.294 3.294 . 0 0 "[ ]" 1
241 1 25 ASN H 1 25 ASN HB3 . . 3.080 3.015 3.015 3.015 . 0 0 "[ ]" 1
242 1 25 ASN H 1 25 ASN HD21 . . 5.380 5.283 5.283 5.283 . 0 0 "[ ]" 1
243 1 25 ASN H 1 36 PHE H . . 3.610 3.258 3.258 3.258 . 0 0 "[ ]" 1
244 1 25 ASN HA 1 25 ASN HB2 . . 2.930 2.571 2.571 2.571 . 0 0 "[ ]" 1
245 1 25 ASN HA 1 26 GLY H . . 2.860 2.487 2.487 2.487 . 0 0 "[ ]" 1
246 1 25 ASN HB3 1 26 GLY H . . 3.580 3.585 3.585 3.585 0.005 1 0 "[ ]" 1
247 1 25 ASN HB3 1 36 PHE H . . 4.910 4.418 4.418 4.418 . 0 0 "[ ]" 1
248 1 25 ASN HB3 1 36 PHE QD . . 6.630 3.541 3.541 3.541 . 0 0 "[ ]" 1
249 1 26 GLY H 1 27 ARG H . . 4.350 4.432 4.432 4.432 0.082 1 0 "[ ]" 1
250 1 26 GLY HA2 1 27 ARG H . . 2.590 2.409 2.409 2.409 . 0 0 "[ ]" 1
251 1 26 GLY HA2 1 35 CYS HA . . 2.900 2.357 2.357 2.357 . 0 0 "[ ]" 1
252 1 26 GLY HA2 1 36 PHE H . . 3.760 3.185 3.185 3.185 . 0 0 "[ ]" 1
253 1 26 GLY HA3 1 27 ARG H . . 2.960 2.856 2.856 2.856 . 0 0 "[ ]" 1
254 1 26 GLY HA3 1 35 CYS HA . . 3.480 3.133 3.133 3.133 . 0 0 "[ ]" 1
255 1 27 ARG H 1 33 CYS HA . . 4.720 4.260 4.260 4.260 . 0 0 "[ ]" 1
256 1 27 ARG H 1 34 ASP H . . 3.050 2.675 2.675 2.675 . 0 0 "[ ]" 1
257 1 27 ARG H 1 34 ASP HB2 . . 5.500 4.886 4.886 4.886 . 0 0 "[ ]" 1
258 1 27 ARG H 1 34 ASP HB3 . . 4.850 3.505 3.505 3.505 . 0 0 "[ ]" 1
259 1 27 ARG H 1 35 CYS HA . . 4.350 3.688 3.688 3.688 . 0 0 "[ ]" 1
260 1 27 ARG H 1 36 PHE QE . . 7.620 2.799 2.799 2.799 . 0 0 "[ ]" 1
261 1 27 ARG HA 1 28 CYS H . . 2.520 2.335 2.335 2.335 . 0 0 "[ ]" 1
262 1 27 ARG QB 1 29 VAL MG2 . . 6.260 2.816 2.816 2.816 . 0 0 "[ ]" 1
263 1 27 ARG QB 1 36 PHE QE . . 7.880 2.212 2.212 2.212 . 0 0 "[ ]" 1
264 1 28 CYS H 1 28 CYS HB2 . . 3.050 2.485 2.485 2.485 . 0 0 "[ ]" 1
265 1 28 CYS H 1 28 CYS HB3 . . 2.900 2.593 2.593 2.593 . 0 0 "[ ]" 1
266 1 28 CYS H 1 29 VAL MG2 . . 6.530 4.264 4.264 4.264 . 0 0 "[ ]" 1
267 1 28 CYS HA 1 28 CYS HB2 . . 2.960 2.534 2.534 2.534 . 0 0 "[ ]" 1
268 1 28 CYS HA 1 29 VAL H . . 2.430 2.261 2.261 2.261 . 0 0 "[ ]" 1
269 1 28 CYS HA 1 29 VAL MG2 . . 6.530 3.870 3.870 3.870 . 0 0 "[ ]" 1
270 1 28 CYS HA 1 34 ASP H . . 3.700 3.403 3.403 3.403 . 0 0 "[ ]" 1
271 1 29 VAL H 1 29 VAL HB . . 3.020 2.367 2.367 2.367 . 0 0 "[ ]" 1
272 1 29 VAL H 1 32 PHE H . . 3.300 3.333 3.333 3.333 0.033 1 0 "[ ]" 1
273 1 29 VAL H 1 33 CYS HA . . 3.610 3.150 3.150 3.150 . 0 0 "[ ]" 1
274 1 29 VAL HA 1 30 ASN H . . 2.400 2.197 2.197 2.197 . 0 0 "[ ]" 1
275 1 29 VAL HA 1 31 GLY H . . 5.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
276 1 29 VAL HB 1 34 ASP HB2 . . 4.420 2.708 2.708 2.708 . 0 0 "[ ]" 1
277 1 29 VAL MG1 1 30 ASN H . . 4.880 3.171 3.171 3.171 . 0 0 "[ ]" 1
278 1 29 VAL MG1 1 30 ASN HB2 . 3.000 4.820 2.948 2.948 2.948 0.052 1 0 "[ ]" 1
279 1 29 VAL MG1 1 30 ASN HD21 . . 6.530 2.971 2.971 2.971 . 0 0 "[ ]" 1
280 1 29 VAL MG1 1 30 ASN HD22 . . 6.530 2.882 2.882 2.882 . 0 0 "[ ]" 1
281 1 29 VAL MG1 1 34 ASP HB2 . . 6.120 3.810 3.810 3.810 . 0 0 "[ ]" 1
282 1 29 VAL MG2 1 30 ASN H . . 6.530 4.165 4.165 4.165 . 0 0 "[ ]" 1
283 1 29 VAL MG2 1 34 ASP H . . 6.340 3.428 3.428 3.428 . 0 0 "[ ]" 1
284 1 29 VAL MG2 1 34 ASP HB2 . . 4.610 2.688 2.688 2.688 . 0 0 "[ ]" 1
285 1 29 VAL MG2 1 34 ASP HB3 . . 4.110 2.381 2.381 2.381 . 0 0 "[ ]" 1
286 1 30 ASN H 1 30 ASN HA . . 2.460 2.166 2.166 2.166 . 0 0 "[ ]" 1
287 1 30 ASN H 1 31 GLY H . . 3.170 2.679 2.679 2.679 . 0 0 "[ ]" 1
288 1 30 ASN HA 1 30 ASN HB3 . . 2.960 2.494 2.494 2.494 . 0 0 "[ ]" 1
289 1 30 ASN HA 1 31 GLY H . . 2.990 2.974 2.974 2.974 . 0 0 "[ ]" 1
290 1 31 GLY H 1 31 GLY HA2 . . 2.590 2.292 2.292 2.292 . 0 0 "[ ]" 1
291 1 31 GLY H 1 31 GLY HA3 . . 2.860 2.903 2.903 2.903 0.043 1 0 "[ ]" 1
292 1 31 GLY H 1 32 PHE H . . 2.960 2.406 2.406 2.406 . 0 0 "[ ]" 1
293 1 31 GLY HA2 1 32 PHE H . . 3.330 3.278 3.278 3.278 . 0 0 "[ ]" 1
294 1 31 GLY HA3 1 32 PHE H . . 3.450 3.426 3.426 3.426 . 0 0 "[ ]" 1
295 1 32 PHE H 1 32 PHE HB2 . . 2.930 2.576 2.576 2.576 . 0 0 "[ ]" 1
296 1 32 PHE H 1 32 PHE HB3 . . 3.760 3.718 3.718 3.718 . 0 0 "[ ]" 1
297 1 32 PHE H 1 33 CYS H . . 4.450 4.411 4.411 4.411 . 0 0 "[ ]" 1
298 1 32 PHE HA 1 32 PHE HB3 . . 2.830 2.593 2.593 2.593 . 0 0 "[ ]" 1
299 1 32 PHE HA 1 33 CYS H . . 2.490 2.325 2.325 2.325 . 0 0 "[ ]" 1
300 1 32 PHE HB2 1 33 CYS H . . 4.110 4.065 4.065 4.065 . 0 0 "[ ]" 1
301 1 32 PHE HB3 1 33 CYS H . . 3.050 2.965 2.965 2.965 . 0 0 "[ ]" 1
302 1 33 CYS H 1 33 CYS HB2 . . 2.680 2.418 2.418 2.418 . 0 0 "[ ]" 1
303 1 33 CYS H 1 33 CYS HB3 . . 3.480 3.562 3.562 3.562 0.082 1 0 "[ ]" 1
304 1 33 CYS HA 1 33 CYS HB3 . . 2.860 2.495 2.495 2.495 . 0 0 "[ ]" 1
305 1 33 CYS HA 1 34 ASP H . . 2.400 2.283 2.283 2.283 . 0 0 "[ ]" 1
306 1 33 CYS HB2 1 34 ASP H . . 4.690 4.180 4.180 4.180 . 0 0 "[ ]" 1
307 1 34 ASP H 1 34 ASP HB2 . . 3.030 3.030 3.030 3.030 . 0 0 "[ ]" 1
308 1 34 ASP H 1 34 ASP HB3 . . 2.960 2.635 2.635 2.635 . 0 0 "[ ]" 1
309 1 34 ASP HA 1 34 ASP HB2 . . 3.020 2.515 2.515 2.515 . 0 0 "[ ]" 1
310 1 34 ASP HA 1 35 CYS H . . 2.430 2.287 2.287 2.287 . 0 0 "[ ]" 1
311 1 35 CYS H 1 35 CYS HB2 . . 2.900 2.593 2.593 2.593 . 0 0 "[ ]" 1
312 1 35 CYS H 1 35 CYS HB3 . . 3.640 3.706 3.706 3.706 0.066 1 0 "[ ]" 1
313 1 35 CYS HA 1 35 CYS HB3 . . 2.740 2.433 2.433 2.433 . 0 0 "[ ]" 1
314 1 35 CYS HA 1 36 PHE H . . 2.520 2.310 2.310 2.310 . 0 0 "[ ]" 1
315 1 35 CYS HB2 1 36 PHE H . . 4.380 3.971 3.971 3.971 . 0 0 "[ ]" 1
316 1 35 CYS HB3 1 36 PHE H . . 3.360 2.992 2.992 2.992 . 0 0 "[ ]" 1
317 1 36 PHE H 1 36 PHE HB2 . . 4.070 3.866 3.866 3.866 . 0 0 "[ ]" 1
318 1 36 PHE H 1 36 PHE HB3 . . 3.730 3.459 3.459 3.459 . 0 0 "[ ]" 1
319 1 36 PHE HA 1 36 PHE HB2 . . 2.740 2.575 2.575 2.575 . 0 0 "[ ]" 1
320 1 36 PHE HA 1 36 PHE HB3 . . 2.590 2.460 2.460 2.460 . 0 0 "[ ]" 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 49
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.477
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.0954
_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 2 PRO 0.029 0.029 1 0 "[ ]"
1 3 THR 0.123 0.123 1 0 "[ ]"
1 4 ASP 0.145 0.145 1 0 "[ ]"
1 5 ILE 0.145 0.145 1 0 "[ ]"
1 6 LYS 0.087 0.087 1 0 "[ ]"
1 7 CYS 0.000 0.000 . 0 "[ ]"
1 9 GLU 0.000 0.000 . 0 "[ ]"
1 11 TYR 0.000 0.000 . 0 "[ ]"
1 12 GLN 0.000 0.000 . 0 "[ ]"
1 13 CYS 0.000 0.000 . 0 "[ ]"
1 15 PRO 0.000 0.000 . 0 "[ ]"
1 16 VAL 0.000 0.000 . 0 "[ ]"
1 20 ARG 0.000 0.000 . 0 "[ ]"
1 21 PHE 0.123 0.123 1 0 "[ ]"
1 22 GLY 0.000 0.000 . 0 "[ ]"
1 23 LYS 0.000 0.000 . 0 "[ ]"
1 24 THR 0.000 0.000 . 0 "[ ]"
1 25 ASN 0.000 0.000 . 0 "[ ]"
1 26 GLY 0.093 0.093 1 0 "[ ]"
1 29 VAL 0.000 0.000 . 0 "[ ]"
1 30 ASN 0.000 0.000 . 0 "[ ]"
1 32 PHE 0.087 0.087 1 0 "[ ]"
1 33 CYS 0.000 0.000 . 0 "[ ]"
1 34 ASP 0.029 0.029 1 0 "[ ]"
1 35 CYS 0.000 0.000 . 0 "[ ]"
1 36 PHE 0.093 0.093 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 34 ASP HB2 . 3.000 . 2.971 2.971 2.971 0.029 1 0 "[ ]" 2
2 1 2 PRO HB2 1 32 PHE HB2 . 3.000 . 5.301 5.301 5.301 . 0 0 "[ ]" 2
3 1 2 PRO HB3 1 32 PHE HB2 . 3.000 . 5.456 5.456 5.456 . 0 0 "[ ]" 2
4 1 3 THR H 1 32 PHE HB3 . 3.000 . 3.783 3.783 3.783 . 0 0 "[ ]" 2
5 1 3 THR MG 1 21 PHE HE2 . 3.000 . 2.877 2.877 2.877 0.123 1 0 "[ ]" 2
6 1 3 THR MG 1 21 PHE HE1 . 3.000 . 4.994 4.994 4.994 . 0 0 "[ ]" 2
7 1 4 ASP H 1 5 ILE HG13 . 3.000 . 2.855 2.855 2.855 0.145 1 0 "[ ]" 2
8 1 5 ILE MD 1 20 ARG HE . 3.000 . 4.841 4.841 4.841 . 0 0 "[ ]" 2
9 1 6 LYS HB2 1 32 PHE HE1 . 3.000 . 2.913 2.913 2.913 0.087 1 0 "[ ]" 2
10 1 6 LYS HB2 1 32 PHE HE2 . 3.000 . 6.666 6.666 6.666 . 0 0 "[ ]" 2
11 1 6 LYS HD2 1 7 CYS H . 3.000 . 5.065 5.065 5.065 . 0 0 "[ ]" 2
12 1 6 LYS HD2 1 7 CYS HA . 3.000 . 6.712 6.712 6.712 . 0 0 "[ ]" 2
13 1 6 LYS HD3 1 7 CYS H . 3.000 . 4.981 4.981 4.981 . 0 0 "[ ]" 2
14 1 6 LYS HD3 1 7 CYS HA . 3.000 . 5.876 5.876 5.876 . 0 0 "[ ]" 2
15 1 9 GLU H 1 11 TYR HE1 . 3.000 . 7.274 7.274 7.274 . 0 0 "[ ]" 2
16 1 9 GLU H 1 11 TYR HE2 . 3.000 . 5.234 5.234 5.234 . 0 0 "[ ]" 2
17 1 9 GLU HB3 1 11 TYR HB3 . 3.000 . 4.344 4.344 4.344 . 0 0 "[ ]" 2
18 1 12 GLN HA 1 15 PRO HG2 . 3.000 . 3.741 3.741 3.741 . 0 0 "[ ]" 2
19 1 13 CYS HB3 1 33 CYS HA . 3.000 . 3.662 3.662 3.662 . 0 0 "[ ]" 2
20 1 16 VAL MG1 1 33 CYS HB2 . 3.000 . 4.199 4.199 4.199 . 0 0 "[ ]" 2
21 1 16 VAL MG1 1 33 CYS HB3 . 3.000 . 3.973 3.973 3.973 . 0 0 "[ ]" 2
22 1 20 ARG HG2 1 21 PHE HD1 . 3.000 . 3.229 3.229 3.229 . 0 0 "[ ]" 2
23 1 20 ARG HG2 1 21 PHE HE1 . 3.000 . 3.464 3.464 3.464 . 0 0 "[ ]" 2
24 1 20 ARG HG2 1 21 PHE HE2 . 3.000 . 4.693 4.693 4.693 . 0 0 "[ ]" 2
25 1 20 ARG HG2 1 21 PHE HD2 . 3.000 . 4.522 4.522 4.522 . 0 0 "[ ]" 2
26 1 20 ARG HG3 1 21 PHE HD1 . 3.000 . 4.891 4.891 4.891 . 0 0 "[ ]" 2
27 1 20 ARG HG3 1 21 PHE HE1 . 3.000 . 4.862 4.862 4.862 . 0 0 "[ ]" 2
28 1 20 ARG HG3 1 21 PHE HE2 . 3.000 . 5.919 5.919 5.919 . 0 0 "[ ]" 2
29 1 20 ARG HG3 1 21 PHE HD2 . 3.000 . 5.943 5.943 5.943 . 0 0 "[ ]" 2
30 1 21 PHE HB3 1 23 LYS HD2 . 3.000 . 4.841 4.841 4.841 . 0 0 "[ ]" 2
31 1 21 PHE HB3 1 23 LYS HD3 . 3.000 . 4.978 4.978 4.978 . 0 0 "[ ]" 2
32 1 21 PHE HB3 1 23 LYS HE2 . 3.000 . 3.615 3.615 3.615 . 0 0 "[ ]" 2
33 1 21 PHE HB3 1 23 LYS HE3 . 3.000 . 3.430 3.430 3.430 . 0 0 "[ ]" 2
34 1 22 GLY H 1 23 LYS HD2 . 3.000 . 7.068 7.068 7.068 . 0 0 "[ ]" 2
35 1 23 LYS HD2 1 24 THR H . 3.000 . 4.359 4.359 4.359 . 0 0 "[ ]" 2
36 1 23 LYS HD3 1 24 THR H . 3.000 . 3.524 3.524 3.524 . 0 0 "[ ]" 2
37 1 23 LYS HD3 1 35 CYS HB2 . 3.000 . 5.133 5.133 5.133 . 0 0 "[ ]" 2
38 1 23 LYS HE2 1 35 CYS HB2 . 3.000 . 5.362 5.362 5.362 . 0 0 "[ ]" 2
39 1 23 LYS HE3 1 36 PHE HA . 3.000 . 4.455 4.455 4.455 . 0 0 "[ ]" 2
40 1 24 THR MG 1 25 ASN HD21 . 3.000 . 7.068 7.068 7.068 . 0 0 "[ ]" 2
41 1 24 THR MG 1 25 ASN HD22 . 3.000 . 8.175 8.175 8.175 . 0 0 "[ ]" 2
42 1 25 ASN HA 1 25 ASN HD22 . 3.000 . 4.701 4.701 4.701 . 0 0 "[ ]" 2
43 1 26 GLY HA2 1 36 PHE HE1 . 3.000 . 2.907 2.907 2.907 0.093 1 0 "[ ]" 2
44 1 26 GLY HA2 1 36 PHE HE2 . 3.000 . 5.364 5.364 5.364 . 0 0 "[ ]" 2
45 1 29 VAL HB 1 34 ASP HB3 . 3.000 . 3.593 3.593 3.593 . 0 0 "[ ]" 2
46 1 30 ASN HA 1 30 ASN HD22 . 3.000 . 4.798 4.798 4.798 . 0 0 "[ ]" 2
47 1 30 ASN HB3 1 32 PHE HB2 . 3.000 . 5.283 5.283 5.283 . 0 0 "[ ]" 2
48 1 30 ASN HB3 1 32 PHE HD1 . 3.000 . 8.089 8.089 8.089 . 0 0 "[ ]" 2
49 1 30 ASN HB3 1 32 PHE HD2 . 3.000 . 4.011 4.011 4.011 . 0 0 "[ ]" 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 9
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 0.650
_Distance_constraint_stats_list.Viol_max 0.090
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0723
_Distance_constraint_stats_list.Viol_average_violations_only 0.0723
_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 CYS 0.218 0.090 1 0 "[ ]"
1 13 CYS 0.222 0.077 1 0 "[ ]"
1 17 CYS 0.210 0.086 1 0 "[ ]"
1 28 CYS 0.218 0.090 1 0 "[ ]"
1 33 CYS 0.222 0.077 1 0 "[ ]"
1 35 CYS 0.210 0.086 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 CYS CB 1 28 CYS SG . 3.000 3.100 3.190 3.190 3.190 0.090 1 0 "[ ]" 3
2 1 7 CYS SG 1 28 CYS CB . 3.000 3.100 3.170 3.170 3.170 0.070 1 0 "[ ]" 3
3 1 7 CYS SG 1 28 CYS SG . . 2.100 2.158 2.158 2.158 0.058 1 0 "[ ]" 3
4 1 13 CYS CB 1 33 CYS SG . 3.000 3.100 3.171 3.171 3.171 0.071 1 0 "[ ]" 3
5 1 13 CYS SG 1 33 CYS CB . 3.000 3.100 3.177 3.177 3.177 0.077 1 0 "[ ]" 3
6 1 13 CYS SG 1 33 CYS SG . . 2.100 2.174 2.174 2.174 0.074 1 0 "[ ]" 3
7 1 17 CYS CB 1 35 CYS SG . 3.000 3.100 3.179 3.179 3.179 0.079 1 0 "[ ]" 3
8 1 17 CYS SG 1 35 CYS CB . 3.000 3.100 3.186 3.186 3.186 0.086 1 0 "[ ]" 3
9 1 17 CYS SG 1 35 CYS SG . . 2.100 1.954 1.954 1.954 0.046 1 0 "[ ]" 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 62
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.164
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0119
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0411
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 0.000 0.000 . 0 "[ ]"
1 3 THR 0.000 0.000 . 0 "[ ]"
1 5 ILE 0.000 0.000 . 0 "[ ]"
1 7 CYS 0.000 0.000 . 0 "[ ]"
1 8 SER 0.000 0.000 . 0 "[ ]"
1 9 GLU 0.116 0.062 1 0 "[ ]"
1 10 SER 0.048 0.047 1 0 "[ ]"
1 12 GLN 0.116 0.062 1 0 "[ ]"
1 13 CYS 0.000 0.000 . 0 "[ ]"
1 14 PHE 0.001 0.001 1 0 "[ ]"
1 16 VAL 0.000 0.000 . 0 "[ ]"
1 17 CYS 0.000 0.000 . 0 "[ ]"
1 18 LYS 0.000 0.000 . 0 "[ ]"
1 20 ARG 0.000 0.000 . 0 "[ ]"
1 21 PHE 0.000 0.000 . 0 "[ ]"
1 22 GLY 0.000 0.000 . 0 "[ ]"
1 25 ASN 0.000 0.000 . 0 "[ ]"
1 26 GLY 0.000 0.000 . 0 "[ ]"
1 27 ARG 0.000 0.000 . 0 "[ ]"
1 28 CYS 0.047 0.047 1 0 "[ ]"
1 29 VAL 0.000 0.000 . 0 "[ ]"
1 31 GLY 0.000 0.000 . 0 "[ ]"
1 32 PHE 0.000 0.000 . 0 "[ ]"
1 33 CYS 0.000 0.000 . 0 "[ ]"
1 34 ASP 0.000 0.000 . 0 "[ ]"
1 35 CYS 0.000 0.000 . 0 "[ ]"
1 36 PHE 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 THR N 1 33 CYS O . 2.600 3.300 2.924 2.924 2.924 . 0 0 "[ ]" 4
2 1 3 THR H 1 33 CYS C . 2.600 3.500 3.274 3.274 3.274 . 0 0 "[ ]" 4
3 1 3 THR H 1 33 CYS O . . 2.200 2.057 2.057 2.057 . 0 0 "[ ]" 4
4 1 3 THR OG1 1 5 ILE N . 2.600 3.400 3.130 3.130 3.130 . 0 0 "[ ]" 4
5 1 3 THR OG1 1 5 ILE H . . 2.500 2.133 2.133 2.133 . 0 0 "[ ]" 4
6 1 7 CYS N 1 31 GLY O . 2.600 3.300 3.055 3.055 3.055 . 0 0 "[ ]" 4
7 1 7 CYS H 1 31 GLY C . 2.600 3.500 3.044 3.044 3.044 . 0 0 "[ ]" 4
8 1 7 CYS H 1 31 GLY O . . 2.200 2.126 2.126 2.126 . 0 0 "[ ]" 4
9 1 8 SER N 1 12 GLN OE1 . 2.600 3.400 2.837 2.837 2.837 . 0 0 "[ ]" 4
10 1 8 SER H 1 12 GLN OE1 . . 2.300 1.926 1.926 1.926 . 0 0 "[ ]" 4
11 1 9 GLU N 1 12 GLN OE1 . 2.600 3.400 3.262 3.262 3.262 . 0 0 "[ ]" 4
12 1 9 GLU H 1 12 GLN OE1 . . 2.300 2.354 2.354 2.354 0.054 1 0 "[ ]" 4
13 1 9 GLU O 1 12 GLN N . 2.700 3.400 3.369 3.369 3.369 . 0 0 "[ ]" 4
14 1 9 GLU C 1 12 GLN H . 2.600 3.500 2.974 2.974 2.974 . 0 0 "[ ]" 4
15 1 9 GLU O 1 12 GLN H . . 2.400 2.462 2.462 2.462 0.062 1 0 "[ ]" 4
16 1 10 SER O 1 13 CYS N . 2.700 3.400 2.896 2.896 2.896 . 0 0 "[ ]" 4
17 1 10 SER C 1 13 CYS H . 2.600 3.500 2.670 2.670 2.670 . 0 0 "[ ]" 4
18 1 10 SER O 1 13 CYS H . . 2.400 2.002 2.002 2.002 . 0 0 "[ ]" 4
19 1 10 SER O 1 14 PHE N . 2.600 3.300 3.145 3.145 3.145 . 0 0 "[ ]" 4
20 1 10 SER C 1 14 PHE H . 2.600 3.500 3.427 3.427 3.427 . 0 0 "[ ]" 4
21 1 10 SER O 1 14 PHE H . . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 4
22 1 13 CYS O 1 17 CYS N . 2.600 3.300 2.738 2.738 2.738 . 0 0 "[ ]" 4
23 1 13 CYS C 1 17 CYS H . 2.600 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 4
24 1 13 CYS O 1 17 CYS H . . 2.300 1.864 1.864 1.864 . 0 0 "[ ]" 4
25 1 14 PHE O 1 18 LYS N . 2.600 3.300 3.065 3.065 3.065 . 0 0 "[ ]" 4
26 1 14 PHE C 1 18 LYS H . 2.600 3.500 3.151 3.151 3.151 . 0 0 "[ ]" 4
27 1 14 PHE O 1 18 LYS H . . 2.300 2.159 2.159 2.159 . 0 0 "[ ]" 4
28 1 16 VAL O 1 20 ARG N . 2.600 3.300 2.860 2.860 2.860 . 0 0 "[ ]" 4
29 1 16 VAL C 1 20 ARG H . 2.600 3.500 2.938 2.938 2.938 . 0 0 "[ ]" 4
30 1 16 VAL O 1 20 ARG H . . 2.300 1.923 1.923 1.923 . 0 0 "[ ]" 4
31 1 17 CYS O 1 21 PHE N . 2.600 3.300 2.905 2.905 2.905 . 0 0 "[ ]" 4
32 1 17 CYS C 1 21 PHE H . 2.600 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 4
33 1 17 CYS O 1 21 PHE H . . 2.300 2.066 2.066 2.066 . 0 0 "[ ]" 4
34 1 17 CYS O 1 22 GLY N . 2.600 3.300 2.834 2.834 2.834 . 0 0 "[ ]" 4
35 1 17 CYS C 1 22 GLY H . 2.600 3.500 3.180 3.180 3.180 . 0 0 "[ ]" 4
36 1 17 CYS O 1 22 GLY H . . 2.300 2.047 2.047 2.047 . 0 0 "[ ]" 4
37 1 25 ASN OD1 1 26 GLY N . 2.600 3.400 2.777 2.777 2.777 . 0 0 "[ ]" 4
38 1 25 ASN OD1 1 26 GLY H . . 2.400 2.035 2.035 2.035 . 0 0 "[ ]" 4
39 1 25 ASN H 1 36 PHE C . 2.600 3.500 3.249 3.249 3.249 . 0 0 "[ ]" 4
40 1 27 ARG N 1 34 ASP O . 2.600 3.300 2.941 2.941 2.941 . 0 0 "[ ]" 4
41 1 27 ARG H 1 34 ASP C . 2.600 3.500 3.104 3.104 3.104 . 0 0 "[ ]" 4
42 1 27 ARG H 1 34 ASP O . . 2.200 2.011 2.011 2.011 . 0 0 "[ ]" 4
43 1 10 SER OG 1 28 CYS N . 2.600 3.400 3.447 3.447 3.447 0.047 1 0 "[ ]" 4
44 1 10 SER OG 1 28 CYS H . . 2.500 2.451 2.451 2.451 . 0 0 "[ ]" 4
45 1 29 VAL N 1 32 PHE O . 2.700 3.400 2.719 2.719 2.719 . 0 0 "[ ]" 4
46 1 29 VAL H 1 32 PHE C . 2.600 3.500 3.054 3.054 3.054 . 0 0 "[ ]" 4
47 1 29 VAL H 1 32 PHE O . . 2.400 1.930 1.930 1.930 . 0 0 "[ ]" 4
48 1 29 VAL O 1 32 PHE N . 2.700 3.400 2.963 2.963 2.963 . 0 0 "[ ]" 4
49 1 29 VAL C 1 32 PHE H . 2.600 3.500 2.673 2.673 2.673 . 0 0 "[ ]" 4
50 1 29 VAL O 1 32 PHE H . . 2.400 2.028 2.028 2.028 . 0 0 "[ ]" 4
51 1 5 ILE O 1 33 CYS N . 2.600 3.300 2.896 2.896 2.896 . 0 0 "[ ]" 4
52 1 5 ILE C 1 33 CYS H . 2.600 3.500 3.075 3.075 3.075 . 0 0 "[ ]" 4
53 1 5 ILE O 1 33 CYS H . . 2.200 1.992 1.992 1.992 . 0 0 "[ ]" 4
54 1 27 ARG O 1 34 ASP N . 2.600 3.300 2.823 2.823 2.823 . 0 0 "[ ]" 4
55 1 27 ARG C 1 34 ASP H . 2.600 3.500 2.986 2.986 2.986 . 0 0 "[ ]" 4
56 1 27 ARG O 1 34 ASP H . . 2.200 1.883 1.883 1.883 . 0 0 "[ ]" 4
57 1 1 ARG O 1 35 CYS N . 2.600 3.300 2.872 2.872 2.872 . 0 0 "[ ]" 4
58 1 1 ARG C 1 35 CYS H . 2.600 3.500 3.076 3.076 3.076 . 0 0 "[ ]" 4
59 1 1 ARG O 1 35 CYS H . . 2.200 1.919 1.919 1.919 . 0 0 "[ ]" 4
60 1 25 ASN O 1 36 PHE N . 2.600 3.300 2.984 2.984 2.984 . 0 0 "[ ]" 4
61 1 25 ASN C 1 36 PHE H . 2.600 3.500 3.214 3.214 3.214 . 0 0 "[ ]" 4
62 1 25 ASN O 1 36 PHE H . . 2.200 1.995 1.995 1.995 . 0 0 "[ ]" 4
stop_
save_