NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
383557 |
1jzu   |
4664 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jzu
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 262
_Distance_constraint_stats_list.Viol_count 410
_Distance_constraint_stats_list.Viol_total 1760.711
_Distance_constraint_stats_list.Viol_max 0.989
_Distance_constraint_stats_list.Viol_rms 0.0797
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0168
_Distance_constraint_stats_list.Viol_average_violations_only 0.2147
_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 PRO 0.284 0.100 7 0 "[ . 1 . 2]"
1 5 ASP 0.284 0.100 7 0 "[ . 1 . 2]"
1 6 ARG 0.206 0.078 1 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.542 0.120 18 0 "[ . 1 . 2]"
1 9 ILE 3.634 0.379 18 0 "[ . 1 . 2]"
1 10 ALA 1.933 0.231 19 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TRP 5.567 0.379 18 0 "[ . 1 . 2]"
1 14 TYR 0.359 0.156 18 0 "[ . 1 . 2]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 5.101 0.878 9 5 "[ * ** +1 .- 2]"
1 20 SER 5.223 0.735 16 6 "[ *. * **+- 2]"
1 21 ASN 8.273 0.878 9 6 "[ * ** +1* .- 2]"
1 22 THR 0.049 0.032 5 0 "[ . 1 . 2]"
1 23 GLU 0.049 0.032 5 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.366 0.144 7 0 "[ . 1 . 2]"
1 32 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.203 0.144 7 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 8.962 0.818 17 7 "[ * -*** * + 2]"
1 39 ILE 3.218 0.989 2 2 "[ + . - 1 . 2]"
1 40 SER 5.665 0.989 2 2 "[ + . - 1 . 2]"
1 41 PHE 1.213 0.138 7 0 "[ . 1 . 2]"
1 44 GLU 1.953 0.182 7 0 "[ . 1 . 2]"
1 45 ASP 1.953 0.182 7 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 2.741 0.350 15 0 "[ . 1 . 2]"
1 50 SER 6.503 0.818 17 7 "[ * -*** * + 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 2.967 0.372 18 0 "[ . 1 . 2]"
1 61 LYS 2.967 0.372 18 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 SER 0.933 0.325 1 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 TYR 2.373 0.354 7 0 "[ . 1 . 2]"
1 78 SER 0.704 0.231 9 0 "[ . 1 . 2]"
1 79 GLU 3.077 0.354 7 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.039 0.039 8 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 THR 0.750 0.157 4 0 "[ . 1 . 2]"
1 91 ASP 1.105 0.691 2 1 "[ + . 1 . 2]"
1 92 TYR 0.236 0.157 4 0 "[ . 1 . 2]"
1 93 LYS 0.542 0.120 18 0 "[ . 1 . 2]"
1 94 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 TYR 1.120 0.255 6 0 "[ . 1 . 2]"
1 96 ALA 0.514 0.151 12 0 "[ . 1 . 2]"
1 97 VAL 5.295 0.557 6 1 "[ .+ 1 . 2]"
1 98 ILE 0.215 0.091 19 0 "[ . 1 . 2]"
1 99 TYR 6.102 0.490 14 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.170 0.097 6 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.170 0.097 6 0 "[ . 1 . 2]"
1 105 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 1.879 0.491 16 0 "[ . 1 . 2]"
1 108 THR 1.879 0.491 16 0 "[ . 1 . 2]"
1 109 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 11.608 0.557 6 1 "[ .+ 1 . 2]"
1 113 ARG 0.261 0.261 6 0 "[ . 1 . 2]"
1 114 LEU 0.261 0.261 6 0 "[ . 1 . 2]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ARG 2.482 0.691 2 1 "[ + . 1 . 2]"
1 118 SER 0.883 0.296 15 0 "[ . 1 . 2]"
1 119 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.296 0.296 15 0 "[ . 1 . 2]"
1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 9.165 0.568 17 4 "[ - . * * . + 2]"
1 126 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 9.165 0.568 17 4 "[ - . * * . + 2]"
1 129 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LYS 0.260 0.134 4 0 "[ . 1 . 2]"
1 132 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLY 0.260 0.134 4 0 "[ . 1 . 2]"
1 135 GLU 2.516 0.164 12 0 "[ . 1 . 2]"
1 136 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ASN 0.788 0.445 16 0 "[ . 1 . 2]"
1 138 TYR 4.682 0.637 15 3 "[ . 1- + *]"
1 139 THR 4.107 0.637 15 3 "[ . 1- + *]"
1 140 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 GLU 3.448 0.588 11 1 "[ . 1+ . 2]"
1 142 MET 0.351 0.055 20 0 "[ . 1 . 2]"
1 143 VAL 3.785 0.735 16 6 "[ *. * **+- 2]"
1 145 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 PRO 0.365 0.200 5 0 "[ . 1 . 2]"
1 148 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 GLU 8.835 0.841 11 10 "[ *- .** *1+* ** * 2]"
1 151 GLU 0.119 0.119 5 0 "[ . 1 . 2]"
1 152 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 THR 8.716 0.841 11 10 "[ *- .** *1+* ** * 2]"
1 154 VAL 0.365 0.200 5 0 "[ . 1 . 2]"
1 155 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 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 1 138 TYR H 1 139 THR HB 3.000 . 6.000 5.893 4.075 6.637 0.637 15 3 "[ . 1- + *]" 1
2 1 65 THR HA 1 65 THR HB 3.000 . 4.100 3.019 3.011 3.027 . 0 0 "[ . 1 . 2]" 1
3 1 65 THR HB 1 65 THR MG 2.100 . 2.700 2.091 2.069 2.119 . 0 0 "[ . 1 . 2]" 1
4 1 50 SER HA 1 65 THR HB 3.500 . 6.000 5.088 4.680 5.673 . 0 0 "[ . 1 . 2]" 1
5 1 69 THR H 1 69 THR HB 3.900 . 5.800 3.236 2.495 3.813 . 0 0 "[ . 1 . 2]" 1
6 1 69 THR HB 1 69 THR MG 3.200 . 4.500 2.087 2.068 2.120 . 0 0 "[ . 1 . 2]" 1
7 1 69 THR HB 1 70 SER H 3.100 . 4.300 3.368 2.348 4.044 . 0 0 "[ . 1 . 2]" 1
8 1 108 THR H 1 108 THR HB 2.500 . 3.300 2.775 2.524 3.087 . 0 0 "[ . 1 . 2]" 1
9 1 108 THR HB 1 109 LEU HA 2.600 . 6.000 5.161 4.677 5.730 . 0 0 "[ . 1 . 2]" 1
10 1 108 THR HB 1 108 THR MG 2.200 . 2.800 2.100 2.073 2.118 . 0 0 "[ . 1 . 2]" 1
11 1 90 THR HB 1 92 TYR H 3.000 . 4.100 3.935 3.644 4.257 0.157 4 0 "[ . 1 . 2]" 1
12 1 90 THR HB 1 90 THR MG 2.300 . 2.900 2.100 2.075 2.120 . 0 0 "[ . 1 . 2]" 1
13 1 89 ASP HA 1 90 THR HB 2.800 . 6.000 5.063 4.296 5.378 . 0 0 "[ . 1 . 2]" 1
14 1 94 SER HA 1 94 SER HB2 2.500 . 3.300 2.515 2.442 3.005 . 0 0 "[ . 1 . 2]" 1
15 1 116 SER HA 1 116 SER HB3 2.700 . 3.600 2.771 2.427 3.035 . 0 0 "[ . 1 . 2]" 1
16 1 116 SER HB3 1 121 VAL MG2 2.500 . 5.300 2.645 2.175 3.237 . 0 0 "[ . 1 . 2]" 1
17 1 39 ILE HG13 1 40 SER HB3 4.200 . 6.000 5.668 5.342 6.989 0.989 2 1 "[ + . 1 . 2]" 1
18 1 40 SER HA 1 40 SER HB3 2.300 . 3.000 2.918 2.457 3.035 0.035 20 0 "[ . 1 . 2]" 1
19 1 40 SER HB3 1 41 PHE H 3.000 . 4.100 3.981 3.119 4.238 0.138 7 0 "[ . 1 . 2]" 1
20 1 40 SER H 1 40 SER HB2 2.700 . 3.600 3.454 2.960 3.985 0.385 16 0 "[ . 1 . 2]" 1
21 1 40 SER HB2 1 41 PHE H 3.000 . 4.100 4.006 3.187 4.221 0.121 15 0 "[ . 1 . 2]" 1
22 1 40 SER HA 1 40 SER HB2 2.900 . 4.000 2.510 2.355 3.033 . 0 0 "[ . 1 . 2]" 1
23 1 39 ILE HG12 1 40 SER HB3 4.300 . 6.000 5.327 4.908 6.912 0.912 7 1 "[ . + 1 . 2]" 1
24 1 40 SER H 1 40 SER HB3 3.000 . 4.200 3.119 2.780 3.965 . 0 0 "[ . 1 . 2]" 1
25 1 123 PRO HA 1 127 ALA H 2.700 . 6.000 3.553 3.406 3.767 . 0 0 "[ . 1 . 2]" 1
26 1 122 SER HA 1 123 PRO HA 3.500 . 5.000 4.415 4.408 4.430 . 0 0 "[ . 1 . 2]" 1
27 1 118 SER HB2 1 120 GLU H 3.600 . 5.200 3.313 2.968 4.389 . 0 0 "[ . 1 . 2]" 1
28 1 118 SER HA 1 118 SER HB2 2.600 . 3.500 3.000 2.446 3.032 . 0 0 "[ . 1 . 2]" 1
29 1 128 ILE H 1 128 ILE HA 2.400 . 3.100 2.786 2.750 2.804 . 0 0 "[ . 1 . 2]" 1
30 1 128 ILE HA 1 131 LYS H 2.700 . 3.600 3.164 2.921 3.560 . 0 0 "[ . 1 . 2]" 1
31 1 128 ILE HA 1 128 ILE MG 2.600 . 3.400 2.405 2.340 2.454 . 0 0 "[ . 1 . 2]" 1
32 1 128 ILE HA 1 128 ILE MD 3.600 . 5.200 3.801 3.654 3.836 . 0 0 "[ . 1 . 2]" 1
33 1 128 ILE HA 1 130 ARG HB3 3.600 . 6.000 5.201 4.902 5.480 . 0 0 "[ . 1 . 2]" 1
34 1 128 ILE HA 1 128 ILE HG12 2.500 . 3.300 2.490 2.311 2.556 . 0 0 "[ . 1 . 2]" 1
35 1 50 SER HB3 1 51 TYR H 4.500 . 6.000 3.758 2.969 4.433 . 0 0 "[ . 1 . 2]" 1
36 1 50 SER H 1 50 SER HB2 3.300 . 4.700 2.611 2.434 3.610 . 0 0 "[ . 1 . 2]" 1
37 1 50 SER HA 1 50 SER HB2 2.300 . 3.000 2.745 2.468 3.036 0.036 6 0 "[ . 1 . 2]" 1
38 1 122 SER H 1 122 SER HB2 2.900 . 3.900 2.587 2.467 3.590 . 0 0 "[ . 1 . 2]" 1
39 1 122 SER HA 1 122 SER HB2 2.200 . 2.800 2.456 2.420 2.482 . 0 0 "[ . 1 . 2]" 1
40 1 122 SER HB2 1 125 ALA MB 3.600 . 5.300 4.236 3.975 4.672 . 0 0 "[ . 1 . 2]" 1
41 1 70 SER H 1 70 SER HB3 3.000 . 4.100 3.222 2.711 4.016 . 0 0 "[ . 1 . 2]" 1
42 1 122 SER HA 1 122 SER HB3 2.400 . 3.100 2.997 2.455 3.032 . 0 0 "[ . 1 . 2]" 1
43 1 122 SER H 1 122 SER HB3 2.200 . 2.800 2.523 2.430 2.596 . 0 0 "[ . 1 . 2]" 1
44 1 70 SER HB2 1 71 ASP H 4.000 . 6.000 3.632 2.773 4.652 . 0 0 "[ . 1 . 2]" 1
45 1 70 SER HA 1 70 SER HB3 2.600 . 3.500 2.613 2.329 3.029 . 0 0 "[ . 1 . 2]" 1
46 1 157 VAL HA 1 157 VAL HB 2.600 . 3.500 2.739 2.422 3.026 . 0 0 "[ . 1 . 2]" 1
47 1 157 VAL HA 1 157 VAL QG 3.300 . 4.700 2.170 2.051 2.336 . 0 0 "[ . 1 . 2]" 1
48 1 70 SER HA 1 70 SER HB2 2.100 . 2.700 2.545 2.415 3.025 0.325 1 0 "[ . 1 . 2]" 1
49 1 70 SER H 1 70 SER HB2 3.100 . 4.300 3.545 2.736 3.924 . 0 0 "[ . 1 . 2]" 1
50 1 20 SER QB 1 111 MET QB 3.300 . 4.600 2.730 2.141 3.716 . 0 0 "[ . 1 . 2]" 1
51 1 107 ARG HG2 1 108 THR HA 3.500 . 5.000 4.765 3.912 5.491 0.491 16 0 "[ . 1 . 2]" 1
52 1 108 THR HA 1 108 THR MG 2.600 . 3.500 2.792 2.367 3.227 . 0 0 "[ . 1 . 2]" 1
53 1 4 PRO HA 1 4 PRO HG3 2.700 . 3.600 2.962 2.904 3.012 . 0 0 "[ . 1 . 2]" 1
54 1 4 PRO HA 1 5 ASP H 2.800 . 3.800 2.866 2.197 3.487 . 0 0 "[ . 1 . 2]" 1
55 1 4 PRO HA 1 5 ASP HB3 4.700 . 6.000 5.189 4.489 6.100 0.100 7 0 "[ . 1 . 2]" 1
56 1 7 SER H 1 7 SER QB 2.900 . 3.900 2.418 2.256 2.519 . 0 0 "[ . 1 . 2]" 1
57 1 97 VAL HA 1 112 MET QB 4.000 . 6.000 6.230 6.024 6.557 0.557 6 1 "[ .+ 1 . 2]" 1
58 1 9 ILE HA 1 9 ILE HG12 3.900 . 5.800 2.868 2.224 3.404 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE HA 1 13 TRP HD1 2.800 . 6.000 6.175 5.913 6.379 0.379 18 0 "[ . 1 . 2]" 1
60 1 97 VAL HA 1 98 ILE MG 3.700 . 8.500 3.441 3.167 3.828 . 0 0 "[ . 1 . 2]" 1
61 1 97 VAL HA 1 97 VAL MG2 2.300 . 4.000 3.197 3.189 3.207 . 0 0 "[ . 1 . 2]" 1
62 1 147 PRO HA 1 147 PRO QD 3.300 . 4.700 3.302 2.951 3.518 . 0 0 "[ . 1 . 2]" 1
63 1 9 ILE HA 1 9 ILE HB 2.800 . 3.800 3.016 2.988 3.027 . 0 0 "[ . 1 . 2]" 1
64 1 129 PHE HA 1 129 PHE QB 2.600 . 3.400 2.359 2.259 2.414 . 0 0 "[ . 1 . 2]" 1
65 1 97 VAL HA 1 115 TYR H 2.900 . 4.000 2.819 2.391 3.177 . 0 0 "[ . 1 . 2]" 1
66 1 64 THR HA 1 64 THR MG 3.100 . 4.300 2.598 2.384 3.229 . 0 0 "[ . 1 . 2]" 1
67 1 87 VAL HA 1 98 ILE HG12 6.000 . 6.000 3.611 2.020 5.151 . 0 0 "[ . 1 . 2]" 1
68 1 129 PHE HA 1 133 ALA MB 4.200 . 6.000 4.750 4.098 5.546 . 0 0 "[ . 1 . 2]" 1
69 1 22 THR HA 1 23 GLU HA 3.300 . 4.700 4.487 4.301 4.732 0.032 5 0 "[ . 1 . 2]" 1
70 1 15 VAL HA 1 16 VAL H 2.700 . 3.600 2.103 2.053 2.169 . 0 0 "[ . 1 . 2]" 1
71 1 15 VAL HA 1 15 VAL QG 2.600 . 3.400 2.348 2.075 2.562 . 0 0 "[ . 1 . 2]" 1
72 1 15 VAL HA 1 35 ALA MB 5.100 . 6.000 4.338 3.736 5.214 . 0 0 "[ . 1 . 2]" 1
73 1 51 TYR H 1 65 THR HA 3.300 . 4.700 3.803 3.503 4.149 . 0 0 "[ . 1 . 2]" 1
74 1 48 LYS QD 1 65 THR HA 5.000 . 6.000 3.591 2.556 4.017 . 0 0 "[ . 1 . 2]" 1
75 1 75 VAL HA 1 75 VAL MG2 2.600 . 3.400 2.356 2.088 2.533 . 0 0 "[ . 1 . 2]" 1
76 1 7 SER H 1 7 SER HA 2.800 . 3.800 2.754 2.739 2.763 . 0 0 "[ . 1 . 2]" 1
77 1 7 SER HA 1 7 SER QB 2.200 . 2.800 2.313 2.184 2.382 . 0 0 "[ . 1 . 2]" 1
78 1 101 THR HA 1 102 ARG H 2.400 . 3.100 2.169 2.138 2.224 . 0 0 "[ . 1 . 2]" 1
79 1 92 TYR HA 1 92 TYR QB 2.300 . 3.000 2.403 2.301 2.487 . 0 0 "[ . 1 . 2]" 1
80 1 121 VAL HA 1 122 SER HA 3.600 . 5.300 4.424 4.338 4.646 . 0 0 "[ . 1 . 2]" 1
81 1 154 VAL HA 1 154 VAL HB 2.200 . 2.800 2.489 2.412 2.645 . 0 0 "[ . 1 . 2]" 1
82 1 154 VAL HA 1 154 VAL QG 2.100 . 2.700 2.233 1.954 2.368 . 0 0 "[ . 1 . 2]" 1
83 1 121 VAL HA 1 121 VAL MG2 2.500 . 3.300 2.319 2.286 2.405 . 0 0 "[ . 1 . 2]" 1
84 1 121 VAL H 1 121 VAL HA 2.800 . 3.800 2.875 2.768 2.947 . 0 0 "[ . 1 . 2]" 1
85 1 90 THR HA 1 90 THR HG1 3.200 . 4.500 3.030 2.334 3.585 . 0 0 "[ . 1 . 2]" 1
86 1 49 VAL HA 1 49 VAL MG1 2.800 . 3.800 3.205 3.192 3.226 . 0 0 "[ . 1 . 2]" 1
87 1 116 SER HB3 1 121 VAL HA 4.900 . 6.000 4.939 4.169 5.816 . 0 0 "[ . 1 . 2]" 1
88 1 90 THR HA 1 92 TYR H 3.600 . 5.200 3.485 3.184 3.707 . 0 0 "[ . 1 . 2]" 1
89 1 90 THR HA 1 96 ALA MB 3.100 . 4.300 3.966 1.830 4.451 0.151 12 0 "[ . 1 . 2]" 1
90 1 90 THR HA 1 90 THR MG 2.700 . 3.600 2.426 2.319 3.201 . 0 0 "[ . 1 . 2]" 1
91 1 139 THR HA 1 140 ASP QB 4.500 . 6.000 4.920 4.107 5.562 . 0 0 "[ . 1 . 2]" 1
92 1 139 THR HA 1 139 THR HB 2.200 . 2.800 2.453 2.320 3.014 0.214 15 0 "[ . 1 . 2]" 1
93 1 90 THR HA 1 92 TYR QD 3.900 . 5.800 3.827 2.805 5.818 0.018 14 0 "[ . 1 . 2]" 1
94 1 130 ARG HA 1 130 ARG QG 2.800 . 3.800 2.596 2.483 3.067 . 0 0 "[ . 1 . 2]" 1
95 1 130 ARG HA 1 133 ALA MB 2.700 . 3.600 2.283 2.106 2.507 . 0 0 "[ . 1 . 2]" 1
96 1 130 ARG HA 1 131 LYS H 4.400 . 6.000 3.520 3.484 3.580 . 0 0 "[ . 1 . 2]" 1
97 1 129 PHE HB3 1 130 ARG HA 3.300 . 5.700 4.298 4.151 4.609 . 0 0 "[ . 1 . 2]" 1
98 1 130 ARG HA 1 131 LYS QB 3.100 . 6.000 5.212 5.140 5.491 . 0 0 "[ . 1 . 2]" 1
99 1 80 GLU HA 1 81 ALA MB 4.300 . 6.000 4.185 3.942 4.525 . 0 0 "[ . 1 . 2]" 1
100 1 44 GLU H 1 44 GLU HA 2.900 . 3.900 2.544 2.255 2.876 . 0 0 "[ . 1 . 2]" 1
101 1 44 GLU HA 1 45 ASP H 2.600 . 3.400 3.287 2.699 3.582 0.182 7 0 "[ . 1 . 2]" 1
102 1 78 SER HA 1 79 GLU HA 4.100 . 6.000 4.474 4.371 4.542 . 0 0 "[ . 1 . 2]" 1
103 1 44 GLU HA 1 44 GLU QG 2.700 . 3.600 2.612 2.412 3.364 . 0 0 "[ . 1 . 2]" 1
104 1 135 GLU HA 1 136 ARG QB 5.800 . 6.000 5.350 5.118 5.545 . 0 0 "[ . 1 . 2]" 1
105 1 77 TYR QD 1 79 GLU HA 5.500 . 7.000 5.883 4.744 7.323 0.323 3 0 "[ . 1 . 2]" 1
106 1 79 GLU H 1 79 GLU HA 2.900 . 4.000 2.878 2.815 2.940 . 0 0 "[ . 1 . 2]" 1
107 1 151 GLU HA 1 152 CYS H 4.000 . 6.000 3.048 2.172 3.519 . 0 0 "[ . 1 . 2]" 1
108 1 141 GLU HA 1 142 MET H 2.600 . 3.500 3.496 3.381 3.555 0.055 20 0 "[ . 1 . 2]" 1
109 1 27 ARG H 1 27 ARG HA 2.500 . 3.300 2.796 2.743 2.841 . 0 0 "[ . 1 . 2]" 1
110 1 6 ARG HA 1 6 ARG QD 4.400 . 6.000 3.574 1.922 4.530 0.078 1 0 "[ . 1 . 2]" 1
111 1 135 GLU HA 1 135 GLU QB 1.800 . 2.200 2.322 2.173 2.364 0.164 12 0 "[ . 1 . 2]" 1
112 1 135 GLU HA 1 135 GLU HG3 3.300 . 4.700 3.595 3.208 3.782 . 0 0 "[ . 1 . 2]" 1
113 1 69 THR HA 1 70 SER HA 4.000 . 6.000 4.466 4.422 4.569 . 0 0 "[ . 1 . 2]" 1
114 1 150 GLU H 1 151 GLU HA 3.200 . 6.000 5.503 4.954 6.119 0.119 5 0 "[ . 1 . 2]" 1
115 1 140 ASP HA 1 140 ASP QB 2.300 . 2.900 2.337 2.184 2.417 . 0 0 "[ . 1 . 2]" 1
116 1 8 GLU HA 1 9 ILE H 2.800 . 3.800 3.518 3.476 3.555 . 0 0 "[ . 1 . 2]" 1
117 1 8 GLU H 1 8 GLU HA 2.800 . 3.800 2.725 2.689 2.762 . 0 0 "[ . 1 . 2]" 1
118 1 8 GLU HA 1 8 GLU HB3 2.000 . 2.500 2.449 2.346 2.483 . 0 0 "[ . 1 . 2]" 1
119 1 8 GLU HA 1 93 LYS QB 4.000 . 6.000 5.651 4.220 6.120 0.120 18 0 "[ . 1 . 2]" 1
120 1 147 PRO HA 1 148 ARG HA 5.200 . 6.000 4.444 4.309 5.026 . 0 0 "[ . 1 . 2]" 1
121 1 132 LEU HA 1 132 LEU QD 4.500 . 6.000 2.496 2.007 3.334 . 0 0 "[ . 1 . 2]" 1
122 1 148 ARG HA 1 148 ARG QB 2.200 . 2.800 2.261 2.157 2.394 . 0 0 "[ . 1 . 2]" 1
123 1 148 ARG HA 1 148 ARG QD 5.000 . 6.000 3.855 1.989 4.535 . 0 0 "[ . 1 . 2]" 1
124 1 117 ARG HA 1 117 ARG HB3 2.200 . 2.800 2.574 2.407 3.008 0.208 19 0 "[ . 1 . 2]" 1
125 1 77 TYR HA 1 77 TYR QD 3.200 . 4.500 2.847 1.923 3.706 . 0 0 "[ . 1 . 2]" 1
126 1 32 MET HA 1 33 LYS H 3.100 . 4.300 2.408 2.099 3.458 . 0 0 "[ . 1 . 2]" 1
127 1 32 MET HA 1 32 MET QB 3.200 . 4.500 2.312 2.150 2.449 . 0 0 "[ . 1 . 2]" 1
128 1 99 TYR H 1 99 TYR HA 2.600 . 3.400 2.927 2.894 2.945 . 0 0 "[ . 1 . 2]" 1
129 1 76 TYR HA 1 77 TYR H 2.500 . 3.300 2.184 2.132 2.304 . 0 0 "[ . 1 . 2]" 1
130 1 138 TYR HA 1 138 TYR QD 2.600 . 3.500 2.270 1.798 3.153 . 0 0 "[ . 1 . 2]" 1
131 1 137 ASN HD21 1 138 TYR HA 2.600 . 6.000 5.417 4.275 6.445 0.445 16 0 "[ . 1 . 2]" 1
132 1 76 TYR HA 1 76 TYR QD 3.000 . 4.100 2.817 2.171 3.690 . 0 0 "[ . 1 . 2]" 1
133 1 138 TYR HA 1 138 TYR HB3 2.600 . 3.400 2.887 2.518 3.030 . 0 0 "[ . 1 . 2]" 1
134 1 30 ASP HA 1 30 ASP HB2 2.100 . 2.700 2.464 2.446 2.513 . 0 0 "[ . 1 . 2]" 1
135 1 20 SER HA 1 143 VAL H 4.200 . 6.000 5.094 2.665 6.735 0.735 16 6 "[ *. * **+- 2]" 1
136 1 20 SER HA 1 111 MET QB 3.000 . 6.000 3.995 2.667 5.528 . 0 0 "[ . 1 . 2]" 1
137 1 31 LYS HA 1 32 MET H 2.800 . 3.800 2.832 2.135 3.514 . 0 0 "[ . 1 . 2]" 1
138 1 31 LYS HA 1 33 LYS QB 2.900 . 6.000 5.228 4.322 6.144 0.144 7 0 "[ . 1 . 2]" 1
139 1 31 LYS HA 1 31 LYS QE 4.300 . 6.000 4.313 3.793 4.964 . 0 0 "[ . 1 . 2]" 1
140 1 31 LYS HA 1 31 LYS QB 2.000 . 2.500 2.341 2.178 2.439 . 0 0 "[ . 1 . 2]" 1
141 1 31 LYS HA 1 31 LYS QG 2.500 . 3.300 2.747 2.367 3.345 0.045 8 0 "[ . 1 . 2]" 1
142 1 28 GLU H 1 28 GLU HA 3.000 . 4.100 2.789 2.706 2.885 . 0 0 "[ . 1 . 2]" 1
143 1 95 TYR HB2 1 116 SER HA 5.600 . 6.000 3.999 3.038 4.792 . 0 0 "[ . 1 . 2]" 1
144 1 46 GLU HA 1 47 LEU H 2.200 . 2.800 2.176 2.123 2.243 . 0 0 "[ . 1 . 2]" 1
145 1 46 GLU HA 1 46 GLU QB 2.300 . 2.900 2.353 2.169 2.439 . 0 0 "[ . 1 . 2]" 1
146 1 46 GLU HA 1 67 LYS QG 4.500 . 6.000 4.537 3.445 5.546 . 0 0 "[ . 1 . 2]" 1
147 1 110 HIS H 1 111 MET HA 2.400 . 6.000 5.244 5.050 5.370 . 0 0 "[ . 1 . 2]" 1
148 1 105 ASP HA 1 105 ASP HB3 2.700 . 3.600 2.603 2.411 3.027 . 0 0 "[ . 1 . 2]" 1
149 1 105 ASP HA 1 105 ASP HB2 2.600 . 3.400 2.759 2.434 3.032 . 0 0 "[ . 1 . 2]" 1
150 1 111 MET H 1 111 MET HA 2.700 . 3.600 2.867 2.838 2.898 . 0 0 "[ . 1 . 2]" 1
151 1 149 GLN QB 1 150 GLU HA 2.600 . 6.000 4.549 4.054 5.192 . 0 0 "[ . 1 . 2]" 1
152 1 150 GLU HA 1 150 GLU HB3 2.500 . 3.300 2.435 2.357 2.549 . 0 0 "[ . 1 . 2]" 1
153 1 150 GLU HA 1 153 THR MG 4.100 . 6.000 5.021 3.145 6.066 0.066 7 0 "[ . 1 . 2]" 1
154 1 150 GLU HA 1 153 THR H 3.300 . 6.000 6.419 5.829 6.841 0.841 11 10 "[ *- .** *1+* ** * 2]" 1
155 1 127 ALA HA 1 130 ARG H 4.300 . 6.000 3.522 3.382 3.651 . 0 0 "[ . 1 . 2]" 1
156 1 127 ALA HA 1 130 ARG HB2 2.000 . 6.000 3.774 3.608 3.940 . 0 0 "[ . 1 . 2]" 1
157 1 127 ALA HA 1 129 PHE HB3 4.100 . 6.000 5.277 5.019 5.488 . 0 0 "[ . 1 . 2]" 1
158 1 36 MET HA 1 36 MET QB 2.600 . 3.500 2.362 2.328 2.391 . 0 0 "[ . 1 . 2]" 1
159 1 48 LYS HA 1 48 LYS QD 3.700 . 5.400 3.126 2.437 3.217 . 0 0 "[ . 1 . 2]" 1
160 1 71 ASP H 1 71 ASP HA 3.000 . 4.100 2.921 2.839 2.956 . 0 0 "[ . 1 . 2]" 1
161 1 71 ASP HA 1 71 ASP HB3 2.800 . 3.800 2.711 2.449 3.029 . 0 0 "[ . 1 . 2]" 1
162 1 71 ASP HA 1 71 ASP HB2 2.900 . 3.900 2.613 2.314 3.026 . 0 0 "[ . 1 . 2]" 1
163 1 15 VAL QG 1 36 MET HA 4.800 . 6.000 3.328 2.836 4.689 . 0 0 "[ . 1 . 2]" 1
164 1 104 LYS HA 1 104 LYS QG 3.200 . 4.500 2.864 2.366 3.352 . 0 0 "[ . 1 . 2]" 1
165 1 103 VAL HA 1 104 LYS HA 3.600 . 5.200 4.402 4.365 4.446 . 0 0 "[ . 1 . 2]" 1
166 1 133 ALA HA 1 133 ALA MB 2.400 . 3.100 2.110 2.087 2.128 . 0 0 "[ . 1 . 2]" 1
167 1 113 ARG HA 1 114 LEU H 2.700 . 3.600 2.236 2.155 2.313 . 0 0 "[ . 1 . 2]" 1
168 1 155 ASP HA 1 155 ASP HB3 2.400 . 3.100 2.911 2.433 3.031 . 0 0 "[ . 1 . 2]" 1
169 1 154 VAL MG2 1 155 ASP HA 4.800 . 6.000 4.297 3.932 5.170 . 0 0 "[ . 1 . 2]" 1
170 1 120 GLU HA 1 120 GLU QB 2.300 . 2.900 2.349 2.322 2.414 . 0 0 "[ . 1 . 2]" 1
171 1 120 GLU HA 1 121 VAL MG2 4.800 . 6.000 4.027 3.471 4.402 . 0 0 "[ . 1 . 2]" 1
172 1 120 GLU HA 1 121 VAL MG1 4.300 . 6.000 5.582 5.434 5.727 . 0 0 "[ . 1 . 2]" 1
173 1 137 ASN HA 1 137 ASN HB2 2.800 . 3.800 2.520 2.415 3.024 . 0 0 "[ . 1 . 2]" 1
174 1 136 ARG HA 1 136 ARG QG 2.700 . 3.600 2.720 2.299 3.349 . 0 0 "[ . 1 . 2]" 1
175 1 124 ALA HA 1 124 ALA MB 1.600 . 2.200 2.094 2.086 2.121 . 0 0 "[ . 1 . 2]" 1
176 1 67 LYS HA 1 67 LYS HB2 2.200 . 2.800 2.398 2.316 2.482 . 0 0 "[ . 1 . 2]" 1
177 1 38 ARG HA 1 50 SER HB2 4.000 . 6.000 6.157 5.466 6.818 0.818 17 7 "[ * -*** * + 2]" 1
178 1 113 ARG HA 1 113 ARG QG 2.500 . 3.300 2.394 2.261 2.546 . 0 0 "[ . 1 . 2]" 1
179 1 125 ALA HA 1 126 THR H 5.400 . 6.000 3.558 3.548 3.567 . 0 0 "[ . 1 . 2]" 1
180 1 125 ALA HA 1 128 ILE HB 2.300 . 3.000 3.458 3.379 3.568 0.568 17 4 "[ - . * * . + 2]" 1
181 1 125 ALA HA 1 125 ALA MB 2.000 . 2.500 2.096 2.081 2.125 . 0 0 "[ . 1 . 2]" 1
182 1 125 ALA HA 1 128 ILE MD 2.400 . 5.100 3.876 3.414 4.508 . 0 0 "[ . 1 . 2]" 1
183 1 67 LYS HA 1 67 LYS HB3 2.400 . 3.100 2.727 2.449 3.017 . 0 0 "[ . 1 . 2]" 1
184 1 38 ARG HA 1 49 VAL HB 4.600 . 6.000 6.134 5.972 6.350 0.350 15 0 "[ . 1 . 2]" 1
185 1 14 TYR QE 1 118 SER HA 3.300 . 7.000 5.373 3.551 7.156 0.156 18 0 "[ . 1 . 2]" 1
186 1 118 SER HA 1 118 SER HB3 2.200 . 2.800 2.498 2.465 3.029 0.229 15 0 "[ . 1 . 2]" 1
187 1 45 ASP HA 1 46 GLU H 3.000 . 4.100 2.873 2.639 3.558 . 0 0 "[ . 1 . 2]" 1
188 1 5 ASP HA 1 6 ARG H 2.300 . 2.900 2.149 2.133 2.161 . 0 0 "[ . 1 . 2]" 1
189 1 118 SER HA 1 119 PRO QG 4.400 . 6.000 3.973 3.884 4.128 . 0 0 "[ . 1 . 2]" 1
190 1 114 LEU HA 1 115 TYR H 3.200 . 4.500 2.156 2.108 2.339 . 0 0 "[ . 1 . 2]" 1
191 1 152 CYS H 1 152 CYS HA 2.800 . 3.800 2.851 2.752 2.932 . 0 0 "[ . 1 . 2]" 1
192 1 152 CYS HA 1 153 THR MG 4.000 . 6.000 4.013 3.779 4.332 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU HA 1 19 ALA MB 4.700 . 6.000 3.701 3.621 3.814 . 0 0 "[ . 1 . 2]" 1
194 1 10 ALA H 1 10 ALA HA 3.000 . 4.200 2.845 2.773 2.917 . 0 0 "[ . 1 . 2]" 1
195 1 10 ALA HA 1 39 ILE MD 6.000 . 6.000 3.996 2.699 4.723 . 0 0 "[ . 1 . 2]" 1
196 1 10 ALA HA 1 11 GLY H 2.700 . 3.600 2.177 2.144 2.250 . 0 0 "[ . 1 . 2]" 1
197 1 10 ALA HA 1 13 TRP HD1 4.100 . 6.000 6.084 5.857 6.231 0.231 19 0 "[ . 1 . 2]" 1
198 1 10 ALA HA 1 10 ALA MB 2.200 . 2.800 2.097 2.084 2.131 . 0 0 "[ . 1 . 2]" 1
199 1 17 ALA HA 1 17 ALA MB 2.200 . 2.800 2.091 2.082 2.121 . 0 0 "[ . 1 . 2]" 1
200 1 21 ASN HA 1 21 ASN HB3 2.700 . 3.600 2.456 2.270 2.641 . 0 0 "[ . 1 . 2]" 1
201 1 21 ASN HA 1 21 ASN HB2 2.600 . 3.400 2.911 2.551 3.034 . 0 0 "[ . 1 . 2]" 1
202 1 21 ASN HA 1 141 GLU QG 3.900 . 5.800 5.750 4.301 6.388 0.588 11 1 "[ . 1+ . 2]" 1
203 1 81 ALA H 1 81 ALA HA 2.900 . 3.900 2.721 2.292 2.917 . 0 0 "[ . 1 . 2]" 1
204 1 15 VAL QG 1 147 PRO QD 2.800 . 6.000 5.206 4.565 5.737 . 0 0 "[ . 1 . 2]" 1
205 1 4 PRO HA 1 4 PRO HD2 3.500 . 5.100 3.928 3.919 3.936 . 0 0 "[ . 1 . 2]" 1
206 1 4 PRO HA 1 4 PRO HD3 3.300 . 4.600 3.680 3.648 3.722 . 0 0 "[ . 1 . 2]" 1
207 1 37 ALA HA 1 51 TYR HA 2.100 . 2.700 1.851 1.624 2.131 . 0 0 "[ . 1 . 2]" 1
208 1 37 ALA HA 1 37 ALA MB 2.300 . 3.000 2.101 2.072 2.122 . 0 0 "[ . 1 . 2]" 1
209 1 35 ALA HA 1 35 ALA MB 2.300 . 2.900 2.099 2.062 2.117 . 0 0 "[ . 1 . 2]" 1
210 1 133 ALA H 1 134 GLY QA 5.700 . 6.000 4.477 4.323 4.588 . 0 0 "[ . 1 . 2]" 1
211 1 134 GLY QA 1 135 GLU QB 5.200 . 6.000 4.623 4.406 4.695 . 0 0 "[ . 1 . 2]" 1
212 1 131 LYS HG3 1 134 GLY QA 5.000 . 6.000 5.215 4.209 6.134 0.134 4 0 "[ . 1 . 2]" 1
213 1 133 ALA MB 1 134 GLY QA 4.500 . 6.000 3.550 3.434 3.616 . 0 0 "[ . 1 . 2]" 1
214 1 14 TYR QD 1 117 ARG HA 3.600 . 7.000 4.487 2.701 6.578 . 0 0 "[ . 1 . 2]" 1
215 1 117 ARG HA 1 117 ARG HE 4.200 . 6.000 4.766 3.109 6.050 0.050 2 0 "[ . 1 . 2]" 1
216 1 13 TRP H 1 117 ARG HA 3.000 . 6.000 5.534 5.081 5.970 . 0 0 "[ . 1 . 2]" 1
217 1 14 TYR H 1 117 ARG HA 3.700 . 5.400 3.934 3.355 4.686 . 0 0 "[ . 1 . 2]" 1
218 1 102 ARG HA 1 104 LYS QB 4.600 . 6.000 5.733 5.265 6.097 0.097 6 0 "[ . 1 . 2]" 1
219 1 97 VAL HA 1 99 TYR H 5.500 . 6.000 5.946 5.730 6.255 0.255 7 0 "[ . 1 . 2]" 1
220 1 38 ARG H 1 50 SER HB2 4.900 . 6.000 4.186 3.470 4.884 . 0 0 "[ . 1 . 2]" 1
221 1 50 SER HB2 1 51 TYR H 4.300 . 6.000 4.232 3.774 4.574 . 0 0 "[ . 1 . 2]" 1
222 1 17 ALA MB 1 145 MET HA 3.700 . 5.400 4.531 4.282 4.883 . 0 0 "[ . 1 . 2]" 1
223 1 52 ALA HA 1 52 ALA MB 3.300 . 4.600 2.132 2.128 2.140 . 0 0 "[ . 1 . 2]" 1
224 1 91 ASP HA 1 117 ARG QG 3.400 . 6.000 5.392 4.563 6.691 0.691 2 1 "[ + . 1 . 2]" 1
225 1 113 ARG QG 1 114 LEU HA 3.600 . 5.200 4.089 3.647 5.461 0.261 6 0 "[ . 1 . 2]" 1
226 1 19 ALA HA 1 21 ASN HD22 3.900 . 5.800 5.914 5.147 6.678 0.878 9 5 "[ * ** +1 .- 2]" 1
227 1 76 TYR HA 1 87 VAL HA 3.100 . 6.000 4.994 4.473 5.611 . 0 0 "[ . 1 . 2]" 1
228 1 87 VAL HA 1 97 VAL HA 6.000 . 6.000 5.580 4.843 6.039 0.039 8 0 "[ . 1 . 2]" 1
229 1 52 ALA HA 1 61 LYS HA 5.200 . 6.000 6.137 5.794 6.372 0.372 18 0 "[ . 1 . 2]" 1
230 1 98 ILE HA 1 112 MET HA 4.400 . 6.000 5.877 5.587 6.091 0.091 19 0 "[ . 1 . 2]" 1
231 1 77 TYR HA 1 77 TYR QB 2.600 . 3.400 2.321 2.148 2.531 . 0 0 "[ . 1 . 2]" 1
232 1 99 TYR HA 1 112 MET QB 4.100 . 6.000 3.557 3.067 3.811 . 0 0 "[ . 1 . 2]" 1
233 1 77 TYR HA 1 79 GLU QB 5.000 . 6.000 5.985 5.535 6.354 0.354 7 0 "[ . 1 . 2]" 1
234 1 99 TYR HA 1 100 ALA MB 4.600 . 6.000 3.933 3.857 4.033 . 0 0 "[ . 1 . 2]" 1
235 1 100 ALA HA 1 100 ALA MB 2.300 . 3.000 2.115 2.090 2.128 . 0 0 "[ . 1 . 2]" 1
236 1 45 ASP HA 1 45 ASP HB2 2.700 . 3.600 2.598 2.457 3.034 . 0 0 "[ . 1 . 2]" 1
237 1 45 ASP HA 1 45 ASP HB3 2.500 . 3.300 2.714 2.438 3.037 . 0 0 "[ . 1 . 2]" 1
238 1 63 GLU HA 1 63 GLU QB 2.600 . 3.500 2.275 2.178 2.367 . 0 0 "[ . 1 . 2]" 1
239 1 112 MET HA 1 112 MET QG 2.800 . 3.800 2.362 2.198 2.473 . 0 0 "[ . 1 . 2]" 1
240 1 108 THR HA 1 109 LEU HA 4.100 . 6.000 4.431 4.401 4.450 . 0 0 "[ . 1 . 2]" 1
241 1 109 LEU HA 1 110 HIS HA 4.200 . 6.000 4.381 4.348 4.409 . 0 0 "[ . 1 . 2]" 1
242 1 99 TYR H 1 112 MET HA 3.100 . 4.300 4.572 4.320 4.790 0.490 14 0 "[ . 1 . 2]" 1
243 1 96 ALA H 1 116 SER HA 3.800 . 5.600 2.896 2.313 3.325 . 0 0 "[ . 1 . 2]" 1
244 1 99 TYR HA 1 112 MET H 5.100 . 6.000 4.655 4.481 4.809 . 0 0 "[ . 1 . 2]" 1
245 1 71 ASP H 1 75 VAL HA 4.200 . 6.000 4.060 3.331 5.812 . 0 0 "[ . 1 . 2]" 1
246 1 75 VAL HA 1 76 TYR QR 5.100 . 6.000 4.773 2.913 5.820 . 0 0 "[ . 1 . 2]" 1
247 1 51 TYR QE 1 65 THR HA 2.600 . 6.000 4.941 3.866 5.705 . 0 0 "[ . 1 . 2]" 1
248 1 65 THR H 1 65 THR HB 3.300 . 4.600 2.398 2.322 2.459 . 0 0 "[ . 1 . 2]" 1
249 1 39 ILE HG12 1 40 SER HB2 4.300 . 6.000 5.230 4.862 6.589 0.589 7 1 "[ . + 1 . 2]" 1
250 1 40 SER HB3 1 48 LYS QD 4.400 . 6.000 3.306 2.342 4.716 . 0 0 "[ . 1 . 2]" 1
251 1 70 SER HB3 1 71 ASP H 4.500 . 6.000 3.981 2.874 4.651 . 0 0 "[ . 1 . 2]" 1
252 1 147 PRO HA 1 154 VAL HB 3.800 . 5.600 3.709 1.893 5.800 0.200 5 0 "[ . 1 . 2]" 1
253 1 147 PRO HA 1 148 ARG HB2 4.700 . 6.000 4.039 3.371 5.464 . 0 0 "[ . 1 . 2]" 1
254 1 9 ILE HA 1 9 ILE HG13 3.200 . 4.400 3.611 3.120 3.772 . 0 0 "[ . 1 . 2]" 1
255 1 129 PHE HA 1 129 PHE QD 3.200 . 4.500 2.088 1.936 2.443 . 0 0 "[ . 1 . 2]" 1
256 1 121 VAL MG1 1 123 PRO HA 4.000 . 6.000 4.494 4.390 4.761 . 0 0 "[ . 1 . 2]" 1
257 1 118 SER HB2 1 120 GLU HB2 3.900 . 5.800 4.462 2.980 6.096 0.296 15 0 "[ . 1 . 2]" 1
258 1 78 SER HB3 1 79 GLU QG 5.800 . 6.000 5.552 4.675 6.231 0.231 9 0 "[ . 1 . 2]" 1
259 1 20 SER QB 1 112 MET HA 4.400 . 6.000 5.648 4.567 6.426 0.426 4 0 "[ . 1 . 2]" 1
260 1 20 SER QB 1 21 ASN HD22 5.500 . 6.000 5.617 4.801 6.075 0.075 3 0 "[ . 1 . 2]" 1
261 1 13 TRP HA 1 14 TYR H 2.400 . 3.100 2.213 2.166 2.244 . 0 0 "[ . 1 . 2]" 1
262 1 95 TYR HA 1 117 ARG HE 3.000 . 4.200 4.021 2.786 4.455 0.255 6 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 107
_Distance_constraint_stats_list.Viol_count 383
_Distance_constraint_stats_list.Viol_total 1396.264
_Distance_constraint_stats_list.Viol_max 0.536
_Distance_constraint_stats_list.Viol_rms 0.0868
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0326
_Distance_constraint_stats_list.Viol_average_violations_only 0.1823
_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 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.479 0.255 7 0 "[ . 1 . 2]"
1 9 ILE 1.562 0.388 5 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 4.061 0.331 14 0 "[ . 1 . 2]"
1 13 TRP 7.466 0.388 5 0 "[ . 1 . 2]"
1 14 TYR 5.926 0.418 11 0 "[ . 1 . 2]"
1 15 VAL 9.238 0.534 6 1 "[ .+ 1 . 2]"
1 16 VAL 4.039 0.418 11 0 "[ . 1 . 2]"
1 17 ALA 4.857 0.332 12 0 "[ . 1 . 2]"
1 18 LEU 3.694 0.486 18 0 "[ . 1 . 2]"
1 19 ALA 0.451 0.190 8 0 "[ . 1 . 2]"
1 21 ASN 0.451 0.190 8 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.427 0.186 10 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 6.517 0.534 6 1 "[ .+ 1 . 2]"
1 37 ALA 4.061 0.331 14 0 "[ . 1 . 2]"
1 39 ILE 0.273 0.201 15 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 1.082 0.388 5 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 1.218 0.216 13 0 "[ . 1 . 2]"
1 47 LEU 1.082 0.398 14 0 "[ . 1 . 2]"
1 48 LYS 4.576 0.454 6 0 "[ . 1 . 2]"
1 49 VAL 14.997 0.534 6 1 "[ .+ 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 TYR 1.370 0.201 15 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.427 0.186 10 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 4.303 0.454 6 0 "[ . 1 . 2]"
1 65 THR 1.082 0.398 14 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 1.871 0.229 10 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 3.844 0.454 1 0 "[ . 1 . 2]"
1 75 VAL 3.844 0.454 1 0 "[ . 1 . 2]"
1 79 GLU 3.844 0.454 1 0 "[ . 1 . 2]"
1 80 GLU 0.756 0.186 1 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.916 0.179 3 0 "[ . 1 . 2]"
1 88 LEU 1.364 0.179 3 0 "[ . 1 . 2]"
1 89 ASP 10.030 0.536 4 2 "[ +. 1 . -2]"
1 90 THR 0.125 0.125 12 0 "[ . 1 . 2]"
1 91 ASP 0.412 0.166 9 0 "[ . 1 . 2]"
1 92 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 SER 0.412 0.166 9 0 "[ . 1 . 2]"
1 95 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 4.857 0.332 12 0 "[ . 1 . 2]"
1 97 VAL 14.555 0.536 4 2 "[ +. 1 . -2]"
1 98 ILE 4.781 0.324 18 0 "[ . 1 . 2]"
1 99 TYR 0.797 0.306 16 0 "[ . 1 . 2]"
1 100 ALA 0.544 0.143 11 0 "[ . 1 . 2]"
1 101 THR 1.082 0.398 14 0 "[ . 1 . 2]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 4.926 0.454 1 0 "[ . 1 . 2]"
1 113 ARG 1.317 0.229 10 0 "[ . 1 . 2]"
1 114 LEU 2.939 0.418 11 0 "[ . 1 . 2]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 SER 1.557 0.308 15 0 "[ . 1 . 2]"
1 117 ARG 4.853 0.331 14 0 "[ . 1 . 2]"
1 118 SER 0.455 0.255 7 0 "[ . 1 . 2]"
1 119 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 4.584 0.331 14 0 "[ . 1 . 2]"
1 122 SER 7.107 0.536 4 1 "[ +. 1 . 2]"
1 123 PRO 1.729 0.209 8 0 "[ . 1 . 2]"
1 124 ALA 0.572 0.112 16 0 "[ . 1 . 2]"
1 126 THR 0.523 0.175 18 0 "[ . 1 . 2]"
1 127 ALA 0.616 0.143 11 0 "[ . 1 . 2]"
1 128 ILE 7.446 0.331 14 0 "[ . 1 . 2]"
1 129 PHE 3.199 0.243 3 0 "[ . 1 . 2]"
1 130 ARG 7.105 0.401 4 0 "[ . 1 . 2]"
1 131 LYS 3.080 0.243 3 0 "[ . 1 . 2]"
1 132 LEU 5.377 0.401 4 0 "[ . 1 . 2]"
1 133 ALA 5.896 0.401 4 0 "[ . 1 . 2]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ARG 2.757 0.521 19 1 "[ . 1 . +2]"
1 138 TYR 0.520 0.116 19 0 "[ . 1 . 2]"
1 141 GLU 0.756 0.186 1 0 "[ . 1 . 2]"
1 142 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 VAL 7.107 0.536 4 1 "[ +. 1 . 2]"
1 144 ALA 0.067 0.067 6 0 "[ . 1 . 2]"
1 145 MET 3.860 0.486 18 0 "[ . 1 . 2]"
1 146 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 PRO 0.335 0.228 18 0 "[ . 1 . 2]"
1 148 ARG 3.447 0.453 18 0 "[ . 1 . 2]"
1 150 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 CYS 3.111 0.453 18 0 "[ . 1 . 2]"
1 153 THR 0.335 0.228 18 0 "[ . 1 . 2]"
1 154 VAL 6.805 0.486 18 0 "[ . 1 . 2]"
1 155 ASP 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 89 ASP HA 1 97 VAL HB 3.200 . 6.000 6.355 6.097 6.536 0.536 4 1 "[ +. 1 . 2]" 2
2 1 87 VAL MG2 1 97 VAL HB 3.900 . 5.800 4.628 3.751 5.377 . 0 0 "[ . 1 . 2]" 2
3 1 147 PRO HB3 1 147 PRO QD 3.400 . 4.800 2.848 2.537 3.536 . 0 0 "[ . 1 . 2]" 2
4 1 147 PRO HB2 1 148 ARG H 3.200 . 4.500 3.016 1.672 3.672 0.228 18 0 "[ . 1 . 2]" 2
5 1 89 ASP H 1 97 VAL HB 2.900 . 6.000 6.098 5.733 6.521 0.521 19 1 "[ . 1 . +2]" 2
6 1 147 PRO HB3 1 148 ARG H 3.200 . 4.500 3.114 1.973 3.862 . 0 0 "[ . 1 . 2]" 2
7 1 148 ARG HD2 1 154 VAL HB 2.200 . 6.000 5.954 3.758 6.453 0.453 18 0 "[ . 1 . 2]" 2
8 1 91 ASP HA 1 117 ARG HB2 2.800 . 3.800 2.973 1.804 3.943 0.143 9 0 "[ . 1 . 2]" 2
9 1 91 ASP HA 1 117 ARG HB3 3.400 . 4.900 3.998 2.932 5.066 0.166 9 0 "[ . 1 . 2]" 2
10 1 123 PRO HB2 1 128 ILE HG13 3.600 . 6.000 5.676 5.571 5.816 . 0 0 "[ . 1 . 2]" 2
11 1 6 ARG HB3 1 8 GLU HG2 2.600 . 6.000 5.222 4.813 5.867 . 0 0 "[ . 1 . 2]" 2
12 1 148 ARG H 1 148 ARG HB3 3.100 . 4.300 2.795 2.318 3.338 . 0 0 "[ . 1 . 2]" 2
13 1 8 GLU HB2 1 9 ILE HG12 3.500 . 5.100 4.082 3.156 5.035 . 0 0 "[ . 1 . 2]" 2
14 1 130 ARG HB2 1 132 LEU MD1 3.000 . 4.100 4.369 4.238 4.501 0.401 4 0 "[ . 1 . 2]" 2
15 1 80 GLU HB3 1 81 ALA MB 3.500 . 5.000 3.516 2.982 4.627 . 0 0 "[ . 1 . 2]" 2
16 1 128 ILE HG13 1 129 PHE HA 3.900 . 6.000 6.111 6.010 6.243 0.243 3 0 "[ . 1 . 2]" 2
17 1 80 GLU H 1 80 GLU HB3 2.000 . 2.500 2.488 2.319 2.686 0.186 1 0 "[ . 1 . 2]" 2
18 1 116 SER HB3 1 120 GLU HB3 2.400 . 6.000 3.763 3.087 5.224 . 0 0 "[ . 1 . 2]" 2
19 1 116 SER HB3 1 120 GLU HB2 3.500 . 6.000 4.439 2.978 5.974 . 0 0 "[ . 1 . 2]" 2
20 1 9 ILE HG13 1 13 TRP HD1 3.800 . 5.600 4.356 2.985 5.227 . 0 0 "[ . 1 . 2]" 2
21 1 147 PRO QG 1 148 ARG H 4.100 . 6.000 4.272 3.607 4.700 . 0 0 "[ . 1 . 2]" 2
22 1 123 PRO HB3 1 123 PRO HG2 2.100 . 2.700 2.143 2.114 2.197 . 0 0 "[ . 1 . 2]" 2
23 1 6 ARG HA 1 6 ARG HG3 3.400 . 4.900 3.219 2.373 3.769 . 0 0 "[ . 1 . 2]" 2
24 1 67 LYS H 1 67 LYS HG2 3.200 . 4.400 2.979 2.110 3.795 . 0 0 "[ . 1 . 2]" 2
25 1 46 GLU HB3 1 67 LYS QG 2.400 . 3.100 2.094 1.838 2.347 . 0 0 "[ . 1 . 2]" 2
26 1 48 LYS QG 1 65 THR HB 3.300 . 4.700 3.641 3.096 3.870 . 0 0 "[ . 1 . 2]" 2
27 1 39 ILE HA 1 48 LYS QG 3.500 . 5.100 4.806 3.906 5.144 0.044 18 0 "[ . 1 . 2]" 2
28 1 37 ALA H 1 37 ALA MB 2.700 . 3.600 2.645 2.524 2.742 . 0 0 "[ . 1 . 2]" 2
29 1 15 VAL MG1 1 37 ALA MB 2.500 . 3.300 1.914 1.773 2.050 . 0 0 "[ . 1 . 2]" 2
30 1 17 ALA MB 1 115 TYR H 3.000 . 4.100 3.433 3.036 3.807 . 0 0 "[ . 1 . 2]" 2
31 1 17 ALA MB 1 19 ALA H 4.000 . 6.000 4.659 4.006 4.990 . 0 0 "[ . 1 . 2]" 2
32 1 17 ALA MB 1 97 VAL HA 2.700 . 3.600 3.835 3.778 3.932 0.332 12 0 "[ . 1 . 2]" 2
33 1 13 TRP HB2 1 96 ALA MB 3.400 . 4.900 4.410 3.868 5.066 0.166 14 0 "[ . 1 . 2]" 2
34 1 16 VAL HB 1 17 ALA MB 3.600 . 5.200 4.520 3.836 4.971 . 0 0 "[ . 1 . 2]" 2
35 1 21 ASN HD21 1 22 THR MG 3.000 . 6.000 4.943 3.937 5.924 . 0 0 "[ . 1 . 2]" 2
36 1 95 TYR QD 1 121 VAL MG2 2.900 . 6.000 4.607 2.697 5.882 . 0 0 "[ . 1 . 2]" 2
37 1 11 GLY HA3 1 37 ALA MB 2.400 . 6.000 6.203 6.140 6.331 0.331 14 0 "[ . 1 . 2]" 2
38 1 14 TYR HB3 1 37 ALA MB 2.500 . 6.000 4.933 4.105 5.555 . 0 0 "[ . 1 . 2]" 2
39 1 17 ALA MB 1 129 PHE QD 2.500 . 3.300 2.891 2.198 3.294 . 0 0 "[ . 1 . 2]" 2
40 1 17 ALA MB 1 112 MET QB 3.800 . 5.600 4.739 4.577 4.934 . 0 0 "[ . 1 . 2]" 2
41 1 121 VAL HA 1 121 VAL MG2 2.200 . 2.800 2.140 2.070 2.292 . 0 0 "[ . 1 . 2]" 2
42 1 117 ARG HB2 1 121 VAL MG2 1.900 . 6.000 5.867 5.473 6.175 0.175 18 0 "[ . 1 . 2]" 2
43 1 48 LYS QB 1 64 THR MG 4.100 . 6.000 6.215 6.056 6.454 0.454 6 0 "[ . 1 . 2]" 2
44 1 121 VAL H 1 121 VAL MG2 3.100 . 4.300 2.305 1.834 2.896 0.066 5 0 "[ . 1 . 2]" 2
45 1 16 VAL MG2 1 121 VAL H 2.600 . 6.000 4.302 3.214 5.678 . 0 0 "[ . 1 . 2]" 2
46 1 14 TYR HA 1 16 VAL MG2 4.000 . 6.000 5.461 4.610 6.418 0.418 11 0 "[ . 1 . 2]" 2
47 1 15 VAL HA 1 16 VAL MG2 3.400 . 4.800 4.257 3.393 5.108 0.308 15 0 "[ . 1 . 2]" 2
48 1 16 VAL MG2 1 35 ALA MB 2.600 . 6.000 4.827 3.912 5.394 . 0 0 "[ . 1 . 2]" 2
49 1 19 ALA MB 1 21 ASN H 4.300 . 6.000 4.485 3.991 5.064 . 0 0 "[ . 1 . 2]" 2
50 1 87 VAL MG2 1 98 ILE H 4.300 . 6.000 4.158 3.303 4.929 . 0 0 "[ . 1 . 2]" 2
51 1 19 ALA MB 1 21 ASN HD22 3.300 . 4.700 4.357 3.729 4.890 0.190 8 0 "[ . 1 . 2]" 2
52 1 13 TRP HH2 1 15 VAL QG 3.500 . 5.000 4.723 2.059 5.291 0.291 2 0 "[ . 1 . 2]" 2
53 1 15 VAL QG 1 36 MET HA 4.500 . 6.000 3.275 2.825 4.420 . 0 0 "[ . 1 . 2]" 2
54 1 49 VAL H 1 65 THR MG 3.100 . 4.300 3.277 2.895 3.722 . 0 0 "[ . 1 . 2]" 2
55 1 18 LEU H 1 154 VAL MG2 2.700 . 6.000 3.006 2.293 4.424 . 0 0 "[ . 1 . 2]" 2
56 1 148 ARG QD 1 154 VAL MG2 2.100 . 6.000 5.020 3.780 6.131 0.131 1 0 "[ . 1 . 2]" 2
57 1 13 TRP HZ2 1 49 VAL MG2 3.100 . 4.300 3.422 2.542 4.093 . 0 0 "[ . 1 . 2]" 2
58 1 13 TRP HH2 1 49 VAL MG2 3.100 . 4.300 4.091 2.054 4.468 0.168 18 0 "[ . 1 . 2]" 2
59 1 39 ILE HA 1 49 VAL MG2 3.400 . 4.900 2.497 2.111 2.865 . 0 0 "[ . 1 . 2]" 2
60 1 48 LYS QB 1 65 THR MG 3.200 . 6.000 2.032 1.745 3.157 . 0 0 "[ . 1 . 2]" 2
61 1 49 VAL MG1 1 50 SER H 3.300 . 4.600 3.039 2.845 3.301 . 0 0 "[ . 1 . 2]" 2
62 1 13 TRP HZ2 1 49 VAL MG1 3.600 . 5.200 2.825 2.087 3.706 . 0 0 "[ . 1 . 2]" 2
63 1 46 GLU HB3 1 49 VAL MG1 4.400 . 6.000 5.956 5.609 6.216 0.216 13 0 "[ . 1 . 2]" 2
64 1 88 LEU QD 1 98 ILE HG13 3.900 . 5.800 5.262 3.481 5.943 0.143 11 0 "[ . 1 . 2]" 2
65 1 87 VAL MG1 1 88 LEU H 3.300 . 4.700 2.345 1.822 2.930 0.078 14 0 "[ . 1 . 2]" 2
66 1 87 VAL MG1 1 90 THR H 3.700 . 5.400 4.801 3.030 5.525 0.125 12 0 "[ . 1 . 2]" 2
67 1 87 VAL MG1 1 92 TYR QE 3.400 . 4.800 3.096 2.010 3.525 . 0 0 "[ . 1 . 2]" 2
68 1 87 VAL MG1 1 114 LEU HA 3.700 . 5.400 5.209 4.790 5.579 0.179 3 0 "[ . 1 . 2]" 2
69 1 71 ASP HB3 1 75 VAL MG2 1.800 . 6.000 5.964 2.166 6.454 0.454 1 0 "[ . 1 . 2]" 2
70 1 31 LYS QB 1 53 VAL MG2 1.800 . 6.000 5.193 2.223 6.186 0.186 10 0 "[ . 1 . 2]" 2
71 1 35 ALA MB 1 53 VAL MG2 2.300 . 6.000 3.478 1.723 4.573 . 0 0 "[ . 1 . 2]" 2
72 1 18 LEU H 1 154 VAL MG1 2.800 . 3.800 3.968 3.638 4.286 0.486 18 0 "[ . 1 . 2]" 2
73 1 148 ARG HD2 1 154 VAL MG1 2.400 . 6.000 5.166 3.292 6.301 0.301 5 0 "[ . 1 . 2]" 2
74 1 147 PRO HB2 1 154 VAL MG1 4.100 . 6.000 4.561 3.252 5.332 . 0 0 "[ . 1 . 2]" 2
75 1 7 SER QB 1 10 ALA MB 2.500 . 6.000 3.694 3.069 4.062 . 0 0 "[ . 1 . 2]" 2
76 1 9 ILE H 1 9 ILE MG 3.000 . 4.100 3.293 2.865 3.518 . 0 0 "[ . 1 . 2]" 2
77 1 9 ILE MG 1 41 PHE QE 3.200 . 6.000 2.815 1.902 6.027 0.027 5 0 "[ . 1 . 2]" 2
78 1 9 ILE HG12 1 9 ILE MG 3.200 . 4.500 2.969 2.492 3.115 . 0 0 "[ . 1 . 2]" 2
79 1 97 VAL MG2 1 98 ILE MG 3.400 . 4.900 2.941 2.316 4.198 . 0 0 "[ . 1 . 2]" 2
80 1 98 ILE MG 1 100 ALA HA 4.600 . 6.000 4.797 3.640 5.412 . 0 0 "[ . 1 . 2]" 2
81 1 15 VAL HA 1 16 VAL MG1 3.900 . 5.800 3.937 2.916 5.117 . 0 0 "[ . 1 . 2]" 2
82 1 16 VAL MG1 1 113 ARG QG 3.200 . 6.000 5.791 5.590 6.067 0.067 6 0 "[ . 1 . 2]" 2
83 1 14 TYR HA 1 16 VAL MG1 4.500 . 6.000 5.054 4.118 6.286 0.286 18 0 "[ . 1 . 2]" 2
84 1 123 PRO HB2 1 124 ALA MB 3.100 . 4.300 4.284 4.161 4.412 0.112 16 0 "[ . 1 . 2]" 2
85 1 127 ALA MB 1 129 PHE HA 2.500 . 6.000 5.233 4.901 5.668 . 0 0 "[ . 1 . 2]" 2
86 1 95 TYR QD 1 128 ILE MG 3.800 . 5.600 4.629 4.261 4.876 . 0 0 "[ . 1 . 2]" 2
87 1 97 VAL MG2 1 128 ILE MG 3.100 . 4.300 3.465 2.099 3.868 . 0 0 "[ . 1 . 2]" 2
88 1 129 PHE QE 1 133 ALA MB 3.000 . 4.100 3.899 3.138 4.216 0.116 19 0 "[ . 1 . 2]" 2
89 1 9 ILE H 1 9 ILE MD 4.000 . 6.000 3.516 2.954 4.280 . 0 0 "[ . 1 . 2]" 2
90 1 39 ILE MD 1 39 ILE MG 2.300 . 3.000 1.930 1.760 2.976 . 0 0 "[ . 1 . 2]" 2
91 1 98 ILE H 1 98 ILE MD 2.800 . 3.800 2.782 1.835 4.106 0.306 16 0 "[ . 1 . 2]" 2
92 1 123 PRO HB2 1 128 ILE MD 3.100 . 6.000 6.006 5.714 6.209 0.209 8 0 "[ . 1 . 2]" 2
93 1 89 ASP HA 1 128 ILE MD 2.400 . 6.000 4.463 2.384 5.646 . 0 0 "[ . 1 . 2]" 2
94 1 128 ILE MD 1 129 PHE HA 2.700 . 6.000 5.702 5.622 5.763 . 0 0 "[ . 1 . 2]" 2
95 1 15 VAL HB 1 49 VAL MG1 5.500 . 6.000 6.304 6.148 6.534 0.534 6 1 "[ .+ 1 . 2]" 2
96 1 47 LEU H 1 65 THR MG 4.500 . 6.000 5.864 5.299 6.398 0.398 14 0 "[ . 1 . 2]" 2
97 1 51 TYR HA 1 52 ALA MB 2.400 . 3.100 2.124 2.119 2.130 . 0 0 "[ . 1 . 2]" 2
98 1 9 ILE MG 1 11 GLY HA2 4.500 . 6.000 4.902 4.003 5.759 . 0 0 "[ . 1 . 2]" 2
99 1 8 GLU HG3 1 9 ILE MD 3.500 . 5.000 3.135 1.975 4.329 0.025 12 0 "[ . 1 . 2]" 2
100 1 8 GLU H 1 9 ILE MD 3.300 . 6.000 5.617 4.718 6.255 0.255 7 0 "[ . 1 . 2]" 2
101 1 13 TRP HB2 1 98 ILE MG 4.100 . 6.000 6.162 5.802 6.324 0.324 18 0 "[ . 1 . 2]" 2
102 1 39 ILE H 1 48 LYS QD 4.400 . 6.000 5.359 4.574 6.201 0.201 15 0 "[ . 1 . 2]" 2
103 1 9 ILE HG13 1 13 TRP HH2 3.100 . 4.300 4.220 3.786 4.688 0.388 5 0 "[ . 1 . 2]" 2
104 1 49 VAL MG2 1 67 LYS QE 4.000 . 6.000 5.699 4.748 6.229 0.229 10 0 "[ . 1 . 2]" 2
105 1 13 TRP HB2 1 49 VAL MG2 4.300 . 6.000 3.054 2.215 5.597 . 0 0 "[ . 1 . 2]" 2
106 1 10 ALA HA 1 39 ILE MD 3.700 . 5.400 3.992 2.699 4.717 . 0 0 "[ . 1 . 2]" 2
107 1 98 ILE MD 1 100 ALA HA 4.600 . 6.000 3.574 2.637 4.801 . 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 31
_Distance_constraint_stats_list.Viol_count 152
_Distance_constraint_stats_list.Viol_total 466.296
_Distance_constraint_stats_list.Viol_max 0.606
_Distance_constraint_stats_list.Viol_rms 0.0857
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0376
_Distance_constraint_stats_list.Viol_average_violations_only 0.1534
_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 8 GLU 5.625 0.606 7 1 "[ . + 1 . 2]"
1 9 ILE 9.087 0.380 11 0 "[ . 1 . 2]"
1 10 ALA 2.786 0.330 10 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TRP 2.241 0.365 5 0 "[ . 1 . 2]"
1 14 TYR 0.733 0.365 5 0 "[ . 1 . 2]"
1 17 ALA 0.769 0.355 3 0 "[ . 1 . 2]"
1 19 ALA 0.034 0.019 3 0 "[ . 1 . 2]"
1 30 ASP 0.171 0.131 13 0 "[ . 1 . 2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.103 0.082 3 0 "[ . 1 . 2]"
1 44 GLU 0.367 0.138 7 0 "[ . 1 . 2]"
1 45 ASP 0.737 0.177 7 0 "[ . 1 . 2]"
1 46 GLU 0.370 0.177 7 0 "[ . 1 . 2]"
1 48 LYS 4.895 0.380 11 0 "[ . 1 . 2]"
1 49 VAL 4.895 0.380 11 0 "[ . 1 . 2]"
1 51 TYR 3.636 0.365 5 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 2.903 0.341 12 0 "[ . 1 . 2]"
1 63 GLU 0.034 0.019 3 0 "[ . 1 . 2]"
1 65 THR 0.103 0.082 3 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 2.541 0.568 6 1 "[ .+ 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 2.541 0.568 6 1 "[ .+ 1 . 2]"
1 80 GLU 0.370 0.177 7 0 "[ . 1 . 2]"
1 87 VAL 5.943 0.380 11 0 "[ . 1 . 2]"
1 89 ASP 0.636 0.202 13 0 "[ . 1 . 2]"
1 92 TYR 1.508 0.264 13 0 "[ . 1 . 2]"
1 95 TYR 2.903 0.341 12 0 "[ . 1 . 2]"
1 96 ALA 0.769 0.355 3 0 "[ . 1 . 2]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ILE 0.514 0.126 7 0 "[ . 1 . 2]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASP 0.171 0.131 13 0 "[ . 1 . 2]"
1 106 GLY 0.171 0.131 13 0 "[ . 1 . 2]"
1 112 MET 0.034 0.019 3 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 2.541 0.568 6 1 "[ .+ 1 . 2]"
1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 SER 2.903 0.341 12 0 "[ . 1 . 2]"
1 125 ALA 3.310 0.568 6 1 "[ .+ 1 . 2]"
1 126 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LEU 0.636 0.202 13 0 "[ . 1 . 2]"
1 133 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 GLU 1.595 0.239 14 0 "[ . 1 . 2]"
1 143 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 GLU 4.435 0.606 7 1 "[ . + 1 . 2]"
1 155 ASP 0.652 0.251 4 0 "[ . 1 . 2]"
1 156 GLU 1.019 0.251 4 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 17 ALA MB 1 125 ALA HA 2.700 . 6.000 5.937 5.423 6.355 0.355 3 0 "[ . 1 . 2]" 3
2 1 87 VAL MG1 1 89 ASP HB2 3.100 . 4.300 4.046 2.972 4.502 0.202 13 0 "[ . 1 . 2]" 3
3 1 97 VAL MG1 1 114 LEU QB 4.500 . 6.000 3.310 2.935 3.857 . 0 0 "[ . 1 . 2]" 3
4 1 51 TYR HB2 1 53 VAL HA 3.900 . 5.800 5.052 4.784 5.652 . 0 0 "[ . 1 . 2]" 3
5 1 51 TYR HB3 1 53 VAL HA 4.100 . 6.000 6.066 5.293 6.341 0.341 12 0 "[ . 1 . 2]" 3
6 1 95 TYR HB2 1 121 VAL MG1 4.400 . 6.000 3.438 2.621 4.303 . 0 0 "[ . 1 . 2]" 3
7 1 98 ILE H 1 98 ILE HB 3.600 . 5.200 3.152 2.920 3.301 . 0 0 "[ . 1 . 2]" 3
8 1 87 VAL MG2 1 98 ILE HB 3.100 . 4.300 2.076 1.774 2.615 0.126 7 0 "[ . 1 . 2]" 3
9 1 13 TRP HB2 1 51 TYR HB3 2.400 . 6.000 5.561 4.764 6.365 0.365 5 0 "[ . 1 . 2]" 3
10 1 155 ASP H 1 155 ASP HB2 2.000 . 2.500 2.481 1.879 2.751 0.251 4 0 "[ . 1 . 2]" 3
11 1 11 GLY H 1 39 ILE HB 4.300 . 6.000 4.551 3.124 5.002 . 0 0 "[ . 1 . 2]" 3
12 1 17 ALA MB 1 129 PHE HB3 4.200 . 6.000 4.197 3.666 4.468 . 0 0 "[ . 1 . 2]" 3
13 1 30 ASP H 1 30 ASP HB3 3.000 . 4.100 2.424 1.769 2.593 0.131 13 0 "[ . 1 . 2]" 3
14 1 9 ILE H 1 9 ILE HB 2.700 . 3.600 2.481 2.155 2.828 . 0 0 "[ . 1 . 2]" 3
15 1 9 ILE HB 1 13 TRP HD1 4.100 . 6.000 5.916 4.932 6.264 0.264 13 0 "[ . 1 . 2]" 3
16 1 36 MET QB 1 51 TYR HA 3.800 . 5.600 4.145 3.712 4.470 . 0 0 "[ . 1 . 2]" 3
17 1 8 GLU H 1 8 GLU HG3 2.100 . 2.700 2.703 1.858 3.306 0.606 7 1 "[ . + 1 . 2]" 3
18 1 8 GLU HG2 1 9 ILE HG13 3.000 . 4.100 4.079 2.712 4.430 0.330 10 0 "[ . 1 . 2]" 3
19 1 132 LEU QD 1 135 GLU HG3 2.300 . 6.000 3.849 2.414 5.698 . 0 0 "[ . 1 . 2]" 3
20 1 138 TYR QD 1 141 GLU HG3 4.400 . 6.000 5.224 3.531 5.994 . 0 0 "[ . 1 . 2]" 3
21 1 141 GLU HA 1 141 GLU QG 2.100 . 2.600 2.588 2.176 2.839 0.239 14 0 "[ . 1 . 2]" 3
22 1 80 GLU H 1 80 GLU HG3 2.800 . 3.800 3.248 2.723 3.774 . 0 0 "[ . 1 . 2]" 3
23 1 44 GLU QG 1 45 ASP H 3.000 . 4.100 3.517 1.762 4.189 0.138 7 0 "[ . 1 . 2]" 3
24 1 67 LYS H 1 67 LYS HB2 3.100 . 4.300 2.927 2.586 3.157 . 0 0 "[ . 1 . 2]" 3
25 1 67 LYS HB2 1 69 THR MG 3.900 . 5.800 5.914 5.688 6.368 0.568 6 1 "[ .+ 1 . 2]" 3
26 1 67 LYS H 1 67 LYS HB3 3.300 . 4.700 2.856 2.482 3.182 . 0 0 "[ . 1 . 2]" 3
27 1 19 ALA H 1 112 MET HB2 3.000 . 4.100 2.148 1.881 2.570 0.019 3 0 "[ . 1 . 2]" 3
28 1 48 LYS QB 1 66 PHE HA 4.100 . 6.000 4.505 4.086 5.212 . 0 0 "[ . 1 . 2]" 3
29 1 39 ILE HG13 1 49 VAL HB 2.700 . 3.600 1.953 1.718 2.564 0.082 3 0 "[ . 1 . 2]" 3
30 1 9 ILE MD 1 48 LYS HB3 2.200 . 6.000 6.240 6.019 6.380 0.380 11 0 "[ . 1 . 2]" 3
31 1 45 ASP H 1 46 GLU QB 3.500 . 5.000 4.225 3.428 5.177 0.177 7 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 397
_Distance_constraint_stats_list.Viol_count 656
_Distance_constraint_stats_list.Viol_total 2345.750
_Distance_constraint_stats_list.Viol_max 1.299
_Distance_constraint_stats_list.Viol_rms 0.0721
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0148
_Distance_constraint_stats_list.Viol_average_violations_only 0.1788
_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 4 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 2.800 0.320 4 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.519 0.085 13 0 "[ . 1 . 2]"
1 13 TRP 1.169 0.320 4 0 "[ . 1 . 2]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 7.513 0.672 5 1 "[ + 1 . 2]"
1 16 VAL 7.166 0.406 17 0 "[ . 1 . 2]"
1 17 ALA 2.002 0.406 17 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 2.513 0.491 13 0 "[ . 1 . 2]"
1 21 ASN 1.293 0.491 13 0 "[ . 1 . 2]"
1 22 THR 0.921 0.266 2 0 "[ . 1 . 2]"
1 23 GLU 0.166 0.087 5 0 "[ . 1 . 2]"
1 24 PHE 0.105 0.057 2 0 "[ . 1 . 2]"
1 32 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.328 0.113 17 0 "[ . 1 . 2]"
1 36 MET 3.980 0.556 10 1 "[ . + . 2]"
1 37 ALA 1.813 0.245 15 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 1.458 0.123 6 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 3.954 0.245 15 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 3.980 0.556 10 1 "[ . + . 2]"
1 53 VAL 0.326 0.113 17 0 "[ . 1 . 2]"
1 62 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 0.131 0.131 19 0 "[ . 1 . 2]"
1 65 THR 2.811 0.288 12 0 "[ . 1 . 2]"
1 66 PHE 0.558 0.131 19 0 "[ . 1 . 2]"
1 67 LYS 1.690 0.288 12 0 "[ . 1 . 2]"
1 70 SER 2.851 0.927 19 1 "[ . 1 . +2]"
1 75 VAL 7.725 0.927 19 4 "[- . 1* . +*]"
1 76 TYR 4.851 0.564 11 3 "[- . 1+ . *]"
1 77 TYR 3.480 0.796 3 2 "[ + . 1- . 2]"
1 79 GLU 13.557 0.976 1 5 "[+ * . 1- *. *]"
1 80 GLU 11.389 0.976 1 3 "[+ . 1 *. -]"
1 81 ALA 0.324 0.139 4 0 "[ . 1 . 2]"
1 82 LYS 0.241 0.168 14 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.145 0.145 4 0 "[ . 1 . 2]"
1 88 LEU 1.638 0.220 1 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 THR 0.864 0.206 20 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 0.616 0.160 4 0 "[ . 1 . 2]"
1 93 LYS 3.305 0.546 15 1 "[ . 1 + 2]"
1 94 SER 1.703 0.416 17 0 "[ . 1 . 2]"
1 95 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 2.316 0.313 3 0 "[ . 1 . 2]"
1 98 ILE 1.159 0.240 3 0 "[ . 1 . 2]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.043 0.043 10 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 VAL 1.328 0.345 17 0 "[ . 1 . 2]"
1 104 LYS 1.328 0.345 17 0 "[ . 1 . 2]"
1 107 ARG 4.829 0.728 16 3 "[ . - 1 * .+ 2]"
1 108 THR 0.048 0.048 14 0 "[ . 1 . 2]"
1 109 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 HIS 0.043 0.043 10 0 "[ . 1 . 2]"
1 112 MET 1.728 0.233 2 0 "[ . 1 . 2]"
1 113 ARG 5.238 0.348 2 0 "[ . 1 . 2]"
1 114 LEU 0.075 0.075 11 0 "[ . 1 . 2]"
1 116 SER 1.593 0.374 1 0 "[ . 1 . 2]"
1 117 ARG 0.172 0.091 19 0 "[ . 1 . 2]"
1 118 SER 0.091 0.091 19 0 "[ . 1 . 2]"
1 120 GLU 2.359 0.416 17 0 "[ . 1 . 2]"
1 121 VAL 0.103 0.048 14 0 "[ . 1 . 2]"
1 122 SER 6.746 0.397 10 0 "[ . 1 . 2]"
1 123 PRO 6.091 0.397 10 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 THR 2.571 0.313 3 0 "[ . 1 . 2]"
1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 7.552 0.469 8 0 "[ . 1 . 2]"
1 129 PHE 4.060 0.335 13 0 "[ . 1 . 2]"
1 130 ARG 7.679 0.335 13 0 "[ . 1 . 2]"
1 131 LYS 3.054 0.469 8 0 "[ . 1 . 2]"
1 132 LEU 1.185 0.220 1 0 "[ . 1 . 2]"
1 133 ALA 0.166 0.056 5 0 "[ . 1 . 2]"
1 135 GLU 0.729 0.149 9 0 "[ . 1 . 2]"
1 136 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 THR 9.543 0.687 9 5 "[ *-. +1 * . * 2]"
1 140 ASP 0.113 0.113 12 0 "[ . 1 . 2]"
1 141 GLU 21.851 1.299 19 15 "[****-****1* * * **+2]"
1 142 MET 0.030 0.018 11 0 "[ . 1 . 2]"
1 143 VAL 12.704 1.299 19 12 "[*** -****1* * *+2]"
1 144 ALA 0.264 0.122 19 0 "[ . 1 . 2]"
1 145 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 LEU 0.118 0.118 19 0 "[ . 1 . 2]"
1 147 PRO 5.828 0.672 5 3 "[- + 1 . *2]"
1 148 ARG 0.943 0.488 11 0 "[ . 1 . 2]"
1 149 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 GLU 0.372 0.372 16 0 "[ . 1 . 2]"
1 152 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 THR 0.640 0.372 16 0 "[ . 1 . 2]"
1 154 VAL 3.211 0.528 19 2 "[- . 1 . +2]"
1 155 ASP 0.175 0.094 4 0 "[ . 1 . 2]"
1 156 GLU 0.499 0.072 19 0 "[ . 1 . 2]"
1 157 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 97 VAL HB 1 126 THR HA 4.600 . 6.000 6.111 5.922 6.313 0.313 3 0 "[ . 1 . 2]" 4
2 1 147 PRO HB2 1 147 PRO QG 2.300 . 3.000 2.196 2.162 2.262 . 0 0 "[ . 1 . 2]" 4
3 1 147 PRO HB2 1 147 PRO QD 3.400 . 4.900 3.355 2.882 3.549 . 0 0 "[ . 1 . 2]" 4
4 1 32 MET QB 1 32 MET QG 3.100 . 4.300 2.049 1.982 2.088 . 0 0 "[ . 1 . 2]" 4
5 1 147 PRO HA 1 147 PRO HB3 2.600 . 3.400 2.286 2.254 2.336 . 0 0 "[ . 1 . 2]" 4
6 1 131 LYS QB 1 131 LYS QE 4.100 . 6.000 2.150 1.927 3.514 0.073 13 0 "[ . 1 . 2]" 4
7 1 147 PRO HB2 1 154 VAL H 4.000 . 6.000 5.121 2.609 6.279 0.279 7 0 "[ . 1 . 2]" 4
8 1 36 MET QG 1 52 ALA MB 4.400 . 6.000 4.021 3.553 4.357 . 0 0 "[ . 1 . 2]" 4
9 1 107 ARG QB 1 108 THR H 3.700 . 5.400 3.139 2.630 3.699 . 0 0 "[ . 1 . 2]" 4
10 1 36 MET HA 1 36 MET QG 3.000 . 4.100 2.489 2.435 2.557 . 0 0 "[ . 1 . 2]" 4
11 1 15 VAL H 1 36 MET QG 3.700 . 5.400 4.395 3.902 5.002 . 0 0 "[ . 1 . 2]" 4
12 1 154 VAL HB 1 155 ASP H 3.600 . 5.200 4.045 2.799 4.651 . 0 0 "[ . 1 . 2]" 4
13 1 131 LYS HA 1 131 LYS QB 2.400 . 3.100 2.367 2.179 2.424 . 0 0 "[ . 1 . 2]" 4
14 1 107 ARG QB 1 107 ARG QD 3.500 . 5.100 2.247 2.094 2.668 . 0 0 "[ . 1 . 2]" 4
15 1 4 PRO HA 1 4 PRO HB3 2.400 . 3.100 2.304 2.294 2.318 . 0 0 "[ . 1 . 2]" 4
16 1 123 PRO HB2 1 124 ALA H 3.700 . 5.400 3.111 2.954 3.245 . 0 0 "[ . 1 . 2]" 4
17 1 122 SER HA 1 123 PRO HB2 3.900 . 5.800 5.552 5.525 5.598 . 0 0 "[ . 1 . 2]" 4
18 1 123 PRO HA 1 123 PRO HB2 2.600 . 3.400 2.805 2.787 2.825 . 0 0 "[ . 1 . 2]" 4
19 1 117 ARG HB2 1 118 SER H 2.700 . 3.600 2.826 2.411 3.691 0.091 19 0 "[ . 1 . 2]" 4
20 1 145 MET H 1 145 MET HG2 3.200 . 4.500 2.768 1.994 4.230 . 0 0 "[ . 1 . 2]" 4
21 1 150 GLU H 1 150 GLU HB3 3.000 . 4.100 3.188 2.603 3.955 . 0 0 "[ . 1 . 2]" 4
22 1 148 ARG H 1 148 ARG HB2 3.200 . 4.500 3.238 2.405 4.006 . 0 0 "[ . 1 . 2]" 4
23 1 147 PRO HA 1 148 ARG HB2 6.000 . 6.000 5.177 4.317 6.022 0.022 4 0 "[ . 1 . 2]" 4
24 1 148 ARG HB3 1 148 ARG QD 3.200 . 4.500 2.823 2.373 3.521 . 0 0 "[ . 1 . 2]" 4
25 1 150 GLU HA 1 150 GLU HB2 2.600 . 3.500 2.754 2.468 3.033 . 0 0 "[ . 1 . 2]" 4
26 1 117 ARG H 1 117 ARG HB3 3.600 . 5.200 3.468 2.433 3.625 . 0 0 "[ . 1 . 2]" 4
27 1 145 MET HB2 1 145 MET HG2 2.500 . 3.300 2.953 2.449 3.012 . 0 0 "[ . 1 . 2]" 4
28 1 149 GLN HA 1 150 GLU HB2 5.100 . 6.000 5.363 4.583 5.954 . 0 0 "[ . 1 . 2]" 4
29 1 151 GLU HA 1 151 GLU QB 2.300 . 3.000 2.277 2.165 2.404 . 0 0 "[ . 1 . 2]" 4
30 1 6 ARG QB 1 6 ARG QD 2.800 . 3.800 2.315 2.116 2.805 . 0 0 "[ . 1 . 2]" 4
31 1 6 ARG HA 1 6 ARG QB 2.500 . 3.300 2.318 2.178 2.433 . 0 0 "[ . 1 . 2]" 4
32 1 62 TRP HA 1 62 TRP QB 3.000 . 4.100 2.360 2.339 2.428 . 0 0 "[ . 1 . 2]" 4
33 1 62 TRP QB 1 63 GLU H 3.800 . 5.600 3.327 2.476 3.687 . 0 0 "[ . 1 . 2]" 4
34 1 156 GLU HB3 1 157 VAL H 3.900 . 5.800 4.166 3.393 4.646 . 0 0 "[ . 1 . 2]" 4
35 1 156 GLU H 1 156 GLU HB2 2.900 . 4.000 3.735 2.698 4.072 0.072 19 0 "[ . 1 . 2]" 4
36 1 156 GLU HA 1 156 GLU HB3 2.600 . 3.500 2.631 2.412 3.022 . 0 0 "[ . 1 . 2]" 4
37 1 156 GLU HB2 1 157 VAL H 4.400 . 6.000 3.817 3.039 4.446 . 0 0 "[ . 1 . 2]" 4
38 1 8 GLU H 1 8 GLU HB2 3.700 . 5.500 3.589 3.571 3.626 . 0 0 "[ . 1 . 2]" 4
39 1 8 GLU HA 1 8 GLU HB2 2.700 . 3.600 2.417 2.391 2.511 . 0 0 "[ . 1 . 2]" 4
40 1 8 GLU H 1 8 GLU HB3 3.000 . 4.100 2.412 2.354 2.669 . 0 0 "[ . 1 . 2]" 4
41 1 8 GLU HB2 1 9 ILE H 3.800 . 5.600 3.799 3.619 4.019 . 0 0 "[ . 1 . 2]" 4
42 1 8 GLU HA 1 8 GLU HB3 2.700 . 3.600 2.483 2.373 2.520 . 0 0 "[ . 1 . 2]" 4
43 1 129 PHE QE 1 130 ARG HB2 4.500 . 8.000 6.106 4.781 6.716 . 0 0 "[ . 1 . 2]" 4
44 1 80 GLU HB2 1 81 ALA HA 3.700 . 5.400 5.142 4.636 5.539 0.139 4 0 "[ . 1 . 2]" 4
45 1 80 GLU HB2 1 82 LYS H 3.500 . 5.000 4.295 3.479 5.168 0.168 14 0 "[ . 1 . 2]" 4
46 1 129 PHE HB2 1 130 ARG HB3 2.300 . 6.000 6.203 6.078 6.335 0.335 13 0 "[ . 1 . 2]" 4
47 1 79 GLU H 1 79 GLU QB 2.900 . 4.000 2.956 2.296 3.272 . 0 0 "[ . 1 . 2]" 4
48 1 77 TYR QE 1 79 GLU QB 3.300 . 4.600 4.198 2.616 5.396 0.796 3 2 "[ + . 1- . 2]" 4
49 1 79 GLU H 1 80 GLU HB3 3.200 . 6.000 6.122 5.482 6.475 0.475 8 0 "[ . 1 . 2]" 4
50 1 130 ARG HA 1 130 ARG HB2 2.500 . 3.300 2.438 2.408 2.449 . 0 0 "[ . 1 . 2]" 4
51 1 130 ARG HB2 1 130 ARG QG 2.300 . 3.000 2.338 2.153 2.367 . 0 0 "[ . 1 . 2]" 4
52 1 67 LYS HA 1 67 LYS QD 3.800 . 5.600 3.942 3.418 4.502 . 0 0 "[ . 1 . 2]" 4
53 1 128 ILE HG13 1 129 PHE H 4.400 . 6.000 4.356 4.283 4.456 . 0 0 "[ . 1 . 2]" 4
54 1 128 ILE H 1 128 ILE HG13 3.400 . 4.900 2.194 2.096 2.385 . 0 0 "[ . 1 . 2]" 4
55 1 128 ILE HA 1 128 ILE HG13 2.500 . 3.300 2.979 2.831 3.189 . 0 0 "[ . 1 . 2]" 4
56 1 128 ILE HG13 1 131 LYS QE 2.200 . 6.000 3.923 3.308 6.141 0.141 8 0 "[ . 1 . 2]" 4
57 1 128 ILE MD 1 128 ILE HG13 1.900 . 2.400 2.109 2.087 2.119 . 0 0 "[ . 1 . 2]" 4
58 1 128 ILE H 1 128 ILE HG12 2.500 . 3.300 3.413 3.163 3.640 0.340 5 0 "[ . 1 . 2]" 4
59 1 128 ILE MD 1 128 ILE HG12 2.200 . 2.800 2.110 2.089 2.119 . 0 0 "[ . 1 . 2]" 4
60 1 79 GLU QB 1 80 GLU HA 3.200 . 4.500 4.738 3.983 5.476 0.976 1 3 "[+ . 1 *. -]" 4
61 1 145 MET HB2 1 146 LEU H 3.500 . 5.000 3.363 2.567 4.187 . 0 0 "[ . 1 . 2]" 4
62 1 135 GLU QB 1 136 ARG H 3.200 . 4.500 2.697 2.217 3.618 . 0 0 "[ . 1 . 2]" 4
63 1 80 GLU H 1 80 GLU HB2 2.800 . 3.800 3.542 2.976 4.003 0.203 19 0 "[ . 1 . 2]" 4
64 1 48 LYS QD 1 66 PHE HA 3.700 . 6.000 5.855 5.261 6.081 0.081 6 0 "[ . 1 . 2]" 4
65 1 48 LYS HA 1 48 LYS QD 3.800 . 5.600 3.650 3.511 4.223 . 0 0 "[ . 1 . 2]" 4
66 1 141 GLU HB2 1 142 MET HA 5.100 . 6.000 5.898 5.713 6.018 0.018 11 0 "[ . 1 . 2]" 4
67 1 141 GLU HA 1 141 GLU HB2 2.800 . 3.800 2.431 2.348 2.549 . 0 0 "[ . 1 . 2]" 4
68 1 141 GLU QB 1 143 VAL HA 3.400 . 6.000 6.614 5.744 7.299 1.299 19 12 "[*** -****1* * *+2]" 4
69 1 145 MET HB3 1 145 MET HG2 3.000 . 4.100 2.485 2.371 3.008 . 0 0 "[ . 1 . 2]" 4
70 1 141 GLU HA 1 141 GLU HB3 2.800 . 3.800 3.020 3.007 3.032 . 0 0 "[ . 1 . 2]" 4
71 1 120 GLU QB 1 122 SER HA 2.900 . 6.000 5.838 5.030 6.226 0.226 17 0 "[ . 1 . 2]" 4
72 1 94 SER HB2 1 120 GLU QB 2.200 . 6.000 5.957 4.339 6.416 0.416 17 0 "[ . 1 . 2]" 4
73 1 93 LYS H 1 93 LYS QD 3.800 . 5.600 3.600 1.814 5.145 0.186 13 0 "[ . 1 . 2]" 4
74 1 93 LYS QD 1 93 LYS QG 1.800 . 2.200 2.066 2.002 2.095 . 0 0 "[ . 1 . 2]" 4
75 1 48 LYS QD 1 65 THR MG 2.100 . 2.600 1.885 1.730 2.542 . 0 0 "[ . 1 . 2]" 4
76 1 103 VAL HA 1 104 LYS QD 2.500 . 6.000 5.866 5.284 6.345 0.345 17 0 "[ . 1 . 2]" 4
77 1 139 THR HB 1 141 GLU QB 2.200 . 6.000 5.042 3.349 6.297 0.297 9 0 "[ . 1 . 2]" 4
78 1 120 GLU H 1 120 GLU HB3 2.700 . 3.600 2.681 2.406 3.601 0.001 8 0 "[ . 1 . 2]" 4
79 1 120 GLU HA 1 120 GLU HB3 2.700 . 3.600 2.915 2.463 3.024 . 0 0 "[ . 1 . 2]" 4
80 1 120 GLU HB3 1 120 GLU QG 2.200 . 2.800 2.252 2.161 2.361 . 0 0 "[ . 1 . 2]" 4
81 1 120 GLU HB3 1 121 VAL H 4.200 . 6.000 4.190 3.115 4.485 . 0 0 "[ . 1 . 2]" 4
82 1 120 GLU HB2 1 120 GLU QG 2.300 . 3.000 2.325 2.163 2.350 . 0 0 "[ . 1 . 2]" 4
83 1 120 GLU HB2 1 121 VAL H 4.400 . 6.000 4.402 3.982 4.675 . 0 0 "[ . 1 . 2]" 4
84 1 120 GLU HA 1 120 GLU HB2 2.700 . 3.600 2.556 2.414 3.026 . 0 0 "[ . 1 . 2]" 4
85 1 136 ARG HA 1 136 ARG QB 3.400 . 4.800 2.355 2.179 2.494 . 0 0 "[ . 1 . 2]" 4
86 1 16 VAL MG1 1 113 ARG QG 3.400 . 6.000 6.111 5.827 6.348 0.348 2 0 "[ . 1 . 2]" 4
87 1 15 VAL H 1 113 ARG QG 3.600 . 6.000 5.390 5.019 5.745 . 0 0 "[ . 1 . 2]" 4
88 1 122 SER HA 1 123 PRO HG3 5.100 . 6.000 4.541 4.504 4.620 . 0 0 "[ . 1 . 2]" 4
89 1 122 SER HB3 1 123 PRO HG3 3.900 . 5.800 6.105 5.958 6.197 0.397 10 0 "[ . 1 . 2]" 4
90 1 147 PRO QD 1 147 PRO QG 2.100 . 2.600 1.967 1.939 1.979 . 0 0 "[ . 1 . 2]" 4
91 1 15 VAL QG 1 147 PRO QG 2.500 . 6.000 6.063 5.198 6.672 0.672 5 1 "[ + 1 . 2]" 4
92 1 6 ARG QD 1 6 ARG HG2 2.300 . 3.000 2.326 2.164 2.398 . 0 0 "[ . 1 . 2]" 4
93 1 9 ILE H 1 9 ILE HG12 2.700 . 3.600 2.823 1.979 3.698 0.098 7 0 "[ . 1 . 2]" 4
94 1 9 ILE HG12 1 9 ILE MG 3.500 . 5.000 3.061 2.504 3.202 . 0 0 "[ . 1 . 2]" 4
95 1 9 ILE MD 1 9 ILE HG12 2.300 . 2.900 2.097 2.073 2.119 . 0 0 "[ . 1 . 2]" 4
96 1 6 ARG QD 1 6 ARG HG3 2.400 . 3.100 2.289 2.169 2.409 . 0 0 "[ . 1 . 2]" 4
97 1 9 ILE H 1 9 ILE HG13 3.500 . 5.100 3.731 2.137 4.489 . 0 0 "[ . 1 . 2]" 4
98 1 9 ILE HB 1 9 ILE HG13 2.600 . 3.400 2.432 2.335 2.537 . 0 0 "[ . 1 . 2]" 4
99 1 4 PRO HD3 1 4 PRO HG3 2.600 . 3.400 2.311 2.307 2.317 . 0 0 "[ . 1 . 2]" 4
100 1 148 ARG QD 1 148 ARG HG2 2.600 . 3.500 2.298 2.167 2.404 . 0 0 "[ . 1 . 2]" 4
101 1 148 ARG H 1 148 ARG HG2 3.500 . 5.000 3.309 1.971 4.531 0.029 8 0 "[ . 1 . 2]" 4
102 1 148 ARG H 1 148 ARG HG3 2.600 . 3.500 2.808 1.951 3.988 0.488 11 0 "[ . 1 . 2]" 4
103 1 107 ARG HA 1 107 ARG HG2 2.700 . 3.600 3.670 2.778 3.788 0.188 16 0 "[ . 1 . 2]" 4
104 1 107 ARG H 1 107 ARG HG3 3.500 . 5.100 3.950 3.433 4.884 . 0 0 "[ . 1 . 2]" 4
105 1 107 ARG HG3 1 108 THR H 3.800 . 5.600 3.997 2.328 4.955 . 0 0 "[ . 1 . 2]" 4
106 1 107 ARG HA 1 107 ARG HG3 3.000 . 4.200 3.735 2.738 4.247 0.047 18 0 "[ . 1 . 2]" 4
107 1 107 ARG H 1 107 ARG HG2 3.000 . 4.100 3.044 2.261 4.828 0.728 16 3 "[ . - 1 * .+ 2]" 4
108 1 67 LYS HA 1 67 LYS QG 3.200 . 4.500 3.034 2.412 3.485 . 0 0 "[ . 1 . 2]" 4
109 1 67 LYS QE 1 67 LYS QG 3.100 . 4.300 2.354 2.129 2.831 . 0 0 "[ . 1 . 2]" 4
110 1 46 GLU HG3 1 67 LYS QG 3.900 . 5.800 4.296 2.566 5.185 . 0 0 "[ . 1 . 2]" 4
111 1 93 LYS H 1 93 LYS HG2 3.200 . 4.400 3.937 2.041 4.946 0.546 15 1 "[ . 1 + 2]" 4
112 1 93 LYS QE 1 93 LYS HG3 2.400 . 3.100 2.620 2.347 3.308 0.208 1 0 "[ . 1 . 2]" 4
113 1 131 LYS QG 1 133 ALA MB 5.200 . 6.000 5.882 5.190 6.056 0.056 5 0 "[ . 1 . 2]" 4
114 1 93 LYS HA 1 93 LYS HG2 3.400 . 4.800 3.398 2.419 4.239 . 0 0 "[ . 1 . 2]" 4
115 1 104 LYS H 1 104 LYS QG 3.600 . 5.200 3.711 2.459 4.409 . 0 0 "[ . 1 . 2]" 4
116 1 103 VAL HA 1 104 LYS QG 2.800 . 6.000 5.190 3.610 5.945 . 0 0 "[ . 1 . 2]" 4
117 1 104 LYS QE 1 104 LYS QG 3.200 . 4.500 2.348 2.137 2.776 . 0 0 "[ . 1 . 2]" 4
118 1 131 LYS H 1 131 LYS QG 3.500 . 5.000 3.799 2.178 3.973 . 0 0 "[ . 1 . 2]" 4
119 1 131 LYS QG 1 135 GLU HG3 3.000 . 4.100 4.011 3.560 4.249 0.149 9 0 "[ . 1 . 2]" 4
120 1 99 TYR H 1 100 ALA MB 3.300 . 6.000 5.121 4.156 5.389 . 0 0 "[ . 1 . 2]" 4
121 1 17 ALA MB 1 129 PHE QD 2.600 . 5.500 2.925 2.202 3.381 . 0 0 "[ . 1 . 2]" 4
122 1 13 TRP H 1 37 ALA MB 3.300 . 4.700 3.260 2.721 3.945 . 0 0 "[ . 1 . 2]" 4
123 1 37 ALA MB 1 38 ARG H 2.700 . 3.600 2.572 2.376 2.730 . 0 0 "[ . 1 . 2]" 4
124 1 13 TRP HE3 1 37 ALA MB 3.000 . 4.100 3.537 2.787 4.123 0.023 5 0 "[ . 1 . 2]" 4
125 1 37 ALA MB 1 51 TYR HA 3.400 . 4.900 2.797 2.224 3.277 . 0 0 "[ . 1 . 2]" 4
126 1 37 ALA MB 1 49 VAL HB 3.800 . 5.600 4.474 4.093 4.899 . 0 0 "[ . 1 . 2]" 4
127 1 37 ALA MB 1 49 VAL MG1 2.600 . 5.500 3.274 2.928 3.660 . 0 0 "[ . 1 . 2]" 4
128 1 37 ALA MB 1 52 ALA H 4.700 . 6.000 4.174 3.751 4.488 . 0 0 "[ . 1 . 2]" 4
129 1 95 TYR HA 1 96 ALA MB 4.100 . 6.000 3.836 3.766 3.928 . 0 0 "[ . 1 . 2]" 4
130 1 91 ASP H 1 96 ALA MB 3.000 . 4.100 3.133 2.429 3.853 . 0 0 "[ . 1 . 2]" 4
131 1 96 ALA MB 1 116 SER HA 2.800 . 6.000 4.503 3.747 4.996 . 0 0 "[ . 1 . 2]" 4
132 1 90 THR HB 1 96 ALA MB 2.800 . 6.000 4.420 3.602 5.442 . 0 0 "[ . 1 . 2]" 4
133 1 22 THR MG 1 24 PHE H 3.600 . 6.000 5.088 1.995 6.057 0.057 2 0 "[ . 1 . 2]" 4
134 1 22 THR MG 1 23 GLU H 3.600 . 5.200 3.050 1.913 3.999 0.087 5 0 "[ . 1 . 2]" 4
135 1 22 THR MG 1 109 LEU HA 2.400 . 6.000 3.684 2.144 4.879 . 0 0 "[ . 1 . 2]" 4
136 1 22 THR HA 1 22 THR MG 2.900 . 3.900 2.780 2.284 3.233 . 0 0 "[ . 1 . 2]" 4
137 1 21 ASN HB2 1 22 THR MG 4.100 . 6.000 5.200 4.067 6.266 0.266 2 0 "[ . 1 . 2]" 4
138 1 37 ALA MB 1 50 SER H 3.500 . 5.000 4.381 3.915 4.756 . 0 0 "[ . 1 . 2]" 4
139 1 37 ALA MB 1 49 VAL HA 3.600 . 5.300 4.556 4.209 4.933 . 0 0 "[ . 1 . 2]" 4
140 1 37 ALA MB 1 48 LYS QD 3.200 . 6.000 6.018 5.131 6.245 0.245 15 0 "[ . 1 . 2]" 4
141 1 96 ALA MB 1 97 VAL H 2.900 . 3.900 2.812 2.697 2.979 . 0 0 "[ . 1 . 2]" 4
142 1 17 ALA MB 1 18 LEU H 3.400 . 4.800 3.117 2.858 3.389 . 0 0 "[ . 1 . 2]" 4
143 1 17 ALA MB 1 114 LEU H 2.500 . 4.300 3.660 3.307 4.033 . 0 0 "[ . 1 . 2]" 4
144 1 64 THR MG 1 65 THR H 2.900 . 4.000 2.660 2.374 3.742 . 0 0 "[ . 1 . 2]" 4
145 1 35 ALA MB 1 53 VAL HA 3.100 . 4.300 3.331 2.356 4.351 0.051 15 0 "[ . 1 . 2]" 4
146 1 126 THR H 1 126 THR MG 3.400 . 4.800 2.905 1.933 3.761 0.067 17 0 "[ . 1 . 2]" 4
147 1 123 PRO HA 1 126 THR MG 4.600 . 6.000 3.754 1.940 4.919 . 0 0 "[ . 1 . 2]" 4
148 1 126 THR HB 1 126 THR MG 2.300 . 2.900 2.096 2.069 2.120 . 0 0 "[ . 1 . 2]" 4
149 1 51 TYR QD 1 64 THR MG 2.300 . 6.000 4.186 1.888 5.373 . 0 0 "[ . 1 . 2]" 4
150 1 51 TYR QE 1 64 THR MG 4.000 . 6.000 3.182 2.063 4.523 . 0 0 "[ . 1 . 2]" 4
151 1 64 THR MG 1 66 PHE HA 2.900 . 5.000 4.103 3.724 5.131 0.131 19 0 "[ . 1 . 2]" 4
152 1 35 ALA H 1 35 ALA MB 2.800 . 3.800 2.597 2.382 2.789 . 0 0 "[ . 1 . 2]" 4
153 1 126 THR MG 1 129 PHE H 4.900 . 6.000 5.238 5.018 5.642 . 0 0 "[ . 1 . 2]" 4
154 1 121 VAL MG2 1 122 SER H 3.000 . 5.100 4.117 3.956 4.295 . 0 0 "[ . 1 . 2]" 4
155 1 16 VAL HB 1 121 VAL MG2 2.200 . 6.000 5.364 4.587 6.048 0.048 14 0 "[ . 1 . 2]" 4
156 1 121 VAL HB 1 121 VAL MG2 2.100 . 2.700 2.113 2.087 2.130 . 0 0 "[ . 1 . 2]" 4
157 1 16 VAL MG2 1 116 SER H 3.400 . 6.000 5.373 4.121 6.374 0.374 1 0 "[ . 1 . 2]" 4
158 1 16 VAL MG2 1 17 ALA H 4.400 . 6.000 3.080 1.594 4.124 0.406 17 0 "[ . 1 . 2]" 4
159 1 14 TYR QD 1 16 VAL MG2 3.300 . 6.700 4.801 3.261 6.207 . 0 0 "[ . 1 . 2]" 4
160 1 16 VAL HA 1 16 VAL MG2 2.800 . 3.800 2.559 1.975 3.213 . 0 0 "[ . 1 . 2]" 4
161 1 16 VAL MG2 1 116 SER HB3 3.300 . 6.000 5.163 3.802 6.235 0.235 1 0 "[ . 1 . 2]" 4
162 1 16 VAL HB 1 16 VAL MG2 2.400 . 3.100 2.100 2.075 2.131 . 0 0 "[ . 1 . 2]" 4
163 1 75 VAL MG1 1 77 TYR H 3.900 . 6.000 4.793 3.539 6.023 0.023 8 0 "[ . 1 . 2]" 4
164 1 75 VAL MG1 1 76 TYR QR 4.200 . 6.000 4.837 2.247 5.989 . 0 0 "[ . 1 . 2]" 4
165 1 75 VAL HB 1 75 VAL MG1 2.200 . 2.800 2.104 2.079 2.136 . 0 0 "[ . 1 . 2]" 4
166 1 139 THR MG 1 142 MET H 3.600 . 6.000 4.414 2.277 5.922 . 0 0 "[ . 1 . 2]" 4
167 1 75 VAL MG1 1 76 TYR H 3.100 . 4.300 3.542 2.213 4.327 0.027 6 0 "[ . 1 . 2]" 4
168 1 75 VAL H 1 75 VAL MG1 4.200 . 6.000 3.035 2.098 4.034 . 0 0 "[ . 1 . 2]" 4
169 1 75 VAL HA 1 75 VAL MG1 2.900 . 3.900 2.837 2.299 3.188 . 0 0 "[ . 1 . 2]" 4
170 1 108 THR MG 1 109 LEU H 3.100 . 4.300 3.030 1.994 3.961 . 0 0 "[ . 1 . 2]" 4
171 1 19 ALA MB 1 112 MET H 3.200 . 4.500 3.233 2.687 3.582 . 0 0 "[ . 1 . 2]" 4
172 1 139 THR H 1 139 THR MG 2.600 . 3.400 2.217 1.821 3.713 0.313 15 0 "[ . 1 . 2]" 4
173 1 138 TYR HA 1 139 THR MG 4.000 . 6.000 3.976 3.581 5.415 . 0 0 "[ . 1 . 2]" 4
174 1 139 THR HB 1 139 THR MG 1.900 . 2.400 2.095 2.068 2.118 . 0 0 "[ . 1 . 2]" 4
175 1 139 THR HA 1 139 THR MG 2.800 . 3.700 2.884 2.211 3.235 . 0 0 "[ . 1 . 2]" 4
176 1 139 THR MG 1 140 ASP QB 3.800 . 5.600 4.730 3.091 5.713 0.113 12 0 "[ . 1 . 2]" 4
177 1 139 THR MG 1 141 GLU QG 3.300 . 6.000 5.547 3.629 6.687 0.687 9 4 "[ *-. +1 . * 2]" 4
178 1 139 THR MG 1 141 GLU HB2 3.400 . 5.900 5.093 3.030 6.577 0.677 13 3 "[ -. 1 + . * 2]" 4
179 1 108 THR H 1 108 THR MG 3.400 . 4.800 3.064 1.952 3.862 0.048 14 0 "[ . 1 . 2]" 4
180 1 108 THR MG 1 109 LEU HA 2.700 . 5.600 3.703 3.413 3.996 . 0 0 "[ . 1 . 2]" 4
181 1 19 ALA HA 1 19 ALA MB 2.400 . 3.100 2.091 2.075 2.108 . 0 0 "[ . 1 . 2]" 4
182 1 19 ALA MB 1 143 VAL HA 3.000 . 4.200 2.085 1.864 2.563 . 0 0 "[ . 1 . 2]" 4
183 1 19 ALA MB 1 112 MET QG 3.000 . 4.100 2.622 2.299 3.315 . 0 0 "[ . 1 . 2]" 4
184 1 19 ALA MB 1 112 MET QB 2.900 . 3.900 1.836 1.667 2.094 0.233 2 0 "[ . 1 . 2]" 4
185 1 15 VAL QG 1 16 VAL H 3.500 . 5.100 2.730 2.275 3.032 . 0 0 "[ . 1 . 2]" 4
186 1 15 VAL QG 1 114 LEU H 4.000 . 6.000 2.602 1.925 3.243 0.075 11 0 "[ . 1 . 2]" 4
187 1 15 VAL QG 1 17 ALA H 3.700 . 5.400 3.780 3.295 4.091 . 0 0 "[ . 1 . 2]" 4
188 1 15 VAL QG 1 35 ALA H 4.200 . 6.000 3.150 2.072 3.923 . 0 0 "[ . 1 . 2]" 4
189 1 15 VAL HB 1 15 VAL QG 2.200 . 2.800 1.886 1.877 1.895 . 0 0 "[ . 1 . 2]" 4
190 1 15 VAL QG 1 113 ARG HG3 3.200 . 4.400 1.882 1.767 2.148 0.233 11 0 "[ . 1 . 2]" 4
191 1 65 THR HA 1 65 THR MG 2.600 . 3.400 2.476 2.406 2.542 . 0 0 "[ . 1 . 2]" 4
192 1 48 LYS HA 1 65 THR MG 3.600 . 5.300 4.003 3.629 4.630 . 0 0 "[ . 1 . 2]" 4
193 1 48 LYS QE 1 65 THR MG 3.700 . 5.400 2.930 2.064 3.505 . 0 0 "[ . 1 . 2]" 4
194 1 65 THR MG 1 67 LYS HB2 3.200 . 4.500 3.784 2.372 4.788 0.288 12 0 "[ . 1 . 2]" 4
195 1 48 LYS QD 1 65 THR MG 3.200 . 4.500 1.813 1.723 1.895 0.177 15 0 "[ . 1 . 2]" 4
196 1 154 VAL MG2 1 155 ASP H 3.000 . 4.100 2.806 1.806 4.153 0.094 4 0 "[ . 1 . 2]" 4
197 1 154 VAL H 1 154 VAL MG2 3.700 . 5.400 3.499 2.101 4.014 . 0 0 "[ . 1 . 2]" 4
198 1 144 ALA HA 1 154 VAL MG2 3.000 . 5.100 4.224 3.416 5.222 0.122 19 0 "[ . 1 . 2]" 4
199 1 154 VAL HA 1 154 VAL MG2 2.400 . 3.100 2.451 1.973 3.214 0.114 1 0 "[ . 1 . 2]" 4
200 1 147 PRO HB2 1 154 VAL MG2 3.400 . 4.900 4.670 3.356 5.428 0.528 19 2 "[- . 1 . +2]" 4
201 1 154 VAL HB 1 154 VAL MG2 2.100 . 2.700 2.110 2.072 2.130 . 0 0 "[ . 1 . 2]" 4
202 1 144 ALA MB 1 154 VAL MG2 2.700 . 6.000 4.340 2.730 5.438 . 0 0 "[ . 1 . 2]" 4
203 1 49 VAL H 1 49 VAL MG2 3.800 . 5.600 3.936 3.888 3.979 . 0 0 "[ . 1 . 2]" 4
204 1 49 VAL MG2 1 50 SER H 2.700 . 3.600 2.870 2.620 3.163 . 0 0 "[ . 1 . 2]" 4
205 1 49 VAL HA 1 49 VAL MG2 2.500 . 3.300 2.305 2.144 2.431 . 0 0 "[ . 1 . 2]" 4
206 1 39 ILE HG13 1 49 VAL MG2 3.400 . 5.900 3.558 2.126 5.079 . 0 0 "[ . 1 . 2]" 4
207 1 49 VAL MG1 1 66 PHE HA 3.700 . 5.400 4.694 4.320 5.230 . 0 0 "[ . 1 . 2]" 4
208 1 18 LEU H 1 144 ALA MB 2.600 . 4.500 3.594 3.057 4.059 . 0 0 "[ . 1 . 2]" 4
209 1 144 ALA MB 1 146 LEU H 3.800 . 6.000 5.190 4.383 5.681 . 0 0 "[ . 1 . 2]" 4
210 1 19 ALA HA 1 144 ALA MB 3.300 . 4.700 2.145 1.836 2.727 0.064 2 0 "[ . 1 . 2]" 4
211 1 65 THR MG 1 66 PHE H 3.100 . 4.300 2.935 2.635 3.188 . 0 0 "[ . 1 . 2]" 4
212 1 65 THR MG 1 66 PHE HA 2.600 . 6.000 3.880 3.626 4.100 . 0 0 "[ . 1 . 2]" 4
213 1 38 ARG H 1 49 VAL MG1 4.300 . 6.000 4.618 3.829 5.041 . 0 0 "[ . 1 . 2]" 4
214 1 144 ALA H 1 144 ALA MB 2.700 . 3.600 2.814 2.688 2.887 . 0 0 "[ . 1 . 2]" 4
215 1 97 VAL MG1 1 129 PHE HA 2.500 . 4.300 3.417 2.899 3.743 . 0 0 "[ . 1 . 2]" 4
216 1 101 THR H 1 101 THR MG 3.500 . 5.000 3.150 2.734 3.931 . 0 0 "[ . 1 . 2]" 4
217 1 101 THR MG 1 102 ARG H 3.200 . 4.500 3.851 2.463 4.191 . 0 0 "[ . 1 . 2]" 4
218 1 101 THR MG 1 110 HIS H 3.200 . 6.000 4.950 4.277 5.659 . 0 0 "[ . 1 . 2]" 4
219 1 157 VAL HB 1 157 VAL MG2 3.600 . 5.200 2.111 2.085 2.130 . 0 0 "[ . 1 . 2]" 4
220 1 157 VAL H 1 157 VAL MG2 4.300 . 6.000 2.880 2.064 4.035 . 0 0 "[ . 1 . 2]" 4
221 1 157 VAL HA 1 157 VAL MG2 4.600 . 6.000 2.666 2.224 3.208 . 0 0 "[ . 1 . 2]" 4
222 1 88 LEU QD 1 97 VAL H 4.000 . 6.000 4.718 3.704 5.370 . 0 0 "[ . 1 . 2]" 4
223 1 87 VAL HA 1 88 LEU QD 3.500 . 5.000 3.647 2.652 5.145 0.145 4 0 "[ . 1 . 2]" 4
224 1 101 THR MG 1 110 HIS HA 3.300 . 4.700 2.674 1.857 3.313 0.043 10 0 "[ . 1 . 2]" 4
225 1 87 VAL H 1 87 VAL MG1 3.300 . 4.700 3.641 1.952 3.885 . 0 0 "[ . 1 . 2]" 4
226 1 87 VAL MG1 1 92 TYR QD 3.600 . 8.000 5.753 4.779 7.303 . 0 0 "[ . 1 . 2]" 4
227 1 88 LEU QD 1 132 LEU HA 3.600 . 5.200 5.103 4.226 5.420 0.220 1 0 "[ . 1 . 2]" 4
228 1 53 VAL H 1 53 VAL MG1 3.100 . 4.300 2.919 2.337 3.965 . 0 0 "[ . 1 . 2]" 4
229 1 35 ALA HA 1 53 VAL MG1 3.600 . 5.200 2.608 1.887 3.907 0.113 17 0 "[ . 1 . 2]" 4
230 1 53 VAL HA 1 53 VAL MG1 3.100 . 4.300 2.344 2.197 2.428 . 0 0 "[ . 1 . 2]" 4
231 1 53 VAL MG1 1 53 VAL MG2 2.700 . 3.600 1.998 1.894 2.082 . 0 0 "[ . 1 . 2]" 4
232 1 35 ALA HA 1 52 ALA MB 3.700 . 6.000 4.917 4.177 5.419 . 0 0 "[ . 1 . 2]" 4
233 1 52 ALA MB 1 53 VAL H 3.700 . 5.400 3.286 2.966 3.447 . 0 0 "[ . 1 . 2]" 4
234 1 52 ALA H 1 52 ALA MB 2.800 . 3.800 2.358 2.211 2.515 . 0 0 "[ . 1 . 2]" 4
235 1 37 ALA HA 1 52 ALA MB 2.200 . 6.000 4.745 4.276 5.161 . 0 0 "[ . 1 . 2]" 4
236 1 36 MET QB 1 52 ALA MB 2.000 . 2.500 2.699 2.512 3.056 0.556 10 1 "[ . + . 2]" 4
237 1 75 VAL MG2 1 76 TYR QB 3.600 . 5.200 5.028 4.340 5.764 0.564 11 1 "[ . 1+ . 2]" 4
238 1 75 VAL MG2 1 76 TYR QR 3.100 . 6.000 5.233 4.040 6.536 0.536 20 2 "[- . 1 . +]" 4
239 1 75 VAL MG2 1 87 VAL HB 2.100 . 6.000 3.112 1.870 5.412 . 0 0 "[ . 1 . 2]" 4
240 1 147 PRO HB2 1 153 THR MG 3.000 . 6.000 4.346 1.796 6.164 0.164 16 0 "[ . 1 . 2]" 4
241 1 152 CYS H 1 153 THR MG 3.200 . 5.400 3.806 2.644 5.089 . 0 0 "[ . 1 . 2]" 4
242 1 151 GLU H 1 153 THR MG 3.300 . 4.600 3.696 2.384 4.972 0.372 16 0 "[ . 1 . 2]" 4
243 1 153 THR HB 1 153 THR MG 2.200 . 2.800 2.102 2.068 2.125 . 0 0 "[ . 1 . 2]" 4
244 1 152 CYS QB 1 153 THR MG 2.600 . 6.000 4.691 4.054 5.042 . 0 0 "[ . 1 . 2]" 4
245 1 70 SER HB3 1 75 VAL MG2 2.600 . 4.400 4.038 3.333 5.327 0.927 19 1 "[ . 1 . +2]" 4
246 1 153 THR MG 1 154 VAL H 4.000 . 6.000 3.805 3.248 4.214 . 0 0 "[ . 1 . 2]" 4
247 1 53 VAL H 1 53 VAL MG2 3.200 . 4.500 2.181 1.867 2.935 0.033 20 0 "[ . 1 . 2]" 4
248 1 53 VAL MG2 1 63 GLU HA 3.700 . 5.400 4.065 3.545 4.410 . 0 0 "[ . 1 . 2]" 4
249 1 53 VAL HA 1 53 VAL MG2 2.500 . 3.300 2.993 2.343 3.208 . 0 0 "[ . 1 . 2]" 4
250 1 157 VAL HA 1 157 VAL MG1 3.600 . 5.300 2.437 2.230 3.210 . 0 0 "[ . 1 . 2]" 4
251 1 154 VAL MG1 1 155 ASP HA 4.400 . 6.000 4.650 4.197 5.760 . 0 0 "[ . 1 . 2]" 4
252 1 157 VAL H 1 157 VAL MG1 3.400 . 4.900 3.373 2.153 4.030 . 0 0 "[ . 1 . 2]" 4
253 1 154 VAL MG1 1 155 ASP H 3.400 . 4.800 3.799 3.450 4.236 . 0 0 "[ . 1 . 2]" 4
254 1 154 VAL H 1 154 VAL MG1 2.900 . 3.900 2.278 2.085 2.688 . 0 0 "[ . 1 . 2]" 4
255 1 144 ALA HA 1 154 VAL MG1 3.000 . 6.000 4.738 3.971 5.985 . 0 0 "[ . 1 . 2]" 4
256 1 154 VAL HA 1 154 VAL MG1 3.500 . 5.000 3.027 2.288 3.206 . 0 0 "[ . 1 . 2]" 4
257 1 144 ALA MB 1 154 VAL MG1 3.300 . 6.000 4.752 3.345 5.732 . 0 0 "[ . 1 . 2]" 4
258 1 81 ALA MB 1 82 LYS HA 3.600 . 5.300 3.858 3.581 4.270 . 0 0 "[ . 1 . 2]" 4
259 1 80 GLU HB3 1 81 ALA MB 2.500 . 6.000 3.915 3.169 5.416 . 0 0 "[ . 1 . 2]" 4
260 1 10 ALA MB 1 11 GLY HA3 3.800 . 5.600 4.327 4.198 4.412 . 0 0 "[ . 1 . 2]" 4
261 1 9 ILE MG 1 10 ALA MB 3.700 . 6.000 4.128 3.721 4.533 . 0 0 "[ . 1 . 2]" 4
262 1 10 ALA MB 1 11 GLY H 2.800 . 3.800 3.182 2.908 3.471 . 0 0 "[ . 1 . 2]" 4
263 1 10 ALA MB 1 11 GLY HA2 4.300 . 6.000 4.021 3.949 4.146 . 0 0 "[ . 1 . 2]" 4
264 1 9 ILE HA 1 10 ALA MB 4.000 . 6.000 4.748 4.339 5.016 . 0 0 "[ . 1 . 2]" 4
265 1 121 VAL H 1 121 VAL MG1 2.800 . 4.700 3.832 3.766 3.979 . 0 0 "[ . 1 . 2]" 4
266 1 121 VAL MG1 1 121 VAL MG2 2.300 . 2.900 2.045 1.909 2.091 . 0 0 "[ . 1 . 2]" 4
267 1 121 VAL MG1 1 122 SER H 3.400 . 5.900 3.041 2.460 3.792 . 0 0 "[ . 1 . 2]" 4
268 1 121 VAL MG1 1 122 SER HA 3.700 . 5.400 4.295 4.144 4.608 . 0 0 "[ . 1 . 2]" 4
269 1 121 VAL HA 1 121 VAL MG1 2.700 . 3.600 2.372 2.305 2.433 . 0 0 "[ . 1 . 2]" 4
270 1 116 SER HB3 1 121 VAL MG1 3.000 . 6.000 4.028 3.132 4.898 . 0 0 "[ . 1 . 2]" 4
271 1 9 ILE MG 1 92 TYR QD 4.100 . 7.000 5.397 4.161 6.237 . 0 0 "[ . 1 . 2]" 4
272 1 9 ILE MD 1 9 ILE MG 2.300 . 2.900 1.994 1.804 2.253 . 0 0 "[ . 1 . 2]" 4
273 1 9 ILE MG 1 13 TRP HD1 3.900 . 6.000 5.685 5.128 6.320 0.320 4 0 "[ . 1 . 2]" 4
274 1 9 ILE MG 1 39 ILE HA 4.100 . 6.000 5.300 4.598 5.921 . 0 0 "[ . 1 . 2]" 4
275 1 9 ILE HA 1 9 ILE MG 2.700 . 3.600 2.439 2.269 2.612 . 0 0 "[ . 1 . 2]" 4
276 1 9 ILE MG 1 92 TYR HA 4.100 . 6.000 5.222 3.613 6.160 0.160 4 0 "[ . 1 . 2]" 4
277 1 9 ILE HG13 1 9 ILE MG 2.800 . 3.800 2.501 2.243 3.178 . 0 0 "[ . 1 . 2]" 4
278 1 9 ILE MG 1 39 ILE MG 2.700 . 6.000 2.516 1.920 3.469 . 0 0 "[ . 1 . 2]" 4
279 1 9 ILE MG 1 39 ILE MD 2.700 . 3.600 1.770 1.677 1.929 0.123 6 0 "[ . 1 . 2]" 4
280 1 9 ILE MG 1 13 TRP HE1 3.700 . 5.400 3.599 2.908 4.417 . 0 0 "[ . 1 . 2]" 4
281 1 98 ILE H 1 98 ILE MG 2.700 . 3.600 2.041 1.837 2.329 . 0 0 "[ . 1 . 2]" 4
282 1 98 ILE HA 1 98 ILE MG 3.200 . 4.500 3.158 2.731 3.205 . 0 0 "[ . 1 . 2]" 4
283 1 97 VAL HB 1 98 ILE MG 5.000 . 6.000 4.850 4.678 5.073 . 0 0 "[ . 1 . 2]" 4
284 1 98 ILE HG13 1 98 ILE MG 3.000 . 4.100 2.561 2.251 3.182 . 0 0 "[ . 1 . 2]" 4
285 1 16 VAL MG1 1 17 ALA H 3.400 . 4.900 2.834 1.734 4.043 0.166 3 0 "[ . 1 . 2]" 4
286 1 16 VAL MG1 1 116 SER HB3 4.000 . 6.000 4.704 2.959 6.215 0.215 18 0 "[ . 1 . 2]" 4
287 1 16 VAL MG1 1 16 VAL MG2 2.100 . 2.600 2.037 1.927 2.098 . 0 0 "[ . 1 . 2]" 4
288 1 16 VAL MG1 1 146 LEU H 3.100 . 5.300 4.536 3.028 5.418 0.118 19 0 "[ . 1 . 2]" 4
289 1 16 VAL HA 1 16 VAL MG1 3.000 . 4.100 2.740 2.213 3.210 . 0 0 "[ . 1 . 2]" 4
290 1 95 TYR QE 1 125 ALA MB 5.000 . 6.000 3.445 2.691 4.500 . 0 0 "[ . 1 . 2]" 4
291 1 95 TYR HA 1 125 ALA MB 3.500 . 5.100 3.989 3.214 4.559 . 0 0 "[ . 1 . 2]" 4
292 1 96 ALA H 1 125 ALA MB 3.700 . 5.500 4.174 3.563 4.966 . 0 0 "[ . 1 . 2]" 4
293 1 122 SER H 1 125 ALA MB 3.000 . 4.100 3.102 2.594 3.405 . 0 0 "[ . 1 . 2]" 4
294 1 125 ALA MB 1 129 PHE H 4.600 . 6.000 4.895 4.709 5.140 . 0 0 "[ . 1 . 2]" 4
295 1 124 ALA H 1 125 ALA MB 4.500 . 6.000 4.291 4.189 4.325 . 0 0 "[ . 1 . 2]" 4
296 1 95 TYR QD 1 125 ALA MB 3.700 . 5.400 2.447 2.054 3.068 . 0 0 "[ . 1 . 2]" 4
297 1 122 SER HA 1 125 ALA MB 2.300 . 6.000 4.593 4.047 4.851 . 0 0 "[ . 1 . 2]" 4
298 1 122 SER HB3 1 125 ALA MB 2.900 . 6.000 2.952 2.556 4.091 . 0 0 "[ . 1 . 2]" 4
299 1 95 TYR HB2 1 125 ALA MB 2.500 . 3.300 1.952 1.762 2.920 . 0 0 "[ . 1 . 2]" 4
300 1 125 ALA MB 1 128 ILE HB 3.700 . 5.500 4.876 4.807 4.963 . 0 0 "[ . 1 . 2]" 4
301 1 125 ALA MB 1 128 ILE MD 4.100 . 7.000 4.713 4.424 5.241 . 0 0 "[ . 1 . 2]" 4
302 1 124 ALA MB 1 126 THR H 4.200 . 6.000 4.629 4.495 4.849 . 0 0 "[ . 1 . 2]" 4
303 1 122 SER HA 1 124 ALA MB 4.200 . 6.000 5.065 4.911 5.231 . 0 0 "[ . 1 . 2]" 4
304 1 122 SER HB2 1 124 ALA MB 4.100 . 6.000 4.354 3.427 4.622 . 0 0 "[ . 1 . 2]" 4
305 1 124 ALA MB 1 128 ILE MD 2.700 . 6.000 1.796 1.727 1.967 . 0 0 "[ . 1 . 2]" 4
306 1 127 ALA MB 1 130 ARG H 4.900 . 6.000 4.609 4.450 4.716 . 0 0 "[ . 1 . 2]" 4
307 1 127 ALA MB 1 129 PHE H 4.800 . 6.000 4.536 4.350 4.796 . 0 0 "[ . 1 . 2]" 4
308 1 127 ALA MB 1 131 LYS QB 3.700 . 5.500 3.691 3.277 4.199 . 0 0 "[ . 1 . 2]" 4
309 1 127 ALA MB 1 128 ILE HG12 3.200 . 6.000 4.163 3.855 4.471 . 0 0 "[ . 1 . 2]" 4
310 1 127 ALA MB 1 128 ILE MD 4.700 . 7.000 4.474 4.347 4.620 . 0 0 "[ . 1 . 2]" 4
311 1 128 ILE MG 1 132 LEU H 3.600 . 5.200 3.485 2.979 3.800 . 0 0 "[ . 1 . 2]" 4
312 1 128 ILE MG 1 131 LYS H 4.400 . 6.000 4.445 4.132 4.886 . 0 0 "[ . 1 . 2]" 4
313 1 128 ILE H 1 128 ILE MG 3.900 . 5.800 3.790 3.774 3.799 . 0 0 "[ . 1 . 2]" 4
314 1 89 ASP HA 1 128 ILE MG 2.400 . 6.000 3.759 2.266 4.905 . 0 0 "[ . 1 . 2]" 4
315 1 128 ILE MG 1 129 PHE HA 3.300 . 4.700 3.419 3.205 3.646 . 0 0 "[ . 1 . 2]" 4
316 1 125 ALA HA 1 128 ILE MG 3.900 . 5.800 4.616 4.542 4.718 . 0 0 "[ . 1 . 2]" 4
317 1 128 ILE MG 1 129 PHE HB3 4.300 . 6.000 5.230 4.819 5.460 . 0 0 "[ . 1 . 2]" 4
318 1 128 ILE MG 1 131 LYS QB 3.500 . 5.100 3.274 2.702 4.867 . 0 0 "[ . 1 . 2]" 4
319 1 128 ILE HB 1 128 ILE MG 2.200 . 2.800 2.111 2.084 2.133 . 0 0 "[ . 1 . 2]" 4
320 1 128 ILE MD 1 128 ILE MG 2.200 . 3.800 1.939 1.778 2.108 . 0 0 "[ . 1 . 2]" 4
321 1 11 GLY HA2 1 39 ILE MG 3.100 . 4.300 4.202 3.403 4.385 0.085 13 0 "[ . 1 . 2]" 4
322 1 39 ILE HG13 1 39 ILE MG 2.700 . 5.600 3.163 2.463 3.207 . 0 0 "[ . 1 . 2]" 4
323 1 133 ALA MB 1 138 TYR HA 3.800 . 6.000 4.224 2.628 5.703 . 0 0 "[ . 1 . 2]" 4
324 1 132 LEU H 1 133 ALA MB 4.200 . 6.000 4.209 4.071 4.321 . 0 0 "[ . 1 . 2]" 4
325 1 133 ALA MB 1 135 GLU H 4.200 . 6.000 4.610 4.401 4.818 . 0 0 "[ . 1 . 2]" 4
326 1 130 ARG QG 1 133 ALA MB 3.200 . 4.400 3.546 3.112 4.034 . 0 0 "[ . 1 . 2]" 4
327 1 90 THR HG1 1 90 THR MG 2.900 . 3.900 2.595 2.250 2.993 . 0 0 "[ . 1 . 2]" 4
328 1 89 ASP HA 1 90 THR MG 3.500 . 7.000 5.570 4.121 5.843 . 0 0 "[ . 1 . 2]" 4
329 1 9 ILE HB 1 9 ILE MD 3.200 . 4.500 3.099 2.558 3.230 . 0 0 "[ . 1 . 2]" 4
330 1 9 ILE MD 1 9 ILE HG13 2.200 . 2.800 2.098 2.073 2.123 . 0 0 "[ . 1 . 2]" 4
331 1 39 ILE HA 1 39 ILE MD 4.400 . 6.000 3.675 2.153 3.856 . 0 0 "[ . 1 . 2]" 4
332 1 13 TRP HE1 1 39 ILE MD 3.500 . 6.000 3.425 2.063 4.062 . 0 0 "[ . 1 . 2]" 4
333 1 39 ILE MD 1 40 SER H 4.600 . 6.000 3.849 1.981 4.181 . 0 0 "[ . 1 . 2]" 4
334 1 39 ILE HB 1 39 ILE MD 2.600 . 3.400 2.442 2.307 2.605 . 0 0 "[ . 1 . 2]" 4
335 1 39 ILE MD 1 39 ILE HG12 2.100 . 2.700 2.105 2.072 2.119 . 0 0 "[ . 1 . 2]" 4
336 1 88 LEU H 1 98 ILE MD 4.300 . 6.000 4.379 3.601 5.294 . 0 0 "[ . 1 . 2]" 4
337 1 87 VAL H 1 98 ILE MD 4.300 . 6.000 3.552 2.474 5.030 . 0 0 "[ . 1 . 2]" 4
338 1 98 ILE MD 1 98 ILE HG13 2.400 . 3.100 2.082 2.070 2.116 . 0 0 "[ . 1 . 2]" 4
339 1 98 ILE MD 1 98 ILE MG 3.400 . 4.900 2.591 1.660 3.249 0.240 3 0 "[ . 1 . 2]" 4
340 1 87 VAL HB 1 98 ILE MD 2.900 . 6.000 4.137 1.930 5.492 . 0 0 "[ . 1 . 2]" 4
341 1 98 ILE HB 1 98 ILE MD 2.600 . 3.500 2.607 2.194 3.222 . 0 0 "[ . 1 . 2]" 4
342 1 128 ILE MD 1 129 PHE H 2.600 . 6.000 4.653 4.531 4.887 . 0 0 "[ . 1 . 2]" 4
343 1 128 ILE H 1 128 ILE MD 3.400 . 4.900 3.641 3.566 3.912 . 0 0 "[ . 1 . 2]" 4
344 1 15 VAL HA 1 15 VAL HB 2.200 . 2.800 2.493 2.247 3.017 0.217 12 0 "[ . 1 . 2]" 4
345 1 15 VAL H 1 15 VAL HB 3.500 . 5.000 2.933 2.215 3.510 . 0 0 "[ . 1 . 2]" 4
346 1 42 LEU HA 1 42 LEU QD 2.800 . 3.800 2.240 1.923 3.042 . 0 0 "[ . 1 . 2]" 4
347 1 42 LEU HB2 1 42 LEU QD 2.600 . 3.500 2.210 2.043 2.356 . 0 0 "[ . 1 . 2]" 4
348 1 42 LEU HB3 1 42 LEU QD 2.800 . 3.800 2.199 2.035 2.329 . 0 0 "[ . 1 . 2]" 4
349 1 49 VAL HB 1 49 VAL MG1 2.200 . 2.800 2.097 2.077 2.129 . 0 0 "[ . 1 . 2]" 4
350 1 49 VAL H 1 49 VAL MG1 2.900 . 4.000 2.169 2.047 2.362 . 0 0 "[ . 1 . 2]" 4
351 1 49 VAL HB 1 49 VAL MG2 2.200 . 2.800 2.097 2.078 2.122 . 0 0 "[ . 1 . 2]" 4
352 1 49 VAL MG1 1 49 VAL MG2 2.100 . 2.600 1.995 1.895 2.098 . 0 0 "[ . 1 . 2]" 4
353 1 97 VAL HB 1 97 VAL MG1 2.300 . 3.000 2.089 2.080 2.116 . 0 0 "[ . 1 . 2]" 4
354 1 154 VAL H 1 154 VAL HB 3.700 . 5.500 2.937 2.265 3.639 . 0 0 "[ . 1 . 2]" 4
355 1 116 SER HA 1 121 VAL MG2 5.400 . 6.000 4.055 3.752 4.472 . 0 0 "[ . 1 . 2]" 4
356 1 15 VAL H 1 16 VAL MG2 4.300 . 6.000 5.264 3.988 6.288 0.288 10 0 "[ . 1 . 2]" 4
357 1 16 VAL MG2 1 35 ALA H 3.400 . 6.000 4.863 3.126 6.026 0.026 4 0 "[ . 1 . 2]" 4
358 1 70 SER HB2 1 75 VAL MG1 3.900 . 5.800 4.517 1.841 6.171 0.371 19 0 "[ . 1 . 2]" 4
359 1 65 THR MG 1 67 LYS HA 3.800 . 5.600 4.475 3.878 4.860 . 0 0 "[ . 1 . 2]" 4
360 1 65 THR MG 1 67 LYS QE 4.900 . 6.000 3.519 2.204 5.641 . 0 0 "[ . 1 . 2]" 4
361 1 17 ALA HA 1 144 ALA MB 4.100 . 6.000 5.322 4.912 5.747 . 0 0 "[ . 1 . 2]" 4
362 1 39 ILE MD 1 49 VAL MG1 4.600 . 7.000 4.192 3.416 5.014 . 0 0 "[ . 1 . 2]" 4
363 1 88 LEU QD 1 99 TYR H 5.100 . 6.000 3.636 2.247 5.460 . 0 0 "[ . 1 . 2]" 4
364 1 88 LEU QD 1 98 ILE HB 4.000 . 6.000 5.204 3.657 6.201 0.201 4 0 "[ . 1 . 2]" 4
365 1 36 MET H 1 53 VAL MG1 5.000 . 6.000 3.645 2.644 5.349 . 0 0 "[ . 1 . 2]" 4
366 1 81 ALA MB 1 83 LYS H 4.700 . 6.000 4.322 3.918 5.339 . 0 0 "[ . 1 . 2]" 4
367 1 88 LEU H 1 98 ILE MG 5.900 . 6.000 4.851 4.327 5.389 . 0 0 "[ . 1 . 2]" 4
368 1 116 SER HA 1 125 ALA MB 4.800 . 6.000 4.847 3.724 5.497 . 0 0 "[ . 1 . 2]" 4
369 1 123 PRO HB3 1 124 ALA MB 4.700 . 6.000 5.475 5.400 5.548 . 0 0 "[ . 1 . 2]" 4
370 1 90 THR MG 1 96 ALA MB 3.600 . 6.000 4.285 2.708 5.110 . 0 0 "[ . 1 . 2]" 4
371 1 90 THR MG 1 93 LYS QG 3.800 . 5.600 3.891 1.877 5.806 0.206 20 0 "[ . 1 . 2]" 4
372 1 124 ALA H 1 128 ILE MD 3.700 . 5.400 4.546 4.373 4.977 . 0 0 "[ . 1 . 2]" 4
373 1 128 ILE MD 1 131 LYS QE 3.000 . 4.100 3.899 3.340 4.569 0.469 8 0 "[ . 1 . 2]" 4
374 1 52 ALA MB 1 63 GLU H 6.000 . 6.000 5.116 4.623 5.615 . 0 0 "[ . 1 . 2]" 4
375 1 101 THR MG 1 109 LEU H 4.300 . 6.000 4.748 2.435 5.809 . 0 0 "[ . 1 . 2]" 4
376 1 156 GLU HA 1 157 VAL MG1 5.000 . 6.000 4.793 3.663 5.752 . 0 0 "[ . 1 . 2]" 4
377 1 124 ALA MB 1 125 ALA HA 3.900 . 5.800 3.632 3.569 3.724 . 0 0 "[ . 1 . 2]" 4
378 1 39 ILE HB 1 39 ILE MG 2.200 . 2.800 2.121 2.080 2.127 . 0 0 "[ . 1 . 2]" 4
379 1 87 VAL HA 1 98 ILE MG 4.100 . 6.000 3.965 3.534 4.531 . 0 0 "[ . 1 . 2]" 4
380 1 13 TRP HE3 1 98 ILE MG 3.500 . 5.000 4.050 3.518 5.000 . 0 0 "[ . 1 . 2]" 4
381 1 8 GLU HB3 1 9 ILE H 5.500 . 6.000 3.870 3.742 4.043 . 0 0 "[ . 1 . 2]" 4
382 1 128 ILE H 1 130 ARG HB2 4.600 . 6.000 6.181 6.025 6.309 0.309 12 0 "[ . 1 . 2]" 4
383 1 123 PRO HB3 1 124 ALA H 3.800 . 5.600 4.129 4.060 4.207 . 0 0 "[ . 1 . 2]" 4
384 1 67 LYS H 1 67 LYS QD 4.800 . 6.000 3.626 1.667 5.267 0.233 13 0 "[ . 1 . 2]" 4
385 1 99 TYR QD 1 100 ALA MB 5.800 . 7.000 4.413 3.930 4.662 . 0 0 "[ . 1 . 2]" 4
386 1 40 SER H 1 48 LYS QG 4.700 . 6.000 3.985 3.177 5.661 . 0 0 "[ . 1 . 2]" 4
387 1 100 ALA MB 1 112 MET H 5.600 . 7.000 5.249 4.691 5.737 . 0 0 "[ . 1 . 2]" 4
388 1 100 ALA MB 1 102 ARG H 5.100 . 6.000 4.820 4.316 5.132 . 0 0 "[ . 1 . 2]" 4
389 1 131 LYS QG 1 132 LEU H 4.600 . 6.000 3.487 1.968 3.813 0.032 3 0 "[ . 1 . 2]" 4
390 1 77 TYR QD 1 79 GLU QB 4.900 . 6.000 4.111 2.570 5.346 . 0 0 "[ . 1 . 2]" 4
391 1 116 SER HA 1 117 ARG HB2 4.500 . 6.000 4.567 4.223 5.670 . 0 0 "[ . 1 . 2]" 4
392 1 95 TYR HA 1 117 ARG HB2 4.200 . 6.000 4.321 3.349 5.663 . 0 0 "[ . 1 . 2]" 4
393 1 117 ARG HB2 1 117 ARG HE 4.600 . 6.000 4.077 1.819 5.236 0.081 19 0 "[ . 1 . 2]" 4
394 1 116 SER HA 1 117 ARG HB3 6.000 . 6.000 5.589 4.497 5.745 . 0 0 "[ . 1 . 2]" 4
395 1 19 ALA MB 1 21 ASN HD21 5.800 . 7.000 5.365 4.070 7.491 0.491 13 0 "[ . 1 . 2]" 4
396 1 8 GLU H 1 10 ALA MB 3.900 . 5.800 4.722 4.533 5.094 . 0 0 "[ . 1 . 2]" 4
397 1 9 ILE HB 1 10 ALA MB 4.900 . 6.000 4.168 3.789 4.561 . 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 422
_Distance_constraint_stats_list.Viol_count 922
_Distance_constraint_stats_list.Viol_total 3490.224
_Distance_constraint_stats_list.Viol_max 0.813
_Distance_constraint_stats_list.Viol_rms 0.0772
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0207
_Distance_constraint_stats_list.Viol_average_violations_only 0.1893
_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 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 1.882 0.404 19 0 "[ . 1 . 2]"
1 10 ALA 0.104 0.077 2 0 "[ . 1 . 2]"
1 11 GLY 0.088 0.088 19 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TRP 3.329 0.272 13 0 "[ . 1 . 2]"
1 14 TYR 0.003 0.003 11 0 "[ . 1 . 2]"
1 15 VAL 0.490 0.121 2 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 11.361 0.677 1 11 "[+** . - 1****.* **2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.157 0.104 18 0 "[ . 1 . 2]"
1 20 SER 10.647 0.813 16 14 "[*- *.** ** ***.+* **]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 1.825 0.321 15 0 "[ . 1 . 2]"
1 23 GLU 0.300 0.174 15 0 "[ . 1 . 2]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 3.465 0.426 18 0 "[ . 1 . 2]"
1 32 MET 3.125 0.426 18 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.003 0.003 11 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 1.186 0.219 18 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 11.109 0.603 20 4 "[ - . 1 * .* +]"
1 43 GLY 2.842 0.239 18 0 "[ . 1 . 2]"
1 44 GLU 0.284 0.270 7 0 "[ . 1 . 2]"
1 45 ASP 0.010 0.010 8 0 "[ . 1 . 2]"
1 46 GLU 2.145 0.270 7 0 "[ . 1 . 2]"
1 47 LEU 8.271 0.603 20 4 "[ - . 1 * .* +]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.070 0.070 5 0 "[ . 1 . 2]"
1 50 SER 2.022 0.252 11 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.310 0.141 2 0 "[ . 1 . 2]"
1 57 ASN 0.624 0.262 10 0 "[ . 1 . 2]"
1 58 GLY 0.262 0.262 10 0 "[ . 1 . 2]"
1 61 LYS 0.310 0.141 2 0 "[ . 1 . 2]"
1 62 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.058 0.058 3 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 6.733 0.641 1 2 "[+ . 1 . -]"
1 69 THR 1.877 0.222 3 0 "[ . 1 . 2]"
1 70 SER 0.001 0.001 8 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASP 4.224 0.298 13 0 "[ . 1 . 2]"
1 73 GLY 3.757 0.298 13 0 "[ . 1 . 2]"
1 74 GLU 6.454 0.468 12 0 "[ . 1 . 2]"
1 75 VAL 6.569 0.468 12 0 "[ . 1 . 2]"
1 76 TYR 0.168 0.168 19 0 "[ . 1 . 2]"
1 77 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 6.733 0.641 1 2 "[+ . 1 . -]"
1 80 GLU 3.404 0.359 16 0 "[ . 1 . 2]"
1 81 ALA 3.774 0.359 16 0 "[ . 1 . 2]"
1 82 LYS 0.449 0.179 14 0 "[ . 1 . 2]"
1 83 LYS 0.565 0.222 3 0 "[ . 1 . 2]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 3.140 0.499 18 0 "[ . 1 . 2]"
1 88 LEU 2.321 0.288 6 0 "[ . 1 . 2]"
1 89 ASP 4.109 0.539 19 2 "[ . 1 -. +2]"
1 90 THR 4.798 0.432 4 0 "[ . 1 . 2]"
1 91 ASP 4.240 0.521 1 1 "[+ . 1 . 2]"
1 92 TYR 4.509 0.521 1 1 "[+ . 1 . 2]"
1 93 LYS 0.265 0.144 14 0 "[ . 1 . 2]"
1 94 SER 0.744 0.193 15 0 "[ . 1 . 2]"
1 95 TYR 2.617 0.432 4 0 "[ . 1 . 2]"
1 96 ALA 3.076 0.411 18 0 "[ . 1 . 2]"
1 97 VAL 4.488 0.539 19 2 "[ . 1 -. +2]"
1 98 ILE 4.730 0.525 5 1 "[ + 1 . 2]"
1 99 TYR 0.213 0.114 6 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.098 0.098 11 0 "[ . 1 . 2]"
1 102 ARG 0.486 0.222 3 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASP 0.286 0.107 10 0 "[ . 1 . 2]"
1 106 GLY 0.286 0.107 10 0 "[ . 1 . 2]"
1 107 ARG 0.407 0.111 15 0 "[ . 1 . 2]"
1 108 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 HIS 0.098 0.098 11 0 "[ . 1 . 2]"
1 111 MET 2.673 0.751 19 4 "[ . 1 *- . +*]"
1 112 MET 10.882 0.677 1 11 "[+** . - 1****.* **2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 TYR 0.322 0.121 2 0 "[ . 1 . 2]"
1 116 SER 0.461 0.205 2 0 "[ . 1 . 2]"
1 117 ARG 2.570 0.272 13 0 "[ . 1 . 2]"
1 118 SER 0.006 0.006 14 0 "[ . 1 . 2]"
1 120 GLU 4.191 0.400 12 0 "[ . 1 . 2]"
1 121 VAL 4.191 0.400 12 0 "[ . 1 . 2]"
1 122 SER 0.023 0.023 7 0 "[ . 1 . 2]"
1 123 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 5.357 0.346 5 0 "[ . 1 . 2]"
1 126 THR 12.863 0.346 5 0 "[ . 1 . 2]"
1 127 ALA 14.445 0.287 13 0 "[ . 1 . 2]"
1 128 ILE 9.981 0.287 13 0 "[ . 1 . 2]"
1 129 PHE 7.695 0.325 8 0 "[ . 1 . 2]"
1 130 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LYS 7.130 0.267 15 0 "[ . 1 . 2]"
1 132 LEU 5.278 0.267 15 0 "[ . 1 . 2]"
1 133 ALA 0.089 0.033 15 0 "[ . 1 . 2]"
1 134 GLY 0.844 0.136 15 0 "[ . 1 . 2]"
1 135 GLU 6.359 0.266 16 0 "[ . 1 . 2]"
1 136 ARG 8.000 0.266 16 0 "[ . 1 . 2]"
1 137 ASN 6.051 0.339 5 0 "[ . 1 . 2]"
1 138 TYR 4.471 0.339 5 0 "[ . 1 . 2]"
1 139 THR 9.214 0.686 1 2 "[+ . -1 . 2]"
1 140 ASP 4.975 0.509 1 2 "[+ . -1 . 2]"
1 141 GLU 8.028 0.784 13 5 "[* . -1 *+ . *]"
1 142 MET 7.974 0.813 16 10 "[*- *.** ** *.+* 2]"
1 143 VAL 3.964 0.784 13 3 "[ . 1 *+ . -]"
1 144 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 MET 3.078 0.323 12 0 "[ . 1 . 2]"
1 146 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 PRO 1.251 0.532 18 1 "[ . 1 . + 2]"
1 148 ARG 2.436 0.532 18 1 "[ . 1 . + 2]"
1 149 GLN 1.226 0.245 11 0 "[ . 1 . 2]"
1 150 GLU 0.041 0.036 5 0 "[ . 1 . 2]"
1 151 GLU 0.532 0.272 3 0 "[ . 1 . 2]"
1 152 CYS 0.528 0.272 3 0 "[ . 1 . 2]"
1 153 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 VAL 3.422 0.222 13 0 "[ . 1 . 2]"
1 155 ASP 0.879 0.192 4 0 "[ . 1 . 2]"
1 156 GLU 0.163 0.044 20 0 "[ . 1 . 2]"
1 157 VAL 0.115 0.044 20 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 14 TYR HA 1 15 VAL H 2.500 . 2.700 2.164 2.133 2.193 . 0 0 "[ . 1 . 2]" 5
2 1 13 TRP HA 1 117 ARG HA 3.000 . 3.300 3.343 2.462 3.572 0.272 13 0 "[ . 1 . 2]" 5
3 1 15 VAL HA 1 115 TYR HA 3.000 . 3.300 2.727 1.769 3.421 0.121 2 0 "[ . 1 . 2]" 5
4 1 18 LEU HA 1 113 ARG HA 3.000 . 3.300 2.694 2.342 2.971 . 0 0 "[ . 1 . 2]" 5
5 1 20 SER HA 1 111 MET HA 3.000 . 3.300 2.566 1.829 4.051 0.751 19 4 "[ . 1 *- . +*]" 5
6 1 14 TYR HA 1 36 MET HA 3.000 . 3.300 2.494 1.797 2.851 0.003 11 0 "[ . 1 . 2]" 5
7 1 17 ALA HA 1 145 MET HA 3.000 . 3.300 3.317 3.153 3.589 0.289 6 0 "[ . 1 . 2]" 5
8 1 19 ALA HA 1 143 VAL HA 2.500 . 2.700 2.355 1.846 2.804 0.104 18 0 "[ . 1 . 2]" 5
9 1 37 ALA H 1 37 ALA HA 3.000 . 3.300 2.909 2.871 2.946 . 0 0 "[ . 1 . 2]" 5
10 1 37 ALA HA 1 38 ARG H 2.500 . 2.700 2.265 2.231 2.314 . 0 0 "[ . 1 . 2]" 5
11 1 12 LYS HA 1 38 ARG HA 3.000 . 3.300 2.271 1.827 2.599 . 0 0 "[ . 1 . 2]" 5
12 1 39 ILE HA 1 49 VAL HA 3.000 . 3.300 2.097 1.730 2.832 0.070 5 0 "[ . 1 . 2]" 5
13 1 41 PHE HA 1 47 LEU HA 3.000 . 3.300 2.259 1.867 2.721 . 0 0 "[ . 1 . 2]" 5
14 1 35 ALA HA 1 53 VAL HA 3.000 . 3.300 2.272 1.881 3.035 . 0 0 "[ . 1 . 2]" 5
15 1 42 LEU HA 1 47 LEU HA 3.000 . 4.300 4.714 4.450 4.903 0.603 20 4 "[ - . 1 * .* +]" 5
16 1 46 GLU HA 1 69 THR HA 3.000 . 3.300 3.392 3.282 3.522 0.222 3 0 "[ . 1 . 2]" 5
17 1 48 LYS HA 1 67 LYS HA 3.000 . 3.300 2.255 1.910 2.721 . 0 0 "[ . 1 . 2]" 5
18 1 54 PRO HA 1 61 LYS HA 3.000 . 3.300 2.156 1.659 2.744 0.141 2 0 "[ . 1 . 2]" 5
19 1 52 ALA HA 1 63 GLU HA 2.500 . 2.700 2.324 2.020 2.638 . 0 0 "[ . 1 . 2]" 5
20 1 50 SER HA 1 65 THR HA 3.000 . 3.300 2.354 2.021 2.725 . 0 0 "[ . 1 . 2]" 5
21 1 68 LYS HA 1 79 GLU HA 3.000 . 4.300 4.637 4.408 4.941 0.641 1 2 "[+ . 1 . -]" 5
22 1 77 TYR H 1 77 TYR HA 3.000 . 3.300 2.930 2.908 2.943 . 0 0 "[ . 1 . 2]" 5
23 1 77 TYR HA 1 78 SER H 2.500 . 2.700 2.159 2.102 2.296 . 0 0 "[ . 1 . 2]" 5
24 1 70 SER HA 1 77 TYR HA 3.000 . 3.300 2.732 1.902 3.277 . 0 0 "[ . 1 . 2]" 5
25 1 76 TYR HA 1 86 GLU HA 3.000 . 3.300 2.155 1.804 2.469 . 0 0 "[ . 1 . 2]" 5
26 1 78 SER HA 1 84 LYS HA 3.000 . 3.300 2.502 1.953 3.161 . 0 0 "[ . 1 . 2]" 5
27 1 83 LYS HA 1 102 ARG HA 3.000 . 3.300 2.548 1.872 3.522 0.222 3 0 "[ . 1 . 2]" 5
28 1 85 VAL HA 1 100 ALA HA 3.000 . 3.300 2.462 1.869 2.994 . 0 0 "[ . 1 . 2]" 5
29 1 87 VAL HA 1 98 ILE HA 3.000 . 3.300 2.063 1.731 2.623 0.069 7 0 "[ . 1 . 2]" 5
30 1 90 THR HA 1 96 ALA HA 3.000 . 4.300 4.308 2.069 4.711 0.411 18 0 "[ . 1 . 2]" 5
31 1 95 TYR HA 1 116 SER HA 2.500 . 2.700 2.453 2.014 2.905 0.205 2 0 "[ . 1 . 2]" 5
32 1 97 VAL HA 1 114 LEU HA 2.500 . 2.700 2.069 1.890 2.441 . 0 0 "[ . 1 . 2]" 5
33 1 99 TYR HA 1 112 MET HA 3.000 . 3.300 1.858 1.686 1.987 0.114 6 0 "[ . 1 . 2]" 5
34 1 101 THR HA 1 110 HIS HA 3.000 . 3.300 2.866 1.963 3.398 0.098 11 0 "[ . 1 . 2]" 5
35 1 103 VAL HA 1 108 THR HA 3.000 . 3.300 2.994 2.374 3.274 . 0 0 "[ . 1 . 2]" 5
36 1 145 MET H 1 145 MET HA 3.000 . 3.300 2.944 2.930 2.953 . 0 0 "[ . 1 . 2]" 5
37 1 145 MET HA 1 145 MET HB3 2.500 . 2.700 2.418 2.345 2.459 . 0 0 "[ . 1 . 2]" 5
38 1 145 MET HA 1 145 MET HB2 2.500 . 2.700 2.670 2.437 3.023 0.323 12 0 "[ . 1 . 2]" 5
39 1 145 MET HA 1 146 LEU H 2.500 . 2.700 2.192 2.112 2.262 . 0 0 "[ . 1 . 2]" 5
40 1 125 ALA H 1 125 ALA HA 2.500 . 2.700 2.755 2.743 2.766 0.066 12 0 "[ . 1 . 2]" 5
41 1 125 ALA H 1 126 THR H 2.500 . 2.700 2.912 2.851 3.046 0.346 5 0 "[ . 1 . 2]" 5
42 1 126 THR H 1 126 THR HA 2.500 . 2.700 2.861 2.846 2.872 0.172 1 0 "[ . 1 . 2]" 5
43 1 126 THR HA 1 127 ALA H 3.000 . 3.300 3.560 3.548 3.577 0.277 13 0 "[ . 1 . 2]" 5
44 1 127 ALA H 1 127 ALA HA 2.500 . 2.700 2.830 2.810 2.844 0.144 13 0 "[ . 1 . 2]" 5
45 1 127 ALA H 1 128 ILE H 2.500 . 2.700 2.748 2.705 2.795 0.095 15 0 "[ . 1 . 2]" 5
46 1 127 ALA HA 1 128 ILE H 3.000 . 3.300 3.574 3.548 3.587 0.287 13 0 "[ . 1 . 2]" 5
47 1 128 ILE H 1 129 PHE H 2.500 . 2.700 2.805 2.693 2.900 0.200 3 0 "[ . 1 . 2]" 5
48 1 129 PHE H 1 130 ARG H 3.000 . 3.300 2.672 2.583 2.783 . 0 0 "[ . 1 . 2]" 5
49 1 130 ARG H 1 131 LYS H 3.000 . 3.300 2.533 2.398 2.729 . 0 0 "[ . 1 . 2]" 5
50 1 131 LYS H 1 132 LEU H 2.500 . 2.700 2.667 2.573 2.748 0.048 2 0 "[ . 1 . 2]" 5
51 1 131 LYS H 1 131 LYS HA 2.500 . 2.700 2.810 2.790 2.826 0.126 15 0 "[ . 1 . 2]" 5
52 1 131 LYS HA 1 132 LEU H 3.000 . 3.300 3.540 3.514 3.567 0.267 15 0 "[ . 1 . 2]" 5
53 1 132 LEU H 1 133 ALA H 3.000 . 3.300 2.602 2.541 2.707 . 0 0 "[ . 1 . 2]" 5
54 1 133 ALA H 1 133 ALA HA 3.000 . 3.300 2.824 2.784 2.868 . 0 0 "[ . 1 . 2]" 5
55 1 133 ALA H 1 134 GLY H 2.500 . 2.700 2.600 2.423 2.733 0.033 15 0 "[ . 1 . 2]" 5
56 1 134 GLY H 1 135 GLU H 2.500 . 2.700 2.727 2.646 2.836 0.136 15 0 "[ . 1 . 2]" 5
57 1 135 GLU H 1 135 GLU HA 2.500 . 2.700 2.765 2.717 2.812 0.112 4 0 "[ . 1 . 2]" 5
58 1 135 GLU H 1 136 ARG H 3.000 . 3.300 2.777 2.607 2.972 . 0 0 "[ . 1 . 2]" 5
59 1 135 GLU HA 1 136 ARG H 3.000 . 3.300 3.515 3.450 3.566 0.266 16 0 "[ . 1 . 2]" 5
60 1 136 ARG H 1 136 ARG HA 2.500 . 2.700 2.875 2.823 2.927 0.227 5 0 "[ . 1 . 2]" 5
61 1 136 ARG H 1 137 ASN H 3.000 . 3.300 2.730 2.239 3.500 0.200 15 0 "[ . 1 . 2]" 5
62 1 137 ASN H 1 137 ASN HA 2.500 . 2.700 2.612 2.263 2.864 0.164 13 0 "[ . 1 . 2]" 5
63 1 137 ASN H 1 138 TYR H 2.500 . 3.700 3.106 2.063 4.039 0.339 5 0 "[ . 1 . 2]" 5
64 1 137 ASN HA 1 138 TYR H 3.000 . 3.300 2.912 2.146 3.583 0.283 3 0 "[ . 1 . 2]" 5
65 1 153 THR HA 1 154 VAL H 3.000 . 3.300 2.430 2.118 3.017 . 0 0 "[ . 1 . 2]" 5
66 1 154 VAL H 1 154 VAL HA 2.500 . 2.700 2.865 2.739 2.922 0.222 13 0 "[ . 1 . 2]" 5
67 1 155 ASP H 1 155 ASP HA 3.000 . 3.300 2.792 2.711 2.851 . 0 0 "[ . 1 . 2]" 5
68 1 155 ASP HA 1 156 GLU H 2.500 . 2.700 2.294 2.169 2.717 0.017 15 0 "[ . 1 . 2]" 5
69 1 156 GLU H 1 156 GLU HA 3.000 . 3.300 2.689 2.266 2.925 . 0 0 "[ . 1 . 2]" 5
70 1 156 GLU HA 1 157 VAL H 2.500 . 2.700 2.316 2.143 2.744 0.044 20 0 "[ . 1 . 2]" 5
71 1 157 VAL H 1 157 VAL HA 3.000 . 3.300 2.502 2.275 2.886 . 0 0 "[ . 1 . 2]" 5
72 1 9 ILE HA 1 9 ILE MD 3.000 . 3.300 2.330 1.889 3.704 0.404 19 0 "[ . 1 . 2]" 5
73 1 9 ILE MD 1 91 ASP H 4.000 . 6.000 4.624 3.673 5.873 . 0 0 "[ . 1 . 2]" 5
74 1 9 ILE MD 1 92 TYR HA 3.000 . 4.300 3.287 1.866 4.547 0.247 8 0 "[ . 1 . 2]" 5
75 1 9 ILE MD 1 92 TYR QD 3.000 . 4.300 3.240 2.372 4.121 . 0 0 "[ . 1 . 2]" 5
76 1 9 ILE MD 1 92 TYR QE 3.000 . 4.300 3.075 2.353 4.234 . 0 0 "[ . 1 . 2]" 5
77 1 13 TRP HD1 1 39 ILE MD 3.000 . 5.300 5.103 3.445 5.519 0.219 18 0 "[ . 1 . 2]" 5
78 1 39 ILE H 1 39 ILE MG 2.500 . 3.700 2.044 1.832 3.352 . 0 0 "[ . 1 . 2]" 5
79 1 39 ILE MD 1 39 ILE MG 2.500 . 4.700 1.952 1.766 3.253 0.034 5 0 "[ . 1 . 2]" 5
80 1 39 ILE HG12 1 39 ILE MG 2.500 . 3.700 2.387 2.269 2.605 . 0 0 "[ . 1 . 2]" 5
81 1 13 TRP HD1 1 39 ILE MG 3.000 . 4.300 3.061 2.240 4.087 . 0 0 "[ . 1 . 2]" 5
82 1 10 ALA HA 1 39 ILE MG 3.000 . 3.300 2.023 1.723 2.766 0.077 2 0 "[ . 1 . 2]" 5
83 1 10 ALA MB 1 39 ILE MG 3.000 . 6.000 3.498 3.190 3.906 . 0 0 "[ . 1 . 2]" 5
84 1 11 GLY H 1 39 ILE MG 3.000 . 3.300 2.084 1.712 2.364 0.088 19 0 "[ . 1 . 2]" 5
85 1 11 GLY HA3 1 39 ILE MG 3.000 . 5.300 3.835 3.050 4.168 . 0 0 "[ . 1 . 2]" 5
86 1 13 TRP HE1 1 39 ILE MG 2.500 . 3.700 2.172 1.910 3.406 . 0 0 "[ . 1 . 2]" 5
87 1 13 TRP HZ2 1 39 ILE MG 4.000 . 6.000 2.753 2.154 4.663 . 0 0 "[ . 1 . 2]" 5
88 1 37 ALA HA 1 49 VAL MG1 3.000 . 6.000 5.152 4.270 5.611 . 0 0 "[ . 1 . 2]" 5
89 1 90 THR MG 1 91 ASP H 2.500 . 3.700 3.317 2.942 3.857 0.157 1 0 "[ . 1 . 2]" 5
90 1 90 THR MG 1 92 TYR HA 3.000 . 5.300 4.151 2.358 4.605 . 0 0 "[ . 1 . 2]" 5
91 1 90 THR MG 1 92 TYR QB 3.000 . 3.300 2.517 2.025 3.430 0.130 15 0 "[ . 1 . 2]" 5
92 1 90 THR MG 1 93 LYS H 2.500 . 3.700 2.727 2.201 3.844 0.144 14 0 "[ . 1 . 2]" 5
93 1 90 THR H 1 91 ASP H 4.000 . 5.000 3.806 3.128 4.197 . 0 0 "[ . 1 . 2]" 5
94 1 91 ASP H 1 92 TYR H 2.500 . 2.700 2.877 2.353 3.221 0.521 1 1 "[+ . 1 . 2]" 5
95 1 91 ASP H 1 96 ALA HA 4.000 . 5.000 4.354 3.365 4.889 . 0 0 "[ . 1 . 2]" 5
96 1 90 THR MG 1 92 TYR H 2.500 . 2.700 2.097 1.935 2.411 . 0 0 "[ . 1 . 2]" 5
97 1 98 ILE HA 1 98 ILE MD 3.000 . 3.300 2.813 1.926 3.825 0.525 5 1 "[ + 1 . 2]" 5
98 1 87 VAL HA 1 98 ILE MD 3.000 . 3.300 2.819 1.863 3.799 0.499 18 0 "[ . 1 . 2]" 5
99 1 98 ILE HA 1 99 TYR H 2.500 . 2.700 2.147 2.115 2.198 . 0 0 "[ . 1 . 2]" 5
100 1 17 ALA HA 1 112 MET QB 3.000 . 5.700 6.233 6.040 6.377 0.677 1 11 "[+** . - 1****.* **2]" 5
101 1 112 MET QB 1 129 PHE QE 3.000 . 3.300 2.356 2.037 3.149 . 0 0 "[ . 1 . 2]" 5
102 1 95 TYR QE 1 128 ILE MD 3.000 . 6.000 3.861 2.044 5.068 . 0 0 "[ . 1 . 2]" 5
103 1 88 LEU QD 1 129 PHE QD 3.000 . 3.300 3.388 3.075 3.588 0.288 6 0 "[ . 1 . 2]" 5
104 1 87 VAL MG2 1 88 LEU H 3.900 . 5.800 4.076 2.580 4.400 . 0 0 "[ . 1 . 2]" 5
105 1 48 LYS HA 1 49 VAL H 2.200 . 2.800 2.259 2.198 2.308 . 0 0 "[ . 1 . 2]" 5
106 1 42 LEU H 1 42 LEU HB3 4.200 . 6.000 2.831 2.478 3.506 . 0 0 "[ . 1 . 2]" 5
107 1 76 TYR H 1 76 TYR QR 3.900 . 5.800 3.551 2.387 4.264 . 0 0 "[ . 1 . 2]" 5
108 1 47 LEU H 1 67 LYS HA 3.900 . 5.800 4.265 3.836 4.523 . 0 0 "[ . 1 . 2]" 5
109 1 122 SER H 1 122 SER HA 2.500 . 3.300 2.802 2.753 2.839 . 0 0 "[ . 1 . 2]" 5
110 1 15 VAL H 1 15 VAL QG 3.100 . 4.300 2.107 1.845 2.959 0.055 7 0 "[ . 1 . 2]" 5
111 1 154 VAL QG 1 155 ASP H 2.900 . 4.000 2.671 1.800 3.722 . 0 0 "[ . 1 . 2]" 5
112 1 52 ALA H 1 53 VAL MG2 3.900 . 6.000 5.158 3.714 5.762 . 0 0 "[ . 1 . 2]" 5
113 1 157 VAL H 1 157 VAL QG 3.500 . 5.100 2.573 1.924 3.142 . 0 0 "[ . 1 . 2]" 5
114 1 74 GLU H 1 74 GLU QG 3.200 . 4.500 3.133 1.871 4.235 0.029 10 0 "[ . 1 . 2]" 5
115 1 74 GLU H 1 75 VAL HB 3.000 . 6.000 5.997 5.607 6.468 0.468 12 0 "[ . 1 . 2]" 5
116 1 90 THR H 1 95 TYR H 3.100 . 6.000 4.997 4.088 6.432 0.432 4 0 "[ . 1 . 2]" 5
117 1 95 TYR H 1 95 TYR QD 2.800 . 3.800 3.130 2.744 4.228 0.428 3 0 "[ . 1 . 2]" 5
118 1 17 ALA H 1 17 ALA MB 3.000 . 4.100 2.157 2.068 2.315 . 0 0 "[ . 1 . 2]" 5
119 1 23 GLU H 1 24 PHE H 3.500 . 5.100 3.709 2.493 4.557 . 0 0 "[ . 1 . 2]" 5
120 1 145 MET H 1 145 MET HG3 3.000 . 4.100 3.124 2.706 4.283 0.183 13 0 "[ . 1 . 2]" 5
121 1 91 ASP H 1 91 ASP HA 2.800 . 3.800 2.911 2.873 2.937 . 0 0 "[ . 1 . 2]" 5
122 1 129 PHE QD 1 131 LYS H 2.600 . 6.000 5.653 5.293 6.033 0.033 3 0 "[ . 1 . 2]" 5
123 1 104 LYS H 1 107 ARG H 3.900 . 6.000 2.754 2.240 3.618 . 0 0 "[ . 1 . 2]" 5
124 1 107 ARG H 1 107 ARG QB 2.500 . 3.300 2.917 2.416 3.172 . 0 0 "[ . 1 . 2]" 5
125 1 156 GLU H 1 156 GLU QG 4.200 . 6.000 3.433 2.643 4.394 . 0 0 "[ . 1 . 2]" 5
126 1 71 ASP H 1 71 ASP HB2 3.000 . 4.100 2.987 2.379 3.789 . 0 0 "[ . 1 . 2]" 5
127 1 107 ARG H 1 107 ARG QG 2.900 . 4.000 2.881 2.232 4.111 0.111 15 0 "[ . 1 . 2]" 5
128 1 122 SER HB3 1 125 ALA H 3.100 . 4.300 2.797 2.519 4.323 0.023 7 0 "[ . 1 . 2]" 5
129 1 96 ALA H 1 96 ALA MB 2.700 . 3.600 2.562 2.364 2.697 . 0 0 "[ . 1 . 2]" 5
130 1 72 ASP H 1 72 ASP HB3 2.700 . 3.600 3.252 2.471 3.775 0.175 10 0 "[ . 1 . 2]" 5
131 1 156 GLU H 1 156 GLU HB3 2.700 . 3.600 3.420 3.028 3.630 0.030 2 0 "[ . 1 . 2]" 5
132 1 50 SER H 1 50 SER HB3 2.600 . 3.400 3.062 2.516 3.652 0.252 11 0 "[ . 1 . 2]" 5
133 1 29 LYS H 1 30 ASP H 2.900 . 4.000 2.515 2.358 2.743 . 0 0 "[ . 1 . 2]" 5
134 1 148 ARG H 1 148 ARG QB 2.900 . 4.000 2.410 1.903 3.039 . 0 0 "[ . 1 . 2]" 5
135 1 129 PHE H 1 129 PHE HA 2.800 . 3.800 2.809 2.776 2.836 . 0 0 "[ . 1 . 2]" 5
136 1 89 ASP HB2 1 90 THR H 4.100 . 6.000 3.384 3.321 3.827 . 0 0 "[ . 1 . 2]" 5
137 1 150 GLU H 1 151 GLU H 3.300 . 4.600 3.486 2.587 4.445 . 0 0 "[ . 1 . 2]" 5
138 1 44 GLU HB2 1 46 GLU H 3.400 . 4.900 4.084 3.686 5.170 0.270 7 0 "[ . 1 . 2]" 5
139 1 80 GLU HA 1 81 ALA H 3.100 . 4.300 2.822 2.099 3.549 . 0 0 "[ . 1 . 2]" 5
140 1 82 LYS HA 1 83 LYS H 3.100 . 4.300 3.263 2.660 3.616 . 0 0 "[ . 1 . 2]" 5
141 1 80 GLU HB3 1 81 ALA H 3.000 . 4.100 2.735 1.657 4.305 0.243 17 0 "[ . 1 . 2]" 5
142 1 118 SER HB3 1 120 GLU H 2.600 . 3.400 2.988 2.783 3.254 . 0 0 "[ . 1 . 2]" 5
143 1 27 ARG H 1 27 ARG QB 2.500 . 3.300 2.432 2.236 2.607 . 0 0 "[ . 1 . 2]" 5
144 1 118 SER HA 1 120 GLU H 3.700 . 5.400 4.189 3.965 4.377 . 0 0 "[ . 1 . 2]" 5
145 1 136 ARG QB 1 136 ARG HE 4.000 . 6.000 3.323 2.020 4.445 . 0 0 "[ . 1 . 2]" 5
146 1 139 THR HB 1 141 GLU H 3.500 . 5.000 4.788 2.604 5.686 0.686 1 2 "[+ . -1 . 2]" 5
147 1 28 GLU H 1 29 LYS H 3.200 . 4.500 2.810 2.425 3.095 . 0 0 "[ . 1 . 2]" 5
148 1 45 ASP H 1 45 ASP HA 2.700 . 3.600 2.577 2.271 2.825 . 0 0 "[ . 1 . 2]" 5
149 1 148 ARG QB 1 149 GLN H 3.700 . 5.400 3.148 1.755 4.024 0.245 11 0 "[ . 1 . 2]" 5
150 1 92 TYR H 1 92 TYR HA 2.300 . 3.000 2.898 2.285 2.944 . 0 0 "[ . 1 . 2]" 5
151 1 9 ILE H 1 9 ILE MG 4.200 . 6.000 3.803 3.669 3.938 . 0 0 "[ . 1 . 2]" 5
152 1 89 ASP H 1 89 ASP HA 2.800 . 3.800 2.264 2.246 2.283 . 0 0 "[ . 1 . 2]" 5
153 1 89 ASP H 1 97 VAL HB 3.100 . 6.000 6.119 5.751 6.539 0.539 19 2 "[ . 1 -. +2]" 5
154 1 122 SER HA 1 126 THR H 2.100 . 6.000 5.629 5.481 5.689 . 0 0 "[ . 1 . 2]" 5
155 1 69 THR MG 1 70 SER H 2.300 . 6.000 3.499 2.034 4.075 . 0 0 "[ . 1 . 2]" 5
156 1 134 GLY HA2 1 137 ASN H 2.900 . 6.000 3.628 3.034 5.012 . 0 0 "[ . 1 . 2]" 5
157 1 42 LEU HB3 1 43 GLY H 3.200 . 4.500 3.292 2.801 3.846 . 0 0 "[ . 1 . 2]" 5
158 1 57 ASN H 1 58 GLY H 3.400 . 4.900 3.193 1.969 4.495 . 0 0 "[ . 1 . 2]" 5
159 1 155 ASP H 1 155 ASP HB2 2.600 . 3.400 2.725 2.304 3.592 0.192 4 0 "[ . 1 . 2]" 5
160 1 77 TYR H 1 77 TYR HB2 3.200 . 4.500 3.140 2.215 3.943 . 0 0 "[ . 1 . 2]" 5
161 1 143 VAL HA 1 144 ALA H 2.200 . 2.800 2.400 2.181 2.711 . 0 0 "[ . 1 . 2]" 5
162 1 116 SER HA 1 117 ARG H 2.700 . 3.600 2.172 2.119 2.219 . 0 0 "[ . 1 . 2]" 5
163 1 117 ARG H 1 117 ARG HB2 3.200 . 4.400 2.426 2.099 3.579 . 0 0 "[ . 1 . 2]" 5
164 1 18 LEU HA 1 144 ALA H 2.400 . 6.000 5.389 4.975 5.706 . 0 0 "[ . 1 . 2]" 5
165 1 97 VAL HA 1 98 ILE H 2.200 . 2.800 2.180 2.137 2.245 . 0 0 "[ . 1 . 2]" 5
166 1 103 VAL HA 1 104 LYS H 2.300 . 3.000 2.140 2.074 2.224 . 0 0 "[ . 1 . 2]" 5
167 1 96 ALA MB 1 117 ARG H 3.800 . 6.700 4.908 4.073 5.381 . 0 0 "[ . 1 . 2]" 5
168 1 78 SER HA 1 79 GLU H 2.200 . 2.800 2.267 2.120 2.388 . 0 0 "[ . 1 . 2]" 5
169 1 104 LYS H 1 104 LYS HA 3.000 . 4.100 2.894 2.869 2.928 . 0 0 "[ . 1 . 2]" 5
170 1 105 ASP H 1 105 ASP HA 2.900 . 4.000 2.352 2.277 2.808 . 0 0 "[ . 1 . 2]" 5
171 1 109 LEU H 1 109 LEU HA 2.800 . 3.800 2.931 2.916 2.940 . 0 0 "[ . 1 . 2]" 5
172 1 108 THR HA 1 109 LEU H 2.700 . 3.600 2.203 2.136 2.267 . 0 0 "[ . 1 . 2]" 5
173 1 67 LYS H 1 67 LYS HA 2.800 . 3.800 2.925 2.864 2.945 . 0 0 "[ . 1 . 2]" 5
174 1 67 LYS QD 1 68 LYS H 2.400 . 6.000 4.510 2.656 5.168 . 0 0 "[ . 1 . 2]" 5
175 1 67 LYS QG 1 68 LYS H 3.700 . 5.400 3.192 2.300 3.969 . 0 0 "[ . 1 . 2]" 5
176 1 87 VAL HA 1 88 LEU H 2.400 . 3.100 2.109 2.048 2.168 . 0 0 "[ . 1 . 2]" 5
177 1 12 LYS HA 1 13 TRP H 2.500 . 3.300 2.125 2.095 2.169 . 0 0 "[ . 1 . 2]" 5
178 1 13 TRP H 1 14 TYR HA 5.000 . 6.000 4.910 4.515 5.033 . 0 0 "[ . 1 . 2]" 5
179 1 17 ALA MB 1 146 LEU H 3.000 . 6.000 4.710 4.075 5.229 . 0 0 "[ . 1 . 2]" 5
180 1 38 ARG HA 1 39 ILE H 2.900 . 3.900 2.184 2.157 2.233 . 0 0 "[ . 1 . 2]" 5
181 1 87 VAL H 1 87 VAL HB 2.400 . 3.100 2.700 2.506 3.120 0.020 18 0 "[ . 1 . 2]" 5
182 1 146 LEU H 1 147 PRO QD 3.400 . 4.900 3.987 2.134 4.342 . 0 0 "[ . 1 . 2]" 5
183 1 121 VAL H 1 121 VAL HB 2.400 . 3.100 2.650 2.524 3.000 . 0 0 "[ . 1 . 2]" 5
184 1 121 VAL H 1 121 VAL MG2 2.700 . 3.600 2.530 2.058 3.112 . 0 0 "[ . 1 . 2]" 5
185 1 75 VAL HA 1 76 TYR H 2.500 . 3.300 2.183 2.061 3.468 0.168 19 0 "[ . 1 . 2]" 5
186 1 52 ALA HA 1 53 VAL H 2.300 . 3.000 2.183 2.134 2.269 . 0 0 "[ . 1 . 2]" 5
187 1 75 VAL MG2 1 76 TYR H 3.000 . 4.100 3.445 2.611 4.094 . 0 0 "[ . 1 . 2]" 5
188 1 121 VAL HA 1 122 SER H 2.000 . 2.500 2.173 2.124 2.481 . 0 0 "[ . 1 . 2]" 5
189 1 66 PHE H 1 66 PHE HA 2.600 . 3.500 2.940 2.902 2.953 . 0 0 "[ . 1 . 2]" 5
190 1 114 LEU H 1 114 LEU HA 2.700 . 3.600 2.940 2.916 2.955 . 0 0 "[ . 1 . 2]" 5
191 1 113 ARG QG 1 114 LEU H 2.800 . 3.800 2.586 2.325 3.382 . 0 0 "[ . 1 . 2]" 5
192 1 47 LEU HA 1 48 LYS H 2.600 . 3.500 2.239 2.145 2.412 . 0 0 "[ . 1 . 2]" 5
193 1 70 SER HA 1 78 SER H 2.600 . 6.000 4.141 3.522 4.891 . 0 0 "[ . 1 . 2]" 5
194 1 154 VAL HA 1 155 ASP H 1.900 . 2.400 2.277 2.194 2.491 0.091 5 0 "[ . 1 . 2]" 5
195 1 155 ASP H 1 155 ASP HB3 3.200 . 4.500 2.553 2.451 2.769 . 0 0 "[ . 1 . 2]" 5
196 1 154 VAL H 1 155 ASP H 4.000 . 6.000 4.340 3.506 4.628 . 0 0 "[ . 1 . 2]" 5
197 1 51 TYR HA 1 52 ALA H 2.100 . 2.600 2.136 2.073 2.209 . 0 0 "[ . 1 . 2]" 5
198 1 74 GLU HA 1 75 VAL H 2.300 . 3.000 3.134 2.196 3.397 0.397 5 0 "[ . 1 . 2]" 5
199 1 110 HIS HA 1 111 MET H 2.500 . 3.300 2.175 2.125 2.232 . 0 0 "[ . 1 . 2]" 5
200 1 73 GLY HA2 1 74 GLU H 2.500 . 6.000 3.509 3.094 3.553 . 0 0 "[ . 1 . 2]" 5
201 1 73 GLY HA3 1 74 GLU H 2.700 . 3.600 2.520 2.159 2.753 . 0 0 "[ . 1 . 2]" 5
202 1 111 MET HA 1 112 MET H 2.500 . 3.300 2.149 2.110 2.196 . 0 0 "[ . 1 . 2]" 5
203 1 110 HIS HB3 1 111 MET H 3.600 . 5.200 3.221 2.952 4.063 . 0 0 "[ . 1 . 2]" 5
204 1 100 ALA MB 1 111 MET H 3.900 . 5.800 4.202 3.401 4.693 . 0 0 "[ . 1 . 2]" 5
205 1 74 GLU H 1 75 VAL HA 3.600 . 5.300 4.573 4.387 5.407 0.107 19 0 "[ . 1 . 2]" 5
206 1 127 ALA H 1 127 ALA MB 2.100 . 2.600 2.218 2.194 2.240 . 0 0 "[ . 1 . 2]" 5
207 1 126 THR MG 1 127 ALA H 3.800 . 5.600 3.151 1.943 3.844 0.057 12 0 "[ . 1 . 2]" 5
208 1 156 GLU H 1 157 VAL H 3.500 . 5.100 3.685 2.188 4.277 . 0 0 "[ . 1 . 2]" 5
209 1 22 THR H 1 22 THR MG 2.800 . 3.800 3.220 2.405 4.121 0.321 15 0 "[ . 1 . 2]" 5
210 1 23 GLU H 1 23 GLU HA 2.400 . 3.100 2.810 2.270 2.892 . 0 0 "[ . 1 . 2]" 5
211 1 17 ALA H 1 114 LEU H 3.300 . 4.700 3.477 3.103 3.738 . 0 0 "[ . 1 . 2]" 5
212 1 100 ALA H 1 111 MET H 3.900 . 5.800 3.911 3.123 4.315 . 0 0 "[ . 1 . 2]" 5
213 1 72 ASP HA 1 74 GLU H 4.000 . 6.000 4.299 3.823 6.025 0.025 19 0 "[ . 1 . 2]" 5
214 1 40 SER HA 1 41 PHE H 2.300 . 3.000 2.218 2.172 2.311 . 0 0 "[ . 1 . 2]" 5
215 1 41 PHE H 1 41 PHE HB2 3.100 . 4.300 2.561 2.283 3.636 . 0 0 "[ . 1 . 2]" 5
216 1 41 PHE H 1 41 PHE HB3 3.200 . 4.400 3.480 2.636 3.635 . 0 0 "[ . 1 . 2]" 5
217 1 144 ALA HA 1 145 MET H 2.000 . 2.500 2.199 2.144 2.290 . 0 0 "[ . 1 . 2]" 5
218 1 12 LYS H 1 12 LYS QB 2.700 . 3.600 2.642 2.372 2.968 . 0 0 "[ . 1 . 2]" 5
219 1 133 ALA H 1 133 ALA MB 2.200 . 2.800 2.122 2.008 2.205 . 0 0 "[ . 1 . 2]" 5
220 1 145 MET H 1 145 MET QB 2.700 . 3.600 2.921 2.572 3.129 . 0 0 "[ . 1 . 2]" 5
221 1 94 SER HB3 1 95 TYR H 3.800 . 5.600 3.789 2.510 4.340 . 0 0 "[ . 1 . 2]" 5
222 1 61 LYS HA 1 62 TRP H 2.500 . 3.300 2.259 2.177 2.400 . 0 0 "[ . 1 . 2]" 5
223 1 102 ARG HA 1 103 VAL H 2.500 . 3.300 2.212 2.167 2.270 . 0 0 "[ . 1 . 2]" 5
224 1 144 ALA MB 1 145 MET H 3.700 . 5.400 3.136 2.876 3.456 . 0 0 "[ . 1 . 2]" 5
225 1 151 GLU H 1 152 CYS H 3.100 . 4.300 3.565 1.974 4.572 0.272 3 0 "[ . 1 . 2]" 5
226 1 151 GLU QB 1 152 CYS H 2.500 . 3.300 2.367 1.753 3.556 0.256 5 0 "[ . 1 . 2]" 5
227 1 152 CYS H 1 152 CYS QB 3.300 . 4.700 2.748 2.316 3.350 . 0 0 "[ . 1 . 2]" 5
228 1 36 MET QB 1 37 ALA H 2.900 . 5.000 2.976 2.488 3.744 . 0 0 "[ . 1 . 2]" 5
229 1 37 ALA H 1 37 ALA MB 2.800 . 3.800 2.682 2.579 2.794 . 0 0 "[ . 1 . 2]" 5
230 1 90 THR HG1 1 91 ASP H 3.900 . 5.800 5.072 4.261 5.666 . 0 0 "[ . 1 . 2]" 5
231 1 90 THR HA 1 91 ASP H 2.000 . 2.500 2.207 2.102 2.464 . 0 0 "[ . 1 . 2]" 5
232 1 131 LYS H 1 131 LYS QB 2.100 . 2.600 2.254 2.203 2.452 . 0 0 "[ . 1 . 2]" 5
233 1 96 ALA HA 1 97 VAL H 2.500 . 3.300 2.252 2.194 2.311 . 0 0 "[ . 1 . 2]" 5
234 1 36 MET HA 1 37 ALA H 2.400 . 3.100 2.412 2.268 2.535 . 0 0 "[ . 1 . 2]" 5
235 1 134 GLY QA 1 135 GLU H 2.600 . 3.400 2.698 2.611 2.778 . 0 0 "[ . 1 . 2]" 5
236 1 135 GLU H 1 135 GLU QB 2.400 . 3.100 2.563 2.491 2.647 . 0 0 "[ . 1 . 2]" 5
237 1 97 VAL H 1 97 VAL HB 3.000 . 4.100 3.849 3.805 3.893 . 0 0 "[ . 1 . 2]" 5
238 1 97 VAL H 1 97 VAL MG1 3.500 . 5.000 2.651 2.481 2.751 . 0 0 "[ . 1 . 2]" 5
239 1 39 ILE HA 1 40 SER H 2.600 . 3.500 2.179 2.159 2.213 . 0 0 "[ . 1 . 2]" 5
240 1 131 LYS H 1 133 ALA H 3.900 . 5.800 3.940 3.779 4.143 . 0 0 "[ . 1 . 2]" 5
241 1 70 SER HA 1 71 ASP H 2.400 . 3.100 2.247 2.138 2.444 . 0 0 "[ . 1 . 2]" 5
242 1 106 GLY HA3 1 107 ARG H 3.500 . 5.100 3.379 2.799 3.585 . 0 0 "[ . 1 . 2]" 5
243 1 106 GLY HA2 1 107 ARG H 3.400 . 4.800 2.985 2.703 3.586 . 0 0 "[ . 1 . 2]" 5
244 1 122 SER HA 1 125 ALA H 3.000 . 6.000 4.739 4.353 4.913 . 0 0 "[ . 1 . 2]" 5
245 1 125 ALA H 1 125 ALA MB 2.100 . 2.600 2.082 2.013 2.225 . 0 0 "[ . 1 . 2]" 5
246 1 97 VAL H 1 132 LEU QD 4.400 . 6.000 5.666 4.748 6.142 0.142 17 0 "[ . 1 . 2]" 5
247 1 95 TYR HA 1 96 ALA H 2.500 . 3.300 2.184 2.126 2.250 . 0 0 "[ . 1 . 2]" 5
248 1 71 ASP H 1 72 ASP H 3.600 . 5.200 4.570 4.418 4.644 . 0 0 "[ . 1 . 2]" 5
249 1 124 ALA H 1 125 ALA H 3.100 . 4.300 2.742 2.589 2.805 . 0 0 "[ . 1 . 2]" 5
250 1 124 ALA HA 1 125 ALA H 3.500 . 5.000 3.551 3.521 3.560 . 0 0 "[ . 1 . 2]" 5
251 1 124 ALA MB 1 125 ALA H 2.500 . 3.300 2.495 2.346 2.709 . 0 0 "[ . 1 . 2]" 5
252 1 125 ALA HA 1 128 ILE H 3.400 . 4.900 4.333 4.167 4.487 . 0 0 "[ . 1 . 2]" 5
253 1 128 ILE H 1 128 ILE HB 2.000 . 2.500 2.569 2.458 2.622 0.122 13 0 "[ . 1 . 2]" 5
254 1 127 ALA MB 1 128 ILE H 2.600 . 3.500 2.399 2.268 2.629 . 0 0 "[ . 1 . 2]" 5
255 1 49 VAL HA 1 50 SER H 2.500 . 3.300 2.156 2.120 2.187 . 0 0 "[ . 1 . 2]" 5
256 1 155 ASP HB3 1 156 GLU H 3.200 . 4.500 4.029 3.450 4.446 . 0 0 "[ . 1 . 2]" 5
257 1 120 GLU HA 1 121 VAL H 1.800 . 2.200 2.406 2.166 2.600 0.400 12 0 "[ . 1 . 2]" 5
258 1 95 TYR QD 1 96 ALA H 4.800 . 6.000 4.119 3.236 4.502 . 0 0 "[ . 1 . 2]" 5
259 1 44 GLU H 1 44 GLU QB 2.100 . 3.700 3.122 2.460 3.479 . 0 0 "[ . 1 . 2]" 5
260 1 71 ASP HA 1 72 ASP H 2.200 . 2.800 2.334 2.170 2.415 . 0 0 "[ . 1 . 2]" 5
261 1 147 PRO HA 1 148 ARG H 2.000 . 2.500 2.328 2.134 3.032 0.532 18 1 "[ . 1 . + 2]" 5
262 1 43 GLY QA 1 44 GLU H 2.300 . 3.000 2.429 2.142 2.801 . 0 0 "[ . 1 . 2]" 5
263 1 147 PRO HB2 1 148 ARG H 3.200 . 4.500 3.287 1.672 4.327 0.228 18 0 "[ . 1 . 2]" 5
264 1 132 LEU H 1 132 LEU QD 3.100 . 4.300 3.285 2.005 3.704 . 0 0 "[ . 1 . 2]" 5
265 1 129 PHE H 1 129 PHE HB3 1.900 . 2.400 2.557 2.312 2.725 0.325 8 0 "[ . 1 . 2]" 5
266 1 122 SER HA 1 124 ALA H 2.400 . 6.000 4.102 3.975 4.216 . 0 0 "[ . 1 . 2]" 5
267 1 124 ALA H 1 124 ALA HA 2.700 . 3.600 2.808 2.794 2.820 . 0 0 "[ . 1 . 2]" 5
268 1 93 LYS H 1 94 SER H 3.000 . 4.100 3.066 1.779 4.020 0.121 14 0 "[ . 1 . 2]" 5
269 1 93 LYS HB2 1 94 SER H 3.300 . 4.700 2.927 2.037 3.712 . 0 0 "[ . 1 . 2]" 5
270 1 19 ALA H 1 19 ALA HA 2.700 . 3.600 2.836 2.804 2.928 . 0 0 "[ . 1 . 2]" 5
271 1 19 ALA H 1 111 MET QB 4.100 . 6.000 4.427 3.866 5.229 . 0 0 "[ . 1 . 2]" 5
272 1 19 ALA H 1 19 ALA MB 2.800 . 3.800 2.833 2.617 2.892 . 0 0 "[ . 1 . 2]" 5
273 1 128 ILE MG 1 129 PHE H 3.100 . 4.300 3.402 3.118 3.600 . 0 0 "[ . 1 . 2]" 5
274 1 128 ILE HB 1 129 PHE H 2.400 . 3.100 2.679 2.526 2.797 . 0 0 "[ . 1 . 2]" 5
275 1 129 PHE H 1 130 ARG HA 3.900 . 5.800 5.296 5.215 5.382 . 0 0 "[ . 1 . 2]" 5
276 1 31 LYS H 1 32 MET H 2.900 . 4.000 3.862 2.099 4.426 0.426 18 0 "[ . 1 . 2]" 5
277 1 124 ALA H 1 124 ALA MB 2.200 . 2.800 2.079 2.032 2.207 . 0 0 "[ . 1 . 2]" 5
278 1 10 ALA H 1 10 ALA MB 2.500 . 3.300 2.362 2.039 2.792 . 0 0 "[ . 1 . 2]" 5
279 1 77 TYR H 1 77 TYR HB3 3.200 . 4.500 2.883 2.459 3.190 . 0 0 "[ . 1 . 2]" 5
280 1 131 LYS QB 1 132 LEU H 2.600 . 3.500 2.519 2.304 3.406 . 0 0 "[ . 1 . 2]" 5
281 1 94 SER H 1 95 TYR H 3.200 . 4.500 2.527 1.707 3.553 0.193 15 0 "[ . 1 . 2]" 5
282 1 90 THR H 1 90 THR HA 2.700 . 3.600 2.833 2.293 2.945 . 0 0 "[ . 1 . 2]" 5
283 1 124 ALA H 1 128 ILE HG13 5.100 . 6.000 4.691 4.617 4.786 . 0 0 "[ . 1 . 2]" 5
284 1 112 MET HA 1 113 ARG H 2.100 . 2.700 2.270 2.190 2.349 . 0 0 "[ . 1 . 2]" 5
285 1 9 ILE HB 1 10 ALA H 3.500 . 5.000 3.416 2.602 4.445 . 0 0 "[ . 1 . 2]" 5
286 1 64 THR HA 1 65 THR H 2.900 . 3.900 2.182 2.145 2.217 . 0 0 "[ . 1 . 2]" 5
287 1 151 GLU H 1 151 GLU QB 2.600 . 3.500 2.922 2.385 3.504 0.004 5 0 "[ . 1 . 2]" 5
288 1 150 GLU HA 1 151 GLU H 3.300 . 4.600 2.821 2.266 3.457 . 0 0 "[ . 1 . 2]" 5
289 1 151 GLU H 1 151 GLU HA 2.400 . 3.100 2.841 2.611 2.944 . 0 0 "[ . 1 . 2]" 5
290 1 79 GLU H 1 80 GLU H 3.200 . 4.500 4.019 2.588 4.389 . 0 0 "[ . 1 . 2]" 5
291 1 80 GLU H 1 80 GLU HA 2.600 . 3.500 2.268 2.240 2.299 . 0 0 "[ . 1 . 2]" 5
292 1 30 ASP H 1 31 LYS H 3.100 . 4.300 2.788 2.648 2.932 . 0 0 "[ . 1 . 2]" 5
293 1 30 ASP H 1 30 ASP HA 2.700 . 3.600 2.820 2.796 2.855 . 0 0 "[ . 1 . 2]" 5
294 1 30 ASP H 1 30 ASP QB 2.500 . 3.300 2.258 2.241 2.282 . 0 0 "[ . 1 . 2]" 5
295 1 69 THR H 1 69 THR MG 3.100 . 4.300 2.639 1.951 3.801 . 0 0 "[ . 1 . 2]" 5
296 1 134 GLY HA2 1 138 TYR H 3.000 . 6.000 3.338 2.496 4.377 . 0 0 "[ . 1 . 2]" 5
297 1 63 GLU HA 1 64 THR H 2.300 . 3.000 2.222 2.158 2.317 . 0 0 "[ . 1 . 2]" 5
298 1 33 LYS HA 1 34 MET H 3.000 . 4.100 2.436 2.124 2.832 . 0 0 "[ . 1 . 2]" 5
299 1 138 TYR H 1 138 TYR QB 2.900 . 3.900 2.680 2.237 3.144 . 0 0 "[ . 1 . 2]" 5
300 1 81 ALA HA 1 82 LYS H 3.700 . 5.400 3.364 2.376 3.573 . 0 0 "[ . 1 . 2]" 5
301 1 81 ALA MB 1 82 LYS H 3.500 . 5.000 2.322 1.821 3.686 0.179 14 0 "[ . 1 . 2]" 5
302 1 82 LYS H 1 82 LYS HA 2.600 . 3.400 2.785 2.508 2.946 . 0 0 "[ . 1 . 2]" 5
303 1 81 ALA H 1 82 LYS H 3.100 . 4.300 3.320 2.542 4.350 0.050 14 0 "[ . 1 . 2]" 5
304 1 69 THR H 1 79 GLU HA 3.100 . 6.000 4.342 3.819 4.915 . 0 0 "[ . 1 . 2]" 5
305 1 82 LYS H 1 83 LYS H 3.100 . 4.300 2.854 1.821 3.417 0.079 5 0 "[ . 1 . 2]" 5
306 1 136 ARG H 1 136 ARG QB 2.400 . 3.100 2.401 2.222 2.746 . 0 0 "[ . 1 . 2]" 5
307 1 140 ASP H 1 140 ASP HA 2.900 . 4.000 2.804 2.751 2.894 . 0 0 "[ . 1 . 2]" 5
308 1 139 THR HA 1 140 ASP H 2.400 . 3.100 2.992 2.143 3.609 0.509 1 2 "[+ . -1 . 2]" 5
309 1 152 CYS HA 1 153 THR H 2.200 . 2.800 2.283 2.115 2.445 . 0 0 "[ . 1 . 2]" 5
310 1 31 LYS H 1 31 LYS QG 2.900 . 3.900 2.710 1.972 4.094 0.194 20 0 "[ . 1 . 2]" 5
311 1 153 THR H 1 153 THR MG 2.800 . 3.800 2.486 2.024 3.209 . 0 0 "[ . 1 . 2]" 5
312 1 149 GLN QB 1 150 GLU H 2.900 . 4.000 2.742 1.764 4.005 0.036 5 0 "[ . 1 . 2]" 5
313 1 44 GLU HA 1 46 GLU H 3.800 . 5.600 4.954 3.942 5.515 . 0 0 "[ . 1 . 2]" 5
314 1 46 GLU H 1 46 GLU QB 2.600 . 3.500 2.896 2.584 3.350 . 0 0 "[ . 1 . 2]" 5
315 1 81 ALA H 1 81 ALA MB 3.000 . 4.100 2.470 2.101 2.995 . 0 0 "[ . 1 . 2]" 5
316 1 80 GLU HB2 1 81 ALA H 2.900 . 4.000 3.001 1.953 3.950 . 0 0 "[ . 1 . 2]" 5
317 1 17 ALA HA 1 18 LEU H 2.400 . 3.100 2.214 2.164 2.273 . 0 0 "[ . 1 . 2]" 5
318 1 142 MET H 1 143 VAL H 3.100 . 4.300 3.605 2.662 4.267 . 0 0 "[ . 1 . 2]" 5
319 1 80 GLU H 1 81 ALA H 3.100 . 4.300 4.241 3.680 4.659 0.359 16 0 "[ . 1 . 2]" 5
320 1 140 ASP QB 1 142 MET H 2.500 . 6.000 4.940 4.381 5.967 . 0 0 "[ . 1 . 2]" 5
321 1 45 ASP HB2 1 46 GLU H 5.200 . 6.000 4.414 3.892 4.700 . 0 0 "[ . 1 . 2]" 5
322 1 62 TRP HA 1 63 GLU H 3.100 . 4.300 2.215 2.140 2.316 . 0 0 "[ . 1 . 2]" 5
323 1 20 SER HA 1 142 MET H 4.900 . 6.000 5.860 3.463 6.813 0.813 16 10 "[*- *.** ** *.+* 2]" 5
324 1 120 GLU H 1 120 GLU HA 2.700 . 3.600 2.835 2.809 2.875 . 0 0 "[ . 1 . 2]" 5
325 1 35 ALA MB 1 36 MET H 2.500 . 3.300 2.860 2.530 3.175 . 0 0 "[ . 1 . 2]" 5
326 1 141 GLU H 1 141 GLU HB3 3.000 . 4.100 2.543 2.368 2.726 . 0 0 "[ . 1 . 2]" 5
327 1 63 GLU H 1 63 GLU QG 3.600 . 5.200 2.828 1.942 4.163 0.058 3 0 "[ . 1 . 2]" 5
328 1 35 ALA HA 1 36 MET H 2.400 . 3.100 2.113 2.061 2.198 . 0 0 "[ . 1 . 2]" 5
329 1 141 GLU H 1 141 GLU HA 2.500 . 3.300 2.725 2.659 2.800 . 0 0 "[ . 1 . 2]" 5
330 1 140 ASP QB 1 141 GLU H 2.800 . 3.800 3.000 2.692 3.675 . 0 0 "[ . 1 . 2]" 5
331 1 141 GLU H 1 141 GLU QG 3.800 . 5.600 3.990 3.950 4.068 . 0 0 "[ . 1 . 2]" 5
332 1 141 GLU H 1 141 GLU HB2 2.200 . 2.800 2.489 2.366 2.626 . 0 0 "[ . 1 . 2]" 5
333 1 143 VAL H 1 143 VAL HB 2.400 . 3.100 2.824 2.591 3.118 0.018 9 0 "[ . 1 . 2]" 5
334 1 141 GLU HA 1 143 VAL H 3.200 . 6.000 5.691 4.189 6.784 0.784 13 3 "[ . 1 *+ . -]" 5
335 1 142 MET HA 1 143 VAL H 3.200 . 4.500 2.284 2.057 2.634 . 0 0 "[ . 1 . 2]" 5
336 1 19 ALA MB 1 143 VAL H 3.100 . 5.300 4.152 3.221 4.874 . 0 0 "[ . 1 . 2]" 5
337 1 100 ALA MB 1 101 THR H 4.000 . 6.000 2.920 2.703 3.074 . 0 0 "[ . 1 . 2]" 5
338 1 141 GLU H 1 142 MET H 3.000 . 4.100 2.991 2.557 3.621 . 0 0 "[ . 1 . 2]" 5
339 1 100 ALA HA 1 101 THR H 2.200 . 2.800 2.158 2.105 2.207 . 0 0 "[ . 1 . 2]" 5
340 1 129 PHE HB3 1 130 ARG H 2.100 . 3.700 2.513 2.385 2.672 . 0 0 "[ . 1 . 2]" 5
341 1 130 ARG H 1 130 ARG HB3 2.500 . 3.300 2.425 2.356 2.477 . 0 0 "[ . 1 . 2]" 5
342 1 109 LEU HA 1 110 HIS H 2.300 . 3.000 2.213 2.148 2.293 . 0 0 "[ . 1 . 2]" 5
343 1 22 THR MG 1 110 HIS H 3.900 . 5.800 3.996 2.369 4.646 . 0 0 "[ . 1 . 2]" 5
344 1 130 ARG H 1 131 LYS QB 3.800 . 5.600 4.307 4.126 4.904 . 0 0 "[ . 1 . 2]" 5
345 1 90 THR HG1 1 92 TYR H 4.500 . 6.000 5.219 3.784 5.665 . 0 0 "[ . 1 . 2]" 5
346 1 44 GLU H 1 45 ASP H 3.300 . 4.700 3.105 2.069 3.880 . 0 0 "[ . 1 . 2]" 5
347 1 45 ASP H 1 46 GLU H 2.500 . 3.300 2.434 1.887 2.989 . 0 0 "[ . 1 . 2]" 5
348 1 45 ASP H 1 45 ASP HB2 3.400 . 4.900 3.496 2.342 4.133 . 0 0 "[ . 1 . 2]" 5
349 1 44 GLU QB 1 45 ASP H 3.200 . 4.500 2.714 1.890 3.912 0.010 8 0 "[ . 1 . 2]" 5
350 1 138 TYR HA 1 139 THR H 2.300 . 2.900 2.303 2.112 2.886 . 0 0 "[ . 1 . 2]" 5
351 1 139 THR H 1 139 THR HB 3.100 . 4.300 3.120 2.339 3.656 . 0 0 "[ . 1 . 2]" 5
352 1 148 ARG HA 1 149 GLN H 2.600 . 3.400 3.021 2.352 3.366 . 0 0 "[ . 1 . 2]" 5
353 1 154 VAL H 1 154 VAL QG 2.900 . 3.900 2.210 1.915 2.622 . 0 0 "[ . 1 . 2]" 5
354 1 138 TYR HB3 1 139 THR H 4.600 . 6.000 3.891 2.801 4.499 . 0 0 "[ . 1 . 2]" 5
355 1 138 TYR QD 1 139 THR H 4.100 . 6.000 3.736 2.835 4.518 . 0 0 "[ . 1 . 2]" 5
356 1 16 VAL H 1 16 VAL MG2 4.200 . 6.000 3.233 2.267 3.985 . 0 0 "[ . 1 . 2]" 5
357 1 19 ALA HA 1 20 SER H 2.300 . 2.900 2.199 2.095 2.260 . 0 0 "[ . 1 . 2]" 5
358 1 19 ALA MB 1 20 SER H 3.500 . 5.100 3.359 3.235 3.546 . 0 0 "[ . 1 . 2]" 5
359 1 57 ASN H 1 57 ASN HA 2.200 . 2.800 2.527 2.265 2.933 0.133 15 0 "[ . 1 . 2]" 5
360 1 89 ASP H 1 97 VAL MG2 4.400 . 6.000 3.052 2.728 3.441 . 0 0 "[ . 1 . 2]" 5
361 1 89 ASP H 1 89 ASP HB2 3.800 . 5.600 3.088 2.973 3.269 . 0 0 "[ . 1 . 2]" 5
362 1 116 SER H 1 116 SER HA 2.500 . 3.300 2.936 2.919 2.948 . 0 0 "[ . 1 . 2]" 5
363 1 14 TYR HB2 1 116 SER H 3.600 . 5.200 3.271 2.461 4.961 . 0 0 "[ . 1 . 2]" 5
364 1 126 THR H 1 126 THR HB 3.000 . 4.100 2.852 2.459 3.611 . 0 0 "[ . 1 . 2]" 5
365 1 125 ALA MB 1 126 THR H 2.200 . 2.800 2.355 2.068 2.578 . 0 0 "[ . 1 . 2]" 5
366 1 93 LYS H 1 93 LYS HA 2.900 . 4.000 2.927 2.835 2.952 . 0 0 "[ . 1 . 2]" 5
367 1 93 LYS H 1 93 LYS QB 3.000 . 4.100 2.820 2.399 3.308 . 0 0 "[ . 1 . 2]" 5
368 1 93 LYS H 1 95 TYR H 3.700 . 5.400 4.424 3.378 5.393 . 0 0 "[ . 1 . 2]" 5
369 1 92 TYR HA 1 93 LYS H 3.400 . 4.900 3.360 2.923 3.585 . 0 0 "[ . 1 . 2]" 5
370 1 22 THR H 1 23 GLU HA 3.500 . 5.000 4.494 3.913 5.174 0.174 15 0 "[ . 1 . 2]" 5
371 1 21 ASN H 1 22 THR H 3.800 . 5.600 4.147 3.892 4.472 . 0 0 "[ . 1 . 2]" 5
372 1 117 ARG H 1 118 SER H 3.200 . 4.400 2.607 2.372 3.089 . 0 0 "[ . 1 . 2]" 5
373 1 118 SER H 1 118 SER HB2 2.300 . 4.000 2.726 2.655 3.178 . 0 0 "[ . 1 . 2]" 5
374 1 118 SER H 1 118 SER HB3 2.700 . 4.600 3.757 2.667 3.858 . 0 0 "[ . 1 . 2]" 5
375 1 137 ASN H 1 137 ASN QB 2.900 . 4.000 3.045 2.303 3.477 . 0 0 "[ . 1 . 2]" 5
376 1 73 GLY H 1 74 GLU H 3.600 . 5.200 3.570 2.895 4.580 . 0 0 "[ . 1 . 2]" 5
377 1 72 ASP HB2 1 73 GLY H 3.100 . 4.300 3.110 1.809 3.955 0.091 13 0 "[ . 1 . 2]" 5
378 1 42 LEU HA 1 43 GLY H 2.800 . 3.800 2.170 2.101 2.442 . 0 0 "[ . 1 . 2]" 5
379 1 43 GLY H 1 43 GLY QA 2.300 . 3.000 2.191 2.181 2.201 . 0 0 "[ . 1 . 2]" 5
380 1 72 ASP HA 1 73 GLY H 2.100 . 2.600 2.652 2.229 2.898 0.298 13 0 "[ . 1 . 2]" 5
381 1 73 GLY H 1 73 GLY HA2 2.700 . 3.600 2.408 2.294 2.718 . 0 0 "[ . 1 . 2]" 5
382 1 73 GLY H 1 73 GLY HA3 2.400 . 3.100 2.714 2.325 2.921 . 0 0 "[ . 1 . 2]" 5
383 1 43 GLY H 1 44 GLU H 4.000 . 6.000 3.908 2.852 4.620 . 0 0 "[ . 1 . 2]" 5
384 1 42 LEU H 1 43 GLY H 3.100 . 4.300 4.442 4.325 4.539 0.239 18 0 "[ . 1 . 2]" 5
385 1 43 GLY H 1 44 GLU QB 3.800 . 5.700 5.133 4.803 5.705 0.005 7 0 "[ . 1 . 2]" 5
386 1 42 LEU HB2 1 43 GLY H 3.600 . 5.200 4.148 2.281 4.482 . 0 0 "[ . 1 . 2]" 5
387 1 72 ASP HB3 1 73 GLY H 3.400 . 4.800 2.871 1.808 3.698 0.192 8 0 "[ . 1 . 2]" 5
388 1 57 ASN HA 1 58 GLY H 2.500 . 3.300 2.597 2.124 3.562 0.262 10 0 "[ . 1 . 2]" 5
389 1 134 GLY H 1 134 GLY QA 2.200 . 2.800 2.199 2.191 2.207 . 0 0 "[ . 1 . 2]" 5
390 1 133 ALA MB 1 134 GLY H 2.500 . 3.300 2.663 2.511 2.751 . 0 0 "[ . 1 . 2]" 5
391 1 57 ASN QB 1 58 GLY H 4.000 . 6.000 3.718 2.391 4.000 . 0 0 "[ . 1 . 2]" 5
392 1 106 GLY H 1 107 ARG H 3.500 . 5.100 2.649 2.127 3.108 . 0 0 "[ . 1 . 2]" 5
393 1 105 ASP HA 1 106 GLY H 2.400 . 3.100 2.834 2.507 3.207 0.107 10 0 "[ . 1 . 2]" 5
394 1 106 GLY H 1 106 GLY HA2 2.600 . 3.500 2.508 2.291 2.946 . 0 0 "[ . 1 . 2]" 5
395 1 100 ALA H 1 100 ALA MB 2.800 . 3.800 2.377 2.185 2.686 . 0 0 "[ . 1 . 2]" 5
396 1 99 TYR HA 1 100 ALA H 2.300 . 2.900 2.170 2.124 2.290 . 0 0 "[ . 1 . 2]" 5
397 1 135 GLU H 1 135 GLU QG 2.800 . 3.800 2.012 1.932 2.117 . 0 0 "[ . 1 . 2]" 5
398 1 123 PRO HA 1 124 ALA H 3.000 . 4.100 3.531 3.510 3.547 . 0 0 "[ . 1 . 2]" 5
399 1 41 PHE HA 1 42 LEU H 3.000 . 4.100 2.173 2.138 2.254 . 0 0 "[ . 1 . 2]" 5
400 1 50 SER HA 1 51 TYR H 2.400 . 3.100 2.216 2.145 2.296 . 0 0 "[ . 1 . 2]" 5
401 1 66 PHE HA 1 67 LYS H 2.100 . 2.700 2.206 2.113 2.398 . 0 0 "[ . 1 . 2]" 5
402 1 69 THR HA 1 70 SER H 2.000 . 2.500 2.342 2.221 2.501 0.001 8 0 "[ . 1 . 2]" 5
403 1 79 GLU HA 1 80 GLU H 3.000 . 4.100 2.361 2.088 2.831 . 0 0 "[ . 1 . 2]" 5
404 1 89 ASP HA 1 90 THR H 2.200 . 6.000 3.322 3.152 3.568 . 0 0 "[ . 1 . 2]" 5
405 1 107 ARG HA 1 108 THR H 2.100 . 2.600 2.190 2.140 2.236 . 0 0 "[ . 1 . 2]" 5
406 1 120 GLU H 1 120 GLU HB2 2.400 . 3.100 2.561 2.372 2.697 . 0 0 "[ . 1 . 2]" 5
407 1 132 LEU HA 1 133 ALA H 2.900 . 4.000 3.514 3.485 3.535 . 0 0 "[ . 1 . 2]" 5
408 1 133 ALA HA 1 134 GLY H 3.100 . 4.300 3.530 3.508 3.555 . 0 0 "[ . 1 . 2]" 5
409 1 136 ARG HA 1 137 ASN H 2.200 . 6.000 3.319 2.594 3.593 . 0 0 "[ . 1 . 2]" 5
410 1 147 PRO HB3 1 148 ARG H 3.800 . 5.600 3.593 2.660 4.594 . 0 0 "[ . 1 . 2]" 5
411 1 22 THR HA 1 23 GLU H 2.800 . 3.800 3.011 2.138 3.563 . 0 0 "[ . 1 . 2]" 5
412 1 18 LEU HA 1 19 ALA H 2.500 . 3.300 2.555 2.293 2.647 . 0 0 "[ . 1 . 2]" 5
413 1 8 GLU H 1 9 ILE H 2.400 . 3.100 2.883 2.821 2.991 . 0 0 "[ . 1 . 2]" 5
414 1 139 THR MG 1 140 ASP H 2.900 . 4.900 3.430 1.750 4.420 0.150 1 0 "[ . 1 . 2]" 5
415 1 139 THR HB 1 140 ASP H 2.200 . 6.000 3.841 2.573 4.696 . 0 0 "[ . 1 . 2]" 5
416 1 11 GLY HA2 1 12 LYS H 3.000 . 4.100 3.036 2.892 3.226 . 0 0 "[ . 1 . 2]" 5
417 1 11 GLY HA3 1 12 LYS H 2.400 . 3.100 2.199 2.150 2.280 . 0 0 "[ . 1 . 2]" 5
418 1 139 THR H 1 140 ASP H 4.300 . 6.000 3.312 2.222 4.573 . 0 0 "[ . 1 . 2]" 5
419 1 102 ARG H 1 110 HIS HA 4.400 . 6.000 4.055 2.887 4.412 . 0 0 "[ . 1 . 2]" 5
420 1 117 ARG HB3 1 118 SER H 2.800 . 3.800 3.506 2.581 3.806 0.006 14 0 "[ . 1 . 2]" 5
421 1 16 VAL H 1 16 VAL MG1 3.700 . 5.400 2.925 2.182 3.802 . 0 0 "[ . 1 . 2]" 5
422 1 89 ASP H 1 97 VAL H 3.200 . 4.500 4.454 4.045 4.794 0.294 19 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 45
_Distance_constraint_stats_list.Viol_count 157
_Distance_constraint_stats_list.Viol_total 444.299
_Distance_constraint_stats_list.Viol_max 0.435
_Distance_constraint_stats_list.Viol_rms 0.0686
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0247
_Distance_constraint_stats_list.Viol_average_violations_only 0.1415
_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 4 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.197 0.067 18 0 "[ . 1 . 2]"
1 10 ALA 0.197 0.067 18 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.390 0.183 20 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 1.521 0.245 14 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 4.153 0.357 17 0 "[ . 1 . 2]"
1 48 LYS 4.661 0.357 17 0 "[ . 1 . 2]"
1 49 VAL 6.182 0.357 17 0 "[ . 1 . 2]"
1 50 SER 0.508 0.217 15 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 1.521 0.245 14 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 3.584 0.373 9 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 1.521 0.245 14 0 "[ . 1 . 2]"
1 87 VAL 2.115 0.260 14 0 "[ . 1 . 2]"
1 88 LEU 3.584 0.373 9 0 "[ . 1 . 2]"
1 89 ASP 2.115 0.260 14 0 "[ . 1 . 2]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 2.115 0.260 14 0 "[ . 1 . 2]"
1 93 LYS 1.202 0.329 9 0 "[ . 1 . 2]"
1 94 SER 1.202 0.329 9 0 "[ . 1 . 2]"
1 97 VAL 2.858 0.350 15 0 "[ . 1 . 2]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 TYR 3.584 0.373 9 0 "[ . 1 . 2]"
1 102 ARG 3.584 0.373 9 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 SER 3.248 0.350 15 0 "[ . 1 . 2]"
1 117 ARG 1.202 0.329 9 0 "[ . 1 . 2]"
1 118 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 0.450 0.183 20 0 "[ . 1 . 2]"
1 122 SER 0.059 0.047 7 0 "[ . 1 . 2]"
1 123 PRO 0.091 0.061 16 0 "[ . 1 . 2]"
1 124 ALA 3.681 0.350 15 0 "[ . 1 . 2]"
1 125 ALA 0.091 0.061 16 0 "[ . 1 . 2]"
1 126 THR 0.091 0.061 16 0 "[ . 1 . 2]"
1 127 ALA 0.883 0.059 13 0 "[ . 1 . 2]"
1 128 ILE 0.091 0.061 16 0 "[ . 1 . 2]"
1 130 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 2.516 0.435 7 0 "[ . 1 . 2]"
1 140 ASP 4.714 0.435 7 0 "[ . 1 . 2]"
1 141 GLU 4.714 0.435 7 0 "[ . 1 . 2]"
1 143 VAL 4.714 0.435 7 0 "[ . 1 . 2]"
1 151 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 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 90 THR H 1 90 THR HB 3.100 . 4.300 2.828 2.588 3.566 . 0 0 "[ . 1 . 2]" 6
2 1 16 VAL MG2 1 116 SER HB3 3.100 . 4.300 3.767 3.108 4.483 0.183 20 0 "[ . 1 . 2]" 6
3 1 40 SER HB3 1 48 LYS QB 3.900 . 5.800 5.305 4.734 6.157 0.357 17 0 "[ . 1 . 2]" 6
4 1 40 SER HB2 1 48 LYS QB 3.200 . 6.000 6.047 4.751 6.356 0.356 18 0 "[ . 1 . 2]" 6
5 1 123 PRO HA 1 124 ALA HA 2.700 . 6.000 4.581 4.550 4.618 . 0 0 "[ . 1 . 2]" 6
6 1 123 PRO HA 1 125 ALA MB 3.500 . 5.000 3.522 1.939 4.275 0.061 16 0 "[ . 1 . 2]" 6
7 1 48 LYS HB2 1 50 SER HB2 4.200 . 6.000 5.663 5.141 6.217 0.217 15 0 "[ . 1 . 2]" 6
8 1 9 ILE HA 1 9 ILE HG13 2.700 . 3.600 3.492 3.090 3.667 0.067 18 0 "[ . 1 . 2]" 6
9 1 9 ILE H 1 9 ILE HA 2.700 . 3.600 2.604 2.382 2.781 . 0 0 "[ . 1 . 2]" 6
10 1 87 VAL HA 1 98 ILE H 3.900 . 5.800 3.348 2.383 3.914 . 0 0 "[ . 1 . 2]" 6
11 1 7 SER HA 1 9 ILE HG13 3.700 . 5.400 2.403 2.089 3.479 . 0 0 "[ . 1 . 2]" 6
12 1 74 GLU HG3 1 75 VAL HA 4.800 . 6.000 4.065 3.540 4.563 . 0 0 "[ . 1 . 2]" 6
13 1 91 ASP H 1 92 TYR HA 2.900 . 4.000 2.907 2.037 3.279 . 0 0 "[ . 1 . 2]" 6
14 1 127 ALA HA 1 130 ARG HA 3.700 . 5.400 4.522 4.451 4.586 . 0 0 "[ . 1 . 2]" 6
15 1 132 LEU QD 1 135 GLU HA 2.200 . 6.000 5.564 4.821 5.943 . 0 0 "[ . 1 . 2]" 6
16 1 141 GLU HA 1 141 GLU QG 2.300 . 3.000 2.672 2.355 2.997 . 0 0 "[ . 1 . 2]" 6
17 1 138 TYR QD 1 140 ASP HA 3.000 . 4.100 4.094 3.334 4.535 0.435 7 0 "[ . 1 . 2]" 6
18 1 140 ASP HA 1 143 VAL HA 3.400 . 6.000 5.234 4.175 6.334 0.334 20 0 "[ . 1 . 2]" 6
19 1 140 ASP HA 1 143 VAL QG 3.000 . 4.200 2.626 1.898 4.463 0.263 10 0 "[ . 1 . 2]" 6
20 1 6 ARG HA 1 6 ARG QB 2.200 . 2.800 2.067 2.006 2.148 . 0 0 "[ . 1 . 2]" 6
21 1 98 ILE H 1 98 ILE HA 2.200 . 2.800 2.096 2.069 2.140 . 0 0 "[ . 1 . 2]" 6
22 1 87 VAL MG2 1 98 ILE HA 3.000 . 4.200 2.643 1.914 3.559 . 0 0 "[ . 1 . 2]" 6
23 1 131 LYS HB2 1 132 LEU HA 2.300 . 6.000 5.230 4.394 5.569 . 0 0 "[ . 1 . 2]" 6
24 1 99 TYR HA 1 112 MET HG2 2.900 . 4.000 2.553 1.853 2.997 . 0 0 "[ . 1 . 2]" 6
25 1 20 SER HA 1 143 VAL HA 4.200 . 6.000 4.424 3.434 5.686 . 0 0 "[ . 1 . 2]" 6
26 1 30 ASP HA 1 31 LYS H 3.100 . 4.300 2.753 2.681 2.818 . 0 0 "[ . 1 . 2]" 6
27 1 124 ALA HA 1 127 ALA MB 1.800 . 2.200 2.040 1.992 2.068 . 0 0 "[ . 1 . 2]" 6
28 1 124 ALA HA 1 127 ALA H 2.100 . 2.700 2.741 2.720 2.759 0.059 13 0 "[ . 1 . 2]" 6
29 1 136 ARG HA 1 137 ASN H 2.200 . 2.800 2.517 2.133 2.750 . 0 0 "[ . 1 . 2]" 6
30 1 136 ARG H 1 136 ARG HA 2.600 . 3.500 2.857 2.809 2.903 . 0 0 "[ . 1 . 2]" 6
31 1 38 ARG HA 1 39 ILE MG 5.000 . 6.000 3.782 3.346 5.006 . 0 0 "[ . 1 . 2]" 6
32 1 12 LYS QB 1 38 ARG HA 3.600 . 6.000 4.034 3.519 4.585 . 0 0 "[ . 1 . 2]" 6
33 1 155 ASP H 1 155 ASP HA 2.200 . 2.800 2.188 2.098 2.449 . 0 0 "[ . 1 . 2]" 6
34 1 67 LYS H 1 67 LYS HA 2.500 . 3.300 2.141 2.070 2.273 . 0 0 "[ . 1 . 2]" 6
35 1 22 THR MG 1 83 LYS HA 1.900 . 6.000 6.051 5.719 6.245 0.245 14 0 "[ . 1 . 2]" 6
36 1 4 PRO HB2 1 5 ASP HA 3.900 . 5.800 4.344 3.770 5.011 . 0 0 "[ . 1 . 2]" 6
37 1 97 VAL MG1 1 116 SER HA 3.800 . 5.600 5.743 5.622 5.950 0.350 15 0 "[ . 1 . 2]" 6
38 1 116 SER HA 1 117 ARG HB2 4.600 . 6.000 4.506 4.189 5.427 . 0 0 "[ . 1 . 2]" 6
39 1 51 TYR HA 1 63 GLU HA 3.600 . 5.300 4.190 4.130 4.230 . 0 0 "[ . 1 . 2]" 6
40 1 76 TYR HA 1 88 LEU H 4.300 . 6.000 6.166 5.773 6.373 0.373 9 0 "[ . 1 . 2]" 6
41 1 93 LYS HG2 1 94 SER HB2 4.600 . 6.000 5.045 3.648 6.329 0.329 9 0 "[ . 1 . 2]" 6
42 1 116 SER HB3 1 118 SER H 4.800 . 6.000 4.426 3.748 5.142 . 0 0 "[ . 1 . 2]" 6
43 1 121 VAL H 1 122 SER HB3 4.100 . 6.000 5.862 5.639 6.047 0.047 7 0 "[ . 1 . 2]" 6
44 1 87 VAL HA 1 89 ASP H 4.600 . 6.000 6.096 5.918 6.260 0.260 14 0 "[ . 1 . 2]" 6
45 1 9 ILE HG13 1 92 TYR HA 4.000 . 6.000 4.275 3.605 4.867 . 0 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 163
_Distance_constraint_stats_list.Viol_count 347
_Distance_constraint_stats_list.Viol_total 1194.326
_Distance_constraint_stats_list.Viol_max 0.748
_Distance_constraint_stats_list.Viol_rms 0.0697
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0183
_Distance_constraint_stats_list.Viol_average_violations_only 0.1721
_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 6 ARG 0.318 0.164 14 0 "[ . 1 . 2]"
1 8 GLU 0.087 0.062 7 0 "[ . 1 . 2]"
1 9 ILE 0.087 0.062 7 0 "[ . 1 . 2]"
1 12 LYS 1.611 0.289 6 0 "[ . 1 . 2]"
1 13 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.749 0.316 1 0 "[ . 1 . 2]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.749 0.316 1 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 0.257 0.176 14 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.785 0.261 15 0 "[ . 1 . 2]"
1 33 LYS 0.785 0.261 15 0 "[ . 1 . 2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 1.828 0.289 6 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.939 0.340 8 0 "[ . 1 . 2]"
1 45 ASP 0.939 0.340 8 0 "[ . 1 . 2]"
1 46 GLU 11.904 0.748 5 6 "[ + **1* -. *2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.217 0.132 11 0 "[ . 1 . 2]"
1 50 SER 0.002 0.002 4 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.002 0.002 4 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 7.947 0.748 5 4 "[ + * 1 -. *2]"
1 67 LYS 4.336 0.715 11 2 "[ . -1+ . 2]"
1 69 THR 0.504 0.274 4 0 "[ . 1 . 2]"
1 71 ASP 0.903 0.165 9 0 "[ . 1 . 2]"
1 72 ASP 0.253 0.063 15 0 "[ . 1 . 2]"
1 75 VAL 2.119 0.404 18 0 "[ . 1 . 2]"
1 76 TYR 1.563 0.404 18 0 "[ . 1 . 2]"
1 77 TYR 0.504 0.274 4 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 1.738 0.295 19 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.323 0.229 6 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.447 0.229 6 0 "[ . 1 . 2]"
1 90 THR 0.099 0.099 6 0 "[ . 1 . 2]"
1 92 TYR 1.038 0.312 3 0 "[ . 1 . 2]"
1 93 LYS 3.272 0.292 13 0 "[ . 1 . 2]"
1 95 TYR 3.139 0.292 13 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 10.159 0.651 3 4 "[ + . 1 . -* *]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 TYR 0.382 0.097 18 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.800 0.195 19 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.800 0.195 19 0 "[ . 1 . 2]"
1 105 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 1.576 0.184 6 0 "[ . 1 . 2]"
1 107 ARG 3.656 0.195 19 0 "[ . 1 . 2]"
1 109 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 11.498 0.651 3 4 "[ + . 1 . -* *]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ARG 0.939 0.312 3 0 "[ . 1 . 2]"
1 118 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 0.939 0.312 3 0 "[ . 1 . 2]"
1 126 THR 0.213 0.059 12 0 "[ . 1 . 2]"
1 127 ALA 0.213 0.059 12 0 "[ . 1 . 2]"
1 128 ILE 1.838 0.282 9 0 "[ . 1 . 2]"
1 129 PHE 2.295 0.345 17 0 "[ . 1 . 2]"
1 130 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LYS 1.289 0.229 9 0 "[ . 1 . 2]"
1 132 LEU 1.784 0.241 19 0 "[ . 1 . 2]"
1 133 ALA 2.899 0.289 6 0 "[ . 1 . 2]"
1 135 GLU 3.045 0.267 2 0 "[ . 1 . 2]"
1 136 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 5.754 0.580 17 2 "[ . 1 -. + 2]"
1 139 THR 4.564 0.413 12 0 "[ . 1 . 2]"
1 140 ASP 0.848 0.302 20 0 "[ . 1 . 2]"
1 141 GLU 2.362 0.413 12 0 "[ . 1 . 2]"
1 142 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 VAL 5.754 0.580 17 2 "[ . 1 -. + 2]"
1 147 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ARG 0.085 0.085 14 0 "[ . 1 . 2]"
1 149 GLN 2.338 0.413 12 0 "[ . 1 . 2]"
1 150 GLU 3.487 0.413 12 0 "[ . 1 . 2]"
1 151 GLU 0.116 0.116 13 0 "[ . 1 . 2]"
1 153 THR 1.149 0.238 14 0 "[ . 1 . 2]"
1 155 ASP 1.764 0.423 17 0 "[ . 1 . 2]"
1 156 GLU 2.997 0.423 17 0 "[ . 1 . 2]"
1 157 VAL 1.257 0.380 13 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 1 117 ARG HA 1 117 ARG HB2 2.500 . 3.300 2.952 2.414 3.020 . 0 0 "[ . 1 . 2]" 7
2 1 125 ALA HA 1 127 ALA H 4.100 . 6.000 4.960 4.896 5.026 . 0 0 "[ . 1 . 2]" 7
3 1 89 ASP HB3 1 132 LEU QD 3.200 . 6.000 5.442 4.301 6.091 0.091 13 0 "[ . 1 . 2]" 7
4 1 89 ASP HA 1 89 ASP HB2 2.900 . 4.000 2.544 2.390 2.639 . 0 0 "[ . 1 . 2]" 7
5 1 77 TYR H 1 77 TYR QB 3.400 . 4.800 2.553 2.175 3.053 . 0 0 "[ . 1 . 2]" 7
6 1 69 THR MG 1 77 TYR QB 2.200 . 6.000 5.395 3.698 6.274 0.274 4 0 "[ . 1 . 2]" 7
7 1 77 TYR QB 1 77 TYR QD 2.800 . 3.800 2.166 2.134 2.218 . 0 0 "[ . 1 . 2]" 7
8 1 6 ARG H 1 6 ARG QD 4.100 . 6.000 3.469 1.836 4.738 0.164 14 0 "[ . 1 . 2]" 7
9 1 107 ARG QD 1 107 ARG HG2 1.600 . 2.200 2.252 2.169 2.349 0.149 2 0 "[ . 1 . 2]" 7
10 1 106 GLY HA2 1 107 ARG QD 4.000 . 6.000 5.758 4.114 6.184 0.184 6 0 "[ . 1 . 2]" 7
11 1 42 LEU HA 1 42 LEU HB3 2.800 . 3.800 2.747 2.348 3.022 . 0 0 "[ . 1 . 2]" 7
12 1 76 TYR QB 1 76 TYR QD 4.900 . 6.000 2.173 2.126 2.279 . 0 0 "[ . 1 . 2]" 7
13 1 93 LYS HB2 1 93 LYS HE3 2.000 . 2.500 2.025 1.970 2.088 . 0 0 "[ . 1 . 2]" 7
14 1 71 ASP HB2 1 72 ASP H 3.700 . 5.400 3.489 2.436 4.010 . 0 0 "[ . 1 . 2]" 7
15 1 71 ASP HB2 1 75 VAL MG2 5.100 . 7.000 6.244 2.030 7.148 0.148 14 0 "[ . 1 . 2]" 7
16 1 93 LYS QE 1 93 LYS HG2 2.600 . 3.500 2.815 2.356 3.530 0.030 16 0 "[ . 1 . 2]" 7
17 1 45 ASP H 1 45 ASP HB3 4.200 . 6.000 3.519 2.483 4.093 . 0 0 "[ . 1 . 2]" 7
18 1 44 GLU H 1 45 ASP HB3 4.700 . 6.000 5.723 4.937 6.340 0.340 8 0 "[ . 1 . 2]" 7
19 1 71 ASP H 1 71 ASP HB3 2.700 . 3.600 2.957 2.479 3.765 0.165 9 0 "[ . 1 . 2]" 7
20 1 95 TYR HB3 1 95 TYR QD 3.300 . 4.600 2.290 2.267 2.328 . 0 0 "[ . 1 . 2]" 7
21 1 37 ALA MB 1 51 TYR HB2 3.900 . 5.800 3.127 2.574 4.196 . 0 0 "[ . 1 . 2]" 7
22 1 155 ASP HA 1 155 ASP HB2 2.000 . 2.500 2.466 2.437 2.519 0.019 5 0 "[ . 1 . 2]" 7
23 1 97 VAL HA 1 98 ILE HB 4.600 . 6.000 4.658 4.438 5.484 . 0 0 "[ . 1 . 2]" 7
24 1 97 VAL MG2 1 98 ILE HB 4.100 . 6.000 5.003 4.678 5.521 . 0 0 "[ . 1 . 2]" 7
25 1 98 ILE HB 1 98 ILE MG 2.300 . 3.000 2.100 2.071 2.124 . 0 0 "[ . 1 . 2]" 7
26 1 132 LEU H 1 132 LEU QB 4.100 . 6.000 2.336 2.142 2.524 . 0 0 "[ . 1 . 2]" 7
27 1 97 VAL MG2 1 132 LEU QB 3.100 . 4.300 4.209 3.529 4.541 0.241 19 0 "[ . 1 . 2]" 7
28 1 132 LEU QB 1 132 LEU QD 2.400 . 3.100 1.911 1.863 2.023 . 0 0 "[ . 1 . 2]" 7
29 1 72 ASP HA 1 72 ASP HB3 2.300 . 3.000 2.685 2.435 3.033 0.033 17 0 "[ . 1 . 2]" 7
30 1 140 ASP H 1 140 ASP QB 2.200 . 2.800 2.387 2.247 2.580 . 0 0 "[ . 1 . 2]" 7
31 1 139 THR HB 1 140 ASP QB 4.500 . 6.000 5.614 4.017 6.302 0.302 20 0 "[ . 1 . 2]" 7
32 1 99 TYR QB 1 112 MET QB 3.500 . 5.000 3.566 3.086 4.126 . 0 0 "[ . 1 . 2]" 7
33 1 19 ALA MB 1 99 TYR QB 4.400 . 6.000 4.930 4.403 5.807 . 0 0 "[ . 1 . 2]" 7
34 1 14 TYR HB2 1 16 VAL MG2 4.200 . 6.000 5.234 3.933 6.316 0.316 1 0 "[ . 1 . 2]" 7
35 1 30 ASP H 1 30 ASP HB2 2.300 . 3.000 2.531 2.419 2.617 . 0 0 "[ . 1 . 2]" 7
36 1 104 LYS QG 1 105 ASP HB3 2.800 . 6.000 4.247 2.799 5.218 . 0 0 "[ . 1 . 2]" 7
37 1 9 ILE HB 1 9 ILE HG12 2.500 . 3.300 2.566 2.369 3.014 . 0 0 "[ . 1 . 2]" 7
38 1 9 ILE HB 1 9 ILE MG 2.300 . 3.000 2.103 2.084 2.130 . 0 0 "[ . 1 . 2]" 7
39 1 21 ASN HB2 1 141 GLU QG 2.800 . 6.000 4.425 3.318 6.176 0.176 14 0 "[ . 1 . 2]" 7
40 1 21 ASN HB3 1 21 ASN HD21 3.200 . 4.500 3.025 2.149 3.569 . 0 0 "[ . 1 . 2]" 7
41 1 21 ASN HB2 1 21 ASN HD21 4.000 . 6.000 2.921 2.081 3.535 . 0 0 "[ . 1 . 2]" 7
42 1 128 ILE HB 1 128 ILE MD 2.600 . 3.400 2.401 2.301 2.548 . 0 0 "[ . 1 . 2]" 7
43 1 127 ALA H 1 128 ILE HB 4.600 . 6.000 4.963 4.927 4.997 . 0 0 "[ . 1 . 2]" 7
44 1 128 ILE HB 1 129 PHE HA 4.100 . 6.000 4.342 4.283 4.455 . 0 0 "[ . 1 . 2]" 7
45 1 128 ILE HA 1 128 ILE HB 3.000 . 4.100 3.020 3.010 3.023 . 0 0 "[ . 1 . 2]" 7
46 1 57 ASN QB 1 57 ASN HD21 3.600 . 5.300 2.257 2.084 2.938 . 0 0 "[ . 1 . 2]" 7
47 1 57 ASN H 1 57 ASN QB 3.600 . 5.200 2.966 2.272 3.484 . 0 0 "[ . 1 . 2]" 7
48 1 15 VAL H 1 36 MET QB 3.500 . 6.000 4.687 4.011 5.480 . 0 0 "[ . 1 . 2]" 7
49 1 14 TYR QE 1 36 MET QB 2.500 . 6.000 4.740 3.409 5.592 . 0 0 "[ . 1 . 2]" 7
50 1 46 GLU HA 1 46 GLU HG3 3.400 . 4.800 3.108 2.320 4.243 . 0 0 "[ . 1 . 2]" 7
51 1 46 GLU HA 1 46 GLU HG2 3.200 . 4.400 2.887 2.519 3.712 . 0 0 "[ . 1 . 2]" 7
52 1 46 GLU HG2 1 67 LYS QG 2.600 . 3.500 3.658 3.139 4.215 0.715 11 2 "[ . -1+ . 2]" 7
53 1 8 GLU HG3 1 9 ILE H 3.600 . 5.200 2.449 2.203 2.887 . 0 0 "[ . 1 . 2]" 7
54 1 8 GLU HG3 1 9 ILE MD 4.700 . 6.000 3.168 1.976 4.398 0.024 12 0 "[ . 1 . 2]" 7
55 1 93 LYS QB 1 95 TYR H 5.500 . 6.000 4.908 2.989 6.292 0.292 13 0 "[ . 1 . 2]" 7
56 1 93 LYS HA 1 93 LYS QB 2.400 . 3.100 2.291 2.150 2.476 . 0 0 "[ . 1 . 2]" 7
57 1 93 LYS QB 1 93 LYS QG 2.100 . 2.700 2.022 1.971 2.090 . 0 0 "[ . 1 . 2]" 7
58 1 8 GLU HG3 1 9 ILE HG13 3.300 . 4.700 3.391 1.838 4.370 0.062 7 0 "[ . 1 . 2]" 7
59 1 151 GLU H 1 151 GLU HG3 3.100 . 4.300 3.646 2.787 4.416 0.116 13 0 "[ . 1 . 2]" 7
60 1 151 GLU HA 1 151 GLU HG3 3.400 . 4.800 3.727 3.104 4.237 . 0 0 "[ . 1 . 2]" 7
61 1 133 ALA H 1 135 GLU HG2 2.900 . 6.000 5.474 4.600 6.267 0.267 2 0 "[ . 1 . 2]" 7
62 1 138 TYR QB 1 143 VAL QG 3.200 . 6.000 5.577 4.352 6.255 0.255 14 0 "[ . 1 . 2]" 7
63 1 138 TYR HB3 1 143 VAL QG 2.900 . 6.000 6.013 4.970 6.580 0.580 17 2 "[ . 1 -. + 2]" 7
64 1 135 GLU H 1 135 GLU HG3 2.600 . 3.500 2.864 1.955 3.608 0.108 19 0 "[ . 1 . 2]" 7
65 1 135 GLU HG3 1 136 ARG H 4.500 . 6.000 4.300 2.309 5.095 . 0 0 "[ . 1 . 2]" 7
66 1 131 LYS HA 1 135 GLU HG3 2.300 . 6.000 5.474 4.590 6.229 0.229 9 0 "[ . 1 . 2]" 7
67 1 44 GLU QG 1 46 GLU H 4.100 . 6.000 5.279 4.209 5.675 . 0 0 "[ . 1 . 2]" 7
68 1 156 GLU HG3 1 157 VAL QG 2.500 . 3.300 2.797 1.804 3.680 0.380 13 0 "[ . 1 . 2]" 7
69 1 135 GLU H 1 135 GLU HG2 3.300 . 4.700 2.524 2.013 3.475 . 0 0 "[ . 1 . 2]" 7
70 1 137 ASN HB2 1 137 ASN HD22 3.600 . 5.200 3.785 3.426 3.978 . 0 0 "[ . 1 . 2]" 7
71 1 135 GLU HG2 1 136 ARG H 3.800 . 5.600 4.358 3.795 4.967 . 0 0 "[ . 1 . 2]" 7
72 1 97 VAL MG2 1 112 MET QB 3.600 . 5.300 5.467 5.157 5.710 0.410 20 0 "[ . 1 . 2]" 7
73 1 65 THR MG 1 67 LYS HB3 3.800 . 5.600 3.269 2.921 3.705 . 0 0 "[ . 1 . 2]" 7
74 1 137 ASN H 1 137 ASN HB3 3.100 . 4.300 3.432 2.996 4.098 . 0 0 "[ . 1 . 2]" 7
75 1 137 ASN HB3 1 137 ASN HD21 3.800 . 5.600 2.634 2.105 3.395 . 0 0 "[ . 1 . 2]" 7
76 1 137 ASN HA 1 137 ASN HB3 2.700 . 3.600 2.800 2.414 3.033 . 0 0 "[ . 1 . 2]" 7
77 1 137 ASN H 1 137 ASN HB2 3.300 . 4.700 3.545 2.332 4.213 . 0 0 "[ . 1 . 2]" 7
78 1 137 ASN HB2 1 137 ASN HD21 3.900 . 5.800 2.902 2.106 3.333 . 0 0 "[ . 1 . 2]" 7
79 1 80 GLU HA 1 80 GLU HG3 2.000 . 3.500 3.188 2.382 3.795 0.295 19 0 "[ . 1 . 2]" 7
80 1 44 GLU H 1 44 GLU QG 3.500 . 5.000 3.060 2.136 3.450 . 0 0 "[ . 1 . 2]" 7
81 1 43 GLY QA 1 44 GLU QG 3.000 . 4.100 3.428 3.147 3.926 . 0 0 "[ . 1 . 2]" 7
82 1 156 GLU H 1 156 GLU HG2 4.200 . 6.000 3.699 2.767 4.914 . 0 0 "[ . 1 . 2]" 7
83 1 156 GLU HA 1 156 GLU HG2 3.600 . 5.200 3.563 2.510 3.792 . 0 0 "[ . 1 . 2]" 7
84 1 156 GLU HG2 1 157 VAL QG 3.000 . 4.100 3.477 1.881 4.285 0.185 13 0 "[ . 1 . 2]" 7
85 1 112 MET QB 1 129 PHE QD 3.100 . 4.300 4.264 3.925 4.559 0.259 6 0 "[ . 1 . 2]" 7
86 1 150 GLU H 1 150 GLU QG 2.500 . 3.300 2.264 1.890 3.088 . 0 0 "[ . 1 . 2]" 7
87 1 150 GLU QG 1 151 GLU H 4.700 . 6.000 4.056 2.657 4.866 . 0 0 "[ . 1 . 2]" 7
88 1 150 GLU QG 1 153 THR MG 4.000 . 6.000 5.424 2.483 6.238 0.238 14 0 "[ . 1 . 2]" 7
89 1 67 LYS HB3 1 67 LYS QE 4.400 . 6.000 2.829 1.831 4.198 0.169 19 0 "[ . 1 . 2]" 7
90 1 156 GLU H 1 156 GLU HG3 3.000 . 6.000 4.150 3.350 5.301 . 0 0 "[ . 1 . 2]" 7
91 1 155 ASP HA 1 156 GLU HG2 2.700 . 6.000 4.935 3.696 6.423 0.423 17 0 "[ . 1 . 2]" 7
92 1 63 GLU HA 1 63 GLU QG 3.500 . 5.000 2.918 2.438 3.512 . 0 0 "[ . 1 . 2]" 7
93 1 112 MET QB 1 143 VAL HA 3.000 . 6.000 5.019 4.699 5.378 . 0 0 "[ . 1 . 2]" 7
94 1 150 GLU HA 1 150 GLU QG 2.800 . 3.800 2.981 2.371 3.510 . 0 0 "[ . 1 . 2]" 7
95 1 63 GLU QG 1 64 THR H 3.900 . 5.800 3.953 2.360 4.674 . 0 0 "[ . 1 . 2]" 7
96 1 120 GLU H 1 120 GLU QG 3.600 . 5.200 3.684 2.119 4.026 . 0 0 "[ . 1 . 2]" 7
97 1 67 LYS HB2 1 67 LYS QE 4.400 . 6.000 3.472 2.015 4.529 . 0 0 "[ . 1 . 2]" 7
98 1 120 GLU QB 1 120 GLU QG 1.900 . 2.300 2.034 1.984 2.087 . 0 0 "[ . 1 . 2]" 7
99 1 120 GLU QG 1 121 VAL H 4.300 . 6.000 3.790 2.317 4.814 . 0 0 "[ . 1 . 2]" 7
100 1 120 GLU HA 1 120 GLU QG 2.700 . 3.600 2.750 2.416 3.057 . 0 0 "[ . 1 . 2]" 7
101 1 79 GLU H 1 79 GLU QG 3.800 . 5.600 3.372 2.428 4.285 . 0 0 "[ . 1 . 2]" 7
102 1 104 LYS QB 1 104 LYS QG 2.900 . 3.900 2.052 1.992 2.088 . 0 0 "[ . 1 . 2]" 7
103 1 48 LYS HA 1 48 LYS QB 3.200 . 4.400 2.175 2.161 2.304 . 0 0 "[ . 1 . 2]" 7
104 1 63 GLU H 1 63 GLU QB 4.100 . 6.000 2.793 2.369 3.130 . 0 0 "[ . 1 . 2]" 7
105 1 49 VAL H 1 49 VAL HB 2.700 . 3.600 3.182 2.937 3.299 . 0 0 "[ . 1 . 2]" 7
106 1 39 ILE MD 1 49 VAL HB 2.400 . 4.100 3.384 2.552 4.232 0.132 11 0 "[ . 1 . 2]" 7
107 1 13 TRP H 1 13 TRP HB2 4.200 . 6.000 2.521 2.331 3.816 . 0 0 "[ . 1 . 2]" 7
108 1 13 TRP HB2 1 13 TRP HD1 3.700 . 5.400 3.476 3.243 3.713 . 0 0 "[ . 1 . 2]" 7
109 1 63 GLU QB 1 63 GLU QG 2.100 . 2.700 2.051 1.990 2.086 . 0 0 "[ . 1 . 2]" 7
110 1 63 GLU QB 1 64 THR H 3.400 . 4.800 2.987 2.812 3.586 . 0 0 "[ . 1 . 2]" 7
111 1 50 SER HA 1 63 GLU QB 3.300 . 6.000 5.372 4.903 6.002 0.002 4 0 "[ . 1 . 2]" 7
112 1 12 LYS HA 1 12 LYS QB 4.000 . 6.000 2.297 2.166 2.391 . 0 0 "[ . 1 . 2]" 7
113 1 46 GLU QB 1 47 LEU H 3.800 . 5.600 2.907 2.526 3.183 . 0 0 "[ . 1 . 2]" 7
114 1 46 GLU QB 1 48 LYS QG 3.300 . 6.000 5.083 4.659 5.787 . 0 0 "[ . 1 . 2]" 7
115 1 46 GLU QB 1 67 LYS QG 3.000 . 4.100 2.484 1.902 3.278 . 0 0 "[ . 1 . 2]" 7
116 1 46 GLU QB 1 65 THR MG 3.800 . 5.600 5.997 5.840 6.348 0.748 5 4 "[ + * 1 -. *2]" 7
117 1 97 VAL MG2 1 112 MET QG 3.400 . 4.900 5.140 4.436 5.551 0.651 3 4 "[ + . 1 . -* *]" 7
118 1 112 MET QG 1 129 PHE QD 3.300 . 4.700 4.467 3.409 5.045 0.345 17 0 "[ . 1 . 2]" 7
119 1 99 TYR HA 1 112 MET QG 3.600 . 5.200 2.859 1.903 3.583 0.097 18 0 "[ . 1 . 2]" 7
120 1 143 VAL HB 1 143 VAL QG 1.800 . 2.200 1.884 1.868 1.894 . 0 0 "[ . 1 . 2]" 7
121 1 143 VAL HA 1 143 VAL HB 2.500 . 3.300 2.822 2.373 3.033 . 0 0 "[ . 1 . 2]" 7
122 1 75 VAL H 1 75 VAL HB 3.300 . 4.600 3.159 2.514 3.584 . 0 0 "[ . 1 . 2]" 7
123 1 157 VAL H 1 157 VAL HB 3.700 . 5.400 3.578 2.993 3.985 . 0 0 "[ . 1 . 2]" 7
124 1 31 LYS QB 1 31 LYS QG 2.800 . 3.700 2.045 1.983 2.088 . 0 0 "[ . 1 . 2]" 7
125 1 121 VAL HB 1 122 SER H 4.300 . 6.000 4.329 4.118 4.470 . 0 0 "[ . 1 . 2]" 7
126 1 75 VAL HB 1 76 TYR QB 4.400 . 6.000 5.880 4.484 6.404 0.404 18 0 "[ . 1 . 2]" 7
127 1 31 LYS QB 1 33 LYS QB 4.000 . 6.000 5.546 4.506 6.261 0.261 15 0 "[ . 1 . 2]" 7
128 1 156 GLU HB2 1 157 VAL H 3.300 . 4.700 3.199 2.706 3.711 . 0 0 "[ . 1 . 2]" 7
129 1 51 TYR HA 1 52 ALA H 2.300 . 3.000 2.087 2.033 2.147 . 0 0 "[ . 1 . 2]" 7
130 1 126 THR MG 1 127 ALA H 3.600 . 5.200 3.053 1.941 3.658 0.059 12 0 "[ . 1 . 2]" 7
131 1 101 THR MG 1 107 ARG H 2.700 . 6.000 5.219 3.742 6.195 0.195 19 0 "[ . 1 . 2]" 7
132 1 13 TRP HB2 1 14 TYR H 3.500 . 5.000 2.656 2.411 3.050 . 0 0 "[ . 1 . 2]" 7
133 1 149 GLN QB 1 150 GLU H 2.600 . 3.400 2.068 1.698 2.990 0.102 1 0 "[ . 1 . 2]" 7
134 1 44 GLU QB 1 45 ASP H 3.300 . 4.700 2.673 1.883 3.813 0.017 8 0 "[ . 1 . 2]" 7
135 1 139 THR H 1 141 GLU QB 3.200 . 4.500 4.316 2.460 4.913 0.413 12 0 "[ . 1 . 2]" 7
136 1 139 THR H 1 142 MET H 3.600 . 5.200 4.306 3.808 4.822 . 0 0 "[ . 1 . 2]" 7
137 1 8 GLU HB3 1 9 ILE H 2.900 . 3.900 2.562 2.235 2.807 . 0 0 "[ . 1 . 2]" 7
138 1 87 VAL MG1 1 89 ASP H 3.400 . 4.900 3.107 2.015 3.529 . 0 0 "[ . 1 . 2]" 7
139 1 22 THR H 1 23 GLU HA 3.100 . 6.000 4.376 3.859 4.971 . 0 0 "[ . 1 . 2]" 7
140 1 99 TYR H 1 132 LEU QD 3.200 . 6.000 5.580 4.754 6.052 0.052 2 0 "[ . 1 . 2]" 7
141 1 39 ILE MG 1 49 VAL H 4.500 . 6.000 2.168 2.047 2.361 . 0 0 "[ . 1 . 2]" 7
142 1 39 ILE HG13 1 49 VAL H 3.500 . 5.100 3.425 3.096 4.035 . 0 0 "[ . 1 . 2]" 7
143 1 48 LYS QB 1 49 VAL H 3.300 . 4.700 2.509 2.389 2.940 . 0 0 "[ . 1 . 2]" 7
144 1 16 VAL MG1 1 115 TYR H 3.200 . 4.500 3.568 3.069 4.308 . 0 0 "[ . 1 . 2]" 7
145 1 121 VAL MG1 1 122 SER H 2.500 . 3.300 2.711 2.371 3.174 . 0 0 "[ . 1 . 2]" 7
146 1 111 MET H 1 111 MET QB 3.300 . 4.700 2.745 2.557 2.890 . 0 0 "[ . 1 . 2]" 7
147 1 93 LYS QD 1 95 TYR H 3.600 . 5.200 4.876 2.565 5.482 0.282 9 0 "[ . 1 . 2]" 7
148 1 12 LYS H 1 39 ILE HG13 3.100 . 6.000 5.420 3.563 6.289 0.289 6 0 "[ . 1 . 2]" 7
149 1 13 TRP HA 1 37 ALA H 2.700 . 6.000 4.890 4.380 5.218 . 0 0 "[ . 1 . 2]" 7
150 1 96 ALA H 1 98 ILE H 3.600 . 5.200 3.981 3.607 4.251 . 0 0 "[ . 1 . 2]" 7
151 1 40 SER H 1 41 PHE H 3.600 . 5.200 3.368 2.992 3.653 . 0 0 "[ . 1 . 2]" 7
152 1 71 ASP HB2 1 72 ASP H 3.100 . 4.300 3.105 1.837 3.792 0.063 15 0 "[ . 1 . 2]" 7
153 1 147 PRO QG 1 148 ARG H 4.300 . 6.000 4.228 3.567 4.625 . 0 0 "[ . 1 . 2]" 7
154 1 8 GLU H 1 8 GLU HG2 2.100 . 2.700 2.391 2.029 2.458 . 0 0 "[ . 1 . 2]" 7
155 1 133 ALA MB 1 138 TYR H 3.100 . 6.000 4.603 2.717 6.122 0.122 15 0 "[ . 1 . 2]" 7
156 1 127 ALA HA 1 130 ARG H 3.100 . 4.300 3.465 3.336 3.575 . 0 0 "[ . 1 . 2]" 7
157 1 90 THR H 1 92 TYR H 3.200 . 4.500 2.568 1.801 3.460 0.099 6 0 "[ . 1 . 2]" 7
158 1 148 ARG H 1 149 GLN H 3.600 . 5.300 3.044 1.815 4.075 0.085 14 0 "[ . 1 . 2]" 7
159 1 87 VAL MG2 1 89 ASP H 3.900 . 5.800 4.232 2.567 6.029 0.229 6 0 "[ . 1 . 2]" 7
160 1 80 GLU HA 1 81 ALA H 3.100 . 4.300 2.594 2.076 3.377 . 0 0 "[ . 1 . 2]" 7
161 1 92 TYR HA 1 117 ARG HE 2.900 . 6.000 5.314 4.486 6.312 0.312 3 0 "[ . 1 . 2]" 7
162 1 102 ARG H 1 103 VAL HA 4.000 . 6.000 4.408 4.075 4.736 . 0 0 "[ . 1 . 2]" 7
163 1 100 ALA H 1 100 ALA HA 4.000 . 6.000 2.422 2.044 2.657 . 0 0 "[ . 1 . 2]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 154
_Distance_constraint_stats_list.Viol_count 887
_Distance_constraint_stats_list.Viol_total 1354.895
_Distance_constraint_stats_list.Viol_max 0.409
_Distance_constraint_stats_list.Viol_rms 0.0510
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0220
_Distance_constraint_stats_list.Viol_average_violations_only 0.0764
_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 5 ASP 0.444 0.091 5 0 "[ . 1 . 2]"
1 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.149 0.073 5 0 "[ . 1 . 2]"
1 8 GLU 0.444 0.091 5 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.149 0.073 5 0 "[ . 1 . 2]"
1 11 GLY 2.331 0.145 10 0 "[ . 1 . 2]"
1 13 TRP 0.344 0.047 15 0 "[ . 1 . 2]"
1 14 TYR 0.512 0.095 14 0 "[ . 1 . 2]"
1 15 VAL 5.368 0.308 14 0 "[ . 1 . 2]"
1 16 VAL 1.678 0.160 20 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 2.566 0.232 12 0 "[ . 1 . 2]"
1 19 ALA 2.137 0.153 1 0 "[ . 1 . 2]"
1 20 SER 3.824 0.181 4 0 "[ . 1 . 2]"
1 21 ASN 3.118 0.221 12 0 "[ . 1 . 2]"
1 34 MET 4.033 0.267 10 0 "[ . 1 . 2]"
1 35 ALA 5.368 0.308 14 0 "[ . 1 . 2]"
1 36 MET 0.258 0.062 20 0 "[ . 1 . 2]"
1 37 ALA 0.344 0.047 15 0 "[ . 1 . 2]"
1 38 ARG 0.105 0.105 11 0 "[ . 1 . 2]"
1 39 ILE 2.331 0.145 10 0 "[ . 1 . 2]"
1 40 SER 0.009 0.009 11 0 "[ . 1 . 2]"
1 42 LEU 2.641 0.179 12 0 "[ . 1 . 2]"
1 46 GLU 2.641 0.179 12 0 "[ . 1 . 2]"
1 47 LEU 0.606 0.088 18 0 "[ . 1 . 2]"
1 48 LYS 0.009 0.009 11 0 "[ . 1 . 2]"
1 49 VAL 1.671 0.088 15 0 "[ . 1 . 2]"
1 50 SER 0.105 0.105 11 0 "[ . 1 . 2]"
1 51 TYR 0.548 0.143 6 0 "[ . 1 . 2]"
1 52 ALA 0.258 0.062 20 0 "[ . 1 . 2]"
1 53 VAL 4.056 0.253 16 0 "[ . 1 . 2]"
1 54 PRO 4.033 0.267 10 0 "[ . 1 . 2]"
1 55 LYS 2.413 0.409 16 0 "[ . 1 . 2]"
1 60 ARG 2.413 0.409 16 0 "[ . 1 . 2]"
1 62 TRP 4.056 0.253 16 0 "[ . 1 . 2]"
1 64 THR 0.548 0.143 6 0 "[ . 1 . 2]"
1 66 PHE 1.671 0.088 15 0 "[ . 1 . 2]"
1 68 LYS 0.606 0.088 18 0 "[ . 1 . 2]"
1 69 THR 2.780 0.230 9 0 "[ . 1 . 2]"
1 71 ASP 1.563 0.201 15 0 "[ . 1 . 2]"
1 75 VAL 5.783 0.329 12 0 "[ . 1 . 2]"
1 76 TYR 1.563 0.201 15 0 "[ . 1 . 2]"
1 77 TYR 0.401 0.073 10 0 "[ . 1 . 2]"
1 78 SER 2.780 0.230 9 0 "[ . 1 . 2]"
1 79 GLU 3.325 0.271 19 0 "[ . 1 . 2]"
1 82 LYS 5.909 0.332 6 0 "[ . 1 . 2]"
1 83 LYS 3.325 0.271 19 0 "[ . 1 . 2]"
1 84 LYS 0.549 0.099 7 0 "[ . 1 . 2]"
1 85 VAL 0.401 0.073 10 0 "[ . 1 . 2]"
1 86 GLU 0.385 0.079 15 0 "[ . 1 . 2]"
1 87 VAL 5.783 0.329 12 0 "[ . 1 . 2]"
1 88 LEU 0.578 0.062 6 0 "[ . 1 . 2]"
1 94 SER 0.643 0.224 2 0 "[ . 1 . 2]"
1 96 ALA 0.091 0.059 10 0 "[ . 1 . 2]"
1 97 VAL 0.578 0.062 6 0 "[ . 1 . 2]"
1 98 ILE 0.477 0.059 13 0 "[ . 1 . 2]"
1 99 TYR 0.385 0.079 15 0 "[ . 1 . 2]"
1 100 ALA 0.185 0.035 10 0 "[ . 1 . 2]"
1 101 THR 0.549 0.099 7 0 "[ . 1 . 2]"
1 102 ARG 0.395 0.075 1 0 "[ . 1 . 2]"
1 103 VAL 5.909 0.332 6 0 "[ . 1 . 2]"
1 104 LYS 1.394 0.119 5 0 "[ . 1 . 2]"
1 107 ARG 1.394 0.119 5 0 "[ . 1 . 2]"
1 109 LEU 0.395 0.075 1 0 "[ . 1 . 2]"
1 110 HIS 3.118 0.221 12 0 "[ . 1 . 2]"
1 111 MET 0.185 0.035 10 0 "[ . 1 . 2]"
1 112 MET 2.137 0.153 1 0 "[ . 1 . 2]"
1 113 ARG 0.477 0.059 13 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 TYR 0.091 0.059 10 0 "[ . 1 . 2]"
1 116 SER 0.512 0.095 14 0 "[ . 1 . 2]"
1 117 ARG 0.643 0.224 2 0 "[ . 1 . 2]"
1 122 SER 1.200 0.119 12 0 "[ . 1 . 2]"
1 123 PRO 0.025 0.013 12 0 "[ . 1 . 2]"
1 124 ALA 1.017 0.082 7 0 "[ . 1 . 2]"
1 125 ALA 0.918 0.090 5 0 "[ . 1 . 2]"
1 126 THR 1.255 0.119 12 0 "[ . 1 . 2]"
1 127 ALA 0.785 0.125 6 0 "[ . 1 . 2]"
1 128 ILE 1.092 0.082 7 0 "[ . 1 . 2]"
1 129 PHE 1.315 0.090 5 0 "[ . 1 . 2]"
1 130 ARG 0.069 0.026 13 0 "[ . 1 . 2]"
1 131 LYS 0.773 0.125 6 0 "[ . 1 . 2]"
1 132 LEU 0.075 0.019 17 0 "[ . 1 . 2]"
1 133 ALA 0.397 0.081 19 0 "[ . 1 . 2]"
1 134 GLY 0.014 0.012 5 0 "[ . 1 . 2]"
1 135 GLU 0.013 0.012 13 0 "[ . 1 . 2]"
1 143 VAL 3.824 0.181 4 0 "[ . 1 . 2]"
1 144 ALA 2.566 0.232 12 0 "[ . 1 . 2]"
1 146 LEU 1.678 0.160 20 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 5 ASP O 1 8 GLU H 1.800 . 2.400 2.418 2.356 2.491 0.091 5 0 "[ . 1 . 2]" 8
2 1 5 ASP O 1 8 GLU N 2.800 2.500 3.400 3.280 3.239 3.341 . 0 0 "[ . 1 . 2]" 8
3 1 6 ARG O 1 9 ILE H 1.800 . 2.400 2.081 1.929 2.359 . 0 0 "[ . 1 . 2]" 8
4 1 6 ARG O 1 9 ILE N 2.800 2.500 3.400 2.960 2.888 3.071 . 0 0 "[ . 1 . 2]" 8
5 1 7 SER O 1 10 ALA H 1.800 . 2.400 2.216 1.851 2.473 0.073 5 0 "[ . 1 . 2]" 8
6 1 7 SER O 1 10 ALA N 2.800 2.500 3.400 2.829 2.557 3.030 . 0 0 "[ . 1 . 2]" 8
7 1 11 GLY H 1 39 ILE O 1.800 . 2.400 2.474 2.433 2.545 0.145 10 0 "[ . 1 . 2]" 8
8 1 11 GLY N 1 39 ILE O 2.800 2.500 3.400 3.398 3.314 3.462 0.062 5 0 "[ . 1 . 2]" 8
9 1 13 TRP H 1 37 ALA O 1.800 . 2.400 1.660 1.515 1.810 . 0 0 "[ . 1 . 2]" 8
10 1 13 TRP N 1 37 ALA O 2.800 2.500 3.400 2.522 2.453 2.583 0.047 15 0 "[ . 1 . 2]" 8
11 1 15 VAL H 1 35 ALA O 1.800 . 2.400 2.244 1.860 2.454 0.054 16 0 "[ . 1 . 2]" 8
12 1 15 VAL N 1 35 ALA O 2.800 2.500 3.400 2.906 2.481 3.218 0.019 11 0 "[ . 1 . 2]" 8
13 1 15 VAL O 1 35 ALA H 1.800 . 2.400 2.632 2.544 2.708 0.308 14 0 "[ . 1 . 2]" 8
14 1 15 VAL O 1 35 ALA N 2.800 2.500 3.400 3.373 3.165 3.513 0.113 10 0 "[ . 1 . 2]" 8
15 1 13 TRP O 1 37 ALA H 1.800 . 2.400 1.865 1.556 2.119 . 0 0 "[ . 1 . 2]" 8
16 1 13 TRP O 1 37 ALA N 2.800 2.500 3.400 2.514 2.459 2.678 0.041 2 0 "[ . 1 . 2]" 8
17 1 11 GLY O 1 39 ILE H 1.800 . 2.400 2.348 1.964 2.482 0.082 4 0 "[ . 1 . 2]" 8
18 1 11 GLY O 1 39 ILE N 2.800 2.500 3.400 3.119 2.801 3.253 . 0 0 "[ . 1 . 2]" 8
19 1 14 TYR H 1 116 SER O 1.800 . 2.400 2.279 1.755 2.495 0.095 14 0 "[ . 1 . 2]" 8
20 1 14 TYR N 1 116 SER O 2.800 2.500 3.400 3.071 2.609 3.396 . 0 0 "[ . 1 . 2]" 8
21 1 14 TYR O 1 116 SER H 1.800 . 2.400 1.966 1.582 2.422 0.022 14 0 "[ . 1 . 2]" 8
22 1 14 TYR O 1 116 SER N 2.800 2.500 3.400 2.858 2.534 3.283 . 0 0 "[ . 1 . 2]" 8
23 1 18 LEU H 1 144 ALA O 1.800 . 2.400 2.300 1.982 2.513 0.113 20 0 "[ . 1 . 2]" 8
24 1 18 LEU N 1 144 ALA O 2.800 2.500 3.400 3.006 2.611 3.310 . 0 0 "[ . 1 . 2]" 8
25 1 20 SER H 1 143 VAL O 1.800 . 2.400 2.508 2.454 2.581 0.181 4 0 "[ . 1 . 2]" 8
26 1 20 SER N 1 143 VAL O 2.800 2.500 3.400 3.484 3.426 3.545 0.145 13 0 "[ . 1 . 2]" 8
27 1 18 LEU O 1 144 ALA H 1.800 . 2.400 2.487 2.116 2.632 0.232 12 0 "[ . 1 . 2]" 8
28 1 18 LEU O 1 144 ALA N 2.800 2.500 3.400 3.052 2.669 3.344 . 0 0 "[ . 1 . 2]" 8
29 1 16 VAL O 1 146 LEU H 1.800 . 2.400 2.444 1.871 2.560 0.160 20 0 "[ . 1 . 2]" 8
30 1 16 VAL O 1 146 LEU N 2.800 2.500 3.400 3.056 2.736 3.310 . 0 0 "[ . 1 . 2]" 8
31 1 19 ALA H 1 112 MET O 1.800 . 2.400 2.412 2.099 2.547 0.147 3 0 "[ . 1 . 2]" 8
32 1 19 ALA N 1 112 MET O 2.800 2.500 3.400 3.225 2.965 3.330 . 0 0 "[ . 1 . 2]" 8
33 1 21 ASN H 1 110 HIS O 1.800 . 2.400 2.189 1.740 2.621 0.221 12 0 "[ . 1 . 2]" 8
34 1 21 ASN N 1 110 HIS O 2.800 2.500 3.400 2.887 2.450 3.263 0.050 12 0 "[ . 1 . 2]" 8
35 1 21 ASN O 1 110 HIS H 1.800 . 2.400 2.473 2.224 2.533 0.133 2 0 "[ . 1 . 2]" 8
36 1 21 ASN O 1 110 HIS N 2.800 2.500 3.400 3.385 3.040 3.501 0.101 2 0 "[ . 1 . 2]" 8
37 1 19 ALA O 1 112 MET H 1.800 . 2.400 1.692 1.525 1.972 . 0 0 "[ . 1 . 2]" 8
38 1 19 ALA O 1 112 MET N 2.800 2.500 3.400 2.453 2.347 2.554 0.153 1 0 "[ . 1 . 2]" 8
39 1 17 ALA O 1 114 LEU H 1.800 . 2.400 2.149 1.815 2.376 . 0 0 "[ . 1 . 2]" 8
40 1 17 ALA O 1 114 LEU N 2.800 2.500 3.400 2.697 2.524 2.963 . 0 0 "[ . 1 . 2]" 8
41 1 34 MET H 1 54 PRO O 1.800 . 2.400 2.576 2.457 2.667 0.267 10 0 "[ . 1 . 2]" 8
42 1 34 MET N 1 54 PRO O 2.800 2.500 3.400 3.365 3.197 3.503 0.103 2 0 "[ . 1 . 2]" 8
43 1 36 MET H 1 52 ALA O 1.800 . 2.400 2.220 1.894 2.445 0.045 15 0 "[ . 1 . 2]" 8
44 1 36 MET N 1 52 ALA O 2.800 2.500 3.400 3.055 2.836 3.294 . 0 0 "[ . 1 . 2]" 8
45 1 38 ARG H 1 50 SER O 1.800 . 2.400 1.905 1.639 2.306 . 0 0 "[ . 1 . 2]" 8
46 1 38 ARG N 1 50 SER O 2.800 2.500 3.400 2.723 2.520 3.172 . 0 0 "[ . 1 . 2]" 8
47 1 40 SER H 1 48 LYS O 1.800 . 2.400 1.922 1.673 2.409 0.009 11 0 "[ . 1 . 2]" 8
48 1 40 SER N 1 48 LYS O 2.800 2.500 3.400 2.832 2.623 3.256 . 0 0 "[ . 1 . 2]" 8
49 1 42 LEU H 1 46 GLU O 1.800 . 2.400 1.986 1.705 2.431 0.031 9 0 "[ . 1 . 2]" 8
50 1 42 LEU N 1 46 GLU O 2.800 2.500 3.400 2.696 2.476 3.061 0.024 6 0 "[ . 1 . 2]" 8
51 1 42 LEU O 1 46 GLU H 1.800 . 2.400 2.453 2.134 2.579 0.179 12 0 "[ . 1 . 2]" 8
52 1 42 LEU O 1 46 GLU N 2.800 2.500 3.400 3.369 2.990 3.552 0.152 12 0 "[ . 1 . 2]" 8
53 1 40 SER O 1 48 LYS H 1.800 . 2.400 2.052 1.759 2.382 . 0 0 "[ . 1 . 2]" 8
54 1 40 SER O 1 48 LYS N 2.800 2.500 3.400 2.912 2.703 3.241 . 0 0 "[ . 1 . 2]" 8
55 1 38 ARG O 1 50 SER H 1.800 . 2.400 1.985 1.727 2.505 0.105 11 0 "[ . 1 . 2]" 8
56 1 38 ARG O 1 50 SER N 2.800 2.500 3.400 2.805 2.587 3.303 . 0 0 "[ . 1 . 2]" 8
57 1 36 MET O 1 52 ALA H 1.800 . 2.400 2.030 1.667 2.462 0.062 20 0 "[ . 1 . 2]" 8
58 1 36 MET O 1 52 ALA N 2.800 2.500 3.400 2.749 2.517 3.058 . 0 0 "[ . 1 . 2]" 8
59 1 47 LEU H 1 68 LYS O 1.800 . 2.400 2.244 1.754 2.488 0.088 18 0 "[ . 1 . 2]" 8
60 1 47 LEU N 1 68 LYS O 2.800 2.500 3.400 3.139 2.694 3.368 . 0 0 "[ . 1 . 2]" 8
61 1 49 VAL H 1 66 PHE O 1.800 . 2.400 2.061 1.744 2.418 0.018 20 0 "[ . 1 . 2]" 8
62 1 49 VAL N 1 66 PHE O 2.800 2.500 3.400 2.950 2.650 3.282 . 0 0 "[ . 1 . 2]" 8
63 1 51 TYR H 1 64 THR O 1.800 . 2.400 2.326 1.960 2.450 0.050 4 0 "[ . 1 . 2]" 8
64 1 51 TYR N 1 64 THR O 2.800 2.500 3.400 3.227 2.884 3.365 . 0 0 "[ . 1 . 2]" 8
65 1 53 VAL H 1 62 TRP O 1.800 . 2.400 1.723 1.527 2.241 . 0 0 "[ . 1 . 2]" 8
66 1 53 VAL N 1 62 TRP O 2.800 2.500 3.400 2.595 2.478 3.036 0.022 13 0 "[ . 1 . 2]" 8
67 1 55 LYS H 1 60 ARG O 1.800 . 2.400 2.211 1.813 2.809 0.409 16 0 "[ . 1 . 2]" 8
68 1 55 LYS N 1 60 ARG O 2.800 2.500 3.400 2.686 2.413 3.272 0.087 16 0 "[ . 1 . 2]" 8
69 1 55 LYS O 1 60 ARG H 1.800 . 2.400 2.411 1.882 2.639 0.239 16 0 "[ . 1 . 2]" 8
70 1 55 LYS O 1 60 ARG N 2.800 2.500 3.400 2.960 2.494 3.536 0.136 9 0 "[ . 1 . 2]" 8
71 1 53 VAL O 1 62 TRP H 1.800 . 2.400 1.735 1.541 1.832 . 0 0 "[ . 1 . 2]" 8
72 1 53 VAL O 1 62 TRP N 1.800 . 2.400 2.599 2.493 2.653 0.253 16 0 "[ . 1 . 2]" 8
73 1 51 TYR O 1 64 THR H 1.800 . 2.400 2.364 2.066 2.543 0.143 6 0 "[ . 1 . 2]" 8
74 1 51 TYR O 1 64 THR N 2.800 2.500 3.400 3.230 2.983 3.422 0.022 6 0 "[ . 1 . 2]" 8
75 1 49 VAL O 1 66 PHE H 1.800 . 2.400 2.430 2.228 2.488 0.088 15 0 "[ . 1 . 2]" 8
76 1 49 VAL O 1 66 PHE N 2.800 2.500 3.400 3.394 3.194 3.471 0.071 15 0 "[ . 1 . 2]" 8
77 1 47 LEU O 1 68 LYS H 1.800 . 2.400 2.379 2.173 2.465 0.065 13 0 "[ . 1 . 2]" 8
78 1 47 LEU O 1 68 LYS N 2.800 2.500 3.400 3.279 3.140 3.382 . 0 0 "[ . 1 . 2]" 8
79 1 69 THR H 1 78 SER O 1.800 . 2.400 2.412 2.013 2.532 0.132 2 0 "[ . 1 . 2]" 8
80 1 69 THR N 1 78 SER O 2.800 2.500 3.400 3.352 2.898 3.495 0.095 2 0 "[ . 1 . 2]" 8
81 1 71 ASP H 1 76 TYR O 1.800 . 2.400 2.425 1.970 2.601 0.201 15 0 "[ . 1 . 2]" 8
82 1 71 ASP N 1 76 TYR O 2.800 2.500 3.400 3.216 2.766 3.474 0.074 15 0 "[ . 1 . 2]" 8
83 1 69 THR O 1 78 SER H 1.800 . 2.400 2.423 2.207 2.630 0.230 9 0 "[ . 1 . 2]" 8
84 1 69 THR O 1 78 SER N 2.800 2.500 3.400 3.236 3.040 3.416 0.016 16 0 "[ . 1 . 2]" 8
85 1 75 VAL H 1 87 VAL O 1.800 . 2.400 2.639 2.541 2.729 0.329 12 0 "[ . 1 . 2]" 8
86 1 75 VAL N 1 87 VAL O 2.800 2.500 3.400 3.405 2.790 3.539 0.139 6 0 "[ . 1 . 2]" 8
87 1 77 TYR H 1 85 VAL O 1.800 . 2.400 2.054 1.700 2.473 0.073 10 0 "[ . 1 . 2]" 8
88 1 77 TYR N 1 85 VAL O 2.800 2.500 3.400 2.741 2.498 3.113 0.002 15 0 "[ . 1 . 2]" 8
89 1 79 GLU H 1 83 LYS O 1.800 . 2.400 2.150 1.772 2.515 0.115 20 0 "[ . 1 . 2]" 8
90 1 79 GLU N 1 83 LYS O 2.800 2.500 3.400 2.984 2.652 3.349 . 0 0 "[ . 1 . 2]" 8
91 1 79 GLU O 1 83 LYS H 1.800 . 2.400 2.533 2.423 2.671 0.271 19 0 "[ . 1 . 2]" 8
92 1 79 GLU O 1 83 LYS N 2.800 2.500 3.400 3.328 3.131 3.533 0.133 8 0 "[ . 1 . 2]" 8
93 1 77 TYR O 1 85 VAL H 1.800 . 2.400 1.993 1.559 2.457 0.057 2 0 "[ . 1 . 2]" 8
94 1 77 TYR O 1 85 VAL N 2.800 2.500 3.400 2.802 2.481 3.374 0.019 10 0 "[ . 1 . 2]" 8
95 1 75 VAL O 1 87 VAL H 1.800 . 2.400 1.904 1.763 2.248 . 0 0 "[ . 1 . 2]" 8
96 1 75 VAL O 1 87 VAL N 2.800 2.500 3.400 2.569 2.434 2.853 0.066 1 0 "[ . 1 . 2]" 8
97 1 82 LYS H 1 103 VAL O 1.800 . 2.400 2.622 2.479 2.732 0.332 6 0 "[ . 1 . 2]" 8
98 1 82 LYS N 1 103 VAL O 2.800 2.500 3.400 2.721 2.386 3.287 0.114 20 0 "[ . 1 . 2]" 8
99 1 84 LYS H 1 101 THR O 1.800 . 2.400 2.199 1.604 2.499 0.099 7 0 "[ . 1 . 2]" 8
100 1 84 LYS N 1 101 THR O 2.800 2.500 3.400 2.937 2.502 3.409 0.009 9 0 "[ . 1 . 2]" 8
101 1 86 GLU H 1 99 TYR O 1.800 . 2.400 2.179 1.610 2.476 0.076 4 0 "[ . 1 . 2]" 8
102 1 86 GLU N 1 99 TYR O 2.800 2.500 3.400 3.038 2.536 3.327 . 0 0 "[ . 1 . 2]" 8
103 1 88 LEU H 1 97 VAL O 1.800 . 2.400 1.806 1.589 2.082 . 0 0 "[ . 1 . 2]" 8
104 1 88 LEU N 1 97 VAL O 2.800 2.500 3.400 2.584 2.438 2.935 0.062 6 0 "[ . 1 . 2]" 8
105 1 88 LEU O 1 97 VAL H 1.800 . 2.400 2.359 1.590 2.455 0.055 15 0 "[ . 1 . 2]" 8
106 1 88 LEU O 1 97 VAL N 2.800 2.500 3.400 3.291 2.537 3.411 0.011 15 0 "[ . 1 . 2]" 8
107 1 86 GLU O 1 99 TYR H 1.800 . 2.400 2.271 1.775 2.479 0.079 15 0 "[ . 1 . 2]" 8
108 1 86 GLU O 1 99 TYR N 2.800 2.500 3.400 3.142 2.601 3.377 . 0 0 "[ . 1 . 2]" 8
109 1 84 LYS O 1 101 THR H 1.800 . 2.400 1.904 1.528 2.413 0.013 4 0 "[ . 1 . 2]" 8
110 1 84 LYS O 1 101 THR N 2.800 2.500 3.400 2.781 2.487 3.287 0.013 19 0 "[ . 1 . 2]" 8
111 1 82 LYS O 1 103 VAL H 1.800 . 2.400 2.309 1.716 2.501 0.101 18 0 "[ . 1 . 2]" 8
112 1 82 LYS O 1 103 VAL N 2.800 2.500 3.400 3.066 2.635 3.318 . 0 0 "[ . 1 . 2]" 8
113 1 96 ALA H 1 115 TYR O 1.800 . 2.400 2.022 1.676 2.459 0.059 10 0 "[ . 1 . 2]" 8
114 1 96 ALA N 1 115 TYR O 2.800 2.500 3.400 2.899 2.532 3.386 . 0 0 "[ . 1 . 2]" 8
115 1 98 ILE H 1 113 ARG O 1.800 . 2.400 1.649 1.531 1.872 . 0 0 "[ . 1 . 2]" 8
116 1 98 ILE N 1 113 ARG O 2.800 2.500 3.400 2.498 2.441 2.592 0.059 13 0 "[ . 1 . 2]" 8
117 1 100 ALA H 1 111 MET O 1.800 . 2.400 1.823 1.635 2.101 . 0 0 "[ . 1 . 2]" 8
118 1 100 ALA N 1 111 MET O 2.800 2.500 3.400 2.526 2.465 2.711 0.035 10 0 "[ . 1 . 2]" 8
119 1 102 ARG H 1 109 LEU O 1.800 . 2.400 2.304 1.977 2.445 0.045 12 0 "[ . 1 . 2]" 8
120 1 102 ARG N 1 109 LEU O 2.800 2.500 3.400 3.119 2.712 3.332 . 0 0 "[ . 1 . 2]" 8
121 1 104 LYS H 1 107 ARG O 1.800 . 2.400 2.425 2.261 2.478 0.078 13 0 "[ . 1 . 2]" 8
122 1 104 LYS N 1 107 ARG O 2.800 2.500 3.400 3.328 3.173 3.457 0.057 13 0 "[ . 1 . 2]" 8
123 1 104 LYS O 1 107 ARG H 1.800 . 2.400 2.364 1.976 2.519 0.119 5 0 "[ . 1 . 2]" 8
124 1 104 LYS O 1 107 ARG N 2.800 2.500 3.400 3.044 2.582 3.402 0.002 4 0 "[ . 1 . 2]" 8
125 1 102 ARG O 1 109 LEU H 1.800 . 2.400 2.284 1.758 2.475 0.075 1 0 "[ . 1 . 2]" 8
126 1 102 ARG O 1 109 LEU N 2.800 2.500 3.400 3.131 2.692 3.424 0.024 1 0 "[ . 1 . 2]" 8
127 1 100 ALA O 1 111 MET H 1.800 . 2.400 2.167 1.603 2.424 0.024 8 0 "[ . 1 . 2]" 8
128 1 100 ALA O 1 111 MET N 2.800 2.500 3.400 2.877 2.563 3.033 . 0 0 "[ . 1 . 2]" 8
129 1 98 ILE O 1 113 ARG H 1.800 . 2.400 1.834 1.539 2.062 . 0 0 "[ . 1 . 2]" 8
130 1 98 ILE O 1 113 ARG N 2.800 2.500 3.400 2.553 2.461 2.639 0.039 1 0 "[ . 1 . 2]" 8
131 1 96 ALA O 1 115 TYR H 1.800 . 2.400 2.119 1.678 2.423 0.023 10 0 "[ . 1 . 2]" 8
132 1 96 ALA O 1 115 TYR N 2.800 2.500 3.400 2.808 2.511 3.104 . 0 0 "[ . 1 . 2]" 8
133 1 94 SER O 1 117 ARG H 1.800 . 2.400 2.266 1.852 2.624 0.224 2 0 "[ . 1 . 2]" 8
134 1 94 SER O 1 117 ARG N 2.800 2.500 3.400 3.115 2.534 3.429 0.029 2 0 "[ . 1 . 2]" 8
135 1 122 SER O 1 126 THR H 1.800 . 2.400 2.434 2.270 2.519 0.119 12 0 "[ . 1 . 2]" 8
136 1 122 SER O 1 126 THR N 2.800 2.500 3.400 3.388 3.231 3.469 0.069 12 0 "[ . 1 . 2]" 8
137 1 123 PRO O 1 127 ALA H 1.800 . 2.400 1.658 1.579 1.731 . 0 0 "[ . 1 . 2]" 8
138 1 123 PRO O 1 127 ALA N 2.800 2.500 3.400 2.554 2.487 2.648 0.013 12 0 "[ . 1 . 2]" 8
139 1 124 ALA O 1 128 ILE H 1.800 . 2.400 1.630 1.557 1.711 . 0 0 "[ . 1 . 2]" 8
140 1 124 ALA O 1 128 ILE N 2.800 2.500 3.400 2.449 2.418 2.478 0.082 7 0 "[ . 1 . 2]" 8
141 1 125 ALA O 1 129 PHE H 1.800 . 2.400 2.439 2.409 2.490 0.090 5 0 "[ . 1 . 2]" 8
142 1 125 ALA O 1 129 PHE N 2.800 2.500 3.400 3.316 3.208 3.468 0.068 5 0 "[ . 1 . 2]" 8
143 1 126 THR O 1 130 ARG H 1.800 . 2.400 2.254 1.997 2.426 0.026 13 0 "[ . 1 . 2]" 8
144 1 126 THR O 1 130 ARG N 2.800 2.500 3.400 3.165 2.906 3.335 . 0 0 "[ . 1 . 2]" 8
145 1 127 ALA O 1 131 LYS H 1.800 . 2.400 1.607 1.493 1.860 0.007 2 0 "[ . 1 . 2]" 8
146 1 127 ALA O 1 131 LYS N 2.800 2.500 3.400 2.495 2.375 2.823 0.125 6 0 "[ . 1 . 2]" 8
147 1 128 ILE O 1 132 LEU H 1.800 . 2.400 1.654 1.526 1.899 . 0 0 "[ . 1 . 2]" 8
148 1 128 ILE O 1 132 LEU N 2.800 2.500 3.400 2.578 2.481 2.804 0.019 17 0 "[ . 1 . 2]" 8
149 1 129 PHE O 1 133 ALA H 1.800 . 2.400 2.098 1.773 2.481 0.081 19 0 "[ . 1 . 2]" 8
150 1 129 PHE O 1 133 ALA N 2.800 2.500 3.400 2.956 2.609 3.400 . 0 0 "[ . 1 . 2]" 8
151 1 130 ARG O 1 134 GLY H 1.800 . 2.400 1.907 1.619 2.304 . 0 0 "[ . 1 . 2]" 8
152 1 130 ARG O 1 134 GLY N 2.800 2.500 3.400 2.775 2.488 3.178 0.012 5 0 "[ . 1 . 2]" 8
153 1 131 LYS O 1 135 GLU H 1.800 . 2.400 2.132 1.601 2.412 0.012 13 0 "[ . 1 . 2]" 8
154 1 131 LYS O 1 135 GLU N 2.800 2.500 3.400 3.043 2.578 3.352 . 0 0 "[ . 1 . 2]" 8
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