NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428396 |
2i85   |
7220 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2i85
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 757
_Distance_constraint_stats_list.Viol_count 1048
_Distance_constraint_stats_list.Viol_total 3126.837
_Distance_constraint_stats_list.Viol_max 1.458
_Distance_constraint_stats_list.Viol_rms 0.1494
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0413
_Distance_constraint_stats_list.Viol_average_violations_only 0.2984
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 1.598 0.738 4 1 "[ +. 1]"
1 3 SER 1.753 0.738 4 1 "[ +. 1]"
1 4 ILE 37.635 1.248 1 10 [+*-*******]
1 5 VAL 8.967 0.896 9 6 "[* *- *+*]"
1 6 LEU 2.943 0.999 5 3 "[ - + *1]"
1 7 GLU 2.865 0.681 6 4 "[ * .+- *1]"
1 9 ILE 4.044 0.744 4 2 "[ +. - 1]"
1 10 TYR 0.000 0.000 . 0 "[ . 1]"
1 11 TRP 1.925 0.395 10 0 "[ . 1]"
1 12 ASN 0.000 0.000 . 0 "[ . 1]"
1 15 ASN 1.614 0.467 6 0 "[ . 1]"
1 16 SER 0.280 0.162 10 0 "[ . 1]"
1 17 LYS 3.326 0.322 3 0 "[ . 1]"
1 18 PHE 3.759 0.467 6 0 "[ . 1]"
1 19 LEU 1.901 0.587 10 1 "[ . +]"
1 21 GLY 0.364 0.196 10 0 "[ . 1]"
1 22 GLN 2.291 0.485 8 0 "[ . 1]"
1 23 GLY 1.607 0.587 10 1 "[ . +]"
1 24 LEU 1.958 0.410 7 0 "[ . 1]"
1 25 VAL 2.016 0.410 7 0 "[ . 1]"
1 26 LEU 3.739 0.683 2 3 "[-+ *. 1]"
1 27 TYR 4.024 0.683 2 3 "[-+ *. 1]"
1 29 GLN 5.140 1.458 7 3 "[ .-+ *]"
1 30 ILE 9.396 0.720 9 3 "[ - * +1]"
1 31 GLY 0.103 0.066 8 0 "[ . 1]"
1 32 ASP 15.876 1.458 7 5 "[* - .*+ *]"
1 33 LYS 21.936 1.294 2 8 "[ + *****-*]"
1 34 LEU 10.494 0.999 5 6 "[ *- +** *1]"
1 35 ASP 11.984 1.455 7 8 "[* -**+***]"
1 36 ILE 7.379 0.744 4 2 "[ +. - 1]"
1 37 ILE 10.060 1.455 7 6 "[- **+* *]"
1 39 PRO 0.000 0.000 . 0 "[ . 1]"
1 40 LYS 0.000 0.000 . 0 "[ . 1]"
1 41 VAL 9.610 0.779 4 4 "[- +* * 1]"
1 42 ASP 13.493 0.961 9 8 "[*** -** +*]"
1 43 SER 0.647 0.116 2 0 "[ . 1]"
1 44 LYS 0.870 0.382 1 0 "[ . 1]"
1 45 THR 18.001 0.961 9 10 [****-***+*]
1 46 VAL 8.103 0.823 6 5 "[ * -+ **1]"
1 47 GLY 2.725 0.753 8 2 "[ - + 1]"
1 48 GLN 0.842 0.320 2 0 "[ . 1]"
1 49 TYR 1.080 0.229 1 0 "[ . 1]"
1 51 TYR 0.475 0.352 6 0 "[ . 1]"
1 52 TYR 0.000 0.000 . 0 "[ . 1]"
1 53 LYS 0.024 0.024 7 0 "[ . 1]"
1 54 VAL 3.967 0.691 5 1 "[ + 1]"
1 55 TYR 0.000 0.000 . 0 "[ . 1]"
1 57 VAL 2.139 0.863 6 2 "[ -+ 1]"
1 58 ASP 0.000 0.000 . 0 "[ . 1]"
1 59 LYS 0.000 0.000 . 0 "[ . 1]"
1 60 ASP 19.308 1.428 9 9 "[** ****-+*]"
1 61 GLN 21.090 1.428 9 9 "[** ****-+*]"
1 62 ALA 8.577 0.842 2 8 [*+**.**-*1]
1 63 ASP 4.748 0.669 9 4 "[ *. *-+1]"
1 64 ARG 10.320 0.767 6 10 [*****+*-**]
1 65 CYS 7.143 0.767 6 4 "[ -.+* *]"
1 66 THR 0.901 0.238 7 0 "[ . 1]"
1 67 ILE 10.696 1.036 6 3 "[* -+ 1]"
1 68 LYS 0.000 0.000 . 0 "[ . 1]"
1 69 LYS 0.171 0.171 9 0 "[ . 1]"
1 70 GLU 9.047 0.636 7 10 [***-**+***]
1 71 ASN 4.044 0.410 2 0 "[ . 1]"
1 72 THR 1.159 0.236 4 0 "[ . 1]"
1 74 LEU 1.800 0.903 5 1 "[ + 1]"
1 75 LEU 3.283 0.903 5 1 "[ + 1]"
1 76 ASN 0.318 0.261 5 0 "[ . 1]"
1 77 CYS 1.052 0.472 8 0 "[ . 1]"
1 78 ALA 2.936 0.516 2 1 "[ + . 1]"
1 81 ASP 0.881 0.408 6 0 "[ . 1]"
1 82 GLN 1.837 0.408 6 0 "[ . 1]"
1 83 ASP 2.255 0.522 7 1 "[ . + 1]"
1 84 ILE 4.621 0.522 7 2 "[ - . + 1]"
1 85 LYS 2.152 1.085 8 1 "[ . + 1]"
1 86 PHE 7.689 0.824 8 5 "[* *.* +*1]"
1 87 THR 1.483 0.358 4 0 "[ . 1]"
1 88 ILE 8.140 1.294 2 7 "[ + *****-1]"
1 89 LYS 1.123 0.545 8 1 "[ . + 1]"
1 90 PHE 12.065 1.095 5 8 "[ * *+-****]"
1 91 GLN 3.804 0.545 8 1 "[ . + 1]"
1 92 GLU 2.919 0.492 9 0 "[ . 1]"
1 93 PHE 4.138 0.689 8 3 "[ *-. + 1]"
1 94 SER 0.954 0.432 7 0 "[ . 1]"
1 95 PRO 0.000 0.000 . 0 "[ . 1]"
1 96 ASN 0.192 0.047 1 0 "[ . 1]"
1 97 LEU 1.639 0.680 6 2 "[ .+ -]"
1 98 TRP 0.141 0.084 1 0 "[ . 1]"
1 99 GLY 0.074 0.074 7 0 "[ . 1]"
1 100 LEU 1.761 0.961 5 1 "[ + 1]"
1 101 GLU 2.538 0.961 5 1 "[ + 1]"
1 102 PHE 0.111 0.076 10 0 "[ . 1]"
1 103 GLN 8.859 0.870 6 10 [****-+****]
1 104 LYS 1.073 0.430 10 0 "[ . 1]"
1 105 ASN 0.150 0.061 5 0 "[ . 1]"
1 106 LYS 1.427 0.341 1 0 "[ . 1]"
1 107 ASP 6.252 1.369 1 4 "[+ - . * *]"
1 108 TYR 0.197 0.160 3 0 "[ . 1]"
1 109 TYR 1.093 0.307 1 0 "[ . 1]"
1 110 ILE 4.618 0.361 8 0 "[ . 1]"
1 111 ILE 5.859 0.863 6 4 "[*** .+ 1]"
1 112 SER 4.542 0.513 3 1 "[ + . 1]"
1 113 THR 3.990 0.611 9 2 "[ .- +1]"
1 114 SER 0.231 0.142 6 0 "[ . 1]"
1 115 ASN 3.433 0.835 6 1 "[ .+ 1]"
1 116 GLY 0.884 0.326 6 0 "[ . 1]"
1 117 SER 1.419 0.344 1 0 "[ . 1]"
1 118 LEU 3.159 0.539 3 1 "[ + . 1]"
1 119 GLU 1.002 0.153 3 0 "[ . 1]"
1 120 GLY 0.272 0.153 3 0 "[ . 1]"
1 121 LEU 3.407 0.796 4 2 "[ -+. 1]"
1 122 ASP 3.115 0.773 3 4 "[ + *- * 1]"
1 123 ASN 3.613 0.773 3 4 "[ + *- * 1]"
1 124 GLN 5.889 1.036 6 3 "[- *.+ 1]"
1 125 GLU 21.340 0.976 4 10 [***+**-***]
1 126 GLY 6.669 0.976 4 7 "[ **+-* * *]"
1 127 GLY 2.457 0.709 6 1 "[ .+ 1]"
1 128 VAL 4.821 0.835 6 3 "[*- .+ 1]"
1 129 CYS 8.694 0.611 9 5 "[ *-*.* +1]"
1 130 GLN 2.269 0.371 2 0 "[ . 1]"
1 131 THR 2.152 0.673 1 1 "[+ . 1]"
1 132 ARG 0.743 0.317 1 0 "[ . 1]"
1 133 ALA 6.359 0.622 4 3 "[* +. - 1]"
1 134 MET 3.513 0.622 4 3 "[* +. - 1]"
1 135 LYS 0.000 0.000 . 0 "[ . 1]"
1 136 ILE 0.944 0.281 6 0 "[ . 1]"
1 137 LEU 3.179 0.366 3 0 "[ . 1]"
1 138 MET 5.577 1.369 1 4 "[+ - . * *]"
1 139 LYS 0.061 0.061 6 0 "[ . 1]"
1 140 VAL 0.765 0.341 1 0 "[ . 1]"
1 141 GLY 0.306 0.219 1 0 "[ . 1]"
1 142 GLN 0.439 0.219 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS H 1 2 LYS HB3 . . 3.000 2.936 2.085 3.158 0.158 5 0 "[ . 1]" 1
2 1 2 LYS HA 1 3 SER H . . 3.000 2.393 2.136 2.671 . 0 0 "[ . 1]" 1
3 1 2 LYS HB3 1 3 SER H . . 3.500 3.204 2.509 4.238 0.738 4 1 "[ +. 1]" 1
4 1 3 SER H 1 3 SER HA . . 3.000 2.774 2.223 2.973 . 0 0 "[ . 1]" 1
5 1 3 SER HA 1 4 ILE H . . 5.000 2.914 2.144 3.617 . 0 0 "[ . 1]" 1
6 1 3 SER H 1 4 ILE H . . 3.500 3.015 1.939 3.819 0.319 8 0 "[ . 1]" 1
7 1 4 ILE H 1 4 ILE HA . . 3.000 2.966 2.898 2.995 . 0 0 "[ . 1]" 1
8 1 4 ILE H 1 4 ILE HB . . 3.500 3.639 3.460 3.736 0.236 1 0 "[ . 1]" 1
9 1 4 ILE H 1 4 ILE MD . . 3.000 2.684 1.736 3.438 0.438 9 0 "[ . 1]" 1
10 1 4 ILE H 1 4 ILE HG13 . . 3.000 3.886 3.583 4.139 1.139 6 10 [****-+****] 1
11 1 4 ILE H 1 5 VAL HA . . 5.000 4.471 4.140 5.346 0.346 1 0 "[ . 1]" 1
12 1 4 ILE H 1 5 VAL QG . . 5.000 3.347 2.622 4.802 . 0 0 "[ . 1]" 1
13 1 4 ILE HA 1 5 VAL H . . 5.000 3.471 2.831 3.599 . 0 0 "[ . 1]" 1
14 1 4 ILE HB 1 5 VAL H . . 3.000 2.831 1.787 3.466 0.466 8 0 "[ . 1]" 1
15 1 4 ILE HG13 1 5 VAL H . . 5.000 3.637 2.886 4.077 . 0 0 "[ . 1]" 1
16 1 4 ILE H 1 5 VAL H . . 3.500 2.556 1.917 4.345 0.845 1 2 "[+ . -]" 1
17 1 5 VAL H 1 5 VAL HA . . 3.000 2.398 2.237 2.945 . 0 0 "[ . 1]" 1
18 1 5 VAL HA 1 6 LEU H . . 3.000 2.184 2.081 2.273 . 0 0 "[ . 1]" 1
19 1 5 VAL HB 1 6 LEU H . . 5.000 4.370 3.884 4.623 . 0 0 "[ . 1]" 1
20 1 5 VAL QG 1 6 LEU H . . 5.000 3.392 3.011 3.782 . 0 0 "[ . 1]" 1
21 1 5 VAL H 1 6 LEU H . . 5.000 3.555 3.358 3.811 . 0 0 "[ . 1]" 1
22 1 6 LEU HA 1 7 GLU H . . 5.000 2.629 2.177 3.584 . 0 0 "[ . 1]" 1
23 1 6 LEU MD2 1 7 GLU H . . 5.000 3.626 2.118 4.700 . 0 0 "[ . 1]" 1
24 1 6 LEU H 1 7 GLU H . . 5.000 4.232 2.890 4.656 . 0 0 "[ . 1]" 1
25 1 7 GLU H 1 7 GLU HB3 . . 4.000 3.701 3.307 3.911 . 0 0 "[ . 1]" 1
26 1 9 ILE H 1 9 ILE HB . . 3.500 2.944 2.620 3.711 0.211 6 0 "[ . 1]" 1
27 1 9 ILE H 1 9 ILE MD . . 3.500 3.060 2.273 3.401 . 0 0 "[ . 1]" 1
28 1 9 ILE HA 1 10 TYR H . . 3.000 2.139 2.041 2.188 . 0 0 "[ . 1]" 1
29 1 9 ILE HB 1 10 TYR H . . 5.000 4.119 3.530 4.237 . 0 0 "[ . 1]" 1
30 1 9 ILE MG 1 10 TYR H . . 5.000 3.166 2.923 3.631 . 0 0 "[ . 1]" 1
31 1 9 ILE H 1 10 TYR H . . 5.000 4.300 4.034 4.466 . 0 0 "[ . 1]" 1
32 1 9 ILE MG 1 11 TRP H . . 5.000 3.376 2.708 5.181 0.181 6 0 "[ . 1]" 1
33 1 10 TYR HA 1 11 TRP H . . 3.000 2.452 2.338 2.703 . 0 0 "[ . 1]" 1
34 1 10 TYR HB3 1 11 TRP H . . 5.000 4.383 4.214 4.589 . 0 0 "[ . 1]" 1
35 1 10 TYR H 1 11 TRP H . . 5.000 3.511 2.889 3.968 . 0 0 "[ . 1]" 1
36 1 10 TYR HA 1 12 ASN H . . 5.000 4.365 3.275 4.783 . 0 0 "[ . 1]" 1
37 1 15 ASN H 1 16 SER H . . 5.000 4.611 4.514 4.683 . 0 0 "[ . 1]" 1
38 1 16 SER H 1 16 SER HB3 . . 3.500 2.678 2.092 3.662 0.162 10 0 "[ . 1]" 1
39 1 16 SER H 1 17 LYS H . . 5.000 2.751 2.673 2.826 . 0 0 "[ . 1]" 1
40 1 17 LYS H 1 17 LYS HA . . 3.000 2.911 2.861 2.959 . 0 0 "[ . 1]" 1
41 1 15 ASN H 1 18 PHE H . . 3.500 3.636 3.339 3.967 0.467 6 0 "[ . 1]" 1
42 1 16 SER HA 1 18 PHE H . . 5.000 4.323 3.884 4.599 . 0 0 "[ . 1]" 1
43 1 17 LYS H 1 18 PHE HA . . 5.000 5.023 4.856 5.196 0.196 10 0 "[ . 1]" 1
44 1 17 LYS H 1 18 PHE HB3 . . 5.000 5.136 4.909 5.322 0.322 3 0 "[ . 1]" 1
45 1 17 LYS H 1 18 PHE H . . 3.000 2.659 2.568 2.846 . 0 0 "[ . 1]" 1
46 1 17 LYS HA 1 19 LEU H . . 5.000 5.073 4.760 5.297 0.297 1 0 "[ . 1]" 1
47 1 18 PHE HA 1 19 LEU H . . 3.000 2.407 2.113 2.602 . 0 0 "[ . 1]" 1
48 1 18 PHE HB3 1 19 LEU H . . 5.000 4.545 4.420 4.635 . 0 0 "[ . 1]" 1
49 1 18 PHE H 1 19 LEU H . . 5.000 3.589 3.147 4.275 . 0 0 "[ . 1]" 1
50 1 22 GLN H 1 22 GLN HA . . 3.000 2.860 2.237 3.009 0.009 2 0 "[ . 1]" 1
51 1 22 GLN H 1 22 GLN HB3 . . 3.500 3.432 2.358 3.985 0.485 8 0 "[ . 1]" 1
52 1 19 LEU H 1 23 GLY HA2 . . 5.000 4.400 3.598 4.850 . 0 0 "[ . 1]" 1
53 1 19 LEU H 1 23 GLY H . . 5.000 4.864 4.208 5.587 0.587 10 1 "[ . +]" 1
54 1 22 GLN HA 1 23 GLY H . . 5.000 3.419 2.803 3.619 . 0 0 "[ . 1]" 1
55 1 22 GLN HB3 1 23 GLY H . . 5.000 3.745 2.996 4.604 . 0 0 "[ . 1]" 1
56 1 22 GLN HG3 1 23 GLY H . . 5.000 4.890 4.421 5.369 0.369 10 0 "[ . 1]" 1
57 1 22 GLN H 1 23 GLY H . . 3.000 2.490 1.983 3.098 0.098 4 0 "[ . 1]" 1
58 1 18 PHE H 1 24 LEU QD . . 5.000 3.792 3.011 4.768 . 0 0 "[ . 1]" 1
59 1 23 GLY HA2 1 24 LEU H . . 5.000 3.413 2.760 3.532 . 0 0 "[ . 1]" 1
60 1 23 GLY H 1 24 LEU H . . 5.000 3.951 3.537 4.463 . 0 0 "[ . 1]" 1
61 1 24 LEU H 1 24 LEU QD . . 5.000 3.989 3.810 4.080 . 0 0 "[ . 1]" 1
62 1 24 LEU HA 1 25 VAL H . . 3.000 2.178 2.097 2.247 . 0 0 "[ . 1]" 1
63 1 24 LEU QD 1 25 VAL H . . 5.000 2.761 2.037 3.683 . 0 0 "[ . 1]" 1
64 1 24 LEU HG 1 25 VAL H . . 5.000 2.955 2.387 3.361 . 0 0 "[ . 1]" 1
65 1 24 LEU H 1 25 VAL H . . 5.000 4.307 4.075 4.473 . 0 0 "[ . 1]" 1
66 1 25 VAL H 1 25 VAL HB . . 3.000 2.526 2.287 2.920 . 0 0 "[ . 1]" 1
67 1 25 VAL H 1 25 VAL MG2 . . 3.500 2.703 2.342 2.975 . 0 0 "[ . 1]" 1
68 1 25 VAL HA 1 26 LEU H . . 3.000 2.142 2.079 2.213 . 0 0 "[ . 1]" 1
69 1 25 VAL HB 1 26 LEU H . . 5.000 4.240 4.109 4.320 . 0 0 "[ . 1]" 1
70 1 25 VAL MG1 1 26 LEU H . . 5.000 2.696 2.498 2.990 . 0 0 "[ . 1]" 1
71 1 25 VAL H 1 26 LEU H . . 5.000 4.427 4.134 4.620 . 0 0 "[ . 1]" 1
72 1 26 LEU H 1 26 LEU QD . . 5.000 3.045 2.516 3.411 . 0 0 "[ . 1]" 1
73 1 26 LEU QD 1 27 TYR H . . 5.000 2.523 2.068 3.089 . 0 0 "[ . 1]" 1
74 1 27 TYR H 1 27 TYR HB3 . . 3.500 3.402 2.808 3.668 0.168 8 0 "[ . 1]" 1
75 1 29 GLN H 1 29 GLN HA . . 3.000 2.983 2.951 3.001 0.001 4 0 "[ . 1]" 1
76 1 29 GLN H 1 29 GLN HB3 . . 3.500 3.391 2.971 3.657 0.157 3 0 "[ . 1]" 1
77 1 29 GLN HA 1 30 ILE H . . 3.000 2.128 2.008 2.336 . 0 0 "[ . 1]" 1
78 1 29 GLN H 1 30 ILE H . . 5.000 4.301 4.065 4.623 . 0 0 "[ . 1]" 1
79 1 30 ILE H 1 30 ILE MD . . 5.000 3.295 2.883 3.591 . 0 0 "[ . 1]" 1
80 1 30 ILE HA 1 31 GLY H . . 3.500 2.096 2.071 2.142 . 0 0 "[ . 1]" 1
81 1 30 ILE HB 1 31 GLY H . . 5.000 4.350 4.146 4.478 . 0 0 "[ . 1]" 1
82 1 30 ILE MD 1 31 GLY H . . 5.000 3.831 3.509 4.001 . 0 0 "[ . 1]" 1
83 1 30 ILE MG 1 31 GLY H . . 5.000 3.077 2.544 3.445 . 0 0 "[ . 1]" 1
84 1 4 ILE H 1 32 ASP HA . . 3.500 3.194 2.619 4.121 0.621 6 2 "[ .+- 1]" 1
85 1 4 ILE H 1 32 ASP HB3 . . 5.000 4.850 3.617 5.626 0.626 1 2 "[+ - . 1]" 1
86 1 4 ILE HG13 1 32 ASP H . . 5.000 5.019 4.352 6.248 1.248 1 2 "[+ . -]" 1
87 1 5 VAL H 1 32 ASP HA . . 5.000 3.106 2.223 4.893 . 0 0 "[ . 1]" 1
88 1 6 LEU H 1 32 ASP HA . . 5.000 4.556 4.061 5.046 0.046 10 0 "[ . 1]" 1
89 1 29 GLN H 1 32 ASP HB3 . . 5.000 5.039 3.723 6.458 1.458 7 3 "[ .-+ *]" 1
90 1 29 GLN H 1 32 ASP H . . 5.000 5.046 4.797 5.301 0.301 9 0 "[ . 1]" 1
91 1 30 ILE HA 1 32 ASP H . . 3.500 3.516 3.273 3.740 0.240 10 0 "[ . 1]" 1
92 1 30 ILE MD 1 32 ASP H . . 5.000 5.011 4.761 5.178 0.178 5 0 "[ . 1]" 1
93 1 30 ILE MG 1 32 ASP H . . 5.000 4.789 4.538 5.012 0.012 5 0 "[ . 1]" 1
94 1 31 GLY HA2 1 32 ASP H . . 3.500 3.480 3.413 3.566 0.066 8 0 "[ . 1]" 1
95 1 31 GLY H 1 32 ASP H . . 3.000 2.130 1.717 2.664 . 0 0 "[ . 1]" 1
96 1 4 ILE HG13 1 33 LYS H . . 5.000 5.147 4.522 5.939 0.939 9 4 "[ -** +1]" 1
97 1 32 ASP HA 1 33 LYS H . . 3.000 2.437 2.230 2.625 . 0 0 "[ . 1]" 1
98 1 32 ASP HB3 1 33 LYS H . . 3.500 3.424 2.149 3.809 0.309 2 0 "[ . 1]" 1
99 1 6 LEU H 1 33 LYS H . . 3.500 2.919 2.708 3.147 . 0 0 "[ . 1]" 1
100 1 6 LEU H 1 34 LEU HA . . 5.000 4.107 3.447 4.743 . 0 0 "[ . 1]" 1
101 1 6 LEU H 1 34 LEU HB3 . . 5.000 4.797 3.907 5.999 0.999 5 2 "[ - + 1]" 1
102 1 7 GLU H 1 34 LEU HA . . 5.000 5.079 3.835 5.681 0.681 6 4 "[ * .+- *1]" 1
103 1 32 ASP H 1 34 LEU QD . . 5.000 5.204 4.908 5.429 0.429 2 0 "[ . 1]" 1
104 1 33 LYS H 1 34 LEU QD . . 3.500 3.522 2.957 3.990 0.490 10 0 "[ . 1]" 1
105 1 33 LYS HA 1 34 LEU H . . 3.000 2.257 2.189 2.364 . 0 0 "[ . 1]" 1
106 1 33 LYS HB3 1 34 LEU H . . 3.500 3.559 2.635 3.920 0.420 8 0 "[ . 1]" 1
107 1 33 LYS H 1 34 LEU H . . 5.000 4.312 4.263 4.393 . 0 0 "[ . 1]" 1
108 1 34 LEU H 1 34 LEU QD . . 5.000 2.365 2.028 2.880 . 0 0 "[ . 1]" 1
109 1 9 ILE H 1 35 ASP H . . 5.000 4.078 3.781 4.556 . 0 0 "[ . 1]" 1
110 1 34 LEU HA 1 35 ASP H . . 3.000 2.093 2.005 2.161 . 0 0 "[ . 1]" 1
111 1 34 LEU HB3 1 35 ASP H . . 5.000 3.566 3.129 3.915 . 0 0 "[ . 1]" 1
112 1 34 LEU QD 1 35 ASP H . . 5.000 4.197 3.780 4.524 . 0 0 "[ . 1]" 1
113 1 35 ASP H 1 35 ASP HB3 . . 3.500 3.455 3.205 3.690 0.190 2 0 "[ . 1]" 1
114 1 9 ILE HG13 1 36 ILE H . . 5.000 5.271 4.700 5.744 0.744 4 2 "[ +. - 1]" 1
115 1 35 ASP H 1 36 ILE HA . . 5.000 4.936 4.784 5.272 0.272 4 0 "[ . 1]" 1
116 1 35 ASP HA 1 36 ILE H . . 3.000 2.111 1.974 2.220 . 0 0 "[ . 1]" 1
117 1 35 ASP HB3 1 36 ILE H . . 5.000 3.907 3.201 4.176 . 0 0 "[ . 1]" 1
118 1 36 ILE H 1 36 ILE MD . . 5.000 4.479 3.728 4.815 . 0 0 "[ . 1]" 1
119 1 36 ILE H 1 36 ILE HG13 . . 5.000 4.337 2.132 4.761 . 0 0 "[ . 1]" 1
120 1 9 ILE HG13 1 37 ILE H . . 5.000 4.430 4.029 4.977 . 0 0 "[ . 1]" 1
121 1 11 TRP H 1 37 ILE H . . 3.500 3.668 3.433 3.895 0.395 10 0 "[ . 1]" 1
122 1 36 ILE HA 1 37 ILE H . . 3.500 2.116 2.059 2.228 . 0 0 "[ . 1]" 1
123 1 36 ILE HG13 1 37 ILE H . . 5.000 3.403 2.557 5.334 0.334 6 0 "[ . 1]" 1
124 1 36 ILE MG 1 37 ILE H . . 5.000 4.005 3.043 4.398 . 0 0 "[ . 1]" 1
125 1 37 ILE H 1 37 ILE HB . . 3.500 2.625 2.506 2.813 . 0 0 "[ . 1]" 1
126 1 37 ILE H 1 37 ILE HG13 . . 3.500 3.316 2.797 3.507 0.007 7 0 "[ . 1]" 1
127 1 39 PRO HA 1 40 LYS H . . 5.000 2.589 2.259 3.529 . 0 0 "[ . 1]" 1
128 1 41 VAL HA 1 42 ASP H . . 3.000 2.140 2.055 2.289 . 0 0 "[ . 1]" 1
129 1 41 VAL HB 1 42 ASP H . . 4.000 4.180 3.323 4.485 0.485 2 0 "[ . 1]" 1
130 1 41 VAL QG 1 42 ASP H . . 3.000 2.960 2.323 3.444 0.444 2 0 "[ . 1]" 1
131 1 42 ASP H 1 42 ASP HA . . 3.000 2.816 2.672 2.918 . 0 0 "[ . 1]" 1
132 1 42 ASP HA 1 43 SER H . . 4.000 3.572 3.520 3.627 . 0 0 "[ . 1]" 1
133 1 42 ASP HB3 1 43 SER H . . 5.000 2.478 2.001 3.581 . 0 0 "[ . 1]" 1
134 1 43 SER H 1 43 SER HB3 . . 3.500 2.953 2.233 3.616 0.116 2 0 "[ . 1]" 1
135 1 42 ASP HA 1 44 LYS H . . 5.000 4.903 4.657 5.211 0.211 9 0 "[ . 1]" 1
136 1 42 ASP HB3 1 44 LYS H . . 5.000 4.934 4.595 5.382 0.382 1 0 "[ . 1]" 1
137 1 43 SER HA 1 44 LYS H . . 5.000 3.552 3.495 3.606 . 0 0 "[ . 1]" 1
138 1 44 LYS H 1 44 LYS HA . . 3.000 2.926 2.865 2.972 . 0 0 "[ . 1]" 1
139 1 44 LYS H 1 44 LYS HB3 . . 4.000 3.509 2.365 3.708 . 0 0 "[ . 1]" 1
140 1 41 VAL HA 1 45 THR H . . 3.000 3.453 3.093 3.779 0.779 4 4 "[- +* * 1]" 1
141 1 42 ASP H 1 45 THR HA . . 5.000 4.254 3.203 5.563 0.563 2 2 "[ + - 1]" 1
142 1 42 ASP H 1 45 THR MG . . 5.000 4.625 2.930 5.410 0.410 2 0 "[ . 1]" 1
143 1 42 ASP HB3 1 45 THR H . . 5.000 5.754 5.341 5.961 0.961 9 8 "[*-* *** +*]" 1
144 1 42 ASP H 1 45 THR H . . 5.000 2.570 2.353 2.796 . 0 0 "[ . 1]" 1
145 1 44 LYS H 1 45 THR H . . 3.000 2.566 2.278 2.825 . 0 0 "[ . 1]" 1
146 1 45 THR H 1 45 THR HA . . 3.000 2.533 2.219 2.985 . 0 0 "[ . 1]" 1
147 1 41 VAL HA 1 46 VAL H . . 5.000 4.608 3.121 5.484 0.484 10 0 "[ . 1]" 1
148 1 41 VAL QG 1 46 VAL H . . 5.000 3.455 2.280 4.359 . 0 0 "[ . 1]" 1
149 1 45 THR HA 1 46 VAL H . . 4.000 3.095 2.578 3.608 . 0 0 "[ . 1]" 1
150 1 45 THR MG 1 46 VAL H . . 5.000 3.824 2.371 4.434 . 0 0 "[ . 1]" 1
151 1 45 THR H 1 46 VAL H . . 3.000 2.926 2.657 3.227 0.227 4 0 "[ . 1]" 1
152 1 46 VAL H 1 46 VAL HA . . 3.000 2.723 2.187 3.004 0.004 1 0 "[ . 1]" 1
153 1 46 VAL H 1 46 VAL HB . . 4.000 3.021 2.085 3.949 . 0 0 "[ . 1]" 1
154 1 41 VAL QG 1 47 GLY H . . 5.000 3.346 1.817 4.761 . 0 0 "[ . 1]" 1
155 1 46 VAL HA 1 47 GLY H . . 5.000 3.319 2.624 3.607 . 0 0 "[ . 1]" 1
156 1 46 VAL HB 1 47 GLY H . . 5.000 3.945 3.278 4.489 . 0 0 "[ . 1]" 1
157 1 46 VAL H 1 47 GLY H . . 3.000 2.621 2.126 3.238 0.238 2 0 "[ . 1]" 1
158 1 41 VAL QG 1 48 GLN H . . 3.500 2.958 2.280 3.705 0.205 4 0 "[ . 1]" 1
159 1 47 GLY H 1 48 GLN HA . . 5.000 4.697 4.290 5.163 0.163 8 0 "[ . 1]" 1
160 1 47 GLY H 1 48 GLN H . . 3.000 2.478 2.254 2.824 . 0 0 "[ . 1]" 1
161 1 48 GLN H 1 48 GLN HA . . 3.000 2.665 2.187 3.007 0.007 2 0 "[ . 1]" 1
162 1 41 VAL QG 1 49 TYR H . . 3.500 2.721 1.876 3.610 0.110 7 0 "[ . 1]" 1
163 1 48 GLN HA 1 49 TYR H . . 3.500 2.632 2.082 3.425 . 0 0 "[ . 1]" 1
164 1 48 GLN HB3 1 49 TYR H . . 5.000 4.330 3.623 4.706 . 0 0 "[ . 1]" 1
165 1 48 GLN H 1 49 TYR H . . 3.500 2.897 1.674 3.606 0.106 6 0 "[ . 1]" 1
166 1 49 TYR H 1 49 TYR HB3 . . 3.000 2.992 2.629 3.229 0.229 1 0 "[ . 1]" 1
167 1 51 TYR H 1 51 TYR HB3 . . 3.500 3.220 2.839 3.852 0.352 6 0 "[ . 1]" 1
168 1 52 TYR HA 1 53 LYS H . . 3.500 2.294 2.084 2.457 . 0 0 "[ . 1]" 1
169 1 52 TYR HB3 1 53 LYS H . . 5.000 3.009 2.496 4.158 . 0 0 "[ . 1]" 1
170 1 53 LYS H 1 54 VAL HA . . 5.000 4.759 4.530 4.981 . 0 0 "[ . 1]" 1
171 1 53 LYS H 1 54 VAL MG2 . . 5.000 4.401 3.602 5.024 0.024 7 0 "[ . 1]" 1
172 1 53 LYS H 1 54 VAL H . . 5.000 4.092 3.548 4.373 . 0 0 "[ . 1]" 1
173 1 54 VAL H 1 54 VAL HB . . 3.500 2.482 2.144 3.144 . 0 0 "[ . 1]" 1
174 1 58 ASP HA 1 59 LYS H . . 3.000 2.381 2.307 2.478 . 0 0 "[ . 1]" 1
175 1 58 ASP HB3 1 59 LYS H . . 3.500 2.732 2.502 3.157 . 0 0 "[ . 1]" 1
176 1 58 ASP HA 1 60 ASP H . . 5.000 4.299 4.098 4.612 . 0 0 "[ . 1]" 1
177 1 58 ASP HB3 1 60 ASP H . . 3.500 2.894 2.598 3.135 . 0 0 "[ . 1]" 1
178 1 59 LYS H 1 60 ASP H . . 3.500 2.893 2.723 2.981 . 0 0 "[ . 1]" 1
179 1 60 ASP H 1 60 ASP HA . . 3.000 2.861 2.832 2.893 . 0 0 "[ . 1]" 1
180 1 60 ASP H 1 60 ASP HB3 . . 3.000 2.544 2.224 2.949 . 0 0 "[ . 1]" 1
181 1 57 VAL QG 1 61 GLN H . . 5.000 3.855 3.425 4.642 . 0 0 "[ . 1]" 1
182 1 60 ASP H 1 61 GLN HB3 . . 5.000 6.067 4.802 6.425 1.425 9 9 "[** ***-*+*]" 1
183 1 60 ASP H 1 61 GLN HG3 . . 5.000 5.659 4.297 6.428 1.428 9 7 "[** ** -+*]" 1
184 1 60 ASP HA 1 61 GLN H . . 5.000 3.562 3.503 3.591 . 0 0 "[ . 1]" 1
185 1 60 ASP HB3 1 61 GLN H . . 3.000 2.707 2.458 3.067 0.067 3 0 "[ . 1]" 1
186 1 60 ASP H 1 61 GLN H . . 3.000 2.748 2.602 2.906 . 0 0 "[ . 1]" 1
187 1 61 GLN H 1 61 GLN HB3 . . 3.500 3.393 2.183 3.564 0.064 8 0 "[ . 1]" 1
188 1 61 GLN H 1 61 GLN HG3 . . 3.500 3.386 2.265 3.881 0.381 9 0 "[ . 1]" 1
189 1 60 ASP HA 1 62 ALA H . . 5.000 4.523 4.188 4.761 . 0 0 "[ . 1]" 1
190 1 61 GLN H 1 62 ALA MB . . 5.000 4.208 4.134 4.303 . 0 0 "[ . 1]" 1
191 1 61 GLN HA 1 62 ALA H . . 5.000 3.582 3.555 3.618 . 0 0 "[ . 1]" 1
192 1 61 GLN HB3 1 62 ALA H . . 5.000 3.616 3.475 3.777 . 0 0 "[ . 1]" 1
193 1 61 GLN HG3 1 62 ALA H . . 5.000 4.658 2.282 5.201 0.201 2 0 "[ . 1]" 1
194 1 61 GLN H 1 62 ALA H . . 3.500 2.567 2.446 2.688 . 0 0 "[ . 1]" 1
195 1 62 ALA H 1 62 ALA MB . . 3.000 2.208 2.168 2.287 . 0 0 "[ . 1]" 1
196 1 60 ASP H 1 63 ASP H . . 5.000 4.816 4.611 5.397 0.397 3 0 "[ . 1]" 1
197 1 61 GLN H 1 63 ASP H . . 5.000 4.015 3.798 4.370 . 0 0 "[ . 1]" 1
198 1 62 ALA H 1 63 ASP HB3 . . 5.000 5.398 5.146 5.669 0.669 9 4 "[ *. *-+1]" 1
199 1 62 ALA HA 1 63 ASP H . . 5.000 3.544 3.427 3.631 . 0 0 "[ . 1]" 1
200 1 62 ALA MB 1 63 ASP H . . 3.500 2.761 2.428 3.170 . 0 0 "[ . 1]" 1
201 1 62 ALA H 1 63 ASP H . . 3.000 2.751 2.660 2.841 . 0 0 "[ . 1]" 1
202 1 63 ASP H 1 63 ASP HA . . 3.000 2.871 2.775 2.981 . 0 0 "[ . 1]" 1
203 1 63 ASP H 1 63 ASP HB3 . . 3.000 2.888 2.564 3.145 0.145 9 0 "[ . 1]" 1
204 1 61 GLN HA 1 64 ARG H . . 5.000 3.344 2.846 3.803 . 0 0 "[ . 1]" 1
205 1 62 ALA MB 1 64 ARG H . . 5.000 4.620 4.457 4.857 . 0 0 "[ . 1]" 1
206 1 62 ALA H 1 64 ARG H . . 5.000 4.257 4.038 4.433 . 0 0 "[ . 1]" 1
207 1 63 ASP HA 1 64 ARG H . . 5.000 3.541 3.497 3.589 . 0 0 "[ . 1]" 1
208 1 63 ASP HB3 1 64 ARG H . . 3.500 2.873 2.619 3.182 . 0 0 "[ . 1]" 1
209 1 63 ASP H 1 64 ARG H . . 3.500 2.625 2.127 2.845 . 0 0 "[ . 1]" 1
210 1 64 ARG H 1 64 ARG HA . . 3.000 2.942 2.871 3.014 0.014 3 0 "[ . 1]" 1
211 1 64 ARG H 1 64 ARG HB3 . . 3.000 3.610 3.529 3.699 0.699 3 10 [**+****-**] 1
212 1 62 ALA HA 1 65 CYS H . . 5.000 3.465 2.657 4.145 . 0 0 "[ . 1]" 1
213 1 63 ASP H 1 65 CYS H . . 5.000 3.950 3.503 5.070 0.070 9 0 "[ . 1]" 1
214 1 64 ARG HA 1 65 CYS H . . 3.500 3.399 3.294 3.502 0.002 9 0 "[ . 1]" 1
215 1 64 ARG HB3 1 65 CYS H . . 3.500 3.841 2.714 4.267 0.767 6 3 "[ .+- *]" 1
216 1 64 ARG H 1 65 CYS H . . 3.000 2.535 1.974 2.791 . 0 0 "[ . 1]" 1
217 1 65 CYS H 1 65 CYS HA . . 3.000 2.257 2.165 2.595 . 0 0 "[ . 1]" 1
218 1 64 ARG HB3 1 66 THR H . . 5.000 3.841 2.564 4.547 . 0 0 "[ . 1]" 1
219 1 64 ARG H 1 66 THR H . . 5.000 4.203 3.522 4.826 . 0 0 "[ . 1]" 1
220 1 65 CYS H 1 66 THR MG . . 5.000 4.232 3.896 4.444 . 0 0 "[ . 1]" 1
221 1 65 CYS HA 1 66 THR H . . 5.000 2.706 2.339 3.518 . 0 0 "[ . 1]" 1
222 1 65 CYS HB3 1 66 THR H . . 5.000 4.325 3.406 4.537 . 0 0 "[ . 1]" 1
223 1 65 CYS H 1 66 THR H . . 5.000 2.714 2.345 2.879 . 0 0 "[ . 1]" 1
224 1 66 THR H 1 66 THR MG . . 3.500 2.971 2.350 3.266 . 0 0 "[ . 1]" 1
225 1 66 THR HA 1 67 ILE H . . 3.000 2.222 2.069 2.372 . 0 0 "[ . 1]" 1
226 1 66 THR HB 1 67 ILE H . . 3.500 2.885 2.465 3.717 0.217 3 0 "[ . 1]" 1
227 1 66 THR H 1 67 ILE H . . 5.000 4.429 4.240 4.640 . 0 0 "[ . 1]" 1
228 1 67 ILE H 1 67 ILE HA . . 3.000 2.986 2.896 3.007 0.007 6 0 "[ . 1]" 1
229 1 67 ILE H 1 67 ILE HB . . 3.000 2.782 2.635 2.955 . 0 0 "[ . 1]" 1
230 1 67 ILE H 1 67 ILE MD . . 5.000 3.501 3.121 4.238 . 0 0 "[ . 1]" 1
231 1 67 ILE H 1 67 ILE HG13 . . 3.500 3.616 2.665 3.932 0.432 6 0 "[ . 1]" 1
232 1 68 LYS HA 1 69 LYS H . . 3.000 2.200 2.111 2.326 . 0 0 "[ . 1]" 1
233 1 68 LYS HB3 1 69 LYS H . . 5.000 3.747 3.271 4.013 . 0 0 "[ . 1]" 1
234 1 69 LYS H 1 69 LYS HA . . 3.000 2.861 2.819 2.908 . 0 0 "[ . 1]" 1
235 1 68 LYS HA 1 70 GLU H . . 5.000 3.730 3.615 3.898 . 0 0 "[ . 1]" 1
236 1 68 LYS HB3 1 70 GLU H . . 5.000 2.812 2.440 3.191 . 0 0 "[ . 1]" 1
237 1 69 LYS HA 1 70 GLU H . . 5.000 3.446 3.423 3.490 . 0 0 "[ . 1]" 1
238 1 69 LYS H 1 70 GLU H . . 3.500 2.793 2.704 2.912 . 0 0 "[ . 1]" 1
239 1 70 GLU H 1 70 GLU HA . . 3.000 2.906 2.884 2.926 . 0 0 "[ . 1]" 1
240 1 70 GLU H 1 70 GLU HB3 . . 3.000 3.516 2.579 3.636 0.636 7 9 "[*** *-+***]" 1
241 1 70 GLU H 1 70 GLU HG3 . . 3.500 2.575 2.345 3.731 0.231 4 0 "[ . 1]" 1
242 1 68 LYS HA 1 71 ASN H . . 5.000 4.792 4.689 4.899 . 0 0 "[ . 1]" 1
243 1 69 LYS HA 1 71 ASN H . . 3.500 3.382 3.221 3.671 0.171 9 0 "[ . 1]" 1
244 1 69 LYS H 1 71 ASN H . . 5.000 4.320 4.267 4.362 . 0 0 "[ . 1]" 1
245 1 70 GLU H 1 71 ASN HA . . 5.000 5.271 5.198 5.410 0.410 2 0 "[ . 1]" 1
246 1 70 GLU HA 1 71 ASN H . . 4.000 3.358 3.268 3.443 . 0 0 "[ . 1]" 1
247 1 70 GLU HG3 1 71 ASN H . . 5.000 4.777 4.202 4.949 . 0 0 "[ . 1]" 1
248 1 70 GLU H 1 71 ASN H . . 3.000 2.716 2.655 2.797 . 0 0 "[ . 1]" 1
249 1 71 ASN H 1 71 ASN HA . . 3.000 2.890 2.818 2.988 . 0 0 "[ . 1]" 1
250 1 71 ASN HA 1 72 THR H . . 3.000 2.405 2.214 2.541 . 0 0 "[ . 1]" 1
251 1 71 ASN HB3 1 72 THR H . . 3.500 3.117 2.060 3.736 0.236 4 0 "[ . 1]" 1
252 1 71 ASN H 1 72 THR H . . 5.000 4.526 4.409 4.587 . 0 0 "[ . 1]" 1
253 1 72 THR H 1 72 THR HA . . 3.000 2.860 2.685 2.984 . 0 0 "[ . 1]" 1
254 1 54 VAL H 1 75 LEU HB3 . . 5.000 3.136 2.292 4.065 . 0 0 "[ . 1]" 1
255 1 54 VAL H 1 75 LEU QD . . 5.000 3.760 2.654 4.830 . 0 0 "[ . 1]" 1
256 1 54 VAL MG2 1 75 LEU H . . 5.000 4.732 4.192 5.461 0.461 10 0 "[ . 1]" 1
257 1 74 LEU HA 1 75 LEU H . . 5.000 2.921 2.117 3.629 . 0 0 "[ . 1]" 1
258 1 75 LEU H 1 75 LEU HB3 . . 3.500 2.876 2.409 3.355 . 0 0 "[ . 1]" 1
259 1 75 LEU H 1 75 LEU QD . . 5.000 3.863 3.703 4.014 . 0 0 "[ . 1]" 1
260 1 75 LEU H 1 75 LEU HG . . 5.000 4.754 4.448 5.134 0.134 10 0 "[ . 1]" 1
261 1 75 LEU HB3 1 76 ASN H . . 5.000 3.523 2.105 4.496 . 0 0 "[ . 1]" 1
262 1 75 LEU QD 1 76 ASN H . . 5.000 2.303 1.792 2.995 . 0 0 "[ . 1]" 1
263 1 75 LEU HG 1 76 ASN H . . 5.000 4.313 2.087 5.261 0.261 5 0 "[ . 1]" 1
264 1 76 ASN HB3 1 77 CYS H . . 5.000 3.730 2.024 4.602 . 0 0 "[ . 1]" 1
265 1 76 ASN H 1 77 CYS H . . 5.000 3.723 3.410 3.938 . 0 0 "[ . 1]" 1
266 1 77 CYS H 1 78 ALA MB . . 5.000 4.585 4.039 5.472 0.472 8 0 "[ . 1]" 1
267 1 77 CYS H 1 78 ALA H . . 5.000 3.808 3.160 4.598 . 0 0 "[ . 1]" 1
268 1 78 ALA H 1 78 ALA MB . . 3.500 2.641 2.177 3.004 . 0 0 "[ . 1]" 1
269 1 81 ASP H 1 81 ASP HA . . 3.000 2.913 2.853 2.974 . 0 0 "[ . 1]" 1
270 1 81 ASP H 1 81 ASP HB3 . . 3.500 3.240 2.828 3.562 0.062 10 0 "[ . 1]" 1
271 1 81 ASP H 1 82 GLN HB3 . . 5.000 4.819 3.739 5.408 0.408 6 0 "[ . 1]" 1
272 1 81 ASP HB3 1 82 GLN H . . 5.000 4.184 3.240 4.656 . 0 0 "[ . 1]" 1
273 1 82 GLN H 1 82 GLN HA . . 3.000 2.779 2.201 2.967 . 0 0 "[ . 1]" 1
274 1 82 GLN H 1 82 GLN HB3 . . 3.500 3.487 2.910 3.854 0.354 10 0 "[ . 1]" 1
275 1 82 GLN H 1 82 GLN HG3 . . 5.000 4.519 4.332 4.836 . 0 0 "[ . 1]" 1
276 1 82 GLN HA 1 83 ASP H . . 3.000 2.450 2.142 3.154 0.154 1 0 "[ . 1]" 1
277 1 82 GLN HB3 1 83 ASP H . . 5.000 3.160 2.134 3.960 . 0 0 "[ . 1]" 1
278 1 82 GLN HG3 1 83 ASP H . . 5.000 3.720 2.500 4.264 . 0 0 "[ . 1]" 1
279 1 82 GLN H 1 83 ASP H . . 5.000 4.399 4.162 4.712 . 0 0 "[ . 1]" 1
280 1 78 ALA H 1 84 ILE MD . . 3.500 3.664 3.325 4.016 0.516 2 1 "[ + . 1]" 1
281 1 83 ASP H 1 84 ILE MD . . 5.000 5.184 4.824 5.522 0.522 7 1 "[ . + 1]" 1
282 1 83 ASP HA 1 84 ILE H . . 3.000 2.206 2.158 2.289 . 0 0 "[ . 1]" 1
283 1 83 ASP HB3 1 84 ILE H . . 5.000 4.045 3.576 4.304 . 0 0 "[ . 1]" 1
284 1 83 ASP H 1 84 ILE H . . 5.000 4.616 4.537 4.685 . 0 0 "[ . 1]" 1
285 1 84 ILE H 1 84 ILE HB . . 3.500 2.610 2.419 3.001 . 0 0 "[ . 1]" 1
286 1 84 ILE H 1 84 ILE MD . . 5.000 3.801 3.405 4.226 . 0 0 "[ . 1]" 1
287 1 84 ILE H 1 84 ILE HG13 . . 5.000 4.728 4.656 4.807 . 0 0 "[ . 1]" 1
288 1 37 ILE H 1 85 LYS HA . . 5.000 4.807 4.670 4.972 . 0 0 "[ . 1]" 1
289 1 84 ILE HA 1 85 LYS H . . 3.000 2.085 2.033 2.127 . 0 0 "[ . 1]" 1
290 1 84 ILE HB 1 85 LYS H . . 5.000 4.363 4.321 4.443 . 0 0 "[ . 1]" 1
291 1 84 ILE MD 1 85 LYS H . . 3.500 3.508 3.298 3.766 0.266 6 0 "[ . 1]" 1
292 1 84 ILE HG13 1 85 LYS H . . 3.500 2.883 2.619 3.238 . 0 0 "[ . 1]" 1
293 1 84 ILE MG 1 85 LYS H . . 3.500 3.181 2.706 3.434 . 0 0 "[ . 1]" 1
294 1 84 ILE H 1 85 LYS H . . 5.000 4.413 4.305 4.456 . 0 0 "[ . 1]" 1
295 1 35 ASP HB3 1 86 PHE H . . 5.000 5.441 4.825 5.824 0.824 8 5 "[* -.* +*1]" 1
296 1 36 ILE MD 1 86 PHE H . . 5.000 5.117 3.067 5.576 0.576 8 1 "[ . + 1]" 1
297 1 36 ILE H 1 86 PHE H . . 5.000 3.214 2.993 3.424 . 0 0 "[ . 1]" 1
298 1 37 ILE HA 1 86 PHE H . . 5.000 3.851 3.585 4.063 . 0 0 "[ . 1]" 1
299 1 85 LYS H 1 86 PHE HA . . 5.000 4.863 4.746 4.945 . 0 0 "[ . 1]" 1
300 1 85 LYS HA 1 86 PHE H . . 3.000 2.102 2.060 2.137 . 0 0 "[ . 1]" 1
301 1 85 LYS H 1 86 PHE H . . 5.000 4.127 3.903 4.256 . 0 0 "[ . 1]" 1
302 1 34 LEU H 1 87 THR HA . . 5.000 4.655 4.433 4.871 . 0 0 "[ . 1]" 1
303 1 35 ASP HA 1 87 THR H . . 5.000 4.712 4.575 4.922 . 0 0 "[ . 1]" 1
304 1 86 PHE H 1 87 THR HA . . 5.000 4.732 4.625 4.770 . 0 0 "[ . 1]" 1
305 1 86 PHE HA 1 87 THR H . . 3.000 2.164 2.132 2.276 . 0 0 "[ . 1]" 1
306 1 86 PHE HB3 1 87 THR H . . 5.000 3.727 3.380 4.095 . 0 0 "[ . 1]" 1
307 1 86 PHE H 1 87 THR H . . 5.000 4.154 3.960 4.345 . 0 0 "[ . 1]" 1
308 1 87 THR H 1 87 THR HB . . 3.000 3.134 2.903 3.358 0.358 4 0 "[ . 1]" 1
309 1 87 THR H 1 87 THR MG . . 3.500 2.295 2.126 2.475 . 0 0 "[ . 1]" 1
310 1 33 LYS HA 1 88 ILE H . . 5.000 5.001 4.884 5.214 0.214 2 0 "[ . 1]" 1
311 1 33 LYS HB3 1 88 ILE H . . 5.000 5.536 4.525 6.294 1.294 2 7 "[ + *****-1]" 1
312 1 34 LEU H 1 88 ILE MG . . 5.000 3.489 2.419 4.164 . 0 0 "[ . 1]" 1
313 1 34 LEU H 1 88 ILE H . . 5.000 3.199 3.094 3.431 . 0 0 "[ . 1]" 1
314 1 87 THR HA 1 88 ILE H . . 3.500 2.073 2.050 2.104 . 0 0 "[ . 1]" 1
315 1 87 THR HB 1 88 ILE H . . 5.000 4.204 4.049 4.281 . 0 0 "[ . 1]" 1
316 1 87 THR MG 1 88 ILE H . . 5.000 4.130 3.927 4.315 . 0 0 "[ . 1]" 1
317 1 87 THR H 1 88 ILE H . . 5.000 4.301 4.163 4.456 . 0 0 "[ . 1]" 1
318 1 88 ILE H 1 88 ILE HB . . 3.500 2.501 2.400 2.659 . 0 0 "[ . 1]" 1
319 1 88 ILE H 1 88 ILE MD . . 5.000 4.123 3.092 4.509 . 0 0 "[ . 1]" 1
320 1 88 ILE HA 1 89 LYS H . . 3.000 2.068 2.002 2.158 . 0 0 "[ . 1]" 1
321 1 88 ILE HB 1 89 LYS H . . 5.000 4.370 4.170 4.554 . 0 0 "[ . 1]" 1
322 1 88 ILE MD 1 89 LYS H . . 5.000 4.766 4.463 5.090 0.090 10 0 "[ . 1]" 1
323 1 88 ILE HG13 1 89 LYS H . . 5.000 4.353 3.614 4.751 . 0 0 "[ . 1]" 1
324 1 88 ILE MG 1 89 LYS H . . 3.500 2.832 2.420 3.275 . 0 0 "[ . 1]" 1
325 1 88 ILE H 1 89 LYS H . . 5.000 4.313 4.211 4.388 . 0 0 "[ . 1]" 1
326 1 30 ILE MD 1 90 PHE H . . 5.000 5.258 5.117 5.546 0.546 2 1 "[ + . 1]" 1
327 1 30 ILE MG 1 90 PHE H . . 5.000 5.288 4.961 5.720 0.720 9 2 "[ - +1]" 1
328 1 31 GLY H 1 90 PHE H . . 5.000 4.299 3.842 4.621 . 0 0 "[ . 1]" 1
329 1 33 LYS HA 1 90 PHE H . . 5.000 3.272 2.937 3.645 . 0 0 "[ . 1]" 1
330 1 33 LYS HG3 1 90 PHE H . . 5.000 5.436 4.174 6.095 1.095 5 7 "[ * *+-** *]" 1
331 1 33 LYS H 1 90 PHE H . . 5.000 4.954 4.657 5.209 0.209 8 0 "[ . 1]" 1
332 1 88 ILE MG 1 90 PHE H . . 5.000 4.200 3.265 4.588 . 0 0 "[ . 1]" 1
333 1 89 LYS HA 1 90 PHE H . . 3.000 2.201 2.098 2.342 . 0 0 "[ . 1]" 1
334 1 89 LYS H 1 90 PHE H . . 5.000 4.428 4.084 4.590 . 0 0 "[ . 1]" 1
335 1 30 ILE MD 1 91 GLN H . . 5.000 4.227 2.486 5.086 0.086 2 0 "[ . 1]" 1
336 1 30 ILE MG 1 91 GLN H . . 5.000 4.268 3.288 4.825 . 0 0 "[ . 1]" 1
337 1 88 ILE MG 1 91 GLN H . . 5.000 4.907 4.061 5.487 0.487 10 0 "[ . 1]" 1
338 1 89 LYS HA 1 91 GLN H . . 5.000 4.716 4.199 5.545 0.545 8 1 "[ . + 1]" 1
339 1 90 PHE HA 1 91 GLN H . . 5.000 2.750 2.142 3.566 . 0 0 "[ . 1]" 1
340 1 90 PHE H 1 91 GLN H . . 5.000 3.658 3.041 4.377 . 0 0 "[ . 1]" 1
341 1 91 GLN H 1 91 GLN HB3 . . 3.500 2.885 2.421 3.497 . 0 0 "[ . 1]" 1
342 1 30 ILE MD 1 92 GLU H . . 5.000 4.483 3.268 5.492 0.492 9 0 "[ . 1]" 1
343 1 30 ILE MG 1 92 GLU H . . 5.000 4.265 3.377 5.393 0.393 5 0 "[ . 1]" 1
344 1 91 GLN H 1 92 GLU H . . 5.000 4.042 2.499 4.664 . 0 0 "[ . 1]" 1
345 1 92 GLU H 1 92 GLU HA . . 3.000 2.836 2.226 2.972 . 0 0 "[ . 1]" 1
346 1 92 GLU H 1 93 PHE HA . . 5.000 4.884 4.191 5.384 0.384 1 0 "[ . 1]" 1
347 1 92 GLU HA 1 93 PHE H . . 5.000 3.120 2.349 3.603 . 0 0 "[ . 1]" 1
348 1 92 GLU H 1 93 PHE H . . 3.500 2.773 2.267 3.168 . 0 0 "[ . 1]" 1
349 1 93 PHE H 1 93 PHE HA . . 3.000 2.916 2.810 2.988 . 0 0 "[ . 1]" 1
350 1 93 PHE H 1 93 PHE HB3 . . 3.000 2.970 2.287 3.689 0.689 8 3 "[ *-. + 1]" 1
351 1 93 PHE HA 1 94 SER H . . 3.000 2.212 2.142 2.264 . 0 0 "[ . 1]" 1
352 1 93 PHE H 1 94 SER H . . 5.000 4.490 4.193 4.685 . 0 0 "[ . 1]" 1
353 1 95 PRO HA 1 96 ASN H . . 5.000 3.503 3.453 3.583 . 0 0 "[ . 1]" 1
354 1 96 ASN H 1 96 ASN HA . . 3.000 2.920 2.857 2.998 . 0 0 "[ . 1]" 1
355 1 96 ASN H 1 96 ASN HB3 . . 3.500 3.156 2.697 3.516 0.016 3 0 "[ . 1]" 1
356 1 96 ASN H 1 97 LEU H . . 5.000 2.992 2.095 4.286 . 0 0 "[ . 1]" 1
357 1 97 LEU H 1 97 LEU MD1 . . 5.000 4.367 4.028 4.648 . 0 0 "[ . 1]" 1
358 1 97 LEU HA 1 98 TRP H . . 3.500 2.437 2.137 3.440 . 0 0 "[ . 1]" 1
359 1 97 LEU HB3 1 98 TRP H . . 5.000 3.782 2.464 4.426 . 0 0 "[ . 1]" 1
360 1 97 LEU H 1 98 TRP H . . 5.000 3.862 3.120 4.371 . 0 0 "[ . 1]" 1
361 1 98 TRP H 1 98 TRP HA . . 3.000 2.892 2.831 2.948 . 0 0 "[ . 1]" 1
362 1 98 TRP HA 1 99 GLY H . . 5.000 3.305 3.207 3.414 . 0 0 "[ . 1]" 1
363 1 98 TRP H 1 99 GLY H . . 5.000 2.808 2.543 2.925 . 0 0 "[ . 1]" 1
364 1 89 LYS H 1 100 LEU QD . . 5.000 3.630 2.079 4.736 . 0 0 "[ . 1]" 1
365 1 99 GLY H 1 100 LEU H . . 3.000 2.573 1.991 3.074 0.074 7 0 "[ . 1]" 1
366 1 100 LEU H 1 100 LEU HA . . 3.000 2.953 2.905 2.986 . 0 0 "[ . 1]" 1
367 1 100 LEU H 1 100 LEU QD . . 5.000 3.067 2.266 3.538 . 0 0 "[ . 1]" 1
368 1 100 LEU H 1 100 LEU HG . . 3.000 2.466 2.045 2.974 . 0 0 "[ . 1]" 1
369 1 94 SER H 1 101 GLU HA . . 5.000 4.731 3.714 5.432 0.432 7 0 "[ . 1]" 1
370 1 94 SER H 1 101 GLU HG3 . . 5.000 2.541 2.179 3.398 . 0 0 "[ . 1]" 1
371 1 100 LEU HA 1 101 GLU H . . 5.000 3.458 3.276 3.589 . 0 0 "[ . 1]" 1
372 1 100 LEU QD 1 101 GLU H . . 5.000 4.109 2.243 4.546 . 0 0 "[ . 1]" 1
373 1 100 LEU H 1 101 GLU H . . 3.000 2.423 1.979 2.593 . 0 0 "[ . 1]" 1
374 1 101 GLU H 1 101 GLU HA . . 3.000 2.909 2.770 2.993 . 0 0 "[ . 1]" 1
375 1 101 GLU H 1 101 GLU HG3 . . 5.000 3.230 2.730 4.073 . 0 0 "[ . 1]" 1
376 1 101 GLU HA 1 102 PHE H . . 3.000 2.175 2.085 2.302 . 0 0 "[ . 1]" 1
377 1 101 GLU HG3 1 102 PHE H . . 5.000 4.727 4.134 5.076 0.076 10 0 "[ . 1]" 1
378 1 101 GLU H 1 102 PHE H . . 5.000 4.592 4.542 4.625 . 0 0 "[ . 1]" 1
379 1 102 PHE HA 1 103 GLN H . . 3.000 2.356 2.251 2.461 . 0 0 "[ . 1]" 1
380 1 102 PHE H 1 103 GLN H . . 5.000 4.465 4.370 4.589 . 0 0 "[ . 1]" 1
381 1 103 GLN H 1 103 GLN HB3 . . 3.000 3.785 3.686 3.870 0.870 6 10 [****-+****] 1
382 1 103 GLN H 1 103 GLN HG3 . . 5.000 3.563 2.721 4.275 . 0 0 "[ . 1]" 1
383 1 103 GLN HA 1 104 LYS H . . 3.000 2.240 2.113 2.604 . 0 0 "[ . 1]" 1
384 1 103 GLN HG3 1 104 LYS H . . 5.000 4.759 4.274 5.430 0.430 10 0 "[ . 1]" 1
385 1 103 GLN H 1 104 LYS H . . 5.000 4.423 4.276 4.542 . 0 0 "[ . 1]" 1
386 1 104 LYS HA 1 105 ASN H . . 3.000 2.369 2.137 2.573 . 0 0 "[ . 1]" 1
387 1 105 ASN H 1 105 ASN HA . . 3.000 2.244 2.220 2.266 . 0 0 "[ . 1]" 1
388 1 104 LYS HA 1 106 LYS H . . 3.500 3.321 3.072 3.564 0.064 7 0 "[ . 1]" 1
389 1 105 ASN HA 1 106 LYS H . . 3.000 2.777 2.680 2.871 . 0 0 "[ . 1]" 1
390 1 105 ASN HB3 1 106 LYS H . . 5.000 4.411 4.265 4.679 . 0 0 "[ . 1]" 1
391 1 105 ASN H 1 106 LYS H . . 3.000 2.761 2.562 2.843 . 0 0 "[ . 1]" 1
392 1 106 LYS H 1 106 LYS HA . . 3.000 2.977 2.943 3.000 . 9 0 "[ . 1]" 1
393 1 106 LYS H 1 106 LYS HG3 . . 5.000 4.669 4.220 5.025 0.025 8 0 "[ . 1]" 1
394 1 106 LYS H 1 107 ASP HA . . 5.000 4.904 4.705 5.198 0.198 9 0 "[ . 1]" 1
395 1 106 LYS HA 1 107 ASP H . . 3.000 2.118 2.050 2.222 . 0 0 "[ . 1]" 1
396 1 106 LYS HG3 1 107 ASP H . . 5.000 4.258 2.868 4.942 . 0 0 "[ . 1]" 1
397 1 106 LYS H 1 107 ASP H . . 5.000 4.298 4.057 4.444 . 0 0 "[ . 1]" 1
398 1 107 ASP H 1 107 ASP HB3 . . 3.500 3.224 2.277 3.666 0.166 4 0 "[ . 1]" 1
399 1 107 ASP HA 1 108 TYR H . . 3.000 2.196 2.129 2.299 . 0 0 "[ . 1]" 1
400 1 107 ASP HB3 1 108 TYR H . . 5.000 3.638 3.020 4.330 . 0 0 "[ . 1]" 1
401 1 107 ASP H 1 108 TYR H . . 5.000 4.437 3.976 4.599 . 0 0 "[ . 1]" 1
402 1 108 TYR HA 1 109 TYR H . . 3.500 2.155 2.067 2.337 . 0 0 "[ . 1]" 1
403 1 108 TYR HB3 1 109 TYR H . . 5.000 3.238 2.798 3.655 . 0 0 "[ . 1]" 1
404 1 108 TYR H 1 109 TYR H . . 5.000 4.403 4.270 4.568 . 0 0 "[ . 1]" 1
405 1 57 VAL H 1 110 ILE HA . . 5.000 2.618 2.092 2.967 . 0 0 "[ . 1]" 1
406 1 57 VAL H 1 110 ILE HG13 . . 5.000 4.789 4.475 4.970 . 0 0 "[ . 1]" 1
407 1 57 VAL H 1 110 ILE MG . . 5.000 4.556 3.994 5.074 0.074 4 0 "[ . 1]" 1
408 1 109 TYR H 1 110 ILE MD . . 5.000 4.653 3.417 5.307 0.307 1 0 "[ . 1]" 1
409 1 55 TYR H 1 110 ILE MG . . 5.000 2.817 2.476 3.220 . 0 0 "[ . 1]" 1
410 1 57 VAL H 1 111 ILE MG . . 5.000 4.068 3.165 5.863 0.863 6 1 "[ .+ 1]" 1
411 1 62 ALA H 1 111 ILE HB . . 5.000 5.341 4.855 5.842 0.842 2 4 "[*+* .- 1]" 1
412 1 62 ALA H 1 111 ILE MD . . 5.000 3.894 2.208 4.582 . 0 0 "[ . 1]" 1
413 1 62 ALA H 1 111 ILE MG . . 5.000 4.464 3.124 5.207 0.207 4 0 "[ . 1]" 1
414 1 65 CYS H 1 111 ILE MD . . 5.000 3.614 3.217 4.930 . 0 0 "[ . 1]" 1
415 1 66 THR H 1 111 ILE MD . . 5.000 3.262 2.502 4.596 . 0 0 "[ . 1]" 1
416 1 110 ILE HB 1 111 ILE H . . 5.000 3.876 3.805 3.968 . 0 0 "[ . 1]" 1
417 1 110 ILE MG 1 111 ILE H . . 5.000 2.237 1.974 2.456 . 0 0 "[ . 1]" 1
418 1 111 ILE HA 1 112 SER H . . 3.500 2.327 2.226 2.400 . 0 0 "[ . 1]" 1
419 1 111 ILE HB 1 112 SER H . . 5.000 3.716 2.570 4.130 . 0 0 "[ . 1]" 1
420 1 111 ILE MD 1 112 SER H . . 5.000 4.025 3.754 5.102 0.102 6 0 "[ . 1]" 1
421 1 111 ILE MG 1 112 SER H . . 5.000 3.561 2.406 4.137 . 0 0 "[ . 1]" 1
422 1 111 ILE H 1 112 SER H . . 5.000 4.388 4.297 4.479 . 0 0 "[ . 1]" 1
423 1 67 ILE H 1 113 THR MG . . 5.000 4.252 3.759 4.599 . 0 0 "[ . 1]" 1
424 1 112 SER HA 1 113 THR H . . 5.000 2.280 2.102 2.425 . 0 0 "[ . 1]" 1
425 1 113 THR HA 1 114 SER H . . 3.500 2.653 2.297 2.905 . 0 0 "[ . 1]" 1
426 1 113 THR H 1 114 SER H . . 3.500 3.030 2.452 3.642 0.142 6 0 "[ . 1]" 1
427 1 114 SER H 1 115 ASN H . . 5.000 2.973 2.807 3.167 . 0 0 "[ . 1]" 1
428 1 115 ASN H 1 115 ASN HB3 . . 3.500 3.077 2.515 3.407 . 0 0 "[ . 1]" 1
429 1 115 ASN H 1 116 GLY HA2 . . 5.000 5.024 4.715 5.326 0.326 6 0 "[ . 1]" 1
430 1 115 ASN HA 1 116 GLY H . . 5.000 3.430 3.315 3.500 . 0 0 "[ . 1]" 1
431 1 115 ASN H 1 116 GLY H . . 3.500 2.670 2.507 2.852 . 0 0 "[ . 1]" 1
432 1 115 ASN H 1 117 SER H . . 5.000 4.920 4.620 5.040 0.040 2 0 "[ . 1]" 1
433 1 116 GLY HA2 1 117 SER H . . 5.000 2.758 2.624 2.974 . 0 0 "[ . 1]" 1
434 1 116 GLY H 1 117 SER H . . 3.500 3.150 3.049 3.272 . 0 0 "[ . 1]" 1
435 1 117 SER H 1 117 SER HB3 . . 3.500 3.236 2.517 3.605 0.105 5 0 "[ . 1]" 1
436 1 117 SER HA 1 118 LEU H . . 3.000 2.387 2.185 2.608 . 0 0 "[ . 1]" 1
437 1 117 SER HB3 1 118 LEU H . . 3.500 3.146 2.638 3.844 0.344 1 0 "[ . 1]" 1
438 1 117 SER H 1 118 LEU H . . 5.000 4.692 4.566 4.745 . 0 0 "[ . 1]" 1
439 1 118 LEU H 1 118 LEU HG . . 5.000 4.262 3.682 4.531 . 0 0 "[ . 1]" 1
440 1 117 SER HA 1 119 GLU H . . 5.000 4.406 3.976 4.663 . 0 0 "[ . 1]" 1
441 1 118 LEU HA 1 119 GLU H . . 3.500 3.555 3.480 3.604 0.104 8 0 "[ . 1]" 1
442 1 118 LEU MD1 1 119 GLU H . . 5.000 4.128 3.646 4.939 . 0 0 "[ . 1]" 1
443 1 118 LEU H 1 119 GLU H . . 3.000 2.899 2.813 2.950 . 0 0 "[ . 1]" 1
444 1 119 GLU H 1 119 GLU HA . . 3.000 2.866 2.831 2.899 . 0 0 "[ . 1]" 1
445 1 119 GLU H 1 119 GLU HG3 . . 3.500 2.705 2.040 3.561 0.061 3 0 "[ . 1]" 1
446 1 117 SER HA 1 120 GLY H . . 5.000 4.642 4.470 4.938 . 0 0 "[ . 1]" 1
447 1 118 LEU HA 1 120 GLY H . . 5.000 3.887 3.711 4.154 . 0 0 "[ . 1]" 1
448 1 118 LEU H 1 120 GLY H . . 5.000 4.220 4.054 4.478 . 0 0 "[ . 1]" 1
449 1 119 GLU HA 1 120 GLY H . . 3.500 3.480 3.392 3.538 0.038 7 0 "[ . 1]" 1
450 1 119 GLU HG3 1 120 GLY H . . 5.000 4.768 4.367 5.153 0.153 3 0 "[ . 1]" 1
451 1 119 GLU H 1 120 GLY H . . 3.000 2.726 2.622 2.784 . 0 0 "[ . 1]" 1
452 1 120 GLY H 1 120 GLY HA2 . . 3.000 2.971 2.919 2.999 . 0 0 "[ . 1]" 1
453 1 118 LEU HA 1 121 LEU H . . 5.000 3.522 3.297 3.998 . 0 0 "[ . 1]" 1
454 1 118 LEU MD1 1 121 LEU H . . 5.000 4.420 3.947 4.819 . 0 0 "[ . 1]" 1
455 1 118 LEU MD2 1 121 LEU H . . 5.000 4.962 4.597 5.539 0.539 3 1 "[ + . 1]" 1
456 1 119 GLU HA 1 121 LEU H . . 5.000 4.354 3.957 5.081 0.081 3 0 "[ . 1]" 1
457 1 119 GLU H 1 121 LEU H . . 5.000 4.441 4.319 4.562 . 0 0 "[ . 1]" 1
458 1 120 GLY H 1 121 LEU HA . . 5.000 4.312 4.040 4.502 . 0 0 "[ . 1]" 1
459 1 120 GLY HA2 1 121 LEU H . . 3.500 2.990 2.810 3.182 . 0 0 "[ . 1]" 1
460 1 120 GLY H 1 121 LEU H . . 3.000 2.523 2.301 2.743 . 0 0 "[ . 1]" 1
461 1 121 LEU H 1 121 LEU MD2 . . 3.500 3.094 2.126 4.296 0.796 4 1 "[ +. 1]" 1
462 1 121 LEU H 1 121 LEU HG . . 3.500 3.546 3.315 3.768 0.268 5 0 "[ . 1]" 1
463 1 121 LEU HA 1 122 ASP H . . 3.500 3.464 3.426 3.514 0.014 6 0 "[ . 1]" 1
464 1 121 LEU MD2 1 122 ASP H . . 5.000 3.391 2.135 4.362 . 0 0 "[ . 1]" 1
465 1 121 LEU HG 1 122 ASP H . . 5.000 2.830 2.351 5.034 0.034 4 0 "[ . 1]" 1
466 1 121 LEU H 1 122 ASP H . . 3.500 2.754 2.662 2.884 . 0 0 "[ . 1]" 1
467 1 122 ASP H 1 122 ASP HA . . 3.000 2.947 2.849 2.999 . 0 0 "[ . 1]" 1
468 1 122 ASP H 1 122 ASP HB3 . . 4.000 3.021 2.444 3.744 . 0 0 "[ . 1]" 1
469 1 121 LEU H 1 123 ASN H . . 5.000 3.862 3.518 4.336 . 0 0 "[ . 1]" 1
470 1 122 ASP HA 1 123 ASN H . . 3.500 3.435 3.247 3.587 0.087 9 0 "[ . 1]" 1
471 1 122 ASP HB3 1 123 ASN H . . 3.500 3.547 2.665 4.273 0.773 3 4 "[ + *- * 1]" 1
472 1 122 ASP H 1 123 ASN H . . 3.000 2.229 1.828 2.751 . 0 0 "[ . 1]" 1
473 1 123 ASN H 1 123 ASN HA . . 3.000 2.766 2.208 2.992 . 0 0 "[ . 1]" 1
474 1 123 ASN H 1 123 ASN HB3 . . 4.000 3.267 2.657 4.054 0.054 10 0 "[ . 1]" 1
475 1 123 ASN HA 1 124 GLN H . . 3.000 2.442 2.155 3.201 0.201 7 0 "[ . 1]" 1
476 1 123 ASN HB3 1 124 GLN H . . 5.000 3.157 2.028 4.454 . 0 0 "[ . 1]" 1
477 1 123 ASN H 1 124 GLN H . . 5.000 4.184 2.703 4.620 . 0 0 "[ . 1]" 1
478 1 124 GLN H 1 124 GLN HG3 . . 3.500 3.257 2.648 3.885 0.385 3 0 "[ . 1]" 1
479 1 67 ILE H 1 125 GLU HA . . 5.000 3.473 2.620 3.772 . 0 0 "[ . 1]" 1
480 1 113 THR HB 1 125 GLU H . . 5.000 4.682 3.514 5.320 0.320 2 0 "[ . 1]" 1
481 1 113 THR MG 1 125 GLU H . . 5.000 3.630 3.081 4.156 . 0 0 "[ . 1]" 1
482 1 123 ASN HA 1 125 GLU H . . 5.000 4.273 3.344 5.146 0.146 7 0 "[ . 1]" 1
483 1 124 GLN HA 1 125 GLU H . . 5.000 2.801 2.499 3.096 . 0 0 "[ . 1]" 1
484 1 124 GLN HG3 1 125 GLU H . . 5.000 4.969 4.605 5.858 0.858 4 1 "[ +. 1]" 1
485 1 124 GLN H 1 125 GLU H . . 3.500 3.213 2.173 3.779 0.279 9 0 "[ . 1]" 1
486 1 125 GLU H 1 125 GLU HA . . 3.000 2.971 2.938 3.006 0.006 7 0 "[ . 1]" 1
487 1 125 GLU H 1 125 GLU HB3 . . 3.000 3.895 3.722 3.965 0.965 2 10 [*+****-***] 1
488 1 125 GLU H 1 125 GLU HG3 . . 3.000 3.219 2.961 3.491 0.491 4 0 "[ . 1]" 1
489 1 65 CYS HA 1 126 GLY H . . 5.000 4.724 4.032 5.180 0.180 4 0 "[ . 1]" 1
490 1 65 CYS HB3 1 126 GLY H . . 5.000 3.363 2.586 4.535 . 0 0 "[ . 1]" 1
491 1 66 THR HA 1 126 GLY H . . 5.000 3.217 2.362 3.924 . 0 0 "[ . 1]" 1
492 1 66 THR MG 1 126 GLY H . . 5.000 2.972 2.546 3.294 . 0 0 "[ . 1]" 1
493 1 113 THR MG 1 126 GLY H . . 5.000 3.919 3.242 5.062 0.062 3 0 "[ . 1]" 1
494 1 125 GLU H 1 126 GLY HA2 . . 5.000 5.637 4.952 5.976 0.976 4 7 "[ **+-* * *]" 1
495 1 125 GLU HA 1 126 GLY H . . 3.000 2.223 2.079 2.388 . 0 0 "[ . 1]" 1
496 1 125 GLU H 1 126 GLY H . . 5.000 4.348 4.112 4.528 . 0 0 "[ . 1]" 1
497 1 113 THR HA 1 127 GLY H . . 5.000 4.462 2.684 5.513 0.513 6 1 "[ .+ 1]" 1
498 1 115 ASN HB3 1 127 GLY H . . 5.000 4.632 2.273 5.709 0.709 6 1 "[ .+ 1]" 1
499 1 126 GLY HA2 1 127 GLY H . . 5.000 2.697 2.120 3.545 . 0 0 "[ . 1]" 1
500 1 126 GLY H 1 127 GLY H . . 5.000 3.989 2.648 4.638 . 0 0 "[ . 1]" 1
501 1 112 SER H 1 128 VAL QG . . 5.000 4.028 3.440 4.663 . 0 0 "[ . 1]" 1
502 1 113 THR HA 1 128 VAL H . . 5.000 2.681 1.919 3.473 . 0 0 "[ . 1]" 1
503 1 114 SER H 1 128 VAL QG . . 5.000 2.216 1.620 2.616 . 0 0 "[ . 1]" 1
504 1 114 SER H 1 128 VAL H . . 5.000 3.678 2.601 4.770 . 0 0 "[ . 1]" 1
505 1 115 ASN HB3 1 128 VAL H . . 5.000 3.991 2.926 5.835 0.835 6 1 "[ .+ 1]" 1
506 1 127 GLY H 1 128 VAL H . . 5.000 3.779 1.970 4.719 . 0 0 "[ . 1]" 1
507 1 128 VAL H 1 128 VAL QG . . 3.500 2.045 1.842 2.966 . 0 0 "[ . 1]" 1
508 1 65 CYS HA 1 129 CYS H . . 5.000 5.255 4.883 5.534 0.534 4 1 "[ +. 1]" 1
509 1 112 SER H 1 129 CYS HA . . 5.000 5.112 4.502 5.513 0.513 3 1 "[ + . 1]" 1
510 1 112 SER H 1 129 CYS H . . 5.000 4.798 4.375 5.268 0.268 9 0 "[ . 1]" 1
511 1 113 THR HA 1 129 CYS H . . 3.500 3.606 3.193 4.111 0.611 9 1 "[ . +1]" 1
512 1 113 THR MG 1 129 CYS H . . 5.000 3.948 3.113 4.586 . 0 0 "[ . 1]" 1
513 1 128 VAL H 1 129 CYS HB3 . . 5.000 4.883 4.379 5.578 0.578 6 2 "[ - .+ 1]" 1
514 1 128 VAL HA 1 129 CYS H . . 5.000 3.547 3.443 3.623 . 0 0 "[ . 1]" 1
515 1 128 VAL HB 1 129 CYS H . . 5.000 3.904 3.164 4.330 . 0 0 "[ . 1]" 1
516 1 128 VAL QG 1 129 CYS H . . 5.000 2.494 2.229 2.836 . 0 0 "[ . 1]" 1
517 1 128 VAL H 1 129 CYS H . . 5.000 2.700 2.529 2.887 . 0 0 "[ . 1]" 1
518 1 129 CYS H 1 129 CYS HB3 . . 3.500 2.427 2.168 2.796 . 0 0 "[ . 1]" 1
519 1 128 VAL HA 1 130 GLN H . . 5.000 3.672 3.392 3.992 . 0 0 "[ . 1]" 1
520 1 128 VAL H 1 130 GLN H . . 5.000 4.311 3.824 4.612 . 0 0 "[ . 1]" 1
521 1 129 CYS HA 1 130 GLN H . . 5.000 3.491 3.432 3.566 . 0 0 "[ . 1]" 1
522 1 129 CYS HB3 1 130 GLN H . . 5.000 3.722 2.807 4.520 . 0 0 "[ . 1]" 1
523 1 129 CYS H 1 130 GLN H . . 3.500 2.910 2.729 3.042 . 0 0 "[ . 1]" 1
524 1 128 VAL HA 1 131 THR H . . 3.500 3.503 3.147 3.869 0.369 8 0 "[ . 1]" 1
525 1 128 VAL HB 1 131 THR H . . 5.000 4.957 4.214 5.673 0.673 1 1 "[+ . 1]" 1
526 1 129 CYS HA 1 131 THR H . . 5.000 4.166 3.829 4.574 . 0 0 "[ . 1]" 1
527 1 129 CYS H 1 131 THR H . . 5.000 4.639 4.330 4.783 . 0 0 "[ . 1]" 1
528 1 130 GLN HA 1 131 THR H . . 5.000 3.544 3.512 3.593 . 0 0 "[ . 1]" 1
529 1 130 GLN H 1 131 THR H . . 3.000 2.743 2.485 3.000 . 0 0 "[ . 1]" 1
530 1 128 VAL HA 1 132 ARG H . . 5.000 3.463 2.629 4.399 . 0 0 "[ . 1]" 1
531 1 128 VAL HB 1 132 ARG H . . 5.000 4.110 2.984 5.317 0.317 1 0 "[ . 1]" 1
532 1 128 VAL QG 1 132 ARG H . . 5.000 4.067 3.153 4.877 . 0 0 "[ . 1]" 1
533 1 130 GLN H 1 132 ARG H . . 5.000 4.450 3.898 4.754 . 0 0 "[ . 1]" 1
534 1 131 THR H 1 132 ARG H . . 3.500 2.243 2.099 2.583 . 0 0 "[ . 1]" 1
535 1 132 ARG H 1 132 ARG HB3 . . 3.500 3.230 2.211 3.669 0.169 4 0 "[ . 1]" 1
536 1 23 GLY H 1 133 ALA MB . . 5.000 4.329 3.223 5.062 0.062 5 0 "[ . 1]" 1
537 1 128 VAL HA 1 133 ALA H . . 5.000 4.516 3.921 5.062 0.062 4 0 "[ . 1]" 1
538 1 130 GLN HA 1 133 ALA H . . 5.000 5.227 5.050 5.371 0.371 2 0 "[ . 1]" 1
539 1 130 GLN H 1 133 ALA H . . 5.000 4.341 4.179 4.450 . 0 0 "[ . 1]" 1
540 1 131 THR H 1 133 ALA H . . 5.000 2.952 2.648 3.592 . 0 0 "[ . 1]" 1
541 1 132 ARG HA 1 133 ALA H . . 3.500 3.484 3.441 3.525 0.025 3 0 "[ . 1]" 1
542 1 132 ARG H 1 133 ALA H . . 3.000 2.452 1.773 2.684 . 0 0 "[ . 1]" 1
543 1 133 ALA H 1 133 ALA HA . . 3.000 2.258 2.209 2.293 . 0 0 "[ . 1]" 1
544 1 133 ALA H 1 133 ALA MB . . 3.500 2.865 2.737 3.002 . 0 0 "[ . 1]" 1
545 1 133 ALA H 1 134 MET HB3 . . 5.000 5.336 4.857 5.622 0.622 4 3 "[* +. - 1]" 1
546 1 133 ALA HA 1 134 MET H . . 3.000 2.466 2.132 2.862 . 0 0 "[ . 1]" 1
547 1 133 ALA MB 1 134 MET H . . 5.000 3.742 3.547 3.852 . 0 0 "[ . 1]" 1
548 1 133 ALA H 1 134 MET H . . 3.500 3.034 2.834 3.249 . 0 0 "[ . 1]" 1
549 1 134 MET H 1 134 MET HB3 . . 3.500 2.697 2.584 2.850 . 0 0 "[ . 1]" 1
550 1 134 MET H 1 134 MET HG3 . . 5.000 4.506 4.369 4.660 . 0 0 "[ . 1]" 1
551 1 134 MET H 1 135 LYS HD3 . . 5.000 3.971 2.749 4.887 . 0 0 "[ . 1]" 1
552 1 134 MET HA 1 135 LYS H . . 3.000 2.264 2.142 2.487 . 0 0 "[ . 1]" 1
553 1 134 MET HG3 1 135 LYS H . . 5.000 3.931 3.645 4.309 . 0 0 "[ . 1]" 1
554 1 134 MET H 1 135 LYS H . . 5.000 3.805 3.336 4.119 . 0 0 "[ . 1]" 1
555 1 135 LYS H 1 135 LYS HD3 . . 5.000 3.264 2.572 4.401 . 0 0 "[ . 1]" 1
556 1 110 ILE MG 1 136 ILE H . . 5.000 3.825 3.078 4.466 . 0 0 "[ . 1]" 1
557 1 135 LYS H 1 136 ILE MG . . 5.000 4.358 3.998 4.832 . 0 0 "[ . 1]" 1
558 1 135 LYS HA 1 136 ILE H . . 3.500 2.394 2.292 2.483 . 0 0 "[ . 1]" 1
559 1 135 LYS H 1 136 ILE H . . 5.000 4.416 4.381 4.465 . 0 0 "[ . 1]" 1
560 1 136 ILE H 1 136 ILE MD . . 5.000 4.328 3.955 4.577 . 0 0 "[ . 1]" 1
561 1 24 LEU H 1 137 LEU H . . 5.000 4.444 4.125 4.924 . 0 0 "[ . 1]" 1
562 1 108 TYR H 1 137 LEU HA . . 5.000 4.757 4.476 4.948 . 0 0 "[ . 1]" 1
563 1 108 TYR H 1 137 LEU QD . . 5.000 4.036 3.523 4.720 . 0 0 "[ . 1]" 1
564 1 136 ILE HA 1 137 LEU H . . 3.500 2.207 2.090 2.309 . 0 0 "[ . 1]" 1
565 1 136 ILE HB 1 137 LEU H . . 5.000 2.890 2.457 3.647 . 0 0 "[ . 1]" 1
566 1 136 ILE H 1 137 LEU H . . 5.000 4.378 4.259 4.480 . 0 0 "[ . 1]" 1
567 1 137 LEU H 1 137 LEU QD . . 5.000 3.799 3.264 3.915 . 0 0 "[ . 1]" 1
568 1 137 LEU H 1 137 LEU HG . . 3.500 3.744 3.313 3.866 0.366 3 0 "[ . 1]" 1
569 1 107 ASP HA 1 138 MET H . . 5.000 4.673 4.354 4.902 . 0 0 "[ . 1]" 1
570 1 107 ASP HB3 1 138 MET H . . 5.000 5.459 4.745 6.369 1.369 1 4 "[+ - . * *]" 1
571 1 108 TYR H 1 138 MET HB3 . . 5.000 3.476 2.431 4.675 . 0 0 "[ . 1]" 1
572 1 108 TYR HA 1 138 MET H . . 5.000 4.907 4.637 5.160 0.160 3 0 "[ . 1]" 1
573 1 108 TYR HB3 1 138 MET H . . 5.000 3.946 3.061 4.718 . 0 0 "[ . 1]" 1
574 1 108 TYR H 1 138 MET H . . 5.000 3.080 2.760 3.229 . 0 0 "[ . 1]" 1
575 1 136 ILE MD 1 138 MET H . . 5.000 3.541 2.967 4.737 . 0 0 "[ . 1]" 1
576 1 137 LEU HA 1 138 MET H . . 3.000 2.094 2.022 2.142 . 0 0 "[ . 1]" 1
577 1 137 LEU HB3 1 138 MET H . . 5.000 4.130 3.055 4.628 . 0 0 "[ . 1]" 1
578 1 137 LEU QD 1 138 MET H . . 5.000 2.676 2.349 3.474 . 0 0 "[ . 1]" 1
579 1 137 LEU HG 1 138 MET H . . 5.000 4.229 3.821 5.305 0.305 9 0 "[ . 1]" 1
580 1 137 LEU H 1 138 MET H . . 5.000 4.286 4.161 4.388 . 0 0 "[ . 1]" 1
581 1 26 LEU H 1 139 LYS H . . 5.000 4.653 3.996 5.061 0.061 6 0 "[ . 1]" 1
582 1 138 MET HA 1 139 LYS H . . 3.500 2.159 2.056 2.255 . 0 0 "[ . 1]" 1
583 1 138 MET HB3 1 139 LYS H . . 5.000 3.927 3.534 4.449 . 0 0 "[ . 1]" 1
584 1 138 MET H 1 139 LYS H . . 5.000 4.125 3.814 4.454 . 0 0 "[ . 1]" 1
585 1 106 LYS H 1 140 VAL HB . . 5.000 4.465 3.196 5.341 0.341 1 0 "[ . 1]" 1
586 1 106 LYS H 1 140 VAL MG2 . . 5.000 4.016 2.641 5.048 0.048 6 0 "[ . 1]" 1
587 1 140 VAL HA 1 141 GLY H . . 3.500 2.531 2.082 3.517 0.017 10 0 "[ . 1]" 1
588 1 140 VAL HB 1 141 GLY H . . 5.000 3.764 2.757 4.527 . 0 0 "[ . 1]" 1
589 1 140 VAL MG2 1 141 GLY H . . 5.000 3.831 2.485 4.427 . 0 0 "[ . 1]" 1
590 1 105 ASN H 1 142 GLN H . . 5.000 4.545 3.880 5.061 0.061 5 0 "[ . 1]" 1
591 1 141 GLY H 1 142 GLN H . . 3.500 3.143 2.725 3.719 0.219 1 0 "[ . 1]" 1
592 1 2 LYS HA 1 2 LYS HB3 . . 3.000 2.974 2.926 3.017 0.017 1 0 "[ . 1]" 1
593 1 3 SER HA 1 4 ILE MG . . 5.000 4.763 4.631 5.096 0.096 9 0 "[ . 1]" 1
594 1 4 ILE HA 1 4 ILE HB . . 3.000 2.685 2.453 2.887 . 0 0 "[ . 1]" 1
595 1 4 ILE HA 1 4 ILE MD . . 3.500 3.555 3.287 3.851 0.351 1 0 "[ . 1]" 1
596 1 4 ILE HA 1 4 ILE HG13 . . 3.500 4.252 4.203 4.285 0.785 8 10 [*******+-*] 1
597 1 4 ILE HA 1 4 ILE MG . . 3.000 2.173 2.137 2.270 . 0 0 "[ . 1]" 1
598 1 4 ILE HG13 1 5 VAL HA . . 5.000 5.473 5.071 5.896 0.896 9 4 "[ *- *+1]" 1
599 1 4 ILE HA 1 5 VAL QG . . 5.000 3.871 2.991 4.535 . 0 0 "[ . 1]" 1
600 1 5 VAL HA 1 5 VAL QG . . 3.000 2.133 2.087 2.180 . 0 0 "[ . 1]" 1
601 1 6 LEU HA 1 6 LEU MD2 . . 3.000 2.600 2.116 3.688 0.688 9 1 "[ . +1]" 1
602 1 9 ILE HA 1 9 ILE MD . . 3.500 2.634 2.277 3.706 0.206 6 0 "[ . 1]" 1
603 1 17 LYS HA 1 17 LYS HB3 . . 3.000 2.809 2.525 3.029 0.029 5 0 "[ . 1]" 1
604 1 22 GLN HA 1 22 GLN HG3 . . 3.500 3.042 2.538 3.487 . 0 0 "[ . 1]" 1
605 1 24 LEU HA 1 24 LEU QD . . 4.000 2.522 2.266 3.163 . 0 0 "[ . 1]" 1
606 1 24 LEU QD 1 25 VAL HB . . 5.000 4.483 3.783 5.118 0.118 3 0 "[ . 1]" 1
607 1 24 LEU HG 1 25 VAL HB . . 5.000 5.066 3.943 5.410 0.410 7 0 "[ . 1]" 1
608 1 24 LEU QD 1 26 LEU QD . . 3.500 2.001 1.765 2.383 . 0 0 "[ . 1]" 1
609 1 25 VAL HB 1 26 LEU QD . . 5.000 4.798 4.344 5.058 0.058 10 0 "[ . 1]" 1
610 1 26 LEU HA 1 26 LEU QD . . 3.000 1.977 1.915 2.039 . 0 0 "[ . 1]" 1
611 1 26 LEU HA 1 27 TYR HB3 . . 5.000 5.286 4.599 5.683 0.683 2 3 "[-+ *. 1]" 1
612 1 30 ILE HA 1 30 ILE MD . . 3.500 2.199 2.110 2.312 . 0 0 "[ . 1]" 1
613 1 30 ILE MD 1 30 ILE MG . . 3.500 2.157 2.112 2.267 . 0 0 "[ . 1]" 1
614 1 4 ILE HB 1 32 ASP HA . . 5.000 4.635 4.255 4.923 . 0 0 "[ . 1]" 1
615 1 4 ILE MD 1 32 ASP HB3 . . 5.000 3.613 2.304 4.668 . 0 0 "[ . 1]" 1
616 1 4 ILE HG13 1 32 ASP HB3 . . 5.000 3.512 2.396 5.468 0.468 1 0 "[ . 1]" 1
617 1 5 VAL HA 1 33 LYS HB3 . . 5.000 4.972 4.485 5.447 0.447 9 0 "[ . 1]" 1
618 1 5 VAL QG 1 33 LYS HB3 . . 5.000 4.162 3.285 5.007 0.007 10 0 "[ . 1]" 1
619 1 34 LEU HA 1 34 LEU QD . . 3.500 3.122 2.299 3.339 . 0 0 "[ . 1]" 1
620 1 9 ILE MG 1 36 ILE HA . . 5.000 3.783 3.542 4.717 . 0 0 "[ . 1]" 1
621 1 9 ILE HB 1 36 ILE MG . . 5.000 4.406 3.678 4.739 . 0 0 "[ . 1]" 1
622 1 9 ILE MG 1 36 ILE MG . . 5.000 4.773 4.009 5.075 0.075 4 0 "[ . 1]" 1
623 1 35 ASP HA 1 36 ILE MG . . 5.000 3.876 3.332 4.913 . 0 0 "[ . 1]" 1
624 1 35 ASP HB3 1 37 ILE MD . . 3.500 3.917 2.457 4.955 1.455 7 6 "[- **+* *]" 1
625 1 36 ILE MG 1 37 ILE HA . . 5.000 4.325 3.531 4.848 . 0 0 "[ . 1]" 1
626 1 41 VAL HA 1 41 VAL HB . . 3.000 2.774 2.287 3.057 0.057 3 0 "[ . 1]" 1
627 1 41 VAL HA 1 41 VAL QG . . 3.000 2.225 2.077 2.517 . 0 0 "[ . 1]" 1
628 1 42 ASP HA 1 42 ASP HB3 . . 3.000 2.712 2.294 2.874 . 0 0 "[ . 1]" 1
629 1 43 SER HA 1 43 SER HB3 . . 3.000 2.823 2.472 3.052 0.052 1 0 "[ . 1]" 1
630 1 44 LYS HA 1 44 LYS HB3 . . 3.000 2.530 2.373 3.052 0.052 9 0 "[ . 1]" 1
631 1 45 THR HA 1 46 VAL MG2 . . 5.000 5.091 3.681 5.823 0.823 6 4 "[ - .+ **1]" 1
632 1 46 VAL HA 1 46 VAL HB . . 3.000 2.661 2.385 2.805 . 0 0 "[ . 1]" 1
633 1 46 VAL HA 1 46 VAL MG2 . . 3.000 2.499 2.137 3.272 0.272 4 0 "[ . 1]" 1
634 1 46 VAL MG2 1 47 GLY HA2 . . 5.000 5.163 4.471 5.753 0.753 8 2 "[ - + 1]" 1
635 1 41 VAL QG 1 48 GLN HA . . 5.000 3.516 1.981 5.320 0.320 2 0 "[ . 1]" 1
636 1 48 GLN HA 1 48 GLN HB3 . . 3.000 2.489 2.324 2.665 . 0 0 "[ . 1]" 1
637 1 41 VAL QG 1 49 TYR HA . . 5.000 3.855 2.378 5.168 0.168 8 0 "[ . 1]" 1
638 1 41 VAL QG 1 49 TYR HB3 . . 5.000 3.604 2.172 4.723 . 0 0 "[ . 1]" 1
639 1 60 ASP HA 1 60 ASP HB3 . . 3.000 3.034 3.005 3.044 0.044 5 0 "[ . 1]" 1
640 1 60 ASP HA 1 63 ASP HB3 . . 5.000 3.457 3.017 3.982 . 0 0 "[ . 1]" 1
641 1 57 VAL HB 1 67 ILE HA . . 5.000 4.039 3.069 4.778 . 0 0 "[ . 1]" 1
642 1 57 VAL QG 1 67 ILE HA . . 5.000 2.319 1.902 2.951 . 0 0 "[ . 1]" 1
643 1 57 VAL QG 1 67 ILE HB . . 5.000 4.419 3.815 5.249 0.249 4 0 "[ . 1]" 1
644 1 57 VAL QG 1 67 ILE MD . . 5.000 2.912 2.079 3.374 . 0 0 "[ . 1]" 1
645 1 57 VAL HB 1 67 ILE MG . . 5.000 4.214 3.221 5.578 0.578 5 1 "[ + 1]" 1
646 1 57 VAL QG 1 67 ILE MG . . 3.500 2.640 1.869 3.741 0.241 4 0 "[ . 1]" 1
647 1 67 ILE HA 1 67 ILE MD . . 3.500 2.728 2.371 3.723 0.223 10 0 "[ . 1]" 1
648 1 67 ILE HB 1 67 ILE MD . . 3.500 3.142 2.674 3.300 . 0 0 "[ . 1]" 1
649 1 67 ILE HA 1 67 ILE MG . . 3.500 2.355 2.230 2.479 . 0 0 "[ . 1]" 1
650 1 67 ILE MD 1 67 ILE MG . . 3.500 2.080 2.010 2.152 . 0 0 "[ . 1]" 1
651 1 70 GLU HA 1 70 GLU HG3 . . 3.500 3.431 3.289 4.021 0.521 4 1 "[ +. 1]" 1
652 1 54 VAL MG1 1 74 LEU MD1 . . 5.000 4.344 2.446 5.691 0.691 5 1 "[ + 1]" 1
653 1 36 ILE HA 1 75 LEU QD . . 5.000 4.856 4.603 5.081 0.081 5 0 "[ . 1]" 1
654 1 36 ILE HB 1 75 LEU QD . . 5.000 3.585 2.319 4.116 . 0 0 "[ . 1]" 1
655 1 36 ILE MG 1 75 LEU QD . . 5.000 2.159 1.878 3.023 . 0 0 "[ . 1]" 1
656 1 54 VAL HB 1 75 LEU HB3 . . 5.000 2.346 2.072 2.668 . 0 0 "[ . 1]" 1
657 1 54 VAL MG2 1 75 LEU HB3 . . 5.000 3.356 2.385 4.078 . 0 0 "[ . 1]" 1
658 1 54 VAL HB 1 75 LEU QD . . 5.000 3.374 2.150 3.901 . 0 0 "[ . 1]" 1
659 1 54 VAL MG2 1 75 LEU QD . . 5.000 3.280 2.105 4.346 . 0 0 "[ . 1]" 1
660 1 74 LEU HA 1 75 LEU HA . . 5.000 4.528 4.339 4.701 . 0 0 "[ . 1]" 1
661 1 74 LEU MD1 1 75 LEU QD . . 5.000 3.928 2.928 5.903 0.903 5 1 "[ + 1]" 1
662 1 75 LEU HB3 1 75 LEU QD . . 3.000 2.216 2.097 2.370 . 0 0 "[ . 1]" 1
663 1 75 LEU MD1 1 75 LEU MD2 . . 3.000 2.072 2.027 2.124 . 0 0 "[ . 1]" 1
664 1 75 LEU HA 1 75 LEU HG . . 3.500 3.376 2.530 3.720 0.220 2 0 "[ . 1]" 1
665 1 75 LEU QD 1 76 ASN HB3 . . 5.000 4.699 4.186 5.035 0.035 4 0 "[ . 1]" 1
666 1 75 LEU QD 1 84 ILE HB . . 5.000 4.196 3.588 4.872 . 0 0 "[ . 1]" 1
667 1 75 LEU QD 1 84 ILE MG . . 3.500 2.241 1.859 2.745 . 0 0 "[ . 1]" 1
668 1 84 ILE HB 1 84 ILE MD . . 3.500 2.391 2.313 2.527 . 0 0 "[ . 1]" 1
669 1 84 ILE HA 1 84 ILE MG . . 3.500 3.099 2.921 3.219 . 0 0 "[ . 1]" 1
670 1 84 ILE MD 1 84 ILE MG . . 3.500 3.258 3.214 3.287 . 0 0 "[ . 1]" 1
671 1 37 ILE HA 1 85 LYS HA . . 5.000 2.485 2.243 2.712 . 0 0 "[ . 1]" 1
672 1 37 ILE MD 1 85 LYS HA . . 5.000 4.623 4.286 4.936 . 0 0 "[ . 1]" 1
673 1 37 ILE HG13 1 85 LYS HA . . 3.500 3.396 2.670 4.585 1.085 8 1 "[ . + 1]" 1
674 1 35 ASP HA 1 87 THR HA . . 5.000 2.222 2.102 2.376 . 0 0 "[ . 1]" 1
675 1 88 ILE MD 1 88 ILE MG . . 3.500 2.311 2.053 3.254 . 0 0 "[ . 1]" 1
676 1 33 LYS HA 1 89 LYS HA . . 3.500 2.654 2.046 3.232 . 0 0 "[ . 1]" 1
677 1 33 LYS HB3 1 89 LYS HA . . 3.500 2.380 2.021 3.313 . 0 0 "[ . 1]" 1
678 1 33 LYS HG3 1 89 LYS HA . . 5.000 4.671 3.808 5.018 0.018 7 0 "[ . 1]" 1
679 1 88 ILE MG 1 90 PHE HA . . 5.000 4.069 3.816 4.447 . 0 0 "[ . 1]" 1
680 1 30 ILE MD 1 91 GLN HA . . 5.000 4.044 3.019 4.617 . 0 0 "[ . 1]" 1
681 1 30 ILE MG 1 91 GLN HA . . 3.500 3.452 2.823 3.914 0.414 6 0 "[ . 1]" 1
682 1 96 ASN HA 1 96 ASN HB3 . . 3.000 2.981 2.698 3.047 0.047 1 0 "[ . 1]" 1
683 1 97 LEU HA 1 97 LEU HB3 . . 3.000 2.937 2.714 3.038 0.038 5 0 "[ . 1]" 1
684 1 97 LEU HA 1 97 LEU MD1 . . 3.000 2.770 2.117 3.680 0.680 6 2 "[ .+ -]" 1
685 1 97 LEU HA 1 97 LEU MD2 . . 3.500 2.584 2.104 3.558 0.058 7 0 "[ . 1]" 1
686 1 97 LEU HB3 1 97 LEU MD2 . . 3.500 2.835 2.204 3.271 . 0 0 "[ . 1]" 1
687 1 97 LEU HA 1 98 TRP HA . . 5.000 4.516 4.374 4.752 . 0 0 "[ . 1]" 1
688 1 97 LEU HB3 1 98 TRP HA . . 5.000 4.840 4.553 5.084 0.084 1 0 "[ . 1]" 1
689 1 88 ILE HA 1 100 LEU QD . . 5.000 3.261 2.490 4.541 . 0 0 "[ . 1]" 1
690 1 88 ILE MG 1 100 LEU QD . . 5.000 3.454 2.553 4.162 . 0 0 "[ . 1]" 1
691 1 100 LEU HA 1 100 LEU QD . . 3.000 2.390 2.103 3.400 0.400 5 0 "[ . 1]" 1
692 1 93 PHE HA 1 101 GLU HG3 . . 5.000 3.133 2.529 3.906 . 0 0 "[ . 1]" 1
693 1 100 LEU HB3 1 101 GLU HA . . 5.000 4.980 4.610 5.961 0.961 5 1 "[ + 1]" 1
694 1 101 GLU HA 1 101 GLU HG3 . . 3.500 3.093 2.359 3.612 0.112 5 0 "[ . 1]" 1
695 1 103 GLN HB3 1 104 LYS HA . . 5.000 4.924 4.679 5.175 0.175 6 0 "[ . 1]" 1
696 1 106 LYS HA 1 106 LYS HG3 . . 3.500 3.090 2.265 3.626 0.126 4 0 "[ . 1]" 1
697 1 54 VAL MG1 1 110 ILE MD . . 5.000 3.446 2.166 4.482 . 0 0 "[ . 1]" 1
698 1 54 VAL MG2 1 110 ILE MD . . 5.000 4.862 3.287 5.346 0.346 6 0 "[ . 1]" 1
699 1 54 VAL MG1 1 110 ILE HG13 . . 5.000 4.463 2.526 5.361 0.361 8 0 "[ . 1]" 1
700 1 54 VAL MG1 1 110 ILE MG . . 3.500 1.957 1.803 2.354 . 0 0 "[ . 1]" 1
701 1 54 VAL MG2 1 110 ILE MG . . 5.000 2.962 1.918 3.991 . 0 0 "[ . 1]" 1
702 1 110 ILE MD 1 110 ILE MG . . 3.500 2.397 1.990 3.302 . 0 0 "[ . 1]" 1
703 1 57 VAL HB 1 111 ILE MD . . 5.000 4.037 2.177 4.687 . 0 0 "[ . 1]" 1
704 1 57 VAL QG 1 111 ILE MG . . 5.000 2.082 1.830 3.199 . 0 0 "[ . 1]" 1
705 1 61 GLN HB3 1 111 ILE MD . . 5.000 4.092 2.709 5.022 0.022 7 0 "[ . 1]" 1
706 1 62 ALA HA 1 111 ILE MD . . 5.000 2.198 1.949 2.781 . 0 0 "[ . 1]" 1
707 1 62 ALA MB 1 111 ILE MD . . 5.000 3.011 2.035 3.533 . 0 0 "[ . 1]" 1
708 1 62 ALA HA 1 111 ILE MG . . 5.000 3.256 2.175 4.905 . 0 0 "[ . 1]" 1
709 1 65 CYS HA 1 111 ILE MD . . 5.000 2.415 1.926 4.290 . 0 0 "[ . 1]" 1
710 1 65 CYS HA 1 111 ILE MG . . 5.000 4.442 3.373 5.017 0.017 3 0 "[ . 1]" 1
711 1 67 ILE HA 1 111 ILE MD . . 5.000 4.158 3.391 5.194 0.194 3 0 "[ . 1]" 1
712 1 67 ILE MD 1 111 ILE MD . . 5.000 2.783 1.946 4.042 . 0 0 "[ . 1]" 1
713 1 67 ILE MG 1 111 ILE MD . . 5.000 4.554 4.052 5.417 0.417 3 0 "[ . 1]" 1
714 1 67 ILE MD 1 111 ILE MG . . 5.000 2.376 1.808 4.008 . 0 0 "[ . 1]" 1
715 1 67 ILE MG 1 111 ILE MG . . 5.000 3.584 2.638 5.293 0.293 1 0 "[ . 1]" 1
716 1 110 ILE HA 1 111 ILE HA . . 5.000 4.543 4.494 4.612 . 0 0 "[ . 1]" 1
717 1 110 ILE MG 1 111 ILE HA . . 5.000 3.463 3.137 3.818 . 0 0 "[ . 1]" 1
718 1 111 ILE MD 1 111 ILE MG . . 3.500 2.053 1.971 2.186 . 0 0 "[ . 1]" 1
719 1 54 VAL MG2 1 112 SER HA . . 5.000 4.136 3.245 4.740 . 0 0 "[ . 1]" 1
720 1 67 ILE HG13 1 112 SER HA . . 5.000 5.094 4.285 5.490 0.490 8 0 "[ . 1]" 1
721 1 118 LEU HA 1 118 LEU MD2 . . 3.000 2.320 2.100 2.911 . 0 0 "[ . 1]" 1
722 1 118 LEU MD1 1 118 LEU MD2 . . 3.000 2.075 2.057 2.112 . 0 0 "[ . 1]" 1
723 1 119 GLU HA 1 119 GLU HG3 . . 4.000 3.500 3.135 3.829 . 0 0 "[ . 1]" 1
724 1 118 LEU HA 1 121 LEU MD2 . . 5.000 3.447 2.590 4.195 . 0 0 "[ . 1]" 1
725 1 118 LEU MD2 1 121 LEU MD2 . . 5.000 3.465 2.173 4.133 . 0 0 "[ . 1]" 1
726 1 118 LEU HA 1 121 LEU MD1 . . 5.000 4.295 2.458 4.911 . 0 0 "[ . 1]" 1
727 1 118 LEU MD1 1 121 LEU MD1 . . 5.000 3.672 2.247 5.071 0.071 1 0 "[ . 1]" 1
728 1 118 LEU MD2 1 121 LEU MD1 . . 5.000 3.765 2.097 5.030 0.030 3 0 "[ . 1]" 1
729 1 67 ILE HB 1 124 GLN HA . . 5.000 3.355 2.351 4.014 . 0 0 "[ . 1]" 1
730 1 67 ILE MD 1 124 GLN HA . . 5.000 4.293 3.182 4.700 . 0 0 "[ . 1]" 1
731 1 67 ILE HG13 1 124 GLN HA . . 3.000 3.253 2.460 4.036 1.036 6 2 "[- .+ 1]" 1
732 1 67 ILE MG 1 124 GLN HA . . 5.000 4.412 3.847 4.881 . 0 0 "[ . 1]" 1
733 1 66 THR HA 1 125 GLU HA . . 3.500 2.321 2.209 2.569 . 0 0 "[ . 1]" 1
734 1 66 THR HB 1 125 GLU HA . . 5.000 3.816 3.230 4.422 . 0 0 "[ . 1]" 1
735 1 66 THR MG 1 125 GLU HA . . 5.000 2.449 2.012 3.774 . 0 0 "[ . 1]" 1
736 1 66 THR MG 1 125 GLU HB3 . . 5.000 2.879 2.230 3.825 . 0 0 "[ . 1]" 1
737 1 66 THR HA 1 125 GLU HG3 . . 5.000 4.647 4.143 5.152 0.152 5 0 "[ . 1]" 1
738 1 66 THR HB 1 125 GLU HG3 . . 5.000 4.668 3.857 5.238 0.238 7 0 "[ . 1]" 1
739 1 66 THR MG 1 125 GLU HG3 . . 5.000 3.872 3.536 4.925 . 0 0 "[ . 1]" 1
740 1 125 GLU HB3 1 125 GLU HG3 . . 3.000 3.042 2.998 3.054 0.054 8 0 "[ . 1]" 1
741 1 128 VAL QG 1 132 ARG HB3 . . 5.000 3.054 2.409 3.696 . 0 0 "[ . 1]" 1
742 1 21 GLY HA2 1 133 ALA MB . . 5.000 4.018 3.435 5.196 0.196 10 0 "[ . 1]" 1
743 1 22 GLN HA 1 133 ALA MB . . 5.000 2.447 1.982 3.053 . 0 0 "[ . 1]" 1
744 1 22 GLN HG3 1 133 ALA MB . . 5.000 4.560 3.626 5.028 0.028 5 0 "[ . 1]" 1
745 1 128 VAL QG 1 134 MET HB3 . . 5.000 2.164 1.959 2.764 . 0 0 "[ . 1]" 1
746 1 128 VAL QG 1 134 MET HG3 . . 5.000 4.151 3.800 5.007 0.007 3 0 "[ . 1]" 1
747 1 133 ALA MB 1 134 MET HA . . 5.000 4.467 4.342 4.605 . 0 0 "[ . 1]" 1
748 1 110 ILE MD 1 136 ILE HB . . 5.000 4.551 4.269 4.762 . 0 0 "[ . 1]" 1
749 1 110 ILE MG 1 136 ILE HB . . 5.000 4.979 4.655 5.281 0.281 6 0 "[ . 1]" 1
750 1 110 ILE HB 1 136 ILE MD . . 5.000 3.545 3.111 3.714 . 0 0 "[ . 1]" 1
751 1 110 ILE MD 1 136 ILE MD . . 3.500 2.635 2.064 3.168 . 0 0 "[ . 1]" 1
752 1 110 ILE MG 1 136 ILE MD . . 5.000 4.088 3.366 4.601 . 0 0 "[ . 1]" 1
753 1 110 ILE MG 1 136 ILE MG . . 5.000 2.730 2.202 3.073 . 0 0 "[ . 1]" 1
754 1 107 ASP HA 1 139 LYS HA . . 5.000 3.477 2.139 4.894 . 0 0 "[ . 1]" 1
755 1 107 ASP HA 1 137 LEU QD . . 5.000 4.452 4.023 4.746 . 0 0 "[ . 1]" 1
756 1 107 ASP HB3 1 137 LEU QD . . 5.000 4.070 3.435 5.137 0.137 1 0 "[ . 1]" 1
757 1 137 LEU HA 1 137 LEU QD . . 3.500 2.582 2.135 2.843 . 0 0 "[ . 1]" 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 42
_Distance_constraint_stats_list.Viol_count 107
_Distance_constraint_stats_list.Viol_total 169.136
_Distance_constraint_stats_list.Viol_max 0.869
_Distance_constraint_stats_list.Viol_rms 0.1087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0403
_Distance_constraint_stats_list.Viol_average_violations_only 0.1581
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ILE 1.669 0.320 9 0 "[ . 1]"
1 11 TRP 0.326 0.207 5 0 "[ . 1]"
1 22 GLN 4.100 0.869 4 3 "[ +* -1]"
1 24 LEU 1.053 0.215 10 0 "[ . 1]"
1 26 LEU 0.029 0.025 7 0 "[ . 1]"
1 32 ASP 2.092 0.733 6 1 "[ .+ 1]"
1 34 LEU 0.000 0.000 . 0 "[ . 1]"
1 35 ASP 0.762 0.170 3 0 "[ . 1]"
1 36 ILE 0.000 0.000 . 0 "[ . 1]"
1 37 ILE 1.232 0.320 9 0 "[ . 1]"
1 38 CYS 0.275 0.120 1 0 "[ . 1]"
1 52 TYR 2.986 0.571 8 1 "[ . + 1]"
1 54 VAL 1.602 0.321 10 0 "[ . 1]"
1 55 TYR 0.022 0.015 6 0 "[ . 1]"
1 57 VAL 0.082 0.070 1 0 "[ . 1]"
1 75 LEU 1.602 0.321 10 0 "[ . 1]"
1 77 CYS 2.986 0.571 8 1 "[ . + 1]"
1 84 ILE 0.275 0.120 1 0 "[ . 1]"
1 86 PHE 0.000 0.000 . 0 "[ . 1]"
1 88 ILE 0.000 0.000 . 0 "[ . 1]"
1 90 PHE 2.092 0.733 6 1 "[ .+ 1]"
1 106 LYS 0.726 0.379 6 0 "[ . 1]"
1 108 TYR 0.013 0.013 1 0 "[ . 1]"
1 109 TYR 0.082 0.070 1 0 "[ . 1]"
1 110 ILE 1.712 0.351 9 0 "[ . 1]"
1 111 ILE 0.022 0.015 6 0 "[ . 1]"
1 112 SER 0.227 0.108 7 0 "[ . 1]"
1 134 MET 0.227 0.108 7 0 "[ . 1]"
1 135 LYS 5.153 0.869 4 3 "[ +* -1]"
1 136 ILE 1.712 0.351 9 0 "[ . 1]"
1 137 LEU 0.029 0.025 7 0 "[ . 1]"
1 138 MET 0.013 0.013 1 0 "[ . 1]"
1 140 VAL 0.726 0.379 6 0 "[ . 1]"
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 32 ASP O 1 90 PHE H 2.200 . 2.200 2.270 1.828 2.933 0.733 6 1 "[ .+ 1]" 2
2 1 32 ASP O 1 90 PHE N 3.300 2.200 3.300 3.053 2.828 3.366 0.066 6 0 "[ . 1]" 2
3 1 34 LEU O 1 88 ILE H 2.200 . 2.200 1.995 1.886 2.137 . 0 0 "[ . 1]" 2
4 1 34 LEU O 1 88 ILE N 3.300 2.200 3.300 2.999 2.904 3.117 . 0 0 "[ . 1]" 2
5 1 36 ILE O 1 86 PHE H 2.200 . 2.200 1.957 1.870 2.061 . 0 0 "[ . 1]" 2
6 1 36 ILE O 1 86 PHE N 3.300 2.200 3.300 2.942 2.861 3.054 . 0 0 "[ . 1]" 2
7 1 38 CYS O 1 84 ILE H 2.200 . 2.200 2.133 1.916 2.320 0.120 1 0 "[ . 1]" 2
8 1 38 CYS O 1 84 ILE N 3.300 2.200 3.300 3.091 2.917 3.272 . 0 0 "[ . 1]" 2
9 1 54 VAL O 1 75 LEU H 2.200 . 2.200 2.235 1.865 2.521 0.321 10 0 "[ . 1]" 2
10 1 54 VAL O 1 75 LEU N 3.300 2.200 3.300 3.174 2.808 3.409 0.109 6 0 "[ . 1]" 2
11 1 52 TYR O 1 77 CYS H 2.200 . 2.200 2.401 1.990 2.771 0.571 8 1 "[ . + 1]" 2
12 1 52 TYR O 1 77 CYS N 3.300 2.200 3.300 3.084 2.896 3.226 . 0 0 "[ . 1]" 2
13 1 52 TYR H 1 77 CYS O 2.200 . 2.200 2.165 1.922 2.488 0.288 3 0 "[ . 1]" 2
14 1 52 TYR N 1 77 CYS O 3.300 2.200 3.300 3.141 2.894 3.415 0.115 3 0 "[ . 1]" 2
15 1 54 VAL H 1 75 LEU O 2.200 . 2.200 2.081 1.943 2.242 0.042 2 0 "[ . 1]" 2
16 1 54 VAL N 1 75 LEU O 3.300 2.200 3.300 3.043 2.864 3.206 . 0 0 "[ . 1]" 2
17 1 108 TYR O 1 138 MET H 2.200 . 2.200 2.059 1.892 2.213 0.013 1 0 "[ . 1]" 2
18 1 108 TYR O 1 138 MET N 3.300 2.200 3.300 3.027 2.895 3.167 . 0 0 "[ . 1]" 2
19 1 55 TYR O 1 111 ILE H 2.200 . 2.200 1.961 1.846 2.101 . 0 0 "[ . 1]" 2
20 1 55 TYR O 1 111 ILE N 3.300 2.200 3.300 2.926 2.814 3.019 . 0 0 "[ . 1]" 2
21 1 55 TYR H 1 111 ILE O 2.200 . 2.200 2.089 1.934 2.215 0.015 6 0 "[ . 1]" 2
22 1 55 TYR N 1 111 ILE O 3.300 2.200 3.300 3.080 2.944 3.194 . 0 0 "[ . 1]" 2
23 1 110 ILE H 1 136 ILE O 2.200 . 2.200 2.301 2.053 2.551 0.351 9 0 "[ . 1]" 2
24 1 110 ILE N 1 136 ILE O 3.300 2.200 3.300 3.213 2.988 3.466 0.166 1 0 "[ . 1]" 2
25 1 26 LEU H 1 137 LEU O 2.200 . 2.200 2.060 1.834 2.225 0.025 7 0 "[ . 1]" 2
26 1 26 LEU N 1 137 LEU O 3.300 2.200 3.300 3.046 2.848 3.177 . 0 0 "[ . 1]" 2
27 1 24 LEU H 1 135 LYS O 2.200 . 2.200 2.256 2.002 2.415 0.215 10 0 "[ . 1]" 2
28 1 24 LEU N 1 135 LYS O 3.300 2.200 3.300 3.210 2.958 3.360 0.060 8 0 "[ . 1]" 2
29 1 112 SER H 1 134 MET O 2.200 . 2.200 2.200 2.136 2.308 0.108 7 0 "[ . 1]" 2
30 1 112 SER N 1 134 MET O 3.300 2.200 3.300 3.054 2.979 3.196 . 0 0 "[ . 1]" 2
31 1 106 LYS H 1 140 VAL O 2.200 . 2.200 2.231 2.050 2.579 0.379 6 0 "[ . 1]" 2
32 1 106 LYS N 1 140 VAL O 3.300 2.200 3.300 3.144 2.965 3.258 . 0 0 "[ . 1]" 2
33 1 57 VAL H 1 109 TYR O 2.200 . 2.200 2.082 1.878 2.270 0.070 1 0 "[ . 1]" 2
34 1 57 VAL N 1 109 TYR O 3.300 2.200 3.300 3.003 2.850 3.195 . 0 0 "[ . 1]" 2
35 1 22 GLN O 1 135 LYS H 2.200 . 2.200 2.448 2.039 3.069 0.869 4 3 "[ +* -1]" 2
36 1 22 GLN O 1 135 LYS N 3.300 2.200 3.300 3.321 2.962 3.876 0.576 4 1 "[ +. 1]" 2
37 1 9 ILE O 1 37 ILE H 2.200 . 2.200 2.136 1.814 2.520 0.320 9 0 "[ . 1]" 2
38 1 9 ILE O 1 37 ILE N 3.300 2.200 3.300 3.019 2.763 3.369 0.069 9 0 "[ . 1]" 2
39 1 9 ILE H 1 35 ASP O 2.200 . 2.200 2.161 1.824 2.370 0.170 3 0 "[ . 1]" 2
40 1 9 ILE N 1 35 ASP O 3.300 2.200 3.300 3.109 2.827 3.347 0.047 3 0 "[ . 1]" 2
41 1 11 TRP H 1 37 ILE O 2.200 . 2.200 2.158 2.008 2.407 0.207 5 0 "[ . 1]" 2
42 1 11 TRP N 1 37 ILE O 3.300 2.200 3.300 3.061 2.879 3.242 . 0 0 "[ . 1]" 2
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