NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486150 |
2p3m   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2p3m
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 812
_Distance_constraint_stats_list.Viol_count 1796
_Distance_constraint_stats_list.Viol_total 4162.242
_Distance_constraint_stats_list.Viol_max 1.658
_Distance_constraint_stats_list.Viol_rms 0.0830
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0128
_Distance_constraint_stats_list.Viol_average_violations_only 0.1159
_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 3 LYS 0.018 0.018 19 0 "[ . 1 . 2]"
1 4 LEU 0.324 0.058 10 0 "[ . 1 . 2]"
1 5 MET 0.570 0.058 10 0 "[ . 1 . 2]"
1 6 ILE 0.478 0.049 12 0 "[ . 1 . 2]"
1 7 ILE 0.587 0.088 9 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 2.452 0.105 17 0 "[ . 1 . 2]"
1 10 GLU 18.487 0.501 20 1 "[ . 1 . +]"
1 11 VAL 0.223 0.021 10 0 "[ . 1 . 2]"
1 12 VAL 0.666 0.041 5 0 "[ . 1 . 2]"
1 13 SER 0.021 0.014 17 0 "[ . 1 . 2]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 26.675 1.658 11 20 [**********+*****-***]
1 25 PRO 9.382 0.522 10 11 "[*** *****+ * .- 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 26.734 1.658 11 20 [**********+*****-***]
1 28 LYS 10.369 0.522 10 11 "[*** *****+ * .- 2]"
1 29 GLU 0.585 0.038 13 0 "[ . 1 . 2]"
1 30 ILE 8.115 0.465 10 0 "[ . 1 . 2]"
1 31 PHE 1.807 0.199 10 0 "[ . 1 . 2]"
1 32 LYS 1.306 0.115 19 0 "[ . 1 . 2]"
1 33 LYS 1.184 0.079 1 0 "[ . 1 . 2]"
1 34 ILE 7.957 0.465 10 0 "[ . 1 . 2]"
1 35 LEU 6.450 0.284 16 0 "[ . 1 . 2]"
1 36 GLY 6.335 0.284 16 0 "[ . 1 . 2]"
1 37 PHE 1.039 0.068 10 0 "[ . 1 . 2]"
1 38 GLU 0.163 0.023 10 0 "[ . 1 . 2]"
1 39 PRO 1.156 0.068 10 0 "[ . 1 . 2]"
1 40 TYR 2.293 0.301 10 0 "[ . 1 . 2]"
1 41 GLU 0.006 0.006 8 0 "[ . 1 . 2]"
1 42 GLY 0.173 0.024 12 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 37.646 0.878 3 20 [**+-****************]
1 45 ASN 1.821 0.095 5 0 "[ . 1 . 2]"
1 46 LEU 8.643 0.332 10 0 "[ . 1 . 2]"
1 47 LYS 8.136 0.382 2 0 "[ . 1 . 2]"
1 48 LEU 18.616 0.879 17 20 [************-***+***]
1 49 ASP 2.198 0.064 13 0 "[ . 1 . 2]"
1 50 ARG 1.629 0.064 13 0 "[ . 1 . 2]"
1 51 GLU 0.083 0.010 14 0 "[ . 1 . 2]"
1 52 PHE 0.830 0.054 10 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 0.218 0.016 6 0 "[ . 1 . 2]"
1 55 ASN 0.537 0.035 10 0 "[ . 1 . 2]"
1 56 LYS 1.049 0.035 10 0 "[ . 1 . 2]"
1 57 PHE 10.289 0.505 10 2 "[ - . + . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TYR 10.055 0.505 10 2 "[ - . + . 2]"
1 60 ILE 0.855 0.040 17 0 "[ . 1 . 2]"
1 61 GLU 1.215 0.072 11 0 "[ . 1 . 2]"
1 62 THR 1.258 0.062 15 0 "[ . 1 . 2]"
1 63 GLU 0.118 0.033 17 0 "[ . 1 . 2]"
1 64 ASP 1.427 0.083 14 0 "[ . 1 . 2]"
1 65 PHE 1.886 0.083 14 0 "[ . 1 . 2]"
1 66 GLU 0.235 0.021 13 0 "[ . 1 . 2]"
1 67 PHE 10.099 0.518 17 8 "[ *. ** ** . +* -]"
1 68 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ARG 10.180 0.518 17 8 "[ *. ** ** . +* -]"
1 72 PHE 0.489 0.038 6 0 "[ . 1 . 2]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.291 0.028 14 0 "[ . 1 . 2]"
1 75 VAL 0.006 0.004 11 0 "[ . 1 . 2]"
1 76 LYS 1.873 0.062 15 0 "[ . 1 . 2]"
1 77 VAL 2.721 0.072 11 0 "[ . 1 . 2]"
1 78 LEU 0.009 0.009 17 0 "[ . 1 . 2]"
1 79 PRO 0.292 0.021 17 0 "[ . 1 . 2]"
1 80 ILE 2.438 0.080 6 0 "[ . 1 . 2]"
1 81 LYS 0.302 0.048 10 0 "[ . 1 . 2]"
1 82 ILE 4.765 0.196 12 0 "[ . 1 . 2]"
1 83 LEU 2.090 0.055 9 0 "[ . 1 . 2]"
1 84 ILE 0.988 0.044 17 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 0.909 0.044 17 0 "[ . 1 . 2]"
1 88 LYS 4.626 0.196 12 0 "[ . 1 . 2]"
1 89 ILE 0.313 0.033 10 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 1.502 0.080 6 0 "[ . 1 . 2]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ILE 1.322 0.061 5 0 "[ . 1 . 2]"
1 94 VAL 0.589 0.037 19 0 "[ . 1 . 2]"
1 95 VAL 1.101 0.069 1 0 "[ . 1 . 2]"
1 96 PRO 1.815 0.069 1 0 "[ . 1 . 2]"
1 97 LYS 0.063 0.027 5 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 0.248 0.053 14 0 "[ . 1 . 2]"
1 104 GLU 0.565 0.027 2 0 "[ . 1 . 2]"
1 105 ILE 18.093 0.879 17 20 [************-***+***]
1 106 ILE 6.269 0.332 10 0 "[ . 1 . 2]"
1 107 GLU 39.160 0.878 3 20 [**+-****************]
1 108 ILE 1.758 0.095 5 0 "[ . 1 . 2]"
1 109 ILE 0.995 0.061 5 0 "[ . 1 . 2]"
1 110 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 PRO 14.076 0.627 7 20 [******+****-********]
1 112 MET 11.783 0.627 7 20 [******+****-********]
1 113 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LEU 0.668 0.103 20 0 "[ . 1 . 2]"
1 115 ARG 2.111 0.070 10 0 "[ . 1 . 2]"
1 116 GLU 0.015 0.013 20 0 "[ . 1 . 2]"
1 117 GLN 0.873 0.103 20 0 "[ . 1 . 2]"
1 118 PHE 1.377 0.069 18 0 "[ . 1 . 2]"
1 119 ASN 0.091 0.012 7 0 "[ . 1 . 2]"
1 120 LEU 1.002 0.070 10 0 "[ . 1 . 2]"
1 121 LYS 0.432 0.030 20 0 "[ . 1 . 2]"
1 122 ASP 0.080 0.007 17 0 "[ . 1 . 2]"
1 123 GLY 3.505 0.108 20 0 "[ . 1 . 2]"
1 124 ASP 13.075 0.501 20 1 "[ . 1 . +]"
1 125 VAL 0.223 0.021 10 0 "[ . 1 . 2]"
1 126 ILE 0.001 0.001 6 0 "[ . 1 . 2]"
1 127 LYS 0.743 0.025 15 0 "[ . 1 . 2]"
1 128 ILE 0.265 0.020 10 0 "[ . 1 . 2]"
1 129 LEU 3.086 0.088 9 0 "[ . 1 . 2]"
1 130 ILE 0.686 0.049 12 0 "[ . 1 . 2]"
1 131 LYS 0.049 0.013 3 0 "[ . 1 . 2]"
1 132 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 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 4 LEU H 1 4 LEU HA 2.700 2.700 7.700 2.997 2.996 2.999 . 0 0 "[ . 1 . 2]" 1
2 1 5 MET H 1 5 MET HA 2.700 2.700 7.700 2.992 2.981 3.002 . 0 0 "[ . 1 . 2]" 1
3 1 6 ILE H 1 6 ILE HA 2.700 2.700 7.700 3.002 2.999 3.004 . 0 0 "[ . 1 . 2]" 1
4 1 6 ILE H 1 6 ILE HB 0.000 . 2.700 2.619 2.588 2.707 0.007 10 0 "[ . 1 . 2]" 1
5 1 6 ILE H 1 6 ILE QG 0.000 . 3.500 2.734 2.675 2.779 . 0 0 "[ . 1 . 2]" 1
6 1 7 ILE H 1 7 ILE HA 2.700 2.700 7.700 3.002 3.000 3.005 . 0 0 "[ . 1 . 2]" 1
7 1 7 ILE H 1 7 ILE QG 0.000 . 3.500 2.795 2.763 2.807 . 0 0 "[ . 1 . 2]" 1
8 1 8 GLU H 1 8 GLU HA 2.700 2.700 7.700 2.991 2.988 2.997 . 0 0 "[ . 1 . 2]" 1
9 1 9 GLY H 1 9 GLY HA3 2.700 2.700 7.700 2.607 2.595 2.621 0.105 17 0 "[ . 1 . 2]" 1
10 1 9 GLY H 1 9 GLY HA2 2.700 2.700 7.700 2.983 2.979 2.987 . 0 0 "[ . 1 . 2]" 1
11 1 10 GLU H 1 10 GLU HA 2.700 2.700 7.700 2.992 2.990 2.995 . 0 0 "[ . 1 . 2]" 1
12 1 10 GLU H 1 10 GLU QB 0.000 . 3.500 2.329 2.322 2.333 . 0 0 "[ . 1 . 2]" 1
13 1 11 VAL H 1 11 VAL HA 2.700 2.700 7.700 2.869 2.865 2.875 . 0 0 "[ . 1 . 2]" 1
14 1 12 VAL H 1 12 VAL HA 2.700 2.700 7.700 2.998 2.995 3.000 . 0 0 "[ . 1 . 2]" 1
15 1 13 SER H 1 13 SER HA 2.700 2.700 7.700 2.951 2.945 2.955 . 0 0 "[ . 1 . 2]" 1
16 1 30 ILE H 1 30 ILE HA 2.700 2.700 7.700 2.897 2.894 2.904 . 0 0 "[ . 1 . 2]" 1
17 1 30 ILE H 1 30 ILE HB 0.000 . 3.200 2.504 2.492 2.515 . 0 0 "[ . 1 . 2]" 1
18 1 31 PHE H 1 31 PHE HA 2.700 2.700 7.700 2.880 2.876 2.889 . 0 0 "[ . 1 . 2]" 1
19 1 31 PHE H 1 31 PHE HB2 0.000 . 3.200 2.118 2.101 2.266 . 0 0 "[ . 1 . 2]" 1
20 1 32 LYS H 1 32 LYS HA 2.700 2.700 7.700 2.879 2.872 2.888 . 0 0 "[ . 1 . 2]" 1
21 1 33 LYS H 1 33 LYS HA 2.700 2.700 7.700 2.890 2.886 2.892 . 0 0 "[ . 1 . 2]" 1
22 1 34 ILE H 1 34 ILE HA 2.700 2.700 7.700 2.939 2.937 2.941 . 0 0 "[ . 1 . 2]" 1
23 1 34 ILE H 1 34 ILE HB 0.000 . 3.200 2.460 2.447 2.470 . 0 0 "[ . 1 . 2]" 1
24 1 34 ILE H 1 34 ILE QG 0.000 . 4.000 2.172 2.155 2.202 . 0 0 "[ . 1 . 2]" 1
25 1 35 LEU H 1 35 LEU HA 2.700 2.700 7.700 2.984 2.978 2.986 . 0 0 "[ . 1 . 2]" 1
26 1 35 LEU H 1 35 LEU HB2 0.000 . 3.200 2.338 2.314 2.366 . 0 0 "[ . 1 . 2]" 1
27 1 36 GLY H 1 36 GLY HA3 2.700 2.700 7.700 2.926 2.922 2.929 . 0 0 "[ . 1 . 2]" 1
28 1 36 GLY H 1 36 GLY HA2 0.000 . 2.700 2.356 2.355 2.358 . 0 0 "[ . 1 . 2]" 1
29 1 37 PHE H 1 37 PHE HA 2.700 2.700 7.700 2.953 2.949 2.955 . 0 0 "[ . 1 . 2]" 1
30 1 38 GLU H 1 38 GLU HA 2.700 2.700 7.700 2.969 2.966 2.973 . 0 0 "[ . 1 . 2]" 1
31 1 38 GLU H 1 38 GLU HB2 0.000 . 3.200 2.247 2.158 2.296 . 0 0 "[ . 1 . 2]" 1
32 1 40 TYR H 1 40 TYR HA 2.700 2.700 7.700 2.914 2.912 2.916 . 0 0 "[ . 1 . 2]" 1
33 1 40 TYR H 1 40 TYR QB 0.000 . 3.200 2.198 2.197 2.199 . 0 0 "[ . 1 . 2]" 1
34 1 41 GLU H 1 41 GLU HA 2.700 2.700 7.700 2.932 2.931 2.933 . 0 0 "[ . 1 . 2]" 1
35 1 41 GLU H 1 41 GLU HB2 0.000 . 3.200 2.322 2.315 2.333 . 0 0 "[ . 1 . 2]" 1
36 1 43 THR H 1 43 THR HA 2.700 2.700 7.700 2.988 2.986 2.989 . 0 0 "[ . 1 . 2]" 1
37 1 44 LEU H 1 44 LEU HA 2.700 2.700 7.700 2.995 2.993 2.996 . 0 0 "[ . 1 . 2]" 1
38 1 45 ASN H 1 45 ASN HA 2.700 2.700 7.700 2.978 2.976 2.981 . 0 0 "[ . 1 . 2]" 1
39 1 46 LEU H 1 46 LEU HA 2.700 2.700 7.700 3.006 3.005 3.007 . 0 0 "[ . 1 . 2]" 1
40 1 46 LEU H 1 46 LEU HG 0.000 . 3.200 3.060 3.003 3.093 . 0 0 "[ . 1 . 2]" 1
41 1 47 LYS H 1 47 LYS HA 2.700 2.700 7.700 2.977 2.976 2.978 . 0 0 "[ . 1 . 2]" 1
42 1 48 LEU H 1 48 LEU HA 2.700 2.700 7.700 2.995 2.994 2.997 . 0 0 "[ . 1 . 2]" 1
43 1 49 ASP H 1 49 ASP HA 2.700 2.700 7.700 2.951 2.949 2.952 . 0 0 "[ . 1 . 2]" 1
44 1 49 ASP H 1 49 ASP HB3 0.000 . 3.200 2.689 2.659 2.694 . 0 0 "[ . 1 . 2]" 1
45 1 50 ARG H 1 50 ARG HA 2.700 2.700 7.700 2.971 2.969 2.973 . 0 0 "[ . 1 . 2]" 1
46 1 51 GLU H 1 51 GLU HA 2.700 2.700 7.700 2.870 2.860 2.875 . 0 0 "[ . 1 . 2]" 1
47 1 51 GLU H 1 51 GLU QG 0.000 . 4.000 2.061 1.999 2.111 . 0 0 "[ . 1 . 2]" 1
48 1 52 PHE H 1 52 PHE HA 2.700 2.700 7.700 2.999 2.995 3.001 . 0 0 "[ . 1 . 2]" 1
49 1 52 PHE H 1 52 PHE HB3 0.000 . 3.200 2.622 2.608 2.645 . 0 0 "[ . 1 . 2]" 1
50 1 54 ILE H 1 54 ILE HA 2.700 2.700 7.700 2.866 2.864 2.871 . 0 0 "[ . 1 . 2]" 1
51 1 54 ILE H 1 54 ILE HB 0.000 . 3.200 2.462 2.456 2.478 . 0 0 "[ . 1 . 2]" 1
52 1 55 ASN H 1 55 ASN HA 2.700 2.700 7.700 2.907 2.901 2.911 . 0 0 "[ . 1 . 2]" 1
53 1 55 ASN H 1 55 ASN HB3 3.200 3.200 5.000 3.563 3.553 3.568 . 0 0 "[ . 1 . 2]" 1
54 1 55 ASN H 1 55 ASN HB2 0.000 . 3.200 2.350 2.304 2.372 . 0 0 "[ . 1 . 2]" 1
55 1 56 LYS H 1 56 LYS HA 2.700 2.700 7.700 2.956 2.952 2.958 . 0 0 "[ . 1 . 2]" 1
56 1 56 LYS H 1 56 LYS HB2 0.000 . 3.200 2.307 2.264 2.328 . 0 0 "[ . 1 . 2]" 1
57 1 57 PHE H 1 57 PHE HA 2.700 2.700 7.700 2.996 2.995 2.999 . 0 0 "[ . 1 . 2]" 1
58 1 57 PHE H 1 57 PHE HD2 0.000 . 3.200 2.513 2.479 2.560 . 0 0 "[ . 1 . 2]" 1
59 1 58 LYS H 1 58 LYS HA 2.700 2.700 7.700 2.967 2.964 2.969 . 0 0 "[ . 1 . 2]" 1
60 1 59 TYR H 1 59 TYR HA 2.700 2.700 7.700 2.990 2.985 2.991 . 0 0 "[ . 1 . 2]" 1
61 1 59 TYR H 1 59 TYR HB3 0.000 . 3.200 2.785 2.766 2.802 . 0 0 "[ . 1 . 2]" 1
62 1 60 ILE H 1 60 ILE HA 2.700 2.700 7.700 2.997 2.995 2.998 . 0 0 "[ . 1 . 2]" 1
63 1 61 GLU H 1 61 GLU HA 2.700 2.700 7.700 2.990 2.989 2.991 . 0 0 "[ . 1 . 2]" 1
64 1 62 THR H 1 62 THR HA 2.700 2.700 7.700 3.003 3.001 3.005 . 0 0 "[ . 1 . 2]" 1
65 1 63 GLU H 1 63 GLU HA 2.700 2.700 7.700 2.913 2.908 2.917 . 0 0 "[ . 1 . 2]" 1
66 1 64 ASP H 1 64 ASP HA 2.700 2.700 7.700 2.898 2.895 2.903 . 0 0 "[ . 1 . 2]" 1
67 1 64 ASP H 1 64 ASP HB2 0.000 . 3.200 2.442 2.425 2.449 . 0 0 "[ . 1 . 2]" 1
68 1 65 PHE H 1 65 PHE HA 2.700 2.700 7.700 2.989 2.981 2.993 . 0 0 "[ . 1 . 2]" 1
69 1 66 GLU H 1 66 GLU HA 2.700 2.700 7.700 3.002 3.001 3.004 . 0 0 "[ . 1 . 2]" 1
70 1 67 PHE H 1 67 PHE HA 2.700 2.700 7.700 2.968 2.964 2.972 . 0 0 "[ . 1 . 2]" 1
71 1 69 GLY H 1 69 GLY HA3 2.700 2.700 7.700 2.906 2.903 2.909 . 0 0 "[ . 1 . 2]" 1
72 1 69 GLY H 1 69 GLY HA2 0.000 . 2.700 2.355 2.353 2.356 . 0 0 "[ . 1 . 2]" 1
73 1 70 LYS H 1 70 LYS HA 2.700 2.700 7.700 2.996 2.995 2.998 . 0 0 "[ . 1 . 2]" 1
74 1 70 LYS H 1 70 LYS QG 0.000 . 4.000 2.824 2.806 2.847 . 0 0 "[ . 1 . 2]" 1
75 1 71 ARG H 1 71 ARG HA 2.700 2.700 7.700 2.967 2.965 2.968 . 0 0 "[ . 1 . 2]" 1
76 1 72 PHE H 1 72 PHE HA 2.700 2.700 7.700 3.000 2.999 3.002 . 0 0 "[ . 1 . 2]" 1
77 1 73 PHE H 1 73 PHE HA 2.700 2.700 7.700 2.952 2.951 2.955 . 0 0 "[ . 1 . 2]" 1
78 1 74 GLY H 1 74 GLY HA3 0.000 . 2.700 2.335 2.333 2.337 . 0 0 "[ . 1 . 2]" 1
79 1 74 GLY H 1 74 GLY HA2 2.700 2.700 7.700 2.869 2.865 2.873 . 0 0 "[ . 1 . 2]" 1
80 1 75 VAL H 1 75 VAL HA 2.700 2.700 7.700 2.983 2.974 2.985 . 0 0 "[ . 1 . 2]" 1
81 1 75 VAL H 1 75 VAL HB 3.200 3.200 8.200 3.849 3.841 3.876 . 0 0 "[ . 1 . 2]" 1
82 1 76 LYS H 1 76 LYS HA 2.700 2.700 7.700 3.001 2.998 3.004 . 0 0 "[ . 1 . 2]" 1
83 1 77 VAL H 1 77 VAL HA 2.700 2.700 7.700 2.998 2.996 3.000 . 0 0 "[ . 1 . 2]" 1
84 1 77 VAL H 1 77 VAL HB 0.000 . 3.200 2.658 2.636 2.669 . 0 0 "[ . 1 . 2]" 1
85 1 78 LEU H 1 78 LEU HA 2.700 2.700 7.700 2.992 2.990 2.994 . 0 0 "[ . 1 . 2]" 1
86 1 80 ILE H 1 80 ILE HA 2.700 2.700 7.700 2.979 2.978 2.980 . 0 0 "[ . 1 . 2]" 1
87 1 80 ILE H 1 80 ILE HB 3.200 3.200 8.200 3.856 3.852 3.857 . 0 0 "[ . 1 . 2]" 1
88 1 81 LYS H 1 81 LYS HA 2.700 2.700 7.700 3.002 3.001 3.004 . 0 0 "[ . 1 . 2]" 1
89 1 82 ILE H 1 82 ILE HA 2.700 2.700 7.700 2.992 2.990 2.993 . 0 0 "[ . 1 . 2]" 1
90 1 83 LEU H 1 83 LEU HA 2.700 2.700 7.700 2.992 2.990 2.993 . 0 0 "[ . 1 . 2]" 1
91 1 84 ILE H 1 84 ILE HA 2.700 2.700 7.700 2.999 2.998 3.000 . 0 0 "[ . 1 . 2]" 1
92 1 87 LYS H 1 87 LYS HA 2.700 2.700 7.700 2.999 2.998 3.001 . 0 0 "[ . 1 . 2]" 1
93 1 88 LYS H 1 88 LYS HA 2.700 2.700 7.700 2.999 2.998 3.000 . 0 0 "[ . 1 . 2]" 1
94 1 89 ILE H 1 89 ILE HA 2.700 2.700 7.700 3.003 3.002 3.004 . 0 0 "[ . 1 . 2]" 1
95 1 90 ASP H 1 90 ASP HA 2.700 2.700 7.700 2.913 2.911 2.915 . 0 0 "[ . 1 . 2]" 1
96 1 91 GLY H 1 91 GLY HA2 2.700 2.700 7.700 2.961 2.954 2.967 . 0 0 "[ . 1 . 2]" 1
97 1 92 ALA H 1 92 ALA HA 2.700 2.700 7.700 2.943 2.941 2.944 . 0 0 "[ . 1 . 2]" 1
98 1 93 ILE H 1 93 ILE HA 2.700 2.700 7.700 2.996 2.994 2.997 . 0 0 "[ . 1 . 2]" 1
99 1 94 VAL H 1 94 VAL HA 2.700 2.700 7.700 3.005 3.003 3.007 . 0 0 "[ . 1 . 2]" 1
100 1 95 VAL H 1 95 VAL HA 2.700 2.700 7.700 2.982 2.976 2.985 . 0 0 "[ . 1 . 2]" 1
101 1 97 LYS H 1 97 LYS HA 2.700 2.700 7.700 2.876 2.859 2.881 . 0 0 "[ . 1 . 2]" 1
102 1 104 GLU H 1 104 GLU HA 2.700 2.700 7.700 2.993 2.990 2.995 . 0 0 "[ . 1 . 2]" 1
103 1 105 ILE H 1 105 ILE HA 2.700 2.700 7.700 3.003 3.001 3.004 . 0 0 "[ . 1 . 2]" 1
104 1 105 ILE H 1 105 ILE HB 0.000 . 2.700 2.576 2.555 2.589 . 0 0 "[ . 1 . 2]" 1
105 1 106 ILE H 1 106 ILE HA 2.700 2.700 7.700 3.000 2.999 3.001 . 0 0 "[ . 1 . 2]" 1
106 1 107 GLU H 1 107 GLU HA 2.700 2.700 7.700 3.000 2.998 3.002 . 0 0 "[ . 1 . 2]" 1
107 1 108 ILE H 1 108 ILE HA 2.700 2.700 7.700 3.001 2.998 3.003 . 0 0 "[ . 1 . 2]" 1
108 1 108 ILE H 1 108 ILE HB 0.000 . 3.200 2.450 2.435 2.466 . 0 0 "[ . 1 . 2]" 1
109 1 109 ILE H 1 109 ILE HA 2.700 2.700 7.700 2.999 2.997 3.001 . 0 0 "[ . 1 . 2]" 1
110 1 110 ALA H 1 110 ALA HA 2.700 2.700 7.700 2.977 2.976 2.978 . 0 0 "[ . 1 . 2]" 1
111 1 112 MET H 1 112 MET HA 2.700 2.700 7.700 2.958 2.957 2.959 . 0 0 "[ . 1 . 2]" 1
112 1 114 LEU H 1 114 LEU HA 2.700 2.700 7.700 2.848 2.845 2.857 . 0 0 "[ . 1 . 2]" 1
113 1 114 LEU H 1 114 LEU HG 0.000 . 3.200 2.055 2.046 2.152 . 0 0 "[ . 1 . 2]" 1
114 1 116 GLU H 1 116 GLU HA 2.700 2.700 7.700 2.934 2.933 2.935 . 0 0 "[ . 1 . 2]" 1
115 1 116 GLU H 1 116 GLU QB 0.000 . 3.500 2.245 2.200 2.345 . 0 0 "[ . 1 . 2]" 1
116 1 117 GLN H 1 117 GLN HA 2.700 2.700 7.700 2.869 2.867 2.871 . 0 0 "[ . 1 . 2]" 1
117 1 117 GLN H 1 117 GLN QB 0.000 . 3.500 2.368 2.341 2.374 . 0 0 "[ . 1 . 2]" 1
118 1 118 PHE H 1 118 PHE HA 2.700 2.700 7.700 2.990 2.986 2.992 . 0 0 "[ . 1 . 2]" 1
119 1 118 PHE H 1 118 PHE HB3 0.000 . 4.000 3.586 3.574 3.595 . 0 0 "[ . 1 . 2]" 1
120 1 118 PHE H 1 118 PHE HB2 0.000 . 3.200 2.304 2.285 2.320 . 0 0 "[ . 1 . 2]" 1
121 1 119 ASN HA 1 119 ASN HD21 0.000 . 4.000 2.734 2.048 4.008 0.008 6 0 "[ . 1 . 2]" 1
122 1 119 ASN H 1 119 ASN HA 0.000 . 2.700 2.337 2.335 2.338 . 0 0 "[ . 1 . 2]" 1
123 1 120 LEU H 1 120 LEU HA 2.700 2.700 7.700 2.962 2.959 2.967 . 0 0 "[ . 1 . 2]" 1
124 1 121 LYS H 1 121 LYS HA 2.700 2.700 7.700 3.000 2.997 3.001 . 0 0 "[ . 1 . 2]" 1
125 1 122 ASP H 1 122 ASP HA 2.700 2.700 7.700 2.831 2.829 2.832 . 0 0 "[ . 1 . 2]" 1
126 1 122 ASP H 1 122 ASP HB2 0.000 . 3.200 2.437 2.434 2.440 . 0 0 "[ . 1 . 2]" 1
127 1 123 GLY H 1 123 GLY HA3 2.700 2.700 7.700 2.972 2.971 2.973 . 0 0 "[ . 1 . 2]" 1
128 1 124 ASP H 1 124 ASP HA 2.700 2.700 7.700 2.884 2.883 2.885 . 0 0 "[ . 1 . 2]" 1
129 1 124 ASP H 1 124 ASP HB2 0.000 . 2.700 2.150 2.139 2.159 . 0 0 "[ . 1 . 2]" 1
130 1 125 VAL H 1 125 VAL HA 2.700 2.700 7.700 2.999 2.997 3.001 . 0 0 "[ . 1 . 2]" 1
131 1 126 ILE H 1 126 ILE HA 2.700 2.700 7.700 2.995 2.992 2.996 . 0 0 "[ . 1 . 2]" 1
132 1 127 LYS H 1 127 LYS HA 2.700 2.700 7.700 2.996 2.994 2.998 . 0 0 "[ . 1 . 2]" 1
133 1 128 ILE H 1 128 ILE HA 2.700 2.700 7.700 2.995 2.992 2.997 . 0 0 "[ . 1 . 2]" 1
134 1 129 LEU H 1 129 LEU HA 2.700 2.700 7.700 2.993 2.980 2.996 . 0 0 "[ . 1 . 2]" 1
135 1 130 ILE H 1 130 ILE HA 2.700 2.700 7.700 3.002 2.996 3.005 . 0 0 "[ . 1 . 2]" 1
136 1 131 LYS H 1 131 LYS HA 2.700 2.700 7.700 2.967 2.962 2.973 . 0 0 "[ . 1 . 2]" 1
137 1 132 GLY H 1 132 GLY HA3 2.700 2.700 7.700 2.727 2.726 2.728 . 0 0 "[ . 1 . 2]" 1
138 1 132 GLY H 1 132 GLY HA2 2.700 2.700 7.700 2.932 2.930 2.933 . 0 0 "[ . 1 . 2]" 1
139 1 3 LYS HA 1 4 LEU H 0.000 . 2.700 2.247 2.197 2.718 0.018 19 0 "[ . 1 . 2]" 1
140 1 4 LEU H 1 5 MET H 3.200 3.200 8.200 4.547 4.456 4.562 . 0 0 "[ . 1 . 2]" 1
141 1 4 LEU HA 1 5 MET H 0.000 . 2.700 2.311 2.271 2.392 . 0 0 "[ . 1 . 2]" 1
142 1 4 LEU HB3 1 5 MET H 0.000 . 4.000 2.938 2.722 3.094 . 0 0 "[ . 1 . 2]" 1
143 1 4 LEU HB2 1 5 MET H 0.000 . 4.000 3.998 3.852 4.058 0.058 10 0 "[ . 1 . 2]" 1
144 1 5 MET H 1 6 ILE H 3.200 3.200 8.200 4.501 4.392 4.558 . 0 0 "[ . 1 . 2]" 1
145 1 5 MET HA 1 6 ILE H 0.000 . 2.700 2.272 2.257 2.288 . 0 0 "[ . 1 . 2]" 1
146 1 5 MET QB 1 6 ILE H 0.000 . 4.000 3.593 3.562 3.612 . 0 0 "[ . 1 . 2]" 1
147 1 5 MET QG 1 6 ILE H 0.000 . 4.000 2.403 2.220 3.071 . 0 0 "[ . 1 . 2]" 1
148 1 6 ILE H 1 7 ILE H 3.200 3.200 8.200 4.350 4.285 4.386 . 0 0 "[ . 1 . 2]" 1
149 1 6 ILE HA 1 7 ILE H 0.000 . 2.700 2.209 2.200 2.229 . 0 0 "[ . 1 . 2]" 1
150 1 7 ILE H 1 8 GLU H 3.200 3.200 8.200 4.461 4.455 4.480 . 0 0 "[ . 1 . 2]" 1
151 1 7 ILE HA 1 8 GLU H 0.000 . 2.700 2.304 2.284 2.327 . 0 0 "[ . 1 . 2]" 1
152 1 7 ILE MG 1 8 GLU H 0.000 . 4.000 2.222 2.166 2.266 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLU H 1 9 GLY H 3.200 3.200 8.200 4.545 4.532 4.562 . 0 0 "[ . 1 . 2]" 1
154 1 9 GLY H 1 10 GLU H 3.200 3.200 8.200 4.441 4.426 4.449 . 0 0 "[ . 1 . 2]" 1
155 1 8 GLU HA 1 9 GLY H 0.000 . 2.700 2.252 2.236 2.281 . 0 0 "[ . 1 . 2]" 1
156 1 8 GLU QB 1 9 GLY H 0.000 . 4.000 3.066 2.964 3.139 . 0 0 "[ . 1 . 2]" 1
157 1 10 GLU H 1 11 VAL H 3.200 3.200 8.200 4.538 4.533 4.542 . 0 0 "[ . 1 . 2]" 1
158 1 9 GLY HA3 1 10 GLU H 0.000 . 3.200 2.955 2.936 2.975 . 0 0 "[ . 1 . 2]" 1
159 1 9 GLY HA2 1 10 GLU H 0.000 . 2.700 2.311 2.297 2.325 . 0 0 "[ . 1 . 2]" 1
160 1 10 GLU HA 1 11 VAL H 0.000 . 2.700 2.240 2.232 2.244 . 0 0 "[ . 1 . 2]" 1
161 1 11 VAL H 1 12 VAL H 3.200 3.200 8.200 4.549 4.538 4.560 . 0 0 "[ . 1 . 2]" 1
162 1 11 VAL HA 1 12 VAL H 0.000 . 2.700 2.211 2.206 2.217 . 0 0 "[ . 1 . 2]" 1
163 1 11 VAL HB 1 12 VAL H 3.200 3.200 5.000 4.301 4.272 4.327 . 0 0 "[ . 1 . 2]" 1
164 1 12 VAL H 1 13 SER H 3.200 3.200 8.200 4.491 4.409 4.519 . 0 0 "[ . 1 . 2]" 1
165 1 12 VAL HA 1 13 SER H 0.000 . 2.700 2.329 2.215 2.436 . 0 0 "[ . 1 . 2]" 1
166 1 12 VAL HB 1 13 SER H 0.000 . 3.200 2.842 2.553 3.214 0.014 17 0 "[ . 1 . 2]" 1
167 1 25 PRO HB3 1 26 PRO HD3 0.000 . 4.000 3.711 3.642 3.777 . 0 0 "[ . 1 . 2]" 1
168 1 25 PRO HB2 1 26 PRO HD3 0.000 . 3.200 2.021 1.999 2.041 . 0 0 "[ . 1 . 2]" 1
169 1 27 TYR H 1 28 LYS H 0.000 . 2.700 2.707 2.692 2.736 0.036 17 0 "[ . 1 . 2]" 1
170 1 28 LYS H 1 29 GLU H 0.000 . 2.700 2.657 2.636 2.688 . 0 0 "[ . 1 . 2]" 1
171 1 29 GLU H 1 30 ILE H 0.000 . 2.700 2.729 2.721 2.738 0.038 13 0 "[ . 1 . 2]" 1
172 1 29 GLU HA 1 30 ILE H 2.700 2.700 7.700 3.576 3.571 3.582 . 0 0 "[ . 1 . 2]" 1
173 1 29 GLU QB 1 30 ILE H 0.000 . 4.000 2.394 2.327 2.438 . 0 0 "[ . 1 . 2]" 1
174 1 30 ILE H 1 31 PHE H 0.000 . 2.700 2.596 2.566 2.613 . 0 0 "[ . 1 . 2]" 1
175 1 30 ILE HA 1 31 PHE H 3.200 3.200 8.200 3.537 3.530 3.544 . 0 0 "[ . 1 . 2]" 1
176 1 30 ILE HB 1 31 PHE H 0.000 . 4.000 3.944 3.911 3.971 . 0 0 "[ . 1 . 2]" 1
177 1 31 PHE H 1 32 LYS H 0.000 . 2.700 2.708 2.683 2.726 0.026 18 0 "[ . 1 . 2]" 1
178 1 31 PHE HA 1 32 LYS H 3.200 3.200 8.200 3.567 3.558 3.574 . 0 0 "[ . 1 . 2]" 1
179 1 31 PHE HB2 1 32 LYS H 0.000 . 4.000 2.712 2.653 2.866 . 0 0 "[ . 1 . 2]" 1
180 1 32 LYS H 1 33 LYS H 0.000 . 2.700 2.661 2.650 2.688 . 0 0 "[ . 1 . 2]" 1
181 1 32 LYS HA 1 33 LYS H 3.200 3.200 8.200 3.533 3.529 3.544 . 0 0 "[ . 1 . 2]" 1
182 1 32 LYS QB 1 33 LYS H 0.000 . 4.000 2.681 2.611 2.725 . 0 0 "[ . 1 . 2]" 1
183 1 33 LYS H 1 34 ILE H 0.000 . 2.700 2.648 2.640 2.658 . 0 0 "[ . 1 . 2]" 1
184 1 33 LYS HA 1 34 ILE H 3.200 3.200 8.200 3.558 3.549 3.563 . 0 0 "[ . 1 . 2]" 1
185 1 33 LYS QB 1 34 ILE H 0.000 . 4.000 2.573 2.542 2.636 . 0 0 "[ . 1 . 2]" 1
186 1 34 ILE H 1 35 LEU H 0.000 . 2.700 2.423 2.417 2.438 . 0 0 "[ . 1 . 2]" 1
187 1 34 ILE HA 1 35 LEU H 3.200 3.200 8.200 3.543 3.540 3.550 . 0 0 "[ . 1 . 2]" 1
188 1 34 ILE HB 1 35 LEU H 0.000 . 4.000 2.726 2.674 2.774 . 0 0 "[ . 1 . 2]" 1
189 1 35 LEU H 1 36 GLY H 0.000 . 2.700 2.179 2.168 2.226 . 0 0 "[ . 1 . 2]" 1
190 1 35 LEU HA 1 36 GLY H 3.200 3.200 8.200 3.515 3.512 3.520 . 0 0 "[ . 1 . 2]" 1
191 1 35 LEU HB3 1 36 GLY H 3.200 3.200 5.000 3.888 3.868 3.912 . 0 0 "[ . 1 . 2]" 1
192 1 35 LEU HB2 1 36 GLY H 3.200 3.200 5.000 2.942 2.916 2.968 0.284 16 0 "[ . 1 . 2]" 1
193 1 36 GLY H 1 37 PHE H 0.000 . 3.200 2.559 2.544 2.577 . 0 0 "[ . 1 . 2]" 1
194 1 36 GLY HA3 1 37 PHE H 2.700 2.700 7.700 3.448 3.433 3.455 . 0 0 "[ . 1 . 2]" 1
195 1 36 GLY HA2 1 37 PHE H 2.700 2.700 7.700 3.256 3.246 3.272 . 0 0 "[ . 1 . 2]" 1
196 1 37 PHE H 1 38 GLU H 3.200 3.200 8.200 4.418 4.402 4.426 . 0 0 "[ . 1 . 2]" 1
197 1 38 GLU HA 1 39 PRO HD3 0.000 . 2.700 2.704 2.670 2.723 0.023 10 0 "[ . 1 . 2]" 1
198 1 38 GLU HA 1 39 PRO HD2 0.000 . 2.700 2.101 2.091 2.120 . 0 0 "[ . 1 . 2]" 1
199 1 37 PHE HA 1 38 GLU H 0.000 . 2.700 2.391 2.375 2.417 . 0 0 "[ . 1 . 2]" 1
200 1 37 PHE HB3 1 38 GLU H 0.000 . 4.000 3.948 3.908 3.977 . 0 0 "[ . 1 . 2]" 1
201 1 38 GLU H 1 39 PRO HD3 3.200 3.200 8.200 4.659 4.591 4.744 . 0 0 "[ . 1 . 2]" 1
202 1 38 GLU H 1 39 PRO HD2 3.200 3.200 8.200 4.848 4.820 4.892 . 0 0 "[ . 1 . 2]" 1
203 1 39 PRO HD3 1 40 TYR H 3.200 3.200 8.200 5.529 5.512 5.546 . 0 0 "[ . 1 . 2]" 1
204 1 39 PRO HD2 1 40 TYR H 3.200 3.200 8.200 5.681 5.662 5.694 . 0 0 "[ . 1 . 2]" 1
205 1 39 PRO HA 1 40 TYR H 0.000 . 2.700 2.374 2.345 2.404 . 0 0 "[ . 1 . 2]" 1
206 1 39 PRO QB 1 40 TYR H 0.000 . 4.000 2.784 2.703 2.856 . 0 0 "[ . 1 . 2]" 1
207 1 40 TYR H 1 41 GLU H 3.200 3.200 8.200 4.671 4.667 4.676 . 0 0 "[ . 1 . 2]" 1
208 1 40 TYR HA 1 41 GLU H 0.000 . 2.700 2.408 2.388 2.421 . 0 0 "[ . 1 . 2]" 1
209 1 40 TYR QB 1 41 GLU H 3.200 3.200 5.000 3.377 3.357 3.405 . 0 0 "[ . 1 . 2]" 1
210 1 41 GLU H 1 42 GLY H 3.200 3.200 8.200 3.917 3.909 3.927 . 0 0 "[ . 1 . 2]" 1
211 1 41 GLU HA 1 42 GLY H 0.000 . 2.700 2.435 2.428 2.445 . 0 0 "[ . 1 . 2]" 1
212 1 41 GLU HB3 1 42 GLY H 3.200 3.200 5.000 4.281 4.276 4.286 . 0 0 "[ . 1 . 2]" 1
213 1 41 GLU HB2 1 42 GLY H 3.200 3.200 5.000 4.499 4.496 4.502 . 0 0 "[ . 1 . 2]" 1
214 1 42 GLY H 1 43 THR H 3.200 3.200 8.200 4.375 4.367 4.383 . 0 0 "[ . 1 . 2]" 1
215 1 42 GLY QA 1 43 THR H 0.000 . 2.700 2.317 2.310 2.322 . 0 0 "[ . 1 . 2]" 1
216 1 43 THR H 1 44 LEU H 3.200 3.200 8.200 4.449 4.439 4.456 . 0 0 "[ . 1 . 2]" 1
217 1 43 THR HA 1 44 LEU H 0.000 . 2.700 2.308 2.289 2.320 . 0 0 "[ . 1 . 2]" 1
218 1 43 THR HB 1 44 LEU H 0.000 . 3.200 2.859 2.812 2.946 . 0 0 "[ . 1 . 2]" 1
219 1 43 THR MG 1 44 LEU H 0.000 . 4.000 3.534 3.499 3.590 . 0 0 "[ . 1 . 2]" 1
220 1 44 LEU H 1 45 ASN H 3.200 3.200 8.200 4.329 4.304 4.362 . 0 0 "[ . 1 . 2]" 1
221 1 44 LEU HA 1 45 ASN H 0.000 . 2.700 2.215 2.212 2.219 . 0 0 "[ . 1 . 2]" 1
222 1 45 ASN H 1 46 LEU H 3.200 3.200 8.200 4.444 4.431 4.456 . 0 0 "[ . 1 . 2]" 1
223 1 45 ASN HA 1 46 LEU H 0.000 . 2.700 2.201 2.198 2.203 . 0 0 "[ . 1 . 2]" 1
224 1 45 ASN HB3 1 46 LEU H 0.000 . 4.000 3.589 3.556 3.625 . 0 0 "[ . 1 . 2]" 1
225 1 45 ASN HB2 1 46 LEU H 3.200 3.200 5.000 4.431 4.401 4.458 . 0 0 "[ . 1 . 2]" 1
226 1 45 ASN HD21 1 46 LEU H 0.000 . 5.000 5.009 5.004 5.013 0.013 13 0 "[ . 1 . 2]" 1
227 1 46 LEU H 1 47 LYS H 3.200 3.200 8.200 4.426 4.416 4.431 . 0 0 "[ . 1 . 2]" 1
228 1 46 LEU HA 1 47 LYS H 0.000 . 2.700 2.195 2.192 2.198 . 0 0 "[ . 1 . 2]" 1
229 1 46 LEU HB3 1 47 LYS H 0.000 . 4.000 3.334 3.325 3.348 . 0 0 "[ . 1 . 2]" 1
230 1 46 LEU HB2 1 47 LYS H 3.200 3.200 5.000 4.306 4.298 4.313 . 0 0 "[ . 1 . 2]" 1
231 1 47 LYS H 1 48 LEU H 3.200 3.200 8.200 4.542 4.533 4.548 . 0 0 "[ . 1 . 2]" 1
232 1 47 LYS HA 1 48 LEU H 0.000 . 2.700 2.228 2.224 2.233 . 0 0 "[ . 1 . 2]" 1
233 1 48 LEU H 1 49 ASP H 3.200 3.200 8.200 4.551 4.546 4.555 . 0 0 "[ . 1 . 2]" 1
234 1 48 LEU HA 1 49 ASP H 0.000 . 2.700 2.348 2.343 2.352 . 0 0 "[ . 1 . 2]" 1
235 1 48 LEU HB3 1 49 ASP H 0.000 . 2.700 2.751 2.747 2.757 0.057 4 0 "[ . 1 . 2]" 1
236 1 49 ASP H 1 50 ARG H 0.000 . 2.700 2.759 2.755 2.764 0.064 13 0 "[ . 1 . 2]" 1
237 1 49 ASP HA 1 50 ARG H 2.700 2.700 7.700 3.215 3.208 3.222 . 0 0 "[ . 1 . 2]" 1
238 1 49 ASP HB3 1 50 ARG H 3.200 3.200 5.000 4.538 4.525 4.543 . 0 0 "[ . 1 . 2]" 1
239 1 49 ASP HB2 1 50 ARG H 3.200 3.200 5.000 4.458 4.453 4.471 . 0 0 "[ . 1 . 2]" 1
240 1 50 ARG H 1 51 GLU H 3.200 3.200 8.200 4.320 4.301 4.343 . 0 0 "[ . 1 . 2]" 1
241 1 50 ARG HA 1 51 GLU H 0.000 . 2.700 2.249 2.236 2.260 . 0 0 "[ . 1 . 2]" 1
242 1 51 GLU H 1 52 PHE H 3.200 3.200 8.200 4.693 4.690 4.697 . 0 0 "[ . 1 . 2]" 1
243 1 51 GLU HA 1 52 PHE H 0.000 . 2.700 2.290 2.282 2.306 . 0 0 "[ . 1 . 2]" 1
244 1 52 PHE H 1 53 ASP H 3.200 3.200 8.200 4.377 4.354 4.394 . 0 0 "[ . 1 . 2]" 1
245 1 53 ASP HA 1 54 ILE H 0.000 . 2.700 2.205 2.201 2.214 . 0 0 "[ . 1 . 2]" 1
246 1 53 ASP HB3 1 54 ILE H 3.200 3.200 5.000 4.045 3.459 4.237 . 0 0 "[ . 1 . 2]" 1
247 1 53 ASP HB2 1 54 ILE H 3.200 3.200 5.000 4.406 4.318 4.458 . 0 0 "[ . 1 . 2]" 1
248 1 54 ILE H 1 55 ASN H 0.000 . 3.200 2.719 2.700 2.732 . 0 0 "[ . 1 . 2]" 1
249 1 54 ILE HA 1 55 ASN H 3.200 3.200 8.200 3.493 3.483 3.501 . 0 0 "[ . 1 . 2]" 1
250 1 54 ILE HB 1 55 ASN H 3.200 3.200 5.000 4.145 4.115 4.179 . 0 0 "[ . 1 . 2]" 1
251 1 54 ILE MG 1 55 ASN H 0.000 . 4.000 2.328 2.268 2.392 . 0 0 "[ . 1 . 2]" 1
252 1 55 ASN H 1 56 LYS H 0.000 . 2.700 2.727 2.715 2.735 0.035 10 0 "[ . 1 . 2]" 1
253 1 55 ASN HA 1 56 LYS H 3.200 3.200 8.200 3.407 3.396 3.426 . 0 0 "[ . 1 . 2]" 1
254 1 56 LYS H 1 57 PHE H 0.000 . 2.700 2.392 2.384 2.411 . 0 0 "[ . 1 . 2]" 1
255 1 56 LYS HA 1 57 PHE H 3.200 3.200 8.200 3.485 3.482 3.489 . 0 0 "[ . 1 . 2]" 1
256 1 56 LYS HB3 1 57 PHE H 3.200 3.200 5.000 4.031 3.983 4.048 . 0 0 "[ . 1 . 2]" 1
257 1 56 LYS HB2 1 57 PHE H 3.200 3.200 5.000 3.174 3.171 3.182 0.029 16 0 "[ . 1 . 2]" 1
258 1 57 PHE H 1 58 LYS H 3.200 3.200 8.200 4.485 4.477 4.492 . 0 0 "[ . 1 . 2]" 1
259 1 57 PHE HA 1 58 LYS H 0.000 . 2.700 2.560 2.553 2.565 . 0 0 "[ . 1 . 2]" 1
260 1 57 PHE HB3 1 58 LYS H 0.000 . 4.000 2.343 2.329 2.360 . 0 0 "[ . 1 . 2]" 1
261 1 57 PHE HB2 1 58 LYS H 0.000 . 4.000 3.361 3.310 3.400 . 0 0 "[ . 1 . 2]" 1
262 1 58 LYS H 1 59 TYR H 3.200 3.200 5.000 4.268 4.254 4.285 . 0 0 "[ . 1 . 2]" 1
263 1 58 LYS HA 1 59 TYR H 0.000 . 2.700 2.234 2.227 2.241 . 0 0 "[ . 1 . 2]" 1
264 1 59 TYR H 1 60 ILE H 3.200 3.200 5.000 4.523 4.512 4.534 . 0 0 "[ . 1 . 2]" 1
265 1 59 TYR HA 1 60 ILE H 0.000 . 2.700 2.541 2.521 2.559 . 0 0 "[ . 1 . 2]" 1
266 1 59 TYR HB2 1 60 ILE H 0.000 . 3.200 2.440 2.402 2.480 . 0 0 "[ . 1 . 2]" 1
267 1 60 ILE H 1 61 GLU H 3.200 3.200 5.000 4.445 4.430 4.471 . 0 0 "[ . 1 . 2]" 1
268 1 60 ILE HA 1 61 GLU H 0.000 . 2.700 2.219 2.213 2.231 . 0 0 "[ . 1 . 2]" 1
269 1 60 ILE HB 1 61 GLU H 3.200 3.200 5.000 4.221 4.187 4.244 . 0 0 "[ . 1 . 2]" 1
270 1 60 ILE MG 1 61 GLU H 0.000 . 4.000 2.730 2.630 2.784 . 0 0 "[ . 1 . 2]" 1
271 1 61 GLU H 1 62 THR H 3.200 3.200 5.000 4.552 4.540 4.563 . 0 0 "[ . 1 . 2]" 1
272 1 61 GLU HA 1 62 THR H 0.000 . 2.700 2.266 2.251 2.284 . 0 0 "[ . 1 . 2]" 1
273 1 61 GLU HB3 1 62 THR H 3.200 3.200 5.000 3.962 3.881 4.006 . 0 0 "[ . 1 . 2]" 1
274 1 61 GLU HB2 1 62 THR H 3.200 3.200 5.000 4.275 4.239 4.343 . 0 0 "[ . 1 . 2]" 1
275 1 61 GLU QG 1 62 THR H 0.000 . 4.000 2.508 2.403 2.864 . 0 0 "[ . 1 . 2]" 1
276 1 62 THR H 1 63 GLU H 3.200 3.200 5.000 4.467 4.438 4.489 . 0 0 "[ . 1 . 2]" 1
277 1 62 THR HA 1 63 GLU H 0.000 . 2.700 2.227 2.209 2.244 . 0 0 "[ . 1 . 2]" 1
278 1 62 THR HB 1 63 GLU H 0.000 . 3.200 3.168 3.094 3.233 0.033 17 0 "[ . 1 . 2]" 1
279 1 63 GLU H 1 64 ASP H 3.200 3.200 5.000 4.621 4.617 4.627 . 0 0 "[ . 1 . 2]" 1
280 1 63 GLU HA 1 64 ASP H 0.000 . 2.700 2.505 2.499 2.510 . 0 0 "[ . 1 . 2]" 1
281 1 64 ASP H 1 65 PHE H 3.200 3.200 5.000 4.672 4.663 4.675 . 0 0 "[ . 1 . 2]" 1
282 1 64 ASP HA 1 65 PHE H 0.000 . 2.700 2.265 2.257 2.271 . 0 0 "[ . 1 . 2]" 1
283 1 64 ASP HB3 1 65 PHE H 3.200 3.200 5.000 3.130 3.117 3.155 0.083 14 0 "[ . 1 . 2]" 1
284 1 64 ASP HB2 1 65 PHE H 3.200 3.200 5.000 4.072 4.059 4.097 . 0 0 "[ . 1 . 2]" 1
285 1 65 PHE H 1 66 GLU H 3.200 3.200 5.000 4.473 4.463 4.481 . 0 0 "[ . 1 . 2]" 1
286 1 65 PHE HA 1 66 GLU H 0.000 . 2.700 2.439 2.406 2.455 . 0 0 "[ . 1 . 2]" 1
287 1 66 GLU H 1 67 PHE H 3.200 3.200 5.000 4.478 4.463 4.485 . 0 0 "[ . 1 . 2]" 1
288 1 67 PHE QE 1 68 ASN QD 0.000 . 4.000 3.024 2.302 3.834 . 0 0 "[ . 1 . 2]" 1
289 1 66 GLU HA 1 67 PHE H 0.000 . 2.700 2.259 2.244 2.267 . 0 0 "[ . 1 . 2]" 1
290 1 67 PHE HZ 1 68 ASN QD 0.000 . 5.000 3.811 2.934 4.816 . 0 0 "[ . 1 . 2]" 1
291 1 68 ASN HA 1 69 GLY H 2.700 2.700 7.700 2.977 2.956 3.004 . 0 0 "[ . 1 . 2]" 1
292 1 68 ASN QB 1 69 GLY H 3.200 3.200 5.000 3.777 3.754 3.793 . 0 0 "[ . 1 . 2]" 1
293 1 69 GLY H 1 70 LYS H 0.000 . 3.200 2.585 2.575 2.599 . 0 0 "[ . 1 . 2]" 1
294 1 69 GLY HA3 1 70 LYS H 2.700 2.700 7.700 3.468 3.463 3.475 . 0 0 "[ . 1 . 2]" 1
295 1 69 GLY HA2 1 70 LYS H 2.700 2.700 7.700 3.177 3.164 3.190 . 0 0 "[ . 1 . 2]" 1
296 1 70 LYS H 1 71 ARG H 3.200 3.200 8.200 4.464 4.450 4.480 . 0 0 "[ . 1 . 2]" 1
297 1 70 LYS HA 1 71 ARG H 0.000 . 2.700 2.263 2.248 2.282 . 0 0 "[ . 1 . 2]" 1
298 1 71 ARG H 1 72 PHE H 3.200 3.200 8.200 4.541 4.536 4.552 . 0 0 "[ . 1 . 2]" 1
299 1 71 ARG HA 1 72 PHE H 0.000 . 2.700 2.205 2.201 2.209 . 0 0 "[ . 1 . 2]" 1
300 1 72 PHE H 1 73 PHE H 3.200 3.200 5.000 4.498 4.491 4.506 . 0 0 "[ . 1 . 2]" 1
301 1 72 PHE HA 1 73 PHE H 0.000 . 2.700 2.305 2.288 2.325 . 0 0 "[ . 1 . 2]" 1
302 1 73 PHE H 1 74 GLY H 3.200 3.200 5.000 4.637 4.635 4.639 . 0 0 "[ . 1 . 2]" 1
303 1 73 PHE HA 1 74 GLY H 0.000 . 2.700 2.345 2.309 2.366 . 0 0 "[ . 1 . 2]" 1
304 1 74 GLY H 1 75 VAL H 3.200 3.200 5.000 4.660 4.640 4.667 . 0 0 "[ . 1 . 2]" 1
305 1 74 GLY HA3 1 75 VAL H 0.000 . 3.200 2.807 2.719 2.850 . 0 0 "[ . 1 . 2]" 1
306 1 74 GLY HA2 1 75 VAL H 0.000 . 2.700 2.400 2.367 2.470 . 0 0 "[ . 1 . 2]" 1
307 1 75 VAL H 1 76 LYS H 3.200 3.200 5.000 4.454 4.447 4.461 . 0 0 "[ . 1 . 2]" 1
308 1 75 VAL HA 1 76 LYS H 0.000 . 2.700 2.347 2.320 2.387 . 0 0 "[ . 1 . 2]" 1
309 1 75 VAL MG2 1 76 LYS H 0.000 . 4.000 3.696 3.630 3.748 . 0 0 "[ . 1 . 2]" 1
310 1 76 LYS H 1 77 VAL H 3.200 3.200 8.200 4.482 4.463 4.501 . 0 0 "[ . 1 . 2]" 1
311 1 76 LYS HA 1 77 VAL H 0.000 . 2.700 2.248 2.240 2.255 . 0 0 "[ . 1 . 2]" 1
312 1 76 LYS HB3 1 77 VAL H 0.000 . 4.000 3.229 3.195 3.283 . 0 0 "[ . 1 . 2]" 1
313 1 76 LYS HB2 1 77 VAL H 3.200 3.200 8.200 4.178 4.162 4.214 . 0 0 "[ . 1 . 2]" 1
314 1 77 VAL H 1 78 LEU H 3.200 3.200 8.200 4.396 4.387 4.405 . 0 0 "[ . 1 . 2]" 1
315 1 77 VAL HA 1 78 LEU H 0.000 . 2.700 2.243 2.232 2.252 . 0 0 "[ . 1 . 2]" 1
316 1 78 LEU H 1 79 PRO HD3 3.200 3.200 8.200 4.365 4.356 4.380 . 0 0 "[ . 1 . 2]" 1
317 1 78 LEU H 1 79 PRO HD2 3.200 3.200 8.200 5.324 5.319 5.328 . 0 0 "[ . 1 . 2]" 1
318 1 78 LEU HA 1 79 PRO QD 0.000 . 3.500 1.984 1.981 1.988 . 0 0 "[ . 1 . 2]" 1
319 1 78 LEU MD1 1 79 PRO QD 0.000 . 5.600 2.212 2.188 2.231 . 0 0 "[ . 1 . 2]" 1
320 1 79 PRO HA 1 80 ILE H 0.000 . 2.700 2.274 2.270 2.279 . 0 0 "[ . 1 . 2]" 1
321 1 80 ILE H 1 81 LYS H 3.200 3.200 8.200 4.461 4.458 4.463 . 0 0 "[ . 1 . 2]" 1
322 1 80 ILE HA 1 81 LYS H 0.000 . 2.700 2.443 2.436 2.452 . 0 0 "[ . 1 . 2]" 1
323 1 80 ILE HB 1 81 LYS H 0.000 . 3.200 2.563 2.551 2.576 . 0 0 "[ . 1 . 2]" 1
324 1 81 LYS H 1 82 ILE H 3.200 3.200 8.200 4.450 4.429 4.458 . 0 0 "[ . 1 . 2]" 1
325 1 81 LYS HA 1 82 ILE H 0.000 . 2.700 2.232 2.228 2.236 . 0 0 "[ . 1 . 2]" 1
326 1 82 ILE H 1 83 LEU H 3.200 3.200 8.200 4.419 4.407 4.458 . 0 0 "[ . 1 . 2]" 1
327 1 82 ILE HA 1 83 LEU H 0.000 . 2.700 2.198 2.195 2.203 . 0 0 "[ . 1 . 2]" 1
328 1 83 LEU H 1 84 ILE H 3.200 3.200 8.200 4.327 4.317 4.339 . 0 0 "[ . 1 . 2]" 1
329 1 83 LEU HA 1 84 ILE H 0.000 . 2.700 2.206 2.204 2.213 . 0 0 "[ . 1 . 2]" 1
330 1 84 ILE H 1 85 GLY H 3.200 3.200 8.200 4.248 4.244 4.252 . 0 0 "[ . 1 . 2]" 1
331 1 86 ASN HA 1 87 LYS H 2.700 2.700 7.700 3.172 3.156 3.179 . 0 0 "[ . 1 . 2]" 1
332 1 86 ASN HB3 1 87 LYS H 3.200 3.200 5.000 4.393 3.865 4.575 . 0 0 "[ . 1 . 2]" 1
333 1 86 ASN HB2 1 87 LYS H 3.200 3.200 5.000 4.089 3.879 4.483 . 0 0 "[ . 1 . 2]" 1
334 1 87 LYS H 1 88 LYS H 3.200 3.200 8.200 4.488 4.482 4.494 . 0 0 "[ . 1 . 2]" 1
335 1 87 LYS HA 1 88 LYS H 0.000 . 2.700 2.258 2.253 2.269 . 0 0 "[ . 1 . 2]" 1
336 1 88 LYS H 1 89 ILE H 3.200 3.200 8.200 4.383 4.377 4.392 . 0 0 "[ . 1 . 2]" 1
337 1 88 LYS HA 1 89 ILE H 0.000 . 2.700 2.185 2.183 2.189 . 0 0 "[ . 1 . 2]" 1
338 1 89 ILE H 1 90 ASP H 3.200 3.200 8.200 4.455 4.444 4.466 . 0 0 "[ . 1 . 2]" 1
339 1 89 ILE HA 1 90 ASP H 0.000 . 2.700 2.272 2.259 2.292 . 0 0 "[ . 1 . 2]" 1
340 1 90 ASP H 1 91 GLY H 3.200 3.200 8.200 4.635 4.628 4.646 . 0 0 "[ . 1 . 2]" 1
341 1 90 ASP HA 1 91 GLY H 0.000 . 2.700 2.232 2.226 2.243 . 0 0 "[ . 1 . 2]" 1
342 1 90 ASP HB2 1 91 GLY H 3.200 3.200 5.000 4.202 4.174 4.221 . 0 0 "[ . 1 . 2]" 1
343 1 90 ASP HB3 1 91 GLY H 0.000 . 4.000 3.255 3.205 3.287 . 0 0 "[ . 1 . 2]" 1
344 1 91 GLY H 1 92 ALA H 3.200 3.200 8.200 4.327 4.301 4.350 . 0 0 "[ . 1 . 2]" 1
345 1 91 GLY HA3 1 92 ALA H 0.000 . 2.700 2.458 2.427 2.488 . 0 0 "[ . 1 . 2]" 1
346 1 91 GLY HA2 1 92 ALA H 0.000 . 3.200 2.766 2.729 2.805 . 0 0 "[ . 1 . 2]" 1
347 1 92 ALA H 1 93 ILE H 3.200 3.200 8.200 4.366 4.360 4.375 . 0 0 "[ . 1 . 2]" 1
348 1 92 ALA HA 1 93 ILE H 0.000 . 2.700 2.326 2.317 2.339 . 0 0 "[ . 1 . 2]" 1
349 1 93 ILE H 1 94 VAL H 3.200 3.200 8.200 4.526 4.521 4.531 . 0 0 "[ . 1 . 2]" 1
350 1 93 ILE HA 1 94 VAL H 0.000 . 2.700 2.270 2.264 2.277 . 0 0 "[ . 1 . 2]" 1
351 1 94 VAL H 1 95 VAL H 3.200 3.200 8.200 4.374 4.340 4.396 . 0 0 "[ . 1 . 2]" 1
352 1 94 VAL HA 1 95 VAL H 0.000 . 2.700 2.201 2.195 2.206 . 0 0 "[ . 1 . 2]" 1
353 1 95 VAL H 1 96 PRO HD3 3.200 3.200 8.200 4.483 4.376 4.544 . 0 0 "[ . 1 . 2]" 1
354 1 95 VAL H 1 96 PRO HD2 3.200 3.200 8.200 5.268 5.258 5.274 . 0 0 "[ . 1 . 2]" 1
355 1 95 VAL HA 1 96 PRO HD3 0.000 . 2.700 2.044 2.040 2.051 . 0 0 "[ . 1 . 2]" 1
356 1 95 VAL HA 1 96 PRO HD2 0.000 . 2.700 2.754 2.729 2.769 0.069 1 0 "[ . 1 . 2]" 1
357 1 96 PRO HA 1 97 LYS H 0.000 . 2.700 2.325 2.311 2.336 . 0 0 "[ . 1 . 2]" 1
358 1 102 SER HA 1 103 SER H 0.000 . 2.700 2.311 2.282 2.345 . 0 0 "[ . 1 . 2]" 1
359 1 102 SER QB 1 103 SER H 0.000 . 4.000 2.870 2.743 2.977 . 0 0 "[ . 1 . 2]" 1
360 1 103 SER H 1 104 GLU H 3.200 3.200 8.200 4.467 4.459 4.476 . 0 0 "[ . 1 . 2]" 1
361 1 103 SER HA 1 104 GLU H 0.000 . 2.700 2.484 2.380 2.522 . 0 0 "[ . 1 . 2]" 1
362 1 104 GLU H 1 105 ILE H 0.000 . 3.200 2.715 2.691 2.731 . 0 0 "[ . 1 . 2]" 1
363 1 104 GLU HA 1 105 ILE H 2.700 2.700 7.700 3.070 3.050 3.108 . 0 0 "[ . 1 . 2]" 1
364 1 104 GLU QB 1 105 ILE H 3.200 3.200 5.000 3.716 3.694 3.727 . 0 0 "[ . 1 . 2]" 1
365 1 105 ILE H 1 106 ILE H 3.200 3.200 8.200 4.341 4.331 4.358 . 0 0 "[ . 1 . 2]" 1
366 1 105 ILE HA 1 106 ILE H 0.000 . 2.700 2.202 2.199 2.204 . 0 0 "[ . 1 . 2]" 1
367 1 105 ILE HB 1 106 ILE H 3.200 3.200 5.000 4.248 4.238 4.257 . 0 0 "[ . 1 . 2]" 1
368 1 106 ILE H 1 107 GLU H 3.200 3.200 8.200 4.474 4.463 4.483 . 0 0 "[ . 1 . 2]" 1
369 1 106 ILE HA 1 107 GLU H 0.000 . 2.700 2.265 2.254 2.288 . 0 0 "[ . 1 . 2]" 1
370 1 107 GLU H 1 108 ILE H 3.200 3.200 8.200 4.443 4.431 4.464 . 0 0 "[ . 1 . 2]" 1
371 1 107 GLU HA 1 108 ILE H 0.000 . 2.700 2.204 2.200 2.211 . 0 0 "[ . 1 . 2]" 1
372 1 108 ILE H 1 109 ILE H 3.200 3.200 8.200 4.515 4.496 4.521 . 0 0 "[ . 1 . 2]" 1
373 1 108 ILE HA 1 109 ILE H 0.000 . 2.700 2.282 2.270 2.291 . 0 0 "[ . 1 . 2]" 1
374 1 109 ILE H 1 110 ALA H 3.200 3.200 8.200 4.538 4.530 4.542 . 0 0 "[ . 1 . 2]" 1
375 1 110 ALA HA 1 111 PRO QD 0.000 . 2.700 2.078 2.045 2.097 . 0 0 "[ . 1 . 2]" 1
376 1 110 ALA MB 1 111 PRO QD 0.000 . 3.500 2.251 2.169 2.355 . 0 0 "[ . 1 . 2]" 1
377 1 109 ILE HA 1 110 ALA H 0.000 . 2.700 2.365 2.351 2.376 . 0 0 "[ . 1 . 2]" 1
378 1 110 ALA H 1 111 PRO QD 3.200 3.200 8.200 4.457 4.448 4.461 . 0 0 "[ . 1 . 2]" 1
379 1 111 PRO HA 1 112 MET H 3.200 3.200 8.200 3.538 3.534 3.547 . 0 0 "[ . 1 . 2]" 1
380 1 111 PRO QD 1 112 MET H 3.200 3.200 5.000 2.611 2.573 2.643 0.627 7 20 [******+****-********] 1
381 1 113 LYS HA 1 114 LEU H 0.000 . 2.700 2.210 2.162 2.257 . 0 0 "[ . 1 . 2]" 1
382 1 115 ARG HA 1 116 GLU H 3.200 3.200 8.200 3.540 3.530 3.553 . 0 0 "[ . 1 . 2]" 1
383 1 115 ARG H 1 116 GLU H 0.000 . 3.200 2.707 2.668 2.748 . 0 0 "[ . 1 . 2]" 1
384 1 116 GLU H 1 117 GLN H 0.000 . 2.700 2.499 2.472 2.533 . 0 0 "[ . 1 . 2]" 1
385 1 116 GLU HA 1 117 GLN H 3.200 3.200 8.200 3.569 3.562 3.578 . 0 0 "[ . 1 . 2]" 1
386 1 116 GLU QB 1 117 GLN H 0.000 . 4.000 2.411 2.353 2.490 . 0 0 "[ . 1 . 2]" 1
387 1 117 GLN H 1 118 PHE H 0.000 . 2.700 2.710 2.702 2.721 0.021 7 0 "[ . 1 . 2]" 1
388 1 117 GLN HA 1 118 PHE H 3.200 3.200 8.200 3.540 3.534 3.546 . 0 0 "[ . 1 . 2]" 1
389 1 117 GLN HB3 1 118 PHE H 0.000 . 4.000 3.745 3.723 3.760 . 0 0 "[ . 1 . 2]" 1
390 1 117 GLN HB2 1 118 PHE H 0.000 . 4.000 2.759 2.728 2.808 . 0 0 "[ . 1 . 2]" 1
391 1 118 PHE H 1 119 ASN H 0.000 . 2.700 2.468 2.454 2.482 . 0 0 "[ . 1 . 2]" 1
392 1 118 PHE HA 1 119 ASN H 3.200 3.200 8.200 3.293 3.280 3.304 . 0 0 "[ . 1 . 2]" 1
393 1 118 PHE HB3 1 119 ASN H 3.200 3.200 8.200 4.291 4.270 4.304 . 0 0 "[ . 1 . 2]" 1
394 1 118 PHE HB2 1 119 ASN H 3.200 3.200 8.200 3.692 3.675 3.717 . 0 0 "[ . 1 . 2]" 1
395 1 119 ASN H 1 120 LEU H 2.700 2.700 3.200 2.999 2.961 3.034 . 0 0 "[ . 1 . 2]" 1
396 1 119 ASN HA 1 120 LEU H 2.700 2.700 7.700 2.726 2.688 2.779 0.012 7 0 "[ . 1 . 2]" 1
397 1 119 ASN HB3 1 120 LEU H 3.200 3.200 8.200 4.458 4.447 4.470 . 0 0 "[ . 1 . 2]" 1
398 1 119 ASN HB2 1 120 LEU H 3.200 3.200 8.200 4.359 4.312 4.392 . 0 0 "[ . 1 . 2]" 1
399 1 120 LEU H 1 121 LYS H 3.200 3.200 8.200 4.583 4.579 4.587 . 0 0 "[ . 1 . 2]" 1
400 1 120 LEU HA 1 121 LYS H 0.000 . 2.700 2.217 2.212 2.225 . 0 0 "[ . 1 . 2]" 1
401 1 120 LEU MD2 1 121 LYS H 0.000 . 4.000 3.348 3.344 3.356 . 0 0 "[ . 1 . 2]" 1
402 1 121 LYS H 1 122 ASP H 3.200 3.200 8.200 4.532 4.518 4.542 . 0 0 "[ . 1 . 2]" 1
403 1 121 LYS HA 1 122 ASP H 0.000 . 2.700 2.372 2.351 2.391 . 0 0 "[ . 1 . 2]" 1
404 1 121 LYS QB 1 122 ASP H 0.000 . 4.000 2.880 2.642 3.464 . 0 0 "[ . 1 . 2]" 1
405 1 122 ASP H 1 123 GLY H 3.200 3.200 8.200 4.675 4.673 4.677 . 0 0 "[ . 1 . 2]" 1
406 1 122 ASP HA 1 123 GLY H 0.000 . 2.700 2.236 2.234 2.239 . 0 0 "[ . 1 . 2]" 1
407 1 123 GLY H 1 124 ASP H 0.000 . 2.700 2.742 2.734 2.750 0.050 3 0 "[ . 1 . 2]" 1
408 1 123 GLY HA3 1 124 ASP H 3.200 3.200 8.200 3.099 3.092 3.105 0.108 20 0 "[ . 1 . 2]" 1
409 1 123 GLY HA2 1 124 ASP H 3.200 3.200 8.200 3.505 3.502 3.507 . 0 0 "[ . 1 . 2]" 1
410 1 124 ASP H 1 125 VAL H 3.200 3.200 8.200 4.697 4.695 4.698 . 0 0 "[ . 1 . 2]" 1
411 1 124 ASP HA 1 125 VAL H 0.000 . 2.700 2.357 2.332 2.388 . 0 0 "[ . 1 . 2]" 1
412 1 125 VAL H 1 126 ILE H 3.200 3.200 8.200 4.451 4.443 4.461 . 0 0 "[ . 1 . 2]" 1
413 1 125 VAL HA 1 126 ILE H 0.000 . 2.700 2.199 2.196 2.200 . 0 0 "[ . 1 . 2]" 1
414 1 125 VAL MG1 1 126 ILE H 0.000 . 4.000 2.720 2.702 2.739 . 0 0 "[ . 1 . 2]" 1
415 1 126 ILE H 1 127 LYS H 3.200 3.200 8.200 4.494 4.485 4.496 . 0 0 "[ . 1 . 2]" 1
416 1 126 ILE HA 1 127 LYS H 0.000 . 2.700 2.424 2.415 2.462 . 0 0 "[ . 1 . 2]" 1
417 1 126 ILE HB 1 127 LYS H 0.000 . 3.200 2.632 2.543 2.654 . 0 0 "[ . 1 . 2]" 1
418 1 127 LYS H 1 128 ILE H 3.200 3.200 8.200 4.506 4.500 4.523 . 0 0 "[ . 1 . 2]" 1
419 1 127 LYS HA 1 128 ILE H 0.000 . 2.700 2.235 2.231 2.247 . 0 0 "[ . 1 . 2]" 1
420 1 128 ILE H 1 129 LEU H 3.200 3.200 8.200 4.496 4.474 4.521 . 0 0 "[ . 1 . 2]" 1
421 1 128 ILE HA 1 129 LEU H 0.000 . 2.700 2.219 2.207 2.239 . 0 0 "[ . 1 . 2]" 1
422 1 128 ILE MG 1 129 LEU H 0.000 . 4.800 3.925 3.909 3.932 . 0 0 "[ . 1 . 2]" 1
423 1 129 LEU H 1 130 ILE H 3.200 3.200 8.200 4.461 4.418 4.558 . 0 0 "[ . 1 . 2]" 1
424 1 129 LEU HA 1 130 ILE H 0.000 . 2.700 2.213 2.200 2.259 . 0 0 "[ . 1 . 2]" 1
425 1 130 ILE H 1 131 LYS H 3.200 3.200 8.200 4.375 4.275 4.480 . 0 0 "[ . 1 . 2]" 1
426 1 130 ILE HA 1 131 LYS H 0.000 . 2.700 2.209 2.191 2.252 . 0 0 "[ . 1 . 2]" 1
427 1 131 LYS H 1 132 GLY H 3.200 3.200 8.200 4.591 4.411 4.625 . 0 0 "[ . 1 . 2]" 1
428 1 131 LYS HA 1 132 GLY H 0.000 . 2.700 2.287 2.202 2.357 . 0 0 "[ . 1 . 2]" 1
429 1 132 GLY H 1 133 ASP H 3.200 3.200 8.200 4.288 4.062 4.406 . 0 0 "[ . 1 . 2]" 1
430 1 7 ILE MG 1 9 GLY H 0.000 . 4.800 4.676 4.611 4.746 . 0 0 "[ . 1 . 2]" 1
431 1 25 PRO HA 1 28 LYS QB 0.000 . 4.000 3.327 3.148 3.461 . 0 0 "[ . 1 . 2]" 1
432 1 25 PRO HA 1 28 LYS H 0.000 . 3.500 3.961 3.694 4.022 0.522 10 11 "[*** *****+ * .- 2]" 1
433 1 30 ILE HA 1 33 LYS QB 0.000 . 3.500 2.663 2.569 2.826 . 0 0 "[ . 1 . 2]" 1
434 1 27 TYR HA 1 30 ILE H 0.000 . 4.000 3.815 3.666 4.027 0.027 17 0 "[ . 1 . 2]" 1
435 1 28 LYS HA 1 31 PHE HB3 0.000 . 4.000 4.049 4.021 4.199 0.199 10 0 "[ . 1 . 2]" 1
436 1 31 PHE HB3 1 35 LEU MD1 0.000 . 4.000 2.847 2.422 3.132 . 0 0 "[ . 1 . 2]" 1
437 1 28 LYS HA 1 31 PHE HB2 0.000 . 3.200 2.726 2.641 2.829 . 0 0 "[ . 1 . 2]" 1
438 1 31 PHE H 1 33 LYS H 3.200 3.200 5.000 4.055 4.005 4.173 . 0 0 "[ . 1 . 2]" 1
439 1 30 ILE HA 1 33 LYS H 0.000 . 4.000 3.427 3.247 3.577 . 0 0 "[ . 1 . 2]" 1
440 1 33 LYS H 1 35 LEU H 3.200 3.200 5.000 4.094 4.058 4.136 . 0 0 "[ . 1 . 2]" 1
441 1 31 PHE HA 1 34 ILE HB 0.000 . 4.000 3.072 2.861 3.165 . 0 0 "[ . 1 . 2]" 1
442 1 30 ILE HA 1 34 ILE H 0.000 . 4.000 4.373 4.324 4.465 0.465 10 0 "[ . 1 . 2]" 1
443 1 31 PHE HA 1 34 ILE H 0.000 . 3.500 3.509 3.316 3.565 0.065 18 0 "[ . 1 . 2]" 1
444 1 35 LEU HB3 1 37 PHE H 0.000 . 3.200 3.167 3.070 3.220 0.020 12 0 "[ . 1 . 2]" 1
445 1 35 LEU HB2 1 37 PHE H 0.000 . 3.200 2.467 2.449 2.488 . 0 0 "[ . 1 . 2]" 1
446 1 31 PHE HA 1 35 LEU MD1 0.000 . 4.800 3.114 2.863 3.534 . 0 0 "[ . 1 . 2]" 1
447 1 35 LEU MD1 1 37 PHE HD1 0.000 . 4.800 4.009 3.930 4.031 . 0 0 "[ . 1 . 2]" 1
448 1 31 PHE HA 1 35 LEU H 0.000 . 4.000 4.001 3.949 4.038 0.038 12 0 "[ . 1 . 2]" 1
449 1 32 LYS HA 1 35 LEU H 0.000 . 3.500 3.556 3.532 3.615 0.115 19 0 "[ . 1 . 2]" 1
450 1 35 LEU H 1 37 PHE H 3.200 3.200 5.000 3.694 3.648 3.772 . 0 0 "[ . 1 . 2]" 1
451 1 32 LYS HA 1 36 GLY H 0.000 . 3.500 2.956 2.842 3.155 . 0 0 "[ . 1 . 2]" 1
452 1 33 LYS HA 1 36 GLY H 0.000 . 4.000 4.059 4.024 4.079 0.079 1 0 "[ . 1 . 2]" 1
453 1 35 LEU HA 1 37 PHE H 0.000 . 4.500 4.438 4.383 4.461 . 0 0 "[ . 1 . 2]" 1
454 1 35 LEU MD1 1 37 PHE H 0.000 . 4.800 4.031 4.000 4.046 . 0 0 "[ . 1 . 2]" 1
455 1 37 PHE HE1 1 39 PRO HA 0.000 . 2.700 2.750 2.730 2.768 0.068 10 0 "[ . 1 . 2]" 1
456 1 40 TYR QE 1 42 GLY QA 0.000 . 4.000 3.854 3.849 3.861 . 0 0 "[ . 1 . 2]" 1
457 1 40 TYR QB 1 42 GLY H 0.000 . 4.000 3.941 3.938 3.945 . 0 0 "[ . 1 . 2]" 1
458 1 48 LEU HB3 1 50 ARG H 0.000 . 4.000 2.366 2.315 2.383 . 0 0 "[ . 1 . 2]" 1
459 1 48 LEU HB2 1 50 ARG H 0.000 . 3.200 2.880 2.832 2.895 . 0 0 "[ . 1 . 2]" 1
460 1 48 LEU MD1 1 50 ARG H 0.000 . 4.800 4.019 4.015 4.030 . 0 0 "[ . 1 . 2]" 1
461 1 48 LEU MD2 1 50 ARG H 0.000 . 5.800 4.175 4.120 4.199 . 0 0 "[ . 1 . 2]" 1
462 1 48 LEU H 1 50 ARG H 3.200 3.200 5.000 4.509 4.497 4.519 . 0 0 "[ . 1 . 2]" 1
463 1 48 LEU MD1 1 52 PHE H 0.000 . 5.800 4.734 4.547 4.828 . 0 0 "[ . 1 . 2]" 1
464 1 52 PHE HZ 1 54 ILE HA 0.000 . 4.000 4.011 3.999 4.016 0.016 6 0 "[ . 1 . 2]" 1
465 1 53 ASP HA 1 55 ASN H 0.000 . 4.000 3.811 3.748 3.889 . 0 0 "[ . 1 . 2]" 1
466 1 53 ASP QB 1 55 ASN H 0.000 . 4.800 3.446 2.806 3.681 . 0 0 "[ . 1 . 2]" 1
467 1 54 ILE HA 1 56 LYS H 0.000 . 4.000 3.643 3.624 3.681 . 0 0 "[ . 1 . 2]" 1
468 1 54 ILE MG 1 56 LYS H 0.000 . 5.800 4.411 4.376 4.453 . 0 0 "[ . 1 . 2]" 1
469 1 55 ASN HA 1 57 PHE H 0.000 . 4.000 3.812 3.777 3.882 . 0 0 "[ . 1 . 2]" 1
470 1 55 ASN QB 1 57 PHE H 0.000 . 5.800 4.851 4.833 4.874 . 0 0 "[ . 1 . 2]" 1
471 1 55 ASN H 1 57 PHE H 3.200 3.200 5.000 4.330 4.277 4.425 . 0 0 "[ . 1 . 2]" 1
472 1 57 PHE HB3 1 59 TYR H 0.000 . 5.000 5.458 5.382 5.505 0.505 10 2 "[ - . + . 2]" 1
473 1 57 PHE HB2 1 59 TYR H 0.000 . 5.000 4.969 4.899 5.010 0.010 6 0 "[ . 1 . 2]" 1
474 1 65 PHE QE 1 67 PHE QB 0.000 . 4.000 3.422 3.227 3.511 . 0 0 "[ . 1 . 2]" 1
475 1 67 PHE H 1 70 LYS H 0.000 . 3.500 2.822 2.797 2.857 . 0 0 "[ . 1 . 2]" 1
476 1 67 PHE H 1 71 ARG HA 0.000 . 3.500 3.997 3.964 4.018 0.518 17 8 "[ *. ** ** . +* -]" 1
477 1 66 GLU HA 1 70 LYS H 0.000 . 4.500 4.456 4.411 4.486 . 0 0 "[ . 1 . 2]" 1
478 1 66 GLU QB 1 70 LYS H 0.000 . 4.800 4.124 4.069 4.189 . 0 0 "[ . 1 . 2]" 1
479 1 66 GLU QG 1 70 LYS H 0.000 . 4.800 4.321 4.318 4.323 . 0 0 "[ . 1 . 2]" 1
480 1 67 PHE QB 1 70 LYS H 0.000 . 5.000 4.296 4.260 4.353 . 0 0 "[ . 1 . 2]" 1
481 1 68 ASN QB 1 70 LYS H 0.000 . 4.000 3.697 3.599 3.739 . 0 0 "[ . 1 . 2]" 1
482 1 70 LYS HB3 1 72 PHE QE 0.000 . 3.200 3.085 3.023 3.185 . 0 0 "[ . 1 . 2]" 1
483 1 70 LYS HB2 1 72 PHE QE 0.000 . 4.000 2.058 2.042 2.170 . 0 0 "[ . 1 . 2]" 1
484 1 70 LYS HG3 1 72 PHE QE 3.200 3.200 5.000 4.369 4.227 4.484 . 0 0 "[ . 1 . 2]" 1
485 1 70 LYS HG2 1 72 PHE QE 3.200 3.200 5.000 4.870 4.534 4.945 . 0 0 "[ . 1 . 2]" 1
486 1 70 LYS QB 1 72 PHE HZ 0.000 . 4.000 2.818 2.723 2.944 . 0 0 "[ . 1 . 2]" 1
487 1 84 ILE H 1 87 LYS HB2 0.000 . 4.000 4.011 4.003 4.018 0.018 11 0 "[ . 1 . 2]" 1
488 1 84 ILE H 1 87 LYS H 0.000 . 3.500 3.535 3.531 3.544 0.044 17 0 "[ . 1 . 2]" 1
489 1 84 ILE H 1 88 LYS HA 0.000 . 3.500 3.503 3.474 3.511 0.011 17 0 "[ . 1 . 2]" 1
490 1 83 LEU HA 1 87 LYS H 0.000 . 5.000 4.890 4.875 4.905 . 0 0 "[ . 1 . 2]" 1
491 1 85 GLY QA 1 87 LYS H 0.000 . 4.800 3.477 3.468 3.493 . 0 0 "[ . 1 . 2]" 1
492 1 103 SER HB3 1 105 ILE H 0.000 . 4.000 3.050 2.687 4.053 0.053 14 0 "[ . 1 . 2]" 1
493 1 103 SER HB2 1 105 ILE H 0.000 . 4.000 2.965 2.680 4.047 0.047 15 0 "[ . 1 . 2]" 1
494 1 110 ALA MB 1 112 MET H 0.000 . 4.000 2.563 2.425 2.763 . 0 0 "[ . 1 . 2]" 1
495 1 114 LEU HA 1 117 GLN HB2 0.000 . 3.200 2.672 2.582 2.797 . 0 0 "[ . 1 . 2]" 1
496 1 113 LYS QE 1 117 GLN H 0.000 . 5.800 4.684 4.404 5.272 . 0 0 "[ . 1 . 2]" 1
497 1 113 LYS QG 1 117 GLN H 0.000 . 5.800 4.126 3.249 5.285 . 0 0 "[ . 1 . 2]" 1
498 1 114 LEU HA 1 117 GLN H 0.000 . 3.500 3.533 3.499 3.603 0.103 20 0 "[ . 1 . 2]" 1
499 1 114 LEU HA 1 118 PHE H 0.000 . 4.000 3.965 3.802 4.007 0.007 6 0 "[ . 1 . 2]" 1
500 1 115 ARG HA 1 118 PHE H 0.000 . 4.000 4.058 4.042 4.069 0.069 18 0 "[ . 1 . 2]" 1
501 1 118 PHE H 1 120 LEU H 3.200 3.200 5.000 3.939 3.876 4.027 . 0 0 "[ . 1 . 2]" 1
502 1 116 GLU HA 1 119 ASN H 0.000 . 4.000 3.596 3.525 3.664 . 0 0 "[ . 1 . 2]" 1
503 1 117 GLN HB2 1 119 ASN H 0.000 . 5.000 4.964 4.934 5.005 0.005 2 0 "[ . 1 . 2]" 1
504 1 116 GLU HA 1 120 LEU H 0.000 . 4.500 4.455 4.374 4.513 0.013 20 0 "[ . 1 . 2]" 1
505 1 118 PHE HB3 1 120 LEU H 0.000 . 5.000 4.519 4.347 4.655 . 0 0 "[ . 1 . 2]" 1
506 1 121 LYS H 1 124 ASP HB2 0.000 . 3.200 3.222 3.211 3.230 0.030 20 0 "[ . 1 . 2]" 1
507 1 121 LYS H 1 124 ASP H 0.000 . 4.500 4.358 4.336 4.368 . 0 0 "[ . 1 . 2]" 1
508 1 121 LYS QB 1 124 ASP H 0.000 . 4.800 4.298 4.291 4.308 . 0 0 "[ . 1 . 2]" 1
509 1 122 ASP HA 1 124 ASP H 0.000 . 3.500 3.504 3.501 3.507 0.007 17 0 "[ . 1 . 2]" 1
510 1 5 MET H 1 130 ILE HB 0.000 . 4.000 3.487 3.295 3.610 . 0 0 "[ . 1 . 2]" 1
511 1 5 MET H 1 130 ILE MD 0.000 . 5.800 4.834 4.688 4.864 . 0 0 "[ . 1 . 2]" 1
512 1 5 MET H 1 130 ILE H 0.000 . 3.500 3.489 3.324 3.536 0.036 10 0 "[ . 1 . 2]" 1
513 1 5 MET H 1 131 LYS HA 0.000 . 4.000 3.946 3.813 4.013 0.013 3 0 "[ . 1 . 2]" 1
514 1 7 ILE MG 1 48 LEU MD2 0.000 . 4.800 1.910 1.853 2.011 . 0 0 "[ . 1 . 2]" 1
515 1 7 ILE MG 1 50 ARG QD 0.000 . 4.000 2.980 2.976 2.983 . 0 0 "[ . 1 . 2]" 1
516 1 7 ILE H 1 127 LYS QB 0.000 . 5.800 4.882 4.772 5.016 . 0 0 "[ . 1 . 2]" 1
517 1 7 ILE H 1 128 ILE H 0.000 . 3.500 3.444 3.379 3.520 0.020 10 0 "[ . 1 . 2]" 1
518 1 7 ILE H 1 129 LEU HA 0.000 . 4.000 4.027 4.003 4.088 0.088 9 0 "[ . 1 . 2]" 1
519 1 8 GLU HA 1 127 LYS HA 0.000 . 2.700 2.505 2.401 2.559 . 0 0 "[ . 1 . 2]" 1
520 1 8 GLU QG 1 127 LYS QD 0.000 . 4.800 3.582 3.231 3.765 . 0 0 "[ . 1 . 2]" 1
521 1 8 GLU QG 1 127 LYS QG 0.000 . 4.800 2.049 2.022 2.134 . 0 0 "[ . 1 . 2]" 1
522 1 8 GLU H 1 48 LEU MD2 0.000 . 4.800 3.652 3.600 3.708 . 0 0 "[ . 1 . 2]" 1
523 1 9 GLY H 1 125 VAL MG1 0.000 . 4.000 3.340 3.337 3.344 . 0 0 "[ . 1 . 2]" 1
524 1 9 GLY H 1 126 ILE QG 0.000 . 4.800 3.480 3.451 3.585 . 0 0 "[ . 1 . 2]" 1
525 1 9 GLY H 1 126 ILE H 0.000 . 3.500 3.410 3.343 3.450 . 0 0 "[ . 1 . 2]" 1
526 1 9 GLY H 1 127 LYS HA 0.000 . 3.500 3.515 3.509 3.525 0.025 6 0 "[ . 1 . 2]" 1
527 1 9 GLY H 1 127 LYS QG 0.000 . 5.800 4.530 4.503 4.637 . 0 0 "[ . 1 . 2]" 1
528 1 9 GLY H 1 46 LEU MD2 0.000 . 4.800 4.004 3.999 4.010 . 0 0 "[ . 1 . 2]" 1
529 1 10 GLU HA 1 125 VAL MG1 0.000 . 4.800 3.526 3.492 3.570 . 0 0 "[ . 1 . 2]" 1
530 1 10 GLU HA 1 125 VAL MG2 0.000 . 4.000 3.103 3.015 3.167 . 0 0 "[ . 1 . 2]" 1
531 1 10 GLU HA 1 46 LEU MD2 0.000 . 4.800 3.272 3.230 3.358 . 0 0 "[ . 1 . 2]" 1
532 1 10 GLU QG 1 125 VAL MG2 0.000 . 4.800 2.476 2.313 2.590 . 0 0 "[ . 1 . 2]" 1
533 1 10 GLU H 1 46 LEU HA 0.000 . 4.000 4.044 4.039 4.048 0.048 4 0 "[ . 1 . 2]" 1
534 1 10 GLU H 1 47 LYS HB3 0.000 . 4.000 3.480 3.450 3.562 . 0 0 "[ . 1 . 2]" 1
535 1 10 GLU H 1 47 LYS QD 0.000 . 4.800 5.178 5.143 5.182 0.382 2 0 "[ . 1 . 2]" 1
536 1 10 GLU H 1 47 LYS H 0.000 . 3.500 2.916 2.895 2.963 . 0 0 "[ . 1 . 2]" 1
537 1 10 GLU H 1 48 LEU HA 0.000 . 4.000 4.017 4.010 4.026 0.026 10 0 "[ . 1 . 2]" 1
538 1 10 GLU H 1 48 LEU MD2 0.000 . 4.800 3.817 3.785 3.836 . 0 0 "[ . 1 . 2]" 1
539 1 11 VAL HB 1 123 GLY HA2 0.000 . 5.000 4.307 4.285 4.329 . 0 0 "[ . 1 . 2]" 1
540 1 11 VAL HB 1 124 ASP HB2 0.000 . 5.000 3.426 3.335 3.513 . 0 0 "[ . 1 . 2]" 1
541 1 11 VAL MG2 1 46 LEU MD2 0.000 . 4.200 2.555 2.458 2.675 . 0 0 "[ . 1 . 2]" 1
542 1 11 VAL H 1 123 GLY QA 0.000 . 5.800 4.201 4.160 4.242 . 0 0 "[ . 1 . 2]" 1
543 1 11 VAL H 1 124 ASP H 0.000 . 4.000 3.931 3.897 3.970 . 0 0 "[ . 1 . 2]" 1
544 1 11 VAL H 1 125 VAL HA 0.000 . 3.500 3.511 3.501 3.521 0.021 10 0 "[ . 1 . 2]" 1
545 1 11 VAL H 1 46 LEU MD2 0.000 . 4.800 3.162 3.103 3.254 . 0 0 "[ . 1 . 2]" 1
546 1 12 VAL MG2 1 46 LEU HA 0.000 . 4.000 2.533 2.480 2.573 . 0 0 "[ . 1 . 2]" 1
547 1 12 VAL MG2 1 47 LYS HB3 0.000 . 4.800 3.862 3.591 4.004 . 0 0 "[ . 1 . 2]" 1
548 1 12 VAL MG2 1 47 LYS HB2 0.000 . 4.800 2.810 2.532 2.991 . 0 0 "[ . 1 . 2]" 1
549 1 12 VAL H 1 46 LEU HA 0.000 . 3.500 3.203 3.138 3.244 . 0 0 "[ . 1 . 2]" 1
550 1 12 VAL H 1 46 LEU MD2 0.000 . 4.000 3.329 3.237 3.343 . 0 0 "[ . 1 . 2]" 1
551 1 20 TYR QE 1 43 THR MG 0.000 . 4.000 3.234 2.948 3.328 . 0 0 "[ . 1 . 2]" 1
552 1 22 LEU QD 1 27 TYR HD1 0.000 . 5.500 3.702 2.215 4.111 . 0 0 "[ . 1 . 2]" 1
553 1 22 LEU QD 1 31 PHE HE2 0.000 . 4.300 2.088 1.831 3.196 . 0 0 "[ . 1 . 2]" 1
554 1 22 LEU HA 1 27 TYR HD2 0.000 . 4.000 3.311 2.510 3.641 . 0 0 "[ . 1 . 2]" 1
555 1 22 LEU HA 1 27 TYR QE 0.000 . 3.200 4.525 3.707 4.858 1.658 11 20 [**********+*****-***] 1
556 1 35 LEU MD1 1 109 ILE MD 0.000 . 4.800 2.111 2.078 2.145 . 0 0 "[ . 1 . 2]" 1
557 1 32 LYS HA 1 37 PHE H 0.000 . 3.500 2.378 2.247 2.607 . 0 0 "[ . 1 . 2]" 1
558 1 32 LYS QB 1 37 PHE H 0.000 . 5.800 4.346 4.227 4.692 . 0 0 "[ . 1 . 2]" 1
559 1 32 LYS QG 1 37 PHE H 0.000 . 4.800 3.270 3.198 3.656 . 0 0 "[ . 1 . 2]" 1
560 1 32 LYS QD 1 38 GLU H 0.000 . 4.800 4.265 4.017 4.652 . 0 0 "[ . 1 . 2]" 1
561 1 32 LYS QG 1 38 GLU H 0.000 . 4.800 3.581 2.984 3.826 . 0 0 "[ . 1 . 2]" 1
562 1 39 PRO HB3 1 109 ILE MD 0.000 . 4.800 2.057 2.025 2.100 . 0 0 "[ . 1 . 2]" 1
563 1 39 PRO HB2 1 109 ILE MD 0.000 . 4.800 2.750 2.652 2.836 . 0 0 "[ . 1 . 2]" 1
564 1 39 PRO HG3 1 109 ILE MD 0.000 . 4.800 1.998 1.940 2.065 . 0 0 "[ . 1 . 2]" 1
565 1 39 PRO HG2 1 109 ILE MD 0.000 . 4.800 3.178 3.071 3.271 . 0 0 "[ . 1 . 2]" 1
566 1 40 TYR QB 1 111 PRO HA 0.000 . 4.000 4.109 3.893 4.301 0.301 10 0 "[ . 1 . 2]" 1
567 1 40 TYR H 1 110 ALA MB 0.000 . 5.800 4.609 4.537 4.671 . 0 0 "[ . 1 . 2]" 1
568 1 40 TYR H 1 111 PRO HA 0.000 . 4.500 3.368 3.259 3.459 . 0 0 "[ . 1 . 2]" 1
569 1 22 LEU HB3 1 41 GLU HA 0.000 . 4.000 3.188 2.882 3.705 . 0 0 "[ . 1 . 2]" 1
570 1 22 LEU HB2 1 41 GLU HA 0.000 . 4.000 3.207 2.864 4.006 0.006 8 0 "[ . 1 . 2]" 1
571 1 22 LEU MD1 1 41 GLU HA 0.000 . 4.800 2.584 1.898 3.346 . 0 0 "[ . 1 . 2]" 1
572 1 22 LEU HB3 1 42 GLY H 0.000 . 5.000 4.931 4.589 5.024 0.024 12 0 "[ . 1 . 2]" 1
573 1 22 LEU HB2 1 42 GLY H 0.000 . 5.000 4.849 4.392 5.018 0.018 1 0 "[ . 1 . 2]" 1
574 1 22 LEU MD1 1 42 GLY H 0.000 . 4.000 2.889 2.405 3.342 . 0 0 "[ . 1 . 2]" 1
575 1 43 THR HA 1 109 ILE MG 0.000 . 4.800 3.044 2.759 3.184 . 0 0 "[ . 1 . 2]" 1
576 1 43 THR HB 1 107 GLU QB 0.000 . 4.000 3.291 3.114 3.448 . 0 0 "[ . 1 . 2]" 1
577 1 43 THR HB 1 107 GLU QG 0.000 . 4.000 3.547 3.450 3.572 . 0 0 "[ . 1 . 2]" 1
578 1 15 LEU QD 1 43 THR H 0.000 . 5.500 3.924 3.100 4.106 . 0 0 "[ . 1 . 2]" 1
579 1 44 LEU MD2 1 84 ILE MD 0.000 . 4.800 3.336 3.329 3.345 . 0 0 "[ . 1 . 2]" 1
580 1 44 LEU H 1 107 GLU HA 0.000 . 4.000 4.624 4.608 4.653 0.653 12 20 [***-*******+********] 1
581 1 44 LEU H 1 107 GLU QB 0.000 . 4.000 4.868 4.858 4.878 0.878 3 20 [**+******-**********] 1
582 1 44 LEU H 1 107 GLU QG 0.000 . 4.800 5.185 5.178 5.189 0.389 4 0 "[ . 1 . 2]" 1
583 1 44 LEU H 1 108 ILE HB 0.000 . 4.000 3.254 3.224 3.304 . 0 0 "[ . 1 . 2]" 1
584 1 44 LEU H 1 108 ILE MD 0.000 . 4.800 4.785 4.752 4.832 0.032 17 0 "[ . 1 . 2]" 1
585 1 44 LEU H 1 108 ILE MG 0.000 . 4.800 4.038 4.033 4.044 . 0 0 "[ . 1 . 2]" 1
586 1 44 LEU H 1 108 ILE H 0.000 . 3.500 2.885 2.862 2.921 . 0 0 "[ . 1 . 2]" 1
587 1 45 ASN HA 1 107 GLU HA 0.000 . 2.700 2.518 2.503 2.532 . 0 0 "[ . 1 . 2]" 1
588 1 12 VAL MG2 1 45 ASN HB3 0.000 . 3.500 2.346 2.260 2.480 . 0 0 "[ . 1 . 2]" 1
589 1 12 VAL MG2 1 45 ASN HB2 0.000 . 3.500 2.711 2.511 2.919 . 0 0 "[ . 1 . 2]" 1
590 1 45 ASN HD21 1 105 ILE MG 0.000 . 4.800 3.490 3.404 3.608 . 0 0 "[ . 1 . 2]" 1
591 1 45 ASN HD21 1 107 GLU QG 0.000 . 4.800 2.776 2.555 2.807 . 0 0 "[ . 1 . 2]" 1
592 1 11 VAL HA 1 46 LEU HA 0.000 . 4.000 3.281 3.243 3.310 . 0 0 "[ . 1 . 2]" 1
593 1 9 GLY HA3 1 46 LEU HB3 0.000 . 3.200 2.457 2.447 2.467 . 0 0 "[ . 1 . 2]" 1
594 1 9 GLY HA2 1 46 LEU HB3 0.000 . 4.000 3.765 3.724 3.794 . 0 0 "[ . 1 . 2]" 1
595 1 9 GLY HA3 1 46 LEU HB2 0.000 . 4.000 4.014 4.008 4.024 0.024 10 0 "[ . 1 . 2]" 1
596 1 11 VAL HA 1 46 LEU MD2 0.000 . 3.500 2.072 2.011 2.098 . 0 0 "[ . 1 . 2]" 1
597 1 9 GLY HA3 1 46 LEU MD2 0.000 . 4.800 2.783 2.737 2.809 . 0 0 "[ . 1 . 2]" 1
598 1 46 LEU H 1 105 ILE HA 0.000 . 5.000 4.944 4.913 4.992 . 0 0 "[ . 1 . 2]" 1
599 1 46 LEU H 1 105 ILE MG 0.000 . 4.800 4.010 4.007 4.016 . 0 0 "[ . 1 . 2]" 1
600 1 46 LEU H 1 106 ILE H 0.000 . 3.500 3.457 3.432 3.486 . 0 0 "[ . 1 . 2]" 1
601 1 46 LEU H 1 107 GLU HA 0.000 . 3.500 3.552 3.540 3.562 0.062 11 0 "[ . 1 . 2]" 1
602 1 46 LEU H 1 108 ILE MD 0.000 . 5.800 4.243 4.156 4.342 . 0 0 "[ . 1 . 2]" 1
603 1 12 VAL MG2 1 46 LEU H 0.000 . 5.800 3.676 3.609 3.765 . 0 0 "[ . 1 . 2]" 1
604 1 47 LYS HA 1 105 ILE HA 0.000 . 2.700 2.729 2.721 2.739 0.039 10 0 "[ . 1 . 2]" 1
605 1 10 GLU QB 1 47 LYS H 0.000 . 4.800 3.521 3.498 3.559 . 0 0 "[ . 1 . 2]" 1
606 1 11 VAL HA 1 47 LYS H 0.000 . 5.000 4.564 4.537 4.592 . 0 0 "[ . 1 . 2]" 1
607 1 12 VAL MG1 1 47 LYS H 0.000 . 4.000 2.446 2.321 2.779 . 0 0 "[ . 1 . 2]" 1
608 1 12 VAL MG2 1 47 LYS H 0.000 . 4.800 2.703 2.468 2.806 . 0 0 "[ . 1 . 2]" 1
609 1 9 GLY HA3 1 48 LEU MD2 0.000 . 4.000 2.283 2.248 2.336 . 0 0 "[ . 1 . 2]" 1
610 1 9 GLY HA2 1 48 LEU MD2 0.000 . 3.500 2.025 2.017 2.050 . 0 0 "[ . 1 . 2]" 1
611 1 48 LEU H 1 104 GLU HA 0.000 . 5.000 4.176 4.142 4.257 . 0 0 "[ . 1 . 2]" 1
612 1 48 LEU H 1 104 GLU QB 0.000 . 4.800 2.899 2.866 2.955 . 0 0 "[ . 1 . 2]" 1
613 1 48 LEU H 1 104 GLU QG 0.000 . 4.800 4.316 4.304 4.320 . 0 0 "[ . 1 . 2]" 1
614 1 48 LEU H 1 105 ILE HA 0.000 . 3.500 3.520 3.494 3.528 0.028 15 0 "[ . 1 . 2]" 1
615 1 48 LEU H 1 105 ILE QG 0.000 . 4.000 4.843 4.806 4.879 0.879 17 20 [************-***+***] 1
616 1 48 LEU H 1 105 ILE MD 0.000 . 4.800 3.116 3.073 3.155 . 0 0 "[ . 1 . 2]" 1
617 1 50 ARG H 1 104 GLU HA 0.000 . 4.500 4.522 4.515 4.527 0.027 2 0 "[ . 1 . 2]" 1
618 1 50 ARG H 1 104 GLU QB 0.000 . 4.800 4.049 4.023 4.075 . 0 0 "[ . 1 . 2]" 1
619 1 50 ARG H 1 104 GLU QG 0.000 . 4.800 2.841 2.732 2.876 . 0 0 "[ . 1 . 2]" 1
620 1 7 ILE MG 1 50 ARG H 0.000 . 5.800 4.251 4.112 4.420 . 0 0 "[ . 1 . 2]" 1
621 1 51 GLU HA 1 104 GLU HA 0.000 . 2.700 2.703 2.686 2.710 0.010 14 0 "[ . 1 . 2]" 1
622 1 52 PHE H 1 102 SER QB 0.000 . 4.800 3.849 3.687 4.092 . 0 0 "[ . 1 . 2]" 1
623 1 52 PHE H 1 104 GLU HA 0.000 . 3.500 3.482 3.452 3.510 0.010 1 0 "[ . 1 . 2]" 1
624 1 52 PHE H 1 106 ILE MG 0.000 . 5.800 4.449 4.367 4.515 . 0 0 "[ . 1 . 2]" 1
625 1 52 PHE HZ 1 57 PHE HD2 0.000 . 4.000 3.938 3.886 4.004 0.004 10 0 "[ . 1 . 2]" 1
626 1 52 PHE HZ 1 57 PHE HE2 0.000 . 4.000 4.029 4.014 4.054 0.054 10 0 "[ . 1 . 2]" 1
627 1 52 PHE HZ 1 78 LEU MD2 0.000 . 4.000 2.844 2.699 2.997 . 0 0 "[ . 1 . 2]" 1
628 1 52 PHE HZ 1 93 ILE MG 0.000 . 4.800 3.960 3.775 4.009 . 0 0 "[ . 1 . 2]" 1
629 1 57 PHE HB3 1 78 LEU MD1 0.000 . 4.000 3.244 3.131 3.333 . 0 0 "[ . 1 . 2]" 1
630 1 57 PHE HB3 1 78 LEU MD2 0.000 . 4.800 2.611 2.457 2.829 . 0 0 "[ . 1 . 2]" 1
631 1 57 PHE HB2 1 78 LEU MD1 0.000 . 4.000 3.264 3.210 3.331 . 0 0 "[ . 1 . 2]" 1
632 1 57 PHE HB2 1 78 LEU MD2 0.000 . 4.800 2.203 2.140 2.300 . 0 0 "[ . 1 . 2]" 1
633 1 59 TYR H 1 78 LEU MD1 0.000 . 4.000 3.351 3.342 3.361 . 0 0 "[ . 1 . 2]" 1
634 1 59 TYR H 1 78 LEU MD2 0.000 . 4.800 4.749 4.693 4.775 . 0 0 "[ . 1 . 2]" 1
635 1 54 ILE QG 1 59 TYR HB3 0.000 . 4.800 2.206 2.137 2.309 . 0 0 "[ . 1 . 2]" 1
636 1 59 TYR HB3 1 78 LEU MD1 0.000 . 4.800 2.045 2.026 2.077 . 0 0 "[ . 1 . 2]" 1
637 1 59 TYR HB3 1 78 LEU MD2 0.000 . 4.800 2.967 2.918 2.991 . 0 0 "[ . 1 . 2]" 1
638 1 59 TYR HB2 1 78 LEU MD1 0.000 . 4.800 2.878 2.841 2.916 . 0 0 "[ . 1 . 2]" 1
639 1 59 TYR HB2 1 78 LEU MD2 0.000 . 4.800 4.051 4.042 4.055 . 0 0 "[ . 1 . 2]" 1
640 1 60 ILE H 1 76 LYS HA 0.000 . 5.000 5.009 4.998 5.020 0.020 11 0 "[ . 1 . 2]" 1
641 1 60 ILE H 1 77 VAL HB 0.000 . 4.000 4.018 4.013 4.026 0.026 14 0 "[ . 1 . 2]" 1
642 1 60 ILE H 1 77 VAL MG1 0.000 . 4.800 4.623 4.612 4.640 . 0 0 "[ . 1 . 2]" 1
643 1 60 ILE H 1 77 VAL H 0.000 . 3.500 3.287 3.273 3.319 . 0 0 "[ . 1 . 2]" 1
644 1 60 ILE H 1 78 LEU HA 0.000 . 3.500 3.470 3.435 3.509 0.009 17 0 "[ . 1 . 2]" 1
645 1 60 ILE H 1 79 PRO QD 0.000 . 4.800 4.002 3.952 4.073 . 0 0 "[ . 1 . 2]" 1
646 1 61 GLU HA 1 76 LYS HA 0.000 . 2.700 2.433 2.413 2.471 . 0 0 "[ . 1 . 2]" 1
647 1 62 THR H 1 74 GLY HA3 0.000 . 5.000 4.942 4.768 5.011 0.011 18 0 "[ . 1 . 2]" 1
648 1 62 THR H 1 74 GLY HA2 0.000 . 5.000 4.997 4.875 5.028 0.028 14 0 "[ . 1 . 2]" 1
649 1 62 THR H 1 75 VAL MG2 0.000 . 4.800 3.425 3.358 3.506 . 0 0 "[ . 1 . 2]" 1
650 1 62 THR H 1 75 VAL H 0.000 . 3.500 3.095 2.988 3.147 . 0 0 "[ . 1 . 2]" 1
651 1 62 THR H 1 76 LYS HA 0.000 . 3.500 3.544 3.517 3.562 0.062 15 0 "[ . 1 . 2]" 1
652 1 63 GLU H 1 74 GLY QA 0.000 . 5.800 4.785 4.650 4.845 . 0 0 "[ . 1 . 2]" 1
653 1 64 ASP H 1 74 GLY QA 0.000 . 5.800 3.803 3.756 3.893 . 0 0 "[ . 1 . 2]" 1
654 1 27 TYR QE 1 65 PHE QE 0.000 . 5.000 4.269 3.743 4.711 . 0 0 "[ . 1 . 2]" 1
655 1 65 PHE QE 1 72 PHE HD1 0.000 . 5.000 3.676 3.461 3.834 . 0 0 "[ . 1 . 2]" 1
656 1 65 PHE QE 1 72 PHE QE 0.000 . 5.000 4.494 4.317 4.693 . 0 0 "[ . 1 . 2]" 1
657 1 66 GLU HA 1 71 ARG HA 0.000 . 2.700 2.626 2.603 2.645 . 0 0 "[ . 1 . 2]" 1
658 1 66 GLU HA 1 71 ARG QB 0.000 . 4.800 4.683 4.661 4.696 . 0 0 "[ . 1 . 2]" 1
659 1 66 GLU QG 1 71 ARG HA 0.000 . 4.000 2.178 2.140 2.202 . 0 0 "[ . 1 . 2]" 1
660 1 67 PHE H 1 72 PHE HD1 0.000 . 3.200 2.837 2.761 2.934 . 0 0 "[ . 1 . 2]" 1
661 1 67 PHE H 1 72 PHE QE 0.000 . 4.000 2.569 2.440 2.745 . 0 0 "[ . 1 . 2]" 1
662 1 67 PHE H 1 72 PHE H 0.000 . 5.000 4.608 4.552 4.646 . 0 0 "[ . 1 . 2]" 1
663 1 25 PRO HD3 1 67 PHE HZ 0.000 . 4.000 3.873 3.461 4.071 0.071 12 0 "[ . 1 . 2]" 1
664 1 25 PRO HD2 1 67 PHE HZ 0.000 . 3.200 2.696 2.367 3.026 . 0 0 "[ . 1 . 2]" 1
665 1 66 GLU HA 1 71 ARG H 0.000 . 5.000 5.012 4.997 5.021 0.021 13 0 "[ . 1 . 2]" 1
666 1 67 PHE QB 1 72 PHE QE 0.000 . 3.200 2.500 2.413 2.671 . 0 0 "[ . 1 . 2]" 1
667 1 65 PHE H 1 72 PHE H 0.000 . 3.500 3.524 3.505 3.538 0.038 6 0 "[ . 1 . 2]" 1
668 1 66 GLU HA 1 72 PHE H 0.000 . 3.500 3.075 3.023 3.110 . 0 0 "[ . 1 . 2]" 1
669 1 66 GLU QG 1 72 PHE H 0.000 . 4.800 3.559 3.498 3.809 . 0 0 "[ . 1 . 2]" 1
670 1 64 ASP HA 1 74 GLY H 0.000 . 3.500 3.254 3.145 3.317 . 0 0 "[ . 1 . 2]" 1
671 1 64 ASP HB2 1 74 GLY H 0.000 . 5.000 4.991 4.960 5.008 0.008 7 0 "[ . 1 . 2]" 1
672 1 74 GLY H 1 97 LYS QD 0.000 . 4.800 3.581 2.926 4.092 . 0 0 "[ . 1 . 2]" 1
673 1 61 GLU HA 1 75 VAL H 0.000 . 5.000 4.919 4.865 5.004 0.004 11 0 "[ . 1 . 2]" 1
674 1 62 THR HB 1 75 VAL H 0.000 . 5.000 4.211 3.967 4.325 . 0 0 "[ . 1 . 2]" 1
675 1 62 THR HG1 1 75 VAL H 0.000 . 4.000 2.460 2.047 3.411 . 0 0 "[ . 1 . 2]" 1
676 1 76 LYS H 1 95 VAL H 0.000 . 3.500 3.467 3.330 3.504 0.004 9 0 "[ . 1 . 2]" 1
677 1 76 LYS H 1 96 PRO HA 0.000 . 3.500 3.536 3.513 3.545 0.045 17 0 "[ . 1 . 2]" 1
678 1 54 ILE MD 1 77 VAL H 0.000 . 4.800 3.184 3.043 3.308 . 0 0 "[ . 1 . 2]" 1
679 1 59 TYR HB3 1 77 VAL H 0.000 . 5.000 5.043 5.028 5.051 0.051 4 0 "[ . 1 . 2]" 1
680 1 59 TYR HB2 1 77 VAL H 0.000 . 5.000 3.362 3.347 3.376 . 0 0 "[ . 1 . 2]" 1
681 1 60 ILE HB 1 77 VAL H 0.000 . 4.000 4.014 4.004 4.040 0.040 17 0 "[ . 1 . 2]" 1
682 1 61 GLU HA 1 77 VAL H 0.000 . 3.500 3.561 3.544 3.572 0.072 11 0 "[ . 1 . 2]" 1
683 1 59 TYR HA 1 78 LEU HA 0.000 . 4.000 3.003 2.959 3.067 . 0 0 "[ . 1 . 2]" 1
684 1 54 ILE MD 1 78 LEU H 0.000 . 4.800 3.183 3.022 3.303 . 0 0 "[ . 1 . 2]" 1
685 1 78 LEU H 1 93 ILE HB 0.000 . 4.000 3.633 3.571 3.681 . 0 0 "[ . 1 . 2]" 1
686 1 78 LEU H 1 93 ILE MG 0.000 . 4.800 4.631 4.603 4.657 . 0 0 "[ . 1 . 2]" 1
687 1 78 LEU H 1 93 ILE H 0.000 . 3.500 3.071 3.026 3.113 . 0 0 "[ . 1 . 2]" 1
688 1 79 PRO HA 1 92 ALA HA 0.000 . 3.200 2.606 2.582 2.621 . 0 0 "[ . 1 . 2]" 1
689 1 60 ILE MD 1 79 PRO QD 0.000 . 5.600 3.327 3.236 3.419 . 0 0 "[ . 1 . 2]" 1
690 1 80 ILE MD 1 93 ILE MD 0.000 . 4.300 2.282 2.130 2.383 . 0 0 "[ . 1 . 2]" 1
691 1 80 ILE H 1 91 GLY H 0.000 . 3.500 3.377 3.335 3.407 . 0 0 "[ . 1 . 2]" 1
692 1 80 ILE H 1 92 ALA HA 0.000 . 3.500 2.562 2.529 2.589 . 0 0 "[ . 1 . 2]" 1
693 1 80 ILE H 1 92 ALA MB 0.000 . 4.800 3.585 3.443 3.631 . 0 0 "[ . 1 . 2]" 1
694 1 80 ILE H 1 93 ILE H 0.000 . 4.500 4.498 4.482 4.509 0.009 15 0 "[ . 1 . 2]" 1
695 1 81 LYS HA 1 90 ASP HA 0.000 . 4.000 2.833 2.743 2.904 . 0 0 "[ . 1 . 2]" 1
696 1 81 LYS H 1 129 LEU H 0.000 . 3.500 3.515 3.493 3.548 0.048 10 0 "[ . 1 . 2]" 1
697 1 82 ILE H 1 88 LYS HA 0.000 . 4.500 4.544 4.534 4.548 0.048 16 0 "[ . 1 . 2]" 1
698 1 82 ILE H 1 88 LYS QG 0.000 . 5.800 5.983 5.958 5.996 0.196 12 0 "[ . 1 . 2]" 1
699 1 82 ILE H 1 89 ILE H 0.000 . 3.500 3.180 3.136 3.197 . 0 0 "[ . 1 . 2]" 1
700 1 82 ILE H 1 90 ASP HA 0.000 . 5.000 3.697 3.634 3.773 . 0 0 "[ . 1 . 2]" 1
701 1 82 ILE H 1 91 GLY H 0.000 . 5.000 4.030 3.960 4.154 . 0 0 "[ . 1 . 2]" 1
702 1 83 LEU H 1 127 LYS HB2 0.000 . 4.000 3.990 3.916 4.008 0.008 1 0 "[ . 1 . 2]" 1
703 1 83 LEU H 1 127 LYS H 0.000 . 4.000 4.019 4.012 4.025 0.025 15 0 "[ . 1 . 2]" 1
704 1 83 LEU H 1 128 ILE HA 0.000 . 3.500 3.019 2.963 3.049 . 0 0 "[ . 1 . 2]" 1
705 1 83 LEU H 1 129 LEU H 0.000 . 4.000 4.047 4.041 4.055 0.055 9 0 "[ . 1 . 2]" 1
706 1 84 ILE MD 1 114 LEU MD2 0.000 . 4.800 2.294 1.942 2.424 . 0 0 "[ . 1 . 2]" 1
707 1 84 ILE MD 1 118 PHE HB3 0.000 . 4.800 3.973 3.883 4.005 . 0 0 "[ . 1 . 2]" 1
708 1 84 ILE MD 1 118 PHE HB2 0.000 . 4.800 3.686 3.603 3.737 . 0 0 "[ . 1 . 2]" 1
709 1 84 ILE MD 1 118 PHE HD2 0.000 . 4.800 3.678 2.840 4.008 . 0 0 "[ . 1 . 2]" 1
710 1 84 ILE MD 1 120 LEU MD1 0.000 . 4.800 2.501 2.417 2.620 . 0 0 "[ . 1 . 2]" 1
711 1 84 ILE MG 1 118 PHE HB3 0.000 . 4.000 2.688 2.588 2.738 . 0 0 "[ . 1 . 2]" 1
712 1 84 ILE MG 1 118 PHE HB2 0.000 . 4.000 3.299 3.133 3.336 . 0 0 "[ . 1 . 2]" 1
713 1 84 ILE H 1 89 ILE H 0.000 . 5.000 4.720 4.687 4.742 . 0 0 "[ . 1 . 2]" 1
714 1 82 ILE HB 1 89 ILE H 0.000 . 4.000 3.246 3.205 3.308 . 0 0 "[ . 1 . 2]" 1
715 1 83 LEU HA 1 89 ILE H 0.000 . 4.000 4.016 4.011 4.033 0.033 10 0 "[ . 1 . 2]" 1
716 1 82 ILE MD 1 91 GLY HA3 0.000 . 4.000 2.040 1.910 2.158 . 0 0 "[ . 1 . 2]" 1
717 1 80 ILE MD 1 91 GLY H 0.000 . 4.800 4.565 4.539 4.598 . 0 0 "[ . 1 . 2]" 1
718 1 80 ILE HG13 1 91 GLY H 0.000 . 4.000 3.141 3.113 3.181 . 0 0 "[ . 1 . 2]" 1
719 1 80 ILE HG12 1 91 GLY H 0.000 . 4.000 4.075 4.069 4.080 0.080 6 0 "[ . 1 . 2]" 1
720 1 81 LYS HA 1 91 GLY H 0.000 . 3.500 3.178 3.168 3.207 . 0 0 "[ . 1 . 2]" 1
721 1 81 LYS QB 1 91 GLY H 0.000 . 5.800 5.189 5.177 5.213 . 0 0 "[ . 1 . 2]" 1
722 1 81 LYS QD 1 91 GLY H 0.000 . 4.000 3.602 3.446 3.724 . 0 0 "[ . 1 . 2]" 1
723 1 35 LEU MD1 1 92 ALA MB 0.000 . 4.300 2.231 2.137 2.403 . 0 0 "[ . 1 . 2]" 1
724 1 35 LEU MD2 1 92 ALA MB 0.000 . 4.300 1.742 1.718 1.805 . 0 0 "[ . 1 . 2]" 1
725 1 79 PRO HA 1 92 ALA MB 0.000 . 3.500 2.647 2.376 2.731 . 0 0 "[ . 1 . 2]" 1
726 1 92 ALA H 1 108 ILE MG 0.000 . 4.000 2.474 2.414 2.529 . 0 0 "[ . 1 . 2]" 1
727 1 92 ALA H 1 109 ILE MD 0.000 . 5.800 4.431 4.338 4.552 . 0 0 "[ . 1 . 2]" 1
728 1 92 ALA H 1 109 ILE QG 0.000 . 4.800 2.909 2.811 3.016 . 0 0 "[ . 1 . 2]" 1
729 1 92 ALA H 1 109 ILE H 0.000 . 3.500 3.004 2.954 3.038 . 0 0 "[ . 1 . 2]" 1
730 1 92 ALA H 1 110 ALA MB 0.000 . 5.800 4.508 4.420 4.584 . 0 0 "[ . 1 . 2]" 1
731 1 35 LEU MD1 1 92 ALA H 0.000 . 5.800 4.633 4.531 4.745 . 0 0 "[ . 1 . 2]" 1
732 1 93 ILE HA 1 108 ILE HA 0.000 . 2.700 2.274 2.247 2.295 . 0 0 "[ . 1 . 2]" 1
733 1 52 PHE HE2 1 93 ILE MD 0.000 . 4.000 3.103 2.842 3.360 . 0 0 "[ . 1 . 2]" 1
734 1 52 PHE HZ 1 93 ILE MD 0.000 . 3.200 2.658 2.556 2.684 . 0 0 "[ . 1 . 2]" 1
735 1 78 LEU MD2 1 93 ILE MD 0.000 . 4.800 3.096 2.980 3.209 . 0 0 "[ . 1 . 2]" 1
736 1 78 LEU HB3 1 93 ILE H 0.000 . 4.000 3.637 3.585 3.672 . 0 0 "[ . 1 . 2]" 1
737 1 79 PRO HA 1 93 ILE H 0.000 . 4.000 4.015 4.009 4.021 0.021 17 0 "[ . 1 . 2]" 1
738 1 80 ILE MD 1 93 ILE H 0.000 . 4.800 3.796 3.740 3.846 . 0 0 "[ . 1 . 2]" 1
739 1 80 ILE QG 1 93 ILE H 0.000 . 4.800 3.372 3.331 3.419 . 0 0 "[ . 1 . 2]" 1
740 1 80 ILE MG 1 93 ILE H 0.000 . 4.800 2.928 2.872 2.957 . 0 0 "[ . 1 . 2]" 1
741 1 94 VAL H 1 107 GLU H 0.000 . 4.000 4.029 4.021 4.037 0.037 19 0 "[ . 1 . 2]" 1
742 1 94 VAL H 1 108 ILE HA 0.000 . 4.000 3.518 3.405 3.618 . 0 0 "[ . 1 . 2]" 1
743 1 75 VAL HA 1 96 PRO HA 0.000 . 2.700 2.657 2.552 2.702 0.002 16 0 "[ . 1 . 2]" 1
744 1 75 VAL HA 1 97 LYS H 0.000 . 3.500 2.397 2.276 2.575 . 0 0 "[ . 1 . 2]" 1
745 1 75 VAL MG1 1 97 LYS H 0.000 . 4.000 3.196 2.807 3.334 . 0 0 "[ . 1 . 2]" 1
746 1 76 LYS H 1 97 LYS H 0.000 . 4.000 3.961 3.859 4.027 0.027 5 0 "[ . 1 . 2]" 1
747 1 51 GLU QB 1 103 SER H 0.000 . 4.800 4.148 3.890 4.279 . 0 0 "[ . 1 . 2]" 1
748 1 47 LYS HA 1 105 ILE MD 0.000 . 4.000 2.193 2.099 2.303 . 0 0 "[ . 1 . 2]" 1
749 1 47 LYS QG 1 105 ILE MD 0.000 . 4.000 1.909 1.895 1.918 . 0 0 "[ . 1 . 2]" 1
750 1 46 LEU HA 1 106 ILE H 0.000 . 5.000 5.313 5.301 5.332 0.332 10 0 "[ . 1 . 2]" 1
751 1 47 LYS HA 1 106 ILE H 0.000 . 4.000 3.855 3.830 3.889 . 0 0 "[ . 1 . 2]" 1
752 1 43 THR HB 1 108 ILE H 0.000 . 4.000 3.608 3.503 3.704 . 0 0 "[ . 1 . 2]" 1
753 1 43 THR MG 1 108 ILE H 0.000 . 4.800 4.037 4.031 4.046 . 0 0 "[ . 1 . 2]" 1
754 1 45 ASN HA 1 108 ILE H 0.000 . 3.500 3.583 3.564 3.595 0.095 5 0 "[ . 1 . 2]" 1
755 1 31 PHE HE2 1 109 ILE MD 0.000 . 5.800 4.105 1.986 4.581 . 0 0 "[ . 1 . 2]" 1
756 1 37 PHE HD1 1 109 ILE MD 0.000 . 5.800 4.856 4.848 4.866 . 0 0 "[ . 1 . 2]" 1
757 1 37 PHE HE1 1 109 ILE MD 0.000 . 4.800 3.175 3.114 3.204 . 0 0 "[ . 1 . 2]" 1
758 1 37 PHE HZ 1 109 ILE MD 0.000 . 5.600 3.999 3.870 4.095 . 0 0 "[ . 1 . 2]" 1
759 1 92 ALA MB 1 109 ILE MD 0.000 . 4.000 2.632 2.495 2.778 . 0 0 "[ . 1 . 2]" 1
760 1 94 VAL MG2 1 109 ILE MD 0.000 . 4.800 2.724 2.629 2.814 . 0 0 "[ . 1 . 2]" 1
761 1 80 ILE MD 1 109 ILE H 0.000 . 5.800 4.427 4.336 4.507 . 0 0 "[ . 1 . 2]" 1
762 1 92 ALA MB 1 109 ILE H 0.000 . 4.800 3.610 3.493 3.743 . 0 0 "[ . 1 . 2]" 1
763 1 93 ILE HA 1 109 ILE H 0.000 . 3.500 3.550 3.541 3.561 0.061 5 0 "[ . 1 . 2]" 1
764 1 94 VAL MG2 1 109 ILE H 0.000 . 5.800 3.515 3.430 3.621 . 0 0 "[ . 1 . 2]" 1
765 1 82 ILE MD 1 110 ALA MB 0.000 . 4.200 2.821 2.721 2.913 . 0 0 "[ . 1 . 2]" 1
766 1 39 PRO HA 1 110 ALA H 0.000 . 5.000 4.605 4.424 4.733 . 0 0 "[ . 1 . 2]" 1
767 1 39 PRO QB 1 110 ALA H 0.000 . 4.800 3.346 3.315 3.372 . 0 0 "[ . 1 . 2]" 1
768 1 39 PRO QG 1 110 ALA H 0.000 . 5.800 5.181 5.173 5.192 . 0 0 "[ . 1 . 2]" 1
769 1 40 TYR QB 1 110 ALA H 0.000 . 5.000 4.118 4.040 4.193 . 0 0 "[ . 1 . 2]" 1
770 1 40 TYR H 1 110 ALA H 0.000 . 4.000 3.732 3.631 3.810 . 0 0 "[ . 1 . 2]" 1
771 1 37 PHE HD1 1 111 PRO HA 0.000 . 4.000 3.607 3.167 3.948 . 0 0 "[ . 1 . 2]" 1
772 1 39 PRO HA 1 111 PRO HA 0.000 . 3.200 2.619 2.412 2.761 . 0 0 "[ . 1 . 2]" 1
773 1 115 ARG HA 1 120 LEU MD1 0.000 . 4.800 2.476 2.082 2.858 . 0 0 "[ . 1 . 2]" 1
774 1 115 ARG HA 1 120 LEU H 0.000 . 3.500 2.909 2.777 2.972 . 0 0 "[ . 1 . 2]" 1
775 1 115 ARG HB3 1 120 LEU H 0.000 . 4.000 4.048 4.036 4.070 0.070 10 0 "[ . 1 . 2]" 1
776 1 11 VAL HB 1 122 ASP HA 0.000 . 3.200 2.477 2.376 2.586 . 0 0 "[ . 1 . 2]" 1
777 1 11 VAL MG1 1 122 ASP HA 0.000 . 4.000 2.176 2.120 2.226 . 0 0 "[ . 1 . 2]" 1
778 1 11 VAL MG1 1 122 ASP H 0.000 . 4.800 3.959 3.898 4.000 . 0 0 "[ . 1 . 2]" 1
779 1 10 GLU QG 1 123 GLY HA3 0.000 . 4.800 3.808 3.799 3.816 . 0 0 "[ . 1 . 2]" 1
780 1 10 GLU QB 1 123 GLY HA2 0.000 . 4.800 4.321 4.313 4.328 . 0 0 "[ . 1 . 2]" 1
781 1 10 GLU QG 1 123 GLY HA2 0.000 . 4.000 2.416 2.400 2.434 . 0 0 "[ . 1 . 2]" 1
782 1 10 GLU QG 1 123 GLY H 0.000 . 4.800 3.021 2.988 3.057 . 0 0 "[ . 1 . 2]" 1
783 1 11 VAL HB 1 123 GLY H 0.000 . 3.200 2.276 2.218 2.345 . 0 0 "[ . 1 . 2]" 1
784 1 11 VAL MG1 1 123 GLY H 0.000 . 4.000 3.339 3.308 3.350 . 0 0 "[ . 1 . 2]" 1
785 1 11 VAL H 1 123 GLY H 0.000 . 4.000 3.558 3.512 3.608 . 0 0 "[ . 1 . 2]" 1
786 1 12 VAL HA 1 123 GLY H 0.000 . 4.000 4.032 4.020 4.041 0.041 5 0 "[ . 1 . 2]" 1
787 1 10 GLU HA 1 124 ASP H 0.000 . 5.000 5.485 5.464 5.501 0.501 20 1 "[ . 1 . +]" 1
788 1 10 GLU QG 1 124 ASP H 0.000 . 5.800 3.912 3.876 3.945 . 0 0 "[ . 1 . 2]" 1
789 1 11 VAL HB 1 124 ASP H 0.000 . 3.200 2.882 2.831 2.936 . 0 0 "[ . 1 . 2]" 1
790 1 11 VAL MG2 1 124 ASP H 0.000 . 4.000 3.371 3.366 3.378 . 0 0 "[ . 1 . 2]" 1
791 1 10 GLU HA 1 125 VAL HA 0.000 . 2.700 2.358 2.328 2.390 . 0 0 "[ . 1 . 2]" 1
792 1 10 GLU HA 1 126 ILE H 0.000 . 3.500 3.460 3.426 3.501 0.001 6 0 "[ . 1 . 2]" 1
793 1 11 VAL H 1 126 ILE H 0.000 . 5.000 4.469 4.414 4.513 . 0 0 "[ . 1 . 2]" 1
794 1 46 LEU MD2 1 126 ILE H 0.000 . 4.800 3.603 3.578 3.701 . 0 0 "[ . 1 . 2]" 1
795 1 6 ILE MG 1 127 LYS HB3 0.000 . 4.000 3.020 2.825 3.359 . 0 0 "[ . 1 . 2]" 1
796 1 83 LEU HB2 1 127 LYS H 0.000 . 4.000 3.673 3.358 3.717 . 0 0 "[ . 1 . 2]" 1
797 1 82 ILE HA 1 128 ILE HA 0.000 . 2.700 2.708 2.643 2.718 0.018 9 0 "[ . 1 . 2]" 1
798 1 6 ILE MG 1 128 ILE H 0.000 . 4.800 3.803 3.633 3.999 . 0 0 "[ . 1 . 2]" 1
799 1 8 GLU HA 1 128 ILE H 0.000 . 3.500 3.333 3.175 3.413 . 0 0 "[ . 1 . 2]" 1
800 1 81 LYS H 1 129 LEU QB 0.000 . 4.800 3.172 2.507 3.318 . 0 0 "[ . 1 . 2]" 1
801 1 80 ILE HB 1 129 LEU H 0.000 . 4.000 4.045 4.004 4.064 0.064 12 0 "[ . 1 . 2]" 1
802 1 81 LYS HB2 1 129 LEU H 0.000 . 4.000 3.753 3.677 3.986 . 0 0 "[ . 1 . 2]" 1
803 1 82 ILE HA 1 129 LEU H 0.000 . 3.500 3.401 3.197 3.445 . 0 0 "[ . 1 . 2]" 1
804 1 83 LEU HG 1 129 LEU H 0.000 . 4.000 4.020 4.014 4.048 0.048 10 0 "[ . 1 . 2]" 1
805 1 5 MET QB 1 130 ILE HB 0.000 . 4.000 2.432 2.167 2.840 . 0 0 "[ . 1 . 2]" 1
806 1 5 MET QB 1 130 ILE MD 0.000 . 5.600 3.079 2.827 3.359 . 0 0 "[ . 1 . 2]" 1
807 1 5 MET QG 1 130 ILE MD 0.000 . 5.600 3.535 3.130 4.140 . 0 0 "[ . 1 . 2]" 1
808 1 6 ILE HA 1 130 ILE MD 0.000 . 4.800 4.016 4.006 4.019 . 0 0 "[ . 1 . 2]" 1
809 1 5 MET QB 1 130 ILE H 0.000 . 4.800 3.792 3.582 4.215 . 0 0 "[ . 1 . 2]" 1
810 1 6 ILE HA 1 130 ILE H 0.000 . 3.500 3.514 3.380 3.549 0.049 12 0 "[ . 1 . 2]" 1
811 1 4 LEU MD2 1 131 LYS HA 0.000 . 4.000 1.964 1.909 2.428 . 0 0 "[ . 1 . 2]" 1
812 1 4 LEU MD2 1 132 GLY H 0.000 . 4.800 2.675 2.365 3.106 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 116
_Distance_constraint_stats_list.Viol_count 83
_Distance_constraint_stats_list.Viol_total 2295.489
_Distance_constraint_stats_list.Viol_max 1.730
_Distance_constraint_stats_list.Viol_rms 0.2636
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0495
_Distance_constraint_stats_list.Viol_average_violations_only 1.3828
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 56.351 1.730 2 20 [*+*********-********]
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASN 56.351 1.730 2 20 [*+*********-********]
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 58.389 1.608 6 20 [*****+**********-***]
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLU 58.389 1.608 6 20 [*****+**********-***]
1 108 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LYS 0.035 0.029 7 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 GLN 0.035 0.029 7 0 "[ . 1 . 2]"
1 118 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ILE 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 5 MET H 1 130 ILE O 2.100 . 2.500 2.249 2.140 2.309 . 0 0 "[ . 1 . 2]" 2
2 1 5 MET N 1 130 ILE O 3.100 2.600 3.500 3.207 3.117 3.277 . 0 0 "[ . 1 . 2]" 2
3 1 5 MET O 1 130 ILE H 2.100 . 2.500 2.144 2.064 2.291 . 0 0 "[ . 1 . 2]" 2
4 1 5 MET O 1 130 ILE N 3.100 2.600 3.500 3.103 3.035 3.209 . 0 0 "[ . 1 . 2]" 2
5 1 7 ILE H 1 128 ILE O 2.100 . 2.500 2.374 2.326 2.416 . 0 0 "[ . 1 . 2]" 2
6 1 7 ILE N 1 128 ILE O 3.100 2.600 3.500 3.341 3.294 3.396 . 0 0 "[ . 1 . 2]" 2
7 1 7 ILE O 1 128 ILE H 2.100 . 2.500 2.108 2.052 2.150 . 0 0 "[ . 1 . 2]" 2
8 1 7 ILE O 1 128 ILE N 3.100 2.600 3.500 3.082 3.021 3.124 . 0 0 "[ . 1 . 2]" 2
9 1 9 GLY H 1 126 ILE O 2.100 . 2.500 2.228 2.184 2.259 . 0 0 "[ . 1 . 2]" 2
10 1 9 GLY N 1 126 ILE O 3.100 2.600 3.500 3.208 3.163 3.240 . 0 0 "[ . 1 . 2]" 2
11 1 9 GLY O 1 126 ILE H 2.100 . 2.500 2.199 2.187 2.220 . 0 0 "[ . 1 . 2]" 2
12 1 9 GLY O 1 126 ILE N 3.100 2.600 3.500 3.160 3.149 3.181 . 0 0 "[ . 1 . 2]" 2
13 1 10 GLU H 1 47 LYS O 2.100 . 2.500 2.197 2.183 2.226 . 0 0 "[ . 1 . 2]" 2
14 1 10 GLU N 1 47 LYS O 3.100 2.600 3.500 3.150 3.136 3.188 . 0 0 "[ . 1 . 2]" 2
15 1 10 GLU O 1 47 LYS H 2.100 . 2.500 2.259 2.242 2.277 . 0 0 "[ . 1 . 2]" 2
16 1 10 GLU O 1 47 LYS N 3.100 2.600 3.500 3.200 3.181 3.218 . 0 0 "[ . 1 . 2]" 2
17 1 12 VAL H 1 45 ASN O 2.100 . 2.500 2.185 2.125 2.235 . 0 0 "[ . 1 . 2]" 2
18 1 12 VAL N 1 45 ASN O 3.100 2.600 3.500 3.147 3.089 3.192 . 0 0 "[ . 1 . 2]" 2
19 1 12 VAL O 1 45 ASN H 2.100 . 2.500 4.097 3.757 4.230 1.730 2 20 [*+*********-********] 2
20 1 12 VAL O 1 45 ASN N 3.100 2.600 3.500 4.721 4.349 4.830 1.330 19 20 [***********-******+*] 2
21 1 52 PHE H 1 103 SER O 2.100 . 2.500 2.296 2.259 2.341 . 0 0 "[ . 1 . 2]" 2
22 1 52 PHE N 1 103 SER O 3.100 2.600 3.500 3.235 3.202 3.277 . 0 0 "[ . 1 . 2]" 2
23 1 48 LEU H 1 104 GLU O 2.100 . 2.500 1.989 1.971 2.017 . 0 0 "[ . 1 . 2]" 2
24 1 48 LEU N 1 104 GLU O 3.100 2.600 3.500 2.963 2.944 2.986 . 0 0 "[ . 1 . 2]" 2
25 1 46 LEU H 1 106 ILE O 2.100 . 2.500 2.216 2.206 2.231 . 0 0 "[ . 1 . 2]" 2
26 1 46 LEU N 1 106 ILE O 3.100 2.600 3.500 3.191 3.182 3.204 . 0 0 "[ . 1 . 2]" 2
27 1 46 LEU O 1 106 ILE H 2.100 . 2.500 2.311 2.302 2.325 . 0 0 "[ . 1 . 2]" 2
28 1 46 LEU O 1 106 ILE N 3.100 2.600 3.500 3.288 3.281 3.301 . 0 0 "[ . 1 . 2]" 2
29 1 44 LEU H 1 108 ILE O 2.100 . 2.500 1.930 1.892 1.955 . 0 0 "[ . 1 . 2]" 2
30 1 44 LEU N 1 108 ILE O 3.100 2.600 3.500 2.886 2.842 2.916 . 0 0 "[ . 1 . 2]" 2
31 1 44 LEU O 1 108 ILE H 2.100 . 2.500 2.056 2.040 2.072 . 0 0 "[ . 1 . 2]" 2
32 1 44 LEU O 1 108 ILE N 3.100 2.600 3.500 2.996 2.970 3.020 . 0 0 "[ . 1 . 2]" 2
33 1 40 TYR H 1 110 ALA O 2.100 . 2.500 2.144 2.094 2.185 . 0 0 "[ . 1 . 2]" 2
34 1 40 TYR N 1 110 ALA O 3.100 2.600 3.500 3.116 3.062 3.160 . 0 0 "[ . 1 . 2]" 2
35 1 92 ALA H 1 109 ILE O 2.100 . 2.500 2.322 2.300 2.350 . 0 0 "[ . 1 . 2]" 2
36 1 92 ALA N 1 109 ILE O 3.100 2.600 3.500 3.195 3.151 3.233 . 0 0 "[ . 1 . 2]" 2
37 1 92 ALA O 1 109 ILE H 2.100 . 2.500 1.993 1.962 2.014 . 0 0 "[ . 1 . 2]" 2
38 1 92 ALA O 1 109 ILE N 3.100 2.600 3.500 2.937 2.908 2.961 . 0 0 "[ . 1 . 2]" 2
39 1 94 VAL H 1 107 GLU O 2.100 . 2.500 2.302 2.233 2.335 . 0 0 "[ . 1 . 2]" 2
40 1 94 VAL N 1 107 GLU O 3.100 2.600 3.500 3.263 3.201 3.296 . 0 0 "[ . 1 . 2]" 2
41 1 94 VAL O 1 107 GLU H 2.100 . 2.500 4.046 3.965 4.108 1.608 6 20 [*-***+**************] 2
42 1 94 VAL O 1 107 GLU N 3.100 2.600 3.500 4.873 4.772 4.929 1.429 6 20 [*****+**********-***] 2
43 1 74 GLY O 1 97 LYS H 2.100 . 2.500 2.257 2.217 2.361 . 0 0 "[ . 1 . 2]" 2
44 1 74 GLY O 1 97 LYS N 3.100 2.600 3.500 3.158 3.116 3.301 . 0 0 "[ . 1 . 2]" 2
45 1 76 LYS H 1 95 VAL O 2.100 . 2.500 2.052 2.005 2.118 . 0 0 "[ . 1 . 2]" 2
46 1 76 LYS N 1 95 VAL O 3.100 2.600 3.500 3.005 2.963 3.075 . 0 0 "[ . 1 . 2]" 2
47 1 76 LYS O 1 95 VAL H 2.100 . 2.500 2.264 2.232 2.311 . 0 0 "[ . 1 . 2]" 2
48 1 76 LYS O 1 95 VAL N 3.100 2.600 3.500 3.239 3.208 3.284 . 0 0 "[ . 1 . 2]" 2
49 1 78 LEU H 1 93 ILE O 2.100 . 2.500 2.366 2.341 2.379 . 0 0 "[ . 1 . 2]" 2
50 1 78 LEU N 1 93 ILE O 3.100 2.600 3.500 3.323 3.292 3.337 . 0 0 "[ . 1 . 2]" 2
51 1 78 LEU O 1 93 ILE H 2.100 . 2.500 2.102 2.077 2.124 . 0 0 "[ . 1 . 2]" 2
52 1 78 LEU O 1 93 ILE N 3.100 2.600 3.500 3.072 3.046 3.095 . 0 0 "[ . 1 . 2]" 2
53 1 80 ILE H 1 91 GLY O 2.100 . 2.500 2.050 2.026 2.072 . 0 0 "[ . 1 . 2]" 2
54 1 80 ILE N 1 91 GLY O 3.100 2.600 3.500 3.026 3.004 3.050 . 0 0 "[ . 1 . 2]" 2
55 1 80 ILE O 1 91 GLY H 2.100 . 2.500 2.186 2.171 2.209 . 0 0 "[ . 1 . 2]" 2
56 1 80 ILE O 1 91 GLY N 3.100 2.600 3.500 3.158 3.136 3.178 . 0 0 "[ . 1 . 2]" 2
57 1 82 ILE H 1 89 ILE O 2.100 . 2.500 2.083 2.070 2.098 . 0 0 "[ . 1 . 2]" 2
58 1 82 ILE N 1 89 ILE O 3.100 2.600 3.500 3.054 3.039 3.070 . 0 0 "[ . 1 . 2]" 2
59 1 82 ILE O 1 89 ILE H 2.100 . 2.500 2.212 2.196 2.222 . 0 0 "[ . 1 . 2]" 2
60 1 82 ILE O 1 89 ILE N 3.100 2.600 3.500 3.164 3.147 3.175 . 0 0 "[ . 1 . 2]" 2
61 1 84 ILE H 1 87 LYS O 2.100 . 2.500 2.183 2.173 2.189 . 0 0 "[ . 1 . 2]" 2
62 1 84 ILE N 1 87 LYS O 3.100 2.600 3.500 3.132 3.118 3.136 . 0 0 "[ . 1 . 2]" 2
63 1 84 ILE O 1 87 LYS H 2.100 . 2.500 2.151 2.139 2.174 . 0 0 "[ . 1 . 2]" 2
64 1 84 ILE O 1 87 LYS N 3.100 2.600 3.500 3.106 3.094 3.128 . 0 0 "[ . 1 . 2]" 2
65 1 67 PHE O 1 70 LYS H 2.100 . 2.500 2.025 2.003 2.040 . 0 0 "[ . 1 . 2]" 2
66 1 67 PHE O 1 70 LYS N 3.100 2.600 3.500 2.937 2.912 2.961 . 0 0 "[ . 1 . 2]" 2
67 1 67 PHE H 1 70 LYS O 2.100 . 2.500 2.120 2.102 2.142 . 0 0 "[ . 1 . 2]" 2
68 1 67 PHE N 1 70 LYS O 3.100 2.600 3.500 3.076 3.059 3.092 . 0 0 "[ . 1 . 2]" 2
69 1 65 PHE O 1 72 PHE H 2.100 . 2.500 2.071 2.052 2.097 . 0 0 "[ . 1 . 2]" 2
70 1 65 PHE O 1 72 PHE N 3.100 2.600 3.500 3.040 3.018 3.068 . 0 0 "[ . 1 . 2]" 2
71 1 65 PHE H 1 72 PHE O 2.100 . 2.500 2.404 2.388 2.431 . 0 0 "[ . 1 . 2]" 2
72 1 65 PHE N 1 72 PHE O 3.100 2.600 3.500 3.342 3.317 3.376 . 0 0 "[ . 1 . 2]" 2
73 1 62 THR O 1 75 VAL H 2.100 . 2.500 2.449 2.425 2.476 . 0 0 "[ . 1 . 2]" 2
74 1 62 THR O 1 75 VAL N 3.100 2.600 3.500 3.307 3.269 3.325 . 0 0 "[ . 1 . 2]" 2
75 1 62 THR H 1 75 VAL O 2.100 . 2.500 2.120 2.046 2.151 . 0 0 "[ . 1 . 2]" 2
76 1 62 THR N 1 75 VAL O 3.100 2.600 3.500 3.086 3.006 3.113 . 0 0 "[ . 1 . 2]" 2
77 1 60 ILE O 1 77 VAL H 2.100 . 2.500 2.165 2.144 2.186 . 0 0 "[ . 1 . 2]" 2
78 1 60 ILE O 1 77 VAL N 3.100 2.600 3.500 3.125 3.112 3.143 . 0 0 "[ . 1 . 2]" 2
79 1 60 ILE H 1 77 VAL O 2.100 . 2.500 2.066 2.047 2.096 . 0 0 "[ . 1 . 2]" 2
80 1 60 ILE N 1 77 VAL O 3.100 2.600 3.500 3.026 3.005 3.054 . 0 0 "[ . 1 . 2]" 2
81 1 81 LYS O 1 129 LEU H 2.100 . 2.500 2.000 1.977 2.030 . 0 0 "[ . 1 . 2]" 2
82 1 81 LYS O 1 129 LEU N 3.100 2.600 3.500 2.955 2.920 2.970 . 0 0 "[ . 1 . 2]" 2
83 1 83 LEU O 1 127 LYS H 2.100 . 2.500 2.323 2.287 2.340 . 0 0 "[ . 1 . 2]" 2
84 1 83 LEU O 1 127 LYS N 3.100 2.600 3.500 3.242 3.205 3.262 . 0 0 "[ . 1 . 2]" 2
85 1 83 LEU H 1 127 LYS O 2.100 . 2.500 2.051 2.023 2.059 . 0 0 "[ . 1 . 2]" 2
86 1 83 LEU N 1 127 LYS O 3.100 2.600 3.500 2.974 2.941 2.984 . 0 0 "[ . 1 . 2]" 2
87 1 25 PRO O 1 29 GLU H 2.100 . 2.500 2.275 2.102 2.369 . 0 0 "[ . 1 . 2]" 2
88 1 25 PRO O 1 29 GLU N 3.100 2.600 3.500 3.224 3.052 3.313 . 0 0 "[ . 1 . 2]" 2
89 1 26 PRO O 1 30 ILE H 2.100 . 2.500 2.190 2.126 2.276 . 0 0 "[ . 1 . 2]" 2
90 1 26 PRO O 1 30 ILE N 3.100 2.600 3.500 3.143 3.070 3.243 . 0 0 "[ . 1 . 2]" 2
91 1 27 TYR O 1 31 PHE H 2.100 . 2.500 2.191 2.129 2.232 . 0 0 "[ . 1 . 2]" 2
92 1 27 TYR O 1 31 PHE N 3.100 2.600 3.500 3.117 3.039 3.170 . 0 0 "[ . 1 . 2]" 2
93 1 28 LYS O 1 32 LYS H 2.100 . 2.500 2.150 2.104 2.210 . 0 0 "[ . 1 . 2]" 2
94 1 28 LYS O 1 32 LYS N 3.100 2.600 3.500 3.086 3.038 3.138 . 0 0 "[ . 1 . 2]" 2
95 1 29 GLU O 1 33 LYS H 2.100 . 2.500 2.249 2.207 2.341 . 0 0 "[ . 1 . 2]" 2
96 1 29 GLU O 1 33 LYS N 3.100 2.600 3.500 3.125 3.071 3.213 . 0 0 "[ . 1 . 2]" 2
97 1 30 ILE O 1 34 ILE H 2.100 . 2.500 2.304 2.270 2.337 . 0 0 "[ . 1 . 2]" 2
98 1 30 ILE O 1 34 ILE N 3.100 2.600 3.500 3.181 3.149 3.210 . 0 0 "[ . 1 . 2]" 2
99 1 31 PHE O 1 35 LEU H 2.100 . 2.500 1.966 1.924 2.013 . 0 0 "[ . 1 . 2]" 2
100 1 31 PHE O 1 35 LEU N 3.100 2.600 3.500 2.882 2.831 2.911 . 0 0 "[ . 1 . 2]" 2
101 1 113 LYS O 1 117 GLN H 2.100 . 2.500 2.388 1.937 2.529 0.029 7 0 "[ . 1 . 2]" 2
102 1 113 LYS O 1 117 GLN N 3.100 2.600 3.500 3.361 2.904 3.506 0.006 7 0 "[ . 1 . 2]" 2
103 1 114 LEU O 1 118 PHE H 2.100 . 2.500 2.110 2.052 2.157 . 0 0 "[ . 1 . 2]" 2
104 1 114 LEU O 1 118 PHE N 3.100 2.600 3.500 3.032 2.977 3.088 . 0 0 "[ . 1 . 2]" 2
105 1 116 GLU O 1 119 ASN H 2.100 . 2.500 2.293 2.272 2.311 . 0 0 "[ . 1 . 2]" 2
106 1 116 GLU O 1 119 ASN N 3.100 2.600 3.500 3.238 3.219 3.254 . 0 0 "[ . 1 . 2]" 2
107 1 115 ARG O 1 120 LEU H 2.100 . 2.500 2.117 2.066 2.154 . 0 0 "[ . 1 . 2]" 2
108 1 115 ARG O 1 120 LEU N 3.100 2.600 3.500 3.051 3.004 3.101 . 0 0 "[ . 1 . 2]" 2
109 1 40 TYR O 1 42 GLY H 2.100 . 2.500 2.149 2.137 2.162 . 0 0 "[ . 1 . 2]" 2
110 1 40 TYR O 1 42 GLY N 3.100 2.600 3.500 2.905 2.898 2.916 . 0 0 "[ . 1 . 2]" 2
111 1 121 LYS O 1 124 ASP H 2.100 . 2.500 2.254 2.244 2.267 . 0 0 "[ . 1 . 2]" 2
112 1 121 LYS O 1 124 ASP N 3.100 2.600 3.500 3.196 3.187 3.209 . 0 0 "[ . 1 . 2]" 2
113 1 11 VAL H 1 124 ASP O 2.100 . 2.500 2.012 1.993 2.037 . 0 0 "[ . 1 . 2]" 2
114 1 11 VAL N 1 124 ASP O 3.100 2.600 3.500 2.987 2.968 3.011 . 0 0 "[ . 1 . 2]" 2
115 1 11 VAL O 1 123 GLY H 2.100 . 2.500 2.084 2.068 2.102 . 0 0 "[ . 1 . 2]" 2
116 1 11 VAL O 1 123 GLY N 3.100 2.600 3.500 3.021 3.000 3.047 . 0 0 "[ . 1 . 2]" 2
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