NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580257 |
2mpf   |
19977 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mpf
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 1695
_Distance_constraint_stats_list.Viol_count 5135
_Distance_constraint_stats_list.Viol_total 7115.294
_Distance_constraint_stats_list.Viol_max 1.819
_Distance_constraint_stats_list.Viol_rms 0.0703
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.0693
_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 22 ARG 0.112 0.028 13 0 "[ . 1 . 2]"
1 23 LYS 9.299 1.646 5 8 "[* * +** 1** . -2]"
1 24 LEU 35.774 1.646 5 12 "[****+** -1** . * *2]"
1 25 VAL 3.827 0.076 17 0 "[ . 1 . 2]"
1 26 ALA 0.690 0.063 18 0 "[ . 1 . 2]"
1 27 SER 5.249 0.578 12 1 "[ . 1 + . 2]"
1 28 MET 7.868 1.107 3 4 "[ + . - 1 * * 2]"
1 29 PRO 2.235 0.626 15 1 "[ . 1 + 2]"
1 30 LEU 0.624 0.169 5 0 "[ . 1 . 2]"
1 31 PHE 4.594 1.107 3 2 "[ + . - 1 . 2]"
1 32 ALA 4.101 0.112 3 0 "[ . 1 . 2]"
1 33 ASN 3.487 0.112 3 0 "[ . 1 . 2]"
1 34 ALA 3.453 0.081 16 0 "[ . 1 . 2]"
1 35 ASP 0.291 0.055 18 0 "[ . 1 . 2]"
1 36 PRO 0.754 0.051 12 0 "[ . 1 . 2]"
1 37 ASN 1.743 0.094 5 0 "[ . 1 . 2]"
1 38 PHE 1.312 0.046 19 0 "[ . 1 . 2]"
1 39 VAL 4.613 0.094 5 0 "[ . 1 . 2]"
1 40 THR 4.011 0.099 18 0 "[ . 1 . 2]"
1 41 ALA 1.193 0.055 15 0 "[ . 1 . 2]"
1 42 MET 6.011 0.453 5 0 "[ . 1 . 2]"
1 43 LEU 1.521 0.079 10 0 "[ . 1 . 2]"
1 44 THR 0.686 0.040 1 0 "[ . 1 . 2]"
1 45 LYS 7.722 0.930 7 6 "[ . +*** - *. 2]"
1 46 LEU 14.382 0.821 10 13 "[ *-*** **+ * *** * 2]"
1 47 LYS 2.006 0.085 18 0 "[ . 1 . 2]"
1 48 PHE 4.921 0.529 2 1 "[ + . 1 . 2]"
1 49 GLU 1.714 0.090 9 0 "[ . 1 . 2]"
1 50 VAL 3.757 0.103 16 0 "[ . 1 . 2]"
1 51 PHE 1.920 0.067 14 0 "[ . 1 . 2]"
1 52 GLN 6.077 0.542 5 1 "[ + 1 . 2]"
1 53 PRO 0.158 0.034 4 0 "[ . 1 . 2]"
1 54 GLY 1.577 0.101 10 0 "[ . 1 . 2]"
1 55 ASP 2.668 0.101 10 0 "[ . 1 . 2]"
1 56 TYR 1.157 0.078 11 0 "[ . 1 . 2]"
1 57 ILE 2.539 0.101 9 0 "[ . 1 . 2]"
1 58 ILE 4.562 0.116 14 0 "[ . 1 . 2]"
1 59 ARG 0.574 0.080 12 0 "[ . 1 . 2]"
1 60 GLU 3.966 0.613 1 2 "[+ . 1 - 2]"
1 61 GLY 3.623 0.613 1 2 "[+ . 1 - 2]"
1 62 THR 1.785 0.077 19 0 "[ . 1 . 2]"
1 63 ILE 3.429 0.169 16 0 "[ . 1 . 2]"
1 64 GLY 0.995 0.121 16 0 "[ . 1 . 2]"
1 65 LYS 1.538 0.126 9 0 "[ . 1 . 2]"
1 66 LYS 1.333 0.085 8 0 "[ . 1 . 2]"
1 67 MET 2.943 0.089 4 0 "[ . 1 . 2]"
1 68 TYR 4.935 0.912 16 5 "[ * * * .+ - 2]"
1 69 PHE 1.930 0.089 4 0 "[ . 1 . 2]"
1 70 ILE 11.554 0.936 11 3 "[ . 1+- .* 2]"
1 71 GLN 7.610 0.972 12 2 "[ . -1 + . 2]"
1 72 HIS 2.774 1.030 12 2 "[ . -1 + . 2]"
1 73 GLY 1.633 0.088 11 0 "[ . 1 . 2]"
1 74 VAL 3.481 0.382 18 0 "[ . 1 . 2]"
1 75 VAL 2.282 0.340 12 0 "[ . 1 . 2]"
1 76 SER 20.716 1.423 11 14 "[******* *1+***.*- 2]"
1 77 VAL 9.986 0.184 11 0 "[ . 1 . 2]"
1 78 LEU 44.032 1.423 11 17 "[*******-**+***.** *]"
1 79 THR 17.757 1.211 11 15 "[***** -**+***.** *]"
1 80 LYS 4.152 0.842 14 3 "[ -. 1 +.* 2]"
1 81 GLY 4.616 0.842 14 3 "[ -. 1 +.* 2]"
1 82 ASN 6.813 0.106 10 0 "[ . 1 . 2]"
1 83 LYS 9.839 0.515 12 1 "[ . 1 + . 2]"
1 84 GLU 5.729 0.580 10 2 "[ . - + . 2]"
1 85 MET 5.879 0.811 11 1 "[ . 1+ . 2]"
1 86 LYS 8.157 0.198 16 0 "[ . 1 . 2]"
1 87 LEU 1.614 0.134 13 0 "[ . 1 . 2]"
1 88 SER 2.229 0.382 18 0 "[ . 1 . 2]"
1 89 ASP 0.828 0.098 8 0 "[ . 1 . 2]"
1 90 GLY 4.498 0.790 17 1 "[ . 1 . + 2]"
1 91 SER 9.283 1.425 11 7 "[ * *.* -1+* . * 2]"
1 92 TYR 2.636 0.769 12 1 "[ . 1 + . 2]"
1 93 PHE 7.169 0.638 16 2 "[ . 1- .+ 2]"
1 94 GLY 0.734 0.058 19 0 "[ . 1 . 2]"
1 95 GLU 0.153 0.036 20 0 "[ . 1 . 2]"
1 96 ILE 1.479 0.099 15 0 "[ . 1 . 2]"
1 97 CYS 0.968 0.171 20 0 "[ . 1 . 2]"
1 98 LEU 5.446 0.141 15 0 "[ . 1 . 2]"
1 99 LEU 1.398 0.103 19 0 "[ . 1 . 2]"
1 100 THR 2.918 0.171 20 0 "[ . 1 . 2]"
1 101 ARG 0.379 0.074 11 0 "[ . 1 . 2]"
1 102 GLY 0.229 0.054 19 0 "[ . 1 . 2]"
1 103 ARG 1.337 0.086 12 0 "[ . 1 . 2]"
1 104 ARG 0.666 0.130 16 0 "[ . 1 . 2]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 SER 0.334 0.056 7 0 "[ . 1 . 2]"
1 108 VAL 2.559 0.090 3 0 "[ . 1 . 2]"
1 109 ARG 6.969 0.708 12 5 "[ * .** 1 +- . 2]"
1 110 ALA 0.307 0.045 15 0 "[ . 1 . 2]"
1 111 ASP 1.423 0.095 17 0 "[ . 1 . 2]"
1 112 THR 3.834 0.160 16 0 "[ . 1 . 2]"
1 113 TYR 5.140 0.542 5 1 "[ + 1 . 2]"
1 114 CYS 2.406 0.160 16 0 "[ . 1 . 2]"
1 115 ARG 6.192 0.529 2 1 "[ + . 1 . 2]"
1 116 LEU 5.908 0.912 16 5 "[ * * * .+ - 2]"
1 117 TYR 3.104 0.418 5 0 "[ . 1 . 2]"
1 118 SER 1.535 0.079 10 0 "[ . 1 . 2]"
1 119 LEU 18.362 0.930 7 14 "[ *-***+*** * *** * 2]"
1 120 SER 0.756 0.082 10 0 "[ . 1 . 2]"
1 121 VAL 6.776 0.172 5 0 "[ . 1 . 2]"
1 122 ASP 1.635 0.172 5 0 "[ . 1 . 2]"
1 123 ASN 0.636 0.091 19 0 "[ . 1 . 2]"
1 124 PHE 5.608 0.453 5 0 "[ . 1 . 2]"
1 125 ASN 2.645 0.096 12 0 "[ . 1 . 2]"
1 126 GLU 2.722 0.156 16 0 "[ . 1 . 2]"
1 127 VAL 4.473 0.107 4 0 "[ . 1 . 2]"
1 128 LEU 3.647 0.312 5 0 "[ . 1 . 2]"
1 129 GLU 2.595 0.204 1 0 "[ . 1 . 2]"
1 130 GLU 4.458 0.122 6 0 "[ . 1 . 2]"
1 131 TYR 1.470 0.073 13 0 "[ . 1 . 2]"
1 132 PRO 0.469 0.041 13 0 "[ . 1 . 2]"
1 133 MET 4.151 0.993 4 2 "[ +. 1 - . 2]"
1 134 MET 21.332 1.819 4 16 "[ **+*- ********* **2]"
1 135 ARG 0.734 0.096 17 0 "[ . 1 . 2]"
1 136 ARG 31.344 1.801 18 13 "[** -* * **** * *+ *]"
1 137 ALA 12.220 1.031 8 12 "[** -* + *** * ** *]"
1 138 PHE 22.091 1.819 4 15 "[ **+*- **** **** **2]"
1 139 GLU 1.716 0.093 11 0 "[ . 1 . 2]"
1 140 THR 21.448 1.801 18 13 "[** ** * ***- * *+ *]"
1 141 VAL 4.886 0.092 8 0 "[ . 1 . 2]"
1 142 ALA 14.775 1.345 4 12 "[** +.* * 1* *-* ** *]"
1 143 ILE 0.594 0.165 7 0 "[ . 1 . 2]"
1 144 ASP 0.006 0.006 11 0 "[ . 1 . 2]"
1 145 ARG 15.318 1.345 4 12 "[** +.* * 1* *-* ** *]"
1 146 LEU 4.258 0.765 13 3 "[ .- 1 + * 2]"
1 147 ASP 1.230 0.096 1 0 "[ . 1 . 2]"
1 148 ARG 1.318 0.417 7 0 "[ . 1 . 2]"
1 149 ILE 4.463 0.267 8 0 "[ . 1 . 2]"
1 150 GLY 1.343 0.153 2 0 "[ . 1 . 2]"
1 151 LYS 1.438 0.087 2 0 "[ . 1 . 2]"
1 154 SER 0.507 0.046 17 0 "[ . 1 . 2]"
1 155 ILE 0.578 0.046 17 0 "[ . 1 . 2]"
1 156 LEU 0.353 0.088 1 0 "[ . 1 . 2]"
1 157 LEU 0.314 0.031 11 0 "[ . 1 . 2]"
1 158 HIS 0.282 0.031 11 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 22 ARG H 1 22 ARG QD . . 4.940 3.826 2.025 4.789 . 0 0 "[ . 1 . 2]" 1
2 1 22 ARG H 1 23 LYS H . . 4.030 2.885 2.456 3.210 . 0 0 "[ . 1 . 2]" 1
3 1 22 ARG HA 1 24 LEU H . . 4.670 4.066 3.695 4.560 . 0 0 "[ . 1 . 2]" 1
4 1 22 ARG HA 1 25 VAL H . . 5.290 3.792 3.250 4.551 . 0 0 "[ . 1 . 2]" 1
5 1 22 ARG HA 1 25 VAL MG1 . . 3.890 2.823 2.308 3.528 . 0 0 "[ . 1 . 2]" 1
6 1 22 ARG HA 1 26 ALA H . . 4.990 4.069 3.641 4.633 . 0 0 "[ . 1 . 2]" 1
7 1 22 ARG HA 1 26 ALA MB . . 4.330 4.259 4.099 4.358 0.028 13 0 "[ . 1 . 2]" 1
8 1 22 ARG QD 1 23 LYS H . . 5.770 4.426 2.109 4.984 . 0 0 "[ . 1 . 2]" 1
9 1 23 LYS H 1 23 LYS QB . . 3.300 2.290 2.131 3.051 . 0 0 "[ . 1 . 2]" 1
10 1 23 LYS H 1 23 LYS QD . . 4.180 4.037 1.836 4.245 0.065 7 0 "[ . 1 . 2]" 1
11 1 23 LYS H 1 23 LYS QG . . 4.090 3.428 2.090 4.100 0.010 16 0 "[ . 1 . 2]" 1
12 1 23 LYS H 1 24 LEU H . . 3.900 2.692 2.227 3.097 . 0 0 "[ . 1 . 2]" 1
13 1 23 LYS H 1 24 LEU HB2 . . 5.570 4.850 4.256 5.503 . 0 0 "[ . 1 . 2]" 1
14 1 23 LYS HA 1 23 LYS QD . . 3.830 3.504 2.123 3.952 0.122 19 0 "[ . 1 . 2]" 1
15 1 23 LYS HA 1 23 LYS QE . . 4.840 4.421 3.509 4.879 0.039 6 0 "[ . 1 . 2]" 1
16 1 23 LYS HA 1 23 LYS QG . . 3.580 2.743 2.101 3.545 . 0 0 "[ . 1 . 2]" 1
17 1 23 LYS HA 1 26 ALA H . . 4.370 3.780 3.384 4.119 . 0 0 "[ . 1 . 2]" 1
18 1 23 LYS HA 1 26 ALA MB . . 3.080 2.539 2.166 3.019 . 0 0 "[ . 1 . 2]" 1
19 1 23 LYS QB 1 24 LEU H . . 3.650 3.080 2.711 3.698 0.048 15 0 "[ . 1 . 2]" 1
20 1 23 LYS QD 1 24 LEU QD . . 4.430 4.353 2.362 6.076 1.646 5 8 "[* * +** 1** . -2]" 1
21 1 23 LYS QG 1 24 LEU H . . 4.170 3.724 2.456 4.264 0.094 12 0 "[ . 1 . 2]" 1
22 1 24 LEU H 1 24 LEU HB2 . . 3.310 2.456 2.228 2.622 . 0 0 "[ . 1 . 2]" 1
23 1 24 LEU H 1 24 LEU HB3 . . 4.020 3.135 2.398 3.721 . 0 0 "[ . 1 . 2]" 1
24 1 24 LEU H 1 24 LEU QD . . 3.340 3.375 2.268 3.797 0.457 6 0 "[ . 1 . 2]" 1
25 1 24 LEU H 1 25 VAL H . . 3.980 2.592 2.216 2.931 . 0 0 "[ . 1 . 2]" 1
26 1 24 LEU H 1 25 VAL MG1 . . 4.410 4.433 4.329 4.477 0.067 18 0 "[ . 1 . 2]" 1
27 1 24 LEU H 1 26 ALA MB . . 4.940 4.457 4.162 4.802 . 0 0 "[ . 1 . 2]" 1
28 1 24 LEU HA 1 24 LEU QD . . 2.840 2.135 2.018 2.225 . 0 0 "[ . 1 . 2]" 1
29 1 24 LEU HA 1 26 ALA H . . 5.140 4.503 4.260 4.857 . 0 0 "[ . 1 . 2]" 1
30 1 24 LEU HB2 1 24 LEU QD . . 2.490 2.235 2.084 2.415 . 0 0 "[ . 1 . 2]" 1
31 1 24 LEU HB2 1 25 VAL H . . 3.980 3.224 2.438 3.993 0.013 15 0 "[ . 1 . 2]" 1
32 1 24 LEU HB3 1 25 VAL H . . 3.860 3.100 2.307 3.721 . 0 0 "[ . 1 . 2]" 1
33 1 24 LEU QD 1 25 VAL H . . 4.620 3.938 3.244 4.282 . 0 0 "[ . 1 . 2]" 1
34 1 24 LEU QD 1 27 SER H . . 5.360 4.743 3.774 5.938 0.578 12 1 "[ . 1 + . 2]" 1
35 1 24 LEU QD 1 70 ILE H . . 5.130 4.738 3.553 6.066 0.936 11 2 "[ . 1+- . 2]" 1
36 1 24 LEU QD 1 71 GLN H . . 5.280 4.684 3.389 6.136 0.856 12 1 "[ . 1 + . 2]" 1
37 1 24 LEU QD 1 71 GLN HA . . 3.210 2.706 1.940 4.175 0.965 12 2 "[ . -1 + . 2]" 1
38 1 24 LEU QD 1 71 GLN QB . . 4.100 3.669 2.225 5.072 0.972 12 2 "[ . -1 + . 2]" 1
39 1 24 LEU QD 1 71 GLN QG . . 3.990 2.953 2.209 4.101 0.111 12 0 "[ . 1 . 2]" 1
40 1 24 LEU QD 1 72 HIS H . . 5.720 5.342 4.419 6.750 1.030 12 2 "[ . -1 + . 2]" 1
41 1 24 LEU QD 1 90 GLY H . . 4.090 3.255 2.271 4.290 0.200 11 0 "[ . 1 . 2]" 1
42 1 24 LEU QD 1 90 GLY HA2 . . 3.390 2.392 1.888 3.337 . 0 0 "[ . 1 . 2]" 1
43 1 24 LEU QD 1 90 GLY HA3 . . 3.350 3.263 2.215 4.140 0.790 17 1 "[ . 1 . + 2]" 1
44 1 24 LEU QD 1 91 SER H . . 4.390 4.740 3.980 5.815 1.425 11 7 "[ * *.* -1+* . * 2]" 1
45 1 25 VAL H 1 25 VAL HB . . 4.110 2.280 2.109 2.548 . 0 0 "[ . 1 . 2]" 1
46 1 25 VAL H 1 25 VAL MG1 . . 3.150 2.747 2.438 3.150 . 0 0 "[ . 1 . 2]" 1
47 1 25 VAL H 1 26 ALA H . . 3.740 2.666 2.329 2.774 . 0 0 "[ . 1 . 2]" 1
48 1 25 VAL H 1 26 ALA MB . . 4.590 4.257 3.971 4.386 . 0 0 "[ . 1 . 2]" 1
49 1 25 VAL HA 1 25 VAL MG1 . . 3.140 3.159 3.046 3.194 0.054 8 0 "[ . 1 . 2]" 1
50 1 25 VAL HA 1 27 SER H . . 4.570 3.686 3.424 4.240 . 0 0 "[ . 1 . 2]" 1
51 1 25 VAL HA 1 28 MET H . . 4.790 4.069 3.691 4.790 0.000 3 0 "[ . 1 . 2]" 1
52 1 25 VAL HA 1 31 PHE HZ . . 4.990 5.042 5.008 5.066 0.076 17 0 "[ . 1 . 2]" 1
53 1 25 VAL HA 1 69 PHE QD . . 5.630 4.600 3.711 5.528 . 0 0 "[ . 1 . 2]" 1
54 1 25 VAL HA 1 69 PHE QE . . 5.800 3.673 2.136 4.713 . 0 0 "[ . 1 . 2]" 1
55 1 25 VAL HA 1 69 PHE HZ . . 4.960 4.439 2.667 4.966 0.006 2 0 "[ . 1 . 2]" 1
56 1 25 VAL HB 1 26 ALA H . . 4.130 3.741 3.438 3.905 . 0 0 "[ . 1 . 2]" 1
57 1 25 VAL MG1 1 26 ALA H . . 3.450 2.289 2.064 2.410 . 0 0 "[ . 1 . 2]" 1
58 1 25 VAL MG1 1 26 ALA HA . . 3.970 3.308 2.915 3.485 . 0 0 "[ . 1 . 2]" 1
59 1 25 VAL MG1 1 26 ALA MB . . 3.220 3.061 2.683 3.222 0.002 17 0 "[ . 1 . 2]" 1
60 1 25 VAL MG1 1 27 SER H . . 4.390 4.409 4.373 4.434 0.044 18 0 "[ . 1 . 2]" 1
61 1 25 VAL MG1 1 28 MET H . . 5.180 5.094 4.817 5.208 0.028 16 0 "[ . 1 . 2]" 1
62 1 25 VAL MG1 1 31 PHE HZ . . 4.130 3.869 3.455 4.140 0.010 14 0 "[ . 1 . 2]" 1
63 1 25 VAL MG1 1 39 VAL MG1 . . 3.530 3.424 3.253 3.570 0.040 16 0 "[ . 1 . 2]" 1
64 1 25 VAL MG1 1 39 VAL MG2 . . 3.650 2.936 1.909 3.464 . 0 0 "[ . 1 . 2]" 1
65 1 25 VAL MG1 1 42 MET ME . . 3.980 4.014 3.991 4.048 0.068 17 0 "[ . 1 . 2]" 1
66 1 25 VAL MG1 1 43 LEU MD1 . . 3.240 3.188 2.861 3.266 0.026 8 0 "[ . 1 . 2]" 1
67 1 25 VAL MG1 1 43 LEU MD2 . . 2.660 2.277 2.055 2.611 . 0 0 "[ . 1 . 2]" 1
68 1 25 VAL MG1 1 69 PHE HZ . . 4.920 4.810 4.237 4.965 0.045 4 0 "[ . 1 . 2]" 1
69 1 25 VAL MG2 1 69 PHE HZ . . 5.240 3.171 2.242 4.320 . 0 0 "[ . 1 . 2]" 1
70 1 26 ALA H 1 26 ALA MB . . 2.630 2.174 2.102 2.225 . 0 0 "[ . 1 . 2]" 1
71 1 26 ALA H 1 27 SER H . . 3.770 2.920 2.782 3.174 . 0 0 "[ . 1 . 2]" 1
72 1 26 ALA HA 1 27 SER HA . . 5.290 4.753 4.662 4.850 . 0 0 "[ . 1 . 2]" 1
73 1 26 ALA HA 1 28 MET H . . 4.480 3.785 3.427 4.184 . 0 0 "[ . 1 . 2]" 1
74 1 26 ALA MB 1 27 SER H . . 3.510 3.290 3.069 3.522 0.012 3 0 "[ . 1 . 2]" 1
75 1 26 ALA MB 1 27 SER HA . . 4.030 4.058 4.032 4.093 0.063 18 0 "[ . 1 . 2]" 1
76 1 26 ALA MB 1 28 MET H . . 4.710 4.574 4.392 4.715 0.005 20 0 "[ . 1 . 2]" 1
77 1 27 SER H 1 27 SER HB2 . . 3.640 2.519 2.187 3.686 0.046 9 0 "[ . 1 . 2]" 1
78 1 27 SER H 1 27 SER HB3 . . 3.430 3.068 2.338 3.541 0.111 18 0 "[ . 1 . 2]" 1
79 1 27 SER H 1 28 MET H . . 3.430 2.328 2.211 2.466 . 0 0 "[ . 1 . 2]" 1
80 1 27 SER H 1 28 MET HA . . 4.910 4.910 4.634 4.987 0.077 15 0 "[ . 1 . 2]" 1
81 1 27 SER H 1 28 MET HB2 . . 4.600 4.140 3.576 4.534 . 0 0 "[ . 1 . 2]" 1
82 1 27 SER H 1 28 MET HB3 . . 5.620 5.262 4.174 5.690 0.070 8 0 "[ . 1 . 2]" 1
83 1 27 SER H 1 31 PHE QB . . 5.800 4.334 4.017 4.724 . 0 0 "[ . 1 . 2]" 1
84 1 27 SER HA 1 27 SER HB2 . . 2.870 2.728 2.318 2.973 0.103 16 0 "[ . 1 . 2]" 1
85 1 27 SER HA 1 27 SER HB3 . . 2.910 2.706 2.447 2.992 0.082 10 0 "[ . 1 . 2]" 1
86 1 27 SER HB2 1 28 MET H . . 4.180 3.744 3.199 4.211 0.031 7 0 "[ . 1 . 2]" 1
87 1 27 SER HB3 1 28 MET H . . 4.640 3.701 2.749 4.218 . 0 0 "[ . 1 . 2]" 1
88 1 28 MET H 1 28 MET HB2 . . 3.730 2.207 2.048 2.669 . 0 0 "[ . 1 . 2]" 1
89 1 28 MET H 1 28 MET HB3 . . 3.800 3.091 2.190 3.519 . 0 0 "[ . 1 . 2]" 1
90 1 28 MET H 1 28 MET HG2 . . 4.130 3.896 3.225 4.233 0.103 7 0 "[ . 1 . 2]" 1
91 1 28 MET H 1 29 PRO HD3 . . 5.010 5.023 4.858 5.083 0.073 16 0 "[ . 1 . 2]" 1
92 1 28 MET H 1 31 PHE H . . 4.890 4.488 4.122 4.780 . 0 0 "[ . 1 . 2]" 1
93 1 28 MET H 1 31 PHE QB . . 4.690 3.345 2.834 3.952 . 0 0 "[ . 1 . 2]" 1
94 1 28 MET HA 1 28 MET HG2 . . 4.090 2.444 2.078 3.114 . 0 0 "[ . 1 . 2]" 1
95 1 28 MET HA 1 29 PRO HD3 . . 4.020 2.408 2.218 2.563 . 0 0 "[ . 1 . 2]" 1
96 1 28 MET HA 1 29 PRO QG . . 4.140 4.072 4.000 4.157 0.017 15 0 "[ . 1 . 2]" 1
97 1 28 MET HA 1 30 LEU H . . 5.160 4.136 3.816 4.344 . 0 0 "[ . 1 . 2]" 1
98 1 28 MET HA 1 31 PHE H . . 5.300 4.750 4.481 4.956 . 0 0 "[ . 1 . 2]" 1
99 1 28 MET HB2 1 31 PHE QD . . 4.830 2.884 2.156 3.962 . 0 0 "[ . 1 . 2]" 1
100 1 28 MET HB3 1 29 PRO HD2 . . 4.330 3.209 2.383 4.229 . 0 0 "[ . 1 . 2]" 1
101 1 28 MET HB3 1 30 LEU HB2 . . 5.250 4.238 2.779 5.288 0.038 1 0 "[ . 1 . 2]" 1
102 1 28 MET HB3 1 31 PHE H . . 4.800 3.258 2.809 3.459 . 0 0 "[ . 1 . 2]" 1
103 1 28 MET HB3 1 31 PHE QB . . 4.560 3.596 2.456 4.520 . 0 0 "[ . 1 . 2]" 1
104 1 28 MET HB3 1 31 PHE QD . . 5.400 2.563 2.104 3.323 . 0 0 "[ . 1 . 2]" 1
105 1 28 MET HB3 1 32 ALA H . . 5.540 5.530 5.119 5.621 0.081 12 0 "[ . 1 . 2]" 1
106 1 28 MET ME 1 28 MET HG2 . . 3.320 2.658 2.328 3.338 0.018 12 0 "[ . 1 . 2]" 1
107 1 28 MET ME 1 29 PRO HD3 . . 5.070 4.940 4.203 5.122 0.052 15 0 "[ . 1 . 2]" 1
108 1 28 MET ME 1 29 PRO QG . . 4.460 4.191 3.412 5.086 0.626 15 1 "[ . 1 + 2]" 1
109 1 28 MET ME 1 30 LEU H . . 5.280 3.536 2.982 3.979 . 0 0 "[ . 1 . 2]" 1
110 1 28 MET ME 1 30 LEU HB2 . . 4.390 3.235 2.591 4.402 0.012 3 0 "[ . 1 . 2]" 1
111 1 28 MET ME 1 30 LEU HB3 . . 4.360 3.116 2.201 4.375 0.015 13 0 "[ . 1 . 2]" 1
112 1 28 MET ME 1 30 LEU QD . . 2.970 2.322 1.963 2.758 . 0 0 "[ . 1 . 2]" 1
113 1 28 MET ME 1 31 PHE QD . . 3.880 3.563 2.421 4.987 1.107 3 2 "[ + . - 1 . 2]" 1
114 1 28 MET ME 1 67 MET ME . . 2.970 2.574 2.202 2.998 0.028 10 0 "[ . 1 . 2]" 1
115 1 28 MET ME 1 92 TYR QD . . 3.380 3.145 2.665 4.149 0.769 12 1 "[ . 1 + . 2]" 1
116 1 28 MET ME 1 92 TYR QE . . 3.560 2.885 2.383 3.584 0.024 16 0 "[ . 1 . 2]" 1
117 1 28 MET HG2 1 29 PRO HD2 . . 3.600 2.907 2.170 3.609 0.009 16 0 "[ . 1 . 2]" 1
118 1 28 MET HG2 1 92 TYR QD . . 5.390 3.590 2.657 5.198 . 0 0 "[ . 1 . 2]" 1
119 1 28 MET HG2 1 92 TYR QE . . 4.860 3.483 2.340 4.648 . 0 0 "[ . 1 . 2]" 1
120 1 28 MET HG3 1 92 TYR QD . . 4.650 4.006 3.029 4.662 0.012 8 0 "[ . 1 . 2]" 1
121 1 29 PRO HA 1 31 PHE H . . 4.700 3.712 3.396 3.965 . 0 0 "[ . 1 . 2]" 1
122 1 29 PRO HA 1 32 ALA H . . 4.170 3.449 2.938 3.884 . 0 0 "[ . 1 . 2]" 1
123 1 29 PRO HA 1 32 ALA MB . . 3.150 2.548 2.091 3.165 0.015 1 0 "[ . 1 . 2]" 1
124 1 29 PRO QB 1 30 LEU H . . 4.660 3.419 2.778 3.652 . 0 0 "[ . 1 . 2]" 1
125 1 29 PRO QB 1 32 ALA H . . 5.440 4.797 4.329 5.175 . 0 0 "[ . 1 . 2]" 1
126 1 29 PRO HD3 1 30 LEU H . . 5.160 3.986 3.779 4.304 . 0 0 "[ . 1 . 2]" 1
127 1 29 PRO HD3 1 92 TYR QE . . 5.490 3.917 2.468 5.504 0.014 1 0 "[ . 1 . 2]" 1
128 1 29 PRO QG 1 30 LEU H . . 4.870 2.705 2.318 3.900 . 0 0 "[ . 1 . 2]" 1
129 1 29 PRO QG 1 30 LEU HB3 . . 5.210 4.820 4.333 5.264 0.054 7 0 "[ . 1 . 2]" 1
130 1 30 LEU H 1 30 LEU HB2 . . 3.950 2.574 2.236 3.449 . 0 0 "[ . 1 . 2]" 1
131 1 30 LEU H 1 30 LEU QD . . 4.670 3.290 2.546 3.679 . 0 0 "[ . 1 . 2]" 1
132 1 30 LEU H 1 30 LEU HG . . 4.840 3.717 1.908 4.509 . 0 0 "[ . 1 . 2]" 1
133 1 30 LEU H 1 31 PHE QB . . 5.790 4.677 4.372 5.084 . 0 0 "[ . 1 . 2]" 1
134 1 30 LEU HA 1 30 LEU QD . . 3.540 2.956 2.256 3.349 . 0 0 "[ . 1 . 2]" 1
135 1 30 LEU HA 1 30 LEU HG . . 4.000 2.902 2.489 3.617 . 0 0 "[ . 1 . 2]" 1
136 1 30 LEU HA 1 32 ALA H . . 5.770 3.982 3.635 4.371 . 0 0 "[ . 1 . 2]" 1
137 1 30 LEU HB2 1 31 PHE H . . 4.940 3.908 3.083 4.601 . 0 0 "[ . 1 . 2]" 1
138 1 30 LEU HB3 1 30 LEU QD . . 2.520 2.117 2.056 2.162 . 0 0 "[ . 1 . 2]" 1
139 1 30 LEU HB3 1 31 PHE H . . 4.710 3.534 2.983 4.420 . 0 0 "[ . 1 . 2]" 1
140 1 30 LEU QD 1 31 PHE H . . 5.080 3.742 2.545 4.338 . 0 0 "[ . 1 . 2]" 1
141 1 30 LEU QD 1 124 PHE HZ . . 5.800 2.941 2.131 4.294 . 0 0 "[ . 1 . 2]" 1
142 1 30 LEU QD 1 138 PHE QD . . 4.350 3.947 3.221 4.519 0.169 5 0 "[ . 1 . 2]" 1
143 1 30 LEU QD 1 138 PHE QE . . 4.450 2.481 2.209 2.894 . 0 0 "[ . 1 . 2]" 1
144 1 30 LEU QD 1 138 PHE HZ . . 5.560 2.646 2.071 3.641 . 0 0 "[ . 1 . 2]" 1
145 1 31 PHE H 1 31 PHE QB . . 3.650 2.435 2.276 2.682 . 0 0 "[ . 1 . 2]" 1
146 1 31 PHE H 1 31 PHE QD . . 5.590 2.630 2.289 3.294 . 0 0 "[ . 1 . 2]" 1
147 1 31 PHE H 1 32 ALA H . . 3.640 2.462 2.275 2.656 . 0 0 "[ . 1 . 2]" 1
148 1 31 PHE H 1 32 ALA MB . . 3.910 3.904 3.809 3.945 0.035 2 0 "[ . 1 . 2]" 1
149 1 31 PHE H 1 34 ALA MB . . 4.720 4.736 4.592 4.762 0.042 6 0 "[ . 1 . 2]" 1
150 1 31 PHE HA 1 34 ALA MB . . 3.070 2.214 2.111 2.351 . 0 0 "[ . 1 . 2]" 1
151 1 31 PHE QB 1 32 ALA H . . 4.330 3.615 3.291 3.816 . 0 0 "[ . 1 . 2]" 1
152 1 31 PHE QB 1 34 ALA MB . . 4.090 2.659 2.155 3.070 . 0 0 "[ . 1 . 2]" 1
153 1 31 PHE QD 1 38 PHE QD . . 5.800 4.421 3.606 4.851 . 0 0 "[ . 1 . 2]" 1
154 1 31 PHE QD 1 38 PHE QE . . 5.060 3.791 2.532 4.416 . 0 0 "[ . 1 . 2]" 1
155 1 31 PHE QD 1 38 PHE HZ . . 5.760 5.461 3.590 5.800 0.040 1 0 "[ . 1 . 2]" 1
156 1 31 PHE QD 1 124 PHE QE . . 4.890 4.353 3.718 4.827 . 0 0 "[ . 1 . 2]" 1
157 1 31 PHE QD 1 138 PHE HZ . . 4.970 4.788 3.602 5.005 0.035 8 0 "[ . 1 . 2]" 1
158 1 31 PHE QE 1 98 LEU MD1 . . 5.340 4.636 2.366 5.380 0.040 3 0 "[ . 1 . 2]" 1
159 1 32 ALA H 1 32 ALA MB . . 2.660 2.111 2.022 2.155 . 0 0 "[ . 1 . 2]" 1
160 1 32 ALA H 1 33 ASN H . . 4.700 2.675 2.398 3.064 . 0 0 "[ . 1 . 2]" 1
161 1 32 ALA H 1 33 ASN HB3 . . 5.680 5.721 5.328 5.792 0.112 3 0 "[ . 1 . 2]" 1
162 1 32 ALA HA 1 33 ASN HD21 . . 4.890 4.868 4.312 4.959 0.069 9 0 "[ . 1 . 2]" 1
163 1 32 ALA MB 1 33 ASN H . . 4.480 2.465 2.273 2.657 . 0 0 "[ . 1 . 2]" 1
164 1 32 ALA MB 1 33 ASN HB2 . . 5.050 3.435 2.906 5.051 0.001 9 0 "[ . 1 . 2]" 1
165 1 32 ALA MB 1 33 ASN HB3 . . 4.370 4.253 3.501 4.424 0.054 17 0 "[ . 1 . 2]" 1
166 1 32 ALA MB 1 33 ASN HD21 . . 4.450 2.488 2.065 3.319 . 0 0 "[ . 1 . 2]" 1
167 1 32 ALA MB 1 33 ASN HD22 . . 4.240 3.565 2.675 4.276 0.036 12 0 "[ . 1 . 2]" 1
168 1 32 ALA MB 1 34 ALA H . . 4.180 4.236 4.199 4.261 0.081 16 0 "[ . 1 . 2]" 1
169 1 33 ASN H 1 33 ASN HD22 . . 5.240 4.488 2.805 5.205 . 0 0 "[ . 1 . 2]" 1
170 1 33 ASN H 1 34 ALA H . . 3.700 2.280 2.023 2.545 . 0 0 "[ . 1 . 2]" 1
171 1 33 ASN H 1 34 ALA MB . . 4.220 3.771 3.551 4.049 . 0 0 "[ . 1 . 2]" 1
172 1 33 ASN HA 1 34 ALA H . . 3.260 3.148 2.962 3.274 0.014 11 0 "[ . 1 . 2]" 1
173 1 33 ASN HA 1 34 ALA HA . . 4.930 4.827 4.732 4.934 0.004 4 0 "[ . 1 . 2]" 1
174 1 33 ASN HB2 1 34 ALA H . . 4.650 3.997 3.577 4.484 . 0 0 "[ . 1 . 2]" 1
175 1 33 ASN HB2 1 34 ALA HA . . 5.280 5.102 4.548 5.294 0.014 17 0 "[ . 1 . 2]" 1
176 1 33 ASN HB3 1 33 ASN HD21 . . 3.640 3.208 2.229 3.587 . 0 0 "[ . 1 . 2]" 1
177 1 33 ASN HB3 1 33 ASN HD22 . . 3.940 3.895 3.504 4.037 0.097 17 0 "[ . 1 . 2]" 1
178 1 33 ASN HB3 1 34 ALA H . . 4.410 4.212 3.879 4.484 0.074 2 0 "[ . 1 . 2]" 1
179 1 34 ALA H 1 34 ALA MB . . 2.790 2.237 2.146 2.320 . 0 0 "[ . 1 . 2]" 1
180 1 34 ALA H 1 35 ASP H . . 5.050 4.682 4.633 4.742 . 0 0 "[ . 1 . 2]" 1
181 1 34 ALA HA 1 35 ASP H . . 3.380 2.251 2.147 2.340 . 0 0 "[ . 1 . 2]" 1
182 1 34 ALA MB 1 35 ASP H . . 3.010 2.729 2.490 3.012 0.002 8 0 "[ . 1 . 2]" 1
183 1 34 ALA MB 1 38 PHE H . . 5.290 5.154 4.918 5.315 0.025 17 0 "[ . 1 . 2]" 1
184 1 34 ALA MB 1 38 PHE QB . . 4.380 3.723 3.431 3.974 . 0 0 "[ . 1 . 2]" 1
185 1 34 ALA MB 1 38 PHE QD . . 3.150 2.266 2.165 2.436 . 0 0 "[ . 1 . 2]" 1
186 1 34 ALA MB 1 39 VAL H . . 4.690 3.680 3.534 3.792 . 0 0 "[ . 1 . 2]" 1
187 1 34 ALA MB 1 39 VAL HA . . 4.240 4.264 4.059 4.311 0.071 10 0 "[ . 1 . 2]" 1
188 1 34 ALA MB 1 39 VAL MG1 . . 3.440 2.161 1.829 3.453 0.013 16 0 "[ . 1 . 2]" 1
189 1 34 ALA MB 1 39 VAL MG2 . . 3.430 3.402 3.074 3.501 0.071 5 0 "[ . 1 . 2]" 1
190 1 35 ASP H 1 35 ASP HB2 . . 3.870 2.599 2.366 2.875 . 0 0 "[ . 1 . 2]" 1
191 1 35 ASP H 1 35 ASP HB3 . . 3.900 2.452 2.309 2.713 . 0 0 "[ . 1 . 2]" 1
192 1 35 ASP H 1 36 PRO HD2 . . 5.120 4.950 4.860 4.995 . 0 0 "[ . 1 . 2]" 1
193 1 35 ASP H 1 37 ASN H . . 5.780 5.190 5.012 5.439 . 0 0 "[ . 1 . 2]" 1
194 1 35 ASP H 1 38 PHE QB . . 4.960 3.129 2.847 3.397 . 0 0 "[ . 1 . 2]" 1
195 1 35 ASP H 1 38 PHE QD . . 5.360 3.019 2.438 3.452 . 0 0 "[ . 1 . 2]" 1
196 1 35 ASP HA 1 36 PRO HD2 . . 3.090 2.262 2.109 2.377 . 0 0 "[ . 1 . 2]" 1
197 1 35 ASP HA 1 36 PRO HD3 . . 3.510 2.523 2.378 2.660 . 0 0 "[ . 1 . 2]" 1
198 1 35 ASP HA 1 38 PHE H . . 5.410 4.724 4.588 4.852 . 0 0 "[ . 1 . 2]" 1
199 1 35 ASP HB2 1 36 PRO HD2 . . 4.140 3.956 3.707 4.136 . 0 0 "[ . 1 . 2]" 1
200 1 35 ASP HB2 1 38 PHE H . . 5.510 4.476 4.348 4.553 . 0 0 "[ . 1 . 2]" 1
201 1 35 ASP HB2 1 38 PHE QB . . 5.050 3.707 3.582 3.805 . 0 0 "[ . 1 . 2]" 1
202 1 35 ASP HB2 1 39 VAL H . . 5.800 5.802 5.717 5.855 0.055 18 0 "[ . 1 . 2]" 1
203 1 35 ASP HB3 1 36 PRO HD2 . . 4.820 4.212 3.933 4.360 . 0 0 "[ . 1 . 2]" 1
204 1 35 ASP HB3 1 37 ASN H . . 5.480 3.680 3.209 4.035 . 0 0 "[ . 1 . 2]" 1
205 1 35 ASP HB3 1 38 PHE H . . 5.000 2.894 2.721 3.100 . 0 0 "[ . 1 . 2]" 1
206 1 36 PRO HA 1 38 PHE H . . 4.690 4.545 4.446 4.661 . 0 0 "[ . 1 . 2]" 1
207 1 36 PRO HA 1 39 VAL H . . 3.980 3.729 3.571 3.883 . 0 0 "[ . 1 . 2]" 1
208 1 36 PRO HA 1 39 VAL MG1 . . 3.160 2.878 1.954 3.181 0.021 18 0 "[ . 1 . 2]" 1
209 1 36 PRO HA 1 39 VAL MG2 . . 4.390 2.575 2.044 4.441 0.051 12 0 "[ . 1 . 2]" 1
210 1 36 PRO HA 1 40 THR H . . 4.830 4.365 4.113 4.597 . 0 0 "[ . 1 . 2]" 1
211 1 36 PRO HB2 1 37 ASN H . . 4.300 3.858 3.636 3.964 . 0 0 "[ . 1 . 2]" 1
212 1 36 PRO HB3 1 37 ASN H . . 4.460 4.449 4.390 4.481 0.021 20 0 "[ . 1 . 2]" 1
213 1 36 PRO HD2 1 37 ASN H . . 4.560 3.124 2.997 3.346 . 0 0 "[ . 1 . 2]" 1
214 1 36 PRO HD2 1 38 PHE H . . 5.730 4.767 4.579 5.001 . 0 0 "[ . 1 . 2]" 1
215 1 36 PRO QG 1 37 ASN H . . 3.830 2.848 2.611 2.969 . 0 0 "[ . 1 . 2]" 1
216 1 36 PRO QG 1 37 ASN HD22 . . 5.120 3.062 2.573 4.316 . 0 0 "[ . 1 . 2]" 1
217 1 36 PRO QG 1 38 PHE H . . 4.860 4.885 4.866 4.906 0.046 19 0 "[ . 1 . 2]" 1
218 1 37 ASN H 1 37 ASN HB2 . . 3.710 2.588 2.413 2.732 . 0 0 "[ . 1 . 2]" 1
219 1 37 ASN H 1 37 ASN HB3 . . 3.700 3.694 3.624 3.731 0.031 2 0 "[ . 1 . 2]" 1
220 1 37 ASN H 1 37 ASN HD21 . . 4.200 2.878 2.017 4.231 0.031 9 0 "[ . 1 . 2]" 1
221 1 37 ASN H 1 37 ASN HD22 . . 4.610 3.919 3.364 4.602 . 0 0 "[ . 1 . 2]" 1
222 1 37 ASN H 1 38 PHE H . . 3.710 2.181 2.047 2.441 . 0 0 "[ . 1 . 2]" 1
223 1 37 ASN H 1 38 PHE QB . . 4.850 3.795 3.615 4.040 . 0 0 "[ . 1 . 2]" 1
224 1 37 ASN H 1 39 VAL H . . 4.400 3.828 3.646 4.151 . 0 0 "[ . 1 . 2]" 1
225 1 37 ASN H 1 39 VAL MG1 . . 4.370 4.376 3.936 4.464 0.094 5 0 "[ . 1 . 2]" 1
226 1 37 ASN H 1 131 TYR QE . . 4.930 4.769 4.261 4.945 0.015 4 0 "[ . 1 . 2]" 1
227 1 37 ASN HA 1 37 ASN HD22 . . 4.870 4.327 3.641 4.804 . 0 0 "[ . 1 . 2]" 1
228 1 37 ASN HA 1 39 VAL H . . 5.050 4.591 4.369 4.776 . 0 0 "[ . 1 . 2]" 1
229 1 37 ASN HA 1 40 THR H . . 4.030 3.481 3.167 3.630 . 0 0 "[ . 1 . 2]" 1
230 1 37 ASN HA 1 40 THR HB . . 4.440 2.560 2.320 2.676 . 0 0 "[ . 1 . 2]" 1
231 1 37 ASN HA 1 40 THR MG . . 3.960 3.926 3.757 3.993 0.033 20 0 "[ . 1 . 2]" 1
232 1 37 ASN HA 1 41 ALA H . . 4.400 3.925 3.748 4.252 . 0 0 "[ . 1 . 2]" 1
233 1 37 ASN HB2 1 38 PHE H . . 5.300 2.740 2.609 3.016 . 0 0 "[ . 1 . 2]" 1
234 1 37 ASN HB2 1 39 VAL H . . 5.530 5.290 5.206 5.470 . 0 0 "[ . 1 . 2]" 1
235 1 37 ASN HB3 1 38 PHE H . . 4.650 3.830 3.710 3.976 . 0 0 "[ . 1 . 2]" 1
236 1 38 PHE H 1 38 PHE QD . . 4.170 4.061 3.898 4.165 . 0 0 "[ . 1 . 2]" 1
237 1 38 PHE H 1 39 VAL H . . 3.880 2.757 2.604 2.834 . 0 0 "[ . 1 . 2]" 1
238 1 38 PHE H 1 39 VAL MG1 . . 4.660 4.037 3.801 4.216 . 0 0 "[ . 1 . 2]" 1
239 1 38 PHE H 1 40 THR H . . 4.620 4.048 3.929 4.126 . 0 0 "[ . 1 . 2]" 1
240 1 38 PHE H 1 40 THR HB . . 5.160 5.117 4.989 5.174 0.014 16 0 "[ . 1 . 2]" 1
241 1 38 PHE H 1 41 ALA H . . 4.690 4.706 4.673 4.734 0.044 5 0 "[ . 1 . 2]" 1
242 1 38 PHE H 1 41 ALA MB . . 5.140 4.730 4.606 4.788 . 0 0 "[ . 1 . 2]" 1
243 1 38 PHE H 1 127 VAL MG2 . . 5.640 5.435 4.956 5.659 0.019 19 0 "[ . 1 . 2]" 1
244 1 38 PHE H 1 131 TYR QE . . 4.810 3.890 3.459 4.227 . 0 0 "[ . 1 . 2]" 1
245 1 38 PHE HA 1 41 ALA H . . 4.390 3.580 3.404 3.736 . 0 0 "[ . 1 . 2]" 1
246 1 38 PHE HA 1 41 ALA MB . . 3.650 2.850 2.565 3.014 . 0 0 "[ . 1 . 2]" 1
247 1 38 PHE HA 1 42 MET H . . 5.650 4.694 4.474 5.071 . 0 0 "[ . 1 . 2]" 1
248 1 38 PHE HA 1 127 VAL MG2 . . 4.450 3.076 2.614 3.323 . 0 0 "[ . 1 . 2]" 1
249 1 38 PHE QB 1 39 VAL H . . 4.610 2.532 2.335 2.652 . 0 0 "[ . 1 . 2]" 1
250 1 38 PHE QB 1 39 VAL MG1 . . 4.170 3.451 3.114 4.178 0.008 16 0 "[ . 1 . 2]" 1
251 1 38 PHE QD 1 39 VAL H . . 4.050 3.010 2.699 3.474 . 0 0 "[ . 1 . 2]" 1
252 1 38 PHE QD 1 39 VAL HA . . 5.430 3.770 3.452 4.220 . 0 0 "[ . 1 . 2]" 1
253 1 38 PHE QD 1 128 LEU HA . . 4.890 3.459 2.938 4.080 . 0 0 "[ . 1 . 2]" 1
254 1 38 PHE QD 1 131 TYR QD . . 4.380 2.378 2.192 2.698 . 0 0 "[ . 1 . 2]" 1
255 1 38 PHE QE 1 42 MET ME . . 2.970 2.801 2.559 2.974 0.004 5 0 "[ . 1 . 2]" 1
256 1 38 PHE QE 1 124 PHE QD . . 5.370 4.274 3.547 4.709 . 0 0 "[ . 1 . 2]" 1
257 1 38 PHE QE 1 124 PHE QE . . 5.800 3.682 3.247 4.072 . 0 0 "[ . 1 . 2]" 1
258 1 38 PHE QE 1 124 PHE HZ . . 5.800 3.829 3.185 5.266 . 0 0 "[ . 1 . 2]" 1
259 1 38 PHE QE 1 127 VAL H . . 5.800 4.950 4.406 5.192 . 0 0 "[ . 1 . 2]" 1
260 1 38 PHE QE 1 128 LEU H . . 4.940 3.186 2.955 3.482 . 0 0 "[ . 1 . 2]" 1
261 1 38 PHE QE 1 128 LEU HA . . 3.930 2.451 2.174 2.680 . 0 0 "[ . 1 . 2]" 1
262 1 38 PHE HZ 1 42 MET ME . . 3.380 2.723 2.413 3.016 . 0 0 "[ . 1 . 2]" 1
263 1 38 PHE HZ 1 124 PHE QD . . 4.770 3.890 3.420 4.518 . 0 0 "[ . 1 . 2]" 1
264 1 38 PHE HZ 1 124 PHE QE . . 5.800 2.696 2.170 3.330 . 0 0 "[ . 1 . 2]" 1
265 1 38 PHE HZ 1 124 PHE HZ . . 5.800 3.266 2.626 4.477 . 0 0 "[ . 1 . 2]" 1
266 1 38 PHE HZ 1 128 LEU HA . . 4.360 4.271 4.000 4.400 0.040 1 0 "[ . 1 . 2]" 1
267 1 38 PHE HZ 1 128 LEU MD1 . . 5.800 3.753 2.222 5.392 . 0 0 "[ . 1 . 2]" 1
268 1 38 PHE HZ 1 128 LEU MD2 . . 5.800 3.391 2.409 5.808 0.008 11 0 "[ . 1 . 2]" 1
269 1 38 PHE HZ 1 138 PHE QE . . 3.580 3.297 2.477 3.596 0.016 19 0 "[ . 1 . 2]" 1
270 1 38 PHE HZ 1 138 PHE HZ . . 4.770 4.332 2.947 4.780 0.010 18 0 "[ . 1 . 2]" 1
271 1 39 VAL H 1 39 VAL HB . . 3.720 3.395 2.254 3.708 . 0 0 "[ . 1 . 2]" 1
272 1 39 VAL H 1 39 VAL MG1 . . 3.060 2.029 1.917 2.386 . 0 0 "[ . 1 . 2]" 1
273 1 39 VAL H 1 39 VAL MG2 . . 4.000 2.655 2.261 3.722 . 0 0 "[ . 1 . 2]" 1
274 1 39 VAL H 1 40 THR H . . 3.640 2.697 2.661 2.744 . 0 0 "[ . 1 . 2]" 1
275 1 39 VAL H 1 41 ALA MB . . 5.470 5.054 4.849 5.182 . 0 0 "[ . 1 . 2]" 1
276 1 39 VAL HA 1 39 VAL MG1 . . 3.450 2.522 2.289 3.262 . 0 0 "[ . 1 . 2]" 1
277 1 39 VAL HA 1 39 VAL MG2 . . 3.440 3.072 2.273 3.286 . 0 0 "[ . 1 . 2]" 1
278 1 39 VAL HA 1 41 ALA H . . 5.590 4.668 4.476 4.844 . 0 0 "[ . 1 . 2]" 1
279 1 39 VAL HA 1 42 MET H . . 4.190 4.024 3.785 4.239 0.049 9 0 "[ . 1 . 2]" 1
280 1 39 VAL HA 1 42 MET ME . . 3.410 2.350 1.995 2.790 . 0 0 "[ . 1 . 2]" 1
281 1 39 VAL HB 1 40 THR H . . 3.930 3.958 3.931 3.982 0.052 14 0 "[ . 1 . 2]" 1
282 1 39 VAL MG1 1 40 THR H . . 3.720 3.488 2.370 3.780 0.060 20 0 "[ . 1 . 2]" 1
283 1 39 VAL MG2 1 40 THR H . . 4.110 2.742 2.379 4.074 . 0 0 "[ . 1 . 2]" 1
284 1 39 VAL MG2 1 41 ALA H . . 5.610 4.793 4.488 5.629 0.019 3 0 "[ . 1 . 2]" 1
285 1 40 THR H 1 40 THR HB . . 3.480 2.455 2.351 2.519 . 0 0 "[ . 1 . 2]" 1
286 1 40 THR H 1 40 THR MG . . 3.750 3.769 3.747 3.786 0.036 11 0 "[ . 1 . 2]" 1
287 1 40 THR H 1 41 ALA H . . 3.740 2.569 2.402 2.693 . 0 0 "[ . 1 . 2]" 1
288 1 40 THR H 1 41 ALA MB . . 4.880 4.199 4.010 4.312 . 0 0 "[ . 1 . 2]" 1
289 1 40 THR H 1 42 MET H . . 3.910 3.958 3.929 4.009 0.099 18 0 "[ . 1 . 2]" 1
290 1 40 THR HA 1 40 THR MG . . 2.900 2.357 2.304 2.448 . 0 0 "[ . 1 . 2]" 1
291 1 40 THR HA 1 43 LEU H . . 4.380 3.579 3.238 3.738 . 0 0 "[ . 1 . 2]" 1
292 1 40 THR HA 1 43 LEU HB2 . . 4.070 3.765 3.348 4.079 0.009 17 0 "[ . 1 . 2]" 1
293 1 40 THR HA 1 43 LEU MD1 . . 3.560 2.372 2.221 2.577 . 0 0 "[ . 1 . 2]" 1
294 1 40 THR HA 1 44 THR H . . 5.800 5.698 5.329 5.840 0.040 11 0 "[ . 1 . 2]" 1
295 1 40 THR HB 1 41 ALA H . . 3.340 2.752 2.604 2.904 . 0 0 "[ . 1 . 2]" 1
296 1 40 THR HB 1 41 ALA MB . . 5.170 4.063 3.948 4.214 . 0 0 "[ . 1 . 2]" 1
297 1 40 THR MG 1 41 ALA H . . 3.720 3.490 3.356 3.592 . 0 0 "[ . 1 . 2]" 1
298 1 40 THR MG 1 41 ALA HA . . 3.460 3.487 3.468 3.515 0.055 15 0 "[ . 1 . 2]" 1
299 1 40 THR MG 1 41 ALA MB . . 4.180 4.099 4.009 4.183 0.003 7 0 "[ . 1 . 2]" 1
300 1 40 THR MG 1 43 LEU HG . . 3.780 3.797 3.737 3.822 0.042 3 0 "[ . 1 . 2]" 1
301 1 40 THR MG 1 44 THR H . . 5.220 5.096 4.680 5.260 0.040 1 0 "[ . 1 . 2]" 1
302 1 41 ALA H 1 41 ALA MB . . 2.940 2.187 2.165 2.212 . 0 0 "[ . 1 . 2]" 1
303 1 41 ALA H 1 42 MET H . . 3.760 2.671 2.537 2.888 . 0 0 "[ . 1 . 2]" 1
304 1 41 ALA H 1 42 MET HA . . 5.550 5.325 5.192 5.489 . 0 0 "[ . 1 . 2]" 1
305 1 41 ALA H 1 127 VAL MG1 . . 5.690 5.643 5.112 5.728 0.038 1 0 "[ . 1 . 2]" 1
306 1 41 ALA H 1 127 VAL MG2 . . 4.810 3.992 3.638 4.151 . 0 0 "[ . 1 . 2]" 1
307 1 41 ALA MB 1 42 MET H . . 3.130 2.952 2.809 3.036 . 0 0 "[ . 1 . 2]" 1
308 1 41 ALA MB 1 127 VAL HA . . 4.800 4.667 4.222 4.817 0.017 4 0 "[ . 1 . 2]" 1
309 1 42 MET H 1 42 MET HB2 . . 3.750 2.293 1.961 3.745 . 0 0 "[ . 1 . 2]" 1
310 1 42 MET H 1 42 MET HB3 . . 3.910 2.692 2.419 3.569 . 0 0 "[ . 1 . 2]" 1
311 1 42 MET H 1 42 MET ME . . 4.020 3.672 3.281 3.845 . 0 0 "[ . 1 . 2]" 1
312 1 42 MET H 1 42 MET QG . . 4.420 3.707 2.563 3.940 . 0 0 "[ . 1 . 2]" 1
313 1 42 MET H 1 43 LEU MD1 . . 4.940 4.902 4.779 4.962 0.022 12 0 "[ . 1 . 2]" 1
314 1 42 MET H 1 127 VAL MG1 . . 4.360 4.029 3.358 4.366 0.006 18 0 "[ . 1 . 2]" 1
315 1 42 MET H 1 127 VAL MG2 . . 4.270 3.141 2.848 3.683 . 0 0 "[ . 1 . 2]" 1
316 1 42 MET HA 1 42 MET ME . . 4.870 3.962 3.763 4.363 . 0 0 "[ . 1 . 2]" 1
317 1 42 MET HA 1 44 THR H . . 4.430 4.171 3.744 4.447 0.017 16 0 "[ . 1 . 2]" 1
318 1 42 MET HA 1 127 VAL MG1 . . 3.550 2.892 2.256 3.583 0.033 18 0 "[ . 1 . 2]" 1
319 1 42 MET HA 1 127 VAL MG2 . . 4.050 3.164 2.770 3.910 . 0 0 "[ . 1 . 2]" 1
320 1 42 MET HB3 1 42 MET ME . . 3.960 2.912 2.126 4.004 0.044 19 0 "[ . 1 . 2]" 1
321 1 42 MET ME 1 42 MET QG . . 2.680 2.524 2.049 2.700 0.020 5 0 "[ . 1 . 2]" 1
322 1 42 MET ME 1 43 LEU H . . 5.490 5.258 4.928 5.452 . 0 0 "[ . 1 . 2]" 1
323 1 42 MET ME 1 124 PHE HA . . 3.280 3.264 2.879 3.337 0.057 18 0 "[ . 1 . 2]" 1
324 1 42 MET ME 1 124 PHE QD . . 3.100 3.097 2.470 3.553 0.453 5 0 "[ . 1 . 2]" 1
325 1 42 MET ME 1 124 PHE QE . . 3.330 2.882 2.319 3.333 0.003 5 0 "[ . 1 . 2]" 1
326 1 42 MET ME 1 124 PHE HZ . . 4.200 3.689 3.142 4.220 0.020 11 0 "[ . 1 . 2]" 1
327 1 42 MET ME 1 127 VAL MG1 . . 2.660 2.116 1.960 2.347 . 0 0 "[ . 1 . 2]" 1
328 1 42 MET ME 1 127 VAL MG2 . . 3.020 3.061 3.037 3.078 0.058 17 0 "[ . 1 . 2]" 1
329 1 42 MET ME 1 128 LEU H . . 4.830 4.699 4.213 4.850 0.020 18 0 "[ . 1 . 2]" 1
330 1 42 MET QG 1 124 PHE H . . 5.200 4.662 4.224 5.231 0.031 9 0 "[ . 1 . 2]" 1
331 1 42 MET QG 1 124 PHE QD . . 4.440 4.014 3.467 4.388 . 0 0 "[ . 1 . 2]" 1
332 1 43 LEU H 1 43 LEU HB3 . . 3.730 3.603 3.559 3.651 . 0 0 "[ . 1 . 2]" 1
333 1 43 LEU H 1 43 LEU MD1 . . 3.730 3.612 3.536 3.730 0.000 9 0 "[ . 1 . 2]" 1
334 1 43 LEU H 1 43 LEU MD2 . . 3.140 3.075 2.914 3.159 0.019 7 0 "[ . 1 . 2]" 1
335 1 43 LEU H 1 43 LEU HG . . 3.320 2.103 1.971 2.215 . 0 0 "[ . 1 . 2]" 1
336 1 43 LEU H 1 44 THR H . . 4.110 2.593 2.461 2.768 . 0 0 "[ . 1 . 2]" 1
337 1 43 LEU HA 1 43 LEU MD1 . . 3.980 3.909 3.861 3.958 . 0 0 "[ . 1 . 2]" 1
338 1 43 LEU HA 1 43 LEU MD2 . . 3.220 2.275 2.178 2.388 . 0 0 "[ . 1 . 2]" 1
339 1 43 LEU HA 1 45 LYS H . . 5.080 4.051 3.670 4.266 . 0 0 "[ . 1 . 2]" 1
340 1 43 LEU HA 1 46 LEU H . . 4.180 3.616 3.319 3.959 . 0 0 "[ . 1 . 2]" 1
341 1 43 LEU HA 1 46 LEU MD1 . . 3.370 3.010 2.123 3.449 0.079 10 0 "[ . 1 . 2]" 1
342 1 43 LEU HA 1 46 LEU MD2 . . 4.110 3.274 2.389 4.151 0.041 6 0 "[ . 1 . 2]" 1
343 1 43 LEU HB2 1 44 THR H . . 4.630 3.265 2.933 3.400 . 0 0 "[ . 1 . 2]" 1
344 1 43 LEU MD1 1 44 THR H . . 5.030 4.997 4.711 5.064 0.034 8 0 "[ . 1 . 2]" 1
345 1 43 LEU MD2 1 44 THR H . . 5.640 4.684 4.587 4.785 . 0 0 "[ . 1 . 2]" 1
346 1 43 LEU HG 1 44 THR H . . 4.650 4.403 4.195 4.504 . 0 0 "[ . 1 . 2]" 1
347 1 44 THR H 1 44 THR HB . . 3.910 3.248 2.123 3.686 . 0 0 "[ . 1 . 2]" 1
348 1 44 THR H 1 44 THR MG . . 2.720 2.181 1.971 2.683 . 0 0 "[ . 1 . 2]" 1
349 1 44 THR H 1 45 LYS H . . 4.140 2.988 2.608 3.167 . 0 0 "[ . 1 . 2]" 1
350 1 44 THR H 1 45 LYS QG . . 4.720 4.455 3.836 4.750 0.030 2 0 "[ . 1 . 2]" 1
351 1 44 THR H 1 46 LEU H . . 4.890 4.373 4.181 4.663 . 0 0 "[ . 1 . 2]" 1
352 1 44 THR HA 1 44 THR MG . . 3.260 2.625 2.295 3.273 0.013 10 0 "[ . 1 . 2]" 1
353 1 44 THR HA 1 46 LEU H . . 4.560 4.175 3.923 4.427 . 0 0 "[ . 1 . 2]" 1
354 1 44 THR MG 1 45 LYS H . . 4.220 3.649 2.213 4.240 0.020 3 0 "[ . 1 . 2]" 1
355 1 45 LYS H 1 45 LYS HE2 . . 4.770 4.325 2.365 4.828 0.058 6 0 "[ . 1 . 2]" 1
356 1 45 LYS H 1 45 LYS QG . . 4.320 2.313 2.086 2.669 . 0 0 "[ . 1 . 2]" 1
357 1 45 LYS H 1 46 LEU H . . 3.550 2.474 2.172 2.769 . 0 0 "[ . 1 . 2]" 1
358 1 45 LYS H 1 46 LEU HA . . 4.510 4.381 4.031 4.608 0.098 19 0 "[ . 1 . 2]" 1
359 1 45 LYS HA 1 45 LYS HE3 . . 4.830 4.156 3.745 4.882 0.052 19 0 "[ . 1 . 2]" 1
360 1 45 LYS QB 1 45 LYS HE2 . . 4.100 3.652 3.222 4.109 0.009 15 0 "[ . 1 . 2]" 1
361 1 45 LYS HE2 1 119 LEU QD . . 3.950 4.020 1.914 4.880 0.930 7 6 "[ . +*** - *. 2]" 1
362 1 45 LYS HE2 1 119 LEU HG . . 5.000 4.858 2.993 5.062 0.062 9 0 "[ . 1 . 2]" 1
363 1 45 LYS HE3 1 46 LEU H . . 5.470 4.463 2.880 5.108 . 0 0 "[ . 1 . 2]" 1
364 1 45 LYS HE3 1 46 LEU HA . . 4.000 3.503 2.274 4.052 0.052 1 0 "[ . 1 . 2]" 1
365 1 45 LYS QG 1 123 ASN QD . . 5.800 4.028 3.091 5.507 . 0 0 "[ . 1 . 2]" 1
366 1 46 LEU H 1 46 LEU MD1 . . 4.120 3.828 2.915 4.130 0.010 17 0 "[ . 1 . 2]" 1
367 1 46 LEU H 1 47 LYS H . . 4.630 4.634 4.542 4.667 0.037 14 0 "[ . 1 . 2]" 1
368 1 46 LEU H 1 47 LYS QE . . 5.000 4.935 4.643 5.085 0.085 18 0 "[ . 1 . 2]" 1
369 1 46 LEU HA 1 46 LEU MD1 . . 3.960 2.898 1.943 3.902 . 0 0 "[ . 1 . 2]" 1
370 1 46 LEU HA 1 46 LEU MD2 . . 3.740 3.180 2.066 3.846 0.106 19 0 "[ . 1 . 2]" 1
371 1 46 LEU HA 1 119 LEU QD . . 3.950 4.269 2.135 4.771 0.821 10 13 "[ *-*** **+ * *** * 2]" 1
372 1 46 LEU HA 1 119 LEU HG . . 4.370 4.016 2.123 4.470 0.100 2 0 "[ . 1 . 2]" 1
373 1 46 LEU HA 1 120 SER H . . 5.430 5.347 4.936 5.512 0.082 10 0 "[ . 1 . 2]" 1
374 1 46 LEU QB 1 47 LYS H . . 4.220 3.325 2.192 3.765 . 0 0 "[ . 1 . 2]" 1
375 1 46 LEU MD1 1 47 LYS H . . 4.720 2.951 1.662 4.737 0.017 12 0 "[ . 1 . 2]" 1
376 1 46 LEU MD1 1 69 PHE HZ . . 5.800 4.201 2.452 5.829 0.029 18 0 "[ . 1 . 2]" 1
377 1 46 LEU MD1 1 117 TYR HB3 . . 4.940 4.625 3.852 4.987 0.047 17 0 "[ . 1 . 2]" 1
378 1 46 LEU MD1 1 117 TYR QD . . 3.820 3.015 2.112 4.238 0.418 5 0 "[ . 1 . 2]" 1
379 1 46 LEU MD1 1 117 TYR QE . . 4.890 3.508 2.099 4.452 . 0 0 "[ . 1 . 2]" 1
380 1 46 LEU MD2 1 47 LYS H . . 4.080 3.219 1.878 4.094 0.014 4 0 "[ . 1 . 2]" 1
381 1 46 LEU MD2 1 69 PHE HZ . . 5.800 3.473 2.316 4.993 . 0 0 "[ . 1 . 2]" 1
382 1 46 LEU MD2 1 117 TYR HB3 . . 4.360 3.934 3.016 4.432 0.072 19 0 "[ . 1 . 2]" 1
383 1 46 LEU MD2 1 117 TYR QD . . 3.350 2.386 2.040 3.088 . 0 0 "[ . 1 . 2]" 1
384 1 46 LEU MD2 1 117 TYR QE . . 4.980 3.090 2.337 3.819 . 0 0 "[ . 1 . 2]" 1
385 1 46 LEU MD2 1 118 SER H . . 4.660 3.990 2.949 4.695 0.035 3 0 "[ . 1 . 2]" 1
386 1 46 LEU MD2 1 119 LEU HA . . 4.990 3.886 2.581 5.031 0.041 20 0 "[ . 1 . 2]" 1
387 1 46 LEU MD2 1 119 LEU HG . . 2.960 2.797 2.121 3.035 0.075 16 0 "[ . 1 . 2]" 1
388 1 47 LYS H 1 47 LYS HB3 . . 4.090 2.992 2.680 3.347 . 0 0 "[ . 1 . 2]" 1
389 1 47 LYS H 1 47 LYS QD . . 5.260 4.605 2.125 5.032 . 0 0 "[ . 1 . 2]" 1
390 1 47 LYS H 1 47 LYS HG2 . . 4.960 4.797 3.786 4.968 0.008 1 0 "[ . 1 . 2]" 1
391 1 47 LYS H 1 48 PHE H . . 4.980 4.494 4.403 4.604 . 0 0 "[ . 1 . 2]" 1
392 1 47 LYS H 1 118 SER H . . 4.240 3.765 3.187 4.266 0.026 17 0 "[ . 1 . 2]" 1
393 1 47 LYS H 1 119 LEU HG . . 5.150 4.781 1.830 5.184 0.034 20 0 "[ . 1 . 2]" 1
394 1 47 LYS HA 1 47 LYS QE . . 3.820 2.269 1.928 3.853 0.033 6 0 "[ . 1 . 2]" 1
395 1 47 LYS HA 1 47 LYS HG2 . . 3.810 3.571 2.817 3.725 . 0 0 "[ . 1 . 2]" 1
396 1 47 LYS HA 1 48 PHE H . . 3.220 2.169 1.998 2.315 . 0 0 "[ . 1 . 2]" 1
397 1 47 LYS HB2 1 48 PHE H . . 4.200 4.148 2.607 4.266 0.066 2 0 "[ . 1 . 2]" 1
398 1 47 LYS HB3 1 47 LYS QD . . 3.420 3.335 2.794 3.427 0.007 11 0 "[ . 1 . 2]" 1
399 1 47 LYS HB3 1 48 PHE H . . 4.500 3.597 3.205 3.921 . 0 0 "[ . 1 . 2]" 1
400 1 47 LYS QD 1 47 LYS QE . . 2.400 2.121 2.031 2.149 . 0 0 "[ . 1 . 2]" 1
401 1 47 LYS QD 1 48 PHE H . . 4.700 4.286 3.978 4.711 0.011 18 0 "[ . 1 . 2]" 1
402 1 47 LYS QE 1 47 LYS HG2 . . 3.480 3.379 3.340 3.500 0.020 6 0 "[ . 1 . 2]" 1
403 1 47 LYS QE 1 47 LYS HG3 . . 3.080 2.564 2.336 2.943 . 0 0 "[ . 1 . 2]" 1
404 1 47 LYS HG2 1 48 PHE H . . 3.980 3.789 2.974 4.008 0.028 9 0 "[ . 1 . 2]" 1
405 1 47 LYS HG2 1 118 SER H . . 5.800 5.706 4.235 5.872 0.072 18 0 "[ . 1 . 2]" 1
406 1 47 LYS HG3 1 48 PHE H . . 4.860 2.478 2.101 4.609 . 0 0 "[ . 1 . 2]" 1
407 1 47 LYS O 1 118 SER H . . 2.000 1.913 1.831 2.034 0.034 6 0 "[ . 1 . 2]" 1
408 1 47 LYS O 1 118 SER N . . 3.000 2.917 2.831 3.048 0.048 6 0 "[ . 1 . 2]" 1
409 1 48 PHE H 1 48 PHE HB2 . . 3.790 3.660 3.065 3.874 0.084 18 0 "[ . 1 . 2]" 1
410 1 48 PHE H 1 48 PHE HB3 . . 3.640 2.625 2.246 3.186 . 0 0 "[ . 1 . 2]" 1
411 1 48 PHE H 1 48 PHE QD . . 3.860 3.183 2.773 3.891 0.031 3 0 "[ . 1 . 2]" 1
412 1 48 PHE H 1 117 TYR HA . . 5.100 4.877 4.713 5.097 . 0 0 "[ . 1 . 2]" 1
413 1 48 PHE HA 1 49 GLU H . . 3.490 2.276 2.143 2.377 . 0 0 "[ . 1 . 2]" 1
414 1 48 PHE HA 1 117 TYR HA . . 4.270 2.147 1.958 2.386 . 0 0 "[ . 1 . 2]" 1
415 1 48 PHE HA 1 118 SER H . . 4.220 3.167 2.493 3.686 . 0 0 "[ . 1 . 2]" 1
416 1 48 PHE HB2 1 49 GLU H . . 4.480 3.172 2.518 4.103 . 0 0 "[ . 1 . 2]" 1
417 1 48 PHE HB3 1 49 GLU H . . 4.490 4.205 3.864 4.409 . 0 0 "[ . 1 . 2]" 1
418 1 48 PHE QD 1 49 GLU H . . 3.950 2.820 2.393 3.508 . 0 0 "[ . 1 . 2]" 1
419 1 48 PHE QD 1 115 ARG HB3 . . 4.950 4.033 3.197 4.990 0.040 13 0 "[ . 1 . 2]" 1
420 1 48 PHE QD 1 115 ARG HD2 . . 4.600 3.521 2.495 4.626 0.026 9 0 "[ . 1 . 2]" 1
421 1 48 PHE QD 1 116 LEU H . . 5.160 3.826 3.414 4.685 . 0 0 "[ . 1 . 2]" 1
422 1 48 PHE QD 1 117 TYR HA . . 4.560 4.496 3.834 4.625 0.065 20 0 "[ . 1 . 2]" 1
423 1 48 PHE QE 1 50 VAL MG2 . . 2.880 2.325 2.048 2.887 0.007 18 0 "[ . 1 . 2]" 1
424 1 48 PHE QE 1 115 ARG HB3 . . 4.620 4.000 2.251 4.696 0.076 7 0 "[ . 1 . 2]" 1
425 1 48 PHE QE 1 115 ARG HD2 . . 3.960 2.482 2.073 3.959 . 0 0 "[ . 1 . 2]" 1
426 1 48 PHE QE 1 115 ARG HD3 . . 3.870 3.116 2.176 3.882 0.012 1 0 "[ . 1 . 2]" 1
427 1 48 PHE QE 1 115 ARG QG . . 4.030 3.472 2.196 4.559 0.529 2 1 "[ + . 1 . 2]" 1
428 1 49 GLU H 1 49 GLU QG . . 4.210 3.841 2.829 4.275 0.065 1 0 "[ . 1 . 2]" 1
429 1 49 GLU H 1 50 VAL H . . 4.450 4.432 4.336 4.467 0.017 7 0 "[ . 1 . 2]" 1
430 1 49 GLU H 1 115 ARG HA . . 5.570 4.820 4.561 4.977 . 0 0 "[ . 1 . 2]" 1
431 1 49 GLU H 1 116 LEU H . . 4.350 3.339 3.167 3.462 . 0 0 "[ . 1 . 2]" 1
432 1 49 GLU H 1 116 LEU O . . 2.000 1.916 1.782 2.013 0.013 17 0 "[ . 1 . 2]" 1
433 1 49 GLU H 1 117 TYR H . . 5.600 4.660 4.377 4.958 . 0 0 "[ . 1 . 2]" 1
434 1 49 GLU H 1 117 TYR HA . . 4.260 3.111 2.831 3.431 . 0 0 "[ . 1 . 2]" 1
435 1 49 GLU H 1 117 TYR HB2 . . 5.290 5.287 5.034 5.380 0.090 9 0 "[ . 1 . 2]" 1
436 1 49 GLU H 1 118 SER H . . 4.780 4.639 4.226 4.824 0.044 18 0 "[ . 1 . 2]" 1
437 1 49 GLU HA 1 50 VAL H . . 3.060 2.316 2.190 2.436 . 0 0 "[ . 1 . 2]" 1
438 1 49 GLU HA 1 50 VAL MG2 . . 3.410 3.360 3.160 3.439 0.029 17 0 "[ . 1 . 2]" 1
439 1 49 GLU HA 1 116 LEU H . . 5.800 4.906 4.772 4.991 . 0 0 "[ . 1 . 2]" 1
440 1 49 GLU HB2 1 50 VAL H . . 4.050 3.935 2.807 4.090 0.040 18 0 "[ . 1 . 2]" 1
441 1 49 GLU HB2 1 118 SER H . . 5.800 5.428 4.707 5.879 0.079 10 0 "[ . 1 . 2]" 1
442 1 49 GLU HB3 1 50 VAL H . . 4.170 3.460 2.508 4.111 . 0 0 "[ . 1 . 2]" 1
443 1 49 GLU QG 1 50 VAL H . . 3.720 2.834 1.968 3.741 0.021 9 0 "[ . 1 . 2]" 1
444 1 49 GLU N 1 116 LEU O . . 3.000 2.927 2.794 3.013 0.013 13 0 "[ . 1 . 2]" 1
445 1 49 GLU O 1 116 LEU H . . 2.000 1.801 1.742 1.921 . 0 0 "[ . 1 . 2]" 1
446 1 49 GLU O 1 116 LEU N . . 3.000 2.782 2.725 2.899 . 0 0 "[ . 1 . 2]" 1
447 1 50 VAL H 1 50 VAL MG2 . . 2.690 2.701 2.601 2.735 0.045 15 0 "[ . 1 . 2]" 1
448 1 50 VAL H 1 51 PHE H . . 4.630 4.463 4.371 4.509 . 0 0 "[ . 1 . 2]" 1
449 1 50 VAL H 1 115 ARG HA . . 5.030 5.062 4.981 5.133 0.103 16 0 "[ . 1 . 2]" 1
450 1 50 VAL H 1 116 LEU H . . 5.310 4.757 4.617 4.872 . 0 0 "[ . 1 . 2]" 1
451 1 50 VAL HA 1 50 VAL MG1 . . 3.190 2.437 2.282 2.517 . 0 0 "[ . 1 . 2]" 1
452 1 50 VAL HA 1 50 VAL MG2 . . 2.940 2.395 2.292 2.603 . 0 0 "[ . 1 . 2]" 1
453 1 50 VAL HA 1 51 PHE H . . 3.340 2.158 2.100 2.232 . 0 0 "[ . 1 . 2]" 1
454 1 50 VAL HA 1 116 LEU H . . 4.590 2.958 2.811 3.095 . 0 0 "[ . 1 . 2]" 1
455 1 50 VAL HB 1 51 PHE H . . 3.840 3.864 3.716 3.898 0.058 16 0 "[ . 1 . 2]" 1
456 1 50 VAL HB 1 52 GLN HE21 . . 5.520 4.022 3.243 4.953 . 0 0 "[ . 1 . 2]" 1
457 1 50 VAL HB 1 113 TYR QE . . 4.210 4.237 3.947 4.286 0.076 4 0 "[ . 1 . 2]" 1
458 1 50 VAL HB 1 116 LEU H . . 5.800 5.681 5.575 5.800 . 0 0 "[ . 1 . 2]" 1
459 1 50 VAL MG1 1 51 PHE H . . 3.500 2.301 2.174 2.394 . 0 0 "[ . 1 . 2]" 1
460 1 50 VAL MG1 1 52 GLN H . . 4.770 4.286 4.012 4.558 . 0 0 "[ . 1 . 2]" 1
461 1 50 VAL MG1 1 52 GLN HE21 . . 4.220 2.648 2.126 2.947 . 0 0 "[ . 1 . 2]" 1
462 1 50 VAL MG1 1 52 GLN HE22 . . 4.010 2.640 2.112 3.739 . 0 0 "[ . 1 . 2]" 1
463 1 50 VAL MG1 1 113 TYR QD . . 4.000 2.610 2.298 2.985 . 0 0 "[ . 1 . 2]" 1
464 1 50 VAL MG1 1 113 TYR QE . . 3.010 2.128 1.898 2.788 . 0 0 "[ . 1 . 2]" 1
465 1 50 VAL MG1 1 114 CYS H . . 4.060 3.306 2.879 3.868 . 0 0 "[ . 1 . 2]" 1
466 1 50 VAL MG1 1 115 ARG H . . 5.500 4.224 3.527 4.618 . 0 0 "[ . 1 . 2]" 1
467 1 50 VAL MG1 1 115 ARG HA . . 3.970 3.100 2.298 3.568 . 0 0 "[ . 1 . 2]" 1
468 1 50 VAL MG1 1 115 ARG HD3 . . 4.190 3.495 2.192 4.217 0.027 7 0 "[ . 1 . 2]" 1
469 1 50 VAL MG2 1 113 TYR QE . . 3.000 3.009 2.875 3.034 0.034 17 0 "[ . 1 . 2]" 1
470 1 50 VAL MG2 1 116 LEU H . . 3.470 3.488 3.475 3.509 0.039 8 0 "[ . 1 . 2]" 1
471 1 51 PHE H 1 51 PHE QD . . 3.930 2.941 2.745 3.097 . 0 0 "[ . 1 . 2]" 1
472 1 51 PHE H 1 52 GLN H . . 4.450 4.430 4.356 4.462 0.012 1 0 "[ . 1 . 2]" 1
473 1 51 PHE H 1 52 GLN HE21 . . 5.780 4.683 3.992 5.598 . 0 0 "[ . 1 . 2]" 1
474 1 51 PHE H 1 114 CYS H . . 4.190 3.137 2.987 3.299 . 0 0 "[ . 1 . 2]" 1
475 1 51 PHE H 1 114 CYS HB3 . . 5.170 4.172 3.570 5.182 0.012 11 0 "[ . 1 . 2]" 1
476 1 51 PHE H 1 114 CYS O . . 2.000 2.007 1.931 2.052 0.052 19 0 "[ . 1 . 2]" 1
477 1 51 PHE H 1 116 LEU H . . 5.080 4.476 4.179 4.682 . 0 0 "[ . 1 . 2]" 1
478 1 51 PHE H 1 116 LEU QD . . 4.780 4.339 4.074 4.476 . 0 0 "[ . 1 . 2]" 1
479 1 51 PHE HA 1 52 GLN H . . 3.340 2.233 2.152 2.337 . 0 0 "[ . 1 . 2]" 1
480 1 51 PHE HA 1 52 GLN HE21 . . 5.220 4.018 3.277 5.243 0.023 14 0 "[ . 1 . 2]" 1
481 1 51 PHE HA 1 52 GLN HE22 . . 5.270 4.370 3.308 5.285 0.015 7 0 "[ . 1 . 2]" 1
482 1 51 PHE QB 1 52 GLN H . . 4.190 2.792 2.469 3.014 . 0 0 "[ . 1 . 2]" 1
483 1 51 PHE QD 1 52 GLN H . . 4.060 3.936 3.763 4.086 0.026 11 0 "[ . 1 . 2]" 1
484 1 51 PHE QD 1 56 TYR H . . 5.800 5.319 4.918 5.801 0.001 4 0 "[ . 1 . 2]" 1
485 1 51 PHE QD 1 57 ILE MD . . 5.510 4.739 4.323 5.577 0.067 14 0 "[ . 1 . 2]" 1
486 1 51 PHE QD 1 57 ILE MG . . 5.100 2.811 2.432 3.041 . 0 0 "[ . 1 . 2]" 1
487 1 51 PHE QD 1 114 CYS H . . 5.800 5.237 4.978 5.481 . 0 0 "[ . 1 . 2]" 1
488 1 51 PHE QD 1 116 LEU H . . 4.400 4.348 3.862 4.438 0.038 11 0 "[ . 1 . 2]" 1
489 1 51 PHE QD 1 116 LEU QD . . 3.970 2.515 2.392 2.644 . 0 0 "[ . 1 . 2]" 1
490 1 51 PHE QE 1 57 ILE MD . . 5.130 4.632 4.294 5.072 . 0 0 "[ . 1 . 2]" 1
491 1 51 PHE QE 1 57 ILE MG . . 4.390 3.575 3.052 4.210 . 0 0 "[ . 1 . 2]" 1
492 1 51 PHE HZ 1 57 ILE MD . . 5.370 5.329 4.953 5.401 0.031 18 0 "[ . 1 . 2]" 1
493 1 51 PHE HZ 1 57 ILE MG . . 5.790 4.393 3.595 5.277 . 0 0 "[ . 1 . 2]" 1
494 1 51 PHE N 1 114 CYS O . . 3.000 3.000 2.927 3.025 0.025 19 0 "[ . 1 . 2]" 1
495 1 51 PHE O 1 114 CYS H . . 2.000 1.922 1.824 2.024 0.024 1 0 "[ . 1 . 2]" 1
496 1 51 PHE O 1 114 CYS N . . 3.000 2.876 2.808 2.963 . 0 0 "[ . 1 . 2]" 1
497 1 52 GLN H 1 52 GLN HB2 . . 3.960 2.403 2.184 2.619 . 0 0 "[ . 1 . 2]" 1
498 1 52 GLN H 1 52 GLN HB3 . . 3.940 3.600 3.471 3.729 . 0 0 "[ . 1 . 2]" 1
499 1 52 GLN H 1 52 GLN HE21 . . 5.050 3.774 3.020 5.070 0.020 14 0 "[ . 1 . 2]" 1
500 1 52 GLN H 1 52 GLN HE22 . . 5.460 4.370 3.613 5.454 . 0 0 "[ . 1 . 2]" 1
501 1 52 GLN H 1 52 GLN QG . . 3.660 3.102 2.299 3.689 0.029 4 0 "[ . 1 . 2]" 1
502 1 52 GLN H 1 53 PRO QD . . 4.780 4.498 4.442 4.527 . 0 0 "[ . 1 . 2]" 1
503 1 52 GLN H 1 57 ILE MG . . 5.570 5.226 4.772 5.571 0.001 19 0 "[ . 1 . 2]" 1
504 1 52 GLN HA 1 52 GLN HE21 . . 4.630 3.426 2.249 4.581 . 0 0 "[ . 1 . 2]" 1
505 1 52 GLN HA 1 52 GLN HE22 . . 5.540 4.104 3.245 5.579 0.039 7 0 "[ . 1 . 2]" 1
506 1 52 GLN HA 1 52 GLN QG . . 3.930 2.774 2.147 3.254 . 0 0 "[ . 1 . 2]" 1
507 1 52 GLN HA 1 113 TYR HB3 . . 4.540 4.596 4.550 4.649 0.109 18 0 "[ . 1 . 2]" 1
508 1 52 GLN HA 1 113 TYR QD . . 4.990 3.490 2.674 4.159 . 0 0 "[ . 1 . 2]" 1
509 1 52 GLN HB2 1 52 GLN HE21 . . 4.700 4.128 2.799 4.486 . 0 0 "[ . 1 . 2]" 1
510 1 52 GLN HB2 1 52 GLN HE22 . . 4.950 4.702 3.771 5.171 0.221 12 0 "[ . 1 . 2]" 1
511 1 52 GLN HB2 1 53 PRO QD . . 3.890 3.472 3.238 3.664 . 0 0 "[ . 1 . 2]" 1
512 1 52 GLN HB3 1 52 GLN HE21 . . 4.570 4.281 3.542 4.581 0.011 3 0 "[ . 1 . 2]" 1
513 1 52 GLN HB3 1 52 GLN HE22 . . 5.030 4.857 4.115 5.221 0.191 14 0 "[ . 1 . 2]" 1
514 1 52 GLN HB3 1 113 TYR HA . . 4.930 4.672 4.367 4.866 . 0 0 "[ . 1 . 2]" 1
515 1 52 GLN HB3 1 113 TYR QD . . 5.240 4.801 3.861 5.277 0.037 5 0 "[ . 1 . 2]" 1
516 1 52 GLN HE22 1 52 GLN QG . . 3.580 3.284 3.154 3.420 . 0 0 "[ . 1 . 2]" 1
517 1 52 GLN HE22 1 113 TYR QD . . 4.260 3.475 2.153 4.314 0.054 9 0 "[ . 1 . 2]" 1
518 1 52 GLN QG 1 53 PRO QD . . 5.180 3.317 2.497 3.955 . 0 0 "[ . 1 . 2]" 1
519 1 52 GLN QG 1 113 TYR QD . . 4.510 3.573 2.194 5.052 0.542 5 1 "[ + 1 . 2]" 1
520 1 53 PRO HA 1 54 GLY H . . 3.490 2.187 2.129 2.244 . 0 0 "[ . 1 . 2]" 1
521 1 53 PRO HA 1 55 ASP H . . 4.330 3.668 3.534 3.811 . 0 0 "[ . 1 . 2]" 1
522 1 53 PRO HA 1 110 ALA MB . . 4.050 2.942 2.692 3.326 . 0 0 "[ . 1 . 2]" 1
523 1 53 PRO HA 1 111 ASP HA . . 5.210 4.541 4.131 4.797 . 0 0 "[ . 1 . 2]" 1
524 1 53 PRO HA 1 112 THR H . . 4.780 3.303 3.057 3.565 . 0 0 "[ . 1 . 2]" 1
525 1 53 PRO HA 1 112 THR HA . . 4.950 3.197 2.850 3.572 . 0 0 "[ . 1 . 2]" 1
526 1 53 PRO QB 1 54 GLY H . . 4.240 3.395 3.204 3.590 . 0 0 "[ . 1 . 2]" 1
527 1 53 PRO QB 1 112 THR H . . 4.150 4.122 4.008 4.184 0.034 4 0 "[ . 1 . 2]" 1
528 1 53 PRO QB 1 112 THR HA . . 4.060 2.473 2.164 2.939 . 0 0 "[ . 1 . 2]" 1
529 1 53 PRO QB 1 113 TYR H . . 4.900 4.331 4.057 4.729 . 0 0 "[ . 1 . 2]" 1
530 1 53 PRO QD 1 54 GLY H . . 5.130 4.946 4.855 5.023 . 0 0 "[ . 1 . 2]" 1
531 1 53 PRO QD 1 113 TYR H . . 4.880 3.388 3.115 3.738 . 0 0 "[ . 1 . 2]" 1
532 1 53 PRO QD 1 113 TYR HA . . 4.740 2.812 2.485 3.175 . 0 0 "[ . 1 . 2]" 1
533 1 53 PRO QD 1 113 TYR QD . . 4.860 3.783 2.719 4.516 . 0 0 "[ . 1 . 2]" 1
534 1 53 PRO HG2 1 112 THR HA . . 4.290 3.723 3.605 3.869 . 0 0 "[ . 1 . 2]" 1
535 1 53 PRO HG2 1 113 TYR H . . 4.440 4.170 3.890 4.420 . 0 0 "[ . 1 . 2]" 1
536 1 54 GLY H 1 55 ASP H . . 3.730 2.490 2.347 2.569 . 0 0 "[ . 1 . 2]" 1
537 1 54 GLY H 1 55 ASP HA . . 4.930 5.009 4.971 5.031 0.101 10 0 "[ . 1 . 2]" 1
538 1 54 GLY H 1 110 ALA H . . 5.130 3.938 3.673 4.221 . 0 0 "[ . 1 . 2]" 1
539 1 54 GLY H 1 110 ALA MB . . 4.120 2.795 2.284 3.272 . 0 0 "[ . 1 . 2]" 1
540 1 55 ASP H 1 55 ASP QB . . 3.730 2.255 2.139 2.461 . 0 0 "[ . 1 . 2]" 1
541 1 55 ASP H 1 56 TYR H . . 4.480 4.535 4.496 4.558 0.078 11 0 "[ . 1 . 2]" 1
542 1 55 ASP H 1 110 ALA MB . . 4.120 2.665 2.261 3.143 . 0 0 "[ . 1 . 2]" 1
543 1 55 ASP HA 1 56 TYR H . . 3.090 2.165 2.100 2.255 . 0 0 "[ . 1 . 2]" 1
544 1 55 ASP QB 1 56 TYR H . . 4.140 3.654 2.935 3.828 . 0 0 "[ . 1 . 2]" 1
545 1 56 TYR H 1 56 TYR HB2 . . 3.650 2.390 2.274 2.737 . 0 0 "[ . 1 . 2]" 1
546 1 56 TYR H 1 56 TYR HB3 . . 3.750 3.608 3.555 3.685 . 0 0 "[ . 1 . 2]" 1
547 1 56 TYR H 1 56 TYR QD . . 3.640 2.567 2.285 2.833 . 0 0 "[ . 1 . 2]" 1
548 1 56 TYR H 1 56 TYR QE . . 4.800 4.633 4.309 4.830 0.030 16 0 "[ . 1 . 2]" 1
549 1 56 TYR H 1 57 ILE H . . 4.960 4.537 4.384 4.640 . 0 0 "[ . 1 . 2]" 1
550 1 56 TYR H 1 109 ARG HB3 . . 5.200 4.366 3.780 4.786 . 0 0 "[ . 1 . 2]" 1
551 1 56 TYR HA 1 56 TYR QD . . 4.290 2.867 2.539 3.124 . 0 0 "[ . 1 . 2]" 1
552 1 56 TYR HA 1 57 ILE HA . . 5.040 4.373 4.279 4.423 . 0 0 "[ . 1 . 2]" 1
553 1 56 TYR HA 1 58 ILE H . . 4.590 3.973 3.651 4.329 . 0 0 "[ . 1 . 2]" 1
554 1 56 TYR HA 1 110 ALA H . . 4.710 3.649 3.397 3.876 . 0 0 "[ . 1 . 2]" 1
555 1 56 TYR HB2 1 57 ILE H . . 5.720 4.404 4.165 4.535 . 0 0 "[ . 1 . 2]" 1
556 1 56 TYR HB3 1 57 ILE H . . 5.230 3.475 3.150 3.753 . 0 0 "[ . 1 . 2]" 1
557 1 56 TYR HB3 1 109 ARG HA . . 5.380 4.509 4.232 4.766 . 0 0 "[ . 1 . 2]" 1
558 1 56 TYR QD 1 57 ILE H . . 5.130 4.040 3.627 4.588 . 0 0 "[ . 1 . 2]" 1
559 1 56 TYR QD 1 58 ILE H . . 5.550 4.450 3.638 5.568 0.018 18 0 "[ . 1 . 2]" 1
560 1 56 TYR QE 1 109 ARG QD . . 4.490 3.120 2.402 4.282 . 0 0 "[ . 1 . 2]" 1
561 1 57 ILE H 1 57 ILE MD . . 3.780 3.682 2.843 3.818 0.038 15 0 "[ . 1 . 2]" 1
562 1 57 ILE H 1 57 ILE HG12 . . 4.430 2.490 2.061 3.696 . 0 0 "[ . 1 . 2]" 1
563 1 57 ILE H 1 57 ILE HG13 . . 4.840 2.671 2.038 3.529 . 0 0 "[ . 1 . 2]" 1
564 1 57 ILE H 1 57 ILE MG . . 3.680 2.433 2.164 2.631 . 0 0 "[ . 1 . 2]" 1
565 1 57 ILE H 1 58 ILE H . . 4.090 2.516 2.204 2.692 . 0 0 "[ . 1 . 2]" 1
566 1 57 ILE H 1 108 VAL MG1 . . 5.210 3.875 3.513 4.941 . 0 0 "[ . 1 . 2]" 1
567 1 57 ILE H 1 108 VAL MG2 . . 4.900 4.135 3.739 4.518 . 0 0 "[ . 1 . 2]" 1
568 1 57 ILE H 1 109 ARG HA . . 4.550 2.354 2.048 2.686 . 0 0 "[ . 1 . 2]" 1
569 1 57 ILE H 1 110 ALA H . . 4.540 3.898 3.415 4.419 . 0 0 "[ . 1 . 2]" 1
570 1 57 ILE HA 1 57 ILE MD . . 4.070 4.007 3.651 4.124 0.054 13 0 "[ . 1 . 2]" 1
571 1 57 ILE HA 1 57 ILE MG . . 3.680 2.340 2.175 2.412 . 0 0 "[ . 1 . 2]" 1
572 1 57 ILE HA 1 110 ALA H . . 5.530 5.311 5.039 5.550 0.020 7 0 "[ . 1 . 2]" 1
573 1 57 ILE HB 1 57 ILE MD . . 3.060 2.240 2.131 2.429 . 0 0 "[ . 1 . 2]" 1
574 1 57 ILE HB 1 58 ILE H . . 4.300 3.975 3.615 4.240 . 0 0 "[ . 1 . 2]" 1
575 1 57 ILE HB 1 58 ILE MD . . 4.380 4.157 2.622 4.430 0.050 12 0 "[ . 1 . 2]" 1
576 1 57 ILE HB 1 58 ILE HG12 . . 5.210 4.658 4.314 5.287 0.077 6 0 "[ . 1 . 2]" 1
577 1 57 ILE MD 1 57 ILE MG . . 3.330 2.337 2.013 3.157 . 0 0 "[ . 1 . 2]" 1
578 1 57 ILE MD 1 58 ILE H . . 4.470 3.737 2.321 4.272 . 0 0 "[ . 1 . 2]" 1
579 1 57 ILE MD 1 58 ILE HA . . 4.750 4.429 2.598 4.798 0.048 1 0 "[ . 1 . 2]" 1
580 1 57 ILE MD 1 58 ILE MD . . 3.370 2.331 1.873 3.007 . 0 0 "[ . 1 . 2]" 1
581 1 57 ILE MD 1 58 ILE HG12 . . 3.820 3.497 2.206 3.846 0.026 7 0 "[ . 1 . 2]" 1
582 1 57 ILE MD 1 93 PHE QD . . 5.800 3.374 3.022 3.754 . 0 0 "[ . 1 . 2]" 1
583 1 57 ILE MD 1 93 PHE QE . . 3.440 2.422 2.139 2.757 . 0 0 "[ . 1 . 2]" 1
584 1 57 ILE MD 1 93 PHE HZ . . 3.480 2.424 2.120 2.939 . 0 0 "[ . 1 . 2]" 1
585 1 57 ILE MD 1 108 VAL MG2 . . 3.310 2.533 2.252 3.068 . 0 0 "[ . 1 . 2]" 1
586 1 57 ILE HG12 1 57 ILE MG . . 3.290 2.234 2.117 2.546 . 0 0 "[ . 1 . 2]" 1
587 1 57 ILE HG12 1 58 ILE H . . 5.380 3.580 2.628 4.861 . 0 0 "[ . 1 . 2]" 1
588 1 57 ILE HG12 1 109 ARG HA . . 4.340 3.210 2.520 4.368 0.028 14 0 "[ . 1 . 2]" 1
589 1 57 ILE HG13 1 57 ILE MG . . 3.290 3.036 2.224 3.230 . 0 0 "[ . 1 . 2]" 1
590 1 57 ILE HG13 1 116 LEU QD . . 4.240 4.155 3.835 4.239 . 0 0 "[ . 1 . 2]" 1
591 1 57 ILE MG 1 58 ILE H . . 4.790 4.128 3.948 4.293 . 0 0 "[ . 1 . 2]" 1
592 1 57 ILE MG 1 58 ILE MD . . 4.830 4.772 3.854 4.931 0.101 9 0 "[ . 1 . 2]" 1
593 1 57 ILE MG 1 75 VAL MG1 . . 3.090 3.000 2.675 3.109 0.019 6 0 "[ . 1 . 2]" 1
594 1 57 ILE MG 1 93 PHE QE . . 4.460 4.440 3.934 4.512 0.052 19 0 "[ . 1 . 2]" 1
595 1 57 ILE MG 1 93 PHE HZ . . 4.370 4.168 3.861 4.394 0.024 11 0 "[ . 1 . 2]" 1
596 1 57 ILE MG 1 110 ALA H . . 4.440 2.640 2.434 3.105 . 0 0 "[ . 1 . 2]" 1
597 1 57 ILE MG 1 110 ALA HA . . 3.920 3.429 2.973 3.925 0.005 6 0 "[ . 1 . 2]" 1
598 1 57 ILE MG 1 110 ALA MB . . 2.970 2.405 2.134 2.750 . 0 0 "[ . 1 . 2]" 1
599 1 57 ILE MG 1 116 LEU QD . . 2.970 2.417 2.031 2.923 . 0 0 "[ . 1 . 2]" 1
600 1 58 ILE H 1 58 ILE MD . . 4.950 3.953 2.950 4.282 . 0 0 "[ . 1 . 2]" 1
601 1 58 ILE H 1 58 ILE HG12 . . 4.100 3.858 2.550 4.216 0.116 14 0 "[ . 1 . 2]" 1
602 1 58 ILE H 1 59 ARG H . . 5.530 4.427 4.067 4.604 . 0 0 "[ . 1 . 2]" 1
603 1 58 ILE H 1 108 VAL H . . 4.900 4.033 3.521 4.709 . 0 0 "[ . 1 . 2]" 1
604 1 58 ILE H 1 108 VAL MG1 . . 4.270 3.433 3.074 4.283 0.013 16 0 "[ . 1 . 2]" 1
605 1 58 ILE H 1 108 VAL MG2 . . 4.930 4.893 4.689 4.976 0.046 9 0 "[ . 1 . 2]" 1
606 1 58 ILE H 1 109 ARG HA . . 5.200 4.640 4.019 5.089 . 0 0 "[ . 1 . 2]" 1
607 1 58 ILE HA 1 58 ILE MD . . 3.820 3.396 2.120 3.860 0.040 15 0 "[ . 1 . 2]" 1
608 1 58 ILE HA 1 58 ILE MG . . 3.340 2.636 2.458 2.852 . 0 0 "[ . 1 . 2]" 1
609 1 58 ILE HB 1 58 ILE MD . . 3.200 2.615 2.288 3.261 0.061 12 0 "[ . 1 . 2]" 1
610 1 58 ILE HB 1 108 VAL H . . 5.500 3.626 2.759 3.972 . 0 0 "[ . 1 . 2]" 1
611 1 58 ILE HB 1 108 VAL MG2 . . 4.980 4.743 4.477 5.061 0.081 13 0 "[ . 1 . 2]" 1
612 1 58 ILE MD 1 93 PHE HB2 . . 4.460 3.091 2.600 3.811 . 0 0 "[ . 1 . 2]" 1
613 1 58 ILE MD 1 93 PHE QD . . 3.300 2.578 2.206 3.028 . 0 0 "[ . 1 . 2]" 1
614 1 58 ILE MD 1 93 PHE QE . . 3.420 3.123 2.374 3.469 0.049 15 0 "[ . 1 . 2]" 1
615 1 58 ILE MD 1 93 PHE HZ . . 4.460 4.285 3.587 4.480 0.020 16 0 "[ . 1 . 2]" 1
616 1 58 ILE MD 1 94 GLY H . . 5.320 3.480 2.594 4.210 . 0 0 "[ . 1 . 2]" 1
617 1 58 ILE MD 1 94 GLY QA . . 3.510 3.160 2.168 3.562 0.052 14 0 "[ . 1 . 2]" 1
618 1 58 ILE MD 1 108 VAL H . . 5.120 4.927 4.211 5.141 0.021 13 0 "[ . 1 . 2]" 1
619 1 58 ILE MD 1 108 VAL HB . . 4.980 4.825 4.484 5.053 0.073 13 0 "[ . 1 . 2]" 1
620 1 58 ILE MD 1 108 VAL MG1 . . 3.020 2.355 2.006 2.668 . 0 0 "[ . 1 . 2]" 1
621 1 58 ILE HG12 1 59 ARG H . . 5.010 4.180 3.188 5.030 0.020 3 0 "[ . 1 . 2]" 1
622 1 58 ILE HG13 1 58 ILE MG . . 3.200 2.988 2.177 3.230 0.030 7 0 "[ . 1 . 2]" 1
623 1 58 ILE MG 1 59 ARG H . . 3.390 2.606 2.195 3.101 . 0 0 "[ . 1 . 2]" 1
624 1 58 ILE MG 1 59 ARG HA . . 3.170 3.128 2.662 3.250 0.080 12 0 "[ . 1 . 2]" 1
625 1 58 ILE MG 1 60 GLU H . . 5.760 3.882 2.763 4.647 . 0 0 "[ . 1 . 2]" 1
626 1 58 ILE MG 1 108 VAL H . . 4.410 4.290 3.435 4.449 0.039 12 0 "[ . 1 . 2]" 1
627 1 58 ILE MG 1 108 VAL MG1 . . 3.540 3.287 2.905 3.552 0.012 2 0 "[ . 1 . 2]" 1
628 1 59 ARG H 1 59 ARG HB3 . . 4.070 3.261 2.705 3.923 . 0 0 "[ . 1 . 2]" 1
629 1 59 ARG H 1 59 ARG QD . . 5.170 4.577 2.780 5.219 0.049 1 0 "[ . 1 . 2]" 1
630 1 59 ARG H 1 59 ARG QG . . 4.810 3.950 2.607 4.520 . 0 0 "[ . 1 . 2]" 1
631 1 59 ARG HA 1 59 ARG QG . . 3.490 2.675 2.293 3.509 0.019 3 0 "[ . 1 . 2]" 1
632 1 59 ARG HB2 1 59 ARG QD . . 3.740 2.938 2.372 3.559 . 0 0 "[ . 1 . 2]" 1
633 1 59 ARG HB2 1 60 GLU H . . 4.900 4.106 2.896 4.638 . 0 0 "[ . 1 . 2]" 1
634 1 59 ARG HB3 1 59 ARG QD . . 3.790 2.825 2.218 3.603 . 0 0 "[ . 1 . 2]" 1
635 1 59 ARG HB3 1 59 ARG QG . . 2.510 2.330 2.148 2.507 . 0 0 "[ . 1 . 2]" 1
636 1 59 ARG HB3 1 60 GLU H . . 4.800 3.642 2.105 4.539 . 0 0 "[ . 1 . 2]" 1
637 1 59 ARG QD 1 60 GLU H . . 4.120 3.489 2.645 4.148 0.028 2 0 "[ . 1 . 2]" 1
638 1 59 ARG QG 1 60 GLU H . . 5.440 3.507 2.136 4.605 . 0 0 "[ . 1 . 2]" 1
639 1 60 GLU H 1 60 GLU QG . . 4.570 3.885 3.222 4.091 . 0 0 "[ . 1 . 2]" 1
640 1 60 GLU HA 1 60 GLU QG . . 3.430 2.598 2.195 3.218 . 0 0 "[ . 1 . 2]" 1
641 1 60 GLU HA 1 62 THR H . . 4.760 3.872 3.453 4.360 . 0 0 "[ . 1 . 2]" 1
642 1 60 GLU HA 1 62 THR MG . . 5.310 4.896 3.167 5.372 0.062 7 0 "[ . 1 . 2]" 1
643 1 60 GLU HA 1 65 LYS QD . . 3.930 3.631 2.610 4.056 0.126 9 0 "[ . 1 . 2]" 1
644 1 60 GLU QB 1 61 GLY H . . 4.840 3.198 2.075 3.706 . 0 0 "[ . 1 . 2]" 1
645 1 60 GLU QG 1 61 GLY H . . 3.660 2.707 1.682 3.536 . 0 0 "[ . 1 . 2]" 1
646 1 60 GLU QG 1 61 GLY QA . . 4.470 3.990 3.092 5.083 0.613 1 2 "[+ . 1 - 2]" 1
647 1 60 GLU QG 1 62 THR H . . 4.370 3.582 1.903 4.415 0.045 5 0 "[ . 1 . 2]" 1
648 1 60 GLU QG 1 104 ARG H . . 5.510 3.421 2.068 5.537 0.027 12 0 "[ . 1 . 2]" 1
649 1 61 GLY H 1 62 THR H . . 4.330 1.946 1.616 2.779 . 0 0 "[ . 1 . 2]" 1
650 1 61 GLY H 1 62 THR HA . . 5.170 4.506 3.706 5.057 . 0 0 "[ . 1 . 2]" 1
651 1 61 GLY H 1 62 THR MG . . 5.310 3.797 2.920 4.536 . 0 0 "[ . 1 . 2]" 1
652 1 61 GLY H 1 65 LYS QD . . 4.440 3.973 2.931 4.449 0.009 20 0 "[ . 1 . 2]" 1
653 1 61 GLY H 1 103 ARG HA . . 5.200 4.983 3.972 5.286 0.086 12 0 "[ . 1 . 2]" 1
654 1 61 GLY H 1 103 ARG QD . . 5.360 4.293 3.001 5.422 0.062 16 0 "[ . 1 . 2]" 1
655 1 61 GLY H 1 104 ARG H . . 5.420 4.671 3.731 5.363 . 0 0 "[ . 1 . 2]" 1
656 1 61 GLY QA 1 62 THR MG . . 4.880 3.978 2.777 4.667 . 0 0 "[ . 1 . 2]" 1
657 1 62 THR H 1 62 THR MG . . 3.460 2.583 2.204 3.020 . 0 0 "[ . 1 . 2]" 1
658 1 62 THR H 1 63 ILE H . . 5.300 4.339 2.525 4.649 . 0 0 "[ . 1 . 2]" 1
659 1 62 THR H 1 65 LYS HB2 . . 5.490 4.618 3.182 5.532 0.042 19 0 "[ . 1 . 2]" 1
660 1 62 THR H 1 65 LYS QD . . 4.820 3.776 2.292 4.824 0.004 14 0 "[ . 1 . 2]" 1
661 1 62 THR H 1 104 ARG H . . 5.210 4.850 3.195 5.259 0.049 14 0 "[ . 1 . 2]" 1
662 1 62 THR HA 1 62 THR MG . . 3.240 3.112 2.272 3.262 0.022 6 0 "[ . 1 . 2]" 1
663 1 62 THR HA 1 63 ILE H . . 3.450 2.387 2.117 3.514 0.064 16 0 "[ . 1 . 2]" 1
664 1 62 THR HA 1 63 ILE HA . . 4.640 4.326 3.965 4.524 . 0 0 "[ . 1 . 2]" 1
665 1 62 THR HB 1 63 ILE H . . 3.680 3.561 2.015 3.757 0.077 19 0 "[ . 1 . 2]" 1
666 1 62 THR MG 1 63 ILE H . . 3.630 3.375 2.905 3.671 0.041 7 0 "[ . 1 . 2]" 1
667 1 63 ILE H 1 63 ILE HB . . 3.610 2.381 2.105 2.644 . 0 0 "[ . 1 . 2]" 1
668 1 63 ILE H 1 63 ILE MD . . 3.300 2.436 1.988 3.325 0.025 8 0 "[ . 1 . 2]" 1
669 1 63 ILE H 1 63 ILE HG12 . . 4.100 4.008 2.386 4.173 0.073 4 0 "[ . 1 . 2]" 1
670 1 63 ILE H 1 63 ILE MG . . 4.010 3.760 3.585 3.895 . 0 0 "[ . 1 . 2]" 1
671 1 63 ILE HA 1 63 ILE MD . . 3.670 3.017 2.077 3.736 0.066 8 0 "[ . 1 . 2]" 1
672 1 63 ILE HA 1 63 ILE HG13 . . 3.680 2.481 2.177 3.636 . 0 0 "[ . 1 . 2]" 1
673 1 63 ILE HA 1 103 ARG QD . . 4.720 4.501 3.237 4.776 0.056 5 0 "[ . 1 . 2]" 1
674 1 63 ILE HA 1 104 ARG H . . 5.800 5.467 4.678 5.930 0.130 16 0 "[ . 1 . 2]" 1
675 1 63 ILE HB 1 63 ILE MD . . 2.970 2.443 2.246 3.139 0.169 16 0 "[ . 1 . 2]" 1
676 1 63 ILE HB 1 64 GLY H . . 5.380 4.292 4.033 4.527 . 0 0 "[ . 1 . 2]" 1
677 1 63 ILE HB 1 102 GLY QA . . 5.290 4.935 4.397 5.322 0.032 16 0 "[ . 1 . 2]" 1
678 1 63 ILE MD 1 103 ARG H . . 3.480 3.203 2.488 3.550 0.070 16 0 "[ . 1 . 2]" 1
679 1 63 ILE HG12 1 64 GLY H . . 5.590 5.050 3.736 5.522 . 0 0 "[ . 1 . 2]" 1
680 1 63 ILE HG12 1 102 GLY QA . . 3.630 3.147 2.369 3.641 0.011 7 0 "[ . 1 . 2]" 1
681 1 63 ILE HG12 1 103 ARG H . . 4.630 4.264 3.449 4.686 0.056 2 0 "[ . 1 . 2]" 1
682 1 63 ILE HG13 1 64 GLY H . . 5.390 4.264 3.605 5.477 0.087 16 0 "[ . 1 . 2]" 1
683 1 63 ILE HG13 1 102 GLY H . . 4.240 3.739 2.221 4.294 0.054 19 0 "[ . 1 . 2]" 1
684 1 63 ILE HG13 1 102 GLY QA . . 3.480 2.619 2.081 3.503 0.023 8 0 "[ . 1 . 2]" 1
685 1 63 ILE HG13 1 103 ARG H . . 5.250 3.254 2.514 4.381 . 0 0 "[ . 1 . 2]" 1
686 1 63 ILE MG 1 64 GLY H . . 3.540 2.679 2.121 3.126 . 0 0 "[ . 1 . 2]" 1
687 1 63 ILE MG 1 64 GLY HA3 . . 3.330 3.313 3.088 3.389 0.059 9 0 "[ . 1 . 2]" 1
688 1 63 ILE MG 1 102 GLY H . . 5.550 3.249 2.291 5.035 . 0 0 "[ . 1 . 2]" 1
689 1 64 GLY H 1 65 LYS HA . . 4.970 4.939 4.680 5.091 0.121 16 0 "[ . 1 . 2]" 1
690 1 65 LYS HA 1 65 LYS QD . . 3.910 3.675 2.121 4.006 0.096 4 0 "[ . 1 . 2]" 1
691 1 65 LYS HA 1 65 LYS QG . . 3.760 2.466 2.132 3.408 . 0 0 "[ . 1 . 2]" 1
692 1 65 LYS HB2 1 66 LYS H . . 4.810 3.840 2.379 4.412 . 0 0 "[ . 1 . 2]" 1
693 1 65 LYS HB3 1 65 LYS QE . . 5.090 3.892 2.140 4.560 . 0 0 "[ . 1 . 2]" 1
694 1 66 LYS H 1 67 MET H . . 5.490 4.596 4.511 4.679 . 0 0 "[ . 1 . 2]" 1
695 1 66 LYS H 1 121 VAL MG1 . . 5.180 5.084 4.262 5.235 0.055 1 0 "[ . 1 . 2]" 1
696 1 66 LYS HA 1 66 LYS HD3 . . 5.150 3.970 2.286 4.866 . 0 0 "[ . 1 . 2]" 1
697 1 66 LYS HA 1 120 SER HA . . 4.630 3.251 2.546 4.632 0.002 12 0 "[ . 1 . 2]" 1
698 1 66 LYS HA 1 121 VAL H . . 4.430 3.091 2.234 4.305 . 0 0 "[ . 1 . 2]" 1
699 1 66 LYS QB 1 67 MET H . . 4.260 2.294 2.005 2.872 . 0 0 "[ . 1 . 2]" 1
700 1 66 LYS QB 1 67 MET HA . . 4.710 4.395 3.982 4.738 0.028 11 0 "[ . 1 . 2]" 1
701 1 66 LYS QB 1 120 SER H . . 4.990 4.259 3.411 4.953 . 0 0 "[ . 1 . 2]" 1
702 1 66 LYS QB 1 120 SER HA . . 4.710 2.559 2.001 3.461 . 0 0 "[ . 1 . 2]" 1
703 1 66 LYS QB 1 120 SER HB2 . . 5.120 4.212 2.883 5.137 0.017 10 0 "[ . 1 . 2]" 1
704 1 66 LYS QB 1 120 SER HB3 . . 4.880 4.366 3.616 4.915 0.035 3 0 "[ . 1 . 2]" 1
705 1 66 LYS QB 1 121 VAL H . . 4.870 3.676 2.484 4.912 0.042 13 0 "[ . 1 . 2]" 1
706 1 66 LYS HD2 1 67 MET H . . 4.180 4.164 3.318 4.265 0.085 8 0 "[ . 1 . 2]" 1
707 1 66 LYS QG 1 67 MET H . . 4.570 3.808 2.798 4.617 0.047 13 0 "[ . 1 . 2]" 1
708 1 66 LYS QG 1 120 SER HA . . 4.290 3.379 2.077 4.297 0.007 7 0 "[ . 1 . 2]" 1
709 1 67 MET H 1 67 MET QG . . 4.170 3.681 2.482 4.197 0.027 9 0 "[ . 1 . 2]" 1
710 1 67 MET H 1 98 LEU MD2 . . 5.800 5.727 5.154 5.860 0.060 5 0 "[ . 1 . 2]" 1
711 1 67 MET H 1 118 SER HA . . 5.350 5.036 4.677 5.391 0.041 6 0 "[ . 1 . 2]" 1
712 1 67 MET H 1 119 LEU H . . 4.630 3.459 2.944 4.489 . 0 0 "[ . 1 . 2]" 1
713 1 67 MET H 1 120 SER HA . . 4.450 3.598 3.266 4.168 . 0 0 "[ . 1 . 2]" 1
714 1 67 MET H 1 121 VAL H . . 5.100 4.118 3.070 4.917 . 0 0 "[ . 1 . 2]" 1
715 1 67 MET H 1 121 VAL MG1 . . 5.200 4.248 3.247 5.215 0.015 1 0 "[ . 1 . 2]" 1
716 1 67 MET HA 1 67 MET QG . . 3.370 2.753 2.320 3.368 . 0 0 "[ . 1 . 2]" 1
717 1 67 MET HB3 1 68 TYR H . . 4.660 3.961 3.178 4.234 . 0 0 "[ . 1 . 2]" 1
718 1 67 MET ME 1 68 TYR H . . 3.560 3.349 2.825 3.596 0.036 2 0 "[ . 1 . 2]" 1
719 1 67 MET ME 1 69 PHE HB2 . . 3.470 3.516 3.481 3.559 0.089 4 0 "[ . 1 . 2]" 1
720 1 67 MET ME 1 69 PHE HB3 . . 4.680 2.250 2.108 2.413 . 0 0 "[ . 1 . 2]" 1
721 1 67 MET ME 1 69 PHE QD . . 3.620 2.580 2.094 3.157 . 0 0 "[ . 1 . 2]" 1
722 1 67 MET ME 1 92 TYR QD . . 3.100 2.296 2.000 2.839 . 0 0 "[ . 1 . 2]" 1
723 1 67 MET ME 1 92 TYR QE . . 3.750 3.683 2.946 3.806 0.056 4 0 "[ . 1 . 2]" 1
724 1 67 MET ME 1 93 PHE H . . 4.240 3.353 2.422 4.198 . 0 0 "[ . 1 . 2]" 1
725 1 68 TYR H 1 69 PHE H . . 4.650 4.426 4.216 4.518 . 0 0 "[ . 1 . 2]" 1
726 1 68 TYR H 1 93 PHE H . . 4.920 3.770 3.425 4.214 . 0 0 "[ . 1 . 2]" 1
727 1 68 TYR H 1 118 SER HA . . 5.400 5.058 4.719 5.364 . 0 0 "[ . 1 . 2]" 1
728 1 68 TYR HA 1 117 TYR H . . 5.020 4.407 3.898 4.662 . 0 0 "[ . 1 . 2]" 1
729 1 68 TYR HA 1 118 SER H . . 5.180 5.015 4.737 5.234 0.054 18 0 "[ . 1 . 2]" 1
730 1 68 TYR HB2 1 116 LEU QD . . 4.280 4.029 3.382 4.203 . 0 0 "[ . 1 . 2]" 1
731 1 68 TYR HB3 1 69 PHE H . . 4.800 2.990 2.813 3.392 . 0 0 "[ . 1 . 2]" 1
732 1 68 TYR HB3 1 93 PHE H . . 5.330 5.022 4.516 5.406 0.076 18 0 "[ . 1 . 2]" 1
733 1 68 TYR QD 1 69 PHE H . . 4.740 4.266 3.446 4.777 0.037 18 0 "[ . 1 . 2]" 1
734 1 68 TYR QD 1 116 LEU QD . . 3.970 3.815 2.582 4.882 0.912 16 5 "[ * * * .+ - 2]" 1
735 1 68 TYR O 1 93 PHE H . . 2.000 1.985 1.843 2.045 0.045 11 0 "[ . 1 . 2]" 1
736 1 68 TYR O 1 93 PHE N . . 3.000 2.987 2.854 3.033 0.033 9 0 "[ . 1 . 2]" 1
737 1 69 PHE H 1 69 PHE QD . . 4.320 3.002 2.196 3.913 . 0 0 "[ . 1 . 2]" 1
738 1 69 PHE H 1 70 ILE HA . . 5.400 4.776 4.581 4.887 . 0 0 "[ . 1 . 2]" 1
739 1 69 PHE H 1 93 PHE H . . 5.800 4.882 4.668 5.000 . 0 0 "[ . 1 . 2]" 1
740 1 69 PHE H 1 116 LEU QD . . 4.470 3.926 3.706 4.102 . 0 0 "[ . 1 . 2]" 1
741 1 69 PHE H 1 117 TYR H . . 4.500 2.708 2.471 2.901 . 0 0 "[ . 1 . 2]" 1
742 1 69 PHE H 1 117 TYR HA . . 5.660 4.827 4.703 5.024 . 0 0 "[ . 1 . 2]" 1
743 1 69 PHE H 1 117 TYR HB3 . . 5.800 4.263 3.566 5.604 . 0 0 "[ . 1 . 2]" 1
744 1 69 PHE H 1 117 TYR QD . . 5.600 4.363 1.932 5.640 0.040 1 0 "[ . 1 . 2]" 1
745 1 69 PHE H 1 118 SER HA . . 4.710 3.967 3.541 4.631 . 0 0 "[ . 1 . 2]" 1
746 1 69 PHE HA 1 93 PHE H . . 4.440 3.048 2.753 3.271 . 0 0 "[ . 1 . 2]" 1
747 1 69 PHE HB2 1 70 ILE H . . 4.870 2.567 2.333 2.963 . 0 0 "[ . 1 . 2]" 1
748 1 69 PHE HB3 1 92 TYR QD . . 5.400 3.875 2.293 4.561 . 0 0 "[ . 1 . 2]" 1
749 1 69 PHE HB3 1 93 PHE H . . 4.430 3.640 2.781 3.978 . 0 0 "[ . 1 . 2]" 1
750 1 69 PHE QD 1 70 ILE H . . 5.040 3.709 2.836 4.400 . 0 0 "[ . 1 . 2]" 1
751 1 69 PHE QD 1 93 PHE H . . 5.400 5.251 4.533 5.444 0.044 17 0 "[ . 1 . 2]" 1
752 1 69 PHE QD 1 117 TYR H . . 4.370 3.886 2.799 4.398 0.028 6 0 "[ . 1 . 2]" 1
753 1 69 PHE QD 1 117 TYR HB3 . . 4.430 3.604 2.418 4.486 0.056 4 0 "[ . 1 . 2]" 1
754 1 69 PHE QD 1 117 TYR QD . . 5.800 3.854 3.000 4.979 . 0 0 "[ . 1 . 2]" 1
755 1 69 PHE QE 1 117 TYR QE . . 5.800 4.129 2.837 5.552 . 0 0 "[ . 1 . 2]" 1
756 1 69 PHE O 1 117 TYR H . . 2.000 1.924 1.859 2.012 0.012 7 0 "[ . 1 . 2]" 1
757 1 69 PHE O 1 117 TYR N . . 3.000 2.878 2.768 2.954 . 0 0 "[ . 1 . 2]" 1
758 1 70 ILE H 1 70 ILE MD . . 3.700 3.717 3.693 3.734 0.034 14 0 "[ . 1 . 2]" 1
759 1 70 ILE H 1 70 ILE MG . . 4.470 3.849 3.820 3.887 . 0 0 "[ . 1 . 2]" 1
760 1 70 ILE H 1 91 SER H . . 4.860 3.886 3.171 4.335 . 0 0 "[ . 1 . 2]" 1
761 1 70 ILE H 1 91 SER HA . . 5.670 4.960 4.818 5.114 . 0 0 "[ . 1 . 2]" 1
762 1 70 ILE H 1 91 SER O . . 2.000 1.878 1.785 1.985 . 0 0 "[ . 1 . 2]" 1
763 1 70 ILE H 1 92 TYR HA . . 4.630 3.192 2.646 3.719 . 0 0 "[ . 1 . 2]" 1
764 1 70 ILE H 1 92 TYR QD . . 5.450 5.317 3.903 5.535 0.085 14 0 "[ . 1 . 2]" 1
765 1 70 ILE H 1 93 PHE H . . 5.160 4.991 4.616 5.175 0.015 19 0 "[ . 1 . 2]" 1
766 1 70 ILE H 1 93 PHE QE . . 5.670 4.884 4.433 5.343 . 0 0 "[ . 1 . 2]" 1
767 1 70 ILE H 1 116 LEU QD . . 4.960 3.942 3.797 4.105 . 0 0 "[ . 1 . 2]" 1
768 1 70 ILE HA 1 70 ILE MG . . 3.520 2.319 2.221 2.371 . 0 0 "[ . 1 . 2]" 1
769 1 70 ILE HA 1 72 HIS H . . 4.630 4.130 3.811 4.342 . 0 0 "[ . 1 . 2]" 1
770 1 70 ILE HA 1 116 LEU H . . 5.800 5.289 5.173 5.407 . 0 0 "[ . 1 . 2]" 1
771 1 70 ILE HA 1 116 LEU QD . . 3.370 2.094 2.005 2.209 . 0 0 "[ . 1 . 2]" 1
772 1 70 ILE HA 1 117 TYR H . . 4.930 3.850 3.578 4.056 . 0 0 "[ . 1 . 2]" 1
773 1 70 ILE HB 1 70 ILE MD . . 3.510 2.425 2.355 2.511 . 0 0 "[ . 1 . 2]" 1
774 1 70 ILE HB 1 89 ASP H . . 5.310 4.660 4.291 5.065 . 0 0 "[ . 1 . 2]" 1
775 1 70 ILE HB 1 89 ASP QB . . 4.880 4.124 3.561 4.601 . 0 0 "[ . 1 . 2]" 1
776 1 70 ILE HB 1 90 GLY H . . 4.620 2.838 2.656 2.941 . 0 0 "[ . 1 . 2]" 1
777 1 70 ILE HB 1 90 GLY HA2 . . 5.400 4.624 4.368 4.878 . 0 0 "[ . 1 . 2]" 1
778 1 70 ILE HB 1 90 GLY HA3 . . 5.110 5.160 5.122 5.210 0.100 20 0 "[ . 1 . 2]" 1
779 1 70 ILE HB 1 91 SER H . . 4.030 2.630 2.235 2.997 . 0 0 "[ . 1 . 2]" 1
780 1 70 ILE HB 1 91 SER HB2 . . 3.160 3.205 3.177 3.236 0.076 4 0 "[ . 1 . 2]" 1
781 1 70 ILE HB 1 116 LEU QD . . 4.250 4.017 3.941 4.198 . 0 0 "[ . 1 . 2]" 1
782 1 70 ILE MD 1 70 ILE MG . . 2.620 2.116 2.078 2.142 . 0 0 "[ . 1 . 2]" 1
783 1 70 ILE MD 1 73 GLY H . . 5.520 5.471 5.133 5.543 0.023 7 0 "[ . 1 . 2]" 1
784 1 70 ILE MD 1 74 VAL HA . . 4.360 4.009 3.390 4.366 0.006 12 0 "[ . 1 . 2]" 1
785 1 70 ILE MD 1 75 VAL H . . 4.090 3.818 3.367 4.107 0.017 7 0 "[ . 1 . 2]" 1
786 1 70 ILE MD 1 75 VAL MG2 . . 3.070 2.199 2.003 2.453 . 0 0 "[ . 1 . 2]" 1
787 1 70 ILE MD 1 89 ASP H . . 4.950 4.463 4.070 4.783 . 0 0 "[ . 1 . 2]" 1
788 1 70 ILE MD 1 90 GLY H . . 4.970 4.652 4.477 4.847 . 0 0 "[ . 1 . 2]" 1
789 1 70 ILE MD 1 91 SER H . . 3.960 3.370 3.251 3.493 . 0 0 "[ . 1 . 2]" 1
790 1 70 ILE MD 1 91 SER HB2 . . 3.430 2.059 1.984 2.146 . 0 0 "[ . 1 . 2]" 1
791 1 70 ILE MD 1 91 SER HB3 . . 3.760 3.275 3.031 3.529 . 0 0 "[ . 1 . 2]" 1
792 1 70 ILE MD 1 92 TYR H . . 4.520 4.498 4.353 4.551 0.031 18 0 "[ . 1 . 2]" 1
793 1 70 ILE MD 1 92 TYR HA . . 4.890 4.357 4.083 4.840 . 0 0 "[ . 1 . 2]" 1
794 1 70 ILE MD 1 93 PHE H . . 5.300 5.328 5.300 5.354 0.054 20 0 "[ . 1 . 2]" 1
795 1 70 ILE MD 1 93 PHE QD . . 3.540 3.596 2.831 4.178 0.638 16 2 "[ . 1- .+ 2]" 1
796 1 70 ILE MD 1 93 PHE QE . . 3.480 2.527 2.078 3.014 . 0 0 "[ . 1 . 2]" 1
797 1 70 ILE MD 1 116 LEU QD . . 3.350 3.169 3.062 3.206 . 0 0 "[ . 1 . 2]" 1
798 1 70 ILE QG 1 89 ASP HA . . 4.700 4.436 4.155 4.716 0.016 10 0 "[ . 1 . 2]" 1
799 1 70 ILE QG 1 91 SER H . . 5.430 3.894 3.446 4.189 . 0 0 "[ . 1 . 2]" 1
800 1 70 ILE MG 1 71 GLN H . . 3.760 3.023 2.782 3.272 . 0 0 "[ . 1 . 2]" 1
801 1 70 ILE MG 1 71 GLN HA . . 4.630 4.310 4.142 4.505 . 0 0 "[ . 1 . 2]" 1
802 1 70 ILE MG 1 72 HIS H . . 4.100 3.116 2.722 3.372 . 0 0 "[ . 1 . 2]" 1
803 1 70 ILE MG 1 72 HIS HA . . 3.970 3.618 3.247 3.925 . 0 0 "[ . 1 . 2]" 1
804 1 70 ILE MG 1 73 GLY H . . 4.110 3.159 2.796 3.327 . 0 0 "[ . 1 . 2]" 1
805 1 70 ILE MG 1 74 VAL HA . . 4.350 3.757 3.400 4.035 . 0 0 "[ . 1 . 2]" 1
806 1 70 ILE MG 1 75 VAL MG2 . . 3.950 3.840 3.636 3.964 0.014 3 0 "[ . 1 . 2]" 1
807 1 70 ILE MG 1 89 ASP H . . 4.060 3.417 2.997 3.795 . 0 0 "[ . 1 . 2]" 1
808 1 70 ILE MG 1 89 ASP HA . . 3.370 2.259 2.144 2.484 . 0 0 "[ . 1 . 2]" 1
809 1 70 ILE MG 1 89 ASP QB . . 3.890 2.961 2.260 3.522 . 0 0 "[ . 1 . 2]" 1
810 1 70 ILE MG 1 90 GLY H . . 4.280 3.566 3.298 3.809 . 0 0 "[ . 1 . 2]" 1
811 1 70 ILE MG 1 91 SER H . . 4.300 4.029 3.822 4.277 . 0 0 "[ . 1 . 2]" 1
812 1 70 ILE MG 1 93 PHE QE . . 4.850 4.343 3.845 4.866 0.016 19 0 "[ . 1 . 2]" 1
813 1 70 ILE MG 1 114 CYS HB3 . . 4.490 4.535 4.516 4.553 0.063 1 0 "[ . 1 . 2]" 1
814 1 70 ILE MG 1 116 LEU HA . . 3.940 3.899 3.744 3.969 0.029 19 0 "[ . 1 . 2]" 1
815 1 70 ILE MG 1 116 LEU QD . . 2.820 2.171 2.068 2.383 . 0 0 "[ . 1 . 2]" 1
816 1 70 ILE N 1 91 SER O . . 3.000 2.891 2.800 3.001 0.001 19 0 "[ . 1 . 2]" 1
817 1 71 GLN H 1 71 GLN HE21 . . 5.750 5.382 4.768 5.760 0.010 18 0 "[ . 1 . 2]" 1
818 1 71 GLN H 1 71 GLN QG . . 5.110 4.046 3.733 4.153 . 0 0 "[ . 1 . 2]" 1
819 1 71 GLN H 1 72 HIS H . . 4.200 2.531 2.311 2.767 . 0 0 "[ . 1 . 2]" 1
820 1 71 GLN H 1 72 HIS HA . . 5.800 4.938 4.703 5.121 . 0 0 "[ . 1 . 2]" 1
821 1 71 GLN H 1 115 ARG O . . 2.000 2.037 2.000 2.094 0.094 11 0 "[ . 1 . 2]" 1
822 1 71 GLN H 1 116 LEU HA . . 4.630 2.337 2.102 2.500 . 0 0 "[ . 1 . 2]" 1
823 1 71 GLN H 1 116 LEU HB3 . . 4.740 4.629 4.346 4.766 0.026 8 0 "[ . 1 . 2]" 1
824 1 71 GLN H 1 116 LEU QD . . 3.590 3.020 2.842 3.263 . 0 0 "[ . 1 . 2]" 1
825 1 71 GLN H 1 117 TYR H . . 5.130 3.862 3.435 4.375 . 0 0 "[ . 1 . 2]" 1
826 1 71 GLN H 1 117 TYR HB2 . . 5.720 5.104 4.297 5.818 0.098 4 0 "[ . 1 . 2]" 1
827 1 71 GLN HA 1 71 GLN HE21 . . 5.300 4.137 2.293 5.186 . 0 0 "[ . 1 . 2]" 1
828 1 71 GLN HA 1 71 GLN QG . . 3.950 2.429 2.165 3.204 . 0 0 "[ . 1 . 2]" 1
829 1 71 GLN HA 1 72 HIS HB2 . . 5.220 4.884 4.647 5.228 0.008 16 0 "[ . 1 . 2]" 1
830 1 71 GLN QB 1 72 HIS H . . 4.150 2.514 2.324 2.768 . 0 0 "[ . 1 . 2]" 1
831 1 71 GLN HE21 1 72 HIS H . . 4.480 4.359 3.911 4.529 0.049 14 0 "[ . 1 . 2]" 1
832 1 71 GLN HE21 1 72 HIS HB2 . . 4.620 3.347 2.275 4.568 . 0 0 "[ . 1 . 2]" 1
833 1 71 GLN HE22 1 72 HIS HB2 . . 5.080 3.278 2.283 4.865 . 0 0 "[ . 1 . 2]" 1
834 1 71 GLN QG 1 72 HIS H . . 4.830 4.138 3.578 4.396 . 0 0 "[ . 1 . 2]" 1
835 1 71 GLN QG 1 117 TYR HB2 . . 5.390 4.497 3.682 5.155 . 0 0 "[ . 1 . 2]" 1
836 1 71 GLN N 1 115 ARG O . . 3.000 2.876 2.778 2.946 . 0 0 "[ . 1 . 2]" 1
837 1 72 HIS H 1 73 GLY H . . 4.870 4.034 3.793 4.279 . 0 0 "[ . 1 . 2]" 1
838 1 72 HIS H 1 73 GLY QA . . 4.960 4.460 4.122 4.660 . 0 0 "[ . 1 . 2]" 1
839 1 72 HIS H 1 89 ASP HA . . 5.410 4.827 4.504 5.173 . 0 0 "[ . 1 . 2]" 1
840 1 72 HIS H 1 115 ARG H . . 4.360 3.255 3.091 3.496 . 0 0 "[ . 1 . 2]" 1
841 1 72 HIS H 1 115 ARG QG . . 4.170 3.974 3.515 4.229 0.059 3 0 "[ . 1 . 2]" 1
842 1 72 HIS H 1 116 LEU H . . 5.280 5.052 4.873 5.188 . 0 0 "[ . 1 . 2]" 1
843 1 72 HIS H 1 116 LEU HA . . 4.340 4.230 3.986 4.365 0.025 14 0 "[ . 1 . 2]" 1
844 1 72 HIS H 1 116 LEU QD . . 4.640 3.966 3.589 4.265 . 0 0 "[ . 1 . 2]" 1
845 1 72 HIS HA 1 73 GLY H . . 3.220 2.244 2.158 2.310 . 0 0 "[ . 1 . 2]" 1
846 1 72 HIS HA 1 89 ASP H . . 4.770 4.575 4.272 4.803 0.033 7 0 "[ . 1 . 2]" 1
847 1 72 HIS HB2 1 73 GLY H . . 5.310 4.536 4.324 4.699 . 0 0 "[ . 1 . 2]" 1
848 1 72 HIS HB2 1 115 ARG H . . 5.200 4.938 3.887 5.235 0.035 4 0 "[ . 1 . 2]" 1
849 1 72 HIS HB2 1 115 ARG HB3 . . 5.360 4.433 2.826 5.365 0.005 3 0 "[ . 1 . 2]" 1
850 1 72 HIS HB3 1 73 GLY H . . 4.430 4.264 3.585 4.474 0.044 15 0 "[ . 1 . 2]" 1
851 1 72 HIS HB3 1 115 ARG H . . 4.640 3.760 3.352 4.442 . 0 0 "[ . 1 . 2]" 1
852 1 72 HIS HB3 1 115 ARG HB3 . . 4.660 3.808 2.263 4.695 0.035 8 0 "[ . 1 . 2]" 1
853 1 72 HIS O 1 115 ARG H . . 2.000 1.829 1.785 1.949 . 0 0 "[ . 1 . 2]" 1
854 1 72 HIS O 1 115 ARG N . . 3.000 2.828 2.766 2.955 . 0 0 "[ . 1 . 2]" 1
855 1 73 GLY H 1 74 VAL H . . 4.590 4.365 4.310 4.417 . 0 0 "[ . 1 . 2]" 1
856 1 73 GLY H 1 74 VAL HA . . 4.700 4.759 4.730 4.788 0.088 11 0 "[ . 1 . 2]" 1
857 1 73 GLY H 1 74 VAL QG . . 4.740 4.095 3.907 4.218 . 0 0 "[ . 1 . 2]" 1
858 1 73 GLY H 1 88 SER HA . . 4.930 4.738 4.443 4.948 0.018 4 0 "[ . 1 . 2]" 1
859 1 73 GLY H 1 89 ASP H . . 4.320 3.306 2.942 3.525 . 0 0 "[ . 1 . 2]" 1
860 1 73 GLY H 1 89 ASP HA . . 4.730 3.807 3.233 4.329 . 0 0 "[ . 1 . 2]" 1
861 1 73 GLY H 1 89 ASP QB . . 4.210 2.104 1.772 2.823 . 0 0 "[ . 1 . 2]" 1
862 1 73 GLY H 1 114 CYS HA . . 5.310 4.935 4.641 5.202 . 0 0 "[ . 1 . 2]" 1
863 1 73 GLY H 1 115 ARG H . . 5.140 4.800 4.643 4.937 . 0 0 "[ . 1 . 2]" 1
864 1 73 GLY QA 1 74 VAL H . . 3.510 2.224 2.154 2.286 . 0 0 "[ . 1 . 2]" 1
865 1 73 GLY QA 1 114 CYS HA . . 4.460 2.343 2.037 2.555 . 0 0 "[ . 1 . 2]" 1
866 1 74 VAL H 1 74 VAL HB . . 4.030 2.856 2.720 2.946 . 0 0 "[ . 1 . 2]" 1
867 1 74 VAL H 1 74 VAL QG . . 2.970 2.935 2.804 3.018 0.048 5 0 "[ . 1 . 2]" 1
868 1 74 VAL H 1 75 VAL H . . 4.680 4.356 4.283 4.414 . 0 0 "[ . 1 . 2]" 1
869 1 74 VAL H 1 75 VAL MG1 . . 5.800 4.071 3.869 4.439 . 0 0 "[ . 1 . 2]" 1
870 1 74 VAL H 1 75 VAL MG2 . . 5.370 5.388 5.370 5.409 0.039 13 0 "[ . 1 . 2]" 1
871 1 74 VAL H 1 88 SER HA . . 5.130 4.960 4.709 5.153 0.023 9 0 "[ . 1 . 2]" 1
872 1 74 VAL H 1 111 ASP H . . 5.430 4.372 4.170 4.643 . 0 0 "[ . 1 . 2]" 1
873 1 74 VAL H 1 112 THR MG . . 3.820 2.018 1.811 2.283 . 0 0 "[ . 1 . 2]" 1
874 1 74 VAL H 1 114 CYS HA . . 4.630 3.863 3.554 4.164 . 0 0 "[ . 1 . 2]" 1
875 1 74 VAL H 1 114 CYS HB2 . . 4.770 3.160 2.669 3.814 . 0 0 "[ . 1 . 2]" 1
876 1 74 VAL H 1 114 CYS HB3 . . 4.870 4.096 3.099 4.760 . 0 0 "[ . 1 . 2]" 1
877 1 74 VAL HA 1 74 VAL QG . . 2.800 2.185 2.160 2.219 . 0 0 "[ . 1 . 2]" 1
878 1 74 VAL HA 1 75 VAL H . . 3.530 2.275 2.178 2.340 . 0 0 "[ . 1 . 2]" 1
879 1 74 VAL HA 1 88 SER HA . . 4.740 2.378 2.163 2.571 . 0 0 "[ . 1 . 2]" 1
880 1 74 VAL HA 1 89 ASP H . . 4.460 4.136 3.811 4.482 0.022 8 0 "[ . 1 . 2]" 1
881 1 74 VAL HB 1 75 VAL H . . 4.990 3.927 3.807 4.017 . 0 0 "[ . 1 . 2]" 1
882 1 74 VAL HB 1 112 THR MG . . 2.960 2.196 2.093 2.360 . 0 0 "[ . 1 . 2]" 1
883 1 74 VAL QG 1 75 VAL H . . 2.850 2.325 2.227 2.387 . 0 0 "[ . 1 . 2]" 1
884 1 74 VAL QG 1 75 VAL HB . . 5.280 5.056 4.920 5.153 . 0 0 "[ . 1 . 2]" 1
885 1 74 VAL QG 1 86 LYS HA . . 4.310 3.929 3.682 4.168 . 0 0 "[ . 1 . 2]" 1
886 1 74 VAL QG 1 86 LYS HB3 . . 4.730 3.131 2.364 4.179 . 0 0 "[ . 1 . 2]" 1
887 1 74 VAL QG 1 86 LYS QG . . 3.580 2.186 2.007 2.457 . 0 0 "[ . 1 . 2]" 1
888 1 74 VAL QG 1 87 LEU H . . 3.600 3.262 3.040 3.537 . 0 0 "[ . 1 . 2]" 1
889 1 74 VAL QG 1 88 SER HA . . 3.700 2.805 2.416 3.226 . 0 0 "[ . 1 . 2]" 1
890 1 74 VAL QG 1 88 SER HB3 . . 3.290 2.961 2.281 3.672 0.382 18 0 "[ . 1 . 2]" 1
891 1 74 VAL QG 1 89 ASP H . . 3.980 3.688 3.392 4.078 0.098 8 0 "[ . 1 . 2]" 1
892 1 74 VAL QG 1 111 ASP H . . 4.810 3.953 3.788 4.133 . 0 0 "[ . 1 . 2]" 1
893 1 74 VAL QG 1 111 ASP HB2 . . 3.470 2.560 2.327 3.051 . 0 0 "[ . 1 . 2]" 1
894 1 74 VAL QG 1 111 ASP HB3 . . 3.390 2.854 2.618 3.178 . 0 0 "[ . 1 . 2]" 1
895 1 75 VAL H 1 75 VAL MG1 . . 4.680 3.065 2.965 3.191 . 0 0 "[ . 1 . 2]" 1
896 1 75 VAL H 1 75 VAL MG2 . . 3.200 2.300 2.236 2.361 . 0 0 "[ . 1 . 2]" 1
897 1 75 VAL H 1 86 LYS HA . . 4.770 4.463 4.254 4.756 . 0 0 "[ . 1 . 2]" 1
898 1 75 VAL H 1 87 LEU H . . 4.270 2.882 2.702 3.037 . 0 0 "[ . 1 . 2]" 1
899 1 75 VAL H 1 87 LEU O . . 2.000 1.862 1.790 1.928 . 0 0 "[ . 1 . 2]" 1
900 1 75 VAL H 1 88 SER HA . . 4.380 3.629 3.277 3.917 . 0 0 "[ . 1 . 2]" 1
901 1 75 VAL H 1 88 SER HB3 . . 5.620 5.138 4.163 5.678 0.058 13 0 "[ . 1 . 2]" 1
902 1 75 VAL H 1 110 ALA HA . . 5.600 5.236 4.958 5.504 . 0 0 "[ . 1 . 2]" 1
903 1 75 VAL H 1 111 ASP H . . 5.090 4.339 4.213 4.504 . 0 0 "[ . 1 . 2]" 1
904 1 75 VAL HA 1 75 VAL MG1 . . 3.170 2.363 2.281 2.431 . 0 0 "[ . 1 . 2]" 1
905 1 75 VAL HA 1 75 VAL MG2 . . 3.640 3.243 3.223 3.260 . 0 0 "[ . 1 . 2]" 1
906 1 75 VAL HA 1 110 ALA HA . . 4.520 2.528 2.220 2.877 . 0 0 "[ . 1 . 2]" 1
907 1 75 VAL HA 1 111 ASP H . . 4.270 2.014 1.872 2.154 . 0 0 "[ . 1 . 2]" 1
908 1 75 VAL HA 1 111 ASP HB2 . . 5.310 2.816 2.432 3.323 . 0 0 "[ . 1 . 2]" 1
909 1 75 VAL HA 1 111 ASP HB3 . . 5.280 3.933 3.660 4.342 . 0 0 "[ . 1 . 2]" 1
910 1 75 VAL HA 1 112 THR H . . 4.950 4.214 3.982 4.368 . 0 0 "[ . 1 . 2]" 1
911 1 75 VAL HB 1 76 SER H . . 3.930 2.663 2.464 2.867 . 0 0 "[ . 1 . 2]" 1
912 1 75 VAL HB 1 108 VAL MG2 . . 4.250 2.401 2.139 2.916 . 0 0 "[ . 1 . 2]" 1
913 1 75 VAL MG1 1 76 SER H . . 4.120 3.749 3.533 3.931 . 0 0 "[ . 1 . 2]" 1
914 1 75 VAL MG1 1 87 LEU H . . 5.800 4.867 4.633 5.077 . 0 0 "[ . 1 . 2]" 1
915 1 75 VAL MG1 1 93 PHE HZ . . 4.980 2.714 2.114 3.232 . 0 0 "[ . 1 . 2]" 1
916 1 75 VAL MG1 1 110 ALA H . . 4.960 4.301 4.001 4.802 . 0 0 "[ . 1 . 2]" 1
917 1 75 VAL MG1 1 110 ALA HA . . 3.320 2.206 2.053 2.565 . 0 0 "[ . 1 . 2]" 1
918 1 75 VAL MG1 1 111 ASP H . . 3.680 3.236 2.884 3.536 . 0 0 "[ . 1 . 2]" 1
919 1 75 VAL MG1 1 112 THR H . . 4.840 4.566 4.201 4.796 . 0 0 "[ . 1 . 2]" 1
920 1 75 VAL MG2 1 76 SER H . . 4.170 3.670 3.567 3.801 . 0 0 "[ . 1 . 2]" 1
921 1 75 VAL MG2 1 77 VAL H . . 5.570 4.315 3.460 4.740 . 0 0 "[ . 1 . 2]" 1
922 1 75 VAL MG2 1 77 VAL MG2 . . 3.380 3.144 2.381 3.392 0.012 17 0 "[ . 1 . 2]" 1
923 1 75 VAL MG2 1 86 LYS HA . . 4.270 3.875 3.521 4.221 . 0 0 "[ . 1 . 2]" 1
924 1 75 VAL MG2 1 87 LEU H . . 3.760 2.644 2.307 3.038 . 0 0 "[ . 1 . 2]" 1
925 1 75 VAL MG2 1 87 LEU HA . . 4.370 3.972 3.807 4.203 . 0 0 "[ . 1 . 2]" 1
926 1 75 VAL MG2 1 87 LEU HB3 . . 3.220 2.349 2.039 2.939 . 0 0 "[ . 1 . 2]" 1
927 1 75 VAL MG2 1 87 LEU MD1 . . 3.570 3.596 3.573 3.615 0.045 6 0 "[ . 1 . 2]" 1
928 1 75 VAL MG2 1 87 LEU MD2 . . 3.200 2.998 2.171 3.214 0.014 20 0 "[ . 1 . 2]" 1
929 1 75 VAL MG2 1 88 SER H . . 4.360 4.303 4.088 4.389 0.029 14 0 "[ . 1 . 2]" 1
930 1 75 VAL MG2 1 88 SER HA . . 5.030 4.121 3.633 4.598 . 0 0 "[ . 1 . 2]" 1
931 1 75 VAL MG2 1 93 PHE QD . . 4.290 3.721 2.592 4.630 0.340 12 0 "[ . 1 . 2]" 1
932 1 75 VAL MG2 1 93 PHE QE . . 5.750 2.269 2.049 2.952 . 0 0 "[ . 1 . 2]" 1
933 1 75 VAL MG2 1 93 PHE HZ . . 4.910 3.360 2.137 4.194 . 0 0 "[ . 1 . 2]" 1
934 1 75 VAL MG2 1 108 VAL HB . . 5.320 4.658 4.268 5.249 . 0 0 "[ . 1 . 2]" 1
935 1 75 VAL MG2 1 108 VAL MG2 . . 2.870 2.521 2.248 2.874 0.004 8 0 "[ . 1 . 2]" 1
936 1 75 VAL MG2 1 109 ARG H . . 5.030 4.876 4.611 5.033 0.003 5 0 "[ . 1 . 2]" 1
937 1 75 VAL MG2 1 111 ASP H . . 4.950 4.830 4.667 4.951 0.001 7 0 "[ . 1 . 2]" 1
938 1 75 VAL N 1 87 LEU O . . 3.000 2.860 2.803 2.925 . 0 0 "[ . 1 . 2]" 1
939 1 75 VAL O 1 87 LEU H . . 2.000 1.933 1.831 2.025 0.025 5 0 "[ . 1 . 2]" 1
940 1 75 VAL O 1 87 LEU N . . 3.000 2.923 2.824 2.999 . 0 0 "[ . 1 . 2]" 1
941 1 76 SER H 1 77 VAL H . . 4.860 4.292 4.201 4.383 . 0 0 "[ . 1 . 2]" 1
942 1 76 SER H 1 77 VAL MG2 . . 5.430 5.332 4.726 5.527 0.097 14 0 "[ . 1 . 2]" 1
943 1 76 SER H 1 86 LYS HA . . 5.110 4.853 4.732 5.013 . 0 0 "[ . 1 . 2]" 1
944 1 76 SER H 1 108 VAL MG2 . . 4.380 3.458 3.158 3.938 . 0 0 "[ . 1 . 2]" 1
945 1 76 SER H 1 109 ARG O . . 2.000 1.912 1.823 2.007 0.007 10 0 "[ . 1 . 2]" 1
946 1 76 SER H 1 110 ALA HA . . 4.370 3.603 3.145 4.100 . 0 0 "[ . 1 . 2]" 1
947 1 76 SER H 1 111 ASP H . . 4.650 3.388 3.248 3.458 . 0 0 "[ . 1 . 2]" 1
948 1 76 SER H 1 111 ASP HB3 . . 5.070 5.016 4.705 5.108 0.038 15 0 "[ . 1 . 2]" 1
949 1 76 SER H 1 112 THR H . . 5.520 5.581 5.543 5.615 0.095 16 0 "[ . 1 . 2]" 1
950 1 76 SER HA 1 77 VAL H . . 3.500 2.095 2.019 2.133 . 0 0 "[ . 1 . 2]" 1
951 1 76 SER HA 1 77 VAL MG2 . . 4.710 4.392 3.506 4.742 0.032 4 0 "[ . 1 . 2]" 1
952 1 76 SER HA 1 85 MET H . . 5.260 4.585 3.753 5.061 . 0 0 "[ . 1 . 2]" 1
953 1 76 SER HA 1 86 LYS H . . 4.660 4.770 4.666 4.858 0.198 16 0 "[ . 1 . 2]" 1
954 1 76 SER HA 1 86 LYS HA . . 3.840 2.486 2.252 2.778 . 0 0 "[ . 1 . 2]" 1
955 1 76 SER HA 1 86 LYS QG . . 4.560 3.540 2.983 4.289 . 0 0 "[ . 1 . 2]" 1
956 1 76 SER QB 1 77 VAL H . . 4.460 3.156 2.932 3.452 . 0 0 "[ . 1 . 2]" 1
957 1 76 SER QB 1 78 LEU QD . . 3.240 3.979 2.772 4.663 1.423 11 14 "[******* *1+***.*- 2]" 1
958 1 76 SER QB 1 84 GLU QB . . 5.290 4.338 2.272 5.184 . 0 0 "[ . 1 . 2]" 1
959 1 76 SER QB 1 86 LYS HA . . 5.010 4.427 4.160 4.666 . 0 0 "[ . 1 . 2]" 1
960 1 76 SER QB 1 86 LYS HD3 . . 4.430 3.296 2.714 3.796 . 0 0 "[ . 1 . 2]" 1
961 1 76 SER QB 1 86 LYS QE . . 4.970 4.357 3.449 4.757 . 0 0 "[ . 1 . 2]" 1
962 1 76 SER QB 1 86 LYS QG . . 5.520 4.555 3.784 5.214 . 0 0 "[ . 1 . 2]" 1
963 1 76 SER QB 1 109 ARG H . . 5.170 3.919 3.507 4.209 . 0 0 "[ . 1 . 2]" 1
964 1 76 SER QB 1 109 ARG HG2 . . 4.090 2.782 2.203 3.312 . 0 0 "[ . 1 . 2]" 1
965 1 76 SER N 1 109 ARG O . . 3.000 2.881 2.814 3.005 0.005 5 0 "[ . 1 . 2]" 1
966 1 76 SER O 1 109 ARG H . . 2.000 1.929 1.847 2.012 0.012 16 0 "[ . 1 . 2]" 1
967 1 76 SER O 1 109 ARG N . . 3.000 2.941 2.858 3.017 0.017 16 0 "[ . 1 . 2]" 1
968 1 77 VAL H 1 77 VAL HB . . 3.710 2.955 2.603 3.175 . 0 0 "[ . 1 . 2]" 1
969 1 77 VAL H 1 77 VAL MG1 . . 4.380 2.468 1.847 3.845 . 0 0 "[ . 1 . 2]" 1
970 1 77 VAL H 1 77 VAL MG2 . . 3.460 3.121 2.112 3.559 0.099 17 0 "[ . 1 . 2]" 1
971 1 77 VAL H 1 84 GLU QB . . 5.070 4.540 3.850 5.031 . 0 0 "[ . 1 . 2]" 1
972 1 77 VAL H 1 85 MET H . . 4.660 3.081 2.863 3.324 . 0 0 "[ . 1 . 2]" 1
973 1 77 VAL H 1 85 MET HA . . 4.820 4.766 4.685 4.832 0.012 13 0 "[ . 1 . 2]" 1
974 1 77 VAL H 1 85 MET QB . . 4.630 3.888 3.414 4.139 . 0 0 "[ . 1 . 2]" 1
975 1 77 VAL H 1 85 MET O . . 2.000 1.929 1.741 2.017 0.017 1 0 "[ . 1 . 2]" 1
976 1 77 VAL H 1 86 LYS HA . . 4.360 3.315 3.074 3.712 . 0 0 "[ . 1 . 2]" 1
977 1 77 VAL HA 1 77 VAL MG1 . . 3.170 2.931 2.310 3.194 0.024 5 0 "[ . 1 . 2]" 1
978 1 77 VAL HA 1 77 VAL MG2 . . 3.250 2.613 2.521 2.684 . 0 0 "[ . 1 . 2]" 1
979 1 77 VAL HA 1 108 VAL HA . . 4.900 2.360 2.182 2.508 . 0 0 "[ . 1 . 2]" 1
980 1 77 VAL HA 1 108 VAL MG1 . . 4.000 4.006 3.760 4.063 0.063 2 0 "[ . 1 . 2]" 1
981 1 77 VAL HA 1 108 VAL MG2 . . 4.010 2.250 2.079 2.459 . 0 0 "[ . 1 . 2]" 1
982 1 77 VAL HA 1 109 ARG H . . 4.760 3.332 3.074 3.574 . 0 0 "[ . 1 . 2]" 1
983 1 77 VAL HB 1 108 VAL MG2 . . 4.950 2.810 2.090 4.372 . 0 0 "[ . 1 . 2]" 1
984 1 77 VAL MG1 1 78 LEU H . . 4.350 3.465 2.334 4.010 . 0 0 "[ . 1 . 2]" 1
985 1 77 VAL MG1 1 78 LEU HA . . 3.740 3.784 3.609 3.850 0.110 14 0 "[ . 1 . 2]" 1
986 1 77 VAL MG1 1 79 THR H . . 4.400 4.414 4.124 4.550 0.150 17 0 "[ . 1 . 2]" 1
987 1 77 VAL MG1 1 85 MET H . . 5.800 2.965 2.090 4.544 . 0 0 "[ . 1 . 2]" 1
988 1 77 VAL MG1 1 85 MET ME . . 3.210 2.657 2.212 3.104 . 0 0 "[ . 1 . 2]" 1
989 1 77 VAL MG2 1 85 MET H . . 4.410 3.776 3.438 4.244 . 0 0 "[ . 1 . 2]" 1
990 1 77 VAL MG2 1 85 MET HA . . 5.090 5.177 5.100 5.245 0.155 17 0 "[ . 1 . 2]" 1
991 1 77 VAL MG2 1 85 MET ME . . 3.280 2.743 1.998 3.298 0.018 15 0 "[ . 1 . 2]" 1
992 1 77 VAL MG2 1 86 LYS H . . 5.300 5.233 4.937 5.342 0.042 13 0 "[ . 1 . 2]" 1
993 1 77 VAL MG2 1 86 LYS HA . . 4.240 4.296 3.906 4.424 0.184 11 0 "[ . 1 . 2]" 1
994 1 77 VAL MG2 1 87 LEU MD2 . . 2.980 2.673 2.091 2.989 0.009 14 0 "[ . 1 . 2]" 1
995 1 77 VAL MG2 1 108 VAL MG2 . . 3.310 2.612 2.079 3.000 . 0 0 "[ . 1 . 2]" 1
996 1 77 VAL N 1 85 MET O . . 3.000 2.938 2.737 3.029 0.029 1 0 "[ . 1 . 2]" 1
997 1 77 VAL O 1 85 MET H . . 2.000 1.874 1.804 2.000 . 0 0 "[ . 1 . 2]" 1
998 1 77 VAL O 1 85 MET N . . 3.000 2.862 2.811 2.962 . 0 0 "[ . 1 . 2]" 1
999 1 78 LEU H 1 78 LEU HG . . 4.470 4.422 3.941 4.497 0.027 17 0 "[ . 1 . 2]" 1
1000 1 78 LEU H 1 79 THR H . . 4.480 4.387 4.238 4.509 0.029 8 0 "[ . 1 . 2]" 1
1001 1 78 LEU H 1 79 THR MG . . 4.750 4.756 4.568 4.807 0.057 7 0 "[ . 1 . 2]" 1
1002 1 78 LEU H 1 107 SER O . . 2.000 1.996 1.883 2.056 0.056 7 0 "[ . 1 . 2]" 1
1003 1 78 LEU H 1 108 VAL MG2 . . 3.840 3.887 3.862 3.930 0.090 3 0 "[ . 1 . 2]" 1
1004 1 78 LEU HA 1 78 LEU QD . . 2.740 2.310 2.074 3.105 0.365 11 0 "[ . 1 . 2]" 1
1005 1 78 LEU HA 1 78 LEU HG . . 4.230 3.804 2.451 3.968 . 0 0 "[ . 1 . 2]" 1
1006 1 78 LEU HA 1 79 THR H . . 3.070 2.253 2.139 2.333 . 0 0 "[ . 1 . 2]" 1
1007 1 78 LEU HA 1 84 GLU H . . 4.850 4.789 4.646 4.892 0.042 14 0 "[ . 1 . 2]" 1
1008 1 78 LEU HA 1 85 MET ME . . 4.180 3.964 3.556 4.185 0.005 9 0 "[ . 1 . 2]" 1
1009 1 78 LEU QB 1 79 THR H . . 3.880 3.208 2.758 3.391 . 0 0 "[ . 1 . 2]" 1
1010 1 78 LEU QB 1 107 SER H . . 4.880 3.950 3.234 4.730 . 0 0 "[ . 1 . 2]" 1
1011 1 78 LEU QB 1 107 SER QB . . 4.510 2.363 2.035 3.108 . 0 0 "[ . 1 . 2]" 1
1012 1 78 LEU QD 1 79 THR H . . 3.080 3.720 3.163 4.291 1.211 11 15 "[***** -**+***.** *]" 1
1013 1 78 LEU QD 1 84 GLU H . . 4.770 3.527 2.877 4.191 . 0 0 "[ . 1 . 2]" 1
1014 1 78 LEU QD 1 84 GLU QB . . 3.230 2.277 1.950 3.693 0.463 11 0 "[ . 1 . 2]" 1
1015 1 78 LEU QD 1 84 GLU HG2 . . 3.890 3.794 2.120 4.470 0.580 10 2 "[ . - + . 2]" 1
1016 1 78 LEU QD 1 85 MET H . . 3.480 3.424 3.103 4.291 0.811 11 1 "[ . 1+ . 2]" 1
1017 1 78 LEU QD 1 109 ARG H . . 4.180 4.172 2.953 4.888 0.708 12 5 "[ * .** 1 +- . 2]" 1
1018 1 78 LEU QD 1 109 ARG QD . . 3.890 3.474 2.289 4.480 0.590 13 1 "[ . 1 + . 2]" 1
1019 1 78 LEU N 1 107 SER O . . 3.000 2.891 2.828 2.957 . 0 0 "[ . 1 . 2]" 1
1020 1 79 THR H 1 79 THR HB . . 3.880 3.680 3.450 3.805 . 0 0 "[ . 1 . 2]" 1
1021 1 79 THR H 1 79 THR MG . . 3.550 3.193 2.779 3.535 . 0 0 "[ . 1 . 2]" 1
1022 1 79 THR H 1 80 LYS H . . 5.040 4.560 4.419 4.747 . 0 0 "[ . 1 . 2]" 1
1023 1 79 THR H 1 80 LYS HA . . 5.690 5.287 4.691 5.622 . 0 0 "[ . 1 . 2]" 1
1024 1 79 THR H 1 82 ASN H . . 5.240 4.578 3.260 5.021 . 0 0 "[ . 1 . 2]" 1
1025 1 79 THR H 1 82 ASN HB2 . . 5.490 3.626 3.271 4.012 . 0 0 "[ . 1 . 2]" 1
1026 1 79 THR H 1 82 ASN HB3 . . 4.870 4.932 4.904 4.973 0.103 19 0 "[ . 1 . 2]" 1
1027 1 79 THR H 1 83 LYS HA . . 4.750 4.751 4.023 4.837 0.087 9 0 "[ . 1 . 2]" 1
1028 1 79 THR HA 1 79 THR MG . . 2.560 2.139 2.086 2.181 . 0 0 "[ . 1 . 2]" 1
1029 1 79 THR HA 1 80 LYS H . . 3.460 2.144 2.032 2.385 . 0 0 "[ . 1 . 2]" 1
1030 1 79 THR HB 1 80 LYS H . . 3.880 3.127 2.682 3.496 . 0 0 "[ . 1 . 2]" 1
1031 1 79 THR HB 1 80 LYS QD . . 4.770 3.775 2.708 4.774 0.004 16 0 "[ . 1 . 2]" 1
1032 1 79 THR HB 1 82 ASN HB2 . . 4.960 2.811 2.403 3.464 . 0 0 "[ . 1 . 2]" 1
1033 1 79 THR HB 1 82 ASN HB3 . . 4.320 4.117 3.672 4.375 0.055 19 0 "[ . 1 . 2]" 1
1034 1 79 THR HB 1 82 ASN HD21 . . 4.670 2.679 1.982 3.662 . 0 0 "[ . 1 . 2]" 1
1035 1 79 THR HB 1 82 ASN HD22 . . 5.210 3.562 2.806 3.940 . 0 0 "[ . 1 . 2]" 1
1036 1 79 THR HB 1 85 MET ME . . 3.850 3.796 3.673 3.880 0.030 8 0 "[ . 1 . 2]" 1
1037 1 79 THR MG 1 80 LYS H . . 3.540 3.325 2.894 3.556 0.016 16 0 "[ . 1 . 2]" 1
1038 1 79 THR MG 1 80 LYS QE . . 4.240 4.178 3.763 4.266 0.026 2 0 "[ . 1 . 2]" 1
1039 1 79 THR MG 1 82 ASN HB2 . . 4.620 4.051 3.835 4.228 . 0 0 "[ . 1 . 2]" 1
1040 1 79 THR MG 1 82 ASN HD21 . . 4.270 3.571 3.292 4.301 0.031 8 0 "[ . 1 . 2]" 1
1041 1 79 THR MG 1 82 ASN HD22 . . 4.570 4.455 3.690 4.617 0.047 17 0 "[ . 1 . 2]" 1
1042 1 79 THR MG 1 85 MET ME . . 3.200 2.069 1.948 2.310 . 0 0 "[ . 1 . 2]" 1
1043 1 79 THR O 1 82 ASN H . . 2.000 1.984 1.844 2.053 0.053 2 0 "[ . 1 . 2]" 1
1044 1 79 THR O 1 82 ASN N . . 3.000 2.892 2.805 2.937 . 0 0 "[ . 1 . 2]" 1
1045 1 80 LYS H 1 80 LYS QB . . 3.430 2.505 2.287 2.933 . 0 0 "[ . 1 . 2]" 1
1046 1 80 LYS H 1 80 LYS QD . . 3.860 2.042 1.779 2.596 . 0 0 "[ . 1 . 2]" 1
1047 1 80 LYS H 1 80 LYS HG2 . . 4.190 3.331 2.204 3.912 . 0 0 "[ . 1 . 2]" 1
1048 1 80 LYS H 1 80 LYS HG3 . . 4.840 3.917 3.625 4.279 . 0 0 "[ . 1 . 2]" 1
1049 1 80 LYS HA 1 80 LYS HG2 . . 3.700 3.717 3.648 3.774 0.074 19 0 "[ . 1 . 2]" 1
1050 1 80 LYS QB 1 80 LYS QD . . 2.400 2.340 2.166 2.628 0.228 19 0 "[ . 1 . 2]" 1
1051 1 80 LYS QD 1 81 GLY QA . . 5.140 5.063 4.546 5.982 0.842 14 3 "[ -. 1 +.* 2]" 1
1052 1 80 LYS HG2 1 81 GLY QA . . 4.970 3.985 3.389 4.911 . 0 0 "[ . 1 . 2]" 1
1053 1 81 GLY QA 1 82 ASN HA . . 4.220 3.924 3.819 4.071 . 0 0 "[ . 1 . 2]" 1
1054 1 81 GLY QA 1 82 ASN HB3 . . 4.790 4.867 4.799 4.896 0.106 10 0 "[ . 1 . 2]" 1
1055 1 81 GLY QA 1 82 ASN HD22 . . 5.800 4.329 3.816 5.566 . 0 0 "[ . 1 . 2]" 1
1056 1 82 ASN H 1 82 ASN HB2 . . 4.050 2.662 2.362 3.602 . 0 0 "[ . 1 . 2]" 1
1057 1 82 ASN H 1 82 ASN HB3 . . 3.900 3.679 3.575 3.750 . 0 0 "[ . 1 . 2]" 1
1058 1 82 ASN H 1 82 ASN HD21 . . 4.880 4.508 4.163 4.943 0.063 19 0 "[ . 1 . 2]" 1
1059 1 82 ASN H 1 82 ASN HD22 . . 5.420 4.828 4.619 5.059 . 0 0 "[ . 1 . 2]" 1
1060 1 82 ASN HA 1 83 LYS QD . . 3.710 3.098 2.382 3.800 0.090 2 0 "[ . 1 . 2]" 1
1061 1 82 ASN HA 1 83 LYS QE . . 3.410 2.526 1.758 3.416 0.006 14 0 "[ . 1 . 2]" 1
1062 1 82 ASN HB2 1 82 ASN HD22 . . 4.040 3.617 3.528 3.805 . 0 0 "[ . 1 . 2]" 1
1063 1 82 ASN HB2 1 83 LYS H . . 4.090 2.159 1.921 2.344 . 0 0 "[ . 1 . 2]" 1
1064 1 82 ASN HB2 1 83 LYS HA . . 4.620 4.657 4.425 4.709 0.089 18 0 "[ . 1 . 2]" 1
1065 1 82 ASN HB2 1 83 LYS QD . . 4.330 4.173 3.259 4.363 0.033 6 0 "[ . 1 . 2]" 1
1066 1 82 ASN HB2 1 83 LYS QE . . 3.270 3.333 3.295 3.374 0.104 2 0 "[ . 1 . 2]" 1
1067 1 82 ASN HB3 1 82 ASN HD21 . . 3.520 2.609 2.186 2.813 . 0 0 "[ . 1 . 2]" 1
1068 1 82 ASN HB3 1 82 ASN HD22 . . 3.580 3.585 3.459 3.653 0.073 13 0 "[ . 1 . 2]" 1
1069 1 82 ASN HB3 1 83 LYS H . . 5.320 2.025 1.803 2.710 . 0 0 "[ . 1 . 2]" 1
1070 1 83 LYS H 1 83 LYS HB3 . . 3.700 3.639 2.839 3.733 0.033 13 0 "[ . 1 . 2]" 1
1071 1 83 LYS H 1 83 LYS QE . . 5.360 2.236 1.854 2.798 . 0 0 "[ . 1 . 2]" 1
1072 1 83 LYS H 1 84 GLU H . . 4.980 4.494 4.424 4.589 . 0 0 "[ . 1 . 2]" 1
1073 1 83 LYS H 1 84 GLU HA . . 5.800 5.321 5.098 5.536 . 0 0 "[ . 1 . 2]" 1
1074 1 83 LYS HA 1 83 LYS HB3 . . 2.830 2.462 2.238 2.598 . 0 0 "[ . 1 . 2]" 1
1075 1 83 LYS HA 1 83 LYS QE . . 4.350 3.679 1.982 4.129 . 0 0 "[ . 1 . 2]" 1
1076 1 83 LYS HA 1 84 GLU H . . 3.040 2.331 2.108 2.531 . 0 0 "[ . 1 . 2]" 1
1077 1 83 LYS HA 1 84 GLU HA . . 4.340 4.316 3.268 4.400 0.060 20 0 "[ . 1 . 2]" 1
1078 1 83 LYS HB2 1 83 LYS QE . . 3.940 2.905 2.084 3.974 0.034 6 0 "[ . 1 . 2]" 1
1079 1 83 LYS HB3 1 84 GLU H . . 3.650 2.389 2.103 3.432 . 0 0 "[ . 1 . 2]" 1
1080 1 83 LYS HB3 1 84 GLU HA . . 5.070 4.581 4.247 5.267 0.197 19 0 "[ . 1 . 2]" 1
1081 1 83 LYS QD 1 83 LYS QG . . 2.400 2.003 1.959 2.099 . 0 0 "[ . 1 . 2]" 1
1082 1 83 LYS QE 1 83 LYS QG . . 2.490 2.631 1.999 3.005 0.515 12 1 "[ . 1 + . 2]" 1
1083 1 83 LYS QE 1 84 GLU H . . 5.580 5.204 3.743 5.630 0.050 6 0 "[ . 1 . 2]" 1
1084 1 83 LYS QG 1 84 GLU H . . 4.040 3.701 3.038 4.094 0.054 7 0 "[ . 1 . 2]" 1
1085 1 84 GLU H 1 84 GLU QB . . 3.420 2.674 2.264 3.135 . 0 0 "[ . 1 . 2]" 1
1086 1 84 GLU H 1 84 GLU HG2 . . 4.130 2.688 2.052 4.028 . 0 0 "[ . 1 . 2]" 1
1087 1 84 GLU H 1 84 GLU HG3 . . 3.890 3.321 2.288 3.885 . 0 0 "[ . 1 . 2]" 1
1088 1 84 GLU H 1 85 MET H . . 4.810 4.478 4.147 4.651 . 0 0 "[ . 1 . 2]" 1
1089 1 84 GLU HA 1 85 MET H . . 3.360 2.126 1.999 2.339 . 0 0 "[ . 1 . 2]" 1
1090 1 84 GLU HG3 1 85 MET H . . 4.490 4.385 3.709 4.599 0.109 3 0 "[ . 1 . 2]" 1
1091 1 85 MET H 1 85 MET QB . . 3.910 2.620 2.204 2.999 . 0 0 "[ . 1 . 2]" 1
1092 1 85 MET H 1 85 MET ME . . 3.750 3.774 3.671 3.831 0.081 5 0 "[ . 1 . 2]" 1
1093 1 85 MET H 1 85 MET QG . . 3.840 3.214 2.819 3.876 0.036 5 0 "[ . 1 . 2]" 1
1094 1 85 MET H 1 86 LYS H . . 4.670 4.416 4.184 4.527 . 0 0 "[ . 1 . 2]" 1
1095 1 85 MET HA 1 86 LYS H . . 2.930 2.308 2.122 2.411 . 0 0 "[ . 1 . 2]" 1
1096 1 85 MET HA 1 86 LYS HA . . 4.390 4.434 4.370 4.468 0.078 5 0 "[ . 1 . 2]" 1
1097 1 85 MET QB 1 85 MET ME . . 2.400 2.064 1.951 2.179 . 0 0 "[ . 1 . 2]" 1
1098 1 85 MET QB 1 86 LYS H . . 3.840 2.735 2.205 3.471 . 0 0 "[ . 1 . 2]" 1
1099 1 85 MET QG 1 86 LYS H . . 4.010 3.615 2.124 4.059 0.049 8 0 "[ . 1 . 2]" 1
1100 1 86 LYS H 1 86 LYS HB2 . . 3.610 2.347 2.146 2.537 . 0 0 "[ . 1 . 2]" 1
1101 1 86 LYS H 1 86 LYS HB3 . . 3.640 3.314 2.692 3.611 . 0 0 "[ . 1 . 2]" 1
1102 1 86 LYS H 1 86 LYS HD3 . . 4.170 3.782 3.264 4.226 0.056 7 0 "[ . 1 . 2]" 1
1103 1 86 LYS H 1 86 LYS QE . . 4.480 2.957 2.412 4.394 . 0 0 "[ . 1 . 2]" 1
1104 1 86 LYS H 1 86 LYS HE3 . . 5.000 3.945 2.473 5.027 0.027 20 0 "[ . 1 . 2]" 1
1105 1 86 LYS H 1 86 LYS QG . . 3.930 3.991 3.932 4.034 0.104 7 0 "[ . 1 . 2]" 1
1106 1 86 LYS H 1 87 LEU H . . 4.590 4.406 4.260 4.593 0.003 15 0 "[ . 1 . 2]" 1
1107 1 86 LYS HA 1 86 LYS HD2 . . 4.030 3.801 3.532 4.029 . 0 0 "[ . 1 . 2]" 1
1108 1 86 LYS HA 1 86 LYS HD3 . . 4.000 2.362 2.146 2.526 . 0 0 "[ . 1 . 2]" 1
1109 1 86 LYS HA 1 86 LYS QG . . 3.700 2.590 2.283 2.801 . 0 0 "[ . 1 . 2]" 1
1110 1 86 LYS HA 1 87 LEU H . . 3.530 2.136 2.032 2.298 . 0 0 "[ . 1 . 2]" 1
1111 1 86 LYS HB2 1 87 LEU H . . 4.800 4.125 3.754 4.591 . 0 0 "[ . 1 . 2]" 1
1112 1 86 LYS HB3 1 87 LEU H . . 4.580 3.085 2.453 4.100 . 0 0 "[ . 1 . 2]" 1
1113 1 86 LYS HD3 1 87 LEU H . . 4.210 4.080 3.526 4.344 0.134 13 0 "[ . 1 . 2]" 1
1114 1 86 LYS QE 1 86 LYS QG . . 3.190 2.484 2.256 2.868 . 0 0 "[ . 1 . 2]" 1
1115 1 86 LYS QG 1 87 LEU H . . 3.940 3.051 2.050 3.402 . 0 0 "[ . 1 . 2]" 1
1116 1 87 LEU H 1 87 LEU MD1 . . 4.430 3.604 3.009 4.457 0.027 7 0 "[ . 1 . 2]" 1
1117 1 87 LEU H 1 88 SER H . . 4.800 4.452 4.361 4.530 . 0 0 "[ . 1 . 2]" 1
1118 1 87 LEU HA 1 87 LEU MD1 . . 4.080 2.423 2.262 2.730 . 0 0 "[ . 1 . 2]" 1
1119 1 87 LEU HA 1 87 LEU MD2 . . 4.090 3.811 3.767 4.013 . 0 0 "[ . 1 . 2]" 1
1120 1 87 LEU HA 1 87 LEU HG . . 3.610 2.536 2.416 3.449 . 0 0 "[ . 1 . 2]" 1
1121 1 87 LEU HA 1 88 SER H . . 3.150 2.310 2.220 2.442 . 0 0 "[ . 1 . 2]" 1
1122 1 87 LEU HA 1 88 SER HB3 . . 5.070 4.332 4.088 4.465 . 0 0 "[ . 1 . 2]" 1
1123 1 87 LEU HB2 1 88 SER H . . 5.140 4.188 3.937 4.366 . 0 0 "[ . 1 . 2]" 1
1124 1 87 LEU MD1 1 88 SER H . . 4.760 4.009 1.869 4.508 . 0 0 "[ . 1 . 2]" 1
1125 1 87 LEU MD2 1 88 SER H . . 4.270 4.196 4.025 4.297 0.027 7 0 "[ . 1 . 2]" 1
1126 1 87 LEU MD2 1 91 SER HB2 . . 3.980 2.942 2.610 3.735 . 0 0 "[ . 1 . 2]" 1
1127 1 87 LEU MD2 1 92 TYR H . . 4.750 3.492 2.713 4.637 . 0 0 "[ . 1 . 2]" 1
1128 1 87 LEU HG 1 88 SER H . . 3.990 3.126 2.786 3.643 . 0 0 "[ . 1 . 2]" 1
1129 1 88 SER H 1 88 SER HB2 . . 4.090 3.690 3.242 4.000 . 0 0 "[ . 1 . 2]" 1
1130 1 88 SER H 1 88 SER HB3 . . 4.030 3.118 2.740 3.394 . 0 0 "[ . 1 . 2]" 1
1131 1 88 SER H 1 89 ASP H . . 4.700 4.470 4.306 4.561 . 0 0 "[ . 1 . 2]" 1
1132 1 88 SER H 1 91 SER HB2 . . 5.400 3.545 2.823 4.130 . 0 0 "[ . 1 . 2]" 1
1133 1 88 SER HB2 1 89 ASP H . . 3.450 2.479 2.090 3.518 0.068 18 0 "[ . 1 . 2]" 1
1134 1 88 SER HB3 1 89 ASP H . . 3.630 3.517 2.954 3.667 0.037 11 0 "[ . 1 . 2]" 1
1135 1 89 ASP H 1 89 ASP QB . . 3.670 2.392 2.239 2.612 . 0 0 "[ . 1 . 2]" 1
1136 1 89 ASP H 1 90 GLY H . . 4.710 4.671 4.629 4.712 0.002 12 0 "[ . 1 . 2]" 1
1137 1 89 ASP H 1 91 SER HB2 . . 5.800 5.600 5.381 5.830 0.030 10 0 "[ . 1 . 2]" 1
1138 1 89 ASP HA 1 91 SER H . . 4.240 3.212 2.830 3.481 . 0 0 "[ . 1 . 2]" 1
1139 1 89 ASP QB 1 90 GLY H . . 4.250 2.840 2.424 3.108 . 0 0 "[ . 1 . 2]" 1
1140 1 89 ASP QB 1 91 SER H . . 5.040 4.625 4.255 4.929 . 0 0 "[ . 1 . 2]" 1
1141 1 90 GLY H 1 91 SER H . . 3.950 2.694 2.446 2.873 . 0 0 "[ . 1 . 2]" 1
1142 1 91 SER H 1 91 SER HB2 . . 4.060 2.467 2.326 2.650 . 0 0 "[ . 1 . 2]" 1
1143 1 91 SER H 1 92 TYR H . . 4.630 4.618 4.521 4.650 0.020 10 0 "[ . 1 . 2]" 1
1144 1 91 SER H 1 92 TYR HA . . 5.800 5.366 5.078 5.670 . 0 0 "[ . 1 . 2]" 1
1145 1 91 SER HA 1 92 TYR H . . 3.350 2.421 2.333 2.554 . 0 0 "[ . 1 . 2]" 1
1146 1 91 SER HB2 1 92 TYR H . . 3.910 3.586 3.310 3.838 . 0 0 "[ . 1 . 2]" 1
1147 1 91 SER HB3 1 92 TYR H . . 3.820 2.435 2.254 2.615 . 0 0 "[ . 1 . 2]" 1
1148 1 92 TYR H 1 92 TYR QD . . 4.180 2.934 2.545 3.803 . 0 0 "[ . 1 . 2]" 1
1149 1 92 TYR H 1 93 PHE H . . 5.000 4.462 4.397 4.589 . 0 0 "[ . 1 . 2]" 1
1150 1 92 TYR HA 1 92 TYR QD . . 4.360 3.540 2.412 3.776 . 0 0 "[ . 1 . 2]" 1
1151 1 92 TYR QD 1 93 PHE H . . 4.390 3.518 2.348 4.393 0.003 15 0 "[ . 1 . 2]" 1
1152 1 93 PHE H 1 93 PHE QD . . 4.420 2.851 2.069 3.564 . 0 0 "[ . 1 . 2]" 1
1153 1 93 PHE H 1 94 GLY H . . 5.800 4.457 4.331 4.595 . 0 0 "[ . 1 . 2]" 1
1154 1 93 PHE H 1 94 GLY QA . . 5.020 4.775 4.510 5.061 0.041 14 0 "[ . 1 . 2]" 1
1155 1 93 PHE HB2 1 94 GLY H . . 4.800 2.526 1.987 3.950 . 0 0 "[ . 1 . 2]" 1
1156 1 93 PHE HB3 1 94 GLY H . . 4.720 3.062 2.069 3.516 . 0 0 "[ . 1 . 2]" 1
1157 1 93 PHE QD 1 94 GLY H . . 4.750 3.580 2.807 3.969 . 0 0 "[ . 1 . 2]" 1
1158 1 93 PHE QE 1 94 GLY H . . 5.800 5.724 5.097 5.858 0.058 19 0 "[ . 1 . 2]" 1
1159 1 93 PHE QE 1 108 VAL MG2 . . 3.930 2.941 2.099 3.785 . 0 0 "[ . 1 . 2]" 1
1160 1 93 PHE QE 1 116 LEU QD . . 4.180 2.335 1.930 2.867 . 0 0 "[ . 1 . 2]" 1
1161 1 93 PHE HZ 1 108 VAL MG2 . . 4.580 4.101 2.868 4.612 0.032 3 0 "[ . 1 . 2]" 1
1162 1 93 PHE HZ 1 116 LEU QD . . 3.730 2.498 1.922 3.344 . 0 0 "[ . 1 . 2]" 1
1163 1 94 GLY H 1 95 GLU H . . 5.290 3.443 2.093 4.619 . 0 0 "[ . 1 . 2]" 1
1164 1 95 GLU HA 1 95 GLU QB . . 2.670 2.411 2.133 2.587 . 0 0 "[ . 1 . 2]" 1
1165 1 95 GLU HA 1 104 ARG QD . . 4.770 3.776 2.188 4.787 0.017 9 0 "[ . 1 . 2]" 1
1166 1 95 GLU HG2 1 104 ARG QD . . 4.030 3.555 2.226 4.066 0.036 20 0 "[ . 1 . 2]" 1
1167 1 96 ILE H 1 96 ILE HB . . 4.120 2.786 2.151 3.749 . 0 0 "[ . 1 . 2]" 1
1168 1 96 ILE HA 1 96 ILE HG12 . . 3.730 3.017 2.393 3.693 . 0 0 "[ . 1 . 2]" 1
1169 1 96 ILE HA 1 96 ILE HG13 . . 3.420 2.745 2.379 3.437 0.017 20 0 "[ . 1 . 2]" 1
1170 1 96 ILE HA 1 96 ILE MG . . 2.700 2.465 2.214 2.702 0.002 19 0 "[ . 1 . 2]" 1
1171 1 96 ILE HB 1 96 ILE HG12 . . 2.960 2.824 2.453 3.015 0.055 18 0 "[ . 1 . 2]" 1
1172 1 96 ILE HG12 1 96 ILE MG . . 2.400 2.299 2.150 2.416 0.016 9 0 "[ . 1 . 2]" 1
1173 1 96 ILE MG 1 97 CYS HB3 . . 4.890 4.457 2.843 4.959 0.069 7 0 "[ . 1 . 2]" 1
1174 1 96 ILE MG 1 100 THR HB . . 3.660 3.632 3.117 3.759 0.099 15 0 "[ . 1 . 2]" 1
1175 1 96 ILE MG 1 100 THR MG . . 2.400 2.150 1.942 2.429 0.029 3 0 "[ . 1 . 2]" 1
1176 1 97 CYS HA 1 100 THR H . . 4.460 3.943 2.963 4.631 0.171 20 0 "[ . 1 . 2]" 1
1177 1 97 CYS HB3 1 98 LEU H . . 4.970 3.448 2.072 4.246 . 0 0 "[ . 1 . 2]" 1
1178 1 97 CYS HB3 1 100 THR H . . 5.400 4.159 2.428 5.479 0.079 5 0 "[ . 1 . 2]" 1
1179 1 98 LEU H 1 98 LEU MD1 . . 4.880 3.709 2.176 4.929 0.049 14 0 "[ . 1 . 2]" 1
1180 1 98 LEU H 1 98 LEU MD2 . . 4.860 3.905 3.404 4.436 . 0 0 "[ . 1 . 2]" 1
1181 1 98 LEU H 1 98 LEU HG . . 5.300 3.333 2.160 5.282 . 0 0 "[ . 1 . 2]" 1
1182 1 98 LEU H 1 99 LEU MD1 . . 5.000 4.207 3.140 5.032 0.032 11 0 "[ . 1 . 2]" 1
1183 1 98 LEU H 1 100 THR H . . 5.600 3.921 2.137 4.453 . 0 0 "[ . 1 . 2]" 1
1184 1 98 LEU HA 1 98 LEU MD1 . . 3.830 3.607 2.945 3.867 0.037 15 0 "[ . 1 . 2]" 1
1185 1 98 LEU HA 1 98 LEU MD2 . . 3.280 2.395 2.067 3.351 0.071 4 0 "[ . 1 . 2]" 1
1186 1 98 LEU HA 1 100 THR H . . 4.800 4.233 3.498 4.865 0.065 13 0 "[ . 1 . 2]" 1
1187 1 98 LEU HA 1 121 VAL MG1 . . 2.980 2.865 2.335 3.094 0.114 1 0 "[ . 1 . 2]" 1
1188 1 98 LEU HA 1 121 VAL MG2 . . 3.960 3.051 1.921 4.004 0.044 19 0 "[ . 1 . 2]" 1
1189 1 98 LEU HB2 1 99 LEU H . . 5.720 3.120 2.189 3.840 . 0 0 "[ . 1 . 2]" 1
1190 1 98 LEU MD1 1 121 VAL HA . . 4.520 4.521 4.325 4.575 0.055 20 0 "[ . 1 . 2]" 1
1191 1 98 LEU MD1 1 124 PHE QD . . 4.080 3.056 2.385 3.871 . 0 0 "[ . 1 . 2]" 1
1192 1 98 LEU MD1 1 124 PHE QE . . 5.800 2.988 2.598 3.888 . 0 0 "[ . 1 . 2]" 1
1193 1 98 LEU MD1 1 124 PHE HZ . . 5.490 3.545 3.155 4.512 . 0 0 "[ . 1 . 2]" 1
1194 1 98 LEU MD1 1 138 PHE HZ . . 5.040 4.192 3.226 5.050 0.010 14 0 "[ . 1 . 2]" 1
1195 1 98 LEU MD2 1 121 VAL HA . . 3.800 2.511 1.975 2.784 . 0 0 "[ . 1 . 2]" 1
1196 1 98 LEU MD2 1 121 VAL HB . . 4.100 2.620 1.881 4.099 . 0 0 "[ . 1 . 2]" 1
1197 1 98 LEU MD2 1 121 VAL MG1 . . 3.030 2.587 2.004 3.171 0.141 15 0 "[ . 1 . 2]" 1
1198 1 98 LEU MD2 1 121 VAL MG2 . . 3.290 2.755 1.749 3.400 0.110 4 0 "[ . 1 . 2]" 1
1199 1 98 LEU MD2 1 124 PHE H . . 5.040 3.995 3.530 4.313 . 0 0 "[ . 1 . 2]" 1
1200 1 98 LEU MD2 1 124 PHE HA . . 4.260 4.309 4.131 4.363 0.103 16 0 "[ . 1 . 2]" 1
1201 1 98 LEU MD2 1 124 PHE HB3 . . 4.790 2.180 1.954 2.646 . 0 0 "[ . 1 . 2]" 1
1202 1 98 LEU MD2 1 124 PHE QD . . 5.470 2.597 2.395 2.855 . 0 0 "[ . 1 . 2]" 1
1203 1 98 LEU MD2 1 124 PHE QE . . 5.800 3.518 3.029 3.837 . 0 0 "[ . 1 . 2]" 1
1204 1 98 LEU MD2 1 124 PHE HZ . . 5.800 4.480 3.643 5.004 . 0 0 "[ . 1 . 2]" 1
1205 1 98 LEU MD2 1 125 ASN H . . 5.030 3.517 2.506 4.568 . 0 0 "[ . 1 . 2]" 1
1206 1 98 LEU MD2 1 138 PHE HZ . . 5.710 5.689 5.372 5.753 0.043 11 0 "[ . 1 . 2]" 1
1207 1 99 LEU H 1 99 LEU MD1 . . 3.240 2.309 1.709 2.947 . 0 0 "[ . 1 . 2]" 1
1208 1 99 LEU H 1 99 LEU HG . . 4.620 3.163 2.049 4.320 . 0 0 "[ . 1 . 2]" 1
1209 1 99 LEU H 1 100 THR H . . 3.690 2.247 1.777 2.730 . 0 0 "[ . 1 . 2]" 1
1210 1 99 LEU HA 1 99 LEU MD1 . . 3.610 3.568 3.299 3.648 0.038 8 0 "[ . 1 . 2]" 1
1211 1 99 LEU HB2 1 99 LEU MD1 . . 3.280 2.542 2.183 3.260 . 0 0 "[ . 1 . 2]" 1
1212 1 99 LEU HB2 1 100 THR H . . 4.380 4.043 3.157 4.429 0.049 18 0 "[ . 1 . 2]" 1
1213 1 99 LEU HB3 1 100 THR H . . 4.490 4.393 3.849 4.561 0.071 15 0 "[ . 1 . 2]" 1
1214 1 99 LEU MD1 1 100 THR H . . 4.250 3.460 2.382 4.283 0.033 9 0 "[ . 1 . 2]" 1
1215 1 99 LEU HG 1 100 THR H . . 4.840 4.660 4.027 4.943 0.103 19 0 "[ . 1 . 2]" 1
1216 1 100 THR H 1 100 THR HB . . 3.980 3.057 2.244 3.778 . 0 0 "[ . 1 . 2]" 1
1217 1 100 THR H 1 100 THR MG . . 3.090 2.675 2.197 3.096 0.006 2 0 "[ . 1 . 2]" 1
1218 1 100 THR HA 1 100 THR MG . . 3.280 2.979 2.184 3.261 . 0 0 "[ . 1 . 2]" 1
1219 1 100 THR HB 1 101 ARG H . . 3.870 3.465 2.356 3.944 0.074 11 0 "[ . 1 . 2]" 1
1220 1 102 GLY H 1 103 ARG H . . 4.620 4.356 3.920 4.604 . 0 0 "[ . 1 . 2]" 1
1221 1 103 ARG H 1 103 ARG QD . . 4.840 3.706 3.099 4.312 . 0 0 "[ . 1 . 2]" 1
1222 1 103 ARG H 1 103 ARG HG2 . . 3.760 2.629 1.997 3.788 0.028 19 0 "[ . 1 . 2]" 1
1223 1 103 ARG QB 1 104 ARG H . . 5.370 3.029 2.254 3.953 . 0 0 "[ . 1 . 2]" 1
1224 1 106 ALA H 1 106 ALA MB . . 3.230 2.712 2.400 2.946 . 0 0 "[ . 1 . 2]" 1
1225 1 106 ALA H 1 107 SER H . . 5.800 4.337 3.874 4.493 . 0 0 "[ . 1 . 2]" 1
1226 1 106 ALA MB 1 107 SER H . . 3.830 2.664 2.219 3.449 . 0 0 "[ . 1 . 2]" 1
1227 1 107 SER H 1 108 VAL H . . 5.220 4.007 3.438 4.275 . 0 0 "[ . 1 . 2]" 1
1228 1 107 SER H 1 108 VAL HA . . 5.660 5.120 4.802 5.486 . 0 0 "[ . 1 . 2]" 1
1229 1 107 SER HA 1 108 VAL MG1 . . 4.350 3.804 3.559 4.067 . 0 0 "[ . 1 . 2]" 1
1230 1 107 SER QB 1 108 VAL H . . 4.690 3.799 3.561 4.086 . 0 0 "[ . 1 . 2]" 1
1231 1 108 VAL H 1 108 VAL MG1 . . 3.630 2.519 2.343 2.838 . 0 0 "[ . 1 . 2]" 1
1232 1 108 VAL H 1 109 ARG H . . 4.830 4.389 4.307 4.460 . 0 0 "[ . 1 . 2]" 1
1233 1 108 VAL HA 1 108 VAL MG2 . . 3.320 2.492 2.401 2.576 . 0 0 "[ . 1 . 2]" 1
1234 1 108 VAL MG1 1 109 ARG H . . 4.360 4.086 3.986 4.227 . 0 0 "[ . 1 . 2]" 1
1235 1 108 VAL MG2 1 109 ARG H . . 3.190 2.325 2.173 2.536 . 0 0 "[ . 1 . 2]" 1
1236 1 109 ARG H 1 109 ARG HB2 . . 3.990 3.906 3.809 3.959 . 0 0 "[ . 1 . 2]" 1
1237 1 109 ARG H 1 109 ARG HB3 . . 4.110 3.152 2.965 3.312 . 0 0 "[ . 1 . 2]" 1
1238 1 109 ARG H 1 109 ARG QD . . 4.300 3.217 1.984 4.040 . 0 0 "[ . 1 . 2]" 1
1239 1 109 ARG H 1 109 ARG HG2 . . 4.180 2.640 2.072 3.375 . 0 0 "[ . 1 . 2]" 1
1240 1 109 ARG H 1 109 ARG HG3 . . 4.470 3.921 3.517 4.373 . 0 0 "[ . 1 . 2]" 1
1241 1 109 ARG HA 1 109 ARG HG3 . . 4.210 3.983 3.794 4.219 0.009 12 0 "[ . 1 . 2]" 1
1242 1 109 ARG HA 1 110 ALA MB . . 4.380 3.971 3.830 4.067 . 0 0 "[ . 1 . 2]" 1
1243 1 109 ARG HB2 1 110 ALA H . . 4.640 2.552 2.433 2.663 . 0 0 "[ . 1 . 2]" 1
1244 1 109 ARG HB3 1 110 ALA H . . 4.140 3.884 3.709 3.988 . 0 0 "[ . 1 . 2]" 1
1245 1 109 ARG HG2 1 110 ALA H . . 4.350 4.129 3.571 4.395 0.045 15 0 "[ . 1 . 2]" 1
1246 1 109 ARG HG3 1 110 ALA H . . 4.330 3.852 3.435 4.343 0.013 1 0 "[ . 1 . 2]" 1
1247 1 110 ALA H 1 110 ALA MB . . 2.890 2.214 2.153 2.276 . 0 0 "[ . 1 . 2]" 1
1248 1 110 ALA HA 1 112 THR H . . 3.950 3.524 3.313 3.657 . 0 0 "[ . 1 . 2]" 1
1249 1 110 ALA MB 1 111 ASP H . . 3.900 3.155 2.883 3.408 . 0 0 "[ . 1 . 2]" 1
1250 1 110 ALA MB 1 112 THR H . . 3.900 2.781 2.520 3.051 . 0 0 "[ . 1 . 2]" 1
1251 1 111 ASP H 1 112 THR H . . 3.570 2.280 2.164 2.374 . 0 0 "[ . 1 . 2]" 1
1252 1 111 ASP H 1 112 THR HA . . 5.660 5.106 5.010 5.218 . 0 0 "[ . 1 . 2]" 1
1253 1 111 ASP H 1 112 THR MG . . 3.920 3.193 2.929 3.484 . 0 0 "[ . 1 . 2]" 1
1254 1 111 ASP H 1 114 CYS HB2 . . 5.250 4.582 4.095 5.242 . 0 0 "[ . 1 . 2]" 1
1255 1 111 ASP HB2 1 112 THR H . . 4.050 3.732 3.437 3.967 . 0 0 "[ . 1 . 2]" 1
1256 1 111 ASP HB2 1 112 THR MG . . 3.440 3.504 3.478 3.535 0.095 17 0 "[ . 1 . 2]" 1
1257 1 111 ASP HB3 1 112 THR H . . 3.950 3.017 2.731 3.331 . 0 0 "[ . 1 . 2]" 1
1258 1 111 ASP HB3 1 112 THR MG . . 4.340 2.284 2.017 2.936 . 0 0 "[ . 1 . 2]" 1
1259 1 112 THR H 1 112 THR MG . . 3.030 2.358 2.236 2.454 . 0 0 "[ . 1 . 2]" 1
1260 1 112 THR H 1 113 TYR H . . 5.080 4.381 4.310 4.438 . 0 0 "[ . 1 . 2]" 1
1261 1 112 THR H 1 113 TYR HA . . 5.800 4.912 4.804 5.069 . 0 0 "[ . 1 . 2]" 1
1262 1 112 THR H 1 114 CYS H . . 5.370 4.930 4.422 5.361 . 0 0 "[ . 1 . 2]" 1
1263 1 112 THR H 1 114 CYS HB2 . . 4.710 4.177 3.586 4.870 0.160 16 0 "[ . 1 . 2]" 1
1264 1 112 THR HA 1 112 THR MG . . 3.560 3.255 3.231 3.270 . 0 0 "[ . 1 . 2]" 1
1265 1 112 THR MG 1 113 TYR H . . 3.360 3.316 3.124 3.393 0.033 14 0 "[ . 1 . 2]" 1
1266 1 112 THR MG 1 114 CYS HB2 . . 4.510 3.176 2.678 3.945 . 0 0 "[ . 1 . 2]" 1
1267 1 113 TYR H 1 113 TYR HB2 . . 3.820 2.777 2.395 3.203 . 0 0 "[ . 1 . 2]" 1
1268 1 113 TYR H 1 113 TYR HB3 . . 3.800 2.241 2.104 2.432 . 0 0 "[ . 1 . 2]" 1
1269 1 113 TYR H 1 113 TYR QD . . 4.140 4.023 3.639 4.198 0.058 2 0 "[ . 1 . 2]" 1
1270 1 113 TYR H 1 114 CYS H . . 5.270 4.373 4.214 4.537 . 0 0 "[ . 1 . 2]" 1
1271 1 113 TYR HB3 1 114 CYS H . . 5.130 4.504 4.401 4.642 . 0 0 "[ . 1 . 2]" 1
1272 1 113 TYR QD 1 114 CYS H . . 4.530 3.746 2.776 4.440 . 0 0 "[ . 1 . 2]" 1
1273 1 114 CYS H 1 114 CYS HB2 . . 3.850 3.200 2.697 3.817 . 0 0 "[ . 1 . 2]" 1
1274 1 114 CYS H 1 114 CYS HB3 . . 4.180 2.782 2.638 2.930 . 0 0 "[ . 1 . 2]" 1
1275 1 114 CYS HA 1 115 ARG H . . 3.490 2.100 2.043 2.137 . 0 0 "[ . 1 . 2]" 1
1276 1 114 CYS HA 1 116 LEU QD . . 5.070 4.411 3.811 4.806 . 0 0 "[ . 1 . 2]" 1
1277 1 114 CYS HB2 1 115 ARG H . . 4.520 4.014 3.203 4.413 . 0 0 "[ . 1 . 2]" 1
1278 1 114 CYS HB2 1 116 LEU QD . . 4.900 3.741 2.465 4.551 . 0 0 "[ . 1 . 2]" 1
1279 1 114 CYS HB3 1 115 ARG H . . 4.730 4.194 4.025 4.401 . 0 0 "[ . 1 . 2]" 1
1280 1 114 CYS HB3 1 116 LEU QD . . 3.720 3.492 3.249 3.636 . 0 0 "[ . 1 . 2]" 1
1281 1 115 ARG H 1 115 ARG QG . . 4.520 3.083 2.224 3.996 . 0 0 "[ . 1 . 2]" 1
1282 1 115 ARG H 1 116 LEU QD . . 5.200 3.970 3.422 4.313 . 0 0 "[ . 1 . 2]" 1
1283 1 115 ARG HA 1 115 ARG HD2 . . 5.130 3.539 2.368 4.755 . 0 0 "[ . 1 . 2]" 1
1284 1 115 ARG HA 1 116 LEU H . . 3.520 2.055 1.961 2.163 . 0 0 "[ . 1 . 2]" 1
1285 1 115 ARG HB3 1 115 ARG HD2 . . 4.220 2.945 2.185 4.214 . 0 0 "[ . 1 . 2]" 1
1286 1 115 ARG HD2 1 116 LEU H . . 5.080 4.777 3.853 5.178 0.098 11 0 "[ . 1 . 2]" 1
1287 1 115 ARG HD3 1 116 LEU H . . 5.800 5.209 4.276 5.857 0.057 19 0 "[ . 1 . 2]" 1
1288 1 116 LEU H 1 116 LEU QD . . 3.960 3.380 3.316 3.487 . 0 0 "[ . 1 . 2]" 1
1289 1 116 LEU H 1 116 LEU HG . . 4.740 2.970 2.819 3.191 . 0 0 "[ . 1 . 2]" 1
1290 1 116 LEU HA 1 116 LEU QD . . 3.150 2.235 2.141 2.336 . 0 0 "[ . 1 . 2]" 1
1291 1 116 LEU HB3 1 117 TYR H . . 4.430 2.444 2.178 2.705 . 0 0 "[ . 1 . 2]" 1
1292 1 116 LEU QD 1 117 TYR H . . 4.390 3.480 3.307 3.642 . 0 0 "[ . 1 . 2]" 1
1293 1 117 TYR H 1 117 TYR QD . . 4.650 3.471 2.230 4.284 . 0 0 "[ . 1 . 2]" 1
1294 1 117 TYR H 1 118 SER H . . 5.140 4.495 4.407 4.655 . 0 0 "[ . 1 . 2]" 1
1295 1 117 TYR HA 1 118 SER HA . . 5.110 4.480 4.400 4.589 . 0 0 "[ . 1 . 2]" 1
1296 1 117 TYR HB2 1 118 SER H . . 5.800 3.774 2.710 4.468 . 0 0 "[ . 1 . 2]" 1
1297 1 117 TYR HB3 1 118 SER H . . 5.440 3.653 2.971 4.361 . 0 0 "[ . 1 . 2]" 1
1298 1 117 TYR QD 1 118 SER HA . . 4.930 4.452 2.856 4.996 0.066 7 0 "[ . 1 . 2]" 1
1299 1 118 SER H 1 119 LEU H . . 5.530 4.313 3.724 4.519 . 0 0 "[ . 1 . 2]" 1
1300 1 119 LEU H 1 119 LEU HG . . 4.890 4.690 4.559 4.919 0.029 20 0 "[ . 1 . 2]" 1
1301 1 119 LEU HA 1 119 LEU QD . . 3.490 2.583 2.044 2.870 . 0 0 "[ . 1 . 2]" 1
1302 1 119 LEU HA 1 119 LEU HG . . 3.760 2.587 2.385 3.448 . 0 0 "[ . 1 . 2]" 1
1303 1 119 LEU HA 1 120 SER HB3 . . 4.770 4.611 4.189 4.810 0.040 15 0 "[ . 1 . 2]" 1
1304 1 119 LEU HB2 1 120 SER H . . 4.880 4.484 4.360 4.651 . 0 0 "[ . 1 . 2]" 1
1305 1 119 LEU QD 1 120 SER H . . 3.900 2.413 2.010 2.793 . 0 0 "[ . 1 . 2]" 1
1306 1 119 LEU QD 1 123 ASN HB2 . . 4.880 3.033 2.191 4.658 . 0 0 "[ . 1 . 2]" 1
1307 1 119 LEU QD 1 124 PHE H . . 4.400 3.349 2.745 3.897 . 0 0 "[ . 1 . 2]" 1
1308 1 119 LEU HG 1 120 SER H . . 5.050 3.877 3.389 4.627 . 0 0 "[ . 1 . 2]" 1
1309 1 120 SER H 1 121 VAL H . . 4.940 4.630 4.524 4.724 . 0 0 "[ . 1 . 2]" 1
1310 1 120 SER HA 1 122 ASP H . . 4.420 3.879 3.623 4.192 . 0 0 "[ . 1 . 2]" 1
1311 1 120 SER HB2 1 121 VAL H . . 4.260 3.570 2.688 4.264 0.004 5 0 "[ . 1 . 2]" 1
1312 1 120 SER HB2 1 122 ASP H . . 4.730 3.589 2.439 4.707 . 0 0 "[ . 1 . 2]" 1
1313 1 120 SER HB3 1 121 VAL H . . 4.440 4.091 3.838 4.414 . 0 0 "[ . 1 . 2]" 1
1314 1 120 SER HB3 1 122 ASP H . . 4.710 4.183 3.081 4.772 0.062 8 0 "[ . 1 . 2]" 1
1315 1 121 VAL H 1 121 VAL HB . . 3.890 3.241 2.286 3.791 . 0 0 "[ . 1 . 2]" 1
1316 1 121 VAL H 1 121 VAL MG1 . . 2.910 2.354 1.851 2.912 0.002 8 0 "[ . 1 . 2]" 1
1317 1 121 VAL H 1 121 VAL MG2 . . 3.950 3.017 2.316 3.776 . 0 0 "[ . 1 . 2]" 1
1318 1 121 VAL H 1 122 ASP H . . 4.600 2.595 2.100 2.895 . 0 0 "[ . 1 . 2]" 1
1319 1 121 VAL H 1 122 ASP QB . . 5.400 4.672 4.406 5.057 . 0 0 "[ . 1 . 2]" 1
1320 1 121 VAL HA 1 121 VAL MG1 . . 3.050 2.741 2.360 3.176 0.126 17 0 "[ . 1 . 2]" 1
1321 1 121 VAL HA 1 121 VAL MG2 . . 3.260 2.824 2.036 3.259 . 0 0 "[ . 1 . 2]" 1
1322 1 121 VAL HA 1 124 PHE H . . 4.210 3.087 2.587 3.630 . 0 0 "[ . 1 . 2]" 1
1323 1 121 VAL HA 1 124 PHE HB2 . . 4.740 2.934 2.231 3.704 . 0 0 "[ . 1 . 2]" 1
1324 1 121 VAL HA 1 124 PHE HB3 . . 4.720 2.576 2.084 3.297 . 0 0 "[ . 1 . 2]" 1
1325 1 121 VAL HA 1 124 PHE QD . . 4.440 4.163 3.492 4.479 0.039 5 0 "[ . 1 . 2]" 1
1326 1 121 VAL HA 1 125 ASN H . . 4.480 3.906 3.435 4.493 0.013 17 0 "[ . 1 . 2]" 1
1327 1 121 VAL MG1 1 122 ASP H . . 4.090 3.315 2.099 4.113 0.023 2 0 "[ . 1 . 2]" 1
1328 1 121 VAL MG1 1 125 ASN H . . 5.560 5.040 4.333 5.539 . 0 0 "[ . 1 . 2]" 1
1329 1 121 VAL MG1 1 125 ASN HD21 . . 4.200 3.821 2.636 4.289 0.089 16 0 "[ . 1 . 2]" 1
1330 1 121 VAL MG1 1 125 ASN HD22 . . 4.590 4.141 3.294 4.637 0.047 3 0 "[ . 1 . 2]" 1
1331 1 121 VAL MG2 1 122 ASP H . . 3.670 3.106 2.364 3.760 0.090 8 0 "[ . 1 . 2]" 1
1332 1 121 VAL MG2 1 122 ASP HA . . 3.520 3.504 3.121 3.692 0.172 5 0 "[ . 1 . 2]" 1
1333 1 121 VAL MG2 1 123 ASN H . . 5.000 4.855 4.560 5.015 0.015 1 0 "[ . 1 . 2]" 1
1334 1 121 VAL MG2 1 125 ASN H . . 4.780 4.182 3.286 4.539 . 0 0 "[ . 1 . 2]" 1
1335 1 121 VAL MG2 1 125 ASN HD21 . . 3.120 2.750 2.126 3.172 0.052 8 0 "[ . 1 . 2]" 1
1336 1 121 VAL MG2 1 125 ASN HD22 . . 3.050 2.946 2.252 3.091 0.041 1 0 "[ . 1 . 2]" 1
1337 1 122 ASP H 1 122 ASP QB . . 3.590 2.458 2.218 2.751 . 0 0 "[ . 1 . 2]" 1
1338 1 122 ASP H 1 123 ASN H . . 4.060 2.746 2.579 3.014 . 0 0 "[ . 1 . 2]" 1
1339 1 122 ASP HA 1 125 ASN H . . 5.240 3.604 3.060 4.343 . 0 0 "[ . 1 . 2]" 1
1340 1 122 ASP HA 1 125 ASN HD22 . . 5.570 4.598 2.895 5.443 . 0 0 "[ . 1 . 2]" 1
1341 1 122 ASP QB 1 123 ASN H . . 4.160 2.760 2.423 2.986 . 0 0 "[ . 1 . 2]" 1
1342 1 122 ASP QB 1 123 ASN QD . . 5.230 3.991 3.121 4.764 . 0 0 "[ . 1 . 2]" 1
1343 1 122 ASP QB 1 124 PHE H . . 5.080 4.732 4.617 4.829 . 0 0 "[ . 1 . 2]" 1
1344 1 123 ASN H 1 123 ASN HB3 . . 4.150 3.495 2.672 3.698 . 0 0 "[ . 1 . 2]" 1
1345 1 123 ASN H 1 123 ASN QD . . 4.650 3.735 2.345 4.272 . 0 0 "[ . 1 . 2]" 1
1346 1 123 ASN H 1 124 PHE H . . 4.140 2.520 2.195 2.782 . 0 0 "[ . 1 . 2]" 1
1347 1 123 ASN H 1 124 PHE HB2 . . 5.400 4.694 4.084 5.104 . 0 0 "[ . 1 . 2]" 1
1348 1 123 ASN H 1 125 ASN H . . 5.200 4.195 3.943 4.509 . 0 0 "[ . 1 . 2]" 1
1349 1 123 ASN HA 1 123 ASN QD . . 3.630 2.434 2.044 3.074 . 0 0 "[ . 1 . 2]" 1
1350 1 123 ASN HA 1 126 GLU H . . 4.000 3.219 2.798 3.995 . 0 0 "[ . 1 . 2]" 1
1351 1 123 ASN HA 1 126 GLU HB2 . . 4.540 2.711 2.031 3.534 . 0 0 "[ . 1 . 2]" 1
1352 1 123 ASN HA 1 126 GLU HG2 . . 3.340 3.355 3.185 3.431 0.091 19 0 "[ . 1 . 2]" 1
1353 1 123 ASN HA 1 127 VAL H . . 4.840 4.160 3.719 4.860 0.020 3 0 "[ . 1 . 2]" 1
1354 1 123 ASN HB3 1 124 PHE H . . 5.040 3.759 2.810 4.207 . 0 0 "[ . 1 . 2]" 1
1355 1 124 PHE H 1 124 PHE HB2 . . 4.100 2.414 2.191 2.590 . 0 0 "[ . 1 . 2]" 1
1356 1 124 PHE H 1 124 PHE HB3 . . 3.660 2.567 2.247 2.819 . 0 0 "[ . 1 . 2]" 1
1357 1 124 PHE H 1 124 PHE QD . . 4.220 4.196 4.101 4.244 0.024 4 0 "[ . 1 . 2]" 1
1358 1 124 PHE H 1 125 ASN H . . 3.860 2.695 2.333 2.989 . 0 0 "[ . 1 . 2]" 1
1359 1 124 PHE H 1 126 GLU H . . 5.300 3.869 3.549 4.184 . 0 0 "[ . 1 . 2]" 1
1360 1 124 PHE H 1 127 VAL MG1 . . 4.070 4.108 4.071 4.131 0.061 13 0 "[ . 1 . 2]" 1
1361 1 124 PHE HA 1 124 PHE QD . . 3.880 3.020 2.356 3.219 . 0 0 "[ . 1 . 2]" 1
1362 1 124 PHE HA 1 126 GLU H . . 5.010 4.179 3.905 4.405 . 0 0 "[ . 1 . 2]" 1
1363 1 124 PHE HA 1 127 VAL H . . 4.740 3.627 3.394 4.029 . 0 0 "[ . 1 . 2]" 1
1364 1 124 PHE HB2 1 125 ASN H . . 4.150 3.748 3.564 3.950 . 0 0 "[ . 1 . 2]" 1
1365 1 124 PHE QD 1 125 ASN H . . 4.010 3.571 3.021 4.056 0.046 2 0 "[ . 1 . 2]" 1
1366 1 124 PHE QD 1 126 GLU H . . 5.320 5.165 4.966 5.366 0.046 16 0 "[ . 1 . 2]" 1
1367 1 124 PHE QE 1 128 LEU MD2 . . 5.160 3.464 2.393 4.777 . 0 0 "[ . 1 . 2]" 1
1368 1 124 PHE QE 1 138 PHE HZ . . 4.470 3.335 2.501 3.787 . 0 0 "[ . 1 . 2]" 1
1369 1 124 PHE HZ 1 128 LEU MD1 . . 5.670 4.543 3.148 5.676 0.006 13 0 "[ . 1 . 2]" 1
1370 1 124 PHE HZ 1 128 LEU MD2 . . 5.800 4.856 3.277 5.843 0.043 20 0 "[ . 1 . 2]" 1
1371 1 124 PHE HZ 1 138 PHE QE . . 5.210 3.029 2.449 3.635 . 0 0 "[ . 1 . 2]" 1
1372 1 124 PHE HZ 1 138 PHE HZ . . 5.800 2.481 2.264 3.232 . 0 0 "[ . 1 . 2]" 1
1373 1 125 ASN H 1 125 ASN HB2 . . 3.460 2.349 2.180 3.519 0.059 3 0 "[ . 1 . 2]" 1
1374 1 125 ASN H 1 125 ASN HB3 . . 3.740 3.487 2.591 3.601 . 0 0 "[ . 1 . 2]" 1
1375 1 125 ASN H 1 125 ASN HD21 . . 4.400 2.938 2.350 3.723 . 0 0 "[ . 1 . 2]" 1
1376 1 125 ASN H 1 125 ASN HD22 . . 4.670 4.078 3.808 4.460 . 0 0 "[ . 1 . 2]" 1
1377 1 125 ASN H 1 126 GLU H . . 3.910 2.730 2.594 2.867 . 0 0 "[ . 1 . 2]" 1
1378 1 125 ASN H 1 126 GLU HA . . 5.520 5.402 5.297 5.518 . 0 0 "[ . 1 . 2]" 1
1379 1 125 ASN H 1 128 LEU H . . 5.200 4.929 4.716 5.204 0.004 4 0 "[ . 1 . 2]" 1
1380 1 125 ASN H 1 128 LEU HB2 . . 5.800 4.981 4.440 5.349 . 0 0 "[ . 1 . 2]" 1
1381 1 125 ASN HA 1 125 ASN HD22 . . 5.500 4.478 4.079 5.406 . 0 0 "[ . 1 . 2]" 1
1382 1 125 ASN HA 1 127 VAL H . . 5.560 4.559 4.055 4.941 . 0 0 "[ . 1 . 2]" 1
1383 1 125 ASN HA 1 128 LEU HB3 . . 4.090 3.666 2.273 4.133 0.043 18 0 "[ . 1 . 2]" 1
1384 1 125 ASN HA 1 128 LEU MD1 . . 3.560 2.855 2.172 3.611 0.051 20 0 "[ . 1 . 2]" 1
1385 1 125 ASN HB2 1 126 GLU H . . 3.950 3.220 3.017 3.961 0.011 3 0 "[ . 1 . 2]" 1
1386 1 125 ASN HB2 1 126 GLU HA . . 4.950 4.921 4.656 4.979 0.029 4 0 "[ . 1 . 2]" 1
1387 1 125 ASN HB2 1 127 VAL H . . 5.720 5.592 5.345 5.760 0.040 3 0 "[ . 1 . 2]" 1
1388 1 125 ASN HB3 1 125 ASN HD22 . . 3.890 3.884 3.511 3.986 0.096 12 0 "[ . 1 . 2]" 1
1389 1 125 ASN HB3 1 126 GLU H . . 4.120 3.882 3.676 4.190 0.070 3 0 "[ . 1 . 2]" 1
1390 1 126 GLU H 1 126 GLU HB2 . . 3.630 2.447 2.084 3.218 . 0 0 "[ . 1 . 2]" 1
1391 1 126 GLU H 1 126 GLU HB3 . . 3.550 2.896 1.980 3.567 0.017 3 0 "[ . 1 . 2]" 1
1392 1 126 GLU H 1 126 GLU HG2 . . 3.910 3.298 2.553 4.066 0.156 16 0 "[ . 1 . 2]" 1
1393 1 126 GLU H 1 127 VAL H . . 3.920 2.625 2.308 2.804 . 0 0 "[ . 1 . 2]" 1
1394 1 126 GLU H 1 127 VAL HA . . 5.500 5.304 5.030 5.446 . 0 0 "[ . 1 . 2]" 1
1395 1 126 GLU H 1 127 VAL HB . . 5.250 5.174 4.919 5.282 0.032 8 0 "[ . 1 . 2]" 1
1396 1 126 GLU H 1 127 VAL MG1 . . 4.330 3.706 3.427 3.986 . 0 0 "[ . 1 . 2]" 1
1397 1 126 GLU H 1 128 LEU H . . 5.320 3.954 3.545 4.251 . 0 0 "[ . 1 . 2]" 1
1398 1 126 GLU H 1 128 LEU HB2 . . 5.400 4.758 4.181 5.408 0.008 13 0 "[ . 1 . 2]" 1
1399 1 126 GLU HA 1 126 GLU HG2 . . 3.580 3.133 2.571 3.661 0.081 16 0 "[ . 1 . 2]" 1
1400 1 126 GLU HB2 1 127 VAL H . . 4.060 3.225 2.289 4.131 0.071 13 0 "[ . 1 . 2]" 1
1401 1 126 GLU HB3 1 127 VAL H . . 4.070 3.003 2.773 3.416 . 0 0 "[ . 1 . 2]" 1
1402 1 126 GLU HB3 1 127 VAL MG1 . . 4.260 4.291 4.080 4.367 0.107 4 0 "[ . 1 . 2]" 1
1403 1 126 GLU HG2 1 127 VAL H . . 4.990 4.085 2.611 4.976 . 0 0 "[ . 1 . 2]" 1
1404 1 127 VAL H 1 127 VAL HB . . 3.630 2.712 2.522 2.918 . 0 0 "[ . 1 . 2]" 1
1405 1 127 VAL H 1 127 VAL MG1 . . 2.820 1.956 1.821 2.201 . 0 0 "[ . 1 . 2]" 1
1406 1 127 VAL H 1 127 VAL MG2 . . 4.020 3.817 3.764 3.897 . 0 0 "[ . 1 . 2]" 1
1407 1 127 VAL H 1 128 LEU H . . 3.920 2.545 2.257 2.728 . 0 0 "[ . 1 . 2]" 1
1408 1 127 VAL H 1 128 LEU HB2 . . 4.850 4.406 4.102 4.715 . 0 0 "[ . 1 . 2]" 1
1409 1 127 VAL HA 1 127 VAL MG1 . . 3.250 3.243 3.207 3.263 0.013 13 0 "[ . 1 . 2]" 1
1410 1 127 VAL HA 1 127 VAL MG2 . . 3.140 2.432 2.273 2.528 . 0 0 "[ . 1 . 2]" 1
1411 1 127 VAL HA 1 130 GLU H . . 4.690 3.430 2.609 3.847 . 0 0 "[ . 1 . 2]" 1
1412 1 127 VAL HA 1 130 GLU HG3 . . 4.130 2.907 2.185 3.646 . 0 0 "[ . 1 . 2]" 1
1413 1 127 VAL HB 1 128 LEU H . . 4.120 4.158 4.125 4.212 0.092 12 0 "[ . 1 . 2]" 1
1414 1 127 VAL MG1 1 128 LEU H . . 3.860 2.474 2.256 2.612 . 0 0 "[ . 1 . 2]" 1
1415 1 127 VAL MG2 1 128 LEU H . . 4.300 3.754 3.626 3.872 . 0 0 "[ . 1 . 2]" 1
1416 1 127 VAL MG2 1 130 GLU H . . 4.750 4.111 3.738 4.350 . 0 0 "[ . 1 . 2]" 1
1417 1 127 VAL MG2 1 130 GLU HB2 . . 4.190 3.193 2.471 3.587 . 0 0 "[ . 1 . 2]" 1
1418 1 127 VAL MG2 1 130 GLU HG2 . . 4.450 4.430 4.070 4.493 0.043 13 0 "[ . 1 . 2]" 1
1419 1 127 VAL MG2 1 130 GLU HG3 . . 3.770 3.278 2.918 3.696 . 0 0 "[ . 1 . 2]" 1
1420 1 127 VAL MG2 1 131 TYR QE . . 3.470 2.587 2.218 3.202 . 0 0 "[ . 1 . 2]" 1
1421 1 128 LEU H 1 128 LEU HB2 . . 3.850 2.213 2.026 2.380 . 0 0 "[ . 1 . 2]" 1
1422 1 128 LEU H 1 128 LEU HB3 . . 3.900 3.297 2.388 3.616 . 0 0 "[ . 1 . 2]" 1
1423 1 128 LEU H 1 128 LEU MD1 . . 4.360 3.839 3.135 4.228 . 0 0 "[ . 1 . 2]" 1
1424 1 128 LEU H 1 128 LEU MD2 . . 4.430 3.926 3.572 4.276 . 0 0 "[ . 1 . 2]" 1
1425 1 128 LEU H 1 128 LEU HG . . 5.270 3.467 2.678 4.499 . 0 0 "[ . 1 . 2]" 1
1426 1 128 LEU H 1 129 GLU H . . 3.450 2.983 2.872 3.189 . 0 0 "[ . 1 . 2]" 1
1427 1 128 LEU H 1 130 GLU H . . 4.800 4.446 4.195 4.698 . 0 0 "[ . 1 . 2]" 1
1428 1 128 LEU HA 1 128 LEU MD1 . . 3.880 3.430 1.989 3.866 . 0 0 "[ . 1 . 2]" 1
1429 1 128 LEU HA 1 128 LEU MD2 . . 3.110 2.378 1.995 3.422 0.312 5 0 "[ . 1 . 2]" 1
1430 1 128 LEU HB2 1 128 LEU MD1 . . 3.450 2.407 2.241 3.198 . 0 0 "[ . 1 . 2]" 1
1431 1 128 LEU HB2 1 129 GLU H . . 4.160 3.304 2.581 4.116 . 0 0 "[ . 1 . 2]" 1
1432 1 128 LEU HB3 1 128 LEU MD1 . . 3.670 2.516 2.249 3.303 . 0 0 "[ . 1 . 2]" 1
1433 1 128 LEU HB3 1 128 LEU MD2 . . 3.670 2.405 2.128 3.247 . 0 0 "[ . 1 . 2]" 1
1434 1 128 LEU HB3 1 129 GLU H . . 4.240 3.181 2.666 3.522 . 0 0 "[ . 1 . 2]" 1
1435 1 128 LEU HB3 1 130 GLU H . . 5.230 5.195 5.024 5.267 0.037 3 0 "[ . 1 . 2]" 1
1436 1 128 LEU MD1 1 135 ARG H . . 5.000 4.468 3.636 4.890 . 0 0 "[ . 1 . 2]" 1
1437 1 128 LEU MD1 1 135 ARG HA . . 3.410 2.710 2.066 3.281 . 0 0 "[ . 1 . 2]" 1
1438 1 128 LEU MD1 1 136 ARG H . . 5.710 5.696 5.058 5.749 0.039 7 0 "[ . 1 . 2]" 1
1439 1 128 LEU MD1 1 138 PHE HB2 . . 4.790 3.207 2.397 4.180 . 0 0 "[ . 1 . 2]" 1
1440 1 128 LEU MD1 1 138 PHE HB3 . . 5.060 3.906 2.769 4.986 . 0 0 "[ . 1 . 2]" 1
1441 1 128 LEU MD2 1 129 GLU H . . 4.660 4.551 3.183 4.715 0.055 16 0 "[ . 1 . 2]" 1
1442 1 128 LEU MD2 1 135 ARG H . . 4.770 3.323 2.600 4.533 . 0 0 "[ . 1 . 2]" 1
1443 1 128 LEU MD2 1 135 ARG HA . . 3.210 2.369 2.111 2.937 . 0 0 "[ . 1 . 2]" 1
1444 1 128 LEU MD2 1 136 ARG H . . 5.270 4.979 4.679 5.280 0.010 20 0 "[ . 1 . 2]" 1
1445 1 128 LEU MD2 1 138 PHE HB2 . . 4.630 3.594 2.395 4.643 0.013 7 0 "[ . 1 . 2]" 1
1446 1 129 GLU H 1 129 GLU HB2 . . 3.210 2.549 2.238 3.351 0.141 13 0 "[ . 1 . 2]" 1
1447 1 129 GLU H 1 129 GLU HG2 . . 3.130 2.455 1.912 3.184 0.054 14 0 "[ . 1 . 2]" 1
1448 1 129 GLU H 1 129 GLU HG3 . . 3.040 2.980 2.237 3.139 0.099 10 0 "[ . 1 . 2]" 1
1449 1 129 GLU HB2 1 129 GLU HG2 . . 2.680 2.714 2.634 2.884 0.204 1 0 "[ . 1 . 2]" 1
1450 1 129 GLU HB2 1 130 GLU H . . 4.490 3.403 2.733 4.425 . 0 0 "[ . 1 . 2]" 1
1451 1 130 GLU H 1 130 GLU HB2 . . 3.670 2.282 2.171 2.362 . 0 0 "[ . 1 . 2]" 1
1452 1 130 GLU H 1 130 GLU HB3 . . 3.560 3.518 3.421 3.576 0.016 16 0 "[ . 1 . 2]" 1
1453 1 130 GLU H 1 130 GLU HG2 . . 3.090 2.535 1.976 3.035 . 0 0 "[ . 1 . 2]" 1
1454 1 130 GLU H 1 130 GLU HG3 . . 3.180 3.220 3.027 3.302 0.122 6 0 "[ . 1 . 2]" 1
1455 1 130 GLU H 1 131 TYR H . . 3.160 2.441 2.281 2.589 . 0 0 "[ . 1 . 2]" 1
1456 1 130 GLU H 1 131 TYR HA . . 5.240 5.207 5.090 5.261 0.021 10 0 "[ . 1 . 2]" 1
1457 1 130 GLU H 1 131 TYR QE . . 4.610 4.611 4.446 4.668 0.058 2 0 "[ . 1 . 2]" 1
1458 1 130 GLU HA 1 130 GLU HG2 . . 3.400 2.700 2.471 3.156 . 0 0 "[ . 1 . 2]" 1
1459 1 130 GLU HA 1 130 GLU HG3 . . 3.630 3.692 3.655 3.720 0.090 14 0 "[ . 1 . 2]" 1
1460 1 130 GLU HA 1 132 PRO HD2 . . 4.750 4.767 4.750 4.791 0.041 13 0 "[ . 1 . 2]" 1
1461 1 130 GLU HB3 1 130 GLU HG3 . . 2.740 2.667 2.463 2.816 0.076 16 0 "[ . 1 . 2]" 1
1462 1 130 GLU HB3 1 131 TYR H . . 3.890 3.930 3.897 3.963 0.073 13 0 "[ . 1 . 2]" 1
1463 1 131 TYR H 1 131 TYR HB2 . . 4.180 2.704 2.604 2.852 . 0 0 "[ . 1 . 2]" 1
1464 1 131 TYR H 1 131 TYR HB3 . . 4.130 3.815 3.759 3.897 . 0 0 "[ . 1 . 2]" 1
1465 1 131 TYR H 1 132 PRO HA . . 5.190 4.277 3.745 4.610 . 0 0 "[ . 1 . 2]" 1
1466 1 131 TYR H 1 132 PRO QB . . 5.260 5.063 4.584 5.298 0.038 13 0 "[ . 1 . 2]" 1
1467 1 131 TYR H 1 132 PRO HD2 . . 4.280 3.960 3.793 4.062 . 0 0 "[ . 1 . 2]" 1
1468 1 131 TYR H 1 132 PRO HD3 . . 4.260 3.364 3.054 3.576 . 0 0 "[ . 1 . 2]" 1
1469 1 131 TYR HA 1 131 TYR QD . . 4.280 3.001 2.816 3.164 . 0 0 "[ . 1 . 2]" 1
1470 1 131 TYR HA 1 132 PRO HA . . 4.820 4.673 4.628 4.719 . 0 0 "[ . 1 . 2]" 1
1471 1 131 TYR HA 1 132 PRO HD2 . . 3.870 2.182 2.092 2.300 . 0 0 "[ . 1 . 2]" 1
1472 1 131 TYR HA 1 132 PRO HD3 . . 3.820 3.165 3.044 3.258 . 0 0 "[ . 1 . 2]" 1
1473 1 131 TYR HA 1 133 MET H . . 4.790 3.754 3.528 3.944 . 0 0 "[ . 1 . 2]" 1
1474 1 131 TYR HA 1 134 MET H . . 5.800 4.448 4.103 4.768 . 0 0 "[ . 1 . 2]" 1
1475 1 131 TYR HB2 1 134 MET H . . 5.050 3.807 3.566 4.031 . 0 0 "[ . 1 . 2]" 1
1476 1 131 TYR HB3 1 134 MET QB . . 4.440 3.194 2.415 4.126 . 0 0 "[ . 1 . 2]" 1
1477 1 131 TYR QD 1 132 PRO HD2 . . 5.420 4.754 4.534 4.984 . 0 0 "[ . 1 . 2]" 1
1478 1 131 TYR QD 1 132 PRO HD3 . . 5.490 5.347 5.164 5.459 . 0 0 "[ . 1 . 2]" 1
1479 1 131 TYR QD 1 133 MET H . . 5.650 5.428 5.075 5.687 0.037 3 0 "[ . 1 . 2]" 1
1480 1 132 PRO HA 1 135 ARG H . . 4.030 3.028 2.728 3.510 . 0 0 "[ . 1 . 2]" 1
1481 1 132 PRO HA 1 135 ARG HB3 . . 3.470 2.684 2.152 3.496 0.026 2 0 "[ . 1 . 2]" 1
1482 1 132 PRO QB 1 134 MET H . . 5.270 5.043 4.836 5.292 0.022 8 0 "[ . 1 . 2]" 1
1483 1 132 PRO HD2 1 133 MET H . . 4.790 3.502 3.253 3.827 . 0 0 "[ . 1 . 2]" 1
1484 1 132 PRO HD3 1 133 MET H . . 5.080 4.375 4.232 4.581 . 0 0 "[ . 1 . 2]" 1
1485 1 132 PRO HG2 1 133 MET H . . 3.870 3.039 2.766 3.362 . 0 0 "[ . 1 . 2]" 1
1486 1 133 MET H 1 133 MET HB2 . . 3.950 3.112 2.505 3.746 . 0 0 "[ . 1 . 2]" 1
1487 1 133 MET H 1 133 MET HB3 . . 3.950 2.455 2.345 2.890 . 0 0 "[ . 1 . 2]" 1
1488 1 133 MET H 1 133 MET ME . . 4.240 4.251 4.182 4.287 0.047 4 0 "[ . 1 . 2]" 1
1489 1 133 MET H 1 133 MET HG2 . . 4.510 3.341 2.038 4.439 . 0 0 "[ . 1 . 2]" 1
1490 1 133 MET H 1 133 MET HG3 . . 4.630 4.007 2.844 4.581 . 0 0 "[ . 1 . 2]" 1
1491 1 133 MET H 1 134 MET H . . 4.270 2.631 2.356 2.803 . 0 0 "[ . 1 . 2]" 1
1492 1 133 MET H 1 134 MET QB . . 5.620 4.589 4.153 4.795 . 0 0 "[ . 1 . 2]" 1
1493 1 133 MET H 1 135 ARG H . . 5.780 4.097 3.902 4.515 . 0 0 "[ . 1 . 2]" 1
1494 1 133 MET H 1 136 ARG H . . 5.800 5.124 4.723 5.725 . 0 0 "[ . 1 . 2]" 1
1495 1 133 MET HA 1 133 MET HG2 . . 3.610 3.362 2.954 3.726 0.116 19 0 "[ . 1 . 2]" 1
1496 1 133 MET HA 1 133 MET HG3 . . 4.240 3.183 2.679 3.670 . 0 0 "[ . 1 . 2]" 1
1497 1 133 MET HB2 1 134 MET H . . 4.260 4.014 3.870 4.275 0.015 11 0 "[ . 1 . 2]" 1
1498 1 133 MET HB3 1 133 MET HG2 . . 2.970 2.538 2.338 2.594 . 0 0 "[ . 1 . 2]" 1
1499 1 133 MET HB3 1 134 MET H . . 4.940 3.294 2.462 4.214 . 0 0 "[ . 1 . 2]" 1
1500 1 133 MET ME 1 133 MET HG2 . . 2.810 2.376 2.155 2.854 0.044 17 0 "[ . 1 . 2]" 1
1501 1 133 MET ME 1 133 MET HG3 . . 3.360 2.757 1.976 3.383 0.023 6 0 "[ . 1 . 2]" 1
1502 1 133 MET ME 1 134 MET QB . . 3.860 3.749 2.545 3.902 0.042 3 0 "[ . 1 . 2]" 1
1503 1 133 MET ME 1 134 MET QG . . 2.880 2.307 2.024 3.873 0.993 4 2 "[ +. 1 - . 2]" 1
1504 1 133 MET ME 1 137 ALA MB . . 4.210 4.219 4.069 4.256 0.046 4 0 "[ . 1 . 2]" 1
1505 1 133 MET HG2 1 134 MET H . . 4.680 3.054 2.231 3.775 . 0 0 "[ . 1 . 2]" 1
1506 1 133 MET HG2 1 134 MET QB . . 4.920 4.423 2.799 4.972 0.052 13 0 "[ . 1 . 2]" 1
1507 1 133 MET HG2 1 134 MET QG . . 4.770 3.464 2.446 4.827 0.057 12 0 "[ . 1 . 2]" 1
1508 1 133 MET HG3 1 134 MET H . . 5.530 3.759 2.286 4.904 . 0 0 "[ . 1 . 2]" 1
1509 1 134 MET H 1 134 MET QG . . 4.190 2.678 2.227 4.049 . 0 0 "[ . 1 . 2]" 1
1510 1 134 MET H 1 137 ALA MB . . 5.280 4.509 4.304 4.974 . 0 0 "[ . 1 . 2]" 1
1511 1 134 MET HA 1 137 ALA H . . 3.880 3.251 2.776 3.515 . 0 0 "[ . 1 . 2]" 1
1512 1 134 MET HA 1 137 ALA MB . . 2.960 2.241 1.978 2.707 . 0 0 "[ . 1 . 2]" 1
1513 1 134 MET QB 1 134 MET QG . . 2.480 2.000 1.948 2.020 . 0 0 "[ . 1 . 2]" 1
1514 1 134 MET ME 1 137 ALA MB . . 2.650 2.433 2.073 2.657 0.007 1 0 "[ . 1 . 2]" 1
1515 1 134 MET ME 1 138 PHE QD . . 3.020 3.953 2.980 4.839 1.819 4 15 "[ **+*- **** **** **2]" 1
1516 1 135 ARG H 1 135 ARG HB2 . . 3.980 2.430 2.109 2.803 . 0 0 "[ . 1 . 2]" 1
1517 1 135 ARG H 1 136 ARG HA . . 5.800 5.497 5.365 5.609 . 0 0 "[ . 1 . 2]" 1
1518 1 135 ARG H 1 137 ALA MB . . 5.390 4.616 4.428 4.856 . 0 0 "[ . 1 . 2]" 1
1519 1 135 ARG HA 1 135 ARG QD . . 4.210 2.962 2.255 3.773 . 0 0 "[ . 1 . 2]" 1
1520 1 135 ARG HA 1 135 ARG HG2 . . 3.870 2.807 2.250 3.912 0.042 14 0 "[ . 1 . 2]" 1
1521 1 135 ARG HA 1 137 ALA H . . 5.530 4.572 4.339 4.883 . 0 0 "[ . 1 . 2]" 1
1522 1 135 ARG HA 1 138 PHE H . . 4.180 3.714 3.377 4.181 0.001 11 0 "[ . 1 . 2]" 1
1523 1 135 ARG HA 1 138 PHE HB2 . . 4.680 3.312 2.696 3.896 . 0 0 "[ . 1 . 2]" 1
1524 1 135 ARG HB2 1 136 ARG H . . 3.900 3.763 3.428 3.930 0.030 14 0 "[ . 1 . 2]" 1
1525 1 135 ARG QD 1 135 ARG HG2 . . 2.410 2.355 2.171 2.506 0.096 17 0 "[ . 1 . 2]" 1
1526 1 135 ARG QD 1 136 ARG H . . 4.260 3.668 2.864 4.039 . 0 0 "[ . 1 . 2]" 1
1527 1 135 ARG QD 1 136 ARG HA . . 3.660 3.476 2.855 3.741 0.081 7 0 "[ . 1 . 2]" 1
1528 1 135 ARG QD 1 139 GLU HG3 . . 4.440 3.327 2.351 4.466 0.026 11 0 "[ . 1 . 2]" 1
1529 1 135 ARG HG3 1 136 ARG H . . 5.100 4.396 2.700 5.111 0.011 1 0 "[ . 1 . 2]" 1
1530 1 136 ARG H 1 136 ARG QB . . 3.110 2.471 2.111 2.723 . 0 0 "[ . 1 . 2]" 1
1531 1 136 ARG H 1 136 ARG QD . . 4.450 4.156 3.487 4.489 0.039 3 0 "[ . 1 . 2]" 1
1532 1 136 ARG H 1 136 ARG QG . . 3.960 2.915 2.115 3.995 0.035 19 0 "[ . 1 . 2]" 1
1533 1 136 ARG H 1 137 ALA H . . 3.690 2.779 2.707 2.937 . 0 0 "[ . 1 . 2]" 1
1534 1 136 ARG H 1 137 ALA MB . . 4.590 4.363 4.205 4.501 . 0 0 "[ . 1 . 2]" 1
1535 1 136 ARG HA 1 136 ARG QG . . 3.740 3.054 2.190 3.558 . 0 0 "[ . 1 . 2]" 1
1536 1 136 ARG QB 1 136 ARG QD . . 2.650 2.365 2.070 2.905 0.255 13 0 "[ . 1 . 2]" 1
1537 1 136 ARG QB 1 136 ARG QG . . 2.400 2.071 1.978 2.124 . 0 0 "[ . 1 . 2]" 1
1538 1 136 ARG QB 1 137 ALA H . . 3.450 3.109 2.408 3.535 0.085 13 0 "[ . 1 . 2]" 1
1539 1 136 ARG QB 1 137 ALA HA . . 4.440 4.391 4.128 4.466 0.026 12 0 "[ . 1 . 2]" 1
1540 1 136 ARG QB 1 139 GLU HG2 . . 4.980 4.523 3.754 5.008 0.028 20 0 "[ . 1 . 2]" 1
1541 1 136 ARG QB 1 140 THR H . . 5.800 4.961 4.380 5.405 . 0 0 "[ . 1 . 2]" 1
1542 1 136 ARG QD 1 137 ALA H . . 4.270 3.662 2.176 4.327 0.057 5 0 "[ . 1 . 2]" 1
1543 1 136 ARG QD 1 137 ALA MB . . 4.030 4.207 2.590 5.061 1.031 8 12 "[** -* + *** * ** *]" 1
1544 1 136 ARG QD 1 140 THR MG . . 3.660 4.473 2.865 5.461 1.801 18 13 "[** ** * ***- * *+ *]" 1
1545 1 136 ARG QG 1 137 ALA H . . 4.090 3.006 2.188 4.166 0.076 7 0 "[ . 1 . 2]" 1
1546 1 137 ALA H 1 137 ALA MB . . 2.650 2.204 2.159 2.242 . 0 0 "[ . 1 . 2]" 1
1547 1 137 ALA H 1 138 PHE H . . 3.830 2.914 2.741 3.057 . 0 0 "[ . 1 . 2]" 1
1548 1 137 ALA H 1 138 PHE HB2 . . 5.190 4.961 4.734 5.194 0.004 8 0 "[ . 1 . 2]" 1
1549 1 137 ALA H 1 138 PHE QD . . 5.690 4.911 4.304 5.392 . 0 0 "[ . 1 . 2]" 1
1550 1 137 ALA H 1 139 GLU HG2 . . 5.480 5.281 4.675 5.544 0.064 5 0 "[ . 1 . 2]" 1
1551 1 137 ALA H 1 140 THR MG . . 4.360 4.336 4.092 4.395 0.035 4 0 "[ . 1 . 2]" 1
1552 1 137 ALA HA 1 140 THR H . . 4.700 4.004 3.787 4.410 . 0 0 "[ . 1 . 2]" 1
1553 1 137 ALA HA 1 140 THR MG . . 3.330 2.371 2.127 2.628 . 0 0 "[ . 1 . 2]" 1
1554 1 137 ALA HA 1 141 VAL H . . 5.190 4.937 4.452 5.205 0.015 19 0 "[ . 1 . 2]" 1
1555 1 137 ALA MB 1 138 PHE H . . 3.030 2.861 2.722 3.018 . 0 0 "[ . 1 . 2]" 1
1556 1 137 ALA MB 1 138 PHE HB2 . . 4.350 4.364 4.277 4.386 0.036 12 0 "[ . 1 . 2]" 1
1557 1 137 ALA MB 1 139 GLU H . . 5.800 4.761 4.495 4.953 . 0 0 "[ . 1 . 2]" 1
1558 1 138 PHE H 1 138 PHE HB2 . . 3.840 2.253 2.170 2.356 . 0 0 "[ . 1 . 2]" 1
1559 1 138 PHE H 1 138 PHE HB3 . . 3.860 3.528 3.319 3.633 . 0 0 "[ . 1 . 2]" 1
1560 1 138 PHE H 1 138 PHE QD . . 4.280 3.045 2.622 3.451 . 0 0 "[ . 1 . 2]" 1
1561 1 138 PHE H 1 140 THR H . . 5.520 3.988 3.768 4.167 . 0 0 "[ . 1 . 2]" 1
1562 1 138 PHE H 1 141 VAL H . . 5.540 5.131 4.874 5.385 . 0 0 "[ . 1 . 2]" 1
1563 1 138 PHE HA 1 138 PHE QD . . 3.420 2.690 2.195 3.081 . 0 0 "[ . 1 . 2]" 1
1564 1 138 PHE HA 1 141 VAL H . . 4.480 3.599 3.372 3.955 . 0 0 "[ . 1 . 2]" 1
1565 1 138 PHE HA 1 141 VAL HB . . 4.190 4.252 4.223 4.282 0.092 8 0 "[ . 1 . 2]" 1
1566 1 138 PHE HA 1 141 VAL MG1 . . 3.080 2.011 1.939 2.075 . 0 0 "[ . 1 . 2]" 1
1567 1 138 PHE HB2 1 139 GLU H . . 4.570 3.044 2.651 3.457 . 0 0 "[ . 1 . 2]" 1
1568 1 138 PHE HB3 1 139 GLU H . . 4.520 3.600 3.064 4.019 . 0 0 "[ . 1 . 2]" 1
1569 1 138 PHE HB3 1 140 THR H . . 5.580 5.381 5.065 5.606 0.026 9 0 "[ . 1 . 2]" 1
1570 1 138 PHE HB3 1 141 VAL MG1 . . 3.990 3.757 3.496 3.998 0.008 11 0 "[ . 1 . 2]" 1
1571 1 138 PHE QD 1 139 GLU H . . 5.120 4.659 4.458 4.806 . 0 0 "[ . 1 . 2]" 1
1572 1 138 PHE QD 1 139 GLU HG2 . . 5.800 5.806 5.624 5.893 0.093 11 0 "[ . 1 . 2]" 1
1573 1 138 PHE QD 1 141 VAL MG1 . . 3.910 3.159 2.656 3.917 0.007 3 0 "[ . 1 . 2]" 1
1574 1 139 GLU H 1 139 GLU HB2 . . 3.690 2.901 2.314 3.698 0.008 19 0 "[ . 1 . 2]" 1
1575 1 139 GLU H 1 139 GLU HB3 . . 4.140 3.344 2.623 3.662 . 0 0 "[ . 1 . 2]" 1
1576 1 139 GLU H 1 139 GLU HG2 . . 3.630 2.194 1.757 2.550 . 0 0 "[ . 1 . 2]" 1
1577 1 139 GLU H 1 139 GLU HG3 . . 4.190 3.385 2.770 3.767 . 0 0 "[ . 1 . 2]" 1
1578 1 139 GLU H 1 140 THR H . . 4.270 2.655 2.283 2.866 . 0 0 "[ . 1 . 2]" 1
1579 1 139 GLU HA 1 139 GLU HG2 . . 3.560 3.235 2.784 3.640 0.080 19 0 "[ . 1 . 2]" 1
1580 1 139 GLU HB2 1 140 THR H . . 4.350 3.300 2.620 4.268 . 0 0 "[ . 1 . 2]" 1
1581 1 139 GLU HB3 1 140 THR H . . 4.240 3.979 3.527 4.314 0.074 14 0 "[ . 1 . 2]" 1
1582 1 139 GLU HG2 1 140 THR H . . 4.630 4.099 2.940 4.634 0.004 3 0 "[ . 1 . 2]" 1
1583 1 139 GLU HG3 1 140 THR H . . 5.660 4.315 2.312 5.436 . 0 0 "[ . 1 . 2]" 1
1584 1 140 THR H 1 140 THR HB . . 3.550 2.568 2.175 2.903 . 0 0 "[ . 1 . 2]" 1
1585 1 140 THR H 1 140 THR MG . . 3.160 2.096 1.933 2.452 . 0 0 "[ . 1 . 2]" 1
1586 1 140 THR H 1 141 VAL H . . 3.880 2.550 2.420 2.690 . 0 0 "[ . 1 . 2]" 1
1587 1 140 THR H 1 141 VAL MG1 . . 3.500 3.512 3.344 3.540 0.040 12 0 "[ . 1 . 2]" 1
1588 1 140 THR H 1 142 ALA H . . 5.800 3.983 3.675 4.344 . 0 0 "[ . 1 . 2]" 1
1589 1 140 THR H 1 142 ALA MB . . 5.270 4.579 4.096 5.026 . 0 0 "[ . 1 . 2]" 1
1590 1 140 THR HA 1 140 THR HB . . 2.990 2.450 2.319 2.593 . 0 0 "[ . 1 . 2]" 1
1591 1 140 THR HA 1 140 THR MG . . 3.190 3.228 3.207 3.238 0.048 3 0 "[ . 1 . 2]" 1
1592 1 140 THR HA 1 143 ILE MG . . 4.230 3.288 2.289 4.237 0.007 7 0 "[ . 1 . 2]" 1
1593 1 140 THR HB 1 141 VAL H . . 4.040 4.004 3.845 4.085 0.045 2 0 "[ . 1 . 2]" 1
1594 1 140 THR MG 1 141 VAL H . . 4.530 2.308 1.940 2.691 . 0 0 "[ . 1 . 2]" 1
1595 1 140 THR MG 1 141 VAL HA . . 4.040 3.637 3.304 3.815 . 0 0 "[ . 1 . 2]" 1
1596 1 140 THR MG 1 141 VAL MG1 . . 2.930 2.955 2.934 2.969 0.039 18 0 "[ . 1 . 2]" 1
1597 1 140 THR MG 1 142 ALA H . . 5.470 4.324 4.131 4.526 . 0 0 "[ . 1 . 2]" 1
1598 1 141 VAL H 1 141 VAL HB . . 3.350 2.727 2.455 2.974 . 0 0 "[ . 1 . 2]" 1
1599 1 141 VAL H 1 141 VAL MG1 . . 2.780 1.897 1.829 2.005 . 0 0 "[ . 1 . 2]" 1
1600 1 141 VAL H 1 141 VAL MG2 . . 3.900 3.822 3.763 3.880 . 0 0 "[ . 1 . 2]" 1
1601 1 141 VAL H 1 142 ALA H . . 3.960 2.392 2.116 2.731 . 0 0 "[ . 1 . 2]" 1
1602 1 141 VAL H 1 142 ALA MB . . 5.540 4.014 3.728 4.332 . 0 0 "[ . 1 . 2]" 1
1603 1 141 VAL H 1 143 ILE H . . 4.270 4.160 3.596 4.304 0.034 14 0 "[ . 1 . 2]" 1
1604 1 141 VAL HA 1 141 VAL MG1 . . 3.210 3.230 3.222 3.240 0.030 7 0 "[ . 1 . 2]" 1
1605 1 141 VAL HA 1 141 VAL MG2 . . 2.580 2.383 2.312 2.469 . 0 0 "[ . 1 . 2]" 1
1606 1 141 VAL HA 1 142 ALA H . . 3.540 3.531 3.476 3.564 0.024 11 0 "[ . 1 . 2]" 1
1607 1 141 VAL HA 1 144 ASP QB . . 3.730 2.773 2.057 3.736 0.006 11 0 "[ . 1 . 2]" 1
1608 1 141 VAL HA 1 145 ARG H . . 4.620 3.677 2.926 4.453 . 0 0 "[ . 1 . 2]" 1
1609 1 141 VAL HB 1 142 ALA H . . 3.960 4.009 3.976 4.034 0.074 9 0 "[ . 1 . 2]" 1
1610 1 141 VAL HB 1 145 ARG QD . . 4.950 4.918 4.733 5.014 0.064 13 0 "[ . 1 . 2]" 1
1611 1 141 VAL MG1 1 142 ALA H . . 4.160 2.264 2.138 2.390 . 0 0 "[ . 1 . 2]" 1
1612 1 141 VAL MG2 1 142 ALA H . . 3.890 3.676 3.460 3.834 . 0 0 "[ . 1 . 2]" 1
1613 1 141 VAL MG2 1 142 ALA HA . . 4.390 3.858 3.556 4.171 . 0 0 "[ . 1 . 2]" 1
1614 1 141 VAL MG2 1 145 ARG HB2 . . 3.190 2.810 2.192 3.255 0.065 16 0 "[ . 1 . 2]" 1
1615 1 141 VAL MG2 1 145 ARG QD . . 2.850 2.216 2.064 2.438 . 0 0 "[ . 1 . 2]" 1
1616 1 142 ALA H 1 142 ALA MB . . 2.600 2.201 2.178 2.228 . 0 0 "[ . 1 . 2]" 1
1617 1 142 ALA H 1 143 ILE H . . 3.400 2.967 2.779 3.112 . 0 0 "[ . 1 . 2]" 1
1618 1 142 ALA HA 1 145 ARG QD . . 4.210 3.543 2.266 4.242 0.032 20 0 "[ . 1 . 2]" 1
1619 1 142 ALA MB 1 143 ILE H . . 4.000 2.898 2.484 3.460 . 0 0 "[ . 1 . 2]" 1
1620 1 142 ALA MB 1 145 ARG QD . . 4.010 4.591 3.439 5.355 1.345 4 12 "[** +.* * 1* *-* ** *]" 1
1621 1 143 ILE H 1 143 ILE MG . . 2.780 2.205 2.010 2.493 . 0 0 "[ . 1 . 2]" 1
1622 1 143 ILE HA 1 143 ILE MD . . 3.630 3.493 2.126 3.657 0.027 6 0 "[ . 1 . 2]" 1
1623 1 143 ILE HA 1 143 ILE QG . . 3.600 2.712 2.193 3.575 . 0 0 "[ . 1 . 2]" 1
1624 1 143 ILE HB 1 143 ILE MD . . 2.970 2.404 2.317 3.135 0.165 7 0 "[ . 1 . 2]" 1
1625 1 144 ASP HA 1 146 LEU H . . 4.390 4.026 3.402 4.374 . 0 0 "[ . 1 . 2]" 1
1626 1 144 ASP QB 1 145 ARG H . . 3.920 2.762 2.390 3.140 . 0 0 "[ . 1 . 2]" 1
1627 1 145 ARG H 1 145 ARG HB2 . . 3.310 2.741 2.125 3.418 0.108 1 0 "[ . 1 . 2]" 1
1628 1 145 ARG QD 1 146 LEU H . . 5.080 4.935 4.355 5.133 0.053 5 0 "[ . 1 . 2]" 1
1629 1 146 LEU H 1 146 LEU QB . . 3.320 2.257 2.100 2.656 . 0 0 "[ . 1 . 2]" 1
1630 1 146 LEU H 1 147 ASP H . . 3.860 2.665 2.002 3.275 . 0 0 "[ . 1 . 2]" 1
1631 1 146 LEU HA 1 146 LEU QD . . 2.640 2.530 2.040 3.405 0.765 13 3 "[ .- 1 + * 2]" 1
1632 1 146 LEU QB 1 147 ASP H . . 4.150 2.832 2.093 3.870 . 0 0 "[ . 1 . 2]" 1
1633 1 146 LEU QB 1 147 ASP HA . . 5.290 4.508 3.990 4.862 . 0 0 "[ . 1 . 2]" 1
1634 1 146 LEU MD2 1 147 ASP H . . 4.210 3.848 2.352 4.302 0.092 14 0 "[ . 1 . 2]" 1
1635 1 147 ASP H 1 147 ASP QB . . 2.860 2.553 2.107 2.910 0.050 3 0 "[ . 1 . 2]" 1
1636 1 147 ASP HA 1 147 ASP QB . . 2.470 2.409 2.267 2.478 0.008 4 0 "[ . 1 . 2]" 1
1637 1 147 ASP HA 1 148 ARG H . . 3.260 2.541 2.096 3.266 0.006 8 0 "[ . 1 . 2]" 1
1638 1 147 ASP QB 1 148 ARG H . . 3.510 3.123 2.240 3.565 0.055 10 0 "[ . 1 . 2]" 1
1639 1 147 ASP QB 1 148 ARG QB . . 4.950 4.813 4.426 5.023 0.073 13 0 "[ . 1 . 2]" 1
1640 1 147 ASP QB 1 149 ILE HB . . 5.800 5.276 4.237 5.896 0.096 1 0 "[ . 1 . 2]" 1
1641 1 147 ASP QB 1 149 ILE HG13 . . 4.840 4.094 2.382 4.859 0.019 7 0 "[ . 1 . 2]" 1
1642 1 148 ARG H 1 148 ARG HB2 . . 3.550 2.831 2.219 3.586 0.036 4 0 "[ . 1 . 2]" 1
1643 1 148 ARG H 1 148 ARG QB . . 3.440 2.415 2.198 2.626 . 0 0 "[ . 1 . 2]" 1
1644 1 148 ARG H 1 148 ARG QD . . 3.640 3.328 1.948 3.737 0.097 8 0 "[ . 1 . 2]" 1
1645 1 148 ARG H 1 148 ARG QG . . 3.220 2.339 1.881 3.234 0.014 9 0 "[ . 1 . 2]" 1
1646 1 148 ARG QB 1 148 ARG QD . . 2.470 2.337 2.095 2.887 0.417 7 0 "[ . 1 . 2]" 1
1647 1 149 ILE H 1 149 ILE HG12 . . 3.150 2.936 2.136 3.369 0.219 5 0 "[ . 1 . 2]" 1
1648 1 149 ILE H 1 149 ILE HG13 . . 5.090 3.355 1.754 4.458 . 0 0 "[ . 1 . 2]" 1
1649 1 149 ILE H 1 149 ILE MG . . 4.000 3.639 2.333 4.022 0.022 17 0 "[ . 1 . 2]" 1
1650 1 149 ILE H 1 150 GLY H . . 4.340 3.865 2.549 4.442 0.102 19 0 "[ . 1 . 2]" 1
1651 1 149 ILE HA 1 149 ILE HG12 . . 3.670 3.446 2.784 3.937 0.267 8 0 "[ . 1 . 2]" 1
1652 1 149 ILE HA 1 149 ILE MG . . 2.650 2.305 2.074 2.622 . 0 0 "[ . 1 . 2]" 1
1653 1 149 ILE HB 1 149 ILE MD . . 3.210 2.926 2.180 3.264 0.054 14 0 "[ . 1 . 2]" 1
1654 1 149 ILE HB 1 149 ILE HG13 . . 3.000 2.631 2.308 3.037 0.037 8 0 "[ . 1 . 2]" 1
1655 1 149 ILE HB 1 150 GLY H . . 4.270 3.428 1.849 4.354 0.084 1 0 "[ . 1 . 2]" 1
1656 1 149 ILE HB 1 151 LYS QD . . 3.410 3.154 2.258 3.490 0.080 15 0 "[ . 1 . 2]" 1
1657 1 149 ILE HG12 1 150 GLY H . . 5.590 4.778 4.091 5.609 0.019 1 0 "[ . 1 . 2]" 1
1658 1 149 ILE HG13 1 149 ILE MG . . 2.400 2.340 2.135 2.521 0.121 1 0 "[ . 1 . 2]" 1
1659 1 149 ILE HG13 1 150 GLY H . . 5.130 4.803 3.262 5.283 0.153 2 0 "[ . 1 . 2]" 1
1660 1 149 ILE MG 1 150 GLY H . . 4.190 3.123 1.977 4.236 0.046 8 0 "[ . 1 . 2]" 1
1661 1 150 GLY H 1 151 LYS H . . 4.990 3.056 1.965 4.604 . 0 0 "[ . 1 . 2]" 1
1662 1 150 GLY H 1 151 LYS HA . . 5.300 5.096 4.225 5.387 0.087 2 0 "[ . 1 . 2]" 1
1663 1 151 LYS H 1 151 LYS QE . . 5.500 4.376 2.906 5.252 . 0 0 "[ . 1 . 2]" 1
1664 1 151 LYS H 1 151 LYS QG . . 4.180 2.803 1.968 4.099 . 0 0 "[ . 1 . 2]" 1
1665 1 151 LYS HA 1 151 LYS HB2 . . 2.910 2.719 2.275 2.992 0.082 6 0 "[ . 1 . 2]" 1
1666 1 151 LYS HA 1 151 LYS QG . . 3.580 2.961 2.263 3.523 . 0 0 "[ . 1 . 2]" 1
1667 1 151 LYS HB2 1 151 LYS QG . . 2.640 2.313 2.132 2.492 . 0 0 "[ . 1 . 2]" 1
1668 1 151 LYS HB3 1 151 LYS QE . . 3.550 2.538 2.019 3.597 0.047 11 0 "[ . 1 . 2]" 1
1669 1 151 LYS HB3 1 151 LYS QG . . 2.460 2.335 2.130 2.469 0.009 17 0 "[ . 1 . 2]" 1
1670 1 154 SER HA 1 154 SER QB . . 2.700 2.273 2.153 2.424 . 0 0 "[ . 1 . 2]" 1
1671 1 154 SER HA 1 155 ILE MG . . 3.730 3.628 2.904 3.773 0.043 7 0 "[ . 1 . 2]" 1
1672 1 154 SER QB 1 155 ILE H . . 4.700 2.355 1.749 3.432 . 0 0 "[ . 1 . 2]" 1
1673 1 154 SER QB 1 155 ILE HG12 . . 3.520 3.128 2.520 3.543 0.023 7 0 "[ . 1 . 2]" 1
1674 1 154 SER QB 1 155 ILE MG . . 3.450 3.040 2.218 3.496 0.046 17 0 "[ . 1 . 2]" 1
1675 1 155 ILE H 1 155 ILE HB . . 3.970 3.722 3.567 3.905 . 0 0 "[ . 1 . 2]" 1
1676 1 155 ILE H 1 155 ILE MD . . 4.950 3.889 3.603 4.747 . 0 0 "[ . 1 . 2]" 1
1677 1 155 ILE H 1 155 ILE HG12 . . 4.400 2.370 2.012 3.790 . 0 0 "[ . 1 . 2]" 1
1678 1 155 ILE H 1 155 ILE HG13 . . 4.620 3.289 2.959 4.373 . 0 0 "[ . 1 . 2]" 1
1679 1 155 ILE HA 1 155 ILE MG . . 2.640 2.308 2.258 2.347 . 0 0 "[ . 1 . 2]" 1
1680 1 155 ILE HB 1 156 LEU H . . 4.290 2.512 2.074 2.728 . 0 0 "[ . 1 . 2]" 1
1681 1 155 ILE HG12 1 156 LEU H . . 4.850 4.779 4.453 4.870 0.020 1 0 "[ . 1 . 2]" 1
1682 1 155 ILE HG13 1 156 LEU H . . 4.890 3.777 3.282 3.988 . 0 0 "[ . 1 . 2]" 1
1683 1 155 ILE MG 1 156 LEU H . . 3.880 3.707 3.506 3.883 0.003 2 0 "[ . 1 . 2]" 1
1684 1 156 LEU H 1 156 LEU QB . . 3.510 2.603 2.166 3.203 . 0 0 "[ . 1 . 2]" 1
1685 1 156 LEU H 1 156 LEU MD1 . . 4.950 3.908 2.540 4.469 . 0 0 "[ . 1 . 2]" 1
1686 1 156 LEU H 1 156 LEU MD2 . . 4.950 3.412 1.906 4.284 . 0 0 "[ . 1 . 2]" 1
1687 1 156 LEU H 1 156 LEU HG . . 4.250 3.267 2.180 4.338 0.088 1 0 "[ . 1 . 2]" 1
1688 1 156 LEU HA 1 157 LEU H . . 3.070 2.434 2.119 3.095 0.025 17 0 "[ . 1 . 2]" 1
1689 1 157 LEU H 1 157 LEU QB . . 3.190 2.421 2.013 3.011 . 0 0 "[ . 1 . 2]" 1
1690 1 157 LEU HA 1 158 HIS H . . 3.240 2.200 2.045 2.575 . 0 0 "[ . 1 . 2]" 1
1691 1 157 LEU QB 1 158 HIS H . . 4.070 3.438 2.357 4.040 . 0 0 "[ . 1 . 2]" 1
1692 1 157 LEU MD1 1 158 HIS HB2 . . 3.050 2.840 2.222 3.081 0.031 11 0 "[ . 1 . 2]" 1
1693 1 157 LEU MD1 1 158 HIS HB3 . . 3.010 2.875 2.391 3.038 0.028 15 0 "[ . 1 . 2]" 1
1694 1 158 HIS H 1 158 HIS HB2 . . 4.190 2.460 2.044 3.071 . 0 0 "[ . 1 . 2]" 1
1695 1 158 HIS H 1 158 HIS HB3 . . 3.870 2.854 2.317 3.669 . 0 0 "[ . 1 . 2]" 1
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