NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392807 |
1q5l   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q5l
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 903
_Distance_constraint_stats_list.Viol_count 1331
_Distance_constraint_stats_list.Viol_total 9412.215
_Distance_constraint_stats_list.Viol_max 9.708
_Distance_constraint_stats_list.Viol_rms 0.3459
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0463
_Distance_constraint_stats_list.Viol_average_violations_only 0.4714
_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 21 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 22 VAL 5.698 3.153 15 1 "[ . 1 +]"
1 23 THR 9.116 0.632 15 6 "[* - . ** * +]"
1 25 LEU 4.365 0.409 6 0 "[ . 1 .]"
1 26 SER 1.527 0.380 8 0 "[ . 1 .]"
1 27 LEU 6.416 1.051 6 1 "[ .+ 1 .]"
1 28 GLY 0.294 0.192 13 0 "[ . 1 .]"
1 29 ILE 25.023 2.044 15 13 "[*** ******* **+]"
1 30 GLU 5.936 0.450 11 0 "[ . 1 .]"
1 31 THR 6.459 0.450 11 0 "[ . 1 .]"
1 32 MET 0.000 0.000 . 0 "[ . 1 .]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 34 GLY 3.046 0.472 6 0 "[ . 1 .]"
1 35 VAL 2.957 0.545 5 1 "[ + 1 .]"
1 36 MET 8.532 1.456 11 7 "[ * **-*+* .]"
1 37 THR 23.718 2.044 15 13 "[*** -****** **+]"
1 38 THR 13.197 1.183 15 11 "[ **-.****** *+]"
1 39 LEU 10.934 0.922 7 13 "[*** * +***-****]"
1 40 ILE 2.634 0.306 5 0 "[ . 1 .]"
1 41 ALA 6.799 1.018 5 4 "[ +* 1 *-.]"
1 42 LYS 12.791 1.183 15 11 "[ **-.****** *+]"
1 43 ASN 1.275 0.666 11 1 "[ . 1+ .]"
1 44 THR 20.150 1.980 13 10 "[ ***** ** +*-]"
1 45 THR 3.122 2.095 15 1 "[ . 1 +]"
1 46 ILE 18.330 3.153 15 9 "[ **.** ** **+]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 48 THR 5.913 2.095 15 1 "[ . 1 +]"
1 49 LYS 0.483 0.123 15 0 "[ . 1 .]"
1 50 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 51 SER 14.548 1.992 6 10 "[* -**+ **** *]"
1 52 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 53 VAL 1.026 0.261 15 0 "[ . 1 .]"
1 54 PHE 2.564 0.298 14 0 "[ . 1 .]"
1 55 SER 59.223 5.848 3 14 "[**+**-******* *]"
1 56 THR 137.318 9.708 15 15 [*******-******+]
1 57 ALA 5.939 0.901 14 1 "[ . 1 +.]"
1 58 GLU 4.281 0.350 5 0 "[ . 1 .]"
1 59 ASP 0.326 0.204 14 0 "[ . 1 .]"
1 60 ASN 6.813 2.551 14 1 "[ . 1 +.]"
1 61 GLN 3.486 0.539 14 1 "[ . 1 +.]"
1 62 SER 7.535 2.551 14 1 "[ . 1 +.]"
1 63 ALA 2.910 0.848 9 2 "[ - . +1 .]"
1 64 VAL 25.962 0.902 15 15 [*******-******+]
1 65 THR 61.925 5.848 3 13 "[**+-******** *]"
1 66 ILE 22.724 1.449 11 15 [******-***+****]
1 67 HIS 122.346 9.708 15 15 [************-*+]
1 68 VAL 22.897 0.705 3 12 "[**+***** 1-* **]"
1 69 LEU 5.945 0.712 10 1 "[ . + .]"
1 70 GLN 2.352 1.051 6 1 "[ .+ 1 .]"
1 71 GLY 5.682 1.903 13 2 "[ . - + .]"
1 72 GLU 6.527 3.122 10 5 "[ - . +** *.]"
1 73 ARG 0.309 0.247 6 0 "[ . 1 .]"
1 75 ARG 2.140 0.343 12 0 "[ . 1 .]"
1 76 ALA 6.230 1.456 11 3 "[ . * -1+ .]"
1 77 ALA 1.989 0.815 7 1 "[ . + 1 .]"
1 78 ASP 7.999 1.316 5 5 "[ + -* * * .]"
1 79 ASN 8.095 3.122 10 5 "[ - . +** *.]"
1 80 LYS 0.958 0.267 9 0 "[ . 1 .]"
1 81 SER 2.128 0.712 10 1 "[ . + .]"
1 82 LEU 29.936 1.903 13 15 [**********-*+**]
1 83 GLY 7.711 0.705 3 12 "[**+***-* 1** **]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 85 PHE 25.089 1.046 15 15 [***********-**+]
1 86 ASN 3.868 0.848 9 2 "[ - . +1 .]"
1 87 LEU 17.181 1.046 15 15 [-*************+]
1 88 ASP 1.446 0.564 1 1 "[+ . 1 .]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 90 ILE 27.920 2.460 10 15 [*********+*-***]
1 91 ASN 27.403 2.460 10 15 [*********+*-***]
1 93 ALA 1.682 1.682 14 1 "[ . 1 +.]"
1 94 PRO 1.808 0.312 11 0 "[ . 1 .]"
1 95 ARG 3.250 0.358 4 0 "[ . 1 .]"
1 96 GLY 16.802 2.094 10 12 "[ **-*****+** *]"
1 97 MET 0.000 0.000 . 0 "[ . 1 .]"
1 99 GLN 1.509 0.149 1 0 "[ . 1 .]"
1 100 ILE 5.470 0.670 14 1 "[ . 1 +.]"
1 101 GLU 0.081 0.065 13 0 "[ . 1 .]"
1 102 VAL 13.108 0.922 7 13 "[*** * +***-****]"
1 103 THR 30.300 1.992 6 15 [*****+**-******]
1 104 PHE 9.462 1.274 4 7 "[ +.*- ** ** .]"
1 105 ASP 0.639 0.120 13 0 "[ . 1 .]"
1 106 ILE 17.417 0.632 15 6 "[* - . ** * +]"
1 107 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 108 ALA 0.277 0.157 15 0 "[ . 1 .]"
1 109 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 110 GLY 1.285 0.228 15 0 "[ . 1 .]"
1 111 ILE 3.412 0.494 2 0 "[ . 1 .]"
1 112 LEU 7.327 1.888 11 2 "[ -. 1+ .]"
1 113 HIS 0.829 0.416 11 0 "[ . 1 .]"
1 114 VAL 35.815 1.888 11 14 "[** ***-***+****]"
1 115 SER 21.760 1.239 13 15 [*******-****+**]
1 116 ALA 29.747 1.449 11 15 [**********+-***]
1 117 LYS 12.713 1.142 12 14 "[****-******+ **]"
1 118 ASP 0.677 0.211 5 0 "[ . 1 .]"
1 119 LYS 0.598 0.306 15 0 "[ . 1 .]"
1 120 ASN 1.448 0.373 12 0 "[ . 1 .]"
1 121 SER 1.109 0.373 12 0 "[ . 1 .]"
1 122 GLY 1.376 0.708 12 1 "[ . 1 + .]"
1 123 LYS 1.453 0.708 12 1 "[ . 1 + .]"
1 124 GLU 6.397 1.142 12 2 "[ . *1 + .]"
1 125 GLN 4.334 0.907 9 2 "[ . +1 - .]"
1 126 LYS 6.433 1.239 13 6 "[ * * - 1* + *]"
1 127 ILE 34.598 1.495 13 15 [************+**]
1 128 THR 11.997 1.495 13 10 "[****. * ** *+ *]"
1 129 ILE 0.047 0.020 8 0 "[ . 1 .]"
1 130 LYS 1.014 0.282 9 0 "[ . 1 .]"
1 131 ALA 2.205 0.485 3 0 "[ . 1 .]"
1 132 SER 10.422 1.503 15 10 "[ ****-**** +]"
2 3 LEU 19.471 2.094 10 13 "[ **-*****+*** *]"
2 4 LEU 1.515 0.388 2 0 "[ . 1 .]"
2 5 LEU 0.168 0.154 10 0 "[ . 1 .]"
2 6 THR 3.290 0.322 10 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 ASP HA 1 22 VAL H 3.300 . 4.700 2.897 2.200 3.570 . 0 0 "[ . 1 .]" 1
2 1 22 VAL HA 1 22 VAL HB 2.400 . 3.100 2.534 2.297 2.702 . 0 0 "[ . 1 .]" 1
3 1 22 VAL HA 1 22 VAL QG 2.200 . 2.800 2.189 2.019 2.452 . 0 0 "[ . 1 .]" 1
4 1 22 VAL HA 1 23 THR H 1.900 . 2.400 2.436 2.094 2.699 0.299 7 0 "[ . 1 .]" 1
5 1 22 VAL HA 1 45 THR MG 6.000 . 6.000 4.843 3.628 5.898 . 0 0 "[ . 1 .]" 1
6 1 22 VAL HA 1 46 ILE H 3.400 . 4.900 3.794 2.515 8.053 3.153 15 1 "[ . 1 +]" 1
7 1 22 VAL HB 1 22 VAL QG 2.100 . 2.600 1.876 1.847 1.896 . 0 0 "[ . 1 .]" 1
8 1 22 VAL HB 1 23 THR H 2.400 . 3.100 2.519 1.897 3.575 0.475 7 0 "[ . 1 .]" 1
9 1 22 VAL HB 1 43 ASN HA 2.900 . 3.900 3.231 2.439 3.699 . 0 0 "[ . 1 .]" 1
10 1 22 VAL HB 1 43 ASN HB2 5.000 . 6.000 5.552 3.631 6.177 0.177 8 0 "[ . 1 .]" 1
11 1 22 VAL QG 1 23 THR H 3.200 . 4.500 2.992 1.763 3.448 0.137 7 0 "[ . 1 .]" 1
12 1 22 VAL QG 1 23 THR HA 4.300 . 6.000 4.300 3.539 4.586 . 0 0 "[ . 1 .]" 1
13 1 22 VAL QG 1 43 ASN H 4.200 . 6.000 3.400 1.978 5.057 0.022 7 0 "[ . 1 .]" 1
14 1 22 VAL QG 1 43 ASN HA 3.200 . 4.500 2.734 2.076 3.871 . 0 0 "[ . 1 .]" 1
15 1 22 VAL QG 1 43 ASN HB2 4.900 . 6.000 4.595 3.719 5.354 . 0 0 "[ . 1 .]" 1
16 1 22 VAL QG 1 44 THR H 4.100 . 6.000 3.472 2.061 4.661 . 0 0 "[ . 1 .]" 1
17 1 22 VAL QG 1 44 THR HA 4.400 . 6.000 3.736 2.179 4.294 . 0 0 "[ . 1 .]" 1
18 1 22 VAL QG 1 45 THR H 4.600 . 6.000 4.263 2.809 4.995 . 0 0 "[ . 1 .]" 1
19 1 22 VAL QG 1 45 THR MG 3.100 . 4.300 3.604 1.759 3.916 0.141 15 0 "[ . 1 .]" 1
20 1 23 THR H 1 23 THR HB 4.100 . 6.000 3.501 3.332 4.026 . 0 0 "[ . 1 .]" 1
21 1 23 THR H 1 23 THR MG 2.900 . 3.900 3.055 2.602 3.699 . 0 0 "[ . 1 .]" 1
22 1 23 THR H 1 44 THR H 3.200 . 4.500 3.682 2.659 4.656 0.156 15 0 "[ . 1 .]" 1
23 1 23 THR H 1 46 ILE MG 6.000 . 6.000 5.438 4.436 5.991 . 0 0 "[ . 1 .]" 1
24 1 23 THR HA 1 23 THR MG 2.300 . 3.000 2.073 1.933 2.190 . 0 0 "[ . 1 .]" 1
25 1 23 THR HA 1 25 LEU H 3.400 . 4.900 3.968 3.239 5.004 0.104 6 0 "[ . 1 .]" 1
26 1 23 THR HA 1 46 ILE MG 6.000 . 6.000 4.889 4.079 5.830 . 0 0 "[ . 1 .]" 1
27 1 23 THR HB 1 23 THR MG 2.300 . 3.000 2.114 2.090 2.135 . 0 0 "[ . 1 .]" 1
28 1 23 THR HB 1 25 LEU H 3.200 . 4.400 2.709 2.156 4.362 . 0 0 "[ . 1 .]" 1
29 1 23 THR HB 1 26 SER H 3.900 . 5.800 5.487 5.315 5.705 . 0 0 "[ . 1 .]" 1
30 1 23 THR HB 1 27 LEU QD 5.100 . 6.000 4.329 2.789 4.812 . 0 0 "[ . 1 .]" 1
31 1 23 THR MG 1 27 LEU QD 3.100 . 4.300 3.071 2.237 3.344 . 0 0 "[ . 1 .]" 1
32 1 23 THR MG 1 40 ILE MD 4.800 . 6.000 4.312 3.972 4.769 . 0 0 "[ . 1 .]" 1
33 1 23 THR MG 1 40 ILE MG 2.700 . 3.600 2.569 1.747 3.178 0.053 15 0 "[ . 1 .]" 1
34 1 23 THR MG 1 46 ILE MG 3.000 . 4.200 3.623 3.595 3.674 . 0 0 "[ . 1 .]" 1
35 1 23 THR MG 1 106 ILE MD 2.100 . 2.600 2.946 1.908 3.232 0.632 15 6 "[* - . ** * +]" 1
36 1 23 THR MG 1 106 ILE MG 2.600 . 3.400 2.512 1.828 3.653 0.253 15 0 "[ . 1 .]" 1
37 1 25 LEU H 1 25 LEU HA 2.900 . 4.000 2.819 2.749 2.888 . 0 0 "[ . 1 .]" 1
38 1 25 LEU H 1 25 LEU HG 5.200 . 6.000 4.569 4.381 4.705 . 0 0 "[ . 1 .]" 1
39 1 25 LEU H 1 41 ALA HA 4.000 . 6.000 5.912 3.962 6.139 0.139 7 0 "[ . 1 .]" 1
40 1 25 LEU H 1 42 LYS HA 4.600 . 6.000 3.704 2.840 4.776 . 0 0 "[ . 1 .]" 1
41 1 25 LEU HA 1 25 LEU HB2 2.800 . 3.800 2.647 2.324 2.873 . 0 0 "[ . 1 .]" 1
42 1 25 LEU HA 1 25 LEU QD 3.800 . 5.600 2.711 1.940 3.016 0.060 6 0 "[ . 1 .]" 1
43 1 25 LEU HA 1 25 LEU HG 2.100 . 2.600 2.386 2.101 3.009 0.409 6 0 "[ . 1 .]" 1
44 1 25 LEU HA 1 26 SER H 2.300 . 3.000 2.502 2.159 3.380 0.380 8 0 "[ . 1 .]" 1
45 1 25 LEU HA 1 42 LYS HA 5.800 . 6.000 4.815 3.820 6.279 0.279 15 0 "[ . 1 .]" 1
46 1 25 LEU QD 1 25 LEU HG 2.200 . 2.800 1.870 1.856 1.888 . 0 0 "[ . 1 .]" 1
47 1 25 LEU QD 1 71 GLY QA 3.000 . 4.100 2.441 1.658 4.298 0.242 7 0 "[ . 1 .]" 1
48 1 25 LEU QD 1 132 SER HB2 6.000 . 6.000 4.530 3.628 5.830 . 0 0 "[ . 1 .]" 1
49 1 25 LEU HG 1 71 GLY QA 3.800 . 5.600 4.040 2.744 4.547 . 0 0 "[ . 1 .]" 1
50 1 26 SER HA 1 27 LEU H 1.800 . 2.200 2.160 2.064 2.443 0.243 4 0 "[ . 1 .]" 1
51 1 26 SER HA 1 27 LEU HG 4.500 . 6.000 5.979 5.725 6.119 0.119 15 0 "[ . 1 .]" 1
52 1 27 LEU H 1 27 LEU HG 3.800 . 5.600 4.375 4.228 4.492 . 0 0 "[ . 1 .]" 1
53 1 27 LEU H 1 38 THR MG 3.500 . 5.100 3.707 2.133 4.308 . 0 0 "[ . 1 .]" 1
54 1 27 LEU H 1 40 ILE H 4.600 . 6.000 3.768 2.977 4.437 . 0 0 "[ . 1 .]" 1
55 1 27 LEU H 1 40 ILE HA 5.400 . 6.000 4.813 4.220 5.830 . 0 0 "[ . 1 .]" 1
56 1 27 LEU H 1 41 ALA HA 6.000 . 6.000 2.061 1.872 3.656 . 0 0 "[ . 1 .]" 1
57 1 27 LEU H 1 71 GLY H 4.100 . 6.000 4.962 3.906 5.300 . 0 0 "[ . 1 .]" 1
58 1 27 LEU HA 1 27 LEU QD 3.000 . 4.100 2.743 2.367 2.911 . 0 0 "[ . 1 .]" 1
59 1 27 LEU HA 1 27 LEU HG 3.400 . 4.900 2.237 2.074 2.445 . 0 0 "[ . 1 .]" 1
60 1 27 LEU HA 1 28 GLY H 2.000 . 2.500 2.224 2.173 2.408 . 0 0 "[ . 1 .]" 1
61 1 27 LEU MD1 1 27 LEU MD2 1.600 . 2.200 2.023 1.910 2.083 . 0 0 "[ . 1 .]" 1
62 1 27 LEU QD 1 28 GLY H 4.600 . 6.000 2.687 1.882 4.100 0.018 6 0 "[ . 1 .]" 1
63 1 27 LEU QD 1 40 ILE HA 3.600 . 5.300 4.901 4.696 5.145 . 0 0 "[ . 1 .]" 1
64 1 27 LEU QD 1 70 GLN HA 4.300 . 6.000 3.802 3.390 4.245 . 0 0 "[ . 1 .]" 1
65 1 27 LEU QD 1 70 GLN HB2 2.800 . 3.800 3.073 2.123 4.851 1.051 6 1 "[ .+ 1 .]" 1
66 1 27 LEU QD 1 82 LEU QD 3.900 . 5.800 1.927 1.597 2.459 0.403 8 0 "[ . 1 .]" 1
67 1 27 LEU QD 1 104 PHE QD 3.800 . 5.600 4.308 2.325 5.801 0.201 15 0 "[ . 1 .]" 1
68 1 27 LEU QD 1 106 ILE MD 1.900 . 2.400 1.828 1.579 2.182 . 0 0 "[ . 1 .]" 1
69 1 27 LEU QD 1 112 LEU QD 2.100 . 2.600 1.750 1.474 2.499 0.126 5 0 "[ . 1 .]" 1
70 1 27 LEU QD 1 114 VAL QG 6.000 . 6.000 3.838 3.234 5.028 . 0 0 "[ . 1 .]" 1
71 1 27 LEU QD 1 129 ILE HB 4.800 . 6.000 4.947 4.054 5.622 . 0 0 "[ . 1 .]" 1
72 1 27 LEU HG 1 28 GLY H 5.700 . 6.000 3.225 2.929 4.179 . 0 0 "[ . 1 .]" 1
73 1 27 LEU HG 1 40 ILE HB 6.000 . 6.000 4.689 4.504 4.895 . 0 0 "[ . 1 .]" 1
74 1 27 LEU HG 1 82 LEU QD 3.200 . 4.500 1.928 1.790 2.208 0.110 14 0 "[ . 1 .]" 1
75 1 27 LEU HG 1 106 ILE MD 3.100 . 4.300 4.278 3.829 4.670 0.370 7 0 "[ . 1 .]" 1
76 1 28 GLY H 1 40 ILE H 3.500 . 5.000 4.496 4.168 4.826 . 0 0 "[ . 1 .]" 1
77 1 28 GLY H 1 69 LEU H 3.800 . 5.600 3.989 3.743 4.348 . 0 0 "[ . 1 .]" 1
78 1 28 GLY HA2 1 29 ILE H 2.300 . 3.000 2.443 2.401 2.471 . 0 0 "[ . 1 .]" 1
79 1 28 GLY HA2 1 38 THR HB 4.800 . 6.000 4.972 4.717 5.259 . 0 0 "[ . 1 .]" 1
80 1 28 GLY HA2 1 39 LEU H 3.300 . 4.600 2.144 1.808 2.630 0.192 13 0 "[ . 1 .]" 1
81 1 28 GLY HA2 1 39 LEU QD 6.000 . 6.000 2.945 2.202 3.658 . 0 0 "[ . 1 .]" 1
82 1 28 GLY HA3 1 29 ILE H 2.500 . 3.300 2.687 2.561 2.731 . 0 0 "[ . 1 .]" 1
83 1 28 GLY HA3 1 38 THR HB 4.900 . 6.000 4.718 4.280 5.406 . 0 0 "[ . 1 .]" 1
84 1 28 GLY HA3 1 39 LEU H 2.700 . 3.600 2.905 2.474 3.507 . 0 0 "[ . 1 .]" 1
85 1 29 ILE H 1 29 ILE HG12 4.000 . 6.000 2.387 2.280 2.595 . 0 0 "[ . 1 .]" 1
86 1 29 ILE H 1 29 ILE MG 3.300 . 4.700 2.869 2.418 3.176 . 0 0 "[ . 1 .]" 1
87 1 29 ILE H 1 37 THR H 3.500 . 5.100 3.702 3.185 4.002 . 0 0 "[ . 1 .]" 1
88 1 29 ILE H 1 39 LEU H 6.000 . 6.000 4.046 3.798 4.513 . 0 0 "[ . 1 .]" 1
89 1 29 ILE HA 1 29 ILE HB 2.400 . 3.100 2.472 2.356 2.569 . 0 0 "[ . 1 .]" 1
90 1 29 ILE HA 1 29 ILE MG 2.900 . 3.900 2.289 2.130 2.533 . 0 0 "[ . 1 .]" 1
91 1 29 ILE HA 1 30 GLU H 2.400 . 3.100 2.462 2.433 2.490 . 0 0 "[ . 1 .]" 1
92 1 29 ILE HA 1 68 VAL HA 3.000 . 4.100 2.125 1.769 2.334 0.131 10 0 "[ . 1 .]" 1
93 1 29 ILE HA 1 69 LEU H 3.300 . 4.600 2.201 1.862 2.696 0.138 11 0 "[ . 1 .]" 1
94 1 29 ILE HA 1 69 LEU QD 5.600 . 6.000 4.788 4.138 5.196 . 0 0 "[ . 1 .]" 1
95 1 29 ILE HA 1 69 LEU HG 6.000 . 6.000 6.124 5.915 6.256 0.256 10 0 "[ . 1 .]" 1
96 1 29 ILE HB 1 29 ILE MD 3.100 . 4.300 2.198 2.125 2.424 . 0 0 "[ . 1 .]" 1
97 1 29 ILE HB 1 29 ILE HG12 2.700 . 3.600 3.000 2.978 3.023 . 0 0 "[ . 1 .]" 1
98 1 29 ILE HB 1 29 ILE MG 2.200 . 2.800 2.088 2.076 2.117 . 0 0 "[ . 1 .]" 1
99 1 29 ILE HB 1 30 GLU H 3.600 . 5.200 2.276 2.224 2.394 . 0 0 "[ . 1 .]" 1
100 1 29 ILE HB 2 4 LEU MD2 6.000 . 6.000 4.633 3.818 5.994 . 0 0 "[ . 1 .]" 1
101 1 29 ILE MD 1 29 ILE HG12 2.400 . 3.100 2.084 2.072 2.109 . 0 0 "[ . 1 .]" 1
102 1 29 ILE MD 1 29 ILE MG 2.300 . 3.000 2.335 2.016 2.477 . 0 0 "[ . 1 .]" 1
103 1 29 ILE MD 1 31 THR MG 3.300 . 4.600 2.166 2.014 2.550 . 0 0 "[ . 1 .]" 1
104 1 29 ILE MD 1 37 THR MG 6.000 . 6.000 3.657 3.026 4.132 . 0 0 "[ . 1 .]" 1
105 1 29 ILE MD 1 39 LEU QD 3.200 . 4.500 2.503 2.056 2.854 . 0 0 "[ . 1 .]" 1
106 1 29 ILE MD 1 66 ILE HA 5.100 . 6.000 4.301 3.914 4.653 . 0 0 "[ . 1 .]" 1
107 1 29 ILE MD 1 66 ILE MD 2.500 . 3.300 3.109 2.977 3.216 . 0 0 "[ . 1 .]" 1
108 1 29 ILE MD 1 102 VAL QG 2.700 . 3.600 2.656 2.066 3.264 . 0 0 "[ . 1 .]" 1
109 1 29 ILE MD 2 4 LEU MD1 3.500 . 5.100 3.753 3.037 4.555 . 0 0 "[ . 1 .]" 1
110 1 29 ILE HG12 1 29 ILE MG 2.400 . 3.100 2.159 2.050 2.306 . 0 0 "[ . 1 .]" 1
111 1 29 ILE HG12 1 37 THR HA 5.300 . 6.000 6.106 5.201 6.670 0.670 15 1 "[ . 1 +]" 1
112 1 29 ILE HG12 1 37 THR HB 2.800 . 3.800 3.329 2.423 3.891 0.091 15 0 "[ . 1 .]" 1
113 1 29 ILE HG12 1 37 THR MG 1.900 . 2.400 3.694 2.443 4.444 2.044 15 13 "[*** ******* *-+]" 1
114 1 29 ILE MG 1 30 GLU H 5.400 . 6.000 3.590 3.370 3.873 . 0 0 "[ . 1 .]" 1
115 1 29 ILE MG 1 31 THR MG 3.600 . 5.200 4.609 4.297 5.010 . 0 0 "[ . 1 .]" 1
116 1 29 ILE MG 1 37 THR HB 6.000 . 6.000 4.686 4.140 5.018 . 0 0 "[ . 1 .]" 1
117 1 29 ILE MG 1 37 THR MG 3.700 . 5.400 4.919 3.721 5.494 0.094 15 0 "[ . 1 .]" 1
118 1 29 ILE MG 1 54 PHE QD 4.100 . 6.000 5.820 5.202 6.070 0.070 4 0 "[ . 1 .]" 1
119 1 29 ILE MG 1 66 ILE MG 2.300 . 2.900 2.697 2.435 2.778 . 0 0 "[ . 1 .]" 1
120 1 29 ILE MG 1 68 VAL HA 3.600 . 5.200 2.805 2.224 3.741 . 0 0 "[ . 1 .]" 1
121 1 29 ILE MG 1 104 PHE QD 3.700 . 5.400 3.510 2.802 4.618 . 0 0 "[ . 1 .]" 1
122 1 30 GLU H 1 31 THR HA 3.200 . 4.400 4.796 4.754 4.850 0.450 11 0 "[ . 1 .]" 1
123 1 30 GLU H 1 39 LEU QD 6.000 . 6.000 5.532 5.203 5.874 . 0 0 "[ . 1 .]" 1
124 1 30 GLU H 1 67 HIS HB2 4.700 . 6.000 4.359 2.836 4.910 . 0 0 "[ . 1 .]" 1
125 1 30 GLU HA 1 31 THR H 2.100 . 2.600 2.140 2.120 2.151 . 0 0 "[ . 1 .]" 1
126 1 30 GLU HA 1 36 MET HA 6.000 . 6.000 2.616 1.986 3.852 . 0 0 "[ . 1 .]" 1
127 1 30 GLU HA 1 69 LEU QD 3.500 . 5.100 4.090 2.841 5.060 . 0 0 "[ . 1 .]" 1
128 1 30 GLU HA 1 76 ALA MB 4.900 . 6.000 5.012 3.916 5.839 . 0 0 "[ . 1 .]" 1
129 1 31 THR H 1 31 THR HA 2.900 . 4.000 2.922 2.917 2.929 . 0 0 "[ . 1 .]" 1
130 1 31 THR H 1 31 THR MG 3.700 . 5.400 2.629 2.146 3.240 . 0 0 "[ . 1 .]" 1
131 1 31 THR H 1 35 VAL H 4.500 . 6.000 3.866 3.442 4.243 . 0 0 "[ . 1 .]" 1
132 1 31 THR H 1 35 VAL HB 4.100 . 6.000 3.414 2.208 4.625 . 0 0 "[ . 1 .]" 1
133 1 31 THR H 1 35 VAL QG 5.100 . 6.000 3.657 2.724 4.138 . 0 0 "[ . 1 .]" 1
134 1 31 THR HA 1 31 THR MG 2.600 . 3.500 2.339 1.993 2.588 . 0 0 "[ . 1 .]" 1
135 1 31 THR HA 1 32 MET H 2.500 . 3.300 2.400 2.317 2.452 . 0 0 "[ . 1 .]" 1
136 1 31 THR HB 1 31 THR MG 2.200 . 2.800 2.111 2.091 2.133 . 0 0 "[ . 1 .]" 1
137 1 31 THR HB 1 32 MET H 2.600 . 3.500 2.472 2.295 2.680 . 0 0 "[ . 1 .]" 1
138 1 31 THR MG 1 32 MET H 5.300 . 6.000 3.713 3.264 3.941 . 0 0 "[ . 1 .]" 1
139 1 31 THR MG 1 37 THR H 5.100 . 6.000 4.662 3.982 5.355 . 0 0 "[ . 1 .]" 1
140 1 31 THR MG 1 37 THR HA 6.000 . 6.000 4.998 4.651 5.730 . 0 0 "[ . 1 .]" 1
141 1 31 THR MG 1 37 THR HB 3.400 . 4.800 3.131 2.427 3.523 . 0 0 "[ . 1 .]" 1
142 1 31 THR MG 1 54 PHE QD 2.900 . 3.900 3.618 2.704 4.123 0.223 4 0 "[ . 1 .]" 1
143 1 31 THR MG 2 4 LEU MD1 4.000 . 6.000 3.591 2.292 4.217 . 0 0 "[ . 1 .]" 1
144 1 31 THR MG 2 4 LEU MD2 5.400 . 6.000 2.700 1.998 3.647 . 0 0 "[ . 1 .]" 1
145 1 31 THR MG 2 4 LEU HG 6.000 . 6.000 3.317 2.087 4.263 . 0 0 "[ . 1 .]" 1
146 1 32 MET H 1 32 MET HA 2.700 . 3.600 2.271 2.268 2.276 . 0 0 "[ . 1 .]" 1
147 1 32 MET H 2 3 LEU HA 5.300 . 6.000 4.913 4.022 5.841 . 0 0 "[ . 1 .]" 1
148 1 32 MET H 2 3 LEU QD 6.000 . 6.000 5.279 4.647 5.608 . 0 0 "[ . 1 .]" 1
149 1 32 MET HA 1 32 MET ME 3.700 . 5.400 3.829 2.941 4.403 . 0 0 "[ . 1 .]" 1
150 1 32 MET HA 1 32 MET HG2 2.800 . 3.800 2.887 2.049 3.503 . 0 0 "[ . 1 .]" 1
151 1 32 MET HA 1 33 GLY H 3.200 . 4.500 3.131 2.942 3.557 . 0 0 "[ . 1 .]" 1
152 1 32 MET HA 2 5 LEU QD 3.000 . 4.100 3.044 1.980 3.910 . 0 0 "[ . 1 .]" 1
153 1 32 MET ME 1 32 MET HG2 2.900 . 4.000 2.839 2.153 3.345 . 0 0 "[ . 1 .]" 1
154 1 32 MET ME 1 57 ALA MB 4.200 . 6.000 3.581 2.683 4.238 . 0 0 "[ . 1 .]" 1
155 1 32 MET HG2 1 57 ALA MB 5.200 . 6.000 4.778 3.156 5.904 . 0 0 "[ . 1 .]" 1
156 1 33 GLY H 1 33 GLY QA 2.300 . 3.000 2.208 2.183 2.488 . 0 0 "[ . 1 .]" 1
157 1 33 GLY H 1 34 GLY H 3.200 . 4.500 3.299 2.914 3.594 . 0 0 "[ . 1 .]" 1
158 1 33 GLY QA 1 34 GLY H 2.700 . 3.600 2.317 2.224 2.432 . 0 0 "[ . 1 .]" 1
159 1 34 GLY H 1 34 GLY HA2 2.900 . 3.900 2.578 2.405 2.729 . 0 0 "[ . 1 .]" 1
160 1 34 GLY H 1 34 GLY HA3 2.300 . 3.000 2.942 2.894 2.969 . 0 0 "[ . 1 .]" 1
161 1 34 GLY H 1 35 VAL H 2.500 . 3.300 2.281 1.785 2.792 . 0 0 "[ . 1 .]" 1
162 1 34 GLY H 1 35 VAL MG1 6.000 . 6.000 5.532 5.058 5.701 . 0 0 "[ . 1 .]" 1
163 1 34 GLY H 1 65 THR HB 5.800 . 6.000 6.101 6.028 6.197 0.197 10 0 "[ . 1 .]" 1
164 1 34 GLY HA2 1 35 VAL H 4.900 . 6.000 3.365 2.551 3.582 . 0 0 "[ . 1 .]" 1
165 1 34 GLY HA2 1 76 ALA MB 6.000 . 6.000 4.586 3.323 5.202 . 0 0 "[ . 1 .]" 1
166 1 34 GLY HA3 1 35 VAL H 2.400 . 3.100 3.118 2.664 3.572 0.472 6 0 "[ . 1 .]" 1
167 1 34 GLY HA3 1 35 VAL HB 6.000 . 6.000 5.624 5.431 5.967 . 0 0 "[ . 1 .]" 1
168 1 34 GLY HA3 1 76 ALA MB 4.500 . 6.000 5.374 4.511 6.058 0.058 7 0 "[ . 1 .]" 1
169 1 35 VAL H 1 35 VAL HA 2.300 . 3.000 2.942 2.912 2.953 . 0 0 "[ . 1 .]" 1
170 1 35 VAL H 1 35 VAL HB 3.000 . 4.100 2.918 2.578 3.590 . 0 0 "[ . 1 .]" 1
171 1 35 VAL H 1 35 VAL MG2 2.300 . 3.000 2.270 1.649 3.212 0.212 6 0 "[ . 1 .]" 1
172 1 35 VAL H 1 36 MET H 6.000 . 6.000 4.539 4.356 4.569 . 0 0 "[ . 1 .]" 1
173 1 35 VAL HA 1 35 VAL HB 2.600 . 3.500 2.949 2.624 3.025 . 0 0 "[ . 1 .]" 1
174 1 35 VAL HA 1 35 VAL MG1 2.400 . 3.100 2.219 1.966 2.464 . 0 0 "[ . 1 .]" 1
175 1 35 VAL HA 1 35 VAL MG2 2.300 . 3.000 2.641 2.272 3.157 0.157 12 0 "[ . 1 .]" 1
176 1 35 VAL HA 1 36 MET H 2.300 . 3.000 2.364 2.277 2.449 . 0 0 "[ . 1 .]" 1
177 1 35 VAL HA 1 76 ALA MB 5.100 . 6.000 3.192 2.069 4.474 . 0 0 "[ . 1 .]" 1
178 1 35 VAL HB 1 35 VAL MG1 1.800 . 2.200 2.111 2.084 2.128 . 0 0 "[ . 1 .]" 1
179 1 35 VAL HB 1 35 VAL MG2 2.000 . 2.500 2.109 2.089 2.131 . 0 0 "[ . 1 .]" 1
180 1 35 VAL HB 1 36 MET H 3.000 . 4.100 3.376 2.398 3.971 . 0 0 "[ . 1 .]" 1
181 1 35 VAL MG1 1 37 THR HA 6.000 . 6.000 4.956 3.781 6.545 0.545 5 1 "[ + 1 .]" 1
182 1 35 VAL MG2 1 36 MET H 3.800 . 5.600 3.984 3.766 4.110 . 0 0 "[ . 1 .]" 1
183 1 36 MET H 1 36 MET HA 2.700 . 3.600 2.935 2.932 2.938 . 0 0 "[ . 1 .]" 1
184 1 36 MET H 1 76 ALA H 3.200 . 4.500 3.615 2.345 5.956 1.456 11 3 "[ . * -1+ .]" 1
185 1 36 MET H 1 76 ALA MB 3.200 . 4.500 2.888 1.909 4.334 . 0 0 "[ . 1 .]" 1
186 1 36 MET HA 1 37 THR H 2.100 . 2.600 2.158 2.071 2.361 . 0 0 "[ . 1 .]" 1
187 1 36 MET HA 1 69 LEU QD 4.300 . 6.000 3.355 2.376 4.212 . 0 0 "[ . 1 .]" 1
188 1 36 MET HB2 1 78 ASP H 6.000 . 6.000 6.161 4.538 7.316 1.316 5 4 "[ + * - * .]" 1
189 1 37 THR H 1 37 THR HB 2.400 . 3.100 2.792 2.413 3.131 0.031 7 0 "[ . 1 .]" 1
190 1 37 THR H 1 69 LEU QD 6.000 . 6.000 4.476 3.461 5.361 . 0 0 "[ . 1 .]" 1
191 1 37 THR HA 1 37 THR MG 2.700 . 3.600 2.299 2.104 2.802 . 0 0 "[ . 1 .]" 1
192 1 37 THR HA 1 38 THR H 2.700 . 3.600 2.425 2.298 2.491 . 0 0 "[ . 1 .]" 1
193 1 37 THR HB 1 37 THR MG 2.300 . 2.900 2.120 2.089 2.135 . 0 0 "[ . 1 .]" 1
194 1 37 THR HB 1 38 THR H 3.100 . 4.300 3.569 3.204 4.021 . 0 0 "[ . 1 .]" 1
195 1 37 THR MG 1 38 THR H 4.400 . 6.000 2.021 1.950 2.231 0.050 9 0 "[ . 1 .]" 1
196 1 37 THR MG 1 39 LEU QD 3.100 . 4.300 2.794 2.430 3.999 . 0 0 "[ . 1 .]" 1
197 1 37 THR MG 1 54 PHE QD 4.100 . 6.000 5.416 5.210 5.481 . 0 0 "[ . 1 .]" 1
198 1 38 THR HA 1 38 THR HB 2.800 . 3.800 2.780 2.621 2.979 . 0 0 "[ . 1 .]" 1
199 1 38 THR HA 1 38 THR MG 2.000 . 2.500 2.114 1.920 2.196 . 0 0 "[ . 1 .]" 1
200 1 38 THR HB 1 39 LEU H 2.600 . 3.400 3.270 3.153 3.404 0.004 8 0 "[ . 1 .]" 1
201 1 38 THR MG 1 39 LEU H 3.100 . 4.300 2.921 1.967 3.580 . 0 0 "[ . 1 .]" 1
202 1 38 THR MG 1 39 LEU HA 4.600 . 6.000 4.860 3.824 5.336 . 0 0 "[ . 1 .]" 1
203 1 38 THR MG 1 40 ILE H 3.000 . 4.100 3.991 2.472 4.406 0.306 5 0 "[ . 1 .]" 1
204 1 38 THR MG 1 40 ILE HA 3.900 . 5.800 5.329 3.895 6.002 0.202 1 0 "[ . 1 .]" 1
205 1 38 THR MG 1 41 ALA HA 2.800 . 3.800 3.225 2.793 3.435 . 0 0 "[ . 1 .]" 1
206 1 38 THR MG 1 41 ALA MB 2.400 . 3.100 2.369 1.836 3.375 0.275 15 0 "[ . 1 .]" 1
207 1 38 THR MG 1 42 LYS H 2.900 . 4.000 4.693 4.358 5.183 1.183 15 11 "[ **-.****** *+]" 1
208 1 39 LEU H 1 40 ILE H 2.000 . 2.500 2.100 1.785 2.414 . 0 0 "[ . 1 .]" 1
209 1 39 LEU HA 1 39 LEU QD 2.200 . 2.800 2.076 1.761 2.890 0.239 1 0 "[ . 1 .]" 1
210 1 39 LEU HA 1 39 LEU HG 3.000 . 4.200 3.386 2.065 3.713 . 0 0 "[ . 1 .]" 1
211 1 39 LEU HA 1 40 ILE H 4.600 . 6.000 3.557 3.509 3.585 . 0 0 "[ . 1 .]" 1
212 1 39 LEU MD1 1 39 LEU MD2 2.300 . 2.900 2.000 1.874 2.069 . 0 0 "[ . 1 .]" 1
213 1 39 LEU QD 1 51 SER HA 5.600 . 6.000 5.417 4.697 5.815 . 0 0 "[ . 1 .]" 1
214 1 39 LEU QD 1 52 GLN H 6.000 . 6.000 4.690 4.169 5.250 . 0 0 "[ . 1 .]" 1
215 1 39 LEU QD 1 52 GLN HB2 5.300 . 6.000 3.938 3.177 4.589 . 0 0 "[ . 1 .]" 1
216 1 39 LEU QD 1 54 PHE QD 4.100 . 5.500 4.620 4.416 4.759 . 0 0 "[ . 1 .]" 1
217 1 39 LEU QD 1 102 VAL HB 6.000 . 6.000 4.503 2.986 5.393 . 0 0 "[ . 1 .]" 1
218 1 39 LEU QD 1 102 VAL QG . . 2.400 3.054 2.414 3.322 0.922 7 13 "[*** * +***-****]" 1
219 1 39 LEU QD 1 104 PHE QD 3.200 . 4.500 3.273 2.279 3.783 . 0 0 "[ . 1 .]" 1
220 1 39 LEU HG 1 50 HIS HB2 6.000 . 6.000 4.916 4.002 5.873 . 0 0 "[ . 1 .]" 1
221 1 39 LEU HG 1 104 PHE HB2 6.000 . 6.000 5.176 4.323 6.036 0.036 12 0 "[ . 1 .]" 1
222 1 40 ILE H 1 40 ILE HB 2.600 . 3.400 2.778 2.277 2.937 . 0 0 "[ . 1 .]" 1
223 1 40 ILE HA 1 40 ILE MD 4.800 . 6.000 3.889 3.367 3.995 . 0 0 "[ . 1 .]" 1
224 1 40 ILE HA 1 40 ILE MG 2.500 . 3.300 2.336 2.188 2.673 . 0 0 "[ . 1 .]" 1
225 1 40 ILE HA 1 41 ALA H 2.700 . 3.600 2.667 2.185 3.511 . 0 0 "[ . 1 .]" 1
226 1 40 ILE HA 1 48 THR MG 3.700 . 5.500 4.158 3.787 4.472 . 0 0 "[ . 1 .]" 1
227 1 40 ILE HB 1 40 ILE MD 2.400 . 3.100 2.162 2.051 2.291 . 0 0 "[ . 1 .]" 1
228 1 40 ILE HB 1 40 ILE MG 2.200 . 2.800 2.108 2.084 2.127 . 0 0 "[ . 1 .]" 1
229 1 40 ILE HB 1 48 THR MG 4.400 . 6.000 3.788 3.555 4.178 . 0 0 "[ . 1 .]" 1
230 1 40 ILE HB 1 106 ILE MD 3.500 . 5.000 3.684 2.354 4.500 . 0 0 "[ . 1 .]" 1
231 1 40 ILE MD 1 44 THR MG 4.300 . 6.000 4.574 4.004 5.209 . 0 0 "[ . 1 .]" 1
232 1 40 ILE MD 1 48 THR MG 1.700 . 2.200 2.132 1.650 2.257 0.057 15 0 "[ . 1 .]" 1
233 1 40 ILE MD 1 49 LYS HA 4.300 . 6.000 4.364 3.613 5.106 . 0 0 "[ . 1 .]" 1
234 1 40 ILE MD 1 50 HIS H 4.600 . 6.000 4.712 3.344 5.106 . 0 0 "[ . 1 .]" 1
235 1 40 ILE MD 1 50 HIS HB2 5.200 . 6.000 4.465 3.415 5.216 . 0 0 "[ . 1 .]" 1
236 1 40 ILE MD 1 104 PHE HB2 2.500 . 3.300 2.092 1.636 2.491 0.064 11 0 "[ . 1 .]" 1
237 1 40 ILE MD 1 104 PHE QD 3.600 . 5.300 3.130 2.293 3.630 . 0 0 "[ . 1 .]" 1
238 1 40 ILE MD 1 106 ILE MD 2.200 . 2.800 2.603 2.028 2.836 0.036 11 0 "[ . 1 .]" 1
239 1 40 ILE MD 1 112 LEU QD 4.100 . 6.000 2.316 1.961 2.943 0.039 6 0 "[ . 1 .]" 1
240 1 40 ILE MG 1 41 ALA H 4.100 . 6.000 3.528 1.948 4.056 0.052 15 0 "[ . 1 .]" 1
241 1 40 ILE MG 1 44 THR MG 2.400 . 3.100 2.082 1.622 3.092 0.078 7 0 "[ . 1 .]" 1
242 1 40 ILE MG 1 48 THR MG 2.100 . 2.700 1.924 1.593 2.577 . 0 0 "[ . 1 .]" 1
243 1 41 ALA H 1 41 ALA MB 2.800 . 3.800 2.321 2.026 2.869 . 0 0 "[ . 1 .]" 1
244 1 41 ALA HA 1 41 ALA MB 2.100 . 2.600 2.112 2.083 2.133 . 0 0 "[ . 1 .]" 1
245 1 41 ALA HA 1 42 LYS H 1.900 . 2.300 2.346 2.199 2.503 0.203 4 0 "[ . 1 .]" 1
246 1 41 ALA MB 1 42 LYS H 2.600 . 3.400 2.588 2.177 3.508 0.108 6 0 "[ . 1 .]" 1
247 1 41 ALA MB 1 44 THR HB 3.100 . 4.300 4.445 3.455 5.318 1.018 5 4 "[ +* 1 *-.]" 1
248 1 42 LYS H 1 42 LYS HA 2.800 . 3.800 2.774 2.690 2.862 . 0 0 "[ . 1 .]" 1
249 1 42 LYS H 1 43 ASN H 6.000 . 6.000 4.405 2.959 4.651 . 0 0 "[ . 1 .]" 1
250 1 42 LYS HA 1 43 ASN H 2.200 . 2.800 2.559 2.055 3.466 0.666 11 1 "[ . 1+ .]" 1
251 1 42 LYS HA 1 43 ASN HA 6.000 . 6.000 4.587 4.337 4.799 . 0 0 "[ . 1 .]" 1
252 1 42 LYS HA 1 44 THR H 3.700 . 5.400 3.408 3.023 4.332 . 0 0 "[ . 1 .]" 1
253 1 43 ASN H 1 43 ASN HA 2.100 . 2.700 2.378 2.268 2.925 0.225 13 0 "[ . 1 .]" 1
254 1 43 ASN H 1 44 THR H 2.400 . 3.100 2.626 1.929 3.011 . 0 0 "[ . 1 .]" 1
255 1 43 ASN HA 1 43 ASN HB2 2.800 . 3.800 2.800 2.285 3.020 . 0 0 "[ . 1 .]" 1
256 1 43 ASN HA 1 44 THR H 2.700 . 3.600 3.144 2.781 3.541 . 0 0 "[ . 1 .]" 1
257 1 44 THR H 1 44 THR HB 2.500 . 3.300 2.754 2.268 3.087 . 0 0 "[ . 1 .]" 1
258 1 44 THR H 1 46 ILE H 3.800 . 5.600 6.430 5.858 7.580 1.980 13 9 "[ **.** ** +*-]" 1
259 1 44 THR HA 1 44 THR MG 2.600 . 3.500 3.016 2.184 3.209 . 0 0 "[ . 1 .]" 1
260 1 44 THR HA 1 45 THR H 2.100 . 2.700 2.575 2.284 2.919 0.219 7 0 "[ . 1 .]" 1
261 1 44 THR HB 1 44 THR MG 2.200 . 2.800 2.114 2.091 2.134 . 0 0 "[ . 1 .]" 1
262 1 44 THR MG 1 45 THR H 2.600 . 3.500 2.538 1.932 3.074 . 0 0 "[ . 1 .]" 1
263 1 44 THR MG 1 46 ILE MG 4.600 . 6.000 5.382 3.850 6.018 0.018 11 0 "[ . 1 .]" 1
264 1 44 THR MG 1 48 THR MG 2.500 . 3.300 3.287 2.300 3.833 0.533 15 1 "[ . 1 +]" 1
265 1 45 THR H 1 45 THR HA 3.000 . 4.200 2.873 2.751 2.941 . 0 0 "[ . 1 .]" 1
266 1 45 THR H 1 45 THR MG 3.500 . 5.000 2.962 2.062 3.627 . 0 0 "[ . 1 .]" 1
267 1 45 THR H 1 48 THR HA 5.200 . 6.000 6.160 5.925 8.095 2.095 15 1 "[ . 1 +]" 1
268 1 45 THR HA 1 46 ILE H 2.100 . 2.600 2.257 2.156 2.638 0.038 15 0 "[ . 1 .]" 1
269 1 45 THR HA 1 46 ILE HB 5.500 . 6.000 4.825 4.563 5.823 . 0 0 "[ . 1 .]" 1
270 1 45 THR HA 1 46 ILE MD 5.600 . 6.000 4.517 4.043 4.889 . 0 0 "[ . 1 .]" 1
271 1 46 ILE H 1 46 ILE HB 3.100 . 4.300 2.647 2.422 3.777 . 0 0 "[ . 1 .]" 1
272 1 46 ILE H 1 46 ILE MG 3.000 . 4.100 3.646 1.925 3.777 . 0 0 "[ . 1 .]" 1
273 1 46 ILE HA 1 46 ILE HB 2.900 . 4.000 2.967 2.271 3.020 . 0 0 "[ . 1 .]" 1
274 1 46 ILE HA 1 46 ILE MD 3.800 . 5.600 2.232 1.977 3.852 0.023 2 0 "[ . 1 .]" 1
275 1 46 ILE HA 1 46 ILE MG 2.700 . 3.600 2.420 2.269 2.697 . 0 0 "[ . 1 .]" 1
276 1 46 ILE HA 1 48 THR H 3.600 . 5.200 4.445 4.257 4.871 . 0 0 "[ . 1 .]" 1
277 1 46 ILE HA 1 48 THR MG 3.500 . 5.000 3.904 3.245 5.445 0.445 15 0 "[ . 1 .]" 1
278 1 46 ILE HB 1 46 ILE MD 3.300 . 4.700 3.221 3.154 3.234 . 0 0 "[ . 1 .]" 1
279 1 46 ILE HB 1 46 ILE MG 2.300 . 2.900 2.112 2.083 2.141 . 0 0 "[ . 1 .]" 1
280 1 46 ILE HB 1 106 ILE MG 5.800 . 6.000 4.294 3.909 4.982 . 0 0 "[ . 1 .]" 1
281 1 46 ILE MD 1 48 THR MG 3.500 . 5.000 4.625 1.930 5.137 0.137 13 0 "[ . 1 .]" 1
282 1 46 ILE MD 1 106 ILE HA 6.000 . 6.000 5.840 5.063 6.019 0.019 10 0 "[ . 1 .]" 1
283 1 46 ILE MD 1 106 ILE MG 2.500 . 3.300 2.670 2.196 2.839 . 0 0 "[ . 1 .]" 1
284 1 46 ILE MD 1 110 GLY HA2 3.200 . 4.500 4.449 4.028 4.691 0.191 15 0 "[ . 1 .]" 1
285 1 46 ILE MD 1 110 GLY HA3 4.000 . 6.000 5.664 5.225 6.107 0.107 15 0 "[ . 1 .]" 1
286 1 46 ILE MG 1 106 ILE H 6.000 . 6.000 4.966 4.651 6.249 0.249 15 0 "[ . 1 .]" 1
287 1 46 ILE MG 1 106 ILE HA 6.000 . 6.000 4.601 4.274 6.257 0.257 15 0 "[ . 1 .]" 1
288 1 46 ILE MG 1 108 ALA HA 2.800 . 3.800 2.021 1.764 3.957 0.157 15 0 "[ . 1 .]" 1
289 1 46 ILE MG 1 110 GLY H 3.100 . 4.300 3.958 3.691 4.528 0.228 15 0 "[ . 1 .]" 1
290 1 47 PRO HA 1 48 THR H 2.200 . 2.800 2.415 2.334 2.520 . 0 0 "[ . 1 .]" 1
291 1 48 THR H 1 48 THR HA 2.800 . 3.800 2.943 2.936 2.948 . 0 0 "[ . 1 .]" 1
292 1 48 THR H 1 48 THR MG 2.300 . 2.900 2.041 1.651 2.330 0.049 1 0 "[ . 1 .]" 1
293 1 48 THR H 1 106 ILE H 3.200 . 4.500 2.640 2.331 2.890 . 0 0 "[ . 1 .]" 1
294 1 48 THR H 1 106 ILE HB 2.700 . 3.600 2.751 2.158 3.368 . 0 0 "[ . 1 .]" 1
295 1 48 THR H 1 106 ILE MD 5.900 . 6.000 5.281 4.855 5.700 . 0 0 "[ . 1 .]" 1
296 1 48 THR HA 1 48 THR MG 3.600 . 5.200 3.188 3.154 3.216 . 0 0 "[ . 1 .]" 1
297 1 48 THR HA 1 49 LYS H 2.100 . 2.600 2.339 2.150 2.411 . 0 0 "[ . 1 .]" 1
298 1 48 THR MG 1 49 LYS H 5.200 . 6.000 3.567 3.311 3.894 . 0 0 "[ . 1 .]" 1
299 1 49 LYS H 1 104 PHE H 6.000 . 6.000 6.013 5.854 6.123 0.123 15 0 "[ . 1 .]" 1
300 1 49 LYS HA 1 49 LYS HB2 2.800 . 3.800 2.495 2.321 2.642 . 0 0 "[ . 1 .]" 1
301 1 49 LYS HA 1 50 HIS H 1.900 . 2.400 2.230 2.177 2.310 . 0 0 "[ . 1 .]" 1
302 1 49 LYS HA 1 103 THR MG 6.000 . 6.000 3.731 3.478 4.337 . 0 0 "[ . 1 .]" 1
303 1 49 LYS HA 1 105 ASP HA 2.400 . 3.100 2.903 2.370 3.052 . 0 0 "[ . 1 .]" 1
304 1 49 LYS HA 1 106 ILE H 5.300 . 6.000 4.430 3.911 4.846 . 0 0 "[ . 1 .]" 1
305 1 49 LYS HB2 1 105 ASP HA 5.000 . 6.000 3.661 2.845 4.713 . 0 0 "[ . 1 .]" 1
306 1 50 HIS H 1 50 HIS HB2 3.700 . 5.400 2.697 2.280 2.979 . 0 0 "[ . 1 .]" 1
307 1 50 HIS H 1 103 THR MG 5.800 . 6.000 3.060 2.634 4.082 . 0 0 "[ . 1 .]" 1
308 1 50 HIS H 1 104 PHE H 2.900 . 4.000 2.283 2.011 2.534 . 0 0 "[ . 1 .]" 1
309 1 50 HIS H 1 105 ASP HA 6.000 . 6.000 4.721 4.369 4.967 . 0 0 "[ . 1 .]" 1
310 1 50 HIS HA 1 51 SER H 2.300 . 3.000 2.152 2.115 2.304 . 0 0 "[ . 1 .]" 1
311 1 51 SER HA 1 52 GLN H 2.100 . 2.700 2.164 2.148 2.177 . 0 0 "[ . 1 .]" 1
312 1 51 SER HA 1 103 THR HA 2.300 . 3.000 2.865 2.669 2.951 . 0 0 "[ . 1 .]" 1
313 1 51 SER HA 1 103 THR MG 4.600 . 6.000 3.786 3.324 4.750 . 0 0 "[ . 1 .]" 1
314 1 51 SER HA 1 104 PHE H 6.000 . 6.000 4.664 4.339 4.881 . 0 0 "[ . 1 .]" 1
315 1 51 SER HB2 1 52 GLN H 4.800 . 6.000 4.184 3.755 4.597 . 0 0 "[ . 1 .]" 1
316 1 51 SER HB2 1 103 THR HA 5.000 . 6.000 4.929 3.927 5.568 . 0 0 "[ . 1 .]" 1
317 1 51 SER HB2 1 103 THR MG 2.600 . 3.500 4.361 2.921 5.492 1.992 6 10 "[* -**+ **** *]" 1
318 1 52 GLN H 1 52 GLN HA 2.800 . 3.800 2.942 2.930 2.948 . 0 0 "[ . 1 .]" 1
319 1 52 GLN H 1 102 VAL H 2.900 . 3.900 3.100 2.746 3.547 . 0 0 "[ . 1 .]" 1
320 1 52 GLN H 1 103 THR HA 5.000 . 6.000 4.170 3.802 4.579 . 0 0 "[ . 1 .]" 1
321 1 52 GLN HA 1 53 VAL H 2.100 . 2.600 2.356 2.210 2.435 . 0 0 "[ . 1 .]" 1
322 1 52 GLN HB2 1 53 VAL H 3.900 . 5.800 3.642 2.584 4.247 . 0 0 "[ . 1 .]" 1
323 1 53 VAL H 1 53 VAL HB 2.600 . 3.400 2.929 2.509 3.299 . 0 0 "[ . 1 .]" 1
324 1 53 VAL H 1 53 VAL QG 3.500 . 5.000 2.153 1.750 2.796 0.250 5 0 "[ . 1 .]" 1
325 1 53 VAL HA 1 54 PHE H 2.000 . 2.500 2.156 2.128 2.200 . 0 0 "[ . 1 .]" 1
326 1 53 VAL HA 1 102 VAL H 4.200 . 6.000 3.730 3.062 4.142 . 0 0 "[ . 1 .]" 1
327 1 53 VAL HB 1 54 PHE H 6.000 . 6.000 4.261 4.031 4.435 . 0 0 "[ . 1 .]" 1
328 1 53 VAL QG 1 54 PHE H 2.800 . 3.800 2.965 2.718 3.278 . 0 0 "[ . 1 .]" 1
329 1 53 VAL QG 1 100 ILE H 2.800 . 3.800 3.103 2.452 4.061 0.261 15 0 "[ . 1 .]" 1
330 1 54 PHE H 1 54 PHE HB2 3.800 . 5.600 2.876 2.298 4.031 . 0 0 "[ . 1 .]" 1
331 1 54 PHE H 1 54 PHE QD 4.700 . 6.000 2.976 2.102 3.805 . 0 0 "[ . 1 .]" 1
332 1 54 PHE H 1 100 ILE H 3.700 . 5.400 3.742 3.034 4.466 . 0 0 "[ . 1 .]" 1
333 1 54 PHE HA 1 55 SER H 2.600 . 3.400 2.353 2.160 2.449 . 0 0 "[ . 1 .]" 1
334 1 54 PHE HB2 1 55 SER H 3.900 . 5.800 3.637 2.325 4.173 . 0 0 "[ . 1 .]" 1
335 1 54 PHE HB2 2 4 LEU MD1 6.000 . 6.000 3.753 2.270 6.137 0.137 14 0 "[ . 1 .]" 1
336 1 54 PHE QD 1 102 VAL HB 3.300 . 4.600 4.237 2.642 4.898 0.298 14 0 "[ . 1 .]" 1
337 1 55 SER H 2 3 LEU QD . . 4.000 3.794 2.492 4.982 0.982 13 2 "[ .- 1 + .]" 1
338 1 55 SER H 2 3 LEU HG 6.000 . 6.000 4.709 3.808 6.037 0.037 1 0 "[ . 1 .]" 1
339 1 55 SER H 2 4 LEU HG 6.000 . 6.000 5.235 4.225 6.061 0.061 14 0 "[ . 1 .]" 1
340 1 55 SER HA 1 56 THR H 3.000 . 4.100 2.377 2.217 2.458 . 0 0 "[ . 1 .]" 1
341 1 55 SER HA 1 100 ILE H 4.700 . 6.000 4.219 3.140 6.097 0.097 14 0 "[ . 1 .]" 1
342 1 55 SER HB2 1 56 THR H 5.100 . 6.000 3.574 2.449 4.640 . 0 0 "[ . 1 .]" 1
343 1 55 SER HB2 1 65 THR H 5.200 . 6.000 9.781 5.878 11.848 5.848 3 13 "[**+-******** *]" 1
344 1 56 THR H 1 56 THR MG 3.500 . 5.100 3.272 2.688 4.039 . 0 0 "[ . 1 .]" 1
345 1 56 THR H 1 67 HIS HB2 4.600 . 6.000 14.093 11.592 15.708 9.708 15 15 [************-*+] 1
346 1 56 THR H 1 95 ARG H 5.900 . 6.000 5.664 3.908 6.116 0.116 13 0 "[ . 1 .]" 1
347 1 56 THR H 1 96 GLY H 4.500 . 6.000 4.104 3.012 5.063 . 0 0 "[ . 1 .]" 1
348 1 56 THR H 2 3 LEU QD 3.100 . 4.300 3.898 1.950 4.523 0.223 10 0 "[ . 1 .]" 1
349 1 56 THR HA 1 56 THR MG 2.100 . 2.700 2.806 2.096 3.117 0.417 12 0 "[ . 1 .]" 1
350 1 56 THR HA 1 57 ALA H 2.100 . 2.600 2.357 2.152 2.453 . 0 0 "[ . 1 .]" 1
351 1 56 THR HA 1 57 ALA MB 6.000 . 6.000 3.873 3.750 4.067 . 0 0 "[ . 1 .]" 1
352 1 56 THR HA 1 64 VAL HB 4.400 . 6.000 5.882 5.000 6.119 0.119 10 0 "[ . 1 .]" 1
353 1 56 THR HA 1 64 VAL QG 3.100 . 4.300 3.575 2.951 4.175 . 0 0 "[ . 1 .]" 1
354 1 56 THR HB 1 56 THR MG 2.100 . 2.700 2.123 2.097 2.135 . 0 0 "[ . 1 .]" 1
355 1 56 THR HB 1 57 ALA H 3.300 . 4.700 3.991 3.720 4.159 . 0 0 "[ . 1 .]" 1
356 1 56 THR HB 1 64 VAL QG 6.000 . 6.000 4.055 2.920 5.893 . 0 0 "[ . 1 .]" 1
357 1 56 THR HB 1 95 ARG HA 6.000 . 6.000 4.537 1.797 6.023 0.023 5 0 "[ . 1 .]" 1
358 1 56 THR MG 1 57 ALA H 4.100 . 6.000 2.449 1.996 3.190 0.004 15 0 "[ . 1 .]" 1
359 1 56 THR MG 1 57 ALA HA 2.700 . 3.600 3.197 2.986 4.501 0.901 14 1 "[ . 1 +.]" 1
360 1 56 THR MG 1 61 GLN H 6.000 . 6.000 4.555 3.779 5.790 . 0 0 "[ . 1 .]" 1
361 1 56 THR MG 1 64 VAL QG 2.400 . 3.100 3.752 3.316 3.921 0.821 4 11 "[** +** -***** .]" 1
362 1 56 THR MG 1 90 ILE MD 2.500 . 3.300 3.199 2.615 3.394 0.094 8 0 "[ . 1 .]" 1
363 1 56 THR MG 1 90 ILE HG12 4.300 . 6.000 5.437 4.451 5.885 . 0 0 "[ . 1 .]" 1
364 1 56 THR MG 1 90 ILE MG 3.100 . 4.300 3.335 2.374 3.583 . 0 0 "[ . 1 .]" 1
365 1 57 ALA H 1 57 ALA HA 2.800 . 3.800 2.903 2.823 2.931 . 0 0 "[ . 1 .]" 1
366 1 57 ALA H 1 57 ALA MB 2.500 . 3.300 2.567 2.334 2.848 . 0 0 "[ . 1 .]" 1
367 1 57 ALA H 1 58 GLU H 3.000 . 4.100 4.312 3.703 4.450 0.350 5 0 "[ . 1 .]" 1
368 1 57 ALA H 2 4 LEU H 4.100 . 6.000 3.740 2.820 5.043 . 0 0 "[ . 1 .]" 1
369 1 57 ALA H 2 4 LEU MD2 5.100 . 6.000 5.783 5.098 6.388 0.388 2 0 "[ . 1 .]" 1
370 1 57 ALA HA 1 57 ALA MB 2.100 . 2.600 2.106 2.085 2.131 . 0 0 "[ . 1 .]" 1
371 1 57 ALA HA 1 58 GLU H 2.600 . 3.400 2.330 2.176 2.408 . 0 0 "[ . 1 .]" 1
372 1 57 ALA HA 2 3 LEU QD 5.600 . 6.000 3.090 2.192 5.209 . 0 0 "[ . 1 .]" 1
373 1 57 ALA MB 1 58 GLU H 2.900 . 4.000 2.628 2.306 3.485 . 0 0 "[ . 1 .]" 1
374 1 57 ALA MB 2 3 LEU QD 6.000 . 6.000 2.311 1.639 3.512 . 0 0 "[ . 1 .]" 1
375 1 57 ALA MB 2 5 LEU QD . . 3.800 2.409 1.786 3.954 0.154 10 0 "[ . 1 .]" 1
376 1 57 ALA MB 2 5 LEU HG 6.000 . 6.000 3.603 1.739 5.469 . 0 0 "[ . 1 .]" 1
377 1 58 GLU H 1 59 ASP H 6.000 . 6.000 3.400 1.949 4.580 . 0 0 "[ . 1 .]" 1
378 1 58 GLU H 1 59 ASP HA 6.000 . 6.000 5.000 4.114 5.602 . 0 0 "[ . 1 .]" 1
379 1 58 GLU H 2 5 LEU QD 6.000 . 6.000 3.915 3.014 5.349 . 0 0 "[ . 1 .]" 1
380 1 58 GLU HA 1 59 ASP H 2.100 . 2.600 2.268 2.112 2.804 0.204 14 0 "[ . 1 .]" 1
381 1 59 ASP H 1 59 ASP HA 2.800 . 3.800 2.668 2.276 2.820 . 0 0 "[ . 1 .]" 1
382 1 59 ASP HA 1 60 ASN H 2.800 . 3.800 2.375 2.153 3.104 . 0 0 "[ . 1 .]" 1
383 1 60 ASN H 1 60 ASN HA 2.300 . 2.900 2.387 2.253 2.903 0.003 10 0 "[ . 1 .]" 1
384 1 60 ASN H 1 61 GLN H 2.900 . 4.000 2.683 2.332 4.539 0.539 14 1 "[ . 1 +.]" 1
385 1 60 ASN H 1 62 SER HA 4.600 . 6.000 6.306 6.051 8.551 2.551 14 1 "[ . 1 +.]" 1
386 1 60 ASN H 1 93 ALA H 5.700 . 6.000 3.046 1.938 5.510 . 0 0 "[ . 1 .]" 1
387 1 60 ASN HA 1 61 GLN H 3.000 . 4.100 2.892 2.264 3.494 . 0 0 "[ . 1 .]" 1
388 1 60 ASN HA 1 93 ALA H 2.300 . 3.000 2.897 2.729 4.682 1.682 14 1 "[ . 1 +.]" 1
389 1 61 GLN H 1 62 SER HA 4.400 . 6.000 4.568 3.829 5.241 . 0 0 "[ . 1 .]" 1
390 1 61 GLN H 1 91 ASN HA 3.700 . 5.500 5.240 5.070 5.349 . 0 0 "[ . 1 .]" 1
391 1 61 GLN HA 1 62 SER H 2.400 . 3.100 2.976 2.234 3.489 0.389 3 0 "[ . 1 .]" 1
392 1 61 GLN HA 1 63 ALA H 4.900 . 6.000 3.598 2.963 4.305 . 0 0 "[ . 1 .]" 1
393 1 62 SER H 1 62 SER HA 2.800 . 3.800 2.470 2.255 2.797 . 0 0 "[ . 1 .]" 1
394 1 62 SER H 1 63 ALA H 2.500 . 3.300 2.825 2.716 3.286 . 0 0 "[ . 1 .]" 1
395 1 62 SER HA 1 63 ALA H 4.600 . 6.000 3.223 2.857 3.562 . 0 0 "[ . 1 .]" 1
396 1 63 ALA H 1 63 ALA MB 2.900 . 3.900 2.646 2.235 2.821 . 0 0 "[ . 1 .]" 1
397 1 63 ALA HA 1 63 ALA MB 2.400 . 3.100 2.108 2.088 2.127 . 0 0 "[ . 1 .]" 1
398 1 63 ALA HA 1 64 VAL H 2.300 . 2.900 2.249 2.162 2.506 . 0 0 "[ . 1 .]" 1
399 1 63 ALA HA 1 88 ASP HA 2.300 . 3.000 1.843 1.550 2.222 0.050 6 0 "[ . 1 .]" 1
400 1 63 ALA HA 1 90 ILE MD 3.300 . 4.700 2.985 2.196 3.876 . 0 0 "[ . 1 .]" 1
401 1 63 ALA MB 1 64 VAL H 2.700 . 3.600 2.947 2.461 3.149 . 0 0 "[ . 1 .]" 1
402 1 63 ALA MB 1 86 ASN HB2 3.600 . 5.200 4.948 3.380 6.048 0.848 9 2 "[ - . +1 .]" 1
403 1 63 ALA MB 1 87 LEU H 5.700 . 6.000 3.651 2.702 4.346 . 0 0 "[ . 1 .]" 1
404 1 63 ALA MB 1 88 ASP HA 2.600 . 3.400 2.440 1.955 2.936 . 0 0 "[ . 1 .]" 1
405 1 63 ALA MB 1 88 ASP HB2 4.100 . 6.000 3.615 2.325 4.612 . 0 0 "[ . 1 .]" 1
406 1 63 ALA MB 1 89 GLY H 4.700 . 6.000 3.890 3.367 4.464 . 0 0 "[ . 1 .]" 1
407 1 63 ALA MB 1 90 ILE MD 6.000 . 6.000 4.067 3.626 4.906 . 0 0 "[ . 1 .]" 1
408 1 64 VAL H 1 64 VAL QG 3.000 . 4.100 2.439 2.141 2.864 . 0 0 "[ . 1 .]" 1
409 1 64 VAL H 1 87 LEU H 2.600 . 3.500 3.363 2.208 3.861 0.361 3 0 "[ . 1 .]" 1
410 1 64 VAL H 1 88 ASP HA 3.900 . 5.800 3.496 3.040 4.213 . 0 0 "[ . 1 .]" 1
411 1 64 VAL H 1 100 ILE MD 5.100 . 6.000 4.952 4.093 5.698 . 0 0 "[ . 1 .]" 1
412 1 64 VAL H 2 6 THR MG 3.000 . 4.100 4.319 4.152 4.422 0.322 10 0 "[ . 1 .]" 1
413 1 64 VAL HA 1 64 VAL HB 2.400 . 3.100 2.608 2.499 2.802 . 0 0 "[ . 1 .]" 1
414 1 64 VAL HA 1 64 VAL QG 2.300 . 2.900 2.142 1.948 2.292 . 0 0 "[ . 1 .]" 1
415 1 64 VAL HA 1 65 THR H 2.000 . 2.500 2.266 2.166 2.334 . 0 0 "[ . 1 .]" 1
416 1 64 VAL HA 2 4 LEU MD1 6.000 . 6.000 4.794 3.558 6.266 0.266 8 0 "[ . 1 .]" 1
417 1 64 VAL HB 1 64 VAL QG 2.100 . 2.600 1.880 1.864 1.896 . 0 0 "[ . 1 .]" 1
418 1 64 VAL HB 1 65 THR H 3.600 . 5.200 4.196 4.032 4.439 . 0 0 "[ . 1 .]" 1
419 1 64 VAL HB 1 65 THR HA 4.900 . 6.000 5.825 5.702 5.879 . 0 0 "[ . 1 .]" 1
420 1 64 VAL HB 1 66 ILE MD 4.400 . 6.000 4.939 4.540 5.202 . 0 0 "[ . 1 .]" 1
421 1 64 VAL HB 1 90 ILE MD 2.600 . 3.400 2.114 1.764 2.900 0.036 13 0 "[ . 1 .]" 1
422 1 64 VAL HB 1 100 ILE HG12 3.700 . 5.400 3.678 2.741 4.379 . 0 0 "[ . 1 .]" 1
423 1 64 VAL QG 1 65 THR H 3.900 . 5.800 2.214 1.811 2.641 0.189 5 0 "[ . 1 .]" 1
424 1 64 VAL QG 1 66 ILE MD . . 3.000 2.442 2.063 2.657 . 0 0 "[ . 1 .]" 1
425 1 64 VAL QG 1 66 ILE MG 3.700 . 5.400 4.218 4.053 4.332 . 0 0 "[ . 1 .]" 1
426 1 64 VAL QG 1 87 LEU H 4.300 . 6.000 3.159 2.530 3.515 . 0 0 "[ . 1 .]" 1
427 1 64 VAL QG 1 87 LEU HA 3.600 . 5.200 4.159 3.982 4.336 . 0 0 "[ . 1 .]" 1
428 1 64 VAL QG 1 90 ILE MD 3.000 . 4.100 2.680 2.079 3.245 . 0 0 "[ . 1 .]" 1
429 1 64 VAL QG 1 116 ALA HA 6.000 . 6.000 4.540 4.298 4.681 . 0 0 "[ . 1 .]" 1
430 1 64 VAL QG 1 116 ALA MB . . 3.300 2.383 2.266 2.463 . 0 0 "[ . 1 .]" 1
431 1 64 VAL QG 1 117 LYS H 3.000 . 4.200 4.852 3.810 5.102 0.902 15 12 "[****-*** ** *+]" 1
432 1 64 VAL QG 1 124 GLU HA 4.800 . 6.000 5.932 5.730 6.656 0.656 12 1 "[ . 1 + .]" 1
433 1 64 VAL QG 2 4 LEU MD1 6.000 . 6.000 2.337 1.720 3.711 . 0 0 "[ . 1 .]" 1
434 1 64 VAL QG 2 4 LEU MD2 4.200 . 6.000 3.096 2.033 3.989 . 0 0 "[ . 1 .]" 1
435 1 65 THR H 1 65 THR HA 2.200 . 2.800 2.938 2.929 2.947 0.147 2 0 "[ . 1 .]" 1
436 1 65 THR H 1 65 THR HB 2.300 . 3.000 2.952 2.604 3.141 0.141 5 0 "[ . 1 .]" 1
437 1 65 THR H 1 65 THR MG 4.600 . 6.000 3.814 3.728 3.865 . 0 0 "[ . 1 .]" 1
438 1 65 THR HA 1 65 THR MG 2.400 . 3.100 2.149 2.068 2.309 . 0 0 "[ . 1 .]" 1
439 1 65 THR HA 1 66 ILE H 2.100 . 2.700 2.124 2.086 2.159 . 0 0 "[ . 1 .]" 1
440 1 65 THR HA 1 86 ASN H 5.000 . 6.000 5.925 5.655 6.061 0.061 5 0 "[ . 1 .]" 1
441 1 65 THR HA 1 86 ASN HA 3.900 . 5.800 3.575 3.036 4.139 . 0 0 "[ . 1 .]" 1
442 1 65 THR HA 1 87 LEU H 5.900 . 6.000 3.801 3.128 4.817 . 0 0 "[ . 1 .]" 1
443 1 65 THR HB 1 65 THR MG 2.000 . 2.500 2.119 2.091 2.136 . 0 0 "[ . 1 .]" 1
444 1 65 THR HB 1 66 ILE H 6.000 . 6.000 4.083 3.756 4.358 . 0 0 "[ . 1 .]" 1
445 1 65 THR MG 1 66 ILE H 2.500 . 3.300 3.058 2.770 3.393 0.093 5 0 "[ . 1 .]" 1
446 1 65 THR MG 1 67 HIS HA 3.300 . 4.700 4.569 4.089 4.798 0.098 10 0 "[ . 1 .]" 1
447 1 65 THR MG 1 67 HIS HB2 6.000 . 6.000 3.420 2.862 5.250 . 0 0 "[ . 1 .]" 1
448 1 65 THR MG 1 85 PHE H 4.300 . 6.000 4.234 3.557 5.028 . 0 0 "[ . 1 .]" 1
449 1 66 ILE H 1 66 ILE MD 5.400 . 6.000 3.774 3.499 3.965 . 0 0 "[ . 1 .]" 1
450 1 66 ILE H 1 66 ILE HG12 3.500 . 5.000 2.774 2.541 3.005 . 0 0 "[ . 1 .]" 1
451 1 66 ILE H 1 66 ILE MG 5.000 . 6.000 3.829 3.769 3.879 . 0 0 "[ . 1 .]" 1
452 1 66 ILE H 1 67 HIS HB2 4.100 . 6.000 5.111 4.808 6.115 0.115 10 0 "[ . 1 .]" 1
453 1 66 ILE H 1 85 PHE H 3.300 . 4.700 3.659 2.700 4.174 . 0 0 "[ . 1 .]" 1
454 1 66 ILE H 1 86 ASN HA 4.000 . 6.000 4.039 3.032 4.857 . 0 0 "[ . 1 .]" 1
455 1 66 ILE HA 1 66 ILE HB 3.000 . 4.100 3.023 3.017 3.029 . 0 0 "[ . 1 .]" 1
456 1 66 ILE HA 1 66 ILE MD 2.400 . 3.100 2.155 1.884 2.455 . 0 0 "[ . 1 .]" 1
457 1 66 ILE HA 1 66 ILE HG12 3.100 . 4.300 2.998 2.843 3.144 . 0 0 "[ . 1 .]" 1
458 1 66 ILE HA 1 66 ILE MG 2.300 . 3.000 2.376 2.253 2.500 . 0 0 "[ . 1 .]" 1
459 1 66 ILE HA 1 67 HIS H 2.400 . 3.100 2.133 2.106 2.153 . 0 0 "[ . 1 .]" 1
460 1 66 ILE HB 1 66 ILE MD 3.000 . 4.100 3.225 3.198 3.233 . 0 0 "[ . 1 .]" 1
461 1 66 ILE HB 1 66 ILE MG 2.000 . 2.500 2.122 2.094 2.135 . 0 0 "[ . 1 .]" 1
462 1 66 ILE HB 1 85 PHE H 4.300 . 6.000 3.938 2.770 4.233 . 0 0 "[ . 1 .]" 1
463 1 66 ILE HB 1 114 VAL HB 4.300 . 6.000 5.559 5.015 5.801 . 0 0 "[ . 1 .]" 1
464 1 66 ILE HB 1 116 ALA MB 2.000 . 2.500 3.649 3.349 3.949 1.449 11 15 [***-******+****] 1
465 1 66 ILE MD 1 66 ILE HG12 2.200 . 2.800 2.091 2.073 2.119 . 0 0 "[ . 1 .]" 1
466 1 66 ILE MD 1 66 ILE MG 2.200 . 2.800 1.950 1.737 2.134 . 0 0 "[ . 1 .]" 1
467 1 66 ILE MD 1 100 ILE MG 2.300 . 3.000 2.609 2.022 2.981 . 0 0 "[ . 1 .]" 1
468 1 66 ILE MD 1 102 VAL QG 3.300 . 3.600 2.615 2.053 3.135 . 0 0 "[ . 1 .]" 1
469 1 66 ILE MD 1 116 ALA MB 2.500 . 3.300 2.515 1.882 3.063 . 0 0 "[ . 1 .]" 1
470 1 66 ILE MD 2 4 LEU MD1 6.000 . 6.000 2.355 1.791 3.161 . 0 0 "[ . 1 .]" 1
471 1 66 ILE MD 2 4 LEU MD2 6.000 . 6.000 2.504 1.532 3.991 . 0 0 "[ . 1 .]" 1
472 1 66 ILE HG12 1 66 ILE MG 2.900 . 4.000 3.200 3.176 3.214 . 0 0 "[ . 1 .]" 1
473 1 66 ILE HG12 1 85 PHE H 6.000 . 6.000 5.821 4.527 6.120 0.120 6 0 "[ . 1 .]" 1
474 1 66 ILE HG12 1 114 VAL QG 3.400 . 4.900 5.072 4.805 5.164 0.264 7 0 "[ . 1 .]" 1
475 1 66 ILE HG12 1 116 ALA MB 3.100 . 4.300 2.919 2.754 3.165 . 0 0 "[ . 1 .]" 1
476 1 66 ILE MG 1 67 HIS HA 5.000 . 6.000 3.854 3.656 4.042 . 0 0 "[ . 1 .]" 1
477 1 66 ILE MG 1 68 VAL QG 2.100 . 2.700 2.807 2.660 2.887 0.187 6 0 "[ . 1 .]" 1
478 1 66 ILE MG 1 85 PHE QD 3.300 . 4.600 2.911 1.916 4.168 0.084 11 0 "[ . 1 .]" 1
479 1 66 ILE MG 1 102 VAL QG 3.200 . 4.500 2.790 2.219 3.531 . 0 0 "[ . 1 .]" 1
480 1 66 ILE MG 1 114 VAL QG . . 2.200 2.058 1.758 2.701 0.501 7 1 "[ . + 1 .]" 1
481 1 66 ILE MG 1 116 ALA MB 3.800 . 5.600 3.168 2.733 3.419 . 0 0 "[ . 1 .]" 1
482 1 67 HIS H 1 68 VAL H 6.000 . 6.000 4.425 4.317 4.466 . 0 0 "[ . 1 .]" 1
483 1 67 HIS H 1 68 VAL QG 5.200 . 6.000 4.503 4.402 4.627 . 0 0 "[ . 1 .]" 1
484 1 67 HIS HA 1 68 VAL H 2.000 . 2.500 2.181 2.125 2.229 . 0 0 "[ . 1 .]" 1
485 1 67 HIS HA 1 69 LEU QD 3.800 . 5.600 5.288 3.698 5.761 0.161 1 0 "[ . 1 .]" 1
486 1 67 HIS HA 1 84 GLN HA 2.600 . 3.500 2.470 2.058 3.137 . 0 0 "[ . 1 .]" 1
487 1 67 HIS HA 1 84 GLN HB2 3.800 . 5.600 4.616 3.226 5.442 . 0 0 "[ . 1 .]" 1
488 1 68 VAL H 1 68 VAL HA 2.600 . 3.400 2.908 2.901 2.925 . 0 0 "[ . 1 .]" 1
489 1 68 VAL H 1 68 VAL HB 2.400 . 3.100 3.463 3.198 3.529 0.429 12 0 "[ . 1 .]" 1
490 1 68 VAL H 1 68 VAL QG 2.200 . 2.800 1.780 1.569 1.962 0.031 5 0 "[ . 1 .]" 1
491 1 68 VAL H 1 82 LEU H 5.700 . 6.000 5.031 4.159 6.045 0.045 13 0 "[ . 1 .]" 1
492 1 68 VAL H 1 83 GLY H 4.100 . 6.000 3.041 2.776 3.965 . 0 0 "[ . 1 .]" 1
493 1 68 VAL H 1 84 GLN HA 5.100 . 6.000 3.293 2.650 3.936 . 0 0 "[ . 1 .]" 1
494 1 68 VAL H 1 85 PHE QD 4.700 . 6.000 4.854 4.133 5.548 . 0 0 "[ . 1 .]" 1
495 1 68 VAL HA 1 68 VAL HB 2.500 . 3.300 2.645 2.185 2.886 . 0 0 "[ . 1 .]" 1
496 1 68 VAL HA 1 68 VAL QG 2.100 . 2.700 2.096 2.001 2.609 . 0 0 "[ . 1 .]" 1
497 1 68 VAL HA 1 69 LEU H 2.000 . 2.500 2.083 2.048 2.104 . 0 0 "[ . 1 .]" 1
498 1 68 VAL HA 1 112 LEU QD 6.000 . 6.000 4.793 4.452 5.078 . 0 0 "[ . 1 .]" 1
499 1 68 VAL HB 1 68 VAL QG 1.800 . 2.200 1.881 1.860 1.891 . 0 0 "[ . 1 .]" 1
500 1 68 VAL HB 1 69 LEU HA 4.700 . 6.000 4.663 4.410 5.698 . 0 0 "[ . 1 .]" 1
501 1 68 VAL HB 1 82 LEU QD 3.300 . 4.600 1.678 1.409 3.465 0.591 5 9 "[****+* * 1- *.]" 1
502 1 68 VAL QG 1 69 LEU H 3.400 . 4.900 3.470 3.220 3.548 . 0 0 "[ . 1 .]" 1
503 1 68 VAL QG 1 82 LEU H 6.000 . 6.000 3.727 3.491 4.190 . 0 0 "[ . 1 .]" 1
504 1 68 VAL QG 1 82 LEU QD 3.000 . 4.100 2.328 1.650 2.517 0.250 13 0 "[ . 1 .]" 1
505 1 68 VAL QG 1 83 GLY H 3.900 . 5.800 1.539 1.295 2.617 0.705 3 12 "[**+***-* 1** **]" 1
506 1 68 VAL QG 1 84 GLN HA 3.200 . 4.400 3.447 3.024 3.711 . 0 0 "[ . 1 .]" 1
507 1 68 VAL QG 1 85 PHE QD 2.700 . 3.600 3.351 2.783 3.798 0.198 13 0 "[ . 1 .]" 1
508 1 68 VAL QG 1 104 PHE QD 4.400 . 6.000 3.614 2.847 5.175 . 0 0 "[ . 1 .]" 1
509 1 68 VAL QG 1 114 VAL QG 2.400 . 3.100 1.774 1.428 2.280 0.272 9 0 "[ . 1 .]" 1
510 1 69 LEU H 1 69 LEU HG 3.600 . 5.200 4.474 3.858 4.685 . 0 0 "[ . 1 .]" 1
511 1 69 LEU HA 1 69 LEU QD 2.900 . 3.900 2.019 1.786 2.613 0.214 6 0 "[ . 1 .]" 1
512 1 69 LEU HA 1 69 LEU HG 3.000 . 4.100 3.199 2.171 3.650 . 0 0 "[ . 1 .]" 1
513 1 69 LEU HA 1 70 GLN H 2.100 . 2.700 2.222 2.103 2.469 . 0 0 "[ . 1 .]" 1
514 1 69 LEU HA 1 76 ALA MB 6.000 . 6.000 5.479 4.719 5.832 . 0 0 "[ . 1 .]" 1
515 1 69 LEU HA 1 81 SER HA 2.600 . 3.500 2.613 2.284 3.297 . 0 0 "[ . 1 .]" 1
516 1 69 LEU HA 1 82 LEU H 3.400 . 4.800 2.692 2.409 3.311 . 0 0 "[ . 1 .]" 1
517 1 69 LEU HA 1 82 LEU QD 3.900 . 5.800 2.882 2.511 3.193 . 0 0 "[ . 1 .]" 1
518 1 69 LEU HA 1 82 LEU HG 6.000 . 6.000 4.079 3.604 5.967 . 0 0 "[ . 1 .]" 1
519 1 69 LEU MD1 1 69 LEU MD2 2.000 . 2.500 2.006 1.875 2.087 . 0 0 "[ . 1 .]" 1
520 1 69 LEU QD 1 69 LEU HG 2.100 . 2.300 1.870 1.854 1.888 . 0 0 "[ . 1 .]" 1
521 1 69 LEU QD 1 70 GLN H 5.300 . 6.000 2.560 1.892 4.054 . 0 0 "[ . 1 .]" 1
522 1 69 LEU QD 1 76 ALA HA 3.600 . 5.200 3.413 2.755 4.011 . 0 0 "[ . 1 .]" 1
523 1 69 LEU QD 1 76 ALA MB 2.200 . 2.800 2.078 1.697 2.480 . 0 0 "[ . 1 .]" 1
524 1 69 LEU QD 1 79 ASN HB2 4.600 . 6.000 3.160 1.872 4.687 0.028 12 0 "[ . 1 .]" 1
525 1 69 LEU QD 1 81 SER HA . . 2.200 2.157 1.844 2.912 0.712 10 1 "[ . + .]" 1
526 1 69 LEU QD 1 82 LEU H 6.000 . 6.000 3.410 3.044 4.232 . 0 0 "[ . 1 .]" 1
527 1 69 LEU HG 1 70 GLN H 3.500 . 5.100 4.295 2.587 4.809 . 0 0 "[ . 1 .]" 1
528 1 70 GLN H 1 70 GLN HB2 3.200 . 4.500 3.299 2.927 3.717 . 0 0 "[ . 1 .]" 1
529 1 70 GLN H 1 80 LYS H 4.300 . 6.000 4.146 2.500 5.322 . 0 0 "[ . 1 .]" 1
530 1 70 GLN H 1 82 LEU QD 4.600 . 6.000 2.684 2.277 3.611 . 0 0 "[ . 1 .]" 1
531 1 70 GLN HA 1 70 GLN HB2 2.400 . 3.100 2.365 2.219 2.489 . 0 0 "[ . 1 .]" 1
532 1 70 GLN HA 1 71 GLY H 2.000 . 2.500 2.175 2.107 2.530 0.030 6 0 "[ . 1 .]" 1
533 1 70 GLN HA 1 82 LEU QD 6.000 . 6.000 2.936 2.757 3.285 . 0 0 "[ . 1 .]" 1
534 1 70 GLN HB2 1 71 GLY H 3.800 . 5.600 4.160 3.012 4.416 . 0 0 "[ . 1 .]" 1
535 1 70 GLN HB2 1 82 LEU QD 2.600 . 3.400 2.071 1.567 3.295 0.233 10 0 "[ . 1 .]" 1
536 1 71 GLY H 1 71 GLY QA 3.700 . 4.000 2.480 2.251 2.499 . 0 0 "[ . 1 .]" 1
537 1 71 GLY H 1 82 LEU HG 5.900 . 6.000 6.347 6.044 7.903 1.903 13 2 "[ . - + .]" 1
538 1 71 GLY QA 1 72 GLU H 2.600 . 3.500 2.246 2.052 2.284 . 0 0 "[ . 1 .]" 1
539 1 72 GLU H 1 72 GLU HA 2.900 . 4.000 2.937 2.830 2.953 . 0 0 "[ . 1 .]" 1
540 1 72 GLU H 1 73 ARG H 2.900 . 4.000 3.943 3.744 4.247 0.247 6 0 "[ . 1 .]" 1
541 1 72 GLU H 1 79 ASN HB2 3.600 . 5.300 5.298 4.368 8.422 3.122 10 5 "[ - . +** *.]" 1
542 1 72 GLU HA 1 73 ARG H 2.700 . 3.600 2.191 2.162 2.453 . 0 0 "[ . 1 .]" 1
543 1 75 ARG H 1 76 ALA H 6.000 . 6.000 4.273 3.218 4.555 . 0 0 "[ . 1 .]" 1
544 1 75 ARG HA 1 76 ALA H 1.800 . 2.200 2.336 2.139 2.543 0.343 12 0 "[ . 1 .]" 1
545 1 76 ALA H 1 76 ALA HA 3.000 . 4.100 2.790 2.282 2.949 . 0 0 "[ . 1 .]" 1
546 1 76 ALA H 1 76 ALA MB 2.100 . 2.600 2.322 2.068 3.027 0.427 11 0 "[ . 1 .]" 1
547 1 76 ALA HA 1 76 ALA MB 2.100 . 2.700 2.107 2.090 2.126 . 0 0 "[ . 1 .]" 1
548 1 76 ALA HA 1 77 ALA H 4.300 . 6.000 2.614 2.131 3.428 . 0 0 "[ . 1 .]" 1
549 1 76 ALA MB 1 77 ALA H 3.000 . 4.100 3.178 1.777 3.687 0.123 1 0 "[ . 1 .]" 1
550 1 76 ALA MB 1 79 ASN HB2 4.900 . 6.000 4.683 3.121 5.999 . 0 0 "[ . 1 .]" 1
551 1 77 ALA H 1 77 ALA HA 2.700 . 3.600 2.681 2.269 2.932 . 0 0 "[ . 1 .]" 1
552 1 77 ALA H 1 77 ALA MB 2.300 . 3.000 2.501 2.064 3.014 0.014 11 0 "[ . 1 .]" 1
553 1 77 ALA H 1 78 ASP H 2.100 . 2.700 2.519 1.596 3.515 0.815 7 1 "[ . + 1 .]" 1
554 1 77 ALA H 1 79 ASN H 5.700 . 6.000 3.950 2.629 5.368 . 0 0 "[ . 1 .]" 1
555 1 77 ALA H 1 79 ASN HB2 4.700 . 6.000 5.126 4.061 5.867 . 0 0 "[ . 1 .]" 1
556 1 77 ALA HA 1 77 ALA MB 2.300 . 3.000 2.099 2.075 2.129 . 0 0 "[ . 1 .]" 1
557 1 77 ALA HA 1 78 ASP H 4.900 . 6.000 3.176 2.449 3.568 . 0 0 "[ . 1 .]" 1
558 1 77 ALA HA 1 79 ASN H 5.800 . 6.000 4.605 3.592 5.732 . 0 0 "[ . 1 .]" 1
559 1 77 ALA MB 1 78 ASP H 3.100 . 4.300 3.288 2.046 3.679 . 0 0 "[ . 1 .]" 1
560 1 78 ASP H 1 79 ASN H 2.000 . 2.500 2.177 1.662 2.861 0.361 10 0 "[ . 1 .]" 1
561 1 78 ASP HA 1 79 ASN H 4.100 . 6.000 3.040 2.367 3.558 . 0 0 "[ . 1 .]" 1
562 1 79 ASN H 1 79 ASN HA 2.700 . 3.600 2.771 2.272 2.947 . 0 0 "[ . 1 .]" 1
563 1 79 ASN H 1 79 ASN HB2 3.000 . 4.100 2.940 2.103 3.769 . 0 0 "[ . 1 .]" 1
564 1 79 ASN H 1 80 LYS H 6.000 . 6.000 4.119 2.654 4.637 . 0 0 "[ . 1 .]" 1
565 1 79 ASN HA 1 79 ASN HB2 3.000 . 4.100 2.700 2.405 3.013 . 0 0 "[ . 1 .]" 1
566 1 79 ASN HA 1 80 LYS H 2.500 . 3.300 2.905 2.353 3.567 0.267 9 0 "[ . 1 .]" 1
567 1 79 ASN HB2 1 80 LYS H 3.000 . 4.100 3.067 1.919 3.663 . 0 0 "[ . 1 .]" 1
568 1 80 LYS HA 1 80 LYS HG2 3.400 . 4.900 3.851 3.720 3.978 . 0 0 "[ . 1 .]" 1
569 1 80 LYS HA 1 81 SER H 2.100 . 2.700 2.166 2.127 2.220 . 0 0 "[ . 1 .]" 1
570 1 80 LYS HG2 1 81 SER H 6.000 . 6.000 5.004 4.449 5.340 . 0 0 "[ . 1 .]" 1
571 1 81 SER H 1 81 SER HA 2.700 . 3.600 2.875 2.798 2.931 . 0 0 "[ . 1 .]" 1
572 1 81 SER HA 1 82 LEU H 2.000 . 2.500 2.229 2.168 2.399 . 0 0 "[ . 1 .]" 1
573 1 82 LEU H 1 82 LEU HA 2.200 . 2.800 2.752 2.667 2.841 0.041 13 0 "[ . 1 .]" 1
574 1 82 LEU H 1 82 LEU QD 3.600 . 5.200 2.668 1.853 2.908 0.147 10 0 "[ . 1 .]" 1
575 1 82 LEU H 1 82 LEU HG 2.500 . 3.300 2.478 2.115 3.894 0.594 10 1 "[ . + .]" 1
576 1 82 LEU H 1 83 GLY H 2.600 . 3.400 3.082 2.605 3.159 . 0 0 "[ . 1 .]" 1
577 1 82 LEU HA 1 82 LEU QD 2.900 . 3.800 2.666 1.895 3.350 0.005 10 0 "[ . 1 .]" 1
578 1 82 LEU HA 1 82 LEU HG 2.400 . 3.100 2.767 2.634 3.402 0.302 13 0 "[ . 1 .]" 1
579 1 82 LEU HA 1 83 GLY H 3.700 . 5.400 3.552 3.434 3.572 . 0 0 "[ . 1 .]" 1
580 1 82 LEU QD 1 82 LEU HG 2.000 . 2.500 1.882 1.858 1.898 . 0 0 "[ . 1 .]" 1
581 1 82 LEU QD 1 112 LEU QD 3.200 . 4.500 2.252 1.914 2.743 . 0 0 "[ . 1 .]" 1
582 1 82 LEU QD 1 114 VAL QG 5.700 . 6.000 3.805 3.315 4.217 . 0 0 "[ . 1 .]" 1
583 1 82 LEU QD 1 129 ILE HA 5.300 . 6.000 5.669 4.575 5.849 . 0 0 "[ . 1 .]" 1
584 1 82 LEU QD 1 131 ALA MB 2.200 . 2.800 2.570 1.942 3.285 0.485 3 0 "[ . 1 .]" 1
585 1 82 LEU QD 1 132 SER HB2 3.100 . 4.300 4.985 4.155 5.803 1.503 15 10 "[ ****-**** +]" 1
586 1 83 GLY H 1 83 GLY QA 2.500 . 3.300 2.495 2.491 2.500 . 0 0 "[ . 1 .]" 1
587 1 83 GLY QA 1 84 GLN H 2.200 . 2.800 2.263 2.131 2.289 . 0 0 "[ . 1 .]" 1
588 1 84 GLN H 1 84 GLN HB2 3.700 . 5.400 3.263 2.443 3.883 . 0 0 "[ . 1 .]" 1
589 1 84 GLN H 1 85 PHE H 3.900 . 5.800 4.364 3.744 4.512 . 0 0 "[ . 1 .]" 1
590 1 84 GLN HA 1 84 GLN HB2 2.400 . 3.100 2.720 2.375 3.022 . 0 0 "[ . 1 .]" 1
591 1 84 GLN HA 1 85 PHE H 2.200 . 2.800 2.240 2.172 2.356 . 0 0 "[ . 1 .]" 1
592 1 84 GLN HA 1 85 PHE QD 3.500 . 5.000 3.994 3.111 4.487 . 0 0 "[ . 1 .]" 1
593 1 84 GLN HB2 1 85 PHE H 3.300 . 4.700 3.628 2.681 4.198 . 0 0 "[ . 1 .]" 1
594 1 85 PHE H 1 85 PHE QD 4.600 . 6.000 3.224 2.514 3.791 . 0 0 "[ . 1 .]" 1
595 1 85 PHE H 1 87 LEU H 3.600 . 5.200 6.116 6.003 6.246 1.046 15 15 [********-*****+] 1
596 1 85 PHE HA 1 85 PHE QD 4.800 . 6.000 2.924 1.994 3.748 . 0 0 "[ . 1 .]" 1
597 1 85 PHE HA 1 86 ASN H 2.500 . 3.300 2.211 2.115 2.316 . 0 0 "[ . 1 .]" 1
598 1 85 PHE HB2 1 86 ASN H 3.000 . 4.200 3.734 2.864 4.475 0.275 9 0 "[ . 1 .]" 1
599 1 85 PHE QD 1 114 VAL QG 2.700 . 3.600 3.125 2.659 3.593 . 0 0 "[ . 1 .]" 1
600 1 85 PHE QD 1 116 ALA MB 3.000 . 4.100 4.733 4.096 5.131 1.031 9 12 "[* ******+1*-* *]" 1
601 1 85 PHE QD 1 126 LYS HA 6.000 . 6.000 5.260 3.640 6.031 0.031 4 0 "[ . 1 .]" 1
602 1 85 PHE QD 1 127 ILE MD 3.400 . 4.800 4.012 2.824 4.947 0.147 13 0 "[ . 1 .]" 1
603 1 85 PHE QD 1 127 ILE MG 3.400 . 4.800 3.419 2.557 4.247 . 0 0 "[ . 1 .]" 1
604 1 86 ASN H 1 86 ASN HB2 3.800 . 5.600 2.953 2.249 3.736 . 0 0 "[ . 1 .]" 1
605 1 86 ASN HA 1 87 LEU H 2.200 . 2.800 2.122 2.085 2.158 . 0 0 "[ . 1 .]" 1
606 1 86 ASN HB2 1 87 LEU H 3.200 . 4.500 4.128 2.964 4.613 0.113 10 0 "[ . 1 .]" 1
607 1 87 LEU HA 1 87 LEU QD 2.300 . 3.000 2.345 1.809 2.910 0.191 15 0 "[ . 1 .]" 1
608 1 87 LEU HA 1 87 LEU HG 4.100 . 6.000 2.791 2.117 3.631 . 0 0 "[ . 1 .]" 1
609 1 87 LEU HA 1 88 ASP H 2.100 . 2.600 2.344 2.201 2.500 . 0 0 "[ . 1 .]" 1
610 1 87 LEU QD 1 88 ASP H 4.000 . 6.000 2.832 1.436 3.922 0.564 1 1 "[+ . 1 .]" 1
611 1 87 LEU QD 1 116 ALA MB 2.300 . 3.000 2.323 1.649 2.935 . 0 0 "[ . 1 .]" 1
612 1 87 LEU QD 1 118 ASP H 5.200 . 6.000 3.418 2.956 4.095 . 0 0 "[ . 1 .]" 1
613 1 87 LEU QD 1 119 LYS H 6.000 . 6.000 5.773 4.823 5.963 . 0 0 "[ . 1 .]" 1
614 1 87 LEU QD 1 125 GLN H 3.100 . 4.300 2.618 1.986 3.748 . 0 0 "[ . 1 .]" 1
615 1 87 LEU HG 1 88 ASP H 3.800 . 5.600 3.228 1.944 5.335 0.056 12 0 "[ . 1 .]" 1
616 1 88 ASP HA 1 89 GLY H 2.500 . 3.300 2.212 2.112 2.381 . 0 0 "[ . 1 .]" 1
617 1 88 ASP HB2 1 89 GLY H 3.700 . 5.400 3.366 2.517 3.958 . 0 0 "[ . 1 .]" 1
618 1 90 ILE H 1 90 ILE HB 2.800 . 3.800 3.254 2.951 3.569 . 0 0 "[ . 1 .]" 1
619 1 90 ILE H 1 90 ILE MG 3.900 . 5.800 3.975 3.917 4.045 . 0 0 "[ . 1 .]" 1
620 1 90 ILE H 1 91 ASN HA 1.800 . 2.200 3.837 3.183 4.660 2.460 10 15 [*********+***-*] 1
621 1 90 ILE HA 1 90 ILE MD 4.700 . 6.000 4.050 3.872 4.114 . 0 0 "[ . 1 .]" 1
622 1 90 ILE HA 1 91 ASN H 2.100 . 2.700 2.825 2.340 3.239 0.539 12 1 "[ . 1 + .]" 1
623 1 90 ILE HB 1 90 ILE MD 2.700 . 3.600 2.258 2.128 2.426 . 0 0 "[ . 1 .]" 1
624 1 90 ILE HB 1 90 ILE MG 2.300 . 2.900 2.101 2.080 2.124 . 0 0 "[ . 1 .]" 1
625 1 90 ILE MD 1 90 ILE MG 2.200 . 2.800 2.255 1.858 2.554 . 0 0 "[ . 1 .]" 1
626 1 91 ASN H 1 91 ASN HA 2.600 . 3.500 2.566 2.113 2.937 . 0 0 "[ . 1 .]" 1
627 1 93 ALA H 1 93 ALA MB 3.600 . 5.200 2.620 2.235 2.911 . 0 0 "[ . 1 .]" 1
628 1 93 ALA HA 1 93 ALA MB 2.400 . 3.100 2.111 2.080 2.133 . 0 0 "[ . 1 .]" 1
629 1 94 PRO HA 1 95 ARG H 2.200 . 2.800 2.781 2.292 3.112 0.312 11 0 "[ . 1 .]" 1
630 1 95 ARG H 1 95 ARG HA 2.600 . 3.400 2.569 2.260 2.941 . 0 0 "[ . 1 .]" 1
631 1 95 ARG H 1 95 ARG HB2 2.700 . 3.600 3.372 2.150 3.958 0.358 4 0 "[ . 1 .]" 1
632 1 95 ARG HA 1 95 ARG HB2 2.500 . 3.300 2.657 2.266 3.021 . 0 0 "[ . 1 .]" 1
633 1 95 ARG HA 1 96 GLY H 2.100 . 2.600 2.271 2.126 2.848 0.248 11 0 "[ . 1 .]" 1
634 1 96 GLY H 1 96 GLY HA3 2.500 . 3.300 2.855 2.295 2.956 . 0 0 "[ . 1 .]" 1
635 1 96 GLY H 1 97 MET H 3.100 . 4.300 3.085 1.933 4.127 . 0 0 "[ . 1 .]" 1
636 1 96 GLY H 2 3 LEU QD 2.500 . 3.300 4.392 3.129 5.394 2.094 10 12 "[ **-*****+** *]" 1
637 1 99 GLN H 1 99 GLN HA 2.200 . 2.800 2.901 2.841 2.949 0.149 1 0 "[ . 1 .]" 1
638 1 99 GLN H 1 99 GLN HB2 3.400 . 4.800 3.121 2.395 3.924 . 0 0 "[ . 1 .]" 1
639 1 99 GLN H 1 119 LYS H 4.600 . 6.000 2.976 2.452 4.331 . 0 0 "[ . 1 .]" 1
640 1 99 GLN HA 1 100 ILE H 2.100 . 2.700 2.184 2.122 2.423 . 0 0 "[ . 1 .]" 1
641 1 99 GLN HA 1 119 LYS H 3.900 . 5.800 5.144 4.747 5.459 . 0 0 "[ . 1 .]" 1
642 1 99 GLN HG2 1 100 ILE H 4.100 . 6.000 4.196 3.086 5.037 . 0 0 "[ . 1 .]" 1
643 1 100 ILE H 1 100 ILE MD 5.100 . 6.000 3.255 2.304 4.175 . 0 0 "[ . 1 .]" 1
644 1 100 ILE HA 1 100 ILE MD 2.400 . 3.100 2.646 1.854 3.412 0.312 6 0 "[ . 1 .]" 1
645 1 100 ILE HA 1 100 ILE HG12 4.100 . 6.000 3.170 2.687 3.665 . 0 0 "[ . 1 .]" 1
646 1 100 ILE HA 1 100 ILE MG 2.600 . 3.500 2.524 2.287 2.937 . 0 0 "[ . 1 .]" 1
647 1 100 ILE HA 1 101 GLU H 2.000 . 2.500 2.186 2.140 2.271 . 0 0 "[ . 1 .]" 1
648 1 100 ILE HB 1 100 ILE MD 4.100 . 6.000 2.724 2.106 3.234 . 0 0 "[ . 1 .]" 1
649 1 100 ILE MD 1 100 ILE MG 2.000 . 2.500 2.478 1.774 3.170 0.670 14 1 "[ . 1 +.]" 1
650 1 100 ILE MD 1 101 GLU H 4.500 . 6.000 4.135 2.596 5.144 . 0 0 "[ . 1 .]" 1
651 1 100 ILE MD 1 118 ASP HA 4.100 . 6.000 3.136 1.895 4.604 0.105 4 0 "[ . 1 .]" 1
652 1 101 GLU H 1 101 GLU HB2 3.600 . 5.200 2.696 2.275 3.694 . 0 0 "[ . 1 .]" 1
653 1 101 GLU H 1 117 LYS H 2.800 . 3.800 2.099 1.735 2.364 0.065 13 0 "[ . 1 .]" 1
654 1 101 GLU HA 1 102 VAL H 2.100 . 2.700 2.164 2.124 2.375 . 0 0 "[ . 1 .]" 1
655 1 102 VAL H 1 102 VAL HB 2.900 . 3.900 3.000 2.603 3.702 . 0 0 "[ . 1 .]" 1
656 1 102 VAL H 1 102 VAL QG 3.700 . 5.400 2.153 1.835 2.477 0.165 8 0 "[ . 1 .]" 1
657 1 102 VAL H 1 103 THR H 4.400 . 6.000 4.401 3.823 4.531 . 0 0 "[ . 1 .]" 1
658 1 102 VAL HA 1 102 VAL QG 2.400 . 3.100 2.107 1.908 2.294 . 0 0 "[ . 1 .]" 1
659 1 102 VAL HA 1 103 THR H 2.100 . 2.600 2.178 2.118 2.356 . 0 0 "[ . 1 .]" 1
660 1 102 VAL HA 1 116 ALA HA 2.400 . 3.100 2.947 2.569 3.261 0.161 14 0 "[ . 1 .]" 1
661 1 102 VAL HA 1 116 ALA MB 4.400 . 6.000 3.881 3.423 4.303 . 0 0 "[ . 1 .]" 1
662 1 102 VAL HA 1 117 LYS H 5.800 . 6.000 4.373 3.967 5.093 . 0 0 "[ . 1 .]" 1
663 1 102 VAL MG1 1 102 VAL MG2 2.000 . 2.500 2.011 1.939 2.103 . 0 0 "[ . 1 .]" 1
664 1 102 VAL QG 1 103 THR H 4.200 . 6.000 2.656 1.951 3.606 0.049 4 0 "[ . 1 .]" 1
665 1 102 VAL QG 1 103 THR HA 5.100 . 6.000 3.783 3.189 4.394 . 0 0 "[ . 1 .]" 1
666 1 102 VAL QG 1 104 PHE QD 3.600 . 5.200 3.242 1.739 4.068 0.261 4 0 "[ . 1 .]" 1
667 1 102 VAL QG 1 116 ALA HA 4.800 . 5.200 3.358 2.804 3.695 . 0 0 "[ . 1 .]" 1
668 1 102 VAL QG 1 117 LYS H 3.400 . 4.900 4.545 3.909 4.978 0.078 5 0 "[ . 1 .]" 1
669 1 102 VAL QG 2 4 LEU MD1 6.000 . 6.000 4.064 2.999 5.118 . 0 0 "[ . 1 .]" 1
670 1 102 VAL QG 2 4 LEU MD2 6.000 . 6.000 4.339 3.704 5.505 . 0 0 "[ . 1 .]" 1
671 1 102 VAL QG 2 4 LEU HG 6.000 . 6.000 5.329 4.779 5.850 . 0 0 "[ . 1 .]" 1
672 1 103 THR H 1 103 THR HB 2.800 . 3.800 2.788 2.468 3.066 . 0 0 "[ . 1 .]" 1
673 1 103 THR H 1 114 VAL QG 4.500 . 6.000 3.898 3.371 4.845 . 0 0 "[ . 1 .]" 1
674 1 103 THR H 1 115 SER H 3.100 . 4.300 2.597 2.366 3.117 . 0 0 "[ . 1 .]" 1
675 1 103 THR H 1 116 ALA H 6.000 . 6.000 5.347 4.890 5.938 . 0 0 "[ . 1 .]" 1
676 1 103 THR H 1 116 ALA HA 5.400 . 6.000 4.515 4.047 5.035 . 0 0 "[ . 1 .]" 1
677 1 103 THR HA 1 103 THR MG 2.500 . 3.300 2.424 2.265 2.577 . 0 0 "[ . 1 .]" 1
678 1 103 THR HA 1 104 PHE H 2.000 . 2.500 2.196 2.157 2.269 . 0 0 "[ . 1 .]" 1
679 1 103 THR HA 1 115 SER H 3.700 . 5.400 4.929 4.634 5.332 . 0 0 "[ . 1 .]" 1
680 1 103 THR HA 1 115 SER HB2 3.500 . 5.000 6.047 6.004 6.162 1.162 13 15 [********-***+**] 1
681 1 103 THR HB 1 103 THR MG 2.200 . 2.800 2.123 2.092 2.142 . 0 0 "[ . 1 .]" 1
682 1 103 THR MG 1 104 PHE H 2.800 . 3.800 2.536 2.094 3.162 . 0 0 "[ . 1 .]" 1
683 1 103 THR MG 1 105 ASP H 5.400 . 6.000 4.023 3.373 4.759 . 0 0 "[ . 1 .]" 1
684 1 103 THR MG 1 105 ASP HA 6.000 . 6.000 4.615 4.205 5.123 . 0 0 "[ . 1 .]" 1
685 1 103 THR MG 1 105 ASP HB2 3.300 . 4.600 3.958 3.386 4.365 . 0 0 "[ . 1 .]" 1
686 1 104 PHE H 1 104 PHE HA 3.000 . 4.100 2.934 2.907 2.944 . 0 0 "[ . 1 .]" 1
687 1 104 PHE H 1 104 PHE HB2 3.800 . 5.600 3.164 2.337 3.523 . 0 0 "[ . 1 .]" 1
688 1 104 PHE HA 1 104 PHE HB2 3.000 . 4.100 2.919 2.834 3.016 . 0 0 "[ . 1 .]" 1
689 1 104 PHE HA 1 104 PHE QD 2.900 . 3.900 3.324 2.495 3.561 . 0 0 "[ . 1 .]" 1
690 1 104 PHE HA 1 105 ASP H 1.900 . 2.300 2.142 2.102 2.324 0.024 13 0 "[ . 1 .]" 1
691 1 104 PHE HA 1 112 LEU QD 4.100 . 6.000 2.886 2.431 3.795 . 0 0 "[ . 1 .]" 1
692 1 104 PHE HA 1 114 VAL HA 3.300 . 4.700 3.012 2.738 3.535 . 0 0 "[ . 1 .]" 1
693 1 104 PHE HA 1 114 VAL QG . . 3.100 3.510 3.095 4.266 1.166 9 6 "[ .*- +* ** .]" 1
694 1 104 PHE HB2 1 105 ASP H 6.000 . 6.000 3.761 2.916 4.464 . 0 0 "[ . 1 .]" 1
695 1 104 PHE HB2 1 112 LEU HA 4.000 . 6.000 5.784 5.328 7.274 1.274 4 1 "[ +. 1 .]" 1
696 1 104 PHE HB2 1 112 LEU QD 4.400 . 6.000 2.643 2.129 3.977 . 0 0 "[ . 1 .]" 1
697 1 104 PHE QD 1 112 LEU QD 3.900 . 5.800 3.053 1.873 3.589 0.127 4 0 "[ . 1 .]" 1
698 1 104 PHE QD 1 114 VAL QG 3.800 . 5.600 2.398 1.852 3.349 0.148 5 0 "[ . 1 .]" 1
699 1 105 ASP H 1 105 ASP HB2 3.400 . 4.900 3.318 2.901 3.670 . 0 0 "[ . 1 .]" 1
700 1 105 ASP H 1 112 LEU QD 4.200 . 6.000 2.783 2.476 3.358 . 0 0 "[ . 1 .]" 1
701 1 105 ASP H 1 112 LEU HG 5.400 . 6.000 4.532 4.058 5.707 . 0 0 "[ . 1 .]" 1
702 1 105 ASP H 1 113 HIS H 3.100 . 4.300 2.393 1.991 2.756 . 0 0 "[ . 1 .]" 1
703 1 105 ASP H 1 114 VAL HA 3.600 . 5.200 4.554 4.251 5.024 . 0 0 "[ . 1 .]" 1
704 1 105 ASP H 1 115 SER H 5.900 . 6.000 5.991 5.561 6.120 0.120 13 0 "[ . 1 .]" 1
705 1 105 ASP HA 1 105 ASP HB2 2.500 . 3.300 2.366 2.283 2.981 . 0 0 "[ . 1 .]" 1
706 1 105 ASP HA 1 106 ILE H 2.000 . 2.500 2.158 2.136 2.197 . 0 0 "[ . 1 .]" 1
707 1 106 ILE H 1 106 ILE HB 2.700 . 3.600 2.464 2.357 2.652 . 0 0 "[ . 1 .]" 1
708 1 106 ILE H 1 106 ILE MG 4.500 . 6.000 3.755 3.652 3.845 . 0 0 "[ . 1 .]" 1
709 1 106 ILE HA 1 106 ILE MD 3.900 . 5.800 2.473 1.880 3.690 0.120 10 0 "[ . 1 .]" 1
710 1 106 ILE HA 1 106 ILE HG12 3.000 . 4.100 2.643 2.334 3.068 . 0 0 "[ . 1 .]" 1
711 1 106 ILE HA 1 106 ILE MG 2.400 . 3.100 2.466 2.327 2.602 . 0 0 "[ . 1 .]" 1
712 1 106 ILE HA 1 107 ASP H 2.000 . 2.500 2.186 2.162 2.281 . 0 0 "[ . 1 .]" 1
713 1 106 ILE HA 1 112 LEU HA 3.000 . 4.100 2.590 2.297 3.285 . 0 0 "[ . 1 .]" 1
714 1 106 ILE HA 1 112 LEU QD 4.000 . 6.000 3.134 3.091 3.208 . 0 0 "[ . 1 .]" 1
715 1 106 ILE HA 1 113 HIS H 4.200 . 6.000 4.091 3.763 4.763 . 0 0 "[ . 1 .]" 1
716 1 106 ILE HB 1 106 ILE MD 2.300 . 3.000 3.126 2.639 3.238 0.238 10 0 "[ . 1 .]" 1
717 1 106 ILE HB 1 106 ILE HG12 2.900 . 3.900 2.645 2.389 3.014 . 0 0 "[ . 1 .]" 1
718 1 106 ILE HB 1 106 ILE MG 2.000 . 2.500 2.113 2.084 2.125 . 0 0 "[ . 1 .]" 1
719 1 106 ILE HB 1 112 LEU QD 6.000 . 6.000 4.318 4.113 4.597 . 0 0 "[ . 1 .]" 1
720 1 106 ILE MD 1 106 ILE HG12 2.000 . 2.500 2.099 2.073 2.120 . 0 0 "[ . 1 .]" 1
721 1 106 ILE MD 1 106 ILE MG 1.600 . 2.200 1.884 1.726 2.149 . 0 0 "[ . 1 .]" 1
722 1 106 ILE MD 1 112 LEU QD 3.900 . 5.800 1.988 1.604 2.720 0.396 1 0 "[ . 1 .]" 1
723 1 106 ILE HG12 1 106 ILE MG 2.200 . 2.800 3.090 2.538 3.190 0.390 10 0 "[ . 1 .]" 1
724 1 106 ILE MG 1 107 ASP H 2.800 . 3.800 2.446 2.181 2.624 . 0 0 "[ . 1 .]" 1
725 1 106 ILE MG 1 110 GLY H 3.700 . 5.400 4.004 3.198 4.291 . 0 0 "[ . 1 .]" 1
726 1 106 ILE MG 1 110 GLY HA2 2.600 . 3.500 3.398 2.404 3.557 0.057 13 0 "[ . 1 .]" 1
727 1 106 ILE MG 1 110 GLY HA3 4.000 . 6.000 4.846 3.783 5.055 . 0 0 "[ . 1 .]" 1
728 1 106 ILE MG 1 111 ILE H 4.900 . 6.000 3.697 3.175 4.243 . 0 0 "[ . 1 .]" 1
729 1 106 ILE MG 1 111 ILE HA 6.000 . 6.000 5.087 4.405 5.630 . 0 0 "[ . 1 .]" 1
730 1 106 ILE MG 1 112 LEU HA 4.200 . 6.000 4.226 3.762 4.944 . 0 0 "[ . 1 .]" 1
731 1 106 ILE MG 1 112 LEU QD 5.300 . 6.000 3.893 3.469 4.267 . 0 0 "[ . 1 .]" 1
732 1 107 ASP H 1 107 ASP HA 3.000 . 4.100 2.939 2.934 2.948 . 0 0 "[ . 1 .]" 1
733 1 107 ASP H 1 110 GLY HA3 4.200 . 6.000 5.704 5.210 5.984 . 0 0 "[ . 1 .]" 1
734 1 107 ASP H 1 111 ILE H 2.500 . 3.300 2.768 2.351 3.093 . 0 0 "[ . 1 .]" 1
735 1 107 ASP H 1 111 ILE HB 5.200 . 6.000 3.250 2.681 3.872 . 0 0 "[ . 1 .]" 1
736 1 107 ASP HA 1 108 ALA H 2.400 . 3.100 2.390 2.329 2.437 . 0 0 "[ . 1 .]" 1
737 1 107 ASP HA 1 109 ASP H 3.500 . 5.100 4.232 3.921 4.621 . 0 0 "[ . 1 .]" 1
738 1 107 ASP HA 1 110 GLY H 4.900 . 6.000 4.804 4.514 5.137 . 0 0 "[ . 1 .]" 1
739 1 107 ASP HB2 1 109 ASP H 3.200 . 4.400 3.613 2.748 4.317 . 0 0 "[ . 1 .]" 1
740 1 107 ASP HB2 1 111 ILE H 3.300 . 4.700 2.910 2.379 4.043 . 0 0 "[ . 1 .]" 1
741 1 107 ASP HB2 1 111 ILE MG 4.600 . 6.000 4.015 3.281 4.826 . 0 0 "[ . 1 .]" 1
742 1 108 ALA H 1 108 ALA MB 2.200 . 2.800 2.133 2.016 2.234 . 0 0 "[ . 1 .]" 1
743 1 108 ALA H 1 109 ASP H 2.500 . 3.300 2.733 2.630 3.038 . 0 0 "[ . 1 .]" 1
744 1 108 ALA HA 1 108 ALA MB 2.200 . 2.800 2.107 2.081 2.128 . 0 0 "[ . 1 .]" 1
745 1 108 ALA HA 1 109 ASP H 4.200 . 6.000 3.460 2.943 3.565 . 0 0 "[ . 1 .]" 1
746 1 108 ALA MB 1 109 ASP H 3.100 . 4.300 2.831 2.346 3.597 . 0 0 "[ . 1 .]" 1
747 1 109 ASP H 1 110 GLY H 2.200 . 2.800 2.611 1.811 2.789 . 0 0 "[ . 1 .]" 1
748 1 109 ASP HA 1 109 ASP HB2 2.700 . 3.600 2.896 2.632 3.024 . 0 0 "[ . 1 .]" 1
749 1 110 GLY H 1 110 GLY HA3 2.400 . 3.100 2.899 2.830 2.953 . 0 0 "[ . 1 .]" 1
750 1 110 GLY H 1 111 ILE H 2.400 . 3.100 2.397 2.100 2.614 . 0 0 "[ . 1 .]" 1
751 1 110 GLY H 1 111 ILE HA 6.000 . 6.000 5.033 4.798 5.250 . 0 0 "[ . 1 .]" 1
752 1 110 GLY H 1 111 ILE HB 6.000 . 6.000 4.881 4.532 5.249 . 0 0 "[ . 1 .]" 1
753 1 110 GLY H 1 111 ILE HG12 5.300 . 6.000 5.189 4.679 5.781 . 0 0 "[ . 1 .]" 1
754 1 110 GLY HA2 1 111 ILE H 5.400 . 6.000 2.918 2.552 3.134 . 0 0 "[ . 1 .]" 1
755 1 111 ILE H 1 111 ILE HB 2.500 . 3.300 2.783 2.618 3.082 . 0 0 "[ . 1 .]" 1
756 1 111 ILE H 1 111 ILE HG12 2.800 . 3.800 3.624 3.244 4.294 0.494 2 0 "[ . 1 .]" 1
757 1 111 ILE H 1 112 LEU H 4.100 . 6.000 4.547 4.427 4.609 . 0 0 "[ . 1 .]" 1
758 1 111 ILE HA 1 111 ILE HG12 3.800 . 5.600 3.031 2.722 3.498 . 0 0 "[ . 1 .]" 1
759 1 111 ILE HA 1 111 ILE MG 2.900 . 3.900 2.196 1.997 2.341 . 0 0 "[ . 1 .]" 1
760 1 111 ILE HA 1 112 LEU H 2.000 . 2.500 2.351 2.273 2.514 0.014 15 0 "[ . 1 .]" 1
761 1 111 ILE HA 1 128 THR MG 6.000 . 6.000 6.026 5.956 6.073 0.073 13 0 "[ . 1 .]" 1
762 1 111 ILE HA 1 130 LYS HA 6.000 . 6.000 2.186 1.731 2.523 . 0 0 "[ . 1 .]" 1
763 1 111 ILE HA 1 131 ALA MB 6.000 . 6.000 4.372 3.546 5.484 . 0 0 "[ . 1 .]" 1
764 1 111 ILE HB 1 111 ILE HG12 2.700 . 3.600 2.947 2.771 3.029 . 0 0 "[ . 1 .]" 1
765 1 111 ILE HB 1 112 LEU HA 3.100 . 4.300 4.315 4.129 4.394 0.094 6 0 "[ . 1 .]" 1
766 1 111 ILE HG12 1 111 ILE MG 2.300 . 3.000 2.187 1.913 2.409 . 0 0 "[ . 1 .]" 1
767 1 111 ILE MG 1 112 LEU H 2.300 . 3.000 1.881 1.688 2.064 . 0 0 "[ . 1 .]" 1
768 1 111 ILE MG 1 128 THR HA 6.000 . 6.000 3.510 3.112 3.946 . 0 0 "[ . 1 .]" 1
769 1 111 ILE MG 1 128 THR HB 6.000 . 6.000 3.876 3.273 5.906 . 0 0 "[ . 1 .]" 1
770 1 111 ILE MG 1 128 THR MG 6.000 . 6.000 3.629 3.324 3.977 . 0 0 "[ . 1 .]" 1
771 1 111 ILE MG 1 129 ILE H 4.300 . 6.000 2.834 2.533 3.162 . 0 0 "[ . 1 .]" 1
772 1 111 ILE MG 1 129 ILE HB 4.100 . 6.000 4.711 4.456 5.084 . 0 0 "[ . 1 .]" 1
773 1 111 ILE MG 1 130 LYS HA 2.500 . 3.300 3.141 2.330 3.582 0.282 9 0 "[ . 1 .]" 1
774 1 111 ILE MG 1 131 ALA MB 4.800 . 6.000 5.310 4.605 6.019 0.019 5 0 "[ . 1 .]" 1
775 1 112 LEU H 1 112 LEU HG 3.200 . 4.500 4.220 4.183 4.290 . 0 0 "[ . 1 .]" 1
776 1 112 LEU H 1 129 ILE H 3.600 . 5.200 2.534 2.249 2.876 . 0 0 "[ . 1 .]" 1
777 1 112 LEU HA 1 112 LEU QD 3.600 . 5.200 2.252 1.910 2.548 0.090 11 0 "[ . 1 .]" 1
778 1 112 LEU HA 1 112 LEU HG 2.600 . 3.500 3.155 2.775 3.271 . 0 0 "[ . 1 .]" 1
779 1 112 LEU HA 1 113 HIS H 2.100 . 2.600 2.191 2.147 2.298 . 0 0 "[ . 1 .]" 1
780 1 112 LEU MD1 1 112 LEU MD2 1.700 . 2.200 1.963 1.872 2.052 . 0 0 "[ . 1 .]" 1
781 1 112 LEU QD 1 112 LEU HG 2.100 . 2.600 1.867 1.857 1.878 . 0 0 "[ . 1 .]" 1
782 1 112 LEU QD 1 113 HIS H 3.700 . 5.400 2.373 1.584 3.375 0.416 11 0 "[ . 1 .]" 1
783 1 112 LEU QD 1 114 VAL HA 6.000 . 6.000 3.827 3.547 4.109 . 0 0 "[ . 1 .]" 1
784 1 112 LEU QD 1 114 VAL QG 2.100 . 2.700 2.114 2.006 2.276 . 0 0 "[ . 1 .]" 1
785 1 112 LEU QD 1 131 ALA MB 3.500 . 5.000 3.573 1.973 4.393 0.027 8 0 "[ . 1 .]" 1
786 1 112 LEU HG 1 114 VAL QG 2.000 . 2.500 2.357 1.868 4.388 1.888 11 1 "[ . 1+ .]" 1
787 1 113 HIS H 1 113 HIS HB2 3.500 . 5.100 2.635 2.287 3.712 . 0 0 "[ . 1 .]" 1
788 1 113 HIS H 1 114 VAL HA 4.000 . 6.000 4.868 4.475 5.023 . 0 0 "[ . 1 .]" 1
789 1 113 HIS HA 1 113 HIS HB2 2.600 . 3.500 2.884 2.289 3.028 . 0 0 "[ . 1 .]" 1
790 1 113 HIS HA 1 114 VAL H 2.200 . 2.800 2.159 2.121 2.235 . 0 0 "[ . 1 .]" 1
791 1 113 HIS HA 1 114 VAL QG 6.000 . 6.000 3.623 3.324 3.848 . 0 0 "[ . 1 .]" 1
792 1 113 HIS HA 1 128 THR HA 2.700 . 3.600 2.934 2.614 3.946 0.346 13 0 "[ . 1 .]" 1
793 1 113 HIS HA 1 128 THR MG 4.500 . 6.000 5.447 5.092 5.734 . 0 0 "[ . 1 .]" 1
794 1 113 HIS HA 1 129 ILE H 5.500 . 6.000 3.906 3.656 4.203 . 0 0 "[ . 1 .]" 1
795 1 113 HIS HB2 1 114 VAL H 6.000 . 6.000 4.381 3.434 4.624 . 0 0 "[ . 1 .]" 1
796 1 114 VAL H 1 114 VAL HB 2.200 . 2.800 2.731 2.493 3.640 0.840 7 1 "[ . + 1 .]" 1
797 1 114 VAL H 1 114 VAL QG 3.000 . 4.200 2.495 1.940 2.917 . 0 0 "[ . 1 .]" 1
798 1 114 VAL H 1 115 SER H 5.600 . 6.000 4.420 3.829 4.552 . 0 0 "[ . 1 .]" 1
799 1 114 VAL H 1 127 ILE H 3.100 . 4.300 3.152 2.477 4.483 0.183 13 0 "[ . 1 .]" 1
800 1 114 VAL H 1 128 THR HA 4.000 . 6.000 4.141 3.490 4.966 . 0 0 "[ . 1 .]" 1
801 1 114 VAL H 1 129 ILE HB 6.000 . 6.000 5.725 5.029 6.020 0.020 8 0 "[ . 1 .]" 1
802 1 114 VAL H 1 129 ILE MD 4.900 . 6.000 3.127 2.617 4.121 . 0 0 "[ . 1 .]" 1
803 1 114 VAL HA 1 114 VAL QG 2.400 . 3.000 2.097 2.022 2.527 . 0 0 "[ . 1 .]" 1
804 1 114 VAL HA 1 115 SER H 2.000 . 2.500 2.195 2.129 2.282 . 0 0 "[ . 1 .]" 1
805 1 114 VAL HB 1 114 VAL QG 2.100 . 2.600 1.866 1.857 1.877 . 0 0 "[ . 1 .]" 1
806 1 114 VAL HB 1 127 ILE H 5.000 . 6.000 4.152 3.324 5.886 . 0 0 "[ . 1 .]" 1
807 1 114 VAL HB 1 127 ILE MD 3.600 . 5.200 5.574 2.115 6.050 0.850 13 10 "[** *** -** + *]" 1
808 1 114 VAL HB 1 127 ILE MG 5.200 . 6.000 4.163 2.281 5.420 . 0 0 "[ . 1 .]" 1
809 1 114 VAL HB 1 129 ILE MD 3.000 . 4.200 3.276 1.926 4.008 . 0 0 "[ . 1 .]" 1
810 1 114 VAL MG1 1 114 VAL MG2 2.000 . 2.500 1.950 1.871 2.075 . 0 0 "[ . 1 .]" 1
811 1 114 VAL QG 1 115 SER H 2.900 . 3.900 2.416 1.870 3.159 0.030 14 0 "[ . 1 .]" 1
812 1 114 VAL QG 1 127 ILE MD 3.100 . 4.300 5.061 2.936 5.565 1.265 11 13 "[** -** ***+****]" 1
813 1 114 VAL QG 1 127 ILE MG 4.700 . 6.000 3.894 2.177 5.069 . 0 0 "[ . 1 .]" 1
814 1 115 SER H 1 115 SER HB2 4.000 . 6.000 3.024 2.635 3.767 . 0 0 "[ . 1 .]" 1
815 1 115 SER HA 1 115 SER HB2 2.500 . 3.300 2.691 2.455 2.786 . 0 0 "[ . 1 .]" 1
816 1 115 SER HA 1 116 ALA H 2.000 . 2.500 2.197 2.134 2.326 . 0 0 "[ . 1 .]" 1
817 1 115 SER HA 1 126 LYS HA 2.300 . 3.000 2.685 1.920 4.239 1.239 13 1 "[ . 1 + .]" 1
818 1 115 SER HA 1 126 LYS HB2 3.100 . 4.300 4.349 1.947 4.826 0.526 15 5 "[ * * - 1* +]" 1
819 1 115 SER HA 1 127 ILE H 4.400 . 6.000 4.274 3.619 4.909 . 0 0 "[ . 1 .]" 1
820 1 115 SER HB2 1 116 ALA H 3.600 . 5.200 4.059 2.293 4.502 . 0 0 "[ . 1 .]" 1
821 1 115 SER HB2 1 126 LYS HA 4.200 . 6.000 3.988 3.091 5.464 . 0 0 "[ . 1 .]" 1
822 1 115 SER HB2 1 126 LYS HG2 4.800 . 6.000 4.006 2.735 5.310 . 0 0 "[ . 1 .]" 1
823 1 116 ALA H 1 116 ALA MB 2.700 . 3.600 2.538 2.334 2.867 . 0 0 "[ . 1 .]" 1
824 1 116 ALA H 1 117 LYS H 6.000 . 6.000 4.242 3.836 4.369 . 0 0 "[ . 1 .]" 1
825 1 116 ALA H 1 125 GLN H 3.100 . 4.300 3.341 2.831 4.455 0.155 9 0 "[ . 1 .]" 1
826 1 116 ALA H 1 126 LYS HA 4.700 . 6.000 4.240 3.396 5.229 . 0 0 "[ . 1 .]" 1
827 1 116 ALA HA 1 116 ALA MB 2.400 . 3.100 2.127 2.089 2.138 . 0 0 "[ . 1 .]" 1
828 1 116 ALA HA 1 117 LYS H 2.000 . 2.500 2.179 2.133 2.475 . 0 0 "[ . 1 .]" 1
829 1 116 ALA MB 1 117 LYS H 3.600 . 5.200 3.091 2.184 3.323 . 0 0 "[ . 1 .]" 1
830 1 116 ALA MB 1 125 GLN H 3.100 . 4.300 4.370 3.900 5.207 0.907 9 2 "[ . +1 - .]" 1
831 1 117 LYS H 1 117 LYS HB2 3.300 . 4.700 3.110 2.601 3.702 . 0 0 "[ . 1 .]" 1
832 1 117 LYS HA 1 117 LYS HG2 4.200 . 6.000 3.107 2.345 4.149 . 0 0 "[ . 1 .]" 1
833 1 117 LYS HA 1 118 ASP H 2.000 . 2.500 2.249 2.129 2.560 0.060 12 0 "[ . 1 .]" 1
834 1 117 LYS HA 1 124 GLU HA 2.300 . 3.000 2.786 2.138 4.142 1.142 12 2 "[ . -1 + .]" 1
835 1 117 LYS HA 1 124 GLU HB2 5.800 . 6.000 2.736 1.874 5.229 . 0 0 "[ . 1 .]" 1
836 1 117 LYS HA 1 125 GLN H 4.800 . 6.000 4.286 3.773 5.603 . 0 0 "[ . 1 .]" 1
837 1 117 LYS HB2 1 117 LYS HG2 2.900 . 4.000 2.814 2.473 2.998 . 0 0 "[ . 1 .]" 1
838 1 117 LYS HG2 1 118 ASP H 4.200 . 6.000 3.122 1.840 4.700 0.160 12 0 "[ . 1 .]" 1
839 1 117 LYS HG2 1 118 ASP HA 5.000 . 6.000 4.636 4.102 5.853 . 0 0 "[ . 1 .]" 1
840 1 118 ASP H 1 118 ASP HB2 2.800 . 3.800 2.779 2.303 3.533 . 0 0 "[ . 1 .]" 1
841 1 118 ASP H 1 123 LYS H 5.000 . 6.000 3.947 2.647 5.197 . 0 0 "[ . 1 .]" 1
842 1 118 ASP H 1 124 GLU HA 4.000 . 6.000 3.789 3.449 4.197 . 0 0 "[ . 1 .]" 1
843 1 118 ASP HA 1 118 ASP HB2 2.700 . 3.600 2.778 2.240 3.027 . 0 0 "[ . 1 .]" 1
844 1 118 ASP HA 1 119 LYS H 2.000 . 2.500 2.203 2.055 2.304 . 0 0 "[ . 1 .]" 1
845 1 118 ASP HA 1 120 ASN H 4.900 . 6.000 5.144 3.747 6.211 0.211 5 0 "[ . 1 .]" 1
846 1 119 LYS H 1 119 LYS HA 2.400 . 3.100 2.917 2.777 2.941 . 0 0 "[ . 1 .]" 1
847 1 119 LYS H 1 119 LYS HB2 2.600 . 3.400 2.919 2.318 3.706 0.306 15 0 "[ . 1 .]" 1
848 1 119 LYS HA 1 119 LYS HB2 2.600 . 3.400 2.550 2.277 2.844 . 0 0 "[ . 1 .]" 1
849 1 119 LYS HA 1 120 ASN H 3.400 . 4.900 2.493 2.149 3.459 . 0 0 "[ . 1 .]" 1
850 1 120 ASN H 1 120 ASN HA 2.700 . 3.600 2.788 2.313 2.946 . 0 0 "[ . 1 .]" 1
851 1 120 ASN H 1 121 SER H 1.900 . 2.300 1.875 1.501 2.673 0.373 12 0 "[ . 1 .]" 1
852 1 120 ASN H 1 122 GLY H 4.400 . 6.000 2.866 2.001 4.267 . 0 0 "[ . 1 .]" 1
853 1 120 ASN HA 1 121 SER H 3.100 . 4.300 3.416 3.188 3.553 . 0 0 "[ . 1 .]" 1
854 1 121 SER H 1 121 SER HA 3.000 . 4.100 2.901 2.829 2.950 . 0 0 "[ . 1 .]" 1
855 1 121 SER H 1 122 GLY H 2.000 . 2.500 1.818 1.520 2.512 0.012 10 0 "[ . 1 .]" 1
856 1 121 SER H 1 122 GLY HA3 5.500 . 6.000 4.329 3.751 4.733 . 0 0 "[ . 1 .]" 1
857 1 122 GLY H 1 122 GLY HA2 2.500 . 3.300 2.534 2.313 2.953 . 0 0 "[ . 1 .]" 1
858 1 122 GLY H 1 122 GLY HA3 2.500 . 3.300 2.859 2.518 2.956 . 0 0 "[ . 1 .]" 1
859 1 122 GLY H 1 123 LYS H 2.300 . 3.000 2.463 1.764 3.708 0.708 12 1 "[ . 1 + .]" 1
860 1 122 GLY HA2 1 123 LYS H 4.700 . 6.000 2.902 2.340 3.271 . 0 0 "[ . 1 .]" 1
861 1 122 GLY HA3 1 123 LYS H 4.700 . 6.000 3.378 2.064 3.553 . 0 0 "[ . 1 .]" 1
862 1 123 LYS H 1 123 LYS HA 2.800 . 3.800 2.869 2.728 2.940 . 0 0 "[ . 1 .]" 1
863 1 123 LYS H 1 124 GLU H 5.300 . 6.000 4.488 4.207 4.649 . 0 0 "[ . 1 .]" 1
864 1 123 LYS HA 1 123 LYS HG2 3.700 . 5.500 2.761 2.035 4.050 . 0 0 "[ . 1 .]" 1
865 1 123 LYS HA 1 124 GLU H 1.900 . 2.400 2.223 2.136 2.450 0.050 15 0 "[ . 1 .]" 1
866 1 123 LYS HG2 1 124 GLU H 4.600 . 6.000 4.020 2.846 4.923 . 0 0 "[ . 1 .]" 1
867 1 124 GLU H 1 124 GLU HB2 2.700 . 3.600 3.361 2.976 3.773 0.173 12 0 "[ . 1 .]" 1
868 1 124 GLU H 1 125 GLN H 6.000 . 6.000 4.328 3.770 4.526 . 0 0 "[ . 1 .]" 1
869 1 124 GLU HA 1 124 GLU HB2 2.400 . 3.100 2.425 2.224 2.606 . 0 0 "[ . 1 .]" 1
870 1 124 GLU HA 1 124 GLU HG2 4.200 . 6.000 2.773 2.224 3.895 . 0 0 "[ . 1 .]" 1
871 1 124 GLU HA 1 125 GLN H 2.000 . 2.500 2.270 2.177 2.501 0.001 9 0 "[ . 1 .]" 1
872 1 124 GLU HB2 1 124 GLU HG2 2.100 . 2.600 2.745 2.389 3.001 0.401 2 0 "[ . 1 .]" 1
873 1 124 GLU HB2 1 125 GLN H 3.000 . 4.100 3.845 2.623 4.381 0.281 13 0 "[ . 1 .]" 1
874 1 124 GLU HG2 1 125 GLN H 2.400 . 3.100 2.411 1.746 3.394 0.294 9 0 "[ . 1 .]" 1
875 1 125 GLN H 1 126 LYS H 5.800 . 6.000 4.300 3.623 4.531 . 0 0 "[ . 1 .]" 1
876 1 125 GLN HA 1 126 LYS H 1.800 . 2.200 2.257 2.168 2.401 0.201 9 0 "[ . 1 .]" 1
877 1 126 LYS H 1 127 ILE H 5.900 . 6.000 4.385 3.772 4.538 . 0 0 "[ . 1 .]" 1
878 1 126 LYS HA 1 126 LYS HB2 2.600 . 3.500 2.752 2.578 3.006 . 0 0 "[ . 1 .]" 1
879 1 126 LYS HA 1 127 ILE H 2.000 . 2.500 2.302 2.172 2.424 . 0 0 "[ . 1 .]" 1
880 1 127 ILE H 1 127 ILE HB 3.600 . 5.300 3.292 2.696 3.914 . 0 0 "[ . 1 .]" 1
881 1 127 ILE H 1 127 ILE MG 3.700 . 5.400 2.988 2.282 3.950 . 0 0 "[ . 1 .]" 1
882 1 127 ILE HA 1 127 ILE HB 2.400 . 3.100 2.627 2.217 3.020 . 0 0 "[ . 1 .]" 1
883 1 127 ILE HA 1 127 ILE MD 2.700 . 3.600 3.191 2.033 3.663 0.063 14 0 "[ . 1 .]" 1
884 1 127 ILE HA 1 127 ILE MG 3.100 . 4.300 2.734 2.058 3.205 . 0 0 "[ . 1 .]" 1
885 1 127 ILE HA 1 128 THR H 2.100 . 2.700 2.354 2.161 2.432 . 0 0 "[ . 1 .]" 1
886 1 127 ILE HB 1 127 ILE MD 3.000 . 4.200 2.690 2.112 3.238 . 0 0 "[ . 1 .]" 1
887 1 127 ILE HB 1 128 THR H 2.500 . 3.300 3.562 2.343 4.079 0.779 2 8 "[*+ . * ** *- *]" 1
888 1 127 ILE MD 1 127 ILE MG 1.900 . 2.400 2.175 1.785 2.641 0.241 14 0 "[ . 1 .]" 1
889 1 127 ILE MD 1 128 THR H 2.700 . 3.600 3.757 2.645 5.095 1.495 13 4 "[ -**. 1 + .]" 1
890 1 128 THR H 1 128 THR HB 2.600 . 3.400 2.948 2.786 3.093 . 0 0 "[ . 1 .]" 1
891 1 128 THR H 1 128 THR MG 3.200 . 4.500 2.207 1.920 3.934 . 0 0 "[ . 1 .]" 1
892 1 128 THR HA 1 128 THR HB 2.900 . 3.900 2.500 2.373 3.022 . 0 0 "[ . 1 .]" 1
893 1 128 THR HA 1 128 THR MG 2.800 . 3.800 3.151 2.460 3.211 . 0 0 "[ . 1 .]" 1
894 1 128 THR HA 1 129 ILE H 2.000 . 2.500 2.191 2.148 2.308 . 0 0 "[ . 1 .]" 1
895 1 128 THR HB 1 128 THR MG 2.200 . 2.800 2.111 2.089 2.133 . 0 0 "[ . 1 .]" 1
896 1 128 THR HB 1 129 ILE H 5.100 . 6.000 4.154 3.917 4.503 . 0 0 "[ . 1 .]" 1
897 1 128 THR MG 1 129 ILE H 3.200 . 4.500 3.805 3.047 4.012 . 0 0 "[ . 1 .]" 1
898 1 129 ILE H 1 129 ILE HG12 4.300 . 6.000 4.100 2.216 4.603 . 0 0 "[ . 1 .]" 1
899 1 129 ILE HA 1 130 LYS H 3.400 . 4.800 2.163 2.141 2.260 . 0 0 "[ . 1 .]" 1
900 1 130 LYS HA 1 131 ALA H 2.700 . 3.600 2.418 2.136 2.886 . 0 0 "[ . 1 .]" 1
901 1 131 ALA H 1 131 ALA MB 3.500 . 5.100 2.318 2.082 2.852 . 0 0 "[ . 1 .]" 1
902 1 131 ALA HA 1 131 ALA MB 2.200 . 2.800 2.112 2.083 2.127 . 0 0 "[ . 1 .]" 1
903 1 132 SER HA 1 132 SER HB2 2.900 . 3.900 2.665 2.238 2.993 . 0 0 "[ . 1 .]" 1
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