NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
416447 |
2djm   |
7083 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2djm
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 1566
_Distance_constraint_stats_list.Viol_count 4491
_Distance_constraint_stats_list.Viol_total 37482.316
_Distance_constraint_stats_list.Viol_max 4.423
_Distance_constraint_stats_list.Viol_rms 0.3605
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1064
_Distance_constraint_stats_list.Viol_average_violations_only 0.5564
_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 1 ALA 0.424 0.238 11 0 "[ . 1 .]"
1 2 SER 47.803 4.423 14 14 "[*** ***-*****+*]"
1 3 ILE 10.961 0.876 14 9 "[* ***-*** +.]"
1 4 PRO 22.010 2.388 14 13 "[* **********+-]"
1 5 SER 42.574 4.423 14 14 "[*** *********+*]"
1 6 SER 12.869 1.167 14 9 "[* *.* **** +-]"
1 7 ALA 29.376 2.388 14 13 "[* *-*** *****+*]"
1 8 SER 2.530 0.262 4 0 "[ . 1 .]"
1 9 VAL 17.058 0.984 14 13 "[* *-**** ****+*]"
1 10 GLN 41.129 0.915 15 15 [*-************+]
1 11 LEU 26.729 0.858 8 15 [*******+*******]
1 12 ASP 4.397 0.656 15 2 "[ -. 1 +]"
1 13 SER 23.055 1.660 7 15 [******+*-******]
1 14 TYR 52.004 2.153 15 15 [-*************+]
1 15 ASN 40.326 1.563 14 15 [***-*********+*]
1 16 TYR 83.690 2.127 3 15 [**+-***********]
1 17 ASP 102.442 3.897 12 15 [**-********+***]
1 18 GLY 2.343 1.290 12 1 "[ . 1 + .]"
1 19 SER 51.837 1.588 12 15 [*******-***+***]
1 20 THR 128.910 4.221 2 15 [*+***********-*]
1 21 PHE 60.467 1.369 6 15 [****-+*********]
1 22 SER 89.369 1.713 4 15 [***+-**********]
1 23 GLY 31.902 1.860 15 15 [*-************+]
1 24 LYS 78.236 2.153 15 15 [-*************+]
1 25 ILE 17.166 0.657 9 13 "[* *** **+*****-]"
1 26 TYR 50.988 0.915 15 15 [*********-****+]
1 27 VAL 84.927 2.512 3 15 [**+******-*****]
1 28 LYS 32.420 1.542 3 15 [**+***-********]
1 29 ASN 14.411 1.851 5 6 "[*-* + *1* .]"
1 30 ILE 62.506 2.642 14 15 [*************+-]
1 31 ALA 23.250 1.266 15 15 [*********-****+]
1 32 TYR 56.005 2.642 14 15 [*********-***+*]
1 33 SER 9.754 0.646 15 1 "[ . 1 +]"
1 34 LYS 64.395 3.439 15 15 [********-*****+]
1 35 LYS 71.306 1.263 3 15 [**+*****-******]
1 36 VAL 98.844 3.601 14 15 [*-***********+*]
1 37 THR 40.287 1.183 8 15 [*******+-******]
1 38 VAL 28.623 1.146 10 15 [********-+*****]
1 39 VAL 121.384 4.297 3 15 [**+********-***]
1 40 TYR 22.067 1.379 2 9 "[*+***- * * *.]"
1 41 ALA 92.109 3.538 11 15 [**********+-***]
1 42 ASP 73.725 2.495 10 15 [***-*****+*****]
1 43 GLY 13.368 1.498 13 7 "[* ** ** -+ .]"
1 44 SER 12.814 1.126 14 10 "[**- .** * **+*]"
1 45 ASP 26.621 1.232 14 12 "[***** ** * -*+*]"
1 46 ASN 64.780 2.002 10 15 [******-**+*****]
1 47 TRP 139.341 3.504 14 15 [***-*********+*]
1 48 ASN 130.831 3.504 14 15 [***-*********+*]
1 49 ASN 21.774 1.827 13 15 [***-********+**]
1 50 ASN 93.625 4.005 13 15 [**-*********+**]
1 51 GLY 53.744 4.297 3 15 [**+************]
1 52 ASN 13.480 1.417 11 5 "[* * * 1+ -]"
1 53 ILE 55.203 2.807 11 15 [**********+***-]
1 54 ILE 71.523 2.807 11 15 [-*********+****]
1 55 ALA 33.958 1.245 15 15 [-*************+]
1 56 ALA 29.858 1.515 8 15 [*******+**-****]
1 57 SER 16.372 0.950 6 15 [**-**+*********]
1 58 PHE 75.973 2.526 4 15 [***+*********-*]
1 59 SER 42.874 1.483 4 15 [***+*-*********]
1 60 GLY 52.364 1.243 3 15 [**+****-*******]
1 61 PRO 34.911 2.451 5 15 [**-*+**********]
1 62 ILE 17.989 1.012 3 14 "[**+ ******-****]"
1 63 SER 33.281 2.451 5 15 [****+*********-]
1 64 GLY 0.253 0.083 12 0 "[ . 1 .]"
1 65 SER 1.432 0.224 3 0 "[ . 1 .]"
1 66 ASN 10.252 1.851 5 5 "[- * + *1* .]"
1 67 TYR 19.319 1.460 8 7 "[ **** +*1- .]"
1 68 GLU 73.600 2.512 3 15 [**+****-*******]
1 69 TYR 86.888 2.481 4 15 [**-+***********]
1 70 TRP 156.690 3.601 14 15 [*-***********+*]
1 71 THR 53.863 1.395 4 15 [-**+***********]
1 72 PHE 22.853 1.515 8 14 [*-**.**+*******]
1 73 SER 9.724 0.688 6 2 "[ .+ - 1 .]"
1 74 ALA 23.151 1.099 8 14 "[*****-*+** ****]"
1 75 SER 18.933 1.279 1 15 [+************-*]
1 76 VAL 138.697 3.630 12 15 [*******-***+***]
1 77 LYS 102.225 4.221 2 15 [*+*****-*******]
1 78 GLY 16.284 1.222 4 9 "[ * +.**-*1* **]"
1 79 ILE 19.186 1.498 13 9 "[ * .****1**+-.]"
1 80 LYS 28.229 1.379 2 12 "[*+ ***** * -***]"
1 81 GLU 59.124 1.778 9 15 [********+**-***]
1 82 PHE 91.601 2.426 9 15 [-*******+******]
1 83 TYR 19.586 0.912 5 10 "[*-**+ * *1* **]"
1 84 ILE 56.011 1.206 10 15 [*********+*-***]
1 85 LYS 26.036 1.206 10 15 [*********+*-***]
1 86 TYR 93.496 3.439 15 15 [******-*******+]
1 87 GLU 46.389 1.204 15 15 [****-*********+]
1 88 VAL 41.644 1.671 13 15 [*******-****+**]
1 89 SER 19.635 2.010 15 7 "[ *. *-1** *+]"
1 90 GLY 5.570 0.425 15 0 "[ . 1 .]"
1 91 LYS 44.793 1.671 13 15 [************+*-]
1 92 THR 15.700 0.761 14 14 "[******-* ****+*]"
1 93 TYR 37.302 1.390 5 14 "[*** +*****-****]"
1 94 TYR 3.288 0.892 8 1 "[ . + 1 .]"
1 95 ASP 17.795 1.797 9 10 "[**- ** *+1* * *]"
1 96 ASN 30.424 1.453 8 13 "[*-*****+ **** *]"
1 97 ASN 56.975 2.538 15 15 [**-***********+]
1 98 ASN 12.665 1.048 5 7 "[*- +* * 1 **]"
1 99 SER 19.134 1.474 9 10 "[* **** *+1* * *]"
1 100 ALA 4.250 0.591 14 1 "[ . 1 +.]"
1 101 ASN 57.558 2.538 15 15 [********-*****+]
1 102 TYR 68.568 2.426 9 15 [****-***+******]
1 103 GLN 21.482 1.042 9 13 "[*-* * **+******]"
1 104 VAL 47.080 1.356 15 15 [-*************+]
1 105 SER 31.816 1.108 15 15 [****-*********+]
1 106 THR 5.728 0.535 15 2 "[ - 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 1 ALA HA 1 2 SER H 2.700 . 2.700 2.493 2.265 2.938 0.238 11 0 "[ . 1 .]" 1
2 1 1 ALA MB 1 2 SER H 2.700 . 3.500 2.249 1.737 2.611 0.063 11 0 "[ . 1 .]" 1
3 1 2 SER H 1 2 SER HB2 . . 3.500 2.949 2.501 3.669 0.169 3 0 "[ . 1 .]" 1
4 1 2 SER H 1 2 SER HB3 2.700 . 3.500 3.336 2.691 3.719 0.219 8 0 "[ . 1 .]" 1
5 1 2 SER H 1 3 ILE H 3.700 . 4.500 4.434 3.798 4.638 0.138 2 0 "[ . 1 .]" 1
6 1 2 SER H 1 5 SER H 3.700 . 6.000 8.506 5.855 10.423 4.423 14 14 "[**- *********+*]" 1
7 1 2 SER HA 1 2 SER HB3 2.700 . 3.700 2.465 2.356 3.034 . 0 0 "[ . 1 .]" 1
8 1 2 SER HA 1 3 ILE H 2.700 . 2.700 2.283 2.109 2.640 . 0 0 "[ . 1 .]" 1
9 1 2 SER HB2 1 3 ILE H . . 3.500 3.614 2.367 4.376 0.876 14 4 "[* . -*1 +.]" 1
10 1 2 SER HB3 1 3 ILE H 3.500 . 3.500 3.337 2.068 4.213 0.713 6 4 "[ *+* - .]" 1
11 1 3 ILE H 1 3 ILE HB . . 2.700 2.593 2.461 2.980 0.280 6 0 "[ . 1 .]" 1
12 1 3 ILE H 1 3 ILE MD 3.500 . 3.500 2.833 1.675 3.630 0.130 6 0 "[ . 1 .]" 1
13 1 3 ILE H 1 3 ILE QG 3.500 . 4.500 2.561 1.810 3.908 . 0 0 "[ . 1 .]" 1
14 1 3 ILE H 1 3 ILE MG 3.500 . 4.500 3.637 1.731 3.815 0.069 6 0 "[ . 1 .]" 1
15 1 3 ILE H 1 4 PRO HD2 4.000 . 6.000 3.030 2.104 4.772 . 0 0 "[ . 1 .]" 1
16 1 3 ILE H 1 4 PRO QD 3.200 . 4.500 2.755 2.066 4.265 . 0 0 "[ . 1 .]" 1
17 1 3 ILE HA 1 3 ILE MD 3.500 . 4.800 2.807 1.951 3.863 . 0 0 "[ . 1 .]" 1
18 1 3 ILE HA 1 3 ILE QG 3.500 . 4.800 2.695 2.345 3.084 . 0 0 "[ . 1 .]" 1
19 1 3 ILE HA 1 3 ILE MG 3.500 . 4.800 2.447 2.305 3.117 . 0 0 "[ . 1 .]" 1
20 1 3 ILE HB 1 3 ILE MD 3.500 . 4.800 2.802 2.278 3.241 . 0 0 "[ . 1 .]" 1
21 1 3 ILE MD 1 3 ILE MG 4.000 . 6.000 2.317 1.611 3.238 0.389 6 0 "[ . 1 .]" 1
22 1 3 ILE QG 1 4 PRO HD2 4.000 . 6.000 4.014 3.278 4.998 . 0 0 "[ . 1 .]" 1
23 1 3 ILE QG 1 26 TYR QE 4.000 . 6.000 3.657 1.998 5.261 0.002 4 0 "[ . 1 .]" 1
24 1 3 ILE QG 1 62 ILE MD 4.000 . 6.000 4.885 4.319 5.370 . 0 0 "[ . 1 .]" 1
25 1 3 ILE QG 1 65 SER QB 4.000 . 6.000 3.044 1.952 5.451 0.048 15 0 "[ . 1 .]" 1
26 1 3 ILE QG 1 67 TYR HB2 4.000 . 6.000 4.297 3.485 5.408 . 0 0 "[ . 1 .]" 1
27 1 3 ILE QG 1 67 TYR HB3 4.000 . 6.000 5.387 4.191 6.664 0.664 11 1 "[ . 1+ .]" 1
28 1 3 ILE QG 1 67 TYR QD 3.500 . 4.800 3.858 3.080 4.492 . 0 0 "[ . 1 .]" 1
29 1 3 ILE QG 1 67 TYR QE 4.000 . 6.000 4.313 3.082 5.113 . 0 0 "[ . 1 .]" 1
30 1 3 ILE MG 1 4 PRO HD2 4.000 . 6.000 3.551 2.022 4.407 . 0 0 "[ . 1 .]" 1
31 1 3 ILE MG 1 5 SER H 3.700 . 6.000 5.154 4.643 6.220 0.220 6 0 "[ . 1 .]" 1
32 1 3 ILE MG 1 26 TYR QE 4.000 . 6.000 2.518 1.843 5.119 0.157 1 0 "[ . 1 .]" 1
33 1 3 ILE MG 1 67 TYR QD 3.500 . 4.800 3.070 2.592 4.173 . 0 0 "[ . 1 .]" 1
34 1 3 ILE MG 1 67 TYR QE 4.000 . 6.000 3.005 2.070 4.581 . 0 0 "[ . 1 .]" 1
35 1 4 PRO HA 1 4 PRO HD2 4.000 . 6.000 3.994 3.891 4.101 . 0 0 "[ . 1 .]" 1
36 1 4 PRO HA 1 4 PRO HG2 4.000 . 6.000 3.936 3.841 4.093 . 0 0 "[ . 1 .]" 1
37 1 4 PRO HA 1 4 PRO HG3 4.000 . 6.000 3.614 2.933 4.035 . 0 0 "[ . 1 .]" 1
38 1 4 PRO HA 1 5 SER H . . 2.700 2.186 2.117 2.286 . 0 0 "[ . 1 .]" 1
39 1 4 PRO HA 1 6 SER H 3.700 . 6.000 4.212 3.136 5.063 . 0 0 "[ . 1 .]" 1
40 1 4 PRO HA 1 7 ALA H 3.700 . 6.000 5.219 4.137 8.388 2.388 14 1 "[ . 1 +.]" 1
41 1 4 PRO QB 1 4 PRO HD2 3.500 . 4.800 3.248 2.863 3.536 . 0 0 "[ . 1 .]" 1
42 1 4 PRO QB 1 4 PRO HD3 4.000 . 6.000 3.225 2.830 3.546 . 0 0 "[ . 1 .]" 1
43 1 4 PRO QB 1 5 SER H 3.500 . 3.500 3.084 2.732 3.194 . 0 0 "[ . 1 .]" 1
44 1 4 PRO QB 1 6 SER H 3.200 . 4.500 4.621 2.861 5.314 0.814 9 7 "[* *.* +* * -]" 1
45 1 4 PRO QB 1 7 ALA H 3.200 . 4.500 5.074 2.955 6.071 1.571 9 10 "[- *** +* ****]" 1
46 1 4 PRO HG2 1 5 SER H 3.700 . 6.000 5.163 4.726 5.559 . 0 0 "[ . 1 .]" 1
47 1 4 PRO HG2 1 67 TYR QD 4.000 . 6.000 5.437 3.958 6.274 0.274 10 0 "[ . 1 .]" 1
48 1 4 PRO HG2 1 67 TYR QE 4.000 . 6.000 3.874 2.575 4.811 . 0 0 "[ . 1 .]" 1
49 1 4 PRO HG3 1 5 SER H 3.700 . 6.000 5.310 4.915 5.582 . 0 0 "[ . 1 .]" 1
50 1 4 PRO HG3 1 67 TYR QD 3.500 . 4.800 4.636 3.568 5.585 0.785 11 2 "[ . - 1+ .]" 1
51 1 4 PRO HG3 1 67 TYR QE 4.000 . 6.000 3.166 2.036 6.134 0.134 8 0 "[ . 1 .]" 1
52 1 5 SER H 1 5 SER HA . . 2.700 2.866 2.247 2.948 0.248 2 0 "[ . 1 .]" 1
53 1 5 SER H 1 5 SER QB . . 2.700 2.646 2.310 2.980 0.280 5 0 "[ . 1 .]" 1
54 1 5 SER H 1 6 SER H 2.700 . 2.700 2.395 1.728 3.283 0.583 14 1 "[ . 1 +.]" 1
55 1 5 SER HA 1 6 SER H 3.500 . 4.500 3.468 2.659 3.592 . 0 0 "[ . 1 .]" 1
56 1 5 SER QB 1 6 SER H 3.500 . 4.800 2.460 1.939 3.953 . 0 0 "[ . 1 .]" 1
57 1 6 SER H 1 6 SER HB2 . . 2.700 2.682 2.481 3.531 0.831 11 1 "[ . 1+ .]" 1
58 1 6 SER H 1 6 SER HB3 . . 3.500 3.221 2.423 3.759 0.259 9 0 "[ . 1 .]" 1
59 1 6 SER H 1 7 ALA MB 3.200 . 4.500 4.597 3.711 5.667 1.167 14 2 "[ .- 1 +.]" 1
60 1 6 SER HA 1 7 ALA H 2.700 . 3.700 3.487 2.641 3.588 . 0 0 "[ . 1 .]" 1
61 1 6 SER HB2 1 7 ALA H 3.200 . 4.500 2.799 1.985 3.669 . 0 0 "[ . 1 .]" 1
62 1 6 SER HB3 1 7 ALA H 3.500 . 4.800 3.058 2.012 4.295 . 0 0 "[ . 1 .]" 1
63 1 7 ALA H 1 7 ALA MB 2.700 . 3.500 2.428 2.067 2.637 . 0 0 "[ . 1 .]" 1
64 1 7 ALA H 1 8 SER H 4.000 . 6.000 4.365 4.203 4.585 . 0 0 "[ . 1 .]" 1
65 1 7 ALA HA 1 8 SER H . . 2.700 2.621 2.178 2.948 0.248 14 0 "[ . 1 .]" 1
66 1 7 ALA HA 1 9 VAL H . . 3.500 4.185 3.660 4.484 0.984 14 12 "[* *-*** ****+*]" 1
67 1 7 ALA MB 1 8 SER H 3.500 . 3.500 2.082 1.764 3.005 0.036 1 0 "[ . 1 .]" 1
68 1 7 ALA MB 1 9 VAL H . . 2.700 2.442 2.170 2.594 . 0 0 "[ . 1 .]" 1
69 1 8 SER H 1 8 SER HB2 3.500 . 3.500 2.609 2.404 2.919 . 0 0 "[ . 1 .]" 1
70 1 8 SER H 1 8 SER HB3 . . 3.500 3.586 3.482 3.652 0.152 2 0 "[ . 1 .]" 1
71 1 8 SER H 1 9 VAL H 2.700 . 2.700 2.453 2.100 2.635 . 0 0 "[ . 1 .]" 1
72 1 8 SER H 1 9 VAL QG 3.200 . 4.500 3.508 2.802 3.904 . 0 0 "[ . 1 .]" 1
73 1 8 SER HA 1 9 VAL H . . 3.500 3.417 3.120 3.506 0.006 13 0 "[ . 1 .]" 1
74 1 8 SER HA 1 28 LYS H 4.000 . 4.500 4.040 3.928 4.270 . 0 0 "[ . 1 .]" 1
75 1 8 SER HA 1 28 LYS QB 3.500 . 4.800 3.301 2.455 4.529 . 0 0 "[ . 1 .]" 1
76 1 8 SER HA 1 28 LYS QG 4.000 . 6.000 3.680 2.240 4.887 . 0 0 "[ . 1 .]" 1
77 1 8 SER HB2 1 9 VAL H 3.500 . 3.500 3.047 2.744 3.762 0.262 4 0 "[ . 1 .]" 1
78 1 8 SER HB2 1 9 VAL QG 3.500 . 4.800 2.795 2.425 3.067 . 0 0 "[ . 1 .]" 1
79 1 8 SER HB2 1 86 TYR QD 4.000 . 6.000 2.569 2.188 3.110 . 0 0 "[ . 1 .]" 1
80 1 8 SER HB2 1 86 TYR QE 4.000 . 6.000 2.983 2.281 3.416 . 0 0 "[ . 1 .]" 1
81 1 8 SER HB3 1 9 VAL H 4.000 . 6.000 4.094 3.825 4.366 . 0 0 "[ . 1 .]" 1
82 1 8 SER HB3 1 28 LYS H 3.700 . 6.000 4.050 3.244 5.002 . 0 0 "[ . 1 .]" 1
83 1 8 SER HB3 1 86 TYR QD 4.000 . 6.000 3.547 2.866 4.149 . 0 0 "[ . 1 .]" 1
84 1 8 SER HB3 1 86 TYR QE 4.000 . 6.000 2.595 1.950 3.353 0.050 15 0 "[ . 1 .]" 1
85 1 9 VAL H 1 9 VAL HB 3.500 . 4.500 3.407 3.244 3.561 . 0 0 "[ . 1 .]" 1
86 1 9 VAL H 1 9 VAL QG . . 2.700 2.193 1.987 2.332 . 0 0 "[ . 1 .]" 1
87 1 9 VAL H 1 10 GLN H 3.500 . 4.800 4.353 4.274 4.431 . 0 0 "[ . 1 .]" 1
88 1 9 VAL H 1 28 LYS H 3.700 . 6.000 4.723 4.428 5.016 . 0 0 "[ . 1 .]" 1
89 1 9 VAL HA 1 10 GLN H 2.700 . 2.700 2.234 2.157 2.292 . 0 0 "[ . 1 .]" 1
90 1 9 VAL HA 1 27 VAL HA 4.000 . 6.000 1.989 1.915 2.118 0.085 7 0 "[ . 1 .]" 1
91 1 9 VAL HA 1 27 VAL QG 4.000 . 6.000 3.169 2.695 3.401 . 0 0 "[ . 1 .]" 1
92 1 9 VAL HA 1 28 LYS H 3.500 . 4.500 2.968 2.703 3.437 . 0 0 "[ . 1 .]" 1
93 1 9 VAL HB 1 9 VAL QG 2.200 . 2.700 1.883 1.878 1.886 . 0 0 "[ . 1 .]" 1
94 1 9 VAL HB 1 10 GLN H 3.500 . 4.800 3.757 3.638 3.927 . 0 0 "[ . 1 .]" 1
95 1 9 VAL HB 1 28 LYS H 3.700 . 6.000 3.791 3.456 4.427 . 0 0 "[ . 1 .]" 1
96 1 9 VAL HB 1 86 TYR HB3 4.000 . 6.000 4.697 4.037 5.006 . 0 0 "[ . 1 .]" 1
97 1 9 VAL HB 1 86 TYR QD 3.500 . 4.800 3.793 3.340 4.016 . 0 0 "[ . 1 .]" 1
98 1 9 VAL HB 1 86 TYR QE 4.000 . 6.000 4.416 4.055 4.848 . 0 0 "[ . 1 .]" 1
99 1 9 VAL QG 1 10 GLN H . . 2.700 2.117 1.951 2.244 . 0 0 "[ . 1 .]" 1
100 1 9 VAL QG 1 11 LEU H 2.500 . 3.500 3.784 3.246 4.175 0.675 8 3 "[ .* + 1 -.]" 1
101 1 9 VAL QG 1 86 TYR H 4.000 . 6.000 3.759 3.466 3.972 . 0 0 "[ . 1 .]" 1
102 1 9 VAL QG 1 86 TYR HB2 4.000 . 6.000 1.935 1.720 2.181 0.280 1 0 "[ . 1 .]" 1
103 1 9 VAL QG 1 86 TYR HB3 4.000 . 6.000 2.909 2.481 3.194 . 0 0 "[ . 1 .]" 1
104 1 9 VAL QG 1 86 TYR QD 3.500 . 4.800 2.952 2.571 3.203 . 0 0 "[ . 1 .]" 1
105 1 9 VAL QG 1 86 TYR QE 4.000 . 6.000 4.054 3.781 4.376 . 0 0 "[ . 1 .]" 1
106 1 9 VAL QG 1 93 TYR H 3.700 . 6.000 4.874 4.508 5.279 . 0 0 "[ . 1 .]" 1
107 1 9 VAL QG 1 93 TYR HB3 4.000 . 6.000 4.001 3.553 4.563 . 0 0 "[ . 1 .]" 1
108 1 9 VAL QG 1 93 TYR QD 4.000 . 6.000 4.045 3.639 4.262 . 0 0 "[ . 1 .]" 1
109 1 9 VAL QG 1 94 TYR H 3.200 . 4.500 3.934 3.550 4.741 0.241 8 0 "[ . 1 .]" 1
110 1 9 VAL QG 1 94 TYR HA 4.000 . 6.000 3.972 3.475 4.568 . 0 0 "[ . 1 .]" 1
111 1 9 VAL QG 1 95 ASP H 3.200 . 4.500 3.515 3.205 3.929 . 0 0 "[ . 1 .]" 1
112 1 9 VAL QG 1 95 ASP HB2 3.500 . 4.800 2.202 1.738 3.878 0.062 7 0 "[ . 1 .]" 1
113 1 9 VAL QG 1 95 ASP HB3 4.000 . 6.000 2.976 2.485 4.215 . 0 0 "[ . 1 .]" 1
114 1 10 GLN H 1 10 GLN QB 3.500 . 4.500 2.638 2.526 2.716 . 0 0 "[ . 1 .]" 1
115 1 10 GLN H 1 10 GLN HG2 4.000 . 6.000 4.441 4.254 4.544 . 0 0 "[ . 1 .]" 1
116 1 10 GLN H 1 10 GLN HG3 3.200 . 4.500 4.814 4.772 4.885 0.385 6 0 "[ . 1 .]" 1
117 1 10 GLN H 1 11 LEU H . . 3.500 4.203 3.913 4.358 0.858 8 14 "[*** **-+*******]" 1
118 1 10 GLN H 1 26 TYR H . . 2.700 3.476 3.312 3.615 0.915 15 15 [**********-***+] 1
119 1 10 GLN H 1 26 TYR QB . . 3.500 3.345 3.284 3.483 . 0 0 "[ . 1 .]" 1
120 1 10 GLN H 1 26 TYR QD . . 3.500 3.937 3.822 3.992 0.492 10 0 "[ . 1 .]" 1
121 1 10 GLN H 1 26 TYR QE 3.700 . 6.000 6.096 5.914 6.172 0.172 7 0 "[ . 1 .]" 1
122 1 10 GLN H 1 27 VAL HA . . 3.500 2.949 2.570 3.161 . 0 0 "[ . 1 .]" 1
123 1 10 GLN H 1 27 VAL QG 3.200 . 4.500 3.376 2.919 4.063 . 0 0 "[ . 1 .]" 1
124 1 10 GLN HA 1 10 GLN HG2 3.500 . 4.800 3.037 2.788 3.195 . 0 0 "[ . 1 .]" 1
125 1 10 GLN HA 1 10 GLN HG3 3.500 . 4.800 2.676 2.569 2.815 . 0 0 "[ . 1 .]" 1
126 1 10 GLN HA 1 11 LEU H 2.700 . 3.500 2.215 2.158 2.318 . 0 0 "[ . 1 .]" 1
127 1 10 GLN QB 1 10 GLN HE21 4.000 . 6.000 2.292 1.622 2.841 0.378 13 0 "[ . 1 .]" 1
128 1 10 GLN QB 1 10 GLN HE22 3.700 . 6.000 3.387 3.117 3.613 . 0 0 "[ . 1 .]" 1
129 1 10 GLN QB 1 11 LEU H . . 3.500 3.727 3.459 3.944 0.444 4 0 "[ . 1 .]" 1
130 1 10 GLN QB 1 26 TYR H 3.700 . 6.000 4.353 4.037 4.707 . 0 0 "[ . 1 .]" 1
131 1 10 GLN HE21 1 10 GLN HG2 2.500 . 3.500 2.713 2.219 3.481 . 0 0 "[ . 1 .]" 1
132 1 10 GLN HE21 1 10 GLN HG3 4.000 . 6.000 3.322 2.258 3.496 . 0 0 "[ . 1 .]" 1
133 1 10 GLN HE21 1 26 TYR QE 4.000 . 6.000 5.383 4.338 6.552 0.552 2 1 "[ + . 1 .]" 1
134 1 10 GLN HG2 1 11 LEU H 3.500 . 3.500 2.905 2.102 3.527 0.027 4 0 "[ . 1 .]" 1
135 1 10 GLN HG3 1 11 LEU H 3.500 . 3.500 3.300 2.805 3.725 0.225 4 0 "[ . 1 .]" 1
136 1 11 LEU H 1 11 LEU QB 3.500 . 3.500 2.251 2.227 2.290 . 0 0 "[ . 1 .]" 1
137 1 11 LEU H 1 11 LEU MD1 4.000 . 4.500 4.163 4.049 4.300 . 0 0 "[ . 1 .]" 1
138 1 11 LEU H 1 11 LEU MD2 4.000 . 4.500 4.207 4.133 4.279 . 0 0 "[ . 1 .]" 1
139 1 11 LEU H 1 11 LEU HG 4.000 . 4.500 4.445 4.353 4.502 0.002 13 0 "[ . 1 .]" 1
140 1 11 LEU H 1 12 ASP H 4.000 . 6.000 4.559 4.518 4.589 . 0 0 "[ . 1 .]" 1
141 1 11 LEU H 1 84 ILE QG 4.000 . 6.000 4.909 4.293 5.371 . 0 0 "[ . 1 .]" 1
142 1 11 LEU H 1 95 ASP HB2 4.000 . 6.000 4.560 3.752 6.680 0.680 8 1 "[ . + 1 .]" 1
143 1 11 LEU H 1 95 ASP HB3 4.000 . 6.000 4.513 3.923 5.759 . 0 0 "[ . 1 .]" 1
144 1 11 LEU HA 1 11 LEU MD1 3.500 . 4.800 2.325 1.990 3.421 . 0 0 "[ . 1 .]" 1
145 1 11 LEU HA 1 11 LEU MD2 4.000 . 6.000 3.867 3.400 3.941 . 0 0 "[ . 1 .]" 1
146 1 11 LEU HA 1 11 LEU HG 3.500 . 4.800 2.924 2.384 3.069 . 0 0 "[ . 1 .]" 1
147 1 11 LEU HA 1 12 ASP H 2.700 . 2.700 2.162 2.087 2.209 . 0 0 "[ . 1 .]" 1
148 1 11 LEU HA 1 13 SER H 3.200 . 4.500 4.379 4.205 4.539 0.039 15 0 "[ . 1 .]" 1
149 1 11 LEU HA 1 25 ILE HA 4.000 . 6.000 2.724 2.189 2.971 . 0 0 "[ . 1 .]" 1
150 1 11 LEU HA 1 25 ILE MG 4.000 . 6.000 2.413 1.962 2.917 0.038 4 0 "[ . 1 .]" 1
151 1 11 LEU HA 1 26 TYR H 4.000 . 4.500 3.017 2.167 3.233 . 0 0 "[ . 1 .]" 1
152 1 11 LEU HA 1 84 ILE QG 4.000 . 6.000 4.380 3.918 4.815 . 0 0 "[ . 1 .]" 1
153 1 11 LEU QB 1 11 LEU MD1 4.000 . 6.000 2.210 2.083 2.289 . 0 0 "[ . 1 .]" 1
154 1 11 LEU QB 1 12 ASP H . . 3.500 3.644 3.585 3.743 0.243 1 0 "[ . 1 .]" 1
155 1 11 LEU MD1 1 12 ASP H 3.500 . 3.500 2.703 2.319 4.122 0.622 4 1 "[ +. 1 .]" 1
156 1 11 LEU MD1 1 13 SER H 3.500 . 4.800 3.199 2.748 4.070 . 0 0 "[ . 1 .]" 1
157 1 11 LEU MD1 1 13 SER HA 4.000 . 6.000 4.115 3.543 5.144 . 0 0 "[ . 1 .]" 1
158 1 11 LEU MD1 1 14 TYR HB2 4.000 . 6.000 4.556 3.917 5.046 . 0 0 "[ . 1 .]" 1
159 1 11 LEU MD1 1 14 TYR HB3 4.000 . 6.000 3.080 2.420 3.549 . 0 0 "[ . 1 .]" 1
160 1 11 LEU MD1 1 14 TYR QD 4.000 . 6.000 2.536 1.674 3.162 0.326 6 0 "[ . 1 .]" 1
161 1 11 LEU MD1 1 14 TYR QE 3.500 . 4.800 3.910 3.019 4.348 . 0 0 "[ . 1 .]" 1
162 1 11 LEU MD1 1 25 ILE HA 4.000 . 6.000 2.968 2.480 3.715 . 0 0 "[ . 1 .]" 1
163 1 11 LEU MD1 1 25 ILE HB 4.000 . 6.000 4.676 4.130 5.488 . 0 0 "[ . 1 .]" 1
164 1 11 LEU MD1 1 26 TYR H 4.000 . 4.500 4.392 4.004 5.017 0.517 8 1 "[ . + 1 .]" 1
165 1 11 LEU MD2 1 12 ASP H 4.000 . 6.000 4.137 3.024 4.466 . 0 0 "[ . 1 .]" 1
166 1 11 LEU MD2 1 13 SER H 3.200 . 4.500 3.871 2.074 4.161 . 0 0 "[ . 1 .]" 1
167 1 11 LEU MD2 1 13 SER HA 4.000 . 6.000 3.222 2.611 3.872 . 0 0 "[ . 1 .]" 1
168 1 11 LEU MD2 1 14 TYR H 4.000 . 6.000 4.003 3.125 4.576 . 0 0 "[ . 1 .]" 1
169 1 11 LEU MD2 1 14 TYR HB2 4.000 . 6.000 4.791 4.043 5.021 . 0 0 "[ . 1 .]" 1
170 1 11 LEU MD2 1 14 TYR HB3 4.000 . 6.000 3.591 2.578 3.860 . 0 0 "[ . 1 .]" 1
171 1 11 LEU MD2 1 14 TYR QD 3.500 . 4.800 1.811 1.624 2.071 0.176 4 0 "[ . 1 .]" 1
172 1 11 LEU MD2 1 14 TYR QE 4.000 . 6.000 2.167 1.984 3.167 0.016 8 0 "[ . 1 .]" 1
173 1 11 LEU HG 1 12 ASP H . . 3.500 2.627 2.220 2.958 . 0 0 "[ . 1 .]" 1
174 1 11 LEU HG 1 13 SER H 2.200 . 2.700 2.799 2.736 2.958 0.258 4 0 "[ . 1 .]" 1
175 1 12 ASP H 1 12 ASP HB2 3.500 . 3.500 2.624 2.399 2.813 . 0 0 "[ . 1 .]" 1
176 1 12 ASP H 1 12 ASP HB3 3.500 . 3.500 2.547 2.418 2.899 . 0 0 "[ . 1 .]" 1
177 1 12 ASP H 1 13 SER H 3.500 . 3.500 2.551 2.315 2.657 . 0 0 "[ . 1 .]" 1
178 1 12 ASP H 1 24 LYS H 3.700 . 6.000 4.678 4.348 4.946 . 0 0 "[ . 1 .]" 1
179 1 12 ASP H 1 25 ILE HA 2.500 . 3.500 2.174 1.891 2.467 . 0 0 "[ . 1 .]" 1
180 1 12 ASP H 1 25 ILE HB 4.000 . 6.000 5.167 4.864 5.455 . 0 0 "[ . 1 .]" 1
181 1 12 ASP H 1 25 ILE MG 4.000 . 6.000 3.528 3.193 3.891 . 0 0 "[ . 1 .]" 1
182 1 12 ASP HA 1 12 ASP HB3 2.700 . 3.700 3.023 2.969 3.038 . 0 0 "[ . 1 .]" 1
183 1 12 ASP HA 1 13 SER H 3.500 . 3.500 3.535 3.508 3.553 0.053 4 0 "[ . 1 .]" 1
184 1 12 ASP HB2 1 13 SER H . . 3.500 3.502 3.386 3.588 0.088 13 0 "[ . 1 .]" 1
185 1 12 ASP HB2 1 24 LYS H 3.700 . 6.000 5.316 4.906 5.596 . 0 0 "[ . 1 .]" 1
186 1 12 ASP HB2 1 26 TYR H 3.700 . 6.000 3.846 3.496 4.128 . 0 0 "[ . 1 .]" 1
187 1 12 ASP HB2 1 69 TYR QE 4.000 . 6.000 3.557 2.712 4.384 . 0 0 "[ . 1 .]" 1
188 1 12 ASP HB3 1 13 SER H . . 2.700 2.085 1.865 2.447 . 0 0 "[ . 1 .]" 1
189 1 12 ASP HB3 1 24 LYS H 3.700 . 6.000 3.756 3.391 4.047 . 0 0 "[ . 1 .]" 1
190 1 12 ASP HB3 1 24 LYS QB 4.000 . 6.000 3.952 3.534 4.379 . 0 0 "[ . 1 .]" 1
191 1 12 ASP HB3 1 24 LYS QG 4.000 . 6.000 2.129 1.978 2.370 0.022 11 0 "[ . 1 .]" 1
192 1 12 ASP HB3 1 26 TYR H 3.700 . 6.000 4.841 4.553 5.384 . 0 0 "[ . 1 .]" 1
193 1 12 ASP HB3 1 69 TYR QD 4.000 . 6.000 5.936 5.529 6.656 0.656 15 1 "[ . 1 +]" 1
194 1 12 ASP HB3 1 69 TYR QE 4.000 . 6.000 4.397 3.695 5.631 . 0 0 "[ . 1 .]" 1
195 1 13 SER H 1 13 SER QB 3.500 . 3.500 3.252 2.966 3.453 . 0 0 "[ . 1 .]" 1
196 1 13 SER H 1 14 TYR H 4.000 . 4.500 4.299 4.253 4.326 . 0 0 "[ . 1 .]" 1
197 1 13 SER H 1 14 TYR HA 3.700 . 6.000 4.897 4.791 4.974 . 0 0 "[ . 1 .]" 1
198 1 13 SER H 1 24 LYS H 3.500 . 3.500 3.096 2.940 3.370 . 0 0 "[ . 1 .]" 1
199 1 13 SER H 1 24 LYS QB 2.500 . 3.500 4.873 4.677 5.160 1.660 7 15 [******+*-******] 1
200 1 13 SER H 1 24 LYS QG 2.500 . 3.500 3.304 2.850 3.461 . 0 0 "[ . 1 .]" 1
201 1 13 SER H 1 25 ILE HA 3.200 . 4.500 3.950 3.608 4.262 . 0 0 "[ . 1 .]" 1
202 1 13 SER HA 1 14 TYR H 2.700 . 2.700 2.292 2.197 2.363 . 0 0 "[ . 1 .]" 1
203 1 13 SER HA 1 14 TYR QD 4.000 . 6.000 3.473 2.925 4.013 . 0 0 "[ . 1 .]" 1
204 1 13 SER QB 1 14 TYR H . . 2.700 2.423 2.233 2.612 . 0 0 "[ . 1 .]" 1
205 1 14 TYR H 1 14 TYR HB2 4.000 . 4.500 3.942 3.894 3.991 . 0 0 "[ . 1 .]" 1
206 1 14 TYR H 1 14 TYR HB3 . . 3.500 3.397 3.331 3.465 . 0 0 "[ . 1 .]" 1
207 1 14 TYR H 1 14 TYR QD 3.500 . 3.500 3.234 3.014 3.463 . 0 0 "[ . 1 .]" 1
208 1 14 TYR H 1 14 TYR QE 2.500 . 3.500 4.515 4.334 4.721 1.221 8 15 [*******+******-] 1
209 1 14 TYR H 1 15 ASN H 3.200 . 4.500 4.318 4.265 4.368 . 0 0 "[ . 1 .]" 1
210 1 14 TYR H 1 24 LYS QG 3.200 . 4.500 6.156 5.004 6.653 2.153 15 15 [-*************+] 1
211 1 14 TYR HA 1 14 TYR QD 4.000 . 6.000 3.715 3.688 3.733 . 0 0 "[ . 1 .]" 1
212 1 14 TYR HA 1 15 ASN H 2.700 . 3.500 2.377 2.289 2.447 . 0 0 "[ . 1 .]" 1
213 1 14 TYR HA 1 21 PHE HA 4.000 . 6.000 6.062 5.975 6.113 0.113 9 0 "[ . 1 .]" 1
214 1 14 TYR HA 1 23 GLY H 3.700 . 6.000 4.268 3.368 4.470 . 0 0 "[ . 1 .]" 1
215 1 14 TYR HA 1 23 GLY QA 3.500 . 4.800 1.964 1.865 2.273 . 0 0 "[ . 1 .]" 1
216 1 14 TYR HA 1 24 LYS H 4.000 . 4.500 3.589 3.342 3.862 . 0 0 "[ . 1 .]" 1
217 1 14 TYR HB2 1 14 TYR QE 3.500 . 4.800 4.405 4.369 4.449 . 0 0 "[ . 1 .]" 1
218 1 14 TYR HB2 1 15 ASN H . . 3.500 2.607 2.489 2.798 . 0 0 "[ . 1 .]" 1
219 1 14 TYR HB2 1 24 LYS H 3.700 . 6.000 4.995 4.666 5.303 . 0 0 "[ . 1 .]" 1
220 1 14 TYR HB2 1 72 PHE QE 4.000 . 6.000 5.091 3.090 5.918 . 0 0 "[ . 1 .]" 1
221 1 14 TYR HB3 1 15 ASN H . . 3.500 3.893 3.805 4.021 0.521 8 2 "[ -. + 1 .]" 1
222 1 14 TYR HB3 1 24 LYS H 3.700 . 6.000 3.806 3.499 4.051 . 0 0 "[ . 1 .]" 1
223 1 14 TYR HB3 1 72 PHE QE 4.000 . 6.000 4.490 3.118 5.472 . 0 0 "[ . 1 .]" 1
224 1 14 TYR QD 1 15 ASN H 3.500 . 3.500 3.294 3.114 3.491 . 0 0 "[ . 1 .]" 1
225 1 14 TYR QD 1 16 TYR H 3.200 . 4.500 4.698 4.237 5.111 0.611 3 2 "[ -+ . 1 .]" 1
226 1 14 TYR QD 1 21 PHE QE 3.500 . 4.800 3.450 2.725 3.841 . 0 0 "[ . 1 .]" 1
227 1 14 TYR QD 1 104 VAL MG2 4.000 . 6.000 4.480 3.897 5.356 . 0 0 "[ . 1 .]" 1
228 1 14 TYR QE 1 15 ASN HA 3.500 . 4.800 4.735 4.423 4.798 . 0 0 "[ . 1 .]" 1
229 1 14 TYR QE 1 16 TYR H 3.700 . 6.000 5.671 5.132 6.168 0.168 2 0 "[ . 1 .]" 1
230 1 14 TYR QE 1 21 PHE QE 3.500 . 4.800 3.994 2.899 4.634 . 0 0 "[ . 1 .]" 1
231 1 14 TYR QE 1 104 VAL MG1 3.500 . 4.800 2.882 2.121 3.468 . 0 0 "[ . 1 .]" 1
232 1 14 TYR QE 1 104 VAL MG2 3.500 . 4.800 3.211 2.277 4.081 . 0 0 "[ . 1 .]" 1
233 1 15 ASN H 1 15 ASN HB2 3.500 . 3.500 2.896 2.495 3.329 . 0 0 "[ . 1 .]" 1
234 1 15 ASN H 1 15 ASN HB3 3.500 . 3.500 3.419 2.714 3.809 0.309 15 0 "[ . 1 .]" 1
235 1 15 ASN H 1 15 ASN QD 3.200 . 4.500 4.115 2.803 4.913 0.413 9 0 "[ . 1 .]" 1
236 1 15 ASN H 1 16 TYR H 4.000 . 6.000 4.413 4.353 4.473 . 0 0 "[ . 1 .]" 1
237 1 15 ASN H 1 21 PHE HA 3.200 . 4.500 4.195 4.023 4.415 . 0 0 "[ . 1 .]" 1
238 1 15 ASN H 1 21 PHE QD 4.000 . 6.000 4.818 4.577 5.188 . 0 0 "[ . 1 .]" 1
239 1 15 ASN H 1 21 PHE QE 4.000 . 6.000 5.027 4.616 5.675 . 0 0 "[ . 1 .]" 1
240 1 15 ASN H 1 22 SER H 3.500 . 3.500 2.687 2.477 2.849 . 0 0 "[ . 1 .]" 1
241 1 15 ASN H 1 22 SER QB 3.200 . 4.500 4.180 3.584 4.755 0.255 9 0 "[ . 1 .]" 1
242 1 15 ASN H 1 23 GLY QA 2.500 . 3.500 3.444 3.286 3.644 0.144 5 0 "[ . 1 .]" 1
243 1 15 ASN HA 1 16 TYR H 2.700 . 2.700 2.352 2.249 2.425 . 0 0 "[ . 1 .]" 1
244 1 15 ASN HA 1 22 SER H 2.500 . 3.500 4.939 4.784 5.063 1.563 14 15 [**-**********+*] 1
245 1 15 ASN HB2 1 15 ASN QD . . 2.700 2.375 2.173 2.863 0.163 3 0 "[ . 1 .]" 1
246 1 15 ASN HB2 1 16 TYR H . . 3.500 3.727 3.525 3.794 0.294 14 0 "[ . 1 .]" 1
247 1 15 ASN HB2 1 22 SER H 3.700 . 6.000 4.543 3.472 5.657 . 0 0 "[ . 1 .]" 1
248 1 15 ASN HB3 1 15 ASN QD 4.000 . 6.000 2.946 2.151 3.343 . 0 0 "[ . 1 .]" 1
249 1 15 ASN HB3 1 16 TYR H . . 3.500 2.859 2.315 3.568 0.068 14 0 "[ . 1 .]" 1
250 1 15 ASN HB3 1 22 SER H 3.700 . 6.000 4.756 3.821 5.656 . 0 0 "[ . 1 .]" 1
251 1 15 ASN QD 1 16 TYR H 4.000 . 4.500 4.117 2.109 5.066 0.566 8 4 "[ -.* + * .]" 1
252 1 16 TYR H 1 16 TYR HA . . 2.700 2.928 2.882 2.951 0.251 11 0 "[ . 1 .]" 1
253 1 16 TYR H 1 16 TYR QB . . 3.500 2.623 2.448 2.764 . 0 0 "[ . 1 .]" 1
254 1 16 TYR H 1 16 TYR QD 3.200 . 4.500 4.280 3.247 4.489 . 0 0 "[ . 1 .]" 1
255 1 16 TYR H 1 17 ASP H 3.200 . 4.500 4.332 4.173 4.445 . 0 0 "[ . 1 .]" 1
256 1 16 TYR HA 1 16 TYR QD 2.700 . 3.700 2.515 1.795 2.800 0.005 13 0 "[ . 1 .]" 1
257 1 16 TYR HA 1 16 TYR QE 3.500 . 4.800 4.438 4.163 4.580 . 0 0 "[ . 1 .]" 1
258 1 16 TYR HA 1 17 ASP H 2.700 . 2.700 2.238 2.159 2.284 . 0 0 "[ . 1 .]" 1
259 1 16 TYR HA 1 21 PHE HA 3.500 . 4.800 3.281 3.000 3.581 . 0 0 "[ . 1 .]" 1
260 1 16 TYR HA 1 22 SER H . . 3.500 4.226 3.766 4.805 1.305 12 12 "[** ***-* **+**.]" 1
261 1 16 TYR QB 1 16 TYR QE 4.000 . 4.800 3.938 3.906 3.980 . 0 0 "[ . 1 .]" 1
262 1 16 TYR QB 1 17 ASP H . . 3.500 3.347 2.792 3.496 . 0 0 "[ . 1 .]" 1
263 1 16 TYR QB 1 22 SER H 3.200 . 4.500 5.303 4.730 5.598 1.098 11 13 "[ **** -***+****]" 1
264 1 16 TYR QB 1 104 VAL MG1 3.500 . 4.800 2.950 2.266 3.482 . 0 0 "[ . 1 .]" 1
265 1 16 TYR QD 1 17 ASP H . . 3.500 3.133 2.369 3.911 0.411 3 0 "[ . 1 .]" 1
266 1 16 TYR QD 1 20 THR H 3.700 . 6.000 3.385 1.859 5.465 0.141 8 0 "[ . 1 .]" 1
267 1 16 TYR QD 1 21 PHE H 3.500 . 4.500 4.675 3.961 4.827 0.327 6 0 "[ . 1 .]" 1
268 1 16 TYR QD 1 21 PHE HA 3.500 . 4.800 3.211 2.752 3.795 . 0 0 "[ . 1 .]" 1
269 1 16 TYR QD 1 21 PHE QB 3.500 . 4.800 3.591 2.806 4.353 . 0 0 "[ . 1 .]" 1
270 1 16 TYR QD 1 22 SER H 2.500 . 3.500 4.885 4.292 5.213 1.713 4 15 [**-+***********] 1
271 1 16 TYR QD 1 76 VAL MG2 4.000 . 6.000 3.218 2.825 3.425 . 0 0 "[ . 1 .]" 1
272 1 16 TYR QD 1 79 ILE MG 3.500 . 4.800 3.277 2.854 3.782 . 0 0 "[ . 1 .]" 1
273 1 16 TYR QD 1 106 THR MG 4.000 . 6.000 3.628 2.724 4.695 . 0 0 "[ . 1 .]" 1
274 1 16 TYR QE 1 20 THR H 3.700 . 6.000 3.575 2.653 6.122 0.122 12 0 "[ . 1 .]" 1
275 1 16 TYR QE 1 21 PHE H 3.700 . 6.000 4.862 3.684 5.709 . 0 0 "[ . 1 .]" 1
276 1 16 TYR QE 1 76 VAL H 2.500 . 3.500 4.883 4.039 5.627 2.127 3 15 [**+********-***] 1
277 1 16 TYR QE 1 76 VAL MG2 3.500 . 4.800 2.021 1.652 2.722 0.148 12 0 "[ . 1 .]" 1
278 1 16 TYR QE 1 79 ILE MD 4.000 . 6.000 4.327 2.253 5.286 . 0 0 "[ . 1 .]" 1
279 1 16 TYR QE 1 79 ILE MG 3.500 . 4.800 2.414 1.988 2.768 . 0 0 "[ . 1 .]" 1
280 1 16 TYR QE 1 106 THR MG 4.000 . 6.000 3.065 1.625 4.879 0.375 10 0 "[ . 1 .]" 1
281 1 17 ASP H 1 17 ASP HB2 3.500 . 3.500 3.384 2.691 4.106 0.606 7 1 "[ . + 1 .]" 1
282 1 17 ASP H 1 17 ASP HB3 3.500 . 3.500 3.230 2.769 3.857 0.357 5 0 "[ . 1 .]" 1
283 1 17 ASP H 1 18 GLY QA 3.700 . 6.000 4.553 4.156 4.812 . 0 0 "[ . 1 .]" 1
284 1 17 ASP H 1 19 SER H 3.500 . 3.500 4.604 2.544 4.845 1.345 9 14 "[*******-+** ***]" 1
285 1 17 ASP H 1 19 SER QB 3.700 . 6.000 5.493 2.055 5.963 . 0 0 "[ . 1 .]" 1
286 1 17 ASP H 1 20 THR H 3.500 . 3.500 2.580 2.179 4.850 1.350 12 1 "[ . 1 + .]" 1
287 1 17 ASP H 1 20 THR HB 3.200 . 4.500 3.121 2.414 6.464 1.964 12 1 "[ . 1 + .]" 1
288 1 17 ASP H 1 20 THR MG 3.700 . 6.000 4.447 3.899 6.587 0.587 12 1 "[ . 1 + .]" 1
289 1 17 ASP H 1 21 PHE HA 4.000 . 4.500 4.871 4.511 5.345 0.845 12 5 "[* - .* 1 + *]" 1
290 1 17 ASP HA 1 18 GLY H 2.700 . 3.500 2.259 2.143 2.962 . 0 0 "[ . 1 .]" 1
291 1 17 ASP HA 1 20 THR H 2.500 . 3.500 4.995 4.719 7.397 3.897 12 15 [**********-+***] 1
292 1 17 ASP HA 1 76 VAL H 3.700 . 6.000 9.387 9.113 9.630 3.630 12 15 [****-******+***] 1
293 1 17 ASP HB2 1 18 GLY H 3.500 . 4.800 4.195 3.211 4.675 . 0 0 "[ . 1 .]" 1
294 1 17 ASP HB3 1 18 GLY H 4.000 . 6.000 4.098 2.499 4.450 . 0 0 "[ . 1 .]" 1
295 1 18 GLY H 1 18 GLY QA 3.500 . 3.500 2.212 2.201 2.229 . 0 0 "[ . 1 .]" 1
296 1 18 GLY H 1 20 THR H 3.700 . 6.000 5.073 4.530 6.634 0.634 12 1 "[ . 1 + .]" 1
297 1 18 GLY QA 1 19 SER H . . 3.500 2.215 2.136 2.596 . 0 0 "[ . 1 .]" 1
298 1 18 GLY QA 1 20 THR H 3.200 . 4.500 4.571 4.345 5.790 1.290 12 1 "[ . 1 + .]" 1
299 1 19 SER H 1 19 SER QB 2.200 . 2.700 2.637 2.580 2.720 0.020 12 0 "[ . 1 .]" 1
300 1 19 SER H 1 20 THR H . . 2.700 3.556 3.396 4.005 1.305 12 15 [********-**+***] 1
301 1 19 SER H 1 20 THR HB 4.000 . 4.500 4.835 4.517 6.088 1.588 12 3 "[ .* - 1 + .]" 1
302 1 19 SER HA 1 20 THR H 4.000 . 4.500 2.268 2.213 2.297 . 0 0 "[ . 1 .]" 1
303 1 19 SER HA 1 76 VAL H 3.200 . 4.500 5.218 4.471 5.874 1.374 12 10 "[ **. -***+***]" 1
304 1 19 SER QB 1 20 THR H 3.500 . 3.500 3.798 2.343 4.026 0.526 15 4 "[ ** . 1 -+]" 1
305 1 20 THR H 1 20 THR HB 3.500 . 3.500 2.880 2.341 3.004 . 0 0 "[ . 1 .]" 1
306 1 20 THR H 1 20 THR MG 3.500 . 3.500 3.935 3.690 3.995 0.495 4 0 "[ . 1 .]" 1
307 1 20 THR H 1 21 PHE H 3.700 . 6.000 4.256 4.145 4.578 . 0 0 "[ . 1 .]" 1
308 1 20 THR HA 1 20 THR MG 3.500 . 4.800 2.371 2.271 2.519 . 0 0 "[ . 1 .]" 1
309 1 20 THR HA 1 21 PHE H 2.700 . 2.700 2.208 2.177 2.241 . 0 0 "[ . 1 .]" 1
310 1 20 THR HA 1 76 VAL H 2.500 . 3.500 2.633 2.321 3.224 . 0 0 "[ . 1 .]" 1
311 1 20 THR HA 1 77 LYS H 3.700 . 6.000 6.850 6.435 7.664 1.664 2 12 "[*+-******1 ***.]" 1
312 1 20 THR HB 1 21 PHE H 3.200 . 4.500 4.048 3.883 4.175 . 0 0 "[ . 1 .]" 1
313 1 20 THR HB 1 77 LYS H 3.700 . 6.000 9.647 9.274 10.221 4.221 2 15 [*+************-] 1
314 1 20 THR MG 1 21 PHE H . . 2.700 2.476 2.366 2.555 . 0 0 "[ . 1 .]" 1
315 1 20 THR MG 1 21 PHE HA 3.500 . 4.800 3.675 3.236 3.907 . 0 0 "[ . 1 .]" 1
316 1 20 THR MG 1 22 SER HA 4.000 . 6.000 4.532 3.931 5.645 . 0 0 "[ . 1 .]" 1
317 1 20 THR MG 1 22 SER QB 4.000 . 6.000 3.247 2.325 4.662 . 0 0 "[ . 1 .]" 1
318 1 20 THR MG 1 74 ALA H 3.500 . 3.500 3.514 2.602 3.978 0.478 6 0 "[ . 1 .]" 1
319 1 20 THR MG 1 75 SER HA 4.000 . 6.000 3.182 1.798 4.149 0.202 12 0 "[ . 1 .]" 1
320 1 20 THR MG 1 76 VAL H 3.700 . 6.000 4.047 3.496 4.829 . 0 0 "[ . 1 .]" 1
321 1 21 PHE H 1 21 PHE HA . . 2.700 2.942 2.885 2.958 0.258 14 0 "[ . 1 .]" 1
322 1 21 PHE H 1 21 PHE QB . . 2.700 2.483 2.200 2.659 . 0 0 "[ . 1 .]" 1
323 1 21 PHE H 1 21 PHE QD 4.000 . 4.500 4.279 4.104 4.376 . 0 0 "[ . 1 .]" 1
324 1 21 PHE H 1 22 SER H . . 3.500 4.222 3.899 4.503 1.003 12 11 "[* **-* ****+ *.]" 1
325 1 21 PHE H 1 74 ALA H . . 2.700 3.460 3.129 3.741 1.041 13 14 "[*-******** *+**]" 1
326 1 21 PHE H 1 74 ALA MB . . 3.500 3.338 3.064 3.545 0.045 13 0 "[ . 1 .]" 1
327 1 21 PHE H 1 75 SER HA . . 3.500 3.364 2.959 3.778 0.278 11 0 "[ . 1 .]" 1
328 1 21 PHE H 1 76 VAL H . . 3.500 2.995 2.789 3.333 . 0 0 "[ . 1 .]" 1
329 1 21 PHE H 1 76 VAL HB 3.200 . 4.500 5.365 4.889 5.869 1.369 6 13 "[** **+**-* ****]" 1
330 1 21 PHE H 1 76 VAL MG1 . . 3.500 2.878 2.383 3.632 0.132 6 0 "[ . 1 .]" 1
331 1 21 PHE H 1 76 VAL MG2 4.000 . 4.500 2.868 2.536 3.318 . 0 0 "[ . 1 .]" 1
332 1 21 PHE HA 1 21 PHE QD 4.000 . 6.000 2.799 2.190 3.307 . 0 0 "[ . 1 .]" 1
333 1 21 PHE HA 1 22 SER H 2.700 . 2.700 2.122 2.052 2.195 . 0 0 "[ . 1 .]" 1
334 1 21 PHE HA 1 74 ALA H 3.700 . 6.000 4.825 4.388 5.233 . 0 0 "[ . 1 .]" 1
335 1 21 PHE QB 1 21 PHE QD 3.500 . 4.800 2.126 2.110 2.171 . 0 0 "[ . 1 .]" 1
336 1 21 PHE QB 1 22 SER H . . 3.500 3.724 3.600 3.931 0.431 15 0 "[ . 1 .]" 1
337 1 21 PHE QB 1 74 ALA H 4.000 . 4.500 3.581 2.698 4.409 . 0 0 "[ . 1 .]" 1
338 1 21 PHE QB 1 76 VAL H 3.700 . 6.000 3.752 3.349 4.296 . 0 0 "[ . 1 .]" 1
339 1 21 PHE QB 1 76 VAL MG1 3.500 . 4.800 1.784 1.670 1.912 0.130 15 0 "[ . 1 .]" 1
340 1 21 PHE QB 1 76 VAL MG2 4.000 . 6.000 2.370 1.778 3.067 0.222 15 0 "[ . 1 .]" 1
341 1 21 PHE QB 1 79 ILE HB 4.000 . 6.000 4.847 4.065 5.790 . 0 0 "[ . 1 .]" 1
342 1 21 PHE QB 1 79 ILE MD 4.000 . 6.000 3.849 3.406 4.593 . 0 0 "[ . 1 .]" 1
343 1 21 PHE QD 1 22 SER H 3.500 . 3.500 3.386 2.128 4.107 0.607 7 2 "[ . + 1 - .]" 1
344 1 21 PHE QD 1 38 VAL MG1 4.000 . 6.000 4.217 3.691 4.939 . 0 0 "[ . 1 .]" 1
345 1 21 PHE QD 1 74 ALA MB 3.500 . 4.800 2.918 1.762 4.275 0.038 15 0 "[ . 1 .]" 1
346 1 21 PHE QD 1 76 VAL MG1 3.500 . 4.800 2.963 2.114 3.235 . 0 0 "[ . 1 .]" 1
347 1 21 PHE QD 1 79 ILE MD 3.500 . 4.800 2.985 2.455 3.649 . 0 0 "[ . 1 .]" 1
348 1 21 PHE QD 1 79 ILE MG 4.000 . 4.800 3.340 2.697 3.995 . 0 0 "[ . 1 .]" 1
349 1 21 PHE QD 1 104 VAL MG2 4.000 . 6.000 4.348 4.000 4.817 . 0 0 "[ . 1 .]" 1
350 1 21 PHE QE 1 22 SER H 4.000 . 4.500 4.588 3.687 5.316 0.816 7 6 "[ * * + *1 * -]" 1
351 1 21 PHE QE 1 38 VAL MG1 3.500 . 4.800 3.575 1.500 4.224 0.300 15 0 "[ . 1 .]" 1
352 1 21 PHE QE 1 38 VAL MG2 4.000 . 6.000 4.197 3.021 5.435 . 0 0 "[ . 1 .]" 1
353 1 21 PHE QE 1 72 PHE QE 4.000 . 6.000 3.298 2.471 4.694 . 0 0 "[ . 1 .]" 1
354 1 21 PHE QE 1 76 VAL MG1 4.000 . 6.000 4.626 3.770 4.890 . 0 0 "[ . 1 .]" 1
355 1 21 PHE QE 1 79 ILE MD 3.500 . 4.800 3.055 2.584 3.973 . 0 0 "[ . 1 .]" 1
356 1 21 PHE QE 1 104 VAL MG2 4.000 . 6.000 3.731 2.794 4.952 . 0 0 "[ . 1 .]" 1
357 1 22 SER H 1 22 SER QB . . 3.500 3.049 2.659 3.468 . 0 0 "[ . 1 .]" 1
358 1 22 SER H 1 23 GLY H 4.000 . 4.500 4.259 3.956 4.481 . 0 0 "[ . 1 .]" 1
359 1 22 SER H 1 76 VAL MG1 4.000 . 6.000 5.314 5.209 5.416 . 0 0 "[ . 1 .]" 1
360 1 22 SER HA 1 22 SER QB 4.000 . 6.000 2.280 2.177 2.463 . 0 0 "[ . 1 .]" 1
361 1 22 SER HA 1 23 GLY H 3.500 . 3.500 2.257 2.107 2.557 . 0 0 "[ . 1 .]" 1
362 1 22 SER HA 1 72 PHE QD 4.000 . 6.000 4.571 2.637 5.362 . 0 0 "[ . 1 .]" 1
363 1 22 SER HA 1 74 ALA H 3.200 . 4.500 3.252 2.886 5.054 0.554 6 1 "[ .+ 1 .]" 1
364 1 22 SER QB 1 23 GLY H 2.700 . 3.700 2.919 1.890 3.328 . 0 0 "[ . 1 .]" 1
365 1 22 SER QB 1 74 ALA H . . 3.500 3.517 2.272 4.321 0.821 12 2 "[ . 1 + -.]" 1
366 1 23 GLY H 1 24 LYS H 4.000 . 4.500 4.190 2.953 4.383 . 0 0 "[ . 1 .]" 1
367 1 23 GLY H 1 24 LYS QB 3.700 . 6.000 4.778 4.616 4.904 . 0 0 "[ . 1 .]" 1
368 1 23 GLY H 1 24 LYS QG 3.200 . 4.500 5.848 5.074 6.360 1.860 15 15 [********-*****+] 1
369 1 23 GLY H 1 71 THR HA 4.000 . 6.000 5.185 4.977 5.451 . 0 0 "[ . 1 .]" 1
370 1 23 GLY H 1 72 PHE H . . 2.700 3.392 3.083 3.780 1.080 6 13 "[*-**.+* *******]" 1
371 1 23 GLY H 1 72 PHE HA 3.700 . 6.000 5.042 4.397 5.456 . 0 0 "[ . 1 .]" 1
372 1 23 GLY H 1 72 PHE QB 3.700 . 6.000 4.813 2.267 5.487 . 0 0 "[ . 1 .]" 1
373 1 23 GLY H 1 72 PHE QD 3.200 . 4.500 4.043 3.157 4.548 0.048 4 0 "[ . 1 .]" 1
374 1 23 GLY H 1 73 SER HA 4.000 . 4.500 3.372 3.047 3.898 . 0 0 "[ . 1 .]" 1
375 1 23 GLY H 1 74 ALA H 4.000 . 6.000 5.033 4.514 5.542 . 0 0 "[ . 1 .]" 1
376 1 23 GLY QA 1 24 LYS H . . 2.700 2.196 2.118 2.343 . 0 0 "[ . 1 .]" 1
377 1 23 GLY QA 1 24 LYS QG 3.500 . 4.800 3.971 3.030 4.497 . 0 0 "[ . 1 .]" 1
378 1 23 GLY QA 1 72 PHE H 3.200 . 4.500 4.318 4.041 4.634 0.134 3 0 "[ . 1 .]" 1
379 1 23 GLY QA 1 72 PHE QE 3.500 . 4.800 4.096 2.969 5.163 0.363 8 0 "[ . 1 .]" 1
380 1 24 LYS H 1 24 LYS QB . . 2.700 3.233 2.887 3.347 0.647 8 12 "[ ***-**+**** *.]" 1
381 1 24 LYS H 1 24 LYS QG 3.500 . 3.500 2.875 2.337 3.230 . 0 0 "[ . 1 .]" 1
382 1 24 LYS H 1 25 ILE H 3.200 . 4.500 4.363 4.323 4.386 . 0 0 "[ . 1 .]" 1
383 1 24 LYS H 1 25 ILE HB 3.700 . 6.000 6.270 6.128 6.397 0.397 10 0 "[ . 1 .]" 1
384 1 24 LYS HA 1 24 LYS QG 4.000 . 6.000 3.396 3.181 3.487 . 0 0 "[ . 1 .]" 1
385 1 24 LYS HA 1 25 ILE H 2.700 . 2.700 2.465 2.373 2.544 . 0 0 "[ . 1 .]" 1
386 1 24 LYS HA 1 71 THR HA 4.000 . 6.000 2.168 1.971 2.394 0.029 9 0 "[ . 1 .]" 1
387 1 24 LYS HA 1 71 THR MG 3.500 . 4.800 3.501 3.212 3.799 . 0 0 "[ . 1 .]" 1
388 1 24 LYS HA 1 72 PHE H . . 3.500 2.945 2.344 3.348 . 0 0 "[ . 1 .]" 1
389 1 24 LYS QB 1 25 ILE H . . 3.500 2.325 1.955 2.879 0.045 2 0 "[ . 1 .]" 1
390 1 24 LYS QB 1 71 THR H 4.000 . 6.000 4.336 4.168 4.513 . 0 0 "[ . 1 .]" 1
391 1 24 LYS QB 1 72 PHE H 3.200 . 4.500 3.384 3.252 3.532 . 0 0 "[ . 1 .]" 1
392 1 24 LYS QB 1 72 PHE HA 4.000 . 6.000 5.749 5.661 5.820 . 0 0 "[ . 1 .]" 1
393 1 24 LYS QG 1 25 ILE H 2.700 . 3.500 3.347 2.310 3.627 0.127 1 0 "[ . 1 .]" 1
394 1 25 ILE H 1 25 ILE HB 3.500 . 3.500 2.811 2.664 2.976 . 0 0 "[ . 1 .]" 1
395 1 25 ILE H 1 25 ILE MD 4.000 . 4.500 4.067 3.949 4.160 . 0 0 "[ . 1 .]" 1
396 1 25 ILE H 1 25 ILE QG 3.500 . 3.500 2.681 2.517 2.946 . 0 0 "[ . 1 .]" 1
397 1 25 ILE H 1 25 ILE MG 3.500 . 4.500 3.929 3.883 3.988 . 0 0 "[ . 1 .]" 1
398 1 25 ILE H 1 26 TYR H 3.700 . 4.500 4.435 4.393 4.458 . 0 0 "[ . 1 .]" 1
399 1 25 ILE H 1 69 TYR HA 3.700 . 6.000 4.904 4.351 5.117 . 0 0 "[ . 1 .]" 1
400 1 25 ILE H 1 69 TYR QD 4.000 . 6.000 4.810 4.329 5.383 . 0 0 "[ . 1 .]" 1
401 1 25 ILE H 1 70 TRP QB 3.200 . 4.500 2.653 2.348 3.320 . 0 0 "[ . 1 .]" 1
402 1 25 ILE H 1 71 THR HA 4.000 . 4.500 3.370 2.987 3.728 . 0 0 "[ . 1 .]" 1
403 1 25 ILE H 1 71 THR MG 4.000 . 6.000 3.855 3.682 4.307 . 0 0 "[ . 1 .]" 1
404 1 25 ILE HA 1 25 ILE MD 3.500 . 4.800 3.875 3.846 3.915 . 0 0 "[ . 1 .]" 1
405 1 25 ILE HA 1 25 ILE QG 3.500 . 4.800 2.515 2.429 2.600 . 0 0 "[ . 1 .]" 1
406 1 25 ILE HA 1 25 ILE MG 4.000 . 6.000 2.335 2.275 2.493 . 0 0 "[ . 1 .]" 1
407 1 25 ILE HA 1 26 TYR H 2.200 . 2.700 2.345 2.287 2.409 . 0 0 "[ . 1 .]" 1
408 1 25 ILE HB 1 25 ILE MD 2.700 . 3.700 2.425 2.366 2.468 . 0 0 "[ . 1 .]" 1
409 1 25 ILE HB 1 26 TYR H 4.000 . 4.500 3.558 3.413 3.760 . 0 0 "[ . 1 .]" 1
410 1 25 ILE HB 1 26 TYR HA 3.500 . 4.800 4.666 4.493 4.826 0.026 2 0 "[ . 1 .]" 1
411 1 25 ILE HB 1 70 TRP H 3.500 . 3.500 3.747 3.453 3.841 0.341 15 0 "[ . 1 .]" 1
412 1 25 ILE MD 1 25 ILE MG 2.700 . 3.700 1.932 1.855 2.079 . 0 0 "[ . 1 .]" 1
413 1 25 ILE MD 1 72 PHE QD 4.000 . 6.000 3.473 2.196 3.930 . 0 0 "[ . 1 .]" 1
414 1 25 ILE QG 1 26 TYR H 2.500 . 3.500 4.080 3.898 4.157 0.657 9 13 "[* *** **+*****-]" 1
415 1 25 ILE MG 1 26 TYR H 3.500 . 3.500 1.879 1.753 2.083 0.047 8 0 "[ . 1 .]" 1
416 1 25 ILE MG 1 26 TYR HA 4.000 . 6.000 3.783 3.566 3.863 . 0 0 "[ . 1 .]" 1
417 1 25 ILE MG 1 27 VAL H 3.200 . 4.500 3.997 3.732 4.153 . 0 0 "[ . 1 .]" 1
418 1 25 ILE MG 1 27 VAL QG 3.500 . 4.800 2.036 1.751 3.326 0.049 1 0 "[ . 1 .]" 1
419 1 25 ILE MG 1 70 TRP H 4.000 . 6.000 4.626 4.432 4.771 . 0 0 "[ . 1 .]" 1
420 1 26 TYR H 1 26 TYR QB . . 2.700 2.481 2.410 2.505 . 0 0 "[ . 1 .]" 1
421 1 26 TYR H 1 26 TYR QD . . 3.500 4.308 4.268 4.340 0.840 15 15 [****-*********+] 1
422 1 26 TYR H 1 27 VAL QG 3.700 . 6.000 3.220 2.778 4.639 . 0 0 "[ . 1 .]" 1
423 1 26 TYR HA 1 26 TYR QD 3.500 . 4.800 3.150 3.091 3.185 . 0 0 "[ . 1 .]" 1
424 1 26 TYR HA 1 26 TYR QE 4.000 . 6.000 4.722 4.658 4.774 . 0 0 "[ . 1 .]" 1
425 1 26 TYR HA 1 27 VAL H 3.500 . 3.500 2.294 2.258 2.336 . 0 0 "[ . 1 .]" 1
426 1 26 TYR HA 1 27 VAL QG 4.000 . 6.000 3.407 3.296 3.740 . 0 0 "[ . 1 .]" 1
427 1 26 TYR HA 1 62 ILE MD 4.000 . 6.000 3.204 2.528 3.513 . 0 0 "[ . 1 .]" 1
428 1 26 TYR HA 1 69 TYR HA 4.000 . 6.000 3.215 3.000 3.486 . 0 0 "[ . 1 .]" 1
429 1 26 TYR HA 1 69 TYR QD 3.500 . 4.800 3.092 2.610 3.486 . 0 0 "[ . 1 .]" 1
430 1 26 TYR HA 1 70 TRP H 4.000 . 4.500 3.665 3.435 4.279 . 0 0 "[ . 1 .]" 1
431 1 26 TYR QB 1 27 VAL H 3.500 . 3.500 3.986 3.909 4.028 0.528 9 5 "[* . *+- *.]" 1
432 1 26 TYR QD 1 27 VAL H 2.700 . 3.700 3.585 3.055 3.712 0.012 2 0 "[ . 1 .]" 1
433 1 26 TYR QD 1 62 ILE MD 3.500 . 4.800 3.135 2.704 3.379 . 0 0 "[ . 1 .]" 1
434 1 26 TYR QE 1 62 ILE MD 3.500 . 4.800 2.724 2.555 2.964 . 0 0 "[ . 1 .]" 1
435 1 27 VAL H 1 27 VAL HB 3.500 . 3.500 3.823 3.063 3.965 0.465 13 0 "[ . 1 .]" 1
436 1 27 VAL H 1 27 VAL QG 3.500 . 3.500 2.269 2.144 2.367 . 0 0 "[ . 1 .]" 1
437 1 27 VAL H 1 28 LYS H 4.000 . 4.500 4.424 4.320 4.494 . 0 0 "[ . 1 .]" 1
438 1 27 VAL H 1 67 TYR HB2 3.700 . 6.000 5.483 4.936 6.007 0.007 10 0 "[ . 1 .]" 1
439 1 27 VAL H 1 67 TYR HB3 3.200 . 4.500 3.920 3.434 4.328 . 0 0 "[ . 1 .]" 1
440 1 27 VAL H 1 67 TYR QD 3.200 . 4.500 3.800 2.799 5.730 1.230 8 4 "[ *- + 1* .]" 1
441 1 27 VAL H 1 68 GLU QB 3.200 . 4.500 3.930 3.593 4.249 . 0 0 "[ . 1 .]" 1
442 1 27 VAL H 1 69 TYR HA 3.700 . 6.000 3.833 3.484 4.083 . 0 0 "[ . 1 .]" 1
443 1 27 VAL H 1 70 TRP HD1 4.000 . 6.000 2.851 2.291 4.593 . 0 0 "[ . 1 .]" 1
444 1 27 VAL HA 1 28 LYS H 2.700 . 3.500 2.238 2.180 2.313 . 0 0 "[ . 1 .]" 1
445 1 27 VAL HA 1 68 GLU H 3.700 . 6.000 4.791 4.504 5.404 . 0 0 "[ . 1 .]" 1
446 1 27 VAL HB 1 28 LYS H 3.500 . 4.800 3.139 2.743 4.081 . 0 0 "[ . 1 .]" 1
447 1 27 VAL HB 1 68 GLU H 2.500 . 3.500 5.745 5.264 6.012 2.512 3 15 [**+**-*********] 1
448 1 27 VAL HB 1 69 TYR H 3.700 . 6.000 8.005 6.997 8.481 2.481 4 15 [***+*-*********] 1
449 1 27 VAL HB 1 70 TRP HE1 3.200 . 4.500 4.427 4.059 5.359 0.859 6 1 "[ .+ 1 .]" 1
450 1 27 VAL MG1 1 27 VAL MG2 2.700 . 3.700 2.054 1.982 2.086 . 0 0 "[ . 1 .]" 1
451 1 27 VAL QG 1 28 LYS H . . 3.500 2.617 2.134 3.026 . 0 0 "[ . 1 .]" 1
452 1 27 VAL QG 1 30 ILE H 3.700 . 6.000 4.521 4.225 4.821 . 0 0 "[ . 1 .]" 1
453 1 27 VAL QG 1 36 VAL MG2 4.000 . 6.000 2.364 1.969 2.625 0.031 6 0 "[ . 1 .]" 1
454 1 27 VAL QG 1 68 GLU H 3.200 . 4.500 3.419 2.847 3.924 . 0 0 "[ . 1 .]" 1
455 1 27 VAL QG 1 69 TYR H 3.700 . 6.000 4.696 4.172 5.078 . 0 0 "[ . 1 .]" 1
456 1 27 VAL QG 1 70 TRP H 4.000 . 4.500 4.132 3.564 4.353 . 0 0 "[ . 1 .]" 1
457 1 27 VAL QG 1 70 TRP QB 4.000 . 4.800 3.367 3.098 3.624 . 0 0 "[ . 1 .]" 1
458 1 27 VAL QG 1 70 TRP HD1 3.500 . 4.800 2.469 2.269 2.761 . 0 0 "[ . 1 .]" 1
459 1 27 VAL QG 1 70 TRP HE1 3.200 . 4.500 1.924 1.717 2.703 0.283 11 0 "[ . 1 .]" 1
460 1 27 VAL QG 1 70 TRP HH2 4.000 . 6.000 3.870 3.501 4.521 . 0 0 "[ . 1 .]" 1
461 1 27 VAL QG 1 86 TYR QD 3.500 . 4.800 3.056 2.898 3.689 . 0 0 "[ . 1 .]" 1
462 1 27 VAL QG 1 86 TYR QE 3.500 . 4.800 2.460 2.179 3.013 . 0 0 "[ . 1 .]" 1
463 1 28 LYS H 1 28 LYS QB 3.500 . 3.500 2.382 2.162 2.740 . 0 0 "[ . 1 .]" 1
464 1 28 LYS H 1 28 LYS QG 4.000 . 4.500 3.242 2.037 3.998 . 0 0 "[ . 1 .]" 1
465 1 28 LYS H 1 29 ASN H 4.000 . 4.500 4.554 4.484 4.616 0.116 15 0 "[ . 1 .]" 1
466 1 28 LYS H 1 67 TYR QD 4.000 . 4.500 4.043 3.406 4.991 0.491 11 0 "[ . 1 .]" 1
467 1 28 LYS H 1 67 TYR QE 4.000 . 4.500 3.946 3.046 5.960 1.460 8 4 "[ ** + 1- .]" 1
468 1 28 LYS H 1 86 TYR QE 3.200 . 4.500 4.868 4.440 5.359 0.859 3 3 "[ + . - * .]" 1
469 1 28 LYS HA 1 28 LYS QG 4.000 . 6.000 2.856 2.386 3.485 . 0 0 "[ . 1 .]" 1
470 1 28 LYS HA 1 29 ASN H . . 2.700 2.242 2.149 2.334 . 0 0 "[ . 1 .]" 1
471 1 28 LYS HA 1 30 ILE H 3.200 . 4.500 5.595 4.992 6.042 1.542 3 14 "[**+*** ***-****]" 1
472 1 28 LYS HA 1 67 TYR H 3.700 . 6.000 5.025 4.633 5.736 . 0 0 "[ . 1 .]" 1
473 1 28 LYS HA 1 67 TYR HA 3.500 . 4.800 2.330 1.893 3.801 . 0 0 "[ . 1 .]" 1
474 1 28 LYS HA 1 68 GLU H 3.500 . 3.500 3.200 2.177 3.916 0.416 11 0 "[ . 1 .]" 1
475 1 28 LYS QB 1 28 LYS QG 4.000 . 6.000 2.066 2.002 2.088 . 0 0 "[ . 1 .]" 1
476 1 28 LYS QB 1 29 ASN H . . 3.500 3.253 2.578 3.766 0.266 12 0 "[ . 1 .]" 1
477 1 28 LYS QG 1 29 ASN H 3.200 . 4.500 3.073 2.159 4.192 . 0 0 "[ . 1 .]" 1
478 1 28 LYS QG 1 30 ILE H 3.200 . 4.500 4.212 3.249 5.774 1.274 11 2 "[ -. 1+ .]" 1
479 1 28 LYS QZ 1 67 TYR QE 3.500 . 4.800 3.167 2.018 3.971 . 0 0 "[ . 1 .]" 1
480 1 29 ASN H 1 29 ASN HA 2.700 . 3.500 2.907 2.856 2.939 . 0 0 "[ . 1 .]" 1
481 1 29 ASN H 1 29 ASN QB 3.500 . 3.500 2.603 2.296 3.037 . 0 0 "[ . 1 .]" 1
482 1 29 ASN H 1 29 ASN QD 3.200 . 4.500 3.659 2.160 4.627 0.127 15 0 "[ . 1 .]" 1
483 1 29 ASN H 1 30 ILE H 4.000 . 4.500 4.257 3.886 4.514 0.014 3 0 "[ . 1 .]" 1
484 1 29 ASN H 1 30 ILE QG 3.700 . 6.000 5.313 4.460 5.747 . 0 0 "[ . 1 .]" 1
485 1 29 ASN H 1 66 ASN QB 3.200 . 4.500 4.910 3.718 6.351 1.851 5 5 "[- * + *1* .]" 1
486 1 29 ASN H 1 67 TYR HA . . 3.500 3.016 2.296 3.811 0.311 3 0 "[ . 1 .]" 1
487 1 29 ASN H 1 67 TYR HB3 3.700 . 6.000 5.178 4.185 6.138 0.138 3 0 "[ . 1 .]" 1
488 1 29 ASN H 1 67 TYR QD 4.000 . 4.500 4.196 2.062 5.597 1.097 3 3 "[ -+ . *1 .]" 1
489 1 29 ASN HA 1 30 ILE H 2.700 . 3.500 2.173 2.106 2.301 . 0 0 "[ . 1 .]" 1
490 1 29 ASN HA 1 31 ALA H 4.000 . 4.500 3.913 3.389 4.278 . 0 0 "[ . 1 .]" 1
491 1 29 ASN QB 1 29 ASN QD . . 2.700 2.117 2.033 2.191 . 0 0 "[ . 1 .]" 1
492 1 29 ASN QB 1 30 ILE H 4.000 . 4.500 3.555 3.194 3.832 . 0 0 "[ . 1 .]" 1
493 1 29 ASN QB 1 32 TYR QD 3.500 . 4.800 3.967 3.008 4.894 0.094 1 0 "[ . 1 .]" 1
494 1 30 ILE H 1 30 ILE HB 2.500 . 3.500 2.615 2.423 2.919 . 0 0 "[ . 1 .]" 1
495 1 30 ILE H 1 30 ILE MD 3.500 . 4.500 2.763 1.795 3.491 0.005 5 0 "[ . 1 .]" 1
496 1 30 ILE H 1 30 ILE QG 2.700 . 3.500 2.368 1.780 3.271 0.020 11 0 "[ . 1 .]" 1
497 1 30 ILE H 1 30 ILE MG 4.000 . 4.500 3.777 3.724 3.846 . 0 0 "[ . 1 .]" 1
498 1 30 ILE H 1 31 ALA H 3.500 . 3.500 2.487 2.186 2.762 . 0 0 "[ . 1 .]" 1
499 1 30 ILE H 1 32 TYR QB 3.200 . 4.500 6.942 6.473 7.142 2.642 14 15 [*-***********+*] 1
500 1 30 ILE H 1 88 VAL QG 4.000 . 6.000 3.641 3.339 4.189 . 0 0 "[ . 1 .]" 1
501 1 30 ILE HA 1 30 ILE MD 3.500 . 4.800 2.562 1.974 3.775 . 0 0 "[ . 1 .]" 1
502 1 30 ILE HA 1 30 ILE QG 3.500 . 4.800 2.859 2.285 3.229 . 0 0 "[ . 1 .]" 1
503 1 30 ILE HA 1 30 ILE MG 3.500 . 4.800 2.356 2.234 2.528 . 0 0 "[ . 1 .]" 1
504 1 30 ILE HA 1 31 ALA H 3.500 . 3.500 3.517 3.466 3.561 0.061 2 0 "[ . 1 .]" 1
505 1 30 ILE HB 1 30 ILE MD 3.500 . 4.800 2.932 2.202 3.247 . 0 0 "[ . 1 .]" 1
506 1 30 ILE HB 1 31 ALA H 3.500 . 3.500 2.228 1.977 2.723 . 0 0 "[ . 1 .]" 1
507 1 30 ILE HB 1 88 VAL QG 3.500 . 4.800 2.457 1.987 3.211 0.013 10 0 "[ . 1 .]" 1
508 1 30 ILE MD 1 30 ILE QG 3.500 . 4.800 1.881 1.871 1.886 0.129 14 0 "[ . 1 .]" 1
509 1 30 ILE MD 1 31 ALA H 3.700 . 6.000 4.193 3.651 4.458 . 0 0 "[ . 1 .]" 1
510 1 30 ILE MD 1 86 TYR QE 4.000 . 6.000 2.234 1.585 2.647 0.415 5 0 "[ . 1 .]" 1
511 1 30 ILE MD 1 88 VAL QG 4.000 . 6.000 3.396 2.108 3.896 . 0 0 "[ . 1 .]" 1
512 1 30 ILE MD 1 93 TYR QD 4.000 . 6.000 4.301 3.643 4.752 . 0 0 "[ . 1 .]" 1
513 1 30 ILE MD 1 93 TYR QE 3.500 . 4.800 3.172 2.390 3.663 . 0 0 "[ . 1 .]" 1
514 1 30 ILE QG 1 30 ILE MG 4.000 . 6.000 2.212 2.078 2.333 . 0 0 "[ . 1 .]" 1
515 1 30 ILE QG 1 31 ALA H . . 3.500 3.737 3.198 4.418 0.918 8 4 "[ * *+ 1 -]" 1
516 1 30 ILE MG 1 31 ALA H 3.500 . 4.500 3.292 2.916 3.511 . 0 0 "[ . 1 .]" 1
517 1 30 ILE MG 1 93 TYR QE 4.000 . 6.000 3.878 3.036 4.478 . 0 0 "[ . 1 .]" 1
518 1 31 ALA H 1 31 ALA HA 2.700 . 2.700 2.915 2.897 2.930 0.230 10 0 "[ . 1 .]" 1
519 1 31 ALA H 1 31 ALA MB 3.500 . 3.500 2.441 2.338 2.636 . 0 0 "[ . 1 .]" 1
520 1 31 ALA H 1 32 TYR H 4.000 . 6.000 3.936 2.825 4.356 . 0 0 "[ . 1 .]" 1
521 1 31 ALA H 1 32 TYR QB 3.200 . 4.500 5.458 5.022 5.766 1.266 15 15 [*********-****+] 1
522 1 31 ALA H 1 88 VAL QG . . 3.500 2.909 2.423 3.431 . 0 0 "[ . 1 .]" 1
523 1 31 ALA HA 1 32 TYR H 2.500 . 3.500 2.929 2.356 3.528 0.028 10 0 "[ . 1 .]" 1
524 1 31 ALA MB 1 32 TYR H . . 2.700 1.993 1.753 2.753 0.053 9 0 "[ . 1 .]" 1
525 1 31 ALA MB 1 33 SER H 2.500 . 3.500 3.301 2.715 4.146 0.646 15 1 "[ . 1 +]" 1
526 1 31 ALA MB 1 89 SER H 4.000 . 6.000 3.872 2.857 4.553 . 0 0 "[ . 1 .]" 1
527 1 31 ALA MB 1 89 SER HB2 4.000 . 6.000 4.374 2.945 5.534 . 0 0 "[ . 1 .]" 1
528 1 32 TYR H 1 32 TYR HA 2.700 . 2.700 2.898 2.779 2.946 0.246 8 0 "[ . 1 .]" 1
529 1 32 TYR H 1 32 TYR QB . . 2.700 2.470 2.133 2.888 0.188 2 0 "[ . 1 .]" 1
530 1 32 TYR H 1 32 TYR QD 3.500 . 4.800 4.236 3.220 4.493 . 0 0 "[ . 1 .]" 1
531 1 32 TYR H 1 88 VAL QG 3.700 . 6.000 4.529 3.865 6.171 0.171 9 0 "[ . 1 .]" 1
532 1 32 TYR HA 1 32 TYR QB 3.500 . 4.800 2.393 2.346 2.482 . 0 0 "[ . 1 .]" 1
533 1 32 TYR HA 1 32 TYR QD 3.500 . 4.800 2.157 1.908 2.396 . 0 0 "[ . 1 .]" 1
534 1 32 TYR HA 1 32 TYR QE 3.500 . 4.800 4.312 4.141 4.435 . 0 0 "[ . 1 .]" 1
535 1 32 TYR HA 1 33 SER H 2.500 . 3.500 3.544 3.406 3.576 0.076 11 0 "[ . 1 .]" 1
536 1 32 TYR QB 1 32 TYR QE 4.000 . 6.000 3.954 3.942 3.964 . 0 0 "[ . 1 .]" 1
537 1 32 TYR QB 1 33 SER H 2.500 . 3.500 2.375 1.929 3.107 . 0 0 "[ . 1 .]" 1
538 1 32 TYR QD 1 33 SER H 3.200 . 4.500 3.916 3.254 4.683 0.183 8 0 "[ . 1 .]" 1
539 1 32 TYR QD 1 33 SER HA 4.000 . 6.000 4.582 3.951 5.618 . 0 0 "[ . 1 .]" 1
540 1 33 SER H 1 33 SER HA . . 2.700 2.862 2.598 2.927 0.227 3 0 "[ . 1 .]" 1
541 1 33 SER H 1 33 SER HB2 3.500 . 3.500 2.650 2.466 3.533 0.033 5 0 "[ . 1 .]" 1
542 1 33 SER H 1 33 SER HB3 . . 3.500 3.308 2.537 3.688 0.188 8 0 "[ . 1 .]" 1
543 1 33 SER H 1 88 VAL QG 3.700 . 6.000 4.960 3.582 6.036 0.036 10 0 "[ . 1 .]" 1
544 1 33 SER HA 1 34 LYS H 2.000 . 2.700 2.303 2.155 2.512 . 0 0 "[ . 1 .]" 1
545 1 33 SER HA 1 35 LYS H 3.700 . 6.000 6.197 5.370 6.379 0.379 4 0 "[ . 1 .]" 1
546 1 33 SER HB2 1 34 LYS H 3.200 . 4.500 4.408 3.919 4.644 0.144 3 0 "[ . 1 .]" 1
547 1 33 SER HB3 1 34 LYS H 3.700 . 6.000 4.161 3.323 4.440 . 0 0 "[ . 1 .]" 1
548 1 34 LYS H 1 34 LYS HA 2.700 . 3.500 2.927 2.883 2.942 . 0 0 "[ . 1 .]" 1
549 1 34 LYS H 1 34 LYS HB2 2.200 . 2.700 2.542 2.391 2.714 0.014 12 0 "[ . 1 .]" 1
550 1 34 LYS H 1 34 LYS HB3 2.700 . 3.500 3.654 3.591 3.740 0.240 2 0 "[ . 1 .]" 1
551 1 34 LYS H 1 34 LYS HD2 4.000 . 4.500 4.447 2.648 5.034 0.534 11 1 "[ . 1+ .]" 1
552 1 34 LYS H 1 34 LYS HD3 3.500 . 4.800 4.513 3.570 5.080 0.280 2 0 "[ . 1 .]" 1
553 1 34 LYS H 1 34 LYS QG 2.700 . 3.500 2.418 2.234 2.571 . 0 0 "[ . 1 .]" 1
554 1 34 LYS H 1 70 TRP HH2 3.700 . 6.000 4.060 3.295 4.743 . 0 0 "[ . 1 .]" 1
555 1 34 LYS H 1 70 TRP HZ3 3.200 . 4.500 5.642 5.497 5.751 1.251 8 15 [*******+*-*****] 1
556 1 34 LYS H 1 86 TYR QE 3.200 . 4.500 6.115 4.862 7.939 3.439 15 14 [**-******1****+] 1
557 1 34 LYS H 1 88 VAL QG 3.700 . 6.000 4.911 4.132 5.508 . 0 0 "[ . 1 .]" 1
558 1 34 LYS HA 1 34 LYS HD2 3.500 . 4.800 4.141 2.438 4.660 . 0 0 "[ . 1 .]" 1
559 1 34 LYS HA 1 34 LYS HD3 4.000 . 6.000 4.097 2.052 4.948 . 0 0 "[ . 1 .]" 1
560 1 34 LYS HA 1 34 LYS QG 2.700 . 3.700 2.709 2.386 3.168 . 0 0 "[ . 1 .]" 1
561 1 34 LYS HA 1 35 LYS H 2.500 . 3.500 2.374 1.810 2.698 . 0 0 "[ . 1 .]" 1
562 1 34 LYS HA 1 88 VAL HB 4.000 . 6.000 5.534 2.487 6.224 0.224 15 0 "[ . 1 .]" 1
563 1 34 LYS HA 1 88 VAL QG 4.000 . 6.000 3.272 2.448 3.699 . 0 0 "[ . 1 .]" 1
564 1 34 LYS HB3 1 35 LYS H 2.500 . 3.500 2.584 1.948 3.495 . 0 0 "[ . 1 .]" 1
565 1 34 LYS HD2 1 70 TRP HH2 4.000 . 6.000 4.155 1.932 6.872 0.872 3 1 "[ + . 1 .]" 1
566 1 34 LYS QG 1 35 LYS H 2.500 . 3.500 4.114 3.849 4.386 0.886 3 12 "[**+ ** *-*****.]" 1
567 1 34 LYS QG 1 70 TRP HH2 4.000 . 6.000 3.782 2.661 4.753 . 0 0 "[ . 1 .]" 1
568 1 34 LYS QG 1 89 SER H 3.200 . 4.500 4.839 3.879 6.510 2.010 15 5 "[ . *1** -+]" 1
569 1 35 LYS H 1 35 LYS HA . . 2.700 2.902 2.601 2.956 0.256 2 0 "[ . 1 .]" 1
570 1 35 LYS H 1 35 LYS QB 3.500 . 3.500 2.858 2.103 3.307 . 0 0 "[ . 1 .]" 1
571 1 35 LYS H 1 35 LYS QD 4.000 . 6.000 4.284 2.280 4.628 . 0 0 "[ . 1 .]" 1
572 1 35 LYS H 1 35 LYS QG . . 2.700 2.642 1.665 3.085 0.385 12 0 "[ . 1 .]" 1
573 1 35 LYS H 1 36 VAL H 3.200 . 4.500 4.163 3.767 4.416 . 0 0 "[ . 1 .]" 1
574 1 35 LYS H 1 36 VAL MG2 4.000 . 4.500 3.888 3.379 4.823 0.323 15 0 "[ . 1 .]" 1
575 1 35 LYS H 1 86 TYR QD 3.500 . 3.500 4.668 4.549 4.763 1.263 3 15 [**+****-*******] 1
576 1 35 LYS H 1 86 TYR QE 3.500 . 3.500 4.454 4.280 4.531 1.031 11 15 [*****-****+****] 1
577 1 35 LYS H 1 87 GLU H 3.500 . 3.500 3.680 3.414 3.931 0.431 15 0 "[ . 1 .]" 1
578 1 35 LYS H 1 87 GLU HA 3.700 . 6.000 5.072 4.843 5.524 . 0 0 "[ . 1 .]" 1
579 1 35 LYS H 1 87 GLU QB 3.700 . 6.000 3.641 3.120 4.588 . 0 0 "[ . 1 .]" 1
580 1 35 LYS H 1 87 GLU QG 3.200 . 4.500 4.872 4.377 5.489 0.989 15 4 "[ * * 1- +]" 1
581 1 35 LYS H 1 88 VAL QG 3.200 . 4.500 3.782 2.925 4.237 . 0 0 "[ . 1 .]" 1
582 1 35 LYS HA 1 36 VAL H 2.700 . 2.700 2.202 2.062 2.829 0.129 15 0 "[ . 1 .]" 1
583 1 35 LYS HA 1 87 GLU H 3.700 . 6.000 5.016 2.048 5.519 . 0 0 "[ . 1 .]" 1
584 1 35 LYS QB 1 35 LYS QG 2.200 . 2.700 2.078 2.053 2.088 . 0 0 "[ . 1 .]" 1
585 1 35 LYS QB 1 36 VAL H . . 3.500 3.222 2.716 3.971 0.471 15 0 "[ . 1 .]" 1
586 1 35 LYS QG 1 36 VAL H . . 3.500 4.149 3.859 4.330 0.830 5 12 "[****+* ****-*.]" 1
587 1 35 LYS QG 1 87 GLU QB 4.000 . 6.000 2.750 1.450 4.924 0.550 9 1 "[ . +1 .]" 1
588 1 36 VAL H 1 36 VAL HB . . 2.700 2.624 2.394 2.867 0.167 15 0 "[ . 1 .]" 1
589 1 36 VAL H 1 36 VAL MG1 4.000 . 4.500 3.793 3.704 3.858 . 0 0 "[ . 1 .]" 1
590 1 36 VAL H 1 36 VAL MG2 3.500 . 3.500 2.885 2.599 3.231 . 0 0 "[ . 1 .]" 1
591 1 36 VAL H 1 37 THR H 4.000 . 6.000 4.214 3.977 4.426 . 0 0 "[ . 1 .]" 1
592 1 36 VAL H 1 37 THR MG 3.700 . 6.000 3.748 3.415 4.096 . 0 0 "[ . 1 .]" 1
593 1 36 VAL H 1 55 ALA MB 2.500 . 3.500 4.662 4.551 4.745 1.245 15 15 [-*************+] 1
594 1 36 VAL H 1 56 ALA MB 2.500 . 3.500 4.030 3.509 4.327 0.827 15 11 "[** -. * ******+]" 1
595 1 36 VAL H 1 70 TRP HD1 3.700 . 6.000 8.892 8.263 9.601 3.601 14 15 [*****-*******+*] 1
596 1 36 VAL H 1 70 TRP HZ3 2.500 . 3.500 3.253 1.871 4.056 0.556 14 1 "[ . 1 +.]" 1
597 1 36 VAL HA 1 36 VAL MG1 3.500 . 4.800 2.457 2.343 2.588 . 0 0 "[ . 1 .]" 1
598 1 36 VAL HA 1 36 VAL MG2 3.500 . 4.800 2.285 2.188 2.373 . 0 0 "[ . 1 .]" 1
599 1 36 VAL HA 1 37 THR H 2.700 . 2.700 2.062 2.011 2.107 . 0 0 "[ . 1 .]" 1
600 1 36 VAL HA 1 37 THR MG 3.500 . 4.800 3.888 3.483 4.228 . 0 0 "[ . 1 .]" 1
601 1 36 VAL HA 1 86 TYR HA 4.000 . 6.000 3.252 2.903 3.563 . 0 0 "[ . 1 .]" 1
602 1 36 VAL HA 1 87 GLU H 3.200 . 4.500 3.211 2.783 3.550 . 0 0 "[ . 1 .]" 1
603 1 36 VAL HB 1 37 THR H 4.000 . 4.500 4.282 4.151 4.379 . 0 0 "[ . 1 .]" 1
604 1 36 VAL HB 1 56 ALA H 2.500 . 3.500 3.686 3.185 4.041 0.541 11 1 "[ . 1+ .]" 1
605 1 36 VAL HB 1 57 SER H 3.700 . 6.000 5.483 5.129 5.830 . 0 0 "[ . 1 .]" 1
606 1 36 VAL HB 1 70 TRP HE1 3.700 . 6.000 6.597 6.166 7.418 1.418 14 10 "[*-* ** **1* *+.]" 1
607 1 36 VAL MG1 1 36 VAL MG2 2.700 . 3.700 2.031 1.994 2.065 . 0 0 "[ . 1 .]" 1
608 1 36 VAL MG1 1 37 THR H 3.500 . 3.500 2.752 2.411 2.969 . 0 0 "[ . 1 .]" 1
609 1 36 VAL MG1 1 56 ALA H 4.000 . 4.500 3.293 2.336 3.811 . 0 0 "[ . 1 .]" 1
610 1 36 VAL MG1 1 56 ALA MB 4.000 . 6.000 2.085 1.833 2.339 0.167 15 0 "[ . 1 .]" 1
611 1 36 VAL MG1 1 70 TRP QB 4.000 . 6.000 3.450 3.022 3.791 . 0 0 "[ . 1 .]" 1
612 1 36 VAL MG1 1 70 TRP HZ3 3.500 . 4.800 4.287 4.128 4.405 . 0 0 "[ . 1 .]" 1
613 1 36 VAL MG1 1 84 ILE MG 3.500 . 4.800 2.265 1.888 2.594 . 0 0 "[ . 1 .]" 1
614 1 36 VAL MG1 1 85 LYS H 4.000 . 4.500 4.173 4.118 4.265 . 0 0 "[ . 1 .]" 1
615 1 36 VAL MG2 1 37 THR H 3.500 . 3.500 3.837 3.638 3.982 0.482 14 0 "[ . 1 .]" 1
616 1 36 VAL MG2 1 56 ALA H 3.700 . 6.000 5.049 4.581 5.343 . 0 0 "[ . 1 .]" 1
617 1 36 VAL MG2 1 56 ALA MB 4.000 . 6.000 3.451 2.975 3.604 . 0 0 "[ . 1 .]" 1
618 1 36 VAL MG2 1 70 TRP HH2 4.000 . 6.000 2.899 2.673 3.229 . 0 0 "[ . 1 .]" 1
619 1 36 VAL MG2 1 86 TYR H 3.700 . 6.000 5.527 5.192 5.849 . 0 0 "[ . 1 .]" 1
620 1 36 VAL MG2 1 86 TYR HA 4.000 . 6.000 3.156 2.662 3.565 . 0 0 "[ . 1 .]" 1
621 1 36 VAL MG2 1 86 TYR QD 3.500 . 4.800 2.485 2.042 3.434 . 0 0 "[ . 1 .]" 1
622 1 36 VAL MG2 1 86 TYR QE 4.000 . 6.000 3.308 2.772 4.374 . 0 0 "[ . 1 .]" 1
623 1 36 VAL MG2 1 87 GLU H 3.700 . 6.000 3.772 3.221 4.279 . 0 0 "[ . 1 .]" 1
624 1 37 THR H 1 37 THR HB 2.700 . 3.500 3.702 3.633 3.767 0.267 12 0 "[ . 1 .]" 1
625 1 37 THR H 1 37 THR MG 3.500 . 3.500 3.145 2.904 3.462 . 0 0 "[ . 1 .]" 1
626 1 37 THR H 1 38 VAL H 2.500 . 3.500 4.167 3.939 4.314 0.814 2 14 [*+*****-******.] 1
627 1 37 THR H 1 84 ILE MD 3.200 . 4.500 5.454 4.960 5.683 1.183 8 14 "[***** *+******-]" 1
628 1 37 THR H 1 84 ILE MG 4.000 . 4.500 3.272 2.743 3.622 . 0 0 "[ . 1 .]" 1
629 1 37 THR H 1 85 LYS H 2.500 . 3.500 3.408 3.040 3.657 0.157 1 0 "[ . 1 .]" 1
630 1 37 THR H 1 85 LYS QB 3.200 . 4.500 3.196 2.838 4.892 0.392 10 0 "[ . 1 .]" 1
631 1 37 THR H 1 85 LYS QG 3.700 . 6.000 4.690 3.118 5.211 . 0 0 "[ . 1 .]" 1
632 1 37 THR H 1 86 TYR HA 3.200 . 4.500 4.026 3.764 4.285 . 0 0 "[ . 1 .]" 1
633 1 37 THR HA 1 37 THR MG 3.500 . 4.800 2.226 2.206 2.262 . 0 0 "[ . 1 .]" 1
634 1 37 THR HA 1 38 VAL H 2.700 . 3.500 2.122 2.095 2.157 . 0 0 "[ . 1 .]" 1
635 1 37 THR HA 1 38 VAL MG2 4.000 . 6.000 3.978 3.701 4.206 . 0 0 "[ . 1 .]" 1
636 1 37 THR HA 1 53 ILE MG 4.000 . 6.000 5.257 4.924 5.498 . 0 0 "[ . 1 .]" 1
637 1 37 THR HA 1 54 ILE H 3.200 . 4.500 4.401 4.082 4.683 0.183 13 0 "[ . 1 .]" 1
638 1 37 THR HA 1 55 ALA H 3.700 . 6.000 4.904 4.689 5.286 . 0 0 "[ . 1 .]" 1
639 1 37 THR HA 1 56 ALA H 3.500 . 3.500 3.149 2.728 3.391 . 0 0 "[ . 1 .]" 1
640 1 37 THR HB 1 38 VAL H 2.700 . 3.500 3.515 3.126 3.743 0.243 15 0 "[ . 1 .]" 1
641 1 37 THR HB 1 39 VAL QG 4.000 . 6.000 3.390 2.729 3.851 . 0 0 "[ . 1 .]" 1
642 1 37 THR HB 1 53 ILE MG 3.500 . 4.800 4.013 3.692 4.286 . 0 0 "[ . 1 .]" 1
643 1 37 THR HB 1 54 ILE H 3.700 . 6.000 4.496 3.899 5.140 . 0 0 "[ . 1 .]" 1
644 1 37 THR MG 1 38 VAL H 3.500 . 3.500 3.833 3.441 4.045 0.545 12 3 "[* . -1 + .]" 1
645 1 37 THR MG 1 56 ALA H 3.500 . 4.800 3.917 3.326 4.438 . 0 0 "[ . 1 .]" 1
646 1 38 VAL H 1 38 VAL HB 3.500 . 3.500 2.467 2.315 2.561 . 0 0 "[ . 1 .]" 1
647 1 38 VAL H 1 38 VAL MG1 3.500 . 4.500 3.772 3.690 3.802 . 0 0 "[ . 1 .]" 1
648 1 38 VAL H 1 38 VAL MG2 3.500 . 3.500 2.576 2.202 2.922 . 0 0 "[ . 1 .]" 1
649 1 38 VAL H 1 39 VAL H 3.700 . 4.500 4.401 4.279 4.508 0.008 1 0 "[ . 1 .]" 1
650 1 38 VAL H 1 53 ILE MD 3.500 . 4.800 3.408 3.023 3.776 . 0 0 "[ . 1 .]" 1
651 1 38 VAL H 1 54 ILE H 2.500 . 3.500 3.001 2.453 3.353 . 0 0 "[ . 1 .]" 1
652 1 38 VAL H 1 54 ILE HB 4.000 . 4.500 4.987 3.020 5.646 1.146 10 11 "[* **. ***+ ***-]" 1
653 1 38 VAL H 1 54 ILE MG 4.000 . 4.500 3.050 2.460 4.244 . 0 0 "[ . 1 .]" 1
654 1 38 VAL H 1 55 ALA HA 3.200 . 4.500 3.341 2.887 3.643 . 0 0 "[ . 1 .]" 1
655 1 38 VAL H 1 56 ALA H 3.700 . 4.500 3.809 3.092 4.609 0.109 6 0 "[ . 1 .]" 1
656 1 38 VAL HA 1 38 VAL MG1 3.500 . 4.800 2.496 2.429 2.644 . 0 0 "[ . 1 .]" 1
657 1 38 VAL HA 1 38 VAL MG2 3.500 . 4.800 2.289 2.110 2.464 . 0 0 "[ . 1 .]" 1
658 1 38 VAL HA 1 39 VAL H 2.700 . 3.500 2.117 2.035 2.179 . 0 0 "[ . 1 .]" 1
659 1 38 VAL HA 1 39 VAL QG 4.000 . 6.000 3.412 3.161 4.270 . 0 0 "[ . 1 .]" 1
660 1 38 VAL HA 1 54 ILE H 3.700 . 6.000 4.446 4.308 4.611 . 0 0 "[ . 1 .]" 1
661 1 38 VAL HA 1 83 TYR H 3.700 . 6.000 5.248 4.948 5.459 . 0 0 "[ . 1 .]" 1
662 1 38 VAL HA 1 84 ILE HA 4.000 . 6.000 2.492 2.269 2.705 . 0 0 "[ . 1 .]" 1
663 1 38 VAL HA 1 84 ILE QG 3.500 . 4.800 4.175 3.341 4.463 . 0 0 "[ . 1 .]" 1
664 1 38 VAL HA 1 84 ILE MG 3.500 . 4.800 2.468 2.374 2.565 . 0 0 "[ . 1 .]" 1
665 1 38 VAL HA 1 85 LYS H 4.000 . 6.000 3.190 2.928 3.481 . 0 0 "[ . 1 .]" 1
666 1 38 VAL HB 1 39 VAL H 4.000 . 4.500 4.222 4.014 4.389 . 0 0 "[ . 1 .]" 1
667 1 38 VAL HB 1 54 ILE H 3.500 . 4.500 2.736 2.371 3.283 . 0 0 "[ . 1 .]" 1
668 1 38 VAL MG1 1 38 VAL MG2 2.700 . 3.700 2.012 1.943 2.054 . 0 0 "[ . 1 .]" 1
669 1 38 VAL MG1 1 39 VAL H 3.500 . 3.500 2.732 2.300 3.079 . 0 0 "[ . 1 .]" 1
670 1 38 VAL MG1 1 40 TYR HB3 4.000 . 6.000 2.812 1.880 3.346 0.120 2 0 "[ . 1 .]" 1
671 1 38 VAL MG1 1 40 TYR QD 3.500 . 4.800 2.743 1.546 3.268 0.254 2 0 "[ . 1 .]" 1
672 1 38 VAL MG1 1 54 ILE H 3.500 . 4.500 3.547 3.335 3.819 . 0 0 "[ . 1 .]" 1
673 1 38 VAL MG1 1 54 ILE HB 4.000 . 6.000 4.115 3.410 4.588 . 0 0 "[ . 1 .]" 1
674 1 38 VAL MG1 1 83 TYR H 4.000 . 4.500 4.156 3.845 4.647 0.147 3 0 "[ . 1 .]" 1
675 1 38 VAL MG1 1 84 ILE HA 4.000 . 6.000 3.726 3.517 3.898 . 0 0 "[ . 1 .]" 1
676 1 38 VAL MG1 1 84 ILE QG 4.000 . 6.000 3.880 3.371 4.135 . 0 0 "[ . 1 .]" 1
677 1 38 VAL MG2 1 39 VAL H 3.500 . 4.500 3.908 3.610 4.210 . 0 0 "[ . 1 .]" 1
678 1 38 VAL MG2 1 40 TYR QD 4.000 . 6.000 4.881 2.872 5.411 . 0 0 "[ . 1 .]" 1
679 1 38 VAL MG2 1 54 ILE H 3.700 . 6.000 4.199 3.891 4.616 . 0 0 "[ . 1 .]" 1
680 1 38 VAL MG2 1 54 ILE HB 4.000 . 6.000 4.690 2.722 5.232 . 0 0 "[ . 1 .]" 1
681 1 38 VAL MG2 1 54 ILE MG 4.000 . 6.000 2.480 2.020 3.510 . 0 0 "[ . 1 .]" 1
682 1 38 VAL MG2 1 56 ALA MB 4.000 . 6.000 2.974 2.516 3.929 . 0 0 "[ . 1 .]" 1
683 1 38 VAL MG2 1 72 PHE QD 4.000 . 6.000 3.888 3.169 4.455 . 0 0 "[ . 1 .]" 1
684 1 38 VAL MG2 1 72 PHE QE 4.000 . 6.000 2.953 2.335 3.834 . 0 0 "[ . 1 .]" 1
685 1 38 VAL MG2 1 84 ILE HA 4.000 . 6.000 3.592 3.031 4.022 . 0 0 "[ . 1 .]" 1
686 1 38 VAL MG2 1 84 ILE MD 3.500 . 4.800 1.677 1.497 2.253 0.303 2 0 "[ . 1 .]" 1
687 1 38 VAL MG2 1 84 ILE QG 3.500 . 4.800 3.256 2.158 3.373 . 0 0 "[ . 1 .]" 1
688 1 38 VAL MG2 1 84 ILE MG 4.000 . 6.000 2.337 2.205 2.758 . 0 0 "[ . 1 .]" 1
689 1 39 VAL H 1 39 VAL HB 4.000 . 4.500 3.523 2.384 3.874 . 0 0 "[ . 1 .]" 1
690 1 39 VAL H 1 39 VAL QG . . 3.500 2.100 1.891 3.010 0.109 6 0 "[ . 1 .]" 1
691 1 39 VAL H 1 40 TYR H 3.700 . 6.000 4.148 3.614 4.354 . 0 0 "[ . 1 .]" 1
692 1 39 VAL H 1 53 ILE QG 2.500 . 3.500 4.623 4.034 5.348 1.848 5 15 [****+*********-] 1
693 1 39 VAL H 1 82 PHE QD 3.700 . 6.000 4.293 3.036 5.637 . 0 0 "[ . 1 .]" 1
694 1 39 VAL H 1 83 TYR H 3.500 . 3.500 3.735 3.562 3.960 0.460 3 0 "[ . 1 .]" 1
695 1 39 VAL H 1 84 ILE HA . . 3.500 2.785 2.563 2.901 . 0 0 "[ . 1 .]" 1
696 1 39 VAL H 1 84 ILE QG 3.700 . 6.000 4.928 4.191 5.264 . 0 0 "[ . 1 .]" 1
697 1 39 VAL H 1 84 ILE MG 2.500 . 3.500 3.952 3.840 4.035 0.535 9 3 "[ . +1*- .]" 1
698 1 39 VAL H 1 85 LYS H 3.700 . 6.000 3.645 3.134 4.219 . 0 0 "[ . 1 .]" 1
699 1 39 VAL HA 1 39 VAL QG 3.500 . 4.800 2.162 2.088 2.286 . 0 0 "[ . 1 .]" 1
700 1 39 VAL HA 1 40 TYR H 2.700 . 3.500 2.156 2.080 2.387 . 0 0 "[ . 1 .]" 1
701 1 39 VAL HA 1 54 ILE H 3.200 . 4.500 3.803 3.497 4.106 . 0 0 "[ . 1 .]" 1
702 1 39 VAL HB 1 39 VAL QG 2.700 . 3.700 1.895 1.870 1.906 0.130 14 0 "[ . 1 .]" 1
703 1 39 VAL HB 1 40 TYR H 3.500 . 3.500 3.726 3.258 4.526 1.026 14 3 "[ *- 1 +.]" 1
704 1 39 VAL HB 1 47 TRP HZ3 3.500 . 4.800 4.197 2.322 4.874 0.074 13 0 "[ . 1 .]" 1
705 1 39 VAL HB 1 50 ASN H 3.200 . 4.500 7.767 5.942 8.505 4.005 13 15 [***-********+**] 1
706 1 39 VAL HB 1 51 GLY H 3.200 . 4.500 7.058 5.680 8.797 4.297 3 15 [**+-***********] 1
707 1 39 VAL HB 1 52 ASN H 4.000 . 6.000 5.396 4.405 6.161 0.161 14 0 "[ . 1 .]" 1
708 1 39 VAL HB 1 83 TYR QE 4.000 . 6.000 3.343 2.174 4.338 . 0 0 "[ . 1 .]" 1
709 1 39 VAL HB 1 85 LYS QE 4.000 . 6.000 4.707 3.091 5.734 . 0 0 "[ . 1 .]" 1
710 1 39 VAL QG 1 40 TYR H 3.500 . 4.500 3.472 3.023 3.634 . 0 0 "[ . 1 .]" 1
711 1 39 VAL QG 1 83 TYR H 2.500 . 3.500 3.149 2.839 3.619 0.119 10 0 "[ . 1 .]" 1
712 1 40 TYR H 1 40 TYR HB2 4.000 . 6.000 3.781 3.540 3.890 . 0 0 "[ . 1 .]" 1
713 1 40 TYR H 1 40 TYR HB3 4.000 . 4.500 3.064 2.791 3.375 . 0 0 "[ . 1 .]" 1
714 1 40 TYR H 1 40 TYR QD 2.700 . 3.500 3.002 1.847 3.353 . 0 0 "[ . 1 .]" 1
715 1 40 TYR H 1 40 TYR QE 3.700 . 6.000 4.425 3.588 4.827 . 0 0 "[ . 1 .]" 1
716 1 40 TYR H 1 41 ALA H 3.700 . 6.000 4.407 4.251 4.518 . 0 0 "[ . 1 .]" 1
717 1 40 TYR H 1 52 ASN H 3.700 . 6.000 5.195 4.469 6.038 0.038 2 0 "[ . 1 .]" 1
718 1 40 TYR H 1 52 ASN QB . . 3.500 3.227 2.770 3.855 0.355 5 0 "[ . 1 .]" 1
719 1 40 TYR H 1 53 ILE HA 4.000 . 4.500 3.623 3.369 3.993 . 0 0 "[ . 1 .]" 1
720 1 40 TYR HA 1 40 TYR QD 3.500 . 4.800 3.693 3.636 3.752 . 0 0 "[ . 1 .]" 1
721 1 40 TYR HA 1 41 ALA H 2.700 . 2.700 2.128 1.999 2.403 . 0 0 "[ . 1 .]" 1
722 1 40 TYR HA 1 47 TRP HE3 4.000 . 6.000 5.360 4.004 6.277 0.277 13 0 "[ . 1 .]" 1
723 1 40 TYR HA 1 47 TRP HH2 4.000 . 6.000 2.938 2.064 4.092 . 0 0 "[ . 1 .]" 1
724 1 40 TYR HA 1 47 TRP HZ3 4.000 . 6.000 3.637 1.967 5.433 0.033 7 0 "[ . 1 .]" 1
725 1 40 TYR HA 1 82 PHE HA 3.500 . 4.800 2.351 1.825 2.912 . 0 0 "[ . 1 .]" 1
726 1 40 TYR HA 1 83 TYR H 4.000 . 4.500 3.309 2.970 3.645 . 0 0 "[ . 1 .]" 1
727 1 40 TYR HB2 1 41 ALA H 3.500 . 3.500 2.837 2.263 3.430 . 0 0 "[ . 1 .]" 1
728 1 40 TYR HB2 1 79 ILE MD 3.500 . 4.800 2.071 1.542 2.485 0.258 5 0 "[ . 1 .]" 1
729 1 40 TYR HB3 1 41 ALA H 3.500 . 3.500 3.914 3.620 4.138 0.638 2 4 "[ +* . - * .]" 1
730 1 40 TYR HB3 1 79 ILE MD 4.000 . 6.000 2.445 2.106 2.984 . 0 0 "[ . 1 .]" 1
731 1 40 TYR QD 1 41 ALA H 4.000 . 6.000 3.709 3.214 4.652 . 0 0 "[ . 1 .]" 1
732 1 40 TYR QD 1 42 ASP H 4.000 . 6.000 3.131 1.713 5.882 0.287 9 0 "[ . 1 .]" 1
733 1 40 TYR QD 1 42 ASP HA 4.000 . 6.000 2.958 2.021 5.113 . 0 0 "[ . 1 .]" 1
734 1 40 TYR QD 1 42 ASP QB 4.000 . 6.000 3.791 2.266 6.419 0.419 1 0 "[ . 1 .]" 1
735 1 40 TYR QD 1 54 ILE MD 4.000 . 6.000 5.247 3.961 5.514 . 0 0 "[ . 1 .]" 1
736 1 40 TYR QD 1 76 VAL MG1 3.500 . 4.800 3.566 3.096 4.012 . 0 0 "[ . 1 .]" 1
737 1 40 TYR QD 1 76 VAL MG2 4.000 . 6.000 5.050 4.450 5.342 . 0 0 "[ . 1 .]" 1
738 1 40 TYR QD 1 79 ILE HB 3.500 . 4.800 3.430 2.778 4.211 . 0 0 "[ . 1 .]" 1
739 1 40 TYR QD 1 79 ILE MD 3.500 . 4.800 2.737 2.158 3.002 . 0 0 "[ . 1 .]" 1
740 1 40 TYR QD 1 79 ILE QG 3.500 . 4.800 2.949 1.947 3.670 . 0 0 "[ . 1 .]" 1
741 1 40 TYR QD 1 79 ILE MG 4.000 . 6.000 4.349 3.844 4.856 . 0 0 "[ . 1 .]" 1
742 1 40 TYR QD 1 80 LYS H 3.200 . 4.500 4.279 3.026 5.879 1.379 2 4 "[*+ *- 1 .]" 1
743 1 40 TYR QE 1 42 ASP HA 4.000 . 6.000 3.005 1.460 6.022 0.540 4 1 "[ +. 1 .]" 1
744 1 40 TYR QE 1 42 ASP QB 4.000 . 6.000 3.336 1.577 7.038 1.038 1 1 "[+ . 1 .]" 1
745 1 40 TYR QE 1 76 VAL MG1 3.500 . 4.800 2.382 1.921 2.980 . 0 0 "[ . 1 .]" 1
746 1 40 TYR QE 1 76 VAL MG2 4.000 . 6.000 4.436 4.142 4.779 . 0 0 "[ . 1 .]" 1
747 1 40 TYR QE 1 79 ILE HB 3.500 . 4.800 3.823 3.020 4.684 . 0 0 "[ . 1 .]" 1
748 1 40 TYR QE 1 79 ILE MD 4.000 . 6.000 3.987 3.730 4.284 . 0 0 "[ . 1 .]" 1
749 1 41 ALA H 1 41 ALA MB 3.500 . 3.500 2.198 2.101 2.341 . 0 0 "[ . 1 .]" 1
750 1 41 ALA H 1 42 ASP H 3.700 . 6.000 3.979 3.407 4.550 . 0 0 "[ . 1 .]" 1
751 1 41 ALA H 1 50 ASN QD 3.700 . 6.000 8.655 6.976 9.538 3.538 11 15 [*********-+****] 1
752 1 41 ALA H 1 79 ILE MD 4.000 . 6.000 4.067 3.494 4.363 . 0 0 "[ . 1 .]" 1
753 1 41 ALA H 1 79 ILE QG 3.200 . 4.500 3.477 3.138 3.766 . 0 0 "[ . 1 .]" 1
754 1 41 ALA H 1 80 LYS H 4.000 . 4.500 4.213 3.887 4.462 . 0 0 "[ . 1 .]" 1
755 1 41 ALA H 1 81 GLU H 3.500 . 3.500 3.189 2.894 3.537 0.037 3 0 "[ . 1 .]" 1
756 1 41 ALA H 1 81 GLU HA 2.500 . 3.500 4.679 4.332 4.927 1.427 3 15 [**+*****-******] 1
757 1 41 ALA H 1 81 GLU QG 3.700 . 6.000 4.076 2.842 5.268 . 0 0 "[ . 1 .]" 1
758 1 41 ALA H 1 82 PHE HA 3.500 . 4.500 2.695 2.335 3.093 . 0 0 "[ . 1 .]" 1
759 1 41 ALA H 1 82 PHE HB3 3.200 . 4.500 2.960 2.508 3.918 . 0 0 "[ . 1 .]" 1
760 1 41 ALA H 1 82 PHE QD 2.500 . 3.500 4.647 4.161 5.284 1.784 8 15 [****-**+*******] 1
761 1 41 ALA H 1 83 TYR H 4.000 . 6.000 4.695 4.371 5.007 . 0 0 "[ . 1 .]" 1
762 1 41 ALA HA 1 42 ASP H 2.700 . 3.500 2.104 1.940 2.426 . 0 0 "[ . 1 .]" 1
763 1 41 ALA HA 1 52 ASN QD . . 3.500 3.167 2.440 3.489 . 0 0 "[ . 1 .]" 1
764 1 41 ALA HA 1 80 LYS H 3.700 . 6.000 5.089 4.828 5.526 . 0 0 "[ . 1 .]" 1
765 1 41 ALA MB 1 42 ASP H 3.500 . 3.500 3.307 2.406 3.623 0.123 9 0 "[ . 1 .]" 1
766 1 41 ALA MB 1 44 SER H 3.700 . 6.000 5.245 4.525 5.771 . 0 0 "[ . 1 .]" 1
767 1 41 ALA MB 1 45 ASP H 3.500 . 3.500 3.967 3.060 4.482 0.982 10 8 "[*** * + - **]" 1
768 1 41 ALA MB 1 45 ASP HA 3.500 . 4.800 3.065 1.755 4.570 0.045 4 0 "[ . 1 .]" 1
769 1 41 ALA MB 1 45 ASP HB3 4.000 . 6.000 4.843 2.473 6.430 0.430 2 0 "[ . 1 .]" 1
770 1 41 ALA MB 1 46 ASN H 3.500 . 4.500 2.998 1.996 3.958 . 0 0 "[ . 1 .]" 1
771 1 41 ALA MB 1 46 ASN HA 4.000 . 6.000 3.737 1.879 5.572 0.121 10 0 "[ . 1 .]" 1
772 1 41 ALA MB 1 47 TRP H 4.000 . 4.500 4.092 2.280 5.034 0.534 15 2 "[ -. 1 +]" 1
773 1 41 ALA MB 1 47 TRP HA 4.000 . 6.000 4.194 3.210 5.329 . 0 0 "[ . 1 .]" 1
774 1 41 ALA MB 1 47 TRP HD1 4.000 . 6.000 4.544 3.211 5.256 . 0 0 "[ . 1 .]" 1
775 1 41 ALA MB 1 47 TRP HE1 4.000 . 6.000 3.881 2.804 4.794 . 0 0 "[ . 1 .]" 1
776 1 41 ALA MB 1 47 TRP HH2 3.500 . 4.800 3.078 2.276 3.822 . 0 0 "[ . 1 .]" 1
777 1 41 ALA MB 1 47 TRP HZ2 3.500 . 4.800 3.200 2.305 4.183 . 0 0 "[ . 1 .]" 1
778 1 41 ALA MB 1 47 TRP HZ3 3.500 . 4.800 3.236 2.541 4.179 . 0 0 "[ . 1 .]" 1
779 1 41 ALA MB 1 80 LYS H 4.000 . 4.500 3.660 3.263 4.334 . 0 0 "[ . 1 .]" 1
780 1 41 ALA MB 1 80 LYS QB 3.500 . 4.800 3.002 2.326 4.019 . 0 0 "[ . 1 .]" 1
781 1 41 ALA MB 1 81 GLU H 3.500 . 3.500 2.533 2.176 3.199 . 0 0 "[ . 1 .]" 1
782 1 41 ALA MB 1 81 GLU QB 4.000 . 6.000 2.775 1.624 3.641 0.376 9 0 "[ . 1 .]" 1
783 1 41 ALA MB 1 81 GLU QG 3.500 . 4.800 2.403 1.614 3.420 0.186 3 0 "[ . 1 .]" 1
784 1 42 ASP H 1 42 ASP HA 2.700 . 3.500 2.701 2.328 2.888 . 0 0 "[ . 1 .]" 1
785 1 42 ASP H 1 42 ASP QB 3.500 . 3.500 2.329 2.077 2.744 . 0 0 "[ . 1 .]" 1
786 1 42 ASP H 1 43 GLY H 4.000 . 6.000 4.556 4.127 4.671 . 0 0 "[ . 1 .]" 1
787 1 42 ASP H 1 45 ASP H 3.700 . 6.000 4.704 4.037 5.779 . 0 0 "[ . 1 .]" 1
788 1 42 ASP H 1 46 ASN H 3.500 . 3.500 4.306 3.812 4.624 1.124 3 13 "[**+ *** *-*****]" 1
789 1 42 ASP H 1 46 ASN QB 3.200 . 4.500 5.945 3.892 6.502 2.002 10 14 "[*** ***-*+*****]" 1
790 1 42 ASP H 1 47 TRP HA 4.000 . 4.500 5.014 4.387 6.055 1.555 5 5 "[ +- * * * .]" 1
791 1 42 ASP H 1 47 TRP QB 3.200 . 4.500 6.018 5.606 6.995 2.495 10 15 [*********+***-*] 1
792 1 42 ASP H 1 47 TRP HH2 4.000 . 6.000 6.077 5.471 6.266 0.266 7 0 "[ . 1 .]" 1
793 1 42 ASP H 1 52 ASN QD 4.000 . 6.000 2.708 1.941 3.556 0.059 13 0 "[ . 1 .]" 1
794 1 42 ASP HA 1 43 GLY H 2.700 . 3.500 2.676 2.262 3.460 . 0 0 "[ . 1 .]" 1
795 1 42 ASP HA 1 79 ILE H 4.000 . 6.000 4.820 4.054 6.099 0.099 9 0 "[ . 1 .]" 1
796 1 42 ASP QB 1 43 GLY H . . 2.700 2.414 1.861 3.109 0.409 14 0 "[ . 1 .]" 1
797 1 42 ASP QB 1 44 SER H 3.200 . 4.500 3.075 1.972 5.626 1.126 14 1 "[ . 1 +.]" 1
798 1 42 ASP QB 1 80 LYS H 3.700 . 6.000 5.177 4.303 5.532 . 0 0 "[ . 1 .]" 1
799 1 43 GLY H 1 45 ASP H 3.700 . 6.000 4.326 3.301 5.654 . 0 0 "[ . 1 .]" 1
800 1 43 GLY H 1 45 ASP HA 3.700 . 6.000 6.141 4.914 6.856 0.856 5 2 "[ + - .]" 1
801 1 43 GLY H 1 46 ASN H 3.700 . 6.000 5.869 3.305 6.831 0.831 5 2 "[- + 1 .]" 1
802 1 43 GLY H 1 78 GLY QA 3.200 . 4.500 3.531 2.477 5.722 1.222 4 2 "[ +. -1 .]" 1
803 1 43 GLY QA 1 44 SER H . . 2.700 2.800 2.119 2.930 0.230 11 0 "[ . 1 .]" 1
804 1 43 GLY QA 1 45 ASP H 3.200 . 4.500 3.597 3.229 4.700 0.200 4 0 "[ . 1 .]" 1
805 1 43 GLY QA 1 79 ILE H 3.200 . 4.500 3.962 3.032 5.998 1.498 13 2 "[ . 1 -+ .]" 1
806 1 44 SER H 1 44 SER QB . . 2.700 2.338 2.208 2.535 . 0 0 "[ . 1 .]" 1
807 1 44 SER H 1 45 ASP H . . 2.700 2.282 1.753 2.650 0.047 10 0 "[ . 1 .]" 1
808 1 44 SER H 1 46 ASN H . . 3.500 4.001 3.355 4.617 1.117 10 8 "[**- .** + * *]" 1
809 1 44 SER H 1 46 ASN QB 3.700 . 6.000 5.160 3.813 6.606 0.606 13 1 "[ . 1 + .]" 1
810 1 44 SER H 1 80 LYS QB 3.700 . 6.000 4.746 3.338 6.355 0.355 15 0 "[ . 1 .]" 1
811 1 44 SER H 1 80 LYS QG 3.700 . 6.000 4.699 3.932 5.719 . 0 0 "[ . 1 .]" 1
812 1 44 SER HA 1 44 SER QB 4.000 . 6.000 2.371 2.322 2.401 . 0 0 "[ . 1 .]" 1
813 1 44 SER HA 1 45 ASP H 3.500 . 3.500 3.420 3.287 3.558 0.058 4 0 "[ . 1 .]" 1
814 1 44 SER HA 1 46 ASN H 4.000 . 6.000 5.050 4.382 6.066 0.066 1 0 "[ . 1 .]" 1
815 1 44 SER QB 1 45 ASP H 3.500 . 3.700 2.901 2.209 3.076 . 0 0 "[ . 1 .]" 1
816 1 45 ASP H 1 45 ASP HA 2.700 . 2.700 2.369 2.248 2.782 0.082 10 0 "[ . 1 .]" 1
817 1 45 ASP H 1 45 ASP HB2 . . 3.500 3.463 2.471 4.138 0.638 14 2 "[ -. 1 +.]" 1
818 1 45 ASP H 1 45 ASP HB3 3.500 . 4.500 3.697 2.610 4.184 . 0 0 "[ . 1 .]" 1
819 1 45 ASP H 1 46 ASN H . . 3.500 2.522 1.943 3.082 0.057 14 0 "[ . 1 .]" 1
820 1 45 ASP H 1 46 ASN QB 3.200 . 4.500 4.308 3.078 5.246 0.746 13 2 "[- . 1 + .]" 1
821 1 45 ASP H 1 80 LYS QB . . 3.500 3.601 2.491 4.608 1.108 8 6 "[ *. *+ 1 *-*]" 1
822 1 45 ASP H 1 80 LYS QG . . 3.500 3.564 2.654 4.732 1.232 14 2 "[ -. 1 +.]" 1
823 1 45 ASP HA 1 46 ASN H 3.500 . 3.500 2.802 2.189 3.487 . 0 0 "[ . 1 .]" 1
824 1 45 ASP HA 1 80 LYS QB 3.500 . 4.800 2.978 2.007 4.847 0.047 10 0 "[ . 1 .]" 1
825 1 45 ASP HB2 1 46 ASN H 3.700 . 6.000 4.369 3.381 4.607 . 0 0 "[ . 1 .]" 1
826 1 45 ASP HB3 1 46 ASN H 4.000 . 6.000 4.193 1.794 4.674 0.206 10 0 "[ . 1 .]" 1
827 1 45 ASP HB3 1 80 LYS QB 3.500 . 4.800 4.436 2.507 5.235 0.435 15 0 "[ . 1 .]" 1
828 1 46 ASN H 1 46 ASN QB 3.500 . 3.500 2.778 2.313 3.325 . 0 0 "[ . 1 .]" 1
829 1 46 ASN H 1 47 TRP H 4.000 . 4.500 4.175 3.624 4.365 . 0 0 "[ . 1 .]" 1
830 1 46 ASN HA 1 47 TRP H 3.500 . 3.500 2.274 2.131 2.535 . 0 0 "[ . 1 .]" 1
831 1 46 ASN HA 1 48 ASN H 3.200 . 4.500 5.218 4.701 5.782 1.282 11 11 "[* ***-* *+** *]" 1
832 1 46 ASN QB 1 46 ASN QD . . 3.500 2.152 2.106 2.212 . 0 0 "[ . 1 .]" 1
833 1 46 ASN QB 1 47 TRP H 3.500 . 4.500 3.484 2.153 4.006 . 0 0 "[ . 1 .]" 1
834 1 46 ASN QB 1 48 ASN H 3.200 . 4.500 4.459 3.777 5.531 1.031 1 4 "[+ *- * .]" 1
835 1 46 ASN QD 1 48 ASN H 3.700 . 6.000 5.269 2.473 7.329 1.329 10 2 "[- . + .]" 1
836 1 47 TRP H 1 47 TRP HA . . 2.700 2.878 2.591 2.951 0.251 15 0 "[ . 1 .]" 1
837 1 47 TRP H 1 47 TRP QB . . 3.500 2.553 2.176 3.035 . 0 0 "[ . 1 .]" 1
838 1 47 TRP H 1 47 TRP HD1 3.500 . 3.500 3.666 1.929 4.926 1.426 6 8 "[*** .+ -*** .]" 1
839 1 47 TRP H 1 47 TRP HE1 3.700 . 6.000 5.403 3.620 6.852 0.852 2 4 "[ +* .- 1* .]" 1
840 1 47 TRP H 1 48 ASN HA 3.700 . 6.000 5.061 4.725 5.859 . 0 0 "[ . 1 .]" 1
841 1 47 TRP HA 1 47 TRP HZ3 4.000 . 6.000 6.067 5.514 6.355 0.355 5 0 "[ . 1 .]" 1
842 1 47 TRP HA 1 48 ASN H 4.000 . 4.500 2.177 2.067 2.285 . 0 0 "[ . 1 .]" 1
843 1 47 TRP QB 1 47 TRP HZ3 3.500 . 4.800 4.617 4.456 4.682 . 0 0 "[ . 1 .]" 1
844 1 47 TRP QB 1 48 ASN H 4.000 . 4.500 3.664 3.321 3.962 . 0 0 "[ . 1 .]" 1
845 1 47 TRP QB 1 49 ASN H 3.700 . 6.000 4.076 2.064 6.181 0.181 15 0 "[ . 1 .]" 1
846 1 47 TRP HD1 1 48 ASN H 3.200 . 4.500 4.399 2.151 5.656 1.156 4 6 "[ +. -**1 **]" 1
847 1 47 TRP HE3 1 82 PHE HA 3.500 . 4.800 4.960 4.800 5.876 1.076 13 1 "[ . 1 + .]" 1
848 1 47 TRP HE3 1 83 TYR QE 3.500 . 4.800 3.952 3.033 4.828 0.028 6 0 "[ . 1 .]" 1
849 1 47 TRP HH2 1 48 ASN H 3.700 . 6.000 8.989 8.273 9.504 3.504 14 15 [**********-**+*] 1
850 1 47 TRP HH2 1 82 PHE HA 4.000 . 6.000 2.251 1.934 4.466 0.066 13 0 "[ . 1 .]" 1
851 1 47 TRP HH2 1 83 TYR QD 3.500 . 4.800 3.838 2.667 4.808 0.008 5 0 "[ . 1 .]" 1
852 1 47 TRP HH2 1 83 TYR QE 4.000 . 6.000 4.252 3.610 5.511 . 0 0 "[ . 1 .]" 1
853 1 47 TRP HZ2 1 82 PHE HA 4.000 . 6.000 4.358 2.112 5.818 . 0 0 "[ . 1 .]" 1
854 1 47 TRP HZ3 1 48 ASN H 3.700 . 6.000 8.093 7.561 8.542 2.542 3 15 [**+*****-******] 1
855 1 47 TRP HZ3 1 83 TYR QE 4.000 . 6.000 3.540 2.771 4.376 . 0 0 "[ . 1 .]" 1
856 1 48 ASN H 1 48 ASN HA 2.700 . 3.500 2.882 2.788 2.944 . 0 0 "[ . 1 .]" 1
857 1 48 ASN H 1 48 ASN HB2 4.000 . 4.500 2.853 2.273 3.682 . 0 0 "[ . 1 .]" 1
858 1 48 ASN H 1 48 ASN HB3 3.500 . 4.500 2.791 2.220 3.615 . 0 0 "[ . 1 .]" 1
859 1 48 ASN H 1 49 ASN QB 3.200 . 4.500 5.611 5.007 6.327 1.827 13 15 [***-********+**] 1
860 1 48 ASN HA 1 48 ASN QD 3.200 . 4.500 3.695 1.865 4.349 . 0 0 "[ . 1 .]" 1
861 1 48 ASN HA 1 49 ASN H . . 2.700 2.620 2.225 3.043 0.343 8 0 "[ . 1 .]" 1
862 1 48 ASN HB2 1 49 ASN H 3.700 . 6.000 4.107 2.304 4.685 . 0 0 "[ . 1 .]" 1
863 1 48 ASN HB3 1 49 ASN H 3.700 . 6.000 3.973 1.956 4.658 0.044 13 0 "[ . 1 .]" 1
864 1 48 ASN HB3 1 50 ASN QB 3.500 . 4.800 4.027 2.581 4.915 0.115 15 0 "[ . 1 .]" 1
865 1 48 ASN QD 1 51 GLY QA 3.700 . 6.000 6.323 2.642 7.788 1.788 9 10 "[*** *** +1 *-*.]" 1
866 1 49 ASN H 1 49 ASN HA 2.700 . 2.700 2.502 2.259 2.884 0.184 15 0 "[ . 1 .]" 1
867 1 49 ASN H 1 49 ASN QB 4.000 . 4.500 2.849 2.274 3.352 . 0 0 "[ . 1 .]" 1
868 1 49 ASN H 1 49 ASN HD21 3.700 . 6.000 4.850 3.334 5.724 . 0 0 "[ . 1 .]" 1
869 1 49 ASN H 1 50 ASN H 3.500 . 3.500 3.157 2.618 4.146 0.646 3 1 "[ + . 1 .]" 1
870 1 49 ASN HA 1 49 ASN QB 3.500 . 4.800 2.354 2.181 2.454 . 0 0 "[ . 1 .]" 1
871 1 49 ASN HA 1 50 ASN H 2.500 . 3.500 2.836 2.190 3.556 0.056 4 0 "[ . 1 .]" 1
872 1 49 ASN QB 1 49 ASN HD22 2.500 . 3.500 3.239 3.209 3.298 . 0 0 "[ . 1 .]" 1
873 1 49 ASN QB 1 50 ASN H 4.000 . 4.500 3.592 2.177 4.014 . 0 0 "[ . 1 .]" 1
874 1 49 ASN QB 1 51 GLY H 3.700 . 6.000 5.237 3.748 6.787 0.787 1 2 "[+ - . 1 .]" 1
875 1 50 ASN H 1 50 ASN HA 2.700 . 3.500 2.909 2.803 2.954 . 0 0 "[ . 1 .]" 1
876 1 50 ASN H 1 50 ASN QB . . 3.500 2.514 2.237 2.828 . 0 0 "[ . 1 .]" 1
877 1 50 ASN HA 1 51 GLY H 2.500 . 3.500 3.173 2.185 3.589 0.089 10 0 "[ . 1 .]" 1
878 1 50 ASN QB 1 50 ASN QD 3.500 . 3.500 2.238 2.104 2.708 . 0 0 "[ . 1 .]" 1
879 1 50 ASN QB 1 51 GLY H 2.500 . 3.500 2.837 1.795 3.734 0.234 12 0 "[ . 1 .]" 1
880 1 50 ASN QB 1 52 ASN H 3.200 . 4.500 3.740 2.842 4.753 0.253 10 0 "[ . 1 .]" 1
881 1 50 ASN QB 1 52 ASN QD 2.500 . 3.500 3.457 2.919 4.917 1.417 11 1 "[ . 1+ .]" 1
882 1 51 GLY H 1 51 GLY QA . . 2.700 2.255 2.156 2.437 . 0 0 "[ . 1 .]" 1
883 1 51 GLY H 1 52 ASN H . . 3.500 3.030 2.161 3.489 . 0 0 "[ . 1 .]" 1
884 1 51 GLY QA 1 52 ASN H 3.500 . 3.700 2.485 2.172 2.778 . 0 0 "[ . 1 .]" 1
885 1 52 ASN H 1 52 ASN HA . . 2.700 2.799 2.255 2.953 0.253 6 0 "[ . 1 .]" 1
886 1 52 ASN H 1 52 ASN QB . . 3.500 2.743 2.269 3.419 . 0 0 "[ . 1 .]" 1
887 1 52 ASN H 1 52 ASN QD 3.700 . 6.000 3.371 1.917 4.315 0.083 7 0 "[ . 1 .]" 1
888 1 52 ASN H 1 53 ILE H 3.200 . 4.500 3.667 2.674 4.412 . 0 0 "[ . 1 .]" 1
889 1 52 ASN H 1 53 ILE MG 3.200 . 4.500 4.353 2.938 5.848 1.348 5 3 "[- + * 1 .]" 1
890 1 52 ASN HA 1 52 ASN QB 4.000 . 6.000 2.335 2.168 2.438 . 0 0 "[ . 1 .]" 1
891 1 52 ASN HA 1 53 ILE H 2.700 . 3.500 2.351 2.134 2.826 . 0 0 "[ . 1 .]" 1
892 1 52 ASN QB 1 52 ASN QD 3.500 . 3.500 2.203 2.065 2.666 . 0 0 "[ . 1 .]" 1
893 1 52 ASN QB 1 53 ILE H . . 3.500 3.748 3.476 4.036 0.536 15 1 "[ . 1 +]" 1
894 1 53 ILE H 1 53 ILE HB 3.500 . 3.500 3.099 2.745 3.411 . 0 0 "[ . 1 .]" 1
895 1 53 ILE H 1 53 ILE MD 3.500 . 4.800 4.077 3.913 4.237 . 0 0 "[ . 1 .]" 1
896 1 53 ILE H 1 53 ILE QG 3.500 . 4.800 4.201 4.143 4.254 . 0 0 "[ . 1 .]" 1
897 1 53 ILE H 1 53 ILE MG . . 2.700 2.109 1.806 2.419 . 0 0 "[ . 1 .]" 1
898 1 53 ILE H 1 54 ILE H 4.000 . 4.500 4.393 4.162 4.474 . 0 0 "[ . 1 .]" 1
899 1 53 ILE H 1 54 ILE HA 3.700 . 6.000 4.996 4.666 5.155 . 0 0 "[ . 1 .]" 1
900 1 53 ILE H 1 54 ILE HB 2.500 . 3.500 5.580 5.292 6.307 2.807 11 15 [***-******+****] 1
901 1 53 ILE HA 1 53 ILE MD 4.000 . 6.000 3.230 2.111 3.571 . 0 0 "[ . 1 .]" 1
902 1 53 ILE HA 1 53 ILE QG 3.500 . 4.800 2.461 2.369 2.641 . 0 0 "[ . 1 .]" 1
903 1 53 ILE HA 1 53 ILE MG 3.500 . 4.800 3.193 3.179 3.209 . 0 0 "[ . 1 .]" 1
904 1 53 ILE HA 1 54 ILE H 2.700 . 2.700 2.140 2.050 2.200 . 0 0 "[ . 1 .]" 1
905 1 53 ILE HA 1 54 ILE HB 4.000 . 6.000 4.458 4.365 4.637 . 0 0 "[ . 1 .]" 1
906 1 53 ILE HB 1 54 ILE H 3.500 . 4.500 3.987 3.925 4.071 . 0 0 "[ . 1 .]" 1
907 1 53 ILE MD 1 54 ILE H 3.500 . 4.800 2.944 2.590 3.256 . 0 0 "[ . 1 .]" 1
908 1 53 ILE MD 1 55 ALA H 3.700 . 6.000 3.457 2.560 5.782 . 0 0 "[ . 1 .]" 1
909 1 53 ILE QG 1 54 ILE H 3.500 . 4.500 2.224 1.997 2.405 . 0 0 "[ . 1 .]" 1
910 1 53 ILE QG 1 55 ALA HA 3.500 . 4.800 3.969 3.618 4.567 . 0 0 "[ . 1 .]" 1
911 1 53 ILE MG 1 54 ILE H 4.000 . 6.000 3.883 3.469 4.105 . 0 0 "[ . 1 .]" 1
912 1 53 ILE MG 1 55 ALA HA 4.000 . 6.000 5.312 4.838 5.600 . 0 0 "[ . 1 .]" 1
913 1 54 ILE H 1 54 ILE HB 3.500 . 4.500 2.973 2.672 3.284 . 0 0 "[ . 1 .]" 1
914 1 54 ILE H 1 54 ILE MD 3.200 . 4.500 4.302 3.461 4.787 0.287 5 0 "[ . 1 .]" 1
915 1 54 ILE H 1 54 ILE QG 3.500 . 4.500 4.077 2.311 4.294 . 0 0 "[ . 1 .]" 1
916 1 54 ILE H 1 54 ILE MG 3.500 . 4.500 2.477 2.213 3.848 . 0 0 "[ . 1 .]" 1
917 1 54 ILE H 1 55 ALA H 2.500 . 3.500 4.328 4.142 4.430 0.930 7 15 [******+**-*****] 1
918 1 54 ILE HA 1 54 ILE MD 3.500 . 4.800 2.388 1.897 3.749 . 0 0 "[ . 1 .]" 1
919 1 54 ILE HA 1 54 ILE QG 3.500 . 4.800 2.592 2.154 3.067 . 0 0 "[ . 1 .]" 1
920 1 54 ILE HA 1 54 ILE MG 3.500 . 4.800 3.147 2.254 3.234 . 0 0 "[ . 1 .]" 1
921 1 54 ILE HA 1 55 ALA H 2.700 . 2.700 2.210 2.158 2.285 . 0 0 "[ . 1 .]" 1
922 1 54 ILE HB 1 55 ALA H 4.000 . 4.500 4.307 4.048 4.439 . 0 0 "[ . 1 .]" 1
923 1 54 ILE MD 1 54 ILE QG 4.000 . 6.000 1.885 1.857 1.893 0.143 5 0 "[ . 1 .]" 1
924 1 54 ILE MD 1 55 ALA H 3.700 . 6.000 3.315 2.816 4.418 . 0 0 "[ . 1 .]" 1
925 1 54 ILE QG 1 55 ALA H 4.000 . 4.500 2.798 2.345 4.811 0.311 11 0 "[ . 1 .]" 1
926 1 54 ILE QG 1 56 ALA H 3.200 . 4.500 5.186 5.052 5.248 0.748 11 15 [***-******+****] 1
927 1 54 ILE MG 1 55 ALA H 3.500 . 3.500 3.663 2.817 4.076 0.576 10 2 "[- . + .]" 1
928 1 54 ILE MG 1 56 ALA H 3.200 . 4.500 4.340 3.270 4.996 0.496 1 0 "[ . 1 .]" 1
929 1 54 ILE MG 1 72 PHE QD 4.000 . 6.000 3.134 2.066 4.244 . 0 0 "[ . 1 .]" 1
930 1 54 ILE MG 1 74 ALA MB 4.000 . 6.000 2.802 2.267 3.388 . 0 0 "[ . 1 .]" 1
931 1 55 ALA H 1 55 ALA MB 3.500 . 3.500 2.314 2.252 2.374 . 0 0 "[ . 1 .]" 1
932 1 55 ALA H 1 56 ALA H 3.700 . 4.500 4.469 4.046 4.583 0.083 10 0 "[ . 1 .]" 1
933 1 55 ALA HA 1 56 ALA H 2.700 . 2.700 2.156 2.107 2.255 . 0 0 "[ . 1 .]" 1
934 1 55 ALA HA 1 56 ALA MB 4.000 . 6.000 3.952 3.821 4.027 . 0 0 "[ . 1 .]" 1
935 1 55 ALA MB 1 56 ALA H . . 3.500 3.054 2.822 3.588 0.088 11 0 "[ . 1 .]" 1
936 1 56 ALA H 1 56 ALA HA . . 2.700 2.877 2.711 2.926 0.226 14 0 "[ . 1 .]" 1
937 1 56 ALA H 1 56 ALA MB . . 2.700 2.247 2.095 2.319 . 0 0 "[ . 1 .]" 1
938 1 56 ALA H 1 57 SER H 3.200 . 4.500 4.594 4.541 4.666 0.166 11 0 "[ . 1 .]" 1
939 1 56 ALA H 1 72 PHE QB 3.700 . 6.000 5.066 4.245 7.515 1.515 8 1 "[ . + 1 .]" 1
940 1 56 ALA HA 1 57 SER H 2.700 . 3.500 2.364 2.259 2.487 . 0 0 "[ . 1 .]" 1
941 1 56 ALA MB 1 57 SER H 3.500 . 3.500 2.513 2.299 2.885 . 0 0 "[ . 1 .]" 1
942 1 56 ALA MB 1 58 PHE H 3.700 . 6.000 5.050 4.734 5.465 . 0 0 "[ . 1 .]" 1
943 1 56 ALA MB 1 72 PHE QD 4.000 . 6.000 3.332 2.892 4.063 . 0 0 "[ . 1 .]" 1
944 1 57 SER H 1 57 SER QB 2.700 . 3.500 2.598 2.427 2.892 . 0 0 "[ . 1 .]" 1
945 1 57 SER H 1 58 PHE H . . 3.500 4.341 4.246 4.450 0.950 6 15 [**-**+*********] 1
946 1 57 SER H 1 70 TRP QB 4.000 . 6.000 3.902 3.684 4.222 . 0 0 "[ . 1 .]" 1
947 1 57 SER H 1 71 THR H 3.200 . 3.500 3.391 3.362 3.434 . 0 0 "[ . 1 .]" 1
948 1 57 SER H 1 71 THR MG 3.700 . 6.000 5.804 5.626 5.978 . 0 0 "[ . 1 .]" 1
949 1 57 SER H 1 72 PHE HA 3.200 . 4.500 3.967 2.912 4.556 0.056 1 0 "[ . 1 .]" 1
950 1 57 SER H 1 72 PHE QB 3.200 . 4.500 2.753 1.940 5.361 0.861 8 1 "[ . + 1 .]" 1
951 1 57 SER HA 1 58 PHE H 3.500 . 3.500 2.234 2.107 2.645 . 0 0 "[ . 1 .]" 1
952 1 57 SER QB 1 58 PHE H 3.500 . 3.500 3.283 2.215 3.746 0.246 3 0 "[ . 1 .]" 1
953 1 57 SER QB 1 59 SER H 3.700 . 6.000 5.594 5.345 5.835 . 0 0 "[ . 1 .]" 1
954 1 57 SER QB 1 71 THR H 3.700 . 6.000 3.830 3.264 4.583 . 0 0 "[ . 1 .]" 1
955 1 58 PHE H 1 58 PHE HA 2.200 . 2.700 2.823 2.800 2.872 0.172 14 0 "[ . 1 .]" 1
956 1 58 PHE H 1 58 PHE QB 3.500 . 3.500 2.650 2.425 3.066 . 0 0 "[ . 1 .]" 1
957 1 58 PHE H 1 58 PHE QD 4.000 . 4.500 2.216 1.597 3.126 0.403 5 0 "[ . 1 .]" 1
958 1 58 PHE H 1 59 SER H . . 3.500 4.506 4.290 4.572 1.072 1 15 [+**********-***] 1
959 1 58 PHE H 1 70 TRP QB 3.700 . 6.000 4.982 4.407 5.471 . 0 0 "[ . 1 .]" 1
960 1 58 PHE H 1 70 TRP HD1 3.700 . 6.000 7.646 6.214 8.526 2.526 4 14 "[***+* -********]" 1
961 1 58 PHE H 1 70 TRP HZ3 3.200 . 4.500 4.688 3.714 5.576 1.076 6 6 "[ **+ * 1 * -.]" 1
962 1 58 PHE HA 1 58 PHE QB 3.500 . 4.800 2.216 2.148 2.327 . 0 0 "[ . 1 .]" 1
963 1 58 PHE HA 1 58 PHE QD 4.000 . 6.000 3.452 2.613 3.680 . 0 0 "[ . 1 .]" 1
964 1 58 PHE HA 1 58 PHE QE 4.000 . 6.000 5.293 4.835 5.583 . 0 0 "[ . 1 .]" 1
965 1 58 PHE HA 1 71 THR H 3.700 . 6.000 3.249 2.428 3.802 . 0 0 "[ . 1 .]" 1
966 1 58 PHE QB 1 58 PHE QE 4.000 . 4.800 3.916 3.894 3.969 . 0 0 "[ . 1 .]" 1
967 1 58 PHE QB 1 59 SER H 2.700 . 3.500 2.846 2.773 2.939 . 0 0 "[ . 1 .]" 1
968 1 58 PHE QB 1 59 SER HA 4.000 . 6.000 4.394 3.983 4.757 . 0 0 "[ . 1 .]" 1
969 1 58 PHE QB 1 60 GLY H 3.500 . 3.500 3.279 2.809 3.697 0.197 6 0 "[ . 1 .]" 1
970 1 58 PHE QB 1 70 TRP HA 3.500 . 4.800 3.750 2.687 4.580 . 0 0 "[ . 1 .]" 1
971 1 58 PHE QB 1 70 TRP HE1 3.700 . 6.000 5.205 3.524 6.898 0.898 4 4 "[ +- * * .]" 1
972 1 58 PHE QB 1 70 TRP HH2 4.000 . 6.000 4.740 3.960 5.730 . 0 0 "[ . 1 .]" 1
973 1 58 PHE QB 1 71 THR H 3.200 . 4.500 4.928 4.057 5.497 0.997 5 8 "[-* *+* * ** .]" 1
974 1 58 PHE QD 1 59 SER H 3.500 . 4.500 3.977 3.433 4.545 0.045 6 0 "[ . 1 .]" 1
975 1 58 PHE QE 1 59 SER H 3.700 . 6.000 6.022 5.452 6.593 0.593 6 1 "[ .+ 1 .]" 1
976 1 59 SER H 1 59 SER QB . . 2.700 2.416 2.296 2.572 . 0 0 "[ . 1 .]" 1
977 1 59 SER H 1 60 GLY H 3.500 . 3.500 2.112 1.983 2.292 . 0 0 "[ . 1 .]" 1
978 1 59 SER H 1 60 GLY HA3 3.700 . 6.000 4.774 4.614 4.978 . 0 0 "[ . 1 .]" 1
979 1 59 SER H 1 69 TYR H 3.700 . 6.000 3.930 3.546 4.336 . 0 0 "[ . 1 .]" 1
980 1 59 SER H 1 69 TYR QB 3.200 . 4.500 3.632 3.363 4.014 . 0 0 "[ . 1 .]" 1
981 1 59 SER H 1 70 TRP H 3.200 . 4.500 4.569 4.414 4.786 0.286 5 0 "[ . 1 .]" 1
982 1 59 SER H 1 70 TRP HA 2.700 . 3.500 2.626 2.175 2.843 . 0 0 "[ . 1 .]" 1
983 1 59 SER H 1 70 TRP QB 3.700 . 6.000 4.580 4.111 4.776 . 0 0 "[ . 1 .]" 1
984 1 59 SER H 1 70 TRP HD1 4.000 . 4.500 5.395 3.128 5.983 1.483 4 14 "[**-+* *********]" 1
985 1 59 SER H 1 71 THR H 3.500 . 3.500 3.767 3.449 4.132 0.632 5 1 "[ + 1 .]" 1
986 1 59 SER H 1 71 THR MG 3.200 . 4.500 4.442 3.802 4.912 0.412 5 0 "[ . 1 .]" 1
987 1 59 SER HA 1 60 GLY H 4.000 . 4.500 3.530 3.466 3.568 . 0 0 "[ . 1 .]" 1
988 1 59 SER QB 1 60 GLY H 3.500 . 3.500 2.587 2.348 2.905 . 0 0 "[ . 1 .]" 1
989 1 59 SER QB 1 69 TYR H 3.200 . 4.500 4.472 3.980 5.103 0.603 9 1 "[ . +1 .]" 1
990 1 59 SER QB 1 71 THR H 3.200 . 4.500 3.970 2.924 5.337 0.837 14 1 "[ . 1 +.]" 1
991 1 59 SER QB 1 71 THR MG 3.500 . 4.800 2.935 2.308 3.910 . 0 0 "[ . 1 .]" 1
992 1 60 GLY H 1 60 GLY HA2 2.700 . 3.500 2.650 2.467 2.782 . 0 0 "[ . 1 .]" 1
993 1 60 GLY H 1 60 GLY HA3 . . 2.700 2.910 2.842 2.965 0.265 6 0 "[ . 1 .]" 1
994 1 60 GLY H 1 61 PRO QD 3.700 . 6.000 4.100 2.816 4.351 . 0 0 "[ . 1 .]" 1
995 1 60 GLY H 1 61 PRO QG 3.700 . 6.000 5.528 4.327 5.878 . 0 0 "[ . 1 .]" 1
996 1 60 GLY H 1 68 GLU HA 3.200 . 4.500 4.996 4.502 5.311 0.811 9 10 "[** .* -+* ****]" 1
997 1 60 GLY H 1 68 GLU QB 3.200 . 4.500 5.195 3.678 5.607 1.107 12 12 "[* *.-*****+***]" 1
998 1 60 GLY H 1 68 GLU QG 3.700 . 6.000 3.607 2.958 5.162 . 0 0 "[ . 1 .]" 1
999 1 60 GLY H 1 69 TYR H . . 3.500 2.983 2.419 3.237 . 0 0 "[ . 1 .]" 1
1000 1 60 GLY H 1 69 TYR HA 3.700 . 6.000 4.799 4.491 5.001 . 0 0 "[ . 1 .]" 1
1001 1 60 GLY H 1 69 TYR QB 2.000 . 2.700 2.759 2.621 2.871 0.171 5 0 "[ . 1 .]" 1
1002 1 60 GLY H 1 69 TYR QD 2.500 . 3.500 4.454 4.200 4.743 1.243 3 15 [**+-***********] 1
1003 1 60 GLY H 1 70 TRP HA 3.200 . 4.500 4.276 3.662 4.554 0.054 4 0 "[ . 1 .]" 1
1004 1 60 GLY H 1 71 THR MG 3.200 . 4.500 5.475 5.226 5.735 1.235 9 15 [********+*-****] 1
1005 1 60 GLY HA3 1 69 TYR H 3.700 . 6.000 4.935 4.149 5.239 . 0 0 "[ . 1 .]" 1
1006 1 61 PRO HA 1 62 ILE H 2.700 . 3.500 2.282 2.114 3.563 0.063 6 0 "[ . 1 .]" 1
1007 1 61 PRO HA 1 63 SER H 2.500 . 3.500 5.456 4.512 5.951 2.451 5 15 [****+-*********] 1
1008 1 61 PRO HA 1 69 TYR H 4.000 . 6.000 3.934 2.982 5.645 . 0 0 "[ . 1 .]" 1
1009 1 61 PRO HB2 1 61 PRO HD2 4.000 . 6.000 3.147 2.876 4.103 . 0 0 "[ . 1 .]" 1
1010 1 61 PRO HB2 1 62 ILE H . . 3.500 3.567 2.621 3.819 0.319 11 0 "[ . 1 .]" 1
1011 1 61 PRO HB3 1 61 PRO HD2 3.500 . 4.800 3.889 3.817 4.126 . 0 0 "[ . 1 .]" 1
1012 1 61 PRO HB3 1 61 PRO HD3 3.500 . 4.800 3.857 2.756 4.073 . 0 0 "[ . 1 .]" 1
1013 1 61 PRO HB3 1 62 ILE H 3.500 . 3.500 3.504 3.338 4.079 0.579 3 1 "[ + . 1 .]" 1
1014 1 61 PRO HB3 1 63 SER H 3.700 . 6.000 5.924 5.059 6.645 0.645 15 1 "[ . 1 +]" 1
1015 1 61 PRO QG 1 62 ILE H 3.700 . 6.000 4.636 4.106 4.759 . 0 0 "[ . 1 .]" 1
1016 1 61 PRO QG 1 69 TYR H 4.000 . 6.000 5.579 5.079 5.768 . 0 0 "[ . 1 .]" 1
1017 1 62 ILE H 1 62 ILE HB . . 2.700 2.639 2.515 2.814 0.114 6 0 "[ . 1 .]" 1
1018 1 62 ILE H 1 62 ILE MD 4.000 . 4.500 3.665 3.399 4.310 . 0 0 "[ . 1 .]" 1
1019 1 62 ILE H 1 62 ILE QG 3.500 . 3.500 2.134 1.978 3.017 . 0 0 "[ . 1 .]" 1
1020 1 62 ILE H 1 62 ILE MG 4.000 . 4.500 3.788 3.759 3.825 . 0 0 "[ . 1 .]" 1
1021 1 62 ILE H 1 63 SER H 4.000 . 4.500 4.257 3.806 4.502 0.002 5 0 "[ . 1 .]" 1
1022 1 62 ILE H 1 68 GLU HA 3.500 . 3.500 2.583 1.945 3.526 0.026 3 0 "[ . 1 .]" 1
1023 1 62 ILE H 1 68 GLU QB 3.200 . 4.500 4.519 3.897 5.512 1.012 3 3 "[ + .* 1- .]" 1
1024 1 62 ILE H 1 69 TYR H 4.000 . 6.000 4.436 2.675 5.424 . 0 0 "[ . 1 .]" 1
1025 1 62 ILE HA 1 62 ILE MD 4.000 . 6.000 3.840 3.739 3.890 . 0 0 "[ . 1 .]" 1
1026 1 62 ILE HA 1 63 SER H 2.700 . 3.700 2.161 2.096 2.236 . 0 0 "[ . 1 .]" 1
1027 1 62 ILE HB 1 62 ILE MD 3.500 . 4.800 2.422 2.329 2.555 . 0 0 "[ . 1 .]" 1
1028 1 62 ILE HB 1 62 ILE QG 2.200 . 2.700 2.355 2.314 2.413 . 0 0 "[ . 1 .]" 1
1029 1 62 ILE HB 1 63 SER H 3.200 . 4.500 4.305 4.080 4.491 . 0 0 "[ . 1 .]" 1
1030 1 62 ILE HB 1 67 TYR H 3.200 . 4.500 3.352 2.948 4.503 0.003 6 0 "[ . 1 .]" 1
1031 1 62 ILE MD 1 62 ILE MG 3.500 . 4.800 1.964 1.766 2.082 0.034 11 0 "[ . 1 .]" 1
1032 1 62 ILE MD 1 63 SER H 3.700 . 6.000 5.379 5.146 5.562 . 0 0 "[ . 1 .]" 1
1033 1 62 ILE MD 1 67 TYR HB2 3.500 . 4.800 2.517 1.782 3.227 0.018 8 0 "[ . 1 .]" 1
1034 1 62 ILE MD 1 67 TYR HB3 4.000 . 6.000 2.363 1.815 3.809 0.185 1 0 "[ . 1 .]" 1
1035 1 62 ILE MD 1 68 GLU H 4.000 . 4.500 3.355 2.634 3.825 . 0 0 "[ . 1 .]" 1
1036 1 62 ILE MD 1 68 GLU HA 4.000 . 6.000 3.664 3.361 3.876 . 0 0 "[ . 1 .]" 1
1037 1 62 ILE MD 1 69 TYR H . . 3.500 4.227 3.737 4.423 0.923 8 12 "[**- * *+** ****]" 1
1038 1 62 ILE MD 1 69 TYR QD 3.500 . 4.800 2.525 1.645 2.870 0.155 6 0 "[ . 1 .]" 1
1039 1 62 ILE MD 1 69 TYR QE 4.000 . 6.000 3.824 3.145 4.046 . 0 0 "[ . 1 .]" 1
1040 1 62 ILE QG 1 63 SER H 3.200 . 4.500 4.356 4.207 4.468 . 0 0 "[ . 1 .]" 1
1041 1 62 ILE QG 1 68 GLU HA 3.500 . 4.800 2.559 2.295 3.457 . 0 0 "[ . 1 .]" 1
1042 1 62 ILE QG 1 69 TYR H 4.000 . 4.500 3.503 2.908 3.715 . 0 0 "[ . 1 .]" 1
1043 1 62 ILE QG 1 69 TYR QD 4.000 . 4.800 3.149 2.173 3.393 . 0 0 "[ . 1 .]" 1
1044 1 62 ILE MG 1 63 SER H 3.500 . 3.500 3.120 2.719 3.464 . 0 0 "[ . 1 .]" 1
1045 1 62 ILE MG 1 65 SER QB 4.000 . 6.000 2.983 2.416 3.623 . 0 0 "[ . 1 .]" 1
1046 1 62 ILE MG 1 68 GLU HA 4.000 . 6.000 5.021 3.683 5.338 . 0 0 "[ . 1 .]" 1
1047 1 62 ILE MG 1 69 TYR QE 4.000 . 6.000 4.915 4.191 5.433 . 0 0 "[ . 1 .]" 1
1048 1 63 SER H 1 63 SER HA 2.700 . 2.700 2.806 2.733 2.942 0.242 6 0 "[ . 1 .]" 1
1049 1 63 SER H 1 63 SER QB 2.700 . 2.700 2.560 2.442 2.736 0.036 13 0 "[ . 1 .]" 1
1050 1 63 SER H 1 64 GLY H 3.700 . 4.500 4.499 4.435 4.583 0.083 12 0 "[ . 1 .]" 1
1051 1 63 SER HA 1 64 GLY H 2.200 . 2.700 2.149 2.102 2.445 . 0 0 "[ . 1 .]" 1
1052 1 63 SER QB 1 64 GLY H 3.500 . 3.500 3.253 3.010 3.364 . 0 0 "[ . 1 .]" 1
1053 1 64 GLY H 1 65 SER H 3.500 . 3.500 2.342 2.110 2.684 . 0 0 "[ . 1 .]" 1
1054 1 64 GLY HA3 1 65 SER H 2.500 . 3.500 3.188 2.866 3.430 . 0 0 "[ . 1 .]" 1
1055 1 65 SER H 1 65 SER HA 2.700 . 3.500 2.915 2.885 2.945 . 0 0 "[ . 1 .]" 1
1056 1 65 SER H 1 65 SER QB . . 2.700 2.784 2.650 2.924 0.224 3 0 "[ . 1 .]" 1
1057 1 65 SER H 1 66 ASN H 3.200 . 4.500 4.390 4.356 4.444 . 0 0 "[ . 1 .]" 1
1058 1 65 SER HA 1 65 SER QB 3.500 . 4.800 2.352 2.325 2.376 . 0 0 "[ . 1 .]" 1
1059 1 65 SER HA 1 66 ASN H . . 2.700 2.489 2.399 2.606 . 0 0 "[ . 1 .]" 1
1060 1 65 SER QB 1 66 ASN H . . 2.700 2.287 2.157 2.407 . 0 0 "[ . 1 .]" 1
1061 1 65 SER QB 1 67 TYR H 2.700 . 3.700 2.710 2.344 3.294 . 0 0 "[ . 1 .]" 1
1062 1 65 SER QB 1 67 TYR QD 3.500 . 4.800 3.365 2.068 3.819 . 0 0 "[ . 1 .]" 1
1063 1 65 SER QB 1 67 TYR QE 4.000 . 6.000 4.729 2.631 5.564 . 0 0 "[ . 1 .]" 1
1064 1 66 ASN H 1 66 ASN QB 3.500 . 3.500 2.492 2.122 2.963 . 0 0 "[ . 1 .]" 1
1065 1 66 ASN H 1 66 ASN HD21 3.200 . 4.500 4.081 2.365 4.987 0.487 10 0 "[ . 1 .]" 1
1066 1 66 ASN H 1 67 TYR H . . 3.500 2.902 2.211 3.559 0.059 3 0 "[ . 1 .]" 1
1067 1 66 ASN H 1 67 TYR QD 3.500 . 4.800 3.538 2.914 4.327 . 0 0 "[ . 1 .]" 1
1068 1 66 ASN H 1 67 TYR QE 3.700 . 6.000 4.898 3.912 5.477 . 0 0 "[ . 1 .]" 1
1069 1 66 ASN HA 1 66 ASN QB 3.500 . 4.800 2.358 2.181 2.528 . 0 0 "[ . 1 .]" 1
1070 1 66 ASN HA 1 66 ASN HD22 4.000 . 6.000 4.388 3.705 5.354 . 0 0 "[ . 1 .]" 1
1071 1 66 ASN HA 1 67 TYR H . . 3.500 2.816 2.414 3.207 . 0 0 "[ . 1 .]" 1
1072 1 66 ASN QB 1 66 ASN HD21 4.000 . 4.500 2.199 2.143 2.260 . 0 0 "[ . 1 .]" 1
1073 1 66 ASN QB 1 67 TYR H 4.000 . 4.500 3.852 3.513 4.012 . 0 0 "[ . 1 .]" 1
1074 1 67 TYR H 1 67 TYR HB2 3.500 . 3.500 2.534 2.264 2.758 . 0 0 "[ . 1 .]" 1
1075 1 67 TYR H 1 67 TYR HB3 3.500 . 4.500 3.604 3.414 3.701 . 0 0 "[ . 1 .]" 1
1076 1 67 TYR H 1 67 TYR QD 3.500 . 3.500 3.274 2.634 3.631 0.131 1 0 "[ . 1 .]" 1
1077 1 67 TYR H 1 68 GLU H 3.200 . 4.500 4.421 4.335 4.544 0.044 8 0 "[ . 1 .]" 1
1078 1 67 TYR HA 1 67 TYR QD 3.500 . 4.800 2.627 1.829 2.909 . 0 0 "[ . 1 .]" 1
1079 1 67 TYR HA 1 68 GLU H . . 2.700 2.428 2.263 2.660 . 0 0 "[ . 1 .]" 1
1080 1 67 TYR HB2 1 68 GLU H 3.500 . 4.500 3.658 3.157 4.080 . 0 0 "[ . 1 .]" 1
1081 1 67 TYR HB3 1 67 TYR QE 3.500 . 4.800 4.410 4.366 4.490 . 0 0 "[ . 1 .]" 1
1082 1 67 TYR HB3 1 68 GLU H 2.500 . 3.500 2.359 1.839 2.826 . 0 0 "[ . 1 .]" 1
1083 1 67 TYR QD 1 68 GLU H 3.500 . 3.500 3.557 3.208 4.331 0.831 4 2 "[ +. - 1 .]" 1
1084 1 68 GLU H 1 68 GLU QB . . 2.700 2.498 2.350 2.727 0.027 6 0 "[ . 1 .]" 1
1085 1 68 GLU H 1 68 GLU QG . . 3.500 4.069 3.815 4.208 0.708 6 13 "[* **+********-]" 1
1086 1 68 GLU H 1 69 TYR H 3.200 . 4.500 4.447 4.356 4.529 0.029 11 0 "[ . 1 .]" 1
1087 1 68 GLU H 1 70 TRP HD1 3.700 . 6.000 4.873 4.534 5.246 . 0 0 "[ . 1 .]" 1
1088 1 68 GLU H 1 70 TRP HE1 3.700 . 6.000 3.620 2.981 5.283 . 0 0 "[ . 1 .]" 1
1089 1 68 GLU HA 1 68 GLU QB 3.500 . 4.800 2.426 2.338 2.494 . 0 0 "[ . 1 .]" 1
1090 1 68 GLU HA 1 68 GLU QG 4.000 . 6.000 2.368 2.244 3.103 . 0 0 "[ . 1 .]" 1
1091 1 68 GLU HA 1 69 TYR H 2.700 . 3.500 2.600 2.372 2.698 . 0 0 "[ . 1 .]" 1
1092 1 68 GLU QB 1 69 TYR H . . 2.700 2.930 2.008 3.421 0.721 6 2 "[ .+ 1- .]" 1
1093 1 68 GLU QB 1 70 TRP HE1 3.200 . 4.500 2.104 1.825 2.600 . 0 0 "[ . 1 .]" 1
1094 1 68 GLU QG 1 69 TYR H 4.000 . 4.500 2.109 1.682 3.394 0.318 9 0 "[ . 1 .]" 1
1095 1 68 GLU QG 1 70 TRP HD1 4.000 . 6.000 4.279 2.608 5.390 . 0 0 "[ . 1 .]" 1
1096 1 68 GLU QG 1 70 TRP HE1 3.200 . 4.500 3.332 2.286 3.957 . 0 0 "[ . 1 .]" 1
1097 1 68 GLU QG 1 70 TRP HZ2 4.000 . 6.000 3.836 2.779 4.718 . 0 0 "[ . 1 .]" 1
1098 1 69 TYR H 1 69 TYR QB 3.500 . 3.500 2.657 2.426 2.778 . 0 0 "[ . 1 .]" 1
1099 1 69 TYR H 1 69 TYR QD 3.500 . 3.500 4.324 4.204 4.379 0.879 12 15 [*****-*****+***] 1
1100 1 69 TYR H 1 70 TRP H 3.200 . 4.500 4.116 3.973 4.425 . 0 0 "[ . 1 .]" 1
1101 1 69 TYR H 1 70 TRP HD1 4.000 . 4.500 3.760 3.119 4.473 . 0 0 "[ . 1 .]" 1
1102 1 69 TYR H 1 70 TRP HE1 3.700 . 6.000 3.931 3.376 4.428 . 0 0 "[ . 1 .]" 1
1103 1 69 TYR H 1 70 TRP HE3 4.000 . 6.000 6.353 6.165 8.113 2.113 6 1 "[ .+ 1 .]" 1
1104 1 69 TYR HA 1 69 TYR QD 2.700 . 3.700 1.898 1.742 2.177 . 0 0 "[ . 1 .]" 1
1105 1 69 TYR HA 1 70 TRP H 2.700 . 3.500 2.115 2.088 2.159 . 0 0 "[ . 1 .]" 1
1106 1 69 TYR QB 1 69 TYR QE 4.000 . 6.000 3.963 3.945 3.976 . 0 0 "[ . 1 .]" 1
1107 1 69 TYR QB 1 70 TRP H . . 3.500 3.728 3.634 3.823 0.323 13 0 "[ . 1 .]" 1
1108 1 69 TYR QD 1 70 TRP H . . 3.500 3.006 2.496 3.500 0.000 6 0 "[ . 1 .]" 1
1109 1 70 TRP H 1 70 TRP QB 2.700 . 2.700 2.571 2.499 2.669 . 0 0 "[ . 1 .]" 1
1110 1 70 TRP H 1 70 TRP HD1 3.500 . 3.500 2.287 2.083 3.003 . 0 0 "[ . 1 .]" 1
1111 1 70 TRP H 1 71 THR H 3.200 . 4.500 4.410 4.319 4.486 . 0 0 "[ . 1 .]" 1
1112 1 70 TRP HA 1 71 THR H 2.700 . 2.700 2.228 2.183 2.309 . 0 0 "[ . 1 .]" 1
1113 1 70 TRP HA 1 71 THR MG 4.000 . 6.000 3.931 3.789 4.137 . 0 0 "[ . 1 .]" 1
1114 1 70 TRP QB 1 71 THR H 3.500 . 3.500 3.006 2.707 3.283 . 0 0 "[ . 1 .]" 1
1115 1 70 TRP HD1 1 71 THR H 3.200 . 4.500 5.761 5.049 5.895 1.395 4 15 [***+*-*********] 1
1116 1 71 THR H 1 71 THR HB 3.500 . 3.500 3.755 3.603 3.859 0.359 1 0 "[ . 1 .]" 1
1117 1 71 THR H 1 71 THR MG 3.500 . 3.500 3.255 3.083 3.478 . 0 0 "[ . 1 .]" 1
1118 1 71 THR H 1 72 PHE H 3.200 . 4.500 4.384 4.294 4.539 0.039 8 0 "[ . 1 .]" 1
1119 1 71 THR HA 1 71 THR MG 3.500 . 4.800 2.292 2.206 2.374 . 0 0 "[ . 1 .]" 1
1120 1 71 THR HA 1 72 PHE H 2.700 . 3.500 2.277 2.228 2.333 . 0 0 "[ . 1 .]" 1
1121 1 71 THR HB 1 72 PHE H 3.500 . 3.500 2.957 2.721 3.236 . 0 0 "[ . 1 .]" 1
1122 1 71 THR MG 1 72 PHE H 3.500 . 3.500 3.624 3.314 3.764 0.264 9 0 "[ . 1 .]" 1
1123 1 72 PHE H 1 72 PHE HA 2.700 . 3.500 2.842 2.781 2.928 . 0 0 "[ . 1 .]" 1
1124 1 72 PHE H 1 72 PHE QB 3.500 . 4.500 3.144 2.489 3.303 . 0 0 "[ . 1 .]" 1
1125 1 72 PHE H 1 72 PHE QD . . 3.500 2.676 2.177 3.812 0.312 8 0 "[ . 1 .]" 1
1126 1 72 PHE H 1 73 SER H 3.200 . 4.500 4.301 4.186 4.378 . 0 0 "[ . 1 .]" 1
1127 1 72 PHE HA 1 72 PHE QD 3.500 . 4.800 3.600 2.172 3.727 . 0 0 "[ . 1 .]" 1
1128 1 72 PHE HA 1 73 SER H 2.700 . 2.700 2.237 2.061 2.375 . 0 0 "[ . 1 .]" 1
1129 1 72 PHE QB 1 73 SER H . . 2.700 2.627 2.252 2.995 0.295 2 0 "[ . 1 .]" 1
1130 1 72 PHE QD 1 73 SER H . . 3.500 3.544 2.666 4.188 0.688 6 1 "[ .+ 1 .]" 1
1131 1 72 PHE QD 1 74 ALA H 3.200 . 4.500 4.636 3.953 5.599 1.099 8 2 "[ .- + 1 .]" 1
1132 1 73 SER H 1 73 SER HB2 . . 3.500 3.339 2.600 3.828 0.328 7 0 "[ . 1 .]" 1
1133 1 73 SER H 1 73 SER HB3 3.500 . 3.500 3.504 3.111 3.984 0.484 8 0 "[ . 1 .]" 1
1134 1 73 SER H 1 74 ALA H 4.000 . 4.500 4.367 3.947 4.486 . 0 0 "[ . 1 .]" 1
1135 1 73 SER HA 1 74 ALA H 2.700 . 2.700 2.245 2.121 2.318 . 0 0 "[ . 1 .]" 1
1136 1 73 SER HB2 1 74 ALA H 2.700 . 3.500 3.328 2.857 4.133 0.633 8 1 "[ . + 1 .]" 1
1137 1 73 SER HB3 1 74 ALA H 4.000 . 4.500 3.536 2.849 3.998 . 0 0 "[ . 1 .]" 1
1138 1 74 ALA H 1 74 ALA MB . . 2.700 2.615 2.565 2.674 . 0 0 "[ . 1 .]" 1
1139 1 74 ALA H 1 75 SER H 3.200 . 4.500 4.128 3.904 4.370 . 0 0 "[ . 1 .]" 1
1140 1 74 ALA HA 1 75 SER H 2.700 . 2.700 2.174 2.133 2.235 . 0 0 "[ . 1 .]" 1
1141 1 74 ALA MB 1 75 SER H 3.500 . 3.500 3.247 2.934 3.482 . 0 0 "[ . 1 .]" 1
1142 1 74 ALA MB 1 76 VAL MG1 2.700 . 3.700 2.168 1.962 2.432 . 0 0 "[ . 1 .]" 1
1143 1 75 SER H 1 75 SER QB 2.700 . 3.500 2.344 2.254 2.802 . 0 0 "[ . 1 .]" 1
1144 1 75 SER H 1 76 VAL H 3.200 . 4.500 4.233 4.110 4.443 . 0 0 "[ . 1 .]" 1
1145 1 75 SER H 1 76 VAL MG1 3.200 . 4.500 4.183 3.869 4.405 . 0 0 "[ . 1 .]" 1
1146 1 75 SER HA 1 75 SER QB 4.000 . 6.000 2.382 2.166 2.447 . 0 0 "[ . 1 .]" 1
1147 1 75 SER HA 1 76 VAL H 2.200 . 2.700 2.181 2.151 2.201 . 0 0 "[ . 1 .]" 1
1148 1 75 SER QB 1 76 VAL H . . 2.700 3.922 3.642 3.979 1.279 1 15 [+************-*] 1
1149 1 76 VAL H 1 76 VAL HB 3.500 . 3.500 3.727 3.658 3.847 0.347 15 0 "[ . 1 .]" 1
1150 1 76 VAL H 1 76 VAL MG1 . . 2.700 2.459 2.332 2.685 . 0 0 "[ . 1 .]" 1
1151 1 76 VAL H 1 76 VAL MG2 . . 3.500 2.148 1.981 2.343 0.019 7 0 "[ . 1 .]" 1
1152 1 76 VAL H 1 77 LYS H 2.500 . 3.500 4.531 4.470 4.566 1.066 7 15 [******+*******-] 1
1153 1 76 VAL H 1 77 LYS QG 3.700 . 6.000 6.065 5.250 7.052 1.052 14 3 "[ .* 1- +.]" 1
1154 1 76 VAL HA 1 76 VAL MG1 3.500 . 4.800 2.433 2.361 2.537 . 0 0 "[ . 1 .]" 1
1155 1 76 VAL HA 1 76 VAL MG2 3.500 . 4.800 3.206 3.195 3.217 . 0 0 "[ . 1 .]" 1
1156 1 76 VAL HA 1 77 LYS H 2.700 . 3.700 2.281 2.196 2.363 . 0 0 "[ . 1 .]" 1
1157 1 76 VAL HB 1 76 VAL MG2 2.200 . 2.700 2.120 2.110 2.126 . 0 0 "[ . 1 .]" 1
1158 1 76 VAL HB 1 77 LYS H 4.000 . 4.500 2.697 2.447 2.957 . 0 0 "[ . 1 .]" 1
1159 1 76 VAL MG1 1 77 LYS H 4.000 . 4.500 3.833 3.651 4.028 . 0 0 "[ . 1 .]" 1
1160 1 76 VAL MG1 1 78 GLY H 3.200 . 4.500 4.305 3.862 4.692 0.192 10 0 "[ . 1 .]" 1
1161 1 76 VAL MG1 1 79 ILE MD 4.000 . 6.000 3.449 3.033 3.714 . 0 0 "[ . 1 .]" 1
1162 1 76 VAL MG1 1 79 ILE MG 4.000 . 6.000 3.347 2.862 3.877 . 0 0 "[ . 1 .]" 1
1163 1 76 VAL MG2 1 77 LYS H 3.500 . 3.500 3.527 3.362 3.663 0.163 4 0 "[ . 1 .]" 1
1164 1 76 VAL MG2 1 78 GLY H 2.500 . 3.500 2.595 1.979 3.148 . 0 0 "[ . 1 .]" 1
1165 1 76 VAL MG2 1 79 ILE H 3.200 . 4.500 3.953 2.944 4.759 0.259 14 0 "[ . 1 .]" 1
1166 1 76 VAL MG2 1 79 ILE HB 3.500 . 4.800 3.342 2.784 3.783 . 0 0 "[ . 1 .]" 1
1167 1 76 VAL MG2 1 79 ILE MD 4.000 . 6.000 3.803 3.070 4.178 . 0 0 "[ . 1 .]" 1
1168 1 77 LYS H 1 77 LYS HA . . 2.700 2.925 2.874 2.946 0.246 10 0 "[ . 1 .]" 1
1169 1 77 LYS H 1 77 LYS QB 3.500 . 3.500 2.659 2.284 3.106 . 0 0 "[ . 1 .]" 1
1170 1 77 LYS H 1 77 LYS QD . . 3.500 2.577 1.421 3.707 0.579 6 1 "[ .+ 1 .]" 1
1171 1 77 LYS H 1 77 LYS QE 3.700 . 6.000 3.896 2.182 4.715 . 0 0 "[ . 1 .]" 1
1172 1 77 LYS H 1 77 LYS QG 3.500 . 3.500 2.786 1.774 3.734 0.234 5 0 "[ . 1 .]" 1
1173 1 77 LYS H 1 78 GLY H . . 2.700 2.508 2.063 2.958 0.258 8 0 "[ . 1 .]" 1
1174 1 77 LYS HA 1 77 LYS QG 4.000 . 6.000 3.025 2.422 3.507 . 0 0 "[ . 1 .]" 1
1175 1 77 LYS HA 1 78 GLY H 3.500 . 3.500 3.043 2.627 3.419 . 0 0 "[ . 1 .]" 1
1176 1 77 LYS QB 1 77 LYS QG 2.700 . 3.700 2.027 1.984 2.087 0.016 10 0 "[ . 1 .]" 1
1177 1 77 LYS QB 1 78 GLY H 3.500 . 3.500 3.731 2.885 4.034 0.534 15 3 "[ . - 1* +]" 1
1178 1 77 LYS QD 1 77 LYS QG 4.000 . 6.000 2.062 2.002 2.093 . 0 0 "[ . 1 .]" 1
1179 1 77 LYS QD 1 78 GLY H 3.200 . 4.500 4.131 2.756 5.598 1.098 8 1 "[ . + 1 .]" 1
1180 1 77 LYS QG 1 78 GLY H 4.000 . 4.500 4.013 2.426 4.872 0.372 5 0 "[ . 1 .]" 1
1181 1 78 GLY H 1 79 ILE H . . 3.500 3.790 2.924 4.292 0.792 9 7 "[ * .***+1* -.]" 1
1182 1 78 GLY H 1 79 ILE HB 3.700 . 6.000 4.313 3.966 4.954 . 0 0 "[ . 1 .]" 1
1183 1 78 GLY H 1 79 ILE MG 3.700 . 6.000 3.895 3.092 4.455 . 0 0 "[ . 1 .]" 1
1184 1 78 GLY QA 1 79 ILE H 3.500 . 3.500 2.171 2.118 2.291 . 0 0 "[ . 1 .]" 1
1185 1 79 ILE H 1 79 ILE HB . . 3.500 3.369 3.003 3.684 0.184 9 0 "[ . 1 .]" 1
1186 1 79 ILE H 1 79 ILE MD 4.000 . 6.000 4.770 4.458 5.032 . 0 0 "[ . 1 .]" 1
1187 1 79 ILE H 1 79 ILE QG 4.000 . 4.500 4.075 3.946 4.191 . 0 0 "[ . 1 .]" 1
1188 1 79 ILE H 1 79 ILE MG 3.500 . 3.500 2.352 1.926 2.737 . 0 0 "[ . 1 .]" 1
1189 1 79 ILE H 1 80 LYS H 3.200 . 4.500 4.279 3.926 4.476 . 0 0 "[ . 1 .]" 1
1190 1 79 ILE H 1 104 VAL MG1 3.700 . 6.000 4.658 3.956 5.389 . 0 0 "[ . 1 .]" 1
1191 1 79 ILE HA 1 79 ILE MD 4.000 . 6.000 3.826 3.762 3.869 . 0 0 "[ . 1 .]" 1
1192 1 79 ILE HA 1 79 ILE QG 3.500 . 4.800 2.480 2.387 2.592 . 0 0 "[ . 1 .]" 1
1193 1 79 ILE HA 1 79 ILE MG 4.000 . 6.000 3.197 3.178 3.217 . 0 0 "[ . 1 .]" 1
1194 1 79 ILE HA 1 80 LYS H 2.700 . 3.500 2.189 2.022 2.348 . 0 0 "[ . 1 .]" 1
1195 1 79 ILE HB 1 79 ILE MD 3.500 . 4.800 2.413 2.267 2.533 . 0 0 "[ . 1 .]" 1
1196 1 79 ILE HB 1 79 ILE QG 4.000 . 6.000 2.350 2.294 2.394 . 0 0 "[ . 1 .]" 1
1197 1 79 ILE HB 1 80 LYS H 3.500 . 3.500 3.885 3.815 3.956 0.456 10 0 "[ . 1 .]" 1
1198 1 79 ILE MD 1 79 ILE MG 3.500 . 4.800 1.847 1.665 2.007 0.135 1 0 "[ . 1 .]" 1
1199 1 79 ILE MD 1 80 LYS H 4.000 . 6.000 3.953 3.650 4.349 . 0 0 "[ . 1 .]" 1
1200 1 79 ILE MD 1 81 GLU H 4.000 . 6.000 4.152 3.739 4.364 . 0 0 "[ . 1 .]" 1
1201 1 79 ILE MD 1 82 PHE HB2 4.000 . 6.000 3.627 2.350 4.265 . 0 0 "[ . 1 .]" 1
1202 1 79 ILE MD 1 82 PHE HB3 4.000 . 6.000 2.461 1.836 3.070 0.164 9 0 "[ . 1 .]" 1
1203 1 79 ILE MD 1 104 VAL MG1 4.000 . 6.000 3.108 2.748 3.331 . 0 0 "[ . 1 .]" 1
1204 1 79 ILE MD 1 104 VAL MG2 2.700 . 3.700 1.957 1.750 2.238 . 0 0 "[ . 1 .]" 1
1205 1 79 ILE QG 1 79 ILE MG 3.500 . 4.800 2.352 2.290 2.424 . 0 0 "[ . 1 .]" 1
1206 1 79 ILE QG 1 80 LYS H . . 3.500 2.263 1.926 2.670 0.074 11 0 "[ . 1 .]" 1
1207 1 79 ILE QG 1 81 GLU H . . 2.700 2.860 2.587 3.032 0.332 9 0 "[ . 1 .]" 1
1208 1 79 ILE QG 1 104 VAL MG2 3.500 . 4.800 1.835 1.385 2.795 0.415 3 0 "[ . 1 .]" 1
1209 1 79 ILE MG 1 80 LYS H 4.000 . 6.000 3.843 3.432 4.184 . 0 0 "[ . 1 .]" 1
1210 1 79 ILE MG 1 81 GLU H 4.000 . 6.000 4.970 4.695 5.294 . 0 0 "[ . 1 .]" 1
1211 1 79 ILE MG 1 104 VAL HB 4.000 . 6.000 3.007 2.320 3.486 . 0 0 "[ . 1 .]" 1
1212 1 79 ILE MG 1 104 VAL MG1 3.500 . 4.800 2.143 1.770 2.638 0.030 3 0 "[ . 1 .]" 1
1213 1 79 ILE MG 1 104 VAL MG2 3.500 . 4.800 2.445 2.002 2.975 . 0 0 "[ . 1 .]" 1
1214 1 80 LYS H 1 80 LYS QB 3.500 . 3.500 2.522 2.255 2.701 . 0 0 "[ . 1 .]" 1
1215 1 80 LYS H 1 80 LYS QD 4.000 . 4.500 4.209 3.569 4.792 0.292 1 0 "[ . 1 .]" 1
1216 1 80 LYS H 1 80 LYS QG 4.000 . 4.500 3.492 2.633 4.235 . 0 0 "[ . 1 .]" 1
1217 1 80 LYS H 1 81 GLU H 2.700 . 3.500 2.084 1.852 2.451 . 0 0 "[ . 1 .]" 1
1218 1 80 LYS HA 1 80 LYS QG 3.500 . 4.800 2.886 2.373 3.064 . 0 0 "[ . 1 .]" 1
1219 1 80 LYS HA 1 81 GLU H . . 3.500 3.535 3.505 3.573 0.073 9 0 "[ . 1 .]" 1
1220 1 80 LYS QB 1 81 GLU H . . 2.700 2.426 2.116 2.667 . 0 0 "[ . 1 .]" 1
1221 1 80 LYS QG 1 81 GLU H 2.500 . 3.500 3.824 3.394 4.135 0.635 10 5 "[ * *. * + - .]" 1
1222 1 81 GLU H 1 81 GLU QB . . 2.700 2.991 2.766 3.151 0.451 7 0 "[ . 1 .]" 1
1223 1 81 GLU H 1 81 GLU QG . . 2.700 2.689 2.475 2.897 0.197 2 0 "[ . 1 .]" 1
1224 1 81 GLU H 1 82 PHE H 3.700 . 4.500 4.431 4.392 4.497 . 0 0 "[ . 1 .]" 1
1225 1 81 GLU H 1 82 PHE QD 3.200 . 4.500 4.767 3.899 6.278 1.778 9 4 "[ * . -*+1 .]" 1
1226 1 81 GLU H 1 103 GLN HA 4.000 . 6.000 5.036 4.271 5.793 . 0 0 "[ . 1 .]" 1
1227 1 81 GLU H 1 104 VAL MG2 3.200 . 4.500 3.745 3.289 4.397 . 0 0 "[ . 1 .]" 1
1228 1 81 GLU HA 1 81 GLU QG 3.500 . 4.800 3.115 2.564 3.352 . 0 0 "[ . 1 .]" 1
1229 1 81 GLU HA 1 82 PHE H 2.700 . 3.500 2.543 2.412 2.691 . 0 0 "[ . 1 .]" 1
1230 1 81 GLU HA 1 102 TYR H 4.000 . 4.500 4.592 4.140 5.206 0.706 12 1 "[ . 1 + .]" 1
1231 1 81 GLU HA 1 103 GLN HA 3.500 . 4.800 2.596 2.065 3.602 . 0 0 "[ . 1 .]" 1
1232 1 81 GLU HA 1 104 VAL H 3.500 . 3.500 2.860 2.501 3.215 . 0 0 "[ . 1 .]" 1
1233 1 81 GLU HA 1 104 VAL MG2 4.000 . 6.000 2.726 2.120 3.412 . 0 0 "[ . 1 .]" 1
1234 1 81 GLU QB 1 82 PHE H . . 3.500 2.527 2.318 2.787 . 0 0 "[ . 1 .]" 1
1235 1 81 GLU QB 1 102 TYR H 4.000 . 6.000 4.131 3.594 5.196 . 0 0 "[ . 1 .]" 1
1236 1 81 GLU QB 1 104 VAL H 2.500 . 3.500 4.269 3.569 4.856 1.356 15 9 "[*** . *-*** +]" 1
1237 1 81 GLU QG 1 82 PHE H 2.500 . 3.500 3.889 3.161 4.664 1.164 12 8 "[*- . ***+* *]" 1
1238 1 82 PHE H 1 82 PHE HB2 4.000 . 4.500 4.065 3.776 4.114 . 0 0 "[ . 1 .]" 1
1239 1 82 PHE H 1 82 PHE HB3 4.000 . 4.500 3.448 3.084 3.581 . 0 0 "[ . 1 .]" 1
1240 1 82 PHE H 1 82 PHE QD 3.200 . 4.500 3.060 2.155 3.734 . 0 0 "[ . 1 .]" 1
1241 1 82 PHE H 1 83 TYR H 3.200 . 4.500 4.361 4.300 4.473 . 0 0 "[ . 1 .]" 1
1242 1 82 PHE H 1 101 ASN H 3.700 . 6.000 5.990 5.886 6.316 0.316 8 0 "[ . 1 .]" 1
1243 1 82 PHE H 1 101 ASN HA 2.700 . 3.700 3.832 3.742 3.945 0.245 8 0 "[ . 1 .]" 1
1244 1 82 PHE H 1 101 ASN QB 3.500 . 3.500 2.673 2.105 3.614 0.114 8 0 "[ . 1 .]" 1
1245 1 82 PHE H 1 102 TYR H 3.500 . 3.500 2.615 2.024 3.397 . 0 0 "[ . 1 .]" 1
1246 1 82 PHE H 1 102 TYR HA 2.500 . 3.500 4.389 2.014 4.769 1.269 2 14 "[*+*-*** *******]" 1
1247 1 82 PHE H 1 102 TYR HB3 4.000 . 4.500 4.718 4.399 5.404 0.904 12 2 "[ - . 1 + .]" 1
1248 1 82 PHE H 1 102 TYR QE 3.700 . 6.000 6.108 5.063 6.589 0.589 5 3 "[- + 1* .]" 1
1249 1 82 PHE H 1 103 GLN HA 4.000 . 6.000 4.343 3.919 5.199 . 0 0 "[ . 1 .]" 1
1250 1 82 PHE H 1 104 VAL H 3.700 . 6.000 5.055 4.758 5.464 . 0 0 "[ . 1 .]" 1
1251 1 82 PHE H 1 104 VAL MG2 4.000 . 4.500 4.084 3.470 4.487 . 0 0 "[ . 1 .]" 1
1252 1 82 PHE HA 1 82 PHE QD 4.000 . 6.000 3.687 3.395 3.754 . 0 0 "[ . 1 .]" 1
1253 1 82 PHE HA 1 83 TYR H 2.700 . 2.700 2.397 2.275 2.486 . 0 0 "[ . 1 .]" 1
1254 1 82 PHE HA 1 83 TYR QD 4.000 . 6.000 4.013 3.239 4.571 . 0 0 "[ . 1 .]" 1
1255 1 82 PHE HB2 1 82 PHE QE 3.500 . 4.800 4.380 4.348 4.446 . 0 0 "[ . 1 .]" 1
1256 1 82 PHE HB2 1 83 TYR H 3.500 . 3.500 2.301 1.969 3.254 . 0 0 "[ . 1 .]" 1
1257 1 82 PHE HB3 1 82 PHE QD 4.000 . 6.000 2.457 2.336 2.725 . 0 0 "[ . 1 .]" 1
1258 1 82 PHE HB3 1 83 TYR H 3.500 . 3.500 3.668 3.471 4.165 0.665 9 1 "[ . +1 .]" 1
1259 1 82 PHE QD 1 83 TYR H . . 3.500 3.029 2.662 3.916 0.416 8 0 "[ . 1 .]" 1
1260 1 82 PHE QD 1 102 TYR H 3.700 . 6.000 3.978 1.653 4.447 0.347 8 0 "[ . 1 .]" 1
1261 1 82 PHE QD 1 102 TYR HB2 4.000 . 6.000 3.137 1.982 4.984 0.018 9 0 "[ . 1 .]" 1
1262 1 82 PHE QD 1 102 TYR QE 3.500 . 4.800 4.576 3.413 4.829 0.029 8 0 "[ . 1 .]" 1
1263 1 82 PHE QE 1 102 TYR H 2.000 . 2.700 4.691 2.817 5.126 2.426 9 14 "[*-***** +******]" 1
1264 1 82 PHE QE 1 102 TYR HB2 3.500 . 4.800 3.028 2.020 4.938 0.138 8 0 "[ . 1 .]" 1
1265 1 83 TYR H 1 83 TYR HA . . 2.700 2.853 2.827 2.884 0.184 14 0 "[ . 1 .]" 1
1266 1 83 TYR H 1 83 TYR QB 4.000 . 4.500 3.296 3.079 3.409 . 0 0 "[ . 1 .]" 1
1267 1 83 TYR H 1 83 TYR QD 3.500 . 4.500 2.619 1.949 3.290 . 0 0 "[ . 1 .]" 1
1268 1 83 TYR H 1 83 TYR QE 4.000 . 6.000 4.384 4.178 4.705 . 0 0 "[ . 1 .]" 1
1269 1 83 TYR H 1 84 ILE H 3.200 . 4.500 4.285 4.192 4.361 . 0 0 "[ . 1 .]" 1
1270 1 83 TYR HA 1 83 TYR QD 3.500 . 4.800 3.684 3.608 3.725 . 0 0 "[ . 1 .]" 1
1271 1 83 TYR HA 1 84 ILE H 2.700 . 3.500 2.360 2.245 2.520 . 0 0 "[ . 1 .]" 1
1272 1 83 TYR HA 1 102 TYR H 4.000 . 6.000 3.975 3.767 4.310 . 0 0 "[ . 1 .]" 1
1273 1 83 TYR QB 1 83 TYR QE 4.000 . 6.000 3.946 3.931 3.965 . 0 0 "[ . 1 .]" 1
1274 1 83 TYR QB 1 84 ILE H 3.500 . 3.500 2.701 2.417 3.001 . 0 0 "[ . 1 .]" 1
1275 1 83 TYR QB 1 96 ASN HA 3.500 . 4.800 2.448 1.969 2.893 . 0 0 "[ . 1 .]" 1
1276 1 83 TYR QB 1 96 ASN QB 3.500 . 4.800 1.937 1.412 2.454 0.388 14 0 "[ . 1 .]" 1
1277 1 83 TYR QB 1 102 TYR H 3.200 . 4.500 3.838 3.266 4.386 . 0 0 "[ . 1 .]" 1
1278 1 83 TYR QD 1 84 ILE H 3.500 . 3.500 4.038 3.520 4.412 0.912 5 9 "[****+ * 1* *-]" 1
1279 1 83 TYR QD 1 95 ASP H 3.700 . 6.000 4.813 3.506 5.716 . 0 0 "[ . 1 .]" 1
1280 1 83 TYR QD 1 96 ASN HA 4.000 . 6.000 4.155 3.523 4.849 . 0 0 "[ . 1 .]" 1
1281 1 83 TYR QD 1 96 ASN QB 4.000 . 6.000 2.522 1.494 3.561 0.506 2 1 "[ + . 1 .]" 1
1282 1 83 TYR QE 1 85 LYS QG 3.500 . 4.800 3.920 3.321 4.671 . 0 0 "[ . 1 .]" 1
1283 1 83 TYR QE 1 94 TYR QE 3.500 . 4.800 4.021 3.029 4.718 . 0 0 "[ . 1 .]" 1
1284 1 84 ILE H 1 84 ILE HA . . 2.700 2.926 2.910 2.940 0.240 12 0 "[ . 1 .]" 1
1285 1 84 ILE H 1 84 ILE HB 3.500 . 3.500 2.724 2.629 2.790 . 0 0 "[ . 1 .]" 1
1286 1 84 ILE H 1 84 ILE QG 3.500 . 4.500 2.326 2.179 2.595 . 0 0 "[ . 1 .]" 1
1287 1 84 ILE H 1 84 ILE MG 3.500 . 4.500 3.841 3.821 3.859 . 0 0 "[ . 1 .]" 1
1288 1 84 ILE H 1 85 LYS H 3.700 . 4.500 4.534 4.485 4.575 0.075 10 0 "[ . 1 .]" 1
1289 1 84 ILE H 1 85 LYS QG 4.000 . 4.500 5.258 4.823 5.706 1.206 10 12 "[ * ******+*- **]" 1
1290 1 84 ILE H 1 95 ASP HA 3.200 . 4.500 4.722 4.441 5.239 0.739 1 2 "[+ . 1 - .]" 1
1291 1 84 ILE H 1 95 ASP HB3 4.000 . 4.500 3.029 2.442 3.886 . 0 0 "[ . 1 .]" 1
1292 1 84 ILE H 1 96 ASN HA 2.500 . 3.500 3.859 3.262 4.343 0.843 5 6 "[-* + * 1 * *]" 1
1293 1 84 ILE HA 1 84 ILE MD 4.000 . 6.000 2.378 1.996 3.658 0.004 1 0 "[ . 1 .]" 1
1294 1 84 ILE HA 1 84 ILE QG 3.500 . 4.800 3.014 2.483 3.167 . 0 0 "[ . 1 .]" 1
1295 1 84 ILE HA 1 84 ILE MG 3.500 . 4.800 2.228 2.163 2.345 . 0 0 "[ . 1 .]" 1
1296 1 84 ILE HA 1 85 LYS H 2.700 . 2.700 2.211 2.143 2.353 . 0 0 "[ . 1 .]" 1
1297 1 84 ILE HB 1 85 LYS H 3.500 . 4.800 3.820 3.572 4.016 . 0 0 "[ . 1 .]" 1
1298 1 84 ILE HB 1 95 ASP H 3.500 . 4.500 3.368 2.671 4.006 . 0 0 "[ . 1 .]" 1
1299 1 84 ILE HB 1 95 ASP HB2 4.000 . 6.000 3.558 1.988 4.605 0.012 5 0 "[ . 1 .]" 1
1300 1 84 ILE HB 1 95 ASP HB3 3.500 . 4.800 2.401 1.988 3.442 . 0 0 "[ . 1 .]" 1
1301 1 84 ILE MD 1 85 LYS H 3.500 . 4.500 3.936 3.643 4.419 . 0 0 "[ . 1 .]" 1
1302 1 84 ILE MD 1 102 TYR QE 4.000 . 6.000 4.581 3.949 5.636 . 0 0 "[ . 1 .]" 1
1303 1 84 ILE QG 1 85 LYS H 4.000 . 6.000 4.573 4.106 4.728 . 0 0 "[ . 1 .]" 1
1304 1 84 ILE MG 1 85 LYS H 3.500 . 3.500 2.307 1.978 2.538 . 0 0 "[ . 1 .]" 1
1305 1 84 ILE MG 1 95 ASP H 4.000 . 6.000 4.411 4.021 4.700 . 0 0 "[ . 1 .]" 1
1306 1 85 LYS H 1 85 LYS QB . . 3.500 2.434 2.257 3.118 . 0 0 "[ . 1 .]" 1
1307 1 85 LYS H 1 85 LYS QD 3.500 . 4.500 4.373 3.937 4.575 0.075 5 0 "[ . 1 .]" 1
1308 1 85 LYS H 1 85 LYS QG 3.500 . 3.500 2.723 2.254 3.278 . 0 0 "[ . 1 .]" 1
1309 1 85 LYS H 1 86 TYR H . . 3.500 4.286 4.155 4.439 0.939 3 15 [**+-***********] 1
1310 1 85 LYS HA 1 85 LYS QB 4.000 . 6.000 2.370 2.165 2.485 . 0 0 "[ . 1 .]" 1
1311 1 85 LYS HA 1 85 LYS QD 4.000 . 6.000 3.220 2.081 4.212 . 0 0 "[ . 1 .]" 1
1312 1 85 LYS HA 1 85 LYS QG 3.500 . 4.800 2.520 2.196 3.322 . 0 0 "[ . 1 .]" 1
1313 1 85 LYS HA 1 86 TYR H 2.200 . 2.700 2.122 2.001 2.214 . 0 0 "[ . 1 .]" 1
1314 1 85 LYS HA 1 94 TYR HA 4.000 . 6.000 2.826 2.081 3.444 . 0 0 "[ . 1 .]" 1
1315 1 85 LYS HA 1 94 TYR QD 3.500 . 4.800 2.780 2.217 3.439 . 0 0 "[ . 1 .]" 1
1316 1 85 LYS QB 1 86 TYR H 4.000 . 6.000 3.200 2.518 3.602 . 0 0 "[ . 1 .]" 1
1317 1 85 LYS QD 1 86 TYR H 3.500 . 4.500 4.367 3.540 4.681 0.181 12 0 "[ . 1 .]" 1
1318 1 85 LYS QG 1 86 TYR H 3.500 . 4.800 4.227 3.731 4.637 . 0 0 "[ . 1 .]" 1
1319 1 85 LYS QG 1 94 TYR QE 3.500 . 4.800 2.954 2.165 4.177 . 0 0 "[ . 1 .]" 1
1320 1 86 TYR H 1 86 TYR HA 2.700 . 3.500 2.923 2.899 2.946 . 0 0 "[ . 1 .]" 1
1321 1 86 TYR H 1 86 TYR HB2 . . 2.700 2.829 2.634 3.083 0.383 13 0 "[ . 1 .]" 1
1322 1 86 TYR H 1 86 TYR HB3 . . 2.700 2.551 2.393 2.659 . 0 0 "[ . 1 .]" 1
1323 1 86 TYR H 1 86 TYR QD 2.500 . 3.500 4.261 4.168 4.336 0.836 13 15 [************+*-] 1
1324 1 86 TYR H 1 92 THR MG 3.500 . 4.500 3.544 3.096 3.884 . 0 0 "[ . 1 .]" 1
1325 1 86 TYR H 1 93 TYR HA 3.700 . 6.000 4.941 4.665 5.273 . 0 0 "[ . 1 .]" 1
1326 1 86 TYR H 1 93 TYR HB3 4.000 . 6.000 5.220 4.954 5.439 . 0 0 "[ . 1 .]" 1
1327 1 86 TYR HA 1 86 TYR QD 2.700 . 3.700 2.070 1.950 2.193 . 0 0 "[ . 1 .]" 1
1328 1 86 TYR HA 1 86 TYR QE 4.000 . 6.000 4.332 4.260 4.421 . 0 0 "[ . 1 .]" 1
1329 1 86 TYR HA 1 87 GLU H 2.200 . 2.700 2.174 2.140 2.253 . 0 0 "[ . 1 .]" 1
1330 1 86 TYR HB2 1 87 GLU H 3.500 . 4.800 4.483 4.440 4.550 . 0 0 "[ . 1 .]" 1
1331 1 86 TYR HB2 1 93 TYR H 4.000 . 4.500 4.284 3.961 4.630 0.130 8 0 "[ . 1 .]" 1
1332 1 86 TYR HB2 1 93 TYR HB2 4.000 . 6.000 3.470 3.198 3.747 . 0 0 "[ . 1 .]" 1
1333 1 86 TYR HB3 1 86 TYR QE 3.500 . 4.800 4.391 4.376 4.402 . 0 0 "[ . 1 .]" 1
1334 1 86 TYR HB3 1 87 GLU H 3.500 . 4.800 4.403 4.343 4.464 . 0 0 "[ . 1 .]" 1
1335 1 86 TYR QD 1 87 GLU H 2.500 . 3.500 3.141 2.987 3.287 . 0 0 "[ . 1 .]" 1
1336 1 86 TYR QD 1 88 VAL QG 3.500 . 4.800 3.242 2.759 3.689 . 0 0 "[ . 1 .]" 1
1337 1 86 TYR QD 1 93 TYR H 3.700 . 6.000 3.746 3.214 4.161 . 0 0 "[ . 1 .]" 1
1338 1 86 TYR QE 1 87 GLU H 3.500 . 4.500 4.691 4.612 4.728 0.228 4 0 "[ . 1 .]" 1
1339 1 86 TYR QE 1 88 VAL QG 3.500 . 4.800 2.739 2.325 3.303 . 0 0 "[ . 1 .]" 1
1340 1 87 GLU H 1 87 GLU HA . . 2.700 2.932 2.926 2.957 0.257 15 0 "[ . 1 .]" 1
1341 1 87 GLU H 1 87 GLU QB 3.500 . 3.500 2.433 2.376 2.502 . 0 0 "[ . 1 .]" 1
1342 1 87 GLU H 1 87 GLU QG . . 3.500 4.051 4.014 4.115 0.615 13 15 [****-*******+**] 1
1343 1 87 GLU H 1 88 VAL H 4.000 . 6.000 4.280 4.058 4.405 . 0 0 "[ . 1 .]" 1
1344 1 87 GLU H 1 88 VAL QG 3.200 . 4.500 3.921 3.695 4.278 . 0 0 "[ . 1 .]" 1
1345 1 87 GLU HA 1 87 GLU QB 3.500 . 4.800 2.435 2.367 2.526 . 0 0 "[ . 1 .]" 1
1346 1 87 GLU HA 1 87 GLU QG 3.500 . 4.800 2.303 2.192 2.671 . 0 0 "[ . 1 .]" 1
1347 1 87 GLU HA 1 88 VAL H 2.700 . 2.700 2.116 2.057 2.177 . 0 0 "[ . 1 .]" 1
1348 1 87 GLU HA 1 88 VAL QG 4.000 . 6.000 3.297 3.032 3.528 . 0 0 "[ . 1 .]" 1
1349 1 87 GLU HA 1 91 LYS H 4.000 . 4.500 5.283 3.952 5.704 1.204 15 11 "[* * -***** ** +]" 1
1350 1 87 GLU HA 1 93 TYR H . . 3.500 3.808 3.340 4.211 0.711 14 4 "[ * .- * +.]" 1
1351 1 87 GLU HA 1 93 TYR QD 4.000 . 6.000 5.292 4.766 5.802 . 0 0 "[ . 1 .]" 1
1352 1 87 GLU QB 1 87 GLU QG 2.700 . 3.700 2.067 2.009 2.085 . 0 0 "[ . 1 .]" 1
1353 1 87 GLU QB 1 88 VAL H . . 3.500 3.746 3.483 3.928 0.428 15 0 "[ . 1 .]" 1
1354 1 87 GLU QB 1 92 THR MG 4.000 . 6.000 3.301 2.450 4.219 . 0 0 "[ . 1 .]" 1
1355 1 87 GLU QG 1 88 VAL H 3.500 . 4.500 2.950 2.482 3.325 . 0 0 "[ . 1 .]" 1
1356 1 87 GLU QG 1 92 THR MG 4.000 . 6.000 2.996 1.816 4.312 0.184 5 0 "[ . 1 .]" 1
1357 1 87 GLU QG 1 93 TYR H 3.700 . 6.000 5.282 4.400 6.013 0.013 9 0 "[ . 1 .]" 1
1358 1 88 VAL H 1 88 VAL HB . . 3.500 2.792 2.566 3.511 0.011 5 0 "[ . 1 .]" 1
1359 1 88 VAL H 1 88 VAL QG . . 3.500 2.353 2.027 2.605 . 0 0 "[ . 1 .]" 1
1360 1 88 VAL H 1 89 SER H 4.000 . 4.500 4.414 4.072 4.573 0.073 2 0 "[ . 1 .]" 1
1361 1 88 VAL H 1 90 GLY H 3.700 . 4.500 4.039 3.449 4.899 0.399 10 0 "[ . 1 .]" 1
1362 1 88 VAL H 1 91 LYS H 3.500 . 3.500 3.413 2.455 3.710 0.210 12 0 "[ . 1 .]" 1
1363 1 88 VAL H 1 91 LYS QB 4.000 . 4.500 3.993 2.762 4.670 0.170 9 0 "[ . 1 .]" 1
1364 1 88 VAL H 1 91 LYS QG 3.200 . 4.500 5.508 4.415 6.171 1.671 13 12 "[*** ***-** *+ *]" 1
1365 1 88 VAL H 1 92 THR H 3.700 . 6.000 4.739 4.297 5.093 . 0 0 "[ . 1 .]" 1
1366 1 88 VAL H 1 92 THR HA . . 3.500 3.138 2.798 3.689 0.189 14 0 "[ . 1 .]" 1
1367 1 88 VAL H 1 92 THR MG 4.000 . 4.500 4.038 3.644 5.261 0.761 14 2 "[ -. 1 +.]" 1
1368 1 88 VAL H 1 93 TYR H 3.700 . 6.000 4.881 4.291 5.333 . 0 0 "[ . 1 .]" 1
1369 1 88 VAL H 1 93 TYR QD 4.000 . 4.500 5.364 4.755 5.890 1.390 5 12 "[* * +*****-** *]" 1
1370 1 88 VAL H 1 93 TYR QE 4.000 . 6.000 5.601 4.476 5.950 . 0 0 "[ . 1 .]" 1
1371 1 88 VAL HA 1 89 SER H 2.700 . 2.700 2.393 2.144 2.472 . 0 0 "[ . 1 .]" 1
1372 1 88 VAL HA 1 90 GLY H 4.000 . 4.500 4.064 3.701 4.575 0.075 10 0 "[ . 1 .]" 1
1373 1 88 VAL HB 1 89 SER H . . 3.500 3.526 2.865 4.317 0.817 4 2 "[ +. 1 -.]" 1
1374 1 88 VAL MG1 1 88 VAL MG2 2.700 . 3.700 2.078 2.040 2.105 . 0 0 "[ . 1 .]" 1
1375 1 88 VAL QG 1 89 SER H 3.500 . 3.500 2.002 1.700 2.889 0.300 8 0 "[ . 1 .]" 1
1376 1 88 VAL QG 1 89 SER HA 4.000 . 6.000 4.017 3.780 4.405 . 0 0 "[ . 1 .]" 1
1377 1 88 VAL QG 1 89 SER HB2 4.000 . 6.000 3.700 3.082 4.459 . 0 0 "[ . 1 .]" 1
1378 1 88 VAL QG 1 91 LYS H 3.500 . 4.500 2.883 1.730 3.795 0.270 5 0 "[ . 1 .]" 1
1379 1 88 VAL QG 1 91 LYS QB 3.500 . 4.800 2.609 2.074 3.049 . 0 0 "[ . 1 .]" 1
1380 1 88 VAL QG 1 93 TYR QD 3.500 . 4.800 3.238 2.825 3.877 . 0 0 "[ . 1 .]" 1
1381 1 88 VAL QG 1 93 TYR QE 3.500 . 4.800 2.799 2.224 3.422 . 0 0 "[ . 1 .]" 1
1382 1 89 SER H 1 89 SER HA 2.700 . 2.700 2.735 2.244 2.870 0.170 6 0 "[ . 1 .]" 1
1383 1 89 SER H 1 89 SER HB2 . . 2.700 2.808 2.411 3.545 0.845 12 3 "[ . *-1 + .]" 1
1384 1 89 SER H 1 89 SER HB3 . . 3.500 3.061 2.535 3.606 0.106 15 0 "[ . 1 .]" 1
1385 1 89 SER H 1 90 GLY H . . 2.700 2.894 2.565 3.125 0.425 15 0 "[ . 1 .]" 1
1386 1 89 SER H 1 91 LYS H 3.700 . 6.000 4.078 3.793 4.651 . 0 0 "[ . 1 .]" 1
1387 1 89 SER HA 1 89 SER HB3 2.700 . 3.700 2.660 2.253 3.021 . 0 0 "[ . 1 .]" 1
1388 1 89 SER HA 1 90 GLY H 2.700 . 3.500 3.124 2.736 3.560 0.060 10 0 "[ . 1 .]" 1
1389 1 89 SER HA 1 91 LYS H 3.700 . 6.000 4.699 4.451 4.902 . 0 0 "[ . 1 .]" 1
1390 1 89 SER HB2 1 90 GLY H 3.200 . 4.500 3.947 2.484 4.609 0.109 14 0 "[ . 1 .]" 1
1391 1 89 SER HB2 1 91 LYS H 4.000 . 6.000 5.543 4.509 6.497 0.497 5 0 "[ . 1 .]" 1
1392 1 89 SER HB3 1 90 GLY H 4.000 . 6.000 4.112 3.342 4.651 . 0 0 "[ . 1 .]" 1
1393 1 90 GLY H 1 90 GLY HA3 . . 2.700 2.680 2.482 2.953 0.253 14 0 "[ . 1 .]" 1
1394 1 90 GLY H 1 91 LYS H . . 2.700 2.018 1.784 2.472 0.016 1 0 "[ . 1 .]" 1
1395 1 90 GLY H 1 91 LYS QB 3.700 . 6.000 4.042 3.624 4.512 . 0 0 "[ . 1 .]" 1
1396 1 90 GLY H 1 91 LYS QG 3.700 . 6.000 5.235 4.200 6.117 0.117 4 0 "[ . 1 .]" 1
1397 1 90 GLY HA2 1 91 LYS H 3.500 . 3.500 3.433 3.071 3.576 0.076 5 0 "[ . 1 .]" 1
1398 1 90 GLY HA3 1 91 LYS H . . 3.500 3.065 2.683 3.488 . 0 0 "[ . 1 .]" 1
1399 1 91 LYS H 1 91 LYS QB 3.500 . 3.500 2.461 2.194 2.655 . 0 0 "[ . 1 .]" 1
1400 1 91 LYS H 1 91 LYS QD 3.200 . 4.500 4.207 3.242 4.701 0.201 1 0 "[ . 1 .]" 1
1401 1 91 LYS H 1 91 LYS QE 3.700 . 6.000 5.369 3.185 6.274 0.274 3 0 "[ . 1 .]" 1
1402 1 91 LYS H 1 91 LYS QG 3.500 . 3.500 3.742 3.009 4.183 0.683 11 7 "[ *. ***1+* -]" 1
1403 1 91 LYS H 1 92 THR H 3.200 . 4.500 4.430 4.345 4.547 0.047 12 0 "[ . 1 .]" 1
1404 1 91 LYS HA 1 91 LYS QG 3.500 . 4.800 2.585 2.263 3.054 . 0 0 "[ . 1 .]" 1
1405 1 91 LYS HA 1 92 THR H 2.700 . 2.700 2.426 2.277 2.562 . 0 0 "[ . 1 .]" 1
1406 1 91 LYS QB 1 91 LYS QG 2.200 . 2.700 1.993 1.946 2.016 . 0 0 "[ . 1 .]" 1
1407 1 91 LYS QB 1 92 THR H 3.500 . 3.500 2.589 1.765 3.343 0.035 6 0 "[ . 1 .]" 1
1408 1 91 LYS QB 1 93 TYR QD 4.000 . 6.000 4.065 3.719 4.804 . 0 0 "[ . 1 .]" 1
1409 1 91 LYS QB 1 93 TYR QE 4.000 . 6.000 2.877 2.473 3.680 . 0 0 "[ . 1 .]" 1
1410 1 91 LYS QG 1 92 THR H 3.500 . 3.500 2.967 1.812 3.796 0.296 6 0 "[ . 1 .]" 1
1411 1 91 LYS QG 1 93 TYR H 3.700 . 6.000 6.025 4.501 6.855 0.855 5 8 "[**- +* * **.]" 1
1412 1 91 LYS QG 1 93 TYR QE 4.000 . 6.000 3.310 2.527 3.863 . 0 0 "[ . 1 .]" 1
1413 1 92 THR H 1 92 THR HA . . 2.700 2.906 2.886 2.933 0.233 4 0 "[ . 1 .]" 1
1414 1 92 THR H 1 92 THR HB 3.500 . 3.500 3.019 2.765 3.107 . 0 0 "[ . 1 .]" 1
1415 1 92 THR H 1 92 THR MG 3.500 . 3.500 4.018 3.928 4.057 0.557 5 13 "[*** +*-* ******]" 1
1416 1 92 THR H 1 93 TYR H 4.000 . 6.000 4.259 4.189 4.335 . 0 0 "[ . 1 .]" 1
1417 1 92 THR HA 1 92 THR MG 3.500 . 4.800 2.297 2.273 2.349 . 0 0 "[ . 1 .]" 1
1418 1 92 THR HA 1 93 TYR H 2.700 . 3.500 2.173 2.055 2.228 . 0 0 "[ . 1 .]" 1
1419 1 92 THR HB 1 93 TYR H 2.700 . 3.700 3.792 3.740 3.870 0.170 4 0 "[ . 1 .]" 1
1420 1 92 THR MG 1 93 TYR H 3.500 . 3.500 2.321 2.273 2.365 . 0 0 "[ . 1 .]" 1
1421 1 92 THR MG 1 94 TYR QD 3.500 . 4.800 4.033 3.427 4.334 . 0 0 "[ . 1 .]" 1
1422 1 92 THR MG 1 94 TYR QE 3.500 . 4.800 3.557 2.957 4.222 . 0 0 "[ . 1 .]" 1
1423 1 93 TYR H 1 93 TYR HA . . 2.700 2.919 2.900 2.934 0.234 9 0 "[ . 1 .]" 1
1424 1 93 TYR H 1 93 TYR HB2 3.500 . 3.500 2.951 2.888 3.019 . 0 0 "[ . 1 .]" 1
1425 1 93 TYR H 1 93 TYR HB3 3.500 . 3.500 3.939 3.899 3.969 0.469 5 0 "[ . 1 .]" 1
1426 1 93 TYR H 1 93 TYR QD 3.500 . 3.500 3.090 2.851 3.387 . 0 0 "[ . 1 .]" 1
1427 1 93 TYR H 1 93 TYR QE 3.700 . 6.000 4.925 4.781 5.094 . 0 0 "[ . 1 .]" 1
1428 1 93 TYR H 1 94 TYR H 3.700 . 4.500 4.260 4.236 4.288 . 0 0 "[ . 1 .]" 1
1429 1 93 TYR HA 1 93 TYR QD 3.500 . 4.800 2.966 2.708 3.154 . 0 0 "[ . 1 .]" 1
1430 1 93 TYR HA 1 93 TYR QE 4.000 . 6.000 4.815 4.684 4.910 . 0 0 "[ . 1 .]" 1
1431 1 93 TYR HA 1 94 TYR H . . 2.700 2.744 2.611 2.821 0.121 6 0 "[ . 1 .]" 1
1432 1 93 TYR HB2 1 93 TYR QE 3.500 . 4.800 4.365 4.339 4.382 . 0 0 "[ . 1 .]" 1
1433 1 93 TYR HB2 1 94 TYR H 3.500 . 3.500 2.726 2.611 2.813 . 0 0 "[ . 1 .]" 1
1434 1 93 TYR HB3 1 94 TYR H 4.000 . 6.000 1.947 1.887 2.046 0.113 7 0 "[ . 1 .]" 1
1435 1 93 TYR QD 1 94 TYR H 3.500 . 4.500 3.926 3.865 4.044 . 0 0 "[ . 1 .]" 1
1436 1 94 TYR H 1 94 TYR QB 3.500 . 3.500 2.797 2.696 2.888 . 0 0 "[ . 1 .]" 1
1437 1 94 TYR H 1 94 TYR QE 3.700 . 6.000 5.497 5.211 6.287 0.287 12 0 "[ . 1 .]" 1
1438 1 94 TYR HA 1 94 TYR QB 3.500 . 4.800 2.390 2.326 2.543 . 0 0 "[ . 1 .]" 1
1439 1 94 TYR HA 1 94 TYR QD 3.500 . 4.800 2.538 2.126 2.822 . 0 0 "[ . 1 .]" 1
1440 1 94 TYR HA 1 94 TYR QE 4.000 . 6.000 4.555 4.315 4.700 . 0 0 "[ . 1 .]" 1
1441 1 94 TYR HA 1 95 ASP H 2.700 . 3.500 2.195 2.134 2.305 . 0 0 "[ . 1 .]" 1
1442 1 94 TYR QB 1 94 TYR QE 4.000 . 6.000 3.935 3.928 3.948 . 0 0 "[ . 1 .]" 1
1443 1 94 TYR QB 1 95 ASP H . . 3.500 3.018 2.583 3.494 . 0 0 "[ . 1 .]" 1
1444 1 94 TYR QB 1 96 ASN H 4.000 . 4.500 4.049 3.431 5.392 0.892 8 1 "[ . + 1 .]" 1
1445 1 94 TYR QD 1 95 ASP H 3.500 . 4.800 3.864 3.403 4.151 . 0 0 "[ . 1 .]" 1
1446 1 95 ASP H 1 95 ASP HB2 3.500 . 4.500 3.038 2.310 3.239 . 0 0 "[ . 1 .]" 1
1447 1 95 ASP H 1 95 ASP HB3 3.500 . 3.500 2.698 2.468 3.578 0.078 5 0 "[ . 1 .]" 1
1448 1 95 ASP H 1 96 ASN H 3.700 . 6.000 4.074 3.849 4.385 . 0 0 "[ . 1 .]" 1
1449 1 95 ASP HA 1 96 ASN H 2.700 . 2.700 2.172 2.104 2.319 . 0 0 "[ . 1 .]" 1
1450 1 95 ASP HA 1 97 ASN H . . 3.500 4.033 3.390 5.297 1.797 9 7 "[* - ** +1* * .]" 1
1451 1 95 ASP HA 1 98 ASN H 3.700 . 6.000 6.270 5.480 7.048 1.048 5 6 "[*- +* * 1 *]" 1
1452 1 95 ASP HB2 1 96 ASN H 3.500 . 4.500 4.402 4.014 4.522 0.022 10 0 "[ . 1 .]" 1
1453 1 95 ASP HB3 1 96 ASN H 3.500 . 4.800 4.345 3.927 4.467 . 0 0 "[ . 1 .]" 1
1454 1 96 ASN H 1 96 ASN QB 3.500 . 4.500 2.956 2.449 3.275 . 0 0 "[ . 1 .]" 1
1455 1 96 ASN H 1 96 ASN QD 3.200 . 4.500 4.230 2.646 5.078 0.578 6 1 "[ .+ 1 .]" 1
1456 1 96 ASN H 1 97 ASN H 3.500 . 3.500 2.455 1.795 3.325 0.005 14 0 "[ . 1 .]" 1
1457 1 96 ASN H 1 97 ASN HA 4.000 . 4.500 4.356 3.971 4.989 0.489 1 0 "[ . 1 .]" 1
1458 1 96 ASN H 1 98 ASN H 3.500 . 4.500 4.265 3.479 4.855 0.355 8 0 "[ . 1 .]" 1
1459 1 96 ASN H 1 98 ASN HA 3.700 . 6.000 5.031 4.298 5.733 . 0 0 "[ . 1 .]" 1
1460 1 96 ASN H 1 99 SER H 3.700 . 6.000 6.203 4.163 7.453 1.453 8 5 "[ *** + 1 -]" 1
1461 1 96 ASN HA 1 96 ASN QB 3.500 . 4.800 2.232 2.167 2.405 . 0 0 "[ . 1 .]" 1
1462 1 96 ASN HA 1 97 ASN H 2.500 . 3.500 3.070 2.280 3.540 0.040 11 0 "[ . 1 .]" 1
1463 1 96 ASN HA 1 101 ASN H 3.700 . 6.000 4.448 3.646 5.730 . 0 0 "[ . 1 .]" 1
1464 1 96 ASN QB 1 96 ASN QD 3.500 . 4.500 2.178 2.110 2.649 . 0 0 "[ . 1 .]" 1
1465 1 96 ASN QB 1 97 ASN H 3.200 . 4.500 3.474 1.991 4.058 0.009 5 0 "[ . 1 .]" 1
1466 1 96 ASN QB 1 98 ASN H 4.000 . 6.000 3.780 2.980 4.198 . 0 0 "[ . 1 .]" 1
1467 1 96 ASN QB 1 99 SER H 3.700 . 6.000 4.944 3.229 6.198 0.198 8 0 "[ . 1 .]" 1
1468 1 96 ASN QB 1 100 ALA H 3.700 . 6.000 3.739 2.813 5.510 . 0 0 "[ . 1 .]" 1
1469 1 96 ASN QB 1 101 ASN H 4.000 . 4.500 3.604 2.566 5.497 0.997 1 1 "[+ . 1 .]" 1
1470 1 96 ASN QD 1 97 ASN H 3.200 . 4.500 4.725 3.333 5.703 1.203 13 7 "[*** . * * -+ .]" 1
1471 1 96 ASN QD 1 99 SER H 4.000 . 6.000 4.230 3.236 5.131 . 0 0 "[ . 1 .]" 1
1472 1 96 ASN QD 1 99 SER HA 4.000 . 4.500 2.730 1.998 4.240 0.002 3 0 "[ . 1 .]" 1
1473 1 96 ASN QD 1 101 ASN H 3.200 . 4.500 4.002 2.388 5.808 1.308 11 2 "[ - . 1+ .]" 1
1474 1 97 ASN H 1 97 ASN HA 2.700 . 3.500 2.440 2.236 2.956 . 0 0 "[ . 1 .]" 1
1475 1 97 ASN H 1 97 ASN QB . . 3.500 3.145 2.545 3.444 . 0 0 "[ . 1 .]" 1
1476 1 97 ASN H 1 97 ASN QD 3.200 . 4.500 4.567 2.971 5.338 0.838 3 2 "[- + . 1 .]" 1
1477 1 97 ASN H 1 98 ASN H . . 3.500 3.116 1.993 3.902 0.402 8 0 "[ . 1 .]" 1
1478 1 97 ASN H 1 99 SER H 3.700 . 6.000 5.253 3.816 6.391 0.391 8 0 "[ . 1 .]" 1
1479 1 97 ASN HA 1 98 ASN H 3.500 . 3.500 3.511 3.457 3.558 0.058 1 0 "[ . 1 .]" 1
1480 1 97 ASN HA 1 101 ASN H 2.500 . 3.500 5.618 5.207 6.038 2.538 15 15 [********-*****+] 1
1481 1 97 ASN QB 1 97 ASN QD 3.500 . 3.500 2.112 2.055 2.246 . 0 0 "[ . 1 .]" 1
1482 1 97 ASN QB 1 98 ASN H 3.200 . 4.500 2.542 1.895 3.454 . 0 0 "[ . 1 .]" 1
1483 1 97 ASN QB 1 100 ALA H 3.500 . 4.500 3.299 2.373 4.324 . 0 0 "[ . 1 .]" 1
1484 1 97 ASN QB 1 101 ASN H 3.500 . 3.500 3.138 2.438 3.619 0.119 1 0 "[ . 1 .]" 1
1485 1 97 ASN QD 1 100 ALA MB . . 2.700 2.489 1.585 2.953 0.253 6 0 "[ . 1 .]" 1
1486 1 97 ASN QD 1 101 ASN H 3.200 . 4.500 3.606 2.147 4.784 0.284 10 0 "[ . 1 .]" 1
1487 1 97 ASN QD 1 101 ASN HA 4.000 . 6.000 4.997 3.430 5.856 . 0 0 "[ . 1 .]" 1
1488 1 98 ASN H 1 98 ASN HA 2.700 . 2.700 2.784 2.706 2.869 0.169 15 0 "[ . 1 .]" 1
1489 1 98 ASN H 1 98 ASN QB 3.500 . 3.500 3.034 2.824 3.383 . 0 0 "[ . 1 .]" 1
1490 1 98 ASN H 1 99 SER H 3.500 . 3.500 2.276 1.978 2.762 . 0 0 "[ . 1 .]" 1
1491 1 98 ASN H 1 99 SER HA 2.700 . 3.700 3.720 3.542 3.853 0.153 8 0 "[ . 1 .]" 1
1492 1 98 ASN H 1 100 ALA H 3.200 . 4.500 2.679 2.221 3.294 . 0 0 "[ . 1 .]" 1
1493 1 98 ASN HA 1 99 SER H 3.500 . 3.500 3.478 2.670 3.584 0.084 4 0 "[ . 1 .]" 1
1494 1 98 ASN QB 1 98 ASN HD21 3.500 . 4.500 2.298 2.129 2.817 . 0 0 "[ . 1 .]" 1
1495 1 98 ASN QB 1 99 SER H 4.000 . 4.500 2.371 2.030 4.021 . 0 0 "[ . 1 .]" 1
1496 1 98 ASN QB 1 100 ALA H 3.200 . 4.500 4.324 3.740 5.091 0.591 14 1 "[ . 1 +.]" 1
1497 1 99 SER H 1 99 SER HB2 4.000 . 4.500 3.419 2.834 4.034 . 0 0 "[ . 1 .]" 1
1498 1 99 SER H 1 99 SER HB3 . . 3.500 3.602 3.169 3.971 0.471 3 0 "[ . 1 .]" 1
1499 1 99 SER H 1 100 ALA MB 3.700 . 6.000 3.273 2.962 4.104 . 0 0 "[ . 1 .]" 1
1500 1 99 SER H 1 101 ASN H 3.200 . 4.500 4.402 3.530 5.173 0.673 13 2 "[ . -1 + .]" 1
1501 1 99 SER HA 1 100 ALA H 3.500 . 3.500 2.756 2.386 3.075 . 0 0 "[ . 1 .]" 1
1502 1 99 SER HA 1 101 ASN H 4.000 . 4.500 4.750 3.813 5.974 1.474 9 5 "[* * . +1- * .]" 1
1503 1 99 SER HB2 1 100 ALA H 3.700 . 6.000 4.433 3.930 4.648 . 0 0 "[ . 1 .]" 1
1504 1 100 ALA H 1 100 ALA MB . . 2.700 2.492 2.293 2.643 . 0 0 "[ . 1 .]" 1
1505 1 100 ALA H 1 101 ASN H 3.500 . 3.500 2.393 1.800 3.334 . 0 0 "[ . 1 .]" 1
1506 1 100 ALA H 1 101 ASN HA 4.000 . 4.500 4.403 3.973 4.950 0.450 8 0 "[ . 1 .]" 1
1507 1 100 ALA HA 1 101 ASN H 3.500 . 4.800 3.514 3.406 3.589 . 0 0 "[ . 1 .]" 1
1508 1 100 ALA MB 1 101 ASN H 2.700 . 3.500 2.344 1.702 3.031 0.098 13 0 "[ . 1 .]" 1
1509 1 100 ALA MB 1 101 ASN HA 4.000 . 6.000 4.205 4.002 4.742 . 0 0 "[ . 1 .]" 1
1510 1 101 ASN H 1 101 ASN HA 2.700 . 3.500 2.511 2.274 2.929 . 0 0 "[ . 1 .]" 1
1511 1 101 ASN H 1 101 ASN QB 3.500 . 3.500 3.273 2.385 3.488 . 0 0 "[ . 1 .]" 1
1512 1 101 ASN H 1 101 ASN QD 3.200 . 4.500 4.356 2.431 4.962 0.462 7 0 "[ . 1 .]" 1
1513 1 101 ASN H 1 102 TYR H 4.000 . 4.500 4.116 3.759 4.406 . 0 0 "[ . 1 .]" 1
1514 1 101 ASN HA 1 101 ASN QD 3.500 . 4.500 3.733 1.862 4.329 0.138 8 0 "[ . 1 .]" 1
1515 1 101 ASN HA 1 102 TYR H 2.700 . 3.500 2.217 2.051 2.541 . 0 0 "[ . 1 .]" 1
1516 1 101 ASN HA 1 102 TYR QD 3.500 . 4.800 3.922 3.348 4.380 . 0 0 "[ . 1 .]" 1
1517 1 101 ASN HA 1 103 GLN QE 3.500 . 4.800 4.394 3.991 4.662 . 0 0 "[ . 1 .]" 1
1518 1 101 ASN QB 1 102 TYR H 3.500 . 3.500 2.839 1.951 3.406 . 0 0 "[ . 1 .]" 1
1519 1 101 ASN QD 1 102 TYR H 4.000 . 4.500 4.666 3.193 5.285 0.785 15 8 "[ * *-* ** *+]" 1
1520 1 102 TYR H 1 102 TYR HB2 3.500 . 3.500 2.601 2.379 3.401 . 0 0 "[ . 1 .]" 1
1521 1 102 TYR H 1 102 TYR HB3 3.500 . 3.500 3.642 3.451 4.079 0.579 8 1 "[ . + 1 .]" 1
1522 1 102 TYR H 1 103 GLN H 3.700 . 4.500 4.382 4.088 4.575 0.075 9 0 "[ . 1 .]" 1
1523 1 102 TYR HA 1 102 TYR HB2 2.700 . 3.700 3.013 2.915 3.030 . 0 0 "[ . 1 .]" 1
1524 1 102 TYR HA 1 102 TYR QD 4.000 . 6.000 2.858 2.564 3.412 . 0 0 "[ . 1 .]" 1
1525 1 102 TYR HA 1 103 GLN H 2.700 . 3.500 2.252 2.115 3.448 . 0 0 "[ . 1 .]" 1
1526 1 102 TYR HB2 1 102 TYR QD 4.000 . 6.000 2.376 2.281 2.658 . 0 0 "[ . 1 .]" 1
1527 1 102 TYR HB2 1 102 TYR QE 3.500 . 4.800 4.401 4.368 4.478 . 0 0 "[ . 1 .]" 1
1528 1 102 TYR HB2 1 103 GLN H 4.000 . 6.000 4.096 2.279 4.463 . 0 0 "[ . 1 .]" 1
1529 1 102 TYR HB3 1 102 TYR QD 4.000 . 6.000 2.444 2.337 2.544 . 0 0 "[ . 1 .]" 1
1530 1 102 TYR HB3 1 103 GLN H 4.000 . 6.000 3.402 2.148 3.961 . 0 0 "[ . 1 .]" 1
1531 1 102 TYR QD 1 103 GLN H 3.700 . 6.000 4.298 3.649 4.956 . 0 0 "[ . 1 .]" 1
1532 1 102 TYR QE 1 103 GLN H 3.700 . 6.000 6.324 5.797 6.952 0.952 12 3 "[ - . * 1 + .]" 1
1533 1 103 GLN H 1 103 GLN QB 3.500 . 3.500 2.480 2.066 3.129 . 0 0 "[ . 1 .]" 1
1534 1 103 GLN H 1 103 GLN QE 4.000 . 6.000 2.810 2.035 3.654 . 0 0 "[ . 1 .]" 1
1535 1 103 GLN H 1 103 GLN QG 3.500 . 3.500 3.179 1.984 3.956 0.456 4 0 "[ . 1 .]" 1
1536 1 103 GLN H 1 104 VAL H 3.200 . 4.500 4.410 4.250 4.518 0.018 15 0 "[ . 1 .]" 1
1537 1 103 GLN HA 1 103 GLN QE 2.500 . 3.500 2.700 2.219 3.584 0.084 8 0 "[ . 1 .]" 1
1538 1 103 GLN HA 1 103 GLN QG 3.500 . 4.800 2.862 2.249 3.513 . 0 0 "[ . 1 .]" 1
1539 1 103 GLN HA 1 104 VAL H 2.700 . 2.700 2.120 2.035 2.168 . 0 0 "[ . 1 .]" 1
1540 1 103 GLN HA 1 104 VAL MG2 4.000 . 6.000 3.455 3.101 3.728 . 0 0 "[ . 1 .]" 1
1541 1 103 GLN QB 1 103 GLN QE 2.500 . 2.700 2.663 1.701 3.365 0.665 3 7 "[**+ * * *-.]" 1
1542 1 103 GLN QB 1 104 VAL H 4.000 . 4.500 3.336 3.032 3.618 . 0 0 "[ . 1 .]" 1
1543 1 103 GLN QE 1 103 GLN QG 3.500 . 3.500 2.411 2.123 2.739 . 0 0 "[ . 1 .]" 1
1544 1 103 GLN QE 1 104 VAL H 3.700 . 6.000 4.498 4.061 5.146 . 0 0 "[ . 1 .]" 1
1545 1 103 GLN QG 1 104 VAL H 3.500 . 3.500 4.117 3.291 4.542 1.042 9 10 "[* - . **+**** *]" 1
1546 1 104 VAL H 1 104 VAL HB 3.500 . 3.500 2.601 2.428 2.776 . 0 0 "[ . 1 .]" 1
1547 1 104 VAL H 1 104 VAL MG1 3.500 . 4.500 3.792 3.746 3.839 . 0 0 "[ . 1 .]" 1
1548 1 104 VAL H 1 104 VAL MG2 3.500 . 3.500 2.106 1.967 2.265 . 0 0 "[ . 1 .]" 1
1549 1 104 VAL H 1 105 SER H . . 3.500 4.506 4.303 4.608 1.108 15 15 [************-*+] 1
1550 1 104 VAL H 1 105 SER QB 3.700 . 6.000 6.034 4.741 6.415 0.415 7 0 "[ . 1 .]" 1
1551 1 104 VAL HA 1 104 VAL MG1 3.500 . 4.800 2.325 2.143 2.439 . 0 0 "[ . 1 .]" 1
1552 1 104 VAL HA 1 104 VAL MG2 4.000 . 6.000 2.497 2.364 2.625 . 0 0 "[ . 1 .]" 1
1553 1 104 VAL HA 1 105 SER H 2.200 . 2.700 2.210 2.124 2.330 . 0 0 "[ . 1 .]" 1
1554 1 104 VAL HB 1 105 SER H . . 3.500 3.949 3.624 4.324 0.824 8 6 "[-** . + 1* * .]" 1
1555 1 104 VAL MG1 1 104 VAL MG2 2.700 . 3.700 2.092 2.051 2.105 . 0 0 "[ . 1 .]" 1
1556 1 104 VAL MG1 1 105 SER H 3.500 . 3.500 2.452 2.024 3.055 . 0 0 "[ . 1 .]" 1
1557 1 104 VAL MG1 1 106 THR H 3.200 . 4.500 3.672 2.528 4.817 0.317 10 0 "[ . 1 .]" 1
1558 1 104 VAL MG2 1 105 SER H 3.500 . 4.500 4.071 3.930 4.266 . 0 0 "[ . 1 .]" 1
1559 1 105 SER H 1 105 SER HA . . 2.700 2.887 2.830 2.921 0.221 6 0 "[ . 1 .]" 1
1560 1 105 SER H 1 105 SER QB 2.700 . 3.500 2.513 2.262 2.814 . 0 0 "[ . 1 .]" 1
1561 1 105 SER H 1 106 THR H 3.200 . 4.500 3.935 3.455 4.340 . 0 0 "[ . 1 .]" 1
1562 1 105 SER HA 1 106 THR H 2.200 . 2.700 2.335 2.146 2.596 . 0 0 "[ . 1 .]" 1
1563 1 105 SER QB 1 106 THR H . . 3.500 3.827 3.449 4.035 0.535 15 2 "[ - 1 +]" 1
1564 1 106 THR H 1 106 THR HB 3.500 . 4.500 3.293 2.696 3.629 . 0 0 "[ . 1 .]" 1
1565 1 106 THR H 1 106 THR MG 4.000 . 4.500 3.221 2.367 3.979 . 0 0 "[ . 1 .]" 1
1566 1 106 THR HA 1 106 THR MG 4.000 . 6.000 2.365 2.149 3.225 . 0 0 "[ . 1 .]" 1
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