NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454136 |
2ytx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ytx
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 928
_Distance_constraint_stats_list.Viol_count 1318
_Distance_constraint_stats_list.Viol_total 10785.287
_Distance_constraint_stats_list.Viol_max 4.763
_Distance_constraint_stats_list.Viol_rms 0.2010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0291
_Distance_constraint_stats_list.Viol_average_violations_only 0.4092
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 1.388 0.270 1 0 "[ . 1 . 2]"
1 10 MET 1.450 0.270 1 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LYS 0.765 0.171 20 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.587 0.235 17 0 "[ . 1 . 2]"
1 18 ARG 17.810 1.347 7 11 "[* *.*+- 1** .****2]"
1 19 CYS 12.066 1.347 7 10 "[* *. +* 1** .**-*2]"
1 20 GLN 8.205 0.971 4 1 "[ +. 1 . 2]"
1 21 GLY 0.458 0.160 3 0 "[ . 1 . 2]"
1 22 VAL 0.925 0.137 17 0 "[ . 1 . 2]"
1 23 VAL 1.831 0.181 15 0 "[ . 1 . 2]"
1 24 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 5.112 0.638 12 1 "[ . 1 + . 2]"
1 26 MET 11.048 1.005 7 7 "[ - * + 1 * *. * *]"
1 27 LYS 1.751 0.416 15 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 1.751 0.416 15 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 4.827 0.638 12 1 "[ . 1 + . 2]"
1 34 GLU 16.359 1.166 12 12 "[ * **** 1 + ***** -]"
1 35 ARG 46.310 3.212 20 19 "[** ************-***+]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 4.747 0.595 17 1 "[ . 1 . + 2]"
1 39 VAL 0.278 0.110 15 0 "[ . 1 . 2]"
1 40 LYS 20.637 1.151 12 14 "[ * **** *-+ ***** *]"
1 41 GLU 22.463 1.166 12 12 "[ * **** 1 + ***** -]"
1 42 ILE 41.393 3.212 20 19 [****.**********-***+]
1 43 PHE 0.946 0.048 6 0 "[ . 1 . 2]"
1 44 PHE 0.943 0.105 17 0 "[ . 1 . 2]"
1 45 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TYR 4.768 0.280 14 0 "[ . 1 . 2]"
1 47 SER 2.165 0.159 12 0 "[ . 1 . 2]"
1 48 GLU 11.157 0.692 4 4 "[* +. 1 .-* 2]"
1 49 PHE 29.642 0.675 6 7 "[* *.+-* 1 *. *]"
1 50 LYS 3.971 0.263 12 0 "[ . 1 . 2]"
1 51 GLY 3.971 0.263 12 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 83.046 1.760 16 20 [******-********+****]
1 54 GLU 36.033 1.221 1 20 [+*-*****************]
1 55 THR 19.956 0.738 12 20 [***********+********]
1 56 LEU 129.495 1.760 16 20 [***********-***+****]
1 57 GLN 0.582 0.156 19 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 2.376 0.181 15 0 "[ . 1 . 2]"
1 60 ASP 0.214 0.047 11 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.092 0.054 15 0 "[ . 1 . 2]"
1 63 GLU 7.093 0.971 4 1 "[ +. 1 . 2]"
1 64 PHE 8.803 0.617 6 3 "[ .+*- 1 . 2]"
1 65 THR 9.869 0.732 17 6 "[* * . - *. + *]"
1 66 ILE 40.990 1.340 19 17 "[******** - ******+*]"
1 67 LYS 3.551 0.391 19 0 "[ . 1 . 2]"
1 68 ASP 78.227 4.763 19 20 [***-**************+*]
1 69 ARG 54.888 3.334 19 20 [****************-*+*]
1 70 ASN 0.101 0.044 7 0 "[ . 1 . 2]"
1 71 GLY 1.099 0.133 9 0 "[ . 1 . 2]"
1 72 LYS 135.335 4.763 19 20 [*-****************+*]
1 73 GLU 1.438 0.391 16 0 "[ . 1 . 2]"
1 74 VAL 22.886 1.340 19 16 "[*-****** * ******+2]"
1 75 ALA 2.762 0.293 8 0 "[ . 1 . 2]"
1 76 THR 8.981 0.692 4 5 "[* +. 1 *.-* 2]"
1 77 ASP 1.665 0.106 7 0 "[ . 1 . 2]"
1 78 VAL 11.690 0.427 14 0 "[ . 1 . 2]"
1 79 ARG 17.387 1.494 10 11 "[ ***.* * + * *.- * *]"
1 80 LEU 42.001 1.494 10 20 [**-******+**********]
1 81 LEU 12.856 0.541 17 2 "[ - . 1 . + 2]"
1 82 PRO 4.070 0.209 7 0 "[ . 1 . 2]"
1 83 GLN 1.608 0.209 7 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 9.827 0.820 1 5 "[+ * . - *1 . *2]"
1 86 VAL 9.827 0.820 1 5 "[+ * . - *1 . *2]"
1 87 ILE 9.603 0.360 17 0 "[ . 1 . 2]"
1 88 PHE 5.347 0.301 14 0 "[ . 1 . 2]"
1 89 GLU 0.009 0.009 18 0 "[ . 1 . 2]"
1 90 ASP 0.414 0.114 17 0 "[ . 1 . 2]"
1 91 ILE 1.010 0.114 17 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY H 1 8 ASN H . . 4.880 3.643 2.370 4.614 . 0 0 "[ . 1 . 2]" 1
2 1 8 ASN H 1 8 ASN QD . . 4.830 3.493 2.126 4.192 . 0 0 "[ . 1 . 2]" 1
3 1 9 ILE H 1 10 MET H . . 4.390 3.654 1.986 4.326 . 0 0 "[ . 1 . 2]" 1
4 1 9 ILE HA 1 9 ILE MD . . 3.750 2.959 1.954 3.425 . 0 0 "[ . 1 . 2]" 1
5 1 9 ILE HA 1 10 MET H . . 3.450 2.613 2.205 3.460 0.010 7 0 "[ . 1 . 2]" 1
6 1 9 ILE MD 1 9 ILE MG . . 3.400 2.044 1.807 3.251 . 0 0 "[ . 1 . 2]" 1
7 1 9 ILE MD 1 10 MET H . . 3.940 2.745 1.836 3.502 . 0 0 "[ . 1 . 2]" 1
8 1 9 ILE MD 1 10 MET HA . . 4.300 3.639 3.151 4.358 0.058 13 0 "[ . 1 . 2]" 1
9 1 9 ILE MD 1 10 MET HB2 . . 4.150 2.567 1.866 4.143 . 0 0 "[ . 1 . 2]" 1
10 1 9 ILE MD 1 10 MET QB . . 3.600 2.427 1.808 3.247 . 0 0 "[ . 1 . 2]" 1
11 1 9 ILE MD 1 10 MET HB3 . . 4.150 3.399 2.425 4.420 0.270 1 0 "[ . 1 . 2]" 1
12 1 9 ILE MG 1 10 MET H . . 3.890 3.093 2.338 3.819 . 0 0 "[ . 1 . 2]" 1
13 1 9 ILE MG 1 10 MET HB2 . . 4.570 3.379 2.237 4.296 . 0 0 "[ . 1 . 2]" 1
14 1 9 ILE MG 1 10 MET QB . . 3.910 2.940 2.213 3.671 . 0 0 "[ . 1 . 2]" 1
15 1 9 ILE MG 1 10 MET HB3 . . 4.570 3.585 2.527 4.260 . 0 0 "[ . 1 . 2]" 1
16 1 10 MET H 1 10 MET HB2 . . 4.060 2.819 2.128 3.775 . 0 0 "[ . 1 . 2]" 1
17 1 10 MET H 1 10 MET QB . . 3.460 2.642 2.093 3.168 . 0 0 "[ . 1 . 2]" 1
18 1 10 MET H 1 10 MET HB3 . . 4.060 3.386 2.898 4.091 0.031 17 0 "[ . 1 . 2]" 1
19 1 10 MET H 1 10 MET HG2 . . 5.500 4.548 2.395 5.264 . 0 0 "[ . 1 . 2]" 1
20 1 10 MET H 1 10 MET QG . . 4.820 3.824 2.374 4.483 . 0 0 "[ . 1 . 2]" 1
21 1 10 MET H 1 10 MET HG3 . . 5.500 4.243 3.070 5.044 . 0 0 "[ . 1 . 2]" 1
22 1 10 MET QB 1 11 LEU H . . 3.880 3.115 2.178 3.504 . 0 0 "[ . 1 . 2]" 1
23 1 10 MET HB2 1 11 LEU H . . 4.490 3.958 2.284 4.253 . 0 0 "[ . 1 . 2]" 1
24 1 10 MET HB3 1 11 LEU H . . 4.490 3.360 2.194 3.745 . 0 0 "[ . 1 . 2]" 1
25 1 12 LEU HA 1 12 LEU MD1 . . 4.400 2.672 1.984 3.483 . 0 0 "[ . 1 . 2]" 1
26 1 12 LEU HA 1 12 LEU QD . . 3.780 2.379 1.876 2.951 . 0 0 "[ . 1 . 2]" 1
27 1 12 LEU HA 1 12 LEU MD2 . . 4.400 2.711 2.018 3.433 . 0 0 "[ . 1 . 2]" 1
28 1 12 LEU HA 1 12 LEU HG . . 4.050 2.972 2.113 3.674 . 0 0 "[ . 1 . 2]" 1
29 1 12 LEU HA 1 13 LYS H . . 3.030 2.315 2.142 2.575 . 0 0 "[ . 1 . 2]" 1
30 1 12 LEU QB 1 13 LYS H . . 4.450 2.953 2.176 3.789 . 0 0 "[ . 1 . 2]" 1
31 1 13 LYS H 1 13 LYS HB2 . . 3.880 2.902 2.072 4.039 0.159 5 0 "[ . 1 . 2]" 1
32 1 13 LYS H 1 13 LYS QB . . 3.240 2.657 2.053 3.392 0.152 4 0 "[ . 1 . 2]" 1
33 1 13 LYS H 1 13 LYS HB3 . . 3.880 3.477 2.775 4.051 0.171 20 0 "[ . 1 . 2]" 1
34 1 13 LYS H 1 13 LYS HD2 . . 5.170 4.222 2.938 4.815 . 0 0 "[ . 1 . 2]" 1
35 1 13 LYS H 1 13 LYS QD . . 4.430 3.551 2.186 4.157 . 0 0 "[ . 1 . 2]" 1
36 1 13 LYS H 1 13 LYS HD3 . . 5.170 4.038 2.199 4.870 . 0 0 "[ . 1 . 2]" 1
37 1 13 LYS HA 1 13 LYS HD2 . . 5.500 3.881 2.143 5.050 . 0 0 "[ . 1 . 2]" 1
38 1 13 LYS HA 1 13 LYS QD . . 4.710 3.392 2.089 4.265 . 0 0 "[ . 1 . 2]" 1
39 1 13 LYS HA 1 13 LYS HD3 . . 5.500 3.983 2.112 5.237 . 0 0 "[ . 1 . 2]" 1
40 1 13 LYS HA 1 14 LYS H . . 3.570 2.553 2.141 3.570 . 0 0 "[ . 1 . 2]" 1
41 1 13 LYS QB 1 14 LYS H . . 4.420 2.994 1.953 4.023 . 0 0 "[ . 1 . 2]" 1
42 1 14 LYS H 1 14 LYS QB . . 3.530 2.619 2.135 3.052 . 0 0 "[ . 1 . 2]" 1
43 1 14 LYS HA 1 14 LYS HG2 . . 3.900 2.988 2.108 3.798 . 0 0 "[ . 1 . 2]" 1
44 1 14 LYS HA 1 14 LYS HG3 . . 3.900 2.819 2.136 3.835 . 0 0 "[ . 1 . 2]" 1
45 1 14 LYS QG 1 15 LYS H . . 5.340 3.384 2.170 4.548 . 0 0 "[ . 1 . 2]" 1
46 1 15 LYS H 1 15 LYS QB . . 3.600 2.562 2.096 3.283 . 0 0 "[ . 1 . 2]" 1
47 1 15 LYS HA 1 15 LYS QD . . 3.640 2.813 2.229 3.477 . 0 0 "[ . 1 . 2]" 1
48 1 15 LYS HA 1 15 LYS HG2 . . 4.250 3.100 2.053 3.771 . 0 0 "[ . 1 . 2]" 1
49 1 15 LYS HA 1 15 LYS QG . . 3.740 2.392 2.011 3.440 . 0 0 "[ . 1 . 2]" 1
50 1 15 LYS HA 1 15 LYS HG3 . . 4.250 2.939 2.030 4.238 . 0 0 "[ . 1 . 2]" 1
51 1 16 GLN HA 1 16 GLN QG . . 3.730 2.424 2.041 3.339 . 0 0 "[ . 1 . 2]" 1
52 1 17 ALA H 1 18 ARG H . . 4.520 4.008 2.464 4.417 . 0 0 "[ . 1 . 2]" 1
53 1 17 ALA HA 1 18 ARG H . . 2.870 2.298 2.142 2.846 . 0 0 "[ . 1 . 2]" 1
54 1 17 ALA HA 1 18 ARG QG . . 4.560 3.769 3.389 4.231 . 0 0 "[ . 1 . 2]" 1
55 1 17 ALA MB 1 18 ARG H . . 3.430 3.083 2.191 3.665 0.235 17 0 "[ . 1 . 2]" 1
56 1 18 ARG H 1 18 ARG QB . . 3.540 3.134 2.284 3.381 . 0 0 "[ . 1 . 2]" 1
57 1 18 ARG H 1 18 ARG QG . . 3.170 2.469 1.923 2.986 . 0 0 "[ . 1 . 2]" 1
58 1 18 ARG H 1 19 CYS H . . 4.560 4.403 4.180 4.609 0.049 19 0 "[ . 1 . 2]" 1
59 1 18 ARG H 1 19 CYS QB . . 4.850 5.424 4.681 6.197 1.347 7 10 "[* *. +* 1** .**-*2]" 1
60 1 18 ARG HA 1 19 CYS H . . 3.050 2.504 2.221 2.711 . 0 0 "[ . 1 . 2]" 1
61 1 18 ARG HA 1 64 PHE H . . 5.370 5.509 4.801 5.987 0.617 6 3 "[ .+*- 1 . 2]" 1
62 1 18 ARG QB 1 19 CYS H . . 3.340 2.235 1.927 2.883 . 0 0 "[ . 1 . 2]" 1
63 1 18 ARG QB 1 19 CYS QB . . 4.960 4.497 4.164 5.014 0.054 20 0 "[ . 1 . 2]" 1
64 1 18 ARG QB 1 64 PHE H . . 4.170 4.170 3.713 4.312 0.142 20 0 "[ . 1 . 2]" 1
65 1 19 CYS H 1 19 CYS HB2 . . 3.800 2.765 2.641 2.863 . 0 0 "[ . 1 . 2]" 1
66 1 19 CYS H 1 19 CYS HB3 . . 3.800 3.757 3.639 3.882 0.082 11 0 "[ . 1 . 2]" 1
67 1 19 CYS H 1 20 GLN H . . 4.300 4.239 4.070 4.299 . 0 0 "[ . 1 . 2]" 1
68 1 19 CYS H 1 64 PHE H . . 3.680 3.362 3.116 3.590 . 0 0 "[ . 1 . 2]" 1
69 1 19 CYS HA 1 20 GLN H . . 2.960 2.177 2.141 2.248 . 0 0 "[ . 1 . 2]" 1
70 1 19 CYS QB 1 20 GLN H . . 3.660 3.156 2.906 3.398 . 0 0 "[ . 1 . 2]" 1
71 1 19 CYS QB 1 64 PHE HZ . . 4.070 2.957 2.184 3.708 . 0 0 "[ . 1 . 2]" 1
72 1 19 CYS HB2 1 64 PHE QE . . 4.660 2.808 2.172 3.525 . 0 0 "[ . 1 . 2]" 1
73 1 19 CYS HB2 1 64 PHE HZ . . 4.660 4.139 3.219 4.390 . 0 0 "[ . 1 . 2]" 1
74 1 19 CYS HB3 1 64 PHE QE . . 4.660 2.756 2.356 3.449 . 0 0 "[ . 1 . 2]" 1
75 1 19 CYS HB3 1 64 PHE HZ . . 4.660 3.047 2.222 4.090 . 0 0 "[ . 1 . 2]" 1
76 1 20 GLN H 1 20 GLN HB3 . . 3.090 3.122 2.979 3.199 0.109 15 0 "[ . 1 . 2]" 1
77 1 20 GLN H 1 20 GLN QG . . 4.000 2.358 2.195 2.444 . 0 0 "[ . 1 . 2]" 1
78 1 20 GLN H 1 21 GLY H . . 4.560 4.451 4.399 4.483 . 0 0 "[ . 1 . 2]" 1
79 1 20 GLN HA 1 20 GLN QG . . 3.570 3.347 3.324 3.404 . 0 0 "[ . 1 . 2]" 1
80 1 20 GLN HA 1 21 GLY H . . 3.180 2.428 2.301 2.457 . 0 0 "[ . 1 . 2]" 1
81 1 20 GLN HA 1 63 GLU HA . . 3.780 2.270 2.060 2.645 . 0 0 "[ . 1 . 2]" 1
82 1 20 GLN HA 1 64 PHE QE . . 4.950 3.081 2.362 3.579 . 0 0 "[ . 1 . 2]" 1
83 1 20 GLN HB2 1 20 GLN HE22 . . 5.260 4.765 4.556 5.050 . 0 0 "[ . 1 . 2]" 1
84 1 20 GLN HB2 1 21 GLY H . . 3.590 2.436 2.317 2.751 . 0 0 "[ . 1 . 2]" 1
85 1 20 GLN HB2 1 62 VAL H . . 4.740 3.966 3.705 4.249 . 0 0 "[ . 1 . 2]" 1
86 1 20 GLN HB2 1 81 LEU QD . . 3.780 1.920 1.897 1.980 . 0 0 "[ . 1 . 2]" 1
87 1 20 GLN HB3 1 20 GLN HE21 . . 4.790 3.485 2.140 4.151 . 0 0 "[ . 1 . 2]" 1
88 1 20 GLN HB3 1 20 GLN HE22 . . 4.790 3.954 3.273 4.321 . 0 0 "[ . 1 . 2]" 1
89 1 20 GLN QE 1 20 GLN QG . . 2.930 2.173 2.067 2.523 . 0 0 "[ . 1 . 2]" 1
90 1 20 GLN QE 1 63 GLU QG . . 4.570 4.104 2.673 5.339 0.769 4 1 "[ +. 1 . 2]" 1
91 1 20 GLN QE 1 81 LEU QD . . 3.670 2.774 2.177 3.260 . 0 0 "[ . 1 . 2]" 1
92 1 20 GLN HE21 1 81 LEU QD . . 4.490 2.971 2.243 3.786 . 0 0 "[ . 1 . 2]" 1
93 1 20 GLN HE22 1 81 LEU QD . . 4.490 3.441 2.936 3.996 . 0 0 "[ . 1 . 2]" 1
94 1 20 GLN QG 1 21 GLY H . . 3.940 3.388 3.195 3.605 . 0 0 "[ . 1 . 2]" 1
95 1 20 GLN QG 1 63 GLU QG . . 3.920 4.198 3.756 4.891 0.971 4 1 "[ +. 1 . 2]" 1
96 1 20 GLN QG 1 81 LEU QD . . 3.600 2.224 2.013 2.375 . 0 0 "[ . 1 . 2]" 1
97 1 20 GLN HG2 1 81 LEU QD . . 3.560 3.476 3.306 3.600 0.040 3 0 "[ . 1 . 2]" 1
98 1 20 GLN HG3 1 81 LEU QD . . 3.560 2.251 2.029 2.417 . 0 0 "[ . 1 . 2]" 1
99 1 21 GLY H 1 22 VAL H . . 4.790 4.143 3.946 4.378 . 0 0 "[ . 1 . 2]" 1
100 1 21 GLY H 1 22 VAL HA . . 5.020 4.565 4.465 4.690 . 0 0 "[ . 1 . 2]" 1
101 1 21 GLY H 1 33 ILE MG . . 4.330 2.969 2.610 3.347 . 0 0 "[ . 1 . 2]" 1
102 1 21 GLY H 1 62 VAL QG . . 3.920 3.087 2.682 3.267 . 0 0 "[ . 1 . 2]" 1
103 1 21 GLY H 1 63 GLU HA . . 4.490 3.633 3.465 3.857 . 0 0 "[ . 1 . 2]" 1
104 1 21 GLY H 1 64 PHE QD . . 4.600 4.270 3.958 4.760 0.160 3 0 "[ . 1 . 2]" 1
105 1 21 GLY H 1 64 PHE QE . . 3.920 3.386 2.966 4.048 0.128 14 0 "[ . 1 . 2]" 1
106 1 21 GLY H 1 81 LEU QD . . 4.440 3.106 2.854 3.302 . 0 0 "[ . 1 . 2]" 1
107 1 21 GLY QA 1 22 VAL QG . . 4.050 3.075 2.970 3.202 . 0 0 "[ . 1 . 2]" 1
108 1 21 GLY QA 1 33 ILE MG . . 3.820 2.084 1.919 2.284 . 0 0 "[ . 1 . 2]" 1
109 1 21 GLY QA 1 62 VAL H . . 4.550 4.303 4.087 4.445 . 0 0 "[ . 1 . 2]" 1
110 1 21 GLY QA 1 62 VAL QG . . 5.010 3.960 3.590 4.222 . 0 0 "[ . 1 . 2]" 1
111 1 22 VAL H 1 22 VAL HB . . 3.620 2.825 2.645 2.913 . 0 0 "[ . 1 . 2]" 1
112 1 22 VAL H 1 22 VAL MG1 . . 4.130 3.924 3.847 3.960 . 0 0 "[ . 1 . 2]" 1
113 1 22 VAL H 1 22 VAL QG . . 3.520 2.803 2.441 2.964 . 0 0 "[ . 1 . 2]" 1
114 1 22 VAL H 1 22 VAL MG2 . . 4.130 2.873 2.467 3.068 . 0 0 "[ . 1 . 2]" 1
115 1 22 VAL H 1 23 VAL H . . 4.600 4.290 4.226 4.434 . 0 0 "[ . 1 . 2]" 1
116 1 22 VAL H 1 33 ILE MG . . 3.560 2.114 1.899 2.690 . 0 0 "[ . 1 . 2]" 1
117 1 22 VAL H 1 34 GLU H . . 4.030 2.665 2.169 3.197 . 0 0 "[ . 1 . 2]" 1
118 1 22 VAL H 1 34 GLU HB2 . . 4.950 3.641 2.990 4.196 . 0 0 "[ . 1 . 2]" 1
119 1 22 VAL H 1 34 GLU QB . . 4.120 3.204 2.598 3.667 . 0 0 "[ . 1 . 2]" 1
120 1 22 VAL H 1 34 GLU HB3 . . 4.950 3.646 2.681 4.204 . 0 0 "[ . 1 . 2]" 1
121 1 22 VAL H 1 62 VAL H . . 5.110 4.865 4.617 5.068 . 0 0 "[ . 1 . 2]" 1
122 1 22 VAL HA 1 22 VAL MG1 . . 3.430 2.318 2.232 2.380 . 0 0 "[ . 1 . 2]" 1
123 1 22 VAL HA 1 22 VAL QG . . 3.000 2.088 2.045 2.133 . 0 0 "[ . 1 . 2]" 1
124 1 22 VAL HA 1 22 VAL MG2 . . 3.430 2.374 2.283 2.477 . 0 0 "[ . 1 . 2]" 1
125 1 22 VAL HA 1 23 VAL H . . 3.260 2.164 2.149 2.206 . 0 0 "[ . 1 . 2]" 1
126 1 22 VAL HA 1 23 VAL QG . . 4.330 3.601 3.497 3.681 . 0 0 "[ . 1 . 2]" 1
127 1 22 VAL HA 1 62 VAL MG1 . . 5.080 4.546 4.283 4.758 . 0 0 "[ . 1 . 2]" 1
128 1 22 VAL HA 1 62 VAL QG . . 3.760 3.230 2.813 3.508 . 0 0 "[ . 1 . 2]" 1
129 1 22 VAL HA 1 62 VAL MG2 . . 5.080 3.309 2.846 3.639 . 0 0 "[ . 1 . 2]" 1
130 1 22 VAL HB 1 23 VAL H . . 4.360 4.085 3.968 4.112 . 0 0 "[ . 1 . 2]" 1
131 1 22 VAL HB 1 33 ILE MG . . 4.510 4.209 3.956 4.433 . 0 0 "[ . 1 . 2]" 1
132 1 22 VAL HB 1 34 GLU H . . 5.210 3.805 3.556 4.121 . 0 0 "[ . 1 . 2]" 1
133 1 22 VAL QG 1 23 VAL H . . 3.250 2.322 2.131 2.592 . 0 0 "[ . 1 . 2]" 1
134 1 22 VAL QG 1 33 ILE MG . . 4.460 3.755 3.627 3.917 . 0 0 "[ . 1 . 2]" 1
135 1 22 VAL QG 1 34 GLU H . . 5.440 4.129 3.980 4.341 . 0 0 "[ . 1 . 2]" 1
136 1 22 VAL QG 1 59 GLY H . . 4.550 4.422 3.952 4.687 0.137 17 0 "[ . 1 . 2]" 1
137 1 22 VAL QG 1 59 GLY QA . . 3.230 2.784 2.133 3.285 0.055 3 0 "[ . 1 . 2]" 1
138 1 22 VAL QG 1 60 ASP H . . 4.750 4.073 3.126 4.733 . 0 0 "[ . 1 . 2]" 1
139 1 22 VAL QG 1 61 ASP H . . 4.300 3.866 3.568 4.150 . 0 0 "[ . 1 . 2]" 1
140 1 22 VAL QG 1 61 ASP QB . . 4.130 3.549 3.241 3.935 . 0 0 "[ . 1 . 2]" 1
141 1 22 VAL QG 1 62 VAL H . . 4.320 3.945 3.681 4.168 . 0 0 "[ . 1 . 2]" 1
142 1 22 VAL MG1 1 23 VAL H . . 4.520 2.336 2.139 2.620 . 0 0 "[ . 1 . 2]" 1
143 1 22 VAL MG1 1 61 ASP HA . . 4.700 3.473 3.007 3.867 . 0 0 "[ . 1 . 2]" 1
144 1 22 VAL MG2 1 23 VAL H . . 4.520 4.052 3.949 4.143 . 0 0 "[ . 1 . 2]" 1
145 1 22 VAL MG2 1 61 ASP HA . . 4.700 2.979 2.540 3.397 . 0 0 "[ . 1 . 2]" 1
146 1 23 VAL H 1 23 VAL HB . . 3.480 2.610 2.549 2.676 . 0 0 "[ . 1 . 2]" 1
147 1 23 VAL H 1 23 VAL MG1 . . 3.930 3.764 3.756 3.767 . 0 0 "[ . 1 . 2]" 1
148 1 23 VAL H 1 23 VAL QG . . 3.260 2.082 1.922 2.270 . 0 0 "[ . 1 . 2]" 1
149 1 23 VAL H 1 23 VAL MG2 . . 3.930 2.093 1.927 2.289 . 0 0 "[ . 1 . 2]" 1
150 1 23 VAL H 1 33 ILE MG . . 4.350 3.708 3.394 4.003 . 0 0 "[ . 1 . 2]" 1
151 1 23 VAL H 1 62 VAL MG1 . . 4.350 3.909 3.544 4.168 . 0 0 "[ . 1 . 2]" 1
152 1 23 VAL H 1 62 VAL MG2 . . 4.350 3.078 2.847 3.451 . 0 0 "[ . 1 . 2]" 1
153 1 23 VAL HA 1 23 VAL MG1 . . 3.700 2.329 2.225 2.401 . 0 0 "[ . 1 . 2]" 1
154 1 23 VAL HA 1 23 VAL MG2 . . 3.700 2.353 2.294 2.433 . 0 0 "[ . 1 . 2]" 1
155 1 23 VAL HA 1 25 ALA H . . 4.060 3.731 3.446 4.211 0.151 14 0 "[ . 1 . 2]" 1
156 1 23 VAL HA 1 33 ILE HA . . 4.070 2.635 2.424 2.949 . 0 0 "[ . 1 . 2]" 1
157 1 23 VAL HA 1 33 ILE MG . . 4.660 3.383 2.936 3.823 . 0 0 "[ . 1 . 2]" 1
158 1 23 VAL HA 1 34 GLU H . . 4.350 3.874 3.200 4.139 . 0 0 "[ . 1 . 2]" 1
159 1 23 VAL HB 1 59 GLY H . . 4.770 4.806 4.643 4.951 0.181 15 0 "[ . 1 . 2]" 1
160 1 23 VAL HB 1 60 ASP H . . 4.490 3.887 3.220 4.247 . 0 0 "[ . 1 . 2]" 1
161 1 23 VAL QG 1 24 CYS H . . 4.130 3.064 2.926 3.149 . 0 0 "[ . 1 . 2]" 1
162 1 23 VAL QG 1 25 ALA H . . 3.620 3.092 2.703 3.487 . 0 0 "[ . 1 . 2]" 1
163 1 23 VAL QG 1 25 ALA MB . . 4.620 3.875 3.631 4.113 . 0 0 "[ . 1 . 2]" 1
164 1 23 VAL QG 1 26 MET H . . 5.010 4.590 4.332 4.840 . 0 0 "[ . 1 . 2]" 1
165 1 23 VAL QG 1 26 MET ME . . 4.210 2.996 2.411 3.682 . 0 0 "[ . 1 . 2]" 1
166 1 23 VAL QG 1 26 MET QG . . 3.720 2.493 2.029 2.914 . 0 0 "[ . 1 . 2]" 1
167 1 23 VAL QG 1 32 PHE H . . 4.490 3.659 3.155 4.306 . 0 0 "[ . 1 . 2]" 1
168 1 23 VAL QG 1 33 ILE MD . . 4.080 3.522 3.006 3.882 . 0 0 "[ . 1 . 2]" 1
169 1 23 VAL QG 1 33 ILE QG . . 4.130 2.729 2.104 3.224 . 0 0 "[ . 1 . 2]" 1
170 1 23 VAL QG 1 34 GLU H . . 5.440 4.760 4.268 4.987 . 0 0 "[ . 1 . 2]" 1
171 1 23 VAL QG 1 44 PHE QE . . 3.830 3.130 2.883 3.457 . 0 0 "[ . 1 . 2]" 1
172 1 23 VAL QG 1 44 PHE HZ . . 3.990 2.564 2.361 2.844 . 0 0 "[ . 1 . 2]" 1
173 1 23 VAL QG 1 56 LEU QD . . 3.680 2.304 1.831 2.633 . 0 0 "[ . 1 . 2]" 1
174 1 23 VAL QG 1 56 LEU HG . . 4.060 3.238 2.728 3.519 . 0 0 "[ . 1 . 2]" 1
175 1 23 VAL QG 1 59 GLY H . . 5.440 4.887 4.690 5.069 . 0 0 "[ . 1 . 2]" 1
176 1 23 VAL QG 1 60 ASP H . . 5.090 3.797 2.764 4.542 . 0 0 "[ . 1 . 2]" 1
177 1 23 VAL QG 1 60 ASP QB . . 3.850 3.685 3.342 3.891 0.041 4 0 "[ . 1 . 2]" 1
178 1 23 VAL QG 1 62 VAL QG . . 2.890 1.956 1.676 2.316 . 0 0 "[ . 1 . 2]" 1
179 1 23 VAL MG1 1 44 PHE QE . . 4.490 3.392 3.039 3.866 . 0 0 "[ . 1 . 2]" 1
180 1 23 VAL MG1 1 44 PHE HZ . . 4.660 2.738 2.430 3.087 . 0 0 "[ . 1 . 2]" 1
181 1 23 VAL MG1 1 56 LEU HG . . 5.190 3.703 3.131 3.911 . 0 0 "[ . 1 . 2]" 1
182 1 23 VAL MG2 1 44 PHE QE . . 4.490 3.688 3.484 4.062 . 0 0 "[ . 1 . 2]" 1
183 1 23 VAL MG2 1 44 PHE HZ . . 4.660 3.154 2.700 3.597 . 0 0 "[ . 1 . 2]" 1
184 1 23 VAL MG2 1 56 LEU HG . . 5.190 3.623 2.828 3.999 . 0 0 "[ . 1 . 2]" 1
185 1 24 CYS H 1 25 ALA H . . 3.380 2.308 2.067 2.657 . 0 0 "[ . 1 . 2]" 1
186 1 24 CYS H 1 33 ILE HA . . 3.920 2.519 1.956 2.895 . 0 0 "[ . 1 . 2]" 1
187 1 24 CYS H 1 34 GLU H . . 4.210 3.189 2.745 3.652 . 0 0 "[ . 1 . 2]" 1
188 1 24 CYS QB 1 34 GLU QB . . 3.980 2.441 1.982 2.981 . 0 0 "[ . 1 . 2]" 1
189 1 24 CYS QB 1 34 GLU QG . . 4.760 2.783 2.029 3.554 . 0 0 "[ . 1 . 2]" 1
190 1 25 ALA H 1 25 ALA MB . . 3.560 2.251 2.140 2.336 . 0 0 "[ . 1 . 2]" 1
191 1 25 ALA H 1 32 PHE H . . 4.000 2.838 2.459 3.640 . 0 0 "[ . 1 . 2]" 1
192 1 25 ALA H 1 32 PHE QB . . 4.260 3.195 2.384 4.122 . 0 0 "[ . 1 . 2]" 1
193 1 25 ALA H 1 33 ILE HA . . 3.940 4.160 3.622 4.578 0.638 12 1 "[ . 1 + . 2]" 1
194 1 25 ALA HA 1 26 MET H . . 3.130 2.210 2.144 2.289 . 0 0 "[ . 1 . 2]" 1
195 1 25 ALA MB 1 26 MET H . . 3.240 2.943 2.767 3.232 . 0 0 "[ . 1 . 2]" 1
196 1 25 ALA MB 1 32 PHE H . . 4.060 1.928 1.871 2.170 . 0 0 "[ . 1 . 2]" 1
197 1 25 ALA MB 1 32 PHE QB . . 3.310 2.093 1.894 2.433 . 0 0 "[ . 1 . 2]" 1
198 1 25 ALA MB 1 32 PHE QD . . 3.410 2.136 1.976 2.402 . 0 0 "[ . 1 . 2]" 1
199 1 25 ALA MB 1 32 PHE QE . . 4.360 3.786 3.617 4.099 . 0 0 "[ . 1 . 2]" 1
200 1 26 MET H 1 26 MET HG2 . . 4.400 3.935 3.271 4.274 . 0 0 "[ . 1 . 2]" 1
201 1 26 MET H 1 26 MET QG . . 3.810 3.571 3.153 3.797 . 0 0 "[ . 1 . 2]" 1
202 1 26 MET H 1 26 MET HG3 . . 4.400 4.169 3.616 4.534 0.134 16 0 "[ . 1 . 2]" 1
203 1 26 MET QB 1 26 MET ME . . 4.240 2.967 1.957 3.626 . 0 0 "[ . 1 . 2]" 1
204 1 26 MET HB2 1 26 MET ME . . 4.860 3.967 3.168 4.291 . 0 0 "[ . 1 . 2]" 1
205 1 26 MET HB3 1 26 MET ME . . 4.860 3.095 1.976 3.917 . 0 0 "[ . 1 . 2]" 1
206 1 26 MET ME 1 26 MET QG . . 3.500 2.194 2.038 2.414 . 0 0 "[ . 1 . 2]" 1
207 1 26 MET ME 1 27 LYS H . . 4.630 3.801 3.129 4.094 . 0 0 "[ . 1 . 2]" 1
208 1 26 MET ME 1 46 TYR QE . . 4.360 3.480 2.616 4.075 . 0 0 "[ . 1 . 2]" 1
209 1 26 MET ME 1 53 LEU QD . . 4.050 4.281 3.479 5.055 1.005 7 7 "[ - * + 1 * *. * *]" 1
210 1 26 MET ME 1 56 LEU H . . 4.090 4.162 3.539 4.488 0.398 20 0 "[ . 1 . 2]" 1
211 1 26 MET ME 1 56 LEU QB . . 4.110 2.932 2.171 3.489 . 0 0 "[ . 1 . 2]" 1
212 1 26 MET ME 1 56 LEU MD1 . . 4.360 4.018 3.400 4.339 . 0 0 "[ . 1 . 2]" 1
213 1 26 MET ME 1 56 LEU QD . . 3.410 2.577 1.958 3.112 . 0 0 "[ . 1 . 2]" 1
214 1 26 MET ME 1 56 LEU MD2 . . 4.360 2.613 1.970 3.190 . 0 0 "[ . 1 . 2]" 1
215 1 26 MET ME 1 56 LEU HG . . 3.700 2.777 1.998 3.232 . 0 0 "[ . 1 . 2]" 1
216 1 26 MET ME 1 57 GLN H . . 4.880 4.415 2.756 5.036 0.156 19 0 "[ . 1 . 2]" 1
217 1 26 MET ME 1 57 GLN QG . . 4.810 3.080 1.927 3.795 . 0 0 "[ . 1 . 2]" 1
218 1 27 LYS QD 1 30 PHE QE . . 4.700 2.697 2.156 3.844 . 0 0 "[ . 1 . 2]" 1
219 1 27 LYS HD2 1 30 PHE QE . . 5.500 3.630 2.220 5.327 . 0 0 "[ . 1 . 2]" 1
220 1 27 LYS HD3 1 30 PHE QE . . 5.500 3.035 2.365 3.972 . 0 0 "[ . 1 . 2]" 1
221 1 27 LYS QG 1 30 PHE QE . . 4.270 4.106 3.330 4.686 0.416 15 0 "[ . 1 . 2]" 1
222 1 28 GLU H 1 29 ALA H . . 4.400 3.070 2.880 3.236 . 0 0 "[ . 1 . 2]" 1
223 1 28 GLU QB 1 29 ALA H . . 4.370 3.874 3.812 3.940 . 0 0 "[ . 1 . 2]" 1
224 1 28 GLU QB 1 29 ALA MB . . 4.070 3.718 3.623 3.804 . 0 0 "[ . 1 . 2]" 1
225 1 28 GLU HB2 1 29 ALA H . . 5.010 4.381 4.169 4.614 . 0 0 "[ . 1 . 2]" 1
226 1 28 GLU HB3 1 29 ALA H . . 5.010 4.340 4.161 4.461 . 0 0 "[ . 1 . 2]" 1
227 1 29 ALA HA 1 46 TYR QD . . 4.240 3.402 2.271 3.767 . 0 0 "[ . 1 . 2]" 1
228 1 29 ALA MB 1 30 PHE H . . 4.090 2.547 2.373 2.738 . 0 0 "[ . 1 . 2]" 1
229 1 29 ALA MB 1 30 PHE QB . . 4.160 3.554 3.460 3.637 . 0 0 "[ . 1 . 2]" 1
230 1 29 ALA MB 1 30 PHE QD . . 3.780 2.687 2.402 2.845 . 0 0 "[ . 1 . 2]" 1
231 1 29 ALA MB 1 30 PHE QE . . 4.490 3.295 3.244 3.388 . 0 0 "[ . 1 . 2]" 1
232 1 30 PHE H 1 30 PHE QD . . 4.300 3.270 3.230 3.346 . 0 0 "[ . 1 . 2]" 1
233 1 30 PHE H 1 31 GLY H . . 4.600 4.392 4.390 4.396 . 0 0 "[ . 1 . 2]" 1
234 1 30 PHE HA 1 45 HIS HA . . 4.360 2.759 2.539 2.978 . 0 0 "[ . 1 . 2]" 1
235 1 30 PHE HA 1 46 TYR H . . 3.730 2.634 2.428 2.884 . 0 0 "[ . 1 . 2]" 1
236 1 30 PHE HA 1 46 TYR QD . . 5.220 2.573 1.999 3.666 . 0 0 "[ . 1 . 2]" 1
237 1 30 PHE QB 1 31 GLY H . . 3.450 2.262 2.239 2.344 . 0 0 "[ . 1 . 2]" 1
238 1 30 PHE QB 1 46 TYR H . . 4.480 3.560 3.229 3.859 . 0 0 "[ . 1 . 2]" 1
239 1 30 PHE HB2 1 31 GLY H . . 4.000 2.287 2.262 2.375 . 0 0 "[ . 1 . 2]" 1
240 1 30 PHE HB2 1 45 HIS HA . . 4.490 3.309 2.997 3.565 . 0 0 "[ . 1 . 2]" 1
241 1 30 PHE HB3 1 31 GLY H . . 4.000 3.575 3.548 3.608 . 0 0 "[ . 1 . 2]" 1
242 1 30 PHE HB3 1 45 HIS HA . . 4.490 2.790 2.609 2.920 . 0 0 "[ . 1 . 2]" 1
243 1 30 PHE QD 1 31 GLY H . . 3.970 3.417 3.283 3.536 . 0 0 "[ . 1 . 2]" 1
244 1 30 PHE QD 1 31 GLY QA . . 4.710 2.984 2.895 3.070 . 0 0 "[ . 1 . 2]" 1
245 1 31 GLY H 1 44 PHE H . . 4.170 3.619 3.270 3.984 . 0 0 "[ . 1 . 2]" 1
246 1 31 GLY H 1 45 HIS HA . . 4.170 3.709 3.434 3.932 . 0 0 "[ . 1 . 2]" 1
247 1 32 PHE H 1 32 PHE QB . . 3.650 2.621 2.516 2.776 . 0 0 "[ . 1 . 2]" 1
248 1 32 PHE H 1 32 PHE QD . . 4.090 2.826 2.615 3.516 . 0 0 "[ . 1 . 2]" 1
249 1 32 PHE H 1 44 PHE QE . . 4.060 2.988 2.801 3.299 . 0 0 "[ . 1 . 2]" 1
250 1 32 PHE HA 1 32 PHE QD . . 4.240 3.049 2.750 3.131 . 0 0 "[ . 1 . 2]" 1
251 1 32 PHE HA 1 33 ILE H . . 3.540 2.442 2.275 2.546 . 0 0 "[ . 1 . 2]" 1
252 1 32 PHE HA 1 43 PHE HA . . 4.490 3.169 2.888 3.516 . 0 0 "[ . 1 . 2]" 1
253 1 32 PHE HA 1 44 PHE H . . 4.560 3.421 3.104 3.681 . 0 0 "[ . 1 . 2]" 1
254 1 32 PHE HA 1 44 PHE QD . . 4.490 2.750 2.488 2.875 . 0 0 "[ . 1 . 2]" 1
255 1 32 PHE QB 1 33 ILE H . . 3.890 2.339 2.111 2.705 . 0 0 "[ . 1 . 2]" 1
256 1 32 PHE QB 1 41 GLU QB . . 4.720 3.525 2.699 4.050 . 0 0 "[ . 1 . 2]" 1
257 1 32 PHE QD 1 33 ILE H . . 4.520 3.680 2.924 4.045 . 0 0 "[ . 1 . 2]" 1
258 1 32 PHE QD 1 41 GLU QB . . 4.730 3.492 2.255 4.076 . 0 0 "[ . 1 . 2]" 1
259 1 32 PHE QD 1 41 GLU QG . . 4.560 3.531 3.019 3.850 . 0 0 "[ . 1 . 2]" 1
260 1 32 PHE QD 1 43 PHE HA . . 4.660 3.313 2.654 4.010 . 0 0 "[ . 1 . 2]" 1
261 1 32 PHE QD 1 44 PHE H . . 5.290 4.761 4.344 4.899 . 0 0 "[ . 1 . 2]" 1
262 1 33 ILE H 1 33 ILE HB . . 3.850 2.764 2.633 2.937 . 0 0 "[ . 1 . 2]" 1
263 1 33 ILE H 1 33 ILE MG . . 4.520 3.901 3.849 3.969 . 0 0 "[ . 1 . 2]" 1
264 1 33 ILE H 1 41 GLU QB . . 4.640 3.786 3.101 4.524 . 0 0 "[ . 1 . 2]" 1
265 1 33 ILE H 1 42 ILE H . . 4.090 3.299 2.674 3.729 . 0 0 "[ . 1 . 2]" 1
266 1 33 ILE H 1 42 ILE MD . . 4.210 2.507 1.939 3.033 . 0 0 "[ . 1 . 2]" 1
267 1 33 ILE HA 1 33 ILE MG . . 3.600 2.309 2.246 2.384 . 0 0 "[ . 1 . 2]" 1
268 1 33 ILE HA 1 34 GLU H . . 3.480 2.187 2.141 2.250 . 0 0 "[ . 1 . 2]" 1
269 1 33 ILE HB 1 42 ILE MD . . 3.560 1.976 1.910 2.110 . 0 0 "[ . 1 . 2]" 1
270 1 33 ILE MD 1 33 ILE MG . . 3.370 2.104 1.912 2.626 . 0 0 "[ . 1 . 2]" 1
271 1 33 ILE MD 1 42 ILE MD . . 3.940 2.162 1.909 2.719 . 0 0 "[ . 1 . 2]" 1
272 1 33 ILE MD 1 44 PHE QB . . 4.270 3.106 2.775 3.394 . 0 0 "[ . 1 . 2]" 1
273 1 33 ILE MD 1 44 PHE QD . . 3.940 2.865 2.118 3.190 . 0 0 "[ . 1 . 2]" 1
274 1 33 ILE MD 1 62 VAL H . . 5.500 4.626 4.288 5.198 . 0 0 "[ . 1 . 2]" 1
275 1 33 ILE MD 1 62 VAL QG . . 3.380 1.908 1.788 2.393 . 0 0 "[ . 1 . 2]" 1
276 1 33 ILE MD 1 64 PHE QD . . 4.360 2.152 1.934 2.580 . 0 0 "[ . 1 . 2]" 1
277 1 33 ILE MD 1 64 PHE QE . . 4.150 2.477 2.018 2.985 . 0 0 "[ . 1 . 2]" 1
278 1 33 ILE MD 1 75 ALA H . . 5.500 5.377 5.193 5.501 0.001 17 0 "[ . 1 . 2]" 1
279 1 33 ILE MD 1 75 ALA MB . . 3.590 3.196 3.022 3.380 . 0 0 "[ . 1 . 2]" 1
280 1 33 ILE MD 1 78 VAL MG1 . . 4.000 2.754 2.466 2.973 . 0 0 "[ . 1 . 2]" 1
281 1 33 ILE MD 1 78 VAL QG . . 3.510 2.490 2.303 2.617 . 0 0 "[ . 1 . 2]" 1
282 1 33 ILE MD 1 78 VAL MG2 . . 4.000 2.855 2.626 3.006 . 0 0 "[ . 1 . 2]" 1
283 1 33 ILE QG 1 44 PHE QD . . 4.270 2.598 2.193 3.217 . 0 0 "[ . 1 . 2]" 1
284 1 33 ILE QG 1 44 PHE QE . . 4.770 2.248 2.047 2.458 . 0 0 "[ . 1 . 2]" 1
285 1 33 ILE QG 1 62 VAL QG . . 3.640 2.313 1.901 2.795 . 0 0 "[ . 1 . 2]" 1
286 1 33 ILE MG 1 34 GLU H . . 3.700 2.293 1.972 2.804 . 0 0 "[ . 1 . 2]" 1
287 1 33 ILE MG 1 42 ILE MD . . 3.630 3.182 3.033 3.388 . 0 0 "[ . 1 . 2]" 1
288 1 33 ILE MG 1 64 PHE QE . . 3.660 2.159 1.954 2.700 . 0 0 "[ . 1 . 2]" 1
289 1 34 GLU H 1 34 GLU HB2 . . 3.810 2.199 2.074 2.349 . 0 0 "[ . 1 . 2]" 1
290 1 34 GLU H 1 34 GLU HB3 . . 3.810 3.195 2.845 3.469 . 0 0 "[ . 1 . 2]" 1
291 1 34 GLU H 1 34 GLU HG2 . . 5.180 4.087 3.143 4.609 . 0 0 "[ . 1 . 2]" 1
292 1 34 GLU H 1 34 GLU QG . . 4.470 3.632 2.977 4.076 . 0 0 "[ . 1 . 2]" 1
293 1 34 GLU H 1 34 GLU HG3 . . 5.180 4.134 3.561 4.573 . 0 0 "[ . 1 . 2]" 1
294 1 34 GLU H 1 35 ARG H . . 4.740 4.483 4.271 4.606 . 0 0 "[ . 1 . 2]" 1
295 1 34 GLU H 1 41 GLU QB . . 5.500 5.709 4.807 6.666 1.166 12 7 "[ ** * 1 + **- 2]" 1
296 1 34 GLU HA 1 35 ARG H . . 3.500 2.175 2.139 2.272 . 0 0 "[ . 1 . 2]" 1
297 1 34 GLU HA 1 41 GLU HA . . 4.240 4.553 3.277 5.183 0.943 2 11 "[ + *** 1 * ***** -]" 1
298 1 34 GLU QG 1 35 ARG H . . 3.970 3.362 2.479 4.312 0.342 5 0 "[ . 1 . 2]" 1
299 1 35 ARG H 1 35 ARG QG . . 4.070 2.643 1.998 3.509 . 0 0 "[ . 1 . 2]" 1
300 1 35 ARG H 1 40 LYS H . . 4.350 4.935 3.768 5.501 1.151 12 14 "[ * **** *-+ ***** *]" 1
301 1 35 ARG H 1 41 GLU HA . . 4.250 4.146 3.453 4.667 0.417 2 0 "[ . 1 . 2]" 1
302 1 35 ARG H 1 41 GLU QB . . 5.500 4.221 3.439 5.251 . 0 0 "[ . 1 . 2]" 1
303 1 35 ARG QB 1 38 VAL H . . 3.950 2.848 2.328 3.701 . 0 0 "[ . 1 . 2]" 1
304 1 35 ARG QB 1 38 VAL QG . . 3.680 2.150 1.829 2.528 . 0 0 "[ . 1 . 2]" 1
305 1 35 ARG QB 1 40 LYS H . . 3.680 2.781 2.149 3.329 . 0 0 "[ . 1 . 2]" 1
306 1 35 ARG HB2 1 36 GLY H . . 4.600 2.838 2.074 4.100 . 0 0 "[ . 1 . 2]" 1
307 1 35 ARG HB2 1 38 VAL H . . 4.690 3.471 2.392 4.334 . 0 0 "[ . 1 . 2]" 1
308 1 35 ARG HB2 1 40 LYS H . . 4.400 3.177 2.180 4.138 . 0 0 "[ . 1 . 2]" 1
309 1 35 ARG HB3 1 36 GLY H . . 4.600 3.218 2.302 4.056 . 0 0 "[ . 1 . 2]" 1
310 1 35 ARG HB3 1 38 VAL H . . 4.690 3.705 2.361 5.285 0.595 17 1 "[ . 1 . + 2]" 1
311 1 35 ARG HB3 1 40 LYS H . . 4.400 3.312 2.630 4.296 . 0 0 "[ . 1 . 2]" 1
312 1 35 ARG QD 1 38 VAL QG . . 3.970 3.064 1.829 3.890 . 0 0 "[ . 1 . 2]" 1
313 1 35 ARG QD 1 42 ILE MG . . 4.490 5.963 4.423 7.702 3.212 20 18 "[** *.**********-***+]" 1
314 1 36 GLY H 1 37 ASP H . . 4.130 2.611 1.934 3.755 . 0 0 "[ . 1 . 2]" 1
315 1 36 GLY H 1 38 VAL H . . 4.400 3.141 2.507 3.777 . 0 0 "[ . 1 . 2]" 1
316 1 37 ASP H 1 38 VAL H . . 3.430 2.352 1.899 2.785 . 0 0 "[ . 1 . 2]" 1
317 1 37 ASP H 1 38 VAL QG . . 4.460 3.405 2.505 3.889 . 0 0 "[ . 1 . 2]" 1
318 1 37 ASP QB 1 38 VAL H . . 4.110 2.983 2.549 3.746 . 0 0 "[ . 1 . 2]" 1
319 1 37 ASP HB2 1 38 VAL H . . 4.920 3.443 2.753 4.294 . 0 0 "[ . 1 . 2]" 1
320 1 37 ASP HB3 1 38 VAL H . . 4.920 3.388 2.619 4.129 . 0 0 "[ . 1 . 2]" 1
321 1 38 VAL H 1 38 VAL HB . . 4.020 3.747 3.669 3.919 . 0 0 "[ . 1 . 2]" 1
322 1 38 VAL H 1 38 VAL MG1 . . 3.420 2.828 2.400 3.240 . 0 0 "[ . 1 . 2]" 1
323 1 38 VAL H 1 38 VAL QG . . 2.950 2.005 1.886 2.277 . 0 0 "[ . 1 . 2]" 1
324 1 38 VAL H 1 38 VAL MG2 . . 3.420 2.056 1.925 2.329 . 0 0 "[ . 1 . 2]" 1
325 1 38 VAL H 1 39 VAL H . . 4.470 4.438 4.380 4.519 0.049 1 0 "[ . 1 . 2]" 1
326 1 38 VAL H 1 39 VAL HA . . 5.090 4.996 4.700 5.200 0.110 15 0 "[ . 1 . 2]" 1
327 1 38 VAL H 1 40 LYS H . . 4.400 4.532 4.156 4.827 0.427 1 0 "[ . 1 . 2]" 1
328 1 38 VAL HA 1 38 VAL MG1 . . 3.660 2.291 2.164 2.429 . 0 0 "[ . 1 . 2]" 1
329 1 38 VAL HA 1 38 VAL QG . . 3.120 2.243 2.131 2.358 . 0 0 "[ . 1 . 2]" 1
330 1 38 VAL HA 1 38 VAL MG2 . . 3.660 3.196 3.182 3.203 . 0 0 "[ . 1 . 2]" 1
331 1 38 VAL HA 1 39 VAL H . . 3.010 2.603 2.465 2.669 . 0 0 "[ . 1 . 2]" 1
332 1 38 VAL HA 1 39 VAL QG . . 4.050 3.282 3.185 3.410 . 0 0 "[ . 1 . 2]" 1
333 1 38 VAL HA 1 40 LYS H . . 5.090 4.572 4.381 4.701 . 0 0 "[ . 1 . 2]" 1
334 1 38 VAL HB 1 39 VAL H . . 3.480 1.991 1.946 2.250 . 0 0 "[ . 1 . 2]" 1
335 1 38 VAL HB 1 40 LYS H . . 4.800 3.233 3.038 3.448 . 0 0 "[ . 1 . 2]" 1
336 1 38 VAL QG 1 39 VAL H . . 3.350 2.882 2.671 3.046 . 0 0 "[ . 1 . 2]" 1
337 1 38 VAL QG 1 40 LYS H . . 3.920 2.082 1.915 2.395 . 0 0 "[ . 1 . 2]" 1
338 1 38 VAL QG 1 40 LYS HA . . 4.460 4.319 3.969 4.531 0.071 16 0 "[ . 1 . 2]" 1
339 1 38 VAL QG 1 40 LYS QB . . 3.640 2.899 2.064 3.525 . 0 0 "[ . 1 . 2]" 1
340 1 38 VAL QG 1 40 LYS QD . . 3.190 2.104 1.867 2.517 . 0 0 "[ . 1 . 2]" 1
341 1 38 VAL QG 1 40 LYS QE . . 5.140 2.923 1.986 3.647 . 0 0 "[ . 1 . 2]" 1
342 1 38 VAL QG 1 40 LYS QG . . 4.050 2.859 1.890 3.937 . 0 0 "[ . 1 . 2]" 1
343 1 38 VAL MG1 1 39 VAL H . . 4.150 3.506 3.398 3.619 . 0 0 "[ . 1 . 2]" 1
344 1 38 VAL MG1 1 40 LYS H . . 4.630 4.503 4.381 4.542 . 0 0 "[ . 1 . 2]" 1
345 1 38 VAL MG2 1 39 VAL H . . 4.150 3.076 2.756 3.278 . 0 0 "[ . 1 . 2]" 1
346 1 38 VAL MG2 1 40 LYS H . . 4.630 2.085 1.917 2.404 . 0 0 "[ . 1 . 2]" 1
347 1 39 VAL H 1 39 VAL HB . . 3.970 3.728 3.684 3.745 . 0 0 "[ . 1 . 2]" 1
348 1 39 VAL H 1 39 VAL MG1 . . 3.660 2.940 2.608 3.083 . 0 0 "[ . 1 . 2]" 1
349 1 39 VAL H 1 39 VAL QG . . 3.060 2.000 1.896 2.072 . 0 0 "[ . 1 . 2]" 1
350 1 39 VAL H 1 39 VAL MG2 . . 3.660 2.039 1.926 2.133 . 0 0 "[ . 1 . 2]" 1
351 1 39 VAL H 1 40 LYS H . . 3.810 2.906 2.758 3.051 . 0 0 "[ . 1 . 2]" 1
352 1 39 VAL HA 1 39 VAL MG1 . . 3.390 2.277 2.149 2.395 . 0 0 "[ . 1 . 2]" 1
353 1 39 VAL HA 1 39 VAL QG . . 2.940 2.229 2.118 2.330 . 0 0 "[ . 1 . 2]" 1
354 1 39 VAL HA 1 39 VAL MG2 . . 3.390 3.186 3.181 3.191 . 0 0 "[ . 1 . 2]" 1
355 1 39 VAL HA 1 40 LYS H . . 2.970 2.762 2.734 2.849 . 0 0 "[ . 1 . 2]" 1
356 1 39 VAL HB 1 40 LYS H . . 5.500 4.403 4.382 4.439 . 0 0 "[ . 1 . 2]" 1
357 1 39 VAL QG 1 40 LYS H . . 3.740 3.529 3.438 3.627 . 0 0 "[ . 1 . 2]" 1
358 1 39 VAL MG1 1 40 LYS H . . 4.510 4.365 4.332 4.387 . 0 0 "[ . 1 . 2]" 1
359 1 39 VAL MG2 1 40 LYS H . . 4.510 3.728 3.602 3.874 . 0 0 "[ . 1 . 2]" 1
360 1 40 LYS H 1 40 LYS QB . . 3.580 2.790 2.293 3.064 . 0 0 "[ . 1 . 2]" 1
361 1 40 LYS H 1 40 LYS QD . . 4.650 3.122 2.498 3.685 . 0 0 "[ . 1 . 2]" 1
362 1 40 LYS H 1 40 LYS HG2 . . 4.620 3.533 1.979 4.543 . 0 0 "[ . 1 . 2]" 1
363 1 40 LYS H 1 40 LYS QG . . 4.040 2.791 1.969 3.589 . 0 0 "[ . 1 . 2]" 1
364 1 40 LYS H 1 40 LYS HG3 . . 4.620 3.480 2.773 4.052 . 0 0 "[ . 1 . 2]" 1
365 1 40 LYS H 1 41 GLU H . . 4.460 4.368 4.268 4.533 0.073 8 0 "[ . 1 . 2]" 1
366 1 40 LYS HA 1 40 LYS QD . . 4.660 3.939 3.219 4.166 . 0 0 "[ . 1 . 2]" 1
367 1 40 LYS HA 1 40 LYS HG2 . . 4.240 3.406 2.801 3.604 . 0 0 "[ . 1 . 2]" 1
368 1 40 LYS HA 1 40 LYS HG3 . . 4.240 3.126 2.216 4.001 . 0 0 "[ . 1 . 2]" 1
369 1 40 LYS HA 1 41 GLU H . . 3.020 2.203 2.145 2.421 . 0 0 "[ . 1 . 2]" 1
370 1 40 LYS QB 1 40 LYS QE . . 3.960 3.229 2.634 3.644 . 0 0 "[ . 1 . 2]" 1
371 1 40 LYS QB 1 41 GLU H . . 3.650 2.994 2.423 3.256 . 0 0 "[ . 1 . 2]" 1
372 1 40 LYS HB2 1 40 LYS HE2 . . 5.180 4.325 3.314 5.005 . 0 0 "[ . 1 . 2]" 1
373 1 40 LYS HB2 1 40 LYS HE3 . . 5.180 3.877 3.060 4.600 . 0 0 "[ . 1 . 2]" 1
374 1 40 LYS HB2 1 41 GLU H . . 4.490 3.644 2.449 4.229 . 0 0 "[ . 1 . 2]" 1
375 1 40 LYS HB3 1 40 LYS HE2 . . 5.180 4.535 3.990 4.987 . 0 0 "[ . 1 . 2]" 1
376 1 40 LYS HB3 1 40 LYS HE3 . . 5.180 4.032 2.994 5.368 0.188 20 0 "[ . 1 . 2]" 1
377 1 40 LYS HB3 1 41 GLU H . . 4.490 3.519 2.777 4.229 . 0 0 "[ . 1 . 2]" 1
378 1 40 LYS QG 1 41 GLU H . . 4.080 4.040 3.364 4.240 0.160 7 0 "[ . 1 . 2]" 1
379 1 40 LYS HG2 1 41 GLU H . . 4.660 4.649 3.972 4.939 0.279 10 0 "[ . 1 . 2]" 1
380 1 40 LYS HG3 1 41 GLU H . . 4.660 4.460 3.631 4.882 0.222 9 0 "[ . 1 . 2]" 1
381 1 41 GLU H 1 41 GLU QB . . 3.370 2.827 2.334 3.052 . 0 0 "[ . 1 . 2]" 1
382 1 41 GLU H 1 41 GLU HG2 . . 4.240 2.757 2.185 4.251 0.011 12 0 "[ . 1 . 2]" 1
383 1 41 GLU H 1 41 GLU QG . . 3.500 2.574 2.171 3.308 . 0 0 "[ . 1 . 2]" 1
384 1 41 GLU H 1 41 GLU HG3 . . 4.240 3.773 3.225 3.993 . 0 0 "[ . 1 . 2]" 1
385 1 41 GLU HA 1 41 GLU HG2 . . 4.150 3.582 3.438 3.663 . 0 0 "[ . 1 . 2]" 1
386 1 41 GLU HA 1 41 GLU HG3 . . 4.150 3.854 2.277 4.239 0.089 2 0 "[ . 1 . 2]" 1
387 1 41 GLU HA 1 42 ILE H . . 3.540 2.439 2.410 2.473 . 0 0 "[ . 1 . 2]" 1
388 1 41 GLU HA 1 42 ILE MD . . 4.660 3.118 3.086 3.151 . 0 0 "[ . 1 . 2]" 1
389 1 41 GLU QB 1 42 ILE H . . 3.930 2.352 2.261 2.439 . 0 0 "[ . 1 . 2]" 1
390 1 41 GLU QB 1 42 ILE MD . . 3.970 3.566 3.488 3.653 . 0 0 "[ . 1 . 2]" 1
391 1 41 GLU HG2 1 42 ILE H . . 4.740 3.892 3.509 4.360 . 0 0 "[ . 1 . 2]" 1
392 1 41 GLU HG3 1 42 ILE H . . 4.740 3.952 3.420 4.292 . 0 0 "[ . 1 . 2]" 1
393 1 42 ILE H 1 42 ILE MD . . 3.680 1.860 1.857 1.872 . 0 0 "[ . 1 . 2]" 1
394 1 42 ILE H 1 42 ILE MG . . 4.520 2.717 2.699 2.787 . 0 0 "[ . 1 . 2]" 1
395 1 42 ILE HA 1 42 ILE MD . . 4.070 3.473 3.461 3.476 . 0 0 "[ . 1 . 2]" 1
396 1 42 ILE HA 1 42 ILE QG . . 3.670 3.432 3.430 3.433 . 0 0 "[ . 1 . 2]" 1
397 1 42 ILE HA 1 42 ILE MG . . 3.700 2.515 2.472 2.522 . 0 0 "[ . 1 . 2]" 1
398 1 42 ILE HA 1 43 PHE H . . 3.420 2.434 2.433 2.437 . 0 0 "[ . 1 . 2]" 1
399 1 42 ILE HB 1 42 ILE MD . . 3.530 3.228 3.221 3.229 . 0 0 "[ . 1 . 2]" 1
400 1 42 ILE HB 1 43 PHE H . . 4.350 2.433 2.431 2.442 . 0 0 "[ . 1 . 2]" 1
401 1 42 ILE HB 1 75 ALA H . . 4.650 3.170 2.821 3.509 . 0 0 "[ . 1 . 2]" 1
402 1 42 ILE MD 1 42 ILE MG . . 3.260 1.913 1.883 1.918 . 0 0 "[ . 1 . 2]" 1
403 1 42 ILE MD 1 43 PHE H . . 4.460 4.024 3.975 4.030 . 0 0 "[ . 1 . 2]" 1
404 1 42 ILE MD 1 62 VAL QG . . 4.740 4.418 4.072 4.794 0.054 15 0 "[ . 1 . 2]" 1
405 1 42 ILE MD 1 64 PHE QE . . 4.150 2.805 2.371 3.207 . 0 0 "[ . 1 . 2]" 1
406 1 42 ILE MD 1 66 ILE QG . . 4.660 4.856 4.105 5.629 0.969 17 9 "[* **. * 1 *-* + *2]" 1
407 1 42 ILE MD 1 75 ALA H . . 4.560 4.579 4.294 4.690 0.130 17 0 "[ . 1 . 2]" 1
408 1 42 ILE QG 1 42 ILE MG . . 3.110 2.281 2.276 2.320 . 0 0 "[ . 1 . 2]" 1
409 1 42 ILE QG 1 43 PHE H . . 3.660 2.955 2.910 2.962 . 0 0 "[ . 1 . 2]" 1
410 1 42 ILE QG 1 74 VAL HA . . 4.960 3.838 3.405 4.089 . 0 0 "[ . 1 . 2]" 1
411 1 42 ILE QG 1 75 ALA H . . 3.920 2.918 2.605 3.037 . 0 0 "[ . 1 . 2]" 1
412 1 42 ILE HG12 1 43 PHE H . . 4.170 3.018 2.967 3.025 . 0 0 "[ . 1 . 2]" 1
413 1 42 ILE HG12 1 75 ALA H . . 4.520 3.076 2.721 3.205 . 0 0 "[ . 1 . 2]" 1
414 1 42 ILE HG13 1 43 PHE H . . 4.170 4.215 4.203 4.218 0.048 6 0 "[ . 1 . 2]" 1
415 1 42 ILE HG13 1 75 ALA H . . 4.520 3.631 3.314 3.850 . 0 0 "[ . 1 . 2]" 1
416 1 42 ILE MG 1 43 PHE H . . 4.300 3.885 3.882 3.902 . 0 0 "[ . 1 . 2]" 1
417 1 42 ILE MG 1 64 PHE QE . . 4.070 2.627 1.961 3.299 . 0 0 "[ . 1 . 2]" 1
418 1 42 ILE MG 1 66 ILE QG . . 3.290 2.836 1.890 3.655 0.365 4 0 "[ . 1 . 2]" 1
419 1 42 ILE MG 1 73 GLU HB2 . . 4.000 3.534 2.148 4.074 0.074 2 0 "[ . 1 . 2]" 1
420 1 42 ILE MG 1 73 GLU HB3 . . 4.240 3.241 2.249 4.218 . 0 0 "[ . 1 . 2]" 1
421 1 42 ILE MG 1 75 ALA H . . 4.670 4.490 4.202 4.708 0.038 10 0 "[ . 1 . 2]" 1
422 1 43 PHE H 1 43 PHE HB2 . . 3.830 3.110 3.011 3.180 . 0 0 "[ . 1 . 2]" 1
423 1 43 PHE H 1 43 PHE HB3 . . 3.830 2.517 2.450 2.565 . 0 0 "[ . 1 . 2]" 1
424 1 43 PHE H 1 43 PHE QD . . 4.400 4.150 4.115 4.242 . 0 0 "[ . 1 . 2]" 1
425 1 43 PHE H 1 74 VAL QG . . 4.520 3.164 2.672 3.591 . 0 0 "[ . 1 . 2]" 1
426 1 43 PHE HA 1 44 PHE H . . 3.230 2.153 2.139 2.201 . 0 0 "[ . 1 . 2]" 1
427 1 43 PHE QB 1 44 PHE H . . 4.260 3.759 3.614 3.859 . 0 0 "[ . 1 . 2]" 1
428 1 43 PHE QB 1 74 VAL QG . . 3.630 2.259 1.957 2.777 . 0 0 "[ . 1 . 2]" 1
429 1 43 PHE HB2 1 74 VAL QG . . 4.150 3.728 3.283 4.193 0.043 17 0 "[ . 1 . 2]" 1
430 1 43 PHE HB3 1 74 VAL QG . . 4.150 2.280 1.972 2.818 . 0 0 "[ . 1 . 2]" 1
431 1 43 PHE QD 1 74 VAL HB . . 4.360 3.231 2.754 3.605 . 0 0 "[ . 1 . 2]" 1
432 1 43 PHE QD 1 74 VAL QG . . 3.660 2.345 1.972 2.979 . 0 0 "[ . 1 . 2]" 1
433 1 44 PHE H 1 44 PHE QD . . 3.440 2.279 1.963 2.739 . 0 0 "[ . 1 . 2]" 1
434 1 44 PHE QB 1 45 HIS H . . 3.970 2.781 2.599 3.067 . 0 0 "[ . 1 . 2]" 1
435 1 44 PHE QB 1 75 ALA MB . . 3.830 2.180 1.950 2.505 . 0 0 "[ . 1 . 2]" 1
436 1 44 PHE QB 1 78 VAL QG . . 3.570 1.998 1.850 2.298 . 0 0 "[ . 1 . 2]" 1
437 1 44 PHE HB2 1 45 HIS H . . 4.670 2.833 2.635 3.149 . 0 0 "[ . 1 . 2]" 1
438 1 44 PHE HB2 1 75 ALA MB . . 4.360 3.156 2.893 3.478 . 0 0 "[ . 1 . 2]" 1
439 1 44 PHE HB3 1 45 HIS H . . 4.670 4.065 3.957 4.226 . 0 0 "[ . 1 . 2]" 1
440 1 44 PHE HB3 1 75 ALA MB . . 4.360 2.223 1.982 2.569 . 0 0 "[ . 1 . 2]" 1
441 1 44 PHE QD 1 45 HIS H . . 4.460 3.588 3.374 3.820 . 0 0 "[ . 1 . 2]" 1
442 1 44 PHE QD 1 75 ALA MB . . 4.410 3.772 3.449 4.004 . 0 0 "[ . 1 . 2]" 1
443 1 44 PHE QD 1 78 VAL QG . . 3.810 2.535 2.046 2.953 . 0 0 "[ . 1 . 2]" 1
444 1 44 PHE QE 1 46 TYR QD . . 4.360 3.864 2.655 4.358 . 0 0 "[ . 1 . 2]" 1
445 1 44 PHE QE 1 56 LEU QD . . 4.460 3.913 3.685 4.102 . 0 0 "[ . 1 . 2]" 1
446 1 44 PHE HZ 1 56 LEU QD . . 3.930 3.974 3.869 4.035 0.105 17 0 "[ . 1 . 2]" 1
447 1 45 HIS H 1 45 HIS HB2 . . 4.030 2.437 2.334 2.513 . 0 0 "[ . 1 . 2]" 1
448 1 45 HIS H 1 45 HIS HB3 . . 4.030 3.054 2.988 3.147 . 0 0 "[ . 1 . 2]" 1
449 1 45 HIS H 1 46 TYR H . . 4.740 4.489 4.421 4.557 . 0 0 "[ . 1 . 2]" 1
450 1 45 HIS HA 1 46 TYR H . . 3.560 2.197 2.158 2.268 . 0 0 "[ . 1 . 2]" 1
451 1 46 TYR H 1 46 TYR HB2 . . 3.920 2.269 2.174 2.404 . 0 0 "[ . 1 . 2]" 1
452 1 46 TYR H 1 46 TYR HB3 . . 3.920 3.534 3.485 3.579 . 0 0 "[ . 1 . 2]" 1
453 1 46 TYR H 1 46 TYR QD . . 3.890 2.778 2.046 3.289 . 0 0 "[ . 1 . 2]" 1
454 1 46 TYR HA 1 46 TYR QD . . 3.700 2.606 2.034 3.082 . 0 0 "[ . 1 . 2]" 1
455 1 46 TYR HA 1 46 TYR QE . . 4.360 4.392 4.219 4.590 0.230 7 0 "[ . 1 . 2]" 1
456 1 46 TYR HA 1 53 LEU MD1 . . 4.660 4.104 3.176 4.940 0.280 14 0 "[ . 1 . 2]" 1
457 1 46 TYR HA 1 53 LEU MD2 . . 4.660 4.120 3.086 4.900 0.240 6 0 "[ . 1 . 2]" 1
458 1 46 TYR QB 1 53 LEU QD . . 3.600 2.148 1.938 2.581 . 0 0 "[ . 1 . 2]" 1
459 1 46 TYR HB2 1 53 LEU MD1 . . 5.480 3.948 3.441 4.620 . 0 0 "[ . 1 . 2]" 1
460 1 46 TYR HB2 1 53 LEU MD2 . . 5.480 3.805 3.467 4.243 . 0 0 "[ . 1 . 2]" 1
461 1 46 TYR HB3 1 53 LEU MD1 . . 5.480 2.702 2.002 3.492 . 0 0 "[ . 1 . 2]" 1
462 1 46 TYR HB3 1 53 LEU MD2 . . 5.480 2.597 1.983 3.209 . 0 0 "[ . 1 . 2]" 1
463 1 46 TYR QD 1 53 LEU MD1 . . 4.240 2.405 1.982 3.429 . 0 0 "[ . 1 . 2]" 1
464 1 46 TYR QD 1 53 LEU QD . . 3.660 1.980 1.771 2.197 . 0 0 "[ . 1 . 2]" 1
465 1 46 TYR QD 1 53 LEU MD2 . . 4.240 2.428 1.898 3.241 . 0 0 "[ . 1 . 2]" 1
466 1 46 TYR QE 1 53 LEU QD . . 4.620 2.863 2.147 3.252 . 0 0 "[ . 1 . 2]" 1
467 1 47 SER HA 1 49 PHE H . . 4.250 4.357 4.230 4.409 0.159 12 0 "[ . 1 . 2]" 1
468 1 48 GLU H 1 48 GLU QB . . 3.560 2.181 2.124 2.347 . 0 0 "[ . 1 . 2]" 1
469 1 48 GLU H 1 48 GLU QG . . 3.910 3.599 2.598 3.913 0.003 4 0 "[ . 1 . 2]" 1
470 1 48 GLU H 1 49 PHE H . . 3.620 2.257 2.180 2.393 . 0 0 "[ . 1 . 2]" 1
471 1 48 GLU HA 1 49 PHE H . . 3.160 3.465 3.462 3.470 0.310 4 0 "[ . 1 . 2]" 1
472 1 48 GLU QB 1 49 PHE H . . 3.950 2.951 2.893 2.967 . 0 0 "[ . 1 . 2]" 1
473 1 48 GLU QB 1 76 THR HB . . 4.830 5.000 4.305 5.522 0.692 4 4 "[* +. 1 .-* 2]" 1
474 1 48 GLU QB 1 76 THR MG . . 4.550 3.591 3.170 4.107 . 0 0 "[ . 1 . 2]" 1
475 1 48 GLU QB 1 77 ASP H . . 5.030 2.129 1.930 2.525 . 0 0 "[ . 1 . 2]" 1
476 1 48 GLU HG2 1 76 THR MG . . 4.250 2.663 2.071 3.764 . 0 0 "[ . 1 . 2]" 1
477 1 48 GLU HG3 1 76 THR MG . . 4.250 3.189 1.982 3.758 . 0 0 "[ . 1 . 2]" 1
478 1 49 PHE H 1 49 PHE HB2 . . 3.470 2.588 2.489 2.610 . 0 0 "[ . 1 . 2]" 1
479 1 49 PHE H 1 49 PHE HB3 . . 3.510 2.477 2.453 2.575 . 0 0 "[ . 1 . 2]" 1
480 1 49 PHE H 1 49 PHE QD . . 4.090 4.182 4.176 4.184 0.094 5 0 "[ . 1 . 2]" 1
481 1 49 PHE H 1 50 LYS H . . 4.670 4.531 4.466 4.586 . 0 0 "[ . 1 . 2]" 1
482 1 49 PHE HA 1 49 PHE QD . . 4.150 2.578 2.178 2.873 . 0 0 "[ . 1 . 2]" 1
483 1 49 PHE HA 1 50 LYS H . . 3.550 2.149 2.138 2.174 . 0 0 "[ . 1 . 2]" 1
484 1 49 PHE HA 1 78 VAL H . . 4.130 2.994 2.816 3.135 . 0 0 "[ . 1 . 2]" 1
485 1 49 PHE HA 1 78 VAL HB . . 4.240 2.184 2.001 2.759 . 0 0 "[ . 1 . 2]" 1
486 1 49 PHE HA 1 78 VAL MG1 . . 4.360 3.508 3.268 3.989 . 0 0 "[ . 1 . 2]" 1
487 1 49 PHE HA 1 78 VAL QG . . 3.830 3.160 3.020 3.566 . 0 0 "[ . 1 . 2]" 1
488 1 49 PHE HA 1 78 VAL MG2 . . 4.360 3.608 3.351 4.018 . 0 0 "[ . 1 . 2]" 1
489 1 49 PHE HB2 1 50 LYS H . . 4.520 4.180 4.068 4.301 . 0 0 "[ . 1 . 2]" 1
490 1 49 PHE HB2 1 53 LEU MD1 . . 5.500 4.937 3.649 6.066 0.566 20 3 "[ . * 1 -. +]" 1
491 1 49 PHE HB2 1 53 LEU MD2 . . 5.500 5.080 3.761 6.175 0.675 6 4 "[* *.+- 1 . 2]" 1
492 1 49 PHE HB2 1 78 VAL H . . 4.620 4.804 4.507 5.047 0.427 14 0 "[ . 1 . 2]" 1
493 1 49 PHE HB3 1 53 LEU QD . . 4.460 2.858 2.618 3.084 . 0 0 "[ . 1 . 2]" 1
494 1 49 PHE QD 1 50 LYS H . . 4.130 3.202 2.562 3.672 . 0 0 "[ . 1 . 2]" 1
495 1 49 PHE QD 1 53 LEU HA . . 4.410 3.937 3.704 4.160 . 0 0 "[ . 1 . 2]" 1
496 1 49 PHE QD 1 53 LEU QB . . 4.230 3.852 3.494 3.988 . 0 0 "[ . 1 . 2]" 1
497 1 49 PHE QD 1 53 LEU MD1 . . 4.490 3.028 1.915 4.613 0.123 8 0 "[ . 1 . 2]" 1
498 1 49 PHE QD 1 53 LEU QD . . 3.810 1.975 1.913 2.071 . 0 0 "[ . 1 . 2]" 1
499 1 49 PHE QD 1 53 LEU MD2 . . 4.490 3.224 1.934 4.575 0.085 10 0 "[ . 1 . 2]" 1
500 1 49 PHE QD 1 56 LEU QD . . 4.620 3.699 3.420 4.046 . 0 0 "[ . 1 . 2]" 1
501 1 49 PHE QD 1 78 VAL H . . 4.470 4.677 4.186 4.878 0.408 18 0 "[ . 1 . 2]" 1
502 1 49 PHE QD 1 78 VAL HB . . 4.070 2.553 2.196 2.819 . 0 0 "[ . 1 . 2]" 1
503 1 49 PHE QD 1 78 VAL QG . . 3.420 2.288 2.024 2.832 . 0 0 "[ . 1 . 2]" 1
504 1 49 PHE QE 1 51 GLY HA2 . . 4.660 4.229 3.961 4.463 . 0 0 "[ . 1 . 2]" 1
505 1 49 PHE QE 1 51 GLY QA . . 4.070 2.911 2.667 3.071 . 0 0 "[ . 1 . 2]" 1
506 1 49 PHE QE 1 51 GLY HA3 . . 4.660 2.966 2.709 3.129 . 0 0 "[ . 1 . 2]" 1
507 1 49 PHE QE 1 53 LEU H . . 4.600 3.401 3.117 3.848 . 0 0 "[ . 1 . 2]" 1
508 1 49 PHE QE 1 53 LEU HA . . 3.880 2.990 2.714 3.227 . 0 0 "[ . 1 . 2]" 1
509 1 49 PHE QE 1 53 LEU QB . . 4.560 3.885 3.736 4.126 . 0 0 "[ . 1 . 2]" 1
510 1 49 PHE QE 1 53 LEU MD1 . . 4.990 3.940 3.116 4.861 . 0 0 "[ . 1 . 2]" 1
511 1 49 PHE QE 1 53 LEU QD . . 3.960 3.122 2.688 3.545 . 0 0 "[ . 1 . 2]" 1
512 1 49 PHE QE 1 53 LEU MD2 . . 4.990 3.959 2.707 5.055 0.065 12 0 "[ . 1 . 2]" 1
513 1 49 PHE QE 1 56 LEU MD1 . . 4.110 3.314 2.674 3.659 . 0 0 "[ . 1 . 2]" 1
514 1 49 PHE QE 1 56 LEU QD . . 3.550 2.827 2.474 3.038 . 0 0 "[ . 1 . 2]" 1
515 1 49 PHE QE 1 56 LEU MD2 . . 4.110 3.094 2.716 3.276 . 0 0 "[ . 1 . 2]" 1
516 1 49 PHE QE 1 62 VAL QG . . 3.980 2.466 1.932 2.874 . 0 0 "[ . 1 . 2]" 1
517 1 49 PHE QE 1 80 LEU H . . 4.250 3.417 2.577 4.149 . 0 0 "[ . 1 . 2]" 1
518 1 49 PHE QE 1 80 LEU MD1 . . 4.360 3.167 2.890 3.384 . 0 0 "[ . 1 . 2]" 1
519 1 49 PHE QE 1 80 LEU QD . . 3.780 2.878 2.684 3.005 . 0 0 "[ . 1 . 2]" 1
520 1 49 PHE QE 1 80 LEU MD2 . . 4.360 3.349 2.887 3.662 . 0 0 "[ . 1 . 2]" 1
521 1 49 PHE QE 1 80 LEU HG . . 4.660 2.153 2.003 2.388 . 0 0 "[ . 1 . 2]" 1
522 1 49 PHE HZ 1 56 LEU QD . . 4.210 2.638 2.233 2.908 . 0 0 "[ . 1 . 2]" 1
523 1 49 PHE HZ 1 80 LEU H . . 4.520 4.506 4.037 4.860 0.340 14 0 "[ . 1 . 2]" 1
524 1 49 PHE HZ 1 80 LEU MD1 . . 4.250 2.089 1.902 2.393 . 0 0 "[ . 1 . 2]" 1
525 1 49 PHE HZ 1 80 LEU MD2 . . 4.250 3.492 2.693 3.913 . 0 0 "[ . 1 . 2]" 1
526 1 49 PHE HZ 1 80 LEU HG . . 4.660 2.352 2.049 2.959 . 0 0 "[ . 1 . 2]" 1
527 1 50 LYS H 1 50 LYS HD2 . . 5.500 3.601 3.439 3.879 . 0 0 "[ . 1 . 2]" 1
528 1 50 LYS H 1 50 LYS HD3 . . 5.500 4.504 4.356 4.923 . 0 0 "[ . 1 . 2]" 1
529 1 50 LYS H 1 50 LYS HG2 . . 4.250 2.526 2.375 2.930 . 0 0 "[ . 1 . 2]" 1
530 1 50 LYS H 1 50 LYS QG . . 3.400 2.498 2.353 2.880 . 0 0 "[ . 1 . 2]" 1
531 1 50 LYS H 1 50 LYS HG3 . . 4.250 3.955 3.836 4.243 . 0 0 "[ . 1 . 2]" 1
532 1 50 LYS H 1 51 GLY H . . 4.680 3.728 3.607 3.847 . 0 0 "[ . 1 . 2]" 1
533 1 50 LYS H 1 78 VAL HB . . 4.250 3.553 3.140 4.074 . 0 0 "[ . 1 . 2]" 1
534 1 50 LYS H 1 78 VAL QG . . 4.850 3.760 3.474 4.207 . 0 0 "[ . 1 . 2]" 1
535 1 50 LYS HA 1 50 LYS QD . . 3.430 2.119 1.995 2.177 . 0 0 "[ . 1 . 2]" 1
536 1 50 LYS HA 1 50 LYS QG . . 3.530 3.080 3.000 3.118 . 0 0 "[ . 1 . 2]" 1
537 1 50 LYS HA 1 51 GLY H . . 3.430 2.345 2.317 2.358 . 0 0 "[ . 1 . 2]" 1
538 1 50 LYS QB 1 51 GLY H . . 4.170 3.827 3.805 3.842 . 0 0 "[ . 1 . 2]" 1
539 1 50 LYS QD 1 51 GLY H . . 4.050 4.249 4.146 4.313 0.263 12 0 "[ . 1 . 2]" 1
540 1 50 LYS QE 1 50 LYS QG . . 3.330 2.357 2.208 2.807 . 0 0 "[ . 1 . 2]" 1
541 1 51 GLY H 1 52 ASP H . . 5.500 4.122 3.943 4.381 . 0 0 "[ . 1 . 2]" 1
542 1 52 ASP HA 1 53 LEU H . . 3.480 2.204 2.139 2.244 . 0 0 "[ . 1 . 2]" 1
543 1 52 ASP QB 1 53 LEU H . . 4.030 3.626 3.387 3.739 . 0 0 "[ . 1 . 2]" 1
544 1 52 ASP QB 1 54 GLU H . . 4.570 3.187 2.900 3.459 . 0 0 "[ . 1 . 2]" 1
545 1 52 ASP QB 1 55 THR MG . . 4.270 3.689 3.479 3.831 . 0 0 "[ . 1 . 2]" 1
546 1 52 ASP HB2 1 53 LEU H . . 4.600 4.393 4.299 4.486 . 0 0 "[ . 1 . 2]" 1
547 1 52 ASP HB3 1 53 LEU H . . 4.600 3.870 3.537 4.040 . 0 0 "[ . 1 . 2]" 1
548 1 53 LEU H 1 53 LEU HB2 . . 3.530 2.099 2.048 2.216 . 0 0 "[ . 1 . 2]" 1
549 1 53 LEU H 1 53 LEU QB . . 3.080 2.067 2.026 2.159 . 0 0 "[ . 1 . 2]" 1
550 1 53 LEU H 1 53 LEU HB3 . . 3.530 3.130 2.983 3.252 . 0 0 "[ . 1 . 2]" 1
551 1 53 LEU H 1 53 LEU HG . . 4.680 4.215 3.888 4.588 . 0 0 "[ . 1 . 2]" 1
552 1 53 LEU H 1 54 GLU H . . 3.850 2.518 2.323 2.632 . 0 0 "[ . 1 . 2]" 1
553 1 53 LEU HA 1 53 LEU MD1 . . 4.150 2.838 2.078 3.416 . 0 0 "[ . 1 . 2]" 1
554 1 53 LEU HA 1 53 LEU QD . . 3.330 2.475 1.852 2.940 . 0 0 "[ . 1 . 2]" 1
555 1 53 LEU HA 1 53 LEU MD2 . . 4.150 2.739 2.001 3.474 . 0 0 "[ . 1 . 2]" 1
556 1 53 LEU HA 1 56 LEU H . . 4.030 5.299 5.056 5.790 1.760 16 20 [*********-*****+****] 1
557 1 53 LEU HA 1 56 LEU QB . . 4.390 3.312 3.131 3.633 . 0 0 "[ . 1 . 2]" 1
558 1 53 LEU QB 1 53 LEU QD . . 2.870 1.851 1.716 2.065 . 0 0 "[ . 1 . 2]" 1
559 1 53 LEU QB 1 54 GLU H . . 3.570 3.068 2.936 3.217 . 0 0 "[ . 1 . 2]" 1
560 1 53 LEU QD 1 55 THR H . . 4.910 5.361 4.932 5.648 0.738 12 11 "[-* **** **+ . **2]" 1
561 1 53 LEU QD 1 56 LEU H . . 4.490 5.778 5.160 6.105 1.615 12 20 [***********+**-*****] 1
562 1 53 LEU QD 1 56 LEU QD . . 3.330 3.461 3.104 3.672 0.342 4 0 "[ . 1 . 2]" 1
563 1 54 GLU H 1 54 GLU HB2 . . 3.830 3.617 3.604 3.644 . 0 0 "[ . 1 . 2]" 1
564 1 54 GLU H 1 54 GLU QB . . 3.170 2.651 2.599 2.703 . 0 0 "[ . 1 . 2]" 1
565 1 54 GLU H 1 54 GLU HB3 . . 3.830 2.726 2.662 2.787 . 0 0 "[ . 1 . 2]" 1
566 1 54 GLU H 1 54 GLU HG2 . . 4.000 1.958 1.949 2.039 . 0 0 "[ . 1 . 2]" 1
567 1 54 GLU H 1 54 GLU QG . . 3.430 1.942 1.927 2.025 . 0 0 "[ . 1 . 2]" 1
568 1 54 GLU H 1 54 GLU HG3 . . 4.000 3.275 3.043 3.536 . 0 0 "[ . 1 . 2]" 1
569 1 54 GLU H 1 55 THR H . . 3.700 2.409 2.299 2.463 . 0 0 "[ . 1 . 2]" 1
570 1 54 GLU H 1 55 THR HA . . 5.260 5.068 4.988 5.108 . 0 0 "[ . 1 . 2]" 1
571 1 54 GLU H 1 55 THR MG . . 4.680 4.380 4.304 4.399 . 0 0 "[ . 1 . 2]" 1
572 1 54 GLU H 1 56 LEU H . . 4.300 5.513 5.501 5.521 1.221 1 20 [+*-*****************] 1
573 1 54 GLU HA 1 54 GLU HG2 . . 4.000 3.669 3.579 3.734 . 0 0 "[ . 1 . 2]" 1
574 1 54 GLU HA 1 54 GLU QG . . 3.510 3.339 3.337 3.341 . 0 0 "[ . 1 . 2]" 1
575 1 54 GLU HA 1 54 GLU HG3 . . 4.000 3.856 3.759 3.999 . 0 0 "[ . 1 . 2]" 1
576 1 54 GLU HA 1 56 LEU H . . 4.520 5.109 4.959 5.175 0.655 15 15 "[**-***** *** + ***2]" 1
577 1 54 GLU QB 1 55 THR MG . . 3.870 3.045 2.919 3.354 . 0 0 "[ . 1 . 2]" 1
578 1 54 GLU QG 1 55 THR MG . . 4.070 1.981 1.933 2.103 . 0 0 "[ . 1 . 2]" 1
579 1 55 THR H 1 55 THR MG . . 3.780 2.820 2.767 2.911 . 0 0 "[ . 1 . 2]" 1
580 1 55 THR H 1 56 LEU H . . 3.250 3.796 3.749 3.912 0.662 20 12 "[* * . *** -***** +]" 1
581 1 55 THR HA 1 55 THR MG . . 2.840 2.382 2.273 2.427 . 0 0 "[ . 1 . 2]" 1
582 1 55 THR MG 1 56 LEU H . . 4.560 4.274 4.238 4.290 . 0 0 "[ . 1 . 2]" 1
583 1 56 LEU H 1 56 LEU HB2 . . 3.570 3.371 3.267 3.457 . 0 0 "[ . 1 . 2]" 1
584 1 56 LEU H 1 56 LEU QB . . 3.060 2.618 2.424 2.791 . 0 0 "[ . 1 . 2]" 1
585 1 56 LEU H 1 56 LEU HB3 . . 3.570 2.733 2.495 2.952 . 0 0 "[ . 1 . 2]" 1
586 1 56 LEU H 1 56 LEU MD1 . . 4.360 4.435 4.281 4.600 0.240 13 0 "[ . 1 . 2]" 1
587 1 56 LEU H 1 56 LEU QD . . 3.800 3.995 3.892 4.094 0.294 13 0 "[ . 1 . 2]" 1
588 1 56 LEU H 1 56 LEU MD2 . . 4.360 4.541 4.470 4.655 0.295 16 0 "[ . 1 . 2]" 1
589 1 56 LEU H 1 56 LEU HG . . 4.650 4.383 4.222 4.532 . 0 0 "[ . 1 . 2]" 1
590 1 56 LEU H 1 57 GLN H . . 4.670 3.063 1.897 3.640 . 0 0 "[ . 1 . 2]" 1
591 1 56 LEU H 1 80 LEU QD . . 4.840 5.533 5.397 5.689 0.849 8 20 [*******+-***********] 1
592 1 56 LEU HA 1 56 LEU MD1 . . 4.360 2.259 2.106 2.486 . 0 0 "[ . 1 . 2]" 1
593 1 56 LEU HA 1 56 LEU QD . . 3.350 2.245 2.097 2.462 . 0 0 "[ . 1 . 2]" 1
594 1 56 LEU HA 1 56 LEU MD2 . . 4.360 3.932 3.876 3.964 . 0 0 "[ . 1 . 2]" 1
595 1 56 LEU HA 1 80 LEU QD . . 4.330 3.610 3.390 3.788 . 0 0 "[ . 1 . 2]" 1
596 1 56 LEU QD 1 57 GLN H . . 4.010 3.658 3.356 3.988 . 0 0 "[ . 1 . 2]" 1
597 1 56 LEU QD 1 60 ASP QB . . 3.570 2.081 1.849 2.647 . 0 0 "[ . 1 . 2]" 1
598 1 56 LEU QD 1 80 LEU QB . . 4.530 4.267 3.960 4.643 0.113 8 0 "[ . 1 . 2]" 1
599 1 56 LEU QD 1 80 LEU QD . . 3.110 1.988 1.775 2.305 . 0 0 "[ . 1 . 2]" 1
600 1 56 LEU HG 1 57 GLN H . . 4.660 3.904 3.394 4.362 . 0 0 "[ . 1 . 2]" 1
601 1 57 GLN H 1 57 GLN HG2 . . 5.390 3.735 2.060 5.101 . 0 0 "[ . 1 . 2]" 1
602 1 57 GLN H 1 57 GLN QG . . 4.600 3.127 1.990 4.021 . 0 0 "[ . 1 . 2]" 1
603 1 57 GLN H 1 57 GLN HG3 . . 5.390 3.410 2.214 4.467 . 0 0 "[ . 1 . 2]" 1
604 1 57 GLN HA 1 57 GLN QG . . 3.590 2.684 2.042 3.306 . 0 0 "[ . 1 . 2]" 1
605 1 58 PRO QB 1 59 GLY H . . 4.050 3.113 2.858 3.516 . 0 0 "[ . 1 . 2]" 1
606 1 58 PRO QG 1 59 GLY H . . 4.370 2.271 1.941 2.852 . 0 0 "[ . 1 . 2]" 1
607 1 59 GLY H 1 60 ASP H . . 4.430 2.772 2.075 3.630 . 0 0 "[ . 1 . 2]" 1
608 1 60 ASP QB 1 80 LEU QD . . 3.140 1.953 1.857 2.142 . 0 0 "[ . 1 . 2]" 1
609 1 60 ASP HB2 1 80 LEU MD1 . . 4.250 4.093 3.738 4.297 0.047 11 0 "[ . 1 . 2]" 1
610 1 60 ASP HB2 1 80 LEU MD2 . . 4.250 2.722 2.319 3.159 . 0 0 "[ . 1 . 2]" 1
611 1 60 ASP HB3 1 80 LEU MD1 . . 4.250 3.833 3.552 4.139 . 0 0 "[ . 1 . 2]" 1
612 1 60 ASP HB3 1 80 LEU MD2 . . 4.250 2.041 1.906 2.567 . 0 0 "[ . 1 . 2]" 1
613 1 61 ASP H 1 62 VAL H . . 5.400 4.597 4.571 4.632 . 0 0 "[ . 1 . 2]" 1
614 1 61 ASP HA 1 62 VAL H . . 3.080 2.216 2.166 2.288 . 0 0 "[ . 1 . 2]" 1
615 1 61 ASP HA 1 62 VAL MG1 . . 5.380 3.742 3.452 3.889 . 0 0 "[ . 1 . 2]" 1
616 1 61 ASP HA 1 62 VAL QG . . 4.390 3.211 3.135 3.294 . 0 0 "[ . 1 . 2]" 1
617 1 61 ASP HA 1 62 VAL MG2 . . 5.380 3.506 3.360 3.646 . 0 0 "[ . 1 . 2]" 1
618 1 61 ASP HA 1 81 LEU QD . . 4.490 3.589 3.380 3.845 . 0 0 "[ . 1 . 2]" 1
619 1 61 ASP QB 1 62 VAL H . . 3.620 2.900 2.681 3.091 . 0 0 "[ . 1 . 2]" 1
620 1 61 ASP QB 1 81 LEU H . . 4.760 3.536 3.431 3.707 . 0 0 "[ . 1 . 2]" 1
621 1 61 ASP QB 1 81 LEU QB . . 3.630 1.940 1.902 2.071 . 0 0 "[ . 1 . 2]" 1
622 1 61 ASP QB 1 81 LEU QD . . 3.460 1.927 1.874 2.021 . 0 0 "[ . 1 . 2]" 1
623 1 61 ASP HB2 1 62 VAL H . . 4.210 3.987 3.910 4.070 . 0 0 "[ . 1 . 2]" 1
624 1 61 ASP HB2 1 81 LEU HB2 . . 4.930 2.065 2.001 2.313 . 0 0 "[ . 1 . 2]" 1
625 1 61 ASP HB2 1 81 LEU HB3 . . 4.930 2.957 2.857 3.087 . 0 0 "[ . 1 . 2]" 1
626 1 61 ASP HB2 1 81 LEU QD . . 4.000 2.812 2.614 2.942 . 0 0 "[ . 1 . 2]" 1
627 1 61 ASP HB3 1 62 VAL H . . 4.210 2.981 2.731 3.203 . 0 0 "[ . 1 . 2]" 1
628 1 61 ASP HB3 1 81 LEU HB2 . . 4.930 2.572 2.387 2.787 . 0 0 "[ . 1 . 2]" 1
629 1 61 ASP HB3 1 81 LEU HB3 . . 4.930 3.453 3.326 3.610 . 0 0 "[ . 1 . 2]" 1
630 1 61 ASP HB3 1 81 LEU QD . . 4.000 1.963 1.906 2.059 . 0 0 "[ . 1 . 2]" 1
631 1 62 VAL H 1 62 VAL MG1 . . 4.060 3.132 3.000 3.228 . 0 0 "[ . 1 . 2]" 1
632 1 62 VAL H 1 62 VAL QG . . 3.210 2.194 2.020 2.293 . 0 0 "[ . 1 . 2]" 1
633 1 62 VAL H 1 62 VAL MG2 . . 4.060 2.242 2.049 2.362 . 0 0 "[ . 1 . 2]" 1
634 1 62 VAL H 1 81 LEU QD . . 3.750 2.729 2.578 2.874 . 0 0 "[ . 1 . 2]" 1
635 1 62 VAL HA 1 63 GLU H . . 3.390 2.333 2.250 2.436 . 0 0 "[ . 1 . 2]" 1
636 1 62 VAL HA 1 80 LEU HA . . 4.070 2.316 2.232 2.381 . 0 0 "[ . 1 . 2]" 1
637 1 62 VAL HA 1 81 LEU H . . 3.750 2.431 2.083 2.686 . 0 0 "[ . 1 . 2]" 1
638 1 62 VAL HA 1 81 LEU QD . . 4.240 3.324 3.238 3.413 . 0 0 "[ . 1 . 2]" 1
639 1 62 VAL HA 1 81 LEU HG . . 4.490 2.743 2.647 2.865 . 0 0 "[ . 1 . 2]" 1
640 1 62 VAL HB 1 63 GLU H . . 3.470 2.562 2.317 2.801 . 0 0 "[ . 1 . 2]" 1
641 1 62 VAL HB 1 79 ARG H . . 4.350 4.045 3.834 4.242 . 0 0 "[ . 1 . 2]" 1
642 1 62 VAL QG 1 64 PHE QD . . 3.810 3.085 2.652 3.266 . 0 0 "[ . 1 . 2]" 1
643 1 62 VAL QG 1 64 PHE QE . . 4.050 3.535 3.068 3.811 . 0 0 "[ . 1 . 2]" 1
644 1 62 VAL QG 1 80 LEU HA . . 3.580 2.133 1.962 2.469 . 0 0 "[ . 1 . 2]" 1
645 1 62 VAL QG 1 80 LEU QD . . 3.970 1.914 1.851 2.334 . 0 0 "[ . 1 . 2]" 1
646 1 62 VAL QG 1 81 LEU H . . 3.900 3.247 3.104 3.368 . 0 0 "[ . 1 . 2]" 1
647 1 62 VAL MG1 1 63 GLU H . . 4.000 3.590 3.484 3.681 . 0 0 "[ . 1 . 2]" 1
648 1 62 VAL MG2 1 63 GLU H . . 4.000 3.675 3.314 3.843 . 0 0 "[ . 1 . 2]" 1
649 1 63 GLU H 1 63 GLU QB . . 3.620 2.498 2.423 2.611 . 0 0 "[ . 1 . 2]" 1
650 1 63 GLU H 1 63 GLU HG2 . . 5.180 4.572 4.440 4.704 . 0 0 "[ . 1 . 2]" 1
651 1 63 GLU H 1 63 GLU QG . . 4.470 4.124 4.047 4.230 . 0 0 "[ . 1 . 2]" 1
652 1 63 GLU H 1 63 GLU HG3 . . 5.180 4.707 4.505 4.985 . 0 0 "[ . 1 . 2]" 1
653 1 63 GLU H 1 64 PHE H . . 4.770 4.486 4.423 4.519 . 0 0 "[ . 1 . 2]" 1
654 1 63 GLU H 1 78 VAL QG . . 4.460 3.062 2.801 3.222 . 0 0 "[ . 1 . 2]" 1
655 1 63 GLU H 1 79 ARG H . . 4.030 2.997 2.844 3.273 . 0 0 "[ . 1 . 2]" 1
656 1 63 GLU H 1 80 LEU HA . . 3.940 3.520 3.426 3.678 . 0 0 "[ . 1 . 2]" 1
657 1 63 GLU H 1 81 LEU H . . 5.090 4.206 3.906 4.416 . 0 0 "[ . 1 . 2]" 1
658 1 63 GLU H 1 81 LEU QD . . 4.170 3.648 3.463 3.797 . 0 0 "[ . 1 . 2]" 1
659 1 63 GLU H 1 81 LEU HG . . 4.400 3.082 2.823 3.284 . 0 0 "[ . 1 . 2]" 1
660 1 63 GLU HA 1 64 PHE H . . 3.260 2.303 2.222 2.417 . 0 0 "[ . 1 . 2]" 1
661 1 63 GLU QB 1 64 PHE H . . 3.770 3.359 3.063 3.570 . 0 0 "[ . 1 . 2]" 1
662 1 63 GLU QB 1 79 ARG H . . 4.790 3.358 3.165 3.731 . 0 0 "[ . 1 . 2]" 1
663 1 63 GLU QB 1 81 LEU QD . . 4.660 2.148 1.921 2.377 . 0 0 "[ . 1 . 2]" 1
664 1 63 GLU QB 1 81 LEU HG . . 4.000 2.448 2.302 2.669 . 0 0 "[ . 1 . 2]" 1
665 1 63 GLU HB2 1 79 ARG H . . 5.500 4.733 4.375 5.296 . 0 0 "[ . 1 . 2]" 1
666 1 63 GLU HB3 1 79 ARG H . . 5.500 3.436 3.230 3.814 . 0 0 "[ . 1 . 2]" 1
667 1 63 GLU QG 1 64 PHE H . . 4.070 2.121 1.961 2.400 . 0 0 "[ . 1 . 2]" 1
668 1 63 GLU QG 1 81 LEU QD . . 4.370 2.838 2.377 3.329 . 0 0 "[ . 1 . 2]" 1
669 1 64 PHE H 1 64 PHE QD . . 3.830 3.189 2.803 3.444 . 0 0 "[ . 1 . 2]" 1
670 1 64 PHE H 1 64 PHE QE . . 4.680 4.406 4.061 4.637 . 0 0 "[ . 1 . 2]" 1
671 1 64 PHE H 1 65 THR H . . 5.140 4.379 4.345 4.415 . 0 0 "[ . 1 . 2]" 1
672 1 64 PHE H 1 75 ALA MB . . 5.370 5.098 4.777 5.437 0.067 20 0 "[ . 1 . 2]" 1
673 1 64 PHE H 1 78 VAL HA . . 5.500 5.173 4.977 5.353 . 0 0 "[ . 1 . 2]" 1
674 1 64 PHE HA 1 78 VAL HA . . 4.520 3.020 2.668 3.311 . 0 0 "[ . 1 . 2]" 1
675 1 64 PHE HA 1 78 VAL MG1 . . 5.050 4.008 3.397 4.244 . 0 0 "[ . 1 . 2]" 1
676 1 64 PHE HA 1 78 VAL QG . . 4.260 3.354 2.819 3.628 . 0 0 "[ . 1 . 2]" 1
677 1 64 PHE HA 1 78 VAL MG2 . . 5.050 3.603 3.010 3.974 . 0 0 "[ . 1 . 2]" 1
678 1 64 PHE HA 1 79 ARG H . . 4.460 3.863 3.532 4.166 . 0 0 "[ . 1 . 2]" 1
679 1 64 PHE QB 1 65 THR H . . 3.500 2.288 2.061 2.456 . 0 0 "[ . 1 . 2]" 1
680 1 64 PHE QB 1 75 ALA MB . . 3.840 1.955 1.808 2.367 . 0 0 "[ . 1 . 2]" 1
681 1 64 PHE QB 1 76 THR H . . 4.260 3.552 3.276 3.968 . 0 0 "[ . 1 . 2]" 1
682 1 64 PHE QB 1 78 VAL QG . . 3.340 2.278 2.059 2.509 . 0 0 "[ . 1 . 2]" 1
683 1 64 PHE QD 1 65 THR H . . 4.060 3.334 3.152 3.578 . 0 0 "[ . 1 . 2]" 1
684 1 64 PHE QD 1 66 ILE MD . . 4.360 2.349 1.975 2.745 . 0 0 "[ . 1 . 2]" 1
685 1 64 PHE QD 1 66 ILE HG12 . . 4.490 3.312 2.777 3.969 . 0 0 "[ . 1 . 2]" 1
686 1 64 PHE QD 1 66 ILE QG . . 3.940 2.761 2.312 3.127 . 0 0 "[ . 1 . 2]" 1
687 1 64 PHE QD 1 66 ILE HG13 . . 4.490 3.629 2.333 4.408 . 0 0 "[ . 1 . 2]" 1
688 1 64 PHE QD 1 75 ALA MB . . 3.880 2.595 2.158 2.931 . 0 0 "[ . 1 . 2]" 1
689 1 64 PHE QD 1 76 THR H . . 5.020 4.820 4.248 5.175 0.155 17 0 "[ . 1 . 2]" 1
690 1 64 PHE QD 1 78 VAL MG1 . . 4.360 3.447 2.864 3.853 . 0 0 "[ . 1 . 2]" 1
691 1 64 PHE QD 1 78 VAL QG . . 3.780 3.168 2.708 3.557 . 0 0 "[ . 1 . 2]" 1
692 1 64 PHE QD 1 78 VAL MG2 . . 4.360 3.702 3.168 4.177 . 0 0 "[ . 1 . 2]" 1
693 1 64 PHE QE 1 66 ILE MD . . 3.630 2.015 1.906 2.114 . 0 0 "[ . 1 . 2]" 1
694 1 64 PHE QE 1 66 ILE HG12 . . 4.380 3.051 2.648 3.442 . 0 0 "[ . 1 . 2]" 1
695 1 64 PHE QE 1 66 ILE QG . . 3.840 2.751 2.475 2.956 . 0 0 "[ . 1 . 2]" 1
696 1 64 PHE QE 1 66 ILE HG13 . . 4.380 3.208 2.771 3.586 . 0 0 "[ . 1 . 2]" 1
697 1 64 PHE QE 1 66 ILE MG . . 4.660 4.765 4.609 4.913 0.253 2 0 "[ . 1 . 2]" 1
698 1 64 PHE QE 1 75 ALA MB . . 4.360 3.792 3.160 4.113 . 0 0 "[ . 1 . 2]" 1
699 1 64 PHE HZ 1 66 ILE MD . . 4.240 3.883 3.630 3.996 . 0 0 "[ . 1 . 2]" 1
700 1 65 THR H 1 65 THR HB . . 3.700 2.801 2.666 3.038 . 0 0 "[ . 1 . 2]" 1
701 1 65 THR H 1 65 THR MG . . 4.360 3.732 2.089 3.948 . 0 0 "[ . 1 . 2]" 1
702 1 65 THR H 1 75 ALA MB . . 4.600 3.556 3.246 3.916 . 0 0 "[ . 1 . 2]" 1
703 1 65 THR H 1 76 THR H . . 4.060 3.286 2.794 3.714 . 0 0 "[ . 1 . 2]" 1
704 1 65 THR H 1 78 VAL QG . . 4.460 4.309 3.824 4.551 0.091 3 0 "[ . 1 . 2]" 1
705 1 65 THR HB 1 67 LYS HE2 . . 5.500 3.524 2.476 5.104 . 0 0 "[ . 1 . 2]" 1
706 1 65 THR HB 1 67 LYS HE3 . . 5.500 3.873 2.177 4.975 . 0 0 "[ . 1 . 2]" 1
707 1 65 THR HB 1 76 THR H . . 4.600 4.619 3.924 5.118 0.518 14 1 "[ . 1 +. 2]" 1
708 1 65 THR MG 1 66 ILE H . . 3.790 2.925 2.460 3.652 . 0 0 "[ . 1 . 2]" 1
709 1 65 THR MG 1 66 ILE MD . . 4.250 4.545 3.891 4.982 0.732 17 5 "[* * . - . + *]" 1
710 1 65 THR MG 1 67 LYS HA . . 4.510 4.169 3.759 4.494 . 0 0 "[ . 1 . 2]" 1
711 1 65 THR MG 1 67 LYS HE2 . . 4.140 2.420 1.914 3.800 . 0 0 "[ . 1 . 2]" 1
712 1 65 THR MG 1 67 LYS QE . . 3.530 2.257 1.894 3.301 . 0 0 "[ . 1 . 2]" 1
713 1 65 THR MG 1 67 LYS HE3 . . 4.140 3.196 2.022 3.897 . 0 0 "[ . 1 . 2]" 1
714 1 65 THR MG 1 67 LYS QG . . 3.770 3.400 2.948 3.589 . 0 0 "[ . 1 . 2]" 1
715 1 66 ILE H 1 66 ILE HB . . 3.450 2.624 2.570 2.666 . 0 0 "[ . 1 . 2]" 1
716 1 66 ILE H 1 66 ILE MD . . 3.850 2.777 2.013 3.479 . 0 0 "[ . 1 . 2]" 1
717 1 66 ILE H 1 66 ILE QG . . 4.390 2.276 1.927 2.834 . 0 0 "[ . 1 . 2]" 1
718 1 66 ILE H 1 66 ILE MG . . 4.060 3.789 3.760 3.849 . 0 0 "[ . 1 . 2]" 1
719 1 66 ILE HA 1 66 ILE MG . . 3.390 2.244 2.198 2.355 . 0 0 "[ . 1 . 2]" 1
720 1 66 ILE HA 1 67 LYS H . . 3.120 2.158 2.139 2.211 . 0 0 "[ . 1 . 2]" 1
721 1 66 ILE HB 1 66 ILE MD . . 3.320 2.810 1.999 3.230 . 0 0 "[ . 1 . 2]" 1
722 1 66 ILE HB 1 67 LYS H . . 4.110 4.102 3.887 4.275 0.165 17 0 "[ . 1 . 2]" 1
723 1 66 ILE MG 1 67 LYS H . . 3.890 2.490 2.060 2.841 . 0 0 "[ . 1 . 2]" 1
724 1 66 ILE MG 1 67 LYS HA . . 3.830 3.954 3.748 4.221 0.391 19 0 "[ . 1 . 2]" 1
725 1 66 ILE MG 1 73 GLU HB2 . . 4.240 3.906 1.970 4.417 0.177 17 0 "[ . 1 . 2]" 1
726 1 66 ILE MG 1 73 GLU HB3 . . 3.040 2.721 2.445 2.866 . 0 0 "[ . 1 . 2]" 1
727 1 66 ILE MG 1 73 GLU HG2 . . 4.000 2.905 2.118 3.939 . 0 0 "[ . 1 . 2]" 1
728 1 66 ILE MG 1 73 GLU HG3 . . 4.000 3.722 2.853 3.940 . 0 0 "[ . 1 . 2]" 1
729 1 66 ILE MG 1 74 VAL H . . 3.970 3.972 3.001 4.476 0.506 14 1 "[ . 1 +. 2]" 1
730 1 66 ILE MG 1 74 VAL HA . . 4.490 5.287 4.430 5.830 1.340 19 16 "[*******- * ******+2]" 1
731 1 67 LYS H 1 67 LYS QD . . 3.830 3.536 2.745 3.716 . 0 0 "[ . 1 . 2]" 1
732 1 67 LYS H 1 67 LYS QG . . 4.570 2.722 2.231 3.788 . 0 0 "[ . 1 . 2]" 1
733 1 67 LYS HA 1 67 LYS HD2 . . 4.640 2.806 2.168 3.367 . 0 0 "[ . 1 . 2]" 1
734 1 67 LYS HA 1 67 LYS QD . . 4.060 2.333 2.007 3.247 . 0 0 "[ . 1 . 2]" 1
735 1 67 LYS HA 1 67 LYS HD3 . . 4.640 2.719 2.043 4.403 . 0 0 "[ . 1 . 2]" 1
736 1 68 ASP H 1 68 ASP HB2 . . 3.880 2.505 2.128 3.238 . 0 0 "[ . 1 . 2]" 1
737 1 68 ASP H 1 68 ASP QB . . 3.390 2.327 2.089 2.966 . 0 0 "[ . 1 . 2]" 1
738 1 68 ASP H 1 68 ASP HB3 . . 3.880 3.019 2.280 3.600 . 0 0 "[ . 1 . 2]" 1
739 1 68 ASP HA 1 69 ARG H . . 3.260 2.323 2.140 2.781 . 0 0 "[ . 1 . 2]" 1
740 1 68 ASP HA 1 72 LYS H . . 4.460 8.370 7.957 9.223 4.763 19 20 [***-**************+*] 1
741 1 68 ASP QB 1 69 ARG H . . 4.000 3.691 2.226 4.017 0.017 3 0 "[ . 1 . 2]" 1
742 1 68 ASP HB2 1 69 ARG H . . 4.660 4.435 3.554 4.661 0.001 7 0 "[ . 1 . 2]" 1
743 1 68 ASP HB3 1 69 ARG H . . 4.660 3.993 2.249 4.507 . 0 0 "[ . 1 . 2]" 1
744 1 69 ARG H 1 69 ARG HB2 . . 4.000 2.801 2.196 3.381 . 0 0 "[ . 1 . 2]" 1
745 1 69 ARG H 1 69 ARG HB3 . . 4.000 3.056 2.613 3.920 . 0 0 "[ . 1 . 2]" 1
746 1 69 ARG H 1 70 ASN H . . 4.530 4.146 3.382 4.574 0.044 7 0 "[ . 1 . 2]" 1
747 1 69 ARG H 1 72 LYS H . . 3.710 6.377 5.992 7.044 3.334 19 20 [***********-******+*] 1
748 1 69 ARG HA 1 69 ARG QD . . 4.390 2.796 2.078 3.614 . 0 0 "[ . 1 . 2]" 1
749 1 69 ARG QB 1 69 ARG QD . . 3.270 2.119 1.995 2.276 . 0 0 "[ . 1 . 2]" 1
750 1 69 ARG QB 1 74 VAL QG . . 3.430 3.141 2.613 3.536 0.106 16 0 "[ . 1 . 2]" 1
751 1 69 ARG HB2 1 74 VAL QG . . 4.240 3.473 2.872 3.852 . 0 0 "[ . 1 . 2]" 1
752 1 69 ARG HB3 1 74 VAL QG . . 4.240 3.607 3.004 4.206 . 0 0 "[ . 1 . 2]" 1
753 1 69 ARG QD 1 74 VAL QG . . 3.740 2.917 2.298 3.510 . 0 0 "[ . 1 . 2]" 1
754 1 69 ARG HD2 1 74 VAL QG . . 4.360 3.885 2.349 4.913 0.553 17 1 "[ . 1 . + 2]" 1
755 1 69 ARG HD3 1 74 VAL QG . . 4.360 3.196 2.320 3.903 . 0 0 "[ . 1 . 2]" 1
756 1 71 GLY H 1 72 LYS H . . 3.660 3.671 3.413 3.793 0.133 9 0 "[ . 1 . 2]" 1
757 1 72 LYS H 1 72 LYS HB2 . . 4.020 2.480 2.347 2.539 . 0 0 "[ . 1 . 2]" 1
758 1 72 LYS H 1 72 LYS QB . . 3.290 2.434 2.306 2.498 . 0 0 "[ . 1 . 2]" 1
759 1 72 LYS H 1 72 LYS HB3 . . 4.020 3.540 3.380 3.715 . 0 0 "[ . 1 . 2]" 1
760 1 72 LYS H 1 72 LYS HG2 . . 4.700 3.775 3.194 4.105 . 0 0 "[ . 1 . 2]" 1
761 1 72 LYS H 1 72 LYS QG . . 3.880 3.572 3.096 3.791 . 0 0 "[ . 1 . 2]" 1
762 1 72 LYS H 1 72 LYS HG3 . . 4.700 4.430 4.161 4.558 . 0 0 "[ . 1 . 2]" 1
763 1 72 LYS H 1 73 GLU H . . 4.460 4.452 4.253 4.503 0.043 11 0 "[ . 1 . 2]" 1
764 1 72 LYS HA 1 73 GLU H . . 3.020 2.349 2.145 2.492 . 0 0 "[ . 1 . 2]" 1
765 1 72 LYS QB 1 73 GLU H . . 3.690 2.699 2.323 3.611 . 0 0 "[ . 1 . 2]" 1
766 1 72 LYS QB 1 74 VAL QG . . 3.570 2.919 2.591 3.255 . 0 0 "[ . 1 . 2]" 1
767 1 72 LYS QD 1 73 GLU H . . 3.880 2.555 2.256 3.056 . 0 0 "[ . 1 . 2]" 1
768 1 72 LYS QD 1 74 VAL QG . . 4.060 3.993 3.211 4.564 0.504 2 1 "[ + . 1 . 2]" 1
769 1 72 LYS QE 1 72 LYS QG . . 3.280 2.136 1.981 2.361 . 0 0 "[ . 1 . 2]" 1
770 1 72 LYS QG 1 73 GLU H . . 4.810 3.864 3.512 4.269 . 0 0 "[ . 1 . 2]" 1
771 1 72 LYS QG 1 74 VAL QG . . 5.320 4.431 3.955 4.839 . 0 0 "[ . 1 . 2]" 1
772 1 72 LYS HG2 1 73 GLU H . . 5.500 4.135 3.622 4.634 . 0 0 "[ . 1 . 2]" 1
773 1 72 LYS HG3 1 73 GLU H . . 5.500 4.669 4.370 5.248 . 0 0 "[ . 1 . 2]" 1
774 1 73 GLU H 1 73 GLU HB2 . . 3.290 2.534 2.235 3.681 0.391 16 0 "[ . 1 . 2]" 1
775 1 73 GLU H 1 73 GLU HB3 . . 3.880 3.571 3.172 3.767 . 0 0 "[ . 1 . 2]" 1
776 1 73 GLU H 1 73 GLU QG . . 3.450 3.075 2.309 3.349 . 0 0 "[ . 1 . 2]" 1
777 1 73 GLU H 1 74 VAL H . . 4.460 4.305 4.065 4.360 . 0 0 "[ . 1 . 2]" 1
778 1 73 GLU H 1 74 VAL HA . . 5.290 5.084 4.796 5.183 . 0 0 "[ . 1 . 2]" 1
779 1 73 GLU H 1 74 VAL QG . . 4.210 3.970 3.799 4.116 . 0 0 "[ . 1 . 2]" 1
780 1 73 GLU HB2 1 74 VAL H . . 4.670 4.325 3.388 4.555 . 0 0 "[ . 1 . 2]" 1
781 1 73 GLU HB3 1 74 VAL H . . 4.210 3.693 3.516 4.174 . 0 0 "[ . 1 . 2]" 1
782 1 74 VAL H 1 74 VAL QG . . 3.700 2.002 1.900 2.136 . 0 0 "[ . 1 . 2]" 1
783 1 74 VAL HA 1 75 ALA H . . 3.480 2.234 2.173 2.439 . 0 0 "[ . 1 . 2]" 1
784 1 74 VAL HB 1 75 ALA H . . 3.680 2.869 2.297 3.114 . 0 0 "[ . 1 . 2]" 1
785 1 75 ALA H 1 75 ALA MB . . 3.290 2.155 2.102 2.236 . 0 0 "[ . 1 . 2]" 1
786 1 75 ALA HA 1 76 THR H . . 3.540 2.200 2.140 2.409 . 0 0 "[ . 1 . 2]" 1
787 1 75 ALA MB 1 76 THR H . . 3.700 2.987 2.410 3.289 . 0 0 "[ . 1 . 2]" 1
788 1 75 ALA MB 1 78 VAL MG1 . . 4.150 4.134 3.731 4.443 0.293 8 0 "[ . 1 . 2]" 1
789 1 75 ALA MB 1 78 VAL QG . . 3.230 2.417 2.044 2.716 . 0 0 "[ . 1 . 2]" 1
790 1 75 ALA MB 1 78 VAL MG2 . . 4.150 2.434 2.053 2.741 . 0 0 "[ . 1 . 2]" 1
791 1 76 THR H 1 76 THR MG . . 3.970 3.690 3.318 3.851 . 0 0 "[ . 1 . 2]" 1
792 1 76 THR H 1 78 VAL QG . . 4.490 4.153 3.861 4.325 . 0 0 "[ . 1 . 2]" 1
793 1 76 THR HB 1 77 ASP H . . 4.120 3.245 2.693 3.913 . 0 0 "[ . 1 . 2]" 1
794 1 76 THR MG 1 77 ASP H . . 4.240 2.739 2.027 3.246 . 0 0 "[ . 1 . 2]" 1
795 1 77 ASP H 1 78 VAL H . . 4.310 3.085 2.952 3.208 . 0 0 "[ . 1 . 2]" 1
796 1 77 ASP HA 1 78 VAL H . . 3.430 2.445 2.366 2.552 . 0 0 "[ . 1 . 2]" 1
797 1 77 ASP QB 1 78 VAL H . . 3.930 3.953 3.880 4.036 0.106 7 0 "[ . 1 . 2]" 1
798 1 77 ASP HB2 1 78 VAL H . . 4.570 4.577 4.416 4.663 0.093 9 0 "[ . 1 . 2]" 1
799 1 77 ASP HB3 1 78 VAL H . . 4.570 4.324 4.196 4.426 . 0 0 "[ . 1 . 2]" 1
800 1 78 VAL H 1 78 VAL HB . . 3.750 2.486 2.485 2.487 . 0 0 "[ . 1 . 2]" 1
801 1 78 VAL H 1 78 VAL QG . . 3.250 2.394 2.249 2.459 . 0 0 "[ . 1 . 2]" 1
802 1 78 VAL HA 1 79 ARG H . . 3.360 2.180 2.151 2.208 . 0 0 "[ . 1 . 2]" 1
803 1 78 VAL HB 1 79 ARG H . . 4.300 4.093 4.007 4.196 . 0 0 "[ . 1 . 2]" 1
804 1 78 VAL QG 1 79 ARG H . . 3.520 2.449 2.308 2.619 . 0 0 "[ . 1 . 2]" 1
805 1 79 ARG H 1 79 ARG QD . . 4.410 3.828 2.789 4.227 . 0 0 "[ . 1 . 2]" 1
806 1 79 ARG H 1 79 ARG HG2 . . 4.400 3.410 1.970 4.781 0.381 12 0 "[ . 1 . 2]" 1
807 1 79 ARG H 1 79 ARG QG . . 3.690 2.744 1.960 3.668 . 0 0 "[ . 1 . 2]" 1
808 1 79 ARG H 1 79 ARG HG3 . . 4.400 3.285 2.166 4.086 . 0 0 "[ . 1 . 2]" 1
809 1 79 ARG H 1 80 LEU H . . 4.520 4.304 4.244 4.366 . 0 0 "[ . 1 . 2]" 1
810 1 79 ARG QB 1 79 ARG QD . . 2.980 2.124 1.956 2.392 . 0 0 "[ . 1 . 2]" 1
811 1 79 ARG QB 1 80 LEU H . . 3.430 3.196 3.106 3.309 . 0 0 "[ . 1 . 2]" 1
812 1 79 ARG QB 1 80 LEU HA . . 4.730 4.749 4.627 4.914 0.184 1 0 "[ . 1 . 2]" 1
813 1 79 ARG HB2 1 79 ARG HD2 . . 4.070 2.956 2.228 3.583 . 0 0 "[ . 1 . 2]" 1
814 1 79 ARG HB2 1 79 ARG HD3 . . 4.070 2.816 2.018 4.207 0.137 10 0 "[ . 1 . 2]" 1
815 1 79 ARG HB2 1 80 LEU H . . 4.240 3.835 3.242 4.415 0.175 12 0 "[ . 1 . 2]" 1
816 1 79 ARG HB3 1 79 ARG HD2 . . 4.070 3.297 2.079 4.134 0.064 3 0 "[ . 1 . 2]" 1
817 1 79 ARG HB3 1 79 ARG HD3 . . 4.070 2.968 2.266 3.643 . 0 0 "[ . 1 . 2]" 1
818 1 79 ARG HB3 1 80 LEU H . . 4.240 3.701 3.206 4.236 . 0 0 "[ . 1 . 2]" 1
819 1 79 ARG QG 1 80 LEU HA . . 4.780 5.465 4.676 6.274 1.494 10 11 "[ ***.* * + * *.- * *]" 1
820 1 80 LEU H 1 80 LEU HB2 . . 3.780 2.109 2.081 2.169 . 0 0 "[ . 1 . 2]" 1
821 1 80 LEU H 1 80 LEU QB . . 3.050 2.091 2.063 2.149 . 0 0 "[ . 1 . 2]" 1
822 1 80 LEU H 1 80 LEU HB3 . . 3.780 3.429 3.393 3.485 . 0 0 "[ . 1 . 2]" 1
823 1 80 LEU H 1 80 LEU MD1 . . 4.330 3.702 3.466 3.871 . 0 0 "[ . 1 . 2]" 1
824 1 80 LEU H 1 80 LEU QD . . 3.770 3.433 3.304 3.507 . 0 0 "[ . 1 . 2]" 1
825 1 80 LEU H 1 80 LEU MD2 . . 4.330 4.074 3.939 4.162 . 0 0 "[ . 1 . 2]" 1
826 1 80 LEU H 1 80 LEU HG . . 3.940 3.153 2.941 3.258 . 0 0 "[ . 1 . 2]" 1
827 1 80 LEU H 1 81 LEU H . . 4.600 4.631 4.592 4.645 0.045 19 0 "[ . 1 . 2]" 1
828 1 80 LEU HA 1 80 LEU MD1 . . 3.840 3.788 3.771 3.810 . 0 0 "[ . 1 . 2]" 1
829 1 80 LEU HA 1 80 LEU QD . . 3.320 2.219 1.968 2.429 . 0 0 "[ . 1 . 2]" 1
830 1 80 LEU HA 1 80 LEU MD2 . . 3.840 2.235 1.975 2.459 . 0 0 "[ . 1 . 2]" 1
831 1 80 LEU HA 1 80 LEU HG . . 4.240 2.582 2.462 2.679 . 0 0 "[ . 1 . 2]" 1
832 1 80 LEU HA 1 81 LEU H . . 3.210 2.259 2.182 2.325 . 0 0 "[ . 1 . 2]" 1
833 1 80 LEU HA 1 81 LEU HG . . 4.670 4.258 4.193 4.353 . 0 0 "[ . 1 . 2]" 1
834 1 80 LEU QB 1 80 LEU QD . . 2.760 1.895 1.851 1.940 . 0 0 "[ . 1 . 2]" 1
835 1 80 LEU QB 1 81 LEU H . . 3.710 2.935 2.685 3.208 . 0 0 "[ . 1 . 2]" 1
836 1 80 LEU HB2 1 80 LEU MD1 . . 3.630 2.233 2.154 2.333 . 0 0 "[ . 1 . 2]" 1
837 1 80 LEU HB2 1 80 LEU MD2 . . 3.630 3.175 3.144 3.195 . 0 0 "[ . 1 . 2]" 1
838 1 80 LEU HB3 1 80 LEU MD1 . . 3.630 2.473 2.372 2.552 . 0 0 "[ . 1 . 2]" 1
839 1 80 LEU HB3 1 80 LEU MD2 . . 3.630 2.237 2.092 2.359 . 0 0 "[ . 1 . 2]" 1
840 1 80 LEU QD 1 81 LEU H . . 3.700 2.385 1.938 2.780 . 0 0 "[ . 1 . 2]" 1
841 1 80 LEU QD 1 81 LEU QD . . 4.330 4.503 4.363 4.648 0.318 17 0 "[ . 1 . 2]" 1
842 1 80 LEU MD1 1 81 LEU H . . 4.250 4.547 4.350 4.791 0.541 17 2 "[ - . 1 . + 2]" 1
843 1 80 LEU MD2 1 81 LEU H . . 4.250 2.394 1.941 2.798 . 0 0 "[ . 1 . 2]" 1
844 1 81 LEU H 1 81 LEU HB2 . . 3.630 2.262 2.219 2.310 . 0 0 "[ . 1 . 2]" 1
845 1 81 LEU H 1 81 LEU HB3 . . 3.630 3.538 3.518 3.561 . 0 0 "[ . 1 . 2]" 1
846 1 81 LEU H 1 81 LEU QD . . 3.850 3.515 3.429 3.585 . 0 0 "[ . 1 . 2]" 1
847 1 81 LEU H 1 81 LEU HG . . 4.360 3.131 2.966 3.258 . 0 0 "[ . 1 . 2]" 1
848 1 81 LEU HA 1 81 LEU QD . . 3.310 1.960 1.959 1.961 . 0 0 "[ . 1 . 2]" 1
849 1 81 LEU HA 1 82 PRO HD2 . . 3.480 2.486 2.485 2.487 . 0 0 "[ . 1 . 2]" 1
850 1 81 LEU HA 1 82 PRO HD3 . . 3.460 2.337 2.337 2.338 . 0 0 "[ . 1 . 2]" 1
851 1 81 LEU HA 1 82 PRO HG2 . . 4.770 4.583 4.582 4.584 . 0 0 "[ . 1 . 2]" 1
852 1 81 LEU HA 1 82 PRO QG . . 4.200 4.057 4.057 4.058 . 0 0 "[ . 1 . 2]" 1
853 1 81 LEU HA 1 82 PRO HG3 . . 4.770 4.526 4.526 4.527 . 0 0 "[ . 1 . 2]" 1
854 1 81 LEU QB 1 82 PRO HD2 . . 4.110 1.975 1.974 1.976 . 0 0 "[ . 1 . 2]" 1
855 1 81 LEU QD 1 82 PRO HD2 . . 3.880 1.911 1.911 1.912 . 0 0 "[ . 1 . 2]" 1
856 1 81 LEU QD 1 82 PRO HD3 . . 4.070 2.580 2.579 2.580 . 0 0 "[ . 1 . 2]" 1
857 1 81 LEU HG 1 82 PRO HD2 . . 4.470 3.974 3.973 3.974 . 0 0 "[ . 1 . 2]" 1
858 1 81 LEU HG 1 82 PRO HD3 . . 4.580 4.716 4.715 4.716 0.136 8 0 "[ . 1 . 2]" 1
859 1 82 PRO HA 1 83 GLN H . . 2.860 2.362 2.190 2.613 . 0 0 "[ . 1 . 2]" 1
860 1 82 PRO HA 1 83 GLN QB . . 4.240 4.177 3.827 4.449 0.209 7 0 "[ . 1 . 2]" 1
861 1 82 PRO HB2 1 83 GLN H . . 3.940 2.746 2.126 3.285 . 0 0 "[ . 1 . 2]" 1
862 1 82 PRO HB3 1 83 GLN H . . 3.940 3.534 3.230 3.839 . 0 0 "[ . 1 . 2]" 1
863 1 83 GLN H 1 83 GLN HB2 . . 3.680 2.747 2.075 3.603 . 0 0 "[ . 1 . 2]" 1
864 1 83 GLN H 1 83 GLN QB . . 3.080 2.574 2.055 2.951 . 0 0 "[ . 1 . 2]" 1
865 1 83 GLN H 1 83 GLN HB3 . . 3.680 3.397 2.666 3.808 0.128 5 0 "[ . 1 . 2]" 1
866 1 83 GLN H 1 83 GLN HG2 . . 5.500 4.289 2.019 5.188 . 0 0 "[ . 1 . 2]" 1
867 1 83 GLN H 1 83 GLN HG3 . . 5.500 4.293 2.770 5.034 . 0 0 "[ . 1 . 2]" 1
868 1 83 GLN HA 1 83 GLN QG . . 3.670 2.336 2.052 3.333 . 0 0 "[ . 1 . 2]" 1
869 1 84 GLY H 1 85 THR H . . 4.460 3.346 1.998 4.357 . 0 0 "[ . 1 . 2]" 1
870 1 85 THR H 1 85 THR MG . . 4.300 3.450 2.110 3.889 . 0 0 "[ . 1 . 2]" 1
871 1 85 THR H 1 86 VAL H . . 4.130 4.289 3.636 4.530 0.400 15 0 "[ . 1 . 2]" 1
872 1 85 THR HA 1 85 THR MG . . 3.350 2.177 1.974 3.204 . 0 0 "[ . 1 . 2]" 1
873 1 85 THR HA 1 86 VAL H . . 2.920 2.254 2.143 2.522 . 0 0 "[ . 1 . 2]" 1
874 1 85 THR HA 1 86 VAL QG . . 5.440 3.484 3.233 3.727 . 0 0 "[ . 1 . 2]" 1
875 1 85 THR HB 1 86 VAL H . . 4.580 3.486 2.516 4.080 . 0 0 "[ . 1 . 2]" 1
876 1 85 THR MG 1 86 VAL H . . 3.710 3.043 1.949 3.763 0.053 3 0 "[ . 1 . 2]" 1
877 1 85 THR MG 1 86 VAL HA . . 4.660 4.815 3.923 5.480 0.820 1 5 "[+ * . - *1 . *2]" 1
878 1 86 VAL H 1 86 VAL HB . . 3.130 2.671 2.578 2.840 . 0 0 "[ . 1 . 2]" 1
879 1 86 VAL H 1 86 VAL MG1 . . 4.250 3.848 3.766 3.938 . 0 0 "[ . 1 . 2]" 1
880 1 86 VAL H 1 86 VAL QG . . 3.140 2.425 1.950 2.799 . 0 0 "[ . 1 . 2]" 1
881 1 86 VAL H 1 86 VAL MG2 . . 4.250 2.455 1.957 2.865 . 0 0 "[ . 1 . 2]" 1
882 1 86 VAL HA 1 86 VAL MG1 . . 3.480 2.247 2.217 2.306 . 0 0 "[ . 1 . 2]" 1
883 1 86 VAL HA 1 86 VAL MG2 . . 3.480 2.405 2.341 2.459 . 0 0 "[ . 1 . 2]" 1
884 1 86 VAL HA 1 87 ILE H . . 2.580 2.252 2.241 2.272 . 0 0 "[ . 1 . 2]" 1
885 1 86 VAL HB 1 87 ILE H . . 3.920 3.803 3.744 3.830 . 0 0 "[ . 1 . 2]" 1
886 1 86 VAL QG 1 87 ILE H . . 3.520 2.102 1.921 2.195 . 0 0 "[ . 1 . 2]" 1
887 1 87 ILE H 1 87 ILE HB . . 3.280 2.631 2.526 2.746 . 0 0 "[ . 1 . 2]" 1
888 1 87 ILE H 1 87 ILE MD . . 4.680 3.201 1.998 4.026 . 0 0 "[ . 1 . 2]" 1
889 1 87 ILE H 1 87 ILE HG12 . . 3.710 3.549 2.477 4.070 0.360 17 0 "[ . 1 . 2]" 1
890 1 87 ILE H 1 87 ILE QG . . 3.200 2.626 2.239 3.030 . 0 0 "[ . 1 . 2]" 1
891 1 87 ILE H 1 87 ILE HG13 . . 3.710 3.025 2.263 4.068 0.358 19 0 "[ . 1 . 2]" 1
892 1 87 ILE H 1 87 ILE MG . . 4.240 3.838 3.792 3.896 . 0 0 "[ . 1 . 2]" 1
893 1 87 ILE H 1 88 PHE H . . 4.280 4.512 4.417 4.581 0.301 14 0 "[ . 1 . 2]" 1
894 1 87 ILE HA 1 87 ILE MD . . 4.070 3.326 2.040 3.880 . 0 0 "[ . 1 . 2]" 1
895 1 87 ILE HA 1 87 ILE QG . . 3.630 2.572 2.369 3.007 . 0 0 "[ . 1 . 2]" 1
896 1 87 ILE HA 1 87 ILE MG . . 3.330 2.286 2.217 2.367 . 0 0 "[ . 1 . 2]" 1
897 1 87 ILE HA 1 88 PHE H . . 3.040 2.216 2.188 2.246 . 0 0 "[ . 1 . 2]" 1
898 1 87 ILE HB 1 87 ILE MD . . 3.640 2.471 2.029 3.230 . 0 0 "[ . 1 . 2]" 1
899 1 87 ILE HB 1 88 PHE H . . 4.060 3.909 3.817 3.968 . 0 0 "[ . 1 . 2]" 1
900 1 87 ILE QG 1 88 PHE H . . 4.420 4.218 4.034 4.595 0.175 19 0 "[ . 1 . 2]" 1
901 1 87 ILE HG12 1 87 ILE MG . . 3.700 2.463 1.991 3.201 . 0 0 "[ . 1 . 2]" 1
902 1 87 ILE HG13 1 87 ILE MG . . 3.700 2.843 2.252 3.203 . 0 0 "[ . 1 . 2]" 1
903 1 87 ILE MG 1 88 PHE H . . 3.560 2.197 1.929 2.393 . 0 0 "[ . 1 . 2]" 1
904 1 88 PHE H 1 88 PHE HB2 . . 3.680 2.768 2.067 3.590 . 0 0 "[ . 1 . 2]" 1
905 1 88 PHE H 1 88 PHE QB . . 3.030 2.319 2.045 2.584 . 0 0 "[ . 1 . 2]" 1
906 1 88 PHE H 1 88 PHE HB3 . . 3.680 2.992 2.400 3.581 . 0 0 "[ . 1 . 2]" 1
907 1 88 PHE H 1 88 PHE QD . . 4.060 3.058 2.080 4.028 . 0 0 "[ . 1 . 2]" 1
908 1 88 PHE HA 1 88 PHE QD . . 4.490 3.133 2.593 3.728 . 0 0 "[ . 1 . 2]" 1
909 1 88 PHE HA 1 89 GLU H . . 3.390 2.527 2.178 3.399 0.009 18 0 "[ . 1 . 2]" 1
910 1 88 PHE HB2 1 89 GLU H . . 4.460 3.644 2.229 4.352 . 0 0 "[ . 1 . 2]" 1
911 1 88 PHE HB3 1 89 GLU H . . 4.460 3.574 2.500 4.222 . 0 0 "[ . 1 . 2]" 1
912 1 89 GLU H 1 89 GLU QB . . 3.320 2.709 2.237 3.247 . 0 0 "[ . 1 . 2]" 1
913 1 89 GLU H 1 89 GLU HG2 . . 5.500 3.920 2.221 5.047 . 0 0 "[ . 1 . 2]" 1
914 1 89 GLU H 1 89 GLU QG . . 4.810 3.306 2.202 4.198 . 0 0 "[ . 1 . 2]" 1
915 1 89 GLU H 1 89 GLU HG3 . . 5.500 3.771 2.298 4.587 . 0 0 "[ . 1 . 2]" 1
916 1 89 GLU QB 1 90 ASP H . . 3.700 2.632 2.027 3.613 . 0 0 "[ . 1 . 2]" 1
917 1 89 GLU HB2 1 90 ASP H . . 4.250 3.577 2.062 4.133 . 0 0 "[ . 1 . 2]" 1
918 1 89 GLU HB3 1 90 ASP H . . 4.250 2.892 2.044 4.139 . 0 0 "[ . 1 . 2]" 1
919 1 90 ASP H 1 91 ILE H . . 3.580 2.859 2.081 3.448 . 0 0 "[ . 1 . 2]" 1
920 1 90 ASP QB 1 91 ILE H . . 3.930 3.586 2.144 4.044 0.114 17 0 "[ . 1 . 2]" 1
921 1 91 ILE H 1 91 ILE HB . . 3.720 3.339 2.515 3.832 0.112 19 0 "[ . 1 . 2]" 1
922 1 91 ILE H 1 91 ILE MD . . 4.710 3.520 2.090 4.282 . 0 0 "[ . 1 . 2]" 1
923 1 91 ILE H 1 91 ILE HG12 . . 4.350 2.960 2.040 4.066 . 0 0 "[ . 1 . 2]" 1
924 1 91 ILE H 1 91 ILE QG . . 3.700 2.382 1.986 2.933 . 0 0 "[ . 1 . 2]" 1
925 1 91 ILE H 1 91 ILE HG13 . . 4.350 2.839 2.068 4.234 . 0 0 "[ . 1 . 2]" 1
926 1 91 ILE H 1 91 ILE MG . . 4.370 3.380 2.150 3.962 . 0 0 "[ . 1 . 2]" 1
927 1 91 ILE H 1 92 SER H . . 3.890 2.753 1.902 3.751 . 0 0 "[ . 1 . 2]" 1
928 1 91 ILE HB 1 92 SER H . . 4.520 3.833 2.174 4.429 . 0 0 "[ . 1 . 2]" 1
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