NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398667 |
1tnq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tnq
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 1068
_Distance_constraint_stats_list.Viol_count 1837
_Distance_constraint_stats_list.Viol_total 12385.522
_Distance_constraint_stats_list.Viol_max 1.267
_Distance_constraint_stats_list.Viol_rms 0.0607
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.1686
_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 5 ASP 0.013 0.010 33 0 "[ . 1 . 2 . 3 . 4]"
1 6 GLN 0.189 0.143 21 0 "[ . 1 . 2 . 3 . 4]"
1 7 GLN 11.438 0.770 22 3 "[ . 1 . 2 + . 3 .- *4]"
1 8 ALA 0.449 0.072 4 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLU 0.014 0.007 4 0 "[ . 1 . 2 . 3 . 4]"
1 10 ALA 53.662 1.015 23 30 "[** * ***1*****-** 2* +********* ** ***4]"
1 11 ARG 2.398 0.652 25 2 "[ . 1 . 2 - + 3 . 4]"
1 12 ALA 2.335 0.652 25 2 "[ . 1 . 2 - + 3 . 4]"
1 13 PHE 1.236 0.281 3 0 "[ . 1 . 2 . 3 . 4]"
1 14 LEU 4.508 0.719 35 2 "[ -. 1 . 2 . 3 + 4]"
1 15 SER 0.003 0.003 10 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 GLU 0.012 0.006 40 0 "[ . 1 . 2 . 3 . 4]"
1 18 MET 0.006 0.006 40 0 "[ . 1 . 2 . 3 . 4]"
1 19 ILE 3.559 0.801 29 1 "[ . 1 . 2 . +3 . 4]"
1 20 ALA 0.692 0.266 10 0 "[ . 1 . 2 . 3 . 4]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 PHE 3.783 0.801 29 1 "[ . 1 . 2 . +3 . 4]"
1 23 LYS 1.086 0.292 24 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ALA 4.329 0.775 20 2 "[ . -1 . + . 3 . 4]"
1 26 PHE 10.748 0.624 10 1 "[ . + . 2 . 3 . 4]"
1 27 ASP 0.006 0.002 22 0 "[ . 1 . 2 . 3 . 4]"
1 28 MET 4.604 0.775 20 2 "[ . -1 . + . 3 . 4]"
1 29 PHE 21.490 1.186 17 10 "[** . 1 .*+ *- * . * * * . 4]"
1 30 ASP 0.004 0.002 31 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 ASP 0.156 0.026 33 0 "[ . 1 . 2 . 3 . 4]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLY 0.002 0.001 2 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 0.041 0.006 24 0 "[ . 1 . 2 . 3 . 4]"
1 37 ILE 39.796 1.186 17 10 "[** . 1 .*+ *- * . * * * . 4]"
1 38 SER 21.953 0.839 25 18 "[ * . * *** 2*** + * *- ***** *]"
1 39 THR 76.361 1.267 36 40 [******************************-****+****]
1 40 LYS 0.086 0.022 34 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLU 0.878 0.355 20 0 "[ . 1 . 2 . 3 . 4]"
1 42 LEU 2.169 0.422 33 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 3.204 0.412 13 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 2.697 0.322 19 0 "[ . 1 . 2 . 3 . 4]"
1 45 VAL 8.427 0.322 19 0 "[ . 1 . 2 . 3 . 4]"
1 46 MET 0.007 0.003 40 0 "[ . 1 . 2 . 3 . 4]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 MET 1.024 0.171 29 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 0.013 0.007 37 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLY 0.019 0.013 24 0 "[ . 1 . 2 . 3 . 4]"
1 51 GLN 0.107 0.014 40 0 "[ . 1 . 2 . 3 . 4]"
1 52 ASN 2.501 0.200 35 0 "[ . 1 . 2 . 3 . 4]"
1 53 PRO 1.774 0.066 35 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 17.106 0.899 4 14 "[ *+** 1 * . 2 * ** * *-*** 4]"
1 55 LYS 24.341 0.899 4 21 "[ **+** 1** *.* * 2* * ** * * *-*** 4]"
1 56 GLU 9.366 0.829 34 8 "[ - . 1* *.* * 2* . * 3 +. 4]"
1 57 GLU 0.022 0.011 18 0 "[ . 1 . 2 . 3 . 4]"
1 58 LEU 9.239 0.739 10 2 "[ . + .- 2 . 3 . 4]"
1 59 ASP 27.518 1.010 39 34 "[*** ****** ******** ******* *-***** *+*]"
1 60 ALA 0.966 0.206 18 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 2.910 0.445 6 0 "[ . 1 . 2 . 3 . 4]"
1 62 ILE 49.842 1.267 36 37 "[-********1** ***************** ****+****]"
1 63 GLU 0.018 0.010 40 0 "[ . 1 . 2 . 3 . 4]"
1 64 GLU 0.009 0.004 20 0 "[ . 1 . 2 . 3 . 4]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 68 ASP 0.003 0.003 26 0 "[ . 1 . 2 . 3 . 4]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 SER 0.003 0.003 26 0 "[ . 1 . 2 . 3 . 4]"
1 71 GLY 0.105 0.018 33 0 "[ . 1 . 2 . 3 . 4]"
1 72 THR 16.100 0.839 25 18 "[ * . * *** 2*** + * *- ***** *]"
1 73 ILE 0.499 0.237 27 0 "[ . 1 . 2 . 3 . 4]"
1 74 ASP 0.433 0.116 38 0 "[ . 1 . 2 . 3 . 4]"
1 75 PHE 1.734 0.292 24 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 7.422 0.631 32 5 "[ . * .* 2 . 3 + *. -]"
1 77 GLU 0.704 0.220 6 0 "[ . 1 . 2 . 3 . 4]"
1 78 PHE 3.035 0.624 10 1 "[ . + . 2 . 3 . 4]"
1 79 LEU 0.409 0.331 24 0 "[ . 1 . 2 . 3 . 4]"
1 80 VAL 11.207 0.438 29 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 82 MET 1.668 0.217 18 0 "[ . 1 . 2 . 3 . 4]"
1 83 VAL 59.164 1.015 23 34 "[** * ***1*****-***2**+********* *******]"
1 84 ARG 12.558 0.785 27 14 "[ * * 1 * . * *2 *. +**-* ** *]"
1 85 GLN 0.006 0.002 10 0 "[ . 1 . 2 . 3 . 4]"
1 86 MET 6.738 0.547 22 1 "[ . 1 . 2 + . 3 . 4]"
1 87 LYS 0.257 0.088 30 0 "[ . 1 . 2 . 3 . 4]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 89 ASP 0.167 0.088 30 0 "[ . 1 . 2 . 3 . 4]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 ASP H 1 5 ASP HB3 4.110 . 4.670 3.194 2.346 3.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 5 ASP H 1 6 GLN H 4.750 . 4.750 2.929 2.262 4.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 5 ASP HA 1 6 GLN H 6.000 . 6.000 3.104 2.327 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 5 ASP HA 1 8 ALA H 4.410 3.100 4.410 3.577 3.098 4.420 0.010 33 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 5 ASP HA 1 8 ALA MB 4.700 . 4.700 2.565 1.869 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 5 ASP HB2 1 6 GLN H 6.000 . 6.000 3.969 2.146 4.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 5 ASP HB2 1 8 ALA H 6.000 . 7.700 5.307 3.299 6.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 5 ASP HB3 1 6 GLN H 4.000 . 6.000 4.003 1.909 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 5 ASP HB3 1 8 ALA H 6.000 . 7.700 5.350 3.386 6.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 6 GLN H 1 6 GLN HA 3.420 2.410 3.420 2.958 2.823 3.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 6 GLN H 1 6 GLN HE21 6.000 . 6.000 5.497 4.524 6.000 0.000 40 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 6 GLN H 1 6 GLN HG2 4.260 . 6.000 3.693 2.102 4.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 6 GLN H 1 7 GLN H 3.670 . 3.670 2.815 2.220 3.813 0.143 21 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 6 GLN H 1 7 GLN HE21 6.000 . 6.000 5.055 3.331 6.004 0.004 37 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 6 GLN H 1 80 VAL MG1 7.000 . 9.400 5.752 4.392 7.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 6 GLN H 1 80 VAL MG2 7.000 . 9.400 5.137 4.168 6.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 6 GLN HA 1 7 GLN H 6.000 . 6.000 3.419 2.339 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 6 GLN HA 1 9 GLU H 6.000 . 6.000 4.546 3.671 6.007 0.007 4 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 6 GLN HB2 1 6 GLN HE21 4.500 . 6.200 3.869 2.391 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 6 GLN HB2 1 80 VAL MG1 5.510 . 7.980 4.173 1.809 6.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 6 GLN HB2 1 80 VAL MG2 5.580 . 7.980 4.137 1.687 6.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 6 GLN HB3 1 6 GLN HE21 4.500 . 6.200 3.573 1.900 4.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 6 GLN HB3 1 80 VAL MG1 5.580 . 7.980 4.249 1.865 6.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 6 GLN HB3 1 80 VAL MG2 5.580 . 7.980 4.014 1.379 6.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 6 GLN HE21 1 77 GLU HG2 4.640 . 6.340 5.776 4.841 6.344 0.004 21 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 6 GLN HE21 1 77 GLU HG3 4.640 . 6.340 4.471 3.084 6.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 6 GLN HG2 1 80 VAL MG1 4.120 . 8.220 3.536 1.567 5.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 6 GLN HG2 1 80 VAL MG2 4.120 . 8.220 3.425 1.324 5.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 6 GLN HG3 1 80 VAL MG1 4.120 . 8.220 3.476 1.485 6.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 6 GLN HG3 1 80 VAL MG2 4.120 . 8.220 3.550 1.581 6.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 7 GLN H 1 7 GLN HA 3.420 2.410 3.420 2.980 2.475 3.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 7 GLN H 1 7 GLN QG 4.230 2.270 4.230 2.630 1.500 3.689 0.770 22 3 "[ . 1 . 2 + . 3 .- *4]" 1
33 1 7 GLN H 1 8 ALA H 3.290 . 3.290 2.427 1.900 2.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 7 GLN H 1 80 VAL MG1 4.630 . 7.030 4.734 3.536 5.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 7 GLN H 1 80 VAL MG2 4.630 . 7.030 3.502 2.737 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 7 GLN HA 1 8 ALA H 4.370 3.070 4.370 3.433 3.062 3.590 0.008 5 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 7 GLN HA 1 9 GLU H 6.000 . 6.000 4.145 3.423 5.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 7 GLN HA 1 10 ALA H 4.250 2.980 4.250 3.607 3.148 4.253 0.003 23 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 7 GLN HA 1 10 ALA MB 4.800 2.540 4.800 3.018 2.384 3.671 0.156 10 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 7 GLN HA 1 80 VAL MG1 4.300 . 6.700 3.942 2.141 4.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 7 GLN HA 1 80 VAL MG2 4.300 . 6.700 2.050 1.500 3.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 7 GLN HB2 1 8 ALA H 3.800 2.670 4.550 3.709 2.715 4.602 0.052 7 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 7 GLN HB3 1 8 ALA H 4.050 2.670 4.550 4.077 3.261 4.622 0.072 4 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 7 GLN HE21 1 7 GLN QG 4.470 2.440 4.470 2.371 2.124 2.758 0.316 2 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 8 ALA H 1 8 ALA HA 3.420 2.410 3.420 2.902 2.818 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 8 ALA H 1 8 ALA MB 3.950 2.070 3.950 2.325 2.311 2.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 8 ALA H 1 9 GLU H 3.670 . 3.670 2.698 2.243 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 8 ALA H 1 80 VAL MG1 7.000 . 9.400 5.953 4.254 7.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 8 ALA H 1 80 VAL MG2 7.000 . 9.400 4.475 3.846 5.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 8 ALA HA 1 9 GLU H 4.040 . 4.040 3.537 3.508 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 8 ALA HA 1 11 ARG H 6.000 . 6.000 3.979 3.585 4.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 8 ALA HA 1 11 ARG QB 5.360 . 5.360 3.110 2.587 4.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 8 ALA MB 1 9 GLU H 4.270 . 4.270 2.638 1.895 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 9 GLU H 1 9 GLU HG2 3.870 . 4.040 2.964 1.915 4.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 9 GLU H 1 9 GLU HG3 4.040 . 4.040 3.177 2.114 4.040 0.000 3 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 9 GLU H 1 10 ALA H 3.530 . 3.530 2.642 2.340 3.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 9 GLU HA 1 10 ALA H 6.000 . 6.000 3.560 3.514 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 9 GLU HA 1 12 ALA H 4.050 2.840 4.050 3.834 3.496 4.052 0.002 16 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 9 GLU HA 1 12 ALA MB 5.000 . 5.000 3.144 2.671 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 10 ALA H 1 10 ALA HA 3.420 2.410 3.420 2.928 2.846 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 10 ALA H 1 10 ALA MB 3.920 2.050 3.920 2.321 2.311 2.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 10 ALA H 1 80 VAL MG1 7.000 . 9.400 4.880 3.772 6.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 10 ALA H 1 80 VAL MG2 7.000 . 9.400 3.404 2.492 4.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 10 ALA HA 1 10 ALA MB 4.120 2.080 4.120 2.166 2.165 2.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 10 ALA HA 1 11 ARG H 6.000 . 6.000 3.511 3.469 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 10 ALA HA 1 13 PHE H 4.100 2.880 4.100 3.723 3.428 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 10 ALA HA 1 13 PHE HB2 4.250 2.030 4.310 3.488 2.690 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 10 ALA HA 1 13 PHE HB3 4.310 2.030 4.310 2.991 2.511 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 10 ALA HA 1 83 VAL QG 4.650 2.370 4.650 1.788 1.371 2.249 0.999 17 24 "[-* * ***1 * ** +* 2* ***** *3* ** ***4]" 1
70 1 10 ALA MB 1 11 ARG H 4.270 2.300 4.270 2.800 2.456 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 10 ALA MB 1 14 LEU MD1 6.780 . 6.780 2.862 2.274 4.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 10 ALA MB 1 14 LEU MD2 6.080 . 6.780 4.383 4.044 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 10 ALA MB 1 79 LEU HA 5.430 2.950 5.430 4.315 3.861 4.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 10 ALA MB 1 79 LEU MD1 6.270 . 8.670 4.020 1.720 5.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 10 ALA MB 1 79 LEU MD2 6.270 . 8.670 4.301 3.377 4.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 10 ALA MB 1 80 VAL H 7.000 . 7.000 3.524 3.062 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 10 ALA MB 1 80 VAL HA 4.020 2.240 4.020 2.068 1.802 2.392 0.438 29 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 10 ALA MB 1 80 VAL HB 5.460 2.970 5.460 3.931 2.826 4.601 0.144 6 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 10 ALA MB 1 80 VAL MG1 5.800 2.160 5.800 3.509 2.674 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 10 ALA MB 1 80 VAL MG2 5.250 2.160 5.800 2.280 1.741 2.786 0.419 36 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 10 ALA MB 1 83 VAL HB 5.070 . 5.070 2.530 2.004 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 10 ALA MB 1 83 VAL QG 5.550 2.370 5.610 1.898 1.355 2.575 1.015 23 21 "[** * * *1* * *-* 2 + ******** * * 4]" 1
83 1 11 ARG H 1 11 ARG HA 3.420 2.410 3.420 2.981 2.931 3.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 11 ARG H 1 11 ARG QB 3.890 2.030 3.890 2.310 2.134 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 11 ARG H 1 12 ALA H 3.290 . 3.290 2.528 2.361 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 11 ARG H 1 13 PHE H 3.930 . 3.930 3.882 3.720 3.939 0.009 37 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 11 ARG H 1 14 LEU MD1 7.000 . 9.400 4.575 4.045 6.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 11 ARG H 1 14 LEU MD2 7.000 . 9.400 6.615 5.804 6.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 11 ARG H 1 79 LEU MD1 7.000 . 9.400 5.423 3.534 7.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 11 ARG H 1 79 LEU MD2 7.000 . 9.400 6.450 4.755 7.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 11 ARG H 1 80 VAL MG1 7.000 . 9.400 6.508 5.407 7.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 11 ARG H 1 80 VAL MG2 7.000 . 9.400 4.653 4.104 5.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 11 ARG HA 1 12 ALA H 4.320 3.040 4.320 3.550 3.527 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 11 ARG HA 1 13 PHE H 6.000 . 6.000 4.269 4.002 4.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 11 ARG HA 1 14 LEU H 3.790 2.660 3.790 3.742 3.608 3.797 0.007 10 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 11 ARG HA 1 14 LEU MD1 5.690 . 8.090 3.229 2.163 4.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 11 ARG HA 1 14 LEU MD2 5.690 . 8.090 5.567 4.785 6.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 11 ARG HA 1 19 ILE MD 5.490 . 5.490 3.272 2.286 4.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 11 ARG QB 1 12 ALA H 4.650 2.570 4.650 2.658 1.918 3.453 0.652 25 2 "[ . 1 . 2 - + 3 . 4]" 1
100 1 12 ALA H 1 12 ALA HA 3.420 2.410 3.420 2.943 2.829 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 12 ALA H 1 12 ALA MB 3.840 . 3.840 2.339 2.335 2.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 12 ALA H 1 14 LEU H 6.000 . 6.000 4.352 3.911 4.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 12 ALA HA 1 12 ALA MB 4.120 2.080 4.120 2.164 2.163 2.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 12 ALA HA 1 13 PHE H 4.020 2.820 4.020 3.524 3.513 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 12 ALA HA 1 14 LEU H 6.000 . 6.000 4.711 4.277 5.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 12 ALA MB 1 13 PHE H 4.320 2.330 4.320 2.779 2.650 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 13 PHE H 1 13 PHE HA 3.420 2.410 3.420 2.940 2.877 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 13 PHE H 1 13 PHE HB2 3.110 2.180 3.110 2.549 2.285 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 13 PHE H 1 13 PHE HB3 3.110 2.180 3.110 2.605 2.229 2.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 13 PHE H 1 14 LEU H 3.020 . 3.020 2.629 2.425 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 13 PHE H 1 14 LEU HB2 6.000 . 7.700 5.542 4.967 6.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 13 PHE H 1 14 LEU HB3 6.000 . 7.700 6.351 6.124 6.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 13 PHE H 1 14 LEU MD1 7.000 . 9.400 4.670 3.747 5.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 13 PHE H 1 14 LEU MD2 7.000 . 9.400 5.540 4.271 5.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 13 PHE HA 1 13 PHE QD 3.720 2.040 5.870 2.593 1.759 3.281 0.281 3 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 13 PHE HA 1 14 LEU H 6.000 . 6.000 3.567 3.520 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 13 PHE HA 1 14 LEU HA 6.000 . 6.000 4.789 4.738 4.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 13 PHE HB2 1 13 PHE QD 3.870 2.080 6.020 2.557 2.323 2.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 13 PHE HB2 1 14 LEU H 3.450 . 5.150 3.751 3.487 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 13 PHE HB2 1 83 VAL QG 5.230 . 7.630 3.463 2.654 4.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 13 PHE HB2 1 86 MET ME 5.740 . 5.740 4.328 2.255 4.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 13 PHE HB3 1 13 PHE QD 3.790 2.080 5.940 2.609 2.323 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 13 PHE HB3 1 14 LEU H 3.450 . 5.150 2.505 2.102 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 13 PHE HB3 1 83 VAL QG 5.100 . 7.630 2.808 2.163 3.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 13 PHE HB3 1 86 MET ME 5.400 . 5.740 3.689 2.972 4.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 13 PHE QD 1 14 LEU MD1 4.750 . 6.900 4.372 3.405 5.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 13 PHE QD 1 14 LEU MD2 4.750 . 6.900 3.251 1.207 4.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 14 LEU H 1 14 LEU HA 3.420 2.410 3.420 3.048 2.954 3.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 14 LEU H 1 14 LEU MD1 4.610 2.530 4.830 3.075 1.811 3.980 0.719 35 2 "[ -. 1 . 2 . 3 + 4]" 1
130 1 14 LEU H 1 14 LEU MD2 4.830 2.530 4.830 3.752 2.087 4.013 0.443 9 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 14 LEU H 1 14 LEU HG 3.040 2.140 3.040 2.312 2.140 2.604 0.000 18 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 14 LEU HA 1 14 LEU MD1 5.060 . 5.060 4.001 3.666 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 14 LEU HA 1 14 LEU MD2 4.120 . 5.060 3.027 2.323 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 14 LEU HA 1 14 LEU HG 3.810 . 3.810 3.273 2.950 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 14 LEU HA 1 15 SER H 2.510 . 2.510 2.214 2.099 2.513 0.003 10 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 14 LEU HB2 1 15 SER H 3.400 . 5.100 3.690 2.613 4.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 14 LEU HB3 1 15 SER H 3.400 . 5.100 3.287 2.261 4.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 14 LEU MD1 1 15 SER H 7.000 . 7.000 4.944 4.347 5.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 14 LEU MD1 1 18 MET ME 8.000 . 10.400 5.916 4.197 7.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 14 LEU MD1 1 19 ILE HA 6.060 . 8.460 3.976 2.998 4.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 14 LEU MD1 1 22 PHE QB 6.010 . 8.410 4.935 3.951 5.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 14 LEU MD1 1 22 PHE QD 5.300 . 7.450 4.079 2.566 4.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 14 LEU MD1 1 22 PHE QE 4.600 . 6.750 3.784 2.013 4.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 14 LEU MD1 1 79 LEU MD1 6.130 . 10.930 2.922 1.580 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 14 LEU MD1 1 79 LEU MD2 6.130 . 10.930 2.317 1.066 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 14 LEU MD1 1 83 VAL HA 5.250 . 7.650 4.761 3.671 5.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 14 LEU MD1 1 86 MET ME 5.220 . 7.620 3.922 3.048 5.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 14 LEU MD2 1 15 SER H 4.470 . 7.000 4.472 3.740 5.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 14 LEU MD2 1 18 MET ME 8.000 . 10.400 4.262 2.296 6.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 14 LEU MD2 1 19 ILE HA 6.060 . 8.460 4.553 3.290 5.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 14 LEU MD2 1 22 PHE QB 6.010 . 8.410 5.356 4.105 6.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 14 LEU MD2 1 22 PHE QD 5.300 . 7.450 4.063 2.622 5.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 14 LEU MD2 1 22 PHE QE 4.600 . 6.750 2.721 1.444 5.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 14 LEU MD2 1 79 LEU MD1 6.130 . 10.930 4.738 2.159 6.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 14 LEU MD2 1 79 LEU MD2 6.130 . 10.930 3.755 2.114 5.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 14 LEU MD2 1 83 VAL HA 5.250 . 7.650 4.140 3.246 5.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 14 LEU MD2 1 86 MET ME 5.220 . 7.620 2.459 1.417 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 14 LEU HG 1 83 VAL QG 4.420 . 6.820 2.948 2.291 3.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 15 SER H 1 15 SER HA 3.420 2.430 3.420 2.986 2.895 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 15 SER H 1 15 SER HB2 3.410 . 5.110 2.997 2.187 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 15 SER H 1 15 SER HB3 3.410 . 5.110 3.234 2.229 3.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 15 SER H 1 16 GLU H 6.000 . 6.000 4.490 4.280 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 15 SER H 1 18 MET HB2 6.000 . 7.700 2.685 1.903 4.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 15 SER H 1 18 MET HB3 6.000 . 7.700 3.845 2.083 5.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 15 SER H 1 18 MET HG2 3.820 . 5.520 4.060 2.299 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 15 SER H 1 18 MET HG3 3.820 . 5.520 3.436 2.173 5.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 15 SER HA 1 16 GLU H 3.500 2.460 3.500 2.714 2.488 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 15 SER HB2 1 16 GLU H 4.060 . 5.760 2.771 1.899 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 15 SER HB2 1 17 GLU H 4.570 . 6.270 3.316 2.507 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 15 SER HB3 1 16 GLU H 4.060 . 5.760 2.676 1.915 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 15 SER HB3 1 17 GLU H 4.570 . 6.270 3.497 2.439 4.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 16 GLU H 1 16 GLU HA 3.420 2.410 3.420 2.979 2.921 3.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 16 GLU H 1 16 GLU HB2 3.000 2.110 3.000 2.700 2.380 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 16 GLU H 1 16 GLU HB3 3.000 2.110 3.000 2.568 2.335 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 16 GLU H 1 17 GLU H 4.160 . 4.160 2.388 2.294 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 16 GLU H 1 19 ILE MD 7.000 . 7.000 4.411 3.605 5.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 16 GLU HA 1 16 GLU HG2 4.740 2.290 4.740 3.140 2.352 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 16 GLU HA 1 16 GLU HG3 4.660 2.290 4.740 3.056 2.338 3.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 16 GLU HA 1 17 GLU H 6.000 . 6.000 3.513 3.501 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 16 GLU HA 1 19 ILE H 6.000 . 6.000 3.590 3.210 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 16 GLU HA 1 19 ILE HB 3.410 . 3.410 2.590 2.068 3.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 16 GLU HA 1 19 ILE MD 5.020 . 5.020 3.110 1.800 4.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 16 GLU HA 1 20 ALA H 6.000 . 6.000 4.572 4.144 5.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 17 GLU H 1 17 GLU HA 3.420 2.410 3.420 2.980 2.866 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 17 GLU H 1 17 GLU HB3 3.800 . 6.000 3.171 2.296 3.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 17 GLU H 1 17 GLU HG3 4.500 . 6.000 3.819 1.962 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 17 GLU H 1 18 MET H 3.870 . 3.870 2.493 2.270 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 17 GLU H 1 19 ILE H 6.000 . 6.000 3.873 3.649 4.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 17 GLU HA 1 17 GLU HG3 4.010 . 4.580 3.112 2.285 4.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 17 GLU HA 1 18 MET H 6.000 . 6.000 3.503 2.711 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 17 GLU HA 1 20 ALA H 4.140 2.910 4.140 3.677 3.289 4.143 0.003 34 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 17 GLU HA 1 20 ALA MB 4.670 . 4.670 3.036 2.510 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 17 GLU HB2 1 18 MET HG2 4.240 . 7.640 5.341 3.131 7.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 17 GLU HB2 1 18 MET HG3 4.240 . 7.640 5.688 3.972 7.646 0.006 40 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 17 GLU HB3 1 18 MET HG2 4.240 . 7.640 5.204 3.448 7.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 17 GLU HB3 1 18 MET HG3 4.240 . 7.640 5.528 3.238 6.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 17 GLU HG2 1 18 MET H 6.000 . 7.700 4.317 2.253 5.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 17 GLU HG3 1 18 MET H 6.000 . 7.700 4.420 2.189 5.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 18 MET H 1 18 MET HB2 4.000 . 4.540 2.588 2.222 3.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 18 MET H 1 18 MET HG2 4.290 . 6.000 3.338 2.017 5.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 18 MET H 1 19 ILE H 3.440 . 3.440 2.417 1.899 2.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 18 MET HA 1 18 MET HG2 4.070 . 4.070 2.873 2.204 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 18 MET HA 1 18 MET HG3 3.940 . 4.070 3.378 2.151 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 18 MET HA 1 19 ILE H 6.000 . 6.000 3.529 3.519 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 18 MET HA 1 19 ILE HA 6.000 . 6.000 4.942 4.886 5.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 18 MET HA 1 21 GLU H 6.000 . 6.000 3.667 3.446 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 18 MET HB2 1 19 ILE H 6.000 . 6.000 2.957 2.749 4.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 18 MET HB2 1 19 ILE HA 6.000 . 7.700 4.589 4.049 5.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 18 MET HB3 1 19 ILE H 6.000 . 6.000 3.651 2.842 4.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 18 MET HB3 1 19 ILE HA 6.000 . 7.700 4.488 3.979 5.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 19 ILE H 1 19 ILE HA 3.420 2.410 3.420 2.929 2.889 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 19 ILE H 1 19 ILE HB 2.930 2.060 2.930 2.300 2.185 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 19 ILE H 1 19 ILE HG12 3.690 . 5.390 4.171 2.821 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 19 ILE H 1 19 ILE HG13 3.690 . 5.390 3.618 2.783 4.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 19 ILE H 1 19 ILE MG 4.810 2.680 4.810 3.747 3.483 3.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 19 ILE H 1 20 ALA H 3.610 . 3.610 2.564 2.429 2.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 19 ILE HA 1 19 ILE HG12 3.630 . 5.330 3.113 2.177 3.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 19 ILE HA 1 19 ILE HG13 3.630 . 5.330 2.543 2.064 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 19 ILE HA 1 19 ILE MG 4.350 2.340 4.350 2.827 2.669 3.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 19 ILE HA 1 20 ALA H 4.490 3.160 4.490 3.531 3.503 3.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 19 ILE HA 1 22 PHE H 3.980 2.800 3.980 3.650 3.391 3.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 19 ILE HA 1 22 PHE QB 4.740 2.010 4.740 3.453 2.519 3.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 19 ILE HA 1 22 PHE QD 4.210 2.310 6.360 2.646 1.509 3.724 0.801 29 1 "[ . 1 . 2 . +3 . 4]" 1
224 1 19 ILE HA 1 23 LYS QB 7.000 . 7.000 5.581 4.675 6.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 19 ILE HA 1 75 PHE HZ 4.960 2.720 4.960 4.189 3.463 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 19 ILE HA 1 79 LEU MD1 4.800 . 7.200 4.017 2.725 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 19 ILE HA 1 79 LEU MD2 4.800 . 7.200 3.277 2.261 5.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 19 ILE HB 1 19 ILE MG 4.120 2.080 4.120 2.189 2.189 2.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 19 ILE HB 1 20 ALA H 3.400 2.390 3.400 3.058 2.920 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 19 ILE MD 1 79 LEU MD1 6.320 . 8.720 2.950 1.808 4.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 19 ILE MD 1 79 LEU MD2 6.320 . 8.720 3.367 1.656 5.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 19 ILE HG12 1 20 ALA H 6.000 . 7.700 5.328 4.721 5.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 19 ILE HG12 1 21 GLU H 6.000 . 7.700 6.956 6.265 7.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 19 ILE HG12 1 23 LYS HG2 5.020 . 8.420 7.291 5.402 8.432 0.012 10 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 19 ILE HG12 1 23 LYS HG3 5.020 . 8.420 6.710 5.075 8.430 0.010 22 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 19 ILE HG12 1 75 PHE HZ 4.420 . 6.120 4.399 3.454 6.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 19 ILE HG13 1 20 ALA H 6.000 . 7.700 5.037 4.700 5.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 19 ILE HG13 1 21 GLU H 6.000 . 7.700 6.437 6.110 7.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 19 ILE HG13 1 23 LYS HG2 5.020 . 8.420 7.658 6.111 8.434 0.014 14 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 19 ILE HG13 1 23 LYS HG3 5.020 . 8.420 6.957 5.628 8.430 0.010 27 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 19 ILE HG13 1 75 PHE HZ 4.420 . 6.120 4.733 3.070 6.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 19 ILE MG 1 20 ALA H 5.140 2.910 5.140 3.138 2.644 3.446 0.266 10 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 19 ILE MG 1 20 ALA HA 5.210 2.810 5.210 3.200 2.976 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 19 ILE MG 1 22 PHE H 7.000 . 7.000 4.548 4.411 4.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 19 ILE MG 1 22 PHE QB 6.340 2.890 6.340 3.935 3.508 4.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 19 ILE MG 1 22 PHE QD 5.650 2.550 7.800 4.437 2.637 5.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 19 ILE MG 1 79 LEU MD1 5.700 2.450 5.700 3.134 2.552 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 19 ILE MG 1 79 LEU MD2 5.670 2.450 5.700 3.379 2.414 3.751 0.036 28 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 20 ALA H 1 20 ALA HA 3.420 2.410 3.420 2.879 2.825 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 20 ALA H 1 20 ALA MB 3.900 2.040 3.900 2.312 2.306 2.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 20 ALA H 1 21 GLU HG2 6.000 . 7.700 6.153 4.225 7.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 20 ALA H 1 21 GLU HG3 6.000 . 7.700 6.070 4.299 7.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 20 ALA HA 1 21 GLU H 6.000 . 6.000 3.540 3.492 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 20 ALA HA 1 23 LYS H 3.510 2.470 3.510 3.367 3.093 3.529 0.019 29 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 20 ALA MB 1 21 GLU H 4.580 . 4.580 2.684 2.389 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 21 GLU H 1 21 GLU HG2 4.490 . 6.190 3.741 2.105 4.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 21 GLU H 1 21 GLU HG3 4.490 . 6.190 3.677 2.266 4.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 21 GLU H 1 22 PHE H 3.440 . 3.440 2.643 2.486 2.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 21 GLU H 1 23 LYS H 6.000 . 6.000 3.922 3.776 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 21 GLU HA 1 21 GLU HG2 3.990 2.100 3.990 3.085 2.318 3.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 21 GLU HA 1 21 GLU HG3 3.910 2.100 3.990 3.108 2.300 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 21 GLU HA 1 22 PHE H 4.000 2.810 4.000 3.538 3.512 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 21 GLU HA 1 22 PHE HA 6.000 . 6.000 4.843 4.757 4.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 21 GLU HA 1 24 ALA H 6.000 . 6.000 4.289 3.947 4.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 21 GLU HB2 1 22 PHE H 6.000 . 7.700 3.197 2.427 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 21 GLU HB3 1 22 PHE H 6.000 . 7.700 3.356 2.513 4.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 21 GLU HG2 1 22 PHE H 6.000 . 7.700 4.631 2.153 5.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 21 GLU HG3 1 22 PHE H 6.000 . 7.700 4.658 2.382 5.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 22 PHE H 1 22 PHE HA 3.420 2.410 3.420 3.002 2.966 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 22 PHE H 1 22 PHE QB 4.130 2.200 4.130 2.601 2.233 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 22 PHE H 1 23 LYS H 3.390 . 3.390 2.395 2.225 2.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 22 PHE H 1 79 LEU MD1 7.000 . 9.400 6.152 4.735 6.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 22 PHE H 1 79 LEU MD2 7.000 . 9.400 4.923 4.268 7.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 22 PHE HA 1 22 PHE QD 3.360 . 5.510 2.811 2.090 3.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 22 PHE HA 1 23 LYS H 4.050 2.840 4.050 3.455 3.053 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 22 PHE HA 1 25 ALA H 6.000 . 6.000 3.733 3.402 3.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 22 PHE HA 1 25 ALA MB 4.680 2.450 4.680 3.263 2.909 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 22 PHE HA 1 79 LEU MD1 7.000 . 9.400 6.924 4.955 7.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 22 PHE HA 1 79 LEU MD2 7.000 . 9.400 5.446 4.589 7.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 22 PHE QB 1 22 PHE QD 4.750 2.060 6.900 2.217 2.199 2.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 22 PHE QB 1 23 LYS H 4.540 2.490 4.540 3.036 2.706 3.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 22 PHE QB 1 75 PHE QE 4.920 2.150 7.070 3.360 2.432 5.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 22 PHE QB 1 75 PHE HZ 5.670 2.570 5.670 3.623 2.736 4.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 22 PHE QB 1 78 PHE QE 5.290 2.350 7.440 3.412 1.925 5.840 0.425 25 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 22 PHE QB 1 79 LEU MD1 5.520 . 7.920 4.187 2.504 4.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 22 PHE QB 1 79 LEU MD2 5.520 . 7.920 2.941 2.178 4.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 22 PHE QD 1 25 ALA MB 5.280 2.350 7.430 4.475 3.719 5.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 22 PHE QD 1 79 LEU MD1 5.820 . 7.970 4.568 2.104 5.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 22 PHE QD 1 79 LEU MD2 5.820 . 7.970 3.127 2.010 5.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 22 PHE QD 1 82 MET HB2 4.730 . 6.880 4.871 3.517 6.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 22 PHE QD 1 82 MET HB3 4.730 . 6.880 5.031 3.784 5.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 23 LYS H 1 23 LYS HA 3.420 2.410 3.420 2.919 2.838 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 23 LYS H 1 23 LYS QB 4.130 2.200 4.130 2.304 2.159 2.855 0.041 24 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 23 LYS H 1 23 LYS HD2 6.000 . 6.000 5.105 3.780 5.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 23 LYS H 1 23 LYS HD3 6.000 . 6.000 4.818 3.829 5.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 23 LYS H 1 23 LYS HG2 4.810 . 6.510 4.063 2.736 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 23 LYS H 1 23 LYS HG3 4.810 . 6.510 3.542 2.042 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 23 LYS H 1 24 ALA H 3.280 . 3.280 2.684 2.206 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 23 LYS HA 1 23 LYS HD2 3.610 . 5.170 4.371 2.307 5.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 23 LYS HA 1 23 LYS HD3 5.170 . 5.170 4.106 2.603 4.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 23 LYS HA 1 24 ALA H 6.000 . 6.000 3.556 3.518 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 23 LYS HA 1 26 PHE H 6.000 . 6.000 3.817 3.198 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 23 LYS HA 1 27 ASP H 6.000 . 6.000 4.737 4.258 5.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 23 LYS HA 1 75 PHE QE 3.700 2.030 5.850 2.931 1.738 4.060 0.292 24 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 23 LYS HA 1 75 PHE HZ 4.670 2.560 4.670 3.528 2.799 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 23 LYS QB 1 24 ALA H 7.000 . 7.000 2.714 2.382 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 23 LYS HD2 1 75 PHE QE 4.850 . 7.000 4.368 2.241 6.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 23 LYS HD3 1 75 PHE QE 4.850 . 7.000 4.444 1.987 5.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 23 LYS HG2 1 24 ALA H 6.000 . 7.700 4.830 3.634 5.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 23 LYS HG2 1 27 ASP H 6.000 . 7.700 6.630 5.631 7.702 0.002 22 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 23 LYS HG3 1 24 ALA H 6.000 . 7.700 4.632 2.056 5.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 23 LYS HG3 1 27 ASP H 6.000 . 7.700 7.134 4.914 7.702 0.002 29 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 24 ALA H 1 24 ALA HA 3.420 2.410 3.420 2.905 2.846 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 24 ALA HA 1 25 ALA H 6.000 . 6.000 3.582 3.571 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 24 ALA MB 1 25 ALA MB 5.690 2.460 5.690 3.523 3.362 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 25 ALA H 1 25 ALA HA 3.420 2.410 3.420 2.937 2.849 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 25 ALA H 1 25 ALA MB 3.960 2.080 3.960 2.322 2.310 2.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 25 ALA H 1 26 PHE H 3.640 . 3.640 2.625 2.452 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 25 ALA HA 1 25 ALA MB 4.120 2.080 4.120 2.166 2.165 2.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 25 ALA HA 1 26 PHE H 6.000 . 6.000 3.452 3.123 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 25 ALA HA 1 28 MET H 6.000 . 6.000 3.366 3.106 3.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 25 ALA MB 1 26 PHE H 4.760 2.650 4.760 2.997 2.716 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 25 ALA MB 1 26 PHE HA 7.000 . 7.000 4.002 3.905 4.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 25 ALA MB 1 27 ASP H 7.000 . 7.000 4.817 4.644 5.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 25 ALA MB 1 28 MET HB2 5.020 . 6.720 4.129 3.578 5.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 25 ALA MB 1 28 MET HB3 5.020 . 6.720 3.791 3.189 5.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 25 ALA MB 1 28 MET ME 6.090 2.730 6.090 3.093 1.955 4.030 0.775 20 2 "[ . -1 . + . 3 . 4]" 1
328 1 25 ALA MB 1 28 MET HG2 5.440 . 7.140 5.351 3.503 5.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 25 ALA MB 1 28 MET HG3 5.440 . 7.140 5.565 3.536 5.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 25 ALA MB 1 29 PHE QD 5.790 2.630 7.940 4.746 3.431 5.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 25 ALA MB 1 45 VAL MG1 6.240 . 8.640 5.699 5.374 5.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 25 ALA MB 1 45 VAL MG2 6.240 . 8.640 5.566 4.856 5.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 25 ALA MB 1 78 PHE QE 5.330 2.380 7.480 4.071 2.914 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 26 PHE H 1 26 PHE HA 3.420 2.410 3.420 2.939 2.851 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 26 PHE H 1 26 PHE QB 4.610 2.540 4.610 2.325 2.257 2.384 0.283 27 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 26 PHE H 1 27 ASP H 4.490 . 4.490 2.623 2.219 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 26 PHE HA 1 26 PHE QD 3.760 2.060 5.910 2.872 2.293 3.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 26 PHE HA 1 27 ASP H 4.040 . 4.040 3.559 3.532 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 26 PHE HA 1 29 PHE H 4.120 2.890 4.120 3.747 3.494 3.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 26 PHE HA 1 29 PHE HB2 6.000 . 7.700 3.511 3.005 3.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 26 PHE HA 1 29 PHE HB3 6.000 . 7.700 4.487 3.101 5.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 26 PHE HA 1 29 PHE QD 4.270 2.340 6.420 4.054 2.203 5.425 0.137 5 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 26 PHE HA 1 37 ILE MD 4.810 2.540 4.810 3.631 3.206 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 26 PHE HA 1 78 PHE QE 4.800 2.640 6.950 3.378 2.016 4.662 0.624 10 1 "[ . + . 2 . 3 . 4]" 1
345 1 26 PHE QE 1 35 GLY HA2 4.620 . 6.770 3.892 2.076 5.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 26 PHE QE 1 35 GLY HA3 4.620 . 6.770 5.027 3.733 6.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 26 PHE QE 1 36 ASP HA 4.180 2.300 6.330 3.724 3.030 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 26 PHE HZ 1 36 ASP HA 3.630 . 3.630 2.737 2.155 3.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 26 PHE HZ 1 74 ASP HA 3.880 2.130 3.880 3.499 2.641 3.881 0.001 15 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 27 ASP H 1 28 MET H 3.930 . 3.930 2.548 2.389 2.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 27 ASP HA 1 28 MET H 6.000 . 6.000 3.528 3.510 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 27 ASP HA 1 29 PHE H 6.000 . 6.000 4.293 3.972 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 27 ASP HA 1 30 ASP H 3.470 2.440 3.470 3.256 3.018 3.472 0.002 31 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 27 ASP HA 1 30 ASP HB2 5.110 . 6.000 2.818 2.111 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 27 ASP HA 1 30 ASP HB3 6.000 . 6.000 2.751 2.234 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 28 MET H 1 28 MET HA 3.420 2.410 3.420 2.897 2.845 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 28 MET H 1 28 MET HB2 3.370 2.300 3.370 2.515 2.299 3.422 0.052 3 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 28 MET H 1 28 MET HB3 3.280 2.300 3.370 2.906 2.331 3.471 0.101 3 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 28 MET H 1 28 MET ME 7.000 . 7.000 4.180 3.016 5.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 28 MET H 1 29 PHE H 3.220 . 3.220 2.754 2.499 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 28 MET H 1 30 ASP H 6.000 . 6.000 4.055 3.798 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 28 MET HA 1 28 MET HG2 4.070 . 4.070 3.053 2.283 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 28 MET HA 1 28 MET HG3 3.800 . 4.070 2.762 2.238 4.168 0.098 3 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 28 MET HA 1 29 PHE H 3.730 2.620 3.730 3.552 3.521 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 28 MET HA 1 29 PHE HA 6.000 . 6.000 4.901 4.846 5.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 28 MET HB2 1 29 PHE H 3.550 2.500 3.890 3.666 2.546 3.896 0.006 1 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 28 MET HB3 1 29 PHE H 3.890 2.500 3.890 2.724 2.512 3.897 0.007 3 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 28 MET HG2 1 29 PHE H 6.000 . 7.700 4.228 2.493 5.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 28 MET HG3 1 29 PHE H 6.000 . 7.700 4.837 3.471 5.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 29 PHE H 1 29 PHE HA 3.420 2.410 3.420 2.955 2.831 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 29 PHE H 1 30 ASP H 3.130 . 3.130 2.511 2.364 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 29 PHE H 1 30 ASP HB2 6.000 . 7.700 4.746 4.434 5.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 29 PHE H 1 30 ASP HB3 6.000 . 7.700 5.066 4.577 5.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 29 PHE H 1 37 ILE MD 7.000 . 7.000 4.272 3.815 4.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 29 PHE HA 1 30 ASP H 6.000 . 6.000 3.538 3.517 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 29 PHE HA 1 45 VAL MG1 4.720 . 7.120 3.190 2.503 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 29 PHE HA 1 45 VAL MG2 4.720 . 7.120 1.796 1.456 2.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 29 PHE HB2 1 30 ASP H 3.600 . 6.000 3.155 2.489 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 29 PHE HB2 1 37 ILE MD 4.520 2.340 4.620 2.739 1.766 3.637 0.574 33 1 "[ . 1 . 2 . 3 + . 4]" 1
380 1 29 PHE HB2 1 37 ILE MG 5.140 . 6.840 3.997 2.845 5.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 29 PHE HB3 1 30 ASP H 6.000 . 6.000 3.314 2.449 3.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 29 PHE HB3 1 37 ILE MD 4.620 2.340 4.620 2.336 1.780 3.082 0.560 28 2 "[ . 1 . - . + 3 . 4]" 1
383 1 29 PHE HB3 1 37 ILE MG 5.140 . 6.840 3.047 1.746 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 29 PHE QD 1 37 ILE MD 5.330 2.380 7.480 2.658 1.194 3.873 1.186 17 5 "[ * . 1 .*+ 2 * . - . 4]" 1
385 1 29 PHE QD 1 37 ILE MG 5.830 2.650 7.980 3.563 1.506 4.687 1.144 23 6 "[** . 1 .* -2 + . * . 4]" 1
386 1 29 PHE QD 1 45 VAL MG1 5.420 . 7.570 2.443 1.360 3.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 29 PHE QD 1 45 VAL MG2 5.420 . 7.570 2.436 1.120 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 29 PHE QE 1 37 ILE MD 5.660 2.560 7.810 4.170 2.642 5.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 30 ASP H 1 30 ASP HA 3.420 2.410 3.420 2.929 2.849 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 30 ASP H 1 30 ASP HB2 2.980 2.100 3.060 2.471 2.293 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 30 ASP H 1 30 ASP HB3 3.060 2.100 3.060 2.857 2.432 3.061 0.001 22 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 30 ASP H 1 37 ILE MD 7.000 . 7.000 3.385 2.815 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 30 ASP H 1 37 ILE MG 7.000 . 7.000 3.818 3.301 4.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 30 ASP HA 1 31 ALA H 4.040 . 4.040 2.752 2.105 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 30 ASP HA 1 37 ILE MD 5.160 2.050 5.160 3.519 2.553 4.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 30 ASP HB2 1 31 ALA H 4.790 . 6.490 3.828 3.265 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 30 ASP HB2 1 34 GLY H 6.000 . 7.700 5.183 3.113 7.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 30 ASP HB3 1 31 ALA H 4.790 . 6.490 2.998 1.900 4.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 30 ASP HB3 1 34 GLY H 6.000 . 7.700 4.799 2.337 7.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 31 ALA H 1 32 ASP H 3.820 . 3.820 2.274 1.899 3.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 31 ALA HA 1 31 ALA MB 4.120 2.080 4.120 2.165 2.162 2.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 31 ALA HA 1 32 ASP H 3.830 2.690 3.830 3.428 2.975 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 31 ALA HA 1 32 ASP HA 6.000 . 6.000 4.756 4.539 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 31 ALA HA 1 33 GLY H 6.000 . 6.000 5.161 3.613 5.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 31 ALA MB 1 32 ASP H 4.230 2.270 4.230 2.837 2.279 3.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 31 ALA MB 1 32 ASP HA 7.000 . 7.000 4.149 3.947 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 31 ALA MB 1 33 GLY H 7.000 . 7.000 4.899 4.211 5.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 31 ALA MB 1 37 ILE MG 5.840 . 6.840 4.455 3.870 4.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 32 ASP H 1 32 ASP HA 3.420 2.410 3.420 3.034 2.998 3.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 32 ASP H 1 32 ASP HB2 3.770 2.490 3.770 3.548 2.504 3.796 0.026 33 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 32 ASP H 1 32 ASP HB3 3.550 2.490 3.770 3.183 2.489 3.792 0.022 2 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 32 ASP H 1 33 GLY H 3.440 . 3.440 2.581 2.087 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 32 ASP H 1 33 GLY QA 7.000 . 7.000 4.309 3.836 4.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 32 ASP HB2 1 34 GLY H 6.000 . 7.700 5.044 3.266 7.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 32 ASP HB3 1 34 GLY H 6.000 . 7.700 5.649 2.539 7.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 33 GLY H 1 34 GLY H 4.360 . 4.360 2.894 1.901 4.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 33 GLY QA 1 34 GLY H 5.350 2.090 5.350 2.452 2.095 2.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 34 GLY H 1 35 GLY H 4.310 . 4.310 3.122 1.899 4.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 35 GLY H 1 36 ASP H 3.020 . 3.020 2.295 1.900 3.021 0.001 2 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 35 GLY HA2 1 36 ASP H 3.730 2.620 3.790 3.252 2.619 3.579 0.001 33 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 35 GLY HA3 1 36 ASP H 3.790 2.620 3.790 3.081 2.620 3.572 . 20 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 36 ASP H 1 36 ASP HA 3.420 2.410 3.420 2.913 2.407 3.067 0.003 34 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 36 ASP HA 1 37 ILE H 4.040 . 4.040 2.374 2.132 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 36 ASP HA 1 72 THR HB 6.000 . 6.000 4.796 4.149 5.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 36 ASP HA 1 74 ASP HA 3.760 . 3.760 2.256 1.961 2.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 36 ASP HA 1 74 ASP HB2 6.000 . 6.000 4.944 4.012 5.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 36 ASP HA 1 74 ASP HB3 6.000 . 6.000 3.919 3.163 5.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 36 ASP HA 1 75 PHE H 3.870 2.720 3.870 3.808 3.555 3.876 0.006 24 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 36 ASP HB2 1 37 ILE H 6.000 . 7.700 2.752 1.899 3.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 36 ASP HB2 1 72 THR HB 3.930 . 4.200 2.843 2.070 3.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 36 ASP HB2 1 74 ASP HA 4.040 . 5.740 3.577 2.661 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 36 ASP HB3 1 37 ILE H 6.000 . 7.700 3.295 2.298 3.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 36 ASP HB3 1 72 THR HB 4.200 . 4.200 3.780 2.342 4.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 36 ASP HB3 1 74 ASP HA 4.040 . 5.740 2.603 2.038 3.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 37 ILE H 1 37 ILE HB 4.110 . 4.110 3.167 2.779 3.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 37 ILE H 1 75 PHE H 6.000 . 6.000 5.464 4.892 6.009 0.009 16 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 37 ILE HA 1 37 ILE MG 4.010 2.280 4.010 2.286 2.171 2.498 0.109 38 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 37 ILE HA 1 38 SER H 4.040 . 4.040 2.450 2.091 2.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 37 ILE HB 1 37 ILE MD 4.290 2.380 4.290 2.705 2.294 3.109 0.086 20 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 37 ILE HB 1 37 ILE MG 4.120 2.080 4.120 2.165 2.164 2.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 37 ILE HB 1 73 ILE H 4.810 . 4.810 3.500 2.922 4.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 37 ILE HB 1 73 ILE HB 6.000 . 6.000 2.707 2.164 3.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 37 ILE HB 1 73 ILE MG 7.000 . 7.000 3.919 3.310 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 37 ILE MD 1 37 ILE QG 5.120 2.080 5.120 1.944 1.944 1.944 0.136 2 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 37 ILE MD 1 37 ILE MG 4.960 2.050 4.960 2.065 1.876 2.868 0.174 38 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 37 ILE MD 1 38 SER H 6.520 2.070 6.520 4.714 4.017 5.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 37 ILE MD 1 42 LEU H 7.000 . 7.000 5.601 4.995 5.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 37 ILE MD 1 42 LEU MD1 6.960 . 9.360 3.911 2.373 6.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 37 ILE MD 1 42 LEU MD2 6.960 . 9.360 4.844 2.835 6.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 37 ILE MD 1 73 ILE HB 4.650 2.430 4.650 3.531 2.309 3.864 0.121 27 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 37 ILE MD 1 73 ILE MD 8.000 . 8.000 4.589 3.251 5.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 37 ILE MD 1 73 ILE MG 5.730 2.480 5.730 3.161 2.243 3.588 0.237 27 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 37 ILE MD 1 78 PHE QE 5.630 2.540 7.780 4.021 2.843 5.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 37 ILE QG 1 37 ILE MG 5.910 . 5.910 2.597 2.218 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 37 ILE QG 1 42 LEU MD1 7.200 . 9.600 5.027 2.582 7.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 37 ILE QG 1 42 LEU MD2 7.200 . 9.600 5.933 3.511 7.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 37 ILE MG 1 38 SER H 6.090 . 6.090 2.086 1.519 3.297 0.391 39 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 37 ILE MG 1 41 GLU H 7.000 . 7.000 4.241 3.835 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 37 ILE MG 1 42 LEU H 4.870 2.720 4.870 3.048 2.298 3.483 0.422 33 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 37 ILE MG 1 42 LEU HA 4.840 2.560 4.840 3.073 2.309 3.672 0.251 20 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 37 ILE MG 1 42 LEU HB2 4.550 . 6.250 3.109 1.901 4.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 37 ILE MG 1 42 LEU HB3 4.550 . 6.250 4.254 3.213 5.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 37 ILE MG 1 45 VAL MG1 5.870 . 8.270 5.453 4.799 5.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 37 ILE MG 1 45 VAL MG2 5.870 . 8.270 5.172 4.510 5.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 37 ILE MG 1 73 ILE HB 5.050 2.700 5.050 4.107 3.839 4.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 38 SER H 1 41 GLU H 6.000 . 6.000 3.981 3.606 4.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 38 SER H 1 41 GLU QG 5.390 . 5.390 2.976 1.295 4.364 0.355 20 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 38 SER H 1 42 LEU H 6.000 . 6.000 3.721 2.701 4.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 38 SER HA 1 39 THR H 3.250 2.280 3.250 2.690 2.425 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 38 SER HA 1 62 ILE MD 5.120 . 5.120 3.456 2.627 4.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 38 SER HA 1 72 THR HB 4.040 . 4.040 3.813 3.263 4.046 0.006 34 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 38 SER HA 1 72 THR MG 4.010 2.630 4.010 2.288 1.791 2.980 0.839 25 18 "[ * . * *** 2*** + * *- ***** *]" 1
473 1 38 SER HB2 1 39 THR H 3.430 . 5.130 2.724 2.077 3.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 38 SER HB2 1 72 THR MG 4.660 . 4.660 3.115 2.120 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 38 SER HB3 1 39 THR H 3.430 . 5.130 3.142 1.900 3.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 38 SER HB3 1 72 THR MG 4.620 . 4.660 3.369 2.455 3.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 39 THR H 1 39 THR HA 3.420 2.410 3.420 2.999 2.900 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 39 THR H 1 39 THR MG 4.230 2.270 4.230 3.320 3.002 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 39 THR H 1 40 LYS H 6.000 . 6.000 2.452 2.280 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 39 THR H 1 62 ILE MD 4.590 2.520 4.590 3.232 2.388 3.789 0.132 6 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 39 THR HA 1 39 THR MG 4.350 2.230 4.350 2.267 2.253 2.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 39 THR HA 1 40 LYS H 6.000 . 6.000 3.554 3.471 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 39 THR HA 1 40 LYS HA 6.000 . 6.000 4.919 4.810 5.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 39 THR HA 1 42 LEU H 6.000 . 6.000 3.763 3.404 4.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 39 THR HA 1 42 LEU HB2 3.980 2.120 4.470 3.613 2.410 4.473 0.003 6 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 39 THR HA 1 42 LEU HB3 4.470 2.120 4.470 3.232 2.120 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 39 THR HA 1 43 GLY H 6.000 . 6.000 4.310 3.741 4.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 39 THR HA 1 62 ILE MD 4.540 2.280 4.540 2.282 1.755 2.941 0.525 14 2 "[- . 1 +. 2 . 3 . 4]" 1
489 1 39 THR HB 1 39 THR MG 4.120 2.080 4.120 2.171 2.171 2.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 39 THR HB 1 42 LEU MD1 7.000 . 9.400 6.549 4.304 7.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 39 THR HB 1 42 LEU MD2 7.000 . 9.400 5.940 3.878 7.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 39 THR HB 1 58 LEU MD1 4.800 . 7.200 3.899 2.938 5.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 39 THR HB 1 58 LEU MD2 4.800 . 7.200 4.054 2.957 5.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 39 THR HB 1 62 ILE MD 7.000 . 7.000 3.708 3.269 4.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 39 THR MG 1 42 LEU MD1 6.830 . 9.230 4.906 2.565 6.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 39 THR MG 1 42 LEU MD2 6.830 . 9.230 4.402 2.382 6.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 39 THR MG 1 58 LEU QB 5.990 2.660 5.990 2.820 1.921 3.683 0.739 10 2 "[ . + .- 2 . 3 . 4]" 1
498 1 39 THR MG 1 58 LEU MD1 5.430 . 7.830 4.209 2.864 5.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 39 THR MG 1 58 LEU MD2 5.430 . 7.830 3.695 2.640 5.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 39 THR MG 1 59 ASP HA 5.040 2.690 5.040 2.006 1.680 2.439 1.010 39 34 "[*** ****** ******** ******* *-***** *+*]" 1
501 1 39 THR MG 1 61 ILE MG 6.220 2.810 6.220 3.951 3.735 4.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 39 THR MG 1 62 ILE MD 5.170 2.120 5.170 1.280 0.853 1.782 1.267 36 37 "[*********1** ***************** ****+-***]" 1
503 1 39 THR MG 1 62 ILE MG 6.420 2.950 6.420 2.820 2.313 3.297 0.637 38 2 "[ . 1 . 2 . - . + 4]" 1
504 1 40 LYS H 1 40 LYS HA 3.420 2.410 3.420 2.910 2.819 3.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 40 LYS H 1 40 LYS HB2 3.330 2.340 3.430 2.581 2.331 3.438 0.009 26 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 40 LYS H 1 40 LYS HB3 3.430 2.340 3.430 2.737 2.390 3.452 0.022 34 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 40 LYS HA 1 40 LYS QE 6.030 . 6.030 4.424 2.942 5.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 40 LYS HA 1 40 LYS HG2 3.790 . 4.560 3.102 2.166 4.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 40 LYS HB2 1 41 GLU H 4.590 2.050 4.590 3.716 2.888 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 40 LYS HB3 1 41 GLU H 4.270 2.050 4.590 2.750 2.095 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 40 LYS QE 1 40 LYS HG2 4.990 . 5.090 3.004 2.194 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 40 LYS QE 1 40 LYS HG3 5.090 . 5.090 2.831 2.143 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 40 LYS HG2 1 41 GLU H 6.000 . 7.700 4.259 2.918 5.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 40 LYS HG3 1 41 GLU H 6.000 . 7.700 4.612 2.824 5.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 41 GLU H 1 41 GLU QG 4.560 . 4.560 2.126 1.565 4.035 0.145 20 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 41 GLU H 1 42 LEU H 3.670 . 3.670 2.668 2.404 3.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 41 GLU HA 1 42 LEU H 4.160 2.920 4.160 3.560 3.515 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 41 GLU HA 1 44 THR H 4.700 2.260 4.700 3.842 3.167 4.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 41 GLU HA 1 44 THR HB 4.270 2.060 4.270 3.634 2.676 4.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 41 GLU QG 1 42 LEU H 4.650 2.560 4.650 3.639 2.549 4.223 0.011 23 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 42 LEU H 1 42 LEU HA 3.420 2.410 3.420 2.906 2.848 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 42 LEU H 1 42 LEU HB2 3.550 . 6.000 2.532 2.160 3.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 42 LEU H 1 43 GLY H 3.630 . 3.630 2.693 2.425 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 42 LEU HA 1 45 VAL H 6.000 . 6.000 3.970 3.565 4.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 42 LEU HB2 1 43 GLY H 4.780 . 6.480 3.708 2.744 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 42 LEU HB3 1 43 GLY H 4.780 . 6.480 2.789 2.122 3.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 43 GLY H 1 44 THR H 4.560 . 4.560 2.753 2.316 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 43 GLY HA2 1 44 THR H 6.000 . 7.700 3.520 3.188 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 43 GLY HA2 1 46 MET H 6.000 . 7.700 3.774 3.328 4.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 43 GLY HA2 1 47 ARG H 6.000 . 7.700 4.479 3.743 5.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 43 GLY HA2 1 58 LEU MD1 3.880 . 3.880 2.624 1.743 3.102 0.127 28 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 43 GLY HA2 1 58 LEU MD2 3.700 . 3.880 2.322 1.512 2.897 0.358 3 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 43 GLY HA3 1 44 THR H 6.000 . 7.700 2.920 2.714 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 43 GLY HA3 1 46 MET H 6.000 . 7.700 4.893 4.572 5.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 43 GLY HA3 1 47 ARG H 6.000 . 7.700 5.258 4.883 5.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 43 GLY HA3 1 58 LEU MD1 3.790 . 3.880 2.143 1.458 2.915 0.412 13 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 43 GLY HA3 1 58 LEU MD2 3.800 . 3.880 2.651 1.694 3.064 0.176 32 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 44 THR H 1 44 THR HB 4.370 2.100 4.370 2.455 2.224 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 44 THR H 1 45 VAL H 3.120 . 3.120 2.829 2.335 3.123 0.003 14 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 44 THR HA 1 44 THR MG 4.170 2.230 4.170 2.698 2.384 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 44 THR HA 1 45 VAL H 6.000 . 6.000 3.569 3.541 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 44 THR HA 1 45 VAL HA 6.000 . 6.000 4.894 4.810 4.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 44 THR HA 1 47 ARG QD 7.000 . 7.000 4.637 2.561 6.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 44 THR HB 1 44 THR MG 4.120 2.080 4.120 2.175 2.174 2.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 44 THR HB 1 45 VAL H 3.060 2.150 3.060 2.602 2.221 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 44 THR HB 1 45 VAL MG1 7.000 . 9.400 5.666 5.303 6.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 44 THR HB 1 45 VAL MG2 7.000 . 9.400 4.353 3.669 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 44 THR MG 1 45 VAL H 7.000 . 7.000 2.941 1.763 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 44 THR MG 1 45 VAL HA 5.640 3.090 5.640 3.180 2.768 3.914 0.322 19 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 44 THR MG 1 47 ARG H 7.000 . 7.000 4.897 4.599 5.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 44 THR MG 1 48 MET H 7.000 . 7.000 4.973 4.407 5.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 45 VAL H 1 45 VAL HA 3.420 2.410 3.420 2.922 2.850 2.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 45 VAL H 1 45 VAL HB 2.730 . 2.730 2.228 2.196 2.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 45 VAL H 1 45 VAL MG1 3.820 . 4.390 3.605 3.280 3.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 45 VAL H 1 45 VAL MG2 4.390 . 4.390 3.212 3.070 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 45 VAL H 1 46 MET H 3.180 . 3.180 2.609 2.395 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 45 VAL HA 1 45 VAL MG1 4.660 2.390 4.660 2.962 2.881 3.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 45 VAL HA 1 45 VAL MG2 4.580 2.390 4.660 2.252 2.175 2.281 0.215 24 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 45 VAL HA 1 46 MET H 6.000 . 6.000 3.539 3.513 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 45 VAL HA 1 48 MET H 4.140 2.910 4.140 3.714 3.212 4.151 0.011 7 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 45 VAL HA 1 48 MET ME 7.000 . 7.000 3.780 2.194 5.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 45 VAL HB 1 45 VAL MG1 4.120 2.080 4.120 2.181 2.179 2.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 45 VAL HB 1 45 VAL MG2 4.120 2.080 4.120 2.182 2.180 2.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 45 VAL MG1 1 46 MET H 4.690 . 7.090 2.796 1.906 3.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 45 VAL MG1 1 48 MET ME 8.000 . 8.000 4.042 2.635 5.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 45 VAL MG2 1 46 MET H 4.690 . 7.090 4.331 4.023 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 45 VAL MG2 1 48 MET ME 8.000 . 8.000 3.252 1.529 4.664 0.171 29 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 46 MET H 1 46 MET HA 3.420 2.410 3.420 2.915 2.859 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 46 MET H 1 46 MET HB2 3.640 . 5.340 2.602 2.258 3.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 46 MET H 1 46 MET HB3 3.640 . 5.340 3.575 2.474 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 46 MET H 1 46 MET HG2 3.390 2.380 3.660 3.129 2.380 3.662 0.002 7 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 46 MET H 1 46 MET HG3 3.660 2.380 3.660 3.246 2.728 3.663 0.003 40 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 46 MET H 1 47 ARG H 3.550 . 3.550 2.683 2.436 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 46 MET HA 1 46 MET ME 5.630 . 5.630 3.612 1.936 4.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 46 MET HA 1 46 MET HG2 3.940 . 4.140 2.581 2.189 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 46 MET HA 1 46 MET HG3 4.140 . 4.140 3.579 3.145 3.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 46 MET HA 1 47 ARG HA 6.000 . 6.000 4.950 4.756 5.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 46 MET HA 1 49 LEU MD1 5.260 . 7.660 4.203 2.410 5.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 46 MET HA 1 49 LEU MD2 5.260 . 7.660 4.225 2.329 5.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 46 MET HG2 1 49 LEU MD1 6.200 . 9.400 5.732 3.058 7.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 46 MET HG2 1 49 LEU MD2 7.000 . 9.400 5.761 3.177 7.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 46 MET HG3 1 49 LEU MD1 6.200 . 9.400 6.565 4.359 7.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 46 MET HG3 1 49 LEU MD2 6.200 . 9.400 6.604 4.382 7.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 47 ARG H 1 48 MET H 3.560 . 3.560 2.747 2.415 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 47 ARG HB2 1 48 MET H 3.780 . 5.480 3.775 2.617 4.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 47 ARG HB3 1 48 MET H 3.780 . 5.480 3.262 1.910 4.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 47 ARG QD 1 52 ASN HA 7.000 . 7.000 4.857 2.701 6.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 48 MET H 1 48 MET HA 3.420 2.410 3.420 2.896 2.828 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 48 MET H 1 48 MET HB2 3.300 2.320 3.620 2.797 2.318 3.654 0.034 31 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 48 MET H 1 48 MET HB3 3.620 2.320 3.620 3.210 2.319 3.721 0.101 13 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 48 MET H 1 48 MET ME 7.000 . 7.000 4.779 3.705 5.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 48 MET H 1 48 MET HG2 3.410 2.400 3.860 3.663 2.398 3.943 0.083 17 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 48 MET H 1 48 MET HG3 3.860 2.400 3.860 3.471 2.397 3.938 0.078 17 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 48 MET H 1 49 LEU H 3.820 . 3.820 2.904 2.404 3.827 0.007 37 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 48 MET H 1 49 LEU MD1 7.000 . 9.400 5.348 2.987 6.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 48 MET H 1 49 LEU MD2 7.000 . 9.400 5.123 2.875 6.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 48 MET HA 1 48 MET HG2 4.270 . 4.270 2.972 2.133 4.296 0.026 14 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 48 MET HA 1 48 MET HG3 4.140 . 4.270 3.417 2.581 3.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 49 LEU H 1 50 GLY H 3.950 . 3.950 3.000 2.029 3.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 49 LEU HA 1 50 GLY H 4.040 . 4.040 3.433 2.318 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 50 GLY H 1 51 GLN H 3.460 . 3.460 2.585 1.899 3.473 0.013 24 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 50 GLY HA2 1 51 GLN H 6.000 . 6.000 3.116 2.131 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 50 GLY HA2 1 51 GLN HB2 6.000 . 9.400 5.585 4.535 6.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 50 GLY HA2 1 51 GLN HB3 6.000 . 9.400 5.962 4.397 6.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 50 GLY HA2 1 51 GLN HG2 6.000 . 9.400 6.404 4.081 7.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 50 GLY HA2 1 51 GLN HG3 6.000 . 9.400 6.244 4.278 7.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 50 GLY HA3 1 51 GLN H 3.650 . 6.000 2.960 2.123 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 50 GLY HA3 1 51 GLN HB2 6.000 . 9.400 5.119 4.067 6.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 50 GLY HA3 1 51 GLN HB3 6.000 . 9.400 5.674 4.224 6.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 50 GLY HA3 1 51 GLN HG2 6.000 . 9.400 5.869 3.339 7.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 50 GLY HA3 1 51 GLN HG3 6.000 . 9.400 5.756 3.416 7.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 51 GLN H 1 51 GLN HA 3.420 2.410 3.420 3.028 3.003 3.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 51 GLN H 1 51 GLN HB2 3.310 . 5.010 3.010 2.225 4.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 51 GLN H 1 51 GLN HB3 3.310 . 5.010 3.354 2.420 4.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 51 GLN H 1 52 ASN H 6.000 . 6.000 4.428 3.219 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 51 GLN HA 1 51 GLN HG2 4.080 . 6.000 3.257 2.154 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 51 GLN HA 1 52 ASN H 2.750 . 2.750 2.634 2.189 2.764 0.014 40 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 51 GLN HB2 1 52 ASN H 6.000 . 7.700 3.263 1.900 4.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 51 GLN HB3 1 52 ASN H 6.000 . 7.700 2.691 1.900 4.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 51 GLN HE22 1 51 GLN HG2 3.420 . 5.120 3.849 3.558 4.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 51 GLN HE22 1 51 GLN HG3 3.420 . 5.120 3.804 3.554 4.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 52 ASN H 1 52 ASN HA 3.420 2.410 3.420 3.011 2.983 3.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 52 ASN H 1 52 ASN HB2 3.240 2.160 3.240 3.169 2.714 3.333 0.093 35 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 52 ASN H 1 52 ASN HB3 3.070 2.160 3.240 3.178 2.891 3.440 0.200 35 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 52 ASN H 1 53 PRO HD2 6.000 . 6.000 4.490 4.456 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 52 ASN H 1 53 PRO HD3 3.470 2.440 3.470 3.480 3.470 3.536 0.066 35 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 52 ASN HA 1 53 PRO HB2 6.000 . 7.700 5.525 4.980 5.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 52 ASN HA 1 53 PRO HB3 6.000 . 7.700 5.487 5.221 5.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 52 ASN HA 1 53 PRO HD2 2.280 . 2.280 2.298 2.289 2.320 0.040 35 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 52 ASN HA 1 53 PRO HD3 2.600 . 2.600 2.613 2.608 2.644 0.044 35 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 52 ASN HB2 1 52 ASN HD21 2.880 2.020 3.140 2.562 2.188 3.274 0.134 40 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 52 ASN HB2 1 53 PRO HD2 6.000 . 7.700 4.901 4.721 5.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 52 ASN HB3 1 52 ASN HD21 3.140 2.020 3.140 2.637 2.188 3.285 0.145 40 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 52 ASN HB3 1 53 PRO HD2 6.000 . 7.700 4.905 4.508 5.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 53 PRO HB2 1 54 THR H 3.360 2.300 3.360 2.682 2.299 3.362 0.002 34 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 53 PRO HB2 1 58 LEU MD1 5.200 . 7.600 3.564 1.585 6.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 53 PRO HB2 1 58 LEU MD2 5.200 . 7.600 3.844 1.817 5.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 53 PRO HB2 1 58 LEU HG 6.000 . 7.700 3.621 2.503 5.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 53 PRO HB3 1 54 THR H 3.270 2.300 3.360 3.156 2.676 3.377 0.017 17 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 53 PRO HB3 1 58 LEU MD1 5.020 . 7.600 4.631 1.764 6.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 53 PRO HB3 1 58 LEU MD2 5.200 . 7.600 4.637 2.598 6.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 53 PRO HB3 1 58 LEU HG 6.000 . 7.700 4.710 2.922 7.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 54 THR H 1 54 THR HA 3.420 2.410 3.420 3.039 2.965 3.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 54 THR H 1 54 THR MG 4.100 2.180 4.100 2.785 2.179 3.305 0.001 18 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 54 THR H 1 57 GLU H 6.000 . 6.000 4.069 3.475 4.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 54 THR HA 1 54 THR MG 4.300 2.210 4.300 3.248 3.076 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 54 THR HA 1 55 LYS H 3.240 2.270 3.240 2.458 2.269 2.728 0.001 2 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 54 THR HA 1 55 LYS HA 6.000 . 6.000 4.376 4.337 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 54 THR HB 1 54 THR MG 4.120 2.080 4.120 2.172 2.172 2.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 54 THR MG 1 55 LYS H 5.180 2.930 5.180 2.661 2.031 3.786 0.899 4 14 "[ *+** 1 * . 2 * ** * *-*** 4]" 1
651 1 54 THR MG 1 55 LYS QE 6.490 2.210 6.490 4.034 2.774 4.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 54 THR MG 1 56 GLU H 7.000 . 7.000 1.847 1.322 2.965 0.378 3 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 54 THR MG 1 56 GLU HA 5.940 2.430 5.940 3.978 3.602 4.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 54 THR MG 1 58 LEU H 7.000 . 7.000 3.568 3.052 4.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 55 LYS H 1 55 LYS HA 3.420 2.410 3.420 2.944 2.849 3.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 55 LYS H 1 55 LYS HB2 3.230 . 6.000 2.838 2.152 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 55 LYS H 1 55 LYS HD2 6.000 . 7.700 4.435 2.015 6.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 55 LYS H 1 55 LYS HD3 6.000 . 7.700 4.525 2.363 6.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 55 LYS H 1 55 LYS QG 5.030 2.830 5.030 3.434 2.149 4.209 0.681 5 3 "[ + 1 . 2- . 3 *. 4]" 1
660 1 55 LYS HA 1 55 LYS HD2 5.330 . 7.030 4.513 3.233 5.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 55 LYS HA 1 55 LYS HD3 5.330 . 7.030 4.637 2.435 5.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 55 LYS HA 1 55 LYS QE 5.160 2.040 5.160 3.775 1.955 4.639 0.085 5 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 55 LYS HA 1 55 LYS QG 4.910 . 4.910 2.780 2.132 3.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 55 LYS HA 1 56 GLU H 4.360 3.060 4.360 3.538 3.515 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 55 LYS HA 1 57 GLU H 6.000 . 6.000 4.511 4.271 5.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 55 LYS HA 1 58 LEU H 6.000 . 6.000 3.739 3.395 4.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 55 LYS HA 1 58 LEU QB 5.460 2.190 5.460 2.833 2.186 3.487 0.004 6 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 55 LYS HA 1 58 LEU MD1 4.540 . 6.940 3.278 1.732 5.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 55 LYS HA 1 58 LEU MD2 4.540 . 6.940 4.638 2.662 5.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 55 LYS HA 1 58 LEU HG 6.000 . 6.000 4.582 3.059 5.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 55 LYS HA 1 59 ASP H 6.000 . 6.000 4.739 4.177 5.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 55 LYS HB2 1 56 GLU H 3.680 . 5.380 3.443 2.364 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 55 LYS HB3 1 56 GLU H 3.680 . 5.380 3.333 2.244 4.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 55 LYS HD2 1 56 GLU H 6.000 . 7.700 4.687 2.208 6.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 55 LYS HD3 1 56 GLU H 6.000 . 7.700 5.142 2.323 6.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 55 LYS QE 1 55 LYS QG 5.700 . 5.700 2.589 2.138 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 55 LYS QG 1 56 GLU H 5.780 3.360 5.780 3.820 2.531 4.681 0.829 34 8 "[ - . 1* *.* * 2* . * 3 +. 4]" 1
678 1 56 GLU H 1 56 GLU HA 3.420 2.410 3.420 2.934 2.830 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 56 GLU H 1 56 GLU HB2 3.480 . 5.180 2.359 2.156 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 56 GLU H 1 56 GLU HB3 3.480 . 5.180 3.309 2.395 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 56 GLU H 1 56 GLU HG2 4.610 2.820 4.610 4.022 2.819 4.623 0.013 30 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 56 GLU H 1 56 GLU HG3 4.020 2.820 4.610 3.914 2.834 4.625 0.015 30 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 56 GLU H 1 57 GLU H 3.650 . 3.650 2.599 2.411 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 56 GLU HA 1 56 GLU HG2 4.530 . 4.530 2.764 2.130 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 56 GLU HA 1 56 GLU HG3 4.020 . 4.530 3.114 2.257 3.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 56 GLU HA 1 57 GLU H 6.000 . 6.000 3.544 3.521 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 56 GLU HA 1 59 ASP H 6.000 . 6.000 3.710 3.249 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 56 GLU HA 1 59 ASP HB2 4.440 2.180 4.440 3.597 2.753 4.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 56 GLU HA 1 59 ASP HB3 3.900 2.180 4.440 3.490 2.730 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 56 GLU HB2 1 57 GLU H 3.800 2.370 3.800 3.195 2.541 3.811 0.011 18 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 56 GLU HB3 1 57 GLU H 3.370 2.370 3.800 3.159 2.384 3.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 56 GLU HG2 1 57 GLU H 6.000 . 7.700 4.818 1.992 5.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 56 GLU HG3 1 57 GLU H 6.000 . 7.700 4.898 2.267 5.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 57 GLU H 1 57 GLU HA 3.420 2.410 3.420 2.940 2.834 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 57 GLU H 1 58 LEU H 3.610 . 3.610 2.570 2.365 2.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 57 GLU H 1 59 ASP H 6.000 . 6.000 4.156 3.834 4.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 57 GLU HA 1 60 ALA H 6.000 . 6.000 3.693 3.183 4.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 57 GLU HA 1 60 ALA MB 6.380 . 6.380 3.183 2.561 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 58 LEU H 1 58 LEU QB 5.390 2.110 5.390 2.188 2.075 2.467 0.035 14 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 58 LEU H 1 58 LEU HG 4.360 2.100 4.360 3.509 2.463 4.362 0.002 27 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 58 LEU H 1 59 ASP H 3.830 . 3.830 2.576 2.398 2.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 58 LEU H 1 60 ALA H 6.000 . 6.000 4.170 3.864 4.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 58 LEU HA 1 58 LEU MD1 4.070 2.050 4.850 3.410 1.832 3.960 0.218 27 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 58 LEU HA 1 58 LEU MD2 4.850 2.050 4.850 2.499 1.713 3.872 0.337 4 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 58 LEU HA 1 58 LEU HG 4.310 2.120 4.310 2.725 2.121 3.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 58 LEU HA 1 59 ASP H 6.000 . 6.000 3.530 3.507 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 58 LEU HA 1 61 ILE H 3.780 2.660 3.780 3.369 3.138 3.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 58 LEU HA 1 61 ILE HB 3.750 . 3.750 2.575 2.127 3.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 58 LEU HA 1 61 ILE MG 5.330 2.890 5.330 3.789 3.302 4.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 58 LEU HA 1 62 ILE H 6.000 . 6.000 4.581 4.370 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 58 LEU QB 1 59 ASP H 4.710 2.610 4.710 2.781 2.471 2.918 0.139 18 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 58 LEU MD1 1 58 LEU HG 4.120 2.080 4.120 2.186 2.181 2.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 58 LEU MD2 1 58 LEU HG 4.120 2.080 4.120 2.185 2.176 2.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 59 ASP H 1 59 ASP HA 3.420 2.410 3.420 2.905 2.831 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 59 ASP H 1 59 ASP HB2 3.650 2.570 3.760 2.629 2.569 2.816 0.001 6 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 59 ASP H 1 59 ASP HB3 3.760 2.570 3.760 2.700 2.570 3.745 0.000 14 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 59 ASP H 1 60 ALA H 3.760 . 3.760 2.653 2.461 2.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 59 ASP HA 1 60 ALA H 4.450 3.130 4.450 3.524 3.508 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 59 ASP HA 1 62 ILE H 6.000 . 6.000 3.791 3.474 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 59 ASP HA 1 62 ILE HB 3.740 . 3.740 3.237 2.897 3.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 59 ASP HA 1 62 ILE MD 5.360 2.810 5.360 4.223 3.877 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 59 ASP HA 1 62 ILE MG 5.480 2.990 5.480 4.412 3.797 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 59 ASP HB2 1 60 ALA H 3.880 2.730 4.070 3.956 2.904 4.072 0.002 6 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 59 ASP HB3 1 60 ALA H 4.070 2.730 4.070 2.926 2.729 3.991 0.001 14 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 60 ALA H 1 60 ALA HA 3.420 2.410 3.420 2.963 2.929 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 60 ALA H 1 60 ALA MB 3.950 2.070 3.950 2.329 2.317 2.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 60 ALA H 1 61 ILE HA 6.000 . 6.000 5.285 5.166 5.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 60 ALA H 1 62 ILE H 6.000 . 6.000 4.118 3.917 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 60 ALA H 1 63 GLU H 6.000 . 6.000 4.688 4.509 4.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 60 ALA HA 1 61 ILE H 6.000 . 6.000 3.540 3.506 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 60 ALA HA 1 61 ILE HA 6.000 . 6.000 4.982 4.913 5.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 60 ALA HA 1 63 GLU H 6.000 . 6.000 3.296 2.971 3.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 60 ALA HA 1 63 GLU HB2 4.000 . 4.000 2.428 1.900 3.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 60 ALA HA 1 63 GLU HB3 3.810 . 4.000 2.793 2.238 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 60 ALA HA 1 64 GLU H 6.000 . 6.000 4.542 4.227 5.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 60 ALA MB 1 61 ILE H 4.630 2.550 4.630 2.637 2.344 2.836 0.206 18 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 60 ALA MB 1 62 ILE H 7.000 . 7.000 4.544 4.381 4.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 60 ALA MB 1 63 GLU HB2 7.000 . 7.000 4.057 3.530 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 60 ALA MB 1 63 GLU HB3 7.000 . 7.000 3.862 3.509 4.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 60 ALA MB 1 64 GLU H 7.000 . 7.000 4.945 4.671 5.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 61 ILE H 1 61 ILE HA 3.420 2.410 3.420 2.904 2.818 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 61 ILE H 1 61 ILE HB 2.950 2.070 2.950 2.290 2.223 2.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 61 ILE H 1 61 ILE HG12 3.320 2.340 3.620 3.571 2.339 3.721 0.101 7 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 61 ILE H 1 61 ILE HG13 3.620 2.340 3.620 3.542 3.044 3.690 0.070 6 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 61 ILE H 1 62 ILE H 6.000 . 6.000 2.660 2.476 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 61 ILE HA 1 61 ILE MD 4.820 2.550 4.820 3.150 2.105 3.554 0.445 6 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 61 ILE HA 1 61 ILE HG12 2.580 . 3.520 2.289 2.049 3.668 0.148 16 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 61 ILE HA 1 61 ILE HG13 3.520 . 3.520 3.281 2.503 3.580 0.060 6 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 61 ILE HA 1 61 ILE MG 4.320 2.210 4.320 2.862 2.457 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 61 ILE HA 1 62 ILE H 6.000 . 6.000 3.546 3.530 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 61 ILE HA 1 62 ILE HA 6.000 . 6.000 4.863 4.829 4.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 61 ILE HA 1 64 GLU H 6.000 . 6.000 3.939 3.622 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 61 ILE HB 1 61 ILE MG 4.120 2.080 4.120 2.187 2.183 2.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 61 ILE HB 1 62 ILE HA 6.000 . 6.000 5.017 4.431 5.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 61 ILE HG12 1 61 ILE MG 4.460 2.310 4.940 3.017 2.427 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 61 ILE HG13 1 61 ILE MG 4.940 2.310 4.940 2.946 2.245 3.203 0.065 6 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 61 ILE MG 1 62 ILE HA 5.250 2.840 5.250 3.165 2.893 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 61 ILE MG 1 62 ILE HG12 5.370 . 7.070 3.158 2.325 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 61 ILE MG 1 62 ILE HG13 5.370 . 7.070 3.094 2.465 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 62 ILE H 1 63 GLU H 3.780 . 3.780 2.392 2.270 2.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 62 ILE HA 1 62 ILE MD 4.610 . 4.610 3.664 3.440 3.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 62 ILE HA 1 62 ILE HG12 3.730 . 3.730 2.329 2.167 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 62 ILE HA 1 62 ILE HG13 3.570 . 3.730 3.191 2.339 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 62 ILE HA 1 63 GLU H 6.000 . 6.000 3.537 3.515 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 62 ILE HA 1 63 GLU HA 6.000 . 6.000 5.041 4.967 5.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 62 ILE HA 1 64 GLU H 6.000 . 6.000 4.125 3.740 4.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 62 ILE HB 1 62 ILE MD 4.490 2.260 4.490 2.758 2.346 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 62 ILE HB 1 62 ILE MG 4.120 2.080 4.120 2.190 2.189 2.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 62 ILE HB 1 63 GLU H 3.380 2.370 3.380 2.891 2.617 3.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 62 ILE MD 1 62 ILE HG12 4.120 2.010 4.120 2.183 2.165 2.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 62 ILE MD 1 62 ILE HG13 4.120 2.010 4.120 2.181 2.159 2.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 62 ILE MD 1 62 ILE MG 5.000 2.040 5.000 1.943 1.850 2.415 0.190 37 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 62 ILE MD 1 72 THR HA 4.930 2.870 4.930 3.206 2.746 3.819 0.124 35 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 62 ILE HG12 1 62 ILE MG 4.550 2.400 4.600 2.770 2.330 2.967 0.070 13 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 62 ILE HG13 1 62 ILE MG 4.600 2.400 4.600 3.234 3.135 3.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 62 ILE MG 1 63 GLU H 7.000 . 7.000 3.353 2.844 3.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 62 ILE MG 1 63 GLU HA 5.350 2.140 5.350 3.509 3.156 3.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 62 ILE MG 1 64 GLU H 7.000 . 7.000 4.868 4.576 5.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 62 ILE MG 1 65 VAL MG1 6.310 . 8.710 4.406 2.750 6.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 62 ILE MG 1 65 VAL MG2 6.310 . 8.710 4.780 3.103 5.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 62 ILE MG 1 66 ASP HB2 7.000 . 8.700 2.633 1.801 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 62 ILE MG 1 66 ASP HB3 7.000 . 8.700 3.303 1.892 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 62 ILE MG 1 71 GLY HA2 7.000 . 7.000 2.757 2.251 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 62 ILE MG 1 71 GLY HA3 3.830 . 7.000 3.908 2.861 5.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 62 ILE MG 1 72 THR HA 5.330 2.940 5.330 4.181 3.705 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 62 ILE MG 1 73 ILE HG12 4.840 . 6.540 4.100 3.028 5.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 62 ILE MG 1 73 ILE HG13 4.840 . 6.540 3.929 2.871 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 63 GLU H 1 63 GLU HA 3.420 2.410 3.420 2.844 2.806 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 63 GLU H 1 63 GLU HB2 3.180 2.240 3.520 2.389 2.237 3.027 0.003 18 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 63 GLU H 1 63 GLU HB3 3.520 2.240 3.520 2.911 2.277 3.530 0.010 40 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 63 GLU H 1 64 GLU H 3.810 . 3.810 2.861 2.562 3.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 63 GLU HA 1 64 GLU H 6.000 . 6.000 3.544 3.514 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 63 GLU HA 1 66 ASP HB2 4.350 . 6.050 4.140 2.501 5.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 63 GLU HA 1 66 ASP HB3 4.350 . 6.050 3.964 2.239 5.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 64 GLU H 1 64 GLU HA 3.420 2.410 3.420 2.929 2.841 3.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 64 GLU H 1 64 GLU HG2 4.170 2.930 4.540 4.020 2.952 4.543 0.003 16 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 64 GLU H 1 64 GLU HG3 4.540 2.930 4.540 4.185 3.188 4.544 0.004 20 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 64 GLU HA 1 65 VAL H 6.000 . 6.000 3.389 2.119 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 65 VAL H 1 66 ASP H 4.720 . 4.720 3.712 1.899 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 65 VAL HB 1 65 VAL MG1 4.120 2.080 4.120 2.183 2.179 2.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 65 VAL HB 1 65 VAL MG2 4.120 2.080 4.120 2.182 2.180 2.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 65 VAL MG1 1 73 ILE MG 5.680 . 8.080 4.604 3.405 5.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 65 VAL MG1 1 81 MET ME 6.060 . 8.460 2.928 0.933 5.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 65 VAL MG2 1 73 ILE MG 5.680 . 8.080 4.546 3.555 5.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 65 VAL MG2 1 81 MET ME 6.060 . 8.460 3.081 1.142 5.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 66 ASP H 1 66 ASP HB2 4.660 2.240 4.850 3.251 2.347 3.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 66 ASP H 1 66 ASP HB3 4.850 2.240 4.850 3.676 2.967 4.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 66 ASP HB2 1 67 GLU H 3.920 . 5.620 4.621 4.312 4.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 66 ASP HB2 1 69 GLY H 6.000 . 7.700 5.374 4.440 7.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 66 ASP HB3 1 67 GLU H 3.920 . 5.620 4.385 4.275 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 66 ASP HB3 1 69 GLY H 6.000 . 7.700 4.260 2.854 5.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 67 GLU H 1 67 GLU HA 3.420 2.410 3.420 3.004 2.864 3.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 67 GLU H 1 67 GLU HB2 3.150 . 4.850 2.806 2.223 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 67 GLU H 1 67 GLU HB3 3.150 . 4.850 3.038 2.434 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 67 GLU H 1 67 GLU HG2 3.620 . 5.320 3.881 1.914 4.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 67 GLU H 1 67 GLU HG3 3.620 . 5.320 3.989 1.978 4.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 67 GLU H 1 68 ASP H 3.790 . 3.790 2.767 2.275 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 67 GLU HA 1 67 GLU HG2 3.810 . 5.510 3.302 2.216 4.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 67 GLU HA 1 67 GLU HG3 3.810 . 5.510 3.235 2.193 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 67 GLU HA 1 68 ASP H 4.040 . 4.040 3.163 2.777 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 67 GLU HA 1 68 ASP HA 6.000 . 6.000 4.727 4.571 4.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 67 GLU HB2 1 68 ASP H 3.820 . 5.520 4.110 2.935 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 67 GLU HB3 1 68 ASP H 3.820 . 5.520 4.007 2.925 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 68 ASP H 1 68 ASP HB3 3.950 . 6.000 3.224 2.440 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 68 ASP H 1 69 GLY H 3.330 . 3.330 2.242 1.900 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 68 ASP H 1 70 SER H 6.000 . 6.000 4.606 3.382 6.003 0.003 26 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 68 ASP HB2 1 69 GLY H 6.000 . 7.700 3.594 2.345 4.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 68 ASP HB3 1 69 GLY H 6.000 . 7.700 3.931 2.985 4.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 69 GLY H 1 70 SER H 3.980 . 3.980 2.712 1.936 3.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 69 GLY H 1 71 GLY H 6.000 . 6.000 4.228 3.186 5.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 69 GLY HA2 1 70 SER H 6.000 . 6.000 2.762 2.098 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 69 GLY HA2 1 70 SER HA 4.260 . 5.960 4.738 4.452 5.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 69 GLY HA3 1 70 SER H 6.000 . 6.000 3.353 2.858 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 69 GLY HA3 1 70 SER HA 4.260 . 5.960 4.687 4.472 4.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 70 SER H 1 70 SER HB2 4.160 . 5.860 3.839 3.617 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 70 SER H 1 70 SER HB3 4.160 . 5.860 3.171 2.303 4.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 70 SER H 1 71 GLY H 3.980 . 3.980 2.477 1.900 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 70 SER H 1 71 GLY HA2 6.000 . 7.700 4.547 3.868 5.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 70 SER H 1 71 GLY HA3 6.000 . 7.700 4.942 4.195 5.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 70 SER HB2 1 72 THR HB 6.000 . 7.700 5.339 4.844 5.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 70 SER HB3 1 72 THR HB 6.000 . 7.700 6.884 6.478 7.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 71 GLY H 1 72 THR H 2.860 . 2.860 2.637 2.070 2.865 0.005 38 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 71 GLY HA2 1 72 THR H 3.520 2.360 3.520 3.359 2.911 3.538 0.018 33 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 71 GLY HA2 1 72 THR HB 6.000 . 7.700 6.631 6.303 6.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 71 GLY HA2 1 72 THR MG 7.000 . 8.700 4.998 4.329 5.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 71 GLY HA3 1 72 THR H 3.360 2.360 3.520 3.086 2.840 3.524 0.004 17 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 71 GLY HA3 1 72 THR HB 6.000 . 7.700 6.193 6.027 6.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 71 GLY HA3 1 72 THR MG 7.000 . 8.700 4.103 3.585 4.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 72 THR H 1 72 THR HA 3.420 2.410 3.420 3.024 2.975 3.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 72 THR H 1 72 THR MG 4.270 2.290 4.270 3.228 2.468 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 72 THR HA 1 72 THR MG 4.500 2.340 4.500 2.398 2.306 2.519 0.034 33 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 72 THR HA 1 73 ILE H 4.040 . 4.040 2.466 2.165 2.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 72 THR HA 1 73 ILE MG 7.000 . 7.000 5.632 5.589 5.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 72 THR HB 1 72 THR MG 4.120 2.080 4.120 2.174 2.173 2.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 72 THR HB 1 73 ILE H 4.470 . 4.470 2.339 1.899 3.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 72 THR MG 1 73 ILE H 7.000 . 7.000 3.511 3.029 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 73 ILE H 1 73 ILE HG12 4.660 . 4.870 3.991 2.753 4.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 73 ILE H 1 73 ILE HG13 4.870 . 4.870 3.628 2.685 4.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 73 ILE HA 1 73 ILE HG12 3.920 . 6.000 2.934 2.307 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 73 ILE HA 1 74 ASP H 4.040 . 4.040 2.280 2.125 2.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 73 ILE HB 1 73 ILE MG 4.120 2.080 4.120 2.187 2.187 2.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 73 ILE MG 1 74 ASP H 5.990 . 5.990 3.642 1.991 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 73 ILE MG 1 78 PHE H 4.370 2.370 4.370 3.414 3.102 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 73 ILE MG 1 78 PHE HA 4.660 . 4.660 2.897 2.514 3.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 73 ILE MG 1 78 PHE HB2 4.960 . 4.960 2.561 2.236 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 73 ILE MG 1 78 PHE HB3 4.610 . 4.960 4.016 3.642 4.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 73 ILE MG 1 81 MET ME 8.000 . 8.000 3.922 1.928 5.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 74 ASP H 1 77 GLU HG2 4.850 . 6.550 4.053 2.332 5.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 74 ASP H 1 77 GLU HG3 4.850 . 6.550 5.074 2.481 5.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 74 ASP HA 1 75 PHE H 3.070 2.160 3.070 2.524 2.333 2.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 74 ASP HB2 1 75 PHE H 2.890 2.030 3.330 2.801 2.074 3.446 0.116 38 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 74 ASP HB3 1 75 PHE H 3.330 2.030 3.330 2.628 2.197 3.437 0.107 30 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 75 PHE H 1 75 PHE HA 3.420 2.410 3.420 2.940 2.854 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 75 PHE H 1 75 PHE HB2 3.030 2.040 3.030 2.500 2.287 2.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 75 PHE H 1 75 PHE HB3 2.900 2.040 3.030 2.723 2.524 2.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
876 1 75 PHE H 1 76 GLU H 3.440 . 3.440 2.546 2.336 2.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
877 1 75 PHE HA 1 75 PHE QD 3.490 . 5.640 2.460 1.773 3.247 0.147 4 0 "[ . 1 . 2 . 3 . 4]" 1
878 1 75 PHE HA 1 78 PHE H 3.630 2.550 3.630 3.592 3.476 3.641 0.011 32 0 "[ . 1 . 2 . 3 . 4]" 1
879 1 75 PHE HA 1 78 PHE HB2 3.650 . 3.850 3.272 2.685 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
880 1 75 PHE HA 1 78 PHE HB3 3.850 . 3.850 2.825 2.331 3.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
881 1 75 PHE HA 1 79 LEU H 4.830 2.330 4.830 4.436 3.944 4.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
882 1 75 PHE HB2 1 75 PHE QD 3.690 2.020 5.840 2.604 2.337 2.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
883 1 75 PHE HB2 1 76 GLU H 3.770 . 5.470 3.870 3.735 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
884 1 75 PHE HB3 1 75 PHE QD 3.690 2.020 5.840 2.546 2.350 2.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
885 1 75 PHE HB3 1 76 GLU H 3.770 . 5.470 2.836 2.397 3.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
886 1 75 PHE QE 1 79 LEU MD1 4.890 . 7.040 2.650 1.181 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
887 1 75 PHE QE 1 79 LEU MD2 4.890 . 7.040 2.790 1.402 4.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
888 1 75 PHE HZ 1 79 LEU MD1 5.530 . 7.930 3.586 2.643 5.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
889 1 75 PHE HZ 1 79 LEU MD2 5.530 . 7.930 3.556 2.513 4.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
890 1 76 GLU H 1 76 GLU HA 3.420 2.410 3.420 2.954 2.872 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
891 1 76 GLU H 1 76 GLU HB2 3.220 2.260 3.660 3.154 2.326 3.678 0.018 22 0 "[ . 1 . 2 . 3 . 4]" 1
892 1 76 GLU H 1 76 GLU HB3 3.660 2.260 3.660 3.297 2.280 3.738 0.078 8 0 "[ . 1 . 2 . 3 . 4]" 1
893 1 76 GLU H 1 76 GLU QG 4.070 2.160 4.070 2.418 1.529 3.667 0.631 32 5 "[ . * .* 2 . 3 + *. -]" 1
894 1 76 GLU H 1 77 GLU H 3.170 . 3.170 2.826 2.510 3.183 0.013 4 0 "[ . 1 . 2 . 3 . 4]" 1
895 1 76 GLU HA 1 76 GLU QG 4.990 . 4.990 3.059 2.268 3.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
896 1 76 GLU HA 1 77 GLU H 6.000 . 6.000 3.305 2.706 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
897 1 76 GLU HA 1 79 LEU H 4.760 2.290 4.760 4.168 3.736 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 1 76 GLU HA 1 79 LEU MD1 4.900 . 7.300 3.460 2.344 5.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
899 1 76 GLU HA 1 79 LEU MD2 4.900 . 7.300 5.168 2.459 5.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
900 1 77 GLU H 1 77 GLU HA 3.420 2.410 3.420 2.983 2.951 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
901 1 77 GLU H 1 78 PHE H 3.270 . 3.270 2.279 1.898 2.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
902 1 77 GLU H 1 79 LEU H 6.000 . 6.000 3.826 2.691 4.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
903 1 77 GLU HA 1 78 PHE H 6.000 . 6.000 3.518 3.469 3.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
904 1 77 GLU HA 1 80 VAL H 6.000 . 6.000 3.440 3.104 4.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
905 1 77 GLU HA 1 80 VAL HB 4.080 . 4.080 2.864 2.339 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
906 1 77 GLU HA 1 80 VAL MG1 5.150 2.040 5.150 3.662 1.820 4.269 0.220 6 0 "[ . 1 . 2 . 3 . 4]" 1
907 1 77 GLU HA 1 80 VAL MG2 4.780 2.040 5.150 3.154 1.893 4.286 0.147 9 0 "[ . 1 . 2 . 3 . 4]" 1
908 1 77 GLU HA 1 81 MET H 6.000 . 6.000 4.478 4.146 5.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 1 77 GLU HG2 1 78 PHE H 3.720 . 5.420 3.563 2.479 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
910 1 77 GLU HG2 1 78 PHE HA 3.900 . 5.600 3.964 3.056 5.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
911 1 77 GLU HG3 1 78 PHE H 3.720 . 5.420 4.222 2.760 4.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
912 1 77 GLU HG3 1 78 PHE HA 3.900 . 5.600 4.527 3.166 5.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
913 1 78 PHE H 1 78 PHE HA 3.420 2.410 3.420 2.904 2.852 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
914 1 78 PHE H 1 78 PHE HB2 3.170 2.230 3.240 2.542 2.321 2.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
915 1 78 PHE H 1 78 PHE HB3 3.240 2.230 3.240 2.659 2.503 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
916 1 78 PHE H 1 79 LEU H 3.420 . 3.420 2.693 2.510 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
917 1 78 PHE HA 1 79 LEU H 6.000 . 6.000 3.543 3.512 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
918 1 78 PHE HA 1 81 MET H 4.010 2.820 4.010 3.651 3.389 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
919 1 78 PHE HB2 1 79 LEU H 4.830 . 6.530 3.852 3.567 4.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
920 1 78 PHE HB3 1 79 LEU H 4.830 . 6.530 2.661 2.078 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
921 1 79 LEU H 1 79 LEU MD1 5.750 2.280 5.750 3.541 2.270 4.371 0.010 28 0 "[ . 1 . 2 . 3 . 4]" 1
922 1 79 LEU H 1 79 LEU MD2 5.740 2.280 5.750 3.611 1.949 4.436 0.331 24 0 "[ . 1 . 2 . 3 . 4]" 1
923 1 79 LEU H 1 79 LEU HG 3.860 . 3.860 2.850 1.915 3.863 0.003 16 0 "[ . 1 . 2 . 3 . 4]" 1
924 1 79 LEU H 1 80 VAL H 3.480 . 3.480 2.573 2.382 3.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 1 79 LEU H 1 81 MET H 6.000 . 6.000 4.073 3.831 4.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 1 79 LEU HA 1 79 LEU MD2 4.240 . 5.900 2.518 1.756 4.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 1 79 LEU HA 1 79 LEU HG 3.830 . 3.830 3.019 2.240 3.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
928 1 79 LEU HA 1 80 VAL H 6.000 . 6.000 3.511 2.762 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 1 79 LEU HA 1 82 MET H 3.810 2.670 3.810 3.692 3.349 3.826 0.016 36 0 "[ . 1 . 2 . 3 . 4]" 1
930 1 79 LEU HA 1 82 MET HG2 4.100 . 5.800 4.763 2.521 5.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
931 1 79 LEU HA 1 82 MET HG3 4.100 . 5.800 4.464 3.715 5.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 1 79 LEU MD1 1 81 MET H 7.000 . 9.400 6.349 5.634 6.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
933 1 79 LEU MD1 1 82 MET HG2 6.400 . 10.500 7.400 5.060 8.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
934 1 79 LEU MD1 1 82 MET HG3 6.400 . 10.500 6.892 5.455 7.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
935 1 79 LEU MD1 1 83 VAL HB 5.570 . 7.970 6.396 4.616 6.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
936 1 79 LEU MD2 1 81 MET H 7.000 . 9.400 5.899 5.161 7.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
937 1 79 LEU MD2 1 82 MET HG2 6.400 . 10.500 5.811 3.285 8.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
938 1 79 LEU MD2 1 82 MET HG3 6.400 . 10.500 5.178 4.160 7.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
939 1 79 LEU MD2 1 83 VAL HB 5.570 . 7.970 5.870 5.179 6.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
940 1 80 VAL H 1 80 VAL HA 3.420 2.410 3.420 2.940 2.885 3.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
941 1 80 VAL H 1 80 VAL HB 2.950 2.070 2.950 2.532 2.247 2.953 0.003 22 0 "[ . 1 . 2 . 3 . 4]" 1
942 1 80 VAL H 1 80 VAL MG2 3.900 . 7.000 2.762 1.752 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
943 1 80 VAL H 1 81 MET H 3.500 . 3.500 2.544 1.900 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
944 1 80 VAL HA 1 80 VAL MG1 4.090 2.260 4.090 2.758 2.361 3.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
945 1 80 VAL HA 1 80 VAL MG2 3.990 2.260 4.090 2.418 2.177 2.751 0.083 35 0 "[ . 1 . 2 . 3 . 4]" 1
946 1 80 VAL HA 1 81 MET H 6.000 . 6.000 3.533 3.509 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
947 1 80 VAL HA 1 83 VAL H 3.990 2.800 3.990 3.636 3.319 3.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
948 1 80 VAL HA 1 83 VAL HB 3.520 . 3.520 2.503 2.233 2.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
949 1 80 VAL HA 1 83 VAL QG 4.870 . 4.870 2.923 2.193 3.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
950 1 80 VAL HA 1 84 ARG H 6.000 . 6.000 4.314 3.960 4.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
951 1 80 VAL HB 1 80 VAL MG1 4.120 2.080 4.120 2.183 2.180 2.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
952 1 80 VAL HB 1 80 VAL MG2 4.120 2.080 4.120 2.182 2.179 2.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
953 1 80 VAL MG1 1 81 MET H 4.440 . 7.000 3.263 1.826 4.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
954 1 80 VAL MG1 1 81 MET HA 4.550 . 6.950 3.591 2.988 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
955 1 80 VAL MG1 1 84 ARG HD2 5.140 . 7.540 3.082 2.052 5.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
956 1 80 VAL MG1 1 84 ARG HD3 5.090 . 7.540 3.648 2.608 5.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
957 1 80 VAL MG1 1 84 ARG HE 7.000 . 9.400 4.924 2.852 6.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
958 1 80 VAL MG1 1 84 ARG HG2 5.300 . 9.400 5.044 4.007 6.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
959 1 80 VAL MG1 1 84 ARG HG3 5.300 . 9.400 3.920 2.846 5.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
960 1 80 VAL MG2 1 81 MET H 7.000 . 7.000 4.053 3.546 4.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
961 1 80 VAL MG2 1 81 MET HA 4.550 . 6.950 5.400 4.209 5.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
962 1 80 VAL MG2 1 84 ARG HD2 5.090 . 7.540 5.088 3.662 6.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
963 1 80 VAL MG2 1 84 ARG HD3 5.090 . 7.540 5.702 3.893 6.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
964 1 80 VAL MG2 1 84 ARG HE 7.000 . 9.400 6.868 3.140 7.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
965 1 80 VAL MG2 1 84 ARG HG2 5.300 . 9.400 6.726 4.836 7.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
966 1 80 VAL MG2 1 84 ARG HG3 5.300 . 9.400 5.437 3.501 6.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
967 1 81 MET H 1 81 MET HA 3.420 2.410 3.420 2.920 2.837 2.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
968 1 81 MET H 1 81 MET HB2 3.260 . 4.960 2.461 2.210 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
969 1 81 MET H 1 81 MET HB3 3.260 . 4.960 3.025 2.207 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
970 1 81 MET H 1 82 MET H 3.650 . 3.650 2.843 2.461 3.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
971 1 81 MET H 1 83 VAL H 6.000 . 6.000 3.955 3.827 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
972 1 81 MET HA 1 81 MET HG2 3.820 . 4.160 2.968 2.224 4.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
973 1 81 MET HA 1 81 MET HG3 4.160 . 4.160 2.870 2.203 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
974 1 81 MET HA 1 82 MET H 3.940 2.770 3.940 3.574 3.527 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
975 1 81 MET HA 1 84 ARG H 6.000 . 6.000 3.950 3.465 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
976 1 81 MET HA 1 84 ARG QB 4.980 . 4.980 3.317 2.549 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
977 1 81 MET HA 1 84 ARG HD2 7.000 . 8.700 4.146 3.174 5.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
978 1 81 MET HA 1 84 ARG HD3 7.000 . 8.700 3.208 2.186 5.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
979 1 81 MET HA 1 84 ARG HG2 6.000 . 7.700 5.710 5.026 6.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
980 1 81 MET HA 1 84 ARG HG3 6.000 . 7.700 5.026 4.195 6.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
981 1 81 MET HB2 1 82 MET H 3.890 . 5.590 3.310 2.248 4.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
982 1 81 MET HB3 1 82 MET H 3.890 . 5.590 2.484 2.003 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
983 1 82 MET H 1 82 MET HA 3.420 2.410 3.420 2.926 2.859 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
984 1 82 MET H 1 82 MET HB2 3.320 2.330 3.610 2.579 2.327 3.685 0.075 26 0 "[ . 1 . 2 . 3 . 4]" 1
985 1 82 MET H 1 82 MET HB3 3.610 2.330 3.610 3.412 2.327 3.705 0.095 11 0 "[ . 1 . 2 . 3 . 4]" 1
986 1 82 MET H 1 82 MET HG2 3.540 2.490 3.810 3.053 2.488 3.816 0.006 18 0 "[ . 1 . 2 . 3 . 4]" 1
987 1 82 MET H 1 82 MET HG3 3.810 2.490 3.810 3.702 3.187 3.827 0.017 5 0 "[ . 1 . 2 . 3 . 4]" 1
988 1 82 MET H 1 83 VAL H 3.610 . 3.610 2.606 2.324 2.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
989 1 82 MET H 1 83 VAL QG 7.000 . 9.400 4.696 4.391 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
990 1 82 MET HA 1 82 MET HG2 3.950 2.010 4.020 2.816 2.204 4.237 0.217 18 0 "[ . 1 . 2 . 3 . 4]" 1
991 1 82 MET HA 1 82 MET HG3 4.020 2.010 4.020 3.663 3.440 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
992 1 82 MET HA 1 83 VAL H 6.000 . 6.000 3.512 3.435 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
993 1 82 MET HA 1 85 GLN H 6.000 . 6.000 3.833 3.530 4.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
994 1 82 MET HA 1 85 GLN HB2 4.700 . 6.400 3.850 2.596 6.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
995 1 82 MET HA 1 85 GLN HB3 4.700 . 6.400 4.708 3.614 5.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
996 1 82 MET HB2 1 86 MET H 6.000 . 7.700 6.165 5.353 6.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
997 1 82 MET HB3 1 86 MET H 6.000 . 7.700 5.513 4.966 6.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
998 1 83 VAL H 1 83 VAL HA 3.420 2.410 3.420 2.938 2.902 2.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
999 1 83 VAL H 1 83 VAL HB 2.900 2.040 2.900 2.246 2.197 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1000 1 83 VAL H 1 83 VAL QG 4.660 2.140 4.660 2.961 2.409 3.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1001 1 83 VAL H 1 84 ARG H 3.670 . 3.670 2.573 2.394 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1002 1 83 VAL HA 1 84 ARG H 3.970 2.790 3.970 3.545 3.509 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1003 1 83 VAL HA 1 86 MET H 3.680 2.590 3.680 3.533 3.265 3.684 0.004 18 0 "[ . 1 . 2 . 3 . 4]" 1
1004 1 83 VAL HA 1 86 MET HB2 4.480 . 4.480 2.874 1.968 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1005 1 83 VAL HA 1 86 MET HB3 3.800 . 4.480 3.309 2.370 4.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1006 1 83 VAL HA 1 86 MET ME 5.390 2.160 5.390 2.387 1.613 3.542 0.547 22 1 "[ . 1 . 2 + . 3 . 4]" 1
1007 1 83 VAL HA 1 86 MET HG2 4.170 . 5.870 4.395 2.494 5.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1008 1 83 VAL HA 1 86 MET HG3 4.170 . 5.870 3.905 3.146 5.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1009 1 83 VAL HA 1 87 LYS H 6.000 . 6.000 4.695 4.114 5.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1010 1 83 VAL HB 1 84 ARG H 3.610 2.540 3.610 3.139 2.759 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1011 1 83 VAL QG 1 84 ARG H 5.230 2.970 5.310 2.683 2.185 3.292 0.785 27 14 "[ * * 1 * . * *2 *. +**-* ** *]" 1
1012 1 83 VAL QG 1 86 MET H 7.000 . 7.000 4.357 4.175 4.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1013 1 83 VAL QG 1 87 LYS H 7.000 . 9.400 4.374 4.034 5.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1014 1 84 ARG H 1 84 ARG HA 3.420 2.410 3.420 2.916 2.869 2.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1015 1 84 ARG H 1 84 ARG HG2 4.500 . 6.200 4.412 3.816 4.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1016 1 84 ARG H 1 84 ARG HG3 4.500 . 6.200 3.323 2.379 4.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1017 1 84 ARG H 1 85 GLN H 3.520 . 3.520 2.745 2.451 3.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1018 1 84 ARG HA 1 84 ARG HG2 2.930 . 2.930 2.814 2.310 2.934 0.004 9 0 "[ . 1 . 2 . 3 . 4]" 1
1019 1 84 ARG HA 1 84 ARG HG3 2.800 . 2.930 2.380 2.167 2.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1020 1 84 ARG HA 1 85 GLN H 3.950 2.770 3.950 3.564 3.527 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1021 1 84 ARG HA 1 85 GLN HA 6.000 . 6.000 4.886 4.824 4.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1022 1 84 ARG HA 1 86 MET H 6.000 . 6.000 4.419 4.207 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1023 1 84 ARG HA 1 87 LYS H 4.420 3.110 4.420 4.020 3.646 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1024 1 85 GLN H 1 85 GLN HA 3.420 2.410 3.420 2.964 2.914 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1025 1 85 GLN H 1 85 GLN HB2 3.060 . 4.760 2.725 2.221 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1026 1 85 GLN H 1 85 GLN HB3 3.060 . 4.760 3.339 2.286 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1027 1 85 GLN H 1 85 GLN HG2 3.740 2.630 3.770 3.250 2.645 3.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1028 1 85 GLN H 1 85 GLN HG3 3.770 2.630 3.770 3.227 2.630 3.772 0.002 10 0 "[ . 1 . 2 . 3 . 4]" 1
1029 1 85 GLN H 1 86 MET H 3.450 . 3.450 2.479 2.329 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1030 1 85 GLN HA 1 86 MET H 6.000 . 6.000 3.523 3.507 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1031 1 85 GLN HE21 1 85 GLN HG2 3.580 2.520 3.790 2.994 2.519 3.614 0.001 6 0 "[ . 1 . 2 . 3 . 4]" 1
1032 1 85 GLN HE21 1 85 GLN HG3 3.790 2.520 3.790 3.041 2.520 3.618 0.000 7 0 "[ . 1 . 2 . 3 . 4]" 1
1033 1 85 GLN HE22 1 85 GLN HG2 4.020 . 5.720 3.895 3.662 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1034 1 85 GLN HE22 1 85 GLN HG3 4.020 . 5.720 3.917 3.662 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1035 1 86 MET H 1 86 MET HA 3.420 2.410 3.420 2.889 2.847 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1036 1 86 MET H 1 86 MET HB2 3.440 2.150 3.440 2.594 2.187 3.511 0.071 8 0 "[ . 1 . 2 . 3 . 4]" 1
1037 1 86 MET H 1 86 MET HB3 3.050 2.150 3.440 3.071 2.194 3.457 0.017 23 0 "[ . 1 . 2 . 3 . 4]" 1
1038 1 86 MET H 1 86 MET HG2 3.320 2.330 4.080 3.845 3.287 4.089 0.009 37 0 "[ . 1 . 2 . 3 . 4]" 1
1039 1 86 MET H 1 86 MET HG3 4.080 2.330 4.080 3.876 3.680 4.151 0.071 9 0 "[ . 1 . 2 . 3 . 4]" 1
1040 1 86 MET H 1 87 LYS HB2 6.000 . 7.700 5.291 4.599 6.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1041 1 86 MET H 1 87 LYS HB3 6.000 . 7.700 5.888 4.705 6.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1042 1 86 MET HA 1 86 MET HG2 3.890 . 3.890 2.680 2.105 3.973 0.083 21 0 "[ . 1 . 2 . 3 . 4]" 1
1043 1 86 MET HA 1 86 MET HG3 3.560 . 3.890 3.269 3.126 3.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1044 1 86 MET HA 1 87 LYS H 3.910 2.750 3.910 3.533 3.486 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1045 1 86 MET HB2 1 87 LYS H 4.150 2.840 4.150 3.511 3.048 4.175 0.025 14 0 "[ . 1 . 2 . 3 . 4]" 1
1046 1 86 MET HB3 1 87 LYS H 4.040 2.840 4.150 3.233 2.839 3.564 0.001 27 0 "[ . 1 . 2 . 3 . 4]" 1
1047 1 87 LYS H 1 87 LYS HA 3.420 2.410 3.420 2.912 2.816 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1048 1 87 LYS H 1 87 LYS HB2 3.810 2.370 3.810 2.840 2.389 3.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1049 1 87 LYS H 1 87 LYS HB3 3.370 2.370 3.810 3.321 2.369 3.778 0.001 38 0 "[ . 1 . 2 . 3 . 4]" 1
1050 1 87 LYS H 1 87 LYS HG2 3.680 2.590 4.250 3.243 2.617 4.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1051 1 87 LYS H 1 87 LYS HG3 4.250 2.590 4.250 3.475 2.679 4.251 0.001 36 0 "[ . 1 . 2 . 3 . 4]" 1
1052 1 87 LYS H 1 89 ASP H 6.000 . 6.000 5.658 4.251 6.088 0.088 30 0 "[ . 1 . 2 . 3 . 4]" 1
1053 1 87 LYS HA 1 87 LYS HG2 3.940 . 3.940 2.910 2.230 3.949 0.009 27 0 "[ . 1 . 2 . 3 . 4]" 1
1054 1 87 LYS HA 1 87 LYS HG3 3.550 . 3.940 3.461 2.362 3.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1055 1 87 LYS HB2 1 88 GLU H 6.000 . 6.000 3.701 2.227 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1056 1 87 LYS HB3 1 88 GLU H 6.000 . 6.000 3.331 2.211 4.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1057 1 88 GLU H 1 88 GLU HB3 3.930 . 6.000 3.309 2.222 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1058 1 88 GLU H 1 88 GLU HG2 4.780 . 6.000 4.012 1.997 5.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1059 1 88 GLU H 1 89 ASP H 6.000 . 6.000 3.083 1.899 4.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1060 1 88 GLU HB2 1 89 ASP H 6.000 . 6.000 3.862 2.173 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1061 1 88 GLU HB3 1 89 ASP H 6.000 . 6.000 3.572 1.899 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1062 1 89 ASP H 1 89 ASP HA 3.420 2.410 3.420 2.871 2.407 3.067 0.003 16 0 "[ . 1 . 2 . 3 . 4]" 1
1063 1 89 ASP H 1 89 ASP HB3 2.960 . 6.000 3.416 2.465 4.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1064 1 89 ASP H 1 90 ALA H 6.000 . 6.000 3.781 1.910 4.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1065 1 89 ASP H 1 90 ALA MB 7.000 . 7.000 4.732 3.569 5.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1066 1 89 ASP HA 1 90 ALA HA 6.000 . 6.000 4.653 4.433 5.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1067 1 89 ASP HB2 1 90 ALA H 6.000 . 6.000 4.113 2.062 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1068 1 89 ASP HB3 1 90 ALA H 6.000 . 6.000 3.670 2.029 4.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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