NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401158 |
1veg   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1veg
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 820
_Distance_constraint_stats_list.Viol_count 1390
_Distance_constraint_stats_list.Viol_total 2251.627
_Distance_constraint_stats_list.Viol_max 0.934
_Distance_constraint_stats_list.Viol_rms 0.0450
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0810
_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 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.641 0.078 15 0 "[ . 1 . 2]"
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 MET 0.781 0.078 15 0 "[ . 1 . 2]"
1 12 TRP 1.235 0.218 13 0 "[ . 1 . 2]"
1 13 TRP 0.932 0.117 9 0 "[ . 1 . 2]"
1 14 LEU 3.864 0.338 9 0 "[ . 1 . 2]"
1 15 GLN 10.454 0.715 10 6 "[ . ** +* .* -]"
1 16 ASP 6.380 0.715 10 6 "[ . ** +* .* -]"
1 17 ALA 0.061 0.058 6 0 "[ . 1 . 2]"
1 18 ASP 1.273 0.586 17 1 "[ . 1 . + 2]"
1 19 PRO 0.586 0.586 17 1 "[ . 1 . + 2]"
1 20 GLU 0.329 0.236 20 0 "[ . 1 . 2]"
1 21 ASN 0.001 0.001 12 0 "[ . 1 . 2]"
1 22 ASN 0.095 0.041 10 0 "[ . 1 . 2]"
1 23 SER 0.344 0.142 11 0 "[ . 1 . 2]"
1 24 ARG 6.218 0.584 12 3 "[ . 1 +- .* 2]"
1 25 GLN 3.529 0.486 10 0 "[ . 1 . 2]"
1 26 ALA 0.721 0.197 11 0 "[ . 1 . 2]"
1 27 SER 0.815 0.338 7 0 "[ . 1 . 2]"
1 28 PRO 0.188 0.053 19 0 "[ . 1 . 2]"
1 29 SER 4.105 0.659 20 1 "[ . 1 . +]"
1 30 GLN 1.513 0.405 8 0 "[ . 1 . 2]"
1 31 GLU 5.518 0.659 20 1 "[ . 1 . +]"
1 32 SER 2.196 0.473 11 0 "[ . 1 . 2]"
1 33 ILE 4.380 0.092 1 0 "[ . 1 . 2]"
1 34 ASN 3.247 0.421 5 0 "[ . 1 . 2]"
1 35 GLN 10.019 0.421 5 0 "[ . 1 . 2]"
1 36 LEU 4.116 0.124 18 0 "[ . 1 . 2]"
1 37 VAL 1.451 0.114 14 0 "[ . 1 . 2]"
1 38 TYR 0.138 0.085 11 0 "[ . 1 . 2]"
1 39 MET 4.786 0.124 18 0 "[ . 1 . 2]"
1 40 GLY 0.729 0.116 11 0 "[ . 1 . 2]"
1 41 PHE 2.249 0.108 18 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 1.490 0.114 14 0 "[ . 1 . 2]"
1 44 VAL 1.617 0.477 14 0 "[ . 1 . 2]"
1 45 VAL 1.675 0.764 13 1 "[ . 1 + . 2]"
1 46 ALA 4.268 0.185 10 0 "[ . 1 . 2]"
1 47 GLU 2.131 0.091 2 0 "[ . 1 . 2]"
1 48 ALA 4.563 0.480 17 0 "[ . 1 . 2]"
1 49 ALA 4.721 0.185 10 0 "[ . 1 . 2]"
1 50 LEU 2.220 0.065 18 0 "[ . 1 . 2]"
1 51 ARG 11.473 0.844 20 5 "[ .** - * . +]"
1 52 VAL 5.873 0.844 20 5 "[ .** - * . +]"
1 53 PHE 2.387 0.934 13 1 "[ . 1 + . 2]"
1 54 GLY 0.114 0.019 11 0 "[ . 1 . 2]"
1 55 GLY 0.164 0.041 13 0 "[ . 1 . 2]"
1 56 ASN 5.210 0.659 19 3 "[ * .- 1 . +2]"
1 57 VAL 0.445 0.055 19 0 "[ . 1 . 2]"
1 58 GLN 1.251 0.104 11 0 "[ . 1 . 2]"
1 59 LEU 5.341 0.659 19 3 "[ * .- 1 . +2]"
1 60 ALA 0.439 0.199 8 0 "[ . 1 . 2]"
1 61 ALA 0.711 0.140 15 0 "[ . 1 . 2]"
1 62 GLN 1.516 0.327 15 0 "[ . 1 . 2]"
1 63 THR 1.013 0.509 13 1 "[ . 1 + . 2]"
1 64 LEU 0.777 0.084 11 0 "[ . 1 . 2]"
1 65 ALA 0.182 0.072 18 0 "[ . 1 . 2]"
1 66 HIS 0.047 0.031 5 0 "[ . 1 . 2]"
1 67 HIS 1.751 0.462 16 0 "[ . 1 . 2]"
1 68 GLY 0.068 0.062 15 0 "[ . 1 . 2]"
1 69 GLY 0.002 0.002 17 0 "[ . 1 . 2]"
1 70 SER 3.752 0.608 17 3 "[ . * 1 . +- 2]"
1 71 LEU 7.174 0.934 13 4 "[ . * 1 + . ** 2]"
1 72 PRO 3.717 0.879 13 1 "[ . 1 + . 2]"
1 73 PRO 0.268 0.134 7 0 "[ . 1 . 2]"
1 74 ASP 5.784 0.488 4 0 "[ . 1 . 2]"
1 75 LEU 10.549 0.902 9 4 "[ * +1* - 2]"
1 76 GLN 9.544 0.902 9 5 "[ * - +1* * 2]"
1 77 PHE 4.061 0.436 20 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ASN HA 1 9 PRO HD2 . . 3.760 2.410 2.239 2.860 . 0 0 "[ . 1 . 2]" 1
2 1 8 ASN HA 1 9 PRO HD3 . . 3.670 2.082 1.971 2.267 . 0 0 "[ . 1 . 2]" 1
3 1 9 PRO HB2 1 11 MET H . . 4.760 2.854 2.665 3.000 . 0 0 "[ . 1 . 2]" 1
4 1 9 PRO HB2 1 11 MET HA . . 3.760 3.768 3.663 3.838 0.078 15 0 "[ . 1 . 2]" 1
5 1 9 PRO HB2 1 11 MET HG2 . . 2.770 2.734 2.520 2.788 0.018 17 0 "[ . 1 . 2]" 1
6 1 9 PRO HB2 1 11 MET HG3 . . 2.780 2.718 2.429 2.800 0.020 17 0 "[ . 1 . 2]" 1
7 1 10 HIS H 1 10 HIS HB2 . . 3.950 2.847 2.000 3.815 . 0 0 "[ . 1 . 2]" 1
8 1 10 HIS HB2 1 11 MET H . . 4.950 3.933 2.579 4.670 . 0 0 "[ . 1 . 2]" 1
9 1 11 MET H 1 11 MET HG2 . . 4.350 2.962 2.768 3.261 . 0 0 "[ . 1 . 2]" 1
10 1 11 MET H 1 11 MET HG3 . . 5.030 2.557 1.962 3.327 . 0 0 "[ . 1 . 2]" 1
11 1 11 MET H 1 12 TRP H . . 5.170 4.108 3.065 4.674 . 0 0 "[ . 1 . 2]" 1
12 1 11 MET HA 1 11 MET HG2 . . 3.760 2.336 2.217 2.570 . 0 0 "[ . 1 . 2]" 1
13 1 11 MET HA 1 11 MET HG3 . . 3.590 3.249 3.181 3.373 . 0 0 "[ . 1 . 2]" 1
14 1 11 MET HA 1 12 TRP H . . 3.590 2.613 2.216 3.645 0.055 13 0 "[ . 1 . 2]" 1
15 1 12 TRP H 1 12 TRP HB2 . . 3.670 3.067 2.302 3.773 0.103 9 0 "[ . 1 . 2]" 1
16 1 12 TRP H 1 12 TRP HB3 . . 3.760 3.531 2.457 3.978 0.218 13 0 "[ . 1 . 2]" 1
17 1 12 TRP H 1 12 TRP HD1 . . 3.950 3.144 1.951 3.954 0.004 8 0 "[ . 1 . 2]" 1
18 1 12 TRP H 1 13 TRP H . . 4.190 3.557 2.026 4.307 0.117 9 0 "[ . 1 . 2]" 1
19 1 13 TRP H 1 13 TRP HB3 . . 4.170 3.163 2.078 3.875 . 0 0 "[ . 1 . 2]" 1
20 1 13 TRP H 1 13 TRP HE3 . . 4.080 3.714 2.204 4.116 0.036 14 0 "[ . 1 . 2]" 1
21 1 13 TRP H 1 14 LEU H . . 3.980 3.237 2.082 4.090 0.110 14 0 "[ . 1 . 2]" 1
22 1 13 TRP HB2 1 14 LEU H . . 4.820 3.854 3.153 4.623 . 0 0 "[ . 1 . 2]" 1
23 1 13 TRP HB3 1 14 LEU H . . 4.950 3.263 1.914 4.673 . 0 0 "[ . 1 . 2]" 1
24 1 13 TRP HD1 1 14 LEU QD . . 4.220 2.938 1.869 4.093 . 0 0 "[ . 1 . 2]" 1
25 1 13 TRP HE1 1 14 LEU HG . . 5.080 4.623 2.734 5.116 0.036 18 0 "[ . 1 . 2]" 1
26 1 14 LEU H 1 14 LEU HB2 . . 3.610 2.980 2.013 3.944 0.334 5 0 "[ . 1 . 2]" 1
27 1 14 LEU H 1 14 LEU HB3 . . 3.880 3.695 3.052 4.025 0.145 19 0 "[ . 1 . 2]" 1
28 1 14 LEU H 1 14 LEU QD . . 4.630 2.991 1.724 3.941 . 0 0 "[ . 1 . 2]" 1
29 1 14 LEU H 1 14 LEU HG . . 4.020 3.402 2.452 4.160 0.140 2 0 "[ . 1 . 2]" 1
30 1 14 LEU H 1 15 GLN H . . 4.110 3.732 1.885 4.316 0.206 11 0 "[ . 1 . 2]" 1
31 1 14 LEU HA 1 14 LEU QD . . 2.830 2.439 1.970 3.168 0.338 9 0 "[ . 1 . 2]" 1
32 1 14 LEU HA 1 14 LEU HG . . 4.220 2.913 2.135 4.215 . 0 0 "[ . 1 . 2]" 1
33 1 14 LEU HA 1 15 GLN H . . 3.250 2.643 2.178 3.562 0.312 18 0 "[ . 1 . 2]" 1
34 1 14 LEU HB2 1 15 GLN H . . 4.470 3.846 1.758 4.705 0.235 3 0 "[ . 1 . 2]" 1
35 1 14 LEU HB3 1 14 LEU QD . . 2.620 2.146 1.954 2.547 . 0 0 "[ . 1 . 2]" 1
36 1 14 LEU HB3 1 15 GLN H . . 4.760 3.492 1.899 4.578 . 0 0 "[ . 1 . 2]" 1
37 1 14 LEU QD 1 15 GLN H . . 4.880 3.470 1.887 4.408 . 0 0 "[ . 1 . 2]" 1
38 1 15 GLN H 1 15 GLN HB2 . . 4.170 3.141 2.040 4.014 . 0 0 "[ . 1 . 2]" 1
39 1 15 GLN H 1 15 GLN HB3 . . 3.780 3.337 2.359 4.088 0.308 7 0 "[ . 1 . 2]" 1
40 1 15 GLN H 1 15 GLN HG3 . . 4.140 3.426 2.013 4.604 0.464 3 0 "[ . 1 . 2]" 1
41 1 15 GLN HA 1 15 GLN HG2 . . 3.880 3.142 2.081 4.140 0.260 10 0 "[ . 1 . 2]" 1
42 1 15 GLN HA 1 16 ASP H . . 3.420 2.584 2.205 3.516 0.096 6 0 "[ . 1 . 2]" 1
43 1 15 GLN HB2 1 16 ASP H . . 4.020 3.909 1.980 4.688 0.668 11 4 "[ . ** 1+ . -]" 1
44 1 15 GLN HB3 1 16 ASP H . . 4.700 3.574 2.433 4.513 . 0 0 "[ . 1 . 2]" 1
45 1 15 GLN HG2 1 16 ASP H . . 4.880 4.334 2.682 5.595 0.715 10 2 "[ . + .- 2]" 1
46 1 16 ASP H 1 16 ASP HB2 . . 4.020 3.068 2.117 4.023 0.003 18 0 "[ . 1 . 2]" 1
47 1 16 ASP H 1 16 ASP HB3 . . 4.020 3.311 2.398 4.001 . 0 0 "[ . 1 . 2]" 1
48 1 16 ASP HA 1 17 ALA H . . 3.520 2.501 2.263 3.578 0.058 6 0 "[ . 1 . 2]" 1
49 1 16 ASP HB2 1 17 ALA H . . 4.650 3.991 2.627 4.652 0.002 3 0 "[ . 1 . 2]" 1
50 1 16 ASP HB3 1 17 ALA H . . 4.820 3.577 2.348 4.558 . 0 0 "[ . 1 . 2]" 1
51 1 17 ALA H 1 17 ALA MB . . 3.520 2.494 2.112 2.848 . 0 0 "[ . 1 . 2]" 1
52 1 17 ALA H 1 18 ASP H . . 3.870 2.777 2.067 3.847 . 0 0 "[ . 1 . 2]" 1
53 1 17 ALA MB 1 18 ASP H . . 4.380 2.869 2.111 3.791 . 0 0 "[ . 1 . 2]" 1
54 1 18 ASP H 1 18 ASP HB2 . . 3.760 3.205 2.081 3.980 0.220 3 0 "[ . 1 . 2]" 1
55 1 18 ASP H 1 18 ASP HB3 . . 3.960 3.560 2.418 3.962 0.002 11 0 "[ . 1 . 2]" 1
56 1 18 ASP H 1 19 PRO HD3 . . 4.220 3.757 2.726 4.806 0.586 17 1 "[ . 1 . + 2]" 1
57 1 18 ASP HB3 1 20 GLU H . . 5.030 4.171 2.563 5.266 0.236 20 0 "[ . 1 . 2]" 1
58 1 19 PRO HB2 1 20 GLU H . . 4.110 3.096 2.707 4.001 . 0 0 "[ . 1 . 2]" 1
59 1 19 PRO HD2 1 20 GLU H . . 4.190 2.355 2.254 2.675 . 0 0 "[ . 1 . 2]" 1
60 1 19 PRO HG2 1 20 GLU H . . 4.220 2.660 2.332 3.817 . 0 0 "[ . 1 . 2]" 1
61 1 20 GLU H 1 20 GLU HB2 . . 3.870 2.927 2.081 3.724 . 0 0 "[ . 1 . 2]" 1
62 1 20 GLU H 1 20 GLU HB3 . . 3.880 3.432 2.802 3.810 . 0 0 "[ . 1 . 2]" 1
63 1 20 GLU H 1 21 ASN H . . 3.900 3.219 1.905 3.897 . 0 0 "[ . 1 . 2]" 1
64 1 20 GLU HA 1 20 GLU HG2 . . 3.670 2.785 2.003 3.712 0.042 9 0 "[ . 1 . 2]" 1
65 1 20 GLU HA 1 20 GLU HG3 . . 3.760 2.793 2.044 3.765 0.005 8 0 "[ . 1 . 2]" 1
66 1 20 GLU HB2 1 21 ASN H . . 4.850 4.155 2.521 4.746 . 0 0 "[ . 1 . 2]" 1
67 1 20 GLU HB3 1 21 ASN H . . 4.760 3.791 2.010 4.528 . 0 0 "[ . 1 . 2]" 1
68 1 21 ASN H 1 21 ASN HB2 . . 3.990 3.169 2.291 3.989 . 0 0 "[ . 1 . 2]" 1
69 1 21 ASN H 1 21 ASN HB3 . . 3.860 3.295 2.491 3.861 0.001 12 0 "[ . 1 . 2]" 1
70 1 21 ASN H 1 22 ASN H . . 4.290 3.516 2.106 4.289 . 0 0 "[ . 1 . 2]" 1
71 1 22 ASN H 1 22 ASN HB2 . . 3.810 2.849 2.072 3.714 . 0 0 "[ . 1 . 2]" 1
72 1 22 ASN H 1 22 ASN HB3 . . 3.870 3.271 2.415 3.834 . 0 0 "[ . 1 . 2]" 1
73 1 22 ASN HB2 1 23 SER H . . 4.680 3.970 2.702 4.721 0.041 10 0 "[ . 1 . 2]" 1
74 1 22 ASN HB3 1 23 SER H . . 4.920 3.487 2.311 4.589 . 0 0 "[ . 1 . 2]" 1
75 1 23 SER H 1 23 SER HB2 . . 3.900 2.961 2.167 4.042 0.142 11 0 "[ . 1 . 2]" 1
76 1 23 SER HA 1 24 ARG H . . 3.590 2.581 2.216 3.648 0.058 3 0 "[ . 1 . 2]" 1
77 1 23 SER HB3 1 24 ARG H . . 4.730 3.402 2.173 4.435 . 0 0 "[ . 1 . 2]" 1
78 1 24 ARG H 1 24 ARG HB2 . . 3.820 2.815 2.117 3.808 . 0 0 "[ . 1 . 2]" 1
79 1 24 ARG H 1 24 ARG HG2 . . 4.140 3.536 1.961 4.718 0.578 16 2 "[ . 1 - .+ 2]" 1
80 1 24 ARG HA 1 24 ARG HG2 . . 3.670 2.871 2.019 4.018 0.348 10 0 "[ . 1 . 2]" 1
81 1 24 ARG HA 1 25 GLN H . . 3.330 2.355 2.226 2.660 . 0 0 "[ . 1 . 2]" 1
82 1 24 ARG HB2 1 24 ARG HD3 . . 3.880 2.992 2.014 4.264 0.384 1 0 "[ . 1 . 2]" 1
83 1 24 ARG HB2 1 24 ARG HG3 . . 2.710 2.549 2.265 3.038 0.328 12 0 "[ . 1 . 2]" 1
84 1 24 ARG HB3 1 24 ARG HD3 . . 3.130 2.868 2.024 3.714 0.584 12 1 "[ . 1 + . 2]" 1
85 1 24 ARG HG2 1 25 GLN H . . 5.340 4.399 3.038 5.689 0.349 12 0 "[ . 1 . 2]" 1
86 1 25 GLN H 1 25 GLN HB3 . . 3.730 3.284 2.388 4.092 0.362 17 0 "[ . 1 . 2]" 1
87 1 25 GLN H 1 25 GLN HG3 . . 4.230 3.792 2.624 4.716 0.486 10 0 "[ . 1 . 2]" 1
88 1 25 GLN HA 1 25 GLN HG3 . . 3.760 3.257 2.120 3.995 0.235 1 0 "[ . 1 . 2]" 1
89 1 25 GLN HA 1 26 ALA H . . 3.160 2.323 2.202 2.643 . 0 0 "[ . 1 . 2]" 1
90 1 25 GLN HA 1 26 ALA MB . . 4.020 3.909 3.691 4.034 0.014 20 0 "[ . 1 . 2]" 1
91 1 25 GLN HB2 1 26 ALA H . . 4.540 4.100 2.581 4.737 0.197 11 0 "[ . 1 . 2]" 1
92 1 25 GLN HB3 1 26 ALA H . . 4.730 3.693 2.262 4.634 . 0 0 "[ . 1 . 2]" 1
93 1 25 GLN HG2 1 26 ALA H . . 5.280 4.352 3.637 5.111 . 0 0 "[ . 1 . 2]" 1
94 1 26 ALA H 1 26 ALA MB . . 3.390 2.617 2.007 2.953 . 0 0 "[ . 1 . 2]" 1
95 1 26 ALA HA 1 27 SER H . . 3.190 2.462 2.186 2.685 . 0 0 "[ . 1 . 2]" 1
96 1 26 ALA MB 1 27 SER H . . 3.990 3.097 2.286 3.789 . 0 0 "[ . 1 . 2]" 1
97 1 27 SER H 1 27 SER HB2 . . 4.030 3.183 2.019 4.032 0.002 15 0 "[ . 1 . 2]" 1
98 1 27 SER H 1 27 SER HB3 . . 3.690 3.295 2.106 4.028 0.338 7 0 "[ . 1 . 2]" 1
99 1 27 SER HA 1 28 PRO HD2 . . 3.230 2.607 2.208 2.915 . 0 0 "[ . 1 . 2]" 1
100 1 27 SER HA 1 28 PRO HD3 . . 3.880 2.088 1.940 2.402 . 0 0 "[ . 1 . 2]" 1
101 1 28 PRO HA 1 29 SER H . . 3.050 2.441 2.217 2.755 . 0 0 "[ . 1 . 2]" 1
102 1 28 PRO HB2 1 29 SER H . . 4.250 2.714 2.001 3.354 . 0 0 "[ . 1 . 2]" 1
103 1 28 PRO HB2 1 32 SER QB . . 4.020 3.204 2.952 3.888 . 0 0 "[ . 1 . 2]" 1
104 1 28 PRO HB2 1 33 ILE MD . . 3.450 2.353 2.066 2.826 . 0 0 "[ . 1 . 2]" 1
105 1 28 PRO HB3 1 29 SER H . . 4.350 3.410 3.115 3.767 . 0 0 "[ . 1 . 2]" 1
106 1 28 PRO HB3 1 32 SER QB . . 4.020 3.611 3.414 3.851 . 0 0 "[ . 1 . 2]" 1
107 1 28 PRO HB3 1 50 LEU H . . 4.880 4.879 4.812 4.933 0.053 19 0 "[ . 1 . 2]" 1
108 1 28 PRO HB3 1 50 LEU HB2 . . 4.220 2.643 2.548 2.735 . 0 0 "[ . 1 . 2]" 1
109 1 28 PRO HB3 1 50 LEU HB3 . . 4.020 2.028 1.972 2.155 . 0 0 "[ . 1 . 2]" 1
110 1 28 PRO HB3 1 50 LEU MD1 . . 3.590 2.163 1.979 2.537 . 0 0 "[ . 1 . 2]" 1
111 1 28 PRO HB3 1 50 LEU MD2 . . 4.220 2.702 2.378 3.067 . 0 0 "[ . 1 . 2]" 1
112 1 28 PRO HG2 1 50 LEU HB3 . . 4.220 4.164 3.889 4.252 0.032 19 0 "[ . 1 . 2]" 1
113 1 28 PRO HG3 1 33 ILE MD . . 3.760 3.542 3.316 3.760 0.000 4 0 "[ . 1 . 2]" 1
114 1 28 PRO HG3 1 50 LEU H . . 4.540 4.334 4.022 4.538 . 0 0 "[ . 1 . 2]" 1
115 1 28 PRO HG3 1 50 LEU HB2 . . 4.220 2.276 1.998 2.520 . 0 0 "[ . 1 . 2]" 1
116 1 28 PRO HG3 1 50 LEU HB3 . . 4.020 2.757 2.360 3.090 . 0 0 "[ . 1 . 2]" 1
117 1 28 PRO HG3 1 50 LEU MD1 . . 3.880 3.017 2.561 3.496 . 0 0 "[ . 1 . 2]" 1
118 1 29 SER H 1 29 SER HB2 . . 3.670 2.593 2.040 3.667 . 0 0 "[ . 1 . 2]" 1
119 1 29 SER H 1 29 SER HB3 . . 3.670 3.292 2.514 3.672 0.002 6 0 "[ . 1 . 2]" 1
120 1 29 SER H 1 32 SER H . . 5.340 3.798 3.411 4.247 . 0 0 "[ . 1 . 2]" 1
121 1 29 SER H 1 50 LEU MD1 . . 5.120 3.662 3.220 4.190 . 0 0 "[ . 1 . 2]" 1
122 1 29 SER HA 1 30 GLN H . . 3.350 2.366 2.283 2.608 . 0 0 "[ . 1 . 2]" 1
123 1 29 SER HB2 1 30 GLN H . . 4.240 3.945 2.785 4.387 0.147 20 0 "[ . 1 . 2]" 1
124 1 29 SER HB2 1 31 GLU H . . 4.180 3.990 2.347 4.839 0.659 20 1 "[ . 1 . +]" 1
125 1 29 SER HB3 1 30 GLN H . . 4.990 3.226 2.603 4.314 . 0 0 "[ . 1 . 2]" 1
126 1 29 SER HB3 1 32 SER H . . 4.220 3.383 2.361 4.693 0.473 11 0 "[ . 1 . 2]" 1
127 1 30 GLN H 1 30 GLN HB2 . . 3.650 2.048 2.020 2.098 . 0 0 "[ . 1 . 2]" 1
128 1 30 GLN H 1 30 GLN HB3 . . 3.790 3.240 3.180 3.386 . 0 0 "[ . 1 . 2]" 1
129 1 30 GLN H 1 30 GLN HG2 . . 4.310 4.192 3.289 4.412 0.102 20 0 "[ . 1 . 2]" 1
130 1 30 GLN H 1 31 GLU H . . 3.900 3.020 2.769 3.244 . 0 0 "[ . 1 . 2]" 1
131 1 30 GLN HA 1 30 GLN HG3 . . 3.670 2.665 2.494 3.426 . 0 0 "[ . 1 . 2]" 1
132 1 30 GLN HA 1 33 ILE H . . 4.020 3.591 3.225 4.007 . 0 0 "[ . 1 . 2]" 1
133 1 30 GLN HA 1 33 ILE HB . . 3.350 2.642 2.564 2.805 . 0 0 "[ . 1 . 2]" 1
134 1 30 GLN HA 1 33 ILE MD . . 3.270 2.605 2.132 3.095 . 0 0 "[ . 1 . 2]" 1
135 1 30 GLN HA 1 33 ILE MG . . 3.880 3.776 3.497 3.909 0.029 13 0 "[ . 1 . 2]" 1
136 1 30 GLN HA 1 34 ASN H . . 4.580 3.876 3.645 4.004 . 0 0 "[ . 1 . 2]" 1
137 1 30 GLN HB2 1 31 GLU H . . 4.220 3.222 2.895 3.406 . 0 0 "[ . 1 . 2]" 1
138 1 30 GLN HB3 1 31 GLU H . . 3.190 2.721 2.284 3.184 . 0 0 "[ . 1 . 2]" 1
139 1 30 GLN HE21 1 30 GLN HG3 . . 3.450 2.266 2.103 3.445 . 0 0 "[ . 1 . 2]" 1
140 1 30 GLN HE21 1 33 ILE MG . . 4.220 3.162 2.923 3.576 . 0 0 "[ . 1 . 2]" 1
141 1 30 GLN HE22 1 33 ILE MG . . 4.020 3.769 3.458 4.026 0.006 20 0 "[ . 1 . 2]" 1
142 1 30 GLN HG3 1 34 ASN HD21 . . 4.430 3.816 2.857 4.835 0.405 8 0 "[ . 1 . 2]" 1
143 1 30 GLN HG3 1 34 ASN HD22 . . 4.200 2.814 2.274 4.391 0.191 2 0 "[ . 1 . 2]" 1
144 1 31 GLU H 1 31 GLU HB2 . . 3.670 2.304 2.023 3.551 . 0 0 "[ . 1 . 2]" 1
145 1 31 GLU H 1 31 GLU HB3 . . 3.590 3.139 2.574 3.565 . 0 0 "[ . 1 . 2]" 1
146 1 31 GLU H 1 31 GLU HG2 . . 4.520 3.929 1.941 4.638 0.118 2 0 "[ . 1 . 2]" 1
147 1 31 GLU H 1 32 SER H . . 3.660 3.048 2.743 3.254 . 0 0 "[ . 1 . 2]" 1
148 1 31 GLU HA 1 31 GLU HB2 . . 3.050 2.815 2.531 3.048 . 0 0 "[ . 1 . 2]" 1
149 1 31 GLU HA 1 31 GLU HB3 . . 3.030 2.821 2.396 3.050 0.020 6 0 "[ . 1 . 2]" 1
150 1 31 GLU HA 1 31 GLU HG2 . . 4.020 2.956 2.230 3.708 . 0 0 "[ . 1 . 2]" 1
151 1 31 GLU HA 1 31 GLU HG3 . . 3.880 2.669 1.999 3.975 0.095 1 0 "[ . 1 . 2]" 1
152 1 31 GLU HA 1 34 ASN H . . 4.020 3.116 2.911 3.437 . 0 0 "[ . 1 . 2]" 1
153 1 31 GLU HA 1 34 ASN HB2 . . 3.450 2.150 1.998 2.458 . 0 0 "[ . 1 . 2]" 1
154 1 31 GLU HA 1 34 ASN HB3 . . 4.220 3.722 3.419 4.080 . 0 0 "[ . 1 . 2]" 1
155 1 31 GLU HA 1 34 ASN HD21 . . 4.020 2.493 2.078 2.991 . 0 0 "[ . 1 . 2]" 1
156 1 31 GLU HA 1 34 ASN HD22 . . 4.880 4.004 3.375 4.505 . 0 0 "[ . 1 . 2]" 1
157 1 31 GLU HA 1 35 GLN H . . 3.450 3.513 3.493 3.573 0.123 5 0 "[ . 1 . 2]" 1
158 1 31 GLU HB2 1 32 SER H . . 3.730 2.936 2.183 3.682 . 0 0 "[ . 1 . 2]" 1
159 1 31 GLU HB3 1 32 SER H . . 3.880 2.584 1.979 3.863 . 0 0 "[ . 1 . 2]" 1
160 1 31 GLU HG2 1 32 SER H . . 4.730 4.295 1.944 5.182 0.452 12 0 "[ . 1 . 2]" 1
161 1 32 SER H 1 32 SER QB . . 3.520 2.482 2.231 2.727 . 0 0 "[ . 1 . 2]" 1
162 1 32 SER HA 1 35 GLN H . . 3.880 3.604 3.468 3.700 . 0 0 "[ . 1 . 2]" 1
163 1 32 SER HA 1 35 GLN HB2 . . 3.760 2.680 2.333 2.866 . 0 0 "[ . 1 . 2]" 1
164 1 32 SER HA 1 35 GLN HB3 . . 4.630 4.267 3.898 4.458 . 0 0 "[ . 1 . 2]" 1
165 1 32 SER HA 1 35 GLN HE21 . . 5.410 5.261 2.229 5.435 0.025 1 0 "[ . 1 . 2]" 1
166 1 32 SER HA 1 35 GLN HG2 . . 4.520 3.676 3.406 4.520 0.000 14 0 "[ . 1 . 2]" 1
167 1 32 SER HA 1 35 GLN HG3 . . 4.520 3.812 3.107 4.684 0.164 5 0 "[ . 1 . 2]" 1
168 1 32 SER HA 1 57 VAL MG2 . . 3.670 2.229 2.066 2.431 . 0 0 "[ . 1 . 2]" 1
169 1 32 SER QB 1 33 ILE H . . 3.760 2.766 2.497 3.262 . 0 0 "[ . 1 . 2]" 1
170 1 32 SER QB 1 50 LEU MD1 . . 3.450 2.052 1.922 2.487 . 0 0 "[ . 1 . 2]" 1
171 1 32 SER QB 1 50 LEU MD2 . . 3.760 1.975 1.875 2.101 . 0 0 "[ . 1 . 2]" 1
172 1 32 SER QB 1 57 VAL MG2 . . 3.520 1.942 1.703 2.343 . 0 0 "[ . 1 . 2]" 1
173 1 33 ILE H 1 33 ILE HB . . 3.270 2.249 2.185 2.336 . 0 0 "[ . 1 . 2]" 1
174 1 33 ILE H 1 33 ILE MD . . 3.710 3.308 3.162 3.461 . 0 0 "[ . 1 . 2]" 1
175 1 33 ILE H 1 33 ILE HG12 . . 3.880 3.912 3.829 3.947 0.067 1 0 "[ . 1 . 2]" 1
176 1 33 ILE H 1 33 ILE HG13 . . 3.350 2.585 2.469 2.634 . 0 0 "[ . 1 . 2]" 1
177 1 33 ILE H 1 33 ILE MG . . 3.880 3.654 3.620 3.702 . 0 0 "[ . 1 . 2]" 1
178 1 33 ILE H 1 34 ASN H . . 3.400 2.501 2.310 2.840 . 0 0 "[ . 1 . 2]" 1
179 1 33 ILE H 1 50 LEU MD1 . . 4.020 3.309 2.856 3.527 . 0 0 "[ . 1 . 2]" 1
180 1 33 ILE HA 1 33 ILE MD . . 3.760 3.811 3.762 3.848 0.088 20 0 "[ . 1 . 2]" 1
181 1 33 ILE HA 1 33 ILE HG12 . . 3.450 2.677 2.609 2.750 . 0 0 "[ . 1 . 2]" 1
182 1 33 ILE HA 1 33 ILE HG13 . . 3.590 2.574 2.463 2.650 . 0 0 "[ . 1 . 2]" 1
183 1 33 ILE HA 1 33 ILE MG . . 3.160 2.581 2.533 2.670 . 0 0 "[ . 1 . 2]" 1
184 1 33 ILE HA 1 36 LEU H . . 4.450 3.290 3.170 3.463 . 0 0 "[ . 1 . 2]" 1
185 1 33 ILE HA 1 36 LEU HB2 . . 4.020 2.487 2.429 2.546 . 0 0 "[ . 1 . 2]" 1
186 1 33 ILE HA 1 36 LEU HB3 . . 4.020 4.059 4.040 4.082 0.062 16 0 "[ . 1 . 2]" 1
187 1 33 ILE HA 1 46 ALA MB . . 3.670 2.162 1.968 2.293 . 0 0 "[ . 1 . 2]" 1
188 1 33 ILE HA 1 50 LEU MD1 . . 3.160 2.503 2.344 2.636 . 0 0 "[ . 1 . 2]" 1
189 1 33 ILE HB 1 33 ILE MD . . 2.970 2.114 2.025 2.262 . 0 0 "[ . 1 . 2]" 1
190 1 33 ILE HB 1 34 ASN H . . 3.350 2.710 2.640 2.775 . 0 0 "[ . 1 . 2]" 1
191 1 33 ILE MD 1 34 ASN H . . 4.730 4.413 4.310 4.516 . 0 0 "[ . 1 . 2]" 1
192 1 33 ILE MD 1 43 THR MG . . 4.220 3.551 3.374 3.680 . 0 0 "[ . 1 . 2]" 1
193 1 33 ILE MD 1 46 ALA MB . . 4.020 4.016 3.936 4.048 0.028 3 0 "[ . 1 . 2]" 1
194 1 33 ILE MD 1 47 GLU H . . 4.220 3.894 3.686 4.048 . 0 0 "[ . 1 . 2]" 1
195 1 33 ILE MD 1 47 GLU HA . . 3.310 2.646 2.323 2.851 . 0 0 "[ . 1 . 2]" 1
196 1 33 ILE MD 1 47 GLU HB3 . . 3.590 2.600 2.181 2.943 . 0 0 "[ . 1 . 2]" 1
197 1 33 ILE MD 1 47 GLU HG2 . . 4.020 2.106 1.967 2.305 . 0 0 "[ . 1 . 2]" 1
198 1 33 ILE MD 1 47 GLU HG3 . . 3.520 3.386 3.169 3.575 0.055 5 0 "[ . 1 . 2]" 1
199 1 33 ILE HG12 1 33 ILE MG . . 3.130 2.259 2.180 2.304 . 0 0 "[ . 1 . 2]" 1
200 1 33 ILE HG12 1 46 ALA MB . . 4.520 2.765 2.628 2.858 . 0 0 "[ . 1 . 2]" 1
201 1 33 ILE HG12 1 47 GLU HA . . 3.670 2.116 1.992 2.310 . 0 0 "[ . 1 . 2]" 1
202 1 33 ILE HG12 1 47 GLU HB3 . . 4.520 3.657 3.536 3.916 . 0 0 "[ . 1 . 2]" 1
203 1 33 ILE HG12 1 47 GLU HG2 . . 4.020 2.043 1.987 2.221 . 0 0 "[ . 1 . 2]" 1
204 1 33 ILE HG13 1 33 ILE MG . . 3.350 3.201 3.183 3.218 . 0 0 "[ . 1 . 2]" 1
205 1 33 ILE HG13 1 34 ASN H . . 4.850 4.549 4.432 4.708 . 0 0 "[ . 1 . 2]" 1
206 1 33 ILE HG13 1 46 ALA MB . . 3.760 3.710 3.506 3.778 0.018 17 0 "[ . 1 . 2]" 1
207 1 33 ILE HG13 1 47 GLU HA . . 4.020 3.265 2.884 3.523 . 0 0 "[ . 1 . 2]" 1
208 1 33 ILE MG 1 34 ASN H . . 3.590 3.169 2.878 3.418 . 0 0 "[ . 1 . 2]" 1
209 1 33 ILE MG 1 34 ASN HA . . 3.760 3.149 2.945 3.379 . 0 0 "[ . 1 . 2]" 1
210 1 33 ILE MG 1 35 GLN H . . 4.820 4.873 4.847 4.912 0.092 1 0 "[ . 1 . 2]" 1
211 1 33 ILE MG 1 43 THR HA . . 3.520 2.622 2.542 2.687 . 0 0 "[ . 1 . 2]" 1
212 1 33 ILE MG 1 43 THR HB . . 4.220 4.231 4.192 4.255 0.035 5 0 "[ . 1 . 2]" 1
213 1 33 ILE MG 1 43 THR MG . . 3.230 1.996 1.898 2.121 . 0 0 "[ . 1 . 2]" 1
214 1 33 ILE MG 1 46 ALA MB . . 3.030 2.042 1.896 2.218 . 0 0 "[ . 1 . 2]" 1
215 1 33 ILE MG 1 47 GLU H . . 4.220 2.885 2.449 3.200 . 0 0 "[ . 1 . 2]" 1
216 1 33 ILE MG 1 47 GLU HA . . 4.220 3.669 3.442 3.801 . 0 0 "[ . 1 . 2]" 1
217 1 33 ILE MG 1 47 GLU HB3 . . 4.220 4.220 4.114 4.237 0.017 3 0 "[ . 1 . 2]" 1
218 1 33 ILE MG 1 47 GLU HG2 . . 3.400 1.991 1.861 2.106 . 0 0 "[ . 1 . 2]" 1
219 1 33 ILE MG 1 47 GLU HG3 . . 4.220 2.879 2.530 3.143 . 0 0 "[ . 1 . 2]" 1
220 1 34 ASN H 1 34 ASN HB2 . . 3.400 2.293 2.095 2.675 . 0 0 "[ . 1 . 2]" 1
221 1 34 ASN H 1 34 ASN HB3 . . 3.760 3.497 3.402 3.551 . 0 0 "[ . 1 . 2]" 1
222 1 34 ASN H 1 35 GLN H . . 3.500 2.673 2.608 2.756 . 0 0 "[ . 1 . 2]" 1
223 1 34 ASN H 1 35 GLN HB2 . . 4.700 4.789 4.715 4.831 0.131 15 0 "[ . 1 . 2]" 1
224 1 34 ASN HA 1 34 ASN HD21 . . 4.820 4.241 3.423 4.542 . 0 0 "[ . 1 . 2]" 1
225 1 34 ASN HA 1 36 LEU H . . 4.610 4.005 3.824 4.256 . 0 0 "[ . 1 . 2]" 1
226 1 34 ASN HA 1 37 VAL H . . 3.970 3.464 3.362 3.601 . 0 0 "[ . 1 . 2]" 1
227 1 34 ASN HA 1 37 VAL HB . . 3.130 2.889 2.740 2.959 . 0 0 "[ . 1 . 2]" 1
228 1 34 ASN HA 1 37 VAL MG1 . . 4.220 4.191 4.024 4.243 0.023 18 0 "[ . 1 . 2]" 1
229 1 34 ASN HA 1 37 VAL MG2 . . 3.400 2.847 2.609 3.104 . 0 0 "[ . 1 . 2]" 1
230 1 34 ASN HB2 1 34 ASN HD21 . . 3.670 2.189 2.102 2.419 . 0 0 "[ . 1 . 2]" 1
231 1 34 ASN HB2 1 34 ASN HD22 . . 3.880 3.481 3.445 3.578 . 0 0 "[ . 1 . 2]" 1
232 1 34 ASN HB2 1 35 GLN H . . 3.880 2.672 2.462 2.829 . 0 0 "[ . 1 . 2]" 1
233 1 34 ASN HB2 1 35 GLN HE21 . . 5.340 3.242 2.305 5.761 0.421 5 0 "[ . 1 . 2]" 1
234 1 34 ASN HB3 1 35 GLN H . . 4.220 3.436 2.953 3.833 . 0 0 "[ . 1 . 2]" 1
235 1 35 GLN H 1 35 GLN HB2 . . 3.310 2.404 2.337 2.465 . 0 0 "[ . 1 . 2]" 1
236 1 35 GLN H 1 35 GLN HB3 . . 3.670 3.542 3.528 3.550 . 0 0 "[ . 1 . 2]" 1
237 1 35 GLN H 1 35 GLN HG2 . . 3.570 2.415 2.154 3.959 0.389 5 0 "[ . 1 . 2]" 1
238 1 35 GLN H 1 35 GLN HG3 . . 4.020 3.570 2.865 3.844 . 0 0 "[ . 1 . 2]" 1
239 1 35 GLN H 1 36 LEU H . . 3.590 2.629 2.529 2.769 . 0 0 "[ . 1 . 2]" 1
240 1 35 GLN H 1 37 VAL H . . 4.760 4.533 4.397 4.660 . 0 0 "[ . 1 . 2]" 1
241 1 35 GLN HA 1 35 GLN HG2 . . 3.760 3.050 2.367 3.239 . 0 0 "[ . 1 . 2]" 1
242 1 35 GLN HA 1 35 GLN HG3 . . 3.400 3.560 2.195 3.683 0.283 17 0 "[ . 1 . 2]" 1
243 1 35 GLN HA 1 38 TYR H . . 3.880 3.647 3.556 3.754 . 0 0 "[ . 1 . 2]" 1
244 1 35 GLN HA 1 38 TYR HB2 . . 3.520 2.756 2.647 2.987 . 0 0 "[ . 1 . 2]" 1
245 1 35 GLN HA 1 38 TYR QD . . 4.220 3.449 1.994 3.916 . 0 0 "[ . 1 . 2]" 1
246 1 35 GLN HB2 1 36 LEU H . . 3.780 3.032 2.850 3.201 . 0 0 "[ . 1 . 2]" 1
247 1 35 GLN HB2 1 36 LEU MD2 . . 4.220 4.225 4.129 4.245 0.025 10 0 "[ . 1 . 2]" 1
248 1 35 GLN HB2 1 57 VAL MG1 . . 3.520 3.204 2.790 3.466 . 0 0 "[ . 1 . 2]" 1
249 1 35 GLN HB2 1 57 VAL MG2 . . 3.670 3.322 3.120 3.500 . 0 0 "[ . 1 . 2]" 1
250 1 35 GLN HB3 1 36 LEU H . . 4.020 3.937 3.752 4.035 0.015 18 0 "[ . 1 . 2]" 1
251 1 35 GLN HB3 1 57 VAL MG1 . . 3.760 3.431 3.042 3.611 . 0 0 "[ . 1 . 2]" 1
252 1 35 GLN HB3 1 57 VAL MG2 . . 4.520 4.322 3.986 4.527 0.007 7 0 "[ . 1 . 2]" 1
253 1 35 GLN HG2 1 36 LEU H . . 5.500 4.602 4.424 5.492 . 0 0 "[ . 1 . 2]" 1
254 1 36 LEU H 1 36 LEU HB2 . . 3.160 2.150 2.124 2.184 . 0 0 "[ . 1 . 2]" 1
255 1 36 LEU H 1 36 LEU HB3 . . 3.520 3.448 3.429 3.470 . 0 0 "[ . 1 . 2]" 1
256 1 36 LEU H 1 36 LEU MD1 . . 4.520 4.001 3.949 4.037 . 0 0 "[ . 1 . 2]" 1
257 1 36 LEU H 1 36 LEU MD2 . . 3.850 3.597 3.470 3.659 . 0 0 "[ . 1 . 2]" 1
258 1 36 LEU H 1 36 LEU HG . . 3.510 2.959 2.811 3.035 . 0 0 "[ . 1 . 2]" 1
259 1 36 LEU H 1 37 VAL H . . 3.420 2.629 2.560 2.710 . 0 0 "[ . 1 . 2]" 1
260 1 36 LEU H 1 37 VAL MG2 . . 4.070 4.030 3.924 4.087 0.017 16 0 "[ . 1 . 2]" 1
261 1 36 LEU H 1 46 ALA MB . . 4.220 3.758 3.694 3.843 . 0 0 "[ . 1 . 2]" 1
262 1 36 LEU H 1 57 VAL MG1 . . 4.520 4.433 3.826 4.537 0.017 14 0 "[ . 1 . 2]" 1
263 1 36 LEU H 1 57 VAL MG2 . . 4.520 4.500 4.343 4.542 0.022 11 0 "[ . 1 . 2]" 1
264 1 36 LEU HA 1 36 LEU MD2 . . 3.160 1.885 1.865 1.912 . 0 0 "[ . 1 . 2]" 1
265 1 36 LEU HA 1 39 MET H . . 4.110 3.392 3.220 3.629 . 0 0 "[ . 1 . 2]" 1
266 1 36 LEU HA 1 39 MET HB2 . . 3.880 3.166 2.846 3.742 . 0 0 "[ . 1 . 2]" 1
267 1 36 LEU HA 1 39 MET ME . . 3.520 2.042 1.919 2.647 . 0 0 "[ . 1 . 2]" 1
268 1 36 LEU HB2 1 36 LEU MD1 . . 3.400 2.397 2.384 2.445 . 0 0 "[ . 1 . 2]" 1
269 1 36 LEU HB2 1 37 VAL H . . 3.110 2.604 2.529 2.679 . 0 0 "[ . 1 . 2]" 1
270 1 36 LEU HB2 1 46 ALA MB . . 3.100 2.110 2.035 2.163 . 0 0 "[ . 1 . 2]" 1
271 1 36 LEU HB3 1 36 LEU MD2 . . 3.270 2.510 2.485 2.531 . 0 0 "[ . 1 . 2]" 1
272 1 36 LEU HB3 1 37 VAL H . . 4.220 3.114 3.009 3.214 . 0 0 "[ . 1 . 2]" 1
273 1 36 LEU HB3 1 41 PHE HB2 . . 3.590 2.823 2.679 3.079 . 0 0 "[ . 1 . 2]" 1
274 1 36 LEU HB3 1 41 PHE QD . . 3.880 2.787 2.530 3.208 . 0 0 "[ . 1 . 2]" 1
275 1 36 LEU HB3 1 46 ALA HA . . 4.520 3.232 3.111 3.322 . 0 0 "[ . 1 . 2]" 1
276 1 36 LEU MD1 1 39 MET ME . . 3.520 3.605 3.568 3.644 0.124 18 0 "[ . 1 . 2]" 1
277 1 36 LEU MD1 1 46 ALA HA . . 3.350 1.998 1.935 2.097 . 0 0 "[ . 1 . 2]" 1
278 1 36 LEU MD1 1 46 ALA MB . . 2.860 2.103 1.904 2.272 . 0 0 "[ . 1 . 2]" 1
279 1 36 LEU MD1 1 50 LEU H . . 4.450 3.251 3.077 3.620 . 0 0 "[ . 1 . 2]" 1
280 1 36 LEU MD1 1 50 LEU MD2 . . 3.080 2.986 2.685 3.087 0.007 1 0 "[ . 1 . 2]" 1
281 1 36 LEU MD1 1 50 LEU HG . . 3.270 2.042 1.929 2.373 . 0 0 "[ . 1 . 2]" 1
282 1 36 LEU MD1 1 57 VAL HA . . 3.880 2.950 2.641 3.142 . 0 0 "[ . 1 . 2]" 1
283 1 36 LEU MD1 1 57 VAL MG2 . . 3.670 3.343 3.170 3.680 0.010 19 0 "[ . 1 . 2]" 1
284 1 36 LEU MD1 1 60 ALA MB . . 3.230 2.246 2.047 2.436 . 0 0 "[ . 1 . 2]" 1
285 1 36 LEU MD1 1 61 ALA H . . 4.520 3.891 3.629 4.128 . 0 0 "[ . 1 . 2]" 1
286 1 36 LEU MD1 1 61 ALA HA . . 4.520 4.358 3.897 4.535 0.015 1 0 "[ . 1 . 2]" 1
287 1 36 LEU MD1 1 64 LEU MD1 . . 3.520 2.283 1.906 2.752 . 0 0 "[ . 1 . 2]" 1
288 1 36 LEU MD2 1 39 MET H . . 4.990 4.415 4.291 4.657 . 0 0 "[ . 1 . 2]" 1
289 1 36 LEU MD2 1 39 MET ME . . 3.270 1.623 1.595 1.688 . 0 0 "[ . 1 . 2]" 1
290 1 36 LEU MD2 1 39 MET HG3 . . 4.520 4.037 3.885 4.566 0.046 11 0 "[ . 1 . 2]" 1
291 1 36 LEU MD2 1 41 PHE QD . . 3.590 2.489 2.195 3.133 . 0 0 "[ . 1 . 2]" 1
292 1 36 LEU MD2 1 41 PHE QE . . 3.880 3.125 2.836 3.802 . 0 0 "[ . 1 . 2]" 1
293 1 36 LEU MD2 1 46 ALA HA . . 4.220 4.269 4.250 4.289 0.069 14 0 "[ . 1 . 2]" 1
294 1 36 LEU MD2 1 57 VAL HA . . 4.220 2.986 2.753 3.236 . 0 0 "[ . 1 . 2]" 1
295 1 36 LEU MD2 1 60 ALA MB . . 3.270 2.685 2.227 3.000 . 0 0 "[ . 1 . 2]" 1
296 1 36 LEU MD2 1 61 ALA H . . 3.800 2.802 2.522 3.057 . 0 0 "[ . 1 . 2]" 1
297 1 36 LEU MD2 1 61 ALA HA . . 3.310 3.111 2.673 3.321 0.011 7 0 "[ . 1 . 2]" 1
298 1 36 LEU MD2 1 61 ALA MB . . 2.800 2.335 1.895 2.574 . 0 0 "[ . 1 . 2]" 1
299 1 36 LEU MD2 1 64 LEU MD1 . . 3.520 2.739 2.512 2.970 . 0 0 "[ . 1 . 2]" 1
300 1 36 LEU HG 1 37 VAL H . . 5.080 4.707 4.636 4.754 . 0 0 "[ . 1 . 2]" 1
301 1 36 LEU HG 1 46 ALA MB . . 3.880 3.641 3.483 3.784 . 0 0 "[ . 1 . 2]" 1
302 1 36 LEU HG 1 50 LEU MD1 . . 4.020 3.162 2.778 3.676 . 0 0 "[ . 1 . 2]" 1
303 1 36 LEU HG 1 57 VAL MG2 . . 4.220 2.963 2.774 3.122 . 0 0 "[ . 1 . 2]" 1
304 1 37 VAL H 1 37 VAL HB . . 3.030 2.464 2.437 2.531 . 0 0 "[ . 1 . 2]" 1
305 1 37 VAL H 1 37 VAL MG2 . . 3.050 2.016 1.912 2.197 . 0 0 "[ . 1 . 2]" 1
306 1 37 VAL H 1 46 ALA MB . . 4.070 3.041 2.921 3.226 . 0 0 "[ . 1 . 2]" 1
307 1 37 VAL HA 1 37 VAL MG2 . . 2.970 2.327 2.215 2.406 . 0 0 "[ . 1 . 2]" 1
308 1 37 VAL HA 1 40 GLY H . . 4.250 3.275 3.138 3.487 . 0 0 "[ . 1 . 2]" 1
309 1 37 VAL HA 1 41 PHE H . . 3.670 2.114 1.935 2.304 . 0 0 "[ . 1 . 2]" 1
310 1 37 VAL HB 1 38 TYR H . . 3.560 2.721 2.598 2.886 . 0 0 "[ . 1 . 2]" 1
311 1 37 VAL MG1 1 38 TYR H . . 3.590 3.485 3.304 3.612 0.022 18 0 "[ . 1 . 2]" 1
312 1 37 VAL MG1 1 38 TYR HA . . 4.220 3.533 3.365 3.695 . 0 0 "[ . 1 . 2]" 1
313 1 37 VAL MG1 1 38 TYR QD . . 4.520 4.001 3.576 4.543 0.023 11 0 "[ . 1 . 2]" 1
314 1 37 VAL MG1 1 40 GLY H . . 4.730 4.155 3.981 4.385 . 0 0 "[ . 1 . 2]" 1
315 1 37 VAL MG1 1 41 PHE H . . 4.500 3.495 3.342 3.706 . 0 0 "[ . 1 . 2]" 1
316 1 37 VAL MG1 1 43 THR HA . . 4.220 4.181 4.001 4.261 0.041 11 0 "[ . 1 . 2]" 1
317 1 37 VAL MG2 1 38 TYR H . . 4.110 3.952 3.888 4.014 . 0 0 "[ . 1 . 2]" 1
318 1 37 VAL MG2 1 43 THR H . . 3.840 2.474 2.307 2.616 . 0 0 "[ . 1 . 2]" 1
319 1 37 VAL MG2 1 43 THR HA . . 3.100 2.077 1.975 2.146 . 0 0 "[ . 1 . 2]" 1
320 1 37 VAL MG2 1 43 THR HB . . 3.400 3.423 3.367 3.514 0.114 14 0 "[ . 1 . 2]" 1
321 1 37 VAL MG2 1 43 THR MG . . 3.310 3.338 3.273 3.412 0.102 9 0 "[ . 1 . 2]" 1
322 1 37 VAL MG2 1 46 ALA H . . 4.520 3.982 3.776 4.154 . 0 0 "[ . 1 . 2]" 1
323 1 37 VAL MG2 1 46 ALA MB . . 3.130 2.506 2.327 2.665 . 0 0 "[ . 1 . 2]" 1
324 1 38 TYR H 1 38 TYR HB2 . . 3.010 1.939 1.913 1.976 . 0 0 "[ . 1 . 2]" 1
325 1 38 TYR H 1 38 TYR QD . . 4.850 2.623 2.394 3.435 . 0 0 "[ . 1 . 2]" 1
326 1 38 TYR H 1 39 MET H . . 3.670 2.968 2.795 3.188 . 0 0 "[ . 1 . 2]" 1
327 1 38 TYR H 1 40 GLY H . . 4.880 4.105 3.988 4.255 . 0 0 "[ . 1 . 2]" 1
328 1 38 TYR HA 1 38 TYR QD . . 3.520 2.669 1.983 2.915 . 0 0 "[ . 1 . 2]" 1
329 1 38 TYR HA 1 40 GLY H . . 4.520 4.153 4.009 4.390 . 0 0 "[ . 1 . 2]" 1
330 1 38 TYR HB3 1 39 MET H . . 3.760 2.696 2.241 3.055 . 0 0 "[ . 1 . 2]" 1
331 1 38 TYR HB3 1 39 MET HG2 . . 5.050 4.734 4.286 5.135 0.085 11 0 "[ . 1 . 2]" 1
332 1 38 TYR QD 1 39 MET H . . 4.820 4.422 4.192 4.542 . 0 0 "[ . 1 . 2]" 1
333 1 39 MET H 1 39 MET HB2 . . 3.520 2.209 2.099 2.477 . 0 0 "[ . 1 . 2]" 1
334 1 39 MET H 1 39 MET HB3 . . 3.670 3.466 3.414 3.538 . 0 0 "[ . 1 . 2]" 1
335 1 39 MET H 1 39 MET ME . . 4.220 3.229 2.907 3.791 . 0 0 "[ . 1 . 2]" 1
336 1 39 MET H 1 39 MET HG2 . . 4.190 3.631 3.358 3.780 . 0 0 "[ . 1 . 2]" 1
337 1 39 MET H 1 39 MET HG3 . . 3.670 2.564 2.196 2.815 . 0 0 "[ . 1 . 2]" 1
338 1 39 MET H 1 40 GLY H . . 3.210 2.774 2.609 2.932 . 0 0 "[ . 1 . 2]" 1
339 1 39 MET H 1 40 GLY HA3 . . 5.340 5.348 5.231 5.456 0.116 11 0 "[ . 1 . 2]" 1
340 1 39 MET H 1 41 PHE QE . . 4.540 4.562 4.538 4.648 0.108 18 0 "[ . 1 . 2]" 1
341 1 39 MET HA 1 39 MET ME . . 4.220 4.287 4.255 4.329 0.109 8 0 "[ . 1 . 2]" 1
342 1 39 MET HA 1 39 MET HG2 . . 3.520 2.366 2.268 3.091 . 0 0 "[ . 1 . 2]" 1
343 1 39 MET HA 1 39 MET HG3 . . 3.760 2.846 2.386 2.943 . 0 0 "[ . 1 . 2]" 1
344 1 39 MET HB2 1 39 MET ME . . 2.540 1.964 1.946 2.062 . 0 0 "[ . 1 . 2]" 1
345 1 39 MET HB2 1 40 GLY H . . 4.760 2.917 2.762 3.014 . 0 0 "[ . 1 . 2]" 1
346 1 39 MET HB2 1 41 PHE QE . . 4.520 2.417 2.169 2.533 . 0 0 "[ . 1 . 2]" 1
347 1 39 MET HB3 1 40 GLY H . . 4.880 3.550 3.401 3.769 . 0 0 "[ . 1 . 2]" 1
348 1 39 MET HB3 1 41 PHE QE . . 4.220 2.233 1.989 2.798 . 0 0 "[ . 1 . 2]" 1
349 1 39 MET ME 1 39 MET HG2 . . 3.400 3.316 2.489 3.380 . 0 0 "[ . 1 . 2]" 1
350 1 39 MET ME 1 39 MET HG3 . . 3.590 2.462 2.386 3.375 . 0 0 "[ . 1 . 2]" 1
351 1 39 MET ME 1 41 PHE QD . . 4.520 2.502 2.128 2.687 . 0 0 "[ . 1 . 2]" 1
352 1 39 MET ME 1 41 PHE QE . . 4.520 1.913 1.761 1.961 . 0 0 "[ . 1 . 2]" 1
353 1 39 MET ME 1 41 PHE HZ . . 3.880 3.895 3.550 3.949 0.069 5 0 "[ . 1 . 2]" 1
354 1 40 GLY H 1 41 PHE H . . 3.220 2.193 2.100 2.506 . 0 0 "[ . 1 . 2]" 1
355 1 40 GLY H 1 41 PHE HB3 . . 5.280 5.272 5.165 5.331 0.051 18 0 "[ . 1 . 2]" 1
356 1 41 PHE H 1 41 PHE HB2 . . 3.550 2.753 2.655 2.885 . 0 0 "[ . 1 . 2]" 1
357 1 41 PHE H 1 41 PHE HB3 . . 3.990 3.812 3.756 3.895 . 0 0 "[ . 1 . 2]" 1
358 1 41 PHE H 1 42 ASP H . . 4.850 4.074 3.915 4.146 . 0 0 "[ . 1 . 2]" 1
359 1 41 PHE H 1 46 ALA MB . . 4.820 4.792 4.716 4.862 0.042 11 0 "[ . 1 . 2]" 1
360 1 41 PHE HA 1 41 PHE QD . . 3.520 2.367 2.154 2.566 . 0 0 "[ . 1 . 2]" 1
361 1 41 PHE HA 1 42 ASP H . . 3.350 2.195 2.193 2.201 . 0 0 "[ . 1 . 2]" 1
362 1 41 PHE HB2 1 42 ASP H . . 4.410 4.332 4.272 4.381 . 0 0 "[ . 1 . 2]" 1
363 1 41 PHE HB2 1 46 ALA MB . . 4.020 3.030 2.940 3.146 . 0 0 "[ . 1 . 2]" 1
364 1 41 PHE HB2 1 64 LEU MD1 . . 4.220 2.973 2.777 3.284 . 0 0 "[ . 1 . 2]" 1
365 1 41 PHE HB3 1 42 ASP H . . 3.880 3.699 3.595 3.797 . 0 0 "[ . 1 . 2]" 1
366 1 41 PHE HB3 1 45 VAL QG . . 4.220 2.257 2.138 2.485 . 0 0 "[ . 1 . 2]" 1
367 1 41 PHE HB3 1 46 ALA H . . 5.220 4.047 3.953 4.116 . 0 0 "[ . 1 . 2]" 1
368 1 41 PHE HB3 1 46 ALA MB . . 3.760 3.760 3.680 3.788 0.028 3 0 "[ . 1 . 2]" 1
369 1 41 PHE HB3 1 64 LEU MD1 . . 3.880 2.347 1.961 2.648 . 0 0 "[ . 1 . 2]" 1
370 1 41 PHE QD 1 42 ASP H . . 4.540 4.291 4.165 4.384 . 0 0 "[ . 1 . 2]" 1
371 1 41 PHE QD 1 64 LEU MD1 . . 4.020 2.534 2.236 2.905 . 0 0 "[ . 1 . 2]" 1
372 1 41 PHE QD 1 69 GLY HA2 . . 4.220 2.661 2.003 4.219 . 0 0 "[ . 1 . 2]" 1
373 1 41 PHE QE 1 61 ALA HA . . 3.880 3.130 2.644 3.692 . 0 0 "[ . 1 . 2]" 1
374 1 41 PHE QE 1 61 ALA MB . . 3.590 3.167 2.496 3.625 0.035 11 0 "[ . 1 . 2]" 1
375 1 41 PHE QE 1 64 LEU HB3 . . 4.220 2.690 2.380 2.812 . 0 0 "[ . 1 . 2]" 1
376 1 41 PHE QE 1 64 LEU MD1 . . 4.520 3.291 2.849 3.620 . 0 0 "[ . 1 . 2]" 1
377 1 41 PHE QE 1 65 ALA HA . . 3.590 3.251 2.645 3.662 0.072 18 0 "[ . 1 . 2]" 1
378 1 41 PHE QE 1 69 GLY H . . 5.120 3.326 2.149 5.117 . 0 0 "[ . 1 . 2]" 1
379 1 41 PHE QE 1 69 GLY HA2 . . 4.020 2.821 1.997 3.966 . 0 0 "[ . 1 . 2]" 1
380 1 41 PHE HZ 1 64 LEU H . . 5.170 5.196 5.165 5.254 0.084 11 0 "[ . 1 . 2]" 1
381 1 41 PHE HZ 1 64 LEU HB2 . . 4.520 3.404 2.879 3.895 . 0 0 "[ . 1 . 2]" 1
382 1 41 PHE HZ 1 65 ALA H . . 4.430 3.239 2.589 4.004 . 0 0 "[ . 1 . 2]" 1
383 1 41 PHE HZ 1 65 ALA HA . . 3.590 2.435 2.000 3.021 . 0 0 "[ . 1 . 2]" 1
384 1 41 PHE HZ 1 65 ALA MB . . 3.350 2.870 2.282 3.355 0.005 16 0 "[ . 1 . 2]" 1
385 1 42 ASP H 1 42 ASP QB . . 3.520 2.300 2.177 2.565 . 0 0 "[ . 1 . 2]" 1
386 1 42 ASP H 1 43 THR H . . 4.790 4.591 4.567 4.621 . 0 0 "[ . 1 . 2]" 1
387 1 42 ASP H 1 45 VAL HB . . 4.880 3.218 3.017 3.333 . 0 0 "[ . 1 . 2]" 1
388 1 42 ASP H 1 45 VAL QG . . 4.470 3.342 3.153 3.452 . 0 0 "[ . 1 . 2]" 1
389 1 42 ASP HA 1 43 THR H . . 2.970 2.284 2.268 2.314 . 0 0 "[ . 1 . 2]" 1
390 1 42 ASP QB 1 43 THR H . . 4.210 3.269 3.125 3.712 . 0 0 "[ . 1 . 2]" 1
391 1 42 ASP QB 1 44 VAL H . . 4.560 3.053 2.853 4.004 . 0 0 "[ . 1 . 2]" 1
392 1 42 ASP QB 1 44 VAL QG . . 4.020 3.229 1.864 3.633 . 0 0 "[ . 1 . 2]" 1
393 1 42 ASP QB 1 45 VAL H . . 4.020 2.551 2.422 2.692 . 0 0 "[ . 1 . 2]" 1
394 1 42 ASP QB 1 45 VAL HB . . 3.590 2.581 2.470 2.634 . 0 0 "[ . 1 . 2]" 1
395 1 42 ASP QB 1 45 VAL QG . . 3.520 2.433 2.224 2.634 . 0 0 "[ . 1 . 2]" 1
396 1 42 ASP QB 1 46 ALA H . . 5.340 4.197 4.096 4.526 . 0 0 "[ . 1 . 2]" 1
397 1 43 THR H 1 43 THR HB . . 3.460 2.236 2.186 2.279 . 0 0 "[ . 1 . 2]" 1
398 1 43 THR H 1 43 THR MG . . 3.730 3.668 3.649 3.679 . 0 0 "[ . 1 . 2]" 1
399 1 43 THR H 1 44 VAL H . . 3.700 3.144 2.967 3.224 . 0 0 "[ . 1 . 2]" 1
400 1 43 THR H 1 45 VAL H . . 4.760 4.490 4.416 4.632 . 0 0 "[ . 1 . 2]" 1
401 1 43 THR H 1 46 ALA MB . . 5.080 4.191 4.086 4.422 . 0 0 "[ . 1 . 2]" 1
402 1 43 THR HA 1 43 THR MG . . 3.310 2.634 2.559 2.698 . 0 0 "[ . 1 . 2]" 1
403 1 43 THR HA 1 46 ALA H . . 4.020 3.146 3.081 3.248 . 0 0 "[ . 1 . 2]" 1
404 1 43 THR HA 1 46 ALA MB . . 3.130 2.050 1.983 2.282 . 0 0 "[ . 1 . 2]" 1
405 1 43 THR HA 1 47 GLU H . . 4.220 3.722 3.615 3.877 . 0 0 "[ . 1 . 2]" 1
406 1 43 THR HA 1 47 GLU HG2 . . 4.520 4.110 3.904 4.439 . 0 0 "[ . 1 . 2]" 1
407 1 43 THR HB 1 44 VAL H . . 3.520 2.631 2.454 2.900 . 0 0 "[ . 1 . 2]" 1
408 1 43 THR HB 1 44 VAL QG . . 4.220 3.613 3.240 4.216 . 0 0 "[ . 1 . 2]" 1
409 1 43 THR MG 1 44 VAL H . . 3.670 2.767 2.546 3.175 . 0 0 "[ . 1 . 2]" 1
410 1 43 THR MG 1 44 VAL HA . . 4.020 3.035 2.857 3.284 . 0 0 "[ . 1 . 2]" 1
411 1 43 THR MG 1 47 GLU H . . 4.730 3.497 3.301 3.643 . 0 0 "[ . 1 . 2]" 1
412 1 43 THR MG 1 47 GLU HG2 . . 3.880 2.748 2.614 3.055 . 0 0 "[ . 1 . 2]" 1
413 1 43 THR MG 1 47 GLU HG3 . . 4.220 2.186 1.984 2.313 . 0 0 "[ . 1 . 2]" 1
414 1 44 VAL H 1 44 VAL HB . . 3.080 2.536 2.197 3.519 0.439 15 0 "[ . 1 . 2]" 1
415 1 44 VAL H 1 44 VAL QG . . 3.080 2.097 1.815 2.394 . 0 0 "[ . 1 . 2]" 1
416 1 44 VAL H 1 45 VAL H . . 3.320 2.973 2.699 3.064 . 0 0 "[ . 1 . 2]" 1
417 1 44 VAL H 1 46 ALA H . . 4.850 4.112 3.923 4.203 . 0 0 "[ . 1 . 2]" 1
418 1 44 VAL H 1 46 ALA MB . . 4.950 4.547 4.430 4.589 . 0 0 "[ . 1 . 2]" 1
419 1 44 VAL HA 1 44 VAL QG . . 3.010 2.088 2.040 2.177 . 0 0 "[ . 1 . 2]" 1
420 1 44 VAL HA 1 47 GLU H . . 3.520 3.477 3.371 3.560 0.040 10 0 "[ . 1 . 2]" 1
421 1 44 VAL HA 1 47 GLU HB2 . . 3.590 3.007 2.864 3.150 . 0 0 "[ . 1 . 2]" 1
422 1 44 VAL HA 1 47 GLU HG3 . . 4.220 2.618 2.366 3.068 . 0 0 "[ . 1 . 2]" 1
423 1 44 VAL HA 1 48 ALA H . . 3.850 3.627 3.437 3.806 . 0 0 "[ . 1 . 2]" 1
424 1 44 VAL HB 1 45 VAL H . . 3.210 2.642 2.404 3.687 0.477 14 0 "[ . 1 . 2]" 1
425 1 44 VAL QG 1 45 VAL H . . 3.760 2.887 1.743 3.251 . 0 0 "[ . 1 . 2]" 1
426 1 45 VAL H 1 45 VAL HB . . 3.130 2.194 2.130 2.223 . 0 0 "[ . 1 . 2]" 1
427 1 45 VAL H 1 45 VAL QG . . 3.230 2.345 2.286 2.465 . 0 0 "[ . 1 . 2]" 1
428 1 45 VAL H 1 46 ALA H . . 3.370 2.703 2.643 2.754 . 0 0 "[ . 1 . 2]" 1
429 1 45 VAL H 1 46 ALA MB . . 4.220 4.232 4.178 4.266 0.046 14 0 "[ . 1 . 2]" 1
430 1 45 VAL HA 1 45 VAL QG . . 3.190 2.122 2.109 2.142 . 0 0 "[ . 1 . 2]" 1
431 1 45 VAL HA 1 48 ALA H . . 3.820 3.582 3.340 3.806 . 0 0 "[ . 1 . 2]" 1
432 1 45 VAL HA 1 48 ALA MB . . 3.130 2.502 2.267 2.671 . 0 0 "[ . 1 . 2]" 1
433 1 45 VAL HA 1 71 LEU MD1 . . 4.520 2.754 2.003 5.284 0.764 13 1 "[ . 1 + . 2]" 1
434 1 45 VAL HB 1 46 ALA H . . 3.520 2.821 2.787 2.913 . 0 0 "[ . 1 . 2]" 1
435 1 45 VAL HB 1 64 LEU MD1 . . 4.220 4.139 3.995 4.226 0.006 8 0 "[ . 1 . 2]" 1
436 1 45 VAL HB 1 64 LEU MD2 . . 4.220 4.113 3.587 4.254 0.034 13 0 "[ . 1 . 2]" 1
437 1 45 VAL QG 1 46 ALA H . . 3.880 3.058 2.880 3.183 . 0 0 "[ . 1 . 2]" 1
438 1 45 VAL QG 1 46 ALA HA . . 3.880 3.127 2.988 3.211 . 0 0 "[ . 1 . 2]" 1
439 1 45 VAL QG 1 49 ALA H . . 5.170 3.611 3.551 3.761 . 0 0 "[ . 1 . 2]" 1
440 1 45 VAL QG 1 64 LEU MD1 . . 3.400 2.008 1.935 2.235 . 0 0 "[ . 1 . 2]" 1
441 1 45 VAL QG 1 64 LEU MD2 . . 2.910 1.814 1.634 1.903 . 0 0 "[ . 1 . 2]" 1
442 1 45 VAL QG 1 71 LEU H . . 4.450 3.527 2.844 4.127 . 0 0 "[ . 1 . 2]" 1
443 1 46 ALA H 1 46 ALA MB . . 2.990 2.026 1.969 2.096 . 0 0 "[ . 1 . 2]" 1
444 1 46 ALA H 1 47 GLU H . . 3.630 2.760 2.683 2.813 . 0 0 "[ . 1 . 2]" 1
445 1 46 ALA H 1 49 ALA H . . 4.260 4.381 4.355 4.445 0.185 10 0 "[ . 1 . 2]" 1
446 1 46 ALA HA 1 49 ALA H . . 3.880 3.583 3.382 3.699 . 0 0 "[ . 1 . 2]" 1
447 1 46 ALA HA 1 49 ALA MB . . 3.450 2.376 2.252 2.525 . 0 0 "[ . 1 . 2]" 1
448 1 46 ALA HA 1 50 LEU H . . 4.520 3.746 3.599 3.949 . 0 0 "[ . 1 . 2]" 1
449 1 46 ALA HA 1 64 LEU MD1 . . 3.520 2.839 2.537 3.268 . 0 0 "[ . 1 . 2]" 1
450 1 46 ALA MB 1 47 GLU H . . 3.230 2.482 2.300 2.597 . 0 0 "[ . 1 . 2]" 1
451 1 46 ALA MB 1 47 GLU HA . . 4.220 3.717 3.687 3.752 . 0 0 "[ . 1 . 2]" 1
452 1 46 ALA MB 1 64 LEU MD1 . . 4.220 3.554 3.240 3.902 . 0 0 "[ . 1 . 2]" 1
453 1 47 GLU H 1 47 GLU HB2 . . 3.050 2.756 2.633 2.786 . 0 0 "[ . 1 . 2]" 1
454 1 47 GLU H 1 47 GLU HG2 . . 4.020 2.214 2.081 2.309 . 0 0 "[ . 1 . 2]" 1
455 1 47 GLU H 1 47 GLU HG3 . . 3.720 2.128 2.012 2.385 . 0 0 "[ . 1 . 2]" 1
456 1 47 GLU H 1 48 ALA H . . 3.520 2.801 2.630 2.950 . 0 0 "[ . 1 . 2]" 1
457 1 47 GLU HA 1 47 GLU HB3 . . 2.880 2.396 2.370 2.471 . 0 0 "[ . 1 . 2]" 1
458 1 47 GLU HA 1 47 GLU HG2 . . 3.760 2.569 2.423 2.632 . 0 0 "[ . 1 . 2]" 1
459 1 47 GLU HA 1 47 GLU HG3 . . 3.590 3.623 3.574 3.681 0.091 2 0 "[ . 1 . 2]" 1
460 1 47 GLU HA 1 50 LEU H . . 4.220 3.822 3.630 3.982 . 0 0 "[ . 1 . 2]" 1
461 1 47 GLU HA 1 50 LEU HB2 . . 3.670 2.976 2.894 3.030 . 0 0 "[ . 1 . 2]" 1
462 1 47 GLU HA 1 50 LEU HB3 . . 4.520 4.552 4.504 4.582 0.062 20 0 "[ . 1 . 2]" 1
463 1 47 GLU HA 1 50 LEU MD1 . . 3.760 2.736 1.978 2.989 . 0 0 "[ . 1 . 2]" 1
464 1 47 GLU HA 1 51 ARG H . . 4.730 4.232 4.029 4.769 0.039 6 0 "[ . 1 . 2]" 1
465 1 47 GLU HB2 1 48 ALA H . . 3.320 2.497 2.372 2.749 . 0 0 "[ . 1 . 2]" 1
466 1 47 GLU HB2 1 48 ALA HA . . 4.520 4.031 3.998 4.155 . 0 0 "[ . 1 . 2]" 1
467 1 47 GLU HB2 1 48 ALA MB . . 4.020 3.808 3.747 3.907 . 0 0 "[ . 1 . 2]" 1
468 1 47 GLU HB2 1 49 ALA H . . 4.990 4.997 4.915 5.047 0.057 10 0 "[ . 1 . 2]" 1
469 1 47 GLU HG2 1 48 ALA H . . 4.520 4.431 4.352 4.528 0.008 13 0 "[ . 1 . 2]" 1
470 1 47 GLU HG3 1 48 ALA H . . 4.520 3.865 3.777 4.189 . 0 0 "[ . 1 . 2]" 1
471 1 48 ALA H 1 48 ALA MB . . 2.890 2.023 1.951 2.120 . 0 0 "[ . 1 . 2]" 1
472 1 48 ALA H 1 49 ALA H . . 3.530 2.696 2.532 2.794 . 0 0 "[ . 1 . 2]" 1
473 1 48 ALA H 1 50 LEU H . . 5.220 4.533 4.202 4.702 . 0 0 "[ . 1 . 2]" 1
474 1 48 ALA HA 1 51 ARG H . . 3.950 3.604 3.129 3.913 . 0 0 "[ . 1 . 2]" 1
475 1 48 ALA HA 1 51 ARG HB2 . . 3.760 2.880 2.415 3.994 0.234 10 0 "[ . 1 . 2]" 1
476 1 48 ALA HA 1 51 ARG HB3 . . 3.880 3.525 2.256 3.935 0.055 17 0 "[ . 1 . 2]" 1
477 1 48 ALA HA 1 51 ARG HD3 . . 4.020 3.403 2.600 3.948 . 0 0 "[ . 1 . 2]" 1
478 1 48 ALA MB 1 49 ALA H . . 3.270 2.603 2.460 2.790 . 0 0 "[ . 1 . 2]" 1
479 1 48 ALA MB 1 51 ARG HD3 . . 4.520 4.316 3.039 5.000 0.480 17 0 "[ . 1 . 2]" 1
480 1 48 ALA MB 1 52 VAL H . . 4.610 4.594 4.478 4.672 0.062 7 0 "[ . 1 . 2]" 1
481 1 48 ALA MB 1 52 VAL QG . . 3.520 3.081 2.912 3.162 . 0 0 "[ . 1 . 2]" 1
482 1 49 ALA H 1 49 ALA MB . . 2.920 2.163 2.148 2.182 . 0 0 "[ . 1 . 2]" 1
483 1 49 ALA H 1 50 LEU H . . 3.680 3.010 2.890 3.105 . 0 0 "[ . 1 . 2]" 1
484 1 49 ALA H 1 51 ARG H . . 5.220 4.343 3.823 4.737 . 0 0 "[ . 1 . 2]" 1
485 1 49 ALA H 1 71 LEU MD1 . . 4.070 3.050 2.454 4.167 0.097 13 0 "[ . 1 . 2]" 1
486 1 49 ALA H 1 71 LEU MD2 . . 4.520 3.869 3.321 4.416 . 0 0 "[ . 1 . 2]" 1
487 1 49 ALA HA 1 52 VAL H . . 3.880 3.344 2.947 3.567 . 0 0 "[ . 1 . 2]" 1
488 1 49 ALA HA 1 52 VAL HB . . 3.520 2.852 2.414 3.032 . 0 0 "[ . 1 . 2]" 1
489 1 49 ALA HA 1 52 VAL QG . . 3.030 2.063 1.948 2.213 . 0 0 "[ . 1 . 2]" 1
490 1 49 ALA HA 1 53 PHE H . . 4.020 4.053 3.984 4.087 0.067 8 0 "[ . 1 . 2]" 1
491 1 49 ALA HA 1 53 PHE QD . . 4.220 3.390 3.289 3.567 . 0 0 "[ . 1 . 2]" 1
492 1 49 ALA HA 1 71 LEU MD1 . . 3.590 2.842 2.410 3.586 . 0 0 "[ . 1 . 2]" 1
493 1 49 ALA HA 1 71 LEU MD2 . . 3.450 2.241 1.966 3.613 0.163 13 0 "[ . 1 . 2]" 1
494 1 49 ALA HA 1 71 LEU HG . . 4.520 4.205 2.896 4.536 0.016 8 0 "[ . 1 . 2]" 1
495 1 49 ALA MB 1 50 LEU H . . 3.450 2.226 2.102 2.500 . 0 0 "[ . 1 . 2]" 1
496 1 49 ALA MB 1 50 LEU MD1 . . 3.880 3.891 3.786 3.936 0.056 11 0 "[ . 1 . 2]" 1
497 1 49 ALA MB 1 50 LEU MD2 . . 4.640 4.588 4.295 4.705 0.065 18 0 "[ . 1 . 2]" 1
498 1 49 ALA MB 1 53 PHE QD . . 3.760 2.910 2.712 3.160 . 0 0 "[ . 1 . 2]" 1
499 1 49 ALA MB 1 53 PHE HZ . . 4.520 4.526 4.443 4.552 0.032 6 0 "[ . 1 . 2]" 1
500 1 49 ALA MB 1 64 LEU MD1 . . 3.130 2.265 1.975 2.730 . 0 0 "[ . 1 . 2]" 1
501 1 49 ALA MB 1 64 LEU MD2 . . 3.350 2.729 2.047 3.358 0.008 18 0 "[ . 1 . 2]" 1
502 1 49 ALA MB 1 71 LEU MD2 . . 3.030 2.388 1.878 2.925 . 0 0 "[ . 1 . 2]" 1
503 1 50 LEU H 1 50 LEU HB2 . . 3.280 2.308 2.196 2.405 . 0 0 "[ . 1 . 2]" 1
504 1 50 LEU H 1 50 LEU HB3 . . 3.730 3.512 3.472 3.533 . 0 0 "[ . 1 . 2]" 1
505 1 50 LEU H 1 50 LEU MD1 . . 3.990 3.056 2.917 3.125 . 0 0 "[ . 1 . 2]" 1
506 1 50 LEU H 1 50 LEU MD2 . . 4.020 3.938 3.779 4.057 0.037 20 0 "[ . 1 . 2]" 1
507 1 50 LEU H 1 50 LEU HG . . 3.400 2.570 2.314 2.806 . 0 0 "[ . 1 . 2]" 1
508 1 50 LEU H 1 51 ARG H . . 3.570 3.000 2.683 3.220 . 0 0 "[ . 1 . 2]" 1
509 1 50 LEU H 1 60 ALA MB . . 4.220 3.384 3.088 3.820 . 0 0 "[ . 1 . 2]" 1
510 1 50 LEU HA 1 50 LEU MD2 . . 2.880 2.600 2.378 2.686 . 0 0 "[ . 1 . 2]" 1
511 1 50 LEU HA 1 50 LEU HG . . 3.590 2.496 2.435 2.658 . 0 0 "[ . 1 . 2]" 1
512 1 50 LEU HA 1 53 PHE H . . 4.220 3.692 3.452 3.810 . 0 0 "[ . 1 . 2]" 1
513 1 50 LEU HA 1 53 PHE HB2 . . 4.220 3.367 3.208 3.555 . 0 0 "[ . 1 . 2]" 1
514 1 50 LEU HA 1 55 GLY H . . 3.960 3.721 2.890 3.985 0.025 1 0 "[ . 1 . 2]" 1
515 1 50 LEU HA 1 56 ASN H . . 4.920 2.912 2.624 3.345 . 0 0 "[ . 1 . 2]" 1
516 1 50 LEU HA 1 57 VAL MG2 . . 5.070 5.040 4.872 5.125 0.055 19 0 "[ . 1 . 2]" 1
517 1 50 LEU HA 1 60 ALA MB . . 3.450 2.891 2.448 3.358 . 0 0 "[ . 1 . 2]" 1
518 1 50 LEU HB2 1 50 LEU MD1 . . 3.160 2.123 2.011 2.198 . 0 0 "[ . 1 . 2]" 1
519 1 50 LEU HB2 1 50 LEU MD2 . . 3.400 3.128 3.111 3.154 . 0 0 "[ . 1 . 2]" 1
520 1 50 LEU HB2 1 51 ARG H . . 4.020 2.668 2.412 3.218 . 0 0 "[ . 1 . 2]" 1
521 1 50 LEU HB3 1 50 LEU MD1 . . 3.350 2.685 2.646 2.775 . 0 0 "[ . 1 . 2]" 1
522 1 50 LEU HB3 1 50 LEU MD2 . . 2.880 2.065 2.008 2.245 . 0 0 "[ . 1 . 2]" 1
523 1 50 LEU HB3 1 51 ARG H . . 4.220 3.294 2.874 4.061 . 0 0 "[ . 1 . 2]" 1
524 1 50 LEU HB3 1 55 GLY H . . 4.680 4.110 2.712 4.721 0.041 13 0 "[ . 1 . 2]" 1
525 1 50 LEU HB3 1 55 GLY HA2 . . 4.220 2.004 1.966 2.081 . 0 0 "[ . 1 . 2]" 1
526 1 50 LEU HB3 1 55 GLY HA3 . . 3.880 3.249 3.010 3.527 . 0 0 "[ . 1 . 2]" 1
527 1 50 LEU MD1 1 57 VAL MG2 . . 3.880 2.812 2.435 3.333 . 0 0 "[ . 1 . 2]" 1
528 1 50 LEU MD2 1 55 GLY H . . 4.520 4.088 3.345 4.379 . 0 0 "[ . 1 . 2]" 1
529 1 50 LEU MD2 1 55 GLY HA2 . . 4.020 2.211 1.933 2.516 . 0 0 "[ . 1 . 2]" 1
530 1 50 LEU MD2 1 55 GLY HA3 . . 3.590 3.064 2.696 3.375 . 0 0 "[ . 1 . 2]" 1
531 1 50 LEU MD2 1 56 ASN H . . 4.520 2.919 2.617 3.251 . 0 0 "[ . 1 . 2]" 1
532 1 50 LEU MD2 1 57 VAL H . . 4.950 2.674 2.296 3.102 . 0 0 "[ . 1 . 2]" 1
533 1 50 LEU MD2 1 57 VAL HA . . 2.970 2.272 1.975 2.651 . 0 0 "[ . 1 . 2]" 1
534 1 50 LEU MD2 1 57 VAL MG2 . . 2.970 1.878 1.754 2.036 . 0 0 "[ . 1 . 2]" 1
535 1 50 LEU MD2 1 60 ALA MB . . 3.160 3.133 2.966 3.198 0.038 19 0 "[ . 1 . 2]" 1
536 1 50 LEU HG 1 60 ALA MB . . 3.520 2.967 2.782 3.223 . 0 0 "[ . 1 . 2]" 1
537 1 51 ARG H 1 51 ARG HB2 . . 3.450 2.491 2.141 3.423 . 0 0 "[ . 1 . 2]" 1
538 1 51 ARG H 1 51 ARG HB3 . . 3.520 3.134 2.045 3.504 . 0 0 "[ . 1 . 2]" 1
539 1 51 ARG H 1 51 ARG HD2 . . 4.730 4.359 3.816 4.735 0.005 16 0 "[ . 1 . 2]" 1
540 1 51 ARG H 1 51 ARG HG2 . . 3.880 3.737 3.157 3.929 0.049 14 0 "[ . 1 . 2]" 1
541 1 51 ARG H 1 51 ARG HG3 . . 3.900 3.137 2.676 4.147 0.247 20 0 "[ . 1 . 2]" 1
542 1 51 ARG HA 1 51 ARG HG2 . . 4.220 2.751 2.337 3.818 . 0 0 "[ . 1 . 2]" 1
543 1 51 ARG HA 1 51 ARG HG3 . . 3.520 2.789 2.530 3.433 . 0 0 "[ . 1 . 2]" 1
544 1 51 ARG HB2 1 51 ARG HD2 . . 3.450 2.876 2.313 3.433 . 0 0 "[ . 1 . 2]" 1
545 1 51 ARG HB2 1 52 VAL H . . 3.560 3.234 2.726 4.404 0.844 20 5 "[ .** - * . +]" 1
546 1 51 ARG HB2 1 52 VAL QG . . 4.220 3.641 3.272 4.502 0.282 13 0 "[ . 1 . 2]" 1
547 1 51 ARG HB3 1 51 ARG HD2 . . 3.760 3.262 2.407 3.773 0.013 15 0 "[ . 1 . 2]" 1
548 1 51 ARG HB3 1 52 VAL QG . . 4.220 3.508 3.244 3.919 . 0 0 "[ . 1 . 2]" 1
549 1 52 VAL H 1 52 VAL HB . . 3.310 2.535 2.354 2.598 . 0 0 "[ . 1 . 2]" 1
550 1 52 VAL H 1 52 VAL QG . . 3.010 2.007 1.927 2.206 . 0 0 "[ . 1 . 2]" 1
551 1 52 VAL H 1 53 PHE HB2 . . 5.170 5.091 4.729 5.205 0.035 4 0 "[ . 1 . 2]" 1
552 1 52 VAL H 1 53 PHE QD . . 5.170 4.020 3.646 4.222 . 0 0 "[ . 1 . 2]" 1
553 1 52 VAL HA 1 52 VAL QG . . 3.100 2.131 2.087 2.157 . 0 0 "[ . 1 . 2]" 1
554 1 52 VAL HB 1 53 PHE H . . 3.030 2.132 1.930 2.641 . 0 0 "[ . 1 . 2]" 1
555 1 52 VAL HB 1 53 PHE QD . . 4.220 2.911 2.713 3.209 . 0 0 "[ . 1 . 2]" 1
556 1 52 VAL QG 1 53 PHE H . . 4.160 3.008 2.877 3.319 . 0 0 "[ . 1 . 2]" 1
557 1 52 VAL QG 1 53 PHE QD . . 3.760 3.430 3.294 3.504 . 0 0 "[ . 1 . 2]" 1
558 1 52 VAL QG 1 53 PHE HZ . . 3.880 3.795 3.654 3.871 . 0 0 "[ . 1 . 2]" 1
559 1 52 VAL QG 1 71 LEU MD2 . . 4.020 2.597 1.898 3.723 . 0 0 "[ . 1 . 2]" 1
560 1 52 VAL QG 1 75 LEU HB3 . . 4.220 4.045 3.719 4.180 . 0 0 "[ . 1 . 2]" 1
561 1 52 VAL QG 1 75 LEU QD . . 3.880 1.815 1.503 2.774 . 0 0 "[ . 1 . 2]" 1
562 1 53 PHE H 1 53 PHE HB2 . . 3.520 2.508 2.394 2.559 . 0 0 "[ . 1 . 2]" 1
563 1 53 PHE H 1 53 PHE HB3 . . 3.750 3.489 3.461 3.580 . 0 0 "[ . 1 . 2]" 1
564 1 53 PHE H 1 53 PHE QD . . 3.760 2.140 1.918 2.393 . 0 0 "[ . 1 . 2]" 1
565 1 53 PHE H 1 54 GLY H . . 3.820 3.555 2.746 3.839 0.019 11 0 "[ . 1 . 2]" 1
566 1 53 PHE H 1 60 ALA MB . . 4.820 4.026 3.541 4.421 . 0 0 "[ . 1 . 2]" 1
567 1 53 PHE HB2 1 56 ASN H . . 4.820 2.613 2.378 2.854 . 0 0 "[ . 1 . 2]" 1
568 1 53 PHE HB2 1 56 ASN HB2 . . 4.220 2.992 2.611 3.390 . 0 0 "[ . 1 . 2]" 1
569 1 53 PHE HB2 1 56 ASN HB3 . . 4.220 4.121 3.837 4.274 0.054 19 0 "[ . 1 . 2]" 1
570 1 53 PHE HB2 1 59 LEU HB2 . . 3.760 2.989 2.741 3.472 . 0 0 "[ . 1 . 2]" 1
571 1 53 PHE HB2 1 59 LEU QD . . 4.220 3.943 3.390 4.101 . 0 0 "[ . 1 . 2]" 1
572 1 53 PHE HB2 1 60 ALA MB . . 3.880 3.220 2.586 3.921 0.041 19 0 "[ . 1 . 2]" 1
573 1 53 PHE HB3 1 54 GLY H . . 4.680 4.423 3.165 4.581 . 0 0 "[ . 1 . 2]" 1
574 1 53 PHE HB3 1 56 ASN H . . 4.360 3.712 3.491 3.946 . 0 0 "[ . 1 . 2]" 1
575 1 53 PHE HB3 1 56 ASN HB2 . . 3.880 2.893 2.500 3.234 . 0 0 "[ . 1 . 2]" 1
576 1 53 PHE HB3 1 56 ASN HB3 . . 4.220 3.997 3.684 4.222 0.002 15 0 "[ . 1 . 2]" 1
577 1 53 PHE HB3 1 59 LEU HB2 . . 3.880 2.411 2.005 2.986 . 0 0 "[ . 1 . 2]" 1
578 1 53 PHE HB3 1 59 LEU HB3 . . 4.220 2.221 1.990 2.786 . 0 0 "[ . 1 . 2]" 1
579 1 53 PHE HB3 1 59 LEU QD . . 3.880 2.566 2.230 2.747 . 0 0 "[ . 1 . 2]" 1
580 1 53 PHE QD 1 59 LEU HB3 . . 4.020 2.719 2.192 3.070 . 0 0 "[ . 1 . 2]" 1
581 1 53 PHE QD 1 59 LEU QD . . 3.350 3.092 2.628 3.313 . 0 0 "[ . 1 . 2]" 1
582 1 53 PHE QD 1 60 ALA H . . 5.030 3.772 3.411 4.019 . 0 0 "[ . 1 . 2]" 1
583 1 53 PHE QD 1 60 ALA HA . . 3.590 2.717 2.374 3.387 . 0 0 "[ . 1 . 2]" 1
584 1 53 PHE QD 1 60 ALA MB . . 3.450 2.263 1.958 2.829 . 0 0 "[ . 1 . 2]" 1
585 1 53 PHE QE 1 63 THR MG . . 3.450 2.868 2.337 3.340 . 0 0 "[ . 1 . 2]" 1
586 1 53 PHE QE 1 71 LEU MD2 . . 4.020 2.394 1.995 3.925 . 0 0 "[ . 1 . 2]" 1
587 1 53 PHE HZ 1 60 ALA HA . . 4.020 3.657 2.922 3.999 . 0 0 "[ . 1 . 2]" 1
588 1 53 PHE HZ 1 63 THR HB . . 4.220 2.509 2.042 3.048 . 0 0 "[ . 1 . 2]" 1
589 1 53 PHE HZ 1 63 THR MG . . 3.590 1.965 1.805 2.194 . 0 0 "[ . 1 . 2]" 1
590 1 53 PHE HZ 1 71 LEU MD2 . . 3.670 2.984 2.098 4.604 0.934 13 1 "[ . 1 + . 2]" 1
591 1 54 GLY H 1 55 GLY H . . 3.870 3.349 2.368 3.723 . 0 0 "[ . 1 . 2]" 1
592 1 55 GLY H 1 56 ASN H . . 3.850 2.696 1.888 3.295 . 0 0 "[ . 1 . 2]" 1
593 1 56 ASN H 1 56 ASN HB2 . . 3.460 2.337 2.193 2.527 . 0 0 "[ . 1 . 2]" 1
594 1 56 ASN H 1 56 ASN HB3 . . 3.460 3.426 3.249 3.528 0.068 19 0 "[ . 1 . 2]" 1
595 1 56 ASN H 1 56 ASN HD21 . . 5.170 4.903 3.852 5.238 0.068 14 0 "[ . 1 . 2]" 1
596 1 56 ASN H 1 57 VAL H . . 4.950 4.169 3.915 4.496 . 0 0 "[ . 1 . 2]" 1
597 1 56 ASN H 1 59 LEU HB2 . . 4.920 3.718 3.515 4.028 . 0 0 "[ . 1 . 2]" 1
598 1 56 ASN H 1 59 LEU HB3 . . 5.120 5.061 4.861 5.261 0.141 19 0 "[ . 1 . 2]" 1
599 1 56 ASN HA 1 57 VAL H . . 3.040 2.287 2.252 2.411 . 0 0 "[ . 1 . 2]" 1
600 1 56 ASN HA 1 58 GLN H . . 4.520 3.945 3.651 4.511 . 0 0 "[ . 1 . 2]" 1
601 1 56 ASN HB2 1 57 VAL H . . 4.880 4.606 4.420 4.711 . 0 0 "[ . 1 . 2]" 1
602 1 56 ASN HB2 1 59 LEU H . . 4.700 3.573 3.382 3.734 . 0 0 "[ . 1 . 2]" 1
603 1 56 ASN HB2 1 59 LEU HB2 . . 3.880 2.079 1.988 2.439 . 0 0 "[ . 1 . 2]" 1
604 1 56 ASN HB2 1 59 LEU HB3 . . 4.020 3.520 3.277 3.833 . 0 0 "[ . 1 . 2]" 1
605 1 56 ASN HB2 1 59 LEU QD . . 5.500 3.128 1.977 3.440 . 0 0 "[ . 1 . 2]" 1
606 1 56 ASN HB2 1 59 LEU HG . . 3.760 2.780 2.416 4.419 0.659 19 1 "[ . 1 . +2]" 1
607 1 56 ASN HB2 1 60 ALA H . . 4.950 3.776 3.302 4.283 . 0 0 "[ . 1 . 2]" 1
608 1 56 ASN HB3 1 57 VAL H . . 4.610 3.833 3.382 4.192 . 0 0 "[ . 1 . 2]" 1
609 1 56 ASN HB3 1 59 LEU H . . 5.410 2.065 1.948 2.382 . 0 0 "[ . 1 . 2]" 1
610 1 56 ASN HB3 1 59 LEU HB2 . . 4.520 2.008 1.882 2.293 . 0 0 "[ . 1 . 2]" 1
611 1 56 ASN HB3 1 59 LEU QD . . 4.220 3.023 1.772 3.304 . 0 0 "[ . 1 . 2]" 1
612 1 56 ASN HB3 1 59 LEU HG . . 4.220 2.382 2.031 3.923 . 0 0 "[ . 1 . 2]" 1
613 1 56 ASN HD21 1 59 LEU QD . . 4.450 2.574 1.601 3.094 . 0 0 "[ . 1 . 2]" 1
614 1 56 ASN HD21 1 59 LEU HG . . 4.790 2.104 1.938 3.646 . 0 0 "[ . 1 . 2]" 1
615 1 56 ASN HD22 1 59 LEU H . . 4.950 4.790 4.273 5.518 0.568 2 1 "[ + . 1 . 2]" 1
616 1 56 ASN HD22 1 59 LEU HB2 . . 4.760 4.816 4.679 5.322 0.562 6 1 "[ .+ 1 . 2]" 1
617 1 56 ASN HD22 1 59 LEU QD . . 4.020 3.422 2.374 3.761 . 0 0 "[ . 1 . 2]" 1
618 1 56 ASN HD22 1 59 LEU HG . . 4.700 3.281 3.056 5.022 0.322 19 0 "[ . 1 . 2]" 1
619 1 57 VAL H 1 57 VAL HB . . 3.300 2.309 2.178 2.465 . 0 0 "[ . 1 . 2]" 1
620 1 57 VAL H 1 57 VAL MG1 . . 4.100 3.676 3.625 3.710 . 0 0 "[ . 1 . 2]" 1
621 1 57 VAL H 1 57 VAL MG2 . . 3.230 2.313 2.015 2.642 . 0 0 "[ . 1 . 2]" 1
622 1 57 VAL H 1 58 GLN H . . 3.630 2.836 2.510 3.157 . 0 0 "[ . 1 . 2]" 1
623 1 57 VAL HA 1 57 VAL MG1 . . 3.080 2.528 2.470 2.604 . 0 0 "[ . 1 . 2]" 1
624 1 57 VAL HA 1 57 VAL MG2 . . 3.080 2.231 2.100 2.378 . 0 0 "[ . 1 . 2]" 1
625 1 57 VAL HA 1 60 ALA H . . 4.220 3.912 3.659 4.237 0.017 11 0 "[ . 1 . 2]" 1
626 1 57 VAL HA 1 60 ALA MB . . 3.270 2.761 2.385 3.093 . 0 0 "[ . 1 . 2]" 1
627 1 57 VAL HA 1 61 ALA H . . 4.520 3.765 3.488 4.068 . 0 0 "[ . 1 . 2]" 1
628 1 57 VAL HB 1 58 GLN H . . 3.310 2.641 2.360 2.813 . 0 0 "[ . 1 . 2]" 1
629 1 57 VAL MG1 1 58 GLN H . . 3.900 3.190 2.743 3.476 . 0 0 "[ . 1 . 2]" 1
630 1 57 VAL MG1 1 58 GLN HA . . 3.880 3.276 2.959 3.490 . 0 0 "[ . 1 . 2]" 1
631 1 57 VAL MG1 1 61 ALA MB . . 3.670 2.910 2.670 3.218 . 0 0 "[ . 1 . 2]" 1
632 1 57 VAL MG2 1 58 GLN H . . 4.220 4.007 3.868 4.119 . 0 0 "[ . 1 . 2]" 1
633 1 58 GLN H 1 58 GLN HB2 . . 3.110 2.045 2.029 2.066 . 0 0 "[ . 1 . 2]" 1
634 1 58 GLN H 1 58 GLN HB3 . . 3.310 3.087 3.031 3.132 . 0 0 "[ . 1 . 2]" 1
635 1 58 GLN H 1 58 GLN HG3 . . 3.800 3.833 3.794 3.888 0.088 15 0 "[ . 1 . 2]" 1
636 1 58 GLN H 1 59 LEU H . . 3.450 2.957 2.778 3.168 . 0 0 "[ . 1 . 2]" 1
637 1 58 GLN HA 1 58 GLN HB2 . . 3.030 2.790 2.767 2.809 . 0 0 "[ . 1 . 2]" 1
638 1 58 GLN HA 1 58 GLN HG3 . . 3.400 2.087 2.017 2.192 . 0 0 "[ . 1 . 2]" 1
639 1 58 GLN HA 1 61 ALA H . . 4.150 3.576 3.104 3.975 . 0 0 "[ . 1 . 2]" 1
640 1 58 GLN HA 1 61 ALA MB . . 3.400 2.584 2.399 2.794 . 0 0 "[ . 1 . 2]" 1
641 1 58 GLN HA 1 62 GLN H . . 3.670 3.515 3.179 3.774 0.104 11 0 "[ . 1 . 2]" 1
642 1 58 GLN HB2 1 58 GLN HG3 . . 2.780 2.687 2.602 2.757 . 0 0 "[ . 1 . 2]" 1
643 1 58 GLN HB2 1 59 LEU H . . 3.760 3.103 2.983 3.273 . 0 0 "[ . 1 . 2]" 1
644 1 58 GLN HB3 1 59 LEU H . . 3.520 2.245 2.068 2.496 . 0 0 "[ . 1 . 2]" 1
645 1 58 GLN HB3 1 59 LEU QD . . 3.880 2.362 2.289 2.448 . 0 0 "[ . 1 . 2]" 1
646 1 58 GLN HG2 1 59 LEU H . . 4.540 4.342 4.208 4.524 . 0 0 "[ . 1 . 2]" 1
647 1 58 GLN HG2 1 59 LEU HA . . 4.910 4.913 4.824 4.932 0.022 18 0 "[ . 1 . 2]" 1
648 1 58 GLN HG2 1 59 LEU QD . . 4.020 3.910 3.790 4.031 0.011 15 0 "[ . 1 . 2]" 1
649 1 58 GLN HG3 1 61 ALA MB . . 3.880 3.841 3.597 3.921 0.041 18 0 "[ . 1 . 2]" 1
650 1 59 LEU H 1 59 LEU HB2 . . 3.340 2.434 2.354 2.494 . 0 0 "[ . 1 . 2]" 1
651 1 59 LEU H 1 59 LEU HB3 . . 3.590 3.540 3.527 3.548 . 0 0 "[ . 1 . 2]" 1
652 1 59 LEU H 1 59 LEU QD . . 4.030 2.049 1.787 2.210 . 0 0 "[ . 1 . 2]" 1
653 1 59 LEU H 1 59 LEU HG . . 3.350 2.741 2.613 3.683 0.333 19 0 "[ . 1 . 2]" 1
654 1 59 LEU H 1 60 ALA H . . 3.480 3.050 2.876 3.283 . 0 0 "[ . 1 . 2]" 1
655 1 59 LEU H 1 61 ALA H . . 4.730 4.647 4.530 4.746 0.016 13 0 "[ . 1 . 2]" 1
656 1 59 LEU HA 1 59 LEU QD . . 3.030 1.884 1.843 2.315 . 0 0 "[ . 1 . 2]" 1
657 1 59 LEU HA 1 59 LEU HG . . 4.220 3.475 2.556 3.538 . 0 0 "[ . 1 . 2]" 1
658 1 59 LEU HA 1 62 GLN H . . 3.760 3.710 3.446 3.791 0.031 18 0 "[ . 1 . 2]" 1
659 1 59 LEU HA 1 62 GLN QB . . 3.520 2.431 2.328 2.817 . 0 0 "[ . 1 . 2]" 1
660 1 59 LEU HA 1 63 THR H . . 4.560 4.410 3.938 4.572 0.012 1 0 "[ . 1 . 2]" 1
661 1 59 LEU HB2 1 59 LEU QD . . 2.880 2.545 2.079 2.587 . 0 0 "[ . 1 . 2]" 1
662 1 59 LEU HB2 1 60 ALA H . . 4.020 2.547 2.173 3.067 . 0 0 "[ . 1 . 2]" 1
663 1 59 LEU HB3 1 59 LEU QD . . 2.950 2.086 1.977 2.397 . 0 0 "[ . 1 . 2]" 1
664 1 59 LEU HB3 1 60 ALA H . . 3.680 3.389 2.878 3.879 0.199 8 0 "[ . 1 . 2]" 1
665 1 59 LEU HB3 1 60 ALA HA . . 4.520 4.270 4.089 4.450 . 0 0 "[ . 1 . 2]" 1
666 1 59 LEU QD 1 60 ALA H . . 4.630 3.974 3.766 4.060 . 0 0 "[ . 1 . 2]" 1
667 1 59 LEU QD 1 62 GLN HE21 . . 5.410 4.007 2.843 5.075 . 0 0 "[ . 1 . 2]" 1
668 1 60 ALA H 1 60 ALA MB . . 2.990 1.996 1.932 2.184 . 0 0 "[ . 1 . 2]" 1
669 1 60 ALA H 1 61 ALA H . . 3.430 2.943 2.546 3.167 . 0 0 "[ . 1 . 2]" 1
670 1 60 ALA H 1 61 ALA MB . . 4.700 4.430 4.167 4.618 . 0 0 "[ . 1 . 2]" 1
671 1 60 ALA H 1 62 GLN QB . . 4.820 4.639 4.367 4.798 . 0 0 "[ . 1 . 2]" 1
672 1 60 ALA HA 1 63 THR H . . 4.120 3.551 3.345 3.955 . 0 0 "[ . 1 . 2]" 1
673 1 60 ALA HA 1 63 THR HB . . 3.760 2.952 2.600 3.465 . 0 0 "[ . 1 . 2]" 1
674 1 60 ALA HA 1 64 LEU H . . 4.990 3.812 3.528 4.094 . 0 0 "[ . 1 . 2]" 1
675 1 60 ALA MB 1 61 ALA H . . 3.190 2.349 2.172 2.562 . 0 0 "[ . 1 . 2]" 1
676 1 60 ALA MB 1 61 ALA HA . . 3.880 3.668 3.599 3.782 . 0 0 "[ . 1 . 2]" 1
677 1 60 ALA MB 1 64 LEU MD1 . . 3.880 2.482 1.943 3.044 . 0 0 "[ . 1 . 2]" 1
678 1 61 ALA H 1 61 ALA MB . . 2.850 2.119 1.999 2.165 . 0 0 "[ . 1 . 2]" 1
679 1 61 ALA H 1 62 GLN H . . 3.360 2.931 2.636 3.028 . 0 0 "[ . 1 . 2]" 1
680 1 61 ALA H 1 62 GLN QB . . 4.760 4.497 4.362 4.597 . 0 0 "[ . 1 . 2]" 1
681 1 61 ALA H 1 63 THR H . . 5.170 4.191 3.974 4.431 . 0 0 "[ . 1 . 2]" 1
682 1 61 ALA HA 1 64 LEU H . . 4.220 3.248 2.970 3.738 . 0 0 "[ . 1 . 2]" 1
683 1 61 ALA HA 1 64 LEU HB2 . . 4.020 2.184 1.982 2.675 . 0 0 "[ . 1 . 2]" 1
684 1 61 ALA HA 1 64 LEU MD1 . . 3.760 3.073 2.630 3.486 . 0 0 "[ . 1 . 2]" 1
685 1 61 ALA HA 1 65 ALA H . . 5.170 3.196 2.844 3.704 . 0 0 "[ . 1 . 2]" 1
686 1 61 ALA MB 1 62 GLN H . . 3.190 2.343 2.204 2.585 . 0 0 "[ . 1 . 2]" 1
687 1 61 ALA MB 1 62 GLN QB . . 4.520 3.946 3.859 4.099 . 0 0 "[ . 1 . 2]" 1
688 1 61 ALA MB 1 63 THR H . . 4.480 4.347 4.119 4.620 0.140 15 0 "[ . 1 . 2]" 1
689 1 62 GLN H 1 62 GLN QB . . 2.860 2.075 2.006 2.111 . 0 0 "[ . 1 . 2]" 1
690 1 62 GLN H 1 62 GLN HG2 . . 3.840 3.400 3.041 3.840 . 0 0 "[ . 1 . 2]" 1
691 1 62 GLN H 1 62 GLN HG3 . . 3.880 3.609 3.142 4.207 0.327 15 0 "[ . 1 . 2]" 1
692 1 62 GLN H 1 63 THR H . . 3.450 2.930 2.770 3.053 . 0 0 "[ . 1 . 2]" 1
693 1 62 GLN HA 1 62 GLN HG2 . . 4.220 2.391 1.967 3.822 . 0 0 "[ . 1 . 2]" 1
694 1 62 GLN HA 1 62 GLN HG3 . . 3.880 3.281 2.810 3.546 . 0 0 "[ . 1 . 2]" 1
695 1 62 GLN HA 1 65 ALA H . . 4.230 4.106 3.844 4.242 0.012 8 0 "[ . 1 . 2]" 1
696 1 62 GLN HA 1 65 ALA MB . . 3.270 3.036 2.738 3.271 0.001 14 0 "[ . 1 . 2]" 1
697 1 62 GLN QB 1 63 THR H . . 3.920 2.941 2.609 3.345 . 0 0 "[ . 1 . 2]" 1
698 1 63 THR H 1 63 THR HB . . 3.070 2.223 2.058 2.354 . 0 0 "[ . 1 . 2]" 1
699 1 63 THR H 1 63 THR MG . . 4.060 3.661 3.558 3.736 . 0 0 "[ . 1 . 2]" 1
700 1 63 THR H 1 64 LEU H . . 3.670 2.488 2.268 2.996 . 0 0 "[ . 1 . 2]" 1
701 1 63 THR H 1 64 LEU HB2 . . 5.030 4.405 3.984 4.824 . 0 0 "[ . 1 . 2]" 1
702 1 63 THR H 1 65 ALA H . . 4.920 3.863 3.507 4.529 . 0 0 "[ . 1 . 2]" 1
703 1 63 THR H 1 65 ALA MB . . 4.920 4.496 4.196 4.856 . 0 0 "[ . 1 . 2]" 1
704 1 63 THR HA 1 63 THR MG . . 3.190 2.504 2.344 2.647 . 0 0 "[ . 1 . 2]" 1
705 1 63 THR HA 1 66 HIS H . . 4.180 3.435 3.061 3.912 . 0 0 "[ . 1 . 2]" 1
706 1 63 THR HA 1 66 HIS HB3 . . 4.020 3.127 2.129 3.918 . 0 0 "[ . 1 . 2]" 1
707 1 63 THR HA 1 67 HIS HD2 . . 4.520 4.297 3.876 4.521 0.001 19 0 "[ . 1 . 2]" 1
708 1 63 THR HB 1 64 LEU H . . 3.410 2.564 2.336 2.757 . 0 0 "[ . 1 . 2]" 1
709 1 63 THR HB 1 64 LEU HG . . 4.520 3.766 3.318 4.229 . 0 0 "[ . 1 . 2]" 1
710 1 63 THR MG 1 64 LEU H . . 4.020 3.170 2.634 3.532 . 0 0 "[ . 1 . 2]" 1
711 1 63 THR MG 1 64 LEU HA . . 4.220 3.429 3.092 3.709 . 0 0 "[ . 1 . 2]" 1
712 1 63 THR MG 1 64 LEU MD2 . . 4.220 3.373 2.608 4.086 . 0 0 "[ . 1 . 2]" 1
713 1 63 THR MG 1 67 HIS HB2 . . 4.220 3.230 2.410 4.198 . 0 0 "[ . 1 . 2]" 1
714 1 63 THR MG 1 67 HIS HD2 . . 3.590 2.512 1.901 3.281 . 0 0 "[ . 1 . 2]" 1
715 1 63 THR MG 1 71 LEU HA . . 4.520 3.130 2.773 3.581 . 0 0 "[ . 1 . 2]" 1
716 1 63 THR MG 1 71 LEU MD2 . . 3.030 2.820 2.480 3.539 0.509 13 1 "[ . 1 + . 2]" 1
717 1 63 THR MG 1 72 PRO HD2 . . 3.670 3.491 3.283 3.681 0.011 14 0 "[ . 1 . 2]" 1
718 1 63 THR MG 1 72 PRO HD3 . . 3.760 2.194 1.974 2.561 . 0 0 "[ . 1 . 2]" 1
719 1 63 THR MG 1 72 PRO HG2 . . 3.880 3.602 3.125 3.891 0.011 10 0 "[ . 1 . 2]" 1
720 1 64 LEU H 1 64 LEU HB2 . . 3.400 2.371 2.136 2.591 . 0 0 "[ . 1 . 2]" 1
721 1 64 LEU H 1 64 LEU HB3 . . 3.960 3.509 3.439 3.537 . 0 0 "[ . 1 . 2]" 1
722 1 64 LEU H 1 64 LEU MD1 . . 4.050 3.610 3.389 3.830 . 0 0 "[ . 1 . 2]" 1
723 1 64 LEU H 1 64 LEU MD2 . . 4.020 3.379 2.907 3.795 . 0 0 "[ . 1 . 2]" 1
724 1 64 LEU H 1 64 LEU HG . . 3.250 2.344 1.944 2.818 . 0 0 "[ . 1 . 2]" 1
725 1 64 LEU H 1 65 ALA H . . 3.750 2.859 2.662 3.160 . 0 0 "[ . 1 . 2]" 1
726 1 64 LEU H 1 65 ALA MB . . 4.520 4.355 4.235 4.527 0.007 18 0 "[ . 1 . 2]" 1
727 1 64 LEU HA 1 64 LEU MD1 . . 4.220 3.839 3.781 3.919 . 0 0 "[ . 1 . 2]" 1
728 1 64 LEU HA 1 64 LEU MD2 . . 2.910 2.069 1.951 2.337 . 0 0 "[ . 1 . 2]" 1
729 1 64 LEU HA 1 64 LEU HG . . 3.670 2.965 2.709 3.211 . 0 0 "[ . 1 . 2]" 1
730 1 64 LEU HB2 1 64 LEU MD1 . . 3.010 2.267 2.083 2.399 . 0 0 "[ . 1 . 2]" 1
731 1 64 LEU HB2 1 64 LEU MD2 . . 3.670 3.210 3.187 3.222 . 0 0 "[ . 1 . 2]" 1
732 1 64 LEU HB2 1 65 ALA H . . 3.950 2.742 2.245 3.289 . 0 0 "[ . 1 . 2]" 1
733 1 64 LEU HB3 1 64 LEU MD2 . . 2.400 2.356 2.165 2.444 0.044 3 0 "[ . 1 . 2]" 1
734 1 64 LEU HB3 1 65 ALA H . . 4.520 3.568 3.091 4.260 . 0 0 "[ . 1 . 2]" 1
735 1 64 LEU HB3 1 69 GLY HA2 . . 4.220 3.370 2.042 4.216 . 0 0 "[ . 1 . 2]" 1
736 1 64 LEU MD2 1 69 GLY HA2 . . 4.220 2.861 1.958 4.032 . 0 0 "[ . 1 . 2]" 1
737 1 64 LEU MD2 1 70 SER H . . 4.680 3.354 2.243 4.682 0.002 15 0 "[ . 1 . 2]" 1
738 1 64 LEU MD2 1 71 LEU H . . 4.790 3.309 2.249 4.326 . 0 0 "[ . 1 . 2]" 1
739 1 64 LEU MD2 1 71 LEU HA . . 4.020 2.919 2.146 3.447 . 0 0 "[ . 1 . 2]" 1
740 1 64 LEU MD2 1 71 LEU HB2 . . 4.520 4.158 3.534 4.517 . 0 0 "[ . 1 . 2]" 1
741 1 64 LEU MD2 1 71 LEU MD2 . . 3.270 2.714 1.609 3.270 0.000 11 0 "[ . 1 . 2]" 1
742 1 64 LEU MD2 1 71 LEU HG . . 3.310 2.329 1.821 3.376 0.066 13 0 "[ . 1 . 2]" 1
743 1 64 LEU HG 1 65 ALA H . . 4.950 4.561 4.065 4.959 0.009 11 0 "[ . 1 . 2]" 1
744 1 65 ALA H 1 65 ALA MB . . 2.990 2.041 1.964 2.172 . 0 0 "[ . 1 . 2]" 1
745 1 65 ALA H 1 66 HIS H . . 3.780 2.781 2.407 3.093 . 0 0 "[ . 1 . 2]" 1
746 1 65 ALA H 1 66 HIS HB2 . . 5.220 4.766 4.165 5.251 0.031 5 0 "[ . 1 . 2]" 1
747 1 65 ALA MB 1 66 HIS H . . 3.580 2.443 2.151 2.667 . 0 0 "[ . 1 . 2]" 1
748 1 66 HIS H 1 66 HIS HB2 . . 3.130 2.210 2.001 2.533 . 0 0 "[ . 1 . 2]" 1
749 1 66 HIS H 1 66 HIS HD2 . . 5.280 4.659 4.022 5.108 . 0 0 "[ . 1 . 2]" 1
750 1 67 HIS H 1 67 HIS HB3 . . 3.610 3.499 3.190 4.072 0.462 16 0 "[ . 1 . 2]" 1
751 1 67 HIS H 1 68 GLY H . . 4.330 3.081 2.364 4.392 0.062 15 0 "[ . 1 . 2]" 1
752 1 67 HIS H 1 69 GLY H . . 5.030 4.669 3.859 5.032 0.002 17 0 "[ . 1 . 2]" 1
753 1 67 HIS HB3 1 67 HIS HD2 . . 3.760 3.732 3.524 3.913 0.153 19 0 "[ . 1 . 2]" 1
754 1 67 HIS HB3 1 68 GLY H . . 4.950 2.977 1.937 4.457 . 0 0 "[ . 1 . 2]" 1
755 1 68 GLY H 1 69 GLY H . . 4.280 2.557 1.897 3.999 . 0 0 "[ . 1 . 2]" 1
756 1 69 GLY H 1 70 SER H . . 3.940 2.666 1.892 3.687 . 0 0 "[ . 1 . 2]" 1
757 1 70 SER H 1 70 SER HB2 . . 3.800 3.215 2.074 4.012 0.212 10 0 "[ . 1 . 2]" 1
758 1 70 SER H 1 70 SER HB3 . . 4.020 3.237 2.559 3.962 . 0 0 "[ . 1 . 2]" 1
759 1 70 SER H 1 71 LEU H . . 5.030 3.382 1.856 4.634 . 0 0 "[ . 1 . 2]" 1
760 1 70 SER HA 1 71 LEU H . . 3.260 2.786 2.217 3.511 0.251 14 0 "[ . 1 . 2]" 1
761 1 70 SER HB3 1 71 LEU H . . 3.520 3.430 2.585 4.128 0.608 17 3 "[ . * 1 . +- 2]" 1
762 1 71 LEU H 1 71 LEU HB2 . . 3.280 2.617 2.078 3.312 0.032 14 0 "[ . 1 . 2]" 1
763 1 71 LEU H 1 71 LEU MD1 . . 4.350 3.861 3.107 4.330 . 0 0 "[ . 1 . 2]" 1
764 1 71 LEU H 1 71 LEU HG . . 3.750 3.110 2.696 3.758 0.008 13 0 "[ . 1 . 2]" 1
765 1 71 LEU HA 1 71 LEU MD2 . . 3.190 2.195 1.975 2.655 . 0 0 "[ . 1 . 2]" 1
766 1 71 LEU HA 1 72 PRO HD2 . . 3.310 2.795 2.656 2.884 . 0 0 "[ . 1 . 2]" 1
767 1 71 LEU HA 1 72 PRO HD3 . . 3.190 2.042 1.965 2.099 . 0 0 "[ . 1 . 2]" 1
768 1 71 LEU HB3 1 72 PRO HD2 . . 3.880 2.175 1.992 2.514 . 0 0 "[ . 1 . 2]" 1
769 1 71 LEU MD1 1 72 PRO HD2 . . 4.220 3.774 2.467 4.059 . 0 0 "[ . 1 . 2]" 1
770 1 71 LEU MD2 1 72 PRO HD2 . . 3.350 2.064 1.790 4.229 0.879 13 1 "[ . 1 + . 2]" 1
771 1 71 LEU MD2 1 72 PRO HD3 . . 3.590 2.149 1.956 3.916 0.326 13 0 "[ . 1 . 2]" 1
772 1 72 PRO HA 1 73 PRO HD3 . . 2.970 1.963 1.935 2.025 . 0 0 "[ . 1 . 2]" 1
773 1 72 PRO HB2 1 73 PRO HD2 . . 3.760 3.288 2.602 3.894 0.134 7 0 "[ . 1 . 2]" 1
774 1 72 PRO HB2 1 74 ASP H . . 4.250 2.755 2.277 3.034 . 0 0 "[ . 1 . 2]" 1
775 1 72 PRO HB2 1 75 LEU QD . . 4.220 3.338 2.146 3.729 . 0 0 "[ . 1 . 2]" 1
776 1 72 PRO HB3 1 73 PRO HD2 . . 3.880 3.424 3.013 3.840 . 0 0 "[ . 1 . 2]" 1
777 1 72 PRO HB3 1 74 ASP H . . 3.950 3.978 3.825 4.268 0.318 13 0 "[ . 1 . 2]" 1
778 1 72 PRO HB3 1 75 LEU QD . . 4.520 3.959 3.390 4.266 . 0 0 "[ . 1 . 2]" 1
779 1 72 PRO HD2 1 75 LEU QD . . 3.400 3.001 2.148 3.386 . 0 0 "[ . 1 . 2]" 1
780 1 72 PRO HG2 1 75 LEU H . . 4.950 3.958 3.212 4.975 0.025 14 0 "[ . 1 . 2]" 1
781 1 72 PRO HG2 1 75 LEU HA . . 5.070 4.414 3.248 5.440 0.370 17 0 "[ . 1 . 2]" 1
782 1 72 PRO HG2 1 75 LEU QD . . 3.670 2.003 1.840 2.290 . 0 0 "[ . 1 . 2]" 1
783 1 73 PRO HB2 1 74 ASP H . . 4.020 3.667 3.281 3.918 . 0 0 "[ . 1 . 2]" 1
784 1 73 PRO HD2 1 74 ASP H . . 4.220 2.371 2.256 2.566 . 0 0 "[ . 1 . 2]" 1
785 1 73 PRO HG2 1 74 ASP H . . 4.020 3.305 2.815 3.675 . 0 0 "[ . 1 . 2]" 1
786 1 74 ASP H 1 74 ASP HB2 . . 3.520 2.995 2.029 3.980 0.460 19 0 "[ . 1 . 2]" 1
787 1 74 ASP H 1 75 LEU H . . 3.760 3.224 2.421 3.835 0.075 19 0 "[ . 1 . 2]" 1
788 1 74 ASP HA 1 74 ASP HB3 . . 2.950 2.665 2.265 3.041 0.091 7 0 "[ . 1 . 2]" 1
789 1 74 ASP HA 1 76 GLN H . . 4.850 4.330 3.661 4.936 0.086 8 0 "[ . 1 . 2]" 1
790 1 74 ASP HB2 1 75 LEU H . . 4.220 4.123 1.948 4.708 0.488 4 0 "[ . 1 . 2]" 1
791 1 75 LEU H 1 75 LEU HB3 . . 3.100 2.558 1.980 3.169 0.069 4 0 "[ . 1 . 2]" 1
792 1 75 LEU H 1 75 LEU QD . . 4.430 3.067 1.710 3.763 . 0 0 "[ . 1 . 2]" 1
793 1 75 LEU H 1 75 LEU HG . . 3.880 3.453 1.812 4.158 0.278 16 0 "[ . 1 . 2]" 1
794 1 75 LEU H 1 76 GLN H . . 3.800 2.442 1.839 3.621 . 0 0 "[ . 1 . 2]" 1
795 1 75 LEU HA 1 75 LEU HB3 . . 2.830 2.731 2.205 3.011 0.181 16 0 "[ . 1 . 2]" 1
796 1 75 LEU HA 1 75 LEU QD . . 3.400 2.929 2.529 3.323 . 0 0 "[ . 1 . 2]" 1
797 1 75 LEU HA 1 75 LEU HG . . 4.020 3.479 2.455 4.258 0.238 4 0 "[ . 1 . 2]" 1
798 1 75 LEU HB2 1 75 LEU QD . . 3.050 2.114 1.993 2.267 . 0 0 "[ . 1 . 2]" 1
799 1 75 LEU HB3 1 75 LEU QD . . 2.800 2.177 2.048 2.332 . 0 0 "[ . 1 . 2]" 1
800 1 75 LEU HB3 1 76 GLN H . . 4.220 3.175 1.759 4.008 . 0 0 "[ . 1 . 2]" 1
801 1 75 LEU QD 1 76 GLN H . . 4.230 2.618 1.660 3.525 . 0 0 "[ . 1 . 2]" 1
802 1 75 LEU QD 1 76 GLN HA . . 4.220 3.464 2.289 4.122 . 0 0 "[ . 1 . 2]" 1
803 1 75 LEU QD 1 76 GLN HB3 . . 3.880 3.631 1.969 4.782 0.902 9 4 "[ * +1* - 2]" 1
804 1 75 LEU HG 1 76 GLN H . . 4.020 2.738 1.940 4.223 0.203 16 0 "[ . 1 . 2]" 1
805 1 76 GLN H 1 76 GLN HB2 . . 4.020 2.837 2.100 3.899 . 0 0 "[ . 1 . 2]" 1
806 1 76 GLN H 1 76 GLN HB3 . . 3.880 3.181 2.400 3.764 . 0 0 "[ . 1 . 2]" 1
807 1 76 GLN H 1 76 GLN HG2 . . 4.520 3.537 1.977 4.281 . 0 0 "[ . 1 . 2]" 1
808 1 76 GLN H 1 76 GLN HG3 . . 4.260 3.912 2.096 4.504 0.244 1 0 "[ . 1 . 2]" 1
809 1 76 GLN H 1 77 PHE H . . 4.410 3.989 1.876 4.413 0.003 19 0 "[ . 1 . 2]" 1
810 1 76 GLN HA 1 76 GLN HG2 . . 3.760 2.699 1.975 4.268 0.508 7 1 "[ . + 1 . 2]" 1
811 1 76 GLN HA 1 77 PHE H . . 3.410 2.376 2.202 3.483 0.073 16 0 "[ . 1 . 2]" 1
812 1 76 GLN HB2 1 77 PHE H . . 4.310 4.293 3.530 4.746 0.436 20 0 "[ . 1 . 2]" 1
813 1 76 GLN HB3 1 76 GLN HG2 . . 3.030 2.784 2.272 3.028 . 0 0 "[ . 1 . 2]" 1
814 1 77 PHE H 1 77 PHE HB2 . . 4.020 2.488 1.940 3.605 . 0 0 "[ . 1 . 2]" 1
815 1 77 PHE H 1 77 PHE HB3 . . 3.820 3.199 2.042 3.927 0.107 3 0 "[ . 1 . 2]" 1
816 1 77 PHE H 1 77 PHE QD . . 4.730 3.295 2.016 4.290 . 0 0 "[ . 1 . 2]" 1
817 1 77 PHE HB2 1 78 SER H . . 4.850 4.104 2.053 4.730 . 0 0 "[ . 1 . 2]" 1
818 1 77 PHE HB3 1 78 SER H . . 5.120 3.757 2.273 4.491 . 0 0 "[ . 1 . 2]" 1
819 1 78 SER H 1 79 GLY H . . 4.880 3.908 2.296 4.649 . 0 0 "[ . 1 . 2]" 1
820 1 78 SER HB3 1 79 GLY H . . 4.880 3.518 2.171 4.468 . 0 0 "[ . 1 . 2]" 1
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