NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
465564 |
2kk2   |
16350 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kk2
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 825
_Distance_constraint_stats_list.Viol_count 1945
_Distance_constraint_stats_list.Viol_total 3146.171
_Distance_constraint_stats_list.Viol_max 0.952
_Distance_constraint_stats_list.Viol_rms 0.0434
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0809
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 TYR 3.263 0.121 7 0 "[ . 1 . 2]"
1 2 ASN 10.183 0.899 20 5 "[* -. **1 . +]"
1 3 PRO 4.019 0.085 10 0 "[ . 1 . 2]"
1 4 GLU 4.608 0.899 20 1 "[ . 1 . +]"
1 5 ASP 1.298 0.585 20 1 "[ . 1 . +]"
1 6 ASP 2.133 0.105 17 0 "[ . 1 . 2]"
1 7 TYR 8.034 0.757 13 1 "[ . 1 + . 2]"
1 8 THR 5.377 0.115 10 0 "[ . 1 . 2]"
1 9 PRO 3.463 0.085 19 0 "[ . 1 . 2]"
1 10 LEU 3.417 0.108 8 0 "[ . 1 . 2]"
1 11 THR 1.804 0.147 19 0 "[ . 1 . 2]"
1 12 CYS 2.083 0.104 3 0 "[ . 1 . 2]"
1 13 PRO 2.871 0.090 19 0 "[ . 1 . 2]"
1 14 HIS 6.664 0.781 3 3 "[ + . -1 . * 2]"
1 15 THR 2.447 0.117 18 0 "[ . 1 . 2]"
1 16 ILE 9.553 0.802 13 1 "[ . 1 + . 2]"
1 17 SER 8.572 0.802 13 1 "[ . 1 + . 2]"
1 18 VAL 7.517 0.743 9 1 "[ . +1 . 2]"
1 19 VAL 10.017 0.798 6 2 "[ - .+ 1 . 2]"
1 20 TRP 5.673 0.173 3 0 "[ . 1 . 2]"
1 21 TYR 3.984 0.122 9 0 "[ . 1 . 2]"
1 22 GLU 16.390 0.798 6 4 "[ * .+ *1 . - 2]"
1 23 CYS 5.534 0.189 18 0 "[ . 1 . 2]"
1 24 THR 6.680 0.105 10 0 "[ . 1 . 2]"
1 25 GLU 5.151 0.326 14 0 "[ . 1 . 2]"
1 26 ASN 6.901 0.774 17 2 "[ .- 1 . + 2]"
1 27 THR 5.692 0.730 14 5 "[ * ** 1 -+. 2]"
1 28 ALA 0.433 0.093 10 0 "[ . 1 . 2]"
1 29 ASN 9.859 0.774 17 6 "[* * .- 1 * +* 2]"
1 30 CYS 2.475 0.111 2 0 "[ . 1 . 2]"
1 31 GLY 2.025 0.090 5 0 "[ . 1 . 2]"
1 32 THR 3.714 0.525 19 1 "[ . 1 . +2]"
1 33 ALA 5.743 0.749 19 4 "[ . * 1- .* +2]"
1 34 CYS 0.545 0.084 9 0 "[ . 1 . 2]"
1 35 CYS 3.647 0.952 19 1 "[ . 1 . +2]"
1 36 ASP 7.271 0.682 7 3 "[ . + 1- .* 2]"
1 37 SER 3.981 0.475 6 0 "[ . 1 . 2]"
1 38 CYS 2.471 0.104 3 0 "[ . 1 . 2]"
1 39 PHE 4.897 0.098 17 0 "[ . 1 . 2]"
1 40 GLU 10.149 0.115 10 0 "[ . 1 . 2]"
1 41 LEU 1.692 0.078 20 0 "[ . 1 . 2]"
1 42 THR 1.569 0.115 14 0 "[ . 1 . 2]"
1 43 GLY 0.308 0.098 17 0 "[ . 1 . 2]"
1 44 ASN 5.416 0.088 12 0 "[ . 1 . 2]"
1 45 THR 3.816 0.114 15 0 "[ . 1 . 2]"
1 46 MET 5.199 0.122 16 0 "[ . 1 . 2]"
1 47 CYS 2.232 0.086 19 0 "[ . 1 . 2]"
1 48 LEU 10.878 0.952 19 1 "[ . 1 . +2]"
1 49 LEU 5.453 0.122 16 0 "[ . 1 . 2]"
1 50 GLN 4.588 0.107 19 0 "[ . 1 . 2]"
1 51 ALA 2.734 0.111 2 0 "[ . 1 . 2]"
1 52 GLY 0.273 0.092 10 0 "[ . 1 . 2]"
1 53 ALA 1.823 0.119 11 0 "[ . 1 . 2]"
1 54 ALA 3.661 0.119 11 0 "[ . 1 . 2]"
1 55 GLY 1.594 0.090 12 0 "[ . 1 . 2]"
1 56 SER 2.311 0.388 2 0 "[ . 1 . 2]"
1 57 GLY 6.414 0.730 14 6 "[ * *** 1 -+. 2]"
1 58 CYS 1.673 0.657 7 1 "[ . + 1 . 2]"
1 59 ASP 1.169 0.104 14 0 "[ . 1 . 2]"
1 60 MET 5.171 0.419 19 0 "[ . 1 . 2]"
1 61 GLU 1.882 0.116 15 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 1 TYR HA 1 1 TYR QD . . 3.480 2.572 2.268 2.989 . 0 0 "[ . 1 . 2]" 1
2 1 1 TYR HB2 1 2 ASN H . . 4.600 3.974 3.421 4.530 . 0 0 "[ . 1 . 2]" 1
3 1 1 TYR HB3 1 42 THR MG . . 4.480 4.007 3.113 4.595 0.115 14 0 "[ . 1 . 2]" 1
4 1 1 TYR QD 1 2 ASN H . . 4.100 3.125 2.246 4.043 . 0 0 "[ . 1 . 2]" 1
5 1 1 TYR QD 1 3 PRO HA . . 4.000 3.758 2.963 4.085 0.085 10 0 "[ . 1 . 2]" 1
6 1 1 TYR QD 1 3 PRO HD3 . . 4.440 3.536 2.691 3.960 . 0 0 "[ . 1 . 2]" 1
7 1 1 TYR QD 1 5 ASP QB . . 4.660 3.875 3.180 4.505 . 0 0 "[ . 1 . 2]" 1
8 1 1 TYR QD 1 42 THR MG . . 4.090 2.930 2.575 3.454 . 0 0 "[ . 1 . 2]" 1
9 1 1 TYR QD 1 46 MET HB2 . . 4.040 4.057 3.590 4.156 0.116 14 0 "[ . 1 . 2]" 1
10 1 1 TYR QD 1 46 MET QG . . 5.090 2.816 2.147 3.948 . 0 0 "[ . 1 . 2]" 1
11 1 1 TYR QE 1 3 PRO HA . . 3.390 2.297 2.089 2.767 . 0 0 "[ . 1 . 2]" 1
12 1 1 TYR QE 1 3 PRO HD3 . . 5.010 4.037 2.568 5.077 0.067 15 0 "[ . 1 . 2]" 1
13 1 1 TYR QE 1 3 PRO HG3 . . 4.950 4.745 3.528 5.035 0.085 19 0 "[ . 1 . 2]" 1
14 1 1 TYR QE 1 5 ASP QB . . 4.110 2.703 2.227 3.648 . 0 0 "[ . 1 . 2]" 1
15 1 1 TYR QE 1 42 THR MG . . 3.750 2.877 2.439 3.787 0.037 20 0 "[ . 1 . 2]" 1
16 1 1 TYR QE 1 43 GLY H . . 4.460 3.433 2.764 3.813 . 0 0 "[ . 1 . 2]" 1
17 1 1 TYR QE 1 43 GLY HA2 . . 4.890 2.227 2.048 2.961 . 0 0 "[ . 1 . 2]" 1
18 1 1 TYR QE 1 46 MET HB2 . . 4.340 3.495 2.028 4.461 0.121 7 0 "[ . 1 . 2]" 1
19 1 1 TYR QE 1 46 MET QG . . 4.200 3.039 2.240 4.188 . 0 0 "[ . 1 . 2]" 1
20 1 2 ASN H 1 2 ASN HB2 . . 3.510 3.057 2.199 3.607 0.097 13 0 "[ . 1 . 2]" 1
21 1 2 ASN H 1 2 ASN HB3 . . 4.080 3.756 2.288 4.145 0.065 2 0 "[ . 1 . 2]" 1
22 1 2 ASN HB2 1 2 ASN HD22 . . 3.490 3.796 3.496 4.059 0.569 8 4 "[* -. +*1 . 2]" 1
23 1 2 ASN HB2 1 4 GLU H . . 4.590 4.167 3.364 4.648 0.058 12 0 "[ . 1 . 2]" 1
24 1 2 ASN HB2 1 5 ASP H . . 4.300 4.103 3.041 4.885 0.585 20 1 "[ . 1 . +]" 1
25 1 2 ASN HB3 1 2 ASN HD22 . . 4.070 3.601 3.432 4.007 . 0 0 "[ . 1 . 2]" 1
26 1 2 ASN HB3 1 4 GLU H . . 3.920 2.915 2.326 4.493 0.573 20 1 "[ . 1 . +]" 1
27 1 2 ASN HB3 1 4 GLU HB2 . . 3.480 2.877 2.249 4.379 0.899 20 1 "[ . 1 . +]" 1
28 1 2 ASN HD21 1 4 GLU HB2 . . 4.590 3.296 1.941 4.659 0.069 15 0 "[ . 1 . 2]" 1
29 1 3 PRO HA 1 5 ASP H . . 4.280 3.498 3.222 3.826 . 0 0 "[ . 1 . 2]" 1
30 1 3 PRO HA 1 6 ASP H . . 4.500 3.678 3.320 4.129 . 0 0 "[ . 1 . 2]" 1
31 1 3 PRO HA 1 6 ASP QB . . 4.780 3.985 3.659 4.509 . 0 0 "[ . 1 . 2]" 1
32 1 3 PRO HA 1 43 GLY HA2 . . 3.660 2.259 2.025 2.911 . 0 0 "[ . 1 . 2]" 1
33 1 3 PRO HB2 1 20 TRP HE3 . . 3.990 3.447 2.979 3.728 . 0 0 "[ . 1 . 2]" 1
34 1 3 PRO HB2 1 20 TRP HZ3 . . 3.810 3.231 2.855 3.637 . 0 0 "[ . 1 . 2]" 1
35 1 3 PRO HB2 1 43 GLY HA2 . . 4.250 3.494 2.979 4.315 0.065 17 0 "[ . 1 . 2]" 1
36 1 3 PRO HB3 1 20 TRP HE3 . . 4.400 4.292 3.655 4.477 0.077 3 0 "[ . 1 . 2]" 1
37 1 3 PRO HB3 1 20 TRP HH2 . . 4.950 4.490 3.989 4.998 0.048 12 0 "[ . 1 . 2]" 1
38 1 3 PRO HB3 1 20 TRP HZ3 . . 3.850 3.016 2.683 3.281 . 0 0 "[ . 1 . 2]" 1
39 1 3 PRO HB3 1 43 GLY HA2 . . 3.660 2.377 2.092 2.859 . 0 0 "[ . 1 . 2]" 1
40 1 3 PRO HB3 1 43 GLY HA3 . . 4.220 3.500 3.087 4.212 . 0 0 "[ . 1 . 2]" 1
41 1 3 PRO HD2 1 4 GLU H . . 3.940 2.889 2.650 3.159 . 0 0 "[ . 1 . 2]" 1
42 1 3 PRO HD3 1 4 GLU QG . . 5.500 5.340 4.966 5.415 . 0 0 "[ . 1 . 2]" 1
43 1 3 PRO HD3 1 46 MET HB2 . . 3.750 3.749 3.187 3.830 0.080 15 0 "[ . 1 . 2]" 1
44 1 3 PRO HG2 1 20 TRP HE3 . . 4.780 2.916 2.498 3.295 . 0 0 "[ . 1 . 2]" 1
45 1 3 PRO HG2 1 20 TRP HH2 . . 4.770 4.526 3.303 4.842 0.072 10 0 "[ . 1 . 2]" 1
46 1 3 PRO HG2 1 20 TRP HZ3 . . 4.580 3.233 2.629 3.505 . 0 0 "[ . 1 . 2]" 1
47 1 3 PRO HG3 1 20 TRP HE3 . . 5.500 3.460 3.103 4.382 . 0 0 "[ . 1 . 2]" 1
48 1 3 PRO HG3 1 20 TRP HZ3 . . 4.790 2.496 2.259 3.051 . 0 0 "[ . 1 . 2]" 1
49 1 3 PRO HG3 1 46 MET HB2 . . 3.480 3.044 2.171 3.545 0.065 18 0 "[ . 1 . 2]" 1
50 1 3 PRO HG3 1 46 MET HB3 . . 5.040 3.122 2.448 4.421 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLU H 1 4 GLU HB2 . . 3.180 2.360 2.150 2.698 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLU H 1 4 GLU HB3 . . 3.520 3.520 3.413 3.591 0.071 6 0 "[ . 1 . 2]" 1
53 1 4 GLU H 1 4 GLU QG . . 3.790 2.270 2.005 2.441 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLU H 1 5 ASP H . . 3.310 2.879 2.719 3.204 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU H 1 19 VAL MG1 . . 5.430 5.379 5.159 5.521 0.091 9 0 "[ . 1 . 2]" 1
56 1 4 GLU H 1 39 PHE QE . . 4.620 3.624 3.362 4.261 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU HA 1 4 GLU QG . . 3.440 2.519 2.297 3.212 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLU HA 1 6 ASP H . . 4.110 3.679 3.336 3.938 . 0 0 "[ . 1 . 2]" 1
59 1 4 GLU HA 1 7 TYR H . . 3.700 3.107 2.798 3.371 . 0 0 "[ . 1 . 2]" 1
60 1 4 GLU HA 1 7 TYR HA . . 4.030 3.996 3.609 4.107 0.077 20 0 "[ . 1 . 2]" 1
61 1 4 GLU HA 1 7 TYR HB2 . . 3.460 2.140 1.966 2.321 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLU HA 1 19 VAL MG1 . . 4.350 4.191 3.898 4.409 0.059 3 0 "[ . 1 . 2]" 1
63 1 4 GLU HA 1 39 PHE QD . . 4.530 3.801 3.461 4.280 . 0 0 "[ . 1 . 2]" 1
64 1 4 GLU HA 1 39 PHE QE . . 3.000 2.534 2.292 3.089 0.089 15 0 "[ . 1 . 2]" 1
65 1 4 GLU HB2 1 5 ASP H . . 4.230 3.398 3.131 3.764 . 0 0 "[ . 1 . 2]" 1
66 1 4 GLU HB2 1 16 ILE MD . . 4.190 3.721 3.493 4.008 . 0 0 "[ . 1 . 2]" 1
67 1 4 GLU HB2 1 16 ILE HG13 . . 4.970 4.960 4.580 5.321 0.351 13 0 "[ . 1 . 2]" 1
68 1 4 GLU HB3 1 5 ASP H . . 4.620 4.148 3.961 4.421 . 0 0 "[ . 1 . 2]" 1
69 1 4 GLU HB3 1 7 TYR HB2 . . 4.520 3.952 3.292 4.277 . 0 0 "[ . 1 . 2]" 1
70 1 4 GLU HB3 1 16 ILE MD . . 3.530 2.231 2.136 2.793 . 0 0 "[ . 1 . 2]" 1
71 1 4 GLU HB3 1 16 ILE HG13 . . 4.140 3.526 3.018 4.122 . 0 0 "[ . 1 . 2]" 1
72 1 4 GLU QG 1 16 ILE MD . . 4.840 2.991 2.069 3.938 . 0 0 "[ . 1 . 2]" 1
73 1 4 GLU QG 1 16 ILE HG12 . . 4.210 3.039 2.463 3.532 . 0 0 "[ . 1 . 2]" 1
74 1 4 GLU QG 1 16 ILE HG13 . . 4.880 2.723 2.243 4.259 . 0 0 "[ . 1 . 2]" 1
75 1 4 GLU QG 1 19 VAL MG1 . . 4.040 3.119 2.621 3.727 . 0 0 "[ . 1 . 2]" 1
76 1 4 GLU QG 1 20 TRP HB2 . . 4.990 3.955 3.425 4.750 . 0 0 "[ . 1 . 2]" 1
77 1 4 GLU QG 1 39 PHE QE . . 4.220 3.060 2.457 3.934 . 0 0 "[ . 1 . 2]" 1
78 1 4 GLU QG 1 39 PHE HZ . . 5.090 3.836 3.170 4.484 . 0 0 "[ . 1 . 2]" 1
79 1 5 ASP H 1 5 ASP QB . . 3.170 2.170 2.071 2.410 . 0 0 "[ . 1 . 2]" 1
80 1 5 ASP H 1 6 ASP H . . 3.280 2.578 2.248 2.895 . 0 0 "[ . 1 . 2]" 1
81 1 5 ASP H 1 7 TYR H . . 4.620 4.051 3.533 4.469 . 0 0 "[ . 1 . 2]" 1
82 1 5 ASP HA 1 7 TYR H . . 4.460 4.030 3.749 4.282 . 0 0 "[ . 1 . 2]" 1
83 1 5 ASP QB 1 6 ASP H . . 4.040 2.962 2.598 3.219 . 0 0 "[ . 1 . 2]" 1
84 1 6 ASP H 1 6 ASP QB . . 3.350 2.545 2.343 2.768 . 0 0 "[ . 1 . 2]" 1
85 1 6 ASP H 1 7 TYR H . . 3.120 2.387 2.119 2.541 . 0 0 "[ . 1 . 2]" 1
86 1 6 ASP H 1 7 TYR HB3 . . 4.720 4.416 4.048 4.757 0.037 3 0 "[ . 1 . 2]" 1
87 1 6 ASP H 1 39 PHE QD . . 4.700 3.843 3.574 4.605 . 0 0 "[ . 1 . 2]" 1
88 1 6 ASP HA 1 40 GLU H . . 4.590 4.250 4.004 4.661 0.071 15 0 "[ . 1 . 2]" 1
89 1 6 ASP HA 1 40 GLU HB2 . . 4.510 4.354 4.132 4.578 0.068 8 0 "[ . 1 . 2]" 1
90 1 6 ASP HA 1 40 GLU QG . . 4.720 4.813 4.799 4.825 0.105 17 0 "[ . 1 . 2]" 1
91 1 6 ASP QB 1 39 PHE QD . . 4.300 3.698 3.233 3.997 . 0 0 "[ . 1 . 2]" 1
92 1 6 ASP QB 1 40 GLU H . . 3.260 2.228 1.909 2.462 . 0 0 "[ . 1 . 2]" 1
93 1 6 ASP QB 1 40 GLU HA . . 4.710 4.305 4.080 4.614 . 0 0 "[ . 1 . 2]" 1
94 1 6 ASP QB 1 40 GLU HB2 . . 3.650 2.635 2.394 2.851 . 0 0 "[ . 1 . 2]" 1
95 1 6 ASP QB 1 40 GLU QG . . 3.880 3.653 3.432 3.815 . 0 0 "[ . 1 . 2]" 1
96 1 6 ASP QB 1 41 LEU HB2 . . 5.170 3.483 3.144 3.969 . 0 0 "[ . 1 . 2]" 1
97 1 6 ASP QB 1 43 GLY H . . 3.760 2.744 2.482 3.449 . 0 0 "[ . 1 . 2]" 1
98 1 6 ASP QB 1 43 GLY HA2 . . 4.080 3.720 3.026 4.011 . 0 0 "[ . 1 . 2]" 1
99 1 7 TYR H 1 7 TYR HB2 . . 3.010 2.748 2.516 2.951 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR H 1 7 TYR HB3 . . 2.910 2.243 2.068 2.402 . 0 0 "[ . 1 . 2]" 1
101 1 7 TYR H 1 8 THR H . . 4.780 4.574 4.399 4.646 . 0 0 "[ . 1 . 2]" 1
102 1 7 TYR H 1 8 THR HA . . 5.340 5.384 5.245 5.436 0.096 15 0 "[ . 1 . 2]" 1
103 1 7 TYR H 1 16 ILE MD . . 4.980 4.860 4.251 5.068 0.088 10 0 "[ . 1 . 2]" 1
104 1 7 TYR HA 1 7 TYR QD . . 3.280 2.628 2.399 2.906 . 0 0 "[ . 1 . 2]" 1
105 1 7 TYR HA 1 8 THR H . . 2.790 2.228 2.128 2.286 . 0 0 "[ . 1 . 2]" 1
106 1 7 TYR HA 1 39 PHE HA . . 3.410 2.797 2.453 3.396 . 0 0 "[ . 1 . 2]" 1
107 1 7 TYR HA 1 39 PHE QD . . 4.020 2.717 2.340 3.927 . 0 0 "[ . 1 . 2]" 1
108 1 7 TYR HA 1 39 PHE QE . . 4.400 3.633 3.115 4.467 0.067 15 0 "[ . 1 . 2]" 1
109 1 7 TYR HB2 1 8 THR H . . 4.560 4.160 3.949 4.357 . 0 0 "[ . 1 . 2]" 1
110 1 7 TYR HB2 1 39 PHE QD . . 4.920 3.493 3.054 4.190 . 0 0 "[ . 1 . 2]" 1
111 1 7 TYR HB2 1 39 PHE QE . . 4.260 2.768 2.385 3.464 . 0 0 "[ . 1 . 2]" 1
112 1 7 TYR HB3 1 16 ILE MD . . 3.980 3.282 2.632 3.571 . 0 0 "[ . 1 . 2]" 1
113 1 7 TYR HB3 1 16 ILE HG13 . . 4.890 4.194 3.369 5.595 0.705 13 1 "[ . 1 + . 2]" 1
114 1 7 TYR QD 1 7 TYR HH . . 4.640 4.325 4.282 4.414 . 0 0 "[ . 1 . 2]" 1
115 1 7 TYR QD 1 8 THR MG . . 5.500 5.017 4.745 5.388 . 0 0 "[ . 1 . 2]" 1
116 1 7 TYR QD 1 9 PRO HB3 . . 4.520 4.157 3.926 4.431 . 0 0 "[ . 1 . 2]" 1
117 1 7 TYR QD 1 9 PRO HD2 . . 4.580 4.309 4.041 4.647 0.067 15 0 "[ . 1 . 2]" 1
118 1 7 TYR QD 1 9 PRO HD3 . . 3.670 2.785 2.500 3.033 . 0 0 "[ . 1 . 2]" 1
119 1 7 TYR QD 1 9 PRO HG3 . . 4.390 3.741 3.168 4.460 0.070 9 0 "[ . 1 . 2]" 1
120 1 7 TYR QD 1 16 ILE HB . . 4.000 3.539 3.143 4.067 0.067 3 0 "[ . 1 . 2]" 1
121 1 7 TYR QD 1 16 ILE MD . . 3.450 2.516 2.332 2.944 . 0 0 "[ . 1 . 2]" 1
122 1 7 TYR QD 1 16 ILE HG13 . . 4.210 3.648 3.046 4.967 0.757 13 1 "[ . 1 + . 2]" 1
123 1 7 TYR QD 1 16 ILE MG . . 4.950 4.518 4.146 4.813 . 0 0 "[ . 1 . 2]" 1
124 1 7 TYR QD 1 19 VAL HB . . 4.710 4.181 3.917 4.754 0.044 14 0 "[ . 1 . 2]" 1
125 1 7 TYR QD 1 19 VAL MG1 . . 3.370 2.811 2.408 3.347 . 0 0 "[ . 1 . 2]" 1
126 1 7 TYR QD 1 19 VAL MG2 . . 3.430 2.386 2.198 3.119 . 0 0 "[ . 1 . 2]" 1
127 1 7 TYR QD 1 38 CYS HA . . 4.540 4.225 3.873 4.633 0.093 7 0 "[ . 1 . 2]" 1
128 1 7 TYR QD 1 38 CYS HB2 . . 5.040 4.933 4.591 5.144 0.104 3 0 "[ . 1 . 2]" 1
129 1 7 TYR QD 1 38 CYS HB3 . . 4.140 3.316 3.047 3.812 . 0 0 "[ . 1 . 2]" 1
130 1 7 TYR QE 1 7 TYR HH . . 3.050 2.301 2.231 2.645 . 0 0 "[ . 1 . 2]" 1
131 1 7 TYR QE 1 9 PRO HA . . 3.700 3.445 3.113 3.751 0.051 19 0 "[ . 1 . 2]" 1
132 1 7 TYR QE 1 9 PRO HB2 . . 4.040 4.067 3.843 4.125 0.085 19 0 "[ . 1 . 2]" 1
133 1 7 TYR QE 1 9 PRO HB3 . . 3.280 2.473 2.273 2.818 . 0 0 "[ . 1 . 2]" 1
134 1 7 TYR QE 1 9 PRO HD3 . . 4.500 3.193 2.947 3.530 . 0 0 "[ . 1 . 2]" 1
135 1 7 TYR QE 1 9 PRO HG3 . . 4.200 3.025 2.242 3.534 . 0 0 "[ . 1 . 2]" 1
136 1 7 TYR QE 1 12 CYS HB2 . . 4.320 3.622 3.182 4.401 0.081 7 0 "[ . 1 . 2]" 1
137 1 7 TYR QE 1 12 CYS HB3 . . 3.810 2.967 2.527 3.914 0.104 3 0 "[ . 1 . 2]" 1
138 1 7 TYR QE 1 15 THR HA . . 4.310 4.068 3.732 4.355 0.045 3 0 "[ . 1 . 2]" 1
139 1 7 TYR QE 1 16 ILE H . . 3.920 3.509 3.171 3.805 . 0 0 "[ . 1 . 2]" 1
140 1 7 TYR QE 1 16 ILE HA . . 3.930 3.703 3.120 4.005 0.075 14 0 "[ . 1 . 2]" 1
141 1 7 TYR QE 1 16 ILE HB . . 3.340 2.663 2.352 3.048 . 0 0 "[ . 1 . 2]" 1
142 1 7 TYR QE 1 16 ILE MD . . 4.440 3.272 2.968 3.544 . 0 0 "[ . 1 . 2]" 1
143 1 7 TYR QE 1 16 ILE HG13 . . 4.920 4.095 3.524 5.146 0.226 13 0 "[ . 1 . 2]" 1
144 1 7 TYR QE 1 16 ILE MG . . 4.580 3.822 3.386 4.151 . 0 0 "[ . 1 . 2]" 1
145 1 7 TYR QE 1 19 VAL HB . . 3.680 2.989 2.690 3.623 . 0 0 "[ . 1 . 2]" 1
146 1 7 TYR QE 1 19 VAL MG1 . . 3.780 3.002 2.268 3.386 . 0 0 "[ . 1 . 2]" 1
147 1 7 TYR QE 1 19 VAL MG2 . . 3.390 2.344 2.101 2.652 . 0 0 "[ . 1 . 2]" 1
148 1 7 TYR QE 1 38 CYS HB3 . . 4.520 3.834 3.406 4.229 . 0 0 "[ . 1 . 2]" 1
149 1 7 TYR HH 1 9 PRO HA . . 4.480 3.355 2.923 4.318 . 0 0 "[ . 1 . 2]" 1
150 1 7 TYR HH 1 12 CYS HB3 . . 4.470 3.419 2.832 4.545 0.075 2 0 "[ . 1 . 2]" 1
151 1 7 TYR HH 1 15 THR HA . . 2.980 2.521 2.288 2.755 . 0 0 "[ . 1 . 2]" 1
152 1 7 TYR HH 1 15 THR HB . . 4.860 4.796 4.235 4.928 0.068 11 0 "[ . 1 . 2]" 1
153 1 7 TYR HH 1 16 ILE H . . 3.790 3.274 2.289 3.546 . 0 0 "[ . 1 . 2]" 1
154 1 7 TYR HH 1 16 ILE HA . . 4.530 4.174 3.766 4.599 0.069 7 0 "[ . 1 . 2]" 1
155 1 7 TYR HH 1 16 ILE HB . . 4.350 4.122 2.725 4.422 0.072 16 0 "[ . 1 . 2]" 1
156 1 7 TYR HH 1 19 VAL HB . . 4.880 4.040 3.602 4.958 0.078 4 0 "[ . 1 . 2]" 1
157 1 7 TYR HH 1 19 VAL MG1 . . 5.440 4.302 3.987 4.820 . 0 0 "[ . 1 . 2]" 1
158 1 7 TYR HH 1 19 VAL MG2 . . 5.400 4.259 3.646 5.267 . 0 0 "[ . 1 . 2]" 1
159 1 8 THR H 1 8 THR HB . . 4.020 3.664 3.494 3.910 . 0 0 "[ . 1 . 2]" 1
160 1 8 THR H 1 8 THR MG . . 3.440 2.856 2.488 3.075 . 0 0 "[ . 1 . 2]" 1
161 1 8 THR H 1 39 PHE HA . . 3.750 3.343 3.018 3.635 . 0 0 "[ . 1 . 2]" 1
162 1 8 THR HA 1 8 THR HB . . 2.970 2.490 2.168 2.619 . 0 0 "[ . 1 . 2]" 1
163 1 8 THR HA 1 8 THR MG . . 3.220 2.282 2.143 2.815 . 0 0 "[ . 1 . 2]" 1
164 1 8 THR HA 1 9 PRO HD2 . . 2.770 2.162 2.077 2.268 . 0 0 "[ . 1 . 2]" 1
165 1 8 THR HA 1 9 PRO HD3 . . 3.170 2.835 2.389 3.075 . 0 0 "[ . 1 . 2]" 1
166 1 8 THR HA 1 9 PRO HG2 . . 4.390 4.333 4.223 4.449 0.059 3 0 "[ . 1 . 2]" 1
167 1 8 THR HA 1 10 LEU H . . 4.360 3.572 3.378 4.025 . 0 0 "[ . 1 . 2]" 1
168 1 8 THR HB 1 10 LEU H . . 4.420 3.752 3.136 4.137 . 0 0 "[ . 1 . 2]" 1
169 1 8 THR HB 1 11 THR H . . 4.460 3.515 2.893 4.401 . 0 0 "[ . 1 . 2]" 1
170 1 8 THR MG 1 9 PRO HD3 . . 5.050 4.589 4.302 4.766 . 0 0 "[ . 1 . 2]" 1
171 1 8 THR MG 1 39 PHE HA . . 3.510 3.404 2.940 3.602 0.092 8 0 "[ . 1 . 2]" 1
172 1 8 THR MG 1 40 GLU H . . 3.910 3.496 3.112 3.978 0.068 15 0 "[ . 1 . 2]" 1
173 1 8 THR MG 1 40 GLU HB2 . . 3.430 3.482 3.277 3.542 0.112 15 0 "[ . 1 . 2]" 1
174 1 8 THR MG 1 40 GLU HB3 . . 4.140 4.234 4.162 4.255 0.115 10 0 "[ . 1 . 2]" 1
175 1 8 THR MG 1 40 GLU QG . . 3.530 1.923 1.839 2.100 . 0 0 "[ . 1 . 2]" 1
176 1 9 PRO HA 1 11 THR H . . 4.770 4.241 3.457 4.735 . 0 0 "[ . 1 . 2]" 1
177 1 9 PRO HA 1 12 CYS H . . 3.920 3.092 2.662 3.679 . 0 0 "[ . 1 . 2]" 1
178 1 9 PRO HA 1 12 CYS HB2 . . 3.880 3.419 3.053 3.716 . 0 0 "[ . 1 . 2]" 1
179 1 9 PRO HA 1 12 CYS HB3 . . 3.430 2.338 1.972 2.896 . 0 0 "[ . 1 . 2]" 1
180 1 9 PRO HB2 1 10 LEU QD . . 3.530 3.438 2.757 3.603 0.073 20 0 "[ . 1 . 2]" 1
181 1 9 PRO HB2 1 12 CYS H . . 4.970 5.042 5.010 5.054 0.084 16 0 "[ . 1 . 2]" 1
182 1 9 PRO HD2 1 10 LEU H . . 3.810 2.942 2.320 3.251 . 0 0 "[ . 1 . 2]" 1
183 1 9 PRO HD3 1 10 LEU H . . 4.520 4.058 3.732 4.257 . 0 0 "[ . 1 . 2]" 1
184 1 9 PRO HG2 1 10 LEU H . . 3.550 2.903 2.596 3.264 . 0 0 "[ . 1 . 2]" 1
185 1 9 PRO HG3 1 10 LEU H . . 4.580 4.340 4.115 4.631 0.051 20 0 "[ . 1 . 2]" 1
186 1 9 PRO HG3 1 10 LEU QD . . 4.880 3.958 3.546 4.756 . 0 0 "[ . 1 . 2]" 1
187 1 10 LEU H 1 10 LEU HB2 . . 2.890 2.411 1.978 2.756 . 0 0 "[ . 1 . 2]" 1
188 1 10 LEU H 1 10 LEU HB3 . . 3.540 3.508 3.310 3.604 0.064 6 0 "[ . 1 . 2]" 1
189 1 10 LEU H 1 10 LEU QD . . 4.110 2.332 1.609 3.095 . 0 0 "[ . 1 . 2]" 1
190 1 10 LEU H 1 10 LEU HG . . 3.270 2.892 2.056 3.364 0.094 1 0 "[ . 1 . 2]" 1
191 1 10 LEU H 1 11 THR H . . 3.080 2.845 2.497 3.125 0.045 12 0 "[ . 1 . 2]" 1
192 1 10 LEU H 1 11 THR MG . . 4.970 4.809 4.287 5.056 0.086 16 0 "[ . 1 . 2]" 1
193 1 10 LEU H 1 12 CYS H . . 4.190 3.867 3.472 4.256 0.066 3 0 "[ . 1 . 2]" 1
194 1 10 LEU HA 1 10 LEU HB3 . . 2.930 2.527 2.376 2.747 . 0 0 "[ . 1 . 2]" 1
195 1 10 LEU HA 1 10 LEU QD . . 2.720 2.309 1.985 2.756 0.036 11 0 "[ . 1 . 2]" 1
196 1 10 LEU HB2 1 11 THR H . . 3.630 2.753 2.267 3.341 . 0 0 "[ . 1 . 2]" 1
197 1 10 LEU HB2 1 11 THR MG . . 4.210 3.353 2.761 4.246 0.036 8 0 "[ . 1 . 2]" 1
198 1 10 LEU HB3 1 11 THR H . . 3.790 3.614 2.694 3.861 0.071 10 0 "[ . 1 . 2]" 1
199 1 10 LEU HB3 1 11 THR MG . . 4.190 3.467 2.725 4.298 0.108 8 0 "[ . 1 . 2]" 1
200 1 10 LEU QD 1 11 THR H . . 5.080 3.994 3.248 4.345 . 0 0 "[ . 1 . 2]" 1
201 1 11 THR H 1 11 THR MG . . 3.420 2.885 2.185 3.423 0.003 17 0 "[ . 1 . 2]" 1
202 1 11 THR H 1 12 CYS H . . 2.980 2.222 1.894 2.522 . 0 0 "[ . 1 . 2]" 1
203 1 11 THR H 1 12 CYS HB3 . . 4.720 4.556 4.192 4.772 0.052 7 0 "[ . 1 . 2]" 1
204 1 11 THR HA 1 11 THR MG . . 2.860 2.341 2.184 3.007 0.147 19 0 "[ . 1 . 2]" 1
205 1 11 THR MG 1 12 CYS H . . 4.880 4.223 2.447 4.512 . 0 0 "[ . 1 . 2]" 1
206 1 12 CYS H 1 12 CYS HB2 . . 3.300 2.554 2.263 2.804 . 0 0 "[ . 1 . 2]" 1
207 1 12 CYS H 1 12 CYS HB3 . . 3.340 2.575 2.474 2.752 . 0 0 "[ . 1 . 2]" 1
208 1 12 CYS HA 1 13 PRO HD2 . . 3.540 2.181 2.023 2.333 . 0 0 "[ . 1 . 2]" 1
209 1 12 CYS HA 1 13 PRO HD3 . . 3.360 2.502 2.303 2.773 . 0 0 "[ . 1 . 2]" 1
210 1 12 CYS HB3 1 14 HIS H . . 4.310 3.228 2.851 3.499 . 0 0 "[ . 1 . 2]" 1
211 1 13 PRO HB2 1 14 HIS H . . 4.280 4.237 3.953 4.350 0.070 10 0 "[ . 1 . 2]" 1
212 1 13 PRO HB2 1 14 HIS HE1 . . 4.350 4.384 4.147 4.433 0.083 19 0 "[ . 1 . 2]" 1
213 1 13 PRO HD2 1 14 HIS H . . 3.560 3.465 3.123 3.619 0.059 5 0 "[ . 1 . 2]" 1
214 1 13 PRO HD2 1 14 HIS HD2 . . 3.970 3.282 2.783 3.730 . 0 0 "[ . 1 . 2]" 1
215 1 13 PRO HD2 1 37 SER QB . . 4.110 3.930 3.126 4.200 0.090 19 0 "[ . 1 . 2]" 1
216 1 13 PRO HD3 1 14 HIS H . . 4.700 4.341 4.153 4.459 . 0 0 "[ . 1 . 2]" 1
217 1 13 PRO HG2 1 14 HIS H . . 4.130 4.019 3.473 4.215 0.085 19 0 "[ . 1 . 2]" 1
218 1 13 PRO HG2 1 14 HIS HD2 . . 4.220 3.660 2.817 4.187 . 0 0 "[ . 1 . 2]" 1
219 1 13 PRO HG2 1 14 HIS HE1 . . 4.720 3.557 3.017 4.309 . 0 0 "[ . 1 . 2]" 1
220 1 14 HIS H 1 14 HIS QB . . 3.290 2.845 2.652 3.035 . 0 0 "[ . 1 . 2]" 1
221 1 14 HIS H 1 14 HIS HD2 . . 3.950 3.552 2.918 4.003 0.053 20 0 "[ . 1 . 2]" 1
222 1 14 HIS H 1 15 THR H . . 4.660 4.400 4.278 4.558 . 0 0 "[ . 1 . 2]" 1
223 1 14 HIS HA 1 15 THR H . . 2.690 2.299 2.128 2.740 0.050 3 0 "[ . 1 . 2]" 1
224 1 14 HIS HA 1 15 THR MG . . 3.890 3.399 3.203 3.587 . 0 0 "[ . 1 . 2]" 1
225 1 14 HIS QB 1 14 HIS HD2 . . 3.440 2.566 2.472 2.687 . 0 0 "[ . 1 . 2]" 1
226 1 14 HIS QB 1 15 THR H . . 3.460 2.843 2.185 3.154 . 0 0 "[ . 1 . 2]" 1
227 1 14 HIS QB 1 15 THR MG . . 5.210 4.447 4.128 4.588 . 0 0 "[ . 1 . 2]" 1
228 1 14 HIS QB 1 18 VAL QG . . 3.190 2.788 2.389 3.234 0.044 18 0 "[ . 1 . 2]" 1
229 1 14 HIS QB 1 19 VAL H . . 5.010 4.332 3.822 4.527 . 0 0 "[ . 1 . 2]" 1
230 1 14 HIS QB 1 19 VAL HA . . 3.280 2.592 2.311 2.895 . 0 0 "[ . 1 . 2]" 1
231 1 14 HIS QB 1 19 VAL HB . . 3.800 2.736 2.451 2.977 . 0 0 "[ . 1 . 2]" 1
232 1 14 HIS QB 1 19 VAL MG1 . . 4.670 4.144 3.904 4.328 . 0 0 "[ . 1 . 2]" 1
233 1 14 HIS QB 1 19 VAL MG2 . . 3.320 2.592 2.163 2.955 . 0 0 "[ . 1 . 2]" 1
234 1 14 HIS QB 1 22 GLU HB2 . . 3.880 3.892 3.531 4.661 0.781 3 2 "[ + . -1 . 2]" 1
235 1 14 HIS QB 1 22 GLU HG2 . . 4.170 2.453 2.078 3.647 . 0 0 "[ . 1 . 2]" 1
236 1 14 HIS QB 1 22 GLU HG3 . . 4.770 3.471 2.276 4.046 . 0 0 "[ . 1 . 2]" 1
237 1 14 HIS HD2 1 19 VAL HA . . 4.350 4.128 3.544 4.421 0.071 18 0 "[ . 1 . 2]" 1
238 1 14 HIS HD2 1 22 GLU HG2 . . 5.210 3.462 3.012 4.658 . 0 0 "[ . 1 . 2]" 1
239 1 14 HIS HE1 1 22 GLU HB2 . . 4.820 4.735 3.439 4.916 0.096 20 0 "[ . 1 . 2]" 1
240 1 14 HIS HE1 1 22 GLU HG2 . . 4.720 4.117 3.251 5.353 0.633 18 1 "[ . 1 . + 2]" 1
241 1 14 HIS HE1 1 29 ASN HB3 . . 4.650 4.072 3.091 4.714 0.064 9 0 "[ . 1 . 2]" 1
242 1 14 HIS HE1 1 29 ASN QD . . 3.960 2.787 2.402 3.364 . 0 0 "[ . 1 . 2]" 1
243 1 15 THR H 1 15 THR MG . . 2.720 2.314 2.036 2.769 0.049 3 0 "[ . 1 . 2]" 1
244 1 15 THR H 1 18 VAL H . . 4.380 3.739 3.313 4.308 . 0 0 "[ . 1 . 2]" 1
245 1 15 THR H 1 18 VAL QG . . 3.410 2.645 2.115 3.480 0.070 9 0 "[ . 1 . 2]" 1
246 1 15 THR HA 1 15 THR HB . . 2.900 2.476 2.397 2.592 . 0 0 "[ . 1 . 2]" 1
247 1 15 THR HA 1 15 THR MG . . 3.020 2.346 2.230 2.481 . 0 0 "[ . 1 . 2]" 1
248 1 15 THR HA 1 16 ILE H . . 2.550 2.395 2.309 2.468 . 0 0 "[ . 1 . 2]" 1
249 1 15 THR HA 1 16 ILE MG . . 4.360 4.344 3.949 4.446 0.086 13 0 "[ . 1 . 2]" 1
250 1 15 THR HA 1 17 SER H . . 4.480 3.971 3.661 4.181 . 0 0 "[ . 1 . 2]" 1
251 1 15 THR HA 1 19 VAL MG1 . . 5.140 5.004 4.686 5.215 0.075 4 0 "[ . 1 . 2]" 1
252 1 15 THR HB 1 16 ILE H . . 2.880 2.750 2.551 2.935 0.055 10 0 "[ . 1 . 2]" 1
253 1 15 THR HB 1 16 ILE MG . . 4.710 3.648 3.439 3.933 . 0 0 "[ . 1 . 2]" 1
254 1 15 THR HB 1 17 SER H . . 3.470 2.692 2.082 3.171 . 0 0 "[ . 1 . 2]" 1
255 1 15 THR HB 1 18 VAL H . . 4.790 4.159 3.603 4.840 0.050 18 0 "[ . 1 . 2]" 1
256 1 15 THR MG 1 18 VAL H . . 4.780 4.680 4.231 4.897 0.117 18 0 "[ . 1 . 2]" 1
257 1 16 ILE H 1 16 ILE HB . . 2.560 2.281 2.122 2.420 . 0 0 "[ . 1 . 2]" 1
258 1 16 ILE H 1 16 ILE MD . . 4.660 4.252 3.848 4.387 . 0 0 "[ . 1 . 2]" 1
259 1 16 ILE H 1 16 ILE HG12 . . 4.880 4.579 4.497 4.620 . 0 0 "[ . 1 . 2]" 1
260 1 16 ILE H 1 16 ILE HG13 . . 4.930 4.264 4.130 4.476 . 0 0 "[ . 1 . 2]" 1
261 1 16 ILE H 1 16 ILE MG . . 3.030 2.327 2.074 2.447 . 0 0 "[ . 1 . 2]" 1
262 1 16 ILE H 1 17 SER H . . 3.310 2.787 2.677 2.894 . 0 0 "[ . 1 . 2]" 1
263 1 16 ILE H 1 19 VAL MG1 . . 5.150 4.222 3.947 4.386 . 0 0 "[ . 1 . 2]" 1
264 1 16 ILE HA 1 16 ILE HB . . 2.820 2.495 2.356 2.558 . 0 0 "[ . 1 . 2]" 1
265 1 16 ILE HA 1 16 ILE MD . . 3.690 3.633 2.042 3.760 0.070 2 0 "[ . 1 . 2]" 1
266 1 16 ILE HA 1 16 ILE HG12 . . 3.400 2.994 2.854 3.155 . 0 0 "[ . 1 . 2]" 1
267 1 16 ILE HA 1 16 ILE HG13 . . 2.960 2.314 2.162 2.378 . 0 0 "[ . 1 . 2]" 1
268 1 16 ILE HA 1 16 ILE MG . . 3.650 3.234 3.112 3.269 . 0 0 "[ . 1 . 2]" 1
269 1 16 ILE HA 1 17 SER H . . 3.370 3.398 3.226 3.457 0.087 13 0 "[ . 1 . 2]" 1
270 1 16 ILE HA 1 19 VAL HB . . 3.390 3.192 2.678 3.457 0.067 13 0 "[ . 1 . 2]" 1
271 1 16 ILE HA 1 19 VAL MG1 . . 2.860 2.023 1.867 2.143 . 0 0 "[ . 1 . 2]" 1
272 1 16 ILE HA 1 19 VAL MG2 . . 4.190 4.108 3.819 4.283 0.093 16 0 "[ . 1 . 2]" 1
273 1 16 ILE HB 1 16 ILE MD . . 3.380 2.369 2.299 2.438 . 0 0 "[ . 1 . 2]" 1
274 1 16 ILE HB 1 17 SER H . . 4.130 4.163 4.080 4.217 0.087 18 0 "[ . 1 . 2]" 1
275 1 16 ILE MD 1 16 ILE MG . . 3.140 2.191 2.104 3.252 0.112 13 0 "[ . 1 . 2]" 1
276 1 16 ILE HG12 1 17 SER H . . 5.040 4.733 4.467 5.157 0.117 13 0 "[ . 1 . 2]" 1
277 1 16 ILE HG12 1 17 SER HA . . 4.830 4.847 4.485 5.632 0.802 13 1 "[ . 1 + . 2]" 1
278 1 16 ILE HG13 1 19 VAL MG1 . . 4.160 2.777 2.364 3.026 . 0 0 "[ . 1 . 2]" 1
279 1 16 ILE MG 1 17 SER H . . 3.000 2.761 2.502 3.058 0.058 18 0 "[ . 1 . 2]" 1
280 1 16 ILE MG 1 17 SER HA . . 3.860 3.617 3.437 3.867 0.007 6 0 "[ . 1 . 2]" 1
281 1 17 SER H 1 17 SER HB2 . . 3.320 2.267 2.014 2.562 . 0 0 "[ . 1 . 2]" 1
282 1 17 SER H 1 17 SER HB3 . . 3.310 3.020 2.288 3.413 0.103 6 0 "[ . 1 . 2]" 1
283 1 17 SER H 1 18 VAL H . . 2.510 2.560 2.396 2.590 0.080 10 0 "[ . 1 . 2]" 1
284 1 17 SER HA 1 17 SER HB2 . . 2.800 2.790 2.434 3.063 0.263 6 0 "[ . 1 . 2]" 1
285 1 17 SER HA 1 17 SER HB3 . . 3.000 2.793 2.410 3.051 0.051 4 0 "[ . 1 . 2]" 1
286 1 17 SER HA 1 19 VAL MG1 . . 5.070 4.963 4.513 5.167 0.097 14 0 "[ . 1 . 2]" 1
287 1 17 SER HB2 1 18 VAL H . . 4.360 3.357 2.474 4.059 . 0 0 "[ . 1 . 2]" 1
288 1 17 SER HB2 1 18 VAL QG . . 4.070 3.293 2.158 3.907 . 0 0 "[ . 1 . 2]" 1
289 1 17 SER HB3 1 18 VAL H . . 4.050 3.221 2.468 4.174 0.124 3 0 "[ . 1 . 2]" 1
290 1 17 SER HB3 1 18 VAL QG . . 3.890 2.568 2.115 3.586 . 0 0 "[ . 1 . 2]" 1
291 1 18 VAL H 1 18 VAL HB . . 4.090 3.825 2.333 3.959 . 0 0 "[ . 1 . 2]" 1
292 1 18 VAL H 1 18 VAL QG . . 3.050 2.226 2.005 2.916 . 0 0 "[ . 1 . 2]" 1
293 1 18 VAL H 1 19 VAL HA . . 4.460 4.443 4.158 4.542 0.082 9 0 "[ . 1 . 2]" 1
294 1 18 VAL H 1 19 VAL HB . . 4.020 3.984 3.782 4.093 0.073 19 0 "[ . 1 . 2]" 1
295 1 18 VAL H 1 19 VAL MG1 . . 4.270 3.695 3.276 3.920 . 0 0 "[ . 1 . 2]" 1
296 1 18 VAL HA 1 18 VAL HB . . 2.760 2.430 2.292 2.851 0.091 9 0 "[ . 1 . 2]" 1
297 1 18 VAL HA 1 18 VAL QG . . 2.970 2.360 2.159 2.460 . 0 0 "[ . 1 . 2]" 1
298 1 18 VAL HA 1 22 GLU H . . 4.130 4.057 3.285 4.213 0.083 10 0 "[ . 1 . 2]" 1
299 1 18 VAL HB 1 21 TYR QD . . 3.540 3.281 2.468 3.662 0.122 9 0 "[ . 1 . 2]" 1
300 1 18 VAL HB 1 22 GLU HB2 . . 4.310 3.896 2.952 5.053 0.743 9 1 "[ . +1 . 2]" 1
301 1 18 VAL QG 1 19 VAL H . . 3.690 3.500 2.865 3.601 . 0 0 "[ . 1 . 2]" 1
302 1 18 VAL QG 1 19 VAL HA . . 3.820 3.773 3.030 3.875 0.055 15 0 "[ . 1 . 2]" 1
303 1 18 VAL QG 1 19 VAL HB . . 4.630 4.246 3.893 4.592 . 0 0 "[ . 1 . 2]" 1
304 1 18 VAL QG 1 22 GLU H . . 4.830 4.269 3.015 4.646 . 0 0 "[ . 1 . 2]" 1
305 1 18 VAL QG 1 22 GLU HB2 . . 3.440 3.381 2.256 3.664 0.224 18 0 "[ . 1 . 2]" 1
306 1 18 VAL QG 1 22 GLU HB3 . . 3.590 3.297 1.961 3.606 0.016 1 0 "[ . 1 . 2]" 1
307 1 19 VAL H 1 19 VAL HB . . 3.180 2.916 2.378 3.253 0.073 9 0 "[ . 1 . 2]" 1
308 1 19 VAL H 1 19 VAL MG1 . . 2.960 2.113 1.976 2.485 . 0 0 "[ . 1 . 2]" 1
309 1 19 VAL H 1 19 VAL MG2 . . 4.030 3.883 3.742 3.997 . 0 0 "[ . 1 . 2]" 1
310 1 19 VAL H 1 20 TRP H . . 3.620 2.472 2.061 3.272 . 0 0 "[ . 1 . 2]" 1
311 1 19 VAL HA 1 19 VAL HB . . 2.820 2.375 2.273 2.528 . 0 0 "[ . 1 . 2]" 1
312 1 19 VAL HA 1 19 VAL MG1 . . 3.640 3.262 3.225 3.304 . 0 0 "[ . 1 . 2]" 1
313 1 19 VAL HA 1 19 VAL MG2 . . 3.050 2.346 2.279 2.500 . 0 0 "[ . 1 . 2]" 1
314 1 19 VAL HA 1 22 GLU H . . 3.630 3.530 3.011 3.696 0.066 19 0 "[ . 1 . 2]" 1
315 1 19 VAL HA 1 22 GLU HB2 . . 4.230 4.140 3.758 4.398 0.168 18 0 "[ . 1 . 2]" 1
316 1 19 VAL HA 1 22 GLU HB3 . . 4.290 2.844 2.559 3.900 . 0 0 "[ . 1 . 2]" 1
317 1 19 VAL HA 1 22 GLU HG2 . . 4.000 2.566 1.870 4.056 0.056 10 0 "[ . 1 . 2]" 1
318 1 19 VAL HA 1 22 GLU HG3 . . 3.320 2.945 2.383 3.639 0.319 6 0 "[ . 1 . 2]" 1
319 1 19 VAL HA 1 23 CYS H . . 4.260 4.145 3.547 4.326 0.066 16 0 "[ . 1 . 2]" 1
320 1 19 VAL HB 1 22 GLU HG3 . . 5.000 5.055 4.539 5.798 0.798 6 2 "[ - .+ 1 . 2]" 1
321 1 19 VAL MG1 1 20 TRP H . . 3.080 2.292 2.040 3.162 0.082 10 0 "[ . 1 . 2]" 1
322 1 19 VAL MG1 1 20 TRP HA . . 4.140 3.646 3.436 3.952 . 0 0 "[ . 1 . 2]" 1
323 1 19 VAL MG1 1 20 TRP HB2 . . 4.070 3.406 3.070 3.888 . 0 0 "[ . 1 . 2]" 1
324 1 19 VAL MG1 1 20 TRP HE3 . . 4.720 4.467 4.011 4.807 0.087 7 0 "[ . 1 . 2]" 1
325 1 19 VAL MG1 1 21 TYR H . . 4.950 4.803 4.350 5.059 0.109 10 0 "[ . 1 . 2]" 1
326 1 19 VAL MG1 1 38 CYS HB3 . . 4.820 4.316 4.122 4.686 . 0 0 "[ . 1 . 2]" 1
327 1 19 VAL MG1 1 39 PHE QE . . 3.680 3.115 2.932 3.356 . 0 0 "[ . 1 . 2]" 1
328 1 19 VAL MG1 1 39 PHE HZ . . 3.150 2.258 2.120 2.638 . 0 0 "[ . 1 . 2]" 1
329 1 19 VAL MG2 1 20 TRP H . . 4.720 3.635 3.366 4.360 . 0 0 "[ . 1 . 2]" 1
330 1 19 VAL MG2 1 23 CYS H . . 4.630 4.337 3.813 4.729 0.099 10 0 "[ . 1 . 2]" 1
331 1 19 VAL MG2 1 38 CYS HB2 . . 3.470 3.227 2.913 3.533 0.063 2 0 "[ . 1 . 2]" 1
332 1 19 VAL MG2 1 38 CYS HB3 . . 2.970 2.242 2.014 2.571 . 0 0 "[ . 1 . 2]" 1
333 1 19 VAL MG2 1 39 PHE QD . . 4.840 3.735 3.494 4.038 . 0 0 "[ . 1 . 2]" 1
334 1 19 VAL MG2 1 39 PHE QE . . 3.430 2.545 2.176 2.976 . 0 0 "[ . 1 . 2]" 1
335 1 19 VAL MG2 1 39 PHE HZ . . 3.610 2.718 2.379 3.067 . 0 0 "[ . 1 . 2]" 1
336 1 20 TRP H 1 20 TRP HB2 . . 3.010 2.500 2.364 2.743 . 0 0 "[ . 1 . 2]" 1
337 1 20 TRP H 1 20 TRP HB3 . . 3.060 2.530 2.369 2.628 . 0 0 "[ . 1 . 2]" 1
338 1 20 TRP H 1 20 TRP HE3 . . 4.640 4.603 4.424 4.710 0.070 10 0 "[ . 1 . 2]" 1
339 1 20 TRP H 1 21 TYR H . . 3.170 2.990 2.245 3.213 0.043 19 0 "[ . 1 . 2]" 1
340 1 20 TRP H 1 39 PHE HZ . . 4.440 3.491 2.927 4.483 0.043 10 0 "[ . 1 . 2]" 1
341 1 20 TRP HA 1 20 TRP HE3 . . 3.200 2.502 2.295 2.857 . 0 0 "[ . 1 . 2]" 1
342 1 20 TRP HA 1 23 CYS H . . 4.140 3.764 3.597 4.152 0.012 10 0 "[ . 1 . 2]" 1
343 1 20 TRP HA 1 23 CYS HB2 . . 4.120 3.956 3.197 4.293 0.173 3 0 "[ . 1 . 2]" 1
344 1 20 TRP HA 1 24 THR MG . . 4.130 3.129 2.914 3.309 . 0 0 "[ . 1 . 2]" 1
345 1 20 TRP HA 1 39 PHE QE . . 4.070 2.923 2.306 3.319 . 0 0 "[ . 1 . 2]" 1
346 1 20 TRP HA 1 39 PHE HZ . . 3.450 2.868 2.453 3.444 . 0 0 "[ . 1 . 2]" 1
347 1 20 TRP HB2 1 21 TYR H . . 3.750 3.684 3.446 3.795 0.045 17 0 "[ . 1 . 2]" 1
348 1 20 TRP HB2 1 39 PHE HZ . . 4.070 3.183 2.618 3.901 . 0 0 "[ . 1 . 2]" 1
349 1 20 TRP HB3 1 20 TRP HD1 . . 3.250 2.582 2.504 2.643 . 0 0 "[ . 1 . 2]" 1
350 1 20 TRP HB3 1 21 TYR H . . 2.770 2.226 1.923 2.377 . 0 0 "[ . 1 . 2]" 1
351 1 20 TRP HD1 1 21 TYR H . . 4.440 3.319 2.643 3.929 . 0 0 "[ . 1 . 2]" 1
352 1 20 TRP HD1 1 21 TYR HA . . 4.580 3.782 3.273 4.252 . 0 0 "[ . 1 . 2]" 1
353 1 20 TRP HD1 1 21 TYR HB3 . . 5.310 4.951 3.739 5.379 0.069 10 0 "[ . 1 . 2]" 1
354 1 20 TRP HE1 1 24 THR MG . . 4.960 4.355 3.979 4.857 . 0 0 "[ . 1 . 2]" 1
355 1 20 TRP HE1 1 50 GLN HG2 . . 4.220 2.961 2.651 3.559 . 0 0 "[ . 1 . 2]" 1
356 1 20 TRP HE3 1 24 THR MG . . 4.100 3.382 3.100 3.981 . 0 0 "[ . 1 . 2]" 1
357 1 20 TRP HE3 1 39 PHE HZ . . 3.520 2.783 2.525 3.401 . 0 0 "[ . 1 . 2]" 1
358 1 20 TRP HH2 1 24 THR MG . . 4.280 3.842 3.469 4.251 . 0 0 "[ . 1 . 2]" 1
359 1 20 TRP HH2 1 46 MET HA . . 4.600 3.830 3.567 3.983 . 0 0 "[ . 1 . 2]" 1
360 1 20 TRP HH2 1 46 MET HB2 . . 3.610 3.588 3.065 3.691 0.081 9 0 "[ . 1 . 2]" 1
361 1 20 TRP HH2 1 46 MET HB3 . . 3.230 2.504 2.224 2.893 . 0 0 "[ . 1 . 2]" 1
362 1 20 TRP HH2 1 46 MET QG . . 5.050 4.570 4.182 4.728 . 0 0 "[ . 1 . 2]" 1
363 1 20 TRP HH2 1 47 CYS H . . 4.360 3.982 3.734 4.234 . 0 0 "[ . 1 . 2]" 1
364 1 20 TRP HH2 1 47 CYS HA . . 3.410 3.007 2.613 3.394 . 0 0 "[ . 1 . 2]" 1
365 1 20 TRP HH2 1 50 GLN HB2 . . 4.120 2.888 2.537 3.288 . 0 0 "[ . 1 . 2]" 1
366 1 20 TRP HH2 1 50 GLN HB3 . . 4.450 3.687 3.262 4.329 . 0 0 "[ . 1 . 2]" 1
367 1 20 TRP HZ2 1 24 THR MG . . 4.200 3.876 3.558 4.275 0.075 3 0 "[ . 1 . 2]" 1
368 1 20 TRP HZ2 1 50 GLN H . . 4.490 4.554 4.494 4.570 0.080 13 0 "[ . 1 . 2]" 1
369 1 20 TRP HZ2 1 50 GLN HB2 . . 3.640 2.370 2.258 2.539 . 0 0 "[ . 1 . 2]" 1
370 1 20 TRP HZ2 1 50 GLN HB3 . . 4.060 3.480 3.179 3.874 . 0 0 "[ . 1 . 2]" 1
371 1 20 TRP HZ2 1 50 GLN HG2 . . 3.470 2.749 2.452 3.020 . 0 0 "[ . 1 . 2]" 1
372 1 20 TRP HZ2 1 50 GLN HG3 . . 4.390 4.158 2.779 4.454 0.064 6 0 "[ . 1 . 2]" 1
373 1 20 TRP HZ3 1 24 THR MG . . 4.300 3.556 3.254 4.074 . 0 0 "[ . 1 . 2]" 1
374 1 20 TRP HZ3 1 39 PHE QE . . 4.760 4.312 3.901 4.803 0.043 12 0 "[ . 1 . 2]" 1
375 1 20 TRP HZ3 1 46 MET HB2 . . 4.240 3.432 2.751 3.825 . 0 0 "[ . 1 . 2]" 1
376 1 20 TRP HZ3 1 47 CYS H . . 3.970 3.086 2.853 3.401 . 0 0 "[ . 1 . 2]" 1
377 1 20 TRP HZ3 1 47 CYS HA . . 3.390 2.371 2.219 2.682 . 0 0 "[ . 1 . 2]" 1
378 1 20 TRP HZ3 1 47 CYS HB2 . . 3.450 2.699 2.287 3.132 . 0 0 "[ . 1 . 2]" 1
379 1 20 TRP HZ3 1 47 CYS HB3 . . 4.250 4.129 3.812 4.320 0.070 12 0 "[ . 1 . 2]" 1
380 1 21 TYR H 1 21 TYR HB3 . . 2.770 2.288 2.129 2.439 . 0 0 "[ . 1 . 2]" 1
381 1 21 TYR HA 1 21 TYR HB2 . . 2.970 2.346 2.195 2.417 . 0 0 "[ . 1 . 2]" 1
382 1 21 TYR HA 1 21 TYR QD . . 3.200 3.027 2.711 3.294 0.094 16 0 "[ . 1 . 2]" 1
383 1 21 TYR HA 1 24 THR H . . 4.170 3.589 3.153 3.854 . 0 0 "[ . 1 . 2]" 1
384 1 21 TYR HA 1 25 GLU HB2 . . 3.380 2.954 2.323 3.385 0.005 5 0 "[ . 1 . 2]" 1
385 1 21 TYR HA 1 25 GLU HB3 . . 3.540 3.345 2.905 3.605 0.065 17 0 "[ . 1 . 2]" 1
386 1 21 TYR QD 1 22 GLU H . . 3.370 2.927 2.387 3.413 0.043 10 0 "[ . 1 . 2]" 1
387 1 21 TYR QD 1 22 GLU HB2 . . 4.220 3.392 2.676 4.052 . 0 0 "[ . 1 . 2]" 1
388 1 21 TYR QD 1 22 GLU HB3 . . 3.470 3.246 2.312 3.559 0.089 4 0 "[ . 1 . 2]" 1
389 1 21 TYR QD 1 25 GLU HB2 . . 3.370 3.349 3.153 3.457 0.087 3 0 "[ . 1 . 2]" 1
390 1 21 TYR QD 1 25 GLU HB3 . . 3.660 2.829 2.370 3.412 . 0 0 "[ . 1 . 2]" 1
391 1 21 TYR QD 1 25 GLU QG . . 5.430 3.358 2.515 4.041 . 0 0 "[ . 1 . 2]" 1
392 1 21 TYR QD 1 26 ASN HB2 . . 4.770 3.924 3.231 4.356 . 0 0 "[ . 1 . 2]" 1
393 1 21 TYR QE 1 25 GLU HB2 . . 4.480 4.295 3.802 4.562 0.082 16 0 "[ . 1 . 2]" 1
394 1 21 TYR QE 1 25 GLU HB3 . . 4.270 3.098 2.707 3.456 . 0 0 "[ . 1 . 2]" 1
395 1 21 TYR QE 1 25 GLU QG . . 3.850 2.898 2.340 3.719 . 0 0 "[ . 1 . 2]" 1
396 1 21 TYR QE 1 26 ASN H . . 4.830 4.227 3.999 4.634 . 0 0 "[ . 1 . 2]" 1
397 1 21 TYR QE 1 26 ASN HA . . 4.420 4.253 3.603 4.514 0.094 19 0 "[ . 1 . 2]" 1
398 1 21 TYR QE 1 26 ASN HB2 . . 3.600 2.757 2.357 3.385 . 0 0 "[ . 1 . 2]" 1
399 1 21 TYR QE 1 26 ASN QD . . 3.980 3.847 3.459 3.943 . 0 0 "[ . 1 . 2]" 1
400 1 22 GLU H 1 22 GLU HB2 . . 3.680 3.137 2.998 3.226 . 0 0 "[ . 1 . 2]" 1
401 1 22 GLU H 1 22 GLU HB3 . . 3.120 1.840 1.688 2.210 . 0 0 "[ . 1 . 2]" 1
402 1 22 GLU H 1 22 GLU HG2 . . 3.800 3.692 2.093 3.892 0.092 14 0 "[ . 1 . 2]" 1
403 1 22 GLU H 1 22 GLU HG3 . . 3.360 3.444 3.248 3.891 0.531 3 1 "[ + . 1 . 2]" 1
404 1 22 GLU H 1 23 CYS H . . 3.260 2.653 2.528 2.922 . 0 0 "[ . 1 . 2]" 1
405 1 22 GLU H 1 24 THR H . . 4.430 3.991 3.786 4.218 . 0 0 "[ . 1 . 2]" 1
406 1 22 GLU HA 1 22 GLU HG3 . . 3.820 3.711 3.320 3.917 0.097 10 0 "[ . 1 . 2]" 1
407 1 22 GLU HA 1 26 ASN H . . 3.640 3.161 2.793 3.661 0.021 16 0 "[ . 1 . 2]" 1
408 1 22 GLU HA 1 26 ASN HB2 . . 3.360 2.724 2.139 3.411 0.051 16 0 "[ . 1 . 2]" 1
409 1 22 GLU HA 1 26 ASN QD . . 4.120 3.156 2.689 3.581 . 0 0 "[ . 1 . 2]" 1
410 1 22 GLU HA 1 29 ASN QD . . 5.290 3.893 2.908 4.373 . 0 0 "[ . 1 . 2]" 1
411 1 22 GLU HB2 1 29 ASN QD . . 5.250 3.721 2.847 4.334 . 0 0 "[ . 1 . 2]" 1
412 1 22 GLU HG2 1 23 CYS H . . 4.280 4.041 2.926 4.367 0.087 9 0 "[ . 1 . 2]" 1
413 1 22 GLU HG2 1 29 ASN QD . . 4.210 4.156 3.141 4.725 0.515 18 1 "[ . 1 . + 2]" 1
414 1 22 GLU HG3 1 23 CYS H . . 3.630 2.900 2.446 3.819 0.189 18 0 "[ . 1 . 2]" 1
415 1 23 CYS H 1 23 CYS HB2 . . 2.990 2.367 2.266 2.432 . 0 0 "[ . 1 . 2]" 1
416 1 23 CYS H 1 23 CYS HB3 . . 3.620 3.108 2.636 3.623 0.003 12 0 "[ . 1 . 2]" 1
417 1 23 CYS H 1 24 THR H . . 3.180 2.300 2.201 2.434 . 0 0 "[ . 1 . 2]" 1
418 1 23 CYS H 1 24 THR HA . . 4.750 4.841 4.827 4.855 0.105 10 0 "[ . 1 . 2]" 1
419 1 23 CYS H 1 24 THR HG1 . . 4.860 3.789 3.339 4.927 0.067 7 0 "[ . 1 . 2]" 1
420 1 23 CYS H 1 24 THR MG . . 4.500 3.470 3.292 3.692 . 0 0 "[ . 1 . 2]" 1
421 1 23 CYS HB2 1 24 THR MG . . 3.750 3.487 2.686 3.849 0.099 19 0 "[ . 1 . 2]" 1
422 1 23 CYS HB2 1 39 PHE QE . . 3.520 3.053 2.413 3.434 . 0 0 "[ . 1 . 2]" 1
423 1 23 CYS HB2 1 39 PHE HZ . . 5.110 5.040 4.407 5.193 0.083 10 0 "[ . 1 . 2]" 1
424 1 23 CYS HB3 1 24 THR H . . 4.400 3.830 3.381 4.337 . 0 0 "[ . 1 . 2]" 1
425 1 23 CYS HB3 1 24 THR MG . . 3.730 2.853 2.347 3.594 . 0 0 "[ . 1 . 2]" 1
426 1 24 THR H 1 24 THR HB . . 4.060 3.835 3.738 3.942 . 0 0 "[ . 1 . 2]" 1
427 1 24 THR H 1 24 THR HG1 . . 3.060 2.495 2.191 3.112 0.052 4 0 "[ . 1 . 2]" 1
428 1 24 THR H 1 24 THR MG . . 3.320 2.863 2.744 2.991 . 0 0 "[ . 1 . 2]" 1
429 1 24 THR H 1 25 GLU HA . . 4.720 4.762 4.654 4.793 0.073 12 0 "[ . 1 . 2]" 1
430 1 24 THR H 1 25 GLU HB3 . . 4.900 4.339 4.037 4.491 . 0 0 "[ . 1 . 2]" 1
431 1 24 THR H 1 26 ASN H . . 3.950 3.511 3.292 3.861 . 0 0 "[ . 1 . 2]" 1
432 1 24 THR H 1 30 CYS HB2 . . 3.980 3.680 3.111 4.055 0.075 10 0 "[ . 1 . 2]" 1
433 1 24 THR H 1 30 CYS HB3 . . 4.820 3.783 3.291 4.871 0.051 16 0 "[ . 1 . 2]" 1
434 1 24 THR HA 1 24 THR HB . . 2.850 2.403 2.341 2.451 . 0 0 "[ . 1 . 2]" 1
435 1 24 THR HA 1 24 THR HG1 . . 4.030 3.601 3.495 3.675 . 0 0 "[ . 1 . 2]" 1
436 1 24 THR HA 1 24 THR MG . . 3.090 2.429 2.325 2.500 . 0 0 "[ . 1 . 2]" 1
437 1 24 THR HA 1 30 CYS HB2 . . 3.130 2.866 2.437 3.194 0.064 13 0 "[ . 1 . 2]" 1
438 1 24 THR HA 1 51 ALA H . . 4.340 3.861 3.572 4.180 . 0 0 "[ . 1 . 2]" 1
439 1 24 THR HA 1 51 ALA HA . . 2.910 2.634 2.242 2.979 0.069 17 0 "[ . 1 . 2]" 1
440 1 24 THR HA 1 51 ALA MB . . 3.020 2.412 2.091 2.977 . 0 0 "[ . 1 . 2]" 1
441 1 24 THR HB 1 25 GLU H . . 4.510 4.366 4.186 4.569 0.059 4 0 "[ . 1 . 2]" 1
442 1 24 THR HB 1 50 GLN HB2 . . 3.990 3.933 3.543 4.072 0.082 9 0 "[ . 1 . 2]" 1
443 1 24 THR HB 1 50 GLN HB3 . . 3.530 2.463 2.106 2.713 . 0 0 "[ . 1 . 2]" 1
444 1 24 THR HB 1 50 GLN HG2 . . 3.480 2.768 2.478 3.572 0.092 4 0 "[ . 1 . 2]" 1
445 1 24 THR HB 1 50 GLN HG3 . . 3.200 2.265 2.089 2.704 . 0 0 "[ . 1 . 2]" 1
446 1 24 THR HB 1 51 ALA H . . 3.630 3.408 3.053 3.706 0.076 9 0 "[ . 1 . 2]" 1
447 1 24 THR HB 1 51 ALA HA . . 3.650 3.220 2.825 3.721 0.071 4 0 "[ . 1 . 2]" 1
448 1 24 THR HB 1 51 ALA MB . . 4.160 3.554 3.150 4.020 . 0 0 "[ . 1 . 2]" 1
449 1 24 THR HG1 1 24 THR MG . . 3.120 2.341 2.121 3.060 . 0 0 "[ . 1 . 2]" 1
450 1 24 THR HG1 1 25 GLU H . . 3.860 3.578 3.281 3.912 0.052 17 0 "[ . 1 . 2]" 1
451 1 24 THR HG1 1 25 GLU HB3 . . 4.890 4.793 3.615 4.963 0.073 10 0 "[ . 1 . 2]" 1
452 1 24 THR HG1 1 50 GLN HG3 . . 4.970 4.246 3.146 4.865 . 0 0 "[ . 1 . 2]" 1
453 1 24 THR MG 1 25 GLU H . . 4.410 4.285 4.192 4.365 . 0 0 "[ . 1 . 2]" 1
454 1 24 THR MG 1 39 PHE QE . . 4.670 3.669 3.279 4.206 . 0 0 "[ . 1 . 2]" 1
455 1 24 THR MG 1 50 GLN H . . 4.550 3.895 3.680 4.110 . 0 0 "[ . 1 . 2]" 1
456 1 24 THR MG 1 50 GLN HB2 . . 3.870 3.400 3.040 3.723 . 0 0 "[ . 1 . 2]" 1
457 1 24 THR MG 1 50 GLN HB3 . . 3.360 2.217 2.029 2.423 . 0 0 "[ . 1 . 2]" 1
458 1 24 THR MG 1 50 GLN HG2 . . 3.990 3.060 2.586 4.000 0.010 4 0 "[ . 1 . 2]" 1
459 1 24 THR MG 1 50 GLN HG3 . . 4.320 3.476 2.685 3.795 . 0 0 "[ . 1 . 2]" 1
460 1 24 THR MG 1 51 ALA H . . 3.730 2.850 2.660 3.234 . 0 0 "[ . 1 . 2]" 1
461 1 24 THR MG 1 51 ALA HA . . 4.480 3.682 3.364 4.062 . 0 0 "[ . 1 . 2]" 1
462 1 24 THR MG 1 51 ALA MB . . 3.910 2.542 2.215 2.890 . 0 0 "[ . 1 . 2]" 1
463 1 25 GLU H 1 25 GLU HB2 . . 3.330 2.843 2.648 3.053 . 0 0 "[ . 1 . 2]" 1
464 1 25 GLU H 1 25 GLU HB3 . . 3.400 2.847 2.661 3.132 . 0 0 "[ . 1 . 2]" 1
465 1 25 GLU H 1 25 GLU QG . . 4.510 4.147 4.073 4.218 . 0 0 "[ . 1 . 2]" 1
466 1 25 GLU H 1 26 ASN H . . 2.720 1.955 1.768 2.157 . 0 0 "[ . 1 . 2]" 1
467 1 25 GLU H 1 26 ASN HB2 . . 4.700 4.504 4.330 4.705 0.005 18 0 "[ . 1 . 2]" 1
468 1 25 GLU H 1 30 CYS H . . 5.360 5.123 4.801 5.422 0.062 13 0 "[ . 1 . 2]" 1
469 1 25 GLU H 1 30 CYS HB2 . . 4.260 3.499 2.645 4.298 0.038 10 0 "[ . 1 . 2]" 1
470 1 25 GLU H 1 30 CYS HB3 . . 3.750 3.187 2.770 3.821 0.071 8 0 "[ . 1 . 2]" 1
471 1 25 GLU HA 1 25 GLU QG . . 3.580 2.227 2.100 2.396 . 0 0 "[ . 1 . 2]" 1
472 1 25 GLU HB2 1 26 ASN H . . 3.510 3.593 3.537 3.836 0.326 14 0 "[ . 1 . 2]" 1
473 1 25 GLU HB3 1 26 ASN H . . 3.760 2.531 2.292 2.806 . 0 0 "[ . 1 . 2]" 1
474 1 26 ASN H 1 26 ASN HB2 . . 3.150 2.625 2.434 2.851 . 0 0 "[ . 1 . 2]" 1
475 1 26 ASN H 1 26 ASN HB3 . . 3.170 2.470 2.348 2.602 . 0 0 "[ . 1 . 2]" 1
476 1 26 ASN H 1 26 ASN QD . . 4.630 4.510 4.431 4.541 . 0 0 "[ . 1 . 2]" 1
477 1 26 ASN H 1 30 CYS HB3 . . 3.790 3.467 3.061 3.864 0.074 14 0 "[ . 1 . 2]" 1
478 1 26 ASN HA 1 27 THR H . . 2.650 2.253 2.138 2.349 . 0 0 "[ . 1 . 2]" 1
479 1 26 ASN HA 1 27 THR MG . . 4.140 3.973 3.677 4.232 0.092 19 0 "[ . 1 . 2]" 1
480 1 26 ASN HA 1 28 ALA H . . 4.210 3.635 3.457 3.892 . 0 0 "[ . 1 . 2]" 1
481 1 26 ASN HB2 1 27 THR H . . 5.080 4.549 4.431 4.654 . 0 0 "[ . 1 . 2]" 1
482 1 26 ASN HB3 1 27 THR H . . 4.680 4.497 4.390 4.572 . 0 0 "[ . 1 . 2]" 1
483 1 26 ASN HB3 1 29 ASN H . . 3.930 3.943 3.653 4.004 0.074 17 0 "[ . 1 . 2]" 1
484 1 26 ASN HB3 1 29 ASN QD . . 4.520 3.288 2.498 4.177 . 0 0 "[ . 1 . 2]" 1
485 1 26 ASN HB3 1 30 CYS H . . 4.200 3.869 3.655 4.146 . 0 0 "[ . 1 . 2]" 1
486 1 26 ASN QD 1 28 ALA MB . . 3.470 2.554 1.995 3.245 . 0 0 "[ . 1 . 2]" 1
487 1 26 ASN QD 1 29 ASN HB2 . . 4.830 4.411 3.309 5.604 0.774 17 2 "[ .- 1 . + 2]" 1
488 1 26 ASN QD 1 29 ASN QD . . 3.660 2.294 1.935 2.806 . 0 0 "[ . 1 . 2]" 1
489 1 27 THR H 1 27 THR HB . . 3.770 3.528 3.365 3.613 . 0 0 "[ . 1 . 2]" 1
490 1 27 THR H 1 27 THR MG . . 3.030 2.207 1.928 2.625 . 0 0 "[ . 1 . 2]" 1
491 1 27 THR H 1 28 ALA H . . 3.360 2.947 2.778 3.191 . 0 0 "[ . 1 . 2]" 1
492 1 27 THR HA 1 27 THR HB . . 2.690 2.514 2.386 2.708 0.018 5 0 "[ . 1 . 2]" 1
493 1 27 THR HA 1 29 ASN H . . 4.290 3.511 3.195 3.848 . 0 0 "[ . 1 . 2]" 1
494 1 27 THR HB 1 28 ALA H . . 4.290 4.052 3.581 4.353 0.063 6 0 "[ . 1 . 2]" 1
495 1 27 THR MG 1 57 GLY H . . 4.810 3.855 2.256 4.886 0.076 3 0 "[ . 1 . 2]" 1
496 1 27 THR MG 1 57 GLY HA2 . . 3.510 3.554 2.366 4.240 0.730 14 5 "[ * ** 1 -+. 2]" 1
497 1 27 THR MG 1 57 GLY HA3 . . 4.150 2.616 2.094 3.598 . 0 0 "[ . 1 . 2]" 1
498 1 27 THR MG 1 58 CYS H . . 5.170 3.645 2.051 5.222 0.052 13 0 "[ . 1 . 2]" 1
499 1 28 ALA H 1 28 ALA MB . . 2.860 2.212 2.169 2.239 . 0 0 "[ . 1 . 2]" 1
500 1 28 ALA H 1 29 ASN H . . 3.080 2.770 2.638 2.960 . 0 0 "[ . 1 . 2]" 1
501 1 28 ALA MB 1 29 ASN H . . 3.480 2.983 2.567 3.321 . 0 0 "[ . 1 . 2]" 1
502 1 28 ALA MB 1 29 ASN QD . . 4.500 3.334 2.726 4.214 . 0 0 "[ . 1 . 2]" 1
503 1 28 ALA MB 1 30 CYS H . . 4.720 4.582 4.243 4.813 0.093 10 0 "[ . 1 . 2]" 1
504 1 29 ASN H 1 29 ASN HB2 . . 3.430 3.308 2.405 4.192 0.762 1 6 "[+ * .- 1 * ** 2]" 1
505 1 29 ASN H 1 29 ASN QD . . 4.610 3.466 2.244 4.333 . 0 0 "[ . 1 . 2]" 1
506 1 29 ASN H 1 30 CYS H . . 2.660 1.987 1.778 2.714 0.054 12 0 "[ . 1 . 2]" 1
507 1 29 ASN H 1 30 CYS HB3 . . 4.660 4.018 3.539 4.469 . 0 0 "[ . 1 . 2]" 1
508 1 29 ASN HB2 1 29 ASN QD . . 3.350 2.585 2.094 3.401 0.051 15 0 "[ . 1 . 2]" 1
509 1 29 ASN QD 1 30 CYS H . . 4.700 3.855 2.652 4.576 . 0 0 "[ . 1 . 2]" 1
510 1 30 CYS H 1 30 CYS HB3 . . 3.210 2.434 2.156 2.701 . 0 0 "[ . 1 . 2]" 1
511 1 30 CYS HA 1 30 CYS HB2 . . 2.870 2.370 2.233 2.494 . 0 0 "[ . 1 . 2]" 1
512 1 30 CYS HA 1 31 GLY H . . 2.930 2.325 2.072 2.787 . 0 0 "[ . 1 . 2]" 1
513 1 30 CYS HA 1 34 CYS HB2 . . 4.360 3.166 2.242 3.732 . 0 0 "[ . 1 . 2]" 1
514 1 30 CYS HA 1 34 CYS HB3 . . 4.340 2.861 2.427 3.099 . 0 0 "[ . 1 . 2]" 1
515 1 30 CYS HA 1 51 ALA MB . . 4.910 4.398 3.800 5.002 0.092 17 0 "[ . 1 . 2]" 1
516 1 30 CYS HB2 1 51 ALA MB . . 3.900 3.397 2.846 4.011 0.111 2 0 "[ . 1 . 2]" 1
517 1 31 GLY H 1 34 CYS HB2 . . 4.550 3.649 2.837 4.572 0.022 12 0 "[ . 1 . 2]" 1
518 1 31 GLY H 1 34 CYS HB3 . . 3.970 2.607 1.993 3.791 . 0 0 "[ . 1 . 2]" 1
519 1 31 GLY H 1 51 ALA MB . . 3.650 3.030 2.205 3.522 . 0 0 "[ . 1 . 2]" 1
520 1 31 GLY H 1 58 CYS HB3 . . 4.670 3.419 2.851 3.866 . 0 0 "[ . 1 . 2]" 1
521 1 31 GLY H 1 59 ASP H . . 4.830 4.551 4.201 4.906 0.076 7 0 "[ . 1 . 2]" 1
522 1 31 GLY HA2 1 32 THR H . . 3.240 2.574 2.483 2.700 . 0 0 "[ . 1 . 2]" 1
523 1 31 GLY HA2 1 33 ALA H . . 4.840 4.839 4.575 4.916 0.076 10 0 "[ . 1 . 2]" 1
524 1 31 GLY HA2 1 51 ALA MB . . 3.300 2.790 2.191 3.046 . 0 0 "[ . 1 . 2]" 1
525 1 31 GLY HA2 1 58 CYS HB2 . . 3.940 3.485 3.074 3.979 0.039 12 0 "[ . 1 . 2]" 1
526 1 31 GLY HA2 1 58 CYS HB3 . . 3.340 2.391 2.080 2.812 . 0 0 "[ . 1 . 2]" 1
527 1 31 GLY HA2 1 59 ASP H . . 4.120 3.045 2.253 3.776 . 0 0 "[ . 1 . 2]" 1
528 1 31 GLY HA3 1 32 THR H . . 3.050 2.550 2.363 2.654 . 0 0 "[ . 1 . 2]" 1
529 1 31 GLY HA3 1 32 THR HA . . 4.920 4.654 4.585 4.737 . 0 0 "[ . 1 . 2]" 1
530 1 31 GLY HA3 1 51 ALA MB . . 4.250 4.213 3.591 4.340 0.090 5 0 "[ . 1 . 2]" 1
531 1 31 GLY HA3 1 58 CYS HB3 . . 3.670 3.173 2.582 3.710 0.040 16 0 "[ . 1 . 2]" 1
532 1 31 GLY HA3 1 59 ASP H . . 3.560 2.689 2.342 3.332 . 0 0 "[ . 1 . 2]" 1
533 1 32 THR H 1 32 THR HB . . 3.040 2.494 2.276 2.737 . 0 0 "[ . 1 . 2]" 1
534 1 32 THR H 1 32 THR MG . . 4.630 3.745 3.702 3.836 . 0 0 "[ . 1 . 2]" 1
535 1 32 THR H 1 33 ALA H . . 3.370 2.942 2.746 3.220 . 0 0 "[ . 1 . 2]" 1
536 1 32 THR H 1 33 ALA MB . . 5.060 4.608 4.481 4.941 . 0 0 "[ . 1 . 2]" 1
537 1 32 THR H 1 48 LEU MD2 . . 4.510 3.943 3.709 4.738 0.228 19 0 "[ . 1 . 2]" 1
538 1 32 THR H 1 60 MET HA . . 3.120 2.712 1.805 3.181 0.061 13 0 "[ . 1 . 2]" 1
539 1 32 THR HA 1 32 THR MG . . 3.070 2.503 2.393 2.658 . 0 0 "[ . 1 . 2]" 1
540 1 32 THR HA 1 35 CYS H . . 4.040 3.560 3.407 3.823 . 0 0 "[ . 1 . 2]" 1
541 1 32 THR HA 1 35 CYS QB . . 3.210 2.760 2.340 3.218 0.008 20 0 "[ . 1 . 2]" 1
542 1 32 THR HA 1 36 ASP H . . 4.110 4.096 3.838 4.180 0.070 4 0 "[ . 1 . 2]" 1
543 1 32 THR HA 1 48 LEU MD2 . . 2.810 2.063 1.921 3.335 0.525 19 1 "[ . 1 . +2]" 1
544 1 32 THR HA 1 61 GLU H . . 5.020 4.956 4.376 5.108 0.088 15 0 "[ . 1 . 2]" 1
545 1 32 THR HB 1 33 ALA H . . 2.830 2.671 2.341 2.882 0.052 13 0 "[ . 1 . 2]" 1
546 1 32 THR HB 1 33 ALA MB . . 4.310 4.051 3.628 4.272 . 0 0 "[ . 1 . 2]" 1
547 1 32 THR HB 1 48 LEU MD2 . . 4.360 3.884 3.739 4.056 . 0 0 "[ . 1 . 2]" 1
548 1 32 THR HB 1 60 MET HA . . 4.280 3.412 2.605 4.328 0.048 12 0 "[ . 1 . 2]" 1
549 1 32 THR HB 1 61 GLU H . . 3.610 2.866 1.883 3.691 0.081 2 0 "[ . 1 . 2]" 1
550 1 32 THR HB 1 61 GLU QB . . 4.000 3.315 2.074 3.990 . 0 0 "[ . 1 . 2]" 1
551 1 32 THR HB 1 61 GLU QG . . 3.810 3.168 2.034 3.889 0.079 12 0 "[ . 1 . 2]" 1
552 1 32 THR MG 1 33 ALA H . . 4.100 3.488 3.289 3.765 . 0 0 "[ . 1 . 2]" 1
553 1 32 THR MG 1 33 ALA HA . . 4.200 3.601 3.288 3.981 . 0 0 "[ . 1 . 2]" 1
554 1 32 THR MG 1 36 ASP H . . 4.680 4.084 3.840 4.332 . 0 0 "[ . 1 . 2]" 1
555 1 32 THR MG 1 36 ASP HB2 . . 4.370 3.501 3.075 4.084 . 0 0 "[ . 1 . 2]" 1
556 1 32 THR MG 1 48 LEU HA . . 5.090 5.038 4.586 5.178 0.088 6 0 "[ . 1 . 2]" 1
557 1 32 THR MG 1 48 LEU MD1 . . 4.510 2.874 2.206 3.302 . 0 0 "[ . 1 . 2]" 1
558 1 32 THR MG 1 48 LEU MD2 . . 3.230 2.055 1.944 2.159 . 0 0 "[ . 1 . 2]" 1
559 1 32 THR MG 1 48 LEU HG . . 4.810 4.199 3.171 4.530 . 0 0 "[ . 1 . 2]" 1
560 1 32 THR MG 1 61 GLU H . . 4.200 3.426 2.725 4.275 0.075 12 0 "[ . 1 . 2]" 1
561 1 32 THR MG 1 61 GLU QB . . 3.980 3.044 2.207 3.804 . 0 0 "[ . 1 . 2]" 1
562 1 33 ALA H 1 33 ALA MB . . 2.830 2.247 2.196 2.325 . 0 0 "[ . 1 . 2]" 1
563 1 33 ALA H 1 34 CYS H . . 3.170 2.708 2.521 2.897 . 0 0 "[ . 1 . 2]" 1
564 1 33 ALA H 1 35 CYS QB . . 5.390 5.098 4.657 5.401 0.011 20 0 "[ . 1 . 2]" 1
565 1 33 ALA H 1 48 LEU MD2 . . 4.880 4.881 4.707 5.629 0.749 19 1 "[ . 1 . +2]" 1
566 1 33 ALA HA 1 36 ASP H . . 3.680 3.339 2.912 3.675 . 0 0 "[ . 1 . 2]" 1
567 1 33 ALA HA 1 36 ASP HB2 . . 3.150 3.135 2.412 3.832 0.682 7 3 "[ . + 1- .* 2]" 1
568 1 33 ALA HA 1 36 ASP HB3 . . 3.930 3.117 2.127 3.996 0.066 4 0 "[ . 1 . 2]" 1
569 1 33 ALA HA 1 37 SER H . . 4.630 4.272 3.647 4.704 0.074 15 0 "[ . 1 . 2]" 1
570 1 33 ALA MB 1 34 CYS H . . 3.230 2.735 2.460 2.973 . 0 0 "[ . 1 . 2]" 1
571 1 33 ALA MB 1 34 CYS HB2 . . 4.920 4.297 4.036 4.511 . 0 0 "[ . 1 . 2]" 1
572 1 33 ALA MB 1 34 CYS HB3 . . 5.320 4.884 4.536 5.201 . 0 0 "[ . 1 . 2]" 1
573 1 33 ALA MB 1 35 CYS H . . 5.140 4.723 4.467 4.878 . 0 0 "[ . 1 . 2]" 1
574 1 34 CYS H 1 34 CYS HB2 . . 2.960 2.530 2.217 2.758 . 0 0 "[ . 1 . 2]" 1
575 1 34 CYS H 1 34 CYS HB3 . . 3.150 2.573 2.284 2.782 . 0 0 "[ . 1 . 2]" 1
576 1 34 CYS H 1 35 CYS H . . 3.210 2.669 2.412 2.960 . 0 0 "[ . 1 . 2]" 1
577 1 34 CYS HB2 1 35 CYS H . . 3.770 3.725 3.488 3.854 0.084 9 0 "[ . 1 . 2]" 1
578 1 34 CYS HB3 1 35 CYS H . . 3.230 2.419 2.248 2.535 . 0 0 "[ . 1 . 2]" 1
579 1 35 CYS H 1 35 CYS QB . . 3.040 2.417 2.297 2.551 . 0 0 "[ . 1 . 2]" 1
580 1 35 CYS H 1 36 ASP H . . 3.320 2.857 2.640 3.016 . 0 0 "[ . 1 . 2]" 1
581 1 35 CYS HA 1 38 CYS HB2 . . 3.820 3.335 3.057 3.873 0.053 15 0 "[ . 1 . 2]" 1
582 1 35 CYS HA 1 39 PHE QD . . 3.110 2.434 2.285 2.651 . 0 0 "[ . 1 . 2]" 1
583 1 35 CYS HA 1 39 PHE QE . . 4.180 4.176 3.860 4.259 0.079 8 0 "[ . 1 . 2]" 1
584 1 35 CYS QB 1 36 ASP H . . 3.180 2.529 2.358 2.917 . 0 0 "[ . 1 . 2]" 1
585 1 35 CYS QB 1 44 ASN HD21 . . 4.040 2.981 2.566 3.553 . 0 0 "[ . 1 . 2]" 1
586 1 35 CYS QB 1 47 CYS H . . 4.510 4.546 4.375 4.589 0.079 17 0 "[ . 1 . 2]" 1
587 1 35 CYS QB 1 47 CYS HB2 . . 4.030 3.681 3.183 3.822 . 0 0 "[ . 1 . 2]" 1
588 1 35 CYS QB 1 48 LEU H . . 4.090 3.465 2.999 3.711 . 0 0 "[ . 1 . 2]" 1
589 1 35 CYS QB 1 48 LEU HA . . 4.350 3.972 3.432 4.402 0.052 5 0 "[ . 1 . 2]" 1
590 1 35 CYS QB 1 48 LEU HB3 . . 5.350 5.104 4.597 5.421 0.071 19 0 "[ . 1 . 2]" 1
591 1 35 CYS QB 1 48 LEU MD1 . . 4.080 3.730 1.934 4.155 0.075 7 0 "[ . 1 . 2]" 1
592 1 35 CYS QB 1 48 LEU MD2 . . 3.060 2.397 2.123 4.012 0.952 19 1 "[ . 1 . +2]" 1
593 1 35 CYS QB 1 48 LEU HG . . 3.460 2.933 2.307 3.513 0.053 7 0 "[ . 1 . 2]" 1
594 1 36 ASP H 1 36 ASP HB2 . . 3.010 2.205 2.055 2.397 . 0 0 "[ . 1 . 2]" 1
595 1 36 ASP H 1 36 ASP HB3 . . 3.420 2.909 2.416 3.492 0.072 10 0 "[ . 1 . 2]" 1
596 1 36 ASP H 1 37 SER H . . 3.160 2.792 2.543 2.927 . 0 0 "[ . 1 . 2]" 1
597 1 36 ASP H 1 44 ASN HD22 . . 4.230 3.140 2.728 3.824 . 0 0 "[ . 1 . 2]" 1
598 1 36 ASP HA 1 44 ASN HB2 . . 4.640 4.046 3.658 4.692 0.052 20 0 "[ . 1 . 2]" 1
599 1 36 ASP HA 1 44 ASN HD21 . . 3.110 2.223 1.968 2.642 . 0 0 "[ . 1 . 2]" 1
600 1 36 ASP HA 1 44 ASN HD22 . . 2.880 2.390 2.095 2.781 . 0 0 "[ . 1 . 2]" 1
601 1 36 ASP HB2 1 37 SER H . . 3.800 3.818 3.051 4.275 0.475 6 0 "[ . 1 . 2]" 1
602 1 36 ASP HB3 1 37 SER H . . 4.200 3.268 2.365 3.965 . 0 0 "[ . 1 . 2]" 1
603 1 37 SER H 1 37 SER QB . . 3.010 2.395 2.215 2.642 . 0 0 "[ . 1 . 2]" 1
604 1 37 SER H 1 38 CYS H . . 3.010 2.532 2.019 2.987 . 0 0 "[ . 1 . 2]" 1
605 1 37 SER H 1 39 PHE H . . 4.580 3.997 3.360 4.406 . 0 0 "[ . 1 . 2]" 1
606 1 37 SER QB 1 38 CYS H . . 3.620 3.345 2.365 3.705 0.085 9 0 "[ . 1 . 2]" 1
607 1 38 CYS H 1 38 CYS HB2 . . 3.210 2.520 2.336 2.862 . 0 0 "[ . 1 . 2]" 1
608 1 38 CYS H 1 38 CYS HB3 . . 3.590 3.640 3.383 3.676 0.086 9 0 "[ . 1 . 2]" 1
609 1 38 CYS H 1 39 PHE H . . 3.030 1.997 1.770 2.549 . 0 0 "[ . 1 . 2]" 1
610 1 38 CYS H 1 39 PHE QD . . 4.650 4.207 3.822 4.510 . 0 0 "[ . 1 . 2]" 1
611 1 38 CYS HB2 1 39 PHE H . . 4.130 3.380 3.068 3.993 . 0 0 "[ . 1 . 2]" 1
612 1 38 CYS HB2 1 39 PHE QD . . 3.660 3.201 2.609 3.751 0.091 1 0 "[ . 1 . 2]" 1
613 1 38 CYS HB3 1 39 PHE H . . 4.760 3.976 3.661 4.182 . 0 0 "[ . 1 . 2]" 1
614 1 38 CYS HB3 1 39 PHE QD . . 3.980 3.672 2.751 3.968 . 0 0 "[ . 1 . 2]" 1
615 1 38 CYS HB3 1 39 PHE QE . . 4.670 3.938 3.402 4.335 . 0 0 "[ . 1 . 2]" 1
616 1 38 CYS HB3 1 39 PHE HZ . . 5.290 4.907 4.512 5.326 0.036 14 0 "[ . 1 . 2]" 1
617 1 39 PHE H 1 39 PHE HB2 . . 3.700 2.685 2.409 2.872 . 0 0 "[ . 1 . 2]" 1
618 1 39 PHE H 1 39 PHE QD . . 3.970 3.595 3.074 3.804 . 0 0 "[ . 1 . 2]" 1
619 1 39 PHE H 1 44 ASN HD21 . . 4.660 3.684 3.324 4.200 . 0 0 "[ . 1 . 2]" 1
620 1 39 PHE HA 1 39 PHE QD . . 3.700 2.601 2.370 2.905 . 0 0 "[ . 1 . 2]" 1
621 1 39 PHE HA 1 40 GLU H . . 2.850 2.247 2.151 2.426 . 0 0 "[ . 1 . 2]" 1
622 1 39 PHE HA 1 40 GLU HB2 . . 5.100 4.664 4.502 4.894 . 0 0 "[ . 1 . 2]" 1
623 1 39 PHE HA 1 40 GLU QG . . 4.900 3.525 3.193 3.696 . 0 0 "[ . 1 . 2]" 1
624 1 39 PHE HB2 1 40 GLU H . . 3.990 3.998 3.790 4.066 0.076 12 0 "[ . 1 . 2]" 1
625 1 39 PHE HB2 1 44 ASN H . . 4.450 4.200 4.027 4.504 0.054 17 0 "[ . 1 . 2]" 1
626 1 39 PHE HB2 1 44 ASN HA . . 3.130 2.454 2.256 2.722 . 0 0 "[ . 1 . 2]" 1
627 1 39 PHE HB2 1 44 ASN HD21 . . 4.030 3.175 3.005 3.400 . 0 0 "[ . 1 . 2]" 1
628 1 39 PHE HB3 1 40 GLU H . . 3.490 2.931 2.664 3.098 . 0 0 "[ . 1 . 2]" 1
629 1 39 PHE HB3 1 43 GLY HA3 . . 4.120 2.937 2.516 3.679 . 0 0 "[ . 1 . 2]" 1
630 1 39 PHE HB3 1 44 ASN HA . . 2.930 2.718 2.169 2.987 0.057 12 0 "[ . 1 . 2]" 1
631 1 39 PHE HB3 1 44 ASN HB2 . . 4.230 3.747 3.255 4.122 . 0 0 "[ . 1 . 2]" 1
632 1 39 PHE HB3 1 44 ASN HD21 . . 4.080 4.144 4.042 4.162 0.082 3 0 "[ . 1 . 2]" 1
633 1 39 PHE QD 1 40 GLU H . . 4.510 3.785 3.613 3.973 . 0 0 "[ . 1 . 2]" 1
634 1 39 PHE QD 1 43 GLY HA2 . . 4.840 4.373 3.850 4.938 0.098 17 0 "[ . 1 . 2]" 1
635 1 39 PHE QD 1 43 GLY HA3 . . 4.210 3.422 3.116 4.188 . 0 0 "[ . 1 . 2]" 1
636 1 39 PHE QD 1 44 ASN HA . . 4.340 4.087 3.795 4.370 0.030 20 0 "[ . 1 . 2]" 1
637 1 39 PHE QD 1 47 CYS HB2 . . 4.150 2.882 2.678 3.315 . 0 0 "[ . 1 . 2]" 1
638 1 39 PHE QE 1 47 CYS HB2 . . 5.080 3.589 3.257 3.882 . 0 0 "[ . 1 . 2]" 1
639 1 40 GLU H 1 40 GLU HB2 . . 3.310 2.712 2.513 2.954 . 0 0 "[ . 1 . 2]" 1
640 1 40 GLU H 1 40 GLU HB3 . . 4.170 3.806 3.709 3.936 . 0 0 "[ . 1 . 2]" 1
641 1 40 GLU H 1 40 GLU QG . . 3.180 2.756 2.501 3.047 . 0 0 "[ . 1 . 2]" 1
642 1 40 GLU HA 1 40 GLU HB2 . . 2.950 3.020 3.003 3.034 0.084 17 0 "[ . 1 . 2]" 1
643 1 40 GLU HA 1 40 GLU HB3 . . 3.010 2.410 2.359 2.501 . 0 0 "[ . 1 . 2]" 1
644 1 40 GLU HA 1 41 LEU H . . 2.920 2.382 2.292 2.497 . 0 0 "[ . 1 . 2]" 1
645 1 40 GLU HA 1 41 LEU QD . . 4.570 4.296 3.672 4.402 . 0 0 "[ . 1 . 2]" 1
646 1 40 GLU HA 1 41 LEU HG . . 4.540 4.140 3.953 4.523 . 0 0 "[ . 1 . 2]" 1
647 1 40 GLU HA 1 44 ASN HA . . 4.300 4.366 4.288 4.384 0.084 1 0 "[ . 1 . 2]" 1
648 1 40 GLU HA 1 44 ASN HB2 . . 3.090 2.211 2.103 2.288 . 0 0 "[ . 1 . 2]" 1
649 1 40 GLU HA 1 44 ASN HB3 . . 3.640 3.533 3.027 3.714 0.074 12 0 "[ . 1 . 2]" 1
650 1 40 GLU HA 1 44 ASN HD21 . . 4.830 3.622 3.246 4.332 . 0 0 "[ . 1 . 2]" 1
651 1 40 GLU HB2 1 40 GLU QG . . 2.530 2.201 2.070 2.335 . 0 0 "[ . 1 . 2]" 1
652 1 40 GLU HB2 1 41 LEU H . . 3.380 3.410 3.028 3.452 0.072 7 0 "[ . 1 . 2]" 1
653 1 40 GLU HB2 1 41 LEU QD . . 3.560 3.340 1.820 3.521 . 0 0 "[ . 1 . 2]" 1
654 1 40 GLU HB3 1 41 LEU H . . 3.050 2.413 2.170 2.521 . 0 0 "[ . 1 . 2]" 1
655 1 40 GLU HB3 1 41 LEU QD . . 4.580 3.178 2.630 3.428 . 0 0 "[ . 1 . 2]" 1
656 1 40 GLU HB3 1 41 LEU HG . . 3.750 2.453 2.191 2.867 . 0 0 "[ . 1 . 2]" 1
657 1 40 GLU QG 1 41 LEU QD . . 5.200 4.384 3.221 4.676 . 0 0 "[ . 1 . 2]" 1
658 1 40 GLU QG 1 41 LEU HG . . 4.630 4.377 3.935 4.641 0.011 8 0 "[ . 1 . 2]" 1
659 1 41 LEU H 1 41 LEU HA . . 2.660 2.258 1.987 2.312 . 0 0 "[ . 1 . 2]" 1
660 1 41 LEU H 1 41 LEU HB2 . . 4.140 3.525 3.350 3.900 . 0 0 "[ . 1 . 2]" 1
661 1 41 LEU H 1 41 LEU QD . . 3.350 2.576 2.224 2.757 . 0 0 "[ . 1 . 2]" 1
662 1 41 LEU H 1 41 LEU HG . . 3.270 2.595 2.388 2.846 . 0 0 "[ . 1 . 2]" 1
663 1 41 LEU H 1 44 ASN HB3 . . 4.180 3.476 3.045 3.805 . 0 0 "[ . 1 . 2]" 1
664 1 41 LEU HA 1 41 LEU QD . . 2.800 2.217 2.121 2.754 . 0 0 "[ . 1 . 2]" 1
665 1 41 LEU HB2 1 42 THR H . . 2.820 2.152 1.962 2.411 . 0 0 "[ . 1 . 2]" 1
666 1 41 LEU HB2 1 43 GLY H . . 4.190 3.262 2.901 3.562 . 0 0 "[ . 1 . 2]" 1
667 1 41 LEU HB3 1 42 THR H . . 2.650 2.168 1.950 2.298 . 0 0 "[ . 1 . 2]" 1
668 1 41 LEU HB3 1 42 THR HA . . 4.530 4.553 4.466 4.608 0.078 20 0 "[ . 1 . 2]" 1
669 1 41 LEU HB3 1 43 GLY H . . 4.630 4.389 3.984 4.678 0.048 19 0 "[ . 1 . 2]" 1
670 1 41 LEU QD 1 42 THR H . . 3.940 3.510 3.388 3.588 . 0 0 "[ . 1 . 2]" 1
671 1 42 THR H 1 42 THR HB . . 3.020 2.528 2.209 2.818 . 0 0 "[ . 1 . 2]" 1
672 1 42 THR H 1 42 THR MG . . 4.280 3.755 3.692 3.797 . 0 0 "[ . 1 . 2]" 1
673 1 42 THR H 1 43 GLY H . . 3.390 2.676 2.526 2.819 . 0 0 "[ . 1 . 2]" 1
674 1 42 THR HA 1 42 THR MG . . 3.040 2.412 2.231 2.681 . 0 0 "[ . 1 . 2]" 1
675 1 42 THR HA 1 44 ASN H . . 4.590 4.306 4.119 4.525 . 0 0 "[ . 1 . 2]" 1
676 1 42 THR HA 1 45 THR H . . 3.690 3.269 2.982 3.586 . 0 0 "[ . 1 . 2]" 1
677 1 42 THR HA 1 45 THR HB . . 3.220 2.806 2.284 3.272 0.052 2 0 "[ . 1 . 2]" 1
678 1 42 THR HA 1 45 THR MG . . 4.480 3.945 3.526 4.424 . 0 0 "[ . 1 . 2]" 1
679 1 42 THR HA 1 46 MET H . . 4.380 4.076 3.808 4.450 0.070 14 0 "[ . 1 . 2]" 1
680 1 42 THR HB 1 43 GLY H . . 3.460 3.043 2.623 3.358 . 0 0 "[ . 1 . 2]" 1
681 1 42 THR MG 1 43 GLY H . . 4.360 3.880 3.624 4.094 . 0 0 "[ . 1 . 2]" 1
682 1 42 THR MG 1 43 GLY HA2 . . 4.700 4.010 3.642 4.281 . 0 0 "[ . 1 . 2]" 1
683 1 42 THR MG 1 43 GLY HA3 . . 5.300 4.956 4.563 5.228 . 0 0 "[ . 1 . 2]" 1
684 1 42 THR MG 1 45 THR HB . . 4.040 3.346 2.873 3.939 . 0 0 "[ . 1 . 2]" 1
685 1 42 THR MG 1 46 MET H . . 3.970 3.885 3.616 4.065 0.095 2 0 "[ . 1 . 2]" 1
686 1 42 THR MG 1 46 MET QG . . 3.680 2.638 2.237 3.066 . 0 0 "[ . 1 . 2]" 1
687 1 43 GLY H 1 44 ASN H . . 3.430 2.552 2.380 2.794 . 0 0 "[ . 1 . 2]" 1
688 1 43 GLY HA2 1 46 MET H . . 4.180 3.496 3.264 4.016 . 0 0 "[ . 1 . 2]" 1
689 1 43 GLY HA2 1 46 MET QG . . 4.740 3.558 2.728 4.676 . 0 0 "[ . 1 . 2]" 1
690 1 44 ASN H 1 44 ASN HB2 . . 3.190 2.522 2.376 2.771 . 0 0 "[ . 1 . 2]" 1
691 1 44 ASN H 1 44 ASN HB3 . . 3.030 2.594 2.321 2.737 . 0 0 "[ . 1 . 2]" 1
692 1 44 ASN H 1 45 THR H . . 3.150 2.760 2.694 2.849 . 0 0 "[ . 1 . 2]" 1
693 1 44 ASN H 1 45 THR HA . . 5.250 5.320 5.309 5.333 0.083 15 0 "[ . 1 . 2]" 1
694 1 44 ASN HA 1 44 ASN HB2 . . 3.060 2.473 2.320 2.548 . 0 0 "[ . 1 . 2]" 1
695 1 44 ASN HA 1 44 ASN HD21 . . 3.430 2.548 2.217 2.779 . 0 0 "[ . 1 . 2]" 1
696 1 44 ASN HA 1 44 ASN HD22 . . 4.500 3.697 3.498 4.025 . 0 0 "[ . 1 . 2]" 1
697 1 44 ASN HA 1 47 CYS HB2 . . 3.920 3.687 3.360 3.951 0.031 20 0 "[ . 1 . 2]" 1
698 1 44 ASN HA 1 47 CYS HB3 . . 3.490 2.817 2.580 3.191 . 0 0 "[ . 1 . 2]" 1
699 1 44 ASN HB2 1 44 ASN HD21 . . 3.280 2.351 2.225 2.566 . 0 0 "[ . 1 . 2]" 1
700 1 44 ASN HB2 1 44 ASN HD22 . . 3.780 3.524 3.434 3.633 . 0 0 "[ . 1 . 2]" 1
701 1 44 ASN HB3 1 45 THR H . . 3.280 2.362 2.164 2.528 . 0 0 "[ . 1 . 2]" 1
702 1 44 ASN HD21 1 48 LEU MD1 . . 4.890 4.504 3.113 4.978 0.088 12 0 "[ . 1 . 2]" 1
703 1 44 ASN HD21 1 48 LEU MD2 . . 4.920 4.599 4.015 4.992 0.072 6 0 "[ . 1 . 2]" 1
704 1 45 THR H 1 45 THR HB . . 3.000 2.752 2.414 3.048 0.048 13 0 "[ . 1 . 2]" 1
705 1 45 THR H 1 45 THR MG . . 3.860 3.715 3.577 3.798 . 0 0 "[ . 1 . 2]" 1
706 1 45 THR H 1 46 MET H . . 3.250 3.004 2.871 3.161 . 0 0 "[ . 1 . 2]" 1
707 1 45 THR H 1 47 CYS H . . 4.890 4.388 4.259 4.608 . 0 0 "[ . 1 . 2]" 1
708 1 45 THR HA 1 45 THR MG . . 3.030 2.362 2.216 2.635 . 0 0 "[ . 1 . 2]" 1
709 1 45 THR HA 1 48 LEU H . . 3.810 3.621 3.215 3.826 0.016 20 0 "[ . 1 . 2]" 1
710 1 45 THR HA 1 48 LEU HB2 . . 3.480 2.705 2.072 2.875 . 0 0 "[ . 1 . 2]" 1
711 1 45 THR HA 1 48 LEU HB3 . . 4.380 4.281 3.643 4.446 0.066 2 0 "[ . 1 . 2]" 1
712 1 45 THR HA 1 48 LEU MD1 . . 3.340 2.576 2.219 2.843 . 0 0 "[ . 1 . 2]" 1
713 1 45 THR HA 1 48 LEU HG . . 4.200 3.623 2.874 4.300 0.100 19 0 "[ . 1 . 2]" 1
714 1 45 THR HA 1 49 LEU QD . . 4.660 4.350 3.727 4.774 0.114 15 0 "[ . 1 . 2]" 1
715 1 45 THR HB 1 46 MET H . . 3.060 2.561 2.276 2.805 . 0 0 "[ . 1 . 2]" 1
716 1 45 THR HB 1 46 MET QG . . 4.350 3.432 2.861 4.130 . 0 0 "[ . 1 . 2]" 1
717 1 45 THR HB 1 49 LEU H . . 5.460 5.508 5.277 5.556 0.096 3 0 "[ . 1 . 2]" 1
718 1 45 THR MG 1 46 MET H . . 3.930 3.681 3.264 4.008 0.078 12 0 "[ . 1 . 2]" 1
719 1 45 THR MG 1 46 MET HA . . 4.560 3.824 3.227 4.364 . 0 0 "[ . 1 . 2]" 1
720 1 45 THR MG 1 46 MET QG . . 4.950 3.939 3.251 4.288 . 0 0 "[ . 1 . 2]" 1
721 1 45 THR MG 1 49 LEU H . . 4.550 4.117 3.740 4.482 . 0 0 "[ . 1 . 2]" 1
722 1 46 MET H 1 46 MET HB2 . . 3.140 2.531 2.342 2.858 . 0 0 "[ . 1 . 2]" 1
723 1 46 MET H 1 46 MET HB3 . . 3.710 3.638 3.517 3.776 0.066 14 0 "[ . 1 . 2]" 1
724 1 46 MET H 1 46 MET QG . . 3.130 2.492 2.219 2.824 . 0 0 "[ . 1 . 2]" 1
725 1 46 MET H 1 47 CYS H . . 3.180 2.748 2.649 2.876 . 0 0 "[ . 1 . 2]" 1
726 1 46 MET H 1 49 LEU QD . . 4.710 4.628 4.249 4.832 0.122 16 0 "[ . 1 . 2]" 1
727 1 46 MET HA 1 46 MET QG . . 3.220 2.375 2.094 3.024 . 0 0 "[ . 1 . 2]" 1
728 1 46 MET HA 1 48 LEU H . . 4.900 4.633 4.381 4.933 0.033 19 0 "[ . 1 . 2]" 1
729 1 46 MET HB2 1 47 CYS H . . 3.290 2.907 2.687 3.353 0.063 14 0 "[ . 1 . 2]" 1
730 1 46 MET QG 1 47 CYS H . . 4.970 4.255 4.078 4.421 . 0 0 "[ . 1 . 2]" 1
731 1 47 CYS H 1 47 CYS HB2 . . 3.000 2.474 2.302 2.583 . 0 0 "[ . 1 . 2]" 1
732 1 47 CYS H 1 47 CYS HB3 . . 3.110 2.469 2.404 2.606 . 0 0 "[ . 1 . 2]" 1
733 1 47 CYS H 1 48 LEU H . . 3.010 2.801 2.706 2.991 . 0 0 "[ . 1 . 2]" 1
734 1 47 CYS HA 1 50 GLN HB2 . . 4.220 3.880 3.377 4.297 0.077 19 0 "[ . 1 . 2]" 1
735 1 47 CYS HB2 1 48 LEU H . . 3.790 3.827 3.581 3.857 0.067 10 0 "[ . 1 . 2]" 1
736 1 47 CYS HB3 1 48 LEU H . . 3.150 2.467 2.082 2.537 . 0 0 "[ . 1 . 2]" 1
737 1 47 CYS HB3 1 48 LEU MD1 . . 5.230 4.828 2.314 5.181 . 0 0 "[ . 1 . 2]" 1
738 1 47 CYS HB3 1 48 LEU HG . . 4.230 3.624 3.420 4.316 0.086 19 0 "[ . 1 . 2]" 1
739 1 48 LEU H 1 48 LEU HB2 . . 2.960 2.448 2.355 2.541 . 0 0 "[ . 1 . 2]" 1
740 1 48 LEU H 1 48 LEU HB3 . . 3.480 3.545 3.436 3.558 0.078 14 0 "[ . 1 . 2]" 1
741 1 48 LEU H 1 48 LEU MD1 . . 3.790 3.525 1.862 3.811 0.021 7 0 "[ . 1 . 2]" 1
742 1 48 LEU H 1 48 LEU MD2 . . 3.850 3.324 2.881 3.805 . 0 0 "[ . 1 . 2]" 1
743 1 48 LEU H 1 48 LEU HG . . 2.910 2.321 2.146 3.006 0.096 19 0 "[ . 1 . 2]" 1
744 1 48 LEU H 1 49 LEU H . . 3.070 2.836 2.751 3.142 0.072 19 0 "[ . 1 . 2]" 1
745 1 48 LEU HA 1 48 LEU HB3 . . 2.790 2.513 2.463 2.578 . 0 0 "[ . 1 . 2]" 1
746 1 48 LEU HA 1 48 LEU MD1 . . 3.960 3.816 2.945 3.915 . 0 0 "[ . 1 . 2]" 1
747 1 48 LEU HA 1 48 LEU MD2 . . 2.880 2.169 2.051 3.634 0.754 19 1 "[ . 1 . +2]" 1
748 1 48 LEU HA 1 48 LEU HG . . 3.480 3.073 2.127 3.357 . 0 0 "[ . 1 . 2]" 1
749 1 48 LEU HA 1 49 LEU H . . 3.520 3.567 3.535 3.589 0.069 3 0 "[ . 1 . 2]" 1
750 1 48 LEU HA 1 51 ALA H . . 3.780 3.618 3.299 3.831 0.051 14 0 "[ . 1 . 2]" 1
751 1 48 LEU HA 1 52 GLY H . . 4.200 3.574 3.155 4.237 0.037 17 0 "[ . 1 . 2]" 1
752 1 48 LEU HB2 1 48 LEU MD1 . . 3.100 2.368 2.285 2.710 . 0 0 "[ . 1 . 2]" 1
753 1 48 LEU HB2 1 49 LEU H . . 3.260 2.461 2.345 2.654 . 0 0 "[ . 1 . 2]" 1
754 1 48 LEU HB3 1 48 LEU MD1 . . 3.210 2.431 2.291 3.337 0.127 19 0 "[ . 1 . 2]" 1
755 1 48 LEU HB3 1 48 LEU MD2 . . 3.550 2.461 2.267 2.596 . 0 0 "[ . 1 . 2]" 1
756 1 48 LEU HB3 1 49 LEU H . . 3.350 3.407 3.342 3.426 0.076 5 0 "[ . 1 . 2]" 1
757 1 49 LEU H 1 49 LEU HA . . 2.910 2.791 2.749 2.821 . 0 0 "[ . 1 . 2]" 1
758 1 49 LEU H 1 49 LEU HB2 . . 2.710 2.130 2.006 2.215 . 0 0 "[ . 1 . 2]" 1
759 1 49 LEU H 1 49 LEU QD . . 3.600 3.145 2.624 3.568 . 0 0 "[ . 1 . 2]" 1
760 1 49 LEU HA 1 49 LEU HG . . 3.190 2.283 2.074 2.440 . 0 0 "[ . 1 . 2]" 1
761 1 49 LEU HA 1 52 GLY H . . 4.350 4.098 3.732 4.403 0.053 5 0 "[ . 1 . 2]" 1
762 1 49 LEU HB3 1 50 GLN H . . 3.040 2.973 2.537 3.119 0.079 2 0 "[ . 1 . 2]" 1
763 1 49 LEU HB3 1 50 GLN HA . . 4.790 3.983 3.739 4.226 . 0 0 "[ . 1 . 2]" 1
764 1 49 LEU QD 1 50 GLN HA . . 5.500 4.598 3.990 5.123 . 0 0 "[ . 1 . 2]" 1
765 1 50 GLN H 1 50 GLN HB2 . . 3.020 2.440 2.262 2.594 . 0 0 "[ . 1 . 2]" 1
766 1 50 GLN H 1 50 GLN HB3 . . 2.750 2.560 2.461 2.695 . 0 0 "[ . 1 . 2]" 1
767 1 50 GLN H 1 50 GLN HG2 . . 4.780 4.593 4.226 4.674 . 0 0 "[ . 1 . 2]" 1
768 1 50 GLN H 1 50 GLN HG3 . . 4.460 4.499 4.431 4.527 0.067 15 0 "[ . 1 . 2]" 1
769 1 50 GLN H 1 51 ALA H . . 2.950 2.595 2.388 2.770 . 0 0 "[ . 1 . 2]" 1
770 1 50 GLN H 1 52 GLY H . . 4.600 4.200 3.835 4.457 . 0 0 "[ . 1 . 2]" 1
771 1 50 GLN HA 1 53 ALA MB . . 3.330 2.694 2.033 3.437 0.107 19 0 "[ . 1 . 2]" 1
772 1 50 GLN HB2 1 51 ALA H . . 3.850 3.746 3.316 3.912 0.062 7 0 "[ . 1 . 2]" 1
773 1 50 GLN HB3 1 51 ALA H . . 3.290 2.487 2.141 2.682 . 0 0 "[ . 1 . 2]" 1
774 1 50 GLN HE21 1 50 GLN HG3 . . 3.530 2.412 2.182 3.601 0.071 20 0 "[ . 1 . 2]" 1
775 1 50 GLN HE21 1 53 ALA MB . . 4.800 3.702 2.559 4.888 0.088 4 0 "[ . 1 . 2]" 1
776 1 50 GLN HE22 1 53 ALA MB . . 4.810 3.874 2.705 4.668 . 0 0 "[ . 1 . 2]" 1
777 1 50 GLN HG2 1 51 ALA H . . 4.730 4.680 4.526 4.816 0.086 19 0 "[ . 1 . 2]" 1
778 1 51 ALA H 1 51 ALA MB . . 2.910 2.221 2.175 2.265 . 0 0 "[ . 1 . 2]" 1
779 1 51 ALA H 1 52 GLY H . . 3.060 2.833 2.651 3.059 . 0 0 "[ . 1 . 2]" 1
780 1 51 ALA H 1 53 ALA H . . 4.700 4.283 3.967 4.727 0.027 4 0 "[ . 1 . 2]" 1
781 1 51 ALA HA 1 53 ALA H . . 4.540 4.000 3.545 4.431 . 0 0 "[ . 1 . 2]" 1
782 1 51 ALA HA 1 58 CYS HB2 . . 4.550 3.836 2.450 4.586 0.036 13 0 "[ . 1 . 2]" 1
783 1 51 ALA MB 1 52 GLY H . . 3.450 2.471 2.123 3.137 . 0 0 "[ . 1 . 2]" 1
784 1 51 ALA MB 1 52 GLY HA3 . . 4.880 3.996 3.630 4.445 . 0 0 "[ . 1 . 2]" 1
785 1 51 ALA MB 1 58 CYS HB2 . . 3.800 2.947 2.151 3.801 0.001 13 0 "[ . 1 . 2]" 1
786 1 51 ALA MB 1 58 CYS HB3 . . 3.720 2.933 2.499 3.797 0.077 13 0 "[ . 1 . 2]" 1
787 1 52 GLY H 1 52 GLY HA3 . . 2.870 2.315 2.227 2.402 . 0 0 "[ . 1 . 2]" 1
788 1 52 GLY H 1 53 ALA H . . 3.200 2.906 2.547 3.258 0.058 4 0 "[ . 1 . 2]" 1
789 1 52 GLY H 1 53 ALA MB . . 5.040 4.355 3.833 4.558 . 0 0 "[ . 1 . 2]" 1
790 1 52 GLY HA2 1 60 MET QG . . 3.610 3.147 2.236 3.702 0.092 10 0 "[ . 1 . 2]" 1
791 1 52 GLY HA3 1 60 MET QG . . 4.200 3.279 2.394 4.013 . 0 0 "[ . 1 . 2]" 1
792 1 53 ALA H 1 53 ALA MB . . 2.810 2.264 2.102 2.581 . 0 0 "[ . 1 . 2]" 1
793 1 53 ALA H 1 54 ALA H . . 3.880 3.236 2.032 3.978 0.098 3 0 "[ . 1 . 2]" 1
794 1 53 ALA MB 1 54 ALA H . . 3.350 2.468 1.814 3.469 0.119 11 0 "[ . 1 . 2]" 1
795 1 53 ALA MB 1 56 SER H . . 4.410 4.307 3.779 4.520 0.110 8 0 "[ . 1 . 2]" 1
796 1 54 ALA H 1 54 ALA HA . . 2.790 2.685 2.157 2.874 0.084 20 0 "[ . 1 . 2]" 1
797 1 54 ALA H 1 54 ALA MB . . 2.860 2.755 2.171 2.965 0.105 11 0 "[ . 1 . 2]" 1
798 1 54 ALA H 1 55 GLY H . . 4.090 3.398 2.167 4.179 0.089 17 0 "[ . 1 . 2]" 1
799 1 54 ALA HA 1 55 GLY H . . 2.680 2.432 1.985 2.762 0.082 19 0 "[ . 1 . 2]" 1
800 1 54 ALA MB 1 55 GLY H . . 3.640 3.240 2.272 3.730 0.090 12 0 "[ . 1 . 2]" 1
801 1 54 ALA MB 1 56 SER H . . 4.650 4.277 3.121 4.756 0.106 18 0 "[ . 1 . 2]" 1
802 1 55 GLY H 1 56 SER H . . 3.470 2.986 1.937 3.538 0.068 9 0 "[ . 1 . 2]" 1
803 1 56 SER H 1 56 SER HB2 . . 3.100 2.767 2.119 3.488 0.388 2 0 "[ . 1 . 2]" 1
804 1 56 SER HB3 1 57 GLY H . . 4.110 3.159 2.007 4.207 0.097 4 0 "[ . 1 . 2]" 1
805 1 57 GLY H 1 57 GLY HA3 . . 2.960 2.710 2.280 3.006 0.046 18 0 "[ . 1 . 2]" 1
806 1 57 GLY H 1 58 CYS H . . 3.180 2.543 1.756 3.236 0.056 4 0 "[ . 1 . 2]" 1
807 1 57 GLY H 1 58 CYS HB2 . . 5.140 4.420 3.494 5.218 0.078 9 0 "[ . 1 . 2]" 1
808 1 57 GLY HA3 1 58 CYS HA . . 4.700 4.599 4.268 5.357 0.657 7 1 "[ . + 1 . 2]" 1
809 1 58 CYS H 1 58 CYS HB2 . . 3.180 2.566 2.278 3.265 0.085 10 0 "[ . 1 . 2]" 1
810 1 58 CYS HA 1 59 ASP H . . 2.820 2.489 2.254 2.881 0.061 10 0 "[ . 1 . 2]" 1
811 1 58 CYS HB2 1 59 ASP H . . 3.740 3.530 2.950 3.805 0.065 9 0 "[ . 1 . 2]" 1
812 1 58 CYS HB3 1 59 ASP H . . 3.150 2.376 2.011 2.742 . 0 0 "[ . 1 . 2]" 1
813 1 59 ASP H 1 59 ASP HB2 . . 3.140 2.678 2.001 3.211 0.071 11 0 "[ . 1 . 2]" 1
814 1 59 ASP H 1 59 ASP HB3 . . 3.230 2.681 2.092 3.304 0.074 2 0 "[ . 1 . 2]" 1
815 1 59 ASP H 1 60 MET H . . 4.800 4.292 3.618 4.644 . 0 0 "[ . 1 . 2]" 1
816 1 59 ASP HA 1 60 MET H . . 2.970 2.318 2.122 2.648 . 0 0 "[ . 1 . 2]" 1
817 1 59 ASP HB2 1 60 MET H . . 4.600 4.397 3.809 4.704 0.104 14 0 "[ . 1 . 2]" 1
818 1 59 ASP HB3 1 60 MET H . . 4.770 4.087 2.606 4.660 . 0 0 "[ . 1 . 2]" 1
819 1 60 MET H 1 60 MET HB3 . . 3.400 3.568 3.111 3.819 0.419 19 0 "[ . 1 . 2]" 1
820 1 60 MET H 1 60 MET QG . . 3.490 2.845 2.388 3.373 . 0 0 "[ . 1 . 2]" 1
821 1 60 MET HA 1 61 GLU H . . 2.900 2.314 2.129 2.966 0.066 16 0 "[ . 1 . 2]" 1
822 1 60 MET HB2 1 61 GLU H . . 4.420 3.799 2.209 4.536 0.116 15 0 "[ . 1 . 2]" 1
823 1 60 MET HB3 1 61 GLU H . . 4.990 3.730 2.326 4.451 . 0 0 "[ . 1 . 2]" 1
824 1 61 GLU H 1 61 GLU QG . . 3.940 2.959 2.103 4.015 0.075 16 0 "[ . 1 . 2]" 1
825 1 61 GLU HA 1 61 GLU QG . . 3.560 2.773 2.043 3.399 . 0 0 "[ . 1 . 2]" 1
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