NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451599 |
2rpa   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rpa
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 473
_Distance_constraint_stats_list.Viol_count 1584
_Distance_constraint_stats_list.Viol_total 57625.699
_Distance_constraint_stats_list.Viol_max 11.674
_Distance_constraint_stats_list.Viol_rms 1.2000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3046
_Distance_constraint_stats_list.Viol_average_violations_only 1.8190
_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 9 LEU 53.137 2.620 18 19 "[** -*************+**]"
1 10 GLN 64.208 2.730 8 20 [****-**+************]
1 11 MET 7.256 1.078 18 6 "[- .* 1* *. +*2]"
1 12 ILE 75.372 4.106 5 20 [***-+***************]
1 13 VAL 284.275 11.674 11 20 [**********+***-*****]
1 14 GLU 4.112 0.427 15 0 "[ . 1 . 2]"
1 15 ASN 140.562 7.456 3 20 [**+-****************]
1 16 VAL 1.668 0.193 9 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.384 0.074 17 0 "[ . 1 . 2]"
1 19 ALA 456.246 7.389 17 20 [***-************+***]
1 20 ARG 1.375 0.193 9 0 "[ . 1 . 2]"
1 21 GLU 12.446 1.663 9 4 "[ .- +1 * * 2]"
1 22 TYR 522.714 6.080 9 20 [*****-**+***********]
1 23 ALA 234.003 3.687 9 20 [******-*+***********]
1 24 LEU 2.463 0.612 9 1 "[ . +1 . 2]"
1 25 LEU 31.803 1.663 9 20 [*******-+***********]
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 152.148 3.025 3 20 [**+****-************]
1 28 TYR 233.564 4.382 20 20 [**********-********+]
1 29 ASP 71.308 1.815 14 20 [**********-**+******]
1 30 SER 0.052 0.052 15 0 "[ . 1 . 2]"
1 31 ALA 786.768 7.389 17 20 [***-************+***]
1 32 MET 6.096 0.588 16 4 "[ -. 1* .+ *]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 1.367 0.156 17 0 "[ . 1 . 2]"
1 35 TYR 448.166 10.449 4 20 [***+****************]
1 36 GLN 0.719 0.156 17 0 "[ . 1 . 2]"
1 37 GLY 1.292 0.317 18 0 "[ . 1 . 2]"
1 38 VAL 134.506 7.456 3 20 [**+**************-**]
1 39 LEU 0.938 0.185 18 0 "[ . 1 . 2]"
1 40 ASP 5.745 0.317 18 0 "[ . 1 . 2]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 MET 210.330 7.759 1 20 [+****************-**]
1 43 ASN 1.806 0.163 18 0 "[ . 1 . 2]"
1 44 LYS 10.449 0.460 18 0 "[ . 1 . 2]"
1 45 TYR 11.184 0.460 18 0 "[ . 1 . 2]"
1 46 LEU 10.895 0.484 19 0 "[ . 1 . 2]"
1 47 TYR 15.924 0.484 19 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 31.865 1.851 17 20 [******-*********+***]
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 355.913 4.627 12 20 [****-******+********]
1 52 THR 24.992 1.202 4 20 [***+*************-**]
1 53 HIS 2.297 0.281 1 0 "[ . 1 . 2]"
1 54 LEU 255.306 4.627 12 20 [*******-***+********]
1 55 ARG 75.568 2.801 17 20 [****-***********+***]
1 56 GLN 26.925 1.202 4 20 [***+*************-**]
1 57 LYS 14.057 0.787 9 7 "[ *** +1 *.- * 2]"
1 58 TRP 252.525 11.674 11 20 [**********+*-*******]
1 59 GLN 3.776 0.553 18 1 "[ . 1 . + 2]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 13.105 0.755 16 8 "[ -*.** 1 *.+ **2]"
1 62 TRP 156.831 7.759 1 20 [+***********-*******]
1 63 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 8.439 0.755 16 3 "[ . 1* .+ *]"
1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASN 0.419 0.113 19 0 "[ . 1 . 2]"
1 67 VAL 3.353 0.650 13 1 "[ . 1 + . 2]"
1 68 GLU 7.613 0.917 4 4 "[ * +. 1- . *]"
1 69 ALA 372.062 10.449 4 20 [***+********-*******]
1 70 LYS 14.289 0.921 19 13 "[* *******1 *- . *+*]"
1 71 GLN 21.394 0.917 4 19 "[***+-******** ******]"
1 72 VAL 1.988 0.452 11 0 "[ . 1 . 2]"
1 73 LYS 4.959 0.779 17 5 "[ * * * 1 - . + 2]"
1 74 ASP 28.707 0.788 20 19 "[***************-** +]"
1 75 ILE 0.010 0.010 7 0 "[ . 1 . 2]"
1 76 MET 24.646 0.788 20 18 "[************ **-** +]"
1 77 LYS 5.898 0.584 14 5 "[- . 1 * +.* * 2]"
1 78 THR 4.765 0.584 14 5 "[- . 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 9 LEU H 1 10 GLN H . . 4.120 3.992 2.165 4.647 0.527 5 1 "[ + 1 . 2]" 1
2 1 9 LEU HA 1 9 LEU HG . . 3.860 2.965 2.251 4.071 0.211 10 0 "[ . 1 . 2]" 1
3 1 9 LEU HA 1 11 MET H . . 4.800 4.048 3.621 4.799 . 0 0 "[ . 1 . 2]" 1
4 1 9 LEU HA 1 12 ILE H . . 4.560 5.303 3.809 6.795 2.235 18 12 "[** -.* **** *. +**]" 1
5 1 9 LEU HA 1 13 VAL H . . 4.980 6.592 5.461 7.600 2.620 18 19 "[** ***********-**+**]" 1
6 1 9 LEU QB 1 10 GLN H . . 3.820 2.879 2.250 3.983 0.163 18 0 "[ . 1 . 2]" 1
7 1 10 GLN H 1 13 VAL MG2 . . 4.290 6.711 6.183 7.020 2.730 8 20 [*******+*********-**] 1
8 1 10 GLN HA 1 13 VAL H . . 4.730 3.556 3.209 3.728 . 0 0 "[ . 1 . 2]" 1
9 1 10 GLN HA 1 14 GLU H . . 4.160 4.342 3.973 4.587 0.427 15 0 "[ . 1 . 2]" 1
10 1 10 GLN QB 1 11 MET H . . 2.840 3.193 2.710 3.918 1.078 18 6 "[- .* 1* *. +*2]" 1
11 1 12 ILE H 1 13 VAL H . . 3.680 2.737 2.642 2.800 . 0 0 "[ . 1 . 2]" 1
12 1 12 ILE H 1 15 ASN H . . 4.940 4.854 4.705 4.989 0.049 14 0 "[ . 1 . 2]" 1
13 1 12 ILE HA 1 15 ASN H . . 4.360 4.100 3.640 4.229 . 0 0 "[ . 1 . 2]" 1
14 1 12 ILE HA 1 15 ASN QB . . 4.440 3.195 2.204 3.755 . 0 0 "[ . 1 . 2]" 1
15 1 12 ILE HA 1 42 MET QG . . 5.340 8.299 6.710 9.446 4.106 5 20 [****+************-**] 1
16 1 13 VAL H 1 13 VAL HB . . 3.620 2.710 2.451 2.899 . 0 0 "[ . 1 . 2]" 1
17 1 13 VAL H 1 13 VAL MG2 . . 3.360 3.798 3.742 3.832 0.472 8 0 "[ . 1 . 2]" 1
18 1 13 VAL HA 1 13 VAL MG2 . . 3.310 2.229 2.091 2.422 . 0 0 "[ . 1 . 2]" 1
19 1 13 VAL HA 1 16 VAL H . . 4.200 3.645 3.441 3.917 . 0 0 "[ . 1 . 2]" 1
20 1 13 VAL HB 1 14 GLU H . . 3.930 2.037 2.004 2.108 . 0 0 "[ . 1 . 2]" 1
21 1 13 VAL HB 1 58 TRP HZ3 . . 5.500 15.243 11.561 17.174 11.674 11 20 [**********+***-*****] 1
22 1 13 VAL MG2 1 14 GLU H . . 3.810 3.261 2.767 3.536 . 0 0 "[ . 1 . 2]" 1
23 1 13 VAL MG2 1 14 GLU HA . . 4.430 3.660 3.066 4.129 . 0 0 "[ . 1 . 2]" 1
24 1 14 GLU H 1 16 VAL H . . 4.600 4.305 4.099 4.414 . 0 0 "[ . 1 . 2]" 1
25 1 14 GLU HA 1 16 VAL H . . 4.470 4.169 3.972 4.510 0.040 18 0 "[ . 1 . 2]" 1
26 1 15 ASN H 1 15 ASN QB . . 3.330 2.346 2.274 2.406 . 0 0 "[ . 1 . 2]" 1
27 1 15 ASN H 1 16 VAL H . . 3.680 2.672 2.494 2.818 . 0 0 "[ . 1 . 2]" 1
28 1 15 ASN H 1 17 LYS H . . 5.280 4.191 4.083 4.295 . 0 0 "[ . 1 . 2]" 1
29 1 15 ASN H 1 18 LEU H . . 5.500 5.363 5.191 5.507 0.007 8 0 "[ . 1 . 2]" 1
30 1 15 ASN HA 1 17 LYS H . . 4.570 3.979 3.761 4.154 . 0 0 "[ . 1 . 2]" 1
31 1 15 ASN HA 1 18 LEU H . . 4.500 3.495 3.294 3.639 . 0 0 "[ . 1 . 2]" 1
32 1 15 ASN HA 1 18 LEU QB . . 4.070 3.698 3.538 3.954 . 0 0 "[ . 1 . 2]" 1
33 1 15 ASN HA 1 19 ALA H . . 4.820 5.121 4.815 5.417 0.597 2 4 "[ + -. *1 .* 2]" 1
34 1 15 ASN QB 1 16 VAL H . . 4.260 3.133 2.556 3.526 . 0 0 "[ . 1 . 2]" 1
35 1 15 ASN QB 1 38 VAL H . . 4.780 11.504 10.627 12.236 7.456 3 20 [**+**************-**] 1
36 1 16 VAL H 1 17 LYS H . . 3.650 2.712 2.612 2.768 . 0 0 "[ . 1 . 2]" 1
37 1 16 VAL H 1 17 LYS HA . . 5.500 5.288 5.204 5.339 . 0 0 "[ . 1 . 2]" 1
38 1 16 VAL H 1 18 LEU H . . 4.500 4.474 4.202 4.574 0.074 17 0 "[ . 1 . 2]" 1
39 1 16 VAL HA 1 19 ALA H . . 4.390 3.435 3.295 3.603 . 0 0 "[ . 1 . 2]" 1
40 1 16 VAL HA 1 20 ARG H . . 4.630 4.569 4.022 4.823 0.193 9 0 "[ . 1 . 2]" 1
41 1 17 LYS H 1 18 LEU H . . 3.940 2.769 2.501 2.865 . 0 0 "[ . 1 . 2]" 1
42 1 18 LEU H 1 18 LEU QB . . 3.760 2.544 2.487 2.625 . 0 0 "[ . 1 . 2]" 1
43 1 18 LEU H 1 19 ALA H . . 3.970 2.728 2.642 2.811 . 0 0 "[ . 1 . 2]" 1
44 1 18 LEU HA 1 21 GLU H . . 3.920 3.616 3.356 3.811 . 0 0 "[ . 1 . 2]" 1
45 1 18 LEU HA 1 21 GLU QB . . 3.850 2.733 2.331 3.011 . 0 0 "[ . 1 . 2]" 1
46 1 18 LEU HA 1 21 GLU QG . . 5.340 4.483 3.236 4.951 . 0 0 "[ . 1 . 2]" 1
47 1 18 LEU QB 1 19 ALA H . . 3.870 2.693 2.587 2.788 . 0 0 "[ . 1 . 2]" 1
48 1 18 LEU QB 1 20 ARG H . . 5.040 4.813 4.671 4.990 . 0 0 "[ . 1 . 2]" 1
49 1 19 ALA H 1 20 ARG H . . 4.020 2.583 2.534 2.647 . 0 0 "[ . 1 . 2]" 1
50 1 19 ALA H 1 20 ARG QB . . 5.500 4.635 4.257 5.098 . 0 0 "[ . 1 . 2]" 1
51 1 19 ALA H 1 21 GLU H . . 4.390 4.095 3.807 4.318 . 0 0 "[ . 1 . 2]" 1
52 1 19 ALA H 1 31 ALA HA . . 5.380 11.385 11.111 11.720 6.340 17 20 [****************+*-*] 1
53 1 19 ALA HA 1 22 TYR H . . 4.090 3.690 3.561 3.840 . 0 0 "[ . 1 . 2]" 1
54 1 19 ALA HA 1 22 TYR QB . . 4.200 3.067 2.840 3.323 . 0 0 "[ . 1 . 2]" 1
55 1 19 ALA HA 1 31 ALA H . . 5.500 11.086 10.857 11.429 5.929 17 20 [***************-+***] 1
56 1 19 ALA HA 1 31 ALA HA . . 3.740 10.733 10.474 11.129 7.389 17 20 [****************+*-*] 1
57 1 19 ALA HA 1 35 TYR H . . 5.500 9.426 8.772 9.948 4.448 17 20 [***************-+***] 1
58 1 20 ARG H 1 20 ARG QB . . 3.560 2.427 2.055 2.913 . 0 0 "[ . 1 . 2]" 1
59 1 20 ARG H 1 22 TYR H . . 4.580 4.110 3.945 4.396 . 0 0 "[ . 1 . 2]" 1
60 1 20 ARG HA 1 23 ALA H . . 4.740 3.403 3.315 3.529 . 0 0 "[ . 1 . 2]" 1
61 1 20 ARG QB 1 21 GLU H . . 3.580 2.880 2.437 3.219 . 0 0 "[ . 1 . 2]" 1
62 1 20 ARG QB 1 21 GLU QB . . 4.640 4.292 3.865 4.765 0.125 15 0 "[ . 1 . 2]" 1
63 1 21 GLU H 1 21 GLU QB . . 3.320 2.214 2.129 2.248 . 0 0 "[ . 1 . 2]" 1
64 1 21 GLU H 1 21 GLU HG2 . . 4.730 4.298 2.895 4.600 . 0 0 "[ . 1 . 2]" 1
65 1 21 GLU H 1 21 GLU QG . . 4.120 3.789 2.791 4.043 . 0 0 "[ . 1 . 2]" 1
66 1 21 GLU H 1 21 GLU HG3 . . 4.730 4.278 2.972 4.633 . 0 0 "[ . 1 . 2]" 1
67 1 21 GLU H 1 22 TYR H . . 3.890 2.718 2.563 2.845 . 0 0 "[ . 1 . 2]" 1
68 1 21 GLU H 1 22 TYR QB . . 5.500 4.463 4.336 4.569 . 0 0 "[ . 1 . 2]" 1
69 1 21 GLU HA 1 21 GLU HG2 . . 3.650 2.955 2.201 3.833 0.183 11 0 "[ . 1 . 2]" 1
70 1 21 GLU HA 1 21 GLU QG . . 3.140 2.428 2.179 2.828 . 0 0 "[ . 1 . 2]" 1
71 1 21 GLU HA 1 21 GLU HG3 . . 3.650 2.809 2.281 3.653 0.003 14 0 "[ . 1 . 2]" 1
72 1 21 GLU HA 1 24 LEU H . . 3.980 3.520 3.263 3.783 . 0 0 "[ . 1 . 2]" 1
73 1 21 GLU HA 1 24 LEU QB . . 3.810 3.154 2.694 3.684 . 0 0 "[ . 1 . 2]" 1
74 1 21 GLU QB 1 22 TYR H . . 3.830 2.658 2.450 2.819 . 0 0 "[ . 1 . 2]" 1
75 1 21 GLU QB 1 22 TYR HA . . 4.750 4.063 3.781 4.355 . 0 0 "[ . 1 . 2]" 1
76 1 21 GLU QB 1 25 LEU QD . . 4.640 4.084 3.636 4.377 . 0 0 "[ . 1 . 2]" 1
77 1 21 GLU QG 1 24 LEU H . . 5.290 4.943 4.487 5.902 0.612 9 1 "[ . +1 . 2]" 1
78 1 21 GLU QG 1 25 LEU QD . . 3.320 3.113 2.575 4.983 1.663 9 3 "[ . +1 - * 2]" 1
79 1 21 GLU HG2 1 22 TYR H . . 4.770 4.214 3.569 5.084 0.314 13 0 "[ . 1 . 2]" 1
80 1 21 GLU HG2 1 25 LEU QD . . 4.770 3.351 2.684 5.652 0.882 9 1 "[ . +1 . 2]" 1
81 1 21 GLU HG3 1 22 TYR H . . 4.770 4.819 3.712 5.286 0.516 6 1 "[ .+ 1 . 2]" 1
82 1 21 GLU HG3 1 25 LEU QD . . 4.770 3.847 2.662 5.687 0.917 13 2 "[ . -1 + . 2]" 1
83 1 22 TYR H 1 22 TYR QB . . 3.820 2.223 2.162 2.257 . 0 0 "[ . 1 . 2]" 1
84 1 22 TYR H 1 25 LEU QD . . 5.500 4.610 4.416 4.854 . 0 0 "[ . 1 . 2]" 1
85 1 22 TYR H 1 31 ALA HA . . 5.500 10.487 10.218 10.878 5.378 15 20 [-*************+*****] 1
86 1 22 TYR HA 1 25 LEU H . . 4.530 3.561 3.442 3.742 . 0 0 "[ . 1 . 2]" 1
87 1 22 TYR HA 1 25 LEU QB . . 3.910 3.426 2.960 3.683 . 0 0 "[ . 1 . 2]" 1
88 1 22 TYR HA 1 25 LEU QD . . 3.510 2.902 2.440 3.316 . 0 0 "[ . 1 . 2]" 1
89 1 22 TYR HA 1 27 ASN H . . 3.990 6.695 6.505 6.848 2.858 3 20 [**+***-*************] 1
90 1 22 TYR QB 1 23 ALA H . . 3.880 2.598 2.461 2.755 . 0 0 "[ . 1 . 2]" 1
91 1 22 TYR QB 1 23 ALA HA . . 4.730 4.003 3.832 4.319 . 0 0 "[ . 1 . 2]" 1
92 1 22 TYR QB 1 24 LEU H . . 5.300 4.713 4.554 4.850 . 0 0 "[ . 1 . 2]" 1
93 1 22 TYR QB 1 27 ASN H . . 4.310 7.132 6.961 7.335 3.025 3 20 [**+****-************] 1
94 1 22 TYR QB 1 28 TYR HA . . 5.140 9.352 9.186 9.522 4.382 20 20 [*******-***********+] 1
95 1 22 TYR QB 1 31 ALA H . . 4.020 9.466 9.319 9.652 5.632 17 20 [***************-+***] 1
96 1 22 TYR QB 1 31 ALA HA . . 4.110 9.916 9.683 10.190 6.080 9 20 [********+*-*********] 1
97 1 23 ALA H 1 24 LEU H . . 3.670 2.635 2.509 2.743 . 0 0 "[ . 1 . 2]" 1
98 1 23 ALA H 1 25 LEU H . . 4.580 4.206 4.024 4.362 . 0 0 "[ . 1 . 2]" 1
99 1 23 ALA H 1 26 GLY H . . 5.060 4.926 4.807 5.031 . 0 0 "[ . 1 . 2]" 1
100 1 23 ALA H 1 27 ASN H . . 5.270 6.200 6.054 6.404 1.134 13 20 [******-*****+*******] 1
101 1 23 ALA H 1 28 TYR HA . . 4.390 7.922 7.720 8.077 3.687 9 20 [***-****+***********] 1
102 1 23 ALA H 1 31 ALA HA . . 5.500 8.456 8.210 8.746 3.246 9 20 [********+*-*********] 1
103 1 23 ALA HA 1 26 GLY H . . 4.110 3.536 3.404 3.727 . 0 0 "[ . 1 . 2]" 1
104 1 23 ALA HA 1 27 ASN H . . 4.270 4.175 4.023 4.442 0.172 13 0 "[ . 1 . 2]" 1
105 1 23 ALA HA 1 28 TYR H . . 4.800 3.790 3.619 3.909 . 0 0 "[ . 1 . 2]" 1
106 1 23 ALA HA 1 28 TYR HA . . 4.340 5.943 5.714 6.073 1.733 12 20 [***-*******+********] 1
107 1 23 ALA HA 1 29 ASP H . . 5.500 6.734 6.576 6.876 1.376 13 20 [***-********+*******] 1
108 1 23 ALA HA 1 31 ALA H . . 5.500 6.933 6.785 7.157 1.657 17 20 [***-************+***] 1
109 1 24 LEU H 1 24 LEU HB2 . . 3.790 3.002 2.385 3.593 . 0 0 "[ . 1 . 2]" 1
110 1 24 LEU H 1 24 LEU QB . . 3.160 2.457 2.177 2.743 . 0 0 "[ . 1 . 2]" 1
111 1 24 LEU H 1 24 LEU HB3 . . 3.790 2.865 2.260 3.588 . 0 0 "[ . 1 . 2]" 1
112 1 24 LEU H 1 25 LEU H . . 3.740 2.704 2.566 2.806 . 0 0 "[ . 1 . 2]" 1
113 1 24 LEU H 1 25 LEU QD . . 4.850 4.030 3.662 4.179 . 0 0 "[ . 1 . 2]" 1
114 1 24 LEU HA 1 25 LEU QD . . 4.950 4.380 4.054 4.588 . 0 0 "[ . 1 . 2]" 1
115 1 24 LEU QB 1 25 LEU H . . 3.210 2.950 2.540 3.447 0.237 18 0 "[ . 1 . 2]" 1
116 1 24 LEU QB 1 25 LEU QD . . 3.390 2.715 1.974 3.276 . 0 0 "[ . 1 . 2]" 1
117 1 25 LEU H 1 25 LEU QB . . 3.270 2.624 2.456 2.730 . 0 0 "[ . 1 . 2]" 1
118 1 25 LEU H 1 25 LEU QD . . 3.290 2.432 2.055 2.676 . 0 0 "[ . 1 . 2]" 1
119 1 25 LEU H 1 25 LEU HG . . 4.250 2.153 1.933 2.541 . 0 0 "[ . 1 . 2]" 1
120 1 25 LEU H 1 26 GLY H . . 3.600 2.661 2.621 2.743 . 0 0 "[ . 1 . 2]" 1
121 1 25 LEU H 1 27 ASN H . . 4.610 3.973 3.876 4.226 . 0 0 "[ . 1 . 2]" 1
122 1 25 LEU HA 1 25 LEU QD . . 2.930 2.150 1.946 2.303 . 0 0 "[ . 1 . 2]" 1
123 1 25 LEU HA 1 25 LEU HG . . 3.660 3.526 3.425 3.665 0.005 14 0 "[ . 1 . 2]" 1
124 1 25 LEU QB 1 25 LEU QD . . 2.650 1.911 1.882 1.931 . 0 0 "[ . 1 . 2]" 1
125 1 25 LEU QB 1 26 GLY H . . 3.480 2.278 2.245 2.410 . 0 0 "[ . 1 . 2]" 1
126 1 25 LEU QB 1 27 ASN H . . 3.530 4.459 4.240 4.694 1.164 8 20 [*******+****-*******] 1
127 1 25 LEU QD 1 26 GLY H . . 4.240 3.858 3.754 3.932 . 0 0 "[ . 1 . 2]" 1
128 1 25 LEU QD 1 27 ASN H . . 4.810 5.017 4.783 5.327 0.517 8 1 "[ . + 1 . 2]" 1
129 1 26 GLY H 1 27 ASN H . . 3.390 2.824 2.769 2.887 . 0 0 "[ . 1 . 2]" 1
130 1 27 ASN H 1 28 TYR H . . 4.410 1.993 1.800 2.169 . 0 0 "[ . 1 . 2]" 1
131 1 28 TYR H 1 28 TYR QB . . 3.760 2.342 2.301 2.393 . 0 0 "[ . 1 . 2]" 1
132 1 28 TYR H 1 29 ASP H . . 3.590 4.058 3.891 4.262 0.672 14 6 "[ * * 1-**+. 2]" 1
133 1 28 TYR H 1 29 ASP HA . . 5.060 4.953 4.856 5.062 0.002 14 0 "[ . 1 . 2]" 1
134 1 28 TYR H 1 29 ASP QB . . 4.130 5.851 5.747 5.945 1.815 14 20 [**-**********+******] 1
135 1 28 TYR HA 1 29 ASP HA . . 5.450 4.458 4.410 4.499 . 0 0 "[ . 1 . 2]" 1
136 1 28 TYR HA 1 31 ALA H . . 4.470 4.154 3.972 4.340 . 0 0 "[ . 1 . 2]" 1
137 1 28 TYR QB 1 29 ASP H . . 3.820 3.960 3.872 4.000 0.180 3 0 "[ . 1 . 2]" 1
138 1 28 TYR QB 1 29 ASP HA . . 4.860 4.552 4.486 4.594 . 0 0 "[ . 1 . 2]" 1
139 1 28 TYR QB 1 30 SER H . . 5.010 4.900 4.805 5.062 0.052 15 0 "[ . 1 . 2]" 1
140 1 28 TYR QB 1 32 MET H . . 5.500 4.516 4.257 4.626 . 0 0 "[ . 1 . 2]" 1
141 1 29 ASP H 1 29 ASP QB . . 3.020 2.659 2.625 2.721 . 0 0 "[ . 1 . 2]" 1
142 1 29 ASP H 1 30 SER H . . 3.420 2.336 2.173 2.435 . 0 0 "[ . 1 . 2]" 1
143 1 29 ASP H 1 31 ALA H . . 4.340 3.985 3.809 4.108 . 0 0 "[ . 1 . 2]" 1
144 1 29 ASP HA 1 30 SER HA . . 5.500 4.870 4.838 4.881 . 0 0 "[ . 1 . 2]" 1
145 1 29 ASP HA 1 31 ALA H . . 4.910 4.120 4.026 4.257 . 0 0 "[ . 1 . 2]" 1
146 1 29 ASP HA 1 32 MET H . . 4.260 3.193 3.098 3.280 . 0 0 "[ . 1 . 2]" 1
147 1 29 ASP HA 1 32 MET QB . . 3.970 2.772 2.309 3.520 . 0 0 "[ . 1 . 2]" 1
148 1 29 ASP QB 1 30 SER H . . 3.250 2.598 2.454 2.693 . 0 0 "[ . 1 . 2]" 1
149 1 29 ASP QB 1 30 SER HA . . 4.600 3.796 3.775 3.821 . 0 0 "[ . 1 . 2]" 1
150 1 29 ASP QB 1 31 ALA H . . 4.700 4.675 4.599 4.720 0.020 8 0 "[ . 1 . 2]" 1
151 1 30 SER H 1 30 SER HB2 . . 3.560 2.351 2.190 2.660 . 0 0 "[ . 1 . 2]" 1
152 1 30 SER H 1 30 SER QB . . 3.090 2.197 2.134 2.256 . 0 0 "[ . 1 . 2]" 1
153 1 30 SER H 1 30 SER HB3 . . 3.560 2.746 2.414 2.949 . 0 0 "[ . 1 . 2]" 1
154 1 30 SER H 1 31 ALA H . . 3.540 2.797 2.706 2.840 . 0 0 "[ . 1 . 2]" 1
155 1 30 SER HA 1 33 VAL H . . 3.950 3.522 3.400 3.806 . 0 0 "[ . 1 . 2]" 1
156 1 30 SER QB 1 31 ALA H . . 3.620 2.631 2.532 2.720 . 0 0 "[ . 1 . 2]" 1
157 1 30 SER QB 1 31 ALA HA . . 4.750 4.038 3.856 4.311 . 0 0 "[ . 1 . 2]" 1
158 1 30 SER HB2 1 31 ALA H . . 4.370 3.792 3.578 4.033 . 0 0 "[ . 1 . 2]" 1
159 1 30 SER HB3 1 31 ALA H . . 4.370 2.685 2.573 2.765 . 0 0 "[ . 1 . 2]" 1
160 1 31 ALA H 1 32 MET H . . 3.780 2.536 2.455 2.634 . 0 0 "[ . 1 . 2]" 1
161 1 31 ALA H 1 33 VAL H . . 4.480 4.195 4.097 4.339 . 0 0 "[ . 1 . 2]" 1
162 1 31 ALA HA 1 33 VAL H . . 4.910 4.324 4.247 4.546 . 0 0 "[ . 1 . 2]" 1
163 1 31 ALA HA 1 35 TYR QD . . 5.150 4.269 3.800 4.741 . 0 0 "[ . 1 . 2]" 1
164 1 31 ALA HA 1 35 TYR QE . . 5.180 5.114 4.611 5.634 0.454 20 0 "[ . 1 . 2]" 1
165 1 32 MET H 1 32 MET HB2 . . 4.030 2.846 2.183 3.593 . 0 0 "[ . 1 . 2]" 1
166 1 32 MET H 1 32 MET QB . . 3.270 2.383 2.073 2.884 . 0 0 "[ . 1 . 2]" 1
167 1 32 MET H 1 32 MET HB3 . . 4.030 2.952 2.095 3.585 . 0 0 "[ . 1 . 2]" 1
168 1 32 MET H 1 33 VAL H . . 3.740 2.567 2.481 2.782 . 0 0 "[ . 1 . 2]" 1
169 1 32 MET H 1 34 TYR H . . 4.440 4.357 4.034 4.525 0.085 17 0 "[ . 1 . 2]" 1
170 1 32 MET H 1 35 TYR H . . 4.960 4.996 4.877 5.120 0.160 20 0 "[ . 1 . 2]" 1
171 1 32 MET H 1 35 TYR HB2 . . 5.060 5.233 4.912 5.648 0.588 16 4 "[ -. 1* .+ *]" 1
172 1 32 MET HA 1 35 TYR H . . 4.460 3.515 3.349 3.600 . 0 0 "[ . 1 . 2]" 1
173 1 32 MET HA 1 36 GLN H . . 4.470 3.967 3.804 4.205 . 0 0 "[ . 1 . 2]" 1
174 1 32 MET QB 1 33 VAL H . . 3.680 2.906 2.569 3.463 . 0 0 "[ . 1 . 2]" 1
175 1 32 MET QB 1 35 TYR HB2 . . 5.240 4.437 3.931 5.027 . 0 0 "[ . 1 . 2]" 1
176 1 33 VAL H 1 34 TYR H . . 3.590 2.815 2.637 3.008 . 0 0 "[ . 1 . 2]" 1
177 1 33 VAL H 1 35 TYR H . . 4.570 4.195 3.993 4.460 . 0 0 "[ . 1 . 2]" 1
178 1 33 VAL HA 1 36 GLN H . . 4.470 3.533 3.472 3.641 . 0 0 "[ . 1 . 2]" 1
179 1 33 VAL HA 1 36 GLN QB . . 4.110 2.510 2.280 2.796 . 0 0 "[ . 1 . 2]" 1
180 1 34 TYR H 1 35 TYR H . . 3.810 2.776 2.724 2.827 . 0 0 "[ . 1 . 2]" 1
181 1 34 TYR H 1 36 GLN H . . 4.410 4.365 4.079 4.566 0.156 17 0 "[ . 1 . 2]" 1
182 1 34 TYR HA 1 37 GLY H . . 4.280 3.988 3.851 4.106 . 0 0 "[ . 1 . 2]" 1
183 1 34 TYR HA 1 38 VAL H . . 4.860 4.468 4.260 4.692 . 0 0 "[ . 1 . 2]" 1
184 1 35 TYR H 1 35 TYR HB2 . . 3.990 2.175 2.156 2.201 . 0 0 "[ . 1 . 2]" 1
185 1 35 TYR H 1 36 GLN H . . 4.080 2.637 2.574 2.697 . 0 0 "[ . 1 . 2]" 1
186 1 35 TYR H 1 36 GLN QB . . 5.350 4.346 4.318 4.383 . 0 0 "[ . 1 . 2]" 1
187 1 35 TYR HA 1 35 TYR QD . . 3.340 3.011 2.881 3.049 . 0 0 "[ . 1 . 2]" 1
188 1 35 TYR HA 1 35 TYR QE . . 5.410 4.503 4.472 4.520 . 0 0 "[ . 1 . 2]" 1
189 1 35 TYR HA 1 37 GLY H . . 4.900 4.710 4.556 4.817 . 0 0 "[ . 1 . 2]" 1
190 1 35 TYR HA 1 38 VAL H . . 5.020 3.545 3.482 3.609 . 0 0 "[ . 1 . 2]" 1
191 1 35 TYR HB2 1 36 GLN H . . 4.130 2.685 2.609 2.786 . 0 0 "[ . 1 . 2]" 1
192 1 35 TYR HB2 1 36 GLN QB . . 5.340 4.601 4.511 4.708 . 0 0 "[ . 1 . 2]" 1
193 1 35 TYR HB3 1 36 GLN H . . 4.030 3.102 2.950 3.262 . 0 0 "[ . 1 . 2]" 1
194 1 35 TYR HB3 1 36 GLN QB . . 5.340 4.883 4.739 5.060 . 0 0 "[ . 1 . 2]" 1
195 1 35 TYR HB3 1 37 GLY H . . 5.500 5.498 5.305 5.630 0.130 8 0 "[ . 1 . 2]" 1
196 1 35 TYR QD 1 69 ALA HA . . 4.730 12.897 12.544 13.432 8.702 4 20 [***+************-***] 1
197 1 35 TYR QE 1 69 ALA HA . . 5.030 14.911 14.504 15.479 10.449 4 20 [***+************-***] 1
198 1 36 GLN H 1 36 GLN QB . . 3.650 2.197 2.182 2.262 . 0 0 "[ . 1 . 2]" 1
199 1 36 GLN H 1 37 GLY H . . 3.910 2.880 2.820 2.915 . 0 0 "[ . 1 . 2]" 1
200 1 36 GLN H 1 38 VAL H . . 4.680 4.115 4.053 4.229 . 0 0 "[ . 1 . 2]" 1
201 1 36 GLN HA 1 39 LEU H . . 4.220 3.432 3.310 3.618 . 0 0 "[ . 1 . 2]" 1
202 1 36 GLN HA 1 40 ASP H . . 4.640 4.091 3.927 4.284 . 0 0 "[ . 1 . 2]" 1
203 1 36 GLN QB 1 37 GLY H . . 3.330 2.467 2.388 2.581 . 0 0 "[ . 1 . 2]" 1
204 1 37 GLY H 1 39 LEU H . . 4.680 4.384 4.215 4.516 . 0 0 "[ . 1 . 2]" 1
205 1 37 GLY H 1 40 ASP QB . . 5.340 5.248 4.960 5.657 0.317 18 0 "[ . 1 . 2]" 1
206 1 38 VAL H 1 39 LEU H . . 3.830 2.629 2.546 2.762 . 0 0 "[ . 1 . 2]" 1
207 1 38 VAL H 1 40 ASP H . . 4.610 4.269 4.104 4.515 . 0 0 "[ . 1 . 2]" 1
208 1 38 VAL H 1 40 ASP QB . . 5.340 5.137 4.961 5.368 0.028 18 0 "[ . 1 . 2]" 1
209 1 39 LEU H 1 40 ASP H . . 3.820 2.788 2.646 3.003 . 0 0 "[ . 1 . 2]" 1
210 1 39 LEU H 1 40 ASP QB . . 4.700 4.679 4.486 4.885 0.185 18 0 "[ . 1 . 2]" 1
211 1 39 LEU H 1 42 MET QG . . 5.180 4.726 4.464 4.891 . 0 0 "[ . 1 . 2]" 1
212 1 39 LEU HA 1 40 ASP HA . . 5.390 4.792 4.764 4.822 . 0 0 "[ . 1 . 2]" 1
213 1 39 LEU HA 1 42 MET QB . . 4.740 2.861 2.736 2.958 . 0 0 "[ . 1 . 2]" 1
214 1 39 LEU HA 1 42 MET QG . . 5.040 3.555 3.304 3.776 . 0 0 "[ . 1 . 2]" 1
215 1 40 ASP H 1 40 ASP HB2 . . 3.710 2.397 2.252 2.576 . 0 0 "[ . 1 . 2]" 1
216 1 40 ASP H 1 40 ASP HB3 . . 3.710 3.565 3.531 3.588 . 0 0 "[ . 1 . 2]" 1
217 1 40 ASP H 1 41 GLN H . . 3.840 2.713 2.584 2.818 . 0 0 "[ . 1 . 2]" 1
218 1 40 ASP H 1 42 MET H . . 4.760 4.292 4.190 4.432 . 0 0 "[ . 1 . 2]" 1
219 1 40 ASP H 1 42 MET QB . . 5.100 5.233 5.166 5.306 0.206 12 0 "[ . 1 . 2]" 1
220 1 40 ASP HA 1 41 GLN HA . . 5.500 4.782 4.741 4.829 . 0 0 "[ . 1 . 2]" 1
221 1 40 ASP HA 1 42 MET QB . . 5.350 5.420 5.255 5.544 0.194 17 0 "[ . 1 . 2]" 1
222 1 40 ASP HA 1 43 ASN H . . 4.240 3.537 3.339 3.770 . 0 0 "[ . 1 . 2]" 1
223 1 40 ASP HA 1 43 ASN HB2 . . 4.550 2.417 2.223 2.615 . 0 0 "[ . 1 . 2]" 1
224 1 40 ASP HA 1 43 ASN HB3 . . 5.140 3.885 3.686 4.124 . 0 0 "[ . 1 . 2]" 1
225 1 40 ASP HA 1 44 LYS H . . 4.940 4.124 3.911 4.287 . 0 0 "[ . 1 . 2]" 1
226 1 40 ASP QB 1 41 GLN H . . 3.590 2.539 2.362 2.711 . 0 0 "[ . 1 . 2]" 1
227 1 40 ASP QB 1 43 ASN H . . 5.340 4.850 4.690 5.113 . 0 0 "[ . 1 . 2]" 1
228 1 40 ASP HB2 1 41 GLN H . . 4.090 2.610 2.402 2.816 . 0 0 "[ . 1 . 2]" 1
229 1 40 ASP HB2 1 41 GLN HA . . 4.790 4.390 4.160 4.603 . 0 0 "[ . 1 . 2]" 1
230 1 40 ASP HB3 1 41 GLN H . . 4.090 3.508 3.328 3.705 . 0 0 "[ . 1 . 2]" 1
231 1 40 ASP HB3 1 41 GLN HA . . 4.790 4.278 4.143 4.510 . 0 0 "[ . 1 . 2]" 1
232 1 41 GLN H 1 41 GLN HB2 . . 3.790 2.241 2.185 2.434 . 0 0 "[ . 1 . 2]" 1
233 1 41 GLN H 1 41 GLN HB3 . . 3.920 3.521 3.492 3.584 . 0 0 "[ . 1 . 2]" 1
234 1 41 GLN H 1 42 MET H . . 4.020 2.709 2.593 2.832 . 0 0 "[ . 1 . 2]" 1
235 1 41 GLN HA 1 43 ASN H . . 4.840 4.407 4.210 4.620 . 0 0 "[ . 1 . 2]" 1
236 1 41 GLN HB2 1 42 MET H . . 4.770 2.658 2.515 2.770 . 0 0 "[ . 1 . 2]" 1
237 1 41 GLN HB2 1 42 MET QG . . 5.020 3.505 3.187 3.728 . 0 0 "[ . 1 . 2]" 1
238 1 41 GLN HB3 1 42 MET H . . 4.720 3.227 3.033 3.526 . 0 0 "[ . 1 . 2]" 1
239 1 41 GLN HB3 1 42 MET QG . . 5.340 3.879 3.537 4.263 . 0 0 "[ . 1 . 2]" 1
240 1 42 MET H 1 42 MET QB . . 3.780 2.423 2.390 2.458 . 0 0 "[ . 1 . 2]" 1
241 1 42 MET H 1 42 MET HG2 . . 4.010 2.334 2.152 3.011 . 0 0 "[ . 1 . 2]" 1
242 1 42 MET H 1 42 MET HG3 . . 4.010 3.552 2.468 3.841 . 0 0 "[ . 1 . 2]" 1
243 1 42 MET H 1 43 ASN H . . 3.900 2.585 2.480 2.698 . 0 0 "[ . 1 . 2]" 1
244 1 42 MET H 1 43 ASN HA . . 5.490 5.187 5.092 5.288 . 0 0 "[ . 1 . 2]" 1
245 1 42 MET H 1 43 ASN HB2 . . 5.030 4.497 4.377 4.670 . 0 0 "[ . 1 . 2]" 1
246 1 42 MET H 1 44 LYS H . . 4.430 4.425 4.339 4.538 0.108 16 0 "[ . 1 . 2]" 1
247 1 42 MET HA 1 42 MET HG2 . . 4.130 2.973 2.372 3.266 . 0 0 "[ . 1 . 2]" 1
248 1 42 MET HA 1 42 MET QG . . 3.430 2.851 2.330 3.047 . 0 0 "[ . 1 . 2]" 1
249 1 42 MET HA 1 42 MET HG3 . . 4.130 3.718 3.412 3.791 . 0 0 "[ . 1 . 2]" 1
250 1 42 MET HA 1 44 LYS H . . 5.090 4.560 4.461 4.645 . 0 0 "[ . 1 . 2]" 1
251 1 42 MET HA 1 44 LYS HB2 . . 5.500 5.190 5.065 5.325 . 0 0 "[ . 1 . 2]" 1
252 1 42 MET HA 1 45 TYR H . . 4.470 3.562 3.474 3.682 . 0 0 "[ . 1 . 2]" 1
253 1 42 MET QB 1 43 ASN H . . 4.020 2.675 2.507 2.774 . 0 0 "[ . 1 . 2]" 1
254 1 42 MET QB 1 62 TRP HA . . 5.500 12.831 12.084 13.259 7.759 1 20 [+*************-*****] 1
255 1 43 ASN H 1 43 ASN HB2 . . 3.500 2.229 2.190 2.383 . 0 0 "[ . 1 . 2]" 1
256 1 43 ASN H 1 43 ASN HB3 . . 3.570 3.517 3.496 3.573 0.003 18 0 "[ . 1 . 2]" 1
257 1 43 ASN H 1 44 LYS H . . 3.570 2.815 2.710 2.897 . 0 0 "[ . 1 . 2]" 1
258 1 43 ASN HA 1 46 LEU H . . 4.090 3.551 3.521 3.582 . 0 0 "[ . 1 . 2]" 1
259 1 43 ASN HA 1 46 LEU HA . . 5.490 5.580 5.508 5.653 0.163 18 0 "[ . 1 . 2]" 1
260 1 43 ASN HA 1 46 LEU HB2 . . 4.710 3.535 3.334 3.782 . 0 0 "[ . 1 . 2]" 1
261 1 43 ASN HA 1 46 LEU HB3 . . 4.710 3.147 3.033 3.434 . 0 0 "[ . 1 . 2]" 1
262 1 43 ASN HB2 1 44 LYS H . . 3.770 2.618 2.450 2.705 . 0 0 "[ . 1 . 2]" 1
263 1 43 ASN HB2 1 44 LYS HB2 . . 5.500 4.670 4.475 4.763 . 0 0 "[ . 1 . 2]" 1
264 1 43 ASN HB2 1 45 TYR H . . 5.470 5.175 5.019 5.236 . 0 0 "[ . 1 . 2]" 1
265 1 43 ASN HB3 1 44 LYS H . . 3.560 3.116 3.036 3.285 . 0 0 "[ . 1 . 2]" 1
266 1 43 ASN HB3 1 44 LYS HB2 . . 5.500 5.154 5.063 5.330 . 0 0 "[ . 1 . 2]" 1
267 1 43 ASN HB3 1 45 TYR H . . 5.500 5.425 5.368 5.502 0.002 18 0 "[ . 1 . 2]" 1
268 1 44 LYS H 1 44 LYS HB2 . . 3.130 2.203 2.195 2.210 . 0 0 "[ . 1 . 2]" 1
269 1 44 LYS H 1 45 TYR H . . 3.510 2.846 2.819 2.867 . 0 0 "[ . 1 . 2]" 1
270 1 44 LYS HA 1 47 TYR H . . 4.240 3.390 3.254 3.452 . 0 0 "[ . 1 . 2]" 1
271 1 44 LYS HA 1 47 TYR HB2 . . 4.590 3.268 2.996 3.367 . 0 0 "[ . 1 . 2]" 1
272 1 44 LYS HA 1 47 TYR QB . . 3.960 3.205 2.952 3.297 . 0 0 "[ . 1 . 2]" 1
273 1 44 LYS HA 1 47 TYR HB3 . . 4.590 4.629 4.453 4.706 0.116 20 0 "[ . 1 . 2]" 1
274 1 44 LYS HB2 1 45 TYR H . . 3.430 2.705 2.659 2.751 . 0 0 "[ . 1 . 2]" 1
275 1 44 LYS HB2 1 45 TYR HA . . 4.240 4.690 4.679 4.700 0.460 18 0 "[ . 1 . 2]" 1
276 1 44 LYS HB3 1 45 TYR H . . 4.440 3.100 3.056 3.141 . 0 0 "[ . 1 . 2]" 1
277 1 45 TYR H 1 45 TYR HB2 . . 3.180 2.592 2.556 2.627 . 0 0 "[ . 1 . 2]" 1
278 1 45 TYR H 1 45 TYR HB3 . . 3.600 3.591 3.588 3.592 . 0 0 "[ . 1 . 2]" 1
279 1 45 TYR H 1 46 LEU H . . 3.320 2.784 2.763 2.811 . 0 0 "[ . 1 . 2]" 1
280 1 45 TYR H 1 46 LEU HA . . 5.500 5.371 5.351 5.390 . 0 0 "[ . 1 . 2]" 1
281 1 45 TYR H 1 47 TYR H . . 4.380 4.482 4.296 4.597 0.217 2 0 "[ . 1 . 2]" 1
282 1 45 TYR HA 1 46 LEU HA . . 5.340 4.756 4.738 4.785 . 0 0 "[ . 1 . 2]" 1
283 1 45 TYR HA 1 48 SER H . . 4.520 3.630 3.449 3.807 . 0 0 "[ . 1 . 2]" 1
284 1 45 TYR HB2 1 46 LEU H . . 3.790 2.733 2.629 2.836 . 0 0 "[ . 1 . 2]" 1
285 1 45 TYR HB2 1 46 LEU HA . . 4.920 4.278 4.266 4.297 . 0 0 "[ . 1 . 2]" 1
286 1 46 LEU H 1 46 LEU HB2 . . 3.900 2.553 2.378 2.679 . 0 0 "[ . 1 . 2]" 1
287 1 46 LEU H 1 46 LEU QB . . 3.270 2.260 2.231 2.270 . 0 0 "[ . 1 . 2]" 1
288 1 46 LEU H 1 46 LEU HB3 . . 3.900 2.532 2.410 2.700 . 0 0 "[ . 1 . 2]" 1
289 1 46 LEU H 1 47 TYR H . . 3.780 2.660 2.561 2.722 . 0 0 "[ . 1 . 2]" 1
290 1 46 LEU H 1 47 TYR HA . . 5.500 5.261 5.192 5.314 . 0 0 "[ . 1 . 2]" 1
291 1 46 LEU H 1 49 VAL H . . 5.420 4.804 4.634 5.044 . 0 0 "[ . 1 . 2]" 1
292 1 46 LEU HA 1 47 TYR HA . . 5.500 4.790 4.746 4.840 . 0 0 "[ . 1 . 2]" 1
293 1 46 LEU HA 1 48 SER H . . 4.970 4.256 4.136 4.420 . 0 0 "[ . 1 . 2]" 1
294 1 46 LEU HA 1 49 VAL H . . 4.630 3.482 3.276 3.716 . 0 0 "[ . 1 . 2]" 1
295 1 46 LEU QB 1 47 TYR H . . 3.520 2.375 2.266 2.551 . 0 0 "[ . 1 . 2]" 1
296 1 46 LEU QB 1 47 TYR HA . . 4.380 4.085 3.953 4.203 . 0 0 "[ . 1 . 2]" 1
297 1 46 LEU QB 1 49 VAL H . . 5.340 4.870 4.784 4.950 . 0 0 "[ . 1 . 2]" 1
298 1 46 LEU HB2 1 47 TYR H . . 4.080 3.755 3.620 3.880 . 0 0 "[ . 1 . 2]" 1
299 1 46 LEU HB2 1 47 TYR HA . . 5.120 5.575 5.535 5.604 0.484 19 0 "[ . 1 . 2]" 1
300 1 46 LEU HB3 1 47 TYR H . . 4.080 2.401 2.287 2.589 . 0 0 "[ . 1 . 2]" 1
301 1 46 LEU HB3 1 47 TYR HA . . 5.120 4.201 4.048 4.343 . 0 0 "[ . 1 . 2]" 1
302 1 47 TYR H 1 47 TYR HB2 . . 3.350 2.887 2.744 2.934 . 0 0 "[ . 1 . 2]" 1
303 1 47 TYR H 1 47 TYR HB3 . . 3.350 3.526 3.507 3.573 0.223 19 0 "[ . 1 . 2]" 1
304 1 47 TYR HA 1 49 VAL H . . 4.540 3.886 3.507 4.258 . 0 0 "[ . 1 . 2]" 1
305 1 47 TYR QB 1 48 SER H . . 3.740 2.744 2.592 2.814 . 0 0 "[ . 1 . 2]" 1
306 1 48 SER H 1 48 SER HB2 . . 3.990 2.253 2.198 2.332 . 0 0 "[ . 1 . 2]" 1
307 1 48 SER H 1 48 SER QB . . 3.460 2.178 2.138 2.239 . 0 0 "[ . 1 . 2]" 1
308 1 48 SER H 1 48 SER HB3 . . 3.990 2.895 2.860 2.927 . 0 0 "[ . 1 . 2]" 1
309 1 48 SER H 1 49 VAL H . . 3.400 2.522 2.417 2.631 . 0 0 "[ . 1 . 2]" 1
310 1 48 SER QB 1 49 VAL H . . 3.920 3.039 2.733 3.390 . 0 0 "[ . 1 . 2]" 1
311 1 48 SER HB2 1 49 VAL H . . 4.620 3.856 3.631 4.128 . 0 0 "[ . 1 . 2]" 1
312 1 48 SER HB3 1 49 VAL H . . 4.620 3.185 2.821 3.603 . 0 0 "[ . 1 . 2]" 1
313 1 49 VAL H 1 50 LYS H . . 5.500 2.360 1.996 2.702 . 0 0 "[ . 1 . 2]" 1
314 1 49 VAL HA 1 51 ASP H . . 4.540 6.133 5.525 6.391 1.851 17 20 [******-*********+***] 1
315 1 51 ASP H 1 51 ASP QB . . 3.320 2.420 2.174 3.154 . 0 0 "[ . 1 . 2]" 1
316 1 51 ASP H 1 54 LEU H . . 5.450 7.593 7.128 8.396 2.946 4 20 [***+***-************] 1
317 1 51 ASP H 1 54 LEU QB . . 4.880 8.219 7.666 8.901 4.021 12 20 [*******-***+********] 1
318 1 51 ASP H 1 55 ARG H . . 5.500 6.558 5.901 7.374 1.874 7 19 "[****-*+********* ***]" 1
319 1 51 ASP QB 1 54 LEU H . . 3.910 7.045 6.634 7.432 3.522 17 20 [******-*********+***] 1
320 1 51 ASP QB 1 54 LEU QB . . 3.690 7.685 7.397 8.317 4.627 12 20 [*******-***+********] 1
321 1 51 ASP QB 1 55 ARG H . . 4.340 6.873 6.609 7.141 2.801 17 20 [*-**************+***] 1
322 1 52 THR HA 1 54 LEU H . . 4.400 3.672 3.418 4.032 . 0 0 "[ . 1 . 2]" 1
323 1 52 THR HA 1 55 ARG H . . 4.470 4.181 3.986 4.323 . 0 0 "[ . 1 . 2]" 1
324 1 52 THR HA 1 55 ARG QB . . 4.220 4.394 4.035 4.682 0.462 11 0 "[ . 1 . 2]" 1
325 1 52 THR HA 1 56 GLN H . . 4.320 5.385 5.147 5.522 1.202 4 20 [***+*************-**] 1
326 1 53 HIS HA 1 55 ARG H . . 5.000 4.166 3.924 4.333 . 0 0 "[ . 1 . 2]" 1
327 1 53 HIS HA 1 56 GLN H . . 4.000 3.544 3.363 3.625 . 0 0 "[ . 1 . 2]" 1
328 1 53 HIS HA 1 56 GLN QB . . 3.940 3.983 3.231 4.221 0.281 1 0 "[ . 1 . 2]" 1
329 1 53 HIS HA 1 56 GLN QG . . 4.560 2.057 1.913 2.191 . 0 0 "[ . 1 . 2]" 1
330 1 54 LEU H 1 54 LEU HB2 . . 3.770 2.531 2.187 3.533 . 0 0 "[ . 1 . 2]" 1
331 1 54 LEU H 1 54 LEU QB . . 3.230 2.298 2.166 2.671 . 0 0 "[ . 1 . 2]" 1
332 1 54 LEU H 1 54 LEU HB3 . . 3.770 3.104 2.249 3.600 . 0 0 "[ . 1 . 2]" 1
333 1 54 LEU H 1 55 ARG H . . 3.630 2.614 2.527 2.770 . 0 0 "[ . 1 . 2]" 1
334 1 54 LEU H 1 56 GLN H . . 4.250 4.397 4.166 4.617 0.367 4 0 "[ . 1 . 2]" 1
335 1 54 LEU H 1 57 LYS H . . 4.930 4.644 4.467 4.836 . 0 0 "[ . 1 . 2]" 1
336 1 54 LEU QB 1 55 ARG H . . 4.380 2.808 2.597 3.487 . 0 0 "[ . 1 . 2]" 1
337 1 55 ARG H 1 55 ARG QB . . 3.190 2.228 2.171 2.244 . 0 0 "[ . 1 . 2]" 1
338 1 55 ARG H 1 56 GLN H . . 3.660 2.654 2.530 2.723 . 0 0 "[ . 1 . 2]" 1
339 1 55 ARG HA 1 58 TRP H . . 4.220 3.797 3.654 4.000 . 0 0 "[ . 1 . 2]" 1
340 1 55 ARG HA 1 58 TRP HB2 . . 5.070 3.868 3.299 4.284 . 0 0 "[ . 1 . 2]" 1
341 1 55 ARG HA 1 58 TRP QB . . 4.380 3.301 2.813 3.719 . 0 0 "[ . 1 . 2]" 1
342 1 55 ARG HA 1 58 TRP HB3 . . 5.070 3.624 2.908 4.172 . 0 0 "[ . 1 . 2]" 1
343 1 55 ARG QB 1 56 GLN H . . 3.780 2.334 2.262 2.620 . 0 0 "[ . 1 . 2]" 1
344 1 55 ARG QB 1 58 TRP QB . . 5.180 4.920 4.577 5.256 0.076 1 0 "[ . 1 . 2]" 1
345 1 55 ARG HB2 1 56 GLN H . . 4.380 3.688 3.532 3.888 . 0 0 "[ . 1 . 2]" 1
346 1 55 ARG HB3 1 56 GLN H . . 4.380 2.360 2.286 2.666 . 0 0 "[ . 1 . 2]" 1
347 1 56 GLN H 1 56 GLN QG . . 3.850 1.880 1.791 2.045 . 0 0 "[ . 1 . 2]" 1
348 1 56 GLN H 1 57 LYS H . . 3.600 2.588 2.476 2.776 . 0 0 "[ . 1 . 2]" 1
349 1 56 GLN HA 1 56 GLN QG . . 3.290 3.245 2.751 3.342 0.052 8 0 "[ . 1 . 2]" 1
350 1 56 GLN QB 1 57 LYS H . . 3.630 3.260 2.417 3.534 . 0 0 "[ . 1 . 2]" 1
351 1 56 GLN HB2 1 57 LYS H . . 4.460 3.443 2.443 3.872 . 0 0 "[ . 1 . 2]" 1
352 1 56 GLN HB3 1 57 LYS H . . 4.460 4.103 3.839 4.233 . 0 0 "[ . 1 . 2]" 1
353 1 57 LYS H 1 57 LYS QB . . 3.340 2.194 2.111 2.360 . 0 0 "[ . 1 . 2]" 1
354 1 57 LYS H 1 58 TRP H . . 3.730 2.709 2.627 2.848 . 0 0 "[ . 1 . 2]" 1
355 1 57 LYS HA 1 57 LYS QG . . 3.540 2.824 2.139 3.435 . 0 0 "[ . 1 . 2]" 1
356 1 57 LYS HA 1 58 TRP HA . . 4.980 4.771 4.735 4.842 . 0 0 "[ . 1 . 2]" 1
357 1 57 LYS HA 1 60 GLN H . . 4.100 3.514 3.384 3.645 . 0 0 "[ . 1 . 2]" 1
358 1 57 LYS QB 1 58 TRP H . . 3.440 2.938 2.527 3.498 0.058 2 0 "[ . 1 . 2]" 1
359 1 57 LYS QB 1 58 TRP HA . . 4.640 4.232 3.848 4.625 . 0 0 "[ . 1 . 2]" 1
360 1 57 LYS QB 1 58 TRP QB . . 4.760 4.221 3.887 4.819 0.059 18 0 "[ . 1 . 2]" 1
361 1 57 LYS QB 1 59 GLN H . . 4.860 5.018 4.779 5.413 0.553 18 1 "[ . 1 . + 2]" 1
362 1 57 LYS HB2 1 58 TRP H . . 4.220 3.686 2.865 4.194 . 0 0 "[ . 1 . 2]" 1
363 1 57 LYS HB3 1 58 TRP H . . 4.220 3.239 2.558 3.839 . 0 0 "[ . 1 . 2]" 1
364 1 57 LYS QG 1 58 TRP H . . 4.150 3.450 1.897 4.570 0.420 4 0 "[ . 1 . 2]" 1
365 1 57 LYS QG 1 58 TRP HA . . 5.070 4.147 2.912 5.857 0.787 9 6 "[ -** +1 *.* 2]" 1
366 1 57 LYS HG2 1 58 TRP H . . 4.750 4.122 2.498 5.292 0.542 4 1 "[ +. 1 . 2]" 1
367 1 57 LYS HG3 1 58 TRP H . . 4.750 3.888 1.904 5.269 0.519 16 1 "[ . 1 .+ 2]" 1
368 1 58 TRP H 1 58 TRP HB2 . . 3.830 2.505 2.282 2.719 . 0 0 "[ . 1 . 2]" 1
369 1 58 TRP H 1 58 TRP QB . . 3.270 2.236 2.186 2.264 . 0 0 "[ . 1 . 2]" 1
370 1 58 TRP H 1 58 TRP HB3 . . 3.830 2.564 2.350 2.798 . 0 0 "[ . 1 . 2]" 1
371 1 58 TRP H 1 59 GLN H . . 3.820 2.651 2.519 2.892 . 0 0 "[ . 1 . 2]" 1
372 1 58 TRP H 1 59 GLN QB . . 4.630 4.591 4.496 4.784 0.154 19 0 "[ . 1 . 2]" 1
373 1 58 TRP H 1 60 GLN H . . 4.510 3.929 3.859 4.000 . 0 0 "[ . 1 . 2]" 1
374 1 58 TRP HA 1 58 TRP HE3 . . 3.900 4.492 2.105 5.968 2.068 15 13 "[ **. ****** +*-**2]" 1
375 1 58 TRP HA 1 58 TRP HZ3 . . 5.120 5.344 3.088 7.217 2.097 10 9 "[* - + * **** *2]" 1
376 1 58 TRP HA 1 60 GLN H . . 4.740 4.339 4.155 4.647 . 0 0 "[ . 1 . 2]" 1
377 1 58 TRP HA 1 61 VAL H . . 4.140 3.779 3.572 3.929 . 0 0 "[ . 1 . 2]" 1
378 1 58 TRP HA 1 61 VAL HA . . 5.500 5.976 5.802 6.182 0.682 6 8 "[ -*.+* 1 *.* **2]" 1
379 1 58 TRP HA 1 62 TRP H . . 4.470 4.976 4.402 5.317 0.847 20 13 "[ ** . ** ***- * ***+]" 1
380 1 58 TRP QB 1 59 GLN H . . 4.000 2.459 2.295 2.640 . 0 0 "[ . 1 . 2]" 1
381 1 59 GLN H 1 59 GLN QB . . 3.500 2.365 2.308 2.512 . 0 0 "[ . 1 . 2]" 1
382 1 59 GLN H 1 60 GLN H . . 3.930 2.579 2.489 2.742 . 0 0 "[ . 1 . 2]" 1
383 1 59 GLN H 1 61 VAL H . . 4.670 4.266 3.965 4.487 . 0 0 "[ . 1 . 2]" 1
384 1 60 GLN H 1 61 VAL H . . 3.670 2.752 2.699 2.866 . 0 0 "[ . 1 . 2]" 1
385 1 60 GLN HA 1 60 GLN QG . . 3.570 2.583 2.348 3.261 . 0 0 "[ . 1 . 2]" 1
386 1 61 VAL H 1 62 TRP H . . 3.860 2.645 2.548 2.839 . 0 0 "[ . 1 . 2]" 1
387 1 61 VAL H 1 63 GLN H . . 4.540 4.011 3.868 4.201 . 0 0 "[ . 1 . 2]" 1
388 1 61 VAL HA 1 63 GLN H . . 5.100 4.437 4.331 4.679 . 0 0 "[ . 1 . 2]" 1
389 1 61 VAL HA 1 64 GLU H . . 3.690 3.831 3.715 3.916 0.226 18 0 "[ . 1 . 2]" 1
390 1 61 VAL HA 1 64 GLU QB . . 3.840 3.521 3.176 3.808 . 0 0 "[ . 1 . 2]" 1
391 1 61 VAL HA 1 64 GLU QG . . 4.390 3.505 2.956 5.145 0.755 16 1 "[ . 1 .+ 2]" 1
392 1 62 TRP H 1 63 GLN H . . 3.930 2.543 2.490 2.750 . 0 0 "[ . 1 . 2]" 1
393 1 63 GLN H 1 63 GLN HB2 . . 3.770 2.469 2.321 2.625 . 0 0 "[ . 1 . 2]" 1
394 1 63 GLN H 1 63 GLN QB . . 3.210 2.245 2.208 2.255 . 0 0 "[ . 1 . 2]" 1
395 1 63 GLN H 1 63 GLN HB3 . . 3.770 2.596 2.438 2.765 . 0 0 "[ . 1 . 2]" 1
396 1 63 GLN H 1 64 GLU H . . 3.610 2.762 2.684 2.847 . 0 0 "[ . 1 . 2]" 1
397 1 63 GLN H 1 64 GLU QB . . 5.340 4.663 4.492 4.801 . 0 0 "[ . 1 . 2]" 1
398 1 63 GLN QB 1 64 GLU H . . 2.920 2.703 2.497 2.803 . 0 0 "[ . 1 . 2]" 1
399 1 64 GLU H 1 64 GLU HB2 . . 3.940 2.328 2.115 2.512 . 0 0 "[ . 1 . 2]" 1
400 1 64 GLU H 1 64 GLU QB . . 3.150 2.297 2.079 2.467 . 0 0 "[ . 1 . 2]" 1
401 1 64 GLU H 1 64 GLU HB3 . . 3.940 3.530 3.061 3.601 . 0 0 "[ . 1 . 2]" 1
402 1 64 GLU H 1 64 GLU HG2 . . 3.790 3.295 2.233 4.331 0.541 16 1 "[ . 1 .+ 2]" 1
403 1 64 GLU H 1 64 GLU QG . . 3.130 2.570 2.201 3.665 0.535 16 1 "[ . 1 .+ 2]" 1
404 1 64 GLU H 1 64 GLU HG3 . . 3.790 2.960 2.222 3.956 0.166 16 0 "[ . 1 . 2]" 1
405 1 64 GLU H 1 65 ILE H . . 4.690 2.687 2.587 2.835 . 0 0 "[ . 1 . 2]" 1
406 1 64 GLU H 1 66 ASN H . . 4.250 4.113 3.863 4.363 0.113 19 0 "[ . 1 . 2]" 1
407 1 64 GLU HA 1 64 GLU HG2 . . 3.840 2.496 2.225 2.857 . 0 0 "[ . 1 . 2]" 1
408 1 64 GLU HA 1 64 GLU HG3 . . 3.840 3.227 2.704 3.781 . 0 0 "[ . 1 . 2]" 1
409 1 64 GLU HA 1 68 GLU H . . 4.170 4.208 3.660 4.894 0.724 20 2 "[ . 1- . +]" 1
410 1 64 GLU QB 1 65 ILE H . . 3.610 2.572 2.340 2.696 . 0 0 "[ . 1 . 2]" 1
411 1 64 GLU QB 1 66 ASN H . . 5.340 4.655 4.464 4.897 . 0 0 "[ . 1 . 2]" 1
412 1 64 GLU HB2 1 65 ILE H . . 4.150 2.701 2.377 3.409 . 0 0 "[ . 1 . 2]" 1
413 1 64 GLU HB3 1 65 ILE H . . 4.150 3.405 2.600 3.754 . 0 0 "[ . 1 . 2]" 1
414 1 65 ILE HA 1 68 GLU H . . 4.130 3.563 3.166 3.893 . 0 0 "[ . 1 . 2]" 1
415 1 65 ILE HA 1 69 ALA H . . 4.700 4.031 3.828 4.195 . 0 0 "[ . 1 . 2]" 1
416 1 66 ASN H 1 67 VAL H . . 3.910 2.650 2.383 2.824 . 0 0 "[ . 1 . 2]" 1
417 1 66 ASN HA 1 69 ALA H . . 4.080 3.651 3.336 3.853 . 0 0 "[ . 1 . 2]" 1
418 1 67 VAL HA 1 70 LYS QB . . 3.400 3.432 2.893 4.050 0.650 13 1 "[ . 1 + . 2]" 1
419 1 67 VAL HA 1 71 GLN H . . 4.990 4.737 4.151 5.097 0.108 2 0 "[ . 1 . 2]" 1
420 1 68 GLU H 1 69 ALA H . . 3.690 2.670 2.493 2.834 . 0 0 "[ . 1 . 2]" 1
421 1 68 GLU HA 1 71 GLN H . . 4.010 3.428 3.280 3.611 . 0 0 "[ . 1 . 2]" 1
422 1 68 GLU HA 1 71 GLN QG . . 4.170 4.364 3.802 5.087 0.917 4 2 "[ - +. 1 . 2]" 1
423 1 68 GLU HA 1 72 VAL H . . 5.020 4.556 3.795 4.899 . 0 0 "[ . 1 . 2]" 1
424 1 69 ALA H 1 70 LYS H . . 3.690 2.779 2.660 2.924 . 0 0 "[ . 1 . 2]" 1
425 1 69 ALA H 1 70 LYS HB2 . . 5.500 5.533 4.552 6.346 0.846 7 9 "[* ****+ *1 - . * 2]" 1
426 1 69 ALA H 1 70 LYS HB3 . . 5.500 5.478 4.618 6.421 0.921 19 4 "[ . - 1 * . +*]" 1
427 1 69 ALA HA 1 71 GLN H . . 4.700 4.138 3.991 4.394 . 0 0 "[ . 1 . 2]" 1
428 1 69 ALA HA 1 72 VAL H . . 4.300 3.462 3.230 3.711 . 0 0 "[ . 1 . 2]" 1
429 1 69 ALA HA 1 73 LYS H . . 5.290 4.606 4.241 4.941 . 0 0 "[ . 1 . 2]" 1
430 1 70 LYS H 1 70 LYS HB2 . . 4.170 2.918 2.064 3.594 . 0 0 "[ . 1 . 2]" 1
431 1 70 LYS H 1 70 LYS QB . . 3.590 2.387 2.043 2.896 . 0 0 "[ . 1 . 2]" 1
432 1 70 LYS H 1 70 LYS HB3 . . 4.170 2.881 2.203 3.565 . 0 0 "[ . 1 . 2]" 1
433 1 70 LYS HA 1 73 LYS H . . 3.890 3.636 3.484 3.803 . 0 0 "[ . 1 . 2]" 1
434 1 70 LYS QB 1 71 GLN H . . 3.760 3.105 2.580 3.525 . 0 0 "[ . 1 . 2]" 1
435 1 70 LYS HB2 1 71 GLN H . . 4.290 3.599 2.620 4.152 . 0 0 "[ . 1 . 2]" 1
436 1 70 LYS HB3 1 71 GLN H . . 4.290 3.608 2.695 4.237 . 0 0 "[ . 1 . 2]" 1
437 1 71 GLN H 1 71 GLN HB2 . . 3.770 2.304 2.179 2.546 . 0 0 "[ . 1 . 2]" 1
438 1 71 GLN H 1 71 GLN QB . . 3.190 2.191 2.125 2.254 . 0 0 "[ . 1 . 2]" 1
439 1 71 GLN H 1 71 GLN HB3 . . 3.770 2.793 2.514 2.949 . 0 0 "[ . 1 . 2]" 1
440 1 71 GLN H 1 71 GLN QG . . 3.280 3.938 3.776 4.063 0.783 17 19 "[************* -*+***]" 1
441 1 71 GLN H 1 72 VAL H . . 3.700 2.616 2.466 2.851 . 0 0 "[ . 1 . 2]" 1
442 1 71 GLN H 1 73 LYS H . . 4.300 4.261 3.924 4.561 0.261 19 0 "[ . 1 . 2]" 1
443 1 71 GLN HA 1 71 GLN QG . . 3.180 2.342 2.145 2.705 . 0 0 "[ . 1 . 2]" 1
444 1 71 GLN HA 1 74 ASP H . . 3.740 3.536 3.377 3.656 . 0 0 "[ . 1 . 2]" 1
445 1 71 GLN HA 1 74 ASP HB2 . . 4.120 3.354 2.917 4.658 0.538 13 3 "[ - * 1 + . 2]" 1
446 1 71 GLN HA 1 74 ASP QB . . 3.540 3.001 2.782 3.408 . 0 0 "[ . 1 . 2]" 1
447 1 71 GLN HA 1 74 ASP HB3 . . 4.120 3.705 3.051 4.603 0.483 17 0 "[ . 1 . 2]" 1
448 1 71 GLN QB 1 72 VAL H . . 3.630 2.561 2.423 2.857 . 0 0 "[ . 1 . 2]" 1
449 1 72 VAL H 1 73 LYS H . . 3.500 2.775 2.491 2.927 . 0 0 "[ . 1 . 2]" 1
450 1 72 VAL H 1 74 ASP H . . 4.350 4.151 3.978 4.295 . 0 0 "[ . 1 . 2]" 1
451 1 72 VAL HA 1 74 ASP H . . 4.250 4.115 4.034 4.389 0.139 5 0 "[ . 1 . 2]" 1
452 1 72 VAL HA 1 75 ILE H . . 4.100 3.431 3.257 3.608 . 0 0 "[ . 1 . 2]" 1
453 1 72 VAL HA 1 76 MET H . . 4.340 4.341 3.815 4.792 0.452 11 0 "[ . 1 . 2]" 1
454 1 73 LYS H 1 74 ASP HA . . 5.400 5.340 5.219 5.413 0.013 16 0 "[ . 1 . 2]" 1
455 1 73 LYS H 1 74 ASP HB2 . . 5.500 5.078 4.655 6.242 0.742 7 3 "[ * + 1 - . 2]" 1
456 1 73 LYS H 1 74 ASP HB3 . . 5.500 5.282 4.747 6.279 0.779 17 2 "[ - . 1 . + 2]" 1
457 1 73 LYS H 1 75 ILE H . . 5.140 4.228 4.025 4.323 . 0 0 "[ . 1 . 2]" 1
458 1 73 LYS H 1 76 MET H . . 4.990 4.972 4.819 5.165 0.175 11 0 "[ . 1 . 2]" 1
459 1 74 ASP H 1 74 ASP HB2 . . 3.530 2.495 2.192 3.583 0.053 13 0 "[ . 1 . 2]" 1
460 1 74 ASP H 1 74 ASP QB . . 2.890 2.209 2.143 2.360 . 0 0 "[ . 1 . 2]" 1
461 1 74 ASP H 1 74 ASP HB3 . . 3.530 2.759 2.212 3.507 . 0 0 "[ . 1 . 2]" 1
462 1 74 ASP H 1 75 ILE H . . 3.400 2.651 2.524 2.752 . 0 0 "[ . 1 . 2]" 1
463 1 74 ASP H 1 76 MET H . . 3.990 4.481 4.243 4.675 0.685 11 10 "[****. 1+* *.- * *]" 1
464 1 74 ASP HA 1 76 MET H . . 4.390 5.011 4.779 5.178 0.788 20 18 "[************ ***-* +]" 1
465 1 74 ASP QB 1 75 ILE H . . 3.600 2.860 2.732 3.515 . 0 0 "[ . 1 . 2]" 1
466 1 74 ASP HB2 1 75 ILE H . . 4.120 3.775 2.959 4.130 0.010 7 0 "[ . 1 . 2]" 1
467 1 74 ASP HB3 1 75 ILE H . . 4.120 3.025 2.789 3.864 . 0 0 "[ . 1 . 2]" 1
468 1 75 ILE H 1 76 MET HA . . 5.500 5.199 5.138 5.265 . 0 0 "[ . 1 . 2]" 1
469 1 77 LYS HA 1 77 LYS HG2 . . 4.120 4.075 3.867 4.238 0.118 18 0 "[ . 1 . 2]" 1
470 1 77 LYS HA 1 77 LYS HG3 . . 4.120 3.602 3.564 3.651 . 0 0 "[ . 1 . 2]" 1
471 1 77 LYS HA 1 78 THR H . . 2.850 2.689 2.211 3.434 0.584 14 5 "[- . 1 * +.* * 2]" 1
472 1 77 LYS QB 1 78 THR H . . 3.780 3.183 2.527 4.002 0.222 10 0 "[ . 1 . 2]" 1
473 1 77 LYS QG 1 78 THR H . . 3.740 3.316 2.390 4.050 0.310 11 0 "[ . 1 . 2]" 1
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