NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601466 |
2n2z   |
25630 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n2z
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 565
_Distance_constraint_stats_list.Viol_count 636
_Distance_constraint_stats_list.Viol_total 512.532
_Distance_constraint_stats_list.Viol_max 1.399
_Distance_constraint_stats_list.Viol_rms 0.0741
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0806
_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 LEU 0.014 0.005 3 0 "[ . 1]"
1 2 THR 0.000 0.000 . 0 "[ . 1]"
1 3 CYS 0.269 0.163 4 0 "[ . 1]"
1 4 GLY 0.026 0.026 4 0 "[ . 1]"
1 5 GLN 0.269 0.050 6 0 "[ . 1]"
1 6 VAL 0.368 0.146 3 0 "[ . 1]"
1 7 THR 0.017 0.010 3 0 "[ . 1]"
1 8 GLY 0.239 0.050 6 0 "[ . 1]"
1 9 ALA 0.150 0.049 6 0 "[ . 1]"
1 10 LEU 0.283 0.039 4 0 "[ . 1]"
1 11 ALA 10.236 1.399 4 9 "[-**+**** *]"
1 12 PRO 0.000 0.000 . 0 "[ . 1]"
1 13 CYS 1.464 0.232 4 0 "[ . 1]"
1 14 LEU 10.327 1.399 4 9 "[-**+**** *]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 TYR 0.710 0.100 9 0 "[ . 1]"
1 17 LEU 0.409 0.055 9 0 "[ . 1]"
1 18 ARG 0.240 0.086 9 0 "[ . 1]"
1 19 THR 11.359 1.320 8 9 "[*-*****+ *]"
1 20 ALA 11.205 1.320 8 9 "[*-*****+ *]"
1 21 GLY 0.058 0.023 9 0 "[ . 1]"
1 22 SER 0.010 0.010 7 0 "[ . 1]"
1 23 VAL 0.466 0.069 9 0 "[ . 1]"
1 24 PRO 0.000 0.000 . 0 "[ . 1]"
1 25 VAL 3.807 0.207 10 0 "[ . 1]"
1 26 PRO 0.524 0.181 8 0 "[ . 1]"
1 27 LEU 0.000 0.000 . 0 "[ . 1]"
1 28 THR 0.649 0.091 5 0 "[ . 1]"
1 29 CYS 1.420 0.207 10 0 "[ . 1]"
1 30 CYS 0.109 0.029 7 0 "[ . 1]"
1 31 ASN 1.453 0.091 5 0 "[ . 1]"
1 32 GLY 0.223 0.039 9 0 "[ . 1]"
1 33 VAL 0.102 0.020 2 0 "[ . 1]"
1 34 ARG 0.519 0.067 6 0 "[ . 1]"
1 35 GLY 0.000 0.000 . 0 "[ . 1]"
1 36 LEU 0.632 0.039 4 0 "[ . 1]"
1 37 ASN 0.628 0.099 2 0 "[ . 1]"
1 38 ASN 0.003 0.003 7 0 "[ . 1]"
1 39 ALA 0.005 0.005 6 0 "[ . 1]"
1 40 ALA 0.011 0.006 2 0 "[ . 1]"
1 41 ARG 0.000 0.000 . 0 "[ . 1]"
1 42 THR 0.048 0.036 8 0 "[ . 1]"
1 43 THR 0.405 0.245 8 0 "[ . 1]"
1 44 ILE 2.135 0.141 8 0 "[ . 1]"
1 45 ASP 0.156 0.036 8 0 "[ . 1]"
1 46 ARG 0.911 0.245 8 0 "[ . 1]"
1 47 ARG 0.196 0.065 8 0 "[ . 1]"
1 48 THR 0.258 0.097 8 0 "[ . 1]"
1 49 ALA 0.042 0.011 9 0 "[ . 1]"
1 50 CYS 0.037 0.010 4 0 "[ . 1]"
1 51 ASN 0.000 0.000 . 0 "[ . 1]"
1 52 CYS 0.673 0.163 4 0 "[ . 1]"
1 53 LEU 0.237 0.146 3 0 "[ . 1]"
1 54 LYS 0.000 0.000 . 0 "[ . 1]"
1 55 GLN 0.083 0.019 2 0 "[ . 1]"
1 56 THR 0.016 0.012 9 0 "[ . 1]"
1 57 ALA 0.088 0.021 4 0 "[ . 1]"
1 58 ASN 0.459 0.151 10 0 "[ . 1]"
1 59 ALA 0.033 0.025 3 0 "[ . 1]"
1 60 ILE 1.044 0.247 9 0 "[ . 1]"
1 61 ALA 0.839 0.235 9 0 "[ . 1]"
1 62 ASP 0.839 0.235 9 0 "[ . 1]"
1 63 LEU 1.858 0.260 9 0 "[ . 1]"
1 64 ASN 0.646 0.113 9 0 "[ . 1]"
1 65 LEU 0.452 0.050 3 0 "[ . 1]"
1 66 ASN 0.156 0.047 2 0 "[ . 1]"
1 67 ALA 0.332 0.095 3 0 "[ . 1]"
1 68 ALA 7.084 0.949 8 8 "[ -* ***+**]"
1 69 ALA 0.268 0.047 2 0 "[ . 1]"
1 70 GLY 0.145 0.024 7 0 "[ . 1]"
1 71 LEU 7.247 0.949 8 8 "[ -* ***+**]"
1 72 PRO 0.043 0.007 8 0 "[ . 1]"
1 73 ALA 0.000 0.000 . 0 "[ . 1]"
1 74 LYS 1.564 0.099 6 0 "[ . 1]"
1 75 CYS 0.620 0.113 8 0 "[ . 1]"
1 76 GLY 0.013 0.004 4 0 "[ . 1]"
1 77 VAL 1.867 0.460 5 0 "[ . 1]"
1 78 ASN 0.190 0.054 2 0 "[ . 1]"
1 79 ILE 2.046 0.460 5 0 "[ . 1]"
1 80 PRO 0.000 0.000 . 0 "[ . 1]"
1 81 TYR 0.562 0.115 6 0 "[ . 1]"
1 82 LYS 0.177 0.110 10 0 "[ . 1]"
1 83 ILE 1.304 0.142 8 0 "[ . 1]"
1 84 SER 0.509 0.509 10 1 "[ . +]"
1 85 PRO 0.747 0.509 10 1 "[ . +]"
1 86 SER 0.661 0.151 10 0 "[ . 1]"
1 87 THR 0.343 0.142 8 0 "[ . 1]"
1 88 ASP 0.036 0.025 6 0 "[ . 1]"
1 89 CYS 0.000 0.000 . 0 "[ . 1]"
1 90 ASN 0.000 0.000 . 0 "[ . 1]"
1 91 ARG 0.124 0.048 2 0 "[ . 1]"
1 92 VAL 0.065 0.013 10 0 "[ . 1]"
1 93 VAL 0.108 0.076 8 0 "[ . 1]"
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 LEU HA 1 1 LEU MD1 . . 3.230 2.115 1.944 2.448 . 0 0 "[ . 1]" 1
2 1 1 LEU HA 1 2 THR H . . 2.950 2.179 2.143 2.249 . 0 0 "[ . 1]" 1
3 1 1 LEU HB2 1 1 LEU MD2 . . 3.380 2.332 2.122 2.633 . 0 0 "[ . 1]" 1
4 1 1 LEU HB3 1 2 THR H . . 4.250 3.622 2.986 4.143 . 0 0 "[ . 1]" 1
5 1 1 LEU HB3 1 6 VAL MG2 . . 3.360 2.926 1.955 3.365 0.005 3 0 "[ . 1]" 1
6 1 1 LEU MD1 1 5 GLN HB2 . . 3.530 2.947 2.484 3.503 . 0 0 "[ . 1]" 1
7 1 1 LEU MD1 1 5 GLN HB3 . . 3.700 3.392 3.074 3.704 0.004 6 0 "[ . 1]" 1
8 1 1 LEU MD1 1 39 ALA MB . . 3.250 2.893 2.333 3.255 0.005 6 0 "[ . 1]" 1
9 1 1 LEU MD2 1 40 ALA MB . . 3.320 2.894 2.301 3.286 . 0 0 "[ . 1]" 1
10 1 1 LEU MD2 1 49 ALA MB . . 3.000 2.598 1.977 2.984 . 0 0 "[ . 1]" 1
11 1 2 THR H 1 2 THR MG . . 3.460 2.718 2.046 3.106 . 0 0 "[ . 1]" 1
12 1 2 THR H 1 5 GLN H . . 4.210 3.720 2.728 4.127 . 0 0 "[ . 1]" 1
13 1 2 THR HA 1 2 THR MG . . 2.820 2.351 2.156 2.545 . 0 0 "[ . 1]" 1
14 1 2 THR HA 1 3 CYS H . . 3.560 2.313 2.163 2.556 . 0 0 "[ . 1]" 1
15 1 2 THR HB 1 3 CYS H . . 3.520 2.720 2.190 3.176 . 0 0 "[ . 1]" 1
16 1 2 THR HB 1 4 GLY H . . 3.630 2.883 2.368 3.610 . 0 0 "[ . 1]" 1
17 1 3 CYS H 1 3 CYS HB2 . . 3.700 2.425 2.342 2.540 . 0 0 "[ . 1]" 1
18 1 3 CYS H 1 4 GLY H . . 3.640 2.926 2.841 3.036 . 0 0 "[ . 1]" 1
19 1 3 CYS HA 1 6 VAL H . . 5.140 3.653 3.294 4.204 . 0 0 "[ . 1]" 1
20 1 3 CYS HA 1 6 VAL MG2 . . 3.770 2.675 1.988 3.617 . 0 0 "[ . 1]" 1
21 1 3 CYS HB3 1 52 CYS QB . . 4.170 4.181 4.078 4.333 0.163 4 0 "[ . 1]" 1
22 1 4 GLY H 1 5 GLN H . . 3.530 3.067 2.526 3.556 0.026 4 0 "[ . 1]" 1
23 1 4 GLY QA 1 5 GLN H . . 3.910 2.506 2.276 2.687 . 0 0 "[ . 1]" 1
24 1 5 GLN H 1 5 GLN HB2 . . 3.110 2.404 2.192 2.627 . 0 0 "[ . 1]" 1
25 1 5 GLN H 1 5 GLN HB3 . . 4.080 3.570 3.498 3.611 . 0 0 "[ . 1]" 1
26 1 5 GLN H 1 6 VAL H . . 3.110 2.568 2.414 2.652 . 0 0 "[ . 1]" 1
27 1 5 GLN HA 1 6 VAL H . . 4.220 3.533 3.485 3.563 . 0 0 "[ . 1]" 1
28 1 5 GLN HA 1 8 GLY QA . . 3.280 3.304 3.279 3.330 0.050 6 0 "[ . 1]" 1
29 1 5 GLN HB2 1 6 VAL H . . 3.400 2.651 2.333 3.016 . 0 0 "[ . 1]" 1
30 1 6 VAL H 1 6 VAL HB . . 3.430 2.646 2.390 2.835 . 0 0 "[ . 1]" 1
31 1 6 VAL H 1 6 VAL MG2 . . 3.090 1.948 1.868 2.411 . 0 0 "[ . 1]" 1
32 1 6 VAL H 1 7 THR H . . 3.170 3.085 3.009 3.127 . 0 0 "[ . 1]" 1
33 1 6 VAL HA 1 6 VAL MG1 . . 3.110 2.405 2.326 2.566 . 0 0 "[ . 1]" 1
34 1 6 VAL HA 1 6 VAL MG2 . . 3.030 2.393 2.162 2.452 . 0 0 "[ . 1]" 1
35 1 6 VAL HA 1 9 ALA H . . 4.950 3.751 3.680 3.833 . 0 0 "[ . 1]" 1
36 1 6 VAL HA 1 9 ALA MB . . 3.030 3.044 3.021 3.079 0.049 6 0 "[ . 1]" 1
37 1 6 VAL HA 1 36 LEU MD2 . . 3.270 2.501 2.086 3.090 . 0 0 "[ . 1]" 1
38 1 6 VAL HB 1 7 THR H . . 3.400 2.178 2.094 2.336 . 0 0 "[ . 1]" 1
39 1 6 VAL MG1 1 7 THR HA . . 3.590 3.266 2.850 3.597 0.007 10 0 "[ . 1]" 1
40 1 6 VAL MG1 1 49 ALA MB . . 3.020 2.378 2.139 3.016 . 0 0 "[ . 1]" 1
41 1 6 VAL MG1 1 52 CYS QB . . 3.410 2.888 2.368 3.254 . 0 0 "[ . 1]" 1
42 1 6 VAL MG1 1 53 LEU HB2 . . 3.480 3.369 3.199 3.626 0.146 3 0 "[ . 1]" 1
43 1 6 VAL MG1 1 53 LEU HG . . 3.370 1.801 1.756 2.026 . 0 0 "[ . 1]" 1
44 1 6 VAL MG2 1 49 ALA H . . 4.100 4.041 3.881 4.107 0.007 6 0 "[ . 1]" 1
45 1 6 VAL MG2 1 49 ALA HA . . 3.080 2.183 1.966 2.352 . 0 0 "[ . 1]" 1
46 1 6 VAL MG2 1 49 ALA MB . . 3.160 1.865 1.640 2.155 . 0 0 "[ . 1]" 1
47 1 6 VAL MG2 1 52 CYS QB . . 3.430 3.386 3.194 3.454 0.024 6 0 "[ . 1]" 1
48 1 7 THR H 1 7 THR HB . . 3.110 2.940 2.804 3.022 . 0 0 "[ . 1]" 1
49 1 7 THR H 1 8 GLY H . . 3.510 2.667 2.611 2.710 . 0 0 "[ . 1]" 1
50 1 7 THR HA 1 7 THR MG . . 3.050 2.145 2.080 2.218 . 0 0 "[ . 1]" 1
51 1 7 THR HA 1 8 GLY H . . 3.890 3.526 3.503 3.549 . 0 0 "[ . 1]" 1
52 1 7 THR HA 1 10 LEU HB2 . . 3.960 2.911 2.721 3.081 . 0 0 "[ . 1]" 1
53 1 7 THR HB 1 8 GLY H . . 3.260 2.760 2.618 2.925 . 0 0 "[ . 1]" 1
54 1 7 THR MG 1 53 LEU MD2 . . 3.060 3.023 2.947 3.070 0.010 3 0 "[ . 1]" 1
55 1 8 GLY H 1 8 GLY QA . . 2.660 2.199 2.193 2.203 . 0 0 "[ . 1]" 1
56 1 8 GLY H 1 9 ALA H . . 3.340 2.666 2.614 2.760 . 0 0 "[ . 1]" 1
57 1 8 GLY QA 1 9 ALA H . . 3.710 2.819 2.779 2.852 . 0 0 "[ . 1]" 1
58 1 8 GLY QA 1 11 ALA MB . . 3.110 2.567 2.384 2.769 . 0 0 "[ . 1]" 1
59 1 9 ALA H 1 9 ALA MB . . 2.870 2.136 2.102 2.186 . 0 0 "[ . 1]" 1
60 1 9 ALA H 1 10 LEU H . . 3.450 2.386 2.283 2.518 . 0 0 "[ . 1]" 1
61 1 9 ALA MB 1 10 LEU H . . 2.960 2.749 2.601 2.959 . 0 0 "[ . 1]" 1
62 1 9 ALA MB 1 36 LEU MD2 . . 3.040 2.849 2.635 3.040 . 0 0 "[ . 1]" 1
63 1 10 LEU H 1 10 LEU HG . . 3.670 3.174 2.828 3.682 0.012 7 0 "[ . 1]" 1
64 1 10 LEU H 1 11 ALA H . . 3.220 2.440 2.324 2.553 . 0 0 "[ . 1]" 1
65 1 10 LEU HA 1 10 LEU MD2 . . 3.310 1.981 1.873 2.317 . 0 0 "[ . 1]" 1
66 1 10 LEU HA 1 11 ALA H . . 4.430 3.219 3.132 3.338 . 0 0 "[ . 1]" 1
67 1 10 LEU HA 1 36 LEU MD1 . . 4.340 4.362 4.301 4.379 0.039 4 0 "[ . 1]" 1
68 1 10 LEU HB2 1 10 LEU MD1 . . 3.390 2.660 2.212 3.102 . 0 0 "[ . 1]" 1
69 1 10 LEU HB2 1 10 LEU MD2 . . 3.430 3.028 2.669 3.188 . 0 0 "[ . 1]" 1
70 1 10 LEU HB3 1 10 LEU MD2 . . 3.480 2.702 2.144 3.130 . 0 0 "[ . 1]" 1
71 1 10 LEU MD2 1 33 VAL HA . . 3.950 3.000 2.237 3.956 0.006 2 0 "[ . 1]" 1
72 1 11 ALA H 1 11 ALA MB . . 2.970 2.053 2.024 2.123 . 0 0 "[ . 1]" 1
73 1 11 ALA H 1 12 PRO HD2 . . 3.810 2.129 2.064 2.197 . 0 0 "[ . 1]" 1
74 1 11 ALA H 1 12 PRO HD3 . . 3.700 3.153 3.086 3.205 . 0 0 "[ . 1]" 1
75 1 11 ALA HA 1 11 ALA MB . . 2.610 2.087 2.082 2.097 . 0 0 "[ . 1]" 1
76 1 11 ALA HA 1 14 LEU H . . 4.140 3.845 3.655 4.126 . 0 0 "[ . 1]" 1
77 1 11 ALA HA 1 14 LEU QB . . 3.230 4.233 3.664 4.629 1.399 4 9 "[-**+**** *]" 1
78 1 11 ALA HA 1 14 LEU MD1 . . 3.300 3.293 3.102 3.425 0.125 4 0 "[ . 1]" 1
79 1 11 ALA MB 1 12 PRO HD3 . . 2.730 1.977 1.912 2.075 . 0 0 "[ . 1]" 1
80 1 12 PRO HG2 1 29 CYS HA . . 3.810 2.762 2.476 3.021 . 0 0 "[ . 1]" 1
81 1 13 CYS H 1 13 CYS HB2 . . 3.030 2.489 2.295 2.665 . 0 0 "[ . 1]" 1
82 1 13 CYS H 1 13 CYS HB3 . . 3.510 3.656 3.566 3.742 0.232 4 0 "[ . 1]" 1
83 1 13 CYS H 1 14 LEU H . . 2.950 2.183 2.029 2.260 . 0 0 "[ . 1]" 1
84 1 13 CYS HA 1 29 CYS HB2 . . 2.970 2.658 2.220 2.977 0.007 9 0 "[ . 1]" 1
85 1 13 CYS HB2 1 14 LEU H . . 4.430 2.994 2.823 3.636 . 0 0 "[ . 1]" 1
86 1 13 CYS HB3 1 71 LEU QD . . 3.690 2.355 2.003 2.575 . 0 0 "[ . 1]" 1
87 1 14 LEU H 1 14 LEU QB . . 3.140 2.463 2.322 2.651 . 0 0 "[ . 1]" 1
88 1 14 LEU H 1 14 LEU MD1 . . 4.110 3.827 3.691 3.975 . 0 0 "[ . 1]" 1
89 1 14 LEU H 1 14 LEU MD2 . . 3.970 2.732 1.849 3.532 . 0 0 "[ . 1]" 1
90 1 14 LEU H 1 15 GLY H . . 3.600 2.849 2.697 3.043 . 0 0 "[ . 1]" 1
91 1 14 LEU HA 1 14 LEU MD2 . . 2.780 1.983 1.888 2.108 . 0 0 "[ . 1]" 1
92 1 14 LEU HA 1 17 LEU HB2 . . 3.230 2.836 2.113 3.251 0.021 9 0 "[ . 1]" 1
93 1 14 LEU QB 1 15 GLY H . . 4.390 2.568 2.119 2.947 . 0 0 "[ . 1]" 1
94 1 14 LEU MD1 1 18 ARG HD2 . . 3.770 3.760 3.699 3.822 0.052 8 0 "[ . 1]" 1
95 1 15 GLY H 1 15 GLY HA3 . . 3.100 2.304 2.296 2.309 . 0 0 "[ . 1]" 1
96 1 15 GLY H 1 16 TYR H . . 3.430 2.874 2.676 3.051 . 0 0 "[ . 1]" 1
97 1 15 GLY HA2 1 16 TYR H . . 4.190 3.556 3.509 3.570 . 0 0 "[ . 1]" 1
98 1 15 GLY HA2 1 18 ARG H . . 4.200 3.550 3.381 3.841 . 0 0 "[ . 1]" 1
99 1 15 GLY HA3 1 16 TYR H . . 3.570 2.699 2.588 2.912 . 0 0 "[ . 1]" 1
100 1 16 TYR H 1 16 TYR HB2 . . 3.390 2.559 2.378 2.834 . 0 0 "[ . 1]" 1
101 1 16 TYR H 1 16 TYR HB3 . . 3.370 2.523 2.351 2.690 . 0 0 "[ . 1]" 1
102 1 16 TYR H 1 17 LEU H . . 3.470 2.658 2.358 2.875 . 0 0 "[ . 1]" 1
103 1 16 TYR HA 1 16 TYR QD . . 3.420 2.559 2.389 2.831 . 0 0 "[ . 1]" 1
104 1 16 TYR HA 1 17 LEU H . . 4.080 3.514 3.434 3.565 . 0 0 "[ . 1]" 1
105 1 16 TYR HA 1 19 THR MG . . 3.500 3.491 3.373 3.600 0.100 9 0 "[ . 1]" 1
106 1 16 TYR HA 1 23 VAL MG2 . . 3.720 3.765 3.741 3.789 0.069 9 0 "[ . 1]" 1
107 1 16 TYR HB3 1 17 LEU H . . 3.490 2.706 2.307 3.108 . 0 0 "[ . 1]" 1
108 1 16 TYR HB3 1 17 LEU QD . . 3.810 3.334 2.605 3.719 . 0 0 "[ . 1]" 1
109 1 16 TYR QD 1 17 LEU H . . 3.830 3.805 3.577 3.854 0.024 2 0 "[ . 1]" 1
110 1 16 TYR QD 1 17 LEU QD . . 3.450 2.583 2.295 2.867 . 0 0 "[ . 1]" 1
111 1 16 TYR QD 1 23 VAL MG2 . . 3.190 2.429 2.236 2.669 . 0 0 "[ . 1]" 1
112 1 16 TYR QD 1 25 VAL HA . . 5.500 4.140 3.776 4.678 . 0 0 "[ . 1]" 1
113 1 16 TYR QD 1 67 ALA MB . . 3.840 3.149 2.745 3.407 . 0 0 "[ . 1]" 1
114 1 16 TYR QD 1 71 LEU QD . . 3.750 2.523 2.433 2.646 . 0 0 "[ . 1]" 1
115 1 16 TYR QE 1 17 LEU QD . . 3.970 3.876 3.660 3.971 0.001 9 0 "[ . 1]" 1
116 1 16 TYR QE 1 23 VAL MG2 . . 3.270 1.919 1.840 2.115 . 0 0 "[ . 1]" 1
117 1 16 TYR QE 1 25 VAL HA . . 4.930 3.226 2.956 3.418 . 0 0 "[ . 1]" 1
118 1 16 TYR QE 1 25 VAL MG2 . . 3.770 3.161 3.002 3.377 . 0 0 "[ . 1]" 1
119 1 16 TYR QE 1 67 ALA MB . . 3.670 2.879 2.623 3.155 . 0 0 "[ . 1]" 1
120 1 16 TYR QE 1 71 LEU QD . . 3.490 3.295 3.250 3.341 . 0 0 "[ . 1]" 1
121 1 17 LEU H 1 17 LEU HB2 . . 3.020 2.652 2.454 2.885 . 0 0 "[ . 1]" 1
122 1 17 LEU H 1 17 LEU HB3 . . 3.560 3.581 3.536 3.602 0.042 7 0 "[ . 1]" 1
123 1 17 LEU H 1 17 LEU QD . . 3.660 2.888 2.459 3.127 . 0 0 "[ . 1]" 1
124 1 17 LEU H 1 17 LEU HG . . 3.060 2.044 1.851 2.329 . 0 0 "[ . 1]" 1
125 1 17 LEU H 1 18 ARG H . . 3.600 2.552 2.473 2.661 . 0 0 "[ . 1]" 1
126 1 17 LEU HA 1 17 LEU QD . . 2.680 2.298 2.001 2.622 . 0 0 "[ . 1]" 1
127 1 17 LEU HA 1 17 LEU HG . . 3.480 3.211 3.061 3.535 0.055 9 0 "[ . 1]" 1
128 1 17 LEU HA 1 18 ARG H . . 3.830 3.517 3.491 3.534 . 0 0 "[ . 1]" 1
129 1 17 LEU HA 1 67 ALA MB . . 3.360 2.304 1.974 2.633 . 0 0 "[ . 1]" 1
130 1 17 LEU HB2 1 17 LEU QD . . 3.240 2.141 1.968 2.277 . 0 0 "[ . 1]" 1
131 1 17 LEU HB2 1 18 ARG H . . 3.810 2.707 2.654 2.841 . 0 0 "[ . 1]" 1
132 1 17 LEU HB3 1 17 LEU QD . . 2.750 2.064 1.981 2.144 . 0 0 "[ . 1]" 1
133 1 17 LEU QD 1 18 ARG HD2 . . 3.950 3.907 3.869 3.939 . 0 0 "[ . 1]" 1
134 1 17 LEU QD 1 67 ALA MB . . 2.980 2.876 2.697 2.990 0.010 9 0 "[ . 1]" 1
135 1 17 LEU QD 1 68 ALA HA . . 2.860 1.892 1.835 2.043 . 0 0 "[ . 1]" 1
136 1 17 LEU QD 1 68 ALA MB . . 3.230 1.825 1.680 2.154 . 0 0 "[ . 1]" 1
137 1 18 ARG H 1 18 ARG HB2 . . 3.340 2.360 2.299 2.431 . 0 0 "[ . 1]" 1
138 1 18 ARG H 1 18 ARG HB3 . . 3.900 3.603 3.568 3.645 . 0 0 "[ . 1]" 1
139 1 18 ARG H 1 18 ARG HG3 . . 3.530 3.306 3.014 3.543 0.013 7 0 "[ . 1]" 1
140 1 18 ARG H 1 19 THR H . . 3.100 2.429 2.250 2.529 . 0 0 "[ . 1]" 1
141 1 18 ARG HA 1 19 THR H . . 4.590 3.223 3.123 3.449 . 0 0 "[ . 1]" 1
142 1 18 ARG HA 1 64 ASN H . . 4.010 3.729 2.722 4.010 . 8 0 "[ . 1]" 1
143 1 18 ARG HD2 1 60 ILE MG . . 3.620 3.029 2.120 3.612 . 0 0 "[ . 1]" 1
144 1 18 ARG HG2 1 60 ILE MG . . 3.270 3.167 2.423 3.356 0.086 9 0 "[ . 1]" 1
145 1 19 THR H 1 19 THR HB . . 3.540 2.329 2.261 2.459 . 0 0 "[ . 1]" 1
146 1 19 THR H 1 19 THR MG . . 3.830 3.681 3.586 3.758 . 0 0 "[ . 1]" 1
147 1 19 THR HA 1 19 THR MG . . 2.970 2.532 2.410 2.629 . 0 0 "[ . 1]" 1
148 1 19 THR HA 1 20 ALA H . . 2.900 2.241 2.142 2.397 . 0 0 "[ . 1]" 1
149 1 19 THR HB 1 20 ALA H . . 3.270 4.385 3.645 4.590 1.320 8 9 "[*-*****+ *]" 1
150 1 19 THR HB 1 23 VAL MG2 . . 3.660 3.423 2.991 3.663 0.003 6 0 "[ . 1]" 1
151 1 19 THR MG 1 21 GLY H . . 4.630 3.978 1.879 4.648 0.018 8 0 "[ . 1]" 1
152 1 19 THR MG 1 23 VAL MG1 . . 2.950 2.698 2.354 2.948 . 0 0 "[ . 1]" 1
153 1 19 THR MG 1 23 VAL MG2 . . 2.800 2.190 1.862 2.485 . 0 0 "[ . 1]" 1
154 1 20 ALA H 1 20 ALA MB . . 2.790 2.114 2.028 2.233 . 0 0 "[ . 1]" 1
155 1 20 ALA HA 1 20 ALA MB . . 2.580 2.098 2.082 2.127 . 0 0 "[ . 1]" 1
156 1 20 ALA HA 1 21 GLY H . . 3.610 2.469 2.151 3.562 . 0 0 "[ . 1]" 1
157 1 20 ALA HA 1 64 ASN HD22 . . 4.490 3.820 2.941 4.542 0.052 9 0 "[ . 1]" 1
158 1 20 ALA MB 1 21 GLY H . . 3.860 2.867 2.022 3.170 . 0 0 "[ . 1]" 1
159 1 21 GLY H 1 64 ASN HD22 . . 4.000 3.791 3.165 4.023 0.023 9 0 "[ . 1]" 1
160 1 21 GLY HA2 1 22 SER H . . 3.580 2.875 2.296 3.569 . 0 0 "[ . 1]" 1
161 1 21 GLY HA3 1 22 SER H . . 3.990 2.463 2.232 2.874 . 0 0 "[ . 1]" 1
162 1 22 SER H 1 22 SER QB . . 3.700 2.474 2.212 2.788 . 0 0 "[ . 1]" 1
163 1 22 SER H 1 23 VAL MG2 . . 4.610 4.398 3.623 4.620 0.010 7 0 "[ . 1]" 1
164 1 22 SER HA 1 23 VAL H . . 3.370 2.156 2.139 2.204 . 0 0 "[ . 1]" 1
165 1 22 SER HA 1 23 VAL MG2 . . 4.000 3.572 3.365 3.858 . 0 0 "[ . 1]" 1
166 1 23 VAL H 1 23 VAL MG2 . . 2.820 2.457 2.356 2.637 . 0 0 "[ . 1]" 1
167 1 23 VAL HA 1 23 VAL MG1 . . 3.180 2.156 1.984 2.350 . 0 0 "[ . 1]" 1
168 1 23 VAL HA 1 23 VAL MG2 . . 3.430 3.176 3.135 3.197 . 0 0 "[ . 1]" 1
169 1 23 VAL HA 1 24 PRO HD3 . . 2.900 2.294 2.263 2.350 . 0 0 "[ . 1]" 1
170 1 23 VAL HB 1 24 PRO HD2 . . 2.660 2.104 1.967 2.285 . 0 0 "[ . 1]" 1
171 1 24 PRO HA 1 25 VAL H . . 2.990 2.216 2.152 2.285 . 0 0 "[ . 1]" 1
172 1 24 PRO HB2 1 25 VAL H . . 4.130 3.204 2.933 3.580 . 0 0 "[ . 1]" 1
173 1 24 PRO HB3 1 25 VAL H . . 4.180 3.792 3.626 4.033 . 0 0 "[ . 1]" 1
174 1 25 VAL H 1 25 VAL HB . . 3.630 2.276 2.259 2.292 . 0 0 "[ . 1]" 1
175 1 25 VAL H 1 25 VAL MG1 . . 3.630 3.671 3.659 3.684 0.054 10 0 "[ . 1]" 1
176 1 25 VAL H 1 25 VAL MG2 . . 3.350 2.587 2.539 2.661 . 0 0 "[ . 1]" 1
177 1 25 VAL H 1 74 LYS QE . . 4.500 4.526 4.511 4.544 0.044 9 0 "[ . 1]" 1
178 1 25 VAL HA 1 25 VAL MG1 . . 3.430 2.626 2.608 2.638 . 0 0 "[ . 1]" 1
179 1 25 VAL HA 1 25 VAL MG2 . . 3.370 2.197 2.055 2.227 . 0 0 "[ . 1]" 1
180 1 25 VAL HA 1 26 PRO HD2 . . 3.400 2.120 2.001 2.159 . 0 0 "[ . 1]" 1
181 1 25 VAL HA 1 26 PRO HD3 . . 3.100 2.260 2.252 2.303 . 0 0 "[ . 1]" 1
182 1 25 VAL MG1 1 26 PRO HD2 . . 3.290 2.053 1.942 2.461 . 0 0 "[ . 1]" 1
183 1 25 VAL MG1 1 29 CYS HB3 . . 4.000 4.141 4.074 4.207 0.207 10 0 "[ . 1]" 1
184 1 25 VAL MG1 1 30 CYS H . . 3.970 3.979 3.956 3.999 0.029 7 0 "[ . 1]" 1
185 1 25 VAL MG1 1 71 LEU QD . . 2.960 2.656 2.513 2.733 . 0 0 "[ . 1]" 1
186 1 25 VAL MG2 1 26 PRO HD2 . . 3.510 2.709 2.652 2.912 . 0 0 "[ . 1]" 1
187 1 25 VAL MG2 1 26 PRO HD3 . . 3.660 3.712 3.673 3.841 0.181 8 0 "[ . 1]" 1
188 1 25 VAL MG2 1 71 LEU HA . . 3.760 2.031 1.929 2.186 . 0 0 "[ . 1]" 1
189 1 25 VAL MG2 1 71 LEU QD . . 2.990 3.004 2.958 3.042 0.052 3 0 "[ . 1]" 1
190 1 25 VAL MG2 1 74 LYS HB2 . . 3.630 2.871 2.677 2.961 . 0 0 "[ . 1]" 1
191 1 25 VAL MG2 1 74 LYS HB3 . . 3.550 3.610 3.565 3.649 0.099 6 0 "[ . 1]" 1
192 1 25 VAL MG2 1 74 LYS QD . . 3.370 3.399 3.379 3.437 0.067 6 0 "[ . 1]" 1
193 1 26 PRO HA 1 27 LEU H . . 3.000 2.155 2.153 2.159 . 0 0 "[ . 1]" 1
194 1 26 PRO HA 1 28 THR H . . 5.370 4.331 4.101 4.390 . 0 0 "[ . 1]" 1
195 1 26 PRO HB2 1 29 CYS H . . 3.520 2.475 2.445 2.506 . 0 0 "[ . 1]" 1
196 1 26 PRO HB3 1 27 LEU H . . 4.450 4.114 3.968 4.138 . 0 0 "[ . 1]" 1
197 1 26 PRO HB3 1 29 CYS H . . 4.560 4.166 4.128 4.266 . 0 0 "[ . 1]" 1
198 1 26 PRO QG 1 29 CYS H . . 4.520 3.704 3.251 3.799 . 0 0 "[ . 1]" 1
199 1 27 LEU H 1 27 LEU HB2 . . 3.290 2.392 2.193 2.768 . 0 0 "[ . 1]" 1
200 1 27 LEU H 1 27 LEU MD2 . . 4.770 3.460 1.877 4.260 . 0 0 "[ . 1]" 1
201 1 27 LEU H 1 28 THR H . . 3.860 2.860 2.677 2.918 . 0 0 "[ . 1]" 1
202 1 27 LEU HA 1 27 LEU HB3 . . 3.140 2.800 2.555 3.015 . 0 0 "[ . 1]" 1
203 1 27 LEU HA 1 27 LEU MD1 . . 3.050 2.288 1.988 2.535 . 0 0 "[ . 1]" 1
204 1 27 LEU HA 1 30 CYS H . . 3.970 3.397 3.322 3.586 . 0 0 "[ . 1]" 1
205 1 27 LEU HA 1 30 CYS HB2 . . 3.680 2.858 2.555 3.046 . 0 0 "[ . 1]" 1
206 1 27 LEU HB2 1 28 THR H . . 4.060 2.984 2.292 3.753 . 0 0 "[ . 1]" 1
207 1 28 THR H 1 28 THR HB . . 4.190 3.611 3.571 3.626 . 0 0 "[ . 1]" 1
208 1 28 THR H 1 28 THR MG . . 3.560 2.326 1.928 2.450 . 0 0 "[ . 1]" 1
209 1 28 THR H 1 29 CYS H . . 3.440 2.904 2.858 2.997 . 0 0 "[ . 1]" 1
210 1 28 THR HA 1 28 THR HB . . 2.690 2.532 2.341 2.603 . 0 0 "[ . 1]" 1
211 1 28 THR HA 1 28 THR MG . . 2.740 2.256 2.184 2.478 . 0 0 "[ . 1]" 1
212 1 28 THR HA 1 29 CYS H . . 4.060 3.534 3.503 3.566 . 0 0 "[ . 1]" 1
213 1 28 THR HA 1 31 ASN H . . 3.650 3.651 3.650 3.653 0.003 9 0 "[ . 1]" 1
214 1 28 THR HA 1 31 ASN HB2 . . 2.980 3.044 3.018 3.071 0.091 5 0 "[ . 1]" 1
215 1 28 THR HB 1 29 CYS H . . 4.260 3.542 3.248 4.030 . 0 0 "[ . 1]" 1
216 1 29 CYS H 1 29 CYS HB2 . . 3.790 2.728 2.512 2.856 . 0 0 "[ . 1]" 1
217 1 29 CYS H 1 29 CYS HB3 . . 3.260 2.360 2.271 2.543 . 0 0 "[ . 1]" 1
218 1 29 CYS H 1 30 CYS H . . 3.300 2.670 2.592 2.843 . 0 0 "[ . 1]" 1
219 1 29 CYS HA 1 30 CYS H . . 4.090 3.546 3.536 3.550 . 0 0 "[ . 1]" 1
220 1 29 CYS HB2 1 30 CYS H . . 5.250 3.948 3.879 4.007 . 0 0 "[ . 1]" 1
221 1 29 CYS HB3 1 30 CYS H . . 3.480 2.605 2.561 2.674 . 0 0 "[ . 1]" 1
222 1 30 CYS H 1 30 CYS HB2 . . 3.440 2.547 2.484 2.649 . 0 0 "[ . 1]" 1
223 1 30 CYS H 1 30 CYS HB3 . . 3.790 3.589 3.584 3.590 . 0 0 "[ . 1]" 1
224 1 30 CYS H 1 31 ASN H . . 3.260 2.757 2.705 2.897 . 0 0 "[ . 1]" 1
225 1 30 CYS HA 1 33 VAL H . . 4.780 3.454 3.050 3.690 . 0 0 "[ . 1]" 1
226 1 30 CYS HA 1 33 VAL MG2 . . 3.750 3.119 2.351 3.643 . 0 0 "[ . 1]" 1
227 1 31 ASN H 1 31 ASN HA . . 3.110 2.754 2.674 2.781 . 0 0 "[ . 1]" 1
228 1 31 ASN H 1 31 ASN HB2 . . 2.840 2.232 2.204 2.323 . 0 0 "[ . 1]" 1
229 1 31 ASN H 1 32 GLY H . . 3.260 2.847 2.772 3.038 . 0 0 "[ . 1]" 1
230 1 31 ASN HA 1 31 ASN HB2 . . 2.920 2.974 2.973 2.976 0.056 10 0 "[ . 1]" 1
231 1 31 ASN HA 1 32 GLY H . . 3.940 3.546 3.531 3.560 . 0 0 "[ . 1]" 1
232 1 31 ASN HA 1 34 ARG H . . 4.570 4.153 4.008 4.233 . 0 0 "[ . 1]" 1
233 1 31 ASN HA 1 34 ARG QB . . 3.040 3.066 3.050 3.087 0.047 6 0 "[ . 1]" 1
234 1 31 ASN HB2 1 32 GLY H . . 3.820 2.787 2.693 2.873 . 0 0 "[ . 1]" 1
235 1 32 GLY H 1 33 VAL H . . 3.360 2.645 2.555 2.721 . 0 0 "[ . 1]" 1
236 1 32 GLY HA2 1 33 VAL H . . 4.010 3.563 3.529 3.570 . 0 0 "[ . 1]" 1
237 1 32 GLY HA2 1 36 LEU H . . 4.370 4.392 4.377 4.409 0.039 9 0 "[ . 1]" 1
238 1 32 GLY HA3 1 33 VAL H . . 4.420 2.672 2.595 2.856 . 0 0 "[ . 1]" 1
239 1 33 VAL H 1 33 VAL HB . . 3.600 2.613 2.414 2.889 . 0 0 "[ . 1]" 1
240 1 33 VAL H 1 33 VAL MG2 . . 3.120 2.014 1.847 2.267 . 0 0 "[ . 1]" 1
241 1 33 VAL H 1 34 ARG H . . 3.460 2.811 2.716 2.898 . 0 0 "[ . 1]" 1
242 1 33 VAL HA 1 33 VAL MG1 . . 3.280 2.345 2.227 2.482 . 0 0 "[ . 1]" 1
243 1 33 VAL HA 1 33 VAL MG2 . . 3.120 2.407 2.302 2.514 . 0 0 "[ . 1]" 1
244 1 33 VAL HA 1 36 LEU H . . 4.200 3.509 3.323 3.593 . 0 0 "[ . 1]" 1
245 1 33 VAL HA 1 36 LEU HB2 . . 3.860 2.484 2.388 2.512 . 0 0 "[ . 1]" 1
246 1 33 VAL HA 1 36 LEU HB3 . . 3.960 3.957 3.906 3.980 0.020 2 0 "[ . 1]" 1
247 1 33 VAL HB 1 34 ARG H . . 3.570 2.513 2.347 2.646 . 0 0 "[ . 1]" 1
248 1 33 VAL HB 1 77 VAL MG2 . . 4.820 3.940 3.607 4.335 . 0 0 "[ . 1]" 1
249 1 33 VAL MG1 1 72 PRO HA . . 3.160 2.113 1.898 2.384 . 0 0 "[ . 1]" 1
250 1 33 VAL MG1 1 75 CYS HB3 . . 3.780 3.280 2.935 3.546 . 0 0 "[ . 1]" 1
251 1 33 VAL MG2 1 71 LEU HG . . 3.190 3.095 2.788 3.209 0.019 5 0 "[ . 1]" 1
252 1 34 ARG H 1 34 ARG QB . . 3.140 2.200 2.164 2.247 . 0 0 "[ . 1]" 1
253 1 34 ARG H 1 35 GLY H . . 3.510 2.846 2.825 2.868 . 0 0 "[ . 1]" 1
254 1 34 ARG HA 1 37 ASN H . . 4.490 3.783 3.627 4.011 . 0 0 "[ . 1]" 1
255 1 34 ARG HA 1 37 ASN HB3 . . 3.800 3.361 3.205 3.513 . 0 0 "[ . 1]" 1
256 1 34 ARG HA 1 77 VAL MG2 . . 4.180 3.731 3.454 3.879 . 0 0 "[ . 1]" 1
257 1 34 ARG QB 1 35 GLY H . . 3.240 2.442 2.321 2.647 . 0 0 "[ . 1]" 1
258 1 34 ARG QB 1 77 VAL MG2 . . 4.930 4.927 4.770 4.997 0.067 6 0 "[ . 1]" 1
259 1 35 GLY H 1 35 GLY HA3 . . 3.010 2.296 2.293 2.301 . 0 0 "[ . 1]" 1
260 1 35 GLY HA2 1 36 LEU H . . 4.220 3.450 3.435 3.469 . 0 0 "[ . 1]" 1
261 1 35 GLY HA2 1 38 ASN H . . 4.450 3.575 3.488 3.699 . 0 0 "[ . 1]" 1
262 1 35 GLY HA2 1 38 ASN QB . . 3.360 2.736 2.587 2.861 . 0 0 "[ . 1]" 1
263 1 36 LEU H 1 36 LEU HB2 . . 3.550 2.212 2.169 2.289 . 0 0 "[ . 1]" 1
264 1 36 LEU H 1 36 LEU HB3 . . 3.510 3.511 3.483 3.548 0.038 2 0 "[ . 1]" 1
265 1 36 LEU H 1 36 LEU MD1 . . 4.160 3.645 3.320 3.920 . 0 0 "[ . 1]" 1
266 1 36 LEU H 1 37 ASN H . . 3.410 2.694 2.630 2.814 . 0 0 "[ . 1]" 1
267 1 36 LEU HA 1 36 LEU MD2 . . 3.080 2.160 2.025 2.354 . 0 0 "[ . 1]" 1
268 1 36 LEU HA 1 37 ASN H . . 4.410 3.565 3.556 3.571 . 0 0 "[ . 1]" 1
269 1 36 LEU HA 1 39 ALA H . . 4.410 3.252 3.123 3.481 . 0 0 "[ . 1]" 1
270 1 36 LEU HA 1 39 ALA MB . . 3.230 2.269 1.987 2.481 . 0 0 "[ . 1]" 1
271 1 36 LEU HB2 1 37 ASN H . . 3.590 2.488 2.289 2.638 . 0 0 "[ . 1]" 1
272 1 36 LEU MD2 1 39 ALA MB . . 3.320 3.217 3.027 3.299 . 0 0 "[ . 1]" 1
273 1 37 ASN H 1 37 ASN HB2 . . 3.120 2.928 2.887 2.962 . 0 0 "[ . 1]" 1
274 1 37 ASN H 1 37 ASN HB3 . . 3.130 2.200 2.179 2.242 . 0 0 "[ . 1]" 1
275 1 37 ASN HA 1 38 ASN H . . 4.540 3.485 3.454 3.523 . 0 0 "[ . 1]" 1
276 1 37 ASN HA 1 40 ALA MB . . 3.720 3.401 3.065 3.726 0.006 2 0 "[ . 1]" 1
277 1 37 ASN HB2 1 38 ASN H . . 4.300 4.234 4.134 4.303 0.003 7 0 "[ . 1]" 1
278 1 37 ASN HB2 1 77 VAL MG1 . . 4.420 3.101 2.217 3.610 . 0 0 "[ . 1]" 1
279 1 37 ASN HB2 1 77 VAL MG2 . . 4.700 2.485 2.246 2.990 . 0 0 "[ . 1]" 1
280 1 37 ASN HB2 1 79 ILE MD . . 3.730 3.792 3.765 3.829 0.099 2 0 "[ . 1]" 1
281 1 37 ASN HB3 1 38 ASN H . . 3.730 3.062 2.898 3.179 . 0 0 "[ . 1]" 1
282 1 37 ASN HB3 1 77 VAL MG1 . . 4.780 4.201 3.447 4.551 . 0 0 "[ . 1]" 1
283 1 37 ASN HB3 1 77 VAL MG2 . . 4.680 3.035 2.586 3.431 . 0 0 "[ . 1]" 1
284 1 38 ASN H 1 38 ASN QB . . 3.050 2.284 2.210 2.335 . 0 0 "[ . 1]" 1
285 1 38 ASN H 1 39 ALA H . . 3.500 2.290 2.242 2.467 . 0 0 "[ . 1]" 1
286 1 38 ASN HA 1 39 ALA H . . 4.330 3.479 3.277 3.535 . 0 0 "[ . 1]" 1
287 1 38 ASN QB 1 39 ALA H . . 3.830 2.820 2.557 3.432 . 0 0 "[ . 1]" 1
288 1 39 ALA H 1 39 ALA MB . . 3.100 2.207 2.167 2.271 . 0 0 "[ . 1]" 1
289 1 39 ALA H 1 40 ALA H . . 3.010 2.576 2.406 2.691 . 0 0 "[ . 1]" 1
290 1 39 ALA MB 1 40 ALA H . . 3.620 2.803 2.564 3.434 . 0 0 "[ . 1]" 1
291 1 40 ALA H 1 40 ALA MB . . 3.350 2.293 2.142 2.500 . 0 0 "[ . 1]" 1
292 1 40 ALA HA 1 45 ASP HB3 . . 3.790 3.040 2.050 3.795 0.005 8 0 "[ . 1]" 1
293 1 40 ALA MB 1 45 ASP HB2 . . 3.750 3.052 2.201 3.644 . 0 0 "[ . 1]" 1
294 1 40 ALA MB 1 45 ASP HB3 . . 3.910 2.814 1.944 3.438 . 0 0 "[ . 1]" 1
295 1 40 ALA MB 1 46 ARG HA . . 3.730 2.684 2.265 3.342 . 0 0 "[ . 1]" 1
296 1 41 ARG H 1 42 THR H . . 3.570 2.393 1.937 2.981 . 0 0 "[ . 1]" 1
297 1 41 ARG HA 1 42 THR H . . 3.600 3.397 3.018 3.509 . 0 0 "[ . 1]" 1
298 1 42 THR H 1 42 THR MG . . 3.040 2.139 1.874 2.475 . 0 0 "[ . 1]" 1
299 1 42 THR H 1 45 ASP HB2 . . 3.230 2.979 2.434 3.266 0.036 8 0 "[ . 1]" 1
300 1 42 THR HA 1 42 THR MG . . 2.920 2.600 2.553 2.646 . 0 0 "[ . 1]" 1
301 1 42 THR HA 1 43 THR H . . 3.550 2.208 2.199 2.241 . 0 0 "[ . 1]" 1
302 1 42 THR HB 1 43 THR H . . 3.740 3.072 2.967 3.116 . 0 0 "[ . 1]" 1
303 1 42 THR HB 1 44 ILE H . . 4.440 3.341 3.207 3.476 . 0 0 "[ . 1]" 1
304 1 43 THR H 1 43 THR HB . . 3.230 2.584 2.431 2.689 . 0 0 "[ . 1]" 1
305 1 43 THR H 1 43 THR MG . . 3.830 3.762 3.748 3.770 . 0 0 "[ . 1]" 1
306 1 43 THR H 1 44 ILE H . . 3.850 2.784 2.658 2.878 . 0 0 "[ . 1]" 1
307 1 43 THR HA 1 43 THR MG . . 2.990 2.412 2.332 2.530 . 0 0 "[ . 1]" 1
308 1 43 THR HA 1 44 ILE H . . 4.410 3.537 3.514 3.553 . 0 0 "[ . 1]" 1
309 1 43 THR HA 1 46 ARG HB2 . . 3.530 2.726 2.304 3.775 0.245 8 0 "[ . 1]" 1
310 1 43 THR HB 1 44 ILE H . . 3.440 2.622 2.478 2.789 . 0 0 "[ . 1]" 1
311 1 43 THR MG 1 44 ILE H . . 3.590 3.461 3.270 3.600 0.010 2 0 "[ . 1]" 1
312 1 43 THR MG 1 47 ARG HD2 . . 3.760 3.077 1.934 3.681 . 0 0 "[ . 1]" 1
313 1 43 THR MG 1 47 ARG HD3 . . 3.620 3.483 2.935 3.644 0.024 8 0 "[ . 1]" 1
314 1 43 THR MG 1 47 ARG QG . . 3.170 3.050 2.629 3.179 0.009 6 0 "[ . 1]" 1
315 1 43 THR MG 1 93 VAL HA . . 2.910 2.913 2.880 2.986 0.076 8 0 "[ . 1]" 1
316 1 44 ILE H 1 44 ILE HB . . 3.130 2.352 2.227 2.558 . 0 0 "[ . 1]" 1
317 1 44 ILE H 1 44 ILE HG12 . . 3.730 3.577 3.364 3.739 0.009 5 0 "[ . 1]" 1
318 1 44 ILE H 1 44 ILE MG . . 3.690 3.706 3.623 3.764 0.074 5 0 "[ . 1]" 1
319 1 44 ILE H 1 45 ASP H . . 3.580 2.840 2.722 2.905 . 0 0 "[ . 1]" 1
320 1 44 ILE HA 1 44 ILE HB . . 2.910 2.999 2.968 3.021 0.111 5 0 "[ . 1]" 1
321 1 44 ILE HA 1 44 ILE MD . . 3.280 2.505 2.015 3.388 0.108 8 0 "[ . 1]" 1
322 1 44 ILE HA 1 44 ILE HG12 . . 3.700 3.321 2.039 3.654 . 0 0 "[ . 1]" 1
323 1 44 ILE HA 1 44 ILE HG13 . . 3.050 2.701 2.362 3.191 0.141 8 0 "[ . 1]" 1
324 1 44 ILE HA 1 44 ILE MG . . 3.070 2.524 2.318 2.687 . 0 0 "[ . 1]" 1
325 1 44 ILE HA 1 45 ASP H . . 4.250 3.563 3.545 3.571 . 0 0 "[ . 1]" 1
326 1 44 ILE HA 1 47 ARG H . . 3.550 3.480 3.254 3.615 0.065 8 0 "[ . 1]" 1
327 1 44 ILE HA 1 48 THR H . . 4.000 4.002 3.932 4.097 0.097 8 0 "[ . 1]" 1
328 1 44 ILE HB 1 44 ILE MD . . 3.010 2.583 2.133 2.792 . 0 0 "[ . 1]" 1
329 1 44 ILE HB 1 45 ASP H . . 3.530 2.472 2.176 2.695 . 0 0 "[ . 1]" 1
330 1 44 ILE HG12 1 44 ILE MG . . 3.310 2.497 2.097 2.779 . 0 0 "[ . 1]" 1
331 1 44 ILE HG13 1 44 ILE MG . . 2.940 2.483 2.210 3.080 0.140 8 0 "[ . 1]" 1
332 1 44 ILE MG 1 45 ASP H . . 3.640 2.794 2.400 3.061 . 0 0 "[ . 1]" 1
333 1 44 ILE MG 1 47 ARG HD3 . . 3.880 3.677 3.407 3.892 0.012 8 0 "[ . 1]" 1
334 1 45 ASP H 1 45 ASP HB2 . . 3.350 2.361 2.257 2.510 . 0 0 "[ . 1]" 1
335 1 45 ASP H 1 45 ASP HB3 . . 3.960 3.569 3.540 3.599 . 0 0 "[ . 1]" 1
336 1 45 ASP H 1 46 ARG H . . 3.400 2.730 2.487 2.904 . 0 0 "[ . 1]" 1
337 1 45 ASP HA 1 46 ARG H . . 3.710 3.499 3.419 3.544 . 0 0 "[ . 1]" 1
338 1 45 ASP HA 1 48 THR H . . 3.490 3.500 3.489 3.510 0.020 8 0 "[ . 1]" 1
339 1 45 ASP HA 1 48 THR MG . . 3.860 3.791 3.658 3.863 0.003 5 0 "[ . 1]" 1
340 1 45 ASP HB2 1 46 ARG H . . 3.480 2.871 2.676 3.211 . 0 0 "[ . 1]" 1
341 1 46 ARG H 1 46 ARG HB2 . . 3.530 2.354 2.155 3.543 0.013 8 0 "[ . 1]" 1
342 1 46 ARG H 1 46 ARG HB3 . . 3.460 3.380 2.262 3.570 0.110 3 0 "[ . 1]" 1
343 1 46 ARG H 1 46 ARG HG2 . . 3.400 3.242 2.974 3.498 0.098 8 0 "[ . 1]" 1
344 1 46 ARG HA 1 49 ALA MB . . 3.470 3.433 3.082 3.481 0.011 9 0 "[ . 1]" 1
345 1 46 ARG HA 1 50 CYS H . . 3.910 3.866 3.640 3.918 0.008 3 0 "[ . 1]" 1
346 1 47 ARG H 1 47 ARG QB . . 2.880 2.616 2.459 2.791 . 0 0 "[ . 1]" 1
347 1 47 ARG H 1 48 THR H . . 3.510 2.529 2.391 2.599 . 0 0 "[ . 1]" 1
348 1 47 ARG HA 1 50 CYS HB2 . . 3.590 3.496 3.093 3.600 0.010 4 0 "[ . 1]" 1
349 1 47 ARG QB 1 48 THR H . . 3.430 3.148 2.537 3.449 0.019 6 0 "[ . 1]" 1
350 1 48 THR H 1 48 THR HB . . 2.990 2.445 2.360 2.593 . 0 0 "[ . 1]" 1
351 1 48 THR H 1 48 THR MG . . 3.890 3.745 3.725 3.767 . 0 0 "[ . 1]" 1
352 1 48 THR H 1 49 ALA H . . 3.190 2.864 2.690 2.957 . 0 0 "[ . 1]" 1
353 1 48 THR HA 1 48 THR MG . . 3.120 2.478 2.408 2.566 . 0 0 "[ . 1]" 1
354 1 48 THR HA 1 49 ALA H . . 4.710 3.564 3.521 3.573 . 0 0 "[ . 1]" 1
355 1 48 THR HA 1 51 ASN HB2 . . 3.840 3.305 2.718 3.716 . 0 0 "[ . 1]" 1
356 1 48 THR HB 1 49 ALA H . . 3.260 2.396 2.269 2.808 . 0 0 "[ . 1]" 1
357 1 48 THR MG 1 49 ALA H . . 3.930 2.990 2.620 3.331 . 0 0 "[ . 1]" 1
358 1 49 ALA H 1 49 ALA MB . . 3.040 2.190 2.123 2.239 . 0 0 "[ . 1]" 1
359 1 49 ALA H 1 50 CYS H . . 3.390 2.597 2.489 2.661 . 0 0 "[ . 1]" 1
360 1 49 ALA HA 1 50 CYS H . . 3.590 3.540 3.514 3.568 . 0 0 "[ . 1]" 1
361 1 49 ALA HA 1 52 CYS QB . . 3.490 2.813 2.500 3.286 . 0 0 "[ . 1]" 1
362 1 49 ALA MB 1 50 CYS H . . 3.110 2.562 2.333 2.692 . 0 0 "[ . 1]" 1
363 1 49 ALA MB 1 53 LEU MD1 . . 3.240 3.029 2.643 3.244 0.004 8 0 "[ . 1]" 1
364 1 50 CYS H 1 50 CYS HB2 . . 3.320 2.541 2.175 2.809 . 0 0 "[ . 1]" 1
365 1 50 CYS H 1 50 CYS HB3 . . 3.570 2.549 2.276 2.980 . 0 0 "[ . 1]" 1
366 1 50 CYS H 1 51 ASN H . . 3.380 2.844 2.581 3.050 . 0 0 "[ . 1]" 1
367 1 50 CYS HB2 1 51 ASN H . . 4.220 3.782 3.634 3.919 . 0 0 "[ . 1]" 1
368 1 51 ASN H 1 51 ASN HB2 . . 3.240 2.287 2.211 2.410 . 0 0 "[ . 1]" 1
369 1 51 ASN H 1 51 ASN HB3 . . 3.840 3.549 3.512 3.613 . 0 0 "[ . 1]" 1
370 1 51 ASN H 1 52 CYS H . . 3.380 2.789 2.549 3.002 . 0 0 "[ . 1]" 1
371 1 51 ASN HA 1 54 LYS QB . . 3.090 2.420 1.983 2.924 . 0 0 "[ . 1]" 1
372 1 51 ASN HB2 1 51 ASN HD21 . . 3.610 2.729 2.121 3.545 . 0 0 "[ . 1]" 1
373 1 51 ASN HB2 1 52 CYS H . . 3.500 2.568 2.185 3.048 . 0 0 "[ . 1]" 1
374 1 52 CYS H 1 52 CYS HB3 . . 2.980 2.926 2.795 3.128 0.148 6 0 "[ . 1]" 1
375 1 52 CYS H 1 53 LEU H . . 3.190 2.851 2.538 3.211 0.021 9 0 "[ . 1]" 1
376 1 52 CYS HA 1 53 LEU H . . 3.640 3.516 3.376 3.570 . 0 0 "[ . 1]" 1
377 1 52 CYS HA 1 55 GLN H . . 4.560 4.070 3.805 4.548 . 0 0 "[ . 1]" 1
378 1 52 CYS HA 1 55 GLN QB . . 3.380 3.373 3.269 3.399 0.019 2 0 "[ . 1]" 1
379 1 52 CYS HB3 1 53 LEU H . . 3.440 2.601 2.017 3.458 0.018 6 0 "[ . 1]" 1
380 1 53 LEU H 1 53 LEU HB2 . . 3.240 2.253 2.171 2.382 . 0 0 "[ . 1]" 1
381 1 53 LEU H 1 54 LYS H . . 3.390 2.542 2.135 2.810 . 0 0 "[ . 1]" 1
382 1 53 LEU HA 1 53 LEU MD2 . . 2.860 2.240 1.866 2.399 . 0 0 "[ . 1]" 1
383 1 53 LEU HA 1 56 THR HB . . 3.070 2.989 2.715 3.082 0.012 9 0 "[ . 1]" 1
384 1 54 LYS H 1 54 LYS QB . . 2.970 2.274 2.109 2.655 . 0 0 "[ . 1]" 1
385 1 54 LYS H 1 55 GLN H . . 3.330 2.818 2.655 3.017 . 0 0 "[ . 1]" 1
386 1 54 LYS HA 1 55 GLN H . . 4.780 3.526 3.460 3.566 . 0 0 "[ . 1]" 1
387 1 54 LYS HA 1 57 ALA MB . . 3.810 2.736 2.367 3.083 . 0 0 "[ . 1]" 1
388 1 54 LYS QB 1 55 GLN H . . 3.700 2.637 2.348 2.969 . 0 0 "[ . 1]" 1
389 1 55 GLN H 1 55 GLN QB . . 3.320 2.202 2.126 2.284 . 0 0 "[ . 1]" 1
390 1 55 GLN H 1 56 THR H . . 3.420 2.738 2.411 2.952 . 0 0 "[ . 1]" 1
391 1 55 GLN HA 1 58 ASN QB . . 3.330 3.148 2.914 3.331 0.001 8 0 "[ . 1]" 1
392 1 55 GLN HA 1 59 ALA H . . 4.920 4.521 4.277 4.705 . 0 0 "[ . 1]" 1
393 1 55 GLN QB 1 56 THR H . . 3.570 2.485 2.256 2.885 . 0 0 "[ . 1]" 1
394 1 56 THR H 1 56 THR HB . . 3.240 2.459 2.315 2.735 . 0 0 "[ . 1]" 1
395 1 56 THR H 1 57 ALA H . . 3.070 2.752 2.587 2.891 . 0 0 "[ . 1]" 1
396 1 56 THR HA 1 56 THR MG . . 3.330 2.425 2.207 2.534 . 0 0 "[ . 1]" 1
397 1 56 THR HA 1 59 ALA H . . 4.660 3.268 2.921 3.430 . 0 0 "[ . 1]" 1
398 1 56 THR HA 1 59 ALA MB . . 3.360 2.356 2.079 2.672 . 0 0 "[ . 1]" 1
399 1 56 THR HB 1 57 ALA H . . 3.490 2.373 2.095 2.840 . 0 0 "[ . 1]" 1
400 1 56 THR MG 1 60 ILE MD . . 3.590 2.269 1.794 2.799 . 0 0 "[ . 1]" 1
401 1 57 ALA H 1 57 ALA MB . . 2.980 2.143 2.032 2.240 . 0 0 "[ . 1]" 1
402 1 57 ALA HA 1 60 ILE HB . . 3.920 3.152 2.898 3.615 . 0 0 "[ . 1]" 1
403 1 57 ALA HA 1 60 ILE MD . . 3.410 2.704 1.842 3.415 0.005 10 0 "[ . 1]" 1
404 1 57 ALA HA 1 63 LEU MD2 . . 3.320 3.293 3.044 3.341 0.021 4 0 "[ . 1]" 1
405 1 57 ALA MB 1 63 LEU MD2 . . 3.470 2.414 1.996 3.106 . 0 0 "[ . 1]" 1
406 1 58 ASN H 1 58 ASN QB . . 2.810 2.246 2.093 2.392 . 0 0 "[ . 1]" 1
407 1 58 ASN H 1 59 ALA H . . 2.570 2.494 2.090 2.595 0.025 3 0 "[ . 1]" 1
408 1 58 ASN HA 1 59 ALA H . . 4.320 3.456 3.393 3.518 . 0 0 "[ . 1]" 1
409 1 58 ASN QB 1 59 ALA H . . 3.830 2.930 2.675 3.148 . 0 0 "[ . 1]" 1
410 1 58 ASN HD22 1 86 SER H . . 3.530 3.569 3.512 3.681 0.151 10 0 "[ . 1]" 1
411 1 59 ALA H 1 59 ALA MB . . 3.100 2.203 2.104 2.306 . 0 0 "[ . 1]" 1
412 1 59 ALA H 1 60 ILE H . . 3.050 2.409 2.222 2.579 . 0 0 "[ . 1]" 1
413 1 59 ALA HA 1 60 ILE H . . 4.660 3.462 3.193 3.518 . 0 0 "[ . 1]" 1
414 1 59 ALA MB 1 60 ILE H . . 3.650 2.855 2.655 3.393 . 0 0 "[ . 1]" 1
415 1 60 ILE H 1 60 ILE HB . . 3.020 2.512 2.381 2.725 . 0 0 "[ . 1]" 1
416 1 60 ILE H 1 60 ILE HG13 . . 3.990 2.452 2.141 3.524 . 0 0 "[ . 1]" 1
417 1 60 ILE HA 1 60 ILE MD . . 3.780 3.564 2.069 3.854 0.074 9 0 "[ . 1]" 1
418 1 60 ILE HA 1 60 ILE MG . . 3.120 2.405 2.287 2.496 . 0 0 "[ . 1]" 1
419 1 60 ILE HA 1 61 ALA H . . 3.110 2.168 2.139 2.197 . 0 0 "[ . 1]" 1
420 1 60 ILE HB 1 63 LEU MD1 . . 3.280 3.332 3.288 3.484 0.204 9 0 "[ . 1]" 1
421 1 60 ILE HB 1 63 LEU MD2 . . 3.620 3.535 2.954 3.867 0.247 9 0 "[ . 1]" 1
422 1 60 ILE MG 1 61 ALA H . . 3.710 3.088 2.807 3.293 . 0 0 "[ . 1]" 1
423 1 60 ILE MG 1 62 ASP H . . 3.590 1.853 1.700 2.120 . 0 0 "[ . 1]" 1
424 1 60 ILE MG 1 63 LEU H . . 3.510 2.154 1.963 2.405 . 0 0 "[ . 1]" 1
425 1 60 ILE MG 1 63 LEU HA . . 3.620 2.699 2.461 3.046 . 0 0 "[ . 1]" 1
426 1 61 ALA H 1 61 ALA MB . . 2.920 2.137 2.027 2.244 . 0 0 "[ . 1]" 1
427 1 61 ALA HA 1 62 ASP H . . 3.280 3.364 3.281 3.515 0.235 9 0 "[ . 1]" 1
428 1 61 ALA MB 1 62 ASP H . . 3.570 3.128 2.788 3.289 . 0 0 "[ . 1]" 1
429 1 62 ASP H 1 62 ASP HB2 . . 4.170 2.700 2.341 3.619 . 0 0 "[ . 1]" 1
430 1 62 ASP H 1 62 ASP HB3 . . 4.110 3.535 2.685 3.791 . 0 0 "[ . 1]" 1
431 1 62 ASP H 1 63 LEU H . . 3.420 2.502 2.144 2.711 . 0 0 "[ . 1]" 1
432 1 62 ASP HA 1 62 ASP HB2 . . 3.070 2.920 2.522 3.026 . 0 0 "[ . 1]" 1
433 1 62 ASP HA 1 62 ASP HB3 . . 3.060 2.534 2.390 3.018 . 0 0 "[ . 1]" 1
434 1 62 ASP HA 1 63 LEU H . . 3.670 3.009 2.920 3.141 . 0 0 "[ . 1]" 1
435 1 63 LEU H 1 63 LEU HB2 . . 2.910 2.899 2.698 2.995 0.085 9 0 "[ . 1]" 1
436 1 63 LEU H 1 63 LEU HB3 . . 3.260 2.267 2.200 2.397 . 0 0 "[ . 1]" 1
437 1 63 LEU HA 1 63 LEU MD1 . . 3.070 2.677 2.282 3.330 0.260 9 0 "[ . 1]" 1
438 1 63 LEU HA 1 64 ASN H . . 3.010 2.165 2.140 2.204 . 0 0 "[ . 1]" 1
439 1 63 LEU HB2 1 64 ASN H . . 4.930 4.252 3.987 4.369 . 0 0 "[ . 1]" 1
440 1 63 LEU MD1 1 64 ASN H . . 3.260 3.139 2.609 3.286 0.026 8 0 "[ . 1]" 1
441 1 63 LEU MD1 1 68 ALA MB . . 2.910 2.072 1.693 2.761 . 0 0 "[ . 1]" 1
442 1 63 LEU MD1 1 83 ILE HG12 . . 2.870 2.907 2.848 2.974 0.104 9 0 "[ . 1]" 1
443 1 63 LEU HG 1 64 ASN H . . 4.080 3.617 3.174 4.193 0.113 9 0 "[ . 1]" 1
444 1 64 ASN H 1 64 ASN HB2 . . 3.360 2.339 2.261 2.519 . 0 0 "[ . 1]" 1
445 1 64 ASN H 1 64 ASN HB3 . . 3.370 2.855 2.825 2.880 . 0 0 "[ . 1]" 1
446 1 64 ASN HA 1 65 LEU H . . 3.120 2.227 2.196 2.279 . 0 0 "[ . 1]" 1
447 1 64 ASN HA 1 65 LEU MD2 . . 3.830 3.785 3.444 3.852 0.022 3 0 "[ . 1]" 1
448 1 64 ASN HB2 1 67 ALA MB . . 3.190 3.207 3.043 3.285 0.095 3 0 "[ . 1]" 1
449 1 64 ASN HB3 1 67 ALA MB . . 3.560 1.956 1.767 2.113 . 0 0 "[ . 1]" 1
450 1 65 LEU H 1 65 LEU HB2 . . 2.890 2.765 2.652 2.916 0.026 9 0 "[ . 1]" 1
451 1 65 LEU H 1 65 LEU HB3 . . 3.580 3.571 3.521 3.592 0.012 4 0 "[ . 1]" 1
452 1 65 LEU H 1 65 LEU MD1 . . 3.780 3.744 3.565 3.827 0.047 3 0 "[ . 1]" 1
453 1 65 LEU H 1 65 LEU MD2 . . 4.030 2.201 1.894 2.438 . 0 0 "[ . 1]" 1
454 1 65 LEU H 1 66 ASN H . . 3.620 2.892 2.746 2.993 . 0 0 "[ . 1]" 1
455 1 65 LEU HA 1 65 LEU MD2 . . 3.010 1.984 1.939 2.065 . 0 0 "[ . 1]" 1
456 1 65 LEU HA 1 66 ASN H . . 4.420 3.507 3.389 3.561 . 0 0 "[ . 1]" 1
457 1 65 LEU HA 1 68 ALA MB . . 3.070 2.775 2.559 3.054 . 0 0 "[ . 1]" 1
458 1 65 LEU HB2 1 66 ASN H . . 3.880 2.691 2.355 3.204 . 0 0 "[ . 1]" 1
459 1 65 LEU HB3 1 66 ASN H . . 4.130 3.856 3.626 4.163 0.033 8 0 "[ . 1]" 1
460 1 65 LEU MD2 1 83 ILE HG12 . . 3.390 3.304 2.743 3.440 0.050 3 0 "[ . 1]" 1
461 1 66 ASN H 1 66 ASN HB2 . . 3.160 2.394 2.201 2.624 . 0 0 "[ . 1]" 1
462 1 66 ASN H 1 66 ASN HB3 . . 3.620 3.563 3.504 3.606 . 0 0 "[ . 1]" 1
463 1 66 ASN H 1 67 ALA H . . 3.230 2.703 2.471 2.899 . 0 0 "[ . 1]" 1
464 1 66 ASN HA 1 67 ALA H . . 4.690 3.546 3.500 3.568 . 0 0 "[ . 1]" 1
465 1 66 ASN HA 1 69 ALA H . . 3.820 3.769 3.649 3.867 0.047 2 0 "[ . 1]" 1
466 1 66 ASN HA 1 69 ALA MB . . 3.050 2.732 2.394 3.048 . 0 0 "[ . 1]" 1
467 1 66 ASN HB2 1 67 ALA H . . 3.830 2.578 2.239 2.983 . 0 0 "[ . 1]" 1
468 1 66 ASN HB3 1 67 ALA H . . 4.050 3.427 3.104 3.837 . 0 0 "[ . 1]" 1
469 1 67 ALA H 1 67 ALA MB . . 3.140 2.160 2.069 2.254 . 0 0 "[ . 1]" 1
470 1 67 ALA H 1 68 ALA H . . 3.430 2.580 2.330 2.849 . 0 0 "[ . 1]" 1
471 1 67 ALA HA 1 67 ALA MB . . 2.550 2.104 2.086 2.128 . 0 0 "[ . 1]" 1
472 1 67 ALA HA 1 68 ALA H . . 4.630 3.532 3.452 3.572 . 0 0 "[ . 1]" 1
473 1 67 ALA HA 1 70 GLY H . . 4.100 3.533 3.335 3.766 . 0 0 "[ . 1]" 1
474 1 67 ALA MB 1 68 ALA H . . 3.440 2.512 2.147 2.985 . 0 0 "[ . 1]" 1
475 1 68 ALA H 1 68 ALA MB . . 3.100 2.147 2.041 2.237 . 0 0 "[ . 1]" 1
476 1 68 ALA H 1 69 ALA H . . 3.430 2.537 2.300 2.713 . 0 0 "[ . 1]" 1
477 1 68 ALA H 1 71 LEU QD . . 4.050 4.719 4.524 4.999 0.949 8 8 "[ -* ***+**]" 1
478 1 68 ALA HA 1 69 ALA H . . 3.810 3.409 3.378 3.487 . 0 0 "[ . 1]" 1
479 1 68 ALA HA 1 71 LEU H . . 3.950 3.857 3.783 3.939 . 0 0 "[ . 1]" 1
480 1 68 ALA HA 1 71 LEU QB . . 3.650 2.621 2.474 2.856 . 0 0 "[ . 1]" 1
481 1 68 ALA MB 1 69 ALA H . . 3.340 3.052 2.871 3.143 . 0 0 "[ . 1]" 1
482 1 68 ALA MB 1 83 ILE HB . . 3.460 3.443 3.071 3.538 0.078 2 0 "[ . 1]" 1
483 1 69 ALA H 1 69 ALA MB . . 2.870 2.260 2.196 2.303 . 0 0 "[ . 1]" 1
484 1 69 ALA H 1 70 GLY H . . 3.470 2.392 2.278 2.478 . 0 0 "[ . 1]" 1
485 1 69 ALA HA 1 70 GLY H . . 3.540 3.550 3.514 3.564 0.024 7 0 "[ . 1]" 1
486 1 69 ALA MB 1 70 GLY H . . 3.160 2.500 2.373 2.684 . 0 0 "[ . 1]" 1
487 1 69 ALA MB 1 82 LYS QE . . 3.660 2.811 1.946 3.379 . 0 0 "[ . 1]" 1
488 1 70 GLY H 1 70 GLY HA3 . . 3.020 2.317 2.307 2.323 . 0 0 "[ . 1]" 1
489 1 70 GLY H 1 71 LEU H . . 3.480 2.477 2.447 2.540 . 0 0 "[ . 1]" 1
490 1 70 GLY HA2 1 71 LEU H . . 3.540 3.529 3.523 3.535 . 0 0 "[ . 1]" 1
491 1 70 GLY HA3 1 71 LEU H . . 3.520 2.854 2.835 2.875 . 0 0 "[ . 1]" 1
492 1 71 LEU H 1 71 LEU QB . . 2.750 2.148 2.130 2.163 . 0 0 "[ . 1]" 1
493 1 71 LEU H 1 72 PRO QD . . 3.080 2.301 2.236 2.351 . 0 0 "[ . 1]" 1
494 1 71 LEU HA 1 71 LEU QD . . 3.000 2.529 2.475 2.657 . 0 0 "[ . 1]" 1
495 1 71 LEU HA 1 74 LYS H . . 4.210 4.219 4.214 4.222 0.012 4 0 "[ . 1]" 1
496 1 71 LEU HA 1 74 LYS HB2 . . 3.930 3.934 3.852 4.016 0.086 7 0 "[ . 1]" 1
497 1 71 LEU QB 1 72 PRO QD . . 3.040 1.792 1.764 1.827 . 0 0 "[ . 1]" 1
498 1 72 PRO HA 1 73 ALA H . . 4.240 3.550 3.537 3.562 . 0 0 "[ . 1]" 1
499 1 72 PRO HA 1 75 CYS H . . 4.180 3.915 3.576 4.082 . 0 0 "[ . 1]" 1
500 1 72 PRO HA 1 75 CYS HB2 . . 3.900 2.389 2.123 2.539 . 0 0 "[ . 1]" 1
501 1 72 PRO HA 1 77 VAL H . . 3.860 3.369 3.233 3.429 . 0 0 "[ . 1]" 1
502 1 72 PRO HA 1 77 VAL HB . . 3.640 3.644 3.642 3.647 0.007 8 0 "[ . 1]" 1
503 1 72 PRO HB2 1 73 ALA H . . 3.450 3.155 3.043 3.256 . 0 0 "[ . 1]" 1
504 1 72 PRO QD 1 73 ALA H . . 3.770 2.621 2.605 2.646 . 0 0 "[ . 1]" 1
505 1 73 ALA H 1 73 ALA MB . . 2.900 2.217 2.129 2.232 . 0 0 "[ . 1]" 1
506 1 73 ALA H 1 74 LYS H . . 3.530 2.718 2.673 2.759 . 0 0 "[ . 1]" 1
507 1 73 ALA MB 1 74 LYS H . . 3.220 3.062 2.999 3.125 . 0 0 "[ . 1]" 1
508 1 74 LYS H 1 74 LYS HB2 . . 3.100 2.541 2.489 2.580 . 0 0 "[ . 1]" 1
509 1 74 LYS H 1 75 CYS H . . 3.380 2.360 2.176 2.481 . 0 0 "[ . 1]" 1
510 1 74 LYS HA 1 75 CYS H . . 3.780 3.569 3.567 3.572 . 0 0 "[ . 1]" 1
511 1 74 LYS HA 1 78 ASN H . . 3.750 3.759 3.757 3.760 0.010 6 0 "[ . 1]" 1
512 1 74 LYS HB2 1 75 CYS H . . 3.860 2.286 2.173 2.472 . 0 0 "[ . 1]" 1
513 1 74 LYS HB3 1 75 CYS H . . 3.890 2.946 2.807 3.229 . 0 0 "[ . 1]" 1
514 1 75 CYS H 1 75 CYS HB2 . . 3.280 2.463 2.372 2.506 . 0 0 "[ . 1]" 1
515 1 75 CYS H 1 75 CYS HB3 . . 4.150 3.650 3.601 3.671 . 0 0 "[ . 1]" 1
516 1 75 CYS H 1 76 GLY H . . 3.310 3.225 3.025 3.314 0.004 4 0 "[ . 1]" 1
517 1 75 CYS HB2 1 77 VAL MG2 . . 4.780 4.172 3.887 4.303 . 0 0 "[ . 1]" 1
518 1 75 CYS HB3 1 77 VAL MG2 . . 4.610 4.636 4.394 4.723 0.113 8 0 "[ . 1]" 1
519 1 76 GLY H 1 76 GLY HA3 . . 3.090 2.749 2.690 2.848 . 0 0 "[ . 1]" 1
520 1 76 GLY H 1 77 VAL H . . 3.280 1.764 1.687 2.040 . 0 0 "[ . 1]" 1
521 1 77 VAL H 1 77 VAL HB . . 3.340 2.660 2.560 2.729 . 0 0 "[ . 1]" 1
522 1 77 VAL H 1 77 VAL MG2 . . 3.390 2.015 1.875 2.138 . 0 0 "[ . 1]" 1
523 1 77 VAL HA 1 78 ASN H . . 3.230 3.035 2.955 3.253 0.023 7 0 "[ . 1]" 1
524 1 77 VAL HA 1 79 ILE H . . 3.650 3.687 3.476 4.110 0.460 5 0 "[ . 1]" 1
525 1 78 ASN H 1 78 ASN HB2 . . 3.740 3.306 2.404 3.743 0.003 5 0 "[ . 1]" 1
526 1 78 ASN H 1 78 ASN HB3 . . 3.600 2.818 2.457 3.654 0.054 2 0 "[ . 1]" 1
527 1 78 ASN HA 1 79 ILE H . . 3.570 3.422 2.864 3.565 . 0 0 "[ . 1]" 1
528 1 79 ILE HA 1 80 PRO HD2 . . 3.360 2.131 1.928 2.188 . 0 0 "[ . 1]" 1
529 1 79 ILE HA 1 80 PRO HD3 . . 3.570 2.274 2.252 2.399 . 0 0 "[ . 1]" 1
530 1 79 ILE MG 1 81 TYR H . . 3.750 3.700 2.931 3.865 0.115 6 0 "[ . 1]" 1
531 1 80 PRO HA 1 81 TYR H . . 4.130 2.376 2.326 2.478 . 0 0 "[ . 1]" 1
532 1 81 TYR HA 1 82 LYS H . . 3.490 2.266 2.138 2.433 . 0 0 "[ . 1]" 1
533 1 81 TYR HB2 1 92 VAL MG2 . . 3.660 3.657 3.606 3.670 0.010 9 0 "[ . 1]" 1
534 1 82 LYS H 1 82 LYS HB3 . . 3.150 2.827 2.371 3.260 0.110 10 0 "[ . 1]" 1
535 1 82 LYS HA 1 83 ILE H . . 2.680 2.529 2.355 2.747 0.067 10 0 "[ . 1]" 1
536 1 83 ILE MG 1 87 THR MG . . 3.670 3.692 3.621 3.812 0.142 8 0 "[ . 1]" 1
537 1 84 SER HA 1 85 PRO HD2 . . 3.270 2.588 2.228 3.779 0.509 10 1 "[ . +]" 1
538 1 84 SER HA 1 85 PRO HD3 . . 4.050 2.502 2.253 4.037 . 0 0 "[ . 1]" 1
539 1 85 PRO HA 1 86 SER H . . 4.430 3.252 2.975 3.465 . 0 0 "[ . 1]" 1
540 1 85 PRO HD2 1 86 SER H . . 3.780 3.231 2.749 3.756 . 0 0 "[ . 1]" 1
541 1 85 PRO HG2 1 86 SER H . . 4.040 3.314 1.824 4.139 0.099 6 0 "[ . 1]" 1
542 1 87 THR HA 1 88 ASP H . . 2.840 2.266 2.148 2.528 . 0 0 "[ . 1]" 1
543 1 87 THR HB 1 88 ASP H . . 4.270 3.713 2.770 4.295 0.025 6 0 "[ . 1]" 1
544 1 87 THR MG 1 88 ASP H . . 3.790 3.490 2.627 3.798 0.008 6 0 "[ . 1]" 1
545 1 88 ASP H 1 88 ASP HB2 . . 3.560 2.972 2.745 3.257 . 0 0 "[ . 1]" 1
546 1 88 ASP H 1 88 ASP HB3 . . 3.550 2.847 2.586 3.028 . 0 0 "[ . 1]" 1
547 1 88 ASP HA 1 89 CYS H . . 3.650 2.404 2.139 3.112 . 0 0 "[ . 1]" 1
548 1 89 CYS H 1 89 CYS HB2 . . 3.400 2.719 2.217 3.373 . 0 0 "[ . 1]" 1
549 1 89 CYS H 1 89 CYS HB3 . . 4.080 3.669 3.514 4.074 . 0 0 "[ . 1]" 1
550 1 89 CYS H 1 90 ASN H . . 3.410 2.617 2.135 2.908 . 0 0 "[ . 1]" 1
551 1 89 CYS HA 1 92 VAL H . . 4.060 3.189 2.561 4.016 . 0 0 "[ . 1]" 1
552 1 90 ASN H 1 90 ASN HB2 . . 3.320 2.280 2.179 2.436 . 0 0 "[ . 1]" 1
553 1 90 ASN H 1 90 ASN HB3 . . 3.630 2.882 2.703 3.005 . 0 0 "[ . 1]" 1
554 1 90 ASN H 1 91 ARG H . . 3.330 2.724 2.243 3.282 . 0 0 "[ . 1]" 1
555 1 90 ASN HA 1 91 ARG H . . 3.760 3.473 3.436 3.566 . 0 0 "[ . 1]" 1
556 1 90 ASN HB2 1 91 ARG H . . 3.940 3.800 3.546 3.905 . 0 0 "[ . 1]" 1
557 1 91 ARG H 1 91 ARG HB2 . . 3.890 2.322 2.209 2.863 . 0 0 "[ . 1]" 1
558 1 91 ARG H 1 91 ARG HB3 . . 3.530 3.534 3.503 3.578 0.048 2 0 "[ . 1]" 1
559 1 91 ARG H 1 91 ARG QG . . 3.560 2.963 1.913 3.553 . 0 0 "[ . 1]" 1
560 1 91 ARG H 1 92 VAL H . . 3.310 2.467 2.055 2.840 . 0 0 "[ . 1]" 1
561 1 91 ARG HA 1 92 VAL H . . 3.910 3.490 3.133 3.571 . 0 0 "[ . 1]" 1
562 1 92 VAL H 1 92 VAL HB . . 3.380 2.486 2.320 2.559 . 0 0 "[ . 1]" 1
563 1 92 VAL H 1 92 VAL MG2 . . 3.550 2.394 2.143 2.629 . 0 0 "[ . 1]" 1
564 1 92 VAL HA 1 93 VAL H . . 3.050 2.605 2.178 3.063 0.013 10 0 "[ . 1]" 1
565 1 93 VAL H 1 93 VAL MG1 . . 3.300 2.387 2.127 3.149 . 0 0 "[ . 1]" 1
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