NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
568934 |
2m01   |
18789 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m01
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 628
_Distance_constraint_stats_list.Viol_count 3383
_Distance_constraint_stats_list.Viol_total 7443.389
_Distance_constraint_stats_list.Viol_max 1.987
_Distance_constraint_stats_list.Viol_rms 0.0915
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0296
_Distance_constraint_stats_list.Viol_average_violations_only 0.1100
_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 LYS 3.884 0.501 7 1 "[ . + 1 . 2]"
1 2 LYS 10.484 0.503 9 1 "[ . +1 . 2]"
1 3 LYS 12.870 0.468 9 0 "[ . 1 . 2]"
1 4 CYS 4.889 0.342 13 0 "[ . 1 . 2]"
1 5 GLN 11.171 0.209 17 0 "[ . 1 . 2]"
1 6 LEU 16.394 0.445 18 0 "[ . 1 . 2]"
1 8 SER 7.852 0.274 17 0 "[ . 1 . 2]"
1 9 ASP 3.844 0.252 10 0 "[ . 1 . 2]"
1 10 VAL 8.569 0.252 10 0 "[ . 1 . 2]"
1 11 GLY 7.189 0.194 10 0 "[ . 1 . 2]"
1 12 LYS 6.853 0.570 15 1 "[ . 1 + 2]"
1 13 GLY 10.108 0.615 11 3 "[ . 1+ * -2]"
1 14 LYS 17.088 0.438 18 0 "[ . 1 . 2]"
1 15 ALA 14.352 0.615 11 2 "[ . 1+ . -2]"
1 16 SER 10.378 0.355 11 0 "[ . 1 . 2]"
1 17 PHE 8.210 0.526 16 2 "[ . 1 .+ -2]"
1 18 THR 11.957 0.523 19 1 "[ . 1 . +2]"
1 19 ARG 10.587 0.234 18 0 "[ . 1 . 2]"
1 20 TYR 10.652 0.407 5 0 "[ . 1 . 2]"
1 21 TYR 4.977 0.282 5 0 "[ . 1 . 2]"
1 22 TYR 7.754 0.397 7 0 "[ . 1 . 2]"
1 23 ASN 13.311 0.418 7 0 "[ . 1 . 2]"
1 24 GLU 14.359 0.546 12 1 "[ . 1 + . 2]"
1 25 GLU 1.491 0.185 16 0 "[ . 1 . 2]"
1 26 SER 7.793 0.185 16 0 "[ . 1 . 2]"
1 27 GLY 9.215 0.202 8 0 "[ . 1 . 2]"
1 28 LYS 14.527 0.177 5 0 "[ . 1 . 2]"
1 29 CYS 5.162 0.248 20 0 "[ . 1 . 2]"
1 30 GLU 8.628 0.248 20 0 "[ . 1 . 2]"
1 31 THR 5.613 0.200 8 0 "[ . 1 . 2]"
1 32 PHE 12.878 0.602 6 2 "[ .+ 1 . - 2]"
1 33 ILE 11.382 0.602 6 2 "[ .+ 1 . - 2]"
1 34 TYR 6.970 0.472 14 0 "[ . 1 . 2]"
1 35 GLY 5.044 0.462 11 0 "[ . 1 . 2]"
1 36 GLY 1.591 0.424 16 0 "[ . 1 . 2]"
1 37 VAL 2.448 0.188 16 0 "[ . 1 . 2]"
1 38 GLY 0.285 0.100 18 0 "[ . 1 . 2]"
1 39 GLY 0.804 0.308 20 0 "[ . 1 . 2]"
1 40 ASN 3.962 0.308 20 0 "[ . 1 . 2]"
1 41 SER 8.508 0.632 17 1 "[ . 1 . + 2]"
1 42 ASN 8.666 0.415 4 0 "[ . 1 . 2]"
1 43 ASN 7.551 0.312 4 0 "[ . 1 . 2]"
1 44 PHE 34.899 1.987 8 20 [*******+**********-*]
1 45 LEU 17.155 0.688 19 1 "[ . 1 . +2]"
1 46 THR 9.028 0.670 20 1 "[ . 1 . +]"
1 47 LYS 39.647 1.987 8 20 [*******+***********-]
1 48 GLU 7.157 0.355 20 0 "[ . 1 . 2]"
1 49 ASP 8.661 0.213 13 0 "[ . 1 . 2]"
1 50 CYS 6.048 0.271 20 0 "[ . 1 . 2]"
1 51 CYS 18.022 0.636 10 18 "[** ***-**+******** *]"
1 52 ARG 22.701 0.460 20 0 "[ . 1 . 2]"
1 53 GLU 27.699 0.460 20 0 "[ . 1 . 2]"
1 54 CYS 11.351 0.342 13 0 "[ . 1 . 2]"
1 55 ALA 12.312 0.636 10 18 "[** ***-**+******** *]"
1 56 GLN 10.360 0.412 9 0 "[ . 1 . 2]"
1 57 GLY 4.080 0.163 11 0 "[ . 1 . 2]"
1 58 SER 8.881 0.262 9 0 "[ . 1 . 2]"
1 59 CYS 3.748 0.106 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS H1 1 1 LYS HA . . 2.990 2.805 2.287 2.946 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS H1 1 1 LYS HB2 . . 3.080 2.668 2.339 3.064 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS H1 1 1 LYS HB3 . . 3.950 2.960 2.575 3.917 . 0 0 "[ . 1 . 2]" 1
4 1 1 LYS H1 1 1 LYS QD . . 5.170 4.068 2.223 4.800 . 0 0 "[ . 1 . 2]" 1
5 1 1 LYS H1 1 1 LYS QE . . 6.380 5.157 3.574 6.114 . 0 0 "[ . 1 . 2]" 1
6 1 1 LYS H1 1 1 LYS HG2 . . 5.500 4.613 4.149 5.183 . 0 0 "[ . 1 . 2]" 1
7 1 1 LYS H1 1 1 LYS HG3 . . 4.690 4.234 2.959 4.595 . 0 0 "[ . 1 . 2]" 1
8 1 1 LYS HA 1 1 LYS HB2 . . 2.490 2.598 2.501 2.991 0.501 7 1 "[ . + 1 . 2]" 1
9 1 1 LYS HA 1 1 LYS QD . . 3.870 3.427 1.957 3.907 0.037 17 0 "[ . 1 . 2]" 1
10 1 1 LYS HA 1 1 LYS HG2 . . 3.640 3.443 2.424 3.704 0.064 1 0 "[ . 1 . 2]" 1
11 1 1 LYS HA 1 1 LYS HG3 . . 3.080 2.548 2.274 3.123 0.043 17 0 "[ . 1 . 2]" 1
12 1 1 LYS HA 1 2 LYS H . . 2.770 2.544 2.401 2.798 0.028 19 0 "[ . 1 . 2]" 1
13 1 1 LYS HA 1 3 LYS H . . 2.930 2.996 2.944 3.081 0.151 4 0 "[ . 1 . 2]" 1
14 1 1 LYS HB2 1 1 LYS QD . . 3.310 2.268 2.027 3.226 . 0 0 "[ . 1 . 2]" 1
15 1 1 LYS HB3 1 1 LYS QD . . 3.590 2.935 2.088 3.425 . 0 0 "[ . 1 . 2]" 1
16 1 1 LYS HB3 1 1 LYS HG3 . . 3.110 2.812 2.425 2.998 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS H 1 2 LYS HB2 . . 2.960 2.697 2.450 3.113 0.153 10 0 "[ . 1 . 2]" 1
18 1 2 LYS H 1 2 LYS HB3 . . 3.730 3.023 2.608 3.783 0.053 12 0 "[ . 1 . 2]" 1
19 1 2 LYS H 1 2 LYS QD . . 5.270 4.332 2.064 5.274 0.004 4 0 "[ . 1 . 2]" 1
20 1 2 LYS H 1 2 LYS QE . . 6.380 4.894 3.308 6.170 . 0 0 "[ . 1 . 2]" 1
21 1 2 LYS H 1 2 LYS HG2 . . 5.500 4.666 3.715 5.274 . 0 0 "[ . 1 . 2]" 1
22 1 2 LYS H 1 2 LYS HG3 . . 4.500 4.396 2.494 4.576 0.076 12 0 "[ . 1 . 2]" 1
23 1 2 LYS HA 1 2 LYS HB2 . . 2.490 2.579 2.522 2.993 0.503 9 1 "[ . +1 . 2]" 1
24 1 2 LYS HA 1 2 LYS QD . . 4.210 3.334 2.675 3.954 . 0 0 "[ . 1 . 2]" 1
25 1 2 LYS HA 1 2 LYS HG2 . . 4.170 3.286 2.339 3.695 . 0 0 "[ . 1 . 2]" 1
26 1 2 LYS HA 1 2 LYS HG3 . . 3.330 2.679 2.428 3.191 . 0 0 "[ . 1 . 2]" 1
27 1 2 LYS HA 1 3 LYS H . . 3.300 3.203 3.048 3.341 0.041 7 0 "[ . 1 . 2]" 1
28 1 2 LYS HB3 1 2 LYS QD . . 3.280 2.880 1.993 3.303 0.023 6 0 "[ . 1 . 2]" 1
29 1 2 LYS HB3 1 2 LYS QE . . 3.840 3.391 2.438 3.813 . 0 0 "[ . 1 . 2]" 1
30 1 2 LYS HB3 1 2 LYS HG2 . . 2.590 2.404 2.217 2.829 0.239 8 0 "[ . 1 . 2]" 1
31 1 2 LYS HB3 1 2 LYS HG3 . . 2.460 2.759 2.683 2.916 0.456 12 0 "[ . 1 . 2]" 1
32 1 3 LYS H 1 3 LYS HA . . 3.020 2.854 2.771 2.927 . 0 0 "[ . 1 . 2]" 1
33 1 3 LYS H 1 3 LYS HB2 . . 2.740 2.367 2.218 2.648 . 0 0 "[ . 1 . 2]" 1
34 1 3 LYS H 1 3 LYS HB3 . . 3.580 3.582 3.515 3.646 0.066 18 0 "[ . 1 . 2]" 1
35 1 3 LYS H 1 3 LYS QD . . 4.310 3.097 1.895 4.421 0.111 7 0 "[ . 1 . 2]" 1
36 1 3 LYS H 1 3 LYS HE2 . . 5.500 4.551 2.882 5.503 0.003 5 0 "[ . 1 . 2]" 1
37 1 3 LYS H 1 3 LYS HE3 . . 5.500 4.416 2.754 5.554 0.054 15 0 "[ . 1 . 2]" 1
38 1 3 LYS H 1 3 LYS HG2 . . 5.500 3.727 2.585 4.320 . 0 0 "[ . 1 . 2]" 1
39 1 3 LYS H 1 3 LYS HG3 . . 3.050 3.068 2.494 3.228 0.178 12 0 "[ . 1 . 2]" 1
40 1 3 LYS H 1 4 CYS H . . 3.420 2.561 2.142 3.428 0.008 1 0 "[ . 1 . 2]" 1
41 1 3 LYS HA 1 3 LYS HB2 . . 3.000 3.012 2.987 3.025 0.025 18 0 "[ . 1 . 2]" 1
42 1 3 LYS HA 1 3 LYS HB3 . . 2.830 2.549 2.406 2.645 . 0 0 "[ . 1 . 2]" 1
43 1 3 LYS HA 1 3 LYS QD . . 3.780 3.544 2.769 3.836 0.056 10 0 "[ . 1 . 2]" 1
44 1 3 LYS HA 1 3 LYS HE2 . . 4.350 4.391 4.274 4.659 0.309 15 0 "[ . 1 . 2]" 1
45 1 3 LYS HA 1 3 LYS HE3 . . 5.500 5.060 4.239 5.233 . 0 0 "[ . 1 . 2]" 1
46 1 3 LYS HA 1 3 LYS HG3 . . 3.390 2.753 2.184 3.672 0.282 15 0 "[ . 1 . 2]" 1
47 1 3 LYS HA 1 4 CYS H . . 3.550 3.367 2.639 3.542 . 0 0 "[ . 1 . 2]" 1
48 1 3 LYS HA 1 5 GLN H . . 3.580 3.566 3.303 3.695 0.115 15 0 "[ . 1 . 2]" 1
49 1 3 LYS HA 1 6 LEU HG . . 3.460 3.461 2.301 3.650 0.190 17 0 "[ . 1 . 2]" 1
50 1 3 LYS HB2 1 3 LYS QD . . 3.280 2.439 2.063 3.449 0.169 15 0 "[ . 1 . 2]" 1
51 1 3 LYS HB2 1 3 LYS HE2 . . 5.500 4.254 1.991 4.849 . 0 0 "[ . 1 . 2]" 1
52 1 3 LYS HB2 1 3 LYS HE3 . . 4.540 4.224 2.655 4.558 0.018 5 0 "[ . 1 . 2]" 1
53 1 3 LYS HB2 1 3 LYS HG2 . . 2.800 2.801 2.648 2.898 0.098 5 0 "[ . 1 . 2]" 1
54 1 3 LYS HB2 1 3 LYS HG3 . . 2.800 2.646 2.209 2.964 0.164 9 0 "[ . 1 . 2]" 1
55 1 3 LYS HB3 1 3 LYS QD . . 3.310 2.783 2.129 3.501 0.191 9 0 "[ . 1 . 2]" 1
56 1 3 LYS HB3 1 3 LYS HE2 . . 5.500 4.349 2.607 4.577 . 0 0 "[ . 1 . 2]" 1
57 1 3 LYS HB3 1 3 LYS HE3 . . 5.500 4.724 2.277 5.217 . 0 0 "[ . 1 . 2]" 1
58 1 3 LYS HB3 1 3 LYS HG3 . . 2.710 2.805 2.659 2.892 0.182 5 0 "[ . 1 . 2]" 1
59 1 3 LYS HE2 1 3 LYS HG2 . . 3.330 2.768 2.437 3.538 0.208 15 0 "[ . 1 . 2]" 1
60 1 3 LYS HE3 1 3 LYS HG3 . . 3.140 2.998 2.523 3.608 0.468 9 0 "[ . 1 . 2]" 1
61 1 4 CYS H 1 4 CYS HA . . 3.050 2.872 2.777 2.947 . 0 0 "[ . 1 . 2]" 1
62 1 4 CYS H 1 4 CYS HB2 . . 3.480 2.939 2.392 3.707 0.227 17 0 "[ . 1 . 2]" 1
63 1 4 CYS H 1 4 CYS HB3 . . 3.110 2.554 2.375 2.793 . 0 0 "[ . 1 . 2]" 1
64 1 4 CYS H 1 5 GLN H . . 2.960 2.490 1.884 2.728 . 0 0 "[ . 1 . 2]" 1
65 1 4 CYS HA 1 4 CYS HB2 . . 3.080 2.450 2.332 2.568 . 0 0 "[ . 1 . 2]" 1
66 1 4 CYS HA 1 4 CYS HB3 . . 3.140 2.877 2.400 3.026 . 0 0 "[ . 1 . 2]" 1
67 1 4 CYS HB2 1 54 CYS HB2 . . 4.200 3.425 2.086 4.314 0.114 9 0 "[ . 1 . 2]" 1
68 1 4 CYS HB3 1 54 CYS HB2 . . 5.100 4.345 2.634 5.014 . 0 0 "[ . 1 . 2]" 1
69 1 4 CYS HB3 1 54 CYS HB3 . . 5.150 5.156 4.091 5.492 0.342 13 0 "[ . 1 . 2]" 1
70 1 5 GLN H 1 5 GLN HA . . 3.140 2.930 2.902 2.947 . 0 0 "[ . 1 . 2]" 1
71 1 5 GLN H 1 5 GLN HB2 . . 3.790 3.408 2.761 3.786 . 0 0 "[ . 1 . 2]" 1
72 1 5 GLN H 1 5 GLN HB3 . . 3.610 3.623 3.375 3.751 0.141 15 0 "[ . 1 . 2]" 1
73 1 5 GLN H 1 5 GLN HG2 . . 3.020 2.722 2.164 3.060 0.040 6 0 "[ . 1 . 2]" 1
74 1 5 GLN H 1 5 GLN HG3 . . 2.400 2.430 2.322 2.511 0.111 17 0 "[ . 1 . 2]" 1
75 1 5 GLN H 1 6 LEU H . . 3.960 3.459 2.947 3.978 0.018 20 0 "[ . 1 . 2]" 1
76 1 5 GLN HA 1 5 GLN HB3 . . 2.900 2.296 2.242 2.343 . 0 0 "[ . 1 . 2]" 1
77 1 5 GLN HA 1 5 GLN HG2 . . 3.460 3.309 2.671 3.669 0.209 17 0 "[ . 1 . 2]" 1
78 1 5 GLN HA 1 5 GLN HG3 . . 3.650 3.682 3.539 3.780 0.130 5 0 "[ . 1 . 2]" 1
79 1 5 GLN HB2 1 5 GLN HG2 . . 2.900 3.001 2.990 3.010 0.110 5 0 "[ . 1 . 2]" 1
80 1 5 GLN HB2 1 5 GLN HG3 . . 2.400 2.448 2.322 2.557 0.157 17 0 "[ . 1 . 2]" 1
81 1 5 GLN HB3 1 5 GLN HG2 . . 2.520 2.443 2.338 2.579 0.059 14 0 "[ . 1 . 2]" 1
82 1 5 GLN HB3 1 5 GLN HG3 . . 2.900 3.000 2.988 3.010 0.110 5 0 "[ . 1 . 2]" 1
83 1 6 LEU H 1 6 LEU HA . . 3.080 2.947 2.942 2.948 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU H 1 6 LEU HB2 . . 2.930 2.431 2.352 2.688 . 0 0 "[ . 1 . 2]" 1
85 1 6 LEU H 1 6 LEU HB3 . . 3.590 3.598 3.538 3.771 0.181 18 0 "[ . 1 . 2]" 1
86 1 6 LEU H 1 6 LEU HG . . 4.200 4.300 4.204 4.384 0.184 16 0 "[ . 1 . 2]" 1
87 1 6 LEU H 1 23 ASN QB . . 4.260 4.592 4.523 4.678 0.418 7 0 "[ . 1 . 2]" 1
88 1 6 LEU H 1 42 ASN HB2 . . 4.790 3.956 3.390 4.708 . 0 0 "[ . 1 . 2]" 1
89 1 6 LEU H 1 42 ASN HB3 . . 5.160 5.003 4.543 5.274 0.114 14 0 "[ . 1 . 2]" 1
90 1 6 LEU HA 1 6 LEU HB2 . . 2.900 2.977 2.954 3.014 0.114 17 0 "[ . 1 . 2]" 1
91 1 6 LEU HA 1 6 LEU HG . . 3.980 3.694 3.661 3.720 . 0 0 "[ . 1 . 2]" 1
92 1 6 LEU HB2 1 6 LEU HG . . 2.620 2.338 2.267 2.578 . 0 0 "[ . 1 . 2]" 1
93 1 6 LEU HB2 1 41 SER HB3 . . 4.200 4.282 4.166 4.645 0.445 18 0 "[ . 1 . 2]" 1
94 1 6 LEU HB2 1 42 ASN H . . 4.540 3.290 2.111 4.073 . 0 0 "[ . 1 . 2]" 1
95 1 6 LEU HB2 1 42 ASN HB2 . . 4.140 2.672 1.997 3.710 . 0 0 "[ . 1 . 2]" 1
96 1 6 LEU HB2 1 42 ASN HB3 . . 4.420 3.819 3.139 4.562 0.142 17 0 "[ . 1 . 2]" 1
97 1 6 LEU HB3 1 41 SER HB3 . . 5.100 4.953 4.104 5.173 0.073 14 0 "[ . 1 . 2]" 1
98 1 6 LEU HB3 1 42 ASN H . . 4.720 3.699 3.080 4.522 . 0 0 "[ . 1 . 2]" 1
99 1 6 LEU HB3 1 42 ASN HB2 . . 4.850 3.366 2.046 5.137 0.287 17 0 "[ . 1 . 2]" 1
100 1 6 LEU HG 1 40 ASN HB2 . . 3.600 3.586 2.942 3.763 0.163 17 0 "[ . 1 . 2]" 1
101 1 6 LEU HG 1 40 ASN HB3 . . 3.580 3.111 2.446 3.683 0.103 10 0 "[ . 1 . 2]" 1
102 1 6 LEU HG 1 41 SER H . . 3.480 2.591 1.882 3.493 0.013 8 0 "[ . 1 . 2]" 1
103 1 6 LEU HG 1 42 ASN H . . 3.790 3.508 2.848 3.853 0.063 7 0 "[ . 1 . 2]" 1
104 1 8 SER H 1 8 SER HA . . 3.140 2.836 2.275 2.944 . 0 0 "[ . 1 . 2]" 1
105 1 8 SER H 1 8 SER HB2 . . 3.110 3.154 2.192 3.384 0.274 17 0 "[ . 1 . 2]" 1
106 1 8 SER H 1 8 SER HB3 . . 3.240 3.115 2.093 3.425 0.185 15 0 "[ . 1 . 2]" 1
107 1 8 SER HA 1 8 SER HB2 . . 2.740 2.713 2.241 2.883 0.143 9 0 "[ . 1 . 2]" 1
108 1 8 SER HA 1 8 SER HB3 . . 2.770 2.484 2.238 3.004 0.234 7 0 "[ . 1 . 2]" 1
109 1 8 SER HA 1 9 ASP H . . 2.590 2.378 2.149 2.668 0.078 3 0 "[ . 1 . 2]" 1
110 1 8 SER HB2 1 9 ASP H . . 3.520 3.209 2.326 3.642 0.122 3 0 "[ . 1 . 2]" 1
111 1 8 SER HB3 1 9 ASP H . . 3.830 3.313 2.167 3.972 0.142 17 0 "[ . 1 . 2]" 1
112 1 9 ASP H 1 9 ASP HB2 . . 3.450 3.075 2.578 3.370 . 0 0 "[ . 1 . 2]" 1
113 1 9 ASP H 1 9 ASP HB3 . . 3.580 3.509 3.214 3.696 0.116 17 0 "[ . 1 . 2]" 1
114 1 9 ASP H 1 10 VAL H . . 3.920 3.500 1.884 3.975 0.055 15 0 "[ . 1 . 2]" 1
115 1 9 ASP HA 1 9 ASP HB2 . . 2.960 2.772 2.575 2.992 0.032 4 0 "[ . 1 . 2]" 1
116 1 9 ASP HA 1 10 VAL H . . 2.830 2.302 2.139 2.899 0.069 14 0 "[ . 1 . 2]" 1
117 1 9 ASP HA 1 11 GLY H . . 4.040 3.652 3.264 3.937 . 0 0 "[ . 1 . 2]" 1
118 1 9 ASP HB2 1 40 ASN H . . 4.600 4.271 3.396 4.796 0.196 17 0 "[ . 1 . 2]" 1
119 1 9 ASP HB3 1 10 VAL H . . 3.890 3.928 3.708 4.142 0.252 10 0 "[ . 1 . 2]" 1
120 1 9 ASP HB3 1 40 ASN H . . 5.470 4.406 2.992 5.472 0.002 13 0 "[ . 1 . 2]" 1
121 1 10 VAL H 1 10 VAL HA . . 3.140 2.869 2.732 2.950 . 0 0 "[ . 1 . 2]" 1
122 1 10 VAL H 1 10 VAL HB . . 3.050 2.680 2.356 2.975 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL H 1 10 VAL MG1 . . 3.790 2.097 1.906 2.444 . 0 0 "[ . 1 . 2]" 1
124 1 10 VAL H 1 10 VAL MG2 . . 3.910 3.812 3.717 3.910 0.000 8 0 "[ . 1 . 2]" 1
125 1 10 VAL H 1 11 GLY H . . 3.140 2.364 1.886 2.910 . 0 0 "[ . 1 . 2]" 1
126 1 10 VAL HA 1 10 VAL HB . . 2.710 2.494 2.399 2.539 . 0 0 "[ . 1 . 2]" 1
127 1 10 VAL HA 1 11 GLY H . . 3.360 3.514 3.491 3.554 0.194 10 0 "[ . 1 . 2]" 1
128 1 10 VAL HA 1 34 TYR HA . . 3.050 3.012 2.579 3.138 0.088 8 0 "[ . 1 . 2]" 1
129 1 10 VAL HB 1 11 GLY H . . 3.760 3.915 3.895 3.926 0.166 9 0 "[ . 1 . 2]" 1
130 1 10 VAL MG1 1 11 GLY H . . 4.810 2.043 1.937 2.115 . 0 0 "[ . 1 . 2]" 1
131 1 10 VAL MG1 1 35 GLY H . . 5.960 5.513 4.486 6.018 0.058 12 0 "[ . 1 . 2]" 1
132 1 10 VAL MG2 1 11 GLY H . . 4.970 3.775 3.296 3.957 . 0 0 "[ . 1 . 2]" 1
133 1 10 VAL MG2 1 34 TYR HA . . 4.570 3.150 1.990 4.483 . 0 0 "[ . 1 . 2]" 1
134 1 10 VAL MG2 1 35 GLY H . . 5.280 3.765 2.146 4.895 . 0 0 "[ . 1 . 2]" 1
135 1 11 GLY H 1 11 GLY HA2 . . 3.050 2.301 2.294 2.363 . 0 0 "[ . 1 . 2]" 1
136 1 11 GLY H 1 11 GLY HA3 . . 2.770 2.783 2.751 2.925 0.155 15 0 "[ . 1 . 2]" 1
137 1 11 GLY HA2 1 12 LYS H . . 2.770 2.739 2.239 2.901 0.131 14 0 "[ . 1 . 2]" 1
138 1 11 GLY HA3 1 12 LYS H . . 2.990 2.409 2.276 2.959 . 0 0 "[ . 1 . 2]" 1
139 1 12 LYS H 1 12 LYS HB2 . . 3.520 3.438 2.225 3.757 0.237 16 0 "[ . 1 . 2]" 1
140 1 12 LYS H 1 12 LYS HB3 . . 3.390 3.384 3.051 3.626 0.236 11 0 "[ . 1 . 2]" 1
141 1 12 LYS H 1 12 LYS HD2 . . 5.500 3.886 3.470 4.919 . 0 0 "[ . 1 . 2]" 1
142 1 12 LYS H 1 12 LYS HD3 . . 4.110 2.584 2.001 4.349 0.239 7 0 "[ . 1 . 2]" 1
143 1 12 LYS H 1 37 VAL H . . 3.700 3.744 3.558 3.828 0.128 16 0 "[ . 1 . 2]" 1
144 1 12 LYS H 1 37 VAL MG2 . . 6.050 2.931 1.834 4.889 . 0 0 "[ . 1 . 2]" 1
145 1 12 LYS HA 1 12 LYS HB2 . . 3.050 2.690 2.544 3.013 . 0 0 "[ . 1 . 2]" 1
146 1 12 LYS HA 1 12 LYS HD2 . . 4.630 4.075 2.571 4.519 . 0 0 "[ . 1 . 2]" 1
147 1 12 LYS HA 1 12 LYS HD3 . . 4.380 3.555 1.972 4.394 0.014 7 0 "[ . 1 . 2]" 1
148 1 12 LYS HA 1 13 GLY H . . 2.860 2.578 2.313 3.430 0.570 15 1 "[ . 1 + 2]" 1
149 1 12 LYS HB2 1 12 LYS HD3 . . 3.790 3.768 3.709 3.833 0.043 7 0 "[ . 1 . 2]" 1
150 1 12 LYS HB2 1 13 GLY H . . 3.140 2.387 1.923 3.237 0.097 15 0 "[ . 1 . 2]" 1
151 1 12 LYS HB3 1 12 LYS HD2 . . 2.400 2.336 2.129 2.442 0.042 15 0 "[ . 1 . 2]" 1
152 1 12 LYS HB3 1 12 LYS HD3 . . 3.360 2.782 2.556 3.351 . 0 0 "[ . 1 . 2]" 1
153 1 12 LYS HB3 1 13 GLY H . . 3.390 3.263 1.940 3.738 0.348 15 0 "[ . 1 . 2]" 1
154 1 13 GLY H 1 13 GLY HA2 . . 3.050 2.592 2.333 2.818 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLY H 1 13 GLY HA3 . . 2.990 2.885 2.295 2.956 . 0 0 "[ . 1 . 2]" 1
156 1 13 GLY H 1 37 VAL MG2 . . 5.900 4.789 1.966 5.902 0.002 17 0 "[ . 1 . 2]" 1
157 1 13 GLY HA2 1 14 LYS H . . 3.020 2.640 2.249 3.271 0.251 18 0 "[ . 1 . 2]" 1
158 1 13 GLY HA2 1 15 ALA H . . 3.890 4.211 3.994 4.505 0.615 11 2 "[ . 1+ . -2]" 1
159 1 13 GLY HA2 1 37 VAL MG2 . . 4.500 4.451 3.775 4.688 0.188 16 0 "[ . 1 . 2]" 1
160 1 13 GLY HA3 1 14 LYS H . . 2.930 2.576 2.190 3.280 0.350 18 0 "[ . 1 . 2]" 1
161 1 13 GLY HA3 1 15 ALA H . . 3.890 3.230 3.051 3.545 . 0 0 "[ . 1 . 2]" 1
162 1 13 GLY HA3 1 37 VAL MG2 . . 5.030 4.188 3.356 4.805 . 0 0 "[ . 1 . 2]" 1
163 1 14 LYS H 1 14 LYS HB2 . . 3.520 2.465 2.217 3.265 . 0 0 "[ . 1 . 2]" 1
164 1 14 LYS H 1 14 LYS HB3 . . 3.610 3.652 3.514 4.048 0.438 18 0 "[ . 1 . 2]" 1
165 1 14 LYS H 1 14 LYS HD2 . . 2.800 2.267 1.946 2.519 . 0 0 "[ . 1 . 2]" 1
166 1 14 LYS H 1 14 LYS HD3 . . 2.900 2.939 2.923 3.030 0.130 18 0 "[ . 1 . 2]" 1
167 1 14 LYS H 1 14 LYS QE . . 6.380 4.232 3.839 4.432 . 0 0 "[ . 1 . 2]" 1
168 1 14 LYS H 1 14 LYS HG2 . . 4.480 4.184 4.014 4.476 . 0 0 "[ . 1 . 2]" 1
169 1 14 LYS H 1 14 LYS HG3 . . 3.760 3.508 3.170 3.760 . 0 0 "[ . 1 . 2]" 1
170 1 14 LYS H 1 15 ALA H . . 2.930 2.587 2.074 3.053 0.123 15 0 "[ . 1 . 2]" 1
171 1 14 LYS H 1 15 ALA MB . . 5.220 4.017 3.636 4.633 . 0 0 "[ . 1 . 2]" 1
172 1 14 LYS H 1 37 VAL MG2 . . 6.360 5.932 5.216 6.385 0.025 14 0 "[ . 1 . 2]" 1
173 1 14 LYS HA 1 14 LYS HB2 . . 2.860 3.014 2.970 3.024 0.164 4 0 "[ . 1 . 2]" 1
174 1 14 LYS HA 1 14 LYS HB3 . . 2.770 2.530 2.442 2.683 . 0 0 "[ . 1 . 2]" 1
175 1 14 LYS HA 1 14 LYS HD2 . . 4.450 3.391 2.650 3.671 . 0 0 "[ . 1 . 2]" 1
176 1 14 LYS HA 1 14 LYS HD3 . . 5.500 4.204 3.666 4.393 . 0 0 "[ . 1 . 2]" 1
177 1 14 LYS HA 1 14 LYS QE . . 6.040 4.609 4.224 4.919 . 0 0 "[ . 1 . 2]" 1
178 1 14 LYS HA 1 14 LYS HG2 . . 3.830 3.554 3.475 3.628 . 0 0 "[ . 1 . 2]" 1
179 1 14 LYS HA 1 14 LYS HG3 . . 3.480 2.341 2.168 2.450 . 0 0 "[ . 1 . 2]" 1
180 1 14 LYS HA 1 15 ALA H . . 3.270 3.171 2.848 3.539 0.269 11 0 "[ . 1 . 2]" 1
181 1 14 LYS HB2 1 14 LYS HD2 . . 2.900 2.901 2.833 3.146 0.246 18 0 "[ . 1 . 2]" 1
182 1 14 LYS HB2 1 14 LYS HD3 . . 2.400 2.250 2.229 2.398 . 0 0 "[ . 1 . 2]" 1
183 1 14 LYS HB2 1 14 LYS QE . . 5.020 3.900 3.796 4.053 . 0 0 "[ . 1 . 2]" 1
184 1 14 LYS HB2 1 15 ALA H . . 4.200 3.650 2.815 4.196 . 0 0 "[ . 1 . 2]" 1
185 1 14 LYS HB3 1 14 LYS HD2 . . 3.800 3.835 3.792 3.861 0.061 1 0 "[ . 1 . 2]" 1
186 1 14 LYS HB3 1 14 LYS HD3 . . 3.400 3.491 3.460 3.637 0.237 18 0 "[ . 1 . 2]" 1
187 1 14 LYS HB3 1 15 ALA H . . 4.390 4.178 3.251 4.422 0.032 3 0 "[ . 1 . 2]" 1
188 1 14 LYS HD2 1 14 LYS HG2 . . 2.900 3.011 3.007 3.013 0.113 19 0 "[ . 1 . 2]" 1
189 1 14 LYS HD2 1 14 LYS HG3 . . 2.400 2.384 2.363 2.394 . 0 0 "[ . 1 . 2]" 1
190 1 14 LYS HD3 1 14 LYS HG2 . . 2.400 2.518 2.507 2.543 0.143 1 0 "[ . 1 . 2]" 1
191 1 14 LYS HD3 1 14 LYS HG3 . . 2.900 3.013 3.008 3.016 0.116 2 0 "[ . 1 . 2]" 1
192 1 14 LYS HG3 1 15 ALA H . . 5.500 4.978 4.816 5.223 . 0 0 "[ . 1 . 2]" 1
193 1 15 ALA H 1 15 ALA HA . . 3.020 2.797 2.284 2.949 . 0 0 "[ . 1 . 2]" 1
194 1 15 ALA H 1 35 GLY HA2 . . 3.320 3.448 2.822 3.782 0.462 11 0 "[ . 1 . 2]" 1
195 1 15 ALA H 1 35 GLY HA3 . . 3.640 3.332 2.358 3.875 0.235 16 0 "[ . 1 . 2]" 1
196 1 15 ALA HA 1 16 SER H . . 2.620 2.413 2.141 2.648 0.028 13 0 "[ . 1 . 2]" 1
197 1 15 ALA MB 1 16 SER H . . 3.880 3.021 2.085 3.720 . 0 0 "[ . 1 . 2]" 1
198 1 15 ALA MB 1 36 GLY HA2 . . 4.970 4.016 2.562 5.394 0.424 16 0 "[ . 1 . 2]" 1
199 1 15 ALA MB 1 36 GLY HA3 . . 5.120 4.273 2.549 5.216 0.096 16 0 "[ . 1 . 2]" 1
200 1 16 SER H 1 16 SER HA . . 2.710 2.848 2.764 2.947 0.237 9 0 "[ . 1 . 2]" 1
201 1 16 SER H 1 16 SER HB2 . . 3.520 3.380 2.783 3.595 0.075 9 0 "[ . 1 . 2]" 1
202 1 16 SER H 1 16 SER HB3 . . 3.500 3.178 2.787 3.524 0.024 3 0 "[ . 1 . 2]" 1
203 1 16 SER HA 1 16 SER HB2 . . 2.740 2.614 2.433 2.750 0.010 5 0 "[ . 1 . 2]" 1
204 1 16 SER HA 1 16 SER HB3 . . 2.740 2.753 2.280 3.029 0.289 6 0 "[ . 1 . 2]" 1
205 1 16 SER HA 1 17 PHE H . . 2.740 2.627 2.170 3.095 0.355 11 0 "[ . 1 . 2]" 1
206 1 16 SER HA 1 33 ILE MG . . 3.420 2.899 2.358 3.448 0.028 1 0 "[ . 1 . 2]" 1
207 1 16 SER HB2 1 33 ILE MG . . 4.380 4.419 4.136 4.585 0.205 15 0 "[ . 1 . 2]" 1
208 1 16 SER HB3 1 33 ILE MG . . 4.630 4.458 3.939 4.926 0.296 6 0 "[ . 1 . 2]" 1
209 1 17 PHE H 1 17 PHE HB2 . . 3.420 2.850 2.332 3.650 0.230 10 0 "[ . 1 . 2]" 1
210 1 17 PHE H 1 17 PHE HB3 . . 3.080 3.016 2.637 3.606 0.526 16 1 "[ . 1 .+ 2]" 1
211 1 17 PHE H 1 33 ILE MG . . 4.600 3.179 2.099 4.005 . 0 0 "[ . 1 . 2]" 1
212 1 17 PHE H 1 34 TYR H . . 3.480 3.492 3.014 3.634 0.154 14 0 "[ . 1 . 2]" 1
213 1 17 PHE HA 1 18 THR H . . 2.860 2.300 2.155 2.539 . 0 0 "[ . 1 . 2]" 1
214 1 17 PHE HB2 1 18 THR H . . 3.900 3.996 2.981 4.423 0.523 19 1 "[ . 1 . +2]" 1
215 1 17 PHE HB2 1 34 TYR H . . 5.500 5.170 3.728 5.565 0.065 17 0 "[ . 1 . 2]" 1
216 1 17 PHE HB3 1 18 THR H . . 4.110 3.477 2.598 3.964 . 0 0 "[ . 1 . 2]" 1
217 1 17 PHE HB3 1 34 TYR H . . 4.970 4.275 3.619 5.438 0.468 10 0 "[ . 1 . 2]" 1
218 1 18 THR H 1 18 THR HA . . 2.990 2.931 2.851 2.945 . 0 0 "[ . 1 . 2]" 1
219 1 18 THR H 1 18 THR HB . . 3.100 3.007 2.690 3.316 0.216 18 0 "[ . 1 . 2]" 1
220 1 18 THR H 1 33 ILE MG . . 5.190 4.716 3.892 5.190 0.000 8 0 "[ . 1 . 2]" 1
221 1 18 THR HA 1 18 THR HB . . 2.830 2.520 2.377 2.886 0.056 3 0 "[ . 1 . 2]" 1
222 1 18 THR HA 1 19 ARG H . . 2.490 2.176 2.145 2.190 . 0 0 "[ . 1 . 2]" 1
223 1 18 THR HA 1 32 PHE H . . 4.110 4.144 3.989 4.290 0.180 10 0 "[ . 1 . 2]" 1
224 1 18 THR HA 1 33 ILE HA . . 2.400 2.309 1.950 2.533 0.133 14 0 "[ . 1 . 2]" 1
225 1 18 THR HA 1 33 ILE MG . . 4.260 3.782 3.510 3.959 . 0 0 "[ . 1 . 2]" 1
226 1 18 THR HA 1 34 TYR H . . 3.420 3.067 2.456 3.428 0.008 13 0 "[ . 1 . 2]" 1
227 1 18 THR HB 1 19 ARG H . . 4.000 3.991 3.371 4.216 0.216 16 0 "[ . 1 . 2]" 1
228 1 18 THR HB 1 34 TYR H . . 5.100 5.248 5.118 5.572 0.472 14 0 "[ . 1 . 2]" 1
229 1 18 THR MG 1 19 ARG H . . 4.810 3.763 2.905 4.075 . 0 0 "[ . 1 . 2]" 1
230 1 18 THR MG 1 31 THR HB . . 3.700 3.593 2.450 3.874 0.174 16 0 "[ . 1 . 2]" 1
231 1 18 THR MG 1 31 THR MG . . 5.090 3.876 3.453 4.173 . 0 0 "[ . 1 . 2]" 1
232 1 18 THR MG 1 32 PHE H . . 5.400 4.679 2.888 5.373 . 0 0 "[ . 1 . 2]" 1
233 1 19 ARG H 1 19 ARG HB2 . . 3.920 2.715 2.368 2.864 . 0 0 "[ . 1 . 2]" 1
234 1 19 ARG H 1 19 ARG HB3 . . 3.700 3.759 3.464 3.840 0.140 4 0 "[ . 1 . 2]" 1
235 1 19 ARG H 1 19 ARG HD2 . . 5.500 4.591 3.634 5.246 . 0 0 "[ . 1 . 2]" 1
236 1 19 ARG H 1 19 ARG HD3 . . 5.500 3.850 2.783 5.524 0.024 10 0 "[ . 1 . 2]" 1
237 1 19 ARG H 1 19 ARG HG2 . . 5.500 3.015 2.369 4.867 . 0 0 "[ . 1 . 2]" 1
238 1 19 ARG H 1 19 ARG HG3 . . 4.200 3.993 3.076 4.402 0.202 18 0 "[ . 1 . 2]" 1
239 1 19 ARG H 1 31 THR HA . . 4.400 4.427 4.229 4.584 0.184 18 0 "[ . 1 . 2]" 1
240 1 19 ARG H 1 32 PHE H . . 3.270 2.722 2.393 2.869 . 0 0 "[ . 1 . 2]" 1
241 1 19 ARG H 1 33 ILE HA . . 3.580 3.599 3.412 3.700 0.120 11 0 "[ . 1 . 2]" 1
242 1 19 ARG HA 1 19 ARG HB3 . . 2.990 2.440 2.326 2.777 . 0 0 "[ . 1 . 2]" 1
243 1 19 ARG HA 1 19 ARG HD2 . . 4.070 2.920 2.129 4.095 0.025 4 0 "[ . 1 . 2]" 1
244 1 19 ARG HA 1 19 ARG HD3 . . 4.760 2.788 2.005 4.220 . 0 0 "[ . 1 . 2]" 1
245 1 19 ARG HA 1 19 ARG HG3 . . 4.420 3.580 2.136 3.918 . 0 0 "[ . 1 . 2]" 1
246 1 19 ARG HA 1 20 TYR H . . 3.050 2.461 2.303 2.653 . 0 0 "[ . 1 . 2]" 1
247 1 19 ARG HA 1 44 PHE H . . 4.140 4.186 3.900 4.317 0.177 18 0 "[ . 1 . 2]" 1
248 1 19 ARG HB2 1 19 ARG HD3 . . 3.800 3.594 2.063 4.015 0.215 10 0 "[ . 1 . 2]" 1
249 1 19 ARG HB2 1 20 TYR H . . 3.370 3.419 3.040 3.604 0.234 18 0 "[ . 1 . 2]" 1
250 1 19 ARG HB2 1 44 PHE H . . 5.500 3.262 2.457 3.989 . 0 0 "[ . 1 . 2]" 1
251 1 19 ARG HB3 1 20 TYR H . . 3.550 2.385 2.016 2.794 . 0 0 "[ . 1 . 2]" 1
252 1 19 ARG HB3 1 21 TYR QD . . 7.630 5.532 3.872 7.311 . 0 0 "[ . 1 . 2]" 1
253 1 19 ARG HB3 1 44 PHE H . . 5.500 2.151 1.911 2.803 . 0 0 "[ . 1 . 2]" 1
254 1 19 ARG HD2 1 20 TYR H . . 4.880 4.165 3.315 5.037 0.157 18 0 "[ . 1 . 2]" 1
255 1 19 ARG HD2 1 45 LEU HA . . 3.170 2.700 1.985 3.310 0.140 20 0 "[ . 1 . 2]" 1
256 1 19 ARG HD3 1 20 TYR H . . 5.190 4.678 3.957 5.245 0.055 10 0 "[ . 1 . 2]" 1
257 1 19 ARG HG2 1 20 TYR H . . 5.500 4.700 3.458 5.104 . 0 0 "[ . 1 . 2]" 1
258 1 19 ARG HG3 1 20 TYR H . . 5.500 4.617 2.997 5.130 . 0 0 "[ . 1 . 2]" 1
259 1 20 TYR H 1 44 PHE H . . 3.450 2.889 2.005 3.466 0.016 2 0 "[ . 1 . 2]" 1
260 1 20 TYR H 1 45 LEU HA . . 3.800 3.991 3.494 4.141 0.341 14 0 "[ . 1 . 2]" 1
261 1 20 TYR HA 1 21 TYR H . . 2.710 2.262 2.145 2.420 . 0 0 "[ . 1 . 2]" 1
262 1 20 TYR HA 1 30 GLU H . . 4.500 4.543 4.359 4.656 0.156 12 0 "[ . 1 . 2]" 1
263 1 20 TYR HA 1 31 THR HA . . 2.830 2.318 1.976 2.625 . 0 0 "[ . 1 . 2]" 1
264 1 20 TYR HA 1 31 THR MG . . 5.280 2.840 1.969 3.724 . 0 0 "[ . 1 . 2]" 1
265 1 20 TYR HA 1 32 PHE H . . 3.580 3.749 3.557 3.987 0.407 5 0 "[ . 1 . 2]" 1
266 1 20 TYR QB 1 21 TYR H . . 4.890 2.838 2.467 3.301 . 0 0 "[ . 1 . 2]" 1
267 1 20 TYR QD 1 21 TYR H . . 7.630 3.724 1.945 4.838 . 0 0 "[ . 1 . 2]" 1
268 1 20 TYR QD 1 30 GLU H . . 7.630 4.611 3.320 6.493 . 0 0 "[ . 1 . 2]" 1
269 1 20 TYR QD 1 30 GLU HB3 . . 7.630 6.410 5.509 7.379 . 0 0 "[ . 1 . 2]" 1
270 1 20 TYR QE 1 21 TYR H . . 7.630 5.737 4.063 6.855 . 0 0 "[ . 1 . 2]" 1
271 1 21 TYR H 1 21 TYR HA . . 2.830 2.897 2.811 2.944 0.114 18 0 "[ . 1 . 2]" 1
272 1 21 TYR H 1 21 TYR HB2 . . 3.830 3.622 2.560 3.997 0.167 3 0 "[ . 1 . 2]" 1
273 1 21 TYR H 1 21 TYR HB3 . . 4.170 3.279 2.791 3.623 . 0 0 "[ . 1 . 2]" 1
274 1 21 TYR H 1 30 GLU H . . 3.390 2.876 2.521 3.249 . 0 0 "[ . 1 . 2]" 1
275 1 21 TYR H 1 31 THR HA . . 3.640 3.533 3.093 3.734 0.094 20 0 "[ . 1 . 2]" 1
276 1 21 TYR HA 1 21 TYR HB2 . . 2.680 2.515 2.338 2.962 0.282 5 0 "[ . 1 . 2]" 1
277 1 21 TYR HA 1 21 TYR HB3 . . 2.750 2.646 2.419 3.011 0.261 19 0 "[ . 1 . 2]" 1
278 1 21 TYR HA 1 22 TYR H . . 2.710 2.260 2.143 2.769 0.059 13 0 "[ . 1 . 2]" 1
279 1 21 TYR HA 1 44 PHE QD . . 5.860 4.895 2.943 5.980 0.120 13 0 "[ . 1 . 2]" 1
280 1 21 TYR QD 1 30 GLU H . . 7.630 4.417 3.600 5.945 . 0 0 "[ . 1 . 2]" 1
281 1 22 TYR H 1 22 TYR HB2 . . 3.580 2.657 2.193 3.502 . 0 0 "[ . 1 . 2]" 1
282 1 22 TYR H 1 22 TYR HB3 . . 3.580 2.849 2.642 3.544 . 0 0 "[ . 1 . 2]" 1
283 1 22 TYR HA 1 22 TYR HB2 . . 3.140 2.624 2.536 2.883 . 0 0 "[ . 1 . 2]" 1
284 1 22 TYR HA 1 22 TYR HB3 . . 2.960 2.919 2.237 3.020 0.060 9 0 "[ . 1 . 2]" 1
285 1 22 TYR HA 1 23 ASN H . . 2.520 2.223 2.172 2.245 . 0 0 "[ . 1 . 2]" 1
286 1 22 TYR HA 1 29 CYS HA . . 2.590 2.211 1.957 2.393 . 0 0 "[ . 1 . 2]" 1
287 1 22 TYR HA 1 30 GLU H . . 3.800 3.597 3.377 3.790 . 0 0 "[ . 1 . 2]" 1
288 1 22 TYR HB2 1 23 ASN H . . 3.900 4.093 2.937 4.297 0.397 7 0 "[ . 1 . 2]" 1
289 1 22 TYR HB3 1 23 ASN H . . 4.010 3.707 3.158 3.996 . 0 0 "[ . 1 . 2]" 1
290 1 22 TYR HB3 1 54 CYS HB2 . . 4.630 3.193 2.921 3.689 . 0 0 "[ . 1 . 2]" 1
291 1 22 TYR HB3 1 54 CYS HB3 . . 4.660 4.728 4.619 4.884 0.224 8 0 "[ . 1 . 2]" 1
292 1 23 ASN H 1 23 ASN QB . . 3.600 3.173 2.864 3.248 . 0 0 "[ . 1 . 2]" 1
293 1 23 ASN H 1 28 LYS H . . 3.390 3.358 3.203 3.525 0.135 2 0 "[ . 1 . 2]" 1
294 1 23 ASN H 1 29 CYS HA . . 3.270 3.218 2.894 3.446 0.176 8 0 "[ . 1 . 2]" 1
295 1 23 ASN HA 1 24 GLU H . . 2.620 2.245 2.142 2.314 . 0 0 "[ . 1 . 2]" 1
296 1 23 ASN QB 1 28 LYS H . . 4.450 4.223 3.545 4.450 . 0 0 "[ . 1 . 2]" 1
297 1 24 GLU H 1 24 GLU HA . . 2.900 2.888 2.830 2.915 0.015 8 0 "[ . 1 . 2]" 1
298 1 24 GLU H 1 24 GLU HB2 . . 3.080 2.491 2.176 3.626 0.546 12 1 "[ . 1 + . 2]" 1
299 1 24 GLU H 1 24 GLU HB3 . . 2.960 2.796 2.215 3.106 0.146 17 0 "[ . 1 . 2]" 1
300 1 24 GLU H 1 24 GLU HG2 . . 4.760 4.408 3.110 4.666 . 0 0 "[ . 1 . 2]" 1
301 1 24 GLU H 1 24 GLU HG3 . . 4.500 4.338 2.185 4.634 0.134 1 0 "[ . 1 . 2]" 1
302 1 24 GLU H 1 25 GLU H . . 4.300 3.831 2.418 4.322 0.022 12 0 "[ . 1 . 2]" 1
303 1 24 GLU H 1 26 SER H . . 5.000 4.922 4.214 5.143 0.143 10 0 "[ . 1 . 2]" 1
304 1 24 GLU HA 1 24 GLU HB2 . . 2.740 2.618 2.313 2.789 0.049 17 0 "[ . 1 . 2]" 1
305 1 24 GLU HA 1 24 GLU HB3 . . 3.000 2.926 2.477 2.989 . 0 0 "[ . 1 . 2]" 1
306 1 24 GLU HA 1 24 GLU HG2 . . 4.350 3.532 2.720 4.183 . 0 0 "[ . 1 . 2]" 1
307 1 24 GLU HA 1 24 GLU HG3 . . 3.500 3.042 2.534 3.592 0.092 12 0 "[ . 1 . 2]" 1
308 1 24 GLU HA 1 25 GLU H . . 3.480 3.043 2.864 3.503 0.023 2 0 "[ . 1 . 2]" 1
309 1 24 GLU HA 1 27 GLY HA2 . . 2.900 2.919 2.517 3.069 0.169 17 0 "[ . 1 . 2]" 1
310 1 24 GLU HA 1 27 GLY HA3 . . 4.190 4.248 3.901 4.392 0.202 8 0 "[ . 1 . 2]" 1
311 1 24 GLU HA 1 28 LYS H . . 4.200 4.194 3.941 4.366 0.166 2 0 "[ . 1 . 2]" 1
312 1 24 GLU HB2 1 24 GLU HG2 . . 2.400 2.440 2.294 2.719 0.319 12 0 "[ . 1 . 2]" 1
313 1 24 GLU HB2 1 24 GLU HG3 . . 2.930 2.917 2.559 3.011 0.081 11 0 "[ . 1 . 2]" 1
314 1 24 GLU HB3 1 24 GLU HG3 . . 2.400 2.443 2.287 2.725 0.325 12 0 "[ . 1 . 2]" 1
315 1 24 GLU HG2 1 25 GLU H . . 5.500 3.599 2.936 4.670 . 0 0 "[ . 1 . 2]" 1
316 1 24 GLU HG3 1 25 GLU H . . 3.270 2.562 1.918 3.368 0.098 3 0 "[ . 1 . 2]" 1
317 1 25 GLU H 1 25 GLU HA . . 2.830 2.387 2.276 2.727 . 0 0 "[ . 1 . 2]" 1
318 1 25 GLU H 1 25 GLU QB . . 3.780 2.829 2.065 3.422 . 0 0 "[ . 1 . 2]" 1
319 1 25 GLU H 1 26 SER H . . 3.020 2.683 2.606 2.904 . 0 0 "[ . 1 . 2]" 1
320 1 25 GLU H 1 27 GLY H . . 5.000 3.863 3.741 3.945 . 0 0 "[ . 1 . 2]" 1
321 1 25 GLU HA 1 26 SER H . . 3.330 3.248 3.134 3.515 0.185 16 0 "[ . 1 . 2]" 1
322 1 25 GLU QB 1 26 SER H . . 4.270 3.349 2.761 3.598 . 0 0 "[ . 1 . 2]" 1
323 1 25 GLU QB 1 27 GLY H . . 5.360 4.409 4.298 4.540 . 0 0 "[ . 1 . 2]" 1
324 1 26 SER H 1 26 SER HA . . 3.050 2.807 2.751 2.947 . 0 0 "[ . 1 . 2]" 1
325 1 26 SER H 1 26 SER HB2 . . 3.800 3.748 3.210 3.846 0.046 8 0 "[ . 1 . 2]" 1
326 1 26 SER H 1 26 SER HB3 . . 3.210 3.097 2.598 3.197 . 0 0 "[ . 1 . 2]" 1
327 1 26 SER H 1 27 GLY H . . 2.500 1.798 1.767 1.851 . 0 0 "[ . 1 . 2]" 1
328 1 26 SER HA 1 26 SER HB2 . . 2.400 2.352 2.280 2.407 0.007 9 0 "[ . 1 . 2]" 1
329 1 26 SER HA 1 26 SER HB3 . . 2.840 2.920 2.516 3.025 0.185 9 0 "[ . 1 . 2]" 1
330 1 26 SER HA 1 27 GLY H . . 3.330 3.434 3.317 3.476 0.146 7 0 "[ . 1 . 2]" 1
331 1 27 GLY H 1 27 GLY HA2 . . 3.050 2.309 2.295 2.320 . 0 0 "[ . 1 . 2]" 1
332 1 27 GLY H 1 27 GLY HA3 . . 2.900 2.863 2.813 2.885 . 0 0 "[ . 1 . 2]" 1
333 1 27 GLY H 1 28 LYS H . . 4.300 2.672 2.520 2.856 . 0 0 "[ . 1 . 2]" 1
334 1 27 GLY HA2 1 28 LYS H . . 3.450 2.699 2.476 2.979 . 0 0 "[ . 1 . 2]" 1
335 1 27 GLY HA3 1 28 LYS H . . 3.420 3.549 3.482 3.569 0.149 7 0 "[ . 1 . 2]" 1
336 1 28 LYS H 1 28 LYS HB2 . . 2.800 2.819 2.736 2.853 0.053 2 0 "[ . 1 . 2]" 1
337 1 28 LYS H 1 28 LYS HB3 . . 3.920 3.828 3.783 3.850 . 0 0 "[ . 1 . 2]" 1
338 1 28 LYS H 1 28 LYS HD2 . . 5.500 4.512 4.440 4.567 . 0 0 "[ . 1 . 2]" 1
339 1 28 LYS H 1 28 LYS HD3 . . 3.630 3.706 3.649 3.787 0.157 2 0 "[ . 1 . 2]" 1
340 1 28 LYS H 1 28 LYS QE . . 6.380 5.010 4.824 5.121 . 0 0 "[ . 1 . 2]" 1
341 1 28 LYS H 1 28 LYS HG2 . . 4.380 2.620 2.586 2.716 . 0 0 "[ . 1 . 2]" 1
342 1 28 LYS H 1 28 LYS HG3 . . 4.260 4.056 4.018 4.129 . 0 0 "[ . 1 . 2]" 1
343 1 28 LYS HA 1 28 LYS HD2 . . 2.600 2.584 2.398 2.637 0.037 12 0 "[ . 1 . 2]" 1
344 1 28 LYS HA 1 28 LYS HD3 . . 2.600 2.673 2.632 2.708 0.108 12 0 "[ . 1 . 2]" 1
345 1 28 LYS HA 1 28 LYS QE . . 5.790 4.303 4.234 4.341 . 0 0 "[ . 1 . 2]" 1
346 1 28 LYS HA 1 28 LYS HG2 . . 4.010 3.270 3.248 3.281 . 0 0 "[ . 1 . 2]" 1
347 1 28 LYS HA 1 29 CYS H . . 2.830 2.463 2.389 2.648 . 0 0 "[ . 1 . 2]" 1
348 1 28 LYS HB2 1 28 LYS HD2 . . 3.400 3.570 3.559 3.577 0.177 5 0 "[ . 1 . 2]" 1
349 1 28 LYS HB2 1 28 LYS HD3 . . 3.900 3.895 3.886 3.912 0.012 2 0 "[ . 1 . 2]" 1
350 1 28 LYS HB2 1 28 LYS QE . . 4.200 4.170 4.151 4.185 . 0 0 "[ . 1 . 2]" 1
351 1 28 LYS HB2 1 28 LYS HG2 . . 2.960 2.457 2.427 2.473 . 0 0 "[ . 1 . 2]" 1
352 1 28 LYS HB2 1 28 LYS HG3 . . 3.080 2.410 2.395 2.440 . 0 0 "[ . 1 . 2]" 1
353 1 28 LYS HB2 1 29 CYS H . . 3.300 3.274 2.895 3.451 0.151 8 0 "[ . 1 . 2]" 1
354 1 28 LYS HB3 1 28 LYS HD2 . . 2.400 2.334 2.304 2.383 . 0 0 "[ . 1 . 2]" 1
355 1 28 LYS HB3 1 28 LYS HD3 . . 3.400 3.368 3.348 3.454 0.054 8 0 "[ . 1 . 2]" 1
356 1 28 LYS HB3 1 28 LYS QE . . 3.700 3.646 3.608 3.716 0.016 8 0 "[ . 1 . 2]" 1
357 1 28 LYS HB3 1 28 LYS HG2 . . 3.000 3.011 3.011 3.012 0.012 11 0 "[ . 1 . 2]" 1
358 1 28 LYS HB3 1 29 CYS H . . 3.300 2.406 2.124 2.557 . 0 0 "[ . 1 . 2]" 1
359 1 28 LYS HD2 1 28 LYS HG3 . . 2.600 2.639 2.630 2.664 0.064 8 0 "[ . 1 . 2]" 1
360 1 28 LYS HD3 1 28 LYS HG3 . . 2.900 2.979 2.967 2.983 0.083 1 0 "[ . 1 . 2]" 1
361 1 28 LYS HG2 1 29 CYS H . . 5.500 4.905 4.725 4.975 . 0 0 "[ . 1 . 2]" 1
362 1 28 LYS HG3 1 29 CYS H . . 5.340 4.809 4.529 4.956 . 0 0 "[ . 1 . 2]" 1
363 1 29 CYS H 1 29 CYS HB2 . . 3.050 2.898 2.380 3.194 0.144 19 0 "[ . 1 . 2]" 1
364 1 29 CYS H 1 29 CYS HB3 . . 3.520 2.987 2.580 3.728 0.208 13 0 "[ . 1 . 2]" 1
365 1 29 CYS HA 1 29 CYS HB2 . . 2.990 2.636 2.412 3.024 0.034 13 0 "[ . 1 . 2]" 1
366 1 29 CYS HA 1 29 CYS HB3 . . 2.990 2.901 2.416 3.026 0.036 16 0 "[ . 1 . 2]" 1
367 1 29 CYS HA 1 30 GLU H . . 2.460 2.245 2.168 2.328 . 0 0 "[ . 1 . 2]" 1
368 1 29 CYS HA 1 30 GLU HA . . 4.500 4.442 4.382 4.498 . 0 0 "[ . 1 . 2]" 1
369 1 29 CYS HA 1 30 GLU QG . . 5.730 4.144 3.359 4.672 . 0 0 "[ . 1 . 2]" 1
370 1 29 CYS HB2 1 30 GLU H . . 3.980 4.071 4.015 4.228 0.248 20 0 "[ . 1 . 2]" 1
371 1 29 CYS HB3 1 30 GLU H . . 4.140 3.603 2.724 4.096 . 0 0 "[ . 1 . 2]" 1
372 1 30 GLU H 1 30 GLU HA . . 2.900 2.921 2.866 2.944 0.044 19 0 "[ . 1 . 2]" 1
373 1 30 GLU H 1 30 GLU HB2 . . 3.900 2.785 2.492 3.905 0.005 2 0 "[ . 1 . 2]" 1
374 1 30 GLU H 1 30 GLU HB3 . . 3.580 3.710 3.576 3.807 0.227 12 0 "[ . 1 . 2]" 1
375 1 30 GLU HA 1 30 GLU HB3 . . 2.650 2.597 2.343 2.755 0.105 8 0 "[ . 1 . 2]" 1
376 1 30 GLU HA 1 31 THR H . . 2.800 2.638 2.536 2.701 . 0 0 "[ . 1 . 2]" 1
377 1 30 GLU HB2 1 31 THR H . . 3.300 3.276 1.930 3.500 0.200 8 0 "[ . 1 . 2]" 1
378 1 30 GLU HB3 1 31 THR H . . 3.330 2.101 1.923 3.367 0.037 2 0 "[ . 1 . 2]" 1
379 1 30 GLU QG 1 31 THR H . . 6.130 3.684 3.218 4.028 . 0 0 "[ . 1 . 2]" 1
380 1 31 THR H 1 31 THR HB . . 3.800 3.801 3.570 3.910 0.110 19 0 "[ . 1 . 2]" 1
381 1 31 THR H 1 31 THR MG . . 4.290 2.856 2.347 3.540 . 0 0 "[ . 1 . 2]" 1
382 1 31 THR HA 1 31 THR HB . . 2.650 2.439 2.228 2.655 0.005 18 0 "[ . 1 . 2]" 1
383 1 31 THR HA 1 31 THR MG . . 3.670 2.367 2.008 3.007 . 0 0 "[ . 1 . 2]" 1
384 1 31 THR HA 1 32 PHE H . . 2.490 2.257 2.183 2.396 . 0 0 "[ . 1 . 2]" 1
385 1 31 THR HA 1 32 PHE QD . . 6.640 4.403 2.793 5.866 . 0 0 "[ . 1 . 2]" 1
386 1 31 THR HB 1 32 PHE H . . 3.020 2.890 2.466 3.123 0.103 3 0 "[ . 1 . 2]" 1
387 1 31 THR MG 1 32 PHE H . . 4.970 3.855 3.310 4.102 . 0 0 "[ . 1 . 2]" 1
388 1 32 PHE H 1 32 PHE HB2 . . 4.040 3.475 3.038 3.995 . 0 0 "[ . 1 . 2]" 1
389 1 32 PHE H 1 32 PHE HB3 . . 4.110 3.195 2.803 3.927 . 0 0 "[ . 1 . 2]" 1
390 1 32 PHE HA 1 33 ILE H . . 3.020 2.439 2.172 2.726 . 0 0 "[ . 1 . 2]" 1
391 1 32 PHE HB2 1 33 ILE H . . 3.760 3.146 1.999 3.879 0.119 8 0 "[ . 1 . 2]" 1
392 1 32 PHE HB3 1 33 ILE H . . 3.200 3.497 2.951 3.802 0.602 6 2 "[ .+ 1 . - 2]" 1
393 1 32 PHE QE 1 34 TYR HB3 . . 7.630 5.925 4.224 7.716 0.086 12 0 "[ . 1 . 2]" 1
394 1 32 PHE QE 1 43 ASN HB2 . . 7.350 6.057 3.542 7.413 0.063 7 0 "[ . 1 . 2]" 1
395 1 32 PHE QE 1 43 ASN HB3 . . 7.320 6.072 3.863 7.408 0.088 8 0 "[ . 1 . 2]" 1
396 1 33 ILE H 1 33 ILE HB . . 2.830 2.637 2.574 2.688 . 0 0 "[ . 1 . 2]" 1
397 1 33 ILE H 1 33 ILE HG12 . . 4.110 3.892 3.671 4.114 0.004 13 0 "[ . 1 . 2]" 1
398 1 33 ILE H 1 33 ILE HG13 . . 3.670 2.706 2.377 2.925 . 0 0 "[ . 1 . 2]" 1
399 1 33 ILE HA 1 33 ILE HG12 . . 3.830 3.356 2.613 3.544 . 0 0 "[ . 1 . 2]" 1
400 1 33 ILE HA 1 33 ILE HG13 . . 4.140 2.534 2.432 2.974 . 0 0 "[ . 1 . 2]" 1
401 1 33 ILE HA 1 34 TYR H . . 2.710 2.169 2.140 2.272 . 0 0 "[ . 1 . 2]" 1
402 1 33 ILE HB 1 33 ILE HG12 . . 3.020 2.786 2.694 3.021 0.001 9 0 "[ . 1 . 2]" 1
403 1 33 ILE HB 1 33 ILE HG13 . . 2.990 2.886 2.525 2.967 . 0 0 "[ . 1 . 2]" 1
404 1 33 ILE HB 1 34 TYR H . . 4.260 4.117 3.710 4.335 0.075 14 0 "[ . 1 . 2]" 1
405 1 33 ILE HG13 1 34 TYR H . . 4.970 4.624 4.498 4.952 . 0 0 "[ . 1 . 2]" 1
406 1 33 ILE MG 1 34 TYR H . . 4.500 2.632 1.998 3.104 . 0 0 "[ . 1 . 2]" 1
407 1 34 TYR H 1 34 TYR HB2 . . 3.300 3.066 2.626 3.567 0.267 19 0 "[ . 1 . 2]" 1
408 1 34 TYR H 1 34 TYR HB3 . . 3.300 2.700 2.297 3.312 0.012 13 0 "[ . 1 . 2]" 1
409 1 34 TYR HA 1 35 GLY H . . 2.800 2.285 2.173 2.408 . 0 0 "[ . 1 . 2]" 1
410 1 34 TYR HB2 1 35 GLY H . . 4.140 3.904 2.939 4.153 0.013 10 0 "[ . 1 . 2]" 1
411 1 34 TYR HB3 1 35 GLY H . . 4.140 3.801 2.912 4.236 0.096 7 0 "[ . 1 . 2]" 1
412 1 34 TYR QD 1 35 GLY H . . 7.630 2.757 1.943 3.362 . 0 0 "[ . 1 . 2]" 1
413 1 34 TYR QD 1 43 ASN HB2 . . 7.630 4.320 3.204 5.435 . 0 0 "[ . 1 . 2]" 1
414 1 34 TYR QD 1 43 ASN HB3 . . 7.630 4.385 3.039 5.574 . 0 0 "[ . 1 . 2]" 1
415 1 35 GLY H 1 35 GLY HA3 . . 2.960 2.626 2.297 2.907 . 0 0 "[ . 1 . 2]" 1
416 1 36 GLY HA3 1 37 VAL H . . 3.640 2.601 2.141 3.393 . 0 0 "[ . 1 . 2]" 1
417 1 37 VAL H 1 37 VAL HA . . 3.080 2.895 2.876 2.948 . 0 0 "[ . 1 . 2]" 1
418 1 37 VAL H 1 37 VAL HB . . 3.080 2.653 2.463 2.921 . 0 0 "[ . 1 . 2]" 1
419 1 37 VAL H 1 37 VAL MG2 . . 4.660 2.263 1.909 3.829 . 0 0 "[ . 1 . 2]" 1
420 1 37 VAL HA 1 37 VAL HB . . 3.110 2.992 2.621 3.021 . 0 0 "[ . 1 . 2]" 1
421 1 37 VAL HA 1 38 GLY H . . 2.770 2.266 2.144 2.624 . 0 0 "[ . 1 . 2]" 1
422 1 37 VAL HB 1 38 GLY H . . 4.110 3.810 2.664 4.166 0.056 17 0 "[ . 1 . 2]" 1
423 1 37 VAL MG1 1 38 GLY H . . 5.430 2.275 1.891 2.876 . 0 0 "[ . 1 . 2]" 1
424 1 37 VAL MG2 1 38 GLY H . . 5.560 3.914 1.906 4.250 . 0 0 "[ . 1 . 2]" 1
425 1 38 GLY HA2 1 39 GLY H . . 3.140 2.211 2.142 2.322 . 0 0 "[ . 1 . 2]" 1
426 1 38 GLY HA3 1 39 GLY H . . 3.420 3.118 2.925 3.520 0.100 18 0 "[ . 1 . 2]" 1
427 1 39 GLY HA2 1 40 ASN H . . 2.930 2.328 2.141 2.470 . 0 0 "[ . 1 . 2]" 1
428 1 39 GLY HA3 1 40 ASN H . . 3.170 2.907 2.660 3.478 0.308 20 0 "[ . 1 . 2]" 1
429 1 40 ASN H 1 40 ASN HA . . 3.140 2.597 2.277 2.909 . 0 0 "[ . 1 . 2]" 1
430 1 40 ASN H 1 40 ASN HB2 . . 4.230 3.278 2.758 3.951 . 0 0 "[ . 1 . 2]" 1
431 1 40 ASN H 1 40 ASN HB3 . . 3.950 3.633 2.869 3.961 0.011 17 0 "[ . 1 . 2]" 1
432 1 40 ASN HA 1 40 ASN HB2 . . 2.930 2.961 2.645 3.013 0.083 14 0 "[ . 1 . 2]" 1
433 1 40 ASN HA 1 40 ASN HB3 . . 3.020 2.317 2.236 2.364 . 0 0 "[ . 1 . 2]" 1
434 1 40 ASN HA 1 41 SER H . . 3.020 2.758 2.604 3.090 0.070 18 0 "[ . 1 . 2]" 1
435 1 40 ASN HB2 1 41 SER H . . 2.830 2.436 1.929 2.862 0.032 14 0 "[ . 1 . 2]" 1
436 1 40 ASN HB3 1 41 SER H . . 3.110 2.282 2.037 3.270 0.160 10 0 "[ . 1 . 2]" 1
437 1 41 SER H 1 41 SER HA . . 2.860 2.828 2.278 2.948 0.088 2 0 "[ . 1 . 2]" 1
438 1 41 SER H 1 41 SER HB2 . . 3.300 2.792 2.407 3.932 0.632 17 1 "[ . 1 . + 2]" 1
439 1 41 SER H 1 41 SER HB3 . . 3.300 2.726 2.347 3.216 . 0 0 "[ . 1 . 2]" 1
440 1 41 SER H 1 42 ASN H . . 3.420 2.550 1.837 3.674 0.254 18 0 "[ . 1 . 2]" 1
441 1 41 SER HA 1 41 SER HB2 . . 2.520 2.500 2.242 2.631 0.111 1 0 "[ . 1 . 2]" 1
442 1 41 SER HA 1 41 SER HB3 . . 3.000 2.995 2.686 3.029 0.029 6 0 "[ . 1 . 2]" 1
443 1 41 SER HA 1 42 ASN H . . 3.300 3.164 2.145 3.500 0.200 4 0 "[ . 1 . 2]" 1
444 1 41 SER HA 1 43 ASN H . . 3.730 3.540 3.221 3.888 0.158 17 0 "[ . 1 . 2]" 1
445 1 41 SER HB2 1 42 ASN H . . 4.200 4.182 3.400 4.400 0.200 1 0 "[ . 1 . 2]" 1
446 1 41 SER HB3 1 42 ASN H . . 4.320 3.548 1.942 4.590 0.270 18 0 "[ . 1 . 2]" 1
447 1 42 ASN H 1 42 ASN HA . . 3.110 2.839 2.298 2.941 . 0 0 "[ . 1 . 2]" 1
448 1 42 ASN H 1 42 ASN HB2 . . 3.050 2.571 2.165 3.334 0.284 6 0 "[ . 1 . 2]" 1
449 1 42 ASN H 1 42 ASN HB3 . . 3.080 2.851 2.074 3.495 0.415 4 0 "[ . 1 . 2]" 1
450 1 42 ASN H 1 43 ASN H . . 3.980 2.731 2.002 3.243 . 0 0 "[ . 1 . 2]" 1
451 1 42 ASN HB2 1 43 ASN H . . 4.290 4.217 3.549 4.602 0.312 4 0 "[ . 1 . 2]" 1
452 1 42 ASN HB3 1 43 ASN H . . 4.040 3.745 2.525 4.261 0.221 7 0 "[ . 1 . 2]" 1
453 1 43 ASN H 1 43 ASN HA . . 2.800 2.853 2.274 2.948 0.148 13 0 "[ . 1 . 2]" 1
454 1 43 ASN H 1 43 ASN HB2 . . 3.480 3.124 2.173 3.685 0.205 7 0 "[ . 1 . 2]" 1
455 1 43 ASN H 1 43 ASN HB3 . . 3.550 3.028 2.224 3.664 0.114 14 0 "[ . 1 . 2]" 1
456 1 43 ASN H 1 44 PHE H . . 4.380 4.370 3.746 4.570 0.190 15 0 "[ . 1 . 2]" 1
457 1 43 ASN HA 1 44 PHE H . . 2.680 2.206 2.139 2.710 0.030 18 0 "[ . 1 . 2]" 1
458 1 43 ASN HB3 1 44 PHE H . . 4.540 3.908 2.962 4.463 . 0 0 "[ . 1 . 2]" 1
459 1 44 PHE H 1 44 PHE QB . . 3.800 2.750 2.462 2.975 . 0 0 "[ . 1 . 2]" 1
460 1 44 PHE HA 1 45 LEU H . . 2.590 2.229 2.139 3.278 0.688 19 1 "[ . 1 . +2]" 1
461 1 44 PHE HA 1 46 THR H . . 3.730 3.569 3.340 4.088 0.358 19 0 "[ . 1 . 2]" 1
462 1 44 PHE QB 1 45 LEU H . . 4.000 3.315 2.712 3.507 . 0 0 "[ . 1 . 2]" 1
463 1 44 PHE QB 1 46 THR H . . 3.050 2.316 2.101 2.510 . 0 0 "[ . 1 . 2]" 1
464 1 44 PHE QB 1 47 LYS H . . 3.950 5.501 5.068 5.937 1.987 8 20 [*******+***********-] 1
465 1 45 LEU H 1 45 LEU HA . . 2.930 2.830 2.273 2.878 . 0 0 "[ . 1 . 2]" 1
466 1 45 LEU H 1 45 LEU HB2 . . 3.210 2.627 2.380 3.526 0.316 19 0 "[ . 1 . 2]" 1
467 1 45 LEU H 1 45 LEU HB3 . . 3.700 3.611 3.570 4.048 0.348 19 0 "[ . 1 . 2]" 1
468 1 45 LEU H 1 45 LEU MD1 . . 5.370 2.045 1.897 2.667 . 0 0 "[ . 1 . 2]" 1
469 1 45 LEU H 1 45 LEU MD2 . . 5.310 3.853 1.943 4.478 . 0 0 "[ . 1 . 2]" 1
470 1 45 LEU H 1 45 LEU HG . . 3.330 2.922 2.266 3.783 0.453 13 0 "[ . 1 . 2]" 1
471 1 45 LEU H 1 46 THR H . . 3.170 2.632 2.616 2.699 . 0 0 "[ . 1 . 2]" 1
472 1 45 LEU HA 1 45 LEU HB2 . . 2.900 3.004 2.977 3.015 0.115 12 0 "[ . 1 . 2]" 1
473 1 45 LEU HA 1 45 LEU HB3 . . 2.490 2.411 2.297 2.520 0.030 20 0 "[ . 1 . 2]" 1
474 1 45 LEU HA 1 45 LEU MD1 . . 4.320 3.400 2.004 3.750 . 0 0 "[ . 1 . 2]" 1
475 1 45 LEU HA 1 45 LEU MD2 . . 4.070 3.535 3.426 3.637 . 0 0 "[ . 1 . 2]" 1
476 1 45 LEU HA 1 45 LEU HG . . 3.450 2.639 2.415 3.665 0.215 13 0 "[ . 1 . 2]" 1
477 1 45 LEU HA 1 46 THR H . . 3.210 3.238 3.152 3.346 0.136 20 0 "[ . 1 . 2]" 1
478 1 45 LEU HB2 1 45 LEU HG . . 2.900 2.948 2.630 2.993 0.093 20 0 "[ . 1 . 2]" 1
479 1 45 LEU HB2 1 46 THR H . . 3.360 3.584 3.342 3.741 0.381 19 0 "[ . 1 . 2]" 1
480 1 45 LEU HB2 1 46 THR MG . . 5.250 3.983 3.430 4.672 . 0 0 "[ . 1 . 2]" 1
481 1 45 LEU HB3 1 45 LEU HG . . 2.600 2.647 2.279 2.726 0.126 3 0 "[ . 1 . 2]" 1
482 1 45 LEU HB3 1 46 THR H . . 4.350 4.339 4.081 4.467 0.117 14 0 "[ . 1 . 2]" 1
483 1 45 LEU HB3 1 46 THR MG . . 5.250 4.808 4.041 5.266 0.016 5 0 "[ . 1 . 2]" 1
484 1 45 LEU MD1 1 46 THR H . . 6.240 4.017 3.690 4.267 . 0 0 "[ . 1 . 2]" 1
485 1 45 LEU MD2 1 46 THR H . . 6.120 5.307 3.909 5.483 . 0 0 "[ . 1 . 2]" 1
486 1 46 THR H 1 46 THR HB . . 4.170 3.503 3.206 3.691 . 0 0 "[ . 1 . 2]" 1
487 1 46 THR HA 1 46 THR HB . . 2.740 2.674 2.367 2.888 0.148 17 0 "[ . 1 . 2]" 1
488 1 46 THR HA 1 47 LYS H . . 3.640 2.417 2.232 2.939 . 0 0 "[ . 1 . 2]" 1
489 1 46 THR HB 1 47 LYS H . . 2.650 2.635 2.162 3.320 0.670 20 1 "[ . 1 . +]" 1
490 1 46 THR MG 1 49 ASP H . . 5.990 3.952 3.107 5.961 . 0 0 "[ . 1 . 2]" 1
491 1 47 LYS H 1 47 LYS HB2 . . 3.400 2.594 2.287 3.260 . 0 0 "[ . 1 . 2]" 1
492 1 47 LYS H 1 47 LYS HB3 . . 3.400 2.917 2.285 3.768 0.368 20 0 "[ . 1 . 2]" 1
493 1 47 LYS H 1 47 LYS QE . . 6.380 5.021 4.100 5.270 . 0 0 "[ . 1 . 2]" 1
494 1 47 LYS H 1 47 LYS QG . . 4.710 3.962 3.480 4.508 . 0 0 "[ . 1 . 2]" 1
495 1 47 LYS H 1 47 LYS QZ . . 6.480 6.119 3.866 6.529 0.049 12 0 "[ . 1 . 2]" 1
496 1 47 LYS H 1 48 GLU H . . 3.210 2.713 2.467 3.565 0.355 20 0 "[ . 1 . 2]" 1
497 1 47 LYS HA 1 47 LYS QD . . 3.280 3.196 2.378 3.594 0.314 12 0 "[ . 1 . 2]" 1
498 1 47 LYS HA 1 47 LYS QZ . . 6.480 4.995 2.409 5.593 . 0 0 "[ . 1 . 2]" 1
499 1 47 LYS HA 1 48 GLU H . . 3.500 3.491 2.153 3.572 0.072 14 0 "[ . 1 . 2]" 1
500 1 47 LYS HB2 1 47 LYS QD . . 3.280 3.175 1.958 3.457 0.177 8 0 "[ . 1 . 2]" 1
501 1 47 LYS HB2 1 47 LYS QE . . 3.280 3.277 2.868 3.587 0.307 20 0 "[ . 1 . 2]" 1
502 1 47 LYS HB3 1 47 LYS QD . . 3.280 2.382 2.148 3.367 0.087 20 0 "[ . 1 . 2]" 1
503 1 47 LYS HB3 1 47 LYS QE . . 3.340 2.643 2.099 3.703 0.363 20 0 "[ . 1 . 2]" 1
504 1 47 LYS QE 1 48 GLU HA . . 4.490 4.357 3.812 4.723 0.233 15 0 "[ . 1 . 2]" 1
505 1 48 GLU H 1 48 GLU HA . . 2.860 2.764 2.740 2.786 . 0 0 "[ . 1 . 2]" 1
506 1 48 GLU H 1 48 GLU HB2 . . 3.020 2.097 2.086 2.111 . 0 0 "[ . 1 . 2]" 1
507 1 48 GLU H 1 48 GLU HB3 . . 3.450 3.393 3.377 3.412 . 0 0 "[ . 1 . 2]" 1
508 1 48 GLU H 1 48 GLU HG2 . . 4.910 3.956 3.881 4.041 . 0 0 "[ . 1 . 2]" 1
509 1 48 GLU H 1 48 GLU HG3 . . 4.140 3.294 3.222 3.348 . 0 0 "[ . 1 . 2]" 1
510 1 48 GLU H 1 49 ASP H . . 3.300 2.813 2.744 2.886 . 0 0 "[ . 1 . 2]" 1
511 1 48 GLU H 1 50 CYS H . . 4.320 4.237 4.086 4.591 0.271 20 0 "[ . 1 . 2]" 1
512 1 48 GLU H 1 51 CYS H . . 5.800 5.812 5.503 6.056 0.256 20 0 "[ . 1 . 2]" 1
513 1 48 GLU HA 1 48 GLU HB2 . . 2.830 2.899 2.897 2.910 0.080 20 0 "[ . 1 . 2]" 1
514 1 48 GLU HA 1 48 GLU HB3 . . 2.740 2.794 2.780 2.796 0.056 1 0 "[ . 1 . 2]" 1
515 1 48 GLU HA 1 48 GLU HG2 . . 3.760 2.163 2.113 2.228 . 0 0 "[ . 1 . 2]" 1
516 1 48 GLU HA 1 48 GLU HG3 . . 2.990 2.911 2.814 2.990 . 0 0 "[ . 1 . 2]" 1
517 1 48 GLU HA 1 49 ASP H . . 3.500 3.533 3.415 3.560 0.060 11 0 "[ . 1 . 2]" 1
518 1 48 GLU HA 1 50 CYS H . . 4.400 3.860 3.479 4.018 . 0 0 "[ . 1 . 2]" 1
519 1 48 GLU HA 1 51 CYS H . . 3.900 3.804 3.648 3.967 0.067 9 0 "[ . 1 . 2]" 1
520 1 48 GLU HA 1 51 CYS HB2 . . 4.900 4.461 3.580 4.902 0.002 1 0 "[ . 1 . 2]" 1
521 1 48 GLU HA 1 52 ARG H . . 5.300 5.221 4.954 5.425 0.125 20 0 "[ . 1 . 2]" 1
522 1 48 GLU HB2 1 48 GLU HG2 . . 2.990 2.976 2.959 2.992 0.002 19 0 "[ . 1 . 2]" 1
523 1 48 GLU HB2 1 48 GLU HG3 . . 2.400 2.295 2.267 2.329 . 0 0 "[ . 1 . 2]" 1
524 1 48 GLU HB2 1 49 ASP H . . 3.390 3.028 2.876 3.416 0.026 20 0 "[ . 1 . 2]" 1
525 1 48 GLU HB3 1 48 GLU HG3 . . 3.080 2.973 2.955 2.991 . 0 0 "[ . 1 . 2]" 1
526 1 48 GLU HB3 1 49 ASP H . . 3.550 3.026 2.795 3.563 0.013 20 0 "[ . 1 . 2]" 1
527 1 48 GLU HG2 1 49 ASP H . . 5.380 4.915 4.813 5.107 . 0 0 "[ . 1 . 2]" 1
528 1 49 ASP H 1 49 ASP HA . . 2.930 2.743 2.715 2.773 . 0 0 "[ . 1 . 2]" 1
529 1 49 ASP H 1 49 ASP HB2 . . 3.020 2.361 2.287 2.433 . 0 0 "[ . 1 . 2]" 1
530 1 49 ASP H 1 49 ASP HB3 . . 3.600 3.573 3.550 3.590 . 0 0 "[ . 1 . 2]" 1
531 1 49 ASP H 1 50 CYS H . . 3.110 2.806 2.740 2.860 . 0 0 "[ . 1 . 2]" 1
532 1 49 ASP H 1 51 CYS H . . 5.500 4.848 4.538 5.016 . 0 0 "[ . 1 . 2]" 1
533 1 49 ASP HA 1 49 ASP HB2 . . 3.000 3.004 2.991 3.014 0.014 15 0 "[ . 1 . 2]" 1
534 1 49 ASP HA 1 49 ASP HB3 . . 2.490 2.599 2.560 2.639 0.149 4 0 "[ . 1 . 2]" 1
535 1 49 ASP HA 1 50 CYS H . . 3.300 3.495 3.475 3.513 0.213 13 0 "[ . 1 . 2]" 1
536 1 49 ASP HA 1 52 ARG H . . 5.650 3.187 3.124 3.341 . 0 0 "[ . 1 . 2]" 1
537 1 49 ASP HA 1 52 ARG HB2 . . 4.300 2.300 2.050 2.805 . 0 0 "[ . 1 . 2]" 1
538 1 49 ASP HA 1 52 ARG HB3 . . 4.360 3.354 2.916 4.087 . 0 0 "[ . 1 . 2]" 1
539 1 49 ASP HB2 1 50 CYS H . . 3.020 2.927 2.813 3.032 0.012 17 0 "[ . 1 . 2]" 1
540 1 49 ASP HB3 1 50 CYS H . . 3.550 3.634 3.604 3.666 0.116 17 0 "[ . 1 . 2]" 1
541 1 50 CYS H 1 50 CYS HB2 . . 2.960 2.510 2.253 2.703 . 0 0 "[ . 1 . 2]" 1
542 1 50 CYS H 1 50 CYS HB3 . . 2.930 2.585 2.413 2.878 . 0 0 "[ . 1 . 2]" 1
543 1 50 CYS H 1 51 CYS H . . 3.080 3.038 2.870 3.126 0.046 9 0 "[ . 1 . 2]" 1
544 1 51 CYS H 1 51 CYS HA . . 3.020 2.796 2.754 2.809 . 0 0 "[ . 1 . 2]" 1
545 1 51 CYS H 1 51 CYS HB2 . . 2.740 2.366 2.104 2.689 . 0 0 "[ . 1 . 2]" 1
546 1 51 CYS H 1 51 CYS HB3 . . 3.700 2.740 2.376 3.085 . 0 0 "[ . 1 . 2]" 1
547 1 51 CYS H 1 52 ARG H . . 4.000 2.711 2.658 2.911 . 0 0 "[ . 1 . 2]" 1
548 1 51 CYS HA 1 51 CYS HB2 . . 3.000 2.562 2.380 2.740 . 0 0 "[ . 1 . 2]" 1
549 1 51 CYS HA 1 52 ARG H . . 3.270 3.527 3.511 3.561 0.291 13 0 "[ . 1 . 2]" 1
550 1 51 CYS HA 1 53 GLU H . . 4.320 4.114 3.919 4.379 0.059 13 0 "[ . 1 . 2]" 1
551 1 51 CYS HA 1 54 CYS H . . 3.900 3.490 3.375 3.625 . 0 0 "[ . 1 . 2]" 1
552 1 51 CYS HA 1 55 ALA H . . 4.400 4.279 4.187 4.426 0.026 7 0 "[ . 1 . 2]" 1
553 1 51 CYS HA 1 55 ALA MB . . 3.600 4.177 4.091 4.236 0.636 10 18 "[** ***-**+******** *]" 1
554 1 52 ARG H 1 52 ARG HA . . 2.900 2.760 2.704 2.797 . 0 0 "[ . 1 . 2]" 1
555 1 52 ARG H 1 52 ARG HB2 . . 3.050 2.097 2.092 2.110 . 0 0 "[ . 1 . 2]" 1
556 1 52 ARG H 1 52 ARG HB3 . . 3.320 3.116 3.078 3.160 . 0 0 "[ . 1 . 2]" 1
557 1 52 ARG H 1 52 ARG QD . . 5.820 3.512 3.086 4.321 . 0 0 "[ . 1 . 2]" 1
558 1 52 ARG H 1 52 ARG QG . . 4.500 3.868 3.590 3.980 . 0 0 "[ . 1 . 2]" 1
559 1 52 ARG H 1 53 GLU H . . 3.140 2.794 2.702 2.931 . 0 0 "[ . 1 . 2]" 1
560 1 52 ARG HA 1 52 ARG HB2 . . 2.710 2.740 2.726 2.743 0.033 11 0 "[ . 1 . 2]" 1
561 1 52 ARG HA 1 52 ARG HB3 . . 2.800 2.937 2.935 2.946 0.146 16 0 "[ . 1 . 2]" 1
562 1 52 ARG HA 1 52 ARG QG . . 3.050 2.532 2.441 2.583 . 0 0 "[ . 1 . 2]" 1
563 1 52 ARG HA 1 53 GLU H . . 3.480 3.527 3.518 3.533 0.053 11 0 "[ . 1 . 2]" 1
564 1 52 ARG HA 1 55 ALA H . . 3.700 2.945 2.830 3.152 . 0 0 "[ . 1 . 2]" 1
565 1 52 ARG HB2 1 52 ARG QG . . 2.400 2.289 2.167 2.344 . 0 0 "[ . 1 . 2]" 1
566 1 52 ARG HB2 1 53 GLU H . . 3.200 3.443 3.416 3.476 0.276 20 0 "[ . 1 . 2]" 1
567 1 52 ARG HB3 1 52 ARG QG . . 2.550 2.211 2.167 2.313 . 0 0 "[ . 1 . 2]" 1
568 1 52 ARG HB3 1 53 GLU H . . 2.400 2.800 2.754 2.860 0.460 20 0 "[ . 1 . 2]" 1
569 1 53 GLU H 1 53 GLU HA . . 2.930 2.767 2.751 2.797 . 0 0 "[ . 1 . 2]" 1
570 1 53 GLU H 1 53 GLU HB2 . . 2.710 2.091 2.066 2.123 . 0 0 "[ . 1 . 2]" 1
571 1 53 GLU H 1 53 GLU HB3 . . 3.330 3.365 3.277 3.435 0.105 12 0 "[ . 1 . 2]" 1
572 1 53 GLU H 1 53 GLU HG2 . . 4.290 4.294 3.882 4.430 0.140 8 0 "[ . 1 . 2]" 1
573 1 53 GLU H 1 53 GLU HG3 . . 3.520 3.481 3.282 3.658 0.138 11 0 "[ . 1 . 2]" 1
574 1 53 GLU H 1 54 CYS H . . 3.050 2.787 2.686 2.893 . 0 0 "[ . 1 . 2]" 1
575 1 53 GLU H 1 56 GLN HG2 . . 5.100 5.366 5.292 5.512 0.412 9 0 "[ . 1 . 2]" 1
576 1 53 GLU HA 1 53 GLU HB2 . . 2.900 2.884 2.826 2.931 0.031 12 0 "[ . 1 . 2]" 1
577 1 53 GLU HA 1 53 GLU HB3 . . 2.590 2.808 2.750 2.873 0.283 19 0 "[ . 1 . 2]" 1
578 1 53 GLU HA 1 53 GLU HG2 . . 3.550 2.722 2.050 3.321 . 0 0 "[ . 1 . 2]" 1
579 1 53 GLU HA 1 53 GLU HG3 . . 3.020 2.394 2.041 3.109 0.089 9 0 "[ . 1 . 2]" 1
580 1 53 GLU HA 1 54 CYS H . . 3.500 3.521 3.489 3.563 0.063 16 0 "[ . 1 . 2]" 1
581 1 53 GLU HB2 1 54 CYS H . . 3.100 3.121 2.798 3.226 0.126 20 0 "[ . 1 . 2]" 1
582 1 53 GLU HB3 1 54 CYS H . . 3.300 3.065 2.712 3.347 0.047 2 0 "[ . 1 . 2]" 1
583 1 54 CYS H 1 54 CYS HA . . 3.050 2.938 2.917 2.946 . 0 0 "[ . 1 . 2]" 1
584 1 54 CYS H 1 54 CYS HB2 . . 3.270 2.403 2.237 2.685 . 0 0 "[ . 1 . 2]" 1
585 1 54 CYS H 1 54 CYS HB3 . . 3.860 3.123 2.862 3.325 . 0 0 "[ . 1 . 2]" 1
586 1 54 CYS H 1 55 ALA H . . 2.400 2.110 1.961 2.294 . 0 0 "[ . 1 . 2]" 1
587 1 54 CYS H 1 55 ALA MB . . 4.660 3.742 3.661 3.896 . 0 0 "[ . 1 . 2]" 1
588 1 54 CYS HA 1 55 ALA H . . 3.500 3.326 3.235 3.378 . 0 0 "[ . 1 . 2]" 1
589 1 54 CYS HA 1 57 GLY H . . 3.500 3.606 3.548 3.651 0.151 20 0 "[ . 1 . 2]" 1
590 1 54 CYS HB2 1 55 ALA H . . 3.860 3.845 3.565 3.997 0.137 20 0 "[ . 1 . 2]" 1
591 1 54 CYS HB3 1 55 ALA H . . 3.830 3.578 3.317 3.877 0.047 7 0 "[ . 1 . 2]" 1
592 1 54 CYS HB3 1 57 GLY H . . 4.720 4.805 4.733 4.883 0.163 11 0 "[ . 1 . 2]" 1
593 1 55 ALA H 1 55 ALA HA . . 2.830 2.824 2.777 2.862 0.032 3 0 "[ . 1 . 2]" 1
594 1 55 ALA H 1 56 GLN H . . 3.330 2.609 2.480 2.717 . 0 0 "[ . 1 . 2]" 1
595 1 55 ALA HA 1 56 GLN H . . 3.500 3.399 3.350 3.479 . 0 0 "[ . 1 . 2]" 1
596 1 55 ALA MB 1 56 GLN H . . 4.840 3.038 2.819 3.148 . 0 0 "[ . 1 . 2]" 1
597 1 55 ALA MB 1 57 GLY H . . 5.460 4.439 4.253 4.547 . 0 0 "[ . 1 . 2]" 1
598 1 55 ALA MB 1 59 CYS HB2 . . 4.440 3.789 3.206 4.343 . 0 0 "[ . 1 . 2]" 1
599 1 55 ALA MB 1 59 CYS HB3 . . 4.160 2.632 1.986 3.503 . 0 0 "[ . 1 . 2]" 1
600 1 56 GLN H 1 56 GLN HA . . 2.800 2.858 2.823 2.910 0.110 3 0 "[ . 1 . 2]" 1
601 1 56 GLN H 1 56 GLN HB2 . . 3.390 2.639 2.478 2.718 . 0 0 "[ . 1 . 2]" 1
602 1 56 GLN H 1 56 GLN HB3 . . 3.600 3.604 3.580 3.653 0.053 3 0 "[ . 1 . 2]" 1
603 1 56 GLN H 1 56 GLN HG2 . . 3.610 2.088 1.937 2.286 . 0 0 "[ . 1 . 2]" 1
604 1 56 GLN H 1 56 GLN HG3 . . 5.040 3.615 3.504 3.732 . 0 0 "[ . 1 . 2]" 1
605 1 56 GLN HA 1 56 GLN HB2 . . 3.000 3.015 3.008 3.024 0.024 14 0 "[ . 1 . 2]" 1
606 1 56 GLN HA 1 56 GLN HB3 . . 2.740 2.393 2.358 2.475 . 0 0 "[ . 1 . 2]" 1
607 1 56 GLN HA 1 56 GLN HG2 . . 4.040 3.326 3.141 3.410 . 0 0 "[ . 1 . 2]" 1
608 1 56 GLN HA 1 56 GLN HG3 . . 3.680 3.784 3.726 3.818 0.138 13 0 "[ . 1 . 2]" 1
609 1 56 GLN HA 1 57 GLY H . . 3.500 3.422 3.294 3.481 . 0 0 "[ . 1 . 2]" 1
610 1 56 GLN HB2 1 56 GLN HG2 . . 2.400 2.394 2.379 2.411 0.011 15 0 "[ . 1 . 2]" 1
611 1 56 GLN HB2 1 56 GLN HG3 . . 2.400 2.466 2.449 2.481 0.081 1 0 "[ . 1 . 2]" 1
612 1 56 GLN HB3 1 56 GLN HG3 . . 2.400 2.387 2.372 2.404 0.004 15 0 "[ . 1 . 2]" 1
613 1 57 GLY H 1 57 GLY HA3 . . 3.050 2.635 2.419 2.736 . 0 0 "[ . 1 . 2]" 1
614 1 57 GLY HA2 1 58 SER H . . 3.500 3.047 2.746 3.568 0.068 3 0 "[ . 1 . 2]" 1
615 1 58 SER H 1 58 SER HA . . 2.800 2.843 2.801 2.946 0.146 16 0 "[ . 1 . 2]" 1
616 1 58 SER H 1 58 SER HB2 . . 3.440 3.305 3.042 3.702 0.262 9 0 "[ . 1 . 2]" 1
617 1 58 SER H 1 58 SER HB3 . . 3.330 3.408 3.279 3.499 0.169 9 0 "[ . 1 . 2]" 1
618 1 58 SER H 1 58 SER HG . . 4.790 4.064 1.942 4.778 . 0 0 "[ . 1 . 2]" 1
619 1 58 SER HA 1 58 SER HB2 . . 2.600 2.681 2.637 2.715 0.115 3 0 "[ . 1 . 2]" 1
620 1 58 SER HA 1 58 SER HB3 . . 2.900 2.838 2.272 2.980 0.080 8 0 "[ . 1 . 2]" 1
621 1 58 SER HA 1 58 SER HG . . 3.300 2.574 2.031 3.339 0.039 9 0 "[ . 1 . 2]" 1
622 1 58 SER HA 1 59 CYS H . . 3.500 3.494 2.182 3.569 0.069 1 0 "[ . 1 . 2]" 1
623 1 58 SER HB2 1 59 CYS H . . 3.110 3.092 2.405 3.215 0.105 8 0 "[ . 1 . 2]" 1
624 1 59 CYS H 1 59 CYS HA . . 2.960 2.767 2.274 2.864 . 0 0 "[ . 1 . 2]" 1
625 1 59 CYS H 1 59 CYS HB2 . . 3.360 2.638 2.115 3.245 . 0 0 "[ . 1 . 2]" 1
626 1 59 CYS H 1 59 CYS HB3 . . 3.360 2.702 2.338 3.466 0.106 16 0 "[ . 1 . 2]" 1
627 1 59 CYS HA 1 59 CYS HB2 . . 2.770 2.485 2.337 2.731 . 0 0 "[ . 1 . 2]" 1
628 1 59 CYS HA 1 59 CYS HB3 . . 2.960 3.003 2.946 3.020 0.060 11 0 "[ . 1 . 2]" 1
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