NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
377360 |
1g6m   |
4891 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g6m
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 495
_Distance_constraint_stats_list.Viol_count 900
_Distance_constraint_stats_list.Viol_total 666.339
_Distance_constraint_stats_list.Viol_max 0.434
_Distance_constraint_stats_list.Viol_rms 0.0194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0411
_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 0.008 0.004 8 0 "[ . 1 . ]"
1 2 GLU 0.046 0.006 10 0 "[ . 1 . ]"
1 3 CYS 0.237 0.035 12 0 "[ . 1 . ]"
1 4 HIS 1.295 0.094 16 0 "[ . 1 . ]"
1 5 ASN 2.779 0.091 4 0 "[ . 1 . ]"
1 6 GLN 0.435 0.040 5 0 "[ . 1 . ]"
1 7 GLN 0.434 0.041 12 0 "[ . 1 . ]"
1 8 SER 0.108 0.036 13 0 "[ . 1 . ]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 10 GLN 0.381 0.044 15 0 "[ . 1 . ]"
1 11 THR 1.422 0.199 14 0 "[ . 1 . ]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 13 THR 0.094 0.029 7 0 "[ . 1 . ]"
1 14 THR 0.022 0.015 14 0 "[ . 1 . ]"
1 15 THR 0.042 0.017 5 0 "[ . 1 . ]"
1 16 GLY 2.720 0.152 5 0 "[ . 1 . ]"
1 17 CYS 0.053 0.009 6 0 "[ . 1 . ]"
1 18 SER 0.012 0.004 2 0 "[ . 1 . ]"
1 19 GLY 0.256 0.058 12 0 "[ . 1 . ]"
1 20 GLY 1.464 0.111 12 0 "[ . 1 . ]"
1 21 GLU 0.103 0.019 8 0 "[ . 1 . ]"
1 22 ASN 0.091 0.038 8 0 "[ . 1 . ]"
1 23 ASN 0.284 0.038 8 0 "[ . 1 . ]"
1 24 CYS 0.498 0.038 16 0 "[ . 1 . ]"
1 25 TYR 5.271 0.163 16 0 "[ . 1 . ]"
1 26 LYS 0.218 0.063 8 0 "[ . 1 . ]"
1 27 LYS 3.353 0.212 8 0 "[ . 1 . ]"
1 28 GLU 1.395 0.144 17 0 "[ . 1 . ]"
1 29 TRP 3.720 0.434 5 0 "[ . 1 . ]"
1 30 ARG 1.235 0.093 10 0 "[ . 1 . ]"
1 31 ASP 0.131 0.023 15 0 "[ . 1 . ]"
1 33 ARG 1.518 0.137 11 0 "[ . 1 . ]"
1 34 GLY 0.044 0.032 11 0 "[ . 1 . ]"
1 35 TYR 0.127 0.032 11 0 "[ . 1 . ]"
1 36 ARG 0.083 0.027 14 0 "[ . 1 . ]"
1 37 THR 0.052 0.013 14 0 "[ . 1 . ]"
1 38 GLU 1.997 0.090 7 0 "[ . 1 . ]"
1 39 ARG 0.340 0.042 18 0 "[ . 1 . ]"
1 40 GLY 0.043 0.017 11 0 "[ . 1 . ]"
1 41 CYS 0.348 0.086 9 0 "[ . 1 . ]"
1 42 GLY 0.124 0.056 18 0 "[ . 1 . ]"
1 43 CYS 0.106 0.056 18 0 "[ . 1 . ]"
1 44 PRO 0.004 0.003 2 0 "[ . 1 . ]"
1 45 SER 0.048 0.016 18 0 "[ . 1 . ]"
1 46 VAL 2.699 0.268 13 0 "[ . 1 . ]"
1 47 LYS 1.345 0.268 13 0 "[ . 1 . ]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 49 GLY 0.034 0.010 12 0 "[ . 1 . ]"
1 50 ILE 2.438 0.434 5 0 "[ . 1 . ]"
1 51 GLY 0.197 0.082 12 0 "[ . 1 . ]"
1 52 ILE 0.502 0.104 8 0 "[ . 1 . ]"
1 53 ASN 1.078 0.104 8 0 "[ . 1 . ]"
1 54 CYS 0.507 0.098 15 0 "[ . 1 . ]"
1 55 CYS 0.038 0.009 12 0 "[ . 1 . ]"
1 56 THR 0.048 0.012 5 0 "[ . 1 . ]"
1 57 THR 0.372 0.032 12 0 "[ . 1 . ]"
1 58 ASP 1.013 0.064 17 0 "[ . 1 . ]"
1 59 ARG 0.037 0.010 2 0 "[ . 1 . ]"
1 60 CYS 1.261 0.104 13 0 "[ . 1 . ]"
1 61 ASN 0.266 0.018 9 0 "[ . 1 . ]"
1 62 ASN 0.243 0.065 7 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 2.330 . 3.700 2.657 1.990 3.501 . 0 0 "[ . 1 . ]" 1
2 1 1 LEU HA 1 1 LEU MD2 3.410 . 4.500 3.702 3.294 3.941 . 0 0 "[ . 1 . ]" 1
3 1 1 LEU HA 1 2 GLU H 2.390 . 2.700 2.263 2.148 2.693 . 0 0 "[ . 1 . ]" 1
4 1 1 LEU QB 1 1 LEU MD1 2.710 . 4.500 2.105 1.933 2.300 . 0 0 "[ . 1 . ]" 1
5 1 1 LEU QB 1 1 LEU MD2 2.560 . 3.700 2.044 1.981 2.138 . 0 0 "[ . 1 . ]" 1
6 1 1 LEU MD1 1 1 LEU HG 2.400 . 3.700 2.101 2.094 2.124 . 0 0 "[ . 1 . ]" 1
7 1 1 LEU MD1 1 2 GLU H 2.820 . 4.500 3.611 2.176 4.504 0.004 8 0 "[ . 1 . ]" 1
8 1 1 LEU MD1 1 22 ASN HA 3.510 . 6.000 3.783 2.285 4.771 . 0 0 "[ . 1 . ]" 1
9 1 1 LEU MD1 1 58 ASP H 3.360 . 4.500 3.399 2.289 4.065 . 0 0 "[ . 1 . ]" 1
10 1 1 LEU MD1 1 59 ARG H 3.750 . 6.000 5.067 3.334 5.992 . 0 0 "[ . 1 . ]" 1
11 1 1 LEU MD2 1 1 LEU HG 2.310 . 3.700 2.108 2.097 2.125 . 0 0 "[ . 1 . ]" 1
12 1 1 LEU MD2 1 22 ASN HA 2.670 . 3.700 2.733 1.847 3.703 0.003 15 0 "[ . 1 . ]" 1
13 1 1 LEU MD2 1 23 ASN HA 3.400 . 4.500 3.795 2.896 4.327 . 0 0 "[ . 1 . ]" 1
14 1 1 LEU HG 1 2 GLU H 3.120 . 3.500 2.572 2.001 3.350 . 0 0 "[ . 1 . ]" 1
15 1 2 GLU H 1 2 GLU QB 2.840 . 4.500 2.627 2.217 3.123 . 0 0 "[ . 1 . ]" 1
16 1 2 GLU H 1 58 ASP HA 3.210 . 3.500 3.210 2.683 3.504 0.004 14 0 "[ . 1 . ]" 1
17 1 2 GLU HA 1 2 GLU QB 2.460 . 3.700 2.423 2.172 2.538 . 0 0 "[ . 1 . ]" 1
18 1 2 GLU HA 1 3 CYS H 2.330 . 2.700 2.246 2.136 2.430 . 0 0 "[ . 1 . ]" 1
19 1 2 GLU HA 1 16 GLY HA2 2.490 . 2.700 2.104 1.988 2.497 . 0 0 "[ . 1 . ]" 1
20 1 2 GLU HA 1 16 GLY HA3 2.890 . 3.500 3.094 2.361 3.502 0.002 14 0 "[ . 1 . ]" 1
21 1 2 GLU HA 1 17 CYS H 3.190 . 3.500 3.369 3.037 3.506 0.006 10 0 "[ . 1 . ]" 1
22 1 2 GLU QB 1 2 GLU HG2 2.520 . 3.700 2.348 2.152 2.527 . 0 0 "[ . 1 . ]" 1
23 1 2 GLU QB 1 3 CYS H 3.300 . 4.500 3.197 2.386 3.807 . 0 0 "[ . 1 . ]" 1
24 1 2 GLU QB 1 59 ARG H 4.210 . 6.000 4.155 3.157 4.769 . 0 0 "[ . 1 . ]" 1
25 1 2 GLU QB 1 59 ARG HG3 3.020 . 4.500 4.011 3.386 4.503 0.003 1 0 "[ . 1 . ]" 1
26 1 3 CYS H 1 3 CYS HB3 3.830 . 5.000 3.659 3.474 3.864 . 0 0 "[ . 1 . ]" 1
27 1 3 CYS H 1 15 THR MG 3.680 . 6.000 4.036 2.599 5.508 . 0 0 "[ . 1 . ]" 1
28 1 3 CYS HA 1 3 CYS HB2 2.880 . 3.500 2.966 2.937 3.026 . 0 0 "[ . 1 . ]" 1
29 1 3 CYS HA 1 3 CYS HB3 2.570 . 2.700 2.670 2.412 2.735 0.035 12 0 "[ . 1 . ]" 1
30 1 3 CYS HA 1 4 HIS H 2.570 . 2.700 2.482 2.188 2.668 . 0 0 "[ . 1 . ]" 1
31 1 3 CYS HA 1 59 ARG H 3.020 . 3.500 2.635 2.169 3.237 . 0 0 "[ . 1 . ]" 1
32 1 3 CYS HA 1 59 ARG HA 2.610 . 2.700 2.503 2.085 2.705 0.005 3 0 "[ . 1 . ]" 1
33 1 3 CYS HA 1 61 ASN HD22 4.540 . 5.000 4.193 3.524 4.531 . 0 0 "[ . 1 . ]" 1
34 1 3 CYS HB2 1 4 HIS H 3.880 . 5.000 3.739 2.966 4.348 . 0 0 "[ . 1 . ]" 1
35 1 3 CYS HB2 1 61 ASN HD22 3.790 . 5.000 3.490 2.210 4.238 . 0 0 "[ . 1 . ]" 1
36 1 3 CYS HB3 1 4 HIS H 3.100 . 3.500 2.380 1.990 3.258 . 0 0 "[ . 1 . ]" 1
37 1 3 CYS HB3 1 61 ASN HD21 3.900 . 5.000 3.482 3.156 4.141 . 0 0 "[ . 1 . ]" 1
38 1 3 CYS HB3 1 61 ASN HD22 2.930 . 3.500 2.012 1.904 2.527 . 0 0 "[ . 1 . ]" 1
39 1 4 HIS H 1 4 HIS HB2 2.690 . 2.700 2.354 2.224 2.693 . 0 0 "[ . 1 . ]" 1
40 1 4 HIS H 1 4 HIS HB3 3.430 . 3.490 3.555 3.512 3.584 0.094 16 0 "[ . 1 . ]" 1
41 1 4 HIS H 1 4 HIS HD2 3.810 . 5.000 2.930 2.211 3.726 . 0 0 "[ . 1 . ]" 1
42 1 4 HIS H 1 59 ARG HA 3.430 . 3.490 3.357 3.092 3.500 0.010 2 0 "[ . 1 . ]" 1
43 1 4 HIS H 1 61 ASN HD21 3.760 . 5.000 4.118 3.302 4.908 . 0 0 "[ . 1 . ]" 1
44 1 4 HIS H 1 61 ASN HD22 2.940 . 3.500 2.703 2.007 3.505 0.005 9 0 "[ . 1 . ]" 1
45 1 4 HIS HA 1 4 HIS HB3 2.350 . 2.700 2.533 2.348 2.655 . 0 0 "[ . 1 . ]" 1
46 1 4 HIS HA 1 5 ASN H 2.510 . 2.700 2.253 2.142 2.424 . 0 0 "[ . 1 . ]" 1
47 1 4 HIS HA 1 14 THR HA 2.910 . 3.500 2.454 1.947 3.367 . 0 0 "[ . 1 . ]" 1
48 1 4 HIS HA 1 14 THR MG 3.240 . 4.500 3.235 1.967 4.356 . 0 0 "[ . 1 . ]" 1
49 1 4 HIS HB2 1 4 HIS HD2 3.160 . 3.500 2.774 2.701 2.862 . 0 0 "[ . 1 . ]" 1
50 1 4 HIS HB3 1 5 ASN H 3.770 . 5.000 3.064 2.416 3.944 . 0 0 "[ . 1 . ]" 1
51 1 4 HIS HB3 1 6 GLN H 3.890 . 5.000 3.284 2.495 3.799 . 0 0 "[ . 1 . ]" 1
52 1 4 HIS HD2 1 59 ARG HA 3.150 . 3.500 2.712 2.360 3.339 . 0 0 "[ . 1 . ]" 1
53 1 4 HIS HD2 1 61 ASN H 3.430 . 3.490 3.488 3.349 3.500 0.010 18 0 "[ . 1 . ]" 1
54 1 4 HIS HD2 1 62 ASN H 3.950 . 5.000 3.713 3.201 4.222 . 0 0 "[ . 1 . ]" 1
55 1 4 HIS HD2 1 62 ASN HA 3.200 . 3.500 2.630 2.087 3.310 . 0 0 "[ . 1 . ]" 1
56 1 4 HIS HD2 1 62 ASN HB2 3.690 . 5.000 3.264 2.114 4.733 . 0 0 "[ . 1 . ]" 1
57 1 4 HIS HD2 1 62 ASN HB3 3.580 . 5.000 4.169 2.726 5.000 0.000 5 0 "[ . 1 . ]" 1
58 1 4 HIS HE1 1 14 THR MG 3.370 . 4.500 3.188 2.369 4.498 . 0 0 "[ . 1 . ]" 1
59 1 5 ASN H 1 5 ASN HB2 4.020 . 5.000 3.685 3.577 3.781 . 0 0 "[ . 1 . ]" 1
60 1 5 ASN H 1 5 ASN HB3 3.840 . 5.000 3.035 2.693 3.371 . 0 0 "[ . 1 . ]" 1
61 1 5 ASN H 1 6 GLN H 2.630 . 2.700 2.204 1.949 2.669 . 0 0 "[ . 1 . ]" 1
62 1 5 ASN H 1 14 THR HA 3.120 . 3.500 3.119 2.198 3.504 0.004 3 0 "[ . 1 . ]" 1
63 1 5 ASN HA 1 5 ASN HB2 2.390 . 2.700 2.522 2.434 2.560 . 0 0 "[ . 1 . ]" 1
64 1 5 ASN HA 1 5 ASN HB3 2.480 . 2.700 2.399 2.366 2.480 . 0 0 "[ . 1 . ]" 1
65 1 5 ASN HA 1 6 GLN H 3.010 . 3.500 3.430 3.118 3.540 0.040 5 0 "[ . 1 . ]" 1
66 1 5 ASN HB2 1 5 ASN HD21 3.290 . 3.500 2.504 2.459 2.525 . 0 0 "[ . 1 . ]" 1
67 1 5 ASN HB2 1 5 ASN HD22 2.920 . 3.500 3.569 3.553 3.578 0.078 7 0 "[ . 1 . ]" 1
68 1 5 ASN HB2 1 6 GLN H 3.580 . 5.000 3.850 3.373 4.439 . 0 0 "[ . 1 . ]" 1
69 1 5 ASN HB2 1 15 THR MG 3.400 . 4.500 3.399 2.970 4.504 0.004 4 0 "[ . 1 . ]" 1
70 1 5 ASN HB3 1 5 ASN HD22 3.240 . 3.500 3.573 3.565 3.591 0.091 4 0 "[ . 1 . ]" 1
71 1 5 ASN HD21 1 15 THR HB 3.290 . 3.500 2.705 2.176 3.457 . 0 0 "[ . 1 . ]" 1
72 1 5 ASN HD21 1 15 THR MG 3.760 . 6.000 2.759 1.953 3.777 . 0 0 "[ . 1 . ]" 1
73 1 5 ASN HD22 1 15 THR HB 3.290 . 3.500 3.178 2.626 3.502 0.002 9 0 "[ . 1 . ]" 1
74 1 5 ASN HD22 1 15 THR MG 3.460 . 4.500 3.626 2.771 4.478 . 0 0 "[ . 1 . ]" 1
75 1 6 GLN H 1 6 GLN HB2 2.940 . 3.500 2.246 2.121 2.514 . 0 0 "[ . 1 . ]" 1
76 1 6 GLN H 1 6 GLN HB3 3.450 . 3.490 2.880 2.592 3.037 . 0 0 "[ . 1 . ]" 1
77 1 6 GLN H 1 13 THR H 3.490 . 3.490 3.282 2.694 3.519 0.029 7 0 "[ . 1 . ]" 1
78 1 6 GLN HA 1 7 GLN H 2.410 . 2.700 2.377 2.264 2.711 0.011 12 0 "[ . 1 . ]" 1
79 1 6 GLN HB2 1 13 THR H 2.910 . 3.500 2.388 1.995 3.154 . 0 0 "[ . 1 . ]" 1
80 1 6 GLN HB3 1 7 GLN H 3.170 . 3.500 3.294 2.425 3.527 0.027 9 0 "[ . 1 . ]" 1
81 1 7 GLN H 1 7 GLN HB2 3.510 . 5.000 3.879 3.616 3.992 . 0 0 "[ . 1 . ]" 1
82 1 7 GLN H 1 7 GLN HB3 2.740 . 3.500 3.382 3.072 3.524 0.024 9 0 "[ . 1 . ]" 1
83 1 7 GLN H 1 7 GLN QG 3.020 . 4.500 2.439 2.093 3.023 . 0 0 "[ . 1 . ]" 1
84 1 7 GLN HA 1 7 GLN HB2 2.610 . 2.700 2.493 2.408 2.627 . 0 0 "[ . 1 . ]" 1
85 1 7 GLN HA 1 7 GLN HB3 2.830 . 3.500 2.409 2.308 2.488 . 0 0 "[ . 1 . ]" 1
86 1 7 GLN HA 1 7 GLN QG 2.600 . 3.700 3.387 3.317 3.475 . 0 0 "[ . 1 . ]" 1
87 1 7 GLN HA 1 8 SER H 2.510 . 2.700 2.489 2.128 2.736 0.036 13 0 "[ . 1 . ]" 1
88 1 7 GLN HA 1 38 GLU HA 4.000 . 5.000 3.606 2.676 4.731 . 0 0 "[ . 1 . ]" 1
89 1 7 GLN HB2 1 8 SER H 3.250 . 3.500 2.363 1.926 3.507 0.007 8 0 "[ . 1 . ]" 1
90 1 7 GLN HB3 1 8 SER H 3.870 . 5.000 3.675 3.276 4.273 . 0 0 "[ . 1 . ]" 1
91 1 7 GLN QG 1 8 SER H 4.180 . 6.000 3.648 2.751 4.418 . 0 0 "[ . 1 . ]" 1
92 1 7 GLN QG 1 38 GLU HA 2.590 . 3.700 3.585 2.862 3.741 0.041 12 0 "[ . 1 . ]" 1
93 1 8 SER H 1 8 SER HA 2.700 . 3.500 2.440 2.264 2.844 . 0 0 "[ . 1 . ]" 1
94 1 8 SER H 1 8 SER QB 3.170 . 4.500 2.822 2.365 3.032 . 0 0 "[ . 1 . ]" 1
95 1 8 SER H 1 37 THR H 3.340 . 3.500 3.259 2.667 3.512 0.012 3 0 "[ . 1 . ]" 1
96 1 9 SER HA 1 9 SER QB 2.250 . 3.700 2.318 2.171 2.522 . 0 0 "[ . 1 . ]" 1
97 1 9 SER HA 1 10 GLN H 3.920 . 5.000 2.704 2.202 3.578 . 0 0 "[ . 1 . ]" 1
98 1 9 SER QB 1 10 GLN H 3.220 . 4.500 3.062 1.953 3.927 . 0 0 "[ . 1 . ]" 1
99 1 10 GLN H 1 10 GLN HB2 2.650 . 2.700 2.209 2.128 2.312 . 0 0 "[ . 1 . ]" 1
100 1 10 GLN H 1 10 GLN HB3 3.370 . 3.500 3.499 3.436 3.544 0.044 15 0 "[ . 1 . ]" 1
101 1 10 GLN H 1 10 GLN HG2 3.460 . 3.500 3.468 3.250 3.510 0.010 4 0 "[ . 1 . ]" 1
102 1 10 GLN H 1 10 GLN HG3 3.040 . 3.500 3.249 2.537 3.507 0.007 16 0 "[ . 1 . ]" 1
103 1 10 GLN HA 1 10 GLN HB2 2.710 . 3.500 2.981 2.949 3.010 . 0 0 "[ . 1 . ]" 1
104 1 10 GLN HA 1 10 GLN HB3 2.580 . 2.700 2.652 2.566 2.715 0.015 9 0 "[ . 1 . ]" 1
105 1 10 GLN HA 1 10 GLN HG2 2.720 . 3.500 2.167 2.082 2.338 . 0 0 "[ . 1 . ]" 1
106 1 10 GLN HA 1 10 GLN HG3 3.080 . 3.500 3.355 3.081 3.470 . 0 0 "[ . 1 . ]" 1
107 1 10 GLN HB2 1 11 THR H 3.620 . 5.000 3.346 2.149 4.446 . 0 0 "[ . 1 . ]" 1
108 1 10 GLN HB3 1 11 THR H 2.830 . 3.500 2.674 1.878 3.524 0.024 13 0 "[ . 1 . ]" 1
109 1 11 THR H 1 11 THR HA 2.380 . 2.700 2.627 2.266 2.899 0.199 14 0 "[ . 1 . ]" 1
110 1 11 THR H 1 11 THR HB 2.750 . 3.500 3.324 2.562 3.535 0.035 7 0 "[ . 1 . ]" 1
111 1 11 THR H 1 11 THR MG 4.050 . 6.000 3.489 2.011 4.077 . 0 0 "[ . 1 . ]" 1
112 1 11 THR MG 1 12 PRO HD3 3.510 . 6.000 4.131 3.108 4.756 . 0 0 "[ . 1 . ]" 1
113 1 12 PRO HA 1 13 THR H 2.380 . 2.700 2.386 2.154 2.668 . 0 0 "[ . 1 . ]" 1
114 1 12 PRO QB 1 12 PRO HG2 2.230 . 3.700 2.233 2.184 2.250 . 0 0 "[ . 1 . ]" 1
115 1 12 PRO QB 1 13 THR H 3.520 . 6.000 2.701 1.988 3.758 . 0 0 "[ . 1 . ]" 1
116 1 12 PRO HD3 1 12 PRO HG2 2.950 . 3.500 2.912 2.676 2.989 . 0 0 "[ . 1 . ]" 1
117 1 13 THR H 1 13 THR MG 3.460 . 4.500 3.353 2.672 3.684 . 0 0 "[ . 1 . ]" 1
118 1 13 THR HA 1 13 THR HB 2.400 . 2.700 2.614 2.351 2.702 0.002 8 0 "[ . 1 . ]" 1
119 1 13 THR HA 1 14 THR H 2.550 . 2.700 2.536 2.334 2.643 . 0 0 "[ . 1 . ]" 1
120 1 13 THR HB 1 13 THR MG 2.220 . 3.700 2.093 2.072 2.118 . 0 0 "[ . 1 . ]" 1
121 1 13 THR HB 1 14 THR H 2.640 . 2.700 2.203 1.975 2.701 0.001 1 0 "[ . 1 . ]" 1
122 1 13 THR MG 1 14 THR H 3.380 . 4.500 3.283 2.977 3.813 . 0 0 "[ . 1 . ]" 1
123 1 14 THR H 1 14 THR MG 3.490 . 4.500 3.021 2.062 3.527 . 0 0 "[ . 1 . ]" 1
124 1 14 THR HA 1 14 THR HB 2.450 . 2.700 2.510 2.331 2.659 . 0 0 "[ . 1 . ]" 1
125 1 14 THR HA 1 14 THR MG 2.540 . 3.700 2.360 2.097 3.186 . 0 0 "[ . 1 . ]" 1
126 1 14 THR HA 1 15 THR H 2.470 . 2.700 2.263 2.139 2.483 . 0 0 "[ . 1 . ]" 1
127 1 14 THR HB 1 15 THR H 2.840 . 3.500 2.937 2.260 3.515 0.015 14 0 "[ . 1 . ]" 1
128 1 14 THR MG 1 15 THR H 3.480 . 4.500 3.755 3.335 4.199 . 0 0 "[ . 1 . ]" 1
129 1 15 THR H 1 15 THR MG 2.810 . 4.500 2.669 1.978 3.985 . 0 0 "[ . 1 . ]" 1
130 1 15 THR HA 1 16 GLY H 2.370 . 2.700 2.267 2.146 2.717 0.017 5 0 "[ . 1 . ]" 1
131 1 15 THR HB 1 16 GLY H 4.110 . 5.000 4.147 3.496 4.498 . 0 0 "[ . 1 . ]" 1
132 1 15 THR MG 1 16 GLY H 3.540 . 6.000 3.628 2.365 4.286 . 0 0 "[ . 1 . ]" 1
133 1 16 GLY H 1 16 GLY HA2 2.540 . 2.700 2.850 2.848 2.852 0.152 5 0 "[ . 1 . ]" 1
134 1 16 GLY H 1 16 GLY HA3 2.590 . 2.700 2.388 2.298 2.699 . 0 0 "[ . 1 . ]" 1
135 1 16 GLY HA2 1 17 CYS H 2.540 . 2.700 2.241 2.139 2.622 . 0 0 "[ . 1 . ]" 1
136 1 16 GLY HA3 1 17 CYS H 3.050 . 3.500 3.033 2.504 3.321 . 0 0 "[ . 1 . ]" 1
137 1 17 CYS H 1 17 CYS HB2 2.990 . 3.500 2.615 2.418 2.858 . 0 0 "[ . 1 . ]" 1
138 1 17 CYS H 1 17 CYS HB3 3.730 . 5.000 3.695 3.621 3.860 . 0 0 "[ . 1 . ]" 1
139 1 17 CYS HA 1 17 CYS HB2 2.860 . 3.500 3.023 3.012 3.029 . 0 0 "[ . 1 . ]" 1
140 1 17 CYS HA 1 17 CYS HB3 2.560 . 2.700 2.421 2.356 2.513 . 0 0 "[ . 1 . ]" 1
141 1 17 CYS HA 1 18 SER H 2.600 . 2.700 2.588 2.398 2.704 0.004 2 0 "[ . 1 . ]" 1
142 1 17 CYS HB2 1 18 SER H 3.300 . 3.500 3.143 2.801 3.501 0.001 13 0 "[ . 1 . ]" 1
143 1 17 CYS HB3 1 18 SER H 2.950 . 3.500 2.151 1.984 2.531 . 0 0 "[ . 1 . ]" 1
144 1 17 CYS HB3 1 21 GLU HB2 3.550 . 5.000 4.216 3.619 4.694 . 0 0 "[ . 1 . ]" 1
145 1 17 CYS HB3 1 21 GLU HB3 3.190 . 3.500 3.231 2.730 3.509 0.009 6 0 "[ . 1 . ]" 1
146 1 18 SER H 1 18 SER HB2 3.410 . 3.490 3.084 2.166 3.487 . 0 0 "[ . 1 . ]" 1
147 1 18 SER H 1 18 SER HB3 3.280 . 3.500 3.216 2.685 3.499 . 0 0 "[ . 1 . ]" 1
148 1 18 SER H 1 19 GLY H 4.200 . 5.000 4.239 3.313 4.622 . 0 0 "[ . 1 . ]" 1
149 1 18 SER HA 1 18 SER QB 2.390 . 3.700 2.438 2.167 2.538 . 0 0 "[ . 1 . ]" 1
150 1 18 SER HA 1 19 GLY H 2.610 . 2.700 2.339 2.147 2.652 . 0 0 "[ . 1 . ]" 1
151 1 18 SER HB2 1 19 GLY H 3.770 . 5.000 3.997 2.862 4.665 . 0 0 "[ . 1 . ]" 1
152 1 18 SER HB3 1 19 GLY H 3.740 . 5.000 3.497 2.174 4.314 . 0 0 "[ . 1 . ]" 1
153 1 19 GLY H 1 19 GLY HA2 2.610 . 2.700 2.528 2.303 2.758 0.058 12 0 "[ . 1 . ]" 1
154 1 19 GLY H 1 19 GLY HA3 3.000 . 3.500 2.735 2.288 2.956 . 0 0 "[ . 1 . ]" 1
155 1 19 GLY H 1 20 GLY H 3.700 . 5.000 3.659 2.373 4.613 . 0 0 "[ . 1 . ]" 1
156 1 20 GLY H 1 20 GLY HA2 2.550 . 2.700 2.627 2.294 2.782 0.082 1 0 "[ . 1 . ]" 1
157 1 20 GLY H 1 20 GLY HA3 2.590 . 2.700 2.557 2.285 2.811 0.111 12 0 "[ . 1 . ]" 1
158 1 20 GLY H 1 21 GLU H 2.970 . 3.500 2.656 1.990 3.168 . 0 0 "[ . 1 . ]" 1
159 1 20 GLY HA2 1 21 GLU H 3.320 . 3.500 3.195 2.488 3.519 0.019 8 0 "[ . 1 . ]" 1
160 1 20 GLY HA3 1 21 GLU H 3.620 . 5.000 3.182 2.864 3.569 . 0 0 "[ . 1 . ]" 1
161 1 21 GLU H 1 21 GLU HB2 2.760 . 3.500 2.657 2.227 3.167 . 0 0 "[ . 1 . ]" 1
162 1 21 GLU H 1 21 GLU HB3 2.880 . 3.500 2.946 2.647 3.232 . 0 0 "[ . 1 . ]" 1
163 1 21 GLU H 1 21 GLU HG2 3.890 . 5.000 4.789 4.546 4.984 . 0 0 "[ . 1 . ]" 1
164 1 21 GLU H 1 21 GLU HG3 3.940 . 5.000 4.474 4.199 4.955 . 0 0 "[ . 1 . ]" 1
165 1 21 GLU HA 1 21 GLU HB2 2.670 . 2.700 2.655 2.435 2.709 0.009 6 0 "[ . 1 . ]" 1
166 1 21 GLU HA 1 21 GLU HB3 2.720 . 3.500 2.979 2.956 3.024 . 0 0 "[ . 1 . ]" 1
167 1 21 GLU HA 1 21 GLU HG2 3.140 . 3.500 3.282 2.458 3.500 0.000 13 0 "[ . 1 . ]" 1
168 1 21 GLU HA 1 21 GLU HG3 2.860 . 3.500 2.218 2.083 3.498 . 0 0 "[ . 1 . ]" 1
169 1 21 GLU HA 1 22 ASN H 2.400 . 2.700 2.186 2.138 2.535 . 0 0 "[ . 1 . ]" 1
170 1 21 GLU HB3 1 21 GLU HG2 2.750 . 3.500 2.269 2.207 2.941 . 0 0 "[ . 1 . ]" 1
171 1 21 GLU HB3 1 22 ASN H 3.780 . 5.000 4.032 2.842 4.285 . 0 0 "[ . 1 . ]" 1
172 1 21 GLU HB3 1 23 ASN H 3.920 . 5.000 4.225 3.562 4.943 . 0 0 "[ . 1 . ]" 1
173 1 21 GLU HG3 1 22 ASN H 3.880 . 5.000 3.291 2.094 3.898 . 0 0 "[ . 1 . ]" 1
174 1 21 GLU HG3 1 23 ASN H 3.330 . 3.500 3.267 2.925 3.508 0.008 7 0 "[ . 1 . ]" 1
175 1 22 ASN H 1 22 ASN HA 2.740 . 3.500 2.935 2.875 2.947 . 0 0 "[ . 1 . ]" 1
176 1 22 ASN H 1 22 ASN QB 3.110 . 4.500 2.561 2.276 3.194 . 0 0 "[ . 1 . ]" 1
177 1 22 ASN H 1 23 ASN H 2.600 . 2.700 2.325 1.922 2.708 0.008 13 0 "[ . 1 . ]" 1
178 1 22 ASN HA 1 23 ASN H 3.320 . 3.500 3.066 2.907 3.538 0.038 8 0 "[ . 1 . ]" 1
179 1 22 ASN QB 1 23 ASN HA 3.370 . 4.500 4.294 3.977 4.512 0.012 2 0 "[ . 1 . ]" 1
180 1 22 ASN QB 1 23 ASN HD21 3.580 . 6.000 4.321 2.821 5.302 . 0 0 "[ . 1 . ]" 1
181 1 22 ASN QB 1 23 ASN HD22 3.470 . 4.500 4.139 3.414 4.505 0.005 7 0 "[ . 1 . ]" 1
182 1 23 ASN H 1 23 ASN HB2 2.610 . 2.700 2.650 2.194 2.736 0.036 7 0 "[ . 1 . ]" 1
183 1 23 ASN H 1 23 ASN HB3 3.870 . 5.000 3.768 3.497 3.836 . 0 0 "[ . 1 . ]" 1
184 1 23 ASN HA 1 23 ASN HB3 2.920 . 3.500 2.517 2.410 2.666 . 0 0 "[ . 1 . ]" 1
185 1 23 ASN HA 1 23 ASN HD21 4.160 . 5.000 3.482 1.975 4.488 . 0 0 "[ . 1 . ]" 1
186 1 23 ASN HA 1 24 CYS H 2.370 . 2.700 2.256 2.167 2.528 . 0 0 "[ . 1 . ]" 1
187 1 23 ASN HA 1 56 THR HA 2.970 . 3.500 2.503 2.106 2.933 . 0 0 "[ . 1 . ]" 1
188 1 23 ASN HB2 1 23 ASN HD21 3.480 . 3.500 2.682 2.110 3.519 0.019 5 0 "[ . 1 . ]" 1
189 1 23 ASN HB2 1 24 CYS H 3.730 . 5.000 3.986 3.457 4.221 . 0 0 "[ . 1 . ]" 1
190 1 23 ASN HB3 1 24 CYS H 3.000 . 3.500 2.879 2.179 3.210 . 0 0 "[ . 1 . ]" 1
191 1 23 ASN HB3 1 55 CYS H 3.710 . 5.000 4.033 3.295 4.638 . 0 0 "[ . 1 . ]" 1
192 1 24 CYS H 1 24 CYS HB2 3.090 . 3.500 2.783 2.506 2.980 . 0 0 "[ . 1 . ]" 1
193 1 24 CYS H 1 24 CYS HB3 3.790 . 5.000 3.826 3.700 3.941 . 0 0 "[ . 1 . ]" 1
194 1 24 CYS H 1 55 CYS H 3.040 . 3.500 2.883 2.474 3.507 0.007 14 0 "[ . 1 . ]" 1
195 1 24 CYS H 1 56 THR HA 3.680 . 5.000 3.453 2.982 3.797 . 0 0 "[ . 1 . ]" 1
196 1 24 CYS H 1 56 THR HB 3.590 . 5.000 4.839 4.458 5.012 0.012 5 0 "[ . 1 . ]" 1
197 1 24 CYS HA 1 24 CYS HB3 2.860 . 3.500 2.400 2.352 2.544 . 0 0 "[ . 1 . ]" 1
198 1 24 CYS HA 1 25 TYR H 2.530 . 2.700 2.137 2.123 2.147 . 0 0 "[ . 1 . ]" 1
199 1 24 CYS HA 1 25 TYR QD 3.780 . 6.000 3.631 3.413 4.117 . 0 0 "[ . 1 . ]" 1
200 1 24 CYS HA 1 42 GLY H 2.880 . 3.500 2.868 2.319 3.322 . 0 0 "[ . 1 . ]" 1
201 1 24 CYS HB3 1 25 TYR H 3.030 . 3.500 3.522 3.497 3.538 0.038 16 0 "[ . 1 . ]" 1
202 1 24 CYS HB3 1 61 ASN HB3 3.000 . 3.500 3.465 3.215 3.510 0.010 8 0 "[ . 1 . ]" 1
203 1 24 CYS HB3 1 61 ASN HD21 4.010 . 5.000 2.440 1.964 4.049 . 0 0 "[ . 1 . ]" 1
204 1 24 CYS HB3 1 61 ASN HD22 3.790 . 5.000 2.761 2.362 3.504 . 0 0 "[ . 1 . ]" 1
205 1 25 TYR H 1 25 TYR HA 2.280 . 2.700 2.846 2.834 2.863 0.163 16 0 "[ . 1 . ]" 1
206 1 25 TYR H 1 25 TYR HB2 3.150 . 3.500 3.580 3.550 3.602 0.102 9 0 "[ . 1 . ]" 1
207 1 25 TYR H 1 25 TYR HB3 2.790 . 3.500 2.491 2.318 2.665 . 0 0 "[ . 1 . ]" 1
208 1 25 TYR H 1 25 TYR QD 2.800 . 4.500 2.105 1.941 2.516 . 0 0 "[ . 1 . ]" 1
209 1 25 TYR H 1 41 CYS HA 3.870 . 5.000 3.626 2.891 4.575 . 0 0 "[ . 1 . ]" 1
210 1 25 TYR HA 1 25 TYR HB2 2.670 . 2.700 2.367 2.308 2.430 . 0 0 "[ . 1 . ]" 1
211 1 25 TYR HA 1 25 TYR HB3 2.570 . 2.700 2.529 2.458 2.606 . 0 0 "[ . 1 . ]" 1
212 1 25 TYR HA 1 25 TYR QD 3.460 . 4.500 3.722 3.658 3.736 . 0 0 "[ . 1 . ]" 1
213 1 25 TYR HA 1 26 LYS H 2.280 . 2.700 2.313 2.138 2.529 . 0 0 "[ . 1 . ]" 1
214 1 25 TYR HA 1 54 CYS HA 2.610 . 2.700 2.040 1.878 2.419 . 0 0 "[ . 1 . ]" 1
215 1 25 TYR HA 1 55 CYS H 3.540 . 5.000 3.413 2.833 3.764 . 0 0 "[ . 1 . ]" 1
216 1 25 TYR HB2 1 25 TYR QD 2.630 . 3.700 2.364 2.331 2.447 . 0 0 "[ . 1 . ]" 1
217 1 25 TYR HB3 1 25 TYR QD 2.560 . 3.700 2.444 2.359 2.496 . 0 0 "[ . 1 . ]" 1
218 1 25 TYR QD 1 26 LYS HA 3.320 . 4.500 3.664 3.278 4.069 . 0 0 "[ . 1 . ]" 1
219 1 25 TYR QD 1 27 LYS H 3.400 . 4.500 3.097 1.988 4.339 . 0 0 "[ . 1 . ]" 1
220 1 25 TYR QD 1 27 LYS HB2 2.980 . 4.500 4.540 4.477 4.581 0.081 17 0 "[ . 1 . ]" 1
221 1 25 TYR QD 1 27 LYS QD 3.040 . 4.500 3.221 1.944 4.164 . 0 0 "[ . 1 . ]" 1
222 1 25 TYR QD 1 39 ARG HA 3.950 . 6.000 4.049 3.185 5.033 . 0 0 "[ . 1 . ]" 1
223 1 25 TYR QD 1 43 CYS HA 3.620 . 6.000 3.766 3.168 4.187 . 0 0 "[ . 1 . ]" 1
224 1 25 TYR QD 1 52 ILE MG 4.130 . 6.000 5.242 3.315 5.991 . 0 0 "[ . 1 . ]" 1
225 1 25 TYR QE 1 27 LYS HB2 3.530 . 6.000 4.660 4.008 5.149 . 0 0 "[ . 1 . ]" 1
226 1 25 TYR QE 1 27 LYS HB3 3.400 . 4.500 4.096 2.887 4.509 0.009 18 0 "[ . 1 . ]" 1
227 1 25 TYR QE 1 27 LYS QD 3.190 . 4.500 2.173 1.821 3.169 . 0 0 "[ . 1 . ]" 1
228 1 25 TYR QE 1 27 LYS HE2 2.960 . 4.500 3.581 2.073 4.522 0.022 5 0 "[ . 1 . ]" 1
229 1 26 LYS H 1 26 LYS HB2 3.450 . 3.490 3.087 2.742 3.375 . 0 0 "[ . 1 . ]" 1
230 1 26 LYS H 1 26 LYS HB3 3.040 . 3.500 2.903 2.662 3.256 . 0 0 "[ . 1 . ]" 1
231 1 26 LYS H 1 53 ASN H 3.580 . 5.000 3.711 2.369 5.063 0.063 8 0 "[ . 1 . ]" 1
232 1 26 LYS HA 1 26 LYS QG 3.150 . 4.500 2.321 2.155 2.474 . 0 0 "[ . 1 . ]" 1
233 1 26 LYS HA 1 27 LYS H 2.420 . 2.700 2.241 2.164 2.424 . 0 0 "[ . 1 . ]" 1
234 1 26 LYS HA 1 39 ARG HA 2.670 . 2.700 2.615 2.272 2.718 0.018 15 0 "[ . 1 . ]" 1
235 1 26 LYS HA 1 61 ASN HD21 4.650 . 5.000 4.792 4.295 5.008 0.008 11 0 "[ . 1 . ]" 1
236 1 26 LYS HB2 1 26 LYS QD 2.710 . 4.500 2.587 1.939 3.358 . 0 0 "[ . 1 . ]" 1
237 1 26 LYS HB2 1 26 LYS QE 2.520 . 3.700 3.104 2.148 3.651 . 0 0 "[ . 1 . ]" 1
238 1 26 LYS HB2 1 26 LYS QG 2.610 . 3.700 2.325 2.134 2.527 . 0 0 "[ . 1 . ]" 1
239 1 26 LYS HB3 1 26 LYS QE 3.430 . 4.500 3.051 2.287 4.061 . 0 0 "[ . 1 . ]" 1
240 1 27 LYS H 1 27 LYS HB2 3.410 . 3.490 3.594 3.543 3.702 0.212 8 0 "[ . 1 . ]" 1
241 1 27 LYS H 1 27 LYS HB3 3.230 . 3.500 3.176 2.612 3.537 0.037 18 0 "[ . 1 . ]" 1
242 1 27 LYS H 1 37 THR MG 3.900 . 6.000 4.911 3.408 6.013 0.013 14 0 "[ . 1 . ]" 1
243 1 27 LYS H 1 38 GLU H 3.350 . 3.500 3.512 3.439 3.555 0.055 11 0 "[ . 1 . ]" 1
244 1 27 LYS HA 1 27 LYS QD 3.450 . 4.500 4.356 4.155 4.505 0.005 12 0 "[ . 1 . ]" 1
245 1 27 LYS HA 1 28 GLU H 2.350 . 2.700 2.165 2.128 2.354 . 0 0 "[ . 1 . ]" 1
246 1 27 LYS HA 1 53 ASN H 3.510 . 5.000 4.315 3.313 5.076 0.076 12 0 "[ . 1 . ]" 1
247 1 27 LYS QD 1 28 GLU H 3.930 . 6.000 5.405 4.823 5.755 . 0 0 "[ . 1 . ]" 1
248 1 27 LYS QD 1 29 TRP HE3 3.650 . 6.000 5.151 3.958 6.015 0.015 15 0 "[ . 1 . ]" 1
249 1 27 LYS QG 1 29 TRP HE3 3.250 . 4.500 4.232 3.252 4.524 0.024 12 0 "[ . 1 . ]" 1
250 1 28 GLU H 1 28 GLU HB2 3.290 . 3.500 3.565 3.527 3.644 0.144 17 0 "[ . 1 . ]" 1
251 1 28 GLU H 1 28 GLU HB3 3.070 . 3.500 3.398 3.059 3.564 0.064 14 0 "[ . 1 . ]" 1
252 1 28 GLU H 1 29 TRP HE3 4.130 . 5.000 4.280 3.764 5.007 0.007 18 0 "[ . 1 . ]" 1
253 1 28 GLU H 1 50 ILE MG 3.710 . 6.000 3.187 1.894 5.818 . 0 0 "[ . 1 . ]" 1
254 1 28 GLU H 1 51 GLY H 3.370 . 3.500 3.201 2.680 3.515 0.015 13 0 "[ . 1 . ]" 1
255 1 28 GLU HA 1 28 GLU HB2 2.690 . 2.700 2.658 2.501 2.723 0.023 14 0 "[ . 1 . ]" 1
256 1 28 GLU HA 1 29 TRP H 2.360 . 2.700 2.218 2.149 2.443 . 0 0 "[ . 1 . ]" 1
257 1 28 GLU HA 1 29 TRP HE3 3.050 . 3.500 2.357 2.019 2.915 . 0 0 "[ . 1 . ]" 1
258 1 28 GLU HA 1 37 THR HA 2.770 . 3.500 2.110 1.952 2.298 . 0 0 "[ . 1 . ]" 1
259 1 28 GLU HA 1 38 GLU H 4.010 . 5.000 3.566 2.877 3.875 . 0 0 "[ . 1 . ]" 1
260 1 28 GLU HB2 1 28 GLU HG2 2.720 . 3.500 2.925 2.568 3.008 . 0 0 "[ . 1 . ]" 1
261 1 28 GLU HB2 1 28 GLU HG3 2.750 . 3.500 2.562 2.267 2.991 . 0 0 "[ . 1 . ]" 1
262 1 28 GLU HB2 1 29 TRP H 3.190 . 3.500 3.145 2.429 3.514 0.014 18 0 "[ . 1 . ]" 1
263 1 29 TRP H 1 29 TRP HB3 4.000 . 5.000 3.170 2.786 3.469 . 0 0 "[ . 1 . ]" 1
264 1 29 TRP H 1 29 TRP HE3 2.980 . 3.500 2.045 1.892 2.940 . 0 0 "[ . 1 . ]" 1
265 1 29 TRP HA 1 29 TRP HD1 4.140 . 5.000 4.539 4.379 4.616 . 0 0 "[ . 1 . ]" 1
266 1 29 TRP HA 1 29 TRP HE3 3.930 . 5.000 4.077 3.946 4.296 . 0 0 "[ . 1 . ]" 1
267 1 29 TRP HA 1 30 ARG H 2.510 . 2.700 2.217 2.129 2.434 . 0 0 "[ . 1 . ]" 1
268 1 29 TRP HA 1 50 ILE HA 3.330 . 3.500 3.373 2.990 3.934 0.434 5 0 "[ . 1 . ]" 1
269 1 29 TRP HA 1 50 ILE MD 2.690 . 3.700 3.346 2.396 3.724 0.024 2 0 "[ . 1 . ]" 1
270 1 29 TRP HA 1 50 ILE MG 3.620 . 6.000 2.783 1.753 3.921 0.047 5 0 "[ . 1 . ]" 1
271 1 29 TRP HB2 1 29 TRP HD1 2.950 . 3.500 2.506 2.501 2.525 . 0 0 "[ . 1 . ]" 1
272 1 29 TRP HB2 1 29 TRP HE3 3.520 . 5.000 4.233 4.201 4.245 . 0 0 "[ . 1 . ]" 1
273 1 29 TRP HB2 1 30 ARG H 2.850 . 3.500 3.060 2.410 3.499 . 0 0 "[ . 1 . ]" 1
274 1 29 TRP HB2 1 50 ILE MD 3.950 . 6.000 2.704 1.956 5.181 . 0 0 "[ . 1 . ]" 1
275 1 29 TRP HB2 1 50 ILE HG12 3.880 . 5.000 3.589 2.010 5.019 0.019 15 0 "[ . 1 . ]" 1
276 1 29 TRP HB2 1 50 ILE MG 3.400 . 4.500 3.224 1.799 4.652 0.152 6 0 "[ . 1 . ]" 1
277 1 29 TRP HB3 1 29 TRP HD1 3.300 . 3.500 3.619 3.589 3.670 0.170 14 0 "[ . 1 . ]" 1
278 1 29 TRP HB3 1 29 TRP HE3 3.120 . 3.500 2.888 2.761 2.954 . 0 0 "[ . 1 . ]" 1
279 1 29 TRP HB3 1 30 ARG H 3.510 . 5.000 4.167 3.828 4.412 . 0 0 "[ . 1 . ]" 1
280 1 29 TRP HB3 1 50 ILE MD 3.710 . 6.000 2.625 1.835 5.384 . 0 0 "[ . 1 . ]" 1
281 1 29 TRP HB3 1 50 ILE MG 3.100 . 4.500 2.392 1.807 4.116 . 0 0 "[ . 1 . ]" 1
282 1 29 TRP HD1 1 30 ARG H 3.890 . 5.000 4.410 3.589 5.003 0.003 13 0 "[ . 1 . ]" 1
283 1 29 TRP HD1 1 31 ASP HB3 4.100 . 5.000 4.136 3.141 4.683 . 0 0 "[ . 1 . ]" 1
284 1 29 TRP HE3 1 50 ILE MG 3.290 . 4.500 3.772 3.015 4.536 0.036 14 0 "[ . 1 . ]" 1
285 1 29 TRP HH2 1 38 GLU HB3 2.990 . 3.500 3.498 3.392 3.530 0.030 6 0 "[ . 1 . ]" 1
286 1 29 TRP HH2 1 38 GLU QG 3.630 . 6.000 2.848 1.949 4.155 . 0 0 "[ . 1 . ]" 1
287 1 29 TRP HZ2 1 36 ARG HB2 4.140 . 5.000 3.147 2.774 3.818 . 0 0 "[ . 1 . ]" 1
288 1 29 TRP HZ2 1 36 ARG HB3 4.040 . 5.000 3.679 2.825 4.944 . 0 0 "[ . 1 . ]" 1
289 1 29 TRP HZ2 1 36 ARG HD3 3.630 . 5.000 3.683 2.231 5.004 0.004 3 0 "[ . 1 . ]" 1
290 1 29 TRP HZ2 1 36 ARG QG 3.790 . 6.000 4.275 3.351 5.465 . 0 0 "[ . 1 . ]" 1
291 1 29 TRP HZ3 1 38 GLU H 3.600 . 5.000 2.247 1.989 3.097 . 0 0 "[ . 1 . ]" 1
292 1 30 ARG H 1 30 ARG HB2 2.910 . 3.500 3.553 3.498 3.593 0.093 10 0 "[ . 1 . ]" 1
293 1 30 ARG H 1 30 ARG HB3 3.030 . 3.500 3.181 2.908 3.479 . 0 0 "[ . 1 . ]" 1
294 1 30 ARG HA 1 30 ARG HB3 2.630 . 2.700 2.307 2.254 2.348 . 0 0 "[ . 1 . ]" 1
295 1 30 ARG HA 1 31 ASP H 2.410 . 2.700 2.398 2.235 2.503 . 0 0 "[ . 1 . ]" 1
296 1 30 ARG HA 1 35 TYR HA 2.360 . 2.700 2.104 1.913 2.494 . 0 0 "[ . 1 . ]" 1
297 1 30 ARG HA 1 36 ARG H 3.300 . 3.500 3.346 2.789 3.527 0.027 14 0 "[ . 1 . ]" 1
298 1 30 ARG HB2 1 31 ASP H 4.090 . 5.000 2.481 2.192 2.972 . 0 0 "[ . 1 . ]" 1
299 1 30 ARG HB2 1 35 TYR QE 3.810 . 6.000 5.991 5.769 6.011 0.011 14 0 "[ . 1 . ]" 1
300 1 30 ARG HB3 1 31 ASP H 3.340 . 3.500 3.497 3.447 3.523 0.023 15 0 "[ . 1 . ]" 1
301 1 31 ASP H 1 31 ASP HB3 3.880 . 5.000 3.390 3.045 3.559 . 0 0 "[ . 1 . ]" 1
302 1 31 ASP H 1 34 GLY H 3.580 . 5.000 4.172 2.998 4.999 . 0 0 "[ . 1 . ]" 1
303 1 31 ASP H 1 35 TYR HA 3.490 . 3.490 3.211 2.969 3.484 . 0 0 "[ . 1 . ]" 1
304 1 31 ASP HA 1 31 ASP HB2 2.550 . 2.700 2.523 2.460 2.686 . 0 0 "[ . 1 . ]" 1
305 1 31 ASP HA 1 31 ASP HB3 2.620 . 2.700 2.396 2.280 2.452 . 0 0 "[ . 1 . ]" 1
306 1 33 ARG H 1 33 ARG HB2 3.300 . 3.500 3.551 3.498 3.637 0.137 11 0 "[ . 1 . ]" 1
307 1 33 ARG H 1 34 GLY H 3.010 . 3.500 2.593 2.016 3.161 . 0 0 "[ . 1 . ]" 1
308 1 33 ARG HA 1 33 ARG HB2 2.890 . 3.500 2.612 2.253 2.733 . 0 0 "[ . 1 . ]" 1
309 1 33 ARG HA 1 33 ARG HB3 2.580 . 2.700 2.323 2.250 2.647 . 0 0 "[ . 1 . ]" 1
310 1 33 ARG HA 1 33 ARG HG2 2.990 . 3.500 3.523 3.422 3.566 0.066 11 0 "[ . 1 . ]" 1
311 1 33 ARG HB2 1 33 ARG HG2 2.910 . 3.500 2.891 2.683 3.011 . 0 0 "[ . 1 . ]" 1
312 1 34 GLY H 1 34 GLY HA3 2.860 . 3.500 2.485 2.315 2.707 . 0 0 "[ . 1 . ]" 1
313 1 34 GLY HA2 1 35 TYR H 3.000 . 3.500 2.666 2.384 3.031 . 0 0 "[ . 1 . ]" 1
314 1 34 GLY HA3 1 35 TYR H 2.680 . 2.700 2.475 2.198 2.732 0.032 11 0 "[ . 1 . ]" 1
315 1 35 TYR H 1 35 TYR QB 2.650 . 3.700 3.261 3.130 3.365 . 0 0 "[ . 1 . ]" 1
316 1 35 TYR H 1 35 TYR QD 3.340 . 4.500 3.146 2.647 3.399 . 0 0 "[ . 1 . ]" 1
317 1 35 TYR HA 1 35 TYR QB 2.430 . 3.700 2.173 2.159 2.185 . 0 0 "[ . 1 . ]" 1
318 1 35 TYR HA 1 35 TYR QD 3.060 . 4.500 3.694 3.546 3.737 . 0 0 "[ . 1 . ]" 1
319 1 35 TYR HA 1 36 ARG H 2.340 . 2.700 2.347 2.163 2.561 . 0 0 "[ . 1 . ]" 1
320 1 35 TYR QB 1 35 TYR QD 2.450 . 3.700 2.140 2.135 2.151 . 0 0 "[ . 1 . ]" 1
321 1 35 TYR QB 1 35 TYR QE 3.800 . 6.000 3.939 3.934 3.947 . 0 0 "[ . 1 . ]" 1
322 1 35 TYR QB 1 36 ARG H 3.100 . 4.500 2.551 2.073 3.070 . 0 0 "[ . 1 . ]" 1
323 1 35 TYR QD 1 36 ARG H 3.790 . 6.000 3.874 3.055 4.727 . 0 0 "[ . 1 . ]" 1
324 1 36 ARG H 1 36 ARG HB2 3.030 . 3.500 2.633 2.432 2.912 . 0 0 "[ . 1 . ]" 1
325 1 36 ARG H 1 36 ARG HB3 3.500 . 5.000 3.696 3.334 3.915 . 0 0 "[ . 1 . ]" 1
326 1 36 ARG H 1 36 ARG QG 3.350 . 4.500 3.320 2.432 3.977 . 0 0 "[ . 1 . ]" 1
327 1 36 ARG HA 1 36 ARG HB2 2.810 . 4.500 2.990 2.857 3.026 . 0 0 "[ . 1 . ]" 1
328 1 36 ARG HA 1 36 ARG QG 2.800 . 4.500 2.337 2.028 2.563 . 0 0 "[ . 1 . ]" 1
329 1 36 ARG HA 1 37 THR H 2.350 . 2.700 2.483 2.156 2.637 . 0 0 "[ . 1 . ]" 1
330 1 36 ARG HB2 1 36 ARG HE 4.110 . 5.000 3.951 2.288 4.992 . 0 0 "[ . 1 . ]" 1
331 1 36 ARG HB2 1 37 THR H 3.740 . 5.000 3.613 3.164 4.277 . 0 0 "[ . 1 . ]" 1
332 1 36 ARG HB3 1 36 ARG HE 3.540 . 5.000 4.127 2.397 5.014 0.014 2 0 "[ . 1 . ]" 1
333 1 36 ARG HB3 1 36 ARG QG 2.670 . 3.700 2.250 2.131 2.507 . 0 0 "[ . 1 . ]" 1
334 1 36 ARG HB3 1 37 THR H 3.450 . 3.490 2.364 2.038 3.318 . 0 0 "[ . 1 . ]" 1
335 1 36 ARG HE 1 36 ARG QG 3.550 . 6.000 2.608 2.096 3.137 . 0 0 "[ . 1 . ]" 1
336 1 36 ARG QG 1 37 THR H 3.920 . 6.000 3.540 2.589 4.160 . 0 0 "[ . 1 . ]" 1
337 1 37 THR H 1 37 THR MG 4.130 . 6.000 2.997 2.268 4.050 . 0 0 "[ . 1 . ]" 1
338 1 37 THR HA 1 37 THR MG 3.060 . 4.500 2.767 2.024 3.227 . 0 0 "[ . 1 . ]" 1
339 1 37 THR HA 1 38 GLU H 2.430 . 2.700 2.166 2.146 2.218 . 0 0 "[ . 1 . ]" 1
340 1 37 THR MG 1 38 GLU H 3.010 . 4.500 3.671 2.643 4.256 . 0 0 "[ . 1 . ]" 1
341 1 38 GLU H 1 38 GLU HB2 3.430 . 3.490 3.546 3.521 3.580 0.090 7 0 "[ . 1 . ]" 1
342 1 38 GLU H 1 38 GLU HB3 3.190 . 3.500 3.391 3.126 3.543 0.043 16 0 "[ . 1 . ]" 1
343 1 38 GLU HA 1 38 GLU HB2 2.810 . 3.500 2.671 2.620 2.720 . 0 0 "[ . 1 . ]" 1
344 1 38 GLU HA 1 38 GLU HB3 2.450 . 2.700 2.273 2.244 2.296 . 0 0 "[ . 1 . ]" 1
345 1 38 GLU HA 1 39 ARG H 2.380 . 2.700 2.314 2.222 2.544 . 0 0 "[ . 1 . ]" 1
346 1 38 GLU HB2 1 39 ARG H 3.730 . 5.000 2.717 2.161 2.994 . 0 0 "[ . 1 . ]" 1
347 1 38 GLU HB3 1 38 GLU QG 2.140 . 3.700 2.347 2.201 2.495 . 0 0 "[ . 1 . ]" 1
348 1 38 GLU HB3 1 39 ARG H 3.130 . 3.500 3.496 3.325 3.542 0.042 18 0 "[ . 1 . ]" 1
349 1 38 GLU QG 1 39 ARG H 3.500 . 6.000 4.241 3.821 4.450 . 0 0 "[ . 1 . ]" 1
350 1 39 ARG H 1 39 ARG QB 2.980 . 4.500 2.841 2.512 3.287 . 0 0 "[ . 1 . ]" 1
351 1 39 ARG H 1 39 ARG QG 3.110 . 4.500 2.862 1.978 3.897 . 0 0 "[ . 1 . ]" 1
352 1 39 ARG HA 1 39 ARG QB 2.170 . 3.700 2.284 2.159 2.469 . 0 0 "[ . 1 . ]" 1
353 1 39 ARG HA 1 39 ARG QG 2.430 . 3.700 2.759 2.187 3.435 . 0 0 "[ . 1 . ]" 1
354 1 39 ARG HA 1 40 GLY H 2.550 . 3.500 2.595 2.146 2.835 . 0 0 "[ . 1 . ]" 1
355 1 39 ARG QB 1 39 ARG QG 2.050 . 3.700 2.028 1.998 2.078 . 0 0 "[ . 1 . ]" 1
356 1 39 ARG QB 1 61 ASN HD22 4.210 . 6.000 2.714 2.357 3.225 . 0 0 "[ . 1 . ]" 1
357 1 39 ARG QG 1 40 GLY H 3.150 . 4.500 3.820 3.100 4.325 . 0 0 "[ . 1 . ]" 1
358 1 39 ARG QG 1 61 ASN HD21 2.890 . 4.500 3.293 2.160 4.320 . 0 0 "[ . 1 . ]" 1
359 1 39 ARG QG 1 61 ASN HD22 2.860 . 4.500 3.881 2.858 4.518 0.018 9 0 "[ . 1 . ]" 1
360 1 40 GLY H 1 61 ASN HD21 2.920 . 3.500 2.634 2.172 3.502 0.002 11 0 "[ . 1 . ]" 1
361 1 40 GLY H 1 61 ASN HD22 3.290 . 3.500 3.287 2.903 3.517 0.017 11 0 "[ . 1 . ]" 1
362 1 40 GLY HA2 1 41 CYS H 2.970 . 3.500 2.639 2.427 2.969 . 0 0 "[ . 1 . ]" 1
363 1 40 GLY HA3 1 41 CYS H 2.580 . 2.700 2.511 2.239 2.710 0.010 18 0 "[ . 1 . ]" 1
364 1 41 CYS H 1 41 CYS HB2 2.690 . 2.700 2.295 2.120 2.638 . 0 0 "[ . 1 . ]" 1
365 1 41 CYS H 1 41 CYS HB3 3.480 . 3.500 3.479 3.330 3.586 0.086 9 0 "[ . 1 . ]" 1
366 1 41 CYS HA 1 41 CYS HB2 2.880 . 3.500 2.959 2.877 3.019 . 0 0 "[ . 1 . ]" 1
367 1 41 CYS HA 1 41 CYS HB3 2.660 . 2.800 2.683 2.371 2.819 0.019 6 0 "[ . 1 . ]" 1
368 1 41 CYS HA 1 42 GLY H 2.480 . 2.700 2.193 2.137 2.349 . 0 0 "[ . 1 . ]" 1
369 1 41 CYS HB2 1 42 GLY H 4.000 . 5.000 4.326 4.052 4.465 . 0 0 "[ . 1 . ]" 1
370 1 41 CYS HB3 1 42 GLY H 3.390 . 3.500 3.296 2.742 3.509 0.009 11 0 "[ . 1 . ]" 1
371 1 42 GLY H 1 42 GLY HA3 2.740 . 3.500 2.938 2.873 2.957 . 0 0 "[ . 1 . ]" 1
372 1 42 GLY HA2 1 43 CYS H 2.610 . 2.700 2.491 2.141 2.756 0.056 18 0 "[ . 1 . ]" 1
373 1 42 GLY HA3 1 43 CYS H 2.730 . 3.500 2.719 2.350 3.412 . 0 0 "[ . 1 . ]" 1
374 1 43 CYS H 1 43 CYS HB2 3.030 . 3.500 3.133 2.627 3.505 0.005 12 0 "[ . 1 . ]" 1
375 1 43 CYS H 1 43 CYS HB3 3.610 . 5.000 2.983 2.531 3.250 . 0 0 "[ . 1 . ]" 1
376 1 43 CYS HA 1 43 CYS HB2 2.390 . 2.700 2.540 2.455 2.621 . 0 0 "[ . 1 . ]" 1
377 1 44 PRO HA 1 44 PRO HB3 2.420 . 2.700 2.302 2.289 2.318 . 0 0 "[ . 1 . ]" 1
378 1 44 PRO HA 1 45 SER H 2.440 . 2.700 2.560 2.264 2.703 0.003 2 0 "[ . 1 . ]" 1
379 1 44 PRO HB2 1 45 SER H 3.240 . 3.500 2.450 1.963 3.099 . 0 0 "[ . 1 . ]" 1
380 1 44 PRO HB3 1 45 SER H 3.530 . 5.000 3.088 2.441 3.670 . 0 0 "[ . 1 . ]" 1
381 1 45 SER H 1 45 SER QB 2.710 . 4.500 2.866 2.328 3.438 . 0 0 "[ . 1 . ]" 1
382 1 45 SER HA 1 46 VAL H 2.300 . 2.700 2.479 2.156 2.716 0.016 18 0 "[ . 1 . ]" 1
383 1 45 SER QB 1 46 VAL H 3.230 . 4.500 3.601 2.004 4.044 . 0 0 "[ . 1 . ]" 1
384 1 46 VAL H 1 46 VAL HB 3.370 . 3.500 3.325 2.626 3.580 0.080 15 0 "[ . 1 . ]" 1
385 1 46 VAL H 1 46 VAL MG1 3.610 . 6.000 2.929 2.522 3.952 . 0 0 "[ . 1 . ]" 1
386 1 46 VAL H 1 46 VAL MG2 2.780 . 4.500 2.456 1.895 4.050 . 0 0 "[ . 1 . ]" 1
387 1 46 VAL HA 1 46 VAL HB 2.540 . 2.700 2.635 2.537 2.934 0.234 10 0 "[ . 1 . ]" 1
388 1 46 VAL HA 1 46 VAL MG1 2.580 . 3.700 2.397 1.968 3.169 . 0 0 "[ . 1 . ]" 1
389 1 46 VAL HA 1 46 VAL MG2 2.690 . 3.700 2.845 1.997 3.193 . 0 0 "[ . 1 . ]" 1
390 1 46 VAL HA 1 47 LYS H 2.370 . 2.700 2.557 2.167 2.968 0.268 13 0 "[ . 1 . ]" 1
391 1 46 VAL HB 1 47 LYS H 2.830 . 3.500 2.808 1.991 3.708 0.208 10 0 "[ . 1 . ]" 1
392 1 46 VAL MG1 1 47 LYS H 4.060 . 6.000 3.146 2.017 4.137 . 0 0 "[ . 1 . ]" 1
393 1 47 LYS H 1 47 LYS QB 3.090 . 4.500 2.991 2.602 3.302 . 0 0 "[ . 1 . ]" 1
394 1 47 LYS QB 1 47 LYS QE 2.930 . 4.500 3.290 2.019 3.650 . 0 0 "[ . 1 . ]" 1
395 1 48 LYS H 1 48 LYS QB 2.780 . 4.500 2.692 2.068 3.415 . 0 0 "[ . 1 . ]" 1
396 1 48 LYS QB 1 49 GLY H 3.710 . 6.000 2.970 1.952 3.994 . 0 0 "[ . 1 . ]" 1
397 1 49 GLY H 1 49 GLY HA2 2.740 . 3.500 2.657 2.346 2.943 . 0 0 "[ . 1 . ]" 1
398 1 49 GLY H 1 50 ILE H 2.870 . 3.500 3.183 2.681 3.510 0.010 12 0 "[ . 1 . ]" 1
399 1 49 GLY HA2 1 50 ILE H 3.670 . 5.000 3.410 2.457 3.570 . 0 0 "[ . 1 . ]" 1
400 1 50 ILE H 1 50 ILE HB 2.650 . 2.700 2.578 2.078 2.821 0.121 14 0 "[ . 1 . ]" 1
401 1 50 ILE H 1 50 ILE MD 3.530 . 6.000 3.363 2.211 4.404 . 0 0 "[ . 1 . ]" 1
402 1 50 ILE H 1 50 ILE HG12 3.390 . 3.500 2.852 1.994 3.524 0.024 14 0 "[ . 1 . ]" 1
403 1 50 ILE H 1 50 ILE HG13 2.900 . 3.500 2.696 1.974 3.550 0.050 12 0 "[ . 1 . ]" 1
404 1 50 ILE H 1 50 ILE MG 3.130 . 4.500 3.751 3.443 3.845 . 0 0 "[ . 1 . ]" 1
405 1 50 ILE HA 1 50 ILE HB 2.800 . 3.500 3.001 2.866 3.023 . 0 0 "[ . 1 . ]" 1
406 1 50 ILE HA 1 50 ILE MD 3.230 . 4.500 3.144 1.930 3.850 . 0 0 "[ . 1 . ]" 1
407 1 50 ILE HA 1 50 ILE HG12 2.940 . 3.500 2.756 1.969 3.534 0.034 14 0 "[ . 1 . ]" 1
408 1 50 ILE HA 1 50 ILE HG13 3.100 . 3.500 3.324 2.753 3.632 0.132 15 0 "[ . 1 . ]" 1
409 1 50 ILE HA 1 50 ILE MG 2.600 . 3.700 2.376 2.088 2.876 . 0 0 "[ . 1 . ]" 1
410 1 50 ILE HA 1 51 GLY H 2.440 . 3.700 2.447 2.164 3.563 . 0 0 "[ . 1 . ]" 1
411 1 50 ILE HB 1 50 ILE MD 3.410 . 4.500 2.710 2.016 3.219 . 0 0 "[ . 1 . ]" 1
412 1 50 ILE HB 1 50 ILE MG 2.450 . 3.700 2.114 2.089 2.131 . 0 0 "[ . 1 . ]" 1
413 1 50 ILE HB 1 51 GLY H 3.980 . 5.000 3.762 2.257 4.447 . 0 0 "[ . 1 . ]" 1
414 1 50 ILE MD 1 50 ILE MG 3.080 . 4.500 2.068 1.796 3.001 0.004 6 0 "[ . 1 . ]" 1
415 1 50 ILE MG 1 51 GLY H 2.950 . 4.500 2.423 1.915 4.093 . 0 0 "[ . 1 . ]" 1
416 1 51 GLY HA2 1 52 ILE H 2.350 . 2.700 2.388 2.149 2.782 0.082 12 0 "[ . 1 . ]" 1
417 1 52 ILE H 1 52 ILE HA 2.980 . 3.500 2.704 2.262 2.948 . 0 0 "[ . 1 . ]" 1
418 1 52 ILE H 1 52 ILE HB 3.210 . 3.500 3.103 2.778 3.436 . 0 0 "[ . 1 . ]" 1
419 1 52 ILE H 1 52 ILE MG 2.970 . 4.500 2.770 1.953 3.708 . 0 0 "[ . 1 . ]" 1
420 1 52 ILE HA 1 52 ILE MD 3.140 . 4.500 3.329 2.042 3.714 . 0 0 "[ . 1 . ]" 1
421 1 52 ILE HA 1 52 ILE HG12 3.250 . 3.500 3.272 2.056 3.535 0.035 14 0 "[ . 1 . ]" 1
422 1 52 ILE HA 1 52 ILE HG13 3.750 . 5.000 2.295 1.986 3.050 . 0 0 "[ . 1 . ]" 1
423 1 52 ILE HA 1 52 ILE MG 3.480 . 4.500 3.184 3.128 3.206 . 0 0 "[ . 1 . ]" 1
424 1 52 ILE HA 1 53 ASN H 2.300 . 2.700 2.403 2.133 2.804 0.104 8 0 "[ . 1 . ]" 1
425 1 52 ILE HB 1 52 ILE MD 3.220 . 4.500 2.232 2.026 3.023 . 0 0 "[ . 1 . ]" 1
426 1 52 ILE MD 1 52 ILE MG 2.900 . 4.500 2.497 1.730 3.255 0.070 16 0 "[ . 1 . ]" 1
427 1 52 ILE HG12 1 53 ASN H 3.900 . 5.000 2.846 2.070 3.896 . 0 0 "[ . 1 . ]" 1
428 1 52 ILE HG13 1 53 ASN H 3.170 . 3.500 2.438 1.790 3.399 0.010 14 0 "[ . 1 . ]" 1
429 1 52 ILE MG 1 53 ASN H 3.680 . 6.000 3.202 1.920 4.146 . 0 0 "[ . 1 . ]" 1
430 1 53 ASN H 1 53 ASN HB3 3.460 . 3.500 3.238 2.670 3.540 0.040 9 0 "[ . 1 . ]" 1
431 1 53 ASN HA 1 53 ASN HB2 2.740 . 3.500 2.575 2.406 2.987 . 0 0 "[ . 1 . ]" 1
432 1 53 ASN HA 1 53 ASN HB3 2.750 . 3.500 2.550 2.373 2.938 . 0 0 "[ . 1 . ]" 1
433 1 53 ASN HA 1 54 CYS H 2.310 . 2.700 2.507 2.142 2.798 0.098 15 0 "[ . 1 . ]" 1
434 1 53 ASN HB2 1 54 CYS H 3.080 . 3.500 2.827 1.837 3.528 0.028 9 0 "[ . 1 . ]" 1
435 1 54 CYS H 1 54 CYS HB2 2.880 . 3.500 2.730 2.396 3.039 . 0 0 "[ . 1 . ]" 1
436 1 54 CYS H 1 54 CYS HB3 3.740 . 5.000 3.754 3.609 3.945 . 0 0 "[ . 1 . ]" 1
437 1 54 CYS HA 1 54 CYS HB3 2.730 . 3.500 2.424 2.309 2.611 . 0 0 "[ . 1 . ]" 1
438 1 54 CYS HA 1 55 CYS H 2.360 . 2.700 2.354 2.138 2.708 0.008 12 0 "[ . 1 . ]" 1
439 1 54 CYS HB2 1 55 CYS H 4.000 . 5.000 3.604 2.584 4.371 . 0 0 "[ . 1 . ]" 1
440 1 54 CYS HB3 1 55 CYS H 3.120 . 3.500 2.740 2.090 3.392 . 0 0 "[ . 1 . ]" 1
441 1 55 CYS H 1 55 CYS HA 3.000 . 3.500 2.924 2.873 2.949 . 0 0 "[ . 1 . ]" 1
442 1 55 CYS H 1 55 CYS HB3 3.830 . 5.000 3.431 3.032 3.596 . 0 0 "[ . 1 . ]" 1
443 1 55 CYS HA 1 55 CYS HB2 2.920 . 3.500 2.587 2.534 2.661 . 0 0 "[ . 1 . ]" 1
444 1 55 CYS HA 1 55 CYS HB3 2.890 . 3.500 2.339 2.290 2.375 . 0 0 "[ . 1 . ]" 1
445 1 55 CYS HA 1 56 THR H 2.530 . 2.700 2.554 2.483 2.617 . 0 0 "[ . 1 . ]" 1
446 1 55 CYS HB2 1 56 THR H 2.830 . 3.500 2.126 1.997 2.264 . 0 0 "[ . 1 . ]" 1
447 1 55 CYS HB2 1 57 THR H 3.650 . 5.000 3.073 2.464 3.575 . 0 0 "[ . 1 . ]" 1
448 1 55 CYS HB3 1 56 THR H 3.080 . 3.500 3.428 3.265 3.509 0.009 12 0 "[ . 1 . ]" 1
449 1 56 THR H 1 57 THR H 2.930 . 3.500 2.821 2.249 3.126 . 0 0 "[ . 1 . ]" 1
450 1 56 THR H 1 57 THR MG 2.820 . 4.500 3.577 2.535 4.070 . 0 0 "[ . 1 . ]" 1
451 1 56 THR HA 1 57 THR H 3.290 . 3.500 2.633 2.457 2.938 . 0 0 "[ . 1 . ]" 1
452 1 57 THR H 1 57 THR HA 2.910 . 3.500 2.907 2.870 2.947 . 0 0 "[ . 1 . ]" 1
453 1 57 THR H 1 57 THR HB 3.830 . 5.000 3.651 3.514 3.744 . 0 0 "[ . 1 . ]" 1
454 1 57 THR H 1 57 THR MG 3.070 . 4.500 3.220 1.979 3.748 . 0 0 "[ . 1 . ]" 1
455 1 57 THR H 1 60 CYS HB2 3.460 . 3.500 3.484 3.350 3.511 0.011 13 0 "[ . 1 . ]" 1
456 1 57 THR H 1 60 CYS HB3 3.250 . 3.500 2.521 2.399 2.696 . 0 0 "[ . 1 . ]" 1
457 1 57 THR HA 1 57 THR HB 2.470 . 2.700 2.604 2.268 2.732 0.032 12 0 "[ . 1 . ]" 1
458 1 57 THR HA 1 58 ASP H 2.470 . 2.700 2.329 2.266 2.423 . 0 0 "[ . 1 . ]" 1
459 1 57 THR HB 1 57 THR MG 2.280 . 3.700 2.090 2.072 2.118 . 0 0 "[ . 1 . ]" 1
460 1 57 THR MG 1 58 ASP H 3.640 . 6.000 3.363 3.080 4.126 . 0 0 "[ . 1 . ]" 1
461 1 58 ASP H 1 58 ASP HB2 3.290 . 3.500 3.556 3.554 3.564 0.064 17 0 "[ . 1 . ]" 1
462 1 58 ASP H 1 58 ASP HB3 2.840 . 3.500 2.680 2.482 2.710 . 0 0 "[ . 1 . ]" 1
463 1 58 ASP HA 1 59 ARG H 2.300 . 2.700 2.152 2.141 2.176 . 0 0 "[ . 1 . ]" 1
464 1 58 ASP HA 1 60 CYS H 3.750 . 5.000 3.620 3.521 3.952 . 0 0 "[ . 1 . ]" 1
465 1 58 ASP HB2 1 59 ARG H 3.360 . 3.500 3.337 3.144 3.492 . 0 0 "[ . 1 . ]" 1
466 1 59 ARG H 1 59 ARG HA 2.490 . 2.700 2.277 2.274 2.282 . 0 0 "[ . 1 . ]" 1
467 1 59 ARG H 1 59 ARG HG2 3.250 . 3.500 3.235 2.843 3.499 . 0 0 "[ . 1 . ]" 1
468 1 59 ARG H 1 59 ARG HG3 3.610 . 5.000 3.086 2.699 3.490 . 0 0 "[ . 1 . ]" 1
469 1 59 ARG H 1 60 CYS H 3.140 . 3.500 2.731 2.673 2.879 . 0 0 "[ . 1 . ]" 1
470 1 59 ARG HA 1 59 ARG HG2 3.060 . 3.500 2.447 2.206 2.720 . 0 0 "[ . 1 . ]" 1
471 1 59 ARG HA 1 59 ARG HG3 2.760 . 3.500 3.263 3.068 3.501 0.001 10 0 "[ . 1 . ]" 1
472 1 59 ARG HA 1 60 CYS H 3.210 . 3.500 2.914 2.688 2.969 . 0 0 "[ . 1 . ]" 1
473 1 59 ARG QB 1 59 ARG HD3 3.510 . 6.000 2.698 2.158 3.277 . 0 0 "[ . 1 . ]" 1
474 1 59 ARG HD2 1 59 ARG HG3 2.710 . 3.500 2.653 2.274 3.010 . 0 0 "[ . 1 . ]" 1
475 1 59 ARG HD3 1 59 ARG HG3 2.840 . 3.500 2.854 2.535 3.021 . 0 0 "[ . 1 . ]" 1
476 1 59 ARG HE 1 59 ARG HG3 4.120 . 5.000 2.690 2.119 3.577 . 0 0 "[ . 1 . ]" 1
477 1 60 CYS H 1 60 CYS HA 2.990 . 3.500 2.822 2.793 2.902 . 0 0 "[ . 1 . ]" 1
478 1 60 CYS H 1 60 CYS HB2 3.360 . 3.500 3.565 3.547 3.604 0.104 13 0 "[ . 1 . ]" 1
479 1 60 CYS H 1 60 CYS HB3 2.810 . 3.500 2.474 2.323 2.706 . 0 0 "[ . 1 . ]" 1
480 1 60 CYS H 1 61 ASN H 2.910 . 3.500 2.622 2.521 2.861 . 0 0 "[ . 1 . ]" 1
481 1 60 CYS HA 1 60 CYS HB2 2.410 . 2.700 2.413 2.348 2.473 . 0 0 "[ . 1 . ]" 1
482 1 60 CYS HA 1 60 CYS HB3 2.480 . 2.700 2.485 2.421 2.561 . 0 0 "[ . 1 . ]" 1
483 1 60 CYS HA 1 61 ASN H 3.910 . 5.000 3.415 2.990 3.484 . 0 0 "[ . 1 . ]" 1
484 1 61 ASN H 1 61 ASN HA 2.960 . 3.500 2.934 2.878 2.947 . 0 0 "[ . 1 . ]" 1
485 1 61 ASN H 1 61 ASN HB3 3.010 . 3.500 2.974 2.815 3.376 . 0 0 "[ . 1 . ]" 1
486 1 61 ASN H 1 62 ASN H 3.210 . 3.500 3.213 2.673 3.503 0.003 1 0 "[ . 1 . ]" 1
487 1 61 ASN HA 1 61 ASN HB2 2.440 . 2.700 2.461 2.411 2.527 . 0 0 "[ . 1 . ]" 1
488 1 61 ASN HA 1 61 ASN HB3 2.420 . 2.700 2.450 2.388 2.498 . 0 0 "[ . 1 . ]" 1
489 1 61 ASN HA 1 62 ASN H 2.730 . 3.500 2.621 2.493 2.863 . 0 0 "[ . 1 . ]" 1
490 1 61 ASN HB2 1 61 ASN HD21 2.820 . 3.500 2.582 2.109 2.845 . 0 0 "[ . 1 . ]" 1
491 1 61 ASN HB3 1 61 ASN HD21 3.120 . 3.500 2.530 2.280 3.207 . 0 0 "[ . 1 . ]" 1
492 1 62 ASN H 1 62 ASN HB2 3.080 . 3.500 2.792 2.178 3.565 0.065 7 0 "[ . 1 . ]" 1
493 1 62 ASN H 1 62 ASN HB3 2.880 . 3.500 2.727 2.518 3.050 . 0 0 "[ . 1 . ]" 1
494 1 62 ASN HB2 1 62 ASN HD22 4.090 . 5.000 3.749 3.450 4.102 . 0 0 "[ . 1 . ]" 1
495 1 62 ASN HB3 1 62 ASN HD22 3.930 . 5.000 3.631 3.445 4.102 . 0 0 "[ . 1 . ]" 1
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