NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596230 |
2n4u   |
25681 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4u
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 568
_Distance_constraint_stats_list.Viol_count 885
_Distance_constraint_stats_list.Viol_total 315.567
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0178
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.016 0.013 16 0 "[ . 1 . 2]"
1 3 THR 0.047 0.020 8 0 "[ . 1 . 2]"
1 4 ALA 0.072 0.024 12 0 "[ . 1 . 2]"
1 5 VAL 0.103 0.030 13 0 "[ . 1 . 2]"
1 6 SER 0.097 0.030 13 0 "[ . 1 . 2]"
1 7 GLU 0.915 0.029 9 0 "[ . 1 . 2]"
1 8 TRP 0.864 0.029 9 0 "[ . 1 . 2]"
1 9 THR 4.558 0.097 14 0 "[ . 1 . 2]"
1 10 GLU 1.367 0.052 18 0 "[ . 1 . 2]"
1 11 TYR 0.756 0.052 18 0 "[ . 1 . 2]"
1 12 LYS 1.570 0.047 10 0 "[ . 1 . 2]"
1 13 THR 0.733 0.046 9 0 "[ . 1 . 2]"
1 14 ALA 0.373 0.047 10 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 8 0 "[ . 1 . 2]"
1 16 GLY 0.884 0.032 16 0 "[ . 1 . 2]"
1 17 LYS 1.460 0.051 16 0 "[ . 1 . 2]"
1 18 THR 0.382 0.025 1 0 "[ . 1 . 2]"
1 19 TYR 1.236 0.051 16 0 "[ . 1 . 2]"
1 20 TYR 0.690 0.021 11 0 "[ . 1 . 2]"
1 21 TYR 0.020 0.005 4 0 "[ . 1 . 2]"
1 22 ASN 6.158 0.101 13 0 "[ . 1 . 2]"
1 23 ASN 2.289 0.071 3 0 "[ . 1 . 2]"
1 24 ARG 0.243 0.020 20 0 "[ . 1 . 2]"
1 25 THR 0.608 0.027 7 0 "[ . 1 . 2]"
1 26 LEU 0.998 0.038 18 0 "[ . 1 . 2]"
1 27 TYR 2.897 0.101 13 0 "[ . 1 . 2]"
1 28 SER 0.421 0.022 15 0 "[ . 1 . 2]"
1 29 THR 0.200 0.013 17 0 "[ . 1 . 2]"
1 30 TRP 0.527 0.026 8 0 "[ . 1 . 2]"
1 31 GLU 0.065 0.026 8 0 "[ . 1 . 2]"
1 32 LYS 0.187 0.030 1 0 "[ . 1 . 2]"
1 33 PRO 0.248 0.030 1 0 "[ . 1 . 2]"
1 34 GLN 0.078 0.014 17 0 "[ . 1 . 2]"
1 35 GLU 0.067 0.015 9 0 "[ . 1 . 2]"
1 36 LEU 0.385 0.018 2 0 "[ . 1 . 2]"
1 37 LYS 0.041 0.009 1 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 GLY HA3 1 2 ALA H 3.805 2.032 5.577 2.785 2.136 3.503 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 THR H 1.918 . 2.418 2.249 2.129 2.432 0.013 16 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 3 THR H 4.257 2.136 6.377 3.125 2.252 3.695 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR HA 1 4 ALA H 3.037 . 4.220 2.776 2.135 3.572 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR HB 1 4 ALA H 3.950 2.065 5.834 3.411 2.045 4.444 0.020 8 0 "[ . 1 . 2]" 1
6 1 3 THR MG 1 4 ALA H 3.965 2.069 5.861 3.390 2.063 4.283 0.006 2 0 "[ . 1 . 2]" 1
7 1 4 ALA H 1 5 VAL H 3.771 2.024 5.518 3.474 2.020 4.522 0.004 5 0 "[ . 1 . 2]" 1
8 1 4 ALA HA 1 5 VAL H 2.800 . 3.800 2.618 2.111 3.574 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA MB 1 5 VAL H 4.050 2.088 6.012 2.994 2.082 3.677 0.006 12 0 "[ . 1 . 2]" 1
10 1 4 ALA MB 1 6 SER HB2 4.392 2.167 6.617 5.384 2.839 6.641 0.024 12 0 "[ . 1 . 2]" 1
11 1 5 VAL H 1 6 SER H 3.700 2.008 5.391 4.421 3.543 4.583 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL HA 1 6 SER H 2.677 . 3.582 2.245 2.101 2.564 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL HB 1 6 SER H 3.709 2.010 5.409 3.099 2.008 4.231 0.002 19 0 "[ . 1 . 2]" 1
14 1 5 VAL MG1 1 6 SER H 3.992 2.075 5.909 3.840 3.590 4.239 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL MG2 1 6 SER H 3.955 2.066 5.843 3.858 2.866 4.243 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL MG2 1 6 SER HB3 4.014 2.080 5.948 5.760 4.999 5.979 0.030 13 0 "[ . 1 . 2]" 1
17 1 5 VAL MG2 1 35 GLU HB2 2.637 . 3.511 3.037 1.991 3.516 0.005 8 0 "[ . 1 . 2]" 1
18 1 6 SER HA 1 7 GLU H 2.818 . 3.832 3.232 3.108 3.361 . 0 0 "[ . 1 . 2]" 1
19 1 6 SER HB2 1 7 GLU H 3.935 2.062 5.807 4.106 3.519 4.454 . 0 0 "[ . 1 . 2]" 1
20 1 6 SER HB2 1 8 TRP H 3.935 2.062 5.807 5.549 4.972 5.799 . 0 0 "[ . 1 . 2]" 1
21 1 6 SER HB3 1 7 GLU H 3.906 2.055 5.757 3.864 3.307 4.500 . 0 0 "[ . 1 . 2]" 1
22 1 6 SER HB3 1 8 TRP H 3.771 2.024 5.518 5.328 5.071 5.520 0.002 12 0 "[ . 1 . 2]" 1
23 1 7 GLU H 1 8 TRP H 3.465 . 4.976 2.493 2.394 2.595 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLU H 1 8 TRP HD1 4.319 2.151 6.487 3.889 3.472 4.316 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU HA 1 8 TRP H 3.534 . 5.098 3.425 3.363 3.487 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLU HA 1 23 ASN HD21 3.906 2.055 5.757 4.695 4.461 4.959 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLU HA 1 23 ASN HD22 3.840 2.040 5.641 3.375 3.112 3.658 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLU HB2 1 8 TRP H 3.719 2.012 5.426 3.881 3.580 4.022 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLU HB2 1 8 TRP HD1 3.167 . 4.449 4.244 3.788 4.409 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLU HB2 1 8 TRP HE1 3.729 2.014 5.444 5.341 4.945 5.453 0.009 16 0 "[ . 1 . 2]" 1
31 1 7 GLU HB2 1 22 ASN HD21 3.223 . 4.549 3.707 3.476 3.811 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLU HB2 1 22 ASN HD22 3.997 2.076 5.918 2.242 2.066 2.414 0.010 3 0 "[ . 1 . 2]" 1
33 1 7 GLU HB2 1 23 ASN H 3.611 . 5.234 4.102 3.989 4.325 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLU HB2 1 24 ARG HD2 3.681 2.003 5.358 3.222 2.166 5.203 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU HB2 1 24 ARG HD3 3.452 . 4.954 2.713 2.084 4.224 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLU HB3 1 8 TRP H 3.563 . 5.150 4.158 4.032 4.294 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLU HB3 1 8 TRP HD1 3.305 . 4.693 4.713 4.703 4.722 0.029 9 0 "[ . 1 . 2]" 1
38 1 7 GLU HB3 1 22 ASN HD21 3.556 . 5.137 5.122 4.985 5.150 0.013 7 0 "[ . 1 . 2]" 1
39 1 7 GLU HB3 1 22 ASN HD22 3.750 2.019 5.480 3.758 3.572 3.888 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLU HB3 1 23 ASN H 3.739 2.017 5.462 5.476 5.465 5.482 0.021 14 0 "[ . 1 . 2]" 1
41 1 7 GLU HG2 1 8 TRP H 3.587 . 5.192 2.895 2.188 3.462 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLU HG3 1 8 TRP H 3.541 . 5.111 3.016 2.430 4.177 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLU HG3 1 8 TRP HD1 3.179 . 4.471 2.135 1.874 3.027 0.014 16 0 "[ . 1 . 2]" 1
44 1 8 TRP H 1 9 THR H 4.014 2.080 5.948 4.560 4.528 4.584 . 0 0 "[ . 1 . 2]" 1
45 1 8 TRP HA 1 9 THR H 2.423 . 3.134 2.263 2.210 2.317 . 0 0 "[ . 1 . 2]" 1
46 1 8 TRP HA 1 9 THR HB 4.032 2.084 5.980 4.256 4.187 4.288 . 0 0 "[ . 1 . 2]" 1
47 1 8 TRP HA 1 22 ASN HA 3.595 . 5.206 2.339 2.245 2.472 . 0 0 "[ . 1 . 2]" 1
48 1 8 TRP HA 1 22 ASN HD22 3.965 2.069 5.861 3.555 3.447 3.670 . 0 0 "[ . 1 . 2]" 1
49 1 8 TRP HA 1 23 ASN H 3.433 . 4.920 3.242 3.059 3.460 . 0 0 "[ . 1 . 2]" 1
50 1 8 TRP HB2 1 9 THR H 3.587 . 5.192 4.146 4.054 4.253 . 0 0 "[ . 1 . 2]" 1
51 1 8 TRP HB2 1 36 LEU MD1 4.116 2.104 6.129 3.045 2.144 4.222 . 0 0 "[ . 1 . 2]" 1
52 1 8 TRP HB2 1 36 LEU MD2 4.032 2.084 5.980 3.404 2.500 4.426 . 0 0 "[ . 1 . 2]" 1
53 1 8 TRP HB3 1 9 THR H 3.458 . 4.965 2.958 2.808 3.135 . 0 0 "[ . 1 . 2]" 1
54 1 8 TRP HB3 1 20 TYR QD 4.041 2.086 5.995 4.288 3.657 4.828 . 0 0 "[ . 1 . 2]" 1
55 1 8 TRP HB3 1 33 PRO HG2 4.177 2.118 6.236 4.703 3.585 5.103 . 0 0 "[ . 1 . 2]" 1
56 1 8 TRP HB3 1 33 PRO HG3 4.202 2.124 6.280 4.458 3.606 4.967 . 0 0 "[ . 1 . 2]" 1
57 1 8 TRP HB3 1 36 LEU MD1 4.056 2.090 6.023 2.712 2.078 3.574 0.012 5 0 "[ . 1 . 2]" 1
58 1 8 TRP HB3 1 36 LEU MD2 3.997 2.076 5.918 3.386 2.375 4.447 . 0 0 "[ . 1 . 2]" 1
59 1 8 TRP HD1 1 33 PRO HG2 4.050 2.088 6.012 5.704 5.163 6.021 0.009 1 0 "[ . 1 . 2]" 1
60 1 8 TRP HD1 1 33 PRO HG3 4.069 2.093 6.045 5.704 4.894 6.052 0.007 9 0 "[ . 1 . 2]" 1
61 1 8 TRP HD1 1 35 GLU HB2 3.750 2.019 5.480 5.030 4.248 5.486 0.005 9 0 "[ . 1 . 2]" 1
62 1 8 TRP HD1 1 35 GLU HG2 3.409 . 4.877 4.383 3.808 4.881 0.004 8 0 "[ . 1 . 2]" 1
63 1 8 TRP HD1 1 36 LEU MD1 3.965 2.069 5.861 4.303 2.877 5.866 0.005 2 0 "[ . 1 . 2]" 1
64 1 8 TRP HD1 1 36 LEU MD2 4.076 2.094 6.057 5.138 4.265 6.059 0.003 8 0 "[ . 1 . 2]" 1
65 1 8 TRP HD1 1 36 LEU HG 4.014 2.080 5.948 5.365 4.384 5.962 0.013 10 0 "[ . 1 . 2]" 1
66 1 8 TRP HE1 1 22 ASN HD22 3.950 2.065 5.834 3.702 3.622 3.777 . 0 0 "[ . 1 . 2]" 1
67 1 8 TRP HE1 1 33 PRO HB2 3.793 2.029 5.557 4.802 4.101 5.289 . 0 0 "[ . 1 . 2]" 1
68 1 8 TRP HE1 1 33 PRO HB3 4.050 2.088 6.012 5.110 3.945 5.943 . 0 0 "[ . 1 . 2]" 1
69 1 8 TRP HE1 1 33 PRO HG2 4.354 2.159 6.549 5.407 4.728 5.939 . 0 0 "[ . 1 . 2]" 1
70 1 8 TRP HE1 1 33 PRO HG3 4.537 2.201 6.872 5.050 4.270 5.551 . 0 0 "[ . 1 . 2]" 1
71 1 8 TRP HE1 1 35 GLU HG2 3.709 2.010 5.409 3.836 3.101 4.479 . 0 0 "[ . 1 . 2]" 1
72 1 8 TRP HE1 1 35 GLU HG3 3.729 2.014 5.444 2.954 2.262 3.527 . 0 0 "[ . 1 . 2]" 1
73 1 8 TRP HE1 1 36 LEU MD1 4.625 2.221 7.028 5.004 3.921 6.488 . 0 0 "[ . 1 . 2]" 1
74 1 8 TRP HE3 1 9 THR H 3.478 . 5.000 3.253 2.990 3.465 . 0 0 "[ . 1 . 2]" 1
75 1 8 TRP HE3 1 20 TYR HA 3.654 . 5.310 4.285 4.091 4.474 . 0 0 "[ . 1 . 2]" 1
76 1 8 TRP HE3 1 20 TYR HB2 2.619 . 3.480 3.288 2.887 3.484 0.004 11 0 "[ . 1 . 2]" 1
77 1 8 TRP HE3 1 20 TYR HB3 2.971 . 4.102 2.126 1.833 2.437 0.007 10 0 "[ . 1 . 2]" 1
78 1 8 TRP HE3 1 20 TYR QD 3.776 2.025 5.527 3.967 3.706 4.259 . 0 0 "[ . 1 . 2]" 1
79 1 8 TRP HE3 1 22 ASN HA 3.397 . 4.857 4.180 3.936 4.407 . 0 0 "[ . 1 . 2]" 1
80 1 8 TRP HE3 1 22 ASN HB3 3.719 2.012 5.426 3.917 3.754 4.110 . 0 0 "[ . 1 . 2]" 1
81 1 8 TRP HE3 1 29 THR MG 3.849 2.042 5.655 3.885 3.709 5.245 . 0 0 "[ . 1 . 2]" 1
82 1 8 TRP HE3 1 33 PRO HG2 4.109 2.102 6.116 4.350 3.294 4.794 . 0 0 "[ . 1 . 2]" 1
83 1 8 TRP HE3 1 33 PRO HG3 3.950 2.065 5.834 3.263 2.704 3.775 . 0 0 "[ . 1 . 2]" 1
84 1 8 TRP HE3 1 36 LEU MD1 4.330 2.153 6.508 3.406 2.570 4.764 . 0 0 "[ . 1 . 2]" 1
85 1 8 TRP HE3 1 36 LEU MD2 4.435 2.177 6.692 4.595 3.368 5.566 . 0 0 "[ . 1 . 2]" 1
86 1 8 TRP HH2 1 20 TYR HB2 3.369 . 4.806 4.814 4.808 4.822 0.016 10 0 "[ . 1 . 2]" 1
87 1 8 TRP HH2 1 22 ASN HB2 4.032 2.084 5.980 5.076 4.934 5.207 . 0 0 "[ . 1 . 2]" 1
88 1 8 TRP HH2 1 22 ASN HB3 3.709 2.010 5.409 4.754 4.541 4.863 . 0 0 "[ . 1 . 2]" 1
89 1 8 TRP HH2 1 27 TYR QD 3.272 . 4.636 3.685 3.318 4.001 . 0 0 "[ . 1 . 2]" 1
90 1 8 TRP HH2 1 27 TYR QE 3.636 . 5.279 4.568 4.043 4.863 . 0 0 "[ . 1 . 2]" 1
91 1 8 TRP HH2 1 29 THR HB 3.782 2.027 5.537 4.094 3.550 4.406 . 0 0 "[ . 1 . 2]" 1
92 1 8 TRP HH2 1 29 THR MG 3.461 . 4.969 2.500 2.340 2.955 . 0 0 "[ . 1 . 2]" 1
93 1 8 TRP HH2 1 33 PRO HG3 4.153 2.112 6.194 3.499 3.122 4.094 . 0 0 "[ . 1 . 2]" 1
94 1 8 TRP HZ2 1 22 ASN HB3 3.950 2.065 5.834 4.997 4.803 5.094 . 0 0 "[ . 1 . 2]" 1
95 1 8 TRP HZ2 1 22 ASN HD21 3.452 . 4.954 4.018 3.777 4.143 . 0 0 "[ . 1 . 2]" 1
96 1 8 TRP HZ2 1 27 TYR QD 3.981 2.073 5.889 4.309 4.047 4.626 . 0 0 "[ . 1 . 2]" 1
97 1 8 TRP HZ2 1 33 PRO HB3 4.069 2.093 6.045 3.504 2.849 3.997 . 0 0 "[ . 1 . 2]" 1
98 1 8 TRP HZ2 1 33 PRO HG2 4.228 2.130 6.327 5.115 4.617 5.779 . 0 0 "[ . 1 . 2]" 1
99 1 8 TRP HZ2 1 33 PRO HG3 3.997 2.076 5.918 4.083 3.454 4.763 . 0 0 "[ . 1 . 2]" 1
100 1 8 TRP HZ3 1 20 TYR HA 4.287 2.143 6.430 4.896 4.769 5.020 . 0 0 "[ . 1 . 2]" 1
101 1 8 TRP HZ3 1 20 TYR HB2 2.961 . 4.086 2.622 2.551 2.724 . 0 0 "[ . 1 . 2]" 1
102 1 8 TRP HZ3 1 20 TYR HB3 3.397 . 4.857 2.960 2.832 3.144 . 0 0 "[ . 1 . 2]" 1
103 1 8 TRP HZ3 1 22 ASN H 3.146 . 4.413 4.308 4.053 4.419 0.006 1 0 "[ . 1 . 2]" 1
104 1 8 TRP HZ3 1 22 ASN HB2 3.111 . 4.350 4.107 3.887 4.340 . 0 0 "[ . 1 . 2]" 1
105 1 8 TRP HZ3 1 22 ASN HB3 3.336 . 4.748 4.229 3.961 4.467 . 0 0 "[ . 1 . 2]" 1
106 1 8 TRP HZ3 1 27 TYR HB2 3.020 . 4.190 3.237 2.922 3.456 . 0 0 "[ . 1 . 2]" 1
107 1 8 TRP HZ3 1 27 TYR HB3 3.062 . 4.264 3.785 3.475 4.079 . 0 0 "[ . 1 . 2]" 1
108 1 8 TRP HZ3 1 27 TYR QD 3.325 . 4.729 4.413 4.183 4.672 . 0 0 "[ . 1 . 2]" 1
109 1 8 TRP HZ3 1 29 THR MG 3.201 . 4.509 2.019 1.889 3.317 0.003 6 0 "[ . 1 . 2]" 1
110 1 8 TRP HZ3 1 33 PRO HG3 4.153 2.112 6.194 3.056 2.645 3.391 . 0 0 "[ . 1 . 2]" 1
111 1 9 THR H 1 20 TYR HB2 4.109 2.102 6.116 5.628 5.429 5.776 . 0 0 "[ . 1 . 2]" 1
112 1 9 THR H 1 20 TYR QD 4.413 2.172 6.654 4.696 4.358 5.043 . 0 0 "[ . 1 . 2]" 1
113 1 9 THR H 1 21 TYR H 3.134 . 4.391 3.961 3.646 4.213 . 0 0 "[ . 1 . 2]" 1
114 1 9 THR H 1 21 TYR QD 4.354 2.159 6.549 5.161 4.993 5.385 . 0 0 "[ . 1 . 2]" 1
115 1 9 THR H 1 22 ASN HA 3.805 2.032 5.577 1.990 1.981 1.996 0.051 16 0 "[ . 1 . 2]" 1
116 1 9 THR H 1 23 ASN H 4.069 2.093 6.045 3.895 3.767 3.967 . 0 0 "[ . 1 . 2]" 1
117 1 9 THR H 1 36 LEU MD2 4.537 2.201 6.872 5.576 4.686 6.465 . 0 0 "[ . 1 . 2]" 1
118 1 9 THR HA 1 10 GLU H 1.750 . 2.250 2.278 2.255 2.292 0.042 12 0 "[ . 1 . 2]" 1
119 1 9 THR HA 1 22 ASN HB2 3.681 2.003 5.358 5.448 5.442 5.456 0.097 14 0 "[ . 1 . 2]" 1
120 1 9 THR HA 1 23 ASN HD21 2.515 . 3.296 3.363 3.358 3.367 0.071 3 0 "[ . 1 . 2]" 1
121 1 9 THR HA 1 36 LEU MD2 4.466 2.184 6.747 5.547 4.926 6.223 . 0 0 "[ . 1 . 2]" 1
122 1 9 THR HB 1 10 GLU H 3.526 . 5.085 4.298 4.163 4.542 . 0 0 "[ . 1 . 2]" 1
123 1 9 THR HB 1 11 TYR QD 3.853 2.043 5.663 4.982 4.831 5.149 . 0 0 "[ . 1 . 2]" 1
124 1 9 THR HB 1 11 TYR QE 3.075 . 4.287 4.191 3.902 4.294 0.008 16 0 "[ . 1 . 2]" 1
125 1 9 THR HB 1 21 TYR H 3.892 2.052 5.732 4.301 4.097 4.548 . 0 0 "[ . 1 . 2]" 1
126 1 9 THR HB 1 21 TYR HB3 3.805 2.032 5.577 3.844 3.702 4.044 . 0 0 "[ . 1 . 2]" 1
127 1 9 THR HB 1 21 TYR QD 3.690 2.005 5.375 3.489 3.276 3.754 . 0 0 "[ . 1 . 2]" 1
128 1 9 THR HB 1 23 ASN HD21 3.729 2.014 5.444 2.244 2.029 2.434 . 0 0 "[ . 1 . 2]" 1
129 1 9 THR HB 1 23 ASN HD22 3.892 2.052 5.732 3.914 3.702 4.102 . 0 0 "[ . 1 . 2]" 1
130 1 9 THR MG 1 10 GLU H 3.192 . 4.494 2.514 2.269 3.018 . 0 0 "[ . 1 . 2]" 1
131 1 9 THR MG 1 11 TYR H 3.805 2.032 5.577 3.821 3.511 4.215 . 0 0 "[ . 1 . 2]" 1
132 1 9 THR MG 1 11 TYR QD 4.003 2.078 5.928 3.008 2.869 3.149 . 0 0 "[ . 1 . 2]" 1
133 1 9 THR MG 1 11 TYR QE 3.734 2.016 5.453 2.643 2.450 2.748 . 0 0 "[ . 1 . 2]" 1
134 1 9 THR MG 1 21 TYR H 4.406 2.171 6.641 3.191 3.045 3.453 . 0 0 "[ . 1 . 2]" 1
135 1 9 THR MG 1 21 TYR QD 4.287 2.143 6.430 3.342 3.138 3.552 . 0 0 "[ . 1 . 2]" 1
136 1 9 THR MG 1 23 ASN HD21 4.257 2.136 6.377 3.465 3.411 3.532 . 0 0 "[ . 1 . 2]" 1
137 1 9 THR MG 1 23 ASN HD22 4.406 2.171 6.641 4.662 4.591 4.734 . 0 0 "[ . 1 . 2]" 1
138 1 10 GLU HA 1 11 TYR H 2.151 . 2.652 2.120 2.058 2.223 . 0 0 "[ . 1 . 2]" 1
139 1 10 GLU HA 1 11 TYR QD 4.006 2.078 5.933 4.698 4.343 4.893 . 0 0 "[ . 1 . 2]" 1
140 1 10 GLU HA 1 18 THR MG 4.116 2.104 6.129 4.104 3.813 4.359 . 0 0 "[ . 1 . 2]" 1
141 1 10 GLU HA 1 20 TYR HA 3.920 2.058 5.782 2.251 2.055 2.461 0.003 12 0 "[ . 1 . 2]" 1
142 1 10 GLU HA 1 20 TYR QD 3.591 . 5.199 2.529 2.202 3.655 . 0 0 "[ . 1 . 2]" 1
143 1 10 GLU HA 1 20 TYR QE 3.828 2.037 5.619 4.095 3.728 5.152 . 0 0 "[ . 1 . 2]" 1
144 1 10 GLU HA 1 21 TYR H 3.700 2.008 5.391 2.880 2.538 3.196 . 0 0 "[ . 1 . 2]" 1
145 1 10 GLU HB2 1 11 TYR H 2.750 . 3.712 3.086 2.310 3.195 . 0 0 "[ . 1 . 2]" 1
146 1 10 GLU HB2 1 11 TYR HA 3.295 . 4.675 4.665 4.438 4.692 0.017 3 0 "[ . 1 . 2]" 1
147 1 10 GLU HB2 1 18 THR HB 3.950 2.065 5.834 5.349 4.809 5.837 0.004 6 0 "[ . 1 . 2]" 1
148 1 10 GLU HB2 1 18 THR MG 3.001 . 4.156 2.581 2.168 2.935 . 0 0 "[ . 1 . 2]" 1
149 1 10 GLU HB2 1 20 TYR HA 3.935 2.062 5.807 3.902 3.522 4.176 . 0 0 "[ . 1 . 2]" 1
150 1 10 GLU HB2 1 36 LEU MD2 4.247 2.134 6.360 5.457 4.869 5.948 . 0 0 "[ . 1 . 2]" 1
151 1 10 GLU HB3 1 20 TYR QD 3.214 . 4.533 2.086 1.888 2.533 0.007 12 0 "[ . 1 . 2]" 1
152 1 10 GLU HB3 1 20 TYR QE 2.952 . 4.069 2.295 1.999 3.293 . 0 0 "[ . 1 . 2]" 1
153 1 10 GLU HG2 1 11 TYR H 2.977 . 4.114 4.130 4.118 4.166 0.052 18 0 "[ . 1 . 2]" 1
154 1 10 GLU HG2 1 11 TYR HA 3.729 2.014 5.444 4.085 3.951 5.331 . 0 0 "[ . 1 . 2]" 1
155 1 10 GLU HG2 1 18 THR MG 3.386 . 4.836 3.836 3.098 4.263 . 0 0 "[ . 1 . 2]" 1
156 1 10 GLU HG2 1 20 TYR QD 3.383 . 4.831 4.795 4.646 4.841 0.010 14 0 "[ . 1 . 2]" 1
157 1 10 GLU HG2 1 20 TYR QE 3.197 . 4.502 4.509 4.388 4.523 0.021 11 0 "[ . 1 . 2]" 1
158 1 10 GLU HG2 1 36 LEU MD2 4.276 2.141 6.412 6.311 5.706 6.425 0.013 2 0 "[ . 1 . 2]" 1
159 1 11 TYR H 1 12 LYS H 3.805 2.032 5.577 4.409 4.275 4.467 . 0 0 "[ . 1 . 2]" 1
160 1 11 TYR H 1 18 THR MG 3.840 2.040 5.641 3.795 3.323 4.164 . 0 0 "[ . 1 . 2]" 1
161 1 11 TYR H 1 19 TYR H 3.280 . 4.517 3.958 3.835 4.158 . 0 0 "[ . 1 . 2]" 1
162 1 11 TYR H 1 19 TYR QD 4.014 2.080 5.948 4.603 4.445 4.723 . 0 0 "[ . 1 . 2]" 1
163 1 11 TYR H 1 20 TYR HA 3.526 . 5.085 3.110 2.877 3.551 . 0 0 "[ . 1 . 2]" 1
164 1 11 TYR HA 1 12 LYS H 2.239 . 2.807 2.240 2.207 2.281 . 0 0 "[ . 1 . 2]" 1
165 1 11 TYR HA 1 19 TYR QD 4.165 2.115 6.215 5.920 5.683 6.100 . 0 0 "[ . 1 . 2]" 1
166 1 11 TYR HA 1 19 TYR QE 4.271 2.140 6.403 5.388 5.002 5.682 . 0 0 "[ . 1 . 2]" 1
167 1 11 TYR HB2 1 12 LYS H 2.867 . 3.918 3.932 3.927 3.940 0.022 5 0 "[ . 1 . 2]" 1
168 1 11 TYR HB2 1 19 TYR QE 3.667 2.000 5.334 3.413 3.202 3.683 . 0 0 "[ . 1 . 2]" 1
169 1 11 TYR HB3 1 12 LYS H 3.397 . 4.857 2.716 2.672 2.745 . 0 0 "[ . 1 . 2]" 1
170 1 11 TYR HB3 1 19 TYR H 4.109 2.102 6.116 5.179 4.654 5.461 . 0 0 "[ . 1 . 2]" 1
171 1 11 TYR HB3 1 19 TYR QD 4.177 2.118 6.236 4.802 4.462 5.142 . 0 0 "[ . 1 . 2]" 1
172 1 11 TYR HB3 1 19 TYR QE 3.734 2.016 5.453 3.651 3.261 4.034 . 0 0 "[ . 1 . 2]" 1
173 1 11 TYR QD 1 12 LYS H 3.834 2.039 5.630 3.336 3.169 3.475 . 0 0 "[ . 1 . 2]" 1
174 1 11 TYR QD 1 12 LYS HB2 4.257 2.136 6.377 5.610 5.331 6.294 . 0 0 "[ . 1 . 2]" 1
175 1 11 TYR QD 1 19 TYR QE 3.822 2.079 5.609 3.577 3.306 4.041 . 0 0 "[ . 1 . 2]" 1
176 1 11 TYR QD 1 20 TYR HA 4.089 2.097 6.080 5.107 4.196 5.584 . 0 0 "[ . 1 . 2]" 1
177 1 11 TYR QD 1 21 TYR H 4.060 2.091 6.028 3.577 2.729 3.898 . 0 0 "[ . 1 . 2]" 1
178 1 11 TYR QD 1 21 TYR HA 4.413 2.172 6.654 4.761 4.480 4.999 . 0 0 "[ . 1 . 2]" 1
179 1 11 TYR QD 1 21 TYR HB2 3.471 . 4.988 2.643 2.448 2.889 . 0 0 "[ . 1 . 2]" 1
180 1 11 TYR QD 1 21 TYR HB3 3.471 . 4.988 2.048 1.950 2.204 0.005 4 0 "[ . 1 . 2]" 1
181 1 11 TYR QD 1 21 TYR QD 4.104 2.101 6.107 3.597 3.153 3.981 . 0 0 "[ . 1 . 2]" 1
182 1 11 TYR QE 1 19 TYR QE 4.183 2.119 6.247 5.324 4.974 5.849 . 0 0 "[ . 1 . 2]" 1
183 1 11 TYR QE 1 21 TYR H 4.215 2.127 6.303 4.887 4.090 5.341 . 0 0 "[ . 1 . 2]" 1
184 1 11 TYR QE 1 21 TYR HA 4.257 2.136 6.377 5.426 4.879 5.861 . 0 0 "[ . 1 . 2]" 1
185 1 11 TYR QE 1 21 TYR HB2 3.270 . 4.631 3.955 3.371 4.430 . 0 0 "[ . 1 . 2]" 1
186 1 11 TYR QE 1 21 TYR HB3 3.418 . 4.893 2.642 1.942 3.081 0.001 10 0 "[ . 1 . 2]" 1
187 1 11 TYR QE 1 21 TYR QD 3.621 . 5.253 2.392 2.008 3.003 . 0 0 "[ . 1 . 2]" 1
188 1 12 LYS H 1 13 THR H 3.965 2.069 5.861 4.365 4.199 4.412 . 0 0 "[ . 1 . 2]" 1
189 1 12 LYS H 1 19 TYR QE 4.319 2.151 6.487 4.641 4.044 5.059 . 0 0 "[ . 1 . 2]" 1
190 1 12 LYS HA 1 13 THR H 1.983 . 2.483 2.121 2.067 2.204 . 0 0 "[ . 1 . 2]" 1
191 1 12 LYS HA 1 17 LYS H 3.906 2.055 5.757 4.264 4.105 4.547 . 0 0 "[ . 1 . 2]" 1
192 1 12 LYS HA 1 18 THR HA 3.280 . 4.649 2.696 2.154 3.005 . 0 0 "[ . 1 . 2]" 1
193 1 12 LYS HA 1 18 THR MG 4.020 2.082 5.959 4.134 3.327 4.493 . 0 0 "[ . 1 . 2]" 1
194 1 12 LYS HA 1 19 TYR H 3.260 . 4.614 3.395 3.192 3.520 . 0 0 "[ . 1 . 2]" 1
195 1 12 LYS HA 1 19 TYR QD 3.739 2.017 5.462 3.603 3.065 3.982 . 0 0 "[ . 1 . 2]" 1
196 1 12 LYS HA 1 19 TYR QE 3.859 2.044 5.674 3.440 2.929 3.938 . 0 0 "[ . 1 . 2]" 1
197 1 12 LYS HB2 1 13 THR H 3.179 . 4.471 4.127 3.962 4.386 . 0 0 "[ . 1 . 2]" 1
198 1 12 LYS HB2 1 14 ALA HA 3.950 2.065 5.834 5.847 5.827 5.881 0.047 10 0 "[ . 1 . 2]" 1
199 1 12 LYS HB2 1 16 GLY HA2 3.739 2.017 5.462 4.841 4.386 5.468 0.006 7 0 "[ . 1 . 2]" 1
200 1 12 LYS HB2 1 18 THR HA 4.050 2.088 6.012 4.519 3.201 4.943 . 0 0 "[ . 1 . 2]" 1
201 1 12 LYS HB2 1 18 THR MG 4.557 2.205 6.908 4.618 2.899 5.334 . 0 0 "[ . 1 . 2]" 1
202 1 12 LYS HB3 1 13 THR H 3.440 . 4.931 3.114 2.698 4.292 . 0 0 "[ . 1 . 2]" 1
203 1 12 LYS HB3 1 14 ALA HA 3.935 2.062 5.807 4.661 4.305 5.052 . 0 0 "[ . 1 . 2]" 1
204 1 12 LYS HB3 1 16 GLY HA2 3.571 . 5.164 3.637 2.944 5.175 0.011 10 0 "[ . 1 . 2]" 1
205 1 12 LYS HB3 1 18 THR HA 3.280 . 4.649 4.664 4.657 4.674 0.025 1 0 "[ . 1 . 2]" 1
206 1 12 LYS HB3 1 18 THR MG 3.866 2.046 5.685 5.231 4.398 5.564 . 0 0 "[ . 1 . 2]" 1
207 1 12 LYS HD3 1 16 GLY HA2 3.793 2.029 5.557 5.202 3.473 5.581 0.024 11 0 "[ . 1 . 2]" 1
208 1 12 LYS HE2 1 18 THR MG 4.116 2.104 6.129 3.914 2.102 5.924 0.002 18 0 "[ . 1 . 2]" 1
209 1 12 LYS HG2 1 13 THR H 3.446 . 4.942 4.139 2.689 4.666 . 0 0 "[ . 1 . 2]" 1
210 1 12 LYS HG2 1 16 GLY H 3.906 2.055 5.757 4.634 3.223 5.260 . 0 0 "[ . 1 . 2]" 1
211 1 12 LYS HG2 1 16 GLY HA2 3.950 2.065 5.834 3.134 2.578 3.386 . 0 0 "[ . 1 . 2]" 1
212 1 12 LYS HG2 1 16 GLY HA3 4.032 2.084 5.980 4.669 4.177 5.042 . 0 0 "[ . 1 . 2]" 1
213 1 12 LYS HG3 1 13 THR H 2.581 . 3.413 3.397 2.991 3.458 0.046 9 0 "[ . 1 . 2]" 1
214 1 12 LYS HG3 1 16 GLY H 3.981 2.073 5.889 4.820 3.303 5.603 . 0 0 "[ . 1 . 2]" 1
215 1 12 LYS HG3 1 16 GLY HA2 3.541 . 5.111 3.510 2.451 4.553 . 0 0 "[ . 1 . 2]" 1
216 1 12 LYS HG3 1 18 THR H 4.032 2.084 5.980 3.858 3.579 4.642 . 0 0 "[ . 1 . 2]" 1
217 1 12 LYS HG3 1 18 THR HA 3.662 . 5.326 2.575 2.163 3.958 . 0 0 "[ . 1 . 2]" 1
218 1 13 THR H 1 16 GLY H 3.866 2.046 5.685 3.725 3.472 4.041 . 0 0 "[ . 1 . 2]" 1
219 1 13 THR H 1 16 GLY HA2 4.354 2.159 6.549 4.276 3.819 4.743 . 0 0 "[ . 1 . 2]" 1
220 1 13 THR H 1 16 GLY HA3 3.981 2.073 5.889 5.574 5.208 5.915 0.026 1 0 "[ . 1 . 2]" 1
221 1 13 THR H 1 17 LYS H 3.184 . 4.479 2.789 2.549 3.105 . 0 0 "[ . 1 . 2]" 1
222 1 13 THR H 1 17 LYS HA 4.069 2.093 6.045 4.496 4.353 4.684 . 0 0 "[ . 1 . 2]" 1
223 1 13 THR H 1 17 LYS HB2 3.828 2.037 5.619 2.687 2.513 2.967 . 0 0 "[ . 1 . 2]" 1
224 1 13 THR H 1 17 LYS HB3 3.906 2.055 5.757 3.931 3.792 4.203 . 0 0 "[ . 1 . 2]" 1
225 1 13 THR H 1 18 THR HA 3.433 . 4.920 4.212 3.773 4.548 . 0 0 "[ . 1 . 2]" 1
226 1 13 THR H 1 18 THR MG 4.578 2.210 6.946 5.718 5.103 6.041 . 0 0 "[ . 1 . 2]" 1
227 1 13 THR H 1 19 TYR H 4.069 2.093 6.045 4.414 3.999 4.583 . 0 0 "[ . 1 . 2]" 1
228 1 13 THR H 1 19 TYR QD 3.906 2.055 5.757 3.715 3.124 3.906 . 0 0 "[ . 1 . 2]" 1
229 1 13 THR H 1 19 TYR QE 3.920 2.058 5.782 3.028 2.635 3.424 . 0 0 "[ . 1 . 2]" 1
230 1 13 THR HA 1 14 ALA H 3.034 . 4.214 2.332 2.291 2.396 . 0 0 "[ . 1 . 2]" 1
231 1 13 THR HA 1 14 ALA HA 3.816 2.035 5.598 4.250 4.075 4.363 . 0 0 "[ . 1 . 2]" 1
232 1 13 THR HA 1 14 ALA MB 3.870 2.047 5.693 4.108 3.975 4.165 . 0 0 "[ . 1 . 2]" 1
233 1 13 THR HA 1 19 TYR QD 4.257 2.136 6.377 5.765 5.068 5.981 . 0 0 "[ . 1 . 2]" 1
234 1 13 THR HA 1 19 TYR QE 3.449 . 4.948 3.926 3.200 4.113 . 0 0 "[ . 1 . 2]" 1
235 1 13 THR HB 1 14 ALA H 3.210 . 4.525 2.734 2.668 2.805 . 0 0 "[ . 1 . 2]" 1
236 1 13 THR HB 1 14 ALA MB 3.950 2.065 5.834 4.103 3.946 4.450 . 0 0 "[ . 1 . 2]" 1
237 1 13 THR MG 1 14 ALA H 4.342 2.156 6.528 3.664 3.228 3.900 . 0 0 "[ . 1 . 2]" 1
238 1 13 THR MG 1 15 ASP H 3.997 2.076 5.918 4.337 4.166 4.818 . 0 0 "[ . 1 . 2]" 1
239 1 13 THR MG 1 17 LYS H 3.849 2.042 5.655 4.140 3.434 4.933 . 0 0 "[ . 1 . 2]" 1
240 1 13 THR MG 1 17 LYS HB2 3.480 . 5.004 2.850 1.949 3.795 0.008 9 0 "[ . 1 . 2]" 1
241 1 13 THR MG 1 18 THR HA 4.102 2.101 6.104 5.652 5.059 6.109 0.005 12 0 "[ . 1 . 2]" 1
242 1 13 THR MG 1 19 TYR H 4.366 2.161 6.571 4.864 4.380 5.312 . 0 0 "[ . 1 . 2]" 1
243 1 13 THR MG 1 19 TYR HB2 4.366 2.161 6.571 6.195 5.351 6.584 0.013 1 0 "[ . 1 . 2]" 1
244 1 13 THR MG 1 19 TYR HB3 4.435 2.177 6.692 5.375 4.512 5.951 . 0 0 "[ . 1 . 2]" 1
245 1 13 THR MG 1 19 TYR QD 3.496 . 5.031 3.470 2.925 3.974 . 0 0 "[ . 1 . 2]" 1
246 1 13 THR MG 1 19 TYR QE 3.479 . 5.002 1.949 1.944 1.956 0.013 9 0 "[ . 1 . 2]" 1
247 1 13 THR MG 1 30 TRP HH2 3.214 . 4.533 3.647 2.708 4.198 . 0 0 "[ . 1 . 2]" 1
248 1 13 THR MG 1 30 TRP HZ2 3.986 2.074 5.899 5.568 4.739 5.905 0.006 2 0 "[ . 1 . 2]" 1
249 1 13 THR MG 1 30 TRP HZ3 3.389 . 4.843 3.817 2.849 4.762 . 0 0 "[ . 1 . 2]" 1
250 1 14 ALA H 1 19 TYR QE 4.120 2.105 6.135 6.067 5.452 6.154 0.019 19 0 "[ . 1 . 2]" 1
251 1 14 ALA HA 1 15 ASP H 3.556 . 5.137 3.467 3.316 3.580 . 0 0 "[ . 1 . 2]" 1
252 1 14 ALA MB 1 15 ASP H 3.654 . 5.310 2.983 2.683 3.300 . 0 0 "[ . 1 . 2]" 1
253 1 15 ASP HA 1 16 GLY H 3.034 . 4.214 3.301 3.242 3.341 . 0 0 "[ . 1 . 2]" 1
254 1 15 ASP HA 1 17 LYS H 3.465 . 4.976 4.921 4.808 4.977 0.000 8 0 "[ . 1 . 2]" 1
255 1 15 ASP HB2 1 16 GLY H 3.828 2.037 5.619 4.322 4.189 4.399 . 0 0 "[ . 1 . 2]" 1
256 1 15 ASP HB2 1 17 LYS H 4.109 2.102 6.116 4.913 4.730 5.058 . 0 0 "[ . 1 . 2]" 1
257 1 15 ASP HB3 1 16 GLY H 3.997 2.076 5.918 4.281 4.112 4.417 . 0 0 "[ . 1 . 2]" 1
258 1 15 ASP HB3 1 17 LYS H 4.319 2.151 6.487 5.122 4.775 5.352 . 0 0 "[ . 1 . 2]" 1
259 1 16 GLY H 1 17 LYS HA 4.202 2.124 6.280 4.915 4.885 4.939 . 0 0 "[ . 1 . 2]" 1
260 1 16 GLY H 1 17 LYS HB2 4.014 2.080 5.948 4.313 4.233 4.392 . 0 0 "[ . 1 . 2]" 1
261 1 16 GLY H 1 17 LYS HB3 3.906 2.055 5.757 5.761 5.724 5.788 0.032 16 0 "[ . 1 . 2]" 1
262 1 16 GLY H 1 17 LYS HG2 3.840 2.040 5.641 5.518 4.246 5.667 0.026 11 0 "[ . 1 . 2]" 1
263 1 16 GLY H 1 17 LYS HG3 3.906 2.055 5.757 4.477 4.100 5.715 . 0 0 "[ . 1 . 2]" 1
264 1 16 GLY HA2 1 17 LYS H 3.150 . 4.420 2.983 2.937 3.054 . 0 0 "[ . 1 . 2]" 1
265 1 16 GLY HA3 1 17 LYS H 3.681 2.003 5.358 3.460 3.421 3.474 . 0 0 "[ . 1 . 2]" 1
266 1 17 LYS H 1 18 THR H 3.997 2.076 5.918 4.327 4.186 4.471 . 0 0 "[ . 1 . 2]" 1
267 1 17 LYS H 1 19 TYR QE 3.872 2.047 5.697 5.224 4.994 5.529 . 0 0 "[ . 1 . 2]" 1
268 1 17 LYS H 1 30 TRP HZ3 4.131 2.107 6.154 5.257 4.700 5.505 . 0 0 "[ . 1 . 2]" 1
269 1 17 LYS HA 1 18 THR H 1.899 . 2.399 2.176 2.094 2.242 . 0 0 "[ . 1 . 2]" 1
270 1 17 LYS HA 1 30 TRP HZ3 3.935 2.062 5.807 4.416 4.151 4.828 . 0 0 "[ . 1 . 2]" 1
271 1 17 LYS HB2 1 18 THR H 3.241 . 4.581 4.442 4.217 4.497 . 0 0 "[ . 1 . 2]" 1
272 1 17 LYS HB2 1 19 TYR QD 4.413 2.172 6.654 3.222 2.875 3.554 . 0 0 "[ . 1 . 2]" 1
273 1 17 LYS HB2 1 19 TYR QE 4.153 2.112 6.194 3.617 3.492 4.014 . 0 0 "[ . 1 . 2]" 1
274 1 17 LYS HB2 1 30 TRP HE3 3.681 2.003 5.358 4.824 3.667 5.275 . 0 0 "[ . 1 . 2]" 1
275 1 17 LYS HB2 1 30 TRP HH2 3.556 . 5.137 4.638 4.379 5.057 . 0 0 "[ . 1 . 2]" 1
276 1 17 LYS HB2 1 30 TRP HZ3 2.856 . 3.898 3.049 2.415 3.343 . 0 0 "[ . 1 . 2]" 1
277 1 17 LYS HB3 1 18 THR H 2.984 . 4.125 3.684 3.301 3.887 . 0 0 "[ . 1 . 2]" 1
278 1 17 LYS HB3 1 19 TYR QE 4.131 2.107 6.154 4.095 3.803 4.908 . 0 0 "[ . 1 . 2]" 1
279 1 17 LYS HB3 1 30 TRP HE3 3.563 . 5.150 3.158 2.342 3.555 . 0 0 "[ . 1 . 2]" 1
280 1 17 LYS HB3 1 30 TRP HH2 3.534 . 5.098 4.244 3.884 4.969 . 0 0 "[ . 1 . 2]" 1
281 1 17 LYS HB3 1 30 TRP HZ3 2.741 . 3.695 2.012 1.783 2.534 0.003 1 0 "[ . 1 . 2]" 1
282 1 17 LYS HD2 1 30 TRP HE3 3.491 . 5.023 4.470 2.896 5.029 0.006 3 0 "[ . 1 . 2]" 1
283 1 17 LYS HD3 1 18 THR H 4.153 2.112 6.194 5.743 3.762 6.212 0.017 10 0 "[ . 1 . 2]" 1
284 1 17 LYS HD3 1 30 TRP HE3 3.374 . 4.816 3.656 2.986 4.733 . 0 0 "[ . 1 . 2]" 1
285 1 17 LYS HD3 1 30 TRP HZ3 3.512 . 5.060 2.431 1.953 4.753 0.012 8 0 "[ . 1 . 2]" 1
286 1 17 LYS HE2 1 30 TRP HZ3 3.997 2.076 5.918 4.185 2.739 5.365 . 0 0 "[ . 1 . 2]" 1
287 1 17 LYS HG2 1 18 THR H 3.587 . 5.192 4.403 4.026 5.099 . 0 0 "[ . 1 . 2]" 1
288 1 17 LYS HG2 1 19 TYR H 3.997 2.076 5.918 5.949 5.942 5.969 0.051 16 0 "[ . 1 . 2]" 1
289 1 17 LYS HG2 1 19 TYR QE 4.131 2.107 6.154 6.163 6.155 6.168 0.014 9 0 "[ . 1 . 2]" 1
290 1 17 LYS HG2 1 30 TRP HE3 3.840 2.040 5.641 4.296 3.925 4.680 . 0 0 "[ . 1 . 2]" 1
291 1 17 LYS HG2 1 30 TRP HH2 3.782 2.027 5.537 5.420 5.039 5.545 0.008 1 0 "[ . 1 . 2]" 1
292 1 17 LYS HG2 1 30 TRP HZ3 3.595 . 5.206 3.526 3.213 3.782 . 0 0 "[ . 1 . 2]" 1
293 1 17 LYS HG3 1 18 THR H 3.690 2.005 5.375 5.157 5.041 5.385 0.010 18 0 "[ . 1 . 2]" 1
294 1 17 LYS HG3 1 30 TRP HE3 4.014 2.080 5.948 5.357 3.109 5.830 . 0 0 "[ . 1 . 2]" 1
295 1 17 LYS HG3 1 30 TRP HZ3 3.709 2.010 5.409 3.949 2.012 4.351 . 0 0 "[ . 1 . 2]" 1
296 1 18 THR HA 1 19 TYR H 1.942 . 2.442 2.279 2.243 2.305 . 0 0 "[ . 1 . 2]" 1
297 1 18 THR HA 1 19 TYR HB3 3.563 . 5.150 4.990 4.897 5.045 . 0 0 "[ . 1 . 2]" 1
298 1 18 THR HA 1 19 TYR QD 3.403 . 4.867 3.642 3.469 3.859 . 0 0 "[ . 1 . 2]" 1
299 1 18 THR HB 1 19 TYR H 3.505 . 5.048 4.412 4.335 4.456 . 0 0 "[ . 1 . 2]" 1
300 1 18 THR HB 1 20 TYR QE 4.131 2.107 6.154 4.669 4.400 4.938 . 0 0 "[ . 1 . 2]" 1
301 1 18 THR MG 1 19 TYR H 3.214 . 4.533 3.610 3.574 3.632 . 0 0 "[ . 1 . 2]" 1
302 1 18 THR MG 1 19 TYR HA 4.003 2.078 5.928 4.044 3.895 4.375 . 0 0 "[ . 1 . 2]" 1
303 1 18 THR MG 1 20 TYR H 4.342 2.156 6.528 4.906 4.725 5.314 . 0 0 "[ . 1 . 2]" 1
304 1 18 THR MG 1 20 TYR QD 3.925 2.060 5.790 3.873 3.533 4.308 . 0 0 "[ . 1 . 2]" 1
305 1 18 THR MG 1 20 TYR QE 3.706 2.009 5.403 3.043 2.634 3.602 . 0 0 "[ . 1 . 2]" 1
306 1 19 TYR HA 1 20 TYR H 2.623 . 3.488 2.259 2.204 2.309 . 0 0 "[ . 1 . 2]" 1
307 1 19 TYR HA 1 20 TYR QE 3.671 2.001 5.342 4.673 4.169 4.951 . 0 0 "[ . 1 . 2]" 1
308 1 19 TYR HA 1 30 TRP HB3 3.840 2.040 5.641 4.522 4.189 4.902 . 0 0 "[ . 1 . 2]" 1
309 1 19 TYR HA 1 30 TRP HE3 3.241 . 4.581 3.869 3.791 4.031 . 0 0 "[ . 1 . 2]" 1
310 1 19 TYR HA 1 30 TRP HZ3 3.771 2.024 5.518 5.237 5.036 5.490 . 0 0 "[ . 1 . 2]" 1
311 1 19 TYR HB2 1 20 TYR H 3.219 . 4.541 2.785 2.660 2.889 . 0 0 "[ . 1 . 2]" 1
312 1 19 TYR HB2 1 30 TRP HE3 3.214 . 4.533 3.760 3.486 3.998 . 0 0 "[ . 1 . 2]" 1
313 1 19 TYR HB2 1 30 TRP HH2 4.109 2.102 6.116 5.347 5.134 5.608 . 0 0 "[ . 1 . 2]" 1
314 1 19 TYR HB2 1 30 TRP HZ3 3.369 . 4.806 4.561 4.291 4.757 . 0 0 "[ . 1 . 2]" 1
315 1 19 TYR HB3 1 20 TYR H 2.881 . 3.943 3.928 3.846 3.953 0.010 13 0 "[ . 1 . 2]" 1
316 1 19 TYR HB3 1 30 TRP HB2 4.153 2.112 6.194 5.123 4.785 5.296 . 0 0 "[ . 1 . 2]" 1
317 1 19 TYR HB3 1 30 TRP HE3 3.505 . 5.048 2.258 1.963 2.500 . 0 0 "[ . 1 . 2]" 1
318 1 19 TYR HB3 1 30 TRP HZ3 3.681 2.003 5.358 3.049 2.814 3.276 . 0 0 "[ . 1 . 2]" 1
319 1 19 TYR QD 1 20 TYR H 3.041 . 4.226 3.995 3.779 4.169 . 0 0 "[ . 1 . 2]" 1
320 1 19 TYR QD 1 21 TYR H 4.032 2.084 5.980 4.365 3.958 4.695 . 0 0 "[ . 1 . 2]" 1
321 1 19 TYR QD 1 28 SER HA 4.099 2.100 6.098 3.557 3.241 3.902 . 0 0 "[ . 1 . 2]" 1
322 1 19 TYR QD 1 28 SER HB2 3.214 . 4.533 3.878 3.679 4.105 . 0 0 "[ . 1 . 2]" 1
323 1 19 TYR QD 1 28 SER HB3 3.221 . 4.545 4.168 3.870 4.543 . 0 0 "[ . 1 . 2]" 1
324 1 19 TYR QD 1 29 THR H 3.892 2.052 5.732 4.061 3.706 4.483 . 0 0 "[ . 1 . 2]" 1
325 1 19 TYR QD 1 30 TRP HE3 3.973 2.071 5.875 3.741 3.371 4.013 . 0 0 "[ . 1 . 2]" 1
326 1 19 TYR QD 1 30 TRP HH2 3.989 2.074 5.904 4.163 3.730 4.642 . 0 0 "[ . 1 . 2]" 1
327 1 19 TYR QD 1 30 TRP HZ2 4.142 2.110 6.174 5.113 4.690 5.669 . 0 0 "[ . 1 . 2]" 1
328 1 19 TYR QD 1 30 TRP HZ3 3.455 . 4.959 2.821 2.315 3.288 . 0 0 "[ . 1 . 2]" 1
329 1 19 TYR QE 1 21 TYR HB2 3.965 2.069 5.861 3.162 2.764 3.798 . 0 0 "[ . 1 . 2]" 1
330 1 19 TYR QE 1 21 TYR HB3 3.541 . 5.111 4.413 4.086 4.909 . 0 0 "[ . 1 . 2]" 1
331 1 19 TYR QE 1 21 TYR QD 4.089 2.097 5.801 3.807 3.266 4.651 . 0 0 "[ . 1 . 2]" 1
332 1 19 TYR QE 1 28 SER HB2 3.424 . 4.904 4.910 4.906 4.918 0.014 19 0 "[ . 1 . 2]" 1
333 1 19 TYR QE 1 28 SER HB3 3.619 . 5.249 4.588 4.332 5.062 . 0 0 "[ . 1 . 2]" 1
334 1 19 TYR QE 1 30 TRP HZ3 4.177 2.118 6.236 4.087 3.652 4.465 . 0 0 "[ . 1 . 2]" 1
335 1 20 TYR H 1 29 THR H 3.485 . 5.012 3.346 3.222 3.571 . 0 0 "[ . 1 . 2]" 1
336 1 20 TYR H 1 29 THR MG 4.032 2.084 5.980 3.051 2.819 4.554 . 0 0 "[ . 1 . 2]" 1
337 1 20 TYR H 1 30 TRP HB2 4.319 2.151 6.487 6.211 6.017 6.362 . 0 0 "[ . 1 . 2]" 1
338 1 20 TYR HA 1 21 TYR H 2.504 . 3.276 2.056 2.028 2.094 . 0 0 "[ . 1 . 2]" 1
339 1 20 TYR HA 1 21 TYR HB2 3.965 2.069 5.861 4.537 4.450 4.650 . 0 0 "[ . 1 . 2]" 1
340 1 20 TYR HA 1 21 TYR HB3 4.032 2.084 5.980 4.591 4.558 4.668 . 0 0 "[ . 1 . 2]" 1
341 1 20 TYR HB2 1 21 TYR H 3.563 . 5.150 4.345 4.261 4.442 . 0 0 "[ . 1 . 2]" 1
342 1 20 TYR HB2 1 21 TYR HA 4.153 2.112 6.194 4.958 4.848 5.069 . 0 0 "[ . 1 . 2]" 1
343 1 20 TYR HB2 1 29 THR H 3.935 2.062 5.807 3.790 3.606 4.082 . 0 0 "[ . 1 . 2]" 1
344 1 20 TYR HB2 1 29 THR HB 3.563 . 5.150 4.867 2.562 5.155 0.004 17 0 "[ . 1 . 2]" 1
345 1 20 TYR HB2 1 29 THR MG 3.465 . 4.976 2.161 1.945 3.968 0.009 13 0 "[ . 1 . 2]" 1
346 1 20 TYR HB3 1 21 TYR H 3.793 2.029 5.557 3.610 3.467 3.829 . 0 0 "[ . 1 . 2]" 1
347 1 20 TYR HB3 1 29 THR H 3.950 2.065 5.834 4.930 4.680 5.224 . 0 0 "[ . 1 . 2]" 1
348 1 20 TYR QD 1 21 TYR H 4.032 2.084 5.980 4.107 3.920 4.408 . 0 0 "[ . 1 . 2]" 1
349 1 20 TYR QD 1 29 THR MG 3.695 2.006 5.383 2.926 2.564 3.962 . 0 0 "[ . 1 . 2]" 1
350 1 20 TYR QD 1 31 GLU H 4.215 2.127 6.303 4.350 3.936 4.899 . 0 0 "[ . 1 . 2]" 1
351 1 20 TYR QD 1 31 GLU HA 4.228 2.130 6.327 4.706 4.307 5.038 . 0 0 "[ . 1 . 2]" 1
352 1 20 TYR QD 1 32 LYS HA 2.721 . 3.660 2.559 2.360 2.917 . 0 0 "[ . 1 . 2]" 1
353 1 20 TYR QD 1 33 PRO HD2 2.804 . 3.807 3.291 2.710 3.807 . 11 0 "[ . 1 . 2]" 1
354 1 20 TYR QD 1 33 PRO HD3 3.760 2.022 5.499 2.682 2.176 3.447 . 0 0 "[ . 1 . 2]" 1
355 1 20 TYR QD 1 33 PRO HG2 4.508 2.194 6.823 4.741 3.987 5.250 . 0 0 "[ . 1 . 2]" 1
356 1 20 TYR QD 1 33 PRO HG3 4.336 2.155 6.518 4.249 3.779 4.795 . 0 0 "[ . 1 . 2]" 1
357 1 20 TYR QD 1 36 LEU MD1 3.913 2.057 5.769 3.504 2.474 5.159 . 0 0 "[ . 1 . 2]" 1
358 1 20 TYR QD 1 36 LEU MD2 3.746 2.018 5.474 3.865 3.051 4.553 . 0 0 "[ . 1 . 2]" 1
359 1 20 TYR QE 1 21 TYR H 4.567 2.208 6.926 6.133 6.014 6.344 . 0 0 "[ . 1 . 2]" 1
360 1 20 TYR QE 1 29 THR MG 3.801 2.031 5.570 4.891 4.584 5.495 . 0 0 "[ . 1 . 2]" 1
361 1 20 TYR QE 1 30 TRP HA 3.859 2.044 5.674 5.620 4.892 5.686 0.012 1 0 "[ . 1 . 2]" 1
362 1 20 TYR QE 1 31 GLU HA 3.920 2.058 5.782 4.682 3.933 5.307 . 0 0 "[ . 1 . 2]" 1
363 1 20 TYR QE 1 32 LYS HA 3.045 . 4.233 2.349 1.936 2.671 . 0 0 "[ . 1 . 2]" 1
364 1 20 TYR QE 1 32 LYS HB3 4.041 2.086 5.995 4.032 3.576 4.319 . 0 0 "[ . 1 . 2]" 1
365 1 20 TYR QE 1 32 LYS HD2 3.847 2.042 5.652 4.497 2.798 5.428 . 0 0 "[ . 1 . 2]" 1
366 1 20 TYR QE 1 32 LYS HE2 3.700 2.008 5.391 4.276 3.257 5.396 0.004 19 0 "[ . 1 . 2]" 1
367 1 20 TYR QE 1 32 LYS HG3 3.805 2.032 5.577 2.785 2.110 3.284 . 0 0 "[ . 1 . 2]" 1
368 1 20 TYR QE 1 33 PRO HD2 3.192 . 4.494 3.553 2.962 3.990 . 0 0 "[ . 1 . 2]" 1
369 1 20 TYR QE 1 33 PRO HD3 3.853 2.043 5.663 3.939 3.229 4.634 . 0 0 "[ . 1 . 2]" 1
370 1 20 TYR QE 1 33 PRO HG3 4.373 2.163 6.583 5.491 4.929 6.100 . 0 0 "[ . 1 . 2]" 1
371 1 20 TYR QE 1 36 LEU HB2 4.215 2.127 6.303 5.047 4.376 6.310 0.006 14 0 "[ . 1 . 2]" 1
372 1 20 TYR QE 1 36 LEU HB3 4.373 2.163 6.583 4.556 3.987 5.400 . 0 0 "[ . 1 . 2]" 1
373 1 20 TYR QE 1 36 LEU MD1 3.769 2.024 5.515 3.787 2.835 5.521 0.007 18 0 "[ . 1 . 2]" 1
374 1 20 TYR QE 1 36 LEU MD2 3.832 2.038 5.626 3.544 2.830 4.282 . 0 0 "[ . 1 . 2]" 1
375 1 21 TYR HA 1 22 ASN H 2.510 . 3.286 2.180 2.161 2.194 . 0 0 "[ . 1 . 2]" 1
376 1 21 TYR HA 1 22 ASN HB2 3.935 2.062 5.807 4.823 4.756 4.868 . 0 0 "[ . 1 . 2]" 1
377 1 21 TYR HA 1 22 ASN HB3 4.153 2.112 6.194 4.379 4.314 4.418 . 0 0 "[ . 1 . 2]" 1
378 1 21 TYR HA 1 28 SER HA 3.662 . 5.326 2.890 2.625 3.143 . 0 0 "[ . 1 . 2]" 1
379 1 21 TYR HB2 1 22 ASN H 4.109 2.102 6.116 4.473 4.420 4.503 . 0 0 "[ . 1 . 2]" 1
380 1 21 TYR HB3 1 22 ASN H 3.816 2.035 5.598 4.325 4.280 4.368 . 0 0 "[ . 1 . 2]" 1
381 1 21 TYR HB3 1 28 SER HA 3.965 2.069 5.861 5.148 4.962 5.413 . 0 0 "[ . 1 . 2]" 1
382 1 21 TYR QD 1 22 ASN H 3.690 2.005 5.375 3.970 3.855 4.055 . 0 0 "[ . 1 . 2]" 1
383 1 21 TYR QD 1 23 ASN H 4.257 2.136 6.377 5.173 4.844 5.359 . 0 0 "[ . 1 . 2]" 1
384 1 21 TYR QD 1 23 ASN HA 3.645 . 5.294 3.912 3.522 4.190 . 0 0 "[ . 1 . 2]" 1
385 1 21 TYR QD 1 23 ASN HB2 3.615 . 5.242 5.111 4.916 5.244 0.002 15 0 "[ . 1 . 2]" 1
386 1 21 TYR QD 1 23 ASN HB3 3.724 2.013 5.435 3.779 3.590 3.935 . 0 0 "[ . 1 . 2]" 1
387 1 21 TYR QD 1 28 SER HA 3.690 2.005 5.375 2.980 2.757 3.174 . 0 0 "[ . 1 . 2]" 1
388 1 21 TYR QD 1 28 SER HB2 3.360 . 4.791 3.965 3.540 4.217 . 0 0 "[ . 1 . 2]" 1
389 1 21 TYR QD 1 28 SER HB3 3.232 . 4.565 2.478 2.141 2.836 . 0 0 "[ . 1 . 2]" 1
390 1 21 TYR QE 1 23 ASN H 4.354 2.159 6.549 5.917 5.596 6.139 . 0 0 "[ . 1 . 2]" 1
391 1 21 TYR QE 1 23 ASN HA 2.913 . 3.999 3.558 3.248 3.819 . 0 0 "[ . 1 . 2]" 1
392 1 21 TYR QE 1 23 ASN HB2 3.552 . 5.130 4.958 4.577 5.134 0.004 11 0 "[ . 1 . 2]" 1
393 1 21 TYR QE 1 23 ASN HB3 3.559 . 5.144 4.387 4.012 4.611 . 0 0 "[ . 1 . 2]" 1
394 1 21 TYR QE 1 26 LEU H 4.271 2.140 6.403 5.307 5.012 5.504 . 0 0 "[ . 1 . 2]" 1
395 1 21 TYR QE 1 26 LEU HA 3.346 . 4.767 3.781 3.518 3.991 . 0 0 "[ . 1 . 2]" 1
396 1 21 TYR QE 1 26 LEU HB2 4.142 2.110 6.174 3.255 3.012 3.507 . 0 0 "[ . 1 . 2]" 1
397 1 21 TYR QE 1 26 LEU HB3 3.853 2.043 5.663 3.221 2.830 3.613 . 0 0 "[ . 1 . 2]" 1
398 1 21 TYR QE 1 26 LEU MD1 4.336 2.155 6.518 3.964 3.653 4.494 . 0 0 "[ . 1 . 2]" 1
399 1 21 TYR QE 1 26 LEU MD2 3.847 2.042 5.652 4.314 3.901 4.725 . 0 0 "[ . 1 . 2]" 1
400 1 21 TYR QE 1 26 LEU HG 4.373 2.163 6.583 5.444 5.219 5.689 . 0 0 "[ . 1 . 2]" 1
401 1 21 TYR QE 1 28 SER H 4.435 2.177 6.692 5.085 4.670 5.343 . 0 0 "[ . 1 . 2]" 1
402 1 21 TYR QE 1 28 SER HB2 3.729 2.014 5.444 5.173 4.892 5.441 . 0 0 "[ . 1 . 2]" 1
403 1 21 TYR QE 1 28 SER HB3 3.920 2.058 5.782 3.459 3.218 3.738 . 0 0 "[ . 1 . 2]" 1
404 1 22 ASN H 1 26 LEU HA 4.131 2.107 6.154 3.422 3.379 3.468 . 0 0 "[ . 1 . 2]" 1
405 1 22 ASN H 1 28 SER HA 3.595 . 5.206 4.506 4.260 4.690 . 0 0 "[ . 1 . 2]" 1
406 1 22 ASN HA 1 23 ASN H 2.287 . 2.892 2.290 2.194 2.331 . 0 0 "[ . 1 . 2]" 1
407 1 22 ASN HA 1 27 TYR H 3.645 . 5.294 4.223 4.180 4.271 . 0 0 "[ . 1 . 2]" 1
408 1 22 ASN HA 1 27 TYR QD 3.853 2.043 5.663 3.751 3.714 3.795 . 0 0 "[ . 1 . 2]" 1
409 1 22 ASN HA 1 27 TYR QE 3.280 . 4.649 4.732 4.713 4.750 0.101 13 0 "[ . 1 . 2]" 1
410 1 22 ASN HB2 1 23 ASN H 4.177 2.118 6.236 3.633 3.605 3.658 . 0 0 "[ . 1 . 2]" 1
411 1 22 ASN HB2 1 25 THR H 3.719 2.012 5.426 5.254 5.029 5.430 0.004 7 0 "[ . 1 . 2]" 1
412 1 22 ASN HB2 1 26 LEU H 3.611 . 5.234 5.252 5.240 5.262 0.028 6 0 "[ . 1 . 2]" 1
413 1 22 ASN HB2 1 27 TYR H 3.192 . 4.494 4.326 4.209 4.447 . 0 0 "[ . 1 . 2]" 1
414 1 22 ASN HB2 1 27 TYR HB2 3.805 2.032 5.577 3.791 3.765 3.808 . 0 0 "[ . 1 . 2]" 1
415 1 22 ASN HB2 1 27 TYR HB3 3.636 . 5.279 5.330 5.326 5.338 0.059 1 0 "[ . 1 . 2]" 1
416 1 22 ASN HB2 1 27 TYR QD 4.079 2.095 6.062 2.889 2.656 3.060 . 0 0 "[ . 1 . 2]" 1
417 1 22 ASN HB2 1 27 TYR QE 4.319 2.151 6.487 3.611 3.431 3.763 . 0 0 "[ . 1 . 2]" 1
418 1 22 ASN HB3 1 23 ASN H 3.997 2.076 5.918 3.987 3.928 4.042 . 0 0 "[ . 1 . 2]" 1
419 1 22 ASN HB3 1 25 THR H 4.014 2.080 5.948 4.339 4.204 4.489 . 0 0 "[ . 1 . 2]" 1
420 1 22 ASN HB3 1 26 LEU H 4.131 2.107 6.154 4.032 3.999 4.079 . 0 0 "[ . 1 . 2]" 1
421 1 22 ASN HD21 1 25 THR MG 4.056 2.090 6.023 6.040 6.032 6.050 0.027 7 0 "[ . 1 . 2]" 1
422 1 22 ASN HD22 1 25 THR MG 4.297 2.146 6.449 5.440 5.124 5.620 . 0 0 "[ . 1 . 2]" 1
423 1 23 ASN H 1 24 ARG H 2.792 . 3.662 2.174 2.017 2.281 . 0 0 "[ . 1 . 2]" 1
424 1 23 ASN H 1 25 THR H 4.050 2.088 6.012 3.861 3.734 4.277 . 0 0 "[ . 1 . 2]" 1
425 1 23 ASN HA 1 24 ARG H 3.465 . 4.976 3.299 3.229 3.361 . 0 0 "[ . 1 . 2]" 1
426 1 23 ASN HA 1 26 LEU MD2 3.771 2.024 5.518 4.172 3.919 4.512 . 0 0 "[ . 1 . 2]" 1
427 1 23 ASN HB2 1 24 ARG H 3.519 . 5.072 4.269 4.205 4.339 . 0 0 "[ . 1 . 2]" 1
428 1 23 ASN HB2 1 25 THR H 4.392 2.167 6.617 5.816 5.411 6.452 . 0 0 "[ . 1 . 2]" 1
429 1 23 ASN HB2 1 26 LEU H 4.153 2.112 6.194 5.616 5.534 5.766 . 0 0 "[ . 1 . 2]" 1
430 1 23 ASN HB3 1 24 ARG H 3.505 . 5.048 4.426 4.298 4.488 . 0 0 "[ . 1 . 2]" 1
431 1 23 ASN HB3 1 26 LEU H 4.202 2.124 6.280 5.536 5.444 5.762 . 0 0 "[ . 1 . 2]" 1
432 1 23 ASN HB3 1 26 LEU HB3 3.805 2.032 5.577 5.609 5.601 5.615 0.038 18 0 "[ . 1 . 2]" 1
433 1 23 ASN HD21 1 24 ARG H 4.014 2.080 5.948 4.727 4.519 4.877 . 0 0 "[ . 1 . 2]" 1
434 1 23 ASN HD22 1 24 ARG H 4.202 2.124 6.280 4.790 4.553 4.936 . 0 0 "[ . 1 . 2]" 1
435 1 24 ARG H 1 25 THR H 2.566 . 3.385 2.132 2.008 2.491 . 0 0 "[ . 1 . 2]" 1
436 1 24 ARG H 1 25 THR MG 4.020 2.082 5.959 5.498 5.307 5.604 . 0 0 "[ . 1 . 2]" 1
437 1 24 ARG H 1 26 LEU H 3.519 . 5.072 3.044 2.860 3.181 . 0 0 "[ . 1 . 2]" 1
438 1 24 ARG H 1 26 LEU HA 4.228 2.130 6.327 4.589 4.197 4.776 . 0 0 "[ . 1 . 2]" 1
439 1 24 ARG H 1 26 LEU MD2 4.354 2.159 6.549 5.084 4.519 6.059 . 0 0 "[ . 1 . 2]" 1
440 1 24 ARG HA 1 25 THR H 3.534 . 5.098 3.452 3.372 3.524 . 0 0 "[ . 1 . 2]" 1
441 1 24 ARG HA 1 26 LEU MD2 4.102 2.101 6.104 4.689 4.036 5.838 . 0 0 "[ . 1 . 2]" 1
442 1 24 ARG HB2 1 25 THR H 3.111 . 4.350 3.905 3.532 4.134 . 0 0 "[ . 1 . 2]" 1
443 1 24 ARG HB2 1 25 THR HA 4.050 2.088 6.012 4.978 4.619 5.699 . 0 0 "[ . 1 . 2]" 1
444 1 24 ARG HB2 1 25 THR MG 3.729 2.014 5.444 5.453 5.445 5.463 0.020 20 0 "[ . 1 . 2]" 1
445 1 24 ARG HB3 1 25 THR H 3.782 2.027 5.537 3.635 2.025 4.142 0.001 19 0 "[ . 1 . 2]" 1
446 1 24 ARG HG2 1 25 THR H 3.270 . 4.631 3.136 2.831 3.768 . 0 0 "[ . 1 . 2]" 1
447 1 24 ARG HG2 1 25 THR HA 3.920 2.058 5.782 4.894 3.474 5.477 . 0 0 "[ . 1 . 2]" 1
448 1 24 ARG HG2 1 25 THR MG 4.032 2.084 5.980 4.784 3.001 5.594 . 0 0 "[ . 1 . 2]" 1
449 1 24 ARG HG3 1 25 THR H 3.853 2.043 5.663 2.910 2.051 4.559 . 0 0 "[ . 1 . 2]" 1
450 1 24 ARG HG3 1 25 THR HA 3.603 . 5.220 4.066 3.577 4.977 . 0 0 "[ . 1 . 2]" 1
451 1 24 ARG HG3 1 25 THR MG 3.771 2.024 5.518 4.172 3.850 4.659 . 0 0 "[ . 1 . 2]" 1
452 1 24 ARG HG3 1 27 TYR QE 4.242 2.133 6.352 4.055 2.975 6.366 0.014 11 0 "[ . 1 . 2]" 1
453 1 25 THR H 1 26 LEU HA 3.681 2.003 5.358 3.896 3.664 4.252 . 0 0 "[ . 1 . 2]" 1
454 1 25 THR H 1 26 LEU MD2 4.319 2.151 6.487 4.107 3.474 5.401 . 0 0 "[ . 1 . 2]" 1
455 1 25 THR HA 1 26 LEU H 3.409 . 4.877 3.323 3.248 3.379 . 0 0 "[ . 1 . 2]" 1
456 1 25 THR HA 1 26 LEU MD1 4.146 2.111 6.181 4.907 4.334 5.233 . 0 0 "[ . 1 . 2]" 1
457 1 25 THR HA 1 26 LEU MD2 4.153 2.112 6.194 3.375 2.739 4.528 . 0 0 "[ . 1 . 2]" 1
458 1 25 THR HA 1 26 LEU HG 3.709 2.010 5.409 3.745 3.238 4.074 . 0 0 "[ . 1 . 2]" 1
459 1 25 THR HB 1 26 LEU H 3.771 2.024 5.518 3.349 3.155 3.679 . 0 0 "[ . 1 . 2]" 1
460 1 25 THR HB 1 26 LEU MD1 4.601 2.216 6.985 5.932 4.861 6.467 . 0 0 "[ . 1 . 2]" 1
461 1 25 THR HB 1 26 LEU MD2 4.228 2.130 6.327 5.145 4.608 6.126 . 0 0 "[ . 1 . 2]" 1
462 1 25 THR HB 1 27 TYR H 3.853 2.043 5.663 4.885 4.444 5.173 . 0 0 "[ . 1 . 2]" 1
463 1 25 THR HB 1 27 TYR HB2 3.920 2.058 5.782 5.609 5.343 5.793 0.012 19 0 "[ . 1 . 2]" 1
464 1 25 THR HB 1 27 TYR QD 3.724 2.013 5.435 3.603 3.353 3.934 . 0 0 "[ . 1 . 2]" 1
465 1 25 THR HB 1 27 TYR QE 4.109 2.102 6.116 2.329 2.096 2.983 0.006 7 0 "[ . 1 . 2]" 1
466 1 25 THR MG 1 26 LEU H 4.177 2.118 6.236 4.140 3.958 4.395 . 0 0 "[ . 1 . 2]" 1
467 1 25 THR MG 1 27 TYR H 4.342 2.156 6.528 5.500 4.989 6.269 . 0 0 "[ . 1 . 2]" 1
468 1 25 THR MG 1 27 TYR QD 4.420 2.174 6.666 4.310 3.981 4.938 . 0 0 "[ . 1 . 2]" 1
469 1 25 THR MG 1 27 TYR QE 4.547 2.203 6.890 3.318 3.121 3.760 . 0 0 "[ . 1 . 2]" 1
470 1 26 LEU H 1 27 TYR H 3.111 . 4.350 3.378 3.167 3.571 . 0 0 "[ . 1 . 2]" 1
471 1 26 LEU HA 1 27 TYR H 3.184 . 4.479 1.974 1.941 2.029 . 0 0 "[ . 1 . 2]" 1
472 1 26 LEU HB2 1 27 TYR H 4.228 2.130 6.327 3.767 3.605 3.906 . 0 0 "[ . 1 . 2]" 1
473 1 26 LEU HB3 1 27 TYR H 4.228 2.130 6.327 4.134 4.044 4.246 . 0 0 "[ . 1 . 2]" 1
474 1 26 LEU MD1 1 27 TYR H 4.435 2.177 6.692 4.933 4.455 5.275 . 0 0 "[ . 1 . 2]" 1
475 1 26 LEU MD2 1 27 TYR H 4.266 2.138 6.394 5.139 4.930 5.456 . 0 0 "[ . 1 . 2]" 1
476 1 26 LEU HG 1 27 TYR H 4.153 2.112 6.194 4.949 4.831 5.103 . 0 0 "[ . 1 . 2]" 1
477 1 27 TYR HA 1 28 SER H 2.294 . 2.904 2.278 2.233 2.335 . 0 0 "[ . 1 . 2]" 1
478 1 27 TYR HB2 1 28 SER H 3.505 . 5.048 3.945 3.835 4.131 . 0 0 "[ . 1 . 2]" 1
479 1 27 TYR HB3 1 28 SER H 3.595 . 5.206 3.135 2.994 3.416 . 0 0 "[ . 1 . 2]" 1
480 1 27 TYR QD 1 28 SER H 3.840 2.040 5.641 4.540 4.390 4.679 . 0 0 "[ . 1 . 2]" 1
481 1 27 TYR QD 1 29 THR MG 4.173 2.117 6.229 4.282 4.238 4.405 . 0 0 "[ . 1 . 2]" 1
482 1 27 TYR QE 1 29 THR MG 3.845 2.041 5.648 5.644 5.543 5.661 0.013 17 0 "[ . 1 . 2]" 1
483 1 28 SER HA 1 29 THR H 2.722 . 3.662 2.161 2.120 2.187 . 0 0 "[ . 1 . 2]" 1
484 1 28 SER HB2 1 29 THR H 3.380 . 4.826 3.863 3.766 3.949 . 0 0 "[ . 1 . 2]" 1
485 1 28 SER HB2 1 30 TRP H 3.681 2.003 5.358 5.372 5.362 5.380 0.022 15 0 "[ . 1 . 2]" 1
486 1 28 SER HB3 1 29 THR H 3.118 . 4.364 4.356 4.303 4.372 0.009 10 0 "[ . 1 . 2]" 1
487 1 29 THR HA 1 30 TRP H 2.270 . 2.862 2.091 2.056 2.150 . 0 0 "[ . 1 . 2]" 1
488 1 29 THR HA 1 30 TRP HD1 3.374 . 4.816 3.727 3.505 4.096 . 0 0 "[ . 1 . 2]" 1
489 1 29 THR HA 1 30 TRP HE1 4.177 2.118 6.236 5.171 4.920 5.591 . 0 0 "[ . 1 . 2]" 1
490 1 29 THR HA 1 31 GLU H 3.465 . 4.976 3.364 3.226 3.508 . 0 0 "[ . 1 . 2]" 1
491 1 29 THR HB 1 30 TRP H 3.421 . 4.899 4.163 4.100 4.262 . 0 0 "[ . 1 . 2]" 1
492 1 29 THR HB 1 31 GLU H 3.771 2.024 5.518 4.053 3.579 4.242 . 0 0 "[ . 1 . 2]" 1
493 1 29 THR MG 1 30 TRP H 4.069 2.093 6.045 4.073 3.164 4.189 . 0 0 "[ . 1 . 2]" 1
494 1 29 THR MG 1 31 GLU H 3.522 . 5.077 3.313 1.971 3.654 . 0 0 "[ . 1 . 2]" 1
495 1 30 TRP H 1 31 GLU H 2.681 . 3.590 2.501 2.283 2.625 . 0 0 "[ . 1 . 2]" 1
496 1 30 TRP H 1 31 GLU HB3 3.729 2.014 5.444 4.821 4.382 5.319 . 0 0 "[ . 1 . 2]" 1
497 1 30 TRP HA 1 31 GLU H 3.485 . 5.012 3.286 3.223 3.390 . 0 0 "[ . 1 . 2]" 1
498 1 30 TRP HA 1 31 GLU HB2 4.228 2.130 6.327 5.603 5.263 6.354 0.026 8 0 "[ . 1 . 2]" 1
499 1 30 TRP HB2 1 31 GLU H 3.906 2.055 5.757 3.455 3.133 3.587 . 0 0 "[ . 1 . 2]" 1
500 1 30 TRP HB3 1 31 GLU H 3.595 . 5.206 4.300 4.145 4.390 . 0 0 "[ . 1 . 2]" 1
501 1 30 TRP HB3 1 31 GLU HA 4.089 2.097 6.080 4.847 4.693 4.970 . 0 0 "[ . 1 . 2]" 1
502 1 31 GLU HA 1 32 LYS H 1.918 . 2.418 2.215 2.134 2.301 . 0 0 "[ . 1 . 2]" 1
503 1 31 GLU HB2 1 32 LYS H 3.409 . 4.877 3.966 2.674 4.356 . 0 0 "[ . 1 . 2]" 1
504 1 31 GLU HB3 1 32 LYS H 3.485 . 5.012 3.867 3.336 4.222 . 0 0 "[ . 1 . 2]" 1
505 1 31 GLU HG2 1 32 LYS H 3.587 . 5.192 3.807 2.659 5.066 . 0 0 "[ . 1 . 2]" 1
506 1 31 GLU HG3 1 32 LYS H 3.750 2.019 5.480 3.431 2.464 4.674 . 0 0 "[ . 1 . 2]" 1
507 1 32 LYS HA 1 33 PRO HD3 2.464 . 3.205 2.259 1.791 2.619 . 0 0 "[ . 1 . 2]" 1
508 1 32 LYS HA 1 36 LEU HB2 3.853 2.043 5.663 4.332 3.809 5.544 . 0 0 "[ . 1 . 2]" 1
509 1 32 LYS HA 1 36 LEU HB3 3.729 2.014 5.444 4.698 3.985 5.328 . 0 0 "[ . 1 . 2]" 1
510 1 32 LYS HA 1 36 LEU MD1 4.257 2.136 6.377 4.387 3.378 6.378 0.001 14 0 "[ . 1 . 2]" 1
511 1 32 LYS HA 1 36 LEU MD2 3.935 2.062 5.807 5.145 3.463 5.820 0.013 13 0 "[ . 1 . 2]" 1
512 1 32 LYS HB2 1 33 PRO HD2 3.048 . 4.239 4.110 3.814 4.269 0.030 1 0 "[ . 1 . 2]" 1
513 1 32 LYS HB3 1 33 PRO HD3 3.816 2.035 5.598 4.959 4.550 5.225 . 0 0 "[ . 1 . 2]" 1
514 1 32 LYS HB3 1 37 LYS HD2 3.840 2.040 5.641 4.580 2.822 5.646 0.005 15 0 "[ . 1 . 2]" 1
515 1 32 LYS HG2 1 33 PRO HD3 3.719 2.012 5.426 4.301 3.900 4.717 . 0 0 "[ . 1 . 2]" 1
516 1 32 LYS HG2 1 36 LEU HB2 3.965 2.069 5.861 3.131 2.121 4.357 . 0 0 "[ . 1 . 2]" 1
517 1 32 LYS HG2 1 36 LEU HB3 3.997 2.076 5.918 3.123 2.546 3.777 . 0 0 "[ . 1 . 2]" 1
518 1 32 LYS HG2 1 36 LEU MD2 3.820 2.136 5.605 4.521 2.808 5.446 . 0 0 "[ . 1 . 2]" 1
519 1 32 LYS HG2 1 36 LEU HG 3.906 2.055 5.757 5.333 4.492 5.769 0.013 15 0 "[ . 1 . 2]" 1
520 1 32 LYS HG3 1 33 PRO HD2 3.645 . 5.294 2.672 2.196 3.039 . 0 0 "[ . 1 . 2]" 1
521 1 32 LYS HG3 1 33 PRO HD3 3.750 2.019 5.480 4.060 3.169 4.583 . 0 0 "[ . 1 . 2]" 1
522 1 32 LYS HG3 1 36 LEU HB2 4.069 2.093 6.045 3.443 2.659 4.749 . 0 0 "[ . 1 . 2]" 1
523 1 32 LYS HG3 1 36 LEU HB3 3.965 2.069 5.861 2.997 2.550 3.447 . 0 0 "[ . 1 . 2]" 1
524 1 32 LYS HG3 1 36 LEU MD2 4.319 2.151 6.487 3.960 2.311 4.783 . 0 0 "[ . 1 . 2]" 1
525 1 32 LYS HG3 1 36 LEU HG 3.879 2.049 5.708 5.265 4.181 5.720 0.012 1 0 "[ . 1 . 2]" 1
526 1 33 PRO HA 1 34 GLN H 2.003 . 2.503 2.330 2.193 2.466 . 0 0 "[ . 1 . 2]" 1
527 1 33 PRO HA 1 34 GLN HB2 3.840 2.040 5.641 4.690 4.143 5.105 . 0 0 "[ . 1 . 2]" 1
528 1 33 PRO HA 1 34 GLN HB3 3.892 2.052 5.732 5.386 4.627 5.746 0.014 17 0 "[ . 1 . 2]" 1
529 1 33 PRO HA 1 35 GLU H 4.089 2.097 6.080 4.129 3.767 4.387 . 0 0 "[ . 1 . 2]" 1
530 1 33 PRO HB2 1 34 GLN H 3.440 . 4.931 2.889 2.341 3.687 . 0 0 "[ . 1 . 2]" 1
531 1 33 PRO HB3 1 34 GLN H 3.440 . 4.931 3.464 3.149 3.680 . 0 0 "[ . 1 . 2]" 1
532 1 33 PRO HB3 1 35 GLU H 3.681 2.003 5.358 4.096 3.082 4.446 . 0 0 "[ . 1 . 2]" 1
533 1 33 PRO HB3 1 35 GLU HG2 3.892 2.052 5.732 4.065 2.857 4.947 . 0 0 "[ . 1 . 2]" 1
534 1 33 PRO HB3 1 36 LEU H 3.828 2.037 5.619 4.766 3.762 5.197 . 0 0 "[ . 1 . 2]" 1
535 1 33 PRO HD2 1 36 LEU MD2 3.955 2.066 5.843 3.714 2.127 4.353 . 0 0 "[ . 1 . 2]" 1
536 1 33 PRO HD3 1 36 LEU MD2 3.750 2.019 5.480 4.875 3.125 5.498 0.018 2 0 "[ . 1 . 2]" 1
537 1 33 PRO HG2 1 36 LEU H 4.257 2.136 6.377 3.254 2.845 4.512 . 0 0 "[ . 1 . 2]" 1
538 1 33 PRO HG2 1 36 LEU MD2 4.194 2.122 6.265 3.438 2.114 4.273 0.007 9 0 "[ . 1 . 2]" 1
539 1 33 PRO HG3 1 36 LEU MD2 4.330 2.153 6.508 4.335 2.851 5.164 . 0 0 "[ . 1 . 2]" 1
540 1 34 GLN H 1 35 GLU H 3.563 . 5.150 2.609 2.422 2.739 . 0 0 "[ . 1 . 2]" 1
541 1 34 GLN HA 1 35 GLU H 3.280 . 4.649 3.462 3.395 3.498 . 0 0 "[ . 1 . 2]" 1
542 1 34 GLN HA 1 36 LEU H 3.950 2.065 5.834 3.705 3.537 3.859 . 0 0 "[ . 1 . 2]" 1
543 1 34 GLN HA 1 37 LYS H 3.750 2.019 5.480 3.517 2.920 3.845 . 0 0 "[ . 1 . 2]" 1
544 1 34 GLN HA 1 37 LYS HB3 3.628 . 5.264 4.210 2.446 4.955 . 0 0 "[ . 1 . 2]" 1
545 1 34 GLN HA 1 37 LYS HD2 3.150 . 4.420 3.622 2.467 4.429 0.009 1 0 "[ . 1 . 2]" 1
546 1 34 GLN HA 1 37 LYS HG2 3.662 . 5.326 3.135 1.995 5.330 0.004 15 0 "[ . 1 . 2]" 1
547 1 34 GLN HA 1 37 LYS HG3 4.089 2.097 6.080 3.329 2.209 5.585 . 0 0 "[ . 1 . 2]" 1
548 1 34 GLN HB2 1 35 GLU H 3.380 . 4.826 3.441 2.915 4.148 . 0 0 "[ . 1 . 2]" 1
549 1 34 GLN HB3 1 35 GLU H 3.107 . 4.343 3.607 2.857 4.218 . 0 0 "[ . 1 . 2]" 1
550 1 34 GLN HE22 1 37 LYS HG2 4.228 2.130 6.327 5.016 2.547 6.329 0.002 15 0 "[ . 1 . 2]" 1
551 1 34 GLN HG2 1 35 GLU H 3.681 2.003 5.358 4.735 4.044 5.359 0.001 17 0 "[ . 1 . 2]" 1
552 1 35 GLU H 1 36 LEU H 3.519 . 5.072 2.442 2.342 2.566 . 0 0 "[ . 1 . 2]" 1
553 1 35 GLU HA 1 36 LEU H 3.310 . 4.702 3.309 3.225 3.399 . 0 0 "[ . 1 . 2]" 1
554 1 35 GLU HA 1 36 LEU HA 4.153 2.112 6.194 4.516 4.448 4.605 . 0 0 "[ . 1 . 2]" 1
555 1 35 GLU HA 1 37 LYS H 4.032 2.084 5.980 3.747 3.434 4.372 . 0 0 "[ . 1 . 2]" 1
556 1 35 GLU HB2 1 36 LEU H 4.014 2.080 5.948 4.103 3.945 4.234 . 0 0 "[ . 1 . 2]" 1
557 1 35 GLU HB3 1 36 LEU H 3.950 2.065 5.834 4.456 4.338 4.536 . 0 0 "[ . 1 . 2]" 1
558 1 35 GLU HG2 1 36 LEU H 3.645 . 5.294 3.015 2.744 3.352 . 0 0 "[ . 1 . 2]" 1
559 1 35 GLU HG2 1 36 LEU MD1 4.185 2.120 6.251 3.554 2.105 4.659 0.015 9 0 "[ . 1 . 2]" 1
560 1 35 GLU HG2 1 36 LEU MD2 4.420 2.174 6.666 4.568 3.936 6.020 . 0 0 "[ . 1 . 2]" 1
561 1 35 GLU HG3 1 36 LEU H 3.690 2.005 5.375 4.648 4.401 4.929 . 0 0 "[ . 1 . 2]" 1
562 1 36 LEU H 1 37 LYS H 2.517 . 3.299 2.136 1.928 2.338 . 0 0 "[ . 1 . 2]" 1
563 1 36 LEU HA 1 37 LYS H 2.892 . 3.963 3.234 3.003 3.438 . 0 0 "[ . 1 . 2]" 1
564 1 36 LEU HB2 1 37 LYS H 3.603 . 5.220 3.718 3.145 4.068 . 0 0 "[ . 1 . 2]" 1
565 1 36 LEU HB3 1 37 LYS H 3.397 . 4.857 4.005 3.358 4.302 . 0 0 "[ . 1 . 2]" 1
566 1 36 LEU MD1 1 37 LYS H 4.518 2.196 6.839 5.017 4.173 5.460 . 0 0 "[ . 1 . 2]" 1
567 1 36 LEU MD2 1 37 LYS H 4.466 2.184 6.747 4.906 4.339 5.548 . 0 0 "[ . 1 . 2]" 1
568 1 36 LEU HG 1 37 LYS H 4.319 2.151 6.487 5.013 4.740 5.295 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:21:32 AM GMT (wattos1)