NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653065 |
6trm   |
34468 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6trm
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 1351
_Distance_constraint_stats_list.Viol_count 2309
_Distance_constraint_stats_list.Viol_total 2613.415
_Distance_constraint_stats_list.Viol_max 0.884
_Distance_constraint_stats_list.Viol_rms 0.0277
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0566
_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 ASP 9.555 0.884 19 5 "[ . * 1 . **+-]"
1 2 THR 11.034 0.884 19 2 "[ . - 1 . +2]"
1 3 CYS 2.562 0.118 15 0 "[ . 1 . 2]"
1 4 GLY 2.819 0.119 15 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 3.265 0.117 6 0 "[ . 1 . 2]"
1 8 GLY 4.539 0.094 8 0 "[ . 1 . 2]"
1 9 VAL 3.488 0.133 14 0 "[ . 1 . 2]"
1 10 ASP 2.903 0.156 15 0 "[ . 1 . 2]"
1 11 GLN 11.434 0.240 13 0 "[ . 1 . 2]"
1 12 ARG 7.387 0.336 6 0 "[ . 1 . 2]"
1 13 ARG 7.515 0.123 10 0 "[ . 1 . 2]"
1 14 THR 6.829 0.095 1 0 "[ . 1 . 2]"
1 15 ASN 7.749 0.275 2 0 "[ . 1 . 2]"
1 16 SER 2.179 0.115 14 0 "[ . 1 . 2]"
1 17 PRO 2.497 0.786 18 3 "[ . 1 . *+ -]"
1 18 CYS 1.434 0.095 12 0 "[ . 1 . 2]"
1 19 GLN 4.385 0.300 17 0 "[ . 1 . 2]"
1 20 ALA 0.235 0.026 15 0 "[ . 1 . 2]"
1 21 SER 5.304 0.306 2 0 "[ . 1 . 2]"
1 22 ASN 0.610 0.096 9 0 "[ . 1 . 2]"
1 23 GLY 0.391 0.086 9 0 "[ . 1 . 2]"
1 24 ASP 0.772 0.258 16 0 "[ . 1 . 2]"
1 25 ARG 7.501 0.425 11 0 "[ . 1 . 2]"
1 26 HIS 1.716 0.425 11 0 "[ . 1 . 2]"
1 27 PHE 5.365 0.127 15 0 "[ . 1 . 2]"
1 28 CYS 4.062 0.152 13 0 "[ . 1 . 2]"
1 29 GLY 0.862 0.080 10 0 "[ . 1 . 2]"
1 30 CYS 2.331 0.203 12 0 "[ . 1 . 2]"
1 31 ASP 2.093 0.498 19 0 "[ . 1 . 2]"
1 32 ARG 1.979 0.097 12 0 "[ . 1 . 2]"
1 33 THR 2.926 0.498 19 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 4.823 0.533 17 1 "[ . 1 . + 2]"
1 36 VAL 5.991 0.306 1 0 "[ . 1 . 2]"
1 37 GLU 4.379 0.530 20 2 "[- . 1 . +]"
1 38 CYS 4.428 0.092 9 0 "[ . 1 . 2]"
1 39 LYS 10.122 0.530 20 2 "[- . 1 . +]"
1 40 GLY 1.209 0.162 18 0 "[ . 1 . 2]"
1 41 GLY 1.088 0.032 13 0 "[ . 1 . 2]"
1 42 LYS 4.923 0.275 2 0 "[ . 1 . 2]"
1 43 TRP 5.445 0.336 6 0 "[ . 1 . 2]"
1 44 THR 7.309 0.311 9 0 "[ . 1 . 2]"
1 45 GLU 5.854 0.346 1 0 "[ . 1 . 2]"
1 46 ILE 7.740 0.346 1 0 "[ . 1 . 2]"
1 47 GLN 5.693 0.569 10 2 "[ . + . -]"
1 48 ASP 2.575 0.569 10 2 "[ . + . -]"
1 49 CYS 4.080 0.533 17 1 "[ . 1 . + 2]"
1 50 GLY 0.051 0.051 12 0 "[ . 1 . 2]"
1 51 GLY 0.558 0.055 1 0 "[ . 1 . 2]"
1 52 ALA 1.066 0.166 12 0 "[ . 1 . 2]"
1 53 SER 1.478 0.229 12 0 "[ . 1 . 2]"
1 54 CYS 0.138 0.026 12 0 "[ . 1 . 2]"
1 55 ARG 6.547 0.240 13 0 "[ . 1 . 2]"
1 56 GLY 5.732 0.323 9 0 "[ . 1 . 2]"
1 57 VAL 4.395 0.428 14 0 "[ . 1 . 2]"
1 58 SER 4.147 0.428 14 0 "[ . 1 . 2]"
1 59 GLN 1.538 0.379 1 0 "[ . 1 . 2]"
1 60 GLY 5.143 0.160 7 0 "[ . 1 . 2]"
1 61 GLY 1.793 0.088 16 0 "[ . 1 . 2]"
1 62 ALA 0.556 0.071 9 0 "[ . 1 . 2]"
1 63 ARG 3.131 0.323 9 0 "[ . 1 . 2]"
1 64 CYS 2.423 0.277 10 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 ASP HA 1 2 THR H . . 3.110 2.880 2.140 3.152 0.042 9 0 "[ . 1 . 2]" 1
2 1 1 ASP HB2 1 2 THR H . . 3.710 3.944 3.791 4.594 0.884 19 2 "[ . - 1 . +2]" 1
3 1 1 ASP HB2 1 13 ARG HB2 . . 4.840 4.697 3.364 4.963 0.123 10 0 "[ . 1 . 2]" 1
4 1 1 ASP HB2 1 13 ARG HB3 . . 4.940 3.977 2.626 4.470 . 0 0 "[ . 1 . 2]" 1
5 1 1 ASP HB2 1 16 SER QB . . 4.140 2.939 2.302 3.154 . 0 0 "[ . 1 . 2]" 1
6 1 1 ASP HB2 1 17 PRO HD2 . . 5.460 3.446 2.391 3.929 . 0 0 "[ . 1 . 2]" 1
7 1 1 ASP HB2 1 17 PRO HD3 . . 5.500 5.043 3.866 5.380 . 0 0 "[ . 1 . 2]" 1
8 1 1 ASP HB2 1 17 PRO HG3 . . 5.490 5.355 4.533 6.276 0.786 18 3 "[ . 1 . *+ -]" 1
9 1 1 ASP HB3 1 2 THR H . . 4.520 4.375 3.717 4.576 0.056 4 0 "[ . 1 . 2]" 1
10 1 1 ASP HB3 1 4 GLY H . . 5.500 4.286 3.097 5.111 . 0 0 "[ . 1 . 2]" 1
11 1 1 ASP HB3 1 13 ARG HB2 . . 4.830 4.673 3.458 4.897 0.067 14 0 "[ . 1 . 2]" 1
12 1 1 ASP HB3 1 13 ARG HB3 . . 4.310 4.162 2.995 4.327 0.017 1 0 "[ . 1 . 2]" 1
13 1 1 ASP HB3 1 16 SER QB . . 4.090 3.574 2.989 3.903 . 0 0 "[ . 1 . 2]" 1
14 1 2 THR H 1 2 THR MG . . 3.460 3.016 2.918 3.123 . 0 0 "[ . 1 . 2]" 1
15 1 2 THR H 1 3 CYS H . . 5.500 2.542 2.357 2.730 . 0 0 "[ . 1 . 2]" 1
16 1 2 THR H 1 4 GLY H . . 5.400 3.613 3.304 3.855 . 0 0 "[ . 1 . 2]" 1
17 1 2 THR H 1 7 TYR HB2 . . 4.950 5.033 4.985 5.067 0.117 6 0 "[ . 1 . 2]" 1
18 1 2 THR HA 1 2 THR HB . . 3.000 2.696 2.610 2.730 . 0 0 "[ . 1 . 2]" 1
19 1 2 THR HA 1 2 THR MG . . 3.300 2.027 1.958 2.208 . 0 0 "[ . 1 . 2]" 1
20 1 2 THR HA 1 3 CYS H . . 3.440 3.483 3.461 3.510 0.070 18 0 "[ . 1 . 2]" 1
21 1 2 THR HA 1 4 GLY H . . 4.800 4.820 4.786 4.891 0.091 20 0 "[ . 1 . 2]" 1
22 1 2 THR HA 1 12 ARG HA . . 3.080 3.051 2.897 3.155 0.075 13 0 "[ . 1 . 2]" 1
23 1 2 THR HA 1 12 ARG HB2 . . 5.500 5.516 5.385 5.565 0.065 9 0 "[ . 1 . 2]" 1
24 1 2 THR HA 1 12 ARG HB3 . . 4.240 4.158 4.046 4.224 . 0 0 "[ . 1 . 2]" 1
25 1 2 THR HA 1 12 ARG HD2 . . 3.860 3.695 3.276 3.877 0.017 14 0 "[ . 1 . 2]" 1
26 1 2 THR HA 1 12 ARG HD3 . . 3.360 2.855 2.704 3.320 . 0 0 "[ . 1 . 2]" 1
27 1 2 THR HA 1 12 ARG HG2 . . 5.500 5.123 4.872 5.389 . 0 0 "[ . 1 . 2]" 1
28 1 2 THR HA 1 12 ARG HG3 . . 5.500 5.563 5.427 5.614 0.114 9 0 "[ . 1 . 2]" 1
29 1 2 THR HA 1 13 ARG H . . 3.780 2.629 2.472 2.765 . 0 0 "[ . 1 . 2]" 1
30 1 2 THR HA 1 43 TRP HE1 . . 5.500 4.887 4.176 5.118 . 0 0 "[ . 1 . 2]" 1
31 1 2 THR HB 1 3 CYS H . . 3.780 3.506 3.437 3.558 . 0 0 "[ . 1 . 2]" 1
32 1 2 THR HB 1 3 CYS HB2 . . 4.240 3.440 3.365 3.565 . 0 0 "[ . 1 . 2]" 1
33 1 2 THR HB 1 7 TYR HB2 . . 3.370 2.076 2.052 2.111 . 0 0 "[ . 1 . 2]" 1
34 1 2 THR HB 1 7 TYR QE . . 3.970 3.985 3.970 4.003 0.033 9 0 "[ . 1 . 2]" 1
35 1 2 THR HB 1 12 ARG HD3 . . 5.130 3.472 3.202 3.646 . 0 0 "[ . 1 . 2]" 1
36 1 2 THR HB 1 13 ARG H . . 4.890 4.512 4.391 4.689 . 0 0 "[ . 1 . 2]" 1
37 1 2 THR MG 1 3 CYS H . . 4.630 4.259 4.152 4.308 . 0 0 "[ . 1 . 2]" 1
38 1 2 THR MG 1 3 CYS HB2 . . 5.500 4.837 4.774 4.972 . 0 0 "[ . 1 . 2]" 1
39 1 2 THR MG 1 7 TYR HB2 . . 5.500 3.650 3.607 3.727 . 0 0 "[ . 1 . 2]" 1
40 1 2 THR MG 1 11 GLN H . . 5.500 5.213 5.035 5.521 0.021 20 0 "[ . 1 . 2]" 1
41 1 2 THR MG 1 12 ARG HA . . 4.490 3.186 2.978 3.690 . 0 0 "[ . 1 . 2]" 1
42 1 2 THR MG 1 12 ARG HB3 . . 5.500 4.256 3.954 4.820 . 0 0 "[ . 1 . 2]" 1
43 1 2 THR MG 1 12 ARG HD2 . . 4.030 2.935 2.239 3.451 . 0 0 "[ . 1 . 2]" 1
44 1 2 THR MG 1 12 ARG HD3 . . 4.160 2.051 1.905 2.546 . 0 0 "[ . 1 . 2]" 1
45 1 2 THR MG 1 12 ARG HG2 . . 5.500 3.798 3.444 4.504 . 0 0 "[ . 1 . 2]" 1
46 1 2 THR MG 1 12 ARG HG3 . . 5.500 4.433 4.189 5.066 . 0 0 "[ . 1 . 2]" 1
47 1 2 THR MG 1 43 TRP HE1 . . 5.500 4.198 3.997 4.610 . 0 0 "[ . 1 . 2]" 1
48 1 3 CYS H 1 3 CYS HB2 . . 3.910 3.368 3.318 3.406 . 0 0 "[ . 1 . 2]" 1
49 1 3 CYS H 1 3 CYS HB3 . . 3.170 3.216 3.189 3.256 0.086 8 0 "[ . 1 . 2]" 1
50 1 3 CYS H 1 4 GLY H . . 3.100 1.776 1.672 1.819 . 0 0 "[ . 1 . 2]" 1
51 1 3 CYS H 1 5 GLY H . . 4.980 2.905 2.860 3.013 . 0 0 "[ . 1 . 2]" 1
52 1 3 CYS H 1 7 TYR HB3 . . 5.240 2.944 2.852 3.035 . 0 0 "[ . 1 . 2]" 1
53 1 3 CYS H 1 13 ARG HB2 . . 3.800 3.481 3.246 3.610 . 0 0 "[ . 1 . 2]" 1
54 1 3 CYS HA 1 4 GLY H . . 3.550 2.995 2.971 3.040 . 0 0 "[ . 1 . 2]" 1
55 1 3 CYS HA 1 13 ARG H . . 4.690 4.441 4.214 4.567 . 0 0 "[ . 1 . 2]" 1
56 1 3 CYS HA 1 13 ARG HB2 . . 3.240 2.504 2.051 2.794 . 0 0 "[ . 1 . 2]" 1
57 1 3 CYS HA 1 13 ARG HB3 . . 5.390 4.225 3.795 4.460 . 0 0 "[ . 1 . 2]" 1
58 1 3 CYS HA 1 13 ARG QD . . 5.260 1.967 1.903 2.517 . 0 0 "[ . 1 . 2]" 1
59 1 3 CYS HA 1 13 ARG QG . . 5.050 3.763 2.921 3.974 . 0 0 "[ . 1 . 2]" 1
60 1 3 CYS HA 1 30 CYS HB2 . . 5.160 4.369 4.097 4.852 . 0 0 "[ . 1 . 2]" 1
61 1 3 CYS HB2 1 4 GLY H . . 4.850 4.491 4.454 4.512 . 0 0 "[ . 1 . 2]" 1
62 1 3 CYS HB2 1 7 TYR H . . 5.500 4.195 4.133 4.254 . 0 0 "[ . 1 . 2]" 1
63 1 3 CYS HB2 1 7 TYR HA . . 4.680 2.511 2.447 2.632 . 0 0 "[ . 1 . 2]" 1
64 1 3 CYS HB2 1 7 TYR HB2 . . 4.920 2.294 2.197 2.366 . 0 0 "[ . 1 . 2]" 1
65 1 3 CYS HB2 1 7 TYR HB3 . . 4.410 2.455 2.414 2.513 . 0 0 "[ . 1 . 2]" 1
66 1 3 CYS HB2 1 7 TYR QD . . 4.460 4.229 4.157 4.295 . 0 0 "[ . 1 . 2]" 1
67 1 3 CYS HB2 1 8 GLY H . . 5.500 3.771 3.691 3.907 . 0 0 "[ . 1 . 2]" 1
68 1 3 CYS HB2 1 12 ARG HA . . 5.500 4.285 4.192 4.367 . 0 0 "[ . 1 . 2]" 1
69 1 3 CYS HB2 1 30 CYS HB3 . . 5.020 4.982 4.637 5.138 0.118 15 0 "[ . 1 . 2]" 1
70 1 3 CYS HB3 1 4 GLY H . . 4.150 4.006 3.947 4.037 . 0 0 "[ . 1 . 2]" 1
71 1 3 CYS HB3 1 7 TYR H . . 4.280 2.962 2.928 2.999 . 0 0 "[ . 1 . 2]" 1
72 1 3 CYS HB3 1 7 TYR HB2 . . 3.740 2.992 2.961 3.047 . 0 0 "[ . 1 . 2]" 1
73 1 3 CYS HB3 1 7 TYR HB3 . . 4.500 2.082 2.023 2.157 . 0 0 "[ . 1 . 2]" 1
74 1 3 CYS HB3 1 7 TYR QD . . 4.070 4.010 3.959 4.075 0.005 8 0 "[ . 1 . 2]" 1
75 1 3 CYS HB3 1 8 GLY H . . 5.190 4.371 4.317 4.457 . 0 0 "[ . 1 . 2]" 1
76 1 3 CYS HB3 1 13 ARG QD . . 5.500 4.581 4.478 4.794 . 0 0 "[ . 1 . 2]" 1
77 1 4 GLY H 1 5 GLY H . . 4.530 2.723 2.712 2.731 . 0 0 "[ . 1 . 2]" 1
78 1 4 GLY H 1 5 GLY HA3 . . 5.500 5.335 5.327 5.341 . 0 0 "[ . 1 . 2]" 1
79 1 4 GLY H 1 7 TYR HB3 . . 4.710 4.399 4.307 4.472 . 0 0 "[ . 1 . 2]" 1
80 1 4 GLY H 1 13 ARG HB2 . . 3.700 3.719 3.540 3.819 0.119 15 0 "[ . 1 . 2]" 1
81 1 4 GLY H 1 13 ARG HB3 . . 5.500 4.867 4.502 5.059 . 0 0 "[ . 1 . 2]" 1
82 1 4 GLY H 1 13 ARG QD . . 3.540 2.979 2.246 3.136 . 0 0 "[ . 1 . 2]" 1
83 1 4 GLY H 1 13 ARG QG . . 4.390 4.458 4.400 4.494 0.104 14 0 "[ . 1 . 2]" 1
84 1 4 GLY HA2 1 5 GLY H . . 3.250 3.093 3.083 3.097 . 0 0 "[ . 1 . 2]" 1
85 1 4 GLY HA3 1 13 ARG QD . . 5.010 3.531 3.183 3.721 . 0 0 "[ . 1 . 2]" 1
86 1 5 GLY H 1 7 TYR QD . . 5.500 4.045 3.944 4.183 . 0 0 "[ . 1 . 2]" 1
87 1 5 GLY HA2 1 6 GLY H . . 2.810 2.146 2.145 2.147 . 0 0 "[ . 1 . 2]" 1
88 1 5 GLY HA2 1 7 TYR H . . 4.410 3.571 3.561 3.583 . 0 0 "[ . 1 . 2]" 1
89 1 5 GLY HA2 1 7 TYR HB3 . . 5.500 4.777 4.754 4.793 . 0 0 "[ . 1 . 2]" 1
90 1 5 GLY HA2 1 7 TYR QD . . 5.500 3.912 3.807 3.997 . 0 0 "[ . 1 . 2]" 1
91 1 5 GLY HA3 1 6 GLY H . . 3.470 3.210 3.204 3.217 . 0 0 "[ . 1 . 2]" 1
92 1 6 GLY H 1 7 TYR H . . 3.160 2.412 2.384 2.445 . 0 0 "[ . 1 . 2]" 1
93 1 6 GLY H 1 7 TYR HB3 . . 5.500 4.507 4.468 4.533 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLY H 1 7 TYR QD . . 5.010 3.225 3.167 3.327 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLY HA3 1 7 TYR QD . . 5.500 5.160 5.121 5.242 . 0 0 "[ . 1 . 2]" 1
96 1 7 TYR H 1 7 TYR HB2 . . 3.710 3.574 3.569 3.581 . 0 0 "[ . 1 . 2]" 1
97 1 7 TYR H 1 7 TYR HB3 . . 3.180 2.373 2.352 2.395 . 0 0 "[ . 1 . 2]" 1
98 1 7 TYR H 1 7 TYR QD . . 3.410 1.972 1.935 2.054 . 0 0 "[ . 1 . 2]" 1
99 1 7 TYR H 1 8 GLY H . . 4.710 4.632 4.621 4.636 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR HA 1 8 GLY H . . 3.020 2.271 2.231 2.298 . 0 0 "[ . 1 . 2]" 1
101 1 7 TYR HA 1 8 GLY HA3 . . 4.370 4.404 4.395 4.410 0.040 7 0 "[ . 1 . 2]" 1
102 1 7 TYR HB2 1 8 GLY H . . 3.100 2.849 2.772 2.978 . 0 0 "[ . 1 . 2]" 1
103 1 7 TYR HB2 1 8 GLY HA2 . . 5.220 5.029 4.974 5.100 . 0 0 "[ . 1 . 2]" 1
104 1 7 TYR HB2 1 8 GLY HA3 . . 5.260 4.947 4.907 5.024 . 0 0 "[ . 1 . 2]" 1
105 1 7 TYR HB2 1 11 GLN HB2 . . 4.260 3.489 3.400 3.608 . 0 0 "[ . 1 . 2]" 1
106 1 7 TYR HB3 1 8 GLY H . . 4.150 4.095 4.050 4.170 0.020 8 0 "[ . 1 . 2]" 1
107 1 7 TYR HB3 1 11 GLN HB2 . . 5.500 5.072 4.998 5.154 . 0 0 "[ . 1 . 2]" 1
108 1 7 TYR QD 1 8 GLY H . . 4.170 3.594 3.498 3.670 . 0 0 "[ . 1 . 2]" 1
109 1 7 TYR QD 1 8 GLY HA2 . . 5.250 4.607 4.516 4.673 . 0 0 "[ . 1 . 2]" 1
110 1 7 TYR QD 1 8 GLY HA3 . . 5.270 4.752 4.709 4.791 . 0 0 "[ . 1 . 2]" 1
111 1 7 TYR QD 1 11 GLN HB2 . . 5.220 4.027 3.921 4.189 . 0 0 "[ . 1 . 2]" 1
112 1 7 TYR QE 1 8 GLY H . . 5.500 5.529 5.464 5.594 0.094 8 0 "[ . 1 . 2]" 1
113 1 8 GLY H 1 9 VAL H . . 4.390 4.471 4.460 4.480 0.090 8 0 "[ . 1 . 2]" 1
114 1 8 GLY H 1 11 GLN H . . 5.250 3.742 3.665 3.769 . 0 0 "[ . 1 . 2]" 1
115 1 8 GLY H 1 11 GLN HB2 . . 3.900 1.866 1.823 1.892 . 0 0 "[ . 1 . 2]" 1
116 1 8 GLY H 1 11 GLN HB3 . . 3.990 3.344 3.210 3.460 . 0 0 "[ . 1 . 2]" 1
117 1 8 GLY H 1 11 GLN HE21 . . 5.500 5.539 5.498 5.566 0.066 13 0 "[ . 1 . 2]" 1
118 1 8 GLY H 1 11 GLN HE22 . . 5.500 5.542 5.518 5.593 0.093 13 0 "[ . 1 . 2]" 1
119 1 8 GLY H 1 11 GLN HG2 . . 5.210 4.366 4.309 4.395 . 0 0 "[ . 1 . 2]" 1
120 1 8 GLY H 1 11 GLN HG3 . . 4.730 3.032 2.962 3.072 . 0 0 "[ . 1 . 2]" 1
121 1 8 GLY HA2 1 9 VAL H . . 3.000 2.651 2.647 2.656 . 0 0 "[ . 1 . 2]" 1
122 1 8 GLY HA2 1 9 VAL MG1 . . 5.190 3.826 3.594 3.957 . 0 0 "[ . 1 . 2]" 1
123 1 8 GLY HA2 1 9 VAL MG2 . . 5.440 4.237 4.119 4.479 . 0 0 "[ . 1 . 2]" 1
124 1 8 GLY HA2 1 10 ASP H . . 4.880 4.536 4.488 4.566 . 0 0 "[ . 1 . 2]" 1
125 1 8 GLY HA2 1 11 GLN HG3 . . 5.500 3.761 3.725 3.864 . 0 0 "[ . 1 . 2]" 1
126 1 8 GLY HA3 1 9 VAL H . . 3.340 2.477 2.472 2.481 . 0 0 "[ . 1 . 2]" 1
127 1 8 GLY HA3 1 9 VAL MG1 . . 5.500 4.420 4.147 4.539 . 0 0 "[ . 1 . 2]" 1
128 1 8 GLY HA3 1 9 VAL MG2 . . 5.500 3.865 3.804 4.077 . 0 0 "[ . 1 . 2]" 1
129 1 8 GLY HA3 1 10 ASP H . . 3.940 3.458 3.406 3.487 . 0 0 "[ . 1 . 2]" 1
130 1 8 GLY HA3 1 11 GLN H . . 5.070 3.403 3.263 3.481 . 0 0 "[ . 1 . 2]" 1
131 1 8 GLY HA3 1 11 GLN HG2 . . 5.500 3.767 3.732 3.874 . 0 0 "[ . 1 . 2]" 1
132 1 8 GLY HA3 1 11 GLN HG3 . . 4.800 2.006 1.969 2.112 . 0 0 "[ . 1 . 2]" 1
133 1 9 VAL H 1 9 VAL HB . . 3.590 3.624 3.614 3.643 0.053 15 0 "[ . 1 . 2]" 1
134 1 9 VAL H 1 9 VAL MG1 . . 3.180 2.476 2.130 2.648 . 0 0 "[ . 1 . 2]" 1
135 1 9 VAL H 1 9 VAL MG2 . . 3.140 1.926 1.868 2.149 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL H 1 10 ASP H . . 3.120 2.425 2.383 2.450 . 0 0 "[ . 1 . 2]" 1
137 1 9 VAL H 1 10 ASP HA . . 5.130 5.101 5.075 5.117 . 0 0 "[ . 1 . 2]" 1
138 1 9 VAL H 1 11 GLN H . . 4.880 3.748 3.620 3.803 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL HA 1 9 VAL HB . . 2.670 2.483 2.400 2.514 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL HA 1 9 VAL MG1 . . 3.060 2.254 2.157 2.414 . 0 0 "[ . 1 . 2]" 1
141 1 9 VAL HA 1 9 VAL MG2 . . 3.520 3.190 3.180 3.203 . 0 0 "[ . 1 . 2]" 1
142 1 9 VAL HA 1 11 GLN H . . 4.120 4.059 4.005 4.086 . 0 0 "[ . 1 . 2]" 1
143 1 9 VAL HB 1 10 ASP H . . 4.720 3.761 3.704 3.942 . 0 0 "[ . 1 . 2]" 1
144 1 9 VAL HB 1 57 VAL HA . . 4.140 4.196 4.172 4.273 0.133 14 0 "[ . 1 . 2]" 1
145 1 9 VAL HB 1 58 SER HA . . 3.540 2.588 1.997 2.782 . 0 0 "[ . 1 . 2]" 1
146 1 9 VAL HB 1 58 SER HB2 . . 3.890 2.247 1.974 2.507 . 0 0 "[ . 1 . 2]" 1
147 1 9 VAL HB 1 58 SER HB3 . . 4.630 3.838 3.234 3.991 . 0 0 "[ . 1 . 2]" 1
148 1 9 VAL MG1 1 10 ASP H . . 4.440 3.980 3.816 4.059 . 0 0 "[ . 1 . 2]" 1
149 1 9 VAL MG1 1 57 VAL HA . . 5.080 4.854 4.540 4.963 . 0 0 "[ . 1 . 2]" 1
150 1 9 VAL MG1 1 58 SER H . . 5.250 4.190 4.021 4.317 . 0 0 "[ . 1 . 2]" 1
151 1 9 VAL MG1 1 58 SER HA . . 4.720 4.147 3.599 4.329 . 0 0 "[ . 1 . 2]" 1
152 1 9 VAL MG1 1 58 SER HB2 . . 4.850 3.086 2.764 3.290 . 0 0 "[ . 1 . 2]" 1
153 1 9 VAL MG1 1 58 SER HB3 . . 5.280 4.500 4.069 4.690 . 0 0 "[ . 1 . 2]" 1
154 1 9 VAL MG2 1 10 ASP H . . 3.760 1.982 1.890 2.204 . 0 0 "[ . 1 . 2]" 1
155 1 9 VAL MG2 1 10 ASP HA . . 4.400 3.803 3.470 3.918 . 0 0 "[ . 1 . 2]" 1
156 1 9 VAL MG2 1 10 ASP HB2 . . 4.910 2.810 2.391 4.107 . 0 0 "[ . 1 . 2]" 1
157 1 9 VAL MG2 1 10 ASP HB3 . . 5.160 3.265 2.725 3.401 . 0 0 "[ . 1 . 2]" 1
158 1 9 VAL MG2 1 11 GLN H . . 5.500 4.024 3.916 4.128 . 0 0 "[ . 1 . 2]" 1
159 1 9 VAL MG2 1 56 GLY H . . 5.430 4.168 4.073 4.293 . 0 0 "[ . 1 . 2]" 1
160 1 9 VAL MG2 1 57 VAL HA . . 4.590 2.595 2.165 2.919 . 0 0 "[ . 1 . 2]" 1
161 1 9 VAL MG2 1 57 VAL HB . . 4.970 4.375 3.806 4.628 . 0 0 "[ . 1 . 2]" 1
162 1 9 VAL MG2 1 58 SER H . . 3.890 3.018 2.424 3.294 . 0 0 "[ . 1 . 2]" 1
163 1 9 VAL MG2 1 58 SER HA . . 3.600 3.418 2.939 3.595 . 0 0 "[ . 1 . 2]" 1
164 1 9 VAL MG2 1 58 SER HB2 . . 3.590 3.536 3.370 3.615 0.025 16 0 "[ . 1 . 2]" 1
165 1 9 VAL MG2 1 58 SER HB3 . . 5.360 4.667 3.785 4.913 . 0 0 "[ . 1 . 2]" 1
166 1 10 ASP H 1 10 ASP HB2 . . 3.610 2.991 2.891 3.740 0.130 13 0 "[ . 1 . 2]" 1
167 1 10 ASP H 1 10 ASP HB3 . . 4.080 2.684 2.579 2.720 . 0 0 "[ . 1 . 2]" 1
168 1 10 ASP H 1 11 GLN H . . 3.110 2.392 2.245 2.416 . 0 0 "[ . 1 . 2]" 1
169 1 10 ASP H 1 11 GLN HG2 . . 5.500 3.794 3.732 3.883 . 0 0 "[ . 1 . 2]" 1
170 1 10 ASP H 1 11 GLN HG3 . . 4.410 3.124 3.030 3.259 . 0 0 "[ . 1 . 2]" 1
171 1 10 ASP H 1 27 PHE QE . . 5.490 4.972 4.580 5.204 . 0 0 "[ . 1 . 2]" 1
172 1 10 ASP H 1 56 GLY H . . 4.820 4.373 4.315 4.448 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASP HA 1 27 PHE QD . . 3.300 2.564 2.324 2.934 . 0 0 "[ . 1 . 2]" 1
174 1 10 ASP HA 1 27 PHE QE . . 4.320 2.595 2.396 2.790 . 0 0 "[ . 1 . 2]" 1
175 1 10 ASP HA 1 28 CYS H . . 4.630 4.569 4.433 4.644 0.014 19 0 "[ . 1 . 2]" 1
176 1 10 ASP HA 1 56 GLY H . . 5.190 5.313 5.273 5.346 0.156 15 0 "[ . 1 . 2]" 1
177 1 10 ASP HA 1 58 SER HA . . 4.050 3.558 3.492 3.890 . 0 0 "[ . 1 . 2]" 1
178 1 10 ASP HA 1 60 GLY H . . 4.330 4.182 3.841 4.301 . 0 0 "[ . 1 . 2]" 1
179 1 10 ASP HB2 1 11 GLN H . . 4.990 4.510 4.484 4.602 . 0 0 "[ . 1 . 2]" 1
180 1 10 ASP HB2 1 27 PHE QD . . 5.330 4.746 4.208 5.010 . 0 0 "[ . 1 . 2]" 1
181 1 10 ASP HB2 1 56 GLY H . . 3.930 3.525 3.480 3.753 . 0 0 "[ . 1 . 2]" 1
182 1 10 ASP HB2 1 56 GLY HA2 . . 5.070 4.187 4.078 4.239 . 0 0 "[ . 1 . 2]" 1
183 1 10 ASP HB2 1 56 GLY HA3 . . 4.520 2.986 2.433 3.064 . 0 0 "[ . 1 . 2]" 1
184 1 10 ASP HB2 1 57 VAL H . . 4.520 2.868 2.791 2.916 . 0 0 "[ . 1 . 2]" 1
185 1 10 ASP HB2 1 57 VAL HA . . 5.500 3.139 2.993 4.462 . 0 0 "[ . 1 . 2]" 1
186 1 10 ASP HB2 1 58 SER HA . . 5.500 3.890 3.777 4.888 . 0 0 "[ . 1 . 2]" 1
187 1 10 ASP HB3 1 11 GLN H . . 5.230 3.976 3.953 4.210 . 0 0 "[ . 1 . 2]" 1
188 1 10 ASP HB3 1 11 GLN HA . . 5.500 4.680 4.613 5.610 0.110 13 0 "[ . 1 . 2]" 1
189 1 10 ASP HB3 1 28 CYS H . . 4.750 3.959 3.809 4.902 0.152 13 0 "[ . 1 . 2]" 1
190 1 10 ASP HB3 1 55 ARG HA . . 5.500 4.174 4.086 5.019 . 0 0 "[ . 1 . 2]" 1
191 1 10 ASP HB3 1 56 GLY H . . 3.650 2.330 2.257 2.962 . 0 0 "[ . 1 . 2]" 1
192 1 10 ASP HB3 1 56 GLY HA2 . . 4.150 4.051 4.016 4.099 . 0 0 "[ . 1 . 2]" 1
193 1 10 ASP HB3 1 56 GLY HA3 . . 4.090 2.746 2.681 2.835 . 0 0 "[ . 1 . 2]" 1
194 1 10 ASP HB3 1 57 VAL H . . 4.430 3.837 3.162 3.938 . 0 0 "[ . 1 . 2]" 1
195 1 10 ASP HB3 1 57 VAL HA . . 4.430 4.313 3.446 4.398 . 0 0 "[ . 1 . 2]" 1
196 1 11 GLN H 1 11 GLN HB3 . . 3.640 3.739 3.714 3.763 0.123 14 0 "[ . 1 . 2]" 1
197 1 11 GLN H 1 11 GLN QG . . 4.550 2.613 2.449 2.716 . 0 0 "[ . 1 . 2]" 1
198 1 11 GLN H 1 11 GLN HG3 . . 3.260 2.755 2.565 2.888 . 0 0 "[ . 1 . 2]" 1
199 1 11 GLN H 1 12 ARG H . . 5.500 4.474 4.439 4.509 . 0 0 "[ . 1 . 2]" 1
200 1 11 GLN H 1 12 ARG HG2 . . 5.500 4.359 4.252 4.424 . 0 0 "[ . 1 . 2]" 1
201 1 11 GLN H 1 27 PHE QD . . 3.450 3.283 3.087 3.402 . 0 0 "[ . 1 . 2]" 1
202 1 11 GLN H 1 27 PHE QE . . 4.480 4.178 3.665 4.473 . 0 0 "[ . 1 . 2]" 1
203 1 11 GLN HA 1 11 GLN HG2 . . 3.420 2.526 2.442 2.604 . 0 0 "[ . 1 . 2]" 1
204 1 11 GLN HA 1 11 GLN HG3 . . 4.160 3.526 3.508 3.556 . 0 0 "[ . 1 . 2]" 1
205 1 11 GLN HA 1 12 ARG H . . 2.860 2.193 2.179 2.221 . 0 0 "[ . 1 . 2]" 1
206 1 11 GLN HA 1 12 ARG HB2 . . 5.500 4.355 4.324 4.416 . 0 0 "[ . 1 . 2]" 1
207 1 11 GLN HA 1 12 ARG HG2 . . 5.200 4.017 3.815 4.108 . 0 0 "[ . 1 . 2]" 1
208 1 11 GLN HA 1 12 ARG HG3 . . 5.500 5.411 5.290 5.503 0.003 12 0 "[ . 1 . 2]" 1
209 1 11 GLN HA 1 27 PHE HA . . 4.780 4.740 4.588 4.806 0.026 16 0 "[ . 1 . 2]" 1
210 1 11 GLN HA 1 27 PHE HB2 . . 5.500 4.906 4.674 5.146 . 0 0 "[ . 1 . 2]" 1
211 1 11 GLN HA 1 27 PHE HB3 . . 4.340 3.219 3.047 3.394 . 0 0 "[ . 1 . 2]" 1
212 1 11 GLN HA 1 27 PHE QD . . 5.310 3.442 3.070 3.639 . 0 0 "[ . 1 . 2]" 1
213 1 11 GLN HA 1 28 CYS H . . 3.540 3.328 3.178 3.410 . 0 0 "[ . 1 . 2]" 1
214 1 11 GLN HA 1 28 CYS HB2 . . 4.050 4.052 3.896 4.145 0.095 14 0 "[ . 1 . 2]" 1
215 1 11 GLN HA 1 28 CYS HB3 . . 5.020 4.772 4.672 4.851 . 0 0 "[ . 1 . 2]" 1
216 1 11 GLN HA 1 29 GLY HA2 . . 4.590 4.193 4.053 4.354 . 0 0 "[ . 1 . 2]" 1
217 1 11 GLN HA 1 30 CYS H . . 5.500 4.873 4.791 5.037 . 0 0 "[ . 1 . 2]" 1
218 1 11 GLN HA 1 30 CYS HA . . 4.440 4.387 4.314 4.473 0.033 12 0 "[ . 1 . 2]" 1
219 1 11 GLN HA 1 36 VAL MG2 . . 5.500 5.061 4.946 5.180 . 0 0 "[ . 1 . 2]" 1
220 1 11 GLN HB2 1 11 GLN HE21 . . 4.760 4.549 4.526 4.566 . 0 0 "[ . 1 . 2]" 1
221 1 11 GLN HB2 1 11 GLN HE22 . . 5.100 4.942 4.900 4.987 . 0 0 "[ . 1 . 2]" 1
222 1 11 GLN HB2 1 12 ARG H . . 4.000 3.953 3.829 4.001 0.001 11 0 "[ . 1 . 2]" 1
223 1 11 GLN HB2 1 27 PHE QD . . 5.500 5.145 4.925 5.279 . 0 0 "[ . 1 . 2]" 1
224 1 11 GLN HB2 1 30 CYS HA . . 5.030 3.839 3.595 4.159 . 0 0 "[ . 1 . 2]" 1
225 1 11 GLN HB3 1 11 GLN HE21 . . 4.050 3.878 3.829 3.914 . 0 0 "[ . 1 . 2]" 1
226 1 11 GLN HB3 1 11 GLN HE22 . . 4.740 4.205 4.185 4.227 . 0 0 "[ . 1 . 2]" 1
227 1 11 GLN HB3 1 12 ARG H . . 3.740 3.071 2.951 3.132 . 0 0 "[ . 1 . 2]" 1
228 1 11 GLN HB3 1 27 PHE QD . . 5.500 5.434 5.147 5.554 0.054 17 0 "[ . 1 . 2]" 1
229 1 11 GLN HB3 1 30 CYS HA . . 3.580 2.408 2.297 2.609 . 0 0 "[ . 1 . 2]" 1
230 1 11 GLN HE21 1 11 GLN HG2 . . 3.500 2.155 2.145 2.167 . 0 0 "[ . 1 . 2]" 1
231 1 11 GLN HE21 1 28 CYS HB2 . . 4.550 4.010 3.831 4.095 . 0 0 "[ . 1 . 2]" 1
232 1 11 GLN HE21 1 28 CYS HB3 . . 3.980 4.047 4.010 4.084 0.104 13 0 "[ . 1 . 2]" 1
233 1 11 GLN HE21 1 30 CYS HA . . 4.170 3.929 3.881 4.002 . 0 0 "[ . 1 . 2]" 1
234 1 11 GLN HE21 1 32 ARG H . . 4.410 4.460 4.435 4.507 0.097 12 0 "[ . 1 . 2]" 1
235 1 11 GLN HE21 1 32 ARG HA . . 5.390 4.128 4.049 4.194 . 0 0 "[ . 1 . 2]" 1
236 1 11 GLN HE21 1 32 ARG QD . . 5.500 3.803 3.436 4.337 . 0 0 "[ . 1 . 2]" 1
237 1 11 GLN HE21 1 32 ARG HG2 . . 4.480 2.627 2.265 2.801 . 0 0 "[ . 1 . 2]" 1
238 1 11 GLN HE21 1 32 ARG HG3 . . 4.620 2.775 2.565 3.217 . 0 0 "[ . 1 . 2]" 1
239 1 11 GLN HE21 1 55 ARG QB . . 5.200 5.372 5.337 5.440 0.240 13 0 "[ . 1 . 2]" 1
240 1 11 GLN HE21 1 55 ARG HD3 . . 3.600 3.592 3.480 3.619 0.019 13 0 "[ . 1 . 2]" 1
241 1 11 GLN HE21 1 55 ARG HG2 . . 4.480 4.021 3.932 4.159 . 0 0 "[ . 1 . 2]" 1
242 1 11 GLN HE22 1 30 CYS HA . . 3.360 3.379 3.363 3.419 0.059 18 0 "[ . 1 . 2]" 1
243 1 11 GLN HE22 1 31 ASP H . . 5.500 5.478 5.307 5.523 0.023 1 0 "[ . 1 . 2]" 1
244 1 11 GLN HE22 1 32 ARG H . . 4.970 4.124 4.048 4.162 . 0 0 "[ . 1 . 2]" 1
245 1 11 GLN HE22 1 32 ARG HA . . 5.500 4.397 4.274 4.440 . 0 0 "[ . 1 . 2]" 1
246 1 11 GLN HE22 1 32 ARG HG2 . . 4.550 2.416 2.189 2.598 . 0 0 "[ . 1 . 2]" 1
247 1 11 GLN HE22 1 32 ARG HG3 . . 3.690 2.058 1.995 2.220 . 0 0 "[ . 1 . 2]" 1
248 1 11 GLN HG2 1 12 ARG H . . 4.940 4.514 4.395 4.589 . 0 0 "[ . 1 . 2]" 1
249 1 11 GLN HG2 1 28 CYS H . . 5.020 4.303 4.171 4.388 . 0 0 "[ . 1 . 2]" 1
250 1 11 GLN HG2 1 28 CYS HB2 . . 3.760 3.702 3.543 3.783 0.023 14 0 "[ . 1 . 2]" 1
251 1 11 GLN HG2 1 28 CYS HB3 . . 4.380 4.387 4.327 4.419 0.039 18 0 "[ . 1 . 2]" 1
252 1 11 GLN HG2 1 30 CYS HA . . 4.540 3.996 3.925 4.146 . 0 0 "[ . 1 . 2]" 1
253 1 12 ARG H 1 12 ARG HB2 . . 3.680 2.641 2.606 2.695 . 0 0 "[ . 1 . 2]" 1
254 1 12 ARG H 1 12 ARG HG2 . . 4.390 3.341 3.202 3.411 . 0 0 "[ . 1 . 2]" 1
255 1 12 ARG H 1 12 ARG HG3 . . 5.000 4.364 4.293 4.442 . 0 0 "[ . 1 . 2]" 1
256 1 12 ARG H 1 13 ARG H . . 4.360 4.447 4.432 4.455 0.095 4 0 "[ . 1 . 2]" 1
257 1 12 ARG H 1 27 PHE HA . . 5.430 5.502 5.465 5.557 0.127 15 0 "[ . 1 . 2]" 1
258 1 12 ARG H 1 27 PHE HB2 . . 5.500 4.375 4.153 4.587 . 0 0 "[ . 1 . 2]" 1
259 1 12 ARG H 1 27 PHE HB3 . . 4.690 3.198 3.158 3.259 . 0 0 "[ . 1 . 2]" 1
260 1 12 ARG H 1 27 PHE QD . . 5.380 3.996 3.523 4.321 . 0 0 "[ . 1 . 2]" 1
261 1 12 ARG H 1 28 CYS H . . 4.560 4.544 4.389 4.612 0.052 17 0 "[ . 1 . 2]" 1
262 1 12 ARG H 1 29 GLY H . . 5.170 4.812 4.699 4.920 . 0 0 "[ . 1 . 2]" 1
263 1 12 ARG H 1 29 GLY HA2 . . 4.260 3.059 2.955 3.200 . 0 0 "[ . 1 . 2]" 1
264 1 12 ARG H 1 29 GLY HA3 . . 5.500 4.762 4.648 4.896 . 0 0 "[ . 1 . 2]" 1
265 1 12 ARG H 1 30 CYS H . . 5.380 3.895 3.785 4.028 . 0 0 "[ . 1 . 2]" 1
266 1 12 ARG H 1 36 VAL MG2 . . 4.610 3.786 3.690 3.885 . 0 0 "[ . 1 . 2]" 1
267 1 12 ARG HA 1 12 ARG HD2 . . 3.600 3.320 2.875 3.519 . 0 0 "[ . 1 . 2]" 1
268 1 12 ARG HA 1 12 ARG HD3 . . 3.160 2.112 2.032 2.311 . 0 0 "[ . 1 . 2]" 1
269 1 12 ARG HA 1 13 ARG H . . 2.970 2.384 2.378 2.392 . 0 0 "[ . 1 . 2]" 1
270 1 12 ARG HA 1 27 PHE QD . . 4.960 4.569 4.339 4.723 . 0 0 "[ . 1 . 2]" 1
271 1 12 ARG HA 1 36 VAL MG2 . . 5.500 4.925 4.699 5.053 . 0 0 "[ . 1 . 2]" 1
272 1 12 ARG HA 1 43 TRP HE1 . . 5.500 5.122 4.889 5.221 . 0 0 "[ . 1 . 2]" 1
273 1 12 ARG HB2 1 13 ARG H . . 4.090 3.776 3.721 3.798 . 0 0 "[ . 1 . 2]" 1
274 1 12 ARG HB2 1 27 PHE HB2 . . 4.580 2.974 2.796 3.171 . 0 0 "[ . 1 . 2]" 1
275 1 12 ARG HB2 1 27 PHE HB3 . . 4.550 2.948 2.791 3.088 . 0 0 "[ . 1 . 2]" 1
276 1 12 ARG HB2 1 27 PHE QD . . 5.460 3.948 3.549 4.297 . 0 0 "[ . 1 . 2]" 1
277 1 12 ARG HB2 1 36 VAL MG1 . . 5.500 4.761 4.521 4.866 . 0 0 "[ . 1 . 2]" 1
278 1 12 ARG HB2 1 36 VAL MG2 . . 3.600 2.693 2.417 2.859 . 0 0 "[ . 1 . 2]" 1
279 1 12 ARG HB2 1 43 TRP HD1 . . 5.450 4.953 4.811 5.167 . 0 0 "[ . 1 . 2]" 1
280 1 12 ARG HB2 1 43 TRP HE1 . . 5.270 4.787 4.563 5.098 . 0 0 "[ . 1 . 2]" 1
281 1 12 ARG HB3 1 12 ARG HD2 . . 4.130 2.472 2.256 2.573 . 0 0 "[ . 1 . 2]" 1
282 1 12 ARG HB3 1 12 ARG HD3 . . 4.000 2.829 2.682 3.143 . 0 0 "[ . 1 . 2]" 1
283 1 12 ARG HB3 1 13 ARG H . . 3.530 2.479 2.465 2.495 . 0 0 "[ . 1 . 2]" 1
284 1 12 ARG HB3 1 27 PHE HB2 . . 5.290 4.390 4.038 4.629 . 0 0 "[ . 1 . 2]" 1
285 1 12 ARG HB3 1 27 PHE QD . . 5.500 4.890 4.682 5.018 . 0 0 "[ . 1 . 2]" 1
286 1 12 ARG HB3 1 36 VAL MG1 . . 5.500 5.519 5.332 5.574 0.074 16 0 "[ . 1 . 2]" 1
287 1 12 ARG HB3 1 36 VAL MG2 . . 4.330 3.463 3.156 3.600 . 0 0 "[ . 1 . 2]" 1
288 1 12 ARG HB3 1 43 TRP HB3 . . 4.960 3.957 3.704 4.127 . 0 0 "[ . 1 . 2]" 1
289 1 12 ARG HB3 1 43 TRP HD1 . . 4.720 3.461 3.344 3.583 . 0 0 "[ . 1 . 2]" 1
290 1 12 ARG HB3 1 43 TRP HE1 . . 4.420 3.434 3.327 3.540 . 0 0 "[ . 1 . 2]" 1
291 1 12 ARG HB3 1 43 TRP HZ2 . . 5.500 4.487 4.275 4.555 . 0 0 "[ . 1 . 2]" 1
292 1 12 ARG HD2 1 13 ARG H . . 4.910 3.703 3.361 3.862 . 0 0 "[ . 1 . 2]" 1
293 1 12 ARG HD2 1 43 TRP HE1 . . 4.460 2.132 1.951 2.602 . 0 0 "[ . 1 . 2]" 1
294 1 12 ARG HD2 1 43 TRP HZ2 . . 5.020 3.061 2.660 3.743 . 0 0 "[ . 1 . 2]" 1
295 1 12 ARG HD3 1 13 ARG H . . 5.460 3.335 3.099 3.742 . 0 0 "[ . 1 . 2]" 1
296 1 12 ARG HD3 1 43 TRP HE1 . . 4.000 3.804 3.630 4.336 0.336 6 0 "[ . 1 . 2]" 1
297 1 12 ARG HD3 1 43 TRP HZ2 . . 4.630 4.478 3.996 4.821 0.191 6 0 "[ . 1 . 2]" 1
298 1 12 ARG HG2 1 13 ARG H . . 5.290 4.630 4.554 4.748 . 0 0 "[ . 1 . 2]" 1
299 1 12 ARG HG2 1 27 PHE HA . . 5.500 5.097 4.535 5.426 . 0 0 "[ . 1 . 2]" 1
300 1 12 ARG HG2 1 27 PHE HB2 . . 4.480 3.462 2.635 4.036 . 0 0 "[ . 1 . 2]" 1
301 1 12 ARG HG2 1 27 PHE HB3 . . 4.160 2.844 2.167 3.322 . 0 0 "[ . 1 . 2]" 1
302 1 12 ARG HG2 1 27 PHE QD . . 5.010 2.263 2.125 2.410 . 0 0 "[ . 1 . 2]" 1
303 1 12 ARG HG2 1 27 PHE QE . . 5.500 3.588 3.156 3.976 . 0 0 "[ . 1 . 2]" 1
304 1 12 ARG HG2 1 28 CYS H . . 5.500 5.449 5.004 5.572 0.072 16 0 "[ . 1 . 2]" 1
305 1 12 ARG HG2 1 36 VAL MG2 . . 5.340 4.588 4.201 4.826 . 0 0 "[ . 1 . 2]" 1
306 1 12 ARG HG2 1 43 TRP HE1 . . 5.500 4.850 4.650 5.140 . 0 0 "[ . 1 . 2]" 1
307 1 12 ARG HG2 1 43 TRP HZ2 . . 5.500 4.273 4.206 4.318 . 0 0 "[ . 1 . 2]" 1
308 1 12 ARG HG3 1 13 ARG H . . 4.810 4.772 4.720 4.836 0.026 18 0 "[ . 1 . 2]" 1
309 1 12 ARG HG3 1 27 PHE HA . . 5.500 5.355 4.983 5.541 0.041 6 0 "[ . 1 . 2]" 1
310 1 12 ARG HG3 1 27 PHE HB2 . . 4.620 2.930 2.287 3.315 . 0 0 "[ . 1 . 2]" 1
311 1 12 ARG HG3 1 27 PHE HB3 . . 4.650 3.300 3.000 3.454 . 0 0 "[ . 1 . 2]" 1
312 1 12 ARG HG3 1 27 PHE QD . . 4.720 3.242 3.128 3.368 . 0 0 "[ . 1 . 2]" 1
313 1 12 ARG HG3 1 27 PHE QE . . 5.110 4.165 3.918 4.420 . 0 0 "[ . 1 . 2]" 1
314 1 12 ARG HG3 1 36 VAL MG2 . . 4.930 3.985 3.610 4.185 . 0 0 "[ . 1 . 2]" 1
315 1 12 ARG HG3 1 43 TRP HD1 . . 5.500 4.983 4.796 5.286 . 0 0 "[ . 1 . 2]" 1
316 1 12 ARG HG3 1 43 TRP HE1 . . 5.290 3.626 3.382 4.079 . 0 0 "[ . 1 . 2]" 1
317 1 12 ARG HG3 1 43 TRP HZ2 . . 4.630 2.827 2.683 3.040 . 0 0 "[ . 1 . 2]" 1
318 1 13 ARG H 1 13 ARG HB2 . . 3.260 2.607 2.459 2.755 . 0 0 "[ . 1 . 2]" 1
319 1 13 ARG H 1 13 ARG HB3 . . 3.290 2.646 2.519 2.789 . 0 0 "[ . 1 . 2]" 1
320 1 13 ARG H 1 13 ARG QD . . 4.610 4.263 4.140 4.448 . 0 0 "[ . 1 . 2]" 1
321 1 13 ARG H 1 13 ARG QG . . 4.400 4.057 4.019 4.086 . 0 0 "[ . 1 . 2]" 1
322 1 13 ARG H 1 14 THR H . . 4.550 4.525 4.497 4.542 . 0 0 "[ . 1 . 2]" 1
323 1 13 ARG H 1 16 SER H . . 5.500 5.484 5.340 5.543 0.043 13 0 "[ . 1 . 2]" 1
324 1 13 ARG H 1 36 VAL MG2 . . 5.060 4.835 4.559 4.933 . 0 0 "[ . 1 . 2]" 1
325 1 13 ARG H 1 43 TRP HE1 . . 4.660 4.632 4.285 4.738 0.078 2 0 "[ . 1 . 2]" 1
326 1 13 ARG HA 1 13 ARG QD . . 4.200 2.800 2.544 3.808 . 0 0 "[ . 1 . 2]" 1
327 1 13 ARG HA 1 13 ARG QG . . 3.120 2.461 2.149 2.554 . 0 0 "[ . 1 . 2]" 1
328 1 13 ARG HA 1 14 THR H . . 2.690 2.178 2.161 2.195 . 0 0 "[ . 1 . 2]" 1
329 1 13 ARG HA 1 14 THR HA . . 4.510 4.345 4.338 4.352 . 0 0 "[ . 1 . 2]" 1
330 1 13 ARG HA 1 14 THR HB . . 4.830 4.866 4.834 4.916 0.086 8 0 "[ . 1 . 2]" 1
331 1 13 ARG HA 1 30 CYS H . . 4.290 4.190 3.907 4.378 0.088 13 0 "[ . 1 . 2]" 1
332 1 13 ARG HB2 1 14 THR H . . 5.070 4.248 4.177 4.325 . 0 0 "[ . 1 . 2]" 1
333 1 13 ARG HB2 1 16 SER QB . . 5.040 3.835 3.573 4.067 . 0 0 "[ . 1 . 2]" 1
334 1 13 ARG HB3 1 14 THR H . . 4.600 3.966 3.858 4.122 . 0 0 "[ . 1 . 2]" 1
335 1 13 ARG HB3 1 16 SER H . . 5.020 4.439 4.277 4.537 . 0 0 "[ . 1 . 2]" 1
336 1 13 ARG HB3 1 16 SER QB . . 4.110 2.303 2.041 2.597 . 0 0 "[ . 1 . 2]" 1
337 1 13 ARG HB3 1 43 TRP HD1 . . 5.500 4.462 4.071 4.643 . 0 0 "[ . 1 . 2]" 1
338 1 13 ARG QD 1 14 THR H . . 5.260 3.988 3.818 4.623 . 0 0 "[ . 1 . 2]" 1
339 1 13 ARG QG 1 14 THR H . . 4.040 2.418 2.271 2.677 . 0 0 "[ . 1 . 2]" 1
340 1 13 ARG QG 1 16 SER H . . 4.660 4.584 4.283 4.775 0.115 14 0 "[ . 1 . 2]" 1
341 1 13 ARG QG 1 16 SER QB . . 4.070 3.223 2.680 3.785 . 0 0 "[ . 1 . 2]" 1
342 1 14 THR H 1 14 THR HB . . 3.220 2.694 2.673 2.733 . 0 0 "[ . 1 . 2]" 1
343 1 14 THR H 1 14 THR MG . . 4.470 3.765 3.758 3.770 . 0 0 "[ . 1 . 2]" 1
344 1 14 THR H 1 15 ASN H . . 4.530 4.621 4.615 4.625 0.095 1 0 "[ . 1 . 2]" 1
345 1 14 THR H 1 16 SER QB . . 4.740 4.502 4.306 4.778 0.038 10 0 "[ . 1 . 2]" 1
346 1 14 THR H 1 29 GLY HA2 . . 5.220 5.254 5.169 5.300 0.080 10 0 "[ . 1 . 2]" 1
347 1 14 THR H 1 36 VAL MG1 . . 4.890 4.638 4.546 4.726 . 0 0 "[ . 1 . 2]" 1
348 1 14 THR HA 1 14 THR MG . . 3.300 2.197 2.182 2.304 . 0 0 "[ . 1 . 2]" 1
349 1 14 THR HA 1 15 ASN H . . 2.630 2.251 2.230 2.262 . 0 0 "[ . 1 . 2]" 1
350 1 14 THR HA 1 15 ASN HA . . 4.390 4.441 4.423 4.451 0.061 16 0 "[ . 1 . 2]" 1
351 1 14 THR HA 1 16 SER H . . 3.980 3.261 3.232 3.321 . 0 0 "[ . 1 . 2]" 1
352 1 14 THR HA 1 36 VAL HB . . 4.930 4.334 4.259 4.408 . 0 0 "[ . 1 . 2]" 1
353 1 14 THR HA 1 36 VAL MG1 . . 3.750 3.577 3.427 3.641 . 0 0 "[ . 1 . 2]" 1
354 1 14 THR HA 1 36 VAL MG2 . . 5.220 3.715 3.617 3.800 . 0 0 "[ . 1 . 2]" 1
355 1 14 THR HA 1 42 LYS QE . . 5.500 5.523 5.449 5.575 0.075 15 0 "[ . 1 . 2]" 1
356 1 14 THR HA 1 43 TRP H . . 4.920 4.767 4.684 4.867 . 0 0 "[ . 1 . 2]" 1
357 1 14 THR HA 1 43 TRP HB2 . . 3.470 2.817 2.703 2.920 . 0 0 "[ . 1 . 2]" 1
358 1 14 THR HA 1 43 TRP HB3 . . 3.500 3.103 3.013 3.163 . 0 0 "[ . 1 . 2]" 1
359 1 14 THR HA 1 44 THR H . . 5.500 5.524 5.463 5.562 0.062 12 0 "[ . 1 . 2]" 1
360 1 14 THR HA 1 45 GLU H . . 5.500 5.506 5.395 5.534 0.034 13 0 "[ . 1 . 2]" 1
361 1 14 THR HB 1 15 ASN H . . 4.240 3.747 3.726 3.771 . 0 0 "[ . 1 . 2]" 1
362 1 14 THR HB 1 15 ASN HD22 . . 5.500 4.418 3.870 5.338 . 0 0 "[ . 1 . 2]" 1
363 1 14 THR HB 1 16 SER H . . 5.140 5.180 5.144 5.205 0.065 10 0 "[ . 1 . 2]" 1
364 1 14 THR HB 1 36 VAL MG1 . . 5.120 4.644 4.518 4.745 . 0 0 "[ . 1 . 2]" 1
365 1 14 THR MG 1 15 ASN H . . 3.430 1.963 1.924 2.327 . 0 0 "[ . 1 . 2]" 1
366 1 14 THR MG 1 15 ASN HB2 . . 4.900 3.818 3.092 4.162 . 0 0 "[ . 1 . 2]" 1
367 1 14 THR MG 1 15 ASN HB3 . . 4.930 4.430 4.264 4.600 . 0 0 "[ . 1 . 2]" 1
368 1 14 THR MG 1 15 ASN HD21 . . 4.530 2.597 1.930 3.256 . 0 0 "[ . 1 . 2]" 1
369 1 14 THR MG 1 15 ASN HD22 . . 4.350 2.543 2.039 3.333 . 0 0 "[ . 1 . 2]" 1
370 1 14 THR MG 1 16 SER H . . 5.140 4.133 4.084 4.330 . 0 0 "[ . 1 . 2]" 1
371 1 14 THR MG 1 36 VAL HA . . 5.500 5.454 5.365 5.511 0.011 19 0 "[ . 1 . 2]" 1
372 1 14 THR MG 1 36 VAL MG1 . . 3.820 2.758 2.630 2.929 . 0 0 "[ . 1 . 2]" 1
373 1 14 THR MG 1 36 VAL MG2 . . 5.270 4.182 4.109 4.247 . 0 0 "[ . 1 . 2]" 1
374 1 14 THR MG 1 43 TRP HA . . 5.500 5.348 5.221 5.505 0.005 8 0 "[ . 1 . 2]" 1
375 1 14 THR MG 1 43 TRP HB2 . . 5.500 4.109 3.963 4.313 . 0 0 "[ . 1 . 2]" 1
376 1 14 THR MG 1 43 TRP HB3 . . 5.500 4.150 4.015 4.266 . 0 0 "[ . 1 . 2]" 1
377 1 14 THR MG 1 44 THR H . . 5.500 4.960 4.863 5.095 . 0 0 "[ . 1 . 2]" 1
378 1 14 THR MG 1 44 THR HA . . 5.500 3.100 3.033 3.225 . 0 0 "[ . 1 . 2]" 1
379 1 14 THR MG 1 45 GLU H . . 3.800 3.293 3.190 3.417 . 0 0 "[ . 1 . 2]" 1
380 1 14 THR MG 1 45 GLU HB2 . . 4.090 3.404 3.292 3.567 . 0 0 "[ . 1 . 2]" 1
381 1 14 THR MG 1 45 GLU HB3 . . 4.720 4.733 4.692 4.764 0.044 8 0 "[ . 1 . 2]" 1
382 1 15 ASN H 1 15 ASN HA . . 2.690 2.276 2.274 2.279 . 0 0 "[ . 1 . 2]" 1
383 1 15 ASN H 1 15 ASN HD21 . . 5.500 2.883 2.273 3.535 . 0 0 "[ . 1 . 2]" 1
384 1 15 ASN H 1 15 ASN HD22 . . 5.500 3.919 3.641 4.437 . 0 0 "[ . 1 . 2]" 1
385 1 15 ASN H 1 16 SER H . . 3.200 2.568 2.531 2.630 . 0 0 "[ . 1 . 2]" 1
386 1 15 ASN H 1 36 VAL HB . . 5.500 5.301 5.244 5.378 . 0 0 "[ . 1 . 2]" 1
387 1 15 ASN H 1 36 VAL MG1 . . 4.840 4.779 4.667 4.847 0.007 2 0 "[ . 1 . 2]" 1
388 1 15 ASN H 1 36 VAL MG2 . . 5.500 5.141 5.094 5.219 . 0 0 "[ . 1 . 2]" 1
389 1 15 ASN H 1 42 LYS QB . . 4.460 4.320 4.226 4.425 . 0 0 "[ . 1 . 2]" 1
390 1 15 ASN H 1 42 LYS HD2 . . 5.500 4.892 4.816 4.985 . 0 0 "[ . 1 . 2]" 1
391 1 15 ASN H 1 42 LYS HD3 . . 5.500 3.455 3.390 3.539 . 0 0 "[ . 1 . 2]" 1
392 1 15 ASN H 1 42 LYS QG . . 5.370 5.360 5.314 5.410 0.040 2 0 "[ . 1 . 2]" 1
393 1 15 ASN H 1 43 TRP H . . 4.050 4.006 3.926 4.071 0.021 5 0 "[ . 1 . 2]" 1
394 1 15 ASN H 1 43 TRP HB2 . . 3.630 3.195 3.117 3.288 . 0 0 "[ . 1 . 2]" 1
395 1 15 ASN H 1 43 TRP HB3 . . 3.980 4.052 4.012 4.093 0.113 20 0 "[ . 1 . 2]" 1
396 1 15 ASN H 1 43 TRP HD1 . . 5.500 5.363 5.262 5.490 . 0 0 "[ . 1 . 2]" 1
397 1 15 ASN H 1 44 THR H . . 5.500 5.261 5.237 5.297 . 0 0 "[ . 1 . 2]" 1
398 1 15 ASN H 1 44 THR HA . . 5.080 3.894 3.831 3.994 . 0 0 "[ . 1 . 2]" 1
399 1 15 ASN H 1 44 THR MG . . 5.500 5.377 5.110 5.511 0.011 16 0 "[ . 1 . 2]" 1
400 1 15 ASN H 1 45 GLU H . . 5.360 5.372 5.276 5.421 0.061 9 0 "[ . 1 . 2]" 1
401 1 15 ASN HA 1 15 ASN HD22 . . 5.500 3.740 3.481 3.949 . 0 0 "[ . 1 . 2]" 1
402 1 15 ASN HA 1 42 LYS QB . . 3.130 3.174 3.118 3.202 0.072 17 0 "[ . 1 . 2]" 1
403 1 15 ASN HA 1 42 LYS HD2 . . 4.520 4.050 3.911 4.278 . 0 0 "[ . 1 . 2]" 1
404 1 15 ASN HA 1 42 LYS HD3 . . 4.570 2.911 2.763 3.165 . 0 0 "[ . 1 . 2]" 1
405 1 15 ASN HA 1 42 LYS QG . . 4.640 4.482 4.424 4.581 . 0 0 "[ . 1 . 2]" 1
406 1 15 ASN HA 1 43 TRP H . . 5.310 4.342 4.255 4.424 . 0 0 "[ . 1 . 2]" 1
407 1 15 ASN HA 1 43 TRP HB2 . . 5.500 4.657 4.559 4.731 . 0 0 "[ . 1 . 2]" 1
408 1 15 ASN HB2 1 15 ASN HD21 . . 3.510 3.190 2.254 3.543 0.033 9 0 "[ . 1 . 2]" 1
409 1 15 ASN HB2 1 15 ASN HD22 . . 4.050 3.921 3.488 4.091 0.041 9 0 "[ . 1 . 2]" 1
410 1 15 ASN HB2 1 16 SER H . . 5.190 3.993 3.921 4.103 . 0 0 "[ . 1 . 2]" 1
411 1 15 ASN HB2 1 42 LYS HE2 . . 4.810 4.599 4.364 5.085 0.275 2 0 "[ . 1 . 2]" 1
412 1 15 ASN HB3 1 42 LYS HD3 . . 5.500 5.250 5.007 5.458 . 0 0 "[ . 1 . 2]" 1
413 1 15 ASN HB3 1 42 LYS HE2 . . 3.800 3.554 3.255 3.893 0.093 15 0 "[ . 1 . 2]" 1
414 1 15 ASN HD21 1 16 SER H . . 5.290 4.871 4.537 5.302 0.012 18 0 "[ . 1 . 2]" 1
415 1 15 ASN HD21 1 44 THR HA . . 5.500 4.728 4.335 5.456 . 0 0 "[ . 1 . 2]" 1
416 1 15 ASN HD22 1 42 LYS HD3 . . 5.500 5.191 4.703 5.504 0.004 9 0 "[ . 1 . 2]" 1
417 1 15 ASN HD22 1 42 LYS QE . . 5.500 3.670 3.072 4.030 . 0 0 "[ . 1 . 2]" 1
418 1 16 SER H 1 16 SER QB . . 3.500 2.375 2.351 2.398 . 0 0 "[ . 1 . 2]" 1
419 1 16 SER H 1 17 PRO HD2 . . 5.220 4.815 4.808 4.820 . 0 0 "[ . 1 . 2]" 1
420 1 16 SER H 1 42 LYS QB . . 4.800 3.810 3.746 3.923 . 0 0 "[ . 1 . 2]" 1
421 1 16 SER H 1 43 TRP H . . 3.920 2.942 2.854 2.989 . 0 0 "[ . 1 . 2]" 1
422 1 16 SER H 1 43 TRP HA . . 5.080 5.073 4.969 5.130 0.050 17 0 "[ . 1 . 2]" 1
423 1 16 SER H 1 43 TRP HB2 . . 3.620 2.529 2.426 2.597 . 0 0 "[ . 1 . 2]" 1
424 1 16 SER H 1 43 TRP HB3 . . 4.410 4.198 4.101 4.258 . 0 0 "[ . 1 . 2]" 1
425 1 16 SER H 1 43 TRP HD1 . . 4.200 3.455 3.360 3.585 . 0 0 "[ . 1 . 2]" 1
426 1 16 SER HA 1 17 PRO HD2 . . 2.740 2.378 2.360 2.401 . 0 0 "[ . 1 . 2]" 1
427 1 16 SER HA 1 17 PRO HD3 . . 2.840 2.289 2.283 2.297 . 0 0 "[ . 1 . 2]" 1
428 1 16 SER HA 1 17 PRO HG2 . . 4.960 4.494 4.479 4.512 . 0 0 "[ . 1 . 2]" 1
429 1 16 SER HA 1 17 PRO HG3 . . 4.550 4.457 4.447 4.470 . 0 0 "[ . 1 . 2]" 1
430 1 16 SER HA 1 43 TRP HB2 . . 5.120 5.111 5.007 5.171 0.051 17 0 "[ . 1 . 2]" 1
431 1 16 SER QB 1 17 PRO HD2 . . 3.620 2.258 2.111 2.350 . 0 0 "[ . 1 . 2]" 1
432 1 16 SER QB 1 17 PRO HD3 . . 3.530 3.484 3.417 3.508 . 0 0 "[ . 1 . 2]" 1
433 1 16 SER QB 1 17 PRO HG2 . . 5.420 4.115 3.751 4.326 . 0 0 "[ . 1 . 2]" 1
434 1 16 SER QB 1 17 PRO HG3 . . 5.500 4.790 4.614 4.897 . 0 0 "[ . 1 . 2]" 1
435 1 16 SER QB 1 43 TRP HB2 . . 5.500 3.505 3.100 3.767 . 0 0 "[ . 1 . 2]" 1
436 1 16 SER QB 1 43 TRP HD1 . . 5.500 2.832 2.166 3.339 . 0 0 "[ . 1 . 2]" 1
437 1 17 PRO HB2 1 18 CYS H . . 4.030 3.378 3.362 3.397 . 0 0 "[ . 1 . 2]" 1
438 1 17 PRO HB2 1 42 LYS HA . . 5.410 5.213 5.147 5.297 . 0 0 "[ . 1 . 2]" 1
439 1 17 PRO HB3 1 18 CYS H . . 3.930 3.898 3.887 3.911 . 0 0 "[ . 1 . 2]" 1
440 1 17 PRO HB3 1 42 LYS HA . . 4.790 4.744 4.693 4.803 0.013 8 0 "[ . 1 . 2]" 1
441 1 17 PRO HG2 1 18 CYS H . . 5.500 4.895 4.888 4.904 . 0 0 "[ . 1 . 2]" 1
442 1 18 CYS H 1 18 CYS HB2 . . 3.930 3.742 3.715 3.763 . 0 0 "[ . 1 . 2]" 1
443 1 18 CYS H 1 18 CYS HB3 . . 4.050 3.196 3.120 3.258 . 0 0 "[ . 1 . 2]" 1
444 1 18 CYS H 1 19 GLN H . . 5.500 4.474 4.468 4.483 . 0 0 "[ . 1 . 2]" 1
445 1 18 CYS H 1 41 GLY HA2 . . 5.030 3.585 3.517 3.632 . 0 0 "[ . 1 . 2]" 1
446 1 18 CYS H 1 41 GLY HA3 . . 4.300 4.264 4.220 4.298 . 0 0 "[ . 1 . 2]" 1
447 1 18 CYS H 1 42 LYS HA . . 3.060 2.963 2.883 3.064 0.004 2 0 "[ . 1 . 2]" 1
448 1 18 CYS H 1 42 LYS QB . . 5.500 4.480 4.400 4.582 . 0 0 "[ . 1 . 2]" 1
449 1 18 CYS H 1 43 TRP H . . 4.520 4.411 4.362 4.470 . 0 0 "[ . 1 . 2]" 1
450 1 18 CYS H 1 43 TRP HE1 . . 5.420 5.103 5.003 5.194 . 0 0 "[ . 1 . 2]" 1
451 1 18 CYS HA 1 19 GLN H . . 2.840 2.461 2.451 2.470 . 0 0 "[ . 1 . 2]" 1
452 1 18 CYS HA 1 19 GLN QG . . 4.890 4.511 3.761 4.823 . 0 0 "[ . 1 . 2]" 1
453 1 18 CYS HA 1 43 TRP HD1 . . 5.500 4.406 4.237 4.512 . 0 0 "[ . 1 . 2]" 1
454 1 18 CYS HA 1 43 TRP HE1 . . 4.300 3.089 2.933 3.213 . 0 0 "[ . 1 . 2]" 1
455 1 18 CYS HB2 1 19 GLN H . . 3.290 2.301 2.279 2.321 . 0 0 "[ . 1 . 2]" 1
456 1 18 CYS HB2 1 19 GLN HA . . 5.500 4.648 4.605 4.693 . 0 0 "[ . 1 . 2]" 1
457 1 18 CYS HB2 1 22 ASN H . . 5.500 4.670 4.503 4.753 . 0 0 "[ . 1 . 2]" 1
458 1 18 CYS HB2 1 38 CYS HA . . 5.500 4.033 3.986 4.084 . 0 0 "[ . 1 . 2]" 1
459 1 18 CYS HB2 1 38 CYS HB2 . . 4.270 2.519 2.494 2.554 . 0 0 "[ . 1 . 2]" 1
460 1 18 CYS HB2 1 38 CYS HB3 . . 5.210 3.917 3.857 3.973 . 0 0 "[ . 1 . 2]" 1
461 1 18 CYS HB2 1 42 LYS HA . . 5.500 5.385 5.310 5.504 0.004 2 0 "[ . 1 . 2]" 1
462 1 18 CYS HB2 1 43 TRP H . . 5.500 5.561 5.532 5.595 0.095 12 0 "[ . 1 . 2]" 1
463 1 18 CYS HB2 1 43 TRP HD1 . . 5.130 5.077 4.833 5.174 0.044 11 0 "[ . 1 . 2]" 1
464 1 18 CYS HB2 1 43 TRP HE1 . . 4.030 3.671 3.407 3.779 . 0 0 "[ . 1 . 2]" 1
465 1 18 CYS HB2 1 43 TRP HZ2 . . 4.470 3.392 3.247 3.511 . 0 0 "[ . 1 . 2]" 1
466 1 18 CYS HB3 1 19 GLN H . . 3.750 3.630 3.570 3.680 . 0 0 "[ . 1 . 2]" 1
467 1 18 CYS HB3 1 38 CYS HB2 . . 4.840 3.122 3.079 3.161 . 0 0 "[ . 1 . 2]" 1
468 1 18 CYS HB3 1 42 LYS HA . . 5.500 4.147 3.985 4.227 . 0 0 "[ . 1 . 2]" 1
469 1 18 CYS HB3 1 43 TRP H . . 4.690 3.943 3.876 3.997 . 0 0 "[ . 1 . 2]" 1
470 1 18 CYS HB3 1 43 TRP HD1 . . 4.290 3.397 3.221 3.470 . 0 0 "[ . 1 . 2]" 1
471 1 18 CYS HB3 1 43 TRP HE1 . . 3.590 2.666 2.620 2.702 . 0 0 "[ . 1 . 2]" 1
472 1 18 CYS HB3 1 43 TRP HZ2 . . 5.190 3.579 3.506 3.751 . 0 0 "[ . 1 . 2]" 1
473 1 19 GLN H 1 19 GLN QB . . 3.170 2.165 2.110 2.836 . 0 0 "[ . 1 . 2]" 1
474 1 19 GLN H 1 19 GLN QG . . 3.580 3.225 1.865 3.522 . 0 0 "[ . 1 . 2]" 1
475 1 19 GLN H 1 20 ALA H . . 4.680 4.586 4.583 4.588 . 0 0 "[ . 1 . 2]" 1
476 1 19 GLN H 1 22 ASN HB2 . . 3.140 2.535 2.409 2.695 . 0 0 "[ . 1 . 2]" 1
477 1 19 GLN H 1 22 ASN HB3 . . 3.690 3.638 3.554 3.786 0.096 9 0 "[ . 1 . 2]" 1
478 1 19 GLN H 1 38 CYS HB2 . . 4.470 4.529 4.504 4.562 0.092 9 0 "[ . 1 . 2]" 1
479 1 19 GLN H 1 38 CYS HB3 . . 5.500 5.567 5.548 5.588 0.088 7 0 "[ . 1 . 2]" 1
480 1 19 GLN H 1 43 TRP HE1 . . 4.980 4.599 4.412 4.703 . 0 0 "[ . 1 . 2]" 1
481 1 19 GLN H 1 43 TRP HZ2 . . 4.290 4.244 4.108 4.368 0.078 9 0 "[ . 1 . 2]" 1
482 1 19 GLN HA 1 19 GLN QG . . 3.280 2.342 2.067 3.308 0.028 9 0 "[ . 1 . 2]" 1
483 1 19 GLN HA 1 20 ALA H . . 2.660 2.434 2.421 2.438 . 0 0 "[ . 1 . 2]" 1
484 1 19 GLN HA 1 20 ALA MB . . 4.880 4.106 4.069 4.153 . 0 0 "[ . 1 . 2]" 1
485 1 19 GLN QB 1 20 ALA H . . 3.600 2.469 2.356 2.537 . 0 0 "[ . 1 . 2]" 1
486 1 19 GLN QB 1 20 ALA HA . . 4.920 4.394 4.381 4.492 . 0 0 "[ . 1 . 2]" 1
487 1 19 GLN QB 1 20 ALA MB . . 5.500 3.846 3.745 3.926 . 0 0 "[ . 1 . 2]" 1
488 1 19 GLN QB 1 21 SER H . . 3.420 2.507 2.456 2.575 . 0 0 "[ . 1 . 2]" 1
489 1 19 GLN QB 1 21 SER HB3 . . 4.650 4.346 3.808 4.950 0.300 17 0 "[ . 1 . 2]" 1
490 1 19 GLN QB 1 22 ASN H . . 4.770 2.688 2.615 3.306 . 0 0 "[ . 1 . 2]" 1
491 1 19 GLN QG 1 20 ALA H . . 4.580 3.282 2.840 3.915 . 0 0 "[ . 1 . 2]" 1
492 1 19 GLN QG 1 21 SER H . . 4.460 4.161 3.164 4.462 0.002 2 0 "[ . 1 . 2]" 1
493 1 20 ALA H 1 20 ALA MB . . 3.020 2.113 2.030 2.238 . 0 0 "[ . 1 . 2]" 1
494 1 20 ALA H 1 21 SER H . . 3.290 2.636 2.593 2.668 . 0 0 "[ . 1 . 2]" 1
495 1 20 ALA H 1 22 ASN H . . 5.030 3.918 3.889 4.055 . 0 0 "[ . 1 . 2]" 1
496 1 20 ALA HA 1 22 ASN H . . 4.070 4.081 4.057 4.096 0.026 15 0 "[ . 1 . 2]" 1
497 1 20 ALA HA 1 23 GLY H . . 4.160 3.819 3.567 3.884 . 0 0 "[ . 1 . 2]" 1
498 1 20 ALA MB 1 21 SER H . . 3.790 2.644 2.511 2.848 . 0 0 "[ . 1 . 2]" 1
499 1 20 ALA MB 1 21 SER HA . . 4.270 3.764 3.706 3.849 . 0 0 "[ . 1 . 2]" 1
500 1 20 ALA MB 1 21 SER HB3 . . 5.500 4.522 3.832 5.255 . 0 0 "[ . 1 . 2]" 1
501 1 20 ALA MB 1 22 ASN H . . 5.200 4.342 4.311 4.453 . 0 0 "[ . 1 . 2]" 1
502 1 20 ALA MB 1 23 GLY H . . 5.110 4.648 4.540 4.679 . 0 0 "[ . 1 . 2]" 1
503 1 21 SER H 1 21 SER HB2 . . 3.740 3.055 2.116 3.602 . 0 0 "[ . 1 . 2]" 1
504 1 21 SER H 1 21 SER HB3 . . 3.240 2.948 2.250 3.414 0.174 14 0 "[ . 1 . 2]" 1
505 1 21 SER H 1 22 ASN H . . 2.920 2.516 2.484 2.550 . 0 0 "[ . 1 . 2]" 1
506 1 21 SER H 1 22 ASN HA . . 5.140 5.106 5.085 5.140 . 0 0 "[ . 1 . 2]" 1
507 1 21 SER HA 1 21 SER HB2 . . 2.630 2.663 2.298 2.936 0.306 2 0 "[ . 1 . 2]" 1
508 1 21 SER HA 1 21 SER HB3 . . 2.750 2.539 2.239 2.935 0.185 19 0 "[ . 1 . 2]" 1
509 1 21 SER HA 1 23 GLY H . . 3.880 3.611 3.555 3.751 . 0 0 "[ . 1 . 2]" 1
510 1 21 SER HB2 1 22 ASN H . . 4.780 3.663 3.246 4.229 . 0 0 "[ . 1 . 2]" 1
511 1 21 SER HB3 1 22 ASN H . . 4.860 3.875 3.121 4.333 . 0 0 "[ . 1 . 2]" 1
512 1 22 ASN H 1 22 ASN HB2 . . 3.020 2.295 2.138 2.480 . 0 0 "[ . 1 . 2]" 1
513 1 22 ASN H 1 22 ASN HB3 . . 3.560 3.536 3.441 3.588 0.028 6 0 "[ . 1 . 2]" 1
514 1 22 ASN H 1 23 GLY H . . 3.180 2.609 2.498 2.634 . 0 0 "[ . 1 . 2]" 1
515 1 22 ASN H 1 23 GLY HA3 . . 5.500 4.893 4.777 4.920 . 0 0 "[ . 1 . 2]" 1
516 1 22 ASN H 1 25 ARG HG3 . . 5.500 4.766 4.573 4.848 . 0 0 "[ . 1 . 2]" 1
517 1 22 ASN H 1 38 CYS HB2 . . 5.420 5.090 4.976 5.151 . 0 0 "[ . 1 . 2]" 1
518 1 22 ASN H 1 38 CYS HB3 . . 5.160 4.874 4.747 4.909 . 0 0 "[ . 1 . 2]" 1
519 1 22 ASN HA 1 25 ARG QD . . 4.400 2.385 2.129 2.714 . 0 0 "[ . 1 . 2]" 1
520 1 22 ASN HA 1 25 ARG HG3 . . 4.210 2.410 2.169 2.502 . 0 0 "[ . 1 . 2]" 1
521 1 22 ASN HB2 1 23 GLY H . . 4.070 3.219 3.133 3.357 . 0 0 "[ . 1 . 2]" 1
522 1 22 ASN HB2 1 23 GLY HA2 . . 4.770 4.608 4.371 4.856 0.086 9 0 "[ . 1 . 2]" 1
523 1 22 ASN HB2 1 38 CYS HB2 . . 3.860 3.079 2.753 3.299 . 0 0 "[ . 1 . 2]" 1
524 1 22 ASN HB2 1 43 TRP HZ2 . . 5.500 4.111 3.865 4.195 . 0 0 "[ . 1 . 2]" 1
525 1 22 ASN HB3 1 23 GLY H . . 4.470 3.860 3.700 4.027 . 0 0 "[ . 1 . 2]" 1
526 1 22 ASN HB3 1 23 GLY HA2 . . 5.010 4.381 4.195 4.600 . 0 0 "[ . 1 . 2]" 1
527 1 22 ASN HB3 1 25 ARG H . . 5.370 4.886 4.830 4.960 . 0 0 "[ . 1 . 2]" 1
528 1 22 ASN HB3 1 38 CYS H . . 5.170 4.090 3.903 4.207 . 0 0 "[ . 1 . 2]" 1
529 1 22 ASN HB3 1 38 CYS HB2 . . 4.540 2.228 2.016 2.378 . 0 0 "[ . 1 . 2]" 1
530 1 22 ASN HB3 1 43 TRP HZ2 . . 5.390 3.028 2.810 3.196 . 0 0 "[ . 1 . 2]" 1
531 1 23 GLY H 1 23 GLY HA2 . . 2.930 2.817 2.809 2.850 . 0 0 "[ . 1 . 2]" 1
532 1 23 GLY H 1 24 ASP H . . 4.410 2.676 2.623 2.693 . 0 0 "[ . 1 . 2]" 1
533 1 23 GLY H 1 25 ARG QD . . 5.500 5.303 5.292 5.327 . 0 0 "[ . 1 . 2]" 1
534 1 23 GLY H 1 38 CYS HB3 . . 5.370 3.403 3.363 3.442 . 0 0 "[ . 1 . 2]" 1
535 1 23 GLY HA2 1 24 ASP H . . 3.390 3.396 3.344 3.405 0.015 9 0 "[ . 1 . 2]" 1
536 1 23 GLY HA2 1 24 ASP HA . . 5.450 4.538 4.526 4.555 . 0 0 "[ . 1 . 2]" 1
537 1 23 GLY HA2 1 25 ARG H . . 4.810 3.745 3.568 3.838 . 0 0 "[ . 1 . 2]" 1
538 1 23 GLY HA2 1 38 CYS HB3 . . 5.500 1.982 1.964 1.990 . 0 0 "[ . 1 . 2]" 1
539 1 23 GLY HA3 1 24 ASP H . . 3.170 3.132 3.119 3.201 0.031 16 0 "[ . 1 . 2]" 1
540 1 23 GLY HA3 1 24 ASP HB2 . . 5.220 4.614 4.448 5.166 . 0 0 "[ . 1 . 2]" 1
541 1 23 GLY HA3 1 25 ARG H . . 4.650 4.577 4.460 4.651 0.001 9 0 "[ . 1 . 2]" 1
542 1 24 ASP H 1 24 ASP HB2 . . 3.520 2.604 2.339 2.873 . 0 0 "[ . 1 . 2]" 1
543 1 24 ASP H 1 24 ASP HB3 . . 3.880 3.080 2.686 3.703 . 0 0 "[ . 1 . 2]" 1
544 1 24 ASP H 1 25 ARG H . . 3.130 2.673 2.488 2.741 . 0 0 "[ . 1 . 2]" 1
545 1 24 ASP H 1 25 ARG HG3 . . 5.020 2.866 2.700 3.193 . 0 0 "[ . 1 . 2]" 1
546 1 24 ASP HA 1 25 ARG HA . . 4.990 4.383 4.375 4.401 . 0 0 "[ . 1 . 2]" 1
547 1 24 ASP HA 1 25 ARG HG2 . . 5.080 4.837 4.679 4.870 . 0 0 "[ . 1 . 2]" 1
548 1 24 ASP HA 1 25 ARG HG3 . . 4.730 4.548 4.473 4.988 0.258 16 0 "[ . 1 . 2]" 1
549 1 24 ASP HB2 1 25 ARG H . . 5.420 4.392 4.114 4.560 . 0 0 "[ . 1 . 2]" 1
550 1 24 ASP HB3 1 25 ARG H . . 5.380 4.178 4.069 4.437 . 0 0 "[ . 1 . 2]" 1
551 1 25 ARG H 1 25 ARG HB2 . . 3.970 3.108 3.023 3.707 . 0 0 "[ . 1 . 2]" 1
552 1 25 ARG H 1 25 ARG HB3 . . 3.660 3.922 3.719 3.951 0.291 8 0 "[ . 1 . 2]" 1
553 1 25 ARG H 1 25 ARG QD . . 5.070 4.432 4.168 4.569 . 0 0 "[ . 1 . 2]" 1
554 1 25 ARG H 1 25 ARG HG2 . . 3.660 3.613 3.020 3.700 0.040 18 0 "[ . 1 . 2]" 1
555 1 25 ARG H 1 25 ARG HG3 . . 2.990 2.787 2.326 2.910 . 0 0 "[ . 1 . 2]" 1
556 1 25 ARG H 1 26 HIS H . . 5.500 4.396 4.372 4.413 . 0 0 "[ . 1 . 2]" 1
557 1 25 ARG H 1 26 HIS HA . . 5.440 4.708 4.663 4.726 . 0 0 "[ . 1 . 2]" 1
558 1 25 ARG H 1 38 CYS H . . 5.500 4.284 4.199 4.596 . 0 0 "[ . 1 . 2]" 1
559 1 25 ARG HA 1 25 ARG QD . . 4.800 4.112 4.031 4.321 . 0 0 "[ . 1 . 2]" 1
560 1 25 ARG HA 1 25 ARG HG2 . . 3.370 2.835 2.706 3.617 0.247 16 0 "[ . 1 . 2]" 1
561 1 25 ARG HA 1 25 ARG HG3 . . 4.190 3.446 3.412 3.658 . 0 0 "[ . 1 . 2]" 1
562 1 25 ARG HA 1 26 HIS H . . 2.570 2.353 2.297 2.447 . 0 0 "[ . 1 . 2]" 1
563 1 25 ARG HA 1 26 HIS HA . . 4.950 4.413 4.395 4.448 . 0 0 "[ . 1 . 2]" 1
564 1 25 ARG HA 1 26 HIS HB2 . . 4.480 4.416 4.396 4.517 0.037 11 0 "[ . 1 . 2]" 1
565 1 25 ARG HA 1 27 PHE QE . . 5.480 4.726 4.497 5.471 . 0 0 "[ . 1 . 2]" 1
566 1 25 ARG HA 1 61 GLY H . . 4.740 3.981 3.635 4.236 . 0 0 "[ . 1 . 2]" 1
567 1 25 ARG HB2 1 26 HIS H . . 4.160 3.349 2.589 3.558 . 0 0 "[ . 1 . 2]" 1
568 1 25 ARG HB2 1 27 PHE QE . . 4.580 2.224 1.981 2.879 . 0 0 "[ . 1 . 2]" 1
569 1 25 ARG HB2 1 60 GLY QA . . 4.620 3.710 2.361 4.035 . 0 0 "[ . 1 . 2]" 1
570 1 25 ARG HB2 1 61 GLY H . . 5.420 5.099 3.432 5.329 . 0 0 "[ . 1 . 2]" 1
571 1 25 ARG HB3 1 25 ARG QD . . 3.810 2.311 2.219 2.722 . 0 0 "[ . 1 . 2]" 1
572 1 25 ARG HB3 1 26 HIS H . . 3.840 2.745 2.467 3.423 . 0 0 "[ . 1 . 2]" 1
573 1 25 ARG HB3 1 27 PHE QD . . 5.500 4.094 3.794 5.267 . 0 0 "[ . 1 . 2]" 1
574 1 25 ARG HB3 1 27 PHE QE . . 4.400 2.836 2.510 4.301 . 0 0 "[ . 1 . 2]" 1
575 1 25 ARG HB3 1 60 GLY QA . . 4.330 2.617 2.269 3.010 . 0 0 "[ . 1 . 2]" 1
576 1 25 ARG HB3 1 61 GLY H . . 5.290 3.774 3.505 4.090 . 0 0 "[ . 1 . 2]" 1
577 1 25 ARG QD 1 27 PHE QE . . 5.030 2.627 1.899 3.386 . 0 0 "[ . 1 . 2]" 1
578 1 25 ARG QD 1 60 GLY QA . . 5.500 3.513 2.828 4.041 . 0 0 "[ . 1 . 2]" 1
579 1 25 ARG HG2 1 26 HIS H . . 4.710 4.619 4.474 5.135 0.425 11 0 "[ . 1 . 2]" 1
580 1 25 ARG HG2 1 27 PHE QE . . 5.500 4.567 4.119 4.790 . 0 0 "[ . 1 . 2]" 1
581 1 26 HIS H 1 26 HIS HB2 . . 3.270 2.520 2.472 2.591 . 0 0 "[ . 1 . 2]" 1
582 1 26 HIS H 1 26 HIS HB3 . . 3.850 3.704 3.676 3.745 . 0 0 "[ . 1 . 2]" 1
583 1 26 HIS H 1 26 HIS HD2 . . 4.460 3.951 3.706 4.154 . 0 0 "[ . 1 . 2]" 1
584 1 26 HIS H 1 27 PHE QD . . 5.500 3.740 3.573 4.044 . 0 0 "[ . 1 . 2]" 1
585 1 26 HIS H 1 35 ILE MG . . 5.500 5.404 5.267 5.512 0.012 12 0 "[ . 1 . 2]" 1
586 1 26 HIS H 1 60 GLY QA . . 4.430 2.939 2.739 3.218 . 0 0 "[ . 1 . 2]" 1
587 1 26 HIS H 1 61 GLY H . . 3.440 2.667 2.358 2.838 . 0 0 "[ . 1 . 2]" 1
588 1 26 HIS H 1 62 ALA H . . 4.370 3.638 3.444 3.791 . 0 0 "[ . 1 . 2]" 1
589 1 26 HIS H 1 62 ALA MB . . 5.500 4.253 4.115 4.376 . 0 0 "[ . 1 . 2]" 1
590 1 26 HIS HA 1 26 HIS HD2 . . 3.250 2.271 2.239 2.355 . 0 0 "[ . 1 . 2]" 1
591 1 26 HIS HA 1 27 PHE H . . 2.640 2.228 2.188 2.351 . 0 0 "[ . 1 . 2]" 1
592 1 26 HIS HA 1 27 PHE HB2 . . 4.840 4.287 4.142 4.368 . 0 0 "[ . 1 . 2]" 1
593 1 26 HIS HA 1 27 PHE QD . . 4.430 3.123 2.994 3.319 . 0 0 "[ . 1 . 2]" 1
594 1 26 HIS HA 1 35 ILE MG . . 4.170 3.803 3.609 3.980 . 0 0 "[ . 1 . 2]" 1
595 1 26 HIS HA 1 36 VAL H . . 5.420 5.364 5.258 5.471 0.051 16 0 "[ . 1 . 2]" 1
596 1 26 HIS HA 1 37 GLU H . . 5.500 5.380 5.265 5.504 0.004 20 0 "[ . 1 . 2]" 1
597 1 26 HIS HA 1 37 GLU HA . . 4.030 2.993 2.797 3.093 . 0 0 "[ . 1 . 2]" 1
598 1 26 HIS HA 1 37 GLU HB2 . . 4.360 3.330 3.174 3.674 . 0 0 "[ . 1 . 2]" 1
599 1 26 HIS HA 1 37 GLU HB3 . . 5.500 4.931 4.774 5.172 . 0 0 "[ . 1 . 2]" 1
600 1 26 HIS HA 1 37 GLU HG2 . . 5.230 5.011 4.838 5.239 0.009 9 0 "[ . 1 . 2]" 1
601 1 26 HIS HA 1 38 CYS H . . 5.500 4.323 4.072 4.445 . 0 0 "[ . 1 . 2]" 1
602 1 26 HIS HA 1 46 ILE MD . . 4.690 3.776 3.669 3.913 . 0 0 "[ . 1 . 2]" 1
603 1 26 HIS HA 1 62 ALA H . . 5.500 4.734 4.531 4.998 . 0 0 "[ . 1 . 2]" 1
604 1 26 HIS HA 1 62 ALA MB . . 4.870 3.956 3.770 4.202 . 0 0 "[ . 1 . 2]" 1
605 1 26 HIS HB2 1 27 PHE H . . 4.490 4.084 3.808 4.177 . 0 0 "[ . 1 . 2]" 1
606 1 26 HIS HB2 1 27 PHE HA . . 4.870 4.862 4.708 4.910 0.040 14 0 "[ . 1 . 2]" 1
607 1 26 HIS HB2 1 35 ILE MG . . 3.930 3.813 3.469 3.925 . 0 0 "[ . 1 . 2]" 1
608 1 26 HIS HB2 1 46 ILE MD . . 5.500 4.526 4.249 4.711 . 0 0 "[ . 1 . 2]" 1
609 1 26 HIS HB2 1 60 GLY QA . . 5.500 4.396 4.191 4.697 . 0 0 "[ . 1 . 2]" 1
610 1 26 HIS HB2 1 61 GLY H . . 4.760 3.489 3.258 3.873 . 0 0 "[ . 1 . 2]" 1
611 1 26 HIS HB2 1 61 GLY QA . . 4.740 3.523 3.237 3.984 . 0 0 "[ . 1 . 2]" 1
612 1 26 HIS HB2 1 62 ALA H . . 3.610 2.651 2.308 3.052 . 0 0 "[ . 1 . 2]" 1
613 1 26 HIS HB2 1 62 ALA MB . . 4.000 3.011 2.619 3.181 . 0 0 "[ . 1 . 2]" 1
614 1 26 HIS HB3 1 27 PHE H . . 3.870 2.942 2.562 3.089 . 0 0 "[ . 1 . 2]" 1
615 1 26 HIS HB3 1 27 PHE HA . . 4.330 4.345 4.280 4.390 0.060 14 0 "[ . 1 . 2]" 1
616 1 26 HIS HB3 1 35 ILE MG . . 3.300 2.472 2.328 2.582 . 0 0 "[ . 1 . 2]" 1
617 1 26 HIS HB3 1 36 VAL H . . 5.250 5.174 4.779 5.266 0.016 14 0 "[ . 1 . 2]" 1
618 1 26 HIS HB3 1 46 ILE MD . . 4.920 3.549 3.242 3.701 . 0 0 "[ . 1 . 2]" 1
619 1 26 HIS HB3 1 61 GLY H . . 5.500 5.016 4.809 5.352 . 0 0 "[ . 1 . 2]" 1
620 1 26 HIS HB3 1 61 GLY QA . . 5.500 4.926 4.696 5.468 . 0 0 "[ . 1 . 2]" 1
621 1 26 HIS HB3 1 62 ALA H . . 3.960 3.392 3.079 3.978 0.018 16 0 "[ . 1 . 2]" 1
622 1 26 HIS HB3 1 62 ALA MB . . 3.830 2.527 2.062 2.829 . 0 0 "[ . 1 . 2]" 1
623 1 26 HIS HD2 1 27 PHE H . . 5.440 4.240 4.095 4.468 . 0 0 "[ . 1 . 2]" 1
624 1 26 HIS HD2 1 35 ILE MG . . 4.950 4.585 4.188 4.887 . 0 0 "[ . 1 . 2]" 1
625 1 26 HIS HD2 1 37 GLU H . . 5.420 5.254 5.037 5.429 0.009 10 0 "[ . 1 . 2]" 1
626 1 26 HIS HD2 1 37 GLU HA . . 3.880 3.321 3.190 3.486 . 0 0 "[ . 1 . 2]" 1
627 1 26 HIS HD2 1 37 GLU HB2 . . 3.730 2.252 1.995 2.646 . 0 0 "[ . 1 . 2]" 1
628 1 26 HIS HD2 1 37 GLU HB3 . . 4.530 3.750 3.559 4.024 . 0 0 "[ . 1 . 2]" 1
629 1 26 HIS HD2 1 37 GLU HG2 . . 3.840 3.691 3.598 3.893 0.053 15 0 "[ . 1 . 2]" 1
630 1 26 HIS HD2 1 37 GLU HG3 . . 4.430 2.166 1.994 2.496 . 0 0 "[ . 1 . 2]" 1
631 1 26 HIS HD2 1 38 CYS H . . 5.090 4.230 4.086 4.360 . 0 0 "[ . 1 . 2]" 1
632 1 26 HIS HD2 1 46 ILE MD . . 4.550 2.867 2.580 3.171 . 0 0 "[ . 1 . 2]" 1
633 1 26 HIS HD2 1 46 ILE MG . . 5.500 4.690 4.443 5.005 . 0 0 "[ . 1 . 2]" 1
634 1 27 PHE H 1 27 PHE HB2 . . 3.510 2.629 2.557 2.684 . 0 0 "[ . 1 . 2]" 1
635 1 27 PHE H 1 27 PHE HB3 . . 4.110 3.742 3.679 3.777 . 0 0 "[ . 1 . 2]" 1
636 1 27 PHE H 1 27 PHE QD . . 4.160 2.960 2.772 3.278 . 0 0 "[ . 1 . 2]" 1
637 1 27 PHE H 1 35 ILE MG . . 3.950 2.873 2.728 3.037 . 0 0 "[ . 1 . 2]" 1
638 1 27 PHE H 1 36 VAL H . . 3.620 3.515 3.417 3.614 . 0 0 "[ . 1 . 2]" 1
639 1 27 PHE H 1 36 VAL HA . . 5.500 5.091 4.966 5.180 . 0 0 "[ . 1 . 2]" 1
640 1 27 PHE H 1 36 VAL MG2 . . 3.450 3.470 3.450 3.495 0.045 8 0 "[ . 1 . 2]" 1
641 1 27 PHE H 1 37 GLU H . . 5.290 5.100 4.998 5.217 . 0 0 "[ . 1 . 2]" 1
642 1 27 PHE H 1 37 GLU HA . . 4.490 3.371 3.260 3.501 . 0 0 "[ . 1 . 2]" 1
643 1 27 PHE H 1 37 GLU HB2 . . 5.060 4.326 4.162 4.560 . 0 0 "[ . 1 . 2]" 1
644 1 27 PHE H 1 46 ILE MD . . 4.410 4.424 4.389 4.443 0.033 14 0 "[ . 1 . 2]" 1
645 1 27 PHE H 1 62 ALA H . . 4.940 4.791 4.649 4.943 0.003 19 0 "[ . 1 . 2]" 1
646 1 27 PHE H 1 62 ALA MB . . 4.520 3.181 3.070 3.400 . 0 0 "[ . 1 . 2]" 1
647 1 27 PHE HA 1 27 PHE QD . . 4.350 3.071 2.983 3.106 . 0 0 "[ . 1 . 2]" 1
648 1 27 PHE HA 1 27 PHE QE . . 5.320 4.581 4.508 4.626 . 0 0 "[ . 1 . 2]" 1
649 1 27 PHE HA 1 28 CYS H . . 3.320 2.241 2.227 2.289 . 0 0 "[ . 1 . 2]" 1
650 1 27 PHE HA 1 60 GLY QA . . 4.670 3.684 3.553 3.775 . 0 0 "[ . 1 . 2]" 1
651 1 27 PHE HA 1 61 GLY H . . 5.500 5.533 5.499 5.558 0.058 11 0 "[ . 1 . 2]" 1
652 1 27 PHE HA 1 62 ALA H . . 4.250 3.827 3.681 4.240 . 0 0 "[ . 1 . 2]" 1
653 1 27 PHE HA 1 62 ALA MB . . 3.460 2.287 2.139 2.567 . 0 0 "[ . 1 . 2]" 1
654 1 27 PHE HB2 1 28 CYS H . . 4.120 4.094 4.044 4.122 0.002 1 0 "[ . 1 . 2]" 1
655 1 27 PHE HB2 1 36 VAL H . . 5.150 4.246 4.128 4.363 . 0 0 "[ . 1 . 2]" 1
656 1 27 PHE HB2 1 36 VAL MG2 . . 3.530 2.861 2.740 3.015 . 0 0 "[ . 1 . 2]" 1
657 1 27 PHE HB3 1 28 CYS H . . 2.910 2.904 2.777 2.936 0.026 8 0 "[ . 1 . 2]" 1
658 1 27 PHE HB3 1 36 VAL H . . 5.480 4.754 4.437 5.009 . 0 0 "[ . 1 . 2]" 1
659 1 27 PHE HB3 1 36 VAL MG2 . . 4.440 3.543 3.242 3.846 . 0 0 "[ . 1 . 2]" 1
660 1 27 PHE HB3 1 62 ALA MB . . 5.500 4.228 4.085 4.513 . 0 0 "[ . 1 . 2]" 1
661 1 27 PHE QD 1 28 CYS H . . 4.290 3.932 3.643 4.081 . 0 0 "[ . 1 . 2]" 1
662 1 27 PHE QD 1 60 GLY QA . . 5.500 3.542 3.330 3.700 . 0 0 "[ . 1 . 2]" 1
663 1 27 PHE QD 1 62 ALA MB . . 5.500 4.224 4.149 4.570 . 0 0 "[ . 1 . 2]" 1
664 1 27 PHE QE 1 59 GLN HA . . 5.500 5.134 5.015 5.349 . 0 0 "[ . 1 . 2]" 1
665 1 27 PHE QE 1 60 GLY H . . 4.110 4.178 4.152 4.208 0.098 18 0 "[ . 1 . 2]" 1
666 1 27 PHE QE 1 60 GLY QA . . 4.980 3.113 2.905 3.392 . 0 0 "[ . 1 . 2]" 1
667 1 28 CYS H 1 28 CYS HB2 . . 3.260 2.280 2.247 2.320 . 0 0 "[ . 1 . 2]" 1
668 1 28 CYS H 1 28 CYS HB3 . . 3.900 3.550 3.533 3.577 . 0 0 "[ . 1 . 2]" 1
669 1 28 CYS H 1 29 GLY H . . 4.730 4.454 4.412 4.493 . 0 0 "[ . 1 . 2]" 1
670 1 28 CYS H 1 36 VAL MG2 . . 5.180 4.828 4.676 5.004 . 0 0 "[ . 1 . 2]" 1
671 1 28 CYS H 1 62 ALA MB . . 4.280 2.380 2.206 2.624 . 0 0 "[ . 1 . 2]" 1
672 1 28 CYS HA 1 29 GLY H . . 2.790 2.147 2.144 2.151 . 0 0 "[ . 1 . 2]" 1
673 1 28 CYS HA 1 29 GLY HA3 . . 4.550 4.389 4.385 4.394 . 0 0 "[ . 1 . 2]" 1
674 1 28 CYS HA 1 32 ARG HA . . 4.810 4.776 4.614 4.843 0.033 19 0 "[ . 1 . 2]" 1
675 1 28 CYS HA 1 34 GLY H . . 5.420 4.995 4.823 5.104 . 0 0 "[ . 1 . 2]" 1
676 1 28 CYS HA 1 35 ILE HA . . 3.100 2.156 2.077 2.290 . 0 0 "[ . 1 . 2]" 1
677 1 28 CYS HA 1 35 ILE MD . . 4.320 4.352 4.323 4.393 0.073 9 0 "[ . 1 . 2]" 1
678 1 28 CYS HA 1 35 ILE HG12 . . 5.500 3.027 2.795 3.189 . 0 0 "[ . 1 . 2]" 1
679 1 28 CYS HA 1 35 ILE HG13 . . 4.890 4.345 3.583 4.591 . 0 0 "[ . 1 . 2]" 1
680 1 28 CYS HA 1 36 VAL H . . 3.830 3.213 3.104 3.376 . 0 0 "[ . 1 . 2]" 1
681 1 28 CYS HA 1 36 VAL MG2 . . 4.620 4.230 4.101 4.400 . 0 0 "[ . 1 . 2]" 1
682 1 28 CYS HA 1 54 CYS HB2 . . 5.500 5.298 5.160 5.427 . 0 0 "[ . 1 . 2]" 1
683 1 28 CYS HA 1 62 ALA MB . . 4.390 3.199 3.066 3.371 . 0 0 "[ . 1 . 2]" 1
684 1 28 CYS HB2 1 29 GLY H . . 4.430 4.403 4.359 4.429 . 0 0 "[ . 1 . 2]" 1
685 1 28 CYS HB2 1 32 ARG HA . . 4.670 4.319 4.218 4.399 . 0 0 "[ . 1 . 2]" 1
686 1 28 CYS HB2 1 32 ARG HG2 . . 5.500 5.193 4.826 5.460 . 0 0 "[ . 1 . 2]" 1
687 1 28 CYS HB2 1 35 ILE HA . . 5.370 5.099 4.999 5.272 . 0 0 "[ . 1 . 2]" 1
688 1 28 CYS HB2 1 62 ALA MB . . 5.500 3.039 2.873 3.450 . 0 0 "[ . 1 . 2]" 1
689 1 28 CYS HB3 1 29 GLY H . . 3.730 3.437 3.378 3.481 . 0 0 "[ . 1 . 2]" 1
690 1 28 CYS HB3 1 32 ARG HA . . 3.770 2.737 2.642 2.799 . 0 0 "[ . 1 . 2]" 1
691 1 28 CYS HB3 1 32 ARG HG2 . . 4.700 4.497 4.072 4.721 0.021 16 0 "[ . 1 . 2]" 1
692 1 28 CYS HB3 1 35 ILE HG12 . . 4.660 4.193 4.138 4.250 . 0 0 "[ . 1 . 2]" 1
693 1 28 CYS HB3 1 54 CYS HA . . 4.870 4.719 4.596 4.829 . 0 0 "[ . 1 . 2]" 1
694 1 28 CYS HB3 1 54 CYS HB2 . . 4.500 3.887 3.741 3.978 . 0 0 "[ . 1 . 2]" 1
695 1 29 GLY H 1 32 ARG H . . 4.840 4.396 4.285 4.437 . 0 0 "[ . 1 . 2]" 1
696 1 29 GLY H 1 32 ARG HA . . 4.560 4.424 4.182 4.552 . 0 0 "[ . 1 . 2]" 1
697 1 29 GLY H 1 33 THR H . . 5.400 4.936 4.862 5.002 . 0 0 "[ . 1 . 2]" 1
698 1 29 GLY H 1 34 GLY H . . 3.850 3.748 3.669 3.806 . 0 0 "[ . 1 . 2]" 1
699 1 29 GLY H 1 35 ILE HA . . 4.420 2.571 2.503 2.647 . 0 0 "[ . 1 . 2]" 1
700 1 29 GLY H 1 35 ILE HG13 . . 5.500 5.090 4.411 5.326 . 0 0 "[ . 1 . 2]" 1
701 1 29 GLY H 1 36 VAL H . . 5.350 3.328 3.200 3.429 . 0 0 "[ . 1 . 2]" 1
702 1 29 GLY H 1 36 VAL MG1 . . 4.570 3.488 3.276 3.681 . 0 0 "[ . 1 . 2]" 1
703 1 29 GLY H 1 36 VAL MG2 . . 4.680 3.777 3.632 3.900 . 0 0 "[ . 1 . 2]" 1
704 1 29 GLY HA2 1 30 CYS H . . 3.250 2.312 2.305 2.329 . 0 0 "[ . 1 . 2]" 1
705 1 29 GLY HA2 1 30 CYS HA . . 4.390 4.294 4.292 4.294 . 0 0 "[ . 1 . 2]" 1
706 1 29 GLY HA2 1 31 ASP H . . 4.340 3.953 3.919 4.027 . 0 0 "[ . 1 . 2]" 1
707 1 29 GLY HA2 1 35 ILE HA . . 5.080 5.022 4.912 5.110 0.030 16 0 "[ . 1 . 2]" 1
708 1 29 GLY HA2 1 36 VAL MG1 . . 4.820 3.470 3.339 3.604 . 0 0 "[ . 1 . 2]" 1
709 1 29 GLY HA2 1 36 VAL MG2 . . 5.140 3.312 3.041 3.569 . 0 0 "[ . 1 . 2]" 1
710 1 29 GLY HA3 1 30 CYS H . . 3.430 2.851 2.828 2.860 . 0 0 "[ . 1 . 2]" 1
711 1 29 GLY HA3 1 30 CYS HA . . 5.210 4.745 4.735 4.751 . 0 0 "[ . 1 . 2]" 1
712 1 29 GLY HA3 1 31 ASP H . . 4.940 3.098 3.057 3.184 . 0 0 "[ . 1 . 2]" 1
713 1 29 GLY HA3 1 32 ARG H . . 5.500 3.573 3.440 3.628 . 0 0 "[ . 1 . 2]" 1
714 1 29 GLY HA3 1 34 GLY H . . 5.180 3.789 3.626 3.913 . 0 0 "[ . 1 . 2]" 1
715 1 29 GLY HA3 1 35 ILE HA . . 4.720 4.667 4.578 4.758 0.038 16 0 "[ . 1 . 2]" 1
716 1 29 GLY HA3 1 36 VAL MG1 . . 4.640 3.516 3.365 3.686 . 0 0 "[ . 1 . 2]" 1
717 1 29 GLY HA3 1 36 VAL MG2 . . 5.280 4.162 3.919 4.396 . 0 0 "[ . 1 . 2]" 1
718 1 30 CYS H 1 30 CYS HB2 . . 3.900 2.155 2.063 2.435 . 0 0 "[ . 1 . 2]" 1
719 1 30 CYS H 1 30 CYS HB3 . . 3.380 3.329 3.162 3.583 0.203 12 0 "[ . 1 . 2]" 1
720 1 30 CYS H 1 31 ASP H . . 3.610 2.672 2.662 2.684 . 0 0 "[ . 1 . 2]" 1
721 1 30 CYS H 1 32 ARG H . . 5.140 4.081 4.028 4.119 . 0 0 "[ . 1 . 2]" 1
722 1 30 CYS H 1 36 VAL MG1 . . 5.500 5.100 4.936 5.284 . 0 0 "[ . 1 . 2]" 1
723 1 30 CYS HA 1 32 ARG H . . 5.100 3.682 3.658 3.761 . 0 0 "[ . 1 . 2]" 1
724 1 30 CYS HB2 1 31 ASP H . . 4.450 3.409 3.002 3.613 . 0 0 "[ . 1 . 2]" 1
725 1 30 CYS HB3 1 31 ASP H . . 4.710 3.470 3.148 3.953 . 0 0 "[ . 1 . 2]" 1
726 1 31 ASP H 1 31 ASP HB2 . . 3.510 2.376 2.195 2.821 . 0 0 "[ . 1 . 2]" 1
727 1 31 ASP H 1 32 ARG H . . 3.220 2.409 2.340 2.441 . 0 0 "[ . 1 . 2]" 1
728 1 31 ASP H 1 32 ARG HA . . 4.950 4.640 4.568 4.669 . 0 0 "[ . 1 . 2]" 1
729 1 31 ASP H 1 33 THR H . . 4.080 3.803 3.715 3.834 . 0 0 "[ . 1 . 2]" 1
730 1 31 ASP H 1 33 THR MG . . 5.500 5.191 4.130 5.291 . 0 0 "[ . 1 . 2]" 1
731 1 31 ASP H 1 34 GLY H . . 5.440 4.742 4.689 4.811 . 0 0 "[ . 1 . 2]" 1
732 1 31 ASP HA 1 32 ARG HB2 . . 5.500 4.426 4.327 4.526 . 0 0 "[ . 1 . 2]" 1
733 1 31 ASP HA 1 32 ARG QD . . 4.600 3.585 2.992 4.463 . 0 0 "[ . 1 . 2]" 1
734 1 31 ASP HA 1 33 THR H . . 4.360 4.219 4.172 4.232 . 0 0 "[ . 1 . 2]" 1
735 1 31 ASP HA 1 33 THR MG . . 4.190 4.193 3.977 4.217 0.027 15 0 "[ . 1 . 2]" 1
736 1 31 ASP HA 1 52 ALA MB . . 5.180 3.994 3.824 4.130 . 0 0 "[ . 1 . 2]" 1
737 1 31 ASP HB2 1 32 ARG H . . 5.160 3.428 3.351 3.961 . 0 0 "[ . 1 . 2]" 1
738 1 31 ASP HB2 1 33 THR HB . . 5.500 4.872 4.295 5.327 . 0 0 "[ . 1 . 2]" 1
739 1 31 ASP HB2 1 33 THR MG . . 5.380 3.678 3.105 3.971 . 0 0 "[ . 1 . 2]" 1
740 1 31 ASP HB2 1 52 ALA MB . . 5.210 4.986 4.462 5.234 0.024 12 0 "[ . 1 . 2]" 1
741 1 31 ASP HB3 1 32 ARG H . . 4.860 4.047 3.355 4.381 . 0 0 "[ . 1 . 2]" 1
742 1 31 ASP HB3 1 32 ARG HB2 . . 5.500 5.093 4.929 5.428 . 0 0 "[ . 1 . 2]" 1
743 1 31 ASP HB3 1 33 THR H . . 5.080 3.167 2.343 3.801 . 0 0 "[ . 1 . 2]" 1
744 1 31 ASP HB3 1 33 THR HB . . 4.580 4.477 3.705 5.078 0.498 19 0 "[ . 1 . 2]" 1
745 1 31 ASP HB3 1 33 THR MG . . 4.640 2.719 1.827 3.202 . 0 0 "[ . 1 . 2]" 1
746 1 31 ASP HB3 1 52 ALA HA . . 5.210 4.796 4.566 5.333 0.123 19 0 "[ . 1 . 2]" 1
747 1 31 ASP HB3 1 52 ALA MB . . 4.760 3.870 3.683 4.355 . 0 0 "[ . 1 . 2]" 1
748 1 32 ARG H 1 32 ARG HG2 . . 4.530 4.004 3.597 4.129 . 0 0 "[ . 1 . 2]" 1
749 1 32 ARG H 1 32 ARG HG3 . . 4.250 2.550 2.505 2.636 . 0 0 "[ . 1 . 2]" 1
750 1 32 ARG H 1 33 THR H . . 3.710 2.686 2.666 2.699 . 0 0 "[ . 1 . 2]" 1
751 1 32 ARG H 1 33 THR MG . . 5.500 4.552 4.076 4.645 . 0 0 "[ . 1 . 2]" 1
752 1 32 ARG H 1 54 CYS H . . 5.500 5.261 5.103 5.349 . 0 0 "[ . 1 . 2]" 1
753 1 32 ARG H 1 54 CYS HB3 . . 5.270 4.370 4.300 4.472 . 0 0 "[ . 1 . 2]" 1
754 1 32 ARG HA 1 32 ARG HG2 . . 3.530 3.159 2.790 3.402 . 0 0 "[ . 1 . 2]" 1
755 1 32 ARG HA 1 32 ARG HG3 . . 3.970 2.697 2.565 2.995 . 0 0 "[ . 1 . 2]" 1
756 1 32 ARG HA 1 33 THR MG . . 5.450 4.754 4.653 4.925 . 0 0 "[ . 1 . 2]" 1
757 1 32 ARG HA 1 34 GLY H . . 4.030 3.709 3.607 3.777 . 0 0 "[ . 1 . 2]" 1
758 1 32 ARG HA 1 52 ALA HA . . 5.370 4.236 4.120 4.307 . 0 0 "[ . 1 . 2]" 1
759 1 32 ARG HA 1 54 CYS H . . 4.240 3.287 3.119 3.389 . 0 0 "[ . 1 . 2]" 1
760 1 32 ARG HA 1 54 CYS HB2 . . 3.950 3.415 3.287 3.517 . 0 0 "[ . 1 . 2]" 1
761 1 32 ARG HA 1 54 CYS HB3 . . 3.430 2.167 2.122 2.244 . 0 0 "[ . 1 . 2]" 1
762 1 32 ARG HB2 1 33 THR H . . 5.500 3.905 3.853 3.927 . 0 0 "[ . 1 . 2]" 1
763 1 32 ARG HB2 1 52 ALA HA . . 4.850 2.444 2.171 2.676 . 0 0 "[ . 1 . 2]" 1
764 1 32 ARG HB2 1 53 SER H . . 4.950 3.376 3.125 3.619 . 0 0 "[ . 1 . 2]" 1
765 1 32 ARG HB2 1 54 CYS H . . 3.370 3.111 2.952 3.244 . 0 0 "[ . 1 . 2]" 1
766 1 32 ARG HB2 1 54 CYS HB2 . . 5.050 4.875 4.590 5.051 0.001 8 0 "[ . 1 . 2]" 1
767 1 32 ARG HB3 1 33 THR H . . 5.500 4.472 4.437 4.511 . 0 0 "[ . 1 . 2]" 1
768 1 32 ARG HB3 1 52 ALA HA . . 4.010 3.393 3.296 3.439 . 0 0 "[ . 1 . 2]" 1
769 1 32 ARG HB3 1 52 ALA MB . . 3.900 3.925 3.832 3.957 0.057 3 0 "[ . 1 . 2]" 1
770 1 32 ARG HB3 1 53 SER H . . 5.500 3.086 2.874 3.164 . 0 0 "[ . 1 . 2]" 1
771 1 32 ARG HB3 1 54 CYS H . . 4.080 1.946 1.927 1.976 . 0 0 "[ . 1 . 2]" 1
772 1 32 ARG HB3 1 54 CYS HB3 . . 4.710 3.030 2.872 3.207 . 0 0 "[ . 1 . 2]" 1
773 1 32 ARG QD 1 52 ALA MB . . 5.490 2.841 2.303 3.352 . 0 0 "[ . 1 . 2]" 1
774 1 32 ARG QD 1 54 CYS H . . 5.290 4.709 4.002 4.935 . 0 0 "[ . 1 . 2]" 1
775 1 32 ARG HG2 1 54 CYS H . . 5.360 4.060 3.967 4.164 . 0 0 "[ . 1 . 2]" 1
776 1 32 ARG HG2 1 54 CYS HB2 . . 5.500 5.455 5.267 5.526 0.026 12 0 "[ . 1 . 2]" 1
777 1 32 ARG HG2 1 54 CYS HB3 . . 4.650 4.205 3.894 4.369 . 0 0 "[ . 1 . 2]" 1
778 1 32 ARG HG3 1 33 THR H . . 5.500 4.610 4.577 4.672 . 0 0 "[ . 1 . 2]" 1
779 1 32 ARG HG3 1 52 ALA MB . . 5.220 4.550 4.306 4.838 . 0 0 "[ . 1 . 2]" 1
780 1 33 THR H 1 33 THR MG . . 3.330 2.805 2.077 2.884 . 0 0 "[ . 1 . 2]" 1
781 1 33 THR H 1 34 GLY H . . 3.010 2.060 2.027 2.140 . 0 0 "[ . 1 . 2]" 1
782 1 33 THR H 1 34 GLY HA2 . . 4.960 4.799 4.746 4.866 . 0 0 "[ . 1 . 2]" 1
783 1 33 THR H 1 52 ALA HA . . 4.690 3.596 3.431 3.649 . 0 0 "[ . 1 . 2]" 1
784 1 33 THR H 1 52 ALA MB . . 5.400 4.214 4.139 4.264 . 0 0 "[ . 1 . 2]" 1
785 1 33 THR H 1 53 SER H . . 5.080 5.066 4.724 5.112 0.032 17 0 "[ . 1 . 2]" 1
786 1 33 THR H 1 54 CYS HB2 . . 5.500 4.738 4.522 4.928 . 0 0 "[ . 1 . 2]" 1
787 1 33 THR HA 1 33 THR MG . . 3.240 2.349 2.177 3.191 . 0 0 "[ . 1 . 2]" 1
788 1 33 THR HA 1 49 CYS H . . 4.310 4.210 4.031 4.312 0.002 18 0 "[ . 1 . 2]" 1
789 1 33 THR HA 1 49 CYS QB . . 3.450 2.735 2.324 2.918 . 0 0 "[ . 1 . 2]" 1
790 1 33 THR HA 1 50 GLY H . . 5.500 3.793 3.525 3.909 . 0 0 "[ . 1 . 2]" 1
791 1 33 THR HA 1 51 GLY H . . 5.190 3.731 3.267 3.859 . 0 0 "[ . 1 . 2]" 1
792 1 33 THR HA 1 52 ALA H . . 5.500 4.181 4.057 4.324 . 0 0 "[ . 1 . 2]" 1
793 1 33 THR HA 1 52 ALA HA . . 3.030 2.803 2.672 3.064 0.034 12 0 "[ . 1 . 2]" 1
794 1 33 THR HA 1 52 ALA MB . . 4.570 4.063 3.968 4.389 . 0 0 "[ . 1 . 2]" 1
795 1 33 THR HA 1 53 SER H . . 4.030 3.549 3.355 3.683 . 0 0 "[ . 1 . 2]" 1
796 1 33 THR HB 1 34 GLY H . . 4.380 4.014 3.868 4.375 . 0 0 "[ . 1 . 2]" 1
797 1 33 THR HB 1 50 GLY H . . 4.670 3.712 3.523 4.721 0.051 12 0 "[ . 1 . 2]" 1
798 1 33 THR HB 1 51 GLY H . . 5.500 4.760 4.372 4.922 . 0 0 "[ . 1 . 2]" 1
799 1 33 THR MG 1 34 GLY H . . 4.400 4.109 2.751 4.214 . 0 0 "[ . 1 . 2]" 1
800 1 33 THR MG 1 49 CYS H . . 5.500 5.487 4.773 5.553 0.053 14 0 "[ . 1 . 2]" 1
801 1 33 THR MG 1 49 CYS QB . . 5.500 4.287 4.152 4.353 . 0 0 "[ . 1 . 2]" 1
802 1 33 THR MG 1 50 GLY H . . 5.500 4.554 4.153 4.694 . 0 0 "[ . 1 . 2]" 1
803 1 33 THR MG 1 51 GLY H . . 5.160 4.150 3.852 5.116 . 0 0 "[ . 1 . 2]" 1
804 1 33 THR MG 1 51 GLY HA2 . . 4.600 2.849 2.537 4.600 0.000 12 0 "[ . 1 . 2]" 1
805 1 33 THR MG 1 52 ALA H . . 4.360 2.612 2.445 4.526 0.166 12 0 "[ . 1 . 2]" 1
806 1 33 THR MG 1 52 ALA HA . . 3.790 2.229 1.954 3.871 0.081 12 0 "[ . 1 . 2]" 1
807 1 33 THR MG 1 52 ALA MB . . 3.800 2.085 1.891 3.574 . 0 0 "[ . 1 . 2]" 1
808 1 33 THR MG 1 53 SER H . . 5.200 4.022 3.858 5.352 0.152 12 0 "[ . 1 . 2]" 1
809 1 34 GLY H 1 35 ILE H . . 5.500 4.407 4.342 4.423 . 0 0 "[ . 1 . 2]" 1
810 1 34 GLY H 1 35 ILE HA . . 4.980 4.733 4.685 4.757 . 0 0 "[ . 1 . 2]" 1
811 1 34 GLY H 1 49 CYS H . . 4.830 4.191 4.032 4.264 . 0 0 "[ . 1 . 2]" 1
812 1 34 GLY H 1 54 CYS HB2 . . 4.760 4.429 4.049 4.672 . 0 0 "[ . 1 . 2]" 1
813 1 34 GLY H 1 54 CYS HB3 . . 4.860 4.330 4.081 4.599 . 0 0 "[ . 1 . 2]" 1
814 1 34 GLY HA2 1 35 ILE H . . 3.080 2.309 2.229 2.355 . 0 0 "[ . 1 . 2]" 1
815 1 34 GLY HA2 1 35 ILE HB . . 5.080 4.804 4.634 4.898 . 0 0 "[ . 1 . 2]" 1
816 1 34 GLY HA2 1 35 ILE HG12 . . 5.500 4.489 4.232 5.151 . 0 0 "[ . 1 . 2]" 1
817 1 34 GLY HA2 1 35 ILE HG13 . . 5.500 3.370 3.314 3.522 . 0 0 "[ . 1 . 2]" 1
818 1 34 GLY HA2 1 36 VAL MG1 . . 5.500 5.245 5.109 5.310 . 0 0 "[ . 1 . 2]" 1
819 1 34 GLY HA2 1 45 GLU HG2 . . 5.240 4.945 4.707 5.139 . 0 0 "[ . 1 . 2]" 1
820 1 34 GLY HA2 1 45 GLU HG3 . . 4.880 4.447 4.317 4.543 . 0 0 "[ . 1 . 2]" 1
821 1 34 GLY HA2 1 47 GLN H . . 5.500 5.238 5.060 5.325 . 0 0 "[ . 1 . 2]" 1
822 1 34 GLY HA2 1 48 ASP HB2 . . 5.500 4.705 4.488 4.903 . 0 0 "[ . 1 . 2]" 1
823 1 34 GLY HA2 1 49 CYS H . . 3.980 1.928 1.909 1.986 . 0 0 "[ . 1 . 2]" 1
824 1 34 GLY HA2 1 49 CYS QB . . 5.490 3.006 2.867 3.118 . 0 0 "[ . 1 . 2]" 1
825 1 34 GLY HA3 1 35 ILE H . . 3.350 2.857 2.796 2.980 . 0 0 "[ . 1 . 2]" 1
826 1 34 GLY HA3 1 36 VAL MG1 . . 5.500 4.291 4.222 4.339 . 0 0 "[ . 1 . 2]" 1
827 1 34 GLY HA3 1 45 GLU HG2 . . 4.770 4.322 4.119 4.541 . 0 0 "[ . 1 . 2]" 1
828 1 34 GLY HA3 1 45 GLU HG3 . . 4.580 3.426 3.289 3.511 . 0 0 "[ . 1 . 2]" 1
829 1 34 GLY HA3 1 48 ASP HA . . 3.680 3.207 3.099 3.344 . 0 0 "[ . 1 . 2]" 1
830 1 34 GLY HA3 1 48 ASP HB2 . . 5.290 5.050 4.718 5.265 . 0 0 "[ . 1 . 2]" 1
831 1 34 GLY HA3 1 49 CYS H . . 4.280 3.509 3.417 3.650 . 0 0 "[ . 1 . 2]" 1
832 1 34 GLY HA3 1 49 CYS QB . . 4.470 4.394 4.313 4.434 . 0 0 "[ . 1 . 2]" 1
833 1 35 ILE H 1 35 ILE HB . . 3.120 2.704 2.559 2.779 . 0 0 "[ . 1 . 2]" 1
834 1 35 ILE H 1 35 ILE MD . . 4.410 3.855 3.613 3.953 . 0 0 "[ . 1 . 2]" 1
835 1 35 ILE H 1 35 ILE HG12 . . 3.660 3.573 3.372 4.054 0.394 17 0 "[ . 1 . 2]" 1
836 1 35 ILE H 1 35 ILE QG . . 4.270 2.399 2.270 2.670 . 0 0 "[ . 1 . 2]" 1
837 1 35 ILE H 1 35 ILE HG13 . . 3.980 2.438 2.307 2.708 . 0 0 "[ . 1 . 2]" 1
838 1 35 ILE H 1 35 ILE MG . . 4.190 3.862 3.816 3.887 . 0 0 "[ . 1 . 2]" 1
839 1 35 ILE H 1 36 VAL H . . 4.770 4.445 4.412 4.460 . 0 0 "[ . 1 . 2]" 1
840 1 35 ILE H 1 45 GLU HG2 . . 4.700 3.821 3.409 4.003 . 0 0 "[ . 1 . 2]" 1
841 1 35 ILE H 1 45 GLU QG . . 4.350 3.152 2.998 3.238 . 0 0 "[ . 1 . 2]" 1
842 1 35 ILE H 1 45 GLU HG3 . . 4.270 3.369 3.245 3.561 . 0 0 "[ . 1 . 2]" 1
843 1 35 ILE H 1 46 ILE H . . 4.640 4.279 4.174 4.379 . 0 0 "[ . 1 . 2]" 1
844 1 35 ILE H 1 46 ILE HG12 . . 5.460 5.281 5.079 5.479 0.019 13 0 "[ . 1 . 2]" 1
845 1 35 ILE H 1 46 ILE HG13 . . 5.500 5.101 4.950 5.249 . 0 0 "[ . 1 . 2]" 1
846 1 35 ILE H 1 47 GLN H . . 3.440 3.254 3.171 3.340 . 0 0 "[ . 1 . 2]" 1
847 1 35 ILE H 1 47 GLN HB2 . . 4.630 4.650 4.615 4.680 0.050 1 0 "[ . 1 . 2]" 1
848 1 35 ILE H 1 47 GLN HB3 . . 4.210 3.222 3.151 3.424 . 0 0 "[ . 1 . 2]" 1
849 1 35 ILE H 1 47 GLN HE22 . . 5.500 5.236 5.001 5.401 . 0 0 "[ . 1 . 2]" 1
850 1 35 ILE H 1 48 ASP H . . 5.500 4.547 4.480 4.613 . 0 0 "[ . 1 . 2]" 1
851 1 35 ILE H 1 48 ASP HA . . 4.310 3.137 3.069 3.207 . 0 0 "[ . 1 . 2]" 1
852 1 35 ILE H 1 49 CYS H . . 4.610 3.634 3.429 3.798 . 0 0 "[ . 1 . 2]" 1
853 1 35 ILE HA 1 35 ILE MD . . 4.240 3.862 3.823 3.884 . 0 0 "[ . 1 . 2]" 1
854 1 35 ILE HA 1 35 ILE HG12 . . 3.600 2.641 2.538 2.735 . 0 0 "[ . 1 . 2]" 1
855 1 35 ILE HA 1 35 ILE MG . . 3.560 2.322 2.281 2.405 . 0 0 "[ . 1 . 2]" 1
856 1 35 ILE HA 1 36 VAL H . . 2.810 2.167 2.160 2.173 . 0 0 "[ . 1 . 2]" 1
857 1 35 ILE HA 1 36 VAL MG1 . . 4.920 3.579 3.412 3.668 . 0 0 "[ . 1 . 2]" 1
858 1 35 ILE HA 1 36 VAL MG2 . . 5.000 3.944 3.905 3.985 . 0 0 "[ . 1 . 2]" 1
859 1 35 ILE HA 1 47 GLN H . . 5.000 4.951 4.885 5.006 0.006 11 0 "[ . 1 . 2]" 1
860 1 35 ILE HB 1 36 VAL H . . 4.880 4.000 3.921 4.105 . 0 0 "[ . 1 . 2]" 1
861 1 35 ILE HB 1 46 ILE H . . 4.780 3.926 3.834 4.123 . 0 0 "[ . 1 . 2]" 1
862 1 35 ILE HB 1 46 ILE MD . . 4.590 3.992 3.828 4.175 . 0 0 "[ . 1 . 2]" 1
863 1 35 ILE HB 1 47 GLN H . . 3.960 3.124 2.942 3.199 . 0 0 "[ . 1 . 2]" 1
864 1 35 ILE HB 1 47 GLN HB2 . . 4.580 3.076 2.942 3.222 . 0 0 "[ . 1 . 2]" 1
865 1 35 ILE HB 1 47 GLN HB3 . . 3.960 2.080 1.985 2.437 . 0 0 "[ . 1 . 2]" 1
866 1 35 ILE HB 1 48 ASP HA . . 5.410 5.286 5.139 5.413 0.003 1 0 "[ . 1 . 2]" 1
867 1 35 ILE MD 1 46 ILE MD . . 5.500 4.356 4.135 4.604 . 0 0 "[ . 1 . 2]" 1
868 1 35 ILE MD 1 47 GLN HB2 . . 4.580 3.319 3.203 3.518 . 0 0 "[ . 1 . 2]" 1
869 1 35 ILE MD 1 47 GLN HB3 . . 4.190 2.419 2.146 2.675 . 0 0 "[ . 1 . 2]" 1
870 1 35 ILE MD 1 47 GLN HE21 . . 5.500 2.674 1.901 3.027 . 0 0 "[ . 1 . 2]" 1
871 1 35 ILE MD 1 47 GLN HE22 . . 5.500 2.240 1.970 3.092 . 0 0 "[ . 1 . 2]" 1
872 1 35 ILE MD 1 47 GLN HG3 . . 5.480 3.827 3.459 4.226 . 0 0 "[ . 1 . 2]" 1
873 1 35 ILE MD 1 48 ASP H . . 5.500 4.985 4.812 5.233 . 0 0 "[ . 1 . 2]" 1
874 1 35 ILE MD 1 49 CYS H . . 5.500 4.703 4.533 4.855 . 0 0 "[ . 1 . 2]" 1
875 1 35 ILE MD 1 49 CYS HA . . 4.390 4.438 4.400 4.473 0.083 10 0 "[ . 1 . 2]" 1
876 1 35 ILE MD 1 54 CYS HB2 . . 5.300 4.648 4.351 4.852 . 0 0 "[ . 1 . 2]" 1
877 1 35 ILE MD 1 62 ALA MB . . 3.550 2.631 2.348 2.846 . 0 0 "[ . 1 . 2]" 1
878 1 35 ILE MD 1 63 ARG H . . 4.670 4.288 3.992 4.466 . 0 0 "[ . 1 . 2]" 1
879 1 35 ILE MD 1 63 ARG HA . . 3.210 3.127 2.925 3.235 0.025 10 0 "[ . 1 . 2]" 1
880 1 35 ILE MD 1 63 ARG QB . . 5.200 4.554 4.405 4.669 . 0 0 "[ . 1 . 2]" 1
881 1 35 ILE MD 1 63 ARG QD . . 5.500 5.461 5.267 5.559 0.059 6 0 "[ . 1 . 2]" 1
882 1 35 ILE MD 1 64 CYS H . . 3.550 3.579 3.512 3.671 0.121 16 0 "[ . 1 . 2]" 1
883 1 35 ILE MD 1 64 CYS HA . . 4.720 4.193 4.030 4.684 . 0 0 "[ . 1 . 2]" 1
884 1 35 ILE MD 1 64 CYS QB . . 5.500 3.902 2.832 4.486 . 0 0 "[ . 1 . 2]" 1
885 1 35 ILE QG 1 47 GLN HE21 . . 5.500 3.135 2.828 3.671 . 0 0 "[ . 1 . 2]" 1
886 1 35 ILE QG 1 47 GLN HE22 . . 5.500 3.404 2.998 3.969 . 0 0 "[ . 1 . 2]" 1
887 1 35 ILE HG12 1 35 ILE MG . . 3.720 2.369 2.166 2.416 . 0 0 "[ . 1 . 2]" 1
888 1 35 ILE HG12 1 36 VAL H . . 5.500 4.546 4.380 4.645 . 0 0 "[ . 1 . 2]" 1
889 1 35 ILE HG12 1 49 CYS H . . 5.500 5.155 4.791 6.033 0.533 17 1 "[ . 1 . + 2]" 1
890 1 35 ILE HG12 1 54 CYS HB2 . . 5.500 4.353 4.147 4.737 . 0 0 "[ . 1 . 2]" 1
891 1 35 ILE HG12 1 63 ARG HA . . 5.450 5.101 4.664 5.345 . 0 0 "[ . 1 . 2]" 1
892 1 35 ILE HG13 1 36 VAL H . . 5.190 5.125 4.816 5.200 0.010 14 0 "[ . 1 . 2]" 1
893 1 35 ILE HG13 1 47 GLN HE21 . . 5.060 3.190 2.861 3.768 . 0 0 "[ . 1 . 2]" 1
894 1 35 ILE HG13 1 49 CYS QB . . 5.500 3.953 3.837 4.077 . 0 0 "[ . 1 . 2]" 1
895 1 35 ILE MG 1 36 VAL H . . 3.380 2.472 2.177 2.561 . 0 0 "[ . 1 . 2]" 1
896 1 35 ILE MG 1 37 GLU HA . . 5.500 4.554 4.410 4.625 . 0 0 "[ . 1 . 2]" 1
897 1 35 ILE MG 1 46 ILE MD . . 3.680 3.029 2.583 3.284 . 0 0 "[ . 1 . 2]" 1
898 1 35 ILE MG 1 47 GLN HB3 . . 4.680 3.567 3.462 3.837 . 0 0 "[ . 1 . 2]" 1
899 1 35 ILE MG 1 62 ALA MB . . 3.710 2.039 1.883 2.290 . 0 0 "[ . 1 . 2]" 1
900 1 36 VAL H 1 36 VAL MG1 . . 3.890 2.762 2.593 2.825 . 0 0 "[ . 1 . 2]" 1
901 1 36 VAL H 1 36 VAL MG2 . . 3.200 2.166 2.122 2.201 . 0 0 "[ . 1 . 2]" 1
902 1 36 VAL H 1 37 GLU H . . 4.960 4.456 4.450 4.461 . 0 0 "[ . 1 . 2]" 1
903 1 36 VAL H 1 46 ILE MD . . 5.500 4.959 4.758 5.070 . 0 0 "[ . 1 . 2]" 1
904 1 36 VAL H 1 47 GLN H . . 5.500 5.253 5.218 5.294 . 0 0 "[ . 1 . 2]" 1
905 1 36 VAL HA 1 36 VAL HB . . 2.990 2.397 2.384 2.411 . 0 0 "[ . 1 . 2]" 1
906 1 36 VAL HA 1 36 VAL MG1 . . 3.250 2.389 2.336 2.465 . 0 0 "[ . 1 . 2]" 1
907 1 36 VAL HA 1 37 GLU H . . 2.790 2.229 2.225 2.236 . 0 0 "[ . 1 . 2]" 1
908 1 36 VAL HA 1 37 GLU HB3 . . 5.350 4.451 4.398 4.582 . 0 0 "[ . 1 . 2]" 1
909 1 36 VAL HA 1 43 TRP HB3 . . 5.120 5.148 5.123 5.179 0.059 11 0 "[ . 1 . 2]" 1
910 1 36 VAL HA 1 43 TRP HE3 . . 4.930 4.551 4.477 4.618 . 0 0 "[ . 1 . 2]" 1
911 1 36 VAL HA 1 44 THR H . . 4.360 4.377 4.357 4.399 0.039 18 0 "[ . 1 . 2]" 1
912 1 36 VAL HA 1 44 THR HB . . 5.330 5.341 5.193 5.385 0.055 9 0 "[ . 1 . 2]" 1
913 1 36 VAL HA 1 44 THR MG . . 5.500 4.911 4.812 5.123 . 0 0 "[ . 1 . 2]" 1
914 1 36 VAL HA 1 45 GLU H . . 4.970 4.199 4.182 4.265 . 0 0 "[ . 1 . 2]" 1
915 1 36 VAL HA 1 45 GLU HA . . 2.920 1.982 1.966 2.030 . 0 0 "[ . 1 . 2]" 1
916 1 36 VAL HA 1 45 GLU HB2 . . 5.290 4.458 4.414 4.524 . 0 0 "[ . 1 . 2]" 1
917 1 36 VAL HA 1 45 GLU HG3 . . 5.150 3.830 3.692 4.122 . 0 0 "[ . 1 . 2]" 1
918 1 36 VAL HA 1 46 ILE H . . 2.560 2.446 2.402 2.520 . 0 0 "[ . 1 . 2]" 1
919 1 36 VAL HA 1 46 ILE HG12 . . 5.140 2.866 2.710 2.957 . 0 0 "[ . 1 . 2]" 1
920 1 36 VAL HA 1 46 ILE HG13 . . 4.250 4.382 4.246 4.556 0.306 1 0 "[ . 1 . 2]" 1
921 1 36 VAL HA 1 46 ILE MG . . 4.800 3.294 3.077 3.575 . 0 0 "[ . 1 . 2]" 1
922 1 36 VAL HA 1 47 GLN H . . 4.550 4.005 3.941 4.064 . 0 0 "[ . 1 . 2]" 1
923 1 36 VAL HB 1 37 GLU H . . 3.000 2.887 2.859 2.900 . 0 0 "[ . 1 . 2]" 1
924 1 36 VAL HB 1 43 TRP HA . . 4.240 3.870 3.830 3.916 . 0 0 "[ . 1 . 2]" 1
925 1 36 VAL HB 1 43 TRP HB2 . . 4.490 4.431 4.403 4.453 . 0 0 "[ . 1 . 2]" 1
926 1 36 VAL HB 1 43 TRP HB3 . . 3.470 2.842 2.811 2.869 . 0 0 "[ . 1 . 2]" 1
927 1 36 VAL HB 1 43 TRP HE3 . . 3.460 3.304 3.209 3.385 . 0 0 "[ . 1 . 2]" 1
928 1 36 VAL HB 1 44 THR H . . 3.800 3.135 3.101 3.171 . 0 0 "[ . 1 . 2]" 1
929 1 36 VAL HB 1 44 THR HA . . 4.400 3.638 3.594 3.684 . 0 0 "[ . 1 . 2]" 1
930 1 36 VAL HB 1 44 THR HB . . 4.930 4.969 4.925 5.008 0.078 19 0 "[ . 1 . 2]" 1
931 1 36 VAL HB 1 45 GLU HA . . 4.790 3.160 3.110 3.208 . 0 0 "[ . 1 . 2]" 1
932 1 36 VAL MG1 1 37 GLU H . . 4.230 3.972 3.937 4.001 . 0 0 "[ . 1 . 2]" 1
933 1 36 VAL MG1 1 43 TRP HB2 . . 4.990 4.776 4.715 4.817 . 0 0 "[ . 1 . 2]" 1
934 1 36 VAL MG1 1 43 TRP HB3 . . 4.130 3.683 3.613 3.737 . 0 0 "[ . 1 . 2]" 1
935 1 36 VAL MG1 1 43 TRP HE3 . . 5.000 4.612 4.522 4.670 . 0 0 "[ . 1 . 2]" 1
936 1 36 VAL MG1 1 44 THR H . . 4.960 4.466 4.399 4.530 . 0 0 "[ . 1 . 2]" 1
937 1 36 VAL MG1 1 44 THR HA . . 4.930 3.737 3.648 3.863 . 0 0 "[ . 1 . 2]" 1
938 1 36 VAL MG1 1 45 GLU H . . 4.360 3.068 2.965 3.140 . 0 0 "[ . 1 . 2]" 1
939 1 36 VAL MG1 1 45 GLU HA . . 3.400 2.075 1.954 2.181 . 0 0 "[ . 1 . 2]" 1
940 1 36 VAL MG1 1 45 GLU HB2 . . 4.220 2.750 2.539 2.823 . 0 0 "[ . 1 . 2]" 1
941 1 36 VAL MG1 1 45 GLU HB3 . . 4.440 3.941 3.809 4.008 . 0 0 "[ . 1 . 2]" 1
942 1 36 VAL MG1 1 45 GLU HG2 . . 4.930 3.793 3.424 3.996 . 0 0 "[ . 1 . 2]" 1
943 1 36 VAL MG1 1 45 GLU HG3 . . 4.740 2.442 2.217 2.733 . 0 0 "[ . 1 . 2]" 1
944 1 36 VAL MG1 1 46 ILE H . . 3.780 3.573 3.447 3.681 . 0 0 "[ . 1 . 2]" 1
945 1 36 VAL MG2 1 37 GLU HA . . 4.990 3.797 3.759 3.838 . 0 0 "[ . 1 . 2]" 1
946 1 36 VAL MG2 1 38 CYS H . . 5.500 4.982 4.897 5.063 . 0 0 "[ . 1 . 2]" 1
947 1 36 VAL MG2 1 43 TRP HA . . 4.920 3.613 3.504 3.697 . 0 0 "[ . 1 . 2]" 1
948 1 36 VAL MG2 1 43 TRP HB2 . . 4.770 3.550 3.491 3.626 . 0 0 "[ . 1 . 2]" 1
949 1 36 VAL MG2 1 43 TRP HB3 . . 3.600 2.038 1.967 2.127 . 0 0 "[ . 1 . 2]" 1
950 1 36 VAL MG2 1 43 TRP HE1 . . 5.500 5.362 5.259 5.436 . 0 0 "[ . 1 . 2]" 1
951 1 36 VAL MG2 1 43 TRP HE3 . . 3.580 2.271 2.138 2.405 . 0 0 "[ . 1 . 2]" 1
952 1 36 VAL MG2 1 44 THR H . . 5.270 3.972 3.893 4.046 . 0 0 "[ . 1 . 2]" 1
953 1 37 GLU H 1 37 GLU HB3 . . 3.640 2.579 2.546 2.659 . 0 0 "[ . 1 . 2]" 1
954 1 37 GLU H 1 37 GLU HG3 . . 5.500 4.698 4.664 4.724 . 0 0 "[ . 1 . 2]" 1
955 1 37 GLU H 1 38 CYS H . . 4.880 4.471 4.467 4.475 . 0 0 "[ . 1 . 2]" 1
956 1 37 GLU H 1 43 TRP HA . . 4.550 4.348 4.322 4.378 . 0 0 "[ . 1 . 2]" 1
957 1 37 GLU H 1 43 TRP HB3 . . 5.190 4.874 4.839 4.930 . 0 0 "[ . 1 . 2]" 1
958 1 37 GLU H 1 43 TRP HE3 . . 4.090 3.471 3.417 3.515 . 0 0 "[ . 1 . 2]" 1
959 1 37 GLU H 1 44 THR H . . 3.180 2.984 2.953 3.020 . 0 0 "[ . 1 . 2]" 1
960 1 37 GLU H 1 44 THR HB . . 4.180 4.077 3.989 4.130 . 0 0 "[ . 1 . 2]" 1
961 1 37 GLU H 1 44 THR MG . . 4.940 4.583 4.474 4.811 . 0 0 "[ . 1 . 2]" 1
962 1 37 GLU H 1 45 GLU HA . . 4.470 3.665 3.628 3.715 . 0 0 "[ . 1 . 2]" 1
963 1 37 GLU H 1 46 ILE MD . . 4.590 3.671 3.549 3.780 . 0 0 "[ . 1 . 2]" 1
964 1 37 GLU H 1 46 ILE MG . . 3.480 2.393 2.218 2.717 . 0 0 "[ . 1 . 2]" 1
965 1 37 GLU HA 1 37 GLU HG2 . . 3.560 3.227 3.169 3.324 . 0 0 "[ . 1 . 2]" 1
966 1 37 GLU HA 1 37 GLU HG3 . . 3.790 2.627 2.498 2.695 . 0 0 "[ . 1 . 2]" 1
967 1 37 GLU HA 1 38 CYS H . . 3.020 2.273 2.262 2.292 . 0 0 "[ . 1 . 2]" 1
968 1 37 GLU HA 1 38 CYS HB2 . . 5.160 4.650 4.635 4.665 . 0 0 "[ . 1 . 2]" 1
969 1 37 GLU HA 1 38 CYS HB3 . . 5.030 4.649 4.623 4.689 . 0 0 "[ . 1 . 2]" 1
970 1 37 GLU HA 1 43 TRP HE3 . . 3.860 2.759 2.699 2.841 . 0 0 "[ . 1 . 2]" 1
971 1 37 GLU HA 1 44 THR H . . 5.500 4.606 4.560 4.695 . 0 0 "[ . 1 . 2]" 1
972 1 37 GLU HA 1 46 ILE MD . . 4.560 3.800 3.742 3.947 . 0 0 "[ . 1 . 2]" 1
973 1 37 GLU HA 1 46 ILE MG . . 5.310 4.184 3.911 4.392 . 0 0 "[ . 1 . 2]" 1
974 1 37 GLU HB2 1 38 CYS H . . 4.320 3.899 3.855 4.001 . 0 0 "[ . 1 . 2]" 1
975 1 37 GLU HB2 1 39 LYS QG . . 5.210 4.905 4.326 5.271 0.061 18 0 "[ . 1 . 2]" 1
976 1 37 GLU HB2 1 46 ILE MD . . 3.280 1.912 1.885 2.057 . 0 0 "[ . 1 . 2]" 1
977 1 37 GLU HB3 1 38 CYS H . . 4.830 3.928 3.844 3.978 . 0 0 "[ . 1 . 2]" 1
978 1 37 GLU HB3 1 39 LYS QE . . 3.910 2.879 2.723 3.113 . 0 0 "[ . 1 . 2]" 1
979 1 37 GLU HB3 1 44 THR H . . 5.200 4.536 4.462 4.611 . 0 0 "[ . 1 . 2]" 1
980 1 37 GLU HB3 1 46 ILE MD . . 4.640 2.497 2.284 2.832 . 0 0 "[ . 1 . 2]" 1
981 1 37 GLU HB3 1 46 ILE HG12 . . 5.370 3.464 3.173 3.898 . 0 0 "[ . 1 . 2]" 1
982 1 37 GLU HB3 1 46 ILE HG13 . . 5.370 4.759 4.538 5.125 . 0 0 "[ . 1 . 2]" 1
983 1 37 GLU HB3 1 46 ILE MG . . 4.160 1.964 1.914 2.098 . 0 0 "[ . 1 . 2]" 1
984 1 37 GLU HG2 1 38 CYS H . . 4.020 2.556 2.434 2.717 . 0 0 "[ . 1 . 2]" 1
985 1 37 GLU HG2 1 39 LYS QG . . 5.490 2.953 2.555 3.358 . 0 0 "[ . 1 . 2]" 1
986 1 37 GLU HG2 1 43 TRP HE3 . . 5.500 5.034 4.938 5.134 . 0 0 "[ . 1 . 2]" 1
987 1 37 GLU HG2 1 46 ILE MD . . 5.500 4.057 3.917 4.288 . 0 0 "[ . 1 . 2]" 1
988 1 37 GLU HG3 1 38 CYS H . . 3.830 2.448 2.312 2.543 . 0 0 "[ . 1 . 2]" 1
989 1 37 GLU HG3 1 38 CYS HB2 . . 5.500 4.962 4.835 5.115 . 0 0 "[ . 1 . 2]" 1
990 1 37 GLU HG3 1 39 LYS QG . . 4.450 4.552 4.080 4.980 0.530 20 2 "[- . 1 . +]" 1
991 1 37 GLU HG3 1 46 ILE MD . . 5.340 3.759 3.697 3.929 . 0 0 "[ . 1 . 2]" 1
992 1 37 GLU HG3 1 46 ILE MG . . 4.760 4.482 4.308 4.648 . 0 0 "[ . 1 . 2]" 1
993 1 38 CYS H 1 38 CYS HB2 . . 3.270 2.695 2.671 2.717 . 0 0 "[ . 1 . 2]" 1
994 1 38 CYS H 1 38 CYS HB3 . . 3.240 2.385 2.371 2.404 . 0 0 "[ . 1 . 2]" 1
995 1 38 CYS H 1 39 LYS H . . 4.810 4.283 4.275 4.289 . 0 0 "[ . 1 . 2]" 1
996 1 38 CYS H 1 39 LYS QE . . 5.500 5.515 5.493 5.550 0.050 7 0 "[ . 1 . 2]" 1
997 1 38 CYS H 1 39 LYS QG . . 5.500 4.733 4.215 5.039 . 0 0 "[ . 1 . 2]" 1
998 1 38 CYS H 1 43 TRP HA . . 5.500 4.420 4.357 4.517 . 0 0 "[ . 1 . 2]" 1
999 1 38 CYS H 1 43 TRP HE3 . . 4.290 3.256 3.202 3.346 . 0 0 "[ . 1 . 2]" 1
1000 1 38 CYS H 1 44 THR H . . 5.500 4.888 4.823 4.997 . 0 0 "[ . 1 . 2]" 1
1001 1 38 CYS H 1 46 ILE MG . . 5.500 5.256 5.104 5.453 . 0 0 "[ . 1 . 2]" 1
1002 1 38 CYS HA 1 39 LYS H . . 2.680 2.184 2.181 2.188 . 0 0 "[ . 1 . 2]" 1
1003 1 38 CYS HA 1 42 LYS H . . 4.420 4.367 4.316 4.438 0.018 7 0 "[ . 1 . 2]" 1
1004 1 38 CYS HA 1 43 TRP HA . . 3.200 2.525 2.457 2.617 . 0 0 "[ . 1 . 2]" 1
1005 1 38 CYS HA 1 43 TRP HE3 . . 4.210 3.299 3.245 3.368 . 0 0 "[ . 1 . 2]" 1
1006 1 38 CYS HA 1 44 THR H . . 3.850 3.667 3.602 3.766 . 0 0 "[ . 1 . 2]" 1
1007 1 38 CYS HB2 1 39 LYS H . . 4.350 4.428 4.420 4.437 0.087 7 0 "[ . 1 . 2]" 1
1008 1 38 CYS HB2 1 43 TRP HA . . 4.730 4.402 4.313 4.501 . 0 0 "[ . 1 . 2]" 1
1009 1 38 CYS HB2 1 43 TRP HE3 . . 5.120 4.074 4.010 4.141 . 0 0 "[ . 1 . 2]" 1
1010 1 38 CYS HB3 1 39 LYS H . . 5.060 4.492 4.484 4.501 . 0 0 "[ . 1 . 2]" 1
1011 1 38 CYS HB3 1 43 TRP HA . . 5.500 5.408 5.328 5.508 0.008 2 0 "[ . 1 . 2]" 1
1012 1 38 CYS HB3 1 43 TRP HZ2 . . 5.500 5.256 5.100 5.364 . 0 0 "[ . 1 . 2]" 1
1013 1 39 LYS H 1 39 LYS QB . . 3.690 2.497 2.435 2.623 . 0 0 "[ . 1 . 2]" 1
1014 1 39 LYS H 1 39 LYS QG . . 4.250 3.492 2.976 3.728 . 0 0 "[ . 1 . 2]" 1
1015 1 39 LYS H 1 40 GLY H . . 5.500 4.404 4.390 4.419 . 0 0 "[ . 1 . 2]" 1
1016 1 39 LYS H 1 42 LYS H . . 3.780 3.242 3.211 3.278 . 0 0 "[ . 1 . 2]" 1
1017 1 39 LYS H 1 42 LYS QG . . 4.690 3.705 3.617 3.834 . 0 0 "[ . 1 . 2]" 1
1018 1 39 LYS H 1 43 TRP HA . . 3.870 3.116 3.076 3.167 . 0 0 "[ . 1 . 2]" 1
1019 1 39 LYS H 1 43 TRP HE3 . . 5.500 4.700 4.665 4.769 . 0 0 "[ . 1 . 2]" 1
1020 1 39 LYS H 1 44 THR H . . 3.970 3.189 3.121 3.287 . 0 0 "[ . 1 . 2]" 1
1021 1 39 LYS H 1 44 THR HB . . 4.630 4.058 3.915 4.308 . 0 0 "[ . 1 . 2]" 1
1022 1 39 LYS HA 1 39 LYS QE . . 4.590 4.243 4.052 4.410 . 0 0 "[ . 1 . 2]" 1
1023 1 39 LYS HA 1 39 LYS QG . . 3.420 2.257 2.160 2.373 . 0 0 "[ . 1 . 2]" 1
1024 1 39 LYS HA 1 40 GLY H . . 2.800 2.204 2.193 2.212 . 0 0 "[ . 1 . 2]" 1
1025 1 39 LYS HA 1 40 GLY QA . . 3.950 3.959 3.952 3.964 0.014 20 0 "[ . 1 . 2]" 1
1026 1 39 LYS HA 1 42 LYS H . . 4.710 4.371 4.342 4.411 . 0 0 "[ . 1 . 2]" 1
1027 1 39 LYS QB 1 39 LYS QE . . 4.090 2.511 1.926 3.506 . 0 0 "[ . 1 . 2]" 1
1028 1 39 LYS QB 1 40 GLY H . . 4.180 3.066 2.960 3.159 . 0 0 "[ . 1 . 2]" 1
1029 1 39 LYS QB 1 40 GLY HA2 . . 5.500 4.600 4.541 4.647 . 0 0 "[ . 1 . 2]" 1
1030 1 39 LYS QB 1 44 THR H . . 5.500 3.583 3.441 3.777 . 0 0 "[ . 1 . 2]" 1
1031 1 39 LYS QB 1 44 THR HB . . 3.540 2.588 2.441 2.780 . 0 0 "[ . 1 . 2]" 1
1032 1 39 LYS QB 1 44 THR MG . . 5.500 3.768 3.651 3.969 . 0 0 "[ . 1 . 2]" 1
1033 1 39 LYS HD2 1 44 THR HB . . 5.230 4.000 2.868 4.606 . 0 0 "[ . 1 . 2]" 1
1034 1 39 LYS HD2 1 46 ILE MG . . 4.380 3.572 2.582 4.369 . 0 0 "[ . 1 . 2]" 1
1035 1 39 LYS HD3 1 44 THR HB . . 4.850 4.743 3.451 5.161 0.311 9 0 "[ . 1 . 2]" 1
1036 1 39 LYS QE 1 40 GLY H . . 5.500 5.522 5.446 5.662 0.162 18 0 "[ . 1 . 2]" 1
1037 1 39 LYS QE 1 44 THR HB . . 5.390 3.060 2.023 4.917 . 0 0 "[ . 1 . 2]" 1
1038 1 39 LYS QE 1 44 THR MG . . 5.180 3.640 2.678 5.176 . 0 0 "[ . 1 . 2]" 1
1039 1 39 LYS QE 1 46 ILE HA . . 5.140 4.716 4.169 5.162 0.022 17 0 "[ . 1 . 2]" 1
1040 1 39 LYS QE 1 46 ILE MD . . 5.500 3.734 3.229 4.290 . 0 0 "[ . 1 . 2]" 1
1041 1 39 LYS QE 1 46 ILE MG . . 4.310 2.090 1.918 2.337 . 0 0 "[ . 1 . 2]" 1
1042 1 39 LYS QG 1 40 GLY H . . 4.740 3.569 3.183 4.172 . 0 0 "[ . 1 . 2]" 1
1043 1 39 LYS QG 1 44 THR H . . 5.490 4.694 3.575 5.222 . 0 0 "[ . 1 . 2]" 1
1044 1 39 LYS QG 1 44 THR HB . . 4.320 4.009 3.001 4.375 0.055 20 0 "[ . 1 . 2]" 1
1045 1 40 GLY H 1 41 GLY H . . 3.200 2.735 2.715 2.742 . 0 0 "[ . 1 . 2]" 1
1046 1 40 GLY H 1 41 GLY HA2 . . 5.010 5.034 5.013 5.042 0.032 13 0 "[ . 1 . 2]" 1
1047 1 40 GLY H 1 42 LYS H . . 4.930 4.213 4.200 4.224 . 0 0 "[ . 1 . 2]" 1
1048 1 41 GLY H 1 41 GLY HA3 . . 2.890 2.903 2.897 2.906 0.016 13 0 "[ . 1 . 2]" 1
1049 1 41 GLY H 1 42 LYS H . . 3.070 2.463 2.450 2.489 . 0 0 "[ . 1 . 2]" 1
1050 1 41 GLY H 1 42 LYS QB . . 5.160 5.044 5.015 5.079 . 0 0 "[ . 1 . 2]" 1
1051 1 41 GLY HA3 1 42 LYS HA . . 4.560 4.577 4.575 4.580 0.020 14 0 "[ . 1 . 2]" 1
1052 1 41 GLY HA3 1 42 LYS QB . . 5.430 4.323 4.311 4.339 . 0 0 "[ . 1 . 2]" 1
1053 1 42 LYS H 1 42 LYS QB . . 3.440 2.998 2.976 3.027 . 0 0 "[ . 1 . 2]" 1
1054 1 42 LYS H 1 42 LYS HD2 . . 5.500 4.839 4.751 4.903 . 0 0 "[ . 1 . 2]" 1
1055 1 42 LYS H 1 42 LYS QE . . 5.500 5.121 5.078 5.216 . 0 0 "[ . 1 . 2]" 1
1056 1 42 LYS H 1 42 LYS QG . . 3.820 2.388 2.344 2.438 . 0 0 "[ . 1 . 2]" 1
1057 1 42 LYS H 1 43 TRP H . . 4.470 4.394 4.374 4.408 . 0 0 "[ . 1 . 2]" 1
1058 1 42 LYS H 1 44 THR H . . 5.500 5.569 5.542 5.594 0.094 1 0 "[ . 1 . 2]" 1
1059 1 42 LYS HA 1 42 LYS HD2 . . 5.500 5.257 5.218 5.315 . 0 0 "[ . 1 . 2]" 1
1060 1 42 LYS HA 1 42 LYS HD3 . . 5.500 4.081 4.013 4.182 . 0 0 "[ . 1 . 2]" 1
1061 1 42 LYS HA 1 42 LYS QG . . 3.640 3.374 3.368 3.385 . 0 0 "[ . 1 . 2]" 1
1062 1 42 LYS HA 1 43 TRP H . . 2.740 2.247 2.222 2.269 . 0 0 "[ . 1 . 2]" 1
1063 1 42 LYS HA 1 43 TRP HB2 . . 5.500 4.575 4.554 4.587 . 0 0 "[ . 1 . 2]" 1
1064 1 42 LYS QB 1 42 LYS HD2 . . 3.510 3.328 3.319 3.338 . 0 0 "[ . 1 . 2]" 1
1065 1 42 LYS QB 1 43 TRP H . . 3.370 2.830 2.776 2.901 . 0 0 "[ . 1 . 2]" 1
1066 1 42 LYS QB 1 43 TRP HB2 . . 5.500 4.612 4.549 4.670 . 0 0 "[ . 1 . 2]" 1
1067 1 42 LYS QB 1 44 THR H . . 5.500 5.532 5.515 5.545 0.045 12 0 "[ . 1 . 2]" 1
1068 1 42 LYS HD2 1 44 THR H . . 5.500 5.100 4.967 5.338 . 0 0 "[ . 1 . 2]" 1
1069 1 42 LYS QE 1 43 TRP HB2 . . 5.500 5.307 5.216 5.366 . 0 0 "[ . 1 . 2]" 1
1070 1 42 LYS QG 1 43 TRP H . . 4.590 4.015 3.925 4.108 . 0 0 "[ . 1 . 2]" 1
1071 1 43 TRP H 1 43 TRP HB2 . . 3.110 2.344 2.327 2.365 . 0 0 "[ . 1 . 2]" 1
1072 1 43 TRP H 1 43 TRP HB3 . . 3.860 3.572 3.570 3.575 . 0 0 "[ . 1 . 2]" 1
1073 1 43 TRP H 1 43 TRP HD1 . . 3.630 3.062 3.009 3.102 . 0 0 "[ . 1 . 2]" 1
1074 1 43 TRP H 1 43 TRP HE1 . . 5.500 5.013 4.934 5.084 . 0 0 "[ . 1 . 2]" 1
1075 1 43 TRP H 1 44 THR H . . 4.630 4.456 4.449 4.462 . 0 0 "[ . 1 . 2]" 1
1076 1 43 TRP HA 1 43 TRP HE1 . . 5.500 5.484 5.462 5.499 . 0 0 "[ . 1 . 2]" 1
1077 1 43 TRP HA 1 43 TRP HE3 . . 3.130 2.553 2.519 2.606 . 0 0 "[ . 1 . 2]" 1
1078 1 43 TRP HA 1 44 THR H . . 2.720 2.140 2.139 2.141 . 0 0 "[ . 1 . 2]" 1
1079 1 43 TRP HB2 1 43 TRP HD1 . . 3.870 2.562 2.559 2.566 . 0 0 "[ . 1 . 2]" 1
1080 1 43 TRP HB2 1 44 THR H . . 4.640 4.404 4.399 4.411 . 0 0 "[ . 1 . 2]" 1
1081 1 43 TRP HB3 1 44 THR H . . 4.200 3.537 3.531 3.547 . 0 0 "[ . 1 . 2]" 1
1082 1 43 TRP HE3 1 44 THR H . . 3.980 3.363 3.324 3.401 . 0 0 "[ . 1 . 2]" 1
1083 1 44 THR H 1 44 THR HB . . 2.980 2.689 2.653 2.808 . 0 0 "[ . 1 . 2]" 1
1084 1 44 THR H 1 44 THR MG . . 4.290 3.874 3.854 3.919 . 0 0 "[ . 1 . 2]" 1
1085 1 44 THR H 1 45 GLU H . . 4.830 4.412 4.394 4.430 . 0 0 "[ . 1 . 2]" 1
1086 1 44 THR H 1 46 ILE MG . . 5.500 4.218 4.118 4.388 . 0 0 "[ . 1 . 2]" 1
1087 1 44 THR HA 1 44 THR MG . . 3.290 2.322 2.183 2.406 . 0 0 "[ . 1 . 2]" 1
1088 1 44 THR HA 1 45 GLU H . . 2.640 2.199 2.183 2.205 . 0 0 "[ . 1 . 2]" 1
1089 1 44 THR HA 1 45 GLU HB2 . . 4.440 4.332 4.271 4.372 . 0 0 "[ . 1 . 2]" 1
1090 1 44 THR HB 1 45 GLU H . . 4.640 4.024 3.866 4.092 . 0 0 "[ . 1 . 2]" 1
1091 1 44 THR HB 1 46 ILE MG . . 4.680 3.548 3.412 3.641 . 0 0 "[ . 1 . 2]" 1
1092 1 44 THR MG 1 45 GLU H . . 3.550 2.256 2.073 2.456 . 0 0 "[ . 1 . 2]" 1
1093 1 45 GLU H 1 45 GLU HB2 . . 3.170 2.296 2.219 2.345 . 0 0 "[ . 1 . 2]" 1
1094 1 45 GLU H 1 45 GLU HB3 . . 3.200 2.782 2.720 2.883 . 0 0 "[ . 1 . 2]" 1
1095 1 45 GLU H 1 45 GLU HG2 . . 4.590 4.556 4.482 4.590 0.000 9 0 "[ . 1 . 2]" 1
1096 1 45 GLU H 1 45 GLU QG . . 4.370 3.911 3.854 3.940 . 0 0 "[ . 1 . 2]" 1
1097 1 45 GLU H 1 45 GLU HG3 . . 4.270 4.259 4.155 4.313 0.043 19 0 "[ . 1 . 2]" 1
1098 1 45 GLU H 1 46 ILE H . . 5.120 4.552 4.536 4.568 . 0 0 "[ . 1 . 2]" 1
1099 1 45 GLU H 1 46 ILE MG . . 5.500 4.588 4.553 4.616 . 0 0 "[ . 1 . 2]" 1
1100 1 45 GLU HA 1 45 GLU HG2 . . 3.870 2.958 2.618 3.054 . 0 0 "[ . 1 . 2]" 1
1101 1 45 GLU HA 1 45 GLU HG3 . . 3.420 2.392 2.296 2.650 . 0 0 "[ . 1 . 2]" 1
1102 1 45 GLU HA 1 46 ILE H . . 2.760 2.154 2.147 2.163 . 0 0 "[ . 1 . 2]" 1
1103 1 45 GLU HA 1 46 ILE HG12 . . 5.110 3.891 3.778 3.936 . 0 0 "[ . 1 . 2]" 1
1104 1 45 GLU HA 1 46 ILE HG13 . . 4.770 4.988 4.883 5.116 0.346 1 0 "[ . 1 . 2]" 1
1105 1 45 GLU HA 1 46 ILE MG . . 4.690 3.746 3.645 3.849 . 0 0 "[ . 1 . 2]" 1
1106 1 45 GLU HA 1 47 GLN H . . 3.910 3.547 3.508 3.613 . 0 0 "[ . 1 . 2]" 1
1107 1 45 GLU HB2 1 46 ILE H . . 4.610 4.354 4.318 4.407 . 0 0 "[ . 1 . 2]" 1
1108 1 45 GLU HB2 1 46 ILE MG . . 5.500 5.507 5.493 5.523 0.023 3 0 "[ . 1 . 2]" 1
1109 1 45 GLU HB2 1 47 GLN H . . 5.250 5.165 5.098 5.254 0.004 10 0 "[ . 1 . 2]" 1
1110 1 45 GLU HB3 1 47 GLN H . . 4.600 4.582 4.486 4.622 0.022 20 0 "[ . 1 . 2]" 1
1111 1 45 GLU QG 1 46 ILE H . . 3.980 2.808 2.624 2.885 . 0 0 "[ . 1 . 2]" 1
1112 1 45 GLU QG 1 47 GLN H . . 3.500 2.633 2.518 2.785 . 0 0 "[ . 1 . 2]" 1
1113 1 45 GLU HG2 1 46 ILE H . . 4.270 3.045 2.681 3.197 . 0 0 "[ . 1 . 2]" 1
1114 1 45 GLU HG2 1 47 GLN H . . 3.690 2.736 2.570 2.933 . 0 0 "[ . 1 . 2]" 1
1115 1 45 GLU HG3 1 46 ILE H . . 3.950 3.323 3.179 3.738 . 0 0 "[ . 1 . 2]" 1
1116 1 46 ILE H 1 46 ILE HB . . 4.030 3.786 3.766 3.804 . 0 0 "[ . 1 . 2]" 1
1117 1 46 ILE H 1 46 ILE MD . . 5.500 3.865 3.815 3.897 . 0 0 "[ . 1 . 2]" 1
1118 1 46 ILE H 1 46 ILE HG12 . . 3.580 2.235 2.163 2.294 . 0 0 "[ . 1 . 2]" 1
1119 1 46 ILE H 1 46 ILE HG13 . . 3.280 2.911 2.828 3.027 . 0 0 "[ . 1 . 2]" 1
1120 1 46 ILE H 1 47 GLN H . . 2.720 1.859 1.831 1.874 . 0 0 "[ . 1 . 2]" 1
1121 1 46 ILE H 1 47 GLN HB3 . . 5.500 4.607 4.537 4.804 . 0 0 "[ . 1 . 2]" 1
1122 1 46 ILE HA 1 46 ILE HB . . 2.740 2.448 2.427 2.479 . 0 0 "[ . 1 . 2]" 1
1123 1 46 ILE HA 1 46 ILE MD . . 4.190 4.165 4.160 4.174 . 0 0 "[ . 1 . 2]" 1
1124 1 46 ILE HA 1 46 ILE HG13 . . 4.210 3.668 3.645 3.696 . 0 0 "[ . 1 . 2]" 1
1125 1 46 ILE HA 1 46 ILE MG . . 3.030 2.293 2.243 2.342 . 0 0 "[ . 1 . 2]" 1
1126 1 46 ILE HB 1 46 ILE MD . . 3.540 2.412 2.386 2.446 . 0 0 "[ . 1 . 2]" 1
1127 1 46 ILE HB 1 47 GLN H . . 4.780 4.114 4.060 4.138 . 0 0 "[ . 1 . 2]" 1
1128 1 46 ILE MD 1 46 ILE MG . . 3.610 2.033 1.930 2.156 . 0 0 "[ . 1 . 2]" 1
1129 1 46 ILE MD 1 47 GLN H . . 4.290 4.275 4.163 4.308 0.018 4 0 "[ . 1 . 2]" 1
1130 1 46 ILE MD 1 47 GLN HB3 . . 4.840 4.550 4.452 4.686 . 0 0 "[ . 1 . 2]" 1
1131 1 46 ILE MD 1 47 GLN HG3 . . 5.500 5.182 4.946 5.413 . 0 0 "[ . 1 . 2]" 1
1132 1 46 ILE HG12 1 47 GLN H . . 3.850 3.160 2.982 3.287 . 0 0 "[ . 1 . 2]" 1
1133 1 46 ILE HG12 1 47 GLN HA . . 5.500 5.418 5.305 5.507 0.007 15 0 "[ . 1 . 2]" 1
1134 1 46 ILE HG12 1 47 GLN HB3 . . 5.350 4.652 4.467 4.808 . 0 0 "[ . 1 . 2]" 1
1135 1 46 ILE HG13 1 46 ILE MG . . 3.440 3.190 3.181 3.200 . 0 0 "[ . 1 . 2]" 1
1136 1 46 ILE HG13 1 47 GLN H . . 4.050 2.750 2.642 2.810 . 0 0 "[ . 1 . 2]" 1
1137 1 46 ILE HG13 1 47 GLN HA . . 5.500 4.118 4.033 4.236 . 0 0 "[ . 1 . 2]" 1
1138 1 46 ILE MG 1 47 GLN H . . 4.790 4.077 4.029 4.132 . 0 0 "[ . 1 . 2]" 1
1139 1 47 GLN H 1 47 GLN HB2 . . 3.430 3.100 2.983 3.149 . 0 0 "[ . 1 . 2]" 1
1140 1 47 GLN H 1 47 GLN HB3 . . 3.750 3.071 3.014 3.210 . 0 0 "[ . 1 . 2]" 1
1141 1 47 GLN H 1 48 ASP H . . 4.360 4.368 4.356 4.385 0.025 10 0 "[ . 1 . 2]" 1
1142 1 47 GLN HA 1 47 GLN HB3 . . 2.970 2.998 2.969 3.008 0.038 17 0 "[ . 1 . 2]" 1
1143 1 47 GLN HA 1 47 GLN HG2 . . 3.320 2.386 2.200 2.475 . 0 0 "[ . 1 . 2]" 1
1144 1 47 GLN HA 1 47 GLN HG3 . . 4.090 3.033 2.850 3.540 . 0 0 "[ . 1 . 2]" 1
1145 1 47 GLN HA 1 48 ASP H . . 2.580 2.296 2.288 2.308 . 0 0 "[ . 1 . 2]" 1
1146 1 47 GLN HA 1 48 ASP HB2 . . 4.930 4.323 4.130 4.606 . 0 0 "[ . 1 . 2]" 1
1147 1 47 GLN HA 1 48 ASP HB3 . . 5.230 4.659 4.350 4.906 . 0 0 "[ . 1 . 2]" 1
1148 1 47 GLN HB2 1 48 ASP H . . 4.470 4.094 4.081 4.132 . 0 0 "[ . 1 . 2]" 1
1149 1 47 GLN HB3 1 47 GLN HE22 . . 5.500 3.604 3.496 3.686 . 0 0 "[ . 1 . 2]" 1
1150 1 47 GLN HB3 1 48 ASP H . . 5.000 3.547 3.376 3.619 . 0 0 "[ . 1 . 2]" 1
1151 1 47 GLN HB3 1 48 ASP HA . . 5.500 4.483 4.377 4.537 . 0 0 "[ . 1 . 2]" 1
1152 1 47 GLN HE21 1 48 ASP H . . 5.410 3.248 2.820 4.264 . 0 0 "[ . 1 . 2]" 1
1153 1 47 GLN HE21 1 48 ASP HA . . 4.840 4.133 3.619 5.409 0.569 10 2 "[ . + . -]" 1
1154 1 47 GLN HE21 1 49 CYS HA . . 5.500 3.252 2.737 4.309 . 0 0 "[ . 1 . 2]" 1
1155 1 47 GLN HE21 1 49 CYS QB . . 5.060 4.419 4.064 5.409 0.349 20 0 "[ . 1 . 2]" 1
1156 1 47 GLN HE22 1 48 ASP H . . 5.500 4.501 3.641 4.832 . 0 0 "[ . 1 . 2]" 1
1157 1 47 GLN HE22 1 64 CYS H . . 5.090 4.517 4.071 5.367 0.277 10 0 "[ . 1 . 2]" 1
1158 1 47 GLN HE22 1 64 CYS QB . . 4.880 3.713 2.956 4.323 . 0 0 "[ . 1 . 2]" 1
1159 1 47 GLN HG2 1 48 ASP H . . 3.940 2.130 1.925 2.990 . 0 0 "[ . 1 . 2]" 1
1160 1 47 GLN HG3 1 48 ASP H . . 3.920 3.640 3.483 4.044 0.124 11 0 "[ . 1 . 2]" 1
1161 1 48 ASP H 1 48 ASP HB2 . . 3.320 2.989 2.788 3.260 . 0 0 "[ . 1 . 2]" 1
1162 1 48 ASP H 1 48 ASP HB3 . . 3.150 2.699 2.503 2.888 . 0 0 "[ . 1 . 2]" 1
1163 1 48 ASP H 1 49 CYS H . . 4.690 4.234 4.072 4.343 . 0 0 "[ . 1 . 2]" 1
1164 1 48 ASP H 1 49 CYS HA . . 5.310 4.820 4.767 4.887 . 0 0 "[ . 1 . 2]" 1
1165 1 48 ASP HA 1 49 CYS H . . 2.740 2.142 2.139 2.167 . 0 0 "[ . 1 . 2]" 1
1166 1 48 ASP HA 1 49 CYS HA . . 4.600 4.396 4.374 4.440 . 0 0 "[ . 1 . 2]" 1
1167 1 48 ASP HA 1 49 CYS QB . . 5.500 4.145 4.091 4.209 . 0 0 "[ . 1 . 2]" 1
1168 1 48 ASP HA 1 50 GLY H . . 4.200 3.565 3.522 3.632 . 0 0 "[ . 1 . 2]" 1
1169 1 48 ASP HB2 1 49 CYS H . . 4.590 4.379 4.161 4.538 . 0 0 "[ . 1 . 2]" 1
1170 1 48 ASP HB2 1 50 GLY H . . 5.100 4.781 4.557 4.987 . 0 0 "[ . 1 . 2]" 1
1171 1 48 ASP HB3 1 49 CYS H . . 4.700 4.266 4.124 4.454 . 0 0 "[ . 1 . 2]" 1
1172 1 48 ASP HB3 1 50 GLY H . . 4.810 4.282 4.024 4.607 . 0 0 "[ . 1 . 2]" 1
1173 1 49 CYS H 1 49 CYS QB . . 3.440 2.152 2.094 2.227 . 0 0 "[ . 1 . 2]" 1
1174 1 49 CYS H 1 50 GLY H . . 3.080 2.420 2.294 2.663 . 0 0 "[ . 1 . 2]" 1
1175 1 49 CYS H 1 50 GLY HA2 . . 5.080 4.728 4.604 4.954 . 0 0 "[ . 1 . 2]" 1
1176 1 49 CYS H 1 50 GLY HA3 . . 5.500 5.077 4.976 5.256 . 0 0 "[ . 1 . 2]" 1
1177 1 49 CYS H 1 51 GLY H . . 4.900 4.921 4.804 4.955 0.055 1 0 "[ . 1 . 2]" 1
1178 1 49 CYS HA 1 64 CYS QB . . 4.280 3.889 3.275 4.054 . 0 0 "[ . 1 . 2]" 1
1179 1 49 CYS QB 1 50 GLY H . . 4.320 2.976 2.870 3.021 . 0 0 "[ . 1 . 2]" 1
1180 1 49 CYS QB 1 50 GLY HA2 . . 5.500 4.706 4.643 4.730 . 0 0 "[ . 1 . 2]" 1
1181 1 49 CYS QB 1 51 GLY H . . 4.190 2.817 2.578 2.975 . 0 0 "[ . 1 . 2]" 1
1182 1 49 CYS QB 1 53 SER H . . 4.160 3.761 3.683 3.821 . 0 0 "[ . 1 . 2]" 1
1183 1 49 CYS QB 1 54 CYS H . . 4.620 3.921 3.861 3.982 . 0 0 "[ . 1 . 2]" 1
1184 1 50 GLY H 1 50 GLY HA2 . . 2.940 2.336 2.328 2.361 . 0 0 "[ . 1 . 2]" 1
1185 1 50 GLY H 1 51 GLY H . . 3.510 3.368 3.147 3.469 . 0 0 "[ . 1 . 2]" 1
1186 1 50 GLY HA3 1 51 GLY HA3 . . 4.890 4.491 4.473 4.500 . 0 0 "[ . 1 . 2]" 1
1187 1 51 GLY H 1 52 ALA H . . 4.570 4.515 4.456 4.541 . 0 0 "[ . 1 . 2]" 1
1188 1 51 GLY H 1 53 SER H . . 4.680 4.567 4.492 4.655 . 0 0 "[ . 1 . 2]" 1
1189 1 51 GLY QA 1 52 ALA H . . 3.150 2.190 2.184 2.198 . 0 0 "[ . 1 . 2]" 1
1190 1 51 GLY HA2 1 52 ALA H . . 3.220 2.262 2.252 2.276 . 0 0 "[ . 1 . 2]" 1
1191 1 51 GLY HA2 1 52 ALA MB . . 5.130 4.015 4.008 4.036 . 0 0 "[ . 1 . 2]" 1
1192 1 51 GLY HA2 1 53 SER H . . 5.380 4.811 4.752 4.933 . 0 0 "[ . 1 . 2]" 1
1193 1 51 GLY HA3 1 52 ALA H . . 3.270 2.925 2.901 2.940 . 0 0 "[ . 1 . 2]" 1
1194 1 51 GLY HA3 1 52 ALA MB . . 5.500 4.619 4.591 4.634 . 0 0 "[ . 1 . 2]" 1
1195 1 51 GLY HA3 1 53 SER H . . 5.500 4.261 4.176 4.484 . 0 0 "[ . 1 . 2]" 1
1196 1 52 ALA H 1 52 ALA MB . . 3.090 2.253 2.187 2.262 . 0 0 "[ . 1 . 2]" 1
1197 1 52 ALA H 1 53 SER H . . 4.130 3.863 3.817 3.986 . 0 0 "[ . 1 . 2]" 1
1198 1 52 ALA H 1 53 SER HB2 . . 5.340 4.661 4.552 4.919 . 0 0 "[ . 1 . 2]" 1
1199 1 52 ALA HA 1 53 SER H . . 3.020 2.407 2.345 2.434 . 0 0 "[ . 1 . 2]" 1
1200 1 52 ALA HA 1 54 CYS H . . 4.010 3.318 3.295 3.343 . 0 0 "[ . 1 . 2]" 1
1201 1 52 ALA MB 1 53 SER H . . 4.370 3.686 3.654 3.696 . 0 0 "[ . 1 . 2]" 1
1202 1 52 ALA MB 1 53 SER HA . . 5.500 4.200 4.158 4.210 . 0 0 "[ . 1 . 2]" 1
1203 1 52 ALA MB 1 53 SER HB2 . . 5.500 4.765 4.538 4.889 . 0 0 "[ . 1 . 2]" 1
1204 1 52 ALA MB 1 54 CYS H . . 5.160 4.465 4.440 4.491 . 0 0 "[ . 1 . 2]" 1
1205 1 53 SER H 1 53 SER HB2 . . 3.450 2.871 2.670 3.402 . 0 0 "[ . 1 . 2]" 1
1206 1 53 SER H 1 53 SER HB3 . . 3.660 3.393 2.789 3.625 . 0 0 "[ . 1 . 2]" 1
1207 1 53 SER H 1 54 CYS H . . 2.910 1.796 1.714 1.825 . 0 0 "[ . 1 . 2]" 1
1208 1 53 SER H 1 54 CYS HB2 . . 4.820 3.548 3.482 3.590 . 0 0 "[ . 1 . 2]" 1
1209 1 53 SER H 1 54 CYS HB3 . . 5.000 4.340 4.284 4.395 . 0 0 "[ . 1 . 2]" 1
1210 1 53 SER HA 1 53 SER HB3 . . 2.800 2.841 2.755 3.029 0.229 12 0 "[ . 1 . 2]" 1
1211 1 53 SER HA 1 54 CYS HB2 . . 5.500 5.451 5.412 5.495 . 0 0 "[ . 1 . 2]" 1
1212 1 53 SER HB2 1 54 CYS H . . 5.500 4.066 3.850 4.474 . 0 0 "[ . 1 . 2]" 1
1213 1 53 SER HB3 1 54 CYS H . . 5.340 3.970 3.737 4.103 . 0 0 "[ . 1 . 2]" 1
1214 1 54 CYS H 1 54 CYS HB2 . . 3.010 2.389 2.325 2.430 . 0 0 "[ . 1 . 2]" 1
1215 1 54 CYS H 1 54 CYS HB3 . . 3.240 2.730 2.683 2.811 . 0 0 "[ . 1 . 2]" 1
1216 1 54 CYS HA 1 55 ARG H . . 2.580 2.143 2.142 2.145 . 0 0 "[ . 1 . 2]" 1
1217 1 54 CYS HA 1 63 ARG H . . 5.500 4.922 4.800 5.022 . 0 0 "[ . 1 . 2]" 1
1218 1 54 CYS HA 1 64 CYS HA . . 2.880 2.156 1.991 2.503 . 0 0 "[ . 1 . 2]" 1
1219 1 54 CYS HA 1 64 CYS QB . . 4.790 4.151 3.861 4.489 . 0 0 "[ . 1 . 2]" 1
1220 1 54 CYS HB2 1 55 ARG H . . 4.770 4.402 4.382 4.429 . 0 0 "[ . 1 . 2]" 1
1221 1 54 CYS HB2 1 64 CYS HA . . 4.940 3.187 2.886 4.314 . 0 0 "[ . 1 . 2]" 1
1222 1 54 CYS HB3 1 55 ARG H . . 5.500 4.079 4.014 4.112 . 0 0 "[ . 1 . 2]" 1
1223 1 55 ARG H 1 55 ARG QB . . 3.420 2.612 2.597 2.626 . 0 0 "[ . 1 . 2]" 1
1224 1 55 ARG H 1 55 ARG HD2 . . 5.190 4.887 4.775 5.135 . 0 0 "[ . 1 . 2]" 1
1225 1 55 ARG H 1 55 ARG HD3 . . 5.330 5.049 4.799 5.158 . 0 0 "[ . 1 . 2]" 1
1226 1 55 ARG H 1 55 ARG HG2 . . 4.370 4.400 4.305 4.435 0.065 16 0 "[ . 1 . 2]" 1
1227 1 55 ARG H 1 56 GLY H . . 4.700 4.341 4.310 4.365 . 0 0 "[ . 1 . 2]" 1
1228 1 55 ARG H 1 62 ALA HA . . 5.500 5.272 5.106 5.350 . 0 0 "[ . 1 . 2]" 1
1229 1 55 ARG H 1 62 ALA MB . . 5.240 5.252 5.110 5.311 0.071 9 0 "[ . 1 . 2]" 1
1230 1 55 ARG H 1 63 ARG H . . 3.610 3.688 3.639 3.795 0.185 16 0 "[ . 1 . 2]" 1
1231 1 55 ARG H 1 63 ARG QD . . 5.190 4.583 4.308 4.849 . 0 0 "[ . 1 . 2]" 1
1232 1 55 ARG H 1 63 ARG QG . . 3.990 3.384 3.197 3.994 0.004 16 0 "[ . 1 . 2]" 1
1233 1 55 ARG H 1 64 CYS HA . . 5.500 3.545 3.322 3.876 . 0 0 "[ . 1 . 2]" 1
1234 1 55 ARG HA 1 55 ARG HD2 . . 3.680 2.786 2.651 3.012 . 0 0 "[ . 1 . 2]" 1
1235 1 55 ARG HA 1 55 ARG HD3 . . 4.280 2.265 1.994 2.381 . 0 0 "[ . 1 . 2]" 1
1236 1 55 ARG HA 1 55 ARG HG2 . . 2.970 2.533 2.505 2.578 . 0 0 "[ . 1 . 2]" 1
1237 1 55 ARG HA 1 55 ARG HG3 . . 3.750 3.582 3.576 3.584 . 0 0 "[ . 1 . 2]" 1
1238 1 55 ARG HA 1 56 GLY H . . 2.710 2.205 2.188 2.220 . 0 0 "[ . 1 . 2]" 1
1239 1 55 ARG HA 1 63 ARG H . . 5.480 4.836 4.687 5.133 . 0 0 "[ . 1 . 2]" 1
1240 1 55 ARG QB 1 56 GLY H . . 3.520 3.330 3.237 3.400 . 0 0 "[ . 1 . 2]" 1
1241 1 55 ARG HD2 1 56 GLY H . . 5.500 2.196 2.034 2.481 . 0 0 "[ . 1 . 2]" 1
1242 1 55 ARG HD2 1 57 VAL HA . . 5.500 4.947 4.892 5.103 . 0 0 "[ . 1 . 2]" 1
1243 1 55 ARG HD3 1 56 GLY H . . 5.500 2.376 2.147 2.506 . 0 0 "[ . 1 . 2]" 1
1244 1 55 ARG HG2 1 56 GLY H . . 4.750 4.013 3.943 4.135 . 0 0 "[ . 1 . 2]" 1
1245 1 55 ARG HG3 1 56 GLY H . . 4.450 4.448 4.372 4.499 0.049 12 0 "[ . 1 . 2]" 1
1246 1 56 GLY H 1 57 VAL H . . 4.470 4.317 4.307 4.322 . 0 0 "[ . 1 . 2]" 1
1247 1 56 GLY H 1 57 VAL HA . . 5.130 4.845 4.827 4.851 . 0 0 "[ . 1 . 2]" 1
1248 1 56 GLY H 1 62 ALA MB . . 4.850 4.621 4.501 4.855 0.005 9 0 "[ . 1 . 2]" 1
1249 1 56 GLY H 1 63 ARG H . . 5.500 4.560 4.388 4.826 . 0 0 "[ . 1 . 2]" 1
1250 1 56 GLY H 1 63 ARG HD3 . . 5.250 4.812 4.562 5.573 0.323 9 0 "[ . 1 . 2]" 1
1251 1 56 GLY HA2 1 57 VAL H . . 3.060 2.750 2.745 2.763 . 0 0 "[ . 1 . 2]" 1
1252 1 56 GLY HA2 1 57 VAL MG1 . . 4.650 3.516 3.371 3.738 . 0 0 "[ . 1 . 2]" 1
1253 1 56 GLY HA2 1 57 VAL MG2 . . 4.070 4.013 3.742 4.111 0.041 18 0 "[ . 1 . 2]" 1
1254 1 56 GLY HA2 1 62 ALA H . . 5.500 5.240 4.999 5.502 0.002 20 0 "[ . 1 . 2]" 1
1255 1 56 GLY HA2 1 62 ALA MB . . 4.790 4.441 4.284 4.563 . 0 0 "[ . 1 . 2]" 1
1256 1 56 GLY HA2 1 63 ARG H . . 4.860 3.173 3.000 3.466 . 0 0 "[ . 1 . 2]" 1
1257 1 56 GLY HA2 1 63 ARG QD . . 5.500 2.190 2.001 2.657 . 0 0 "[ . 1 . 2]" 1
1258 1 56 GLY HA3 1 57 VAL H . . 3.020 2.391 2.381 2.396 . 0 0 "[ . 1 . 2]" 1
1259 1 56 GLY HA3 1 57 VAL MG1 . . 4.750 4.293 4.182 4.488 . 0 0 "[ . 1 . 2]" 1
1260 1 56 GLY HA3 1 57 VAL MG2 . . 5.500 4.091 3.920 4.151 . 0 0 "[ . 1 . 2]" 1
1261 1 56 GLY HA3 1 60 GLY H . . 5.220 5.353 5.298 5.380 0.160 7 0 "[ . 1 . 2]" 1
1262 1 56 GLY HA3 1 61 GLY QA . . 5.500 5.019 4.732 5.201 . 0 0 "[ . 1 . 2]" 1
1263 1 56 GLY HA3 1 62 ALA HA . . 3.150 2.283 2.168 2.571 . 0 0 "[ . 1 . 2]" 1
1264 1 56 GLY HA3 1 62 ALA MB . . 4.260 3.382 3.239 3.573 . 0 0 "[ . 1 . 2]" 1
1265 1 56 GLY HA3 1 63 ARG H . . 5.170 3.445 3.262 3.753 . 0 0 "[ . 1 . 2]" 1
1266 1 57 VAL H 1 57 VAL MG1 . . 4.060 2.850 2.704 3.078 . 0 0 "[ . 1 . 2]" 1
1267 1 57 VAL H 1 57 VAL MG2 . . 3.200 2.114 1.923 2.157 . 0 0 "[ . 1 . 2]" 1
1268 1 57 VAL H 1 58 SER H . . 4.440 4.502 4.480 4.510 0.070 19 0 "[ . 1 . 2]" 1
1269 1 57 VAL H 1 59 GLN H . . 5.240 4.348 4.285 4.486 . 0 0 "[ . 1 . 2]" 1
1270 1 57 VAL H 1 60 GLY H . . 3.920 3.684 3.621 3.726 . 0 0 "[ . 1 . 2]" 1
1271 1 57 VAL H 1 60 GLY QA . . 5.100 3.989 3.889 4.046 . 0 0 "[ . 1 . 2]" 1
1272 1 57 VAL H 1 62 ALA H . . 5.320 4.729 4.456 5.196 . 0 0 "[ . 1 . 2]" 1
1273 1 57 VAL H 1 62 ALA HA . . 4.460 3.895 3.753 4.205 . 0 0 "[ . 1 . 2]" 1
1274 1 57 VAL HA 1 57 VAL MG1 . . 3.310 2.291 2.130 2.400 . 0 0 "[ . 1 . 2]" 1
1275 1 57 VAL HA 1 58 SER H . . 3.090 2.440 2.412 2.488 . 0 0 "[ . 1 . 2]" 1
1276 1 57 VAL HA 1 58 SER HB2 . . 4.630 4.615 4.427 5.058 0.428 14 0 "[ . 1 . 2]" 1
1277 1 57 VAL HA 1 60 GLY H . . 5.420 4.715 4.662 4.780 . 0 0 "[ . 1 . 2]" 1
1278 1 57 VAL HB 1 58 SER H . . 2.630 2.297 2.186 2.358 . 0 0 "[ . 1 . 2]" 1
1279 1 57 VAL HB 1 58 SER HA . . 5.430 4.713 4.591 4.759 . 0 0 "[ . 1 . 2]" 1
1280 1 57 VAL HB 1 58 SER HB2 . . 4.670 4.647 4.293 5.046 0.376 14 0 "[ . 1 . 2]" 1
1281 1 57 VAL HB 1 58 SER HB3 . . 4.820 4.223 3.833 4.586 . 0 0 "[ . 1 . 2]" 1
1282 1 57 VAL HB 1 59 GLN H . . 3.830 2.615 2.515 2.691 . 0 0 "[ . 1 . 2]" 1
1283 1 57 VAL HB 1 59 GLN HB2 . . 5.500 3.971 3.734 4.210 . 0 0 "[ . 1 . 2]" 1
1284 1 57 VAL HB 1 60 GLY H . . 5.030 4.342 4.123 4.453 . 0 0 "[ . 1 . 2]" 1
1285 1 57 VAL MG1 1 58 SER H . . 3.840 3.596 3.385 3.673 . 0 0 "[ . 1 . 2]" 1
1286 1 57 VAL MG1 1 59 GLN H . . 5.030 4.103 4.084 4.130 . 0 0 "[ . 1 . 2]" 1
1287 1 57 VAL MG1 1 60 GLY H . . 5.490 4.974 4.873 5.083 . 0 0 "[ . 1 . 2]" 1
1288 1 57 VAL MG2 1 58 SER H . . 3.870 3.390 3.304 3.502 . 0 0 "[ . 1 . 2]" 1
1289 1 57 VAL MG2 1 59 GLN H . . 3.160 2.039 1.890 2.491 . 0 0 "[ . 1 . 2]" 1
1290 1 57 VAL MG2 1 59 GLN HA . . 4.510 3.946 3.844 4.271 . 0 0 "[ . 1 . 2]" 1
1291 1 57 VAL MG2 1 59 GLN HB2 . . 4.100 2.403 2.347 2.571 . 0 0 "[ . 1 . 2]" 1
1292 1 57 VAL MG2 1 59 GLN HB3 . . 5.110 3.792 3.665 4.003 . 0 0 "[ . 1 . 2]" 1
1293 1 57 VAL MG2 1 59 GLN HE21 . . 5.130 4.151 2.943 4.946 . 0 0 "[ . 1 . 2]" 1
1294 1 57 VAL MG2 1 59 GLN HE22 . . 5.500 4.627 3.292 5.640 0.140 18 0 "[ . 1 . 2]" 1
1295 1 57 VAL MG2 1 59 GLN QG . . 4.530 3.442 2.645 4.035 . 0 0 "[ . 1 . 2]" 1
1296 1 57 VAL MG2 1 60 GLY H . . 3.610 2.393 2.253 2.608 . 0 0 "[ . 1 . 2]" 1
1297 1 57 VAL MG2 1 60 GLY QA . . 4.750 3.450 3.354 3.610 . 0 0 "[ . 1 . 2]" 1
1298 1 57 VAL MG2 1 61 GLY H . . 5.050 4.210 3.951 4.412 . 0 0 "[ . 1 . 2]" 1
1299 1 57 VAL MG2 1 61 GLY QA . . 3.920 3.173 2.827 3.419 . 0 0 "[ . 1 . 2]" 1
1300 1 57 VAL MG2 1 63 ARG HD3 . . 5.500 4.716 4.430 5.340 . 0 0 "[ . 1 . 2]" 1
1301 1 58 SER H 1 58 SER HB2 . . 3.270 2.467 2.174 2.956 . 0 0 "[ . 1 . 2]" 1
1302 1 58 SER H 1 58 SER QB . . 3.310 2.227 2.124 2.261 . 0 0 "[ . 1 . 2]" 1
1303 1 58 SER H 1 58 SER HB3 . . 3.540 2.624 2.188 2.980 . 0 0 "[ . 1 . 2]" 1
1304 1 58 SER H 1 59 GLN H . . 3.310 2.645 2.627 2.670 . 0 0 "[ . 1 . 2]" 1
1305 1 58 SER H 1 59 GLN HB2 . . 5.500 5.042 4.829 5.244 . 0 0 "[ . 1 . 2]" 1
1306 1 58 SER H 1 59 GLN QG . . 4.640 4.219 3.856 4.600 . 0 0 "[ . 1 . 2]" 1
1307 1 58 SER H 1 60 GLY H . . 4.880 4.191 4.081 4.251 . 0 0 "[ . 1 . 2]" 1
1308 1 58 SER HB2 1 59 GLN H . . 4.390 4.111 3.846 4.292 . 0 0 "[ . 1 . 2]" 1
1309 1 58 SER HB2 1 59 GLN HE22 . . 5.500 4.788 3.916 5.879 0.379 1 0 "[ . 1 . 2]" 1
1310 1 58 SER HB3 1 59 GLN H . . 4.180 3.175 3.078 3.234 . 0 0 "[ . 1 . 2]" 1
1311 1 58 SER HB3 1 59 GLN QG . . 5.500 3.364 3.010 3.790 . 0 0 "[ . 1 . 2]" 1
1312 1 59 GLN H 1 59 GLN HB2 . . 3.290 2.607 2.446 2.749 . 0 0 "[ . 1 . 2]" 1
1313 1 59 GLN H 1 59 GLN HB3 . . 3.700 3.668 3.633 3.691 . 0 0 "[ . 1 . 2]" 1
1314 1 59 GLN H 1 59 GLN HE21 . . 4.590 3.084 2.206 4.221 . 0 0 "[ . 1 . 2]" 1
1315 1 59 GLN H 1 59 GLN HE22 . . 5.230 4.041 3.482 4.589 . 0 0 "[ . 1 . 2]" 1
1316 1 59 GLN H 1 59 GLN QG . . 3.430 2.580 2.223 2.907 . 0 0 "[ . 1 . 2]" 1
1317 1 59 GLN H 1 60 GLY H . . 3.210 2.488 2.424 2.562 . 0 0 "[ . 1 . 2]" 1
1318 1 59 GLN HA 1 59 GLN HB3 . . 2.910 2.409 2.339 2.500 . 0 0 "[ . 1 . 2]" 1
1319 1 59 GLN HA 1 59 GLN QG . . 3.530 2.791 2.376 3.249 . 0 0 "[ . 1 . 2]" 1
1320 1 59 GLN HB2 1 60 GLY H . . 5.440 3.762 3.633 3.858 . 0 0 "[ . 1 . 2]" 1
1321 1 59 GLN HB2 1 60 GLY QA . . 5.190 4.552 4.455 4.692 . 0 0 "[ . 1 . 2]" 1
1322 1 59 GLN HB3 1 59 GLN QG . . 2.800 2.186 2.129 2.247 . 0 0 "[ . 1 . 2]" 1
1323 1 59 GLN QG 1 60 GLY H . . 4.990 4.445 4.331 4.542 . 0 0 "[ . 1 . 2]" 1
1324 1 60 GLY H 1 61 GLY H . . 4.440 4.496 4.427 4.528 0.088 16 0 "[ . 1 . 2]" 1
1325 1 60 GLY QA 1 61 GLY H . . 3.040 2.119 2.113 2.127 . 0 0 "[ . 1 . 2]" 1
1326 1 60 GLY QA 1 62 ALA H . . 4.390 3.411 3.211 3.939 . 0 0 "[ . 1 . 2]" 1
1327 1 61 GLY H 1 62 ALA H . . 3.220 2.842 2.693 3.053 . 0 0 "[ . 1 . 2]" 1
1328 1 61 GLY H 1 62 ALA MB . . 5.500 4.387 4.254 4.469 . 0 0 "[ . 1 . 2]" 1
1329 1 61 GLY QA 1 62 ALA H . . 3.430 2.717 2.512 2.811 . 0 0 "[ . 1 . 2]" 1
1330 1 62 ALA H 1 62 ALA MB . . 3.040 2.038 2.025 2.095 . 0 0 "[ . 1 . 2]" 1
1331 1 62 ALA H 1 63 ARG H . . 4.610 4.546 4.474 4.599 . 0 0 "[ . 1 . 2]" 1
1332 1 62 ALA HA 1 63 ARG H . . 2.560 2.156 2.143 2.188 . 0 0 "[ . 1 . 2]" 1
1333 1 62 ALA HA 1 63 ARG HD3 . . 5.500 3.118 2.742 4.679 . 0 0 "[ . 1 . 2]" 1
1334 1 62 ALA MB 1 63 ARG H . . 3.560 3.145 3.014 3.244 . 0 0 "[ . 1 . 2]" 1
1335 1 63 ARG H 1 63 ARG HD2 . . 5.320 3.299 2.068 3.488 . 0 0 "[ . 1 . 2]" 1
1336 1 63 ARG H 1 63 ARG QD . . 4.930 2.173 1.931 2.505 . 0 0 "[ . 1 . 2]" 1
1337 1 63 ARG H 1 63 ARG HD3 . . 4.620 2.279 1.943 3.541 . 0 0 "[ . 1 . 2]" 1
1338 1 63 ARG H 1 63 ARG HG2 . . 4.730 2.562 2.392 2.840 . 0 0 "[ . 1 . 2]" 1
1339 1 63 ARG H 1 63 ARG HG3 . . 4.540 3.957 3.875 4.061 . 0 0 "[ . 1 . 2]" 1
1340 1 63 ARG H 1 64 CYS H . . 4.360 4.409 4.386 4.427 0.067 17 0 "[ . 1 . 2]" 1
1341 1 63 ARG H 1 64 CYS HA . . 5.030 4.901 4.768 4.960 . 0 0 "[ . 1 . 2]" 1
1342 1 63 ARG HA 1 63 ARG QD . . 4.410 3.710 3.628 3.848 . 0 0 "[ . 1 . 2]" 1
1343 1 63 ARG HA 1 64 CYS H . . 2.630 2.271 2.231 2.318 . 0 0 "[ . 1 . 2]" 1
1344 1 63 ARG HA 1 64 CYS HA . . 4.390 4.324 4.310 4.391 0.001 16 0 "[ . 1 . 2]" 1
1345 1 63 ARG QB 1 63 ARG HD2 . . 3.800 2.116 1.978 2.640 . 0 0 "[ . 1 . 2]" 1
1346 1 63 ARG QB 1 64 CYS H . . 3.640 2.725 2.607 2.834 . 0 0 "[ . 1 . 2]" 1
1347 1 63 ARG QB 1 64 CYS QB . . 5.150 4.332 4.212 4.565 . 0 0 "[ . 1 . 2]" 1
1348 1 63 ARG HG2 1 64 CYS H . . 5.370 4.165 3.882 4.395 . 0 0 "[ . 1 . 2]" 1
1349 1 63 ARG HG2 1 64 CYS HA . . 5.190 4.734 4.049 4.852 . 0 0 "[ . 1 . 2]" 1
1350 1 63 ARG HG3 1 64 CYS H . . 5.030 4.681 4.438 4.898 . 0 0 "[ . 1 . 2]" 1
1351 1 64 CYS H 1 64 CYS QB . . 3.080 2.285 2.121 2.391 . 0 0 "[ . 1 . 2]" 1
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