NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429772 |
2jms   |
15058 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jms
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 821
_Distance_constraint_stats_list.Viol_count 2732
_Distance_constraint_stats_list.Viol_total 4448.436
_Distance_constraint_stats_list.Viol_max 0.974
_Distance_constraint_stats_list.Viol_rms 0.0477
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0135
_Distance_constraint_stats_list.Viol_average_violations_only 0.0814
_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 THR 2.390 0.110 20 0 "[ . 1 . 2]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PRO 2.971 0.094 6 0 "[ . 1 . 2]"
1 4 GLU 4.604 0.103 1 0 "[ . 1 . 2]"
1 5 GLU 13.849 0.570 16 7 "[* .* ** .+ -*2]"
1 6 HIS 10.532 0.570 16 1 "[ . 1 .+ 2]"
1 7 PHE 6.487 0.103 2 0 "[ . 1 . 2]"
1 8 ASP 3.341 0.403 10 0 "[ . 1 . 2]"
1 9 PRO 4.021 0.103 2 0 "[ . 1 . 2]"
1 10 ASN 13.310 0.933 11 9 "[*-* .* * *+ *. * 2]"
1 11 THR 7.067 0.601 14 9 "[*-* .* * ** +. * 2]"
1 12 ASN 5.525 0.933 11 4 "[* *. 1+ -. 2]"
1 13 CYS 4.639 0.364 19 0 "[ . 1 . 2]"
1 14 ASP 1.118 0.096 10 0 "[ . 1 . 2]"
1 15 TYR 7.714 0.127 4 0 "[ . 1 . 2]"
1 16 THR 3.198 0.098 7 0 "[ . 1 . 2]"
1 17 ASN 11.286 0.592 2 3 "[ + - 1 * . 2]"
1 18 SER 5.515 0.392 2 0 "[ . 1 . 2]"
1 19 GLN 5.029 0.575 8 1 "[ . + 1 . 2]"
1 20 ASP 7.510 0.107 17 0 "[ . 1 . 2]"
1 21 ALA 5.093 0.127 4 0 "[ . 1 . 2]"
1 22 TRP 10.602 0.110 20 0 "[ . 1 . 2]"
1 23 ASP 4.575 0.123 10 0 "[ . 1 . 2]"
1 24 TYR 8.451 0.110 10 0 "[ . 1 . 2]"
1 25 CYS 4.931 0.667 2 1 "[ + . 1 . 2]"
1 26 THR 8.217 0.421 2 0 "[ . 1 . 2]"
1 27 ASN 11.442 0.974 1 9 "[+ *. *** * -* * 2]"
1 28 TYR 5.969 0.103 15 0 "[ . 1 . 2]"
1 29 ILE 2.068 0.123 10 0 "[ . 1 . 2]"
1 30 VAL 2.231 0.083 8 0 "[ . 1 . 2]"
1 31 ASN 2.957 0.104 20 0 "[ . 1 . 2]"
1 32 SER 0.215 0.082 13 0 "[ . 1 . 2]"
1 33 SER 3.384 0.521 4 1 "[ +. 1 . 2]"
1 34 CYS 13.062 0.974 1 9 "[+ *. *** * -* * 2]"
1 35 GLY 4.803 0.096 2 0 "[ . 1 . 2]"
1 36 GLU 9.100 0.100 20 0 "[ . 1 . 2]"
1 37 ILE 9.203 0.371 19 0 "[ . 1 . 2]"
1 38 CYS 2.449 0.078 8 0 "[ . 1 . 2]"
1 39 CYS 4.503 0.088 16 0 "[ . 1 . 2]"
1 40 ASN 8.783 0.115 10 0 "[ . 1 . 2]"
1 41 ASP 1.026 0.091 4 0 "[ . 1 . 2]"
1 42 CYS 2.593 0.096 5 0 "[ . 1 . 2]"
1 43 PHE 8.574 0.667 2 1 "[ + . 1 . 2]"
1 44 ASP 9.332 0.695 7 5 "[ .*+- 1 * . *]"
1 45 GLU 8.220 0.695 7 4 "[ .-+ 1 * . *]"
1 46 THR 3.152 0.197 6 0 "[ . 1 . 2]"
1 47 GLY 2.909 0.586 8 1 "[ . + 1 . 2]"
1 48 THR 8.458 0.128 20 0 "[ . 1 . 2]"
1 49 GLY 1.329 0.079 10 0 "[ . 1 . 2]"
1 50 ALA 6.409 0.128 20 0 "[ . 1 . 2]"
1 51 CYS 7.387 0.101 11 0 "[ . 1 . 2]"
1 52 ARG 17.748 0.113 10 0 "[ . 1 . 2]"
1 53 ALA 4.367 0.110 10 0 "[ . 1 . 2]"
1 54 GLN 11.659 0.110 8 0 "[ . 1 . 2]"
1 55 ALA 5.985 0.098 4 0 "[ . 1 . 2]"
1 56 PHE 10.461 0.104 11 0 "[ . 1 . 2]"
1 57 GLY 2.598 0.097 19 0 "[ . 1 . 2]"
1 58 ASN 8.123 0.589 18 1 "[ . 1 . + 2]"
1 59 SER 6.113 0.949 2 2 "[ + . 1 . - 2]"
1 60 CYS 3.275 0.949 2 2 "[ + . 1 . - 2]"
1 61 LEU 5.418 0.760 7 2 "[ - . + 1 . 2]"
1 62 ASN 3.302 0.760 7 2 "[ - . + 1 . 2]"
1 63 TRP 8.351 0.096 3 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 THR HA 1 1 THR HB . . 2.690 2.681 2.513 2.770 0.080 4 0 "[ . 1 . 2]" 1
2 1 1 THR MG 1 2 ASP QB . . 4.260 4.026 3.842 4.128 . 0 0 "[ . 1 . 2]" 1
3 1 1 THR MG 1 3 PRO HA . . 4.480 3.955 3.630 4.535 0.055 3 0 "[ . 1 . 2]" 1
4 1 1 THR MG 1 6 HIS HB2 . . 4.560 3.719 2.968 4.417 . 0 0 "[ . 1 . 2]" 1
5 1 1 THR MG 1 6 HIS HD2 . . 3.460 3.004 2.556 3.532 0.072 2 0 "[ . 1 . 2]" 1
6 1 1 THR MG 1 22 TRP HH2 . . 5.130 5.056 4.142 5.240 0.110 20 0 "[ . 1 . 2]" 1
7 1 1 THR MG 1 22 TRP HZ3 . . 4.800 4.598 3.561 4.897 0.097 4 0 "[ . 1 . 2]" 1
8 1 1 THR MG 1 50 ALA MB . . 4.320 2.392 1.889 3.033 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASP HA 1 3 PRO HD2 . . 3.030 2.504 2.313 2.656 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP HA 1 3 PRO HD3 . . 3.500 2.459 2.219 2.830 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASP HA 1 4 GLU H . . 4.470 3.922 3.748 4.165 . 0 0 "[ . 1 . 2]" 1
12 1 2 ASP QB 1 3 PRO HD2 . . 3.700 2.722 2.129 3.497 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASP QB 1 4 GLU H . . 4.410 2.539 1.945 3.042 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP QB 1 6 HIS HD2 . . 4.420 4.158 3.257 4.359 . 0 0 "[ . 1 . 2]" 1
15 1 3 PRO HA 1 6 HIS HD2 . . 4.180 4.124 3.923 4.268 0.088 10 0 "[ . 1 . 2]" 1
16 1 3 PRO HA 1 22 TRP HE3 . . 4.560 4.328 3.934 4.612 0.052 15 0 "[ . 1 . 2]" 1
17 1 3 PRO HA 1 43 PHE QD . . 3.710 3.590 3.182 3.800 0.090 14 0 "[ . 1 . 2]" 1
18 1 3 PRO HA 1 43 PHE QE . . 3.680 2.957 2.485 3.552 . 0 0 "[ . 1 . 2]" 1
19 1 3 PRO HB2 1 18 SER HA . . 4.220 3.878 3.245 4.301 0.081 16 0 "[ . 1 . 2]" 1
20 1 3 PRO HB2 1 18 SER QB . . 3.800 2.808 2.309 3.858 0.058 13 0 "[ . 1 . 2]" 1
21 1 3 PRO HB2 1 22 TRP QB . . 4.240 3.403 2.851 3.872 . 0 0 "[ . 1 . 2]" 1
22 1 3 PRO HB2 1 22 TRP HE3 . . 4.350 3.469 3.161 3.658 . 0 0 "[ . 1 . 2]" 1
23 1 3 PRO HB2 1 43 PHE QE . . 4.140 2.445 2.149 3.184 . 0 0 "[ . 1 . 2]" 1
24 1 3 PRO HB3 1 22 TRP QB . . 4.040 3.532 3.154 3.889 . 0 0 "[ . 1 . 2]" 1
25 1 3 PRO HB3 1 22 TRP HE3 . . 3.750 2.319 2.201 2.644 . 0 0 "[ . 1 . 2]" 1
26 1 3 PRO HB3 1 43 PHE QE . . 3.860 2.963 2.539 3.665 . 0 0 "[ . 1 . 2]" 1
27 1 3 PRO HB3 1 43 PHE HZ . . 4.560 3.379 3.040 3.893 . 0 0 "[ . 1 . 2]" 1
28 1 3 PRO HD3 1 4 GLU H . . 3.760 3.833 3.791 3.854 0.094 6 0 "[ . 1 . 2]" 1
29 1 3 PRO HG2 1 22 TRP QB . . 4.900 4.326 4.001 4.969 0.069 12 0 "[ . 1 . 2]" 1
30 1 3 PRO HG3 1 4 GLU H . . 4.510 4.277 4.055 4.575 0.065 14 0 "[ . 1 . 2]" 1
31 1 3 PRO HG3 1 22 TRP QB . . 4.480 3.532 3.026 4.421 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU H 1 4 GLU HB2 . . 3.180 2.313 2.040 2.641 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU H 1 4 GLU HB3 . . 3.260 2.555 2.344 2.786 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLU H 1 4 GLU QG . . 4.390 3.963 3.837 4.119 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLU H 1 5 GLU H . . 3.080 2.936 2.648 3.142 0.062 16 0 "[ . 1 . 2]" 1
36 1 4 GLU H 1 18 SER QB . . 4.690 4.386 3.824 4.767 0.077 5 0 "[ . 1 . 2]" 1
37 1 4 GLU HA 1 4 GLU HB2 . . 2.800 2.527 2.442 2.714 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLU HA 1 4 GLU QG . . 3.880 2.596 2.256 2.995 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLU HA 1 18 SER QB . . 3.070 3.077 2.718 3.173 0.103 1 0 "[ . 1 . 2]" 1
40 1 4 GLU HB3 1 5 GLU H . . 3.540 2.448 2.090 2.788 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLU HB3 1 6 HIS HD2 . . 4.790 4.863 4.779 4.881 0.091 20 0 "[ . 1 . 2]" 1
42 1 4 GLU QG 1 5 GLU H . . 3.950 3.617 2.903 4.047 0.097 12 0 "[ . 1 . 2]" 1
43 1 5 GLU H 1 5 GLU HB2 . . 3.630 2.900 2.340 3.709 0.079 17 0 "[ . 1 . 2]" 1
44 1 5 GLU H 1 5 GLU HB3 . . 3.160 3.204 2.051 3.716 0.556 10 6 "[* .* *+ . -*2]" 1
45 1 5 GLU H 1 5 GLU HG2 . . 3.890 3.122 2.309 3.976 0.086 14 0 "[ . 1 . 2]" 1
46 1 5 GLU H 1 5 GLU HG3 . . 4.000 3.198 2.466 4.091 0.091 14 0 "[ . 1 . 2]" 1
47 1 5 GLU H 1 6 HIS HB2 . . 4.760 4.141 3.682 4.798 0.038 14 0 "[ . 1 . 2]" 1
48 1 5 GLU HA 1 5 GLU HB2 . . 3.040 2.734 2.200 3.052 0.012 12 0 "[ . 1 . 2]" 1
49 1 5 GLU HA 1 5 GLU HB3 . . 3.000 2.517 2.381 3.029 0.029 14 0 "[ . 1 . 2]" 1
50 1 5 GLU HA 1 5 GLU HG3 . . 4.150 3.431 2.362 3.909 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLU HA 1 6 HIS HA . . 4.580 4.580 4.422 4.662 0.082 12 0 "[ . 1 . 2]" 1
52 1 5 GLU HA 1 6 HIS HD2 . . 4.470 4.509 4.379 4.552 0.082 8 0 "[ . 1 . 2]" 1
53 1 5 GLU HB2 1 6 HIS H . . 4.580 4.136 2.675 4.633 0.053 11 0 "[ . 1 . 2]" 1
54 1 5 GLU HB2 1 6 HIS HD2 . . 4.470 3.379 2.203 4.540 0.070 11 0 "[ . 1 . 2]" 1
55 1 5 GLU HB3 1 5 GLU HG3 . . 2.880 2.956 2.504 3.054 0.174 13 0 "[ . 1 . 2]" 1
56 1 5 GLU HB3 1 6 HIS H . . 4.750 4.160 1.902 4.551 . 0 0 "[ . 1 . 2]" 1
57 1 5 GLU HB3 1 6 HIS HD2 . . 3.970 3.965 2.556 4.540 0.570 16 1 "[ . 1 .+ 2]" 1
58 1 5 GLU HG3 1 6 HIS HD2 . . 4.690 3.867 2.234 4.764 0.074 10 0 "[ . 1 . 2]" 1
59 1 6 HIS H 1 6 HIS HB2 . . 3.410 2.729 2.463 3.506 0.096 10 0 "[ . 1 . 2]" 1
60 1 6 HIS H 1 6 HIS HB3 . . 4.060 3.774 3.629 3.963 . 0 0 "[ . 1 . 2]" 1
61 1 6 HIS H 1 6 HIS HD2 . . 4.190 3.264 2.709 3.576 . 0 0 "[ . 1 . 2]" 1
62 1 6 HIS H 1 7 PHE H . . 4.040 3.647 2.474 4.122 0.082 4 0 "[ . 1 . 2]" 1
63 1 6 HIS HA 1 6 HIS HD2 . . 4.130 4.045 3.848 4.220 0.090 10 0 "[ . 1 . 2]" 1
64 1 6 HIS HB2 1 6 HIS HD2 . . 3.050 2.762 2.595 2.832 . 0 0 "[ . 1 . 2]" 1
65 1 6 HIS HB2 1 47 GLY H . . 4.540 4.050 3.432 4.586 0.046 9 0 "[ . 1 . 2]" 1
66 1 6 HIS HB2 1 47 GLY HA2 . . 4.280 3.128 2.502 3.581 . 0 0 "[ . 1 . 2]" 1
67 1 6 HIS HB3 1 43 PHE HB3 . . 4.470 3.833 3.389 4.295 . 0 0 "[ . 1 . 2]" 1
68 1 6 HIS HB3 1 43 PHE QD . . 3.710 3.329 2.377 3.795 0.085 3 0 "[ . 1 . 2]" 1
69 1 6 HIS HB3 1 44 ASP H . . 4.450 3.417 2.883 4.262 . 0 0 "[ . 1 . 2]" 1
70 1 6 HIS HB3 1 47 GLY H . . 3.510 2.891 2.244 3.492 . 0 0 "[ . 1 . 2]" 1
71 1 6 HIS HB3 1 47 GLY HA2 . . 4.360 3.370 2.886 3.870 . 0 0 "[ . 1 . 2]" 1
72 1 6 HIS HB3 1 47 GLY HA3 . . 3.460 2.394 2.026 2.845 . 0 0 "[ . 1 . 2]" 1
73 1 6 HIS HD2 1 46 THR MG . . 4.600 4.631 4.351 4.708 0.108 10 0 "[ . 1 . 2]" 1
74 1 6 HIS HD2 1 47 GLY HA2 . . 4.280 4.222 3.826 4.368 0.088 1 0 "[ . 1 . 2]" 1
75 1 6 HIS HE1 1 46 THR HB . . 3.520 3.023 2.277 3.599 0.079 10 0 "[ . 1 . 2]" 1
76 1 6 HIS HE1 1 46 THR MG . . 3.320 2.289 2.087 2.551 . 0 0 "[ . 1 . 2]" 1
77 1 7 PHE H 1 7 PHE QD . . 4.390 4.358 3.775 4.481 0.091 5 0 "[ . 1 . 2]" 1
78 1 7 PHE HA 1 7 PHE QD . . 3.420 2.393 2.168 2.680 . 0 0 "[ . 1 . 2]" 1
79 1 7 PHE HA 1 8 ASP H . . 2.760 2.282 2.159 2.415 . 0 0 "[ . 1 . 2]" 1
80 1 7 PHE HA 1 43 PHE HA . . 3.650 2.782 2.510 3.352 . 0 0 "[ . 1 . 2]" 1
81 1 7 PHE QD 1 8 ASP HA . . 4.230 4.074 3.780 4.308 0.078 10 0 "[ . 1 . 2]" 1
82 1 7 PHE QD 1 9 PRO HB3 . . 4.360 3.757 2.917 4.456 0.096 8 0 "[ . 1 . 2]" 1
83 1 7 PHE QD 1 9 PRO HD2 . . 4.760 3.897 3.785 4.015 . 0 0 "[ . 1 . 2]" 1
84 1 7 PHE QD 1 9 PRO HD3 . . 4.550 2.194 2.075 2.346 . 0 0 "[ . 1 . 2]" 1
85 1 7 PHE QD 1 9 PRO HG2 . . 4.580 4.333 3.767 4.683 0.103 2 0 "[ . 1 . 2]" 1
86 1 7 PHE QD 1 9 PRO HG3 . . 3.470 2.969 2.233 3.526 0.056 17 0 "[ . 1 . 2]" 1
87 1 7 PHE QD 1 42 CYS HB3 . . 4.120 4.163 3.964 4.216 0.096 5 0 "[ . 1 . 2]" 1
88 1 7 PHE QE 1 9 PRO HB2 . . 5.010 4.511 3.713 5.065 0.055 15 0 "[ . 1 . 2]" 1
89 1 7 PHE QE 1 9 PRO HD3 . . 4.790 3.688 2.992 4.316 . 0 0 "[ . 1 . 2]" 1
90 1 7 PHE QE 1 9 PRO HG3 . . 3.170 2.721 2.255 3.243 0.073 9 0 "[ . 1 . 2]" 1
91 1 7 PHE QE 1 16 THR HA . . 3.980 3.059 2.513 3.412 . 0 0 "[ . 1 . 2]" 1
92 1 7 PHE QE 1 16 THR HB . . 4.280 4.295 3.712 4.378 0.098 7 0 "[ . 1 . 2]" 1
93 1 7 PHE QE 1 17 ASN HA . . 3.180 2.962 2.409 3.282 0.102 13 0 "[ . 1 . 2]" 1
94 1 7 PHE QE 1 18 SER H . . 4.620 3.291 2.646 4.345 . 0 0 "[ . 1 . 2]" 1
95 1 7 PHE QE 1 42 CYS HA . . 4.190 3.780 3.273 4.181 . 0 0 "[ . 1 . 2]" 1
96 1 7 PHE QE 1 42 CYS HB3 . . 3.360 3.240 2.498 3.451 0.091 2 0 "[ . 1 . 2]" 1
97 1 8 ASP H 1 9 PRO HA . . 4.630 3.993 3.732 4.470 . 0 0 "[ . 1 . 2]" 1
98 1 8 ASP H 1 9 PRO HD2 . . 4.160 4.102 3.957 4.223 0.063 2 0 "[ . 1 . 2]" 1
99 1 8 ASP H 1 9 PRO HD3 . . 3.850 2.897 2.668 3.268 . 0 0 "[ . 1 . 2]" 1
100 1 8 ASP H 1 43 PHE HA . . 2.930 2.343 1.856 2.837 . 0 0 "[ . 1 . 2]" 1
101 1 8 ASP H 1 44 ASP H . . 3.910 3.245 2.450 3.971 0.061 20 0 "[ . 1 . 2]" 1
102 1 8 ASP HA 1 9 PRO HD2 . . 3.020 2.441 2.136 2.805 . 0 0 "[ . 1 . 2]" 1
103 1 8 ASP HA 1 9 PRO HD3 . . 3.510 2.576 2.232 2.790 . 0 0 "[ . 1 . 2]" 1
104 1 8 ASP QB 1 43 PHE HA . . 4.180 3.871 3.333 4.261 0.081 7 0 "[ . 1 . 2]" 1
105 1 8 ASP QB 1 44 ASP H . . 3.820 3.022 2.580 3.644 . 0 0 "[ . 1 . 2]" 1
106 1 8 ASP QB 1 44 ASP HA . . 4.040 2.916 2.222 3.523 . 0 0 "[ . 1 . 2]" 1
107 1 8 ASP QB 1 44 ASP HB2 . . 3.680 3.418 2.351 4.083 0.403 10 0 "[ . 1 . 2]" 1
108 1 8 ASP QB 1 44 ASP HB3 . . 4.020 3.460 2.251 4.127 0.107 9 0 "[ . 1 . 2]" 1
109 1 9 PRO HA 1 10 ASN H . . 2.630 2.172 2.069 2.363 . 0 0 "[ . 1 . 2]" 1
110 1 9 PRO HA 1 13 CYS HB3 . . 3.840 3.766 2.905 3.922 0.082 6 0 "[ . 1 . 2]" 1
111 1 9 PRO HB2 1 13 CYS HB2 . . 4.190 3.424 2.957 4.115 . 0 0 "[ . 1 . 2]" 1
112 1 9 PRO HB2 1 13 CYS HB3 . . 3.570 2.627 2.030 3.631 0.061 20 0 "[ . 1 . 2]" 1
113 1 9 PRO HB3 1 13 CYS H . . 4.540 4.611 4.581 4.627 0.087 4 0 "[ . 1 . 2]" 1
114 1 9 PRO HB3 1 13 CYS HB2 . . 4.040 2.991 2.727 3.362 . 0 0 "[ . 1 . 2]" 1
115 1 9 PRO HB3 1 13 CYS HB3 . . 3.510 2.578 2.245 2.767 . 0 0 "[ . 1 . 2]" 1
116 1 10 ASN H 1 10 ASN HB2 . . 3.870 3.167 2.475 3.957 0.087 6 0 "[ . 1 . 2]" 1
117 1 10 ASN H 1 10 ASN HD21 . . 4.730 3.355 1.744 4.598 . 0 0 "[ . 1 . 2]" 1
118 1 10 ASN H 1 13 CYS H . . 4.070 3.770 3.198 4.095 0.025 14 0 "[ . 1 . 2]" 1
119 1 10 ASN H 1 13 CYS HB2 . . 3.560 3.309 2.456 3.924 0.364 19 0 "[ . 1 . 2]" 1
120 1 10 ASN H 1 42 CYS HA . . 4.660 3.490 3.221 3.982 . 0 0 "[ . 1 . 2]" 1
121 1 10 ASN HA 1 10 ASN HB2 . . 2.920 2.727 2.284 3.055 0.135 13 0 "[ . 1 . 2]" 1
122 1 10 ASN HA 1 10 ASN HD21 . . 4.580 4.355 3.639 4.634 0.054 17 0 "[ . 1 . 2]" 1
123 1 10 ASN HA 1 11 THR H . . 3.210 2.584 2.476 2.760 . 0 0 "[ . 1 . 2]" 1
124 1 10 ASN HA 1 11 THR MG . . 4.810 3.656 3.212 3.889 . 0 0 "[ . 1 . 2]" 1
125 1 10 ASN HB2 1 10 ASN HD21 . . 3.260 2.684 2.163 3.648 0.388 6 0 "[ . 1 . 2]" 1
126 1 10 ASN HB2 1 10 ASN HD22 . . 3.930 3.677 3.416 4.124 0.194 6 0 "[ . 1 . 2]" 1
127 1 10 ASN HB2 1 11 THR H . . 3.630 2.737 2.070 3.191 . 0 0 "[ . 1 . 2]" 1
128 1 10 ASN HB3 1 10 ASN HD21 . . 3.610 2.746 2.193 3.352 . 0 0 "[ . 1 . 2]" 1
129 1 10 ASN HB3 1 11 THR H . . 3.110 2.864 2.027 3.711 0.601 14 9 "[*-* .* * ** +. * 2]" 1
130 1 10 ASN HB3 1 11 THR MG . . 5.260 4.584 3.956 5.261 0.001 18 0 "[ . 1 . 2]" 1
131 1 10 ASN HB3 1 12 ASN H . . 4.280 4.123 2.792 5.213 0.933 11 3 "[* . 1+ -. 2]" 1
132 1 10 ASN HD21 1 41 ASP HA . . 3.520 2.386 1.944 3.216 . 0 0 "[ . 1 . 2]" 1
133 1 10 ASN HD22 1 41 ASP H . . 4.780 4.653 4.326 4.871 0.091 4 0 "[ . 1 . 2]" 1
134 1 10 ASN HD22 1 41 ASP HA . . 3.020 2.331 1.850 2.796 . 0 0 "[ . 1 . 2]" 1
135 1 10 ASN HD22 1 41 ASP QB . . 4.540 3.799 2.927 4.386 . 0 0 "[ . 1 . 2]" 1
136 1 11 THR H 1 11 THR HB . . 3.730 3.484 2.650 3.693 . 0 0 "[ . 1 . 2]" 1
137 1 11 THR H 1 11 THR MG . . 3.620 2.313 1.757 2.567 . 0 0 "[ . 1 . 2]" 1
138 1 11 THR H 1 12 ASN H . . 3.600 3.083 2.596 3.584 . 0 0 "[ . 1 . 2]" 1
139 1 11 THR HA 1 11 THR HB . . 2.420 2.470 2.159 2.502 0.082 3 0 "[ . 1 . 2]" 1
140 1 11 THR HA 1 11 THR MG . . 2.780 2.323 2.203 2.936 0.156 1 0 "[ . 1 . 2]" 1
141 1 11 THR HA 1 13 CYS H . . 4.170 3.940 3.423 4.250 0.080 13 0 "[ . 1 . 2]" 1
142 1 11 THR HB 1 12 ASN H . . 4.570 4.336 4.004 4.642 0.072 1 0 "[ . 1 . 2]" 1
143 1 11 THR MG 1 12 ASN H . . 4.670 4.312 3.648 4.452 . 0 0 "[ . 1 . 2]" 1
144 1 12 ASN H 1 12 ASN HB2 . . 3.100 2.785 2.273 3.679 0.579 4 1 "[ +. 1 . 2]" 1
145 1 12 ASN H 1 12 ASN HB3 . . 3.620 3.230 2.811 3.700 0.080 9 0 "[ . 1 . 2]" 1
146 1 12 ASN H 1 12 ASN QD . . 4.800 4.114 2.754 4.686 . 0 0 "[ . 1 . 2]" 1
147 1 12 ASN H 1 13 CYS H . . 2.800 2.128 1.722 2.717 . 0 0 "[ . 1 . 2]" 1
148 1 12 ASN H 1 13 CYS HB2 . . 4.510 4.176 3.544 4.566 0.056 3 0 "[ . 1 . 2]" 1
149 1 12 ASN HB2 1 13 CYS H . . 4.320 3.701 2.639 4.359 0.039 1 0 "[ . 1 . 2]" 1
150 1 13 CYS H 1 13 CYS HB2 . . 3.160 2.349 1.982 2.838 . 0 0 "[ . 1 . 2]" 1
151 1 13 CYS H 1 13 CYS HB3 . . 3.120 2.651 2.147 3.209 0.089 20 0 "[ . 1 . 2]" 1
152 1 13 CYS H 1 14 ASP H . . 4.670 4.529 4.176 4.674 0.004 3 0 "[ . 1 . 2]" 1
153 1 13 CYS H 1 41 ASP QB . . 4.020 3.957 3.711 4.020 . 0 0 "[ . 1 . 2]" 1
154 1 13 CYS HA 1 14 ASP H . . 2.800 2.331 2.155 2.591 . 0 0 "[ . 1 . 2]" 1
155 1 13 CYS HB2 1 42 CYS HA . . 3.180 2.791 2.279 3.255 0.075 6 0 "[ . 1 . 2]" 1
156 1 14 ASP H 1 14 ASP QB . . 3.190 2.521 2.158 2.835 . 0 0 "[ . 1 . 2]" 1
157 1 14 ASP H 1 15 TYR H . . 3.360 2.057 1.748 2.441 . 0 0 "[ . 1 . 2]" 1
158 1 14 ASP H 1 15 TYR QD . . 4.170 4.103 3.598 4.266 0.096 10 0 "[ . 1 . 2]" 1
159 1 14 ASP HA 1 16 THR MG . . 4.710 4.230 3.659 4.788 0.078 17 0 "[ . 1 . 2]" 1
160 1 14 ASP QB 1 15 TYR H . . 4.380 2.733 1.998 3.298 . 0 0 "[ . 1 . 2]" 1
161 1 14 ASP QB 1 15 TYR QD . . 4.610 2.986 2.297 3.996 . 0 0 "[ . 1 . 2]" 1
162 1 14 ASP QB 1 15 TYR QE . . 4.560 3.813 3.059 4.512 . 0 0 "[ . 1 . 2]" 1
163 1 15 TYR H 1 15 TYR HB2 . . 3.460 2.414 2.254 2.546 . 0 0 "[ . 1 . 2]" 1
164 1 15 TYR H 1 15 TYR QD . . 3.140 2.845 2.373 3.191 0.051 10 0 "[ . 1 . 2]" 1
165 1 15 TYR H 1 16 THR H . . 4.730 4.500 4.323 4.654 . 0 0 "[ . 1 . 2]" 1
166 1 15 TYR H 1 21 ALA MB . . 5.010 4.161 3.737 4.648 . 0 0 "[ . 1 . 2]" 1
167 1 15 TYR HA 1 15 TYR QD . . 2.980 2.409 2.219 2.779 . 0 0 "[ . 1 . 2]" 1
168 1 15 TYR HA 1 15 TYR QE . . 4.440 4.455 4.278 4.520 0.080 1 0 "[ . 1 . 2]" 1
169 1 15 TYR HA 1 16 THR H . . 2.790 2.175 2.062 2.269 . 0 0 "[ . 1 . 2]" 1
170 1 15 TYR HA 1 16 THR MG . . 4.180 3.737 3.385 4.054 . 0 0 "[ . 1 . 2]" 1
171 1 15 TYR HA 1 17 ASN H . . 4.070 3.980 3.661 4.155 0.085 16 0 "[ . 1 . 2]" 1
172 1 15 TYR HA 1 21 ALA MB . . 4.850 4.614 4.279 4.939 0.089 6 0 "[ . 1 . 2]" 1
173 1 15 TYR HB2 1 16 THR H . . 4.440 4.264 3.723 4.478 0.038 10 0 "[ . 1 . 2]" 1
174 1 15 TYR HB2 1 17 ASN H . . 4.490 4.031 3.649 4.559 0.069 12 0 "[ . 1 . 2]" 1
175 1 15 TYR HB2 1 21 ALA H . . 4.060 3.810 3.191 4.135 0.075 18 0 "[ . 1 . 2]" 1
176 1 15 TYR HB2 1 21 ALA HA . . 3.990 3.012 2.367 3.868 . 0 0 "[ . 1 . 2]" 1
177 1 15 TYR HB2 1 21 ALA MB . . 3.570 2.371 2.082 2.742 . 0 0 "[ . 1 . 2]" 1
178 1 15 TYR HB3 1 16 THR H . . 3.580 3.316 2.519 3.645 0.065 19 0 "[ . 1 . 2]" 1
179 1 15 TYR HB3 1 17 ASN H . . 3.530 2.911 2.594 3.488 . 0 0 "[ . 1 . 2]" 1
180 1 15 TYR HB3 1 20 ASP HB2 . . 3.740 3.204 2.290 3.809 0.069 11 0 "[ . 1 . 2]" 1
181 1 15 TYR HB3 1 20 ASP HB3 . . 3.720 3.408 2.781 3.782 0.062 6 0 "[ . 1 . 2]" 1
182 1 15 TYR HB3 1 21 ALA H . . 3.660 3.188 2.856 3.614 . 0 0 "[ . 1 . 2]" 1
183 1 15 TYR HB3 1 21 ALA HA . . 4.290 3.682 3.155 4.364 0.074 6 0 "[ . 1 . 2]" 1
184 1 15 TYR HB3 1 21 ALA MB . . 3.890 2.831 2.287 3.295 . 0 0 "[ . 1 . 2]" 1
185 1 15 TYR QD 1 16 THR H . . 4.260 4.140 3.342 4.346 0.086 8 0 "[ . 1 . 2]" 1
186 1 15 TYR QD 1 20 ASP HB2 . . 3.610 3.470 2.887 3.703 0.093 7 0 "[ . 1 . 2]" 1
187 1 15 TYR QD 1 20 ASP HB3 . . 3.110 2.677 2.227 3.182 0.072 9 0 "[ . 1 . 2]" 1
188 1 15 TYR QD 1 21 ALA H . . 4.280 3.662 3.014 4.377 0.097 4 0 "[ . 1 . 2]" 1
189 1 15 TYR QD 1 21 ALA HA . . 3.160 2.609 2.125 3.237 0.077 1 0 "[ . 1 . 2]" 1
190 1 15 TYR QD 1 21 ALA MB . . 3.390 3.425 2.814 3.517 0.127 4 0 "[ . 1 . 2]" 1
191 1 15 TYR QE 1 21 ALA HA . . 4.610 4.444 3.861 4.678 0.068 1 0 "[ . 1 . 2]" 1
192 1 15 TYR QE 1 24 TYR HB2 . . 4.400 3.806 2.884 4.466 0.066 4 0 "[ . 1 . 2]" 1
193 1 15 TYR QE 1 24 TYR HB3 . . 4.470 4.218 3.122 4.563 0.093 1 0 "[ . 1 . 2]" 1
194 1 15 TYR QE 1 24 TYR QE . . 4.610 3.248 2.897 3.901 . 0 0 "[ . 1 . 2]" 1
195 1 16 THR H 1 16 THR HB . . 4.180 3.650 3.438 3.822 . 0 0 "[ . 1 . 2]" 1
196 1 16 THR H 1 16 THR MG . . 3.540 2.820 2.427 3.248 . 0 0 "[ . 1 . 2]" 1
197 1 16 THR H 1 17 ASN H . . 2.960 2.882 2.310 3.045 0.085 14 0 "[ . 1 . 2]" 1
198 1 16 THR H 1 17 ASN HD22 . . 4.710 3.886 3.093 4.687 . 0 0 "[ . 1 . 2]" 1
199 1 16 THR HA 1 16 THR HB . . 2.780 2.475 2.328 2.568 . 0 0 "[ . 1 . 2]" 1
200 1 16 THR HA 1 16 THR MG . . 2.880 2.274 2.142 2.433 . 0 0 "[ . 1 . 2]" 1
201 1 16 THR HB 1 17 ASN H . . 4.510 4.497 4.418 4.565 0.055 13 0 "[ . 1 . 2]" 1
202 1 16 THR MG 1 17 ASN H . . 4.800 4.410 4.262 4.485 . 0 0 "[ . 1 . 2]" 1
203 1 17 ASN H 1 18 SER HA . . 4.800 4.781 4.546 4.892 0.092 16 0 "[ . 1 . 2]" 1
204 1 17 ASN H 1 20 ASP HB2 . . 4.250 3.900 3.375 4.339 0.089 13 0 "[ . 1 . 2]" 1
205 1 17 ASN HA 1 17 ASN HB3 . . 2.770 2.357 2.205 2.596 . 0 0 "[ . 1 . 2]" 1
206 1 17 ASN HA 1 17 ASN HD21 . . 3.750 3.818 3.603 3.838 0.088 2 0 "[ . 1 . 2]" 1
207 1 17 ASN HB2 1 17 ASN HD22 . . 3.510 3.650 3.538 4.102 0.592 2 3 "[ + - 1 * . 2]" 1
208 1 17 ASN HB2 1 18 SER H . . 3.650 3.549 2.393 3.743 0.093 7 0 "[ . 1 . 2]" 1
209 1 17 ASN HB2 1 19 GLN H . . 4.290 3.303 2.662 4.015 . 0 0 "[ . 1 . 2]" 1
210 1 17 ASN HB3 1 18 SER H . . 3.330 3.041 2.513 3.722 0.392 2 0 "[ . 1 . 2]" 1
211 1 17 ASN HB3 1 19 GLN H . . 4.190 3.331 1.923 4.372 0.182 13 0 "[ . 1 . 2]" 1
212 1 17 ASN HD21 1 20 ASP H . . 4.470 4.356 3.602 4.539 0.069 16 0 "[ . 1 . 2]" 1
213 1 17 ASN HD21 1 20 ASP HB2 . . 4.230 3.014 2.172 3.359 . 0 0 "[ . 1 . 2]" 1
214 1 17 ASN HD21 1 20 ASP HB3 . . 4.580 4.259 3.448 4.665 0.085 5 0 "[ . 1 . 2]" 1
215 1 18 SER H 1 18 SER QB . . 3.220 2.654 2.349 3.265 0.045 5 0 "[ . 1 . 2]" 1
216 1 18 SER H 1 19 GLN H . . 3.370 2.817 2.508 3.322 . 0 0 "[ . 1 . 2]" 1
217 1 18 SER HA 1 18 SER QB . . 2.500 2.256 2.157 2.432 . 0 0 "[ . 1 . 2]" 1
218 1 18 SER HA 1 22 TRP H . . 4.150 3.871 3.340 4.214 0.064 12 0 "[ . 1 . 2]" 1
219 1 18 SER HA 1 43 PHE QE . . 3.830 3.645 3.051 3.923 0.093 20 0 "[ . 1 . 2]" 1
220 1 18 SER HA 1 43 PHE HZ . . 4.220 3.203 2.710 3.724 . 0 0 "[ . 1 . 2]" 1
221 1 18 SER QB 1 19 GLN H . . 4.540 3.309 2.414 4.069 . 0 0 "[ . 1 . 2]" 1
222 1 18 SER QB 1 43 PHE QE . . 4.330 3.640 2.568 4.408 0.078 5 0 "[ . 1 . 2]" 1
223 1 19 GLN H 1 19 GLN HB2 . . 3.030 2.471 2.081 3.079 0.049 16 0 "[ . 1 . 2]" 1
224 1 19 GLN H 1 19 GLN HB3 . . 3.070 2.783 2.416 3.153 0.083 8 0 "[ . 1 . 2]" 1
225 1 19 GLN H 1 19 GLN HG2 . . 5.340 4.488 4.019 5.022 . 0 0 "[ . 1 . 2]" 1
226 1 19 GLN H 1 19 GLN HG3 . . 4.540 4.578 4.406 5.115 0.575 8 1 "[ . + 1 . 2]" 1
227 1 19 GLN H 1 20 ASP H . . 3.220 2.764 2.259 3.268 0.048 1 0 "[ . 1 . 2]" 1
228 1 19 GLN HA 1 19 GLN HE22 . . 4.310 3.777 3.371 4.362 0.052 17 0 "[ . 1 . 2]" 1
229 1 19 GLN HA 1 19 GLN HG2 . . 3.960 3.220 2.297 3.863 . 0 0 "[ . 1 . 2]" 1
230 1 19 GLN HA 1 19 GLN HG3 . . 3.870 3.226 2.820 3.677 . 0 0 "[ . 1 . 2]" 1
231 1 19 GLN HA 1 22 TRP H . . 3.800 3.786 3.540 3.878 0.078 2 0 "[ . 1 . 2]" 1
232 1 19 GLN HA 1 22 TRP QB . . 3.720 2.557 2.328 2.792 . 0 0 "[ . 1 . 2]" 1
233 1 19 GLN HA 1 22 TRP HD1 . . 4.270 4.102 3.535 4.338 0.068 20 0 "[ . 1 . 2]" 1
234 1 19 GLN HB2 1 19 GLN HG2 . . 2.810 2.500 2.401 2.581 . 0 0 "[ . 1 . 2]" 1
235 1 19 GLN HB3 1 20 ASP H . . 3.300 2.488 2.165 3.041 . 0 0 "[ . 1 . 2]" 1
236 1 19 GLN HE21 1 19 GLN HG3 . . 3.220 2.741 2.227 3.581 0.361 7 0 "[ . 1 . 2]" 1
237 1 19 GLN HE21 1 22 TRP HD1 . . 4.040 3.149 2.558 4.096 0.056 15 0 "[ . 1 . 2]" 1
238 1 19 GLN HE22 1 19 GLN HG3 . . 4.070 3.751 3.529 4.120 0.050 7 0 "[ . 1 . 2]" 1
239 1 19 GLN HE22 1 22 TRP HD1 . . 4.300 3.436 2.606 4.196 . 0 0 "[ . 1 . 2]" 1
240 1 20 ASP H 1 20 ASP HB2 . . 3.140 2.345 2.227 2.569 . 0 0 "[ . 1 . 2]" 1
241 1 20 ASP H 1 20 ASP HB3 . . 3.480 3.539 3.485 3.557 0.077 2 0 "[ . 1 . 2]" 1
242 1 20 ASP H 1 21 ALA H . . 3.080 2.871 2.485 3.126 0.046 12 0 "[ . 1 . 2]" 1
243 1 20 ASP H 1 21 ALA MB . . 4.910 4.500 4.178 4.729 . 0 0 "[ . 1 . 2]" 1
244 1 20 ASP HA 1 23 ASP HB2 . . 3.990 2.812 2.428 3.182 . 0 0 "[ . 1 . 2]" 1
245 1 20 ASP HA 1 24 TYR QD . . 3.140 3.217 3.105 3.247 0.107 17 0 "[ . 1 . 2]" 1
246 1 20 ASP HA 1 24 TYR QE . . 3.880 3.764 3.342 3.968 0.088 19 0 "[ . 1 . 2]" 1
247 1 20 ASP HB2 1 21 ALA H . . 3.390 2.600 2.263 3.014 . 0 0 "[ . 1 . 2]" 1
248 1 20 ASP HB3 1 21 ALA H . . 3.260 3.234 2.966 3.341 0.081 14 0 "[ . 1 . 2]" 1
249 1 20 ASP HB3 1 21 ALA HA . . 4.260 4.138 3.832 4.324 0.064 12 0 "[ . 1 . 2]" 1
250 1 20 ASP HB3 1 24 TYR QE . . 4.100 4.066 3.537 4.194 0.094 7 0 "[ . 1 . 2]" 1
251 1 21 ALA H 1 21 ALA MB . . 2.980 2.244 2.191 2.327 . 0 0 "[ . 1 . 2]" 1
252 1 21 ALA H 1 22 TRP H . . 3.170 2.855 2.688 2.999 . 0 0 "[ . 1 . 2]" 1
253 1 21 ALA HA 1 24 TYR H . . 4.160 3.850 3.651 4.123 . 0 0 "[ . 1 . 2]" 1
254 1 21 ALA HA 1 24 TYR HB2 . . 4.400 3.038 2.611 3.569 . 0 0 "[ . 1 . 2]" 1
255 1 21 ALA HA 1 25 CYS H . . 3.980 3.945 3.659 4.045 0.065 4 0 "[ . 1 . 2]" 1
256 1 21 ALA MB 1 22 TRP H . . 3.390 2.418 2.230 2.770 . 0 0 "[ . 1 . 2]" 1
257 1 21 ALA MB 1 25 CYS H . . 5.010 4.511 4.155 4.684 . 0 0 "[ . 1 . 2]" 1
258 1 21 ALA MB 1 42 CYS HB3 . . 3.200 2.870 2.497 3.144 . 0 0 "[ . 1 . 2]" 1
259 1 21 ALA MB 1 43 PHE QD . . 4.450 4.300 3.786 4.553 0.103 2 0 "[ . 1 . 2]" 1
260 1 21 ALA MB 1 43 PHE QE . . 3.640 3.060 2.571 3.360 . 0 0 "[ . 1 . 2]" 1
261 1 21 ALA MB 1 43 PHE HZ . . 3.690 3.266 2.669 3.747 0.057 12 0 "[ . 1 . 2]" 1
262 1 22 TRP H 1 22 TRP QB . . 2.840 2.185 2.135 2.235 . 0 0 "[ . 1 . 2]" 1
263 1 22 TRP H 1 22 TRP HD1 . . 4.850 4.823 4.545 4.902 0.052 11 0 "[ . 1 . 2]" 1
264 1 22 TRP H 1 22 TRP HE3 . . 5.010 4.802 4.666 5.061 0.051 2 0 "[ . 1 . 2]" 1
265 1 22 TRP H 1 23 ASP H . . 3.090 2.975 2.759 3.108 0.018 3 0 "[ . 1 . 2]" 1
266 1 22 TRP H 1 43 PHE QE . . 4.050 3.601 3.264 3.902 . 0 0 "[ . 1 . 2]" 1
267 1 22 TRP H 1 43 PHE HZ . . 3.490 3.147 2.699 3.457 . 0 0 "[ . 1 . 2]" 1
268 1 22 TRP HA 1 22 TRP HD1 . . 4.350 4.294 4.178 4.417 0.067 5 0 "[ . 1 . 2]" 1
269 1 22 TRP HA 1 22 TRP HE3 . . 3.300 3.232 2.944 3.371 0.071 16 0 "[ . 1 . 2]" 1
270 1 22 TRP HA 1 25 CYS HB2 . . 4.190 2.776 2.451 4.263 0.073 2 0 "[ . 1 . 2]" 1
271 1 22 TRP HA 1 26 THR MG . . 4.110 3.038 2.896 3.318 . 0 0 "[ . 1 . 2]" 1
272 1 22 TRP HA 1 43 PHE QD . . 4.600 4.634 4.447 4.696 0.096 18 0 "[ . 1 . 2]" 1
273 1 22 TRP HA 1 43 PHE QE . . 3.540 2.524 2.281 2.720 . 0 0 "[ . 1 . 2]" 1
274 1 22 TRP HA 1 43 PHE HZ . . 3.500 3.354 2.589 3.555 0.055 15 0 "[ . 1 . 2]" 1
275 1 22 TRP QB 1 22 TRP HD1 . . 2.860 2.595 2.491 2.677 . 0 0 "[ . 1 . 2]" 1
276 1 22 TRP QB 1 22 TRP HE3 . . 3.410 2.578 2.475 2.710 . 0 0 "[ . 1 . 2]" 1
277 1 22 TRP QB 1 23 ASP H . . 3.410 2.391 2.248 2.501 . 0 0 "[ . 1 . 2]" 1
278 1 22 TRP QB 1 43 PHE QE . . 4.190 3.286 2.999 3.454 . 0 0 "[ . 1 . 2]" 1
279 1 22 TRP QB 1 43 PHE HZ . . 3.530 2.303 2.164 2.639 . 0 0 "[ . 1 . 2]" 1
280 1 22 TRP HD1 1 23 ASP H . . 3.980 3.073 2.597 3.332 . 0 0 "[ . 1 . 2]" 1
281 1 22 TRP HD1 1 23 ASP HA . . 3.430 2.955 2.751 3.483 0.053 3 0 "[ . 1 . 2]" 1
282 1 22 TRP HD1 1 26 THR MG . . 4.130 3.650 3.018 3.979 . 0 0 "[ . 1 . 2]" 1
283 1 22 TRP HE1 1 26 THR MG . . 4.400 3.320 2.866 3.775 . 0 0 "[ . 1 . 2]" 1
284 1 22 TRP HE1 1 54 GLN QG . . 3.880 2.526 2.218 3.172 . 0 0 "[ . 1 . 2]" 1
285 1 22 TRP HE3 1 26 THR MG . . 4.170 3.834 3.668 4.014 . 0 0 "[ . 1 . 2]" 1
286 1 22 TRP HE3 1 43 PHE QE . . 3.570 3.264 2.940 3.630 0.060 17 0 "[ . 1 . 2]" 1
287 1 22 TRP HE3 1 43 PHE HZ . . 3.580 2.954 2.466 3.537 . 0 0 "[ . 1 . 2]" 1
288 1 22 TRP HE3 1 50 ALA MB . . 4.780 4.697 4.525 4.856 0.076 15 0 "[ . 1 . 2]" 1
289 1 22 TRP HE3 1 51 CYS HA . . 3.840 3.890 3.809 3.922 0.082 14 0 "[ . 1 . 2]" 1
290 1 22 TRP HE3 1 51 CYS QB . . 3.870 2.882 2.653 3.203 . 0 0 "[ . 1 . 2]" 1
291 1 22 TRP HH2 1 26 THR MG . . 4.500 4.465 4.225 4.565 0.065 13 0 "[ . 1 . 2]" 1
292 1 22 TRP HH2 1 50 ALA HA . . 4.640 3.889 3.618 4.055 . 0 0 "[ . 1 . 2]" 1
293 1 22 TRP HH2 1 50 ALA MB . . 3.200 2.083 1.965 2.156 . 0 0 "[ . 1 . 2]" 1
294 1 22 TRP HH2 1 51 CYS H . . 4.400 3.591 3.506 3.688 . 0 0 "[ . 1 . 2]" 1
295 1 22 TRP HH2 1 51 CYS HA . . 3.570 2.928 2.746 3.064 . 0 0 "[ . 1 . 2]" 1
296 1 22 TRP HH2 1 51 CYS QB . . 3.740 3.831 3.816 3.841 0.101 11 0 "[ . 1 . 2]" 1
297 1 22 TRP HH2 1 54 GLN HB2 . . 4.340 3.806 3.446 4.136 . 0 0 "[ . 1 . 2]" 1
298 1 22 TRP HZ2 1 26 THR MG . . 4.130 3.711 3.514 4.004 . 0 0 "[ . 1 . 2]" 1
299 1 22 TRP HZ2 1 50 ALA MB . . 4.050 4.092 3.893 4.152 0.102 14 0 "[ . 1 . 2]" 1
300 1 22 TRP HZ2 1 51 CYS HA . . 4.560 3.810 3.620 4.088 . 0 0 "[ . 1 . 2]" 1
301 1 22 TRP HZ2 1 54 GLN HB2 . . 3.760 2.708 2.357 3.061 . 0 0 "[ . 1 . 2]" 1
302 1 22 TRP HZ2 1 54 GLN HB3 . . 4.290 3.638 3.362 3.940 . 0 0 "[ . 1 . 2]" 1
303 1 22 TRP HZ2 1 54 GLN QG . . 3.180 3.104 2.715 3.253 0.073 20 0 "[ . 1 . 2]" 1
304 1 22 TRP HZ3 1 26 THR MG . . 4.730 4.545 4.289 4.787 0.057 2 0 "[ . 1 . 2]" 1
305 1 22 TRP HZ3 1 50 ALA MB . . 3.930 2.529 2.363 2.716 . 0 0 "[ . 1 . 2]" 1
306 1 22 TRP HZ3 1 51 CYS H . . 3.880 2.938 2.745 3.113 . 0 0 "[ . 1 . 2]" 1
307 1 22 TRP HZ3 1 51 CYS HA . . 3.090 3.051 2.882 3.165 0.075 20 0 "[ . 1 . 2]" 1
308 1 22 TRP HZ3 1 51 CYS QB . . 3.370 2.218 2.119 2.327 . 0 0 "[ . 1 . 2]" 1
309 1 23 ASP H 1 23 ASP HB2 . . 2.980 2.368 2.212 2.511 . 0 0 "[ . 1 . 2]" 1
310 1 23 ASP H 1 23 ASP HB3 . . 3.560 3.560 3.491 3.613 0.053 8 0 "[ . 1 . 2]" 1
311 1 23 ASP H 1 24 TYR QD . . 4.480 4.167 3.904 4.444 . 0 0 "[ . 1 . 2]" 1
312 1 23 ASP HA 1 28 TYR H . . 4.240 3.587 3.357 3.898 . 0 0 "[ . 1 . 2]" 1
313 1 23 ASP HA 1 28 TYR HB2 . . 3.550 2.780 2.493 3.150 . 0 0 "[ . 1 . 2]" 1
314 1 23 ASP HA 1 28 TYR HB3 . . 3.050 2.438 2.149 2.868 . 0 0 "[ . 1 . 2]" 1
315 1 23 ASP HA 1 28 TYR QD . . 3.630 3.641 3.261 3.733 0.103 15 0 "[ . 1 . 2]" 1
316 1 23 ASP HB2 1 24 TYR H . . 3.600 2.715 2.362 3.069 . 0 0 "[ . 1 . 2]" 1
317 1 23 ASP HB2 1 24 TYR QD . . 3.740 2.728 2.284 3.315 . 0 0 "[ . 1 . 2]" 1
318 1 23 ASP HB2 1 28 TYR QD . . 3.690 3.766 3.733 3.782 0.092 18 0 "[ . 1 . 2]" 1
319 1 23 ASP HB2 1 29 ILE QG . . 4.020 3.334 3.091 3.901 . 0 0 "[ . 1 . 2]" 1
320 1 23 ASP HB3 1 24 TYR H . . 3.970 3.384 3.180 3.530 . 0 0 "[ . 1 . 2]" 1
321 1 23 ASP HB3 1 24 TYR HA . . 4.090 4.147 4.080 4.174 0.084 15 0 "[ . 1 . 2]" 1
322 1 23 ASP HB3 1 28 TYR QD . . 3.570 2.274 2.141 2.388 . 0 0 "[ . 1 . 2]" 1
323 1 23 ASP HB3 1 29 ILE MD . . 4.140 3.820 3.535 4.227 0.087 10 0 "[ . 1 . 2]" 1
324 1 23 ASP HB3 1 29 ILE QG . . 3.640 2.264 2.061 2.820 . 0 0 "[ . 1 . 2]" 1
325 1 23 ASP HB3 1 29 ILE MG . . 4.710 4.529 4.185 4.833 0.123 10 0 "[ . 1 . 2]" 1
326 1 24 TYR H 1 24 TYR HB2 . . 3.120 2.234 2.204 2.266 . 0 0 "[ . 1 . 2]" 1
327 1 24 TYR H 1 24 TYR HB3 . . 3.440 3.500 3.475 3.509 0.069 3 0 "[ . 1 . 2]" 1
328 1 24 TYR H 1 24 TYR QD . . 3.180 2.214 2.028 2.309 . 0 0 "[ . 1 . 2]" 1
329 1 24 TYR H 1 24 TYR QE . . 4.560 4.538 4.351 4.624 0.064 19 0 "[ . 1 . 2]" 1
330 1 24 TYR H 1 25 CYS H . . 3.070 2.715 2.592 2.905 . 0 0 "[ . 1 . 2]" 1
331 1 24 TYR H 1 26 THR H . . 4.370 4.146 3.971 4.413 0.043 8 0 "[ . 1 . 2]" 1
332 1 24 TYR HA 1 29 ILE H . . 4.240 2.957 2.685 3.255 . 0 0 "[ . 1 . 2]" 1
333 1 24 TYR HA 1 29 ILE HB . . 3.960 2.508 2.231 3.256 . 0 0 "[ . 1 . 2]" 1
334 1 24 TYR HA 1 29 ILE QG . . 4.450 3.956 3.684 4.219 . 0 0 "[ . 1 . 2]" 1
335 1 24 TYR HA 1 29 ILE MG . . 4.130 3.723 3.327 4.240 0.110 10 0 "[ . 1 . 2]" 1
336 1 24 TYR HA 1 31 ASN HD21 . . 3.560 2.745 2.370 2.956 . 0 0 "[ . 1 . 2]" 1
337 1 24 TYR HA 1 31 ASN HD22 . . 3.400 2.946 2.619 3.449 0.049 2 0 "[ . 1 . 2]" 1
338 1 24 TYR HB2 1 25 CYS H . . 3.560 2.672 2.481 2.885 . 0 0 "[ . 1 . 2]" 1
339 1 24 TYR HB3 1 25 CYS H . . 3.910 3.322 3.120 3.563 . 0 0 "[ . 1 . 2]" 1
340 1 24 TYR HB3 1 31 ASN HD21 . . 4.610 3.449 2.760 3.914 . 0 0 "[ . 1 . 2]" 1
341 1 24 TYR HB3 1 31 ASN HD22 . . 3.960 2.749 2.505 3.224 . 0 0 "[ . 1 . 2]" 1
342 1 24 TYR QD 1 25 CYS H . . 4.380 4.452 4.379 4.465 0.085 6 0 "[ . 1 . 2]" 1
343 1 24 TYR QD 1 29 ILE HB . . 4.230 3.126 2.815 3.847 . 0 0 "[ . 1 . 2]" 1
344 1 24 TYR QD 1 29 ILE QG . . 3.930 3.229 3.075 3.677 . 0 0 "[ . 1 . 2]" 1
345 1 24 TYR QD 1 29 ILE MG . . 3.920 3.413 2.974 3.886 . 0 0 "[ . 1 . 2]" 1
346 1 24 TYR QD 1 31 ASN HB2 . . 4.000 2.883 2.484 3.455 . 0 0 "[ . 1 . 2]" 1
347 1 24 TYR QD 1 31 ASN HB3 . . 4.000 2.771 2.255 3.410 . 0 0 "[ . 1 . 2]" 1
348 1 24 TYR QD 1 31 ASN HD21 . . 3.790 3.562 3.174 3.863 0.073 10 0 "[ . 1 . 2]" 1
349 1 24 TYR QD 1 31 ASN HD22 . . 3.960 3.674 3.294 4.027 0.067 19 0 "[ . 1 . 2]" 1
350 1 24 TYR QE 1 29 ILE HB . . 4.010 3.707 3.449 4.067 0.057 10 0 "[ . 1 . 2]" 1
351 1 24 TYR QE 1 29 ILE MD . . 5.000 4.028 3.813 4.290 . 0 0 "[ . 1 . 2]" 1
352 1 24 TYR QE 1 29 ILE QG . . 3.360 2.993 2.619 3.375 0.015 10 0 "[ . 1 . 2]" 1
353 1 24 TYR QE 1 29 ILE MG . . 3.160 2.758 2.549 3.252 0.092 10 0 "[ . 1 . 2]" 1
354 1 24 TYR QE 1 31 ASN HB2 . . 4.130 3.428 2.934 4.191 0.061 4 0 "[ . 1 . 2]" 1
355 1 24 TYR QE 1 31 ASN HB3 . . 4.090 3.220 2.886 3.709 . 0 0 "[ . 1 . 2]" 1
356 1 25 CYS H 1 25 CYS HB2 . . 3.190 2.565 2.427 2.676 . 0 0 "[ . 1 . 2]" 1
357 1 25 CYS H 1 25 CYS HB3 . . 4.030 3.509 2.420 3.672 . 0 0 "[ . 1 . 2]" 1
358 1 25 CYS H 1 26 THR H . . 3.120 2.832 2.739 2.926 . 0 0 "[ . 1 . 2]" 1
359 1 25 CYS H 1 26 THR MG . . 4.610 4.093 3.991 4.207 . 0 0 "[ . 1 . 2]" 1
360 1 25 CYS HA 1 25 CYS HB3 . . 2.590 2.556 2.459 3.043 0.453 2 0 "[ . 1 . 2]" 1
361 1 25 CYS HB2 1 26 THR H . . 3.670 2.706 2.271 4.091 0.421 2 0 "[ . 1 . 2]" 1
362 1 25 CYS HB2 1 26 THR MG . . 4.650 2.671 2.300 4.764 0.114 2 0 "[ . 1 . 2]" 1
363 1 25 CYS HB2 1 43 PHE QE . . 3.880 3.651 3.044 4.547 0.667 2 1 "[ + . 1 . 2]" 1
364 1 25 CYS HB3 1 26 THR H . . 4.260 3.475 2.628 3.758 . 0 0 "[ . 1 . 2]" 1
365 1 25 CYS HB3 1 43 PHE QE . . 4.480 4.341 2.785 4.556 0.076 17 0 "[ . 1 . 2]" 1
366 1 26 THR H 1 26 THR MG . . 3.370 2.254 2.077 2.443 . 0 0 "[ . 1 . 2]" 1
367 1 26 THR HA 1 26 THR MG . . 2.940 2.341 2.276 2.571 . 0 0 "[ . 1 . 2]" 1
368 1 26 THR HA 1 54 GLN HB3 . . 4.240 3.840 3.588 4.005 . 0 0 "[ . 1 . 2]" 1
369 1 26 THR HA 1 54 GLN QG . . 3.890 3.987 3.946 4.000 0.110 8 0 "[ . 1 . 2]" 1
370 1 26 THR HA 1 55 ALA H . . 4.080 4.009 3.770 4.154 0.074 9 0 "[ . 1 . 2]" 1
371 1 26 THR HA 1 55 ALA HA . . 3.300 2.857 2.525 3.277 . 0 0 "[ . 1 . 2]" 1
372 1 26 THR HA 1 55 ALA MB . . 2.790 2.120 1.975 2.333 . 0 0 "[ . 1 . 2]" 1
373 1 26 THR HB 1 54 GLN HB2 . . 3.830 3.917 3.905 3.924 0.094 18 0 "[ . 1 . 2]" 1
374 1 26 THR HB 1 54 GLN HB3 . . 3.430 2.545 2.509 2.615 . 0 0 "[ . 1 . 2]" 1
375 1 26 THR HB 1 54 GLN QG . . 3.010 1.972 1.936 2.044 . 0 0 "[ . 1 . 2]" 1
376 1 26 THR HB 1 55 ALA H . . 4.460 4.310 3.994 4.512 0.052 17 0 "[ . 1 . 2]" 1
377 1 26 THR HB 1 55 ALA HA . . 3.720 3.754 3.611 3.806 0.086 18 0 "[ . 1 . 2]" 1
378 1 26 THR HB 1 55 ALA MB . . 3.750 3.771 3.620 3.848 0.098 4 0 "[ . 1 . 2]" 1
379 1 26 THR HB 1 58 ASN HD21 . . 3.590 2.977 2.604 3.363 . 0 0 "[ . 1 . 2]" 1
380 1 26 THR HB 1 58 ASN HD22 . . 4.190 3.966 3.613 4.263 0.073 20 0 "[ . 1 . 2]" 1
381 1 26 THR HB 1 59 SER H . . 5.030 4.961 4.458 5.111 0.081 18 0 "[ . 1 . 2]" 1
382 1 26 THR MG 1 54 GLN H . . 4.700 3.967 3.734 4.396 . 0 0 "[ . 1 . 2]" 1
383 1 26 THR MG 1 54 GLN HB2 . . 3.870 3.194 3.127 3.282 . 0 0 "[ . 1 . 2]" 1
384 1 26 THR MG 1 54 GLN HB3 . . 3.570 1.967 1.923 2.048 . 0 0 "[ . 1 . 2]" 1
385 1 26 THR MG 1 54 GLN QG . . 3.340 2.311 2.066 2.620 . 0 0 "[ . 1 . 2]" 1
386 1 26 THR MG 1 55 ALA H . . 4.600 3.738 3.497 4.369 . 0 0 "[ . 1 . 2]" 1
387 1 26 THR MG 1 55 ALA HA . . 5.060 4.203 3.866 4.736 . 0 0 "[ . 1 . 2]" 1
388 1 26 THR MG 1 55 ALA MB . . 4.290 3.017 2.636 3.806 . 0 0 "[ . 1 . 2]" 1
389 1 26 THR MG 1 58 ASN HD21 . . 5.090 4.470 4.114 4.798 . 0 0 "[ . 1 . 2]" 1
390 1 27 ASN H 1 27 ASN HA . . 2.680 2.218 2.163 2.281 . 0 0 "[ . 1 . 2]" 1
391 1 27 ASN H 1 27 ASN HB2 . . 4.190 3.134 2.973 3.414 . 0 0 "[ . 1 . 2]" 1
392 1 27 ASN H 1 27 ASN HB3 . . 3.800 3.701 3.404 3.840 0.040 8 0 "[ . 1 . 2]" 1
393 1 27 ASN H 1 28 TYR H . . 3.570 2.604 2.493 2.720 . 0 0 "[ . 1 . 2]" 1
394 1 27 ASN H 1 28 TYR HB2 . . 4.730 4.721 4.467 4.794 0.064 3 0 "[ . 1 . 2]" 1
395 1 27 ASN H 1 34 CYS QB . . 3.960 2.895 2.515 3.283 . 0 0 "[ . 1 . 2]" 1
396 1 27 ASN HA 1 29 ILE H . . 4.250 3.156 2.731 3.751 . 0 0 "[ . 1 . 2]" 1
397 1 27 ASN HA 1 30 VAL HA . . 4.290 3.680 3.318 4.324 0.034 3 0 "[ . 1 . 2]" 1
398 1 27 ASN HA 1 30 VAL QG . . 4.770 4.147 3.642 4.720 . 0 0 "[ . 1 . 2]" 1
399 1 27 ASN HA 1 31 ASN HD21 . . 3.820 3.597 3.230 3.886 0.066 18 0 "[ . 1 . 2]" 1
400 1 27 ASN HA 1 31 ASN HD22 . . 4.020 3.841 3.172 4.103 0.083 14 0 "[ . 1 . 2]" 1
401 1 27 ASN HA 1 34 CYS QB . . 3.930 3.060 2.320 3.387 . 0 0 "[ . 1 . 2]" 1
402 1 27 ASN HB2 1 27 ASN QD . . 3.180 2.926 1.980 3.388 0.208 14 0 "[ . 1 . 2]" 1
403 1 27 ASN HB2 1 60 CYS HA . . 3.760 3.370 2.799 3.827 0.067 1 0 "[ . 1 . 2]" 1
404 1 27 ASN HB2 1 60 CYS QB . . 3.810 2.457 2.138 3.261 . 0 0 "[ . 1 . 2]" 1
405 1 27 ASN HB3 1 34 CYS QB . . 3.380 3.798 3.332 4.354 0.974 1 9 "[+ *. *** * -* * 2]" 1
406 1 27 ASN HB3 1 60 CYS QB . . 3.410 2.386 2.008 2.723 . 0 0 "[ . 1 . 2]" 1
407 1 27 ASN QD 1 30 VAL HA . . 4.130 3.691 3.270 3.950 . 0 0 "[ . 1 . 2]" 1
408 1 27 ASN QD 1 30 VAL QG . . 3.710 2.386 1.899 3.261 . 0 0 "[ . 1 . 2]" 1
409 1 27 ASN QD 1 60 CYS H . . 4.620 4.224 3.637 4.564 . 0 0 "[ . 1 . 2]" 1
410 1 27 ASN QD 1 60 CYS HA . . 3.940 2.808 2.224 3.518 . 0 0 "[ . 1 . 2]" 1
411 1 27 ASN QD 1 60 CYS QB . . 4.520 3.853 3.034 4.216 . 0 0 "[ . 1 . 2]" 1
412 1 28 TYR H 1 28 TYR HB2 . . 3.160 2.350 2.113 2.603 . 0 0 "[ . 1 . 2]" 1
413 1 28 TYR H 1 28 TYR HB3 . . 3.190 2.499 2.371 2.592 . 0 0 "[ . 1 . 2]" 1
414 1 28 TYR H 1 29 ILE H . . 2.870 2.409 2.188 2.809 . 0 0 "[ . 1 . 2]" 1
415 1 28 TYR HA 1 28 TYR QD . . 3.130 2.805 2.416 3.069 . 0 0 "[ . 1 . 2]" 1
416 1 28 TYR HA 1 58 ASN HD22 . . 4.250 4.107 3.806 4.333 0.083 1 0 "[ . 1 . 2]" 1
417 1 28 TYR HB2 1 58 ASN HD22 . . 4.100 3.979 3.263 4.183 0.083 20 0 "[ . 1 . 2]" 1
418 1 28 TYR HB3 1 29 ILE MD . . 4.590 4.247 3.886 4.601 0.011 4 0 "[ . 1 . 2]" 1
419 1 28 TYR HB3 1 29 ILE QG . . 4.190 2.787 2.530 3.017 . 0 0 "[ . 1 . 2]" 1
420 1 28 TYR QD 1 29 ILE MD . . 3.690 2.954 2.638 3.492 . 0 0 "[ . 1 . 2]" 1
421 1 28 TYR QD 1 29 ILE QG . . 3.840 2.104 2.021 2.421 . 0 0 "[ . 1 . 2]" 1
422 1 28 TYR QD 1 54 GLN HE21 . . 4.370 3.601 3.302 4.009 . 0 0 "[ . 1 . 2]" 1
423 1 28 TYR QE 1 29 ILE MD . . 4.520 3.397 2.964 4.047 . 0 0 "[ . 1 . 2]" 1
424 1 28 TYR QE 1 29 ILE QG . . 4.670 3.828 3.683 3.912 . 0 0 "[ . 1 . 2]" 1
425 1 28 TYR QE 1 54 GLN HE21 . . 4.600 4.679 4.466 4.701 0.101 9 0 "[ . 1 . 2]" 1
426 1 29 ILE H 1 29 ILE HB . . 3.300 2.542 2.354 2.629 . 0 0 "[ . 1 . 2]" 1
427 1 29 ILE H 1 29 ILE MG . . 3.940 3.806 3.701 3.856 . 0 0 "[ . 1 . 2]" 1
428 1 29 ILE H 1 30 VAL H . . 4.130 4.146 3.926 4.211 0.081 3 0 "[ . 1 . 2]" 1
429 1 29 ILE HA 1 29 ILE MD . . 3.780 2.235 2.110 2.738 . 0 0 "[ . 1 . 2]" 1
430 1 29 ILE HA 1 29 ILE QG . . 3.340 2.834 2.710 2.967 . 0 0 "[ . 1 . 2]" 1
431 1 29 ILE HA 1 29 ILE MG . . 3.030 2.425 2.319 2.684 . 0 0 "[ . 1 . 2]" 1
432 1 29 ILE HA 1 30 VAL H . . 2.530 2.196 2.072 2.339 . 0 0 "[ . 1 . 2]" 1
433 1 29 ILE HB 1 31 ASN HD21 . . 4.540 3.757 3.450 4.215 . 0 0 "[ . 1 . 2]" 1
434 1 29 ILE QG 1 29 ILE MG . . 2.670 2.390 2.330 2.483 . 0 0 "[ . 1 . 2]" 1
435 1 29 ILE MG 1 30 VAL H . . 3.660 3.132 2.802 3.551 . 0 0 "[ . 1 . 2]" 1
436 1 29 ILE MG 1 30 VAL QG . . 5.470 3.836 3.064 4.407 . 0 0 "[ . 1 . 2]" 1
437 1 29 ILE MG 1 31 ASN HB2 . . 4.460 4.374 3.876 4.564 0.104 20 0 "[ . 1 . 2]" 1
438 1 29 ILE MG 1 31 ASN HB3 . . 4.380 2.909 2.424 3.198 . 0 0 "[ . 1 . 2]" 1
439 1 29 ILE MG 1 31 ASN HD21 . . 4.800 3.578 3.152 4.100 . 0 0 "[ . 1 . 2]" 1
440 1 30 VAL H 1 30 VAL HB . . 3.450 2.939 2.122 3.526 0.076 3 0 "[ . 1 . 2]" 1
441 1 30 VAL H 1 30 VAL QG . . 2.980 2.138 1.726 2.688 . 0 0 "[ . 1 . 2]" 1
442 1 30 VAL HA 1 30 VAL HB . . 2.930 2.803 2.539 3.013 0.083 8 0 "[ . 1 . 2]" 1
443 1 30 VAL HA 1 30 VAL QG . . 2.730 2.075 2.000 2.189 . 0 0 "[ . 1 . 2]" 1
444 1 30 VAL HA 1 31 ASN H . . 2.510 2.111 2.017 2.267 . 0 0 "[ . 1 . 2]" 1
445 1 30 VAL HA 1 31 ASN HD21 . . 4.010 3.449 3.209 3.822 . 0 0 "[ . 1 . 2]" 1
446 1 30 VAL HA 1 32 SER H . . 4.590 3.880 3.340 4.672 0.082 13 0 "[ . 1 . 2]" 1
447 1 30 VAL HB 1 31 ASN H . . 4.550 3.888 3.071 4.601 0.051 6 0 "[ . 1 . 2]" 1
448 1 30 VAL QG 1 31 ASN H . . 3.490 3.124 2.545 3.458 . 0 0 "[ . 1 . 2]" 1
449 1 30 VAL QG 1 31 ASN HA . . 5.340 3.988 3.268 4.656 . 0 0 "[ . 1 . 2]" 1
450 1 30 VAL QG 1 31 ASN HD21 . . 5.350 4.524 4.220 4.809 . 0 0 "[ . 1 . 2]" 1
451 1 31 ASN H 1 31 ASN HB2 . . 4.040 3.993 3.834 4.091 0.051 8 0 "[ . 1 . 2]" 1
452 1 31 ASN H 1 31 ASN HB3 . . 4.100 3.334 3.103 3.564 . 0 0 "[ . 1 . 2]" 1
453 1 31 ASN H 1 31 ASN HD21 . . 3.350 2.728 2.345 3.237 . 0 0 "[ . 1 . 2]" 1
454 1 31 ASN H 1 32 SER H . . 3.700 2.043 1.695 2.781 . 0 0 "[ . 1 . 2]" 1
455 1 31 ASN H 1 34 CYS H . . 5.040 4.944 4.422 5.131 0.091 18 0 "[ . 1 . 2]" 1
456 1 31 ASN H 1 34 CYS QB . . 4.470 4.336 4.055 4.420 . 0 0 "[ . 1 . 2]" 1
457 1 31 ASN HA 1 31 ASN HB2 . . 2.790 2.374 2.309 2.447 . 0 0 "[ . 1 . 2]" 1
458 1 31 ASN HA 1 31 ASN HB3 . . 2.680 2.491 2.341 2.573 . 0 0 "[ . 1 . 2]" 1
459 1 31 ASN HA 1 31 ASN HD21 . . 4.480 4.089 3.924 4.271 . 0 0 "[ . 1 . 2]" 1
460 1 31 ASN HB3 1 31 ASN HD21 . . 3.330 2.465 2.204 2.590 . 0 0 "[ . 1 . 2]" 1
461 1 31 ASN HD21 1 34 CYS QB . . 4.460 3.782 3.298 4.391 . 0 0 "[ . 1 . 2]" 1
462 1 31 ASN HD22 1 34 CYS HA . . 4.410 4.090 3.158 4.485 0.075 14 0 "[ . 1 . 2]" 1
463 1 31 ASN HD22 1 34 CYS QB . . 4.900 2.791 2.027 3.501 . 0 0 "[ . 1 . 2]" 1
464 1 32 SER H 1 32 SER QB . . 3.900 3.139 2.349 3.525 . 0 0 "[ . 1 . 2]" 1
465 1 33 SER H 1 33 SER HB2 . . 3.470 2.819 2.086 3.555 0.085 14 0 "[ . 1 . 2]" 1
466 1 33 SER H 1 33 SER HB3 . . 3.810 3.415 2.553 3.898 0.088 12 0 "[ . 1 . 2]" 1
467 1 33 SER H 1 34 CYS H . . 2.820 2.604 1.649 2.907 0.087 10 0 "[ . 1 . 2]" 1
468 1 33 SER HB2 1 34 CYS H . . 4.010 3.786 2.433 4.531 0.521 4 1 "[ +. 1 . 2]" 1
469 1 33 SER HB3 1 34 CYS H . . 4.580 3.670 2.338 4.359 . 0 0 "[ . 1 . 2]" 1
470 1 34 CYS H 1 34 CYS QB . . 2.980 2.580 2.248 2.922 . 0 0 "[ . 1 . 2]" 1
471 1 34 CYS H 1 35 GLY H . . 4.620 4.641 4.538 4.708 0.088 20 0 "[ . 1 . 2]" 1
472 1 34 CYS HA 1 35 GLY H . . 3.000 2.547 2.204 3.057 0.057 9 0 "[ . 1 . 2]" 1
473 1 34 CYS HA 1 38 CYS HB2 . . 4.330 2.851 2.378 4.041 . 0 0 "[ . 1 . 2]" 1
474 1 34 CYS HA 1 38 CYS HB3 . . 3.630 2.918 2.675 3.573 . 0 0 "[ . 1 . 2]" 1
475 1 34 CYS QB 1 35 GLY H . . 4.070 2.456 1.846 3.315 . 0 0 "[ . 1 . 2]" 1
476 1 34 CYS QB 1 55 ALA MB . . 4.570 3.673 3.333 4.136 . 0 0 "[ . 1 . 2]" 1
477 1 34 CYS QB 1 60 CYS QB . . 4.160 3.463 2.753 3.985 . 0 0 "[ . 1 . 2]" 1
478 1 35 GLY H 1 35 GLY HA2 . . 2.950 2.424 2.278 2.595 . 0 0 "[ . 1 . 2]" 1
479 1 35 GLY H 1 36 GLU H . . 4.480 4.482 4.354 4.566 0.086 20 0 "[ . 1 . 2]" 1
480 1 35 GLY H 1 38 CYS HB2 . . 4.460 4.167 3.172 4.529 0.069 18 0 "[ . 1 . 2]" 1
481 1 35 GLY H 1 38 CYS HB3 . . 3.710 3.590 2.953 3.788 0.078 8 0 "[ . 1 . 2]" 1
482 1 35 GLY H 1 55 ALA MB . . 4.200 2.818 2.380 3.362 . 0 0 "[ . 1 . 2]" 1
483 1 35 GLY H 1 63 TRP HA . . 4.350 4.384 4.039 4.436 0.086 1 0 "[ . 1 . 2]" 1
484 1 35 GLY HA2 1 36 GLU H . . 3.110 2.726 2.632 2.832 . 0 0 "[ . 1 . 2]" 1
485 1 35 GLY HA2 1 55 ALA MB . . 3.510 2.395 2.086 2.547 . 0 0 "[ . 1 . 2]" 1
486 1 35 GLY HA2 1 63 TRP HA . . 2.990 2.134 1.915 2.369 . 0 0 "[ . 1 . 2]" 1
487 1 35 GLY HA3 1 36 GLU H . . 2.950 2.502 2.385 2.636 . 0 0 "[ . 1 . 2]" 1
488 1 35 GLY HA3 1 37 ILE H . . 3.940 3.586 3.257 3.880 . 0 0 "[ . 1 . 2]" 1
489 1 35 GLY HA3 1 55 ALA MB . . 3.870 3.871 3.627 3.966 0.096 2 0 "[ . 1 . 2]" 1
490 1 35 GLY HA3 1 63 TRP HA . . 2.890 2.814 2.522 2.966 0.076 1 0 "[ . 1 . 2]" 1
491 1 36 GLU H 1 36 GLU HB2 . . 3.580 3.591 3.456 3.643 0.063 19 0 "[ . 1 . 2]" 1
492 1 36 GLU H 1 36 GLU HB3 . . 2.970 2.418 2.285 2.564 . 0 0 "[ . 1 . 2]" 1
493 1 36 GLU H 1 36 GLU QG . . 4.470 2.468 2.213 3.370 . 0 0 "[ . 1 . 2]" 1
494 1 36 GLU H 1 37 ILE HB . . 4.690 4.738 4.550 4.770 0.080 10 0 "[ . 1 . 2]" 1
495 1 36 GLU H 1 52 ARG HE . . 4.290 4.358 4.169 4.390 0.100 20 0 "[ . 1 . 2]" 1
496 1 36 GLU H 1 55 ALA MB . . 4.310 4.077 3.749 4.370 0.060 11 0 "[ . 1 . 2]" 1
497 1 36 GLU H 1 63 TRP HA . . 3.510 3.289 2.932 3.588 0.078 2 0 "[ . 1 . 2]" 1
498 1 36 GLU HA 1 36 GLU QG . . 3.610 3.399 3.339 3.522 . 0 0 "[ . 1 . 2]" 1
499 1 36 GLU HA 1 39 CYS H . . 4.340 3.447 3.127 4.030 . 0 0 "[ . 1 . 2]" 1
500 1 36 GLU HA 1 52 ARG HA . . 3.810 3.664 3.353 3.875 0.065 17 0 "[ . 1 . 2]" 1
501 1 36 GLU HA 1 52 ARG HB3 . . 4.440 4.517 4.464 4.534 0.094 11 0 "[ . 1 . 2]" 1
502 1 36 GLU HA 1 52 ARG HE . . 3.930 3.576 3.146 3.968 0.038 12 0 "[ . 1 . 2]" 1
503 1 36 GLU HA 1 52 ARG HG2 . . 3.730 2.304 2.199 2.622 . 0 0 "[ . 1 . 2]" 1
504 1 36 GLU HB2 1 40 ASN HD21 . . 4.250 4.146 3.898 4.323 0.073 19 0 "[ . 1 . 2]" 1
505 1 36 GLU HB2 1 40 ASN HD22 . . 4.270 4.048 3.218 4.346 0.076 17 0 "[ . 1 . 2]" 1
506 1 36 GLU HB2 1 48 THR MG . . 4.330 3.421 2.910 4.026 . 0 0 "[ . 1 . 2]" 1
507 1 36 GLU HB2 1 52 ARG QD . . 4.120 2.691 2.296 3.799 . 0 0 "[ . 1 . 2]" 1
508 1 36 GLU HB3 1 37 ILE H . . 3.900 3.952 3.765 3.988 0.088 15 0 "[ . 1 . 2]" 1
509 1 36 GLU HB3 1 52 ARG HE . . 3.980 2.078 1.919 2.571 . 0 0 "[ . 1 . 2]" 1
510 1 36 GLU QG 1 37 ILE HA . . 4.530 3.397 2.900 3.789 . 0 0 "[ . 1 . 2]" 1
511 1 36 GLU QG 1 40 ASN HD22 . . 4.470 4.497 4.122 4.563 0.093 10 0 "[ . 1 . 2]" 1
512 1 37 ILE H 1 37 ILE HB . . 2.740 2.410 2.325 2.560 . 0 0 "[ . 1 . 2]" 1
513 1 37 ILE H 1 37 ILE MD . . 4.270 3.222 1.706 3.805 . 0 0 "[ . 1 . 2]" 1
514 1 37 ILE H 1 37 ILE HG12 . . 3.210 3.350 3.090 3.581 0.371 19 0 "[ . 1 . 2]" 1
515 1 37 ILE H 1 37 ILE HG13 . . 3.490 2.185 1.944 2.520 . 0 0 "[ . 1 . 2]" 1
516 1 37 ILE H 1 37 ILE MG . . 4.170 3.759 3.701 3.819 . 0 0 "[ . 1 . 2]" 1
517 1 37 ILE H 1 38 CYS H . . 3.240 2.919 2.635 3.242 0.002 14 0 "[ . 1 . 2]" 1
518 1 37 ILE H 1 39 CYS H . . 4.300 4.201 4.056 4.374 0.074 19 0 "[ . 1 . 2]" 1
519 1 37 ILE HA 1 37 ILE MD . . 3.560 3.650 3.517 3.682 0.122 16 0 "[ . 1 . 2]" 1
520 1 37 ILE HA 1 37 ILE HG12 . . 3.380 2.479 2.221 3.316 . 0 0 "[ . 1 . 2]" 1
521 1 37 ILE HA 1 37 ILE HG13 . . 3.230 2.808 2.246 3.116 . 0 0 "[ . 1 . 2]" 1
522 1 37 ILE HA 1 37 ILE MG . . 2.840 2.481 2.345 2.583 . 0 0 "[ . 1 . 2]" 1
523 1 37 ILE HA 1 40 ASN H . . 3.770 3.421 3.152 3.618 . 0 0 "[ . 1 . 2]" 1
524 1 37 ILE HA 1 40 ASN HB2 . . 3.610 2.331 2.091 2.652 . 0 0 "[ . 1 . 2]" 1
525 1 37 ILE HA 1 40 ASN HB3 . . 3.570 3.641 3.616 3.653 0.083 5 0 "[ . 1 . 2]" 1
526 1 37 ILE HA 1 41 ASP H . . 4.470 4.186 3.796 4.530 0.060 11 0 "[ . 1 . 2]" 1
527 1 37 ILE HB 1 37 ILE MD . . 3.440 2.430 2.201 2.604 . 0 0 "[ . 1 . 2]" 1
528 1 37 ILE HB 1 38 CYS H . . 3.040 2.567 2.145 2.915 . 0 0 "[ . 1 . 2]" 1
529 1 37 ILE HB 1 38 CYS HB2 . . 4.370 4.157 3.837 4.435 0.065 5 0 "[ . 1 . 2]" 1
530 1 37 ILE MD 1 37 ILE MG . . 3.100 2.260 2.036 3.115 0.015 15 0 "[ . 1 . 2]" 1
531 1 37 ILE HG13 1 37 ILE MG . . 3.640 3.202 2.830 3.313 . 0 0 "[ . 1 . 2]" 1
532 1 37 ILE MG 1 38 CYS H . . 3.970 3.211 2.728 3.537 . 0 0 "[ . 1 . 2]" 1
533 1 37 ILE MG 1 38 CYS HA . . 4.310 3.247 2.955 3.630 . 0 0 "[ . 1 . 2]" 1
534 1 37 ILE MG 1 40 ASN HB2 . . 4.560 3.890 3.518 4.455 . 0 0 "[ . 1 . 2]" 1
535 1 37 ILE MG 1 41 ASP H . . 4.660 4.138 3.776 4.543 . 0 0 "[ . 1 . 2]" 1
536 1 37 ILE MG 1 41 ASP QB . . 4.570 3.506 3.244 3.921 . 0 0 "[ . 1 . 2]" 1
537 1 38 CYS H 1 38 CYS HB2 . . 2.860 2.324 2.102 2.471 . 0 0 "[ . 1 . 2]" 1
538 1 38 CYS H 1 38 CYS HB3 . . 3.010 2.698 2.517 3.066 0.056 6 0 "[ . 1 . 2]" 1
539 1 38 CYS H 1 39 CYS H . . 3.060 2.679 2.482 2.808 . 0 0 "[ . 1 . 2]" 1
540 1 38 CYS H 1 40 ASN H . . 4.400 4.213 4.044 4.428 0.028 12 0 "[ . 1 . 2]" 1
541 1 38 CYS H 1 41 ASP H . . 4.680 4.685 4.545 4.752 0.072 14 0 "[ . 1 . 2]" 1
542 1 38 CYS HA 1 41 ASP H . . 4.050 3.243 3.015 3.523 . 0 0 "[ . 1 . 2]" 1
543 1 38 CYS HA 1 41 ASP QB . . 3.910 2.485 2.242 2.737 . 0 0 "[ . 1 . 2]" 1
544 1 38 CYS HB2 1 39 CYS H . . 3.850 3.838 3.531 3.924 0.074 8 0 "[ . 1 . 2]" 1
545 1 38 CYS HB3 1 39 CYS H . . 2.920 2.784 2.645 2.965 0.045 4 0 "[ . 1 . 2]" 1
546 1 39 CYS H 1 39 CYS HB2 . . 3.020 2.626 2.437 2.735 . 0 0 "[ . 1 . 2]" 1
547 1 39 CYS H 1 39 CYS HB3 . . 3.470 3.512 2.863 3.556 0.086 19 0 "[ . 1 . 2]" 1
548 1 39 CYS H 1 40 ASN H . . 3.090 2.775 2.563 2.859 . 0 0 "[ . 1 . 2]" 1
549 1 39 CYS H 1 40 ASN HA . . 5.480 5.375 5.219 5.455 . 0 0 "[ . 1 . 2]" 1
550 1 39 CYS H 1 41 ASP H . . 4.590 4.040 3.874 4.252 . 0 0 "[ . 1 . 2]" 1
551 1 39 CYS HA 1 43 PHE HB2 . . 3.270 3.345 3.321 3.358 0.088 16 0 "[ . 1 . 2]" 1
552 1 39 CYS HA 1 43 PHE QD . . 2.720 2.254 2.087 2.551 . 0 0 "[ . 1 . 2]" 1
553 1 39 CYS HB2 1 48 THR HA . . 4.010 3.705 3.303 3.934 . 0 0 "[ . 1 . 2]" 1
554 1 39 CYS HB2 1 48 THR MG . . 4.200 2.271 2.037 3.203 . 0 0 "[ . 1 . 2]" 1
555 1 39 CYS HB2 1 52 ARG HG2 . . 4.160 3.645 3.022 4.235 0.075 17 0 "[ . 1 . 2]" 1
556 1 39 CYS HB3 1 40 ASN H . . 3.650 3.523 2.683 3.692 0.042 9 0 "[ . 1 . 2]" 1
557 1 39 CYS HB3 1 40 ASN HD21 . . 4.450 4.001 3.349 4.444 . 0 0 "[ . 1 . 2]" 1
558 1 39 CYS HB3 1 48 THR HA . . 3.320 2.349 2.072 3.199 . 0 0 "[ . 1 . 2]" 1
559 1 39 CYS HB3 1 48 THR MG . . 2.990 2.505 2.042 2.970 . 0 0 "[ . 1 . 2]" 1
560 1 39 CYS HB3 1 51 CYS QB . . 3.970 2.472 2.188 3.568 . 0 0 "[ . 1 . 2]" 1
561 1 39 CYS HB3 1 52 ARG H . . 4.700 4.139 3.782 4.772 0.072 17 0 "[ . 1 . 2]" 1
562 1 39 CYS HB3 1 52 ARG HG2 . . 4.580 4.342 3.770 4.649 0.069 10 0 "[ . 1 . 2]" 1
563 1 40 ASN H 1 40 ASN HB2 . . 2.860 2.121 2.052 2.325 . 0 0 "[ . 1 . 2]" 1
564 1 40 ASN H 1 40 ASN HB3 . . 3.340 3.395 3.309 3.422 0.082 19 0 "[ . 1 . 2]" 1
565 1 40 ASN H 1 40 ASN HD21 . . 4.010 2.648 2.440 2.932 . 0 0 "[ . 1 . 2]" 1
566 1 40 ASN H 1 40 ASN HD22 . . 4.760 4.129 3.719 4.479 . 0 0 "[ . 1 . 2]" 1
567 1 40 ASN H 1 41 ASP H . . 3.230 2.767 2.657 2.875 . 0 0 "[ . 1 . 2]" 1
568 1 40 ASN H 1 48 THR MG . . 4.160 3.454 3.202 3.728 . 0 0 "[ . 1 . 2]" 1
569 1 40 ASN HA 1 40 ASN HB3 . . 2.930 2.764 2.522 2.878 . 0 0 "[ . 1 . 2]" 1
570 1 40 ASN HA 1 48 THR MG . . 3.410 3.485 3.328 3.525 0.115 10 0 "[ . 1 . 2]" 1
571 1 40 ASN HB2 1 40 ASN HD21 . . 3.440 2.981 2.725 3.495 0.055 19 0 "[ . 1 . 2]" 1
572 1 40 ASN HB2 1 40 ASN HD22 . . 4.130 3.750 3.600 4.027 . 0 0 "[ . 1 . 2]" 1
573 1 40 ASN HB2 1 41 ASP H . . 3.450 3.073 2.441 3.451 0.001 11 0 "[ . 1 . 2]" 1
574 1 40 ASN HB3 1 40 ASN HD21 . . 3.670 3.593 3.358 3.643 . 0 0 "[ . 1 . 2]" 1
575 1 40 ASN HB3 1 48 THR MG . . 5.100 4.961 4.688 5.061 . 0 0 "[ . 1 . 2]" 1
576 1 40 ASN HD21 1 48 THR HA . . 4.740 4.783 4.578 4.829 0.089 18 0 "[ . 1 . 2]" 1
577 1 40 ASN HD21 1 48 THR HB . . 3.640 3.649 3.087 3.721 0.081 4 0 "[ . 1 . 2]" 1
578 1 40 ASN HD21 1 48 THR MG . . 4.800 1.893 1.641 1.999 . 0 0 "[ . 1 . 2]" 1
579 1 40 ASN HD22 1 48 THR MG . . 4.410 2.293 2.055 2.674 . 0 0 "[ . 1 . 2]" 1
580 1 40 ASN HD22 1 52 ARG QD . . 4.980 3.699 2.469 5.019 0.039 18 0 "[ . 1 . 2]" 1
581 1 41 ASP H 1 41 ASP QB . . 2.980 2.253 2.087 2.456 . 0 0 "[ . 1 . 2]" 1
582 1 41 ASP H 1 42 CYS H . . 3.180 2.605 2.178 2.901 . 0 0 "[ . 1 . 2]" 1
583 1 41 ASP QB 1 42 CYS H . . 3.960 3.276 2.806 3.682 . 0 0 "[ . 1 . 2]" 1
584 1 42 CYS H 1 42 CYS HB2 . . 3.250 2.589 2.260 2.823 . 0 0 "[ . 1 . 2]" 1
585 1 42 CYS H 1 42 CYS HB3 . . 3.830 3.630 3.262 3.868 0.038 5 0 "[ . 1 . 2]" 1
586 1 42 CYS H 1 43 PHE H . . 3.220 2.119 1.847 2.512 . 0 0 "[ . 1 . 2]" 1
587 1 42 CYS H 1 43 PHE QD . . 4.410 3.792 3.398 4.443 0.033 3 0 "[ . 1 . 2]" 1
588 1 42 CYS HB2 1 43 PHE H . . 3.770 3.144 2.481 3.749 . 0 0 "[ . 1 . 2]" 1
589 1 42 CYS HB2 1 43 PHE QD . . 3.870 2.736 2.214 3.757 . 0 0 "[ . 1 . 2]" 1
590 1 42 CYS HB2 1 43 PHE QE . . 4.540 3.588 2.954 4.382 . 0 0 "[ . 1 . 2]" 1
591 1 42 CYS HB3 1 43 PHE H . . 4.660 3.781 3.133 4.310 . 0 0 "[ . 1 . 2]" 1
592 1 42 CYS HB3 1 43 PHE QD . . 4.190 3.559 2.720 4.214 0.024 3 0 "[ . 1 . 2]" 1
593 1 42 CYS HB3 1 43 PHE QE . . 4.480 3.868 3.303 4.559 0.079 3 0 "[ . 1 . 2]" 1
594 1 43 PHE H 1 43 PHE HB2 . . 3.320 2.495 2.323 2.639 . 0 0 "[ . 1 . 2]" 1
595 1 43 PHE H 1 43 PHE HB3 . . 3.820 3.658 3.550 3.739 . 0 0 "[ . 1 . 2]" 1
596 1 43 PHE H 1 43 PHE QD . . 3.780 3.078 2.607 3.453 . 0 0 "[ . 1 . 2]" 1
597 1 43 PHE HA 1 43 PHE QD . . 3.380 2.862 2.536 3.094 . 0 0 "[ . 1 . 2]" 1
598 1 43 PHE HA 1 43 PHE QE . . 4.700 4.634 4.374 4.792 0.092 1 0 "[ . 1 . 2]" 1
599 1 43 PHE HA 1 44 ASP H . . 2.940 2.275 2.113 2.423 . 0 0 "[ . 1 . 2]" 1
600 1 43 PHE HB2 1 44 ASP H . . 3.950 3.967 3.699 4.038 0.088 5 0 "[ . 1 . 2]" 1
601 1 43 PHE HB3 1 44 ASP H . . 3.260 2.828 2.441 3.041 . 0 0 "[ . 1 . 2]" 1
602 1 43 PHE HB3 1 47 GLY H . . 4.680 3.898 3.369 4.234 . 0 0 "[ . 1 . 2]" 1
603 1 43 PHE HB3 1 47 GLY HA3 . . 3.840 2.652 2.286 3.260 . 0 0 "[ . 1 . 2]" 1
604 1 43 PHE QD 1 44 ASP H . . 4.000 3.738 3.258 4.054 0.054 2 0 "[ . 1 . 2]" 1
605 1 43 PHE QD 1 47 GLY HA2 . . 4.580 4.353 3.893 4.659 0.079 18 0 "[ . 1 . 2]" 1
606 1 43 PHE QD 1 47 GLY HA3 . . 3.800 3.035 2.656 3.538 . 0 0 "[ . 1 . 2]" 1
607 1 44 ASP H 1 44 ASP HB2 . . 3.580 2.841 1.967 3.724 0.144 17 0 "[ . 1 . 2]" 1
608 1 44 ASP H 1 44 ASP HB3 . . 3.980 3.071 2.308 3.735 . 0 0 "[ . 1 . 2]" 1
609 1 44 ASP H 1 47 GLY H . . 4.400 3.915 3.359 4.466 0.066 18 0 "[ . 1 . 2]" 1
610 1 44 ASP HA 1 45 GLU H . . 3.040 2.473 2.313 2.700 . 0 0 "[ . 1 . 2]" 1
611 1 44 ASP HB2 1 45 GLU H . . 3.680 3.102 1.823 3.770 0.090 18 0 "[ . 1 . 2]" 1
612 1 44 ASP HB2 1 46 THR H . . 4.140 3.458 2.300 4.227 0.087 3 0 "[ . 1 . 2]" 1
613 1 44 ASP HB3 1 45 GLU H . . 3.070 2.925 1.934 3.765 0.695 7 4 "[ .-+ 1 * . *]" 1
614 1 44 ASP HB3 1 47 GLY H . . 4.720 3.796 2.238 5.306 0.586 8 1 "[ . + 1 . 2]" 1
615 1 45 GLU H 1 45 GLU HB2 . . 3.260 2.446 2.066 3.556 0.296 18 0 "[ . 1 . 2]" 1
616 1 45 GLU H 1 45 GLU HB3 . . 3.470 2.987 2.342 3.549 0.079 9 0 "[ . 1 . 2]" 1
617 1 45 GLU H 1 45 GLU QG . . 4.560 3.283 2.049 4.043 . 0 0 "[ . 1 . 2]" 1
618 1 45 GLU H 1 46 THR H . . 3.650 2.749 2.579 3.009 . 0 0 "[ . 1 . 2]" 1
619 1 45 GLU H 1 47 GLY H . . 4.580 4.513 4.211 4.658 0.078 1 0 "[ . 1 . 2]" 1
620 1 45 GLU HA 1 45 GLU HB2 . . 2.920 2.690 2.304 3.001 0.081 8 0 "[ . 1 . 2]" 1
621 1 45 GLU HA 1 45 GLU HB3 . . 2.930 2.802 2.409 3.008 0.078 10 0 "[ . 1 . 2]" 1
622 1 45 GLU HA 1 45 GLU QG . . 3.530 2.435 2.069 3.407 . 0 0 "[ . 1 . 2]" 1
623 1 45 GLU HA 1 48 THR H . . 3.860 3.622 3.150 3.928 0.068 18 0 "[ . 1 . 2]" 1
624 1 45 GLU HA 1 48 THR HB . . 2.740 2.260 1.912 2.634 . 0 0 "[ . 1 . 2]" 1
625 1 45 GLU HA 1 48 THR MG . . 3.640 3.223 2.575 3.730 0.090 11 0 "[ . 1 . 2]" 1
626 1 45 GLU HB2 1 46 THR H . . 3.960 3.514 2.385 4.157 0.197 6 0 "[ . 1 . 2]" 1
627 1 45 GLU HB3 1 46 THR H . . 4.260 3.214 2.523 4.037 . 0 0 "[ . 1 . 2]" 1
628 1 46 THR H 1 46 THR HB . . 3.170 2.458 2.267 2.620 . 0 0 "[ . 1 . 2]" 1
629 1 46 THR H 1 46 THR MG . . 4.210 3.752 3.691 3.880 . 0 0 "[ . 1 . 2]" 1
630 1 46 THR H 1 47 GLY H . . 3.140 2.668 2.361 2.889 . 0 0 "[ . 1 . 2]" 1
631 1 46 THR H 1 47 GLY HA3 . . 5.220 4.875 4.439 5.132 . 0 0 "[ . 1 . 2]" 1
632 1 46 THR HA 1 46 THR HB . . 3.010 3.039 3.026 3.058 0.048 10 0 "[ . 1 . 2]" 1
633 1 46 THR HA 1 46 THR MG . . 2.850 2.419 2.292 2.590 . 0 0 "[ . 1 . 2]" 1
634 1 46 THR HB 1 47 GLY H . . 3.290 2.564 2.355 2.752 . 0 0 "[ . 1 . 2]" 1
635 1 46 THR MG 1 47 GLY H . . 4.610 3.429 3.062 3.680 . 0 0 "[ . 1 . 2]" 1
636 1 46 THR MG 1 47 GLY HA2 . . 4.510 3.791 3.445 4.139 . 0 0 "[ . 1 . 2]" 1
637 1 47 GLY H 1 48 THR H . . 3.080 2.657 2.484 2.906 . 0 0 "[ . 1 . 2]" 1
638 1 47 GLY HA2 1 50 ALA H . . 4.220 3.961 3.560 4.285 0.065 20 0 "[ . 1 . 2]" 1
639 1 47 GLY HA2 1 50 ALA MB . . 3.930 3.557 3.036 4.017 0.087 20 0 "[ . 1 . 2]" 1
640 1 48 THR H 1 48 THR HB . . 2.730 2.320 2.143 2.615 . 0 0 "[ . 1 . 2]" 1
641 1 48 THR H 1 48 THR MG . . 3.770 3.707 3.628 3.806 0.036 8 0 "[ . 1 . 2]" 1
642 1 48 THR H 1 49 GLY H . . 3.330 3.059 2.879 3.153 . 0 0 "[ . 1 . 2]" 1
643 1 48 THR HA 1 48 THR MG . . 3.200 2.672 2.282 2.871 . 0 0 "[ . 1 . 2]" 1
644 1 48 THR HA 1 50 ALA H . . 4.620 4.139 3.651 4.532 . 0 0 "[ . 1 . 2]" 1
645 1 48 THR HA 1 50 ALA MB . . 4.610 4.716 4.704 4.738 0.128 20 0 "[ . 1 . 2]" 1
646 1 48 THR HA 1 51 CYS H . . 3.820 3.175 2.937 3.281 . 0 0 "[ . 1 . 2]" 1
647 1 48 THR HA 1 51 CYS QB . . 3.350 2.300 2.062 2.712 . 0 0 "[ . 1 . 2]" 1
648 1 48 THR HA 1 52 ARG H . . 4.060 3.571 3.406 3.750 . 0 0 "[ . 1 . 2]" 1
649 1 48 THR HB 1 49 GLY H . . 3.480 2.925 2.768 3.058 . 0 0 "[ . 1 . 2]" 1
650 1 48 THR MG 1 49 GLY H . . 4.140 3.190 2.885 3.534 . 0 0 "[ . 1 . 2]" 1
651 1 48 THR MG 1 49 GLY HA2 . . 4.360 3.087 2.761 3.746 . 0 0 "[ . 1 . 2]" 1
652 1 48 THR MG 1 49 GLY HA3 . . 4.710 4.164 3.738 4.750 0.040 11 0 "[ . 1 . 2]" 1
653 1 48 THR MG 1 52 ARG H . . 5.110 3.553 3.311 3.730 . 0 0 "[ . 1 . 2]" 1
654 1 48 THR MG 1 52 ARG HB3 . . 4.290 4.390 4.360 4.403 0.113 10 0 "[ . 1 . 2]" 1
655 1 48 THR MG 1 52 ARG QD . . 4.220 2.052 1.933 2.476 . 0 0 "[ . 1 . 2]" 1
656 1 48 THR MG 1 52 ARG HG2 . . 3.920 2.960 2.363 3.229 . 0 0 "[ . 1 . 2]" 1
657 1 49 GLY H 1 50 ALA H . . 3.270 2.946 2.814 3.104 . 0 0 "[ . 1 . 2]" 1
658 1 49 GLY HA2 1 52 ARG H . . 4.380 3.686 3.497 4.000 . 0 0 "[ . 1 . 2]" 1
659 1 49 GLY HA2 1 52 ARG HG2 . . 4.850 4.913 4.815 4.929 0.079 10 0 "[ . 1 . 2]" 1
660 1 49 GLY HA2 1 52 ARG HG3 . . 4.970 3.477 3.059 3.614 . 0 0 "[ . 1 . 2]" 1
661 1 49 GLY HA3 1 50 ALA H . . 3.500 2.997 2.829 3.346 . 0 0 "[ . 1 . 2]" 1
662 1 50 ALA H 1 50 ALA MB . . 3.010 2.193 2.085 2.316 . 0 0 "[ . 1 . 2]" 1
663 1 50 ALA H 1 51 CYS H . . 2.980 2.462 2.103 2.760 . 0 0 "[ . 1 . 2]" 1
664 1 50 ALA H 1 52 ARG H . . 4.530 3.855 3.442 4.063 . 0 0 "[ . 1 . 2]" 1
665 1 50 ALA HA 1 52 ARG H . . 4.740 4.395 4.118 4.518 . 0 0 "[ . 1 . 2]" 1
666 1 50 ALA HA 1 53 ALA H . . 3.680 3.477 3.080 3.685 0.005 2 0 "[ . 1 . 2]" 1
667 1 50 ALA HA 1 53 ALA MB . . 3.180 3.107 2.694 3.257 0.077 6 0 "[ . 1 . 2]" 1
668 1 50 ALA HA 1 54 GLN H . . 4.440 4.499 4.245 4.530 0.090 8 0 "[ . 1 . 2]" 1
669 1 50 ALA MB 1 51 CYS H . . 3.430 2.363 2.270 2.494 . 0 0 "[ . 1 . 2]" 1
670 1 50 ALA MB 1 51 CYS HA . . 4.080 3.697 3.589 3.762 . 0 0 "[ . 1 . 2]" 1
671 1 50 ALA MB 1 52 ARG H . . 5.020 4.343 4.274 4.410 . 0 0 "[ . 1 . 2]" 1
672 1 50 ALA MB 1 54 GLN HB2 . . 4.840 4.864 4.721 4.943 0.103 7 0 "[ . 1 . 2]" 1
673 1 51 CYS H 1 51 CYS HA . . 2.740 2.815 2.808 2.819 0.079 15 0 "[ . 1 . 2]" 1
674 1 51 CYS H 1 51 CYS QB . . 3.000 2.088 2.025 2.177 . 0 0 "[ . 1 . 2]" 1
675 1 51 CYS H 1 52 ARG H . . 3.070 2.567 2.502 2.620 . 0 0 "[ . 1 . 2]" 1
676 1 51 CYS H 1 52 ARG HA . . 5.080 5.161 5.156 5.167 0.087 17 0 "[ . 1 . 2]" 1
677 1 51 CYS H 1 53 ALA H . . 4.530 4.254 4.063 4.434 . 0 0 "[ . 1 . 2]" 1
678 1 51 CYS HA 1 51 CYS QB . . 2.400 2.396 2.360 2.435 0.035 14 0 "[ . 1 . 2]" 1
679 1 51 CYS HA 1 52 ARG H . . 3.520 3.564 3.543 3.586 0.066 17 0 "[ . 1 . 2]" 1
680 1 51 CYS HA 1 54 GLN HB2 . . 4.170 3.379 3.099 3.596 . 0 0 "[ . 1 . 2]" 1
681 1 51 CYS HA 1 54 GLN HB3 . . 4.210 2.894 2.745 3.042 . 0 0 "[ . 1 . 2]" 1
682 1 51 CYS QB 1 52 ARG H . . 3.800 2.702 2.476 2.968 . 0 0 "[ . 1 . 2]" 1
683 1 52 ARG H 1 52 ARG HB2 . . 3.210 2.555 2.456 2.754 . 0 0 "[ . 1 . 2]" 1
684 1 52 ARG H 1 52 ARG HB3 . . 3.560 3.626 3.606 3.642 0.082 11 0 "[ . 1 . 2]" 1
685 1 52 ARG H 1 52 ARG QD . . 4.590 3.949 3.763 4.184 . 0 0 "[ . 1 . 2]" 1
686 1 52 ARG H 1 52 ARG HG2 . . 3.760 3.532 3.203 3.664 . 0 0 "[ . 1 . 2]" 1
687 1 52 ARG H 1 52 ARG HG3 . . 3.860 2.429 2.263 2.539 . 0 0 "[ . 1 . 2]" 1
688 1 52 ARG H 1 53 ALA H . . 3.080 2.855 2.744 2.971 . 0 0 "[ . 1 . 2]" 1
689 1 52 ARG H 1 55 ALA MB . . 5.100 4.727 4.360 5.196 0.096 4 0 "[ . 1 . 2]" 1
690 1 52 ARG HA 1 52 ARG QD . . 4.080 4.135 3.912 4.169 0.089 11 0 "[ . 1 . 2]" 1
691 1 52 ARG HA 1 52 ARG HE . . 4.240 4.178 3.605 4.330 0.090 20 0 "[ . 1 . 2]" 1
692 1 52 ARG HA 1 52 ARG HG2 . . 3.440 2.405 2.307 2.511 . 0 0 "[ . 1 . 2]" 1
693 1 52 ARG HA 1 52 ARG HG3 . . 3.590 2.973 2.826 3.373 . 0 0 "[ . 1 . 2]" 1
694 1 52 ARG HA 1 55 ALA H . . 4.130 3.161 2.971 3.401 . 0 0 "[ . 1 . 2]" 1
695 1 52 ARG HA 1 55 ALA MB . . 3.590 2.567 2.234 3.045 . 0 0 "[ . 1 . 2]" 1
696 1 52 ARG HA 1 56 PHE H . . 4.590 4.043 3.543 4.446 . 0 0 "[ . 1 . 2]" 1
697 1 52 ARG HA 1 63 TRP HE3 . . 3.880 3.407 3.265 3.656 . 0 0 "[ . 1 . 2]" 1
698 1 52 ARG HB2 1 52 ARG HE . . 4.220 3.929 3.490 4.296 0.076 20 0 "[ . 1 . 2]" 1
699 1 52 ARG HB2 1 53 ALA H . . 3.510 2.703 2.574 2.808 . 0 0 "[ . 1 . 2]" 1
700 1 52 ARG HB2 1 63 TRP HE3 . . 4.150 3.849 3.571 4.014 . 0 0 "[ . 1 . 2]" 1
701 1 52 ARG HB2 1 63 TRP HZ3 . . 4.590 3.225 2.950 3.368 . 0 0 "[ . 1 . 2]" 1
702 1 52 ARG HB3 1 52 ARG QD . . 3.540 2.836 2.202 2.980 . 0 0 "[ . 1 . 2]" 1
703 1 52 ARG HB3 1 52 ARG HE . . 4.040 2.805 2.174 3.432 . 0 0 "[ . 1 . 2]" 1
704 1 52 ARG HB3 1 56 PHE HB2 . . 3.210 3.305 3.288 3.314 0.104 11 0 "[ . 1 . 2]" 1
705 1 52 ARG HB3 1 63 TRP HE3 . . 4.170 2.095 1.945 2.238 . 0 0 "[ . 1 . 2]" 1
706 1 52 ARG QD 1 63 TRP HZ3 . . 4.070 3.379 2.162 3.701 . 0 0 "[ . 1 . 2]" 1
707 1 52 ARG HE 1 52 ARG HG2 . . 3.530 2.415 2.119 2.578 . 0 0 "[ . 1 . 2]" 1
708 1 52 ARG HE 1 52 ARG HG3 . . 3.600 3.598 3.277 3.665 0.065 10 0 "[ . 1 . 2]" 1
709 1 52 ARG HE 1 63 TRP HE3 . . 3.940 2.785 2.260 3.544 . 0 0 "[ . 1 . 2]" 1
710 1 52 ARG HG2 1 55 ALA MB . . 4.620 4.104 3.797 4.697 0.077 11 0 "[ . 1 . 2]" 1
711 1 52 ARG HG2 1 63 TRP HE3 . . 4.550 3.456 3.185 4.072 . 0 0 "[ . 1 . 2]" 1
712 1 52 ARG HG3 1 53 ALA H . . 4.460 4.521 4.382 4.540 0.080 5 0 "[ . 1 . 2]" 1
713 1 52 ARG HG3 1 63 TRP HZ3 . . 4.860 4.884 4.652 4.939 0.079 9 0 "[ . 1 . 2]" 1
714 1 53 ALA H 1 53 ALA MB . . 2.880 2.313 2.202 2.374 . 0 0 "[ . 1 . 2]" 1
715 1 53 ALA H 1 54 GLN H . . 4.280 2.822 2.641 2.926 . 0 0 "[ . 1 . 2]" 1
716 1 53 ALA H 1 55 ALA H . . 4.340 4.007 3.763 4.254 . 0 0 "[ . 1 . 2]" 1
717 1 53 ALA HA 1 56 PHE H . . 3.580 3.406 3.066 3.665 0.085 4 0 "[ . 1 . 2]" 1
718 1 53 ALA HA 1 56 PHE HB2 . . 3.300 3.277 2.963 3.373 0.073 20 0 "[ . 1 . 2]" 1
719 1 53 ALA HA 1 56 PHE HB3 . . 3.600 2.365 2.198 2.583 . 0 0 "[ . 1 . 2]" 1
720 1 53 ALA HA 1 56 PHE QD . . 4.250 3.334 2.823 3.660 . 0 0 "[ . 1 . 2]" 1
721 1 53 ALA HA 1 57 GLY H . . 3.650 3.316 2.946 3.585 . 0 0 "[ . 1 . 2]" 1
722 1 53 ALA MB 1 54 GLN H . . 3.520 2.414 2.259 2.564 . 0 0 "[ . 1 . 2]" 1
723 1 53 ALA MB 1 56 PHE QD . . 4.840 4.291 3.803 4.614 . 0 0 "[ . 1 . 2]" 1
724 1 53 ALA MB 1 57 GLY H . . 5.270 4.219 3.968 4.493 . 0 0 "[ . 1 . 2]" 1
725 1 53 ALA MB 1 58 ASN HB2 . . 4.830 4.928 4.908 4.940 0.110 10 0 "[ . 1 . 2]" 1
726 1 54 GLN H 1 54 GLN HB2 . . 3.160 2.284 2.190 2.357 . 0 0 "[ . 1 . 2]" 1
727 1 54 GLN H 1 54 GLN HB3 . . 3.630 2.692 2.534 2.858 . 0 0 "[ . 1 . 2]" 1
728 1 54 GLN H 1 54 GLN QG . . 4.060 4.064 4.030 4.091 0.031 1 0 "[ . 1 . 2]" 1
729 1 54 GLN H 1 55 ALA H . . 2.930 2.869 2.741 2.990 0.060 11 0 "[ . 1 . 2]" 1
730 1 54 GLN H 1 56 PHE H . . 4.640 4.295 4.060 4.699 0.059 20 0 "[ . 1 . 2]" 1
731 1 54 GLN HA 1 54 GLN HE21 . . 4.690 4.249 3.400 4.516 . 0 0 "[ . 1 . 2]" 1
732 1 54 GLN HA 1 54 GLN QG . . 3.230 2.698 2.574 2.842 . 0 0 "[ . 1 . 2]" 1
733 1 54 GLN HB2 1 55 ALA H . . 4.210 4.238 4.151 4.279 0.069 1 0 "[ . 1 . 2]" 1
734 1 54 GLN HB3 1 55 ALA H . . 3.490 3.418 3.281 3.522 0.032 17 0 "[ . 1 . 2]" 1
735 1 54 GLN HE21 1 58 ASN HB2 . . 4.510 4.515 4.176 4.593 0.083 1 0 "[ . 1 . 2]" 1
736 1 54 GLN HE22 1 54 GLN QG . . 3.730 3.279 3.227 3.322 . 0 0 "[ . 1 . 2]" 1
737 1 54 GLN HE22 1 58 ASN HD22 . . 4.620 3.852 3.253 4.402 . 0 0 "[ . 1 . 2]" 1
738 1 54 GLN QG 1 58 ASN HB3 . . 4.580 3.573 3.277 3.937 . 0 0 "[ . 1 . 2]" 1
739 1 54 GLN QG 1 58 ASN HD21 . . 3.870 2.308 2.165 2.507 . 0 0 "[ . 1 . 2]" 1
740 1 54 GLN QG 1 58 ASN HD22 . . 3.570 2.887 2.725 3.085 . 0 0 "[ . 1 . 2]" 1
741 1 54 GLN QG 1 59 SER H . . 4.440 4.507 4.311 4.541 0.101 1 0 "[ . 1 . 2]" 1
742 1 55 ALA H 1 55 ALA MB . . 3.000 2.411 2.340 2.483 . 0 0 "[ . 1 . 2]" 1
743 1 55 ALA H 1 56 PHE H . . 3.020 2.150 1.992 2.409 . 0 0 "[ . 1 . 2]" 1
744 1 55 ALA H 1 57 GLY H . . 4.680 4.134 3.858 4.697 0.017 7 0 "[ . 1 . 2]" 1
745 1 55 ALA HA 1 58 ASN HB3 . . 3.590 3.626 3.412 3.678 0.088 9 0 "[ . 1 . 2]" 1
746 1 55 ALA HA 1 60 CYS QB . . 3.380 2.592 2.151 3.200 . 0 0 "[ . 1 . 2]" 1
747 1 55 ALA MB 1 56 PHE H . . 3.420 2.974 2.104 3.462 0.042 17 0 "[ . 1 . 2]" 1
748 1 55 ALA MB 1 60 CYS QB . . 3.470 2.699 2.066 3.142 . 0 0 "[ . 1 . 2]" 1
749 1 55 ALA MB 1 63 TRP H . . 5.120 4.965 4.372 5.211 0.091 19 0 "[ . 1 . 2]" 1
750 1 55 ALA MB 1 63 TRP QB . . 3.860 2.878 2.536 3.204 . 0 0 "[ . 1 . 2]" 1
751 1 55 ALA MB 1 63 TRP HE3 . . 4.670 3.954 3.679 4.196 . 0 0 "[ . 1 . 2]" 1
752 1 56 PHE H 1 56 PHE HA . . 2.920 2.863 2.588 2.985 0.065 5 0 "[ . 1 . 2]" 1
753 1 56 PHE H 1 56 PHE HB2 . . 2.980 2.592 2.170 2.847 . 0 0 "[ . 1 . 2]" 1
754 1 56 PHE H 1 56 PHE HB3 . . 3.020 2.474 2.327 2.659 . 0 0 "[ . 1 . 2]" 1
755 1 56 PHE H 1 56 PHE QD . . 4.320 4.213 4.079 4.354 0.034 17 0 "[ . 1 . 2]" 1
756 1 56 PHE H 1 57 GLY H . . 3.270 2.537 2.033 3.208 . 0 0 "[ . 1 . 2]" 1
757 1 56 PHE H 1 58 ASN H . . 4.640 4.040 2.922 4.713 0.073 1 0 "[ . 1 . 2]" 1
758 1 56 PHE H 1 63 TRP QB . . 3.940 3.682 2.880 4.027 0.087 19 0 "[ . 1 . 2]" 1
759 1 56 PHE HA 1 56 PHE QD . . 3.330 2.226 2.119 2.408 . 0 0 "[ . 1 . 2]" 1
760 1 56 PHE HA 1 63 TRP QB . . 2.490 2.375 2.125 2.531 0.041 2 0 "[ . 1 . 2]" 1
761 1 56 PHE HA 1 63 TRP HD1 . . 4.600 4.603 4.238 4.686 0.086 5 0 "[ . 1 . 2]" 1
762 1 56 PHE HA 1 63 TRP HE3 . . 3.840 3.889 3.606 3.927 0.087 20 0 "[ . 1 . 2]" 1
763 1 56 PHE HB2 1 57 GLY H . . 3.440 3.522 3.501 3.531 0.091 3 0 "[ . 1 . 2]" 1
764 1 56 PHE HB2 1 63 TRP HE3 . . 3.950 2.265 1.995 2.504 . 0 0 "[ . 1 . 2]" 1
765 1 56 PHE HB3 1 57 GLY H . . 3.880 2.086 1.954 2.233 . 0 0 "[ . 1 . 2]" 1
766 1 56 PHE HB3 1 57 GLY HA3 . . 4.090 3.883 3.640 4.077 . 0 0 "[ . 1 . 2]" 1
767 1 56 PHE HB3 1 63 TRP HE3 . . 4.310 3.944 3.584 4.204 . 0 0 "[ . 1 . 2]" 1
768 1 56 PHE QD 1 57 GLY H . . 4.200 3.509 2.927 4.053 . 0 0 "[ . 1 . 2]" 1
769 1 56 PHE QD 1 57 GLY HA2 . . 4.610 4.572 3.723 4.707 0.097 19 0 "[ . 1 . 2]" 1
770 1 56 PHE QD 1 63 TRP HD1 . . 3.430 3.477 3.326 3.526 0.096 3 0 "[ . 1 . 2]" 1
771 1 56 PHE QD 1 63 TRP HE1 . . 3.750 3.688 3.428 3.843 0.093 17 0 "[ . 1 . 2]" 1
772 1 56 PHE QD 1 63 TRP HE3 . . 4.520 3.738 3.425 4.019 . 0 0 "[ . 1 . 2]" 1
773 1 56 PHE QE 1 63 TRP HE1 . . 4.470 3.032 2.730 3.510 . 0 0 "[ . 1 . 2]" 1
774 1 56 PHE QE 1 63 TRP HZ2 . . 4.370 3.595 3.175 4.096 . 0 0 "[ . 1 . 2]" 1
775 1 57 GLY H 1 57 GLY HA3 . . 2.880 2.467 2.302 2.593 . 0 0 "[ . 1 . 2]" 1
776 1 57 GLY H 1 58 ASN H . . 3.260 2.907 2.208 3.301 0.041 2 0 "[ . 1 . 2]" 1
777 1 58 ASN H 1 58 ASN HB2 . . 3.330 3.247 2.596 3.424 0.094 1 0 "[ . 1 . 2]" 1
778 1 58 ASN H 1 58 ASN HB3 . . 3.390 2.555 2.203 2.820 . 0 0 "[ . 1 . 2]" 1
779 1 58 ASN H 1 58 ASN HD21 . . 4.770 4.568 4.286 4.836 0.066 5 0 "[ . 1 . 2]" 1
780 1 58 ASN H 1 59 SER H . . 4.170 3.083 2.366 4.143 . 0 0 "[ . 1 . 2]" 1
781 1 58 ASN H 1 60 CYS H . . 4.240 3.999 3.315 4.326 0.086 20 0 "[ . 1 . 2]" 1
782 1 58 ASN HB2 1 58 ASN HD21 . . 3.360 3.304 3.253 3.392 0.032 4 0 "[ . 1 . 2]" 1
783 1 58 ASN HB2 1 58 ASN HD22 . . 4.020 4.027 3.957 4.073 0.053 1 0 "[ . 1 . 2]" 1
784 1 58 ASN HB3 1 58 ASN HD21 . . 3.260 2.246 2.174 2.303 . 0 0 "[ . 1 . 2]" 1
785 1 58 ASN HB3 1 58 ASN HD22 . . 3.940 3.531 3.451 3.579 . 0 0 "[ . 1 . 2]" 1
786 1 58 ASN HB3 1 59 SER H . . 4.660 2.196 2.000 2.561 . 0 0 "[ . 1 . 2]" 1
787 1 58 ASN HD21 1 59 SER H . . 3.800 2.403 2.120 2.638 . 0 0 "[ . 1 . 2]" 1
788 1 58 ASN HD21 1 59 SER HB3 . . 4.740 4.130 2.971 5.329 0.589 18 1 "[ . 1 . + 2]" 1
789 1 58 ASN HD22 1 59 SER H . . 4.300 3.276 2.615 3.775 . 0 0 "[ . 1 . 2]" 1
790 1 59 SER H 1 59 SER HB2 . . 3.640 2.521 2.169 3.032 . 0 0 "[ . 1 . 2]" 1
791 1 59 SER H 1 59 SER HB3 . . 3.530 3.257 2.494 3.656 0.126 5 0 "[ . 1 . 2]" 1
792 1 59 SER H 1 60 CYS H . . 3.130 2.412 2.092 2.961 . 0 0 "[ . 1 . 2]" 1
793 1 59 SER HB3 1 60 CYS QB . . 4.470 4.462 3.918 5.419 0.949 2 2 "[ + . 1 . - 2]" 1
794 1 60 CYS H 1 60 CYS QB . . 3.030 2.190 1.942 2.406 . 0 0 "[ . 1 . 2]" 1
795 1 60 CYS HA 1 61 LEU H . . 2.640 2.273 2.083 2.659 0.019 12 0 "[ . 1 . 2]" 1
796 1 60 CYS QB 1 61 LEU H . . 4.430 3.583 3.194 3.888 . 0 0 "[ . 1 . 2]" 1
797 1 60 CYS QB 1 63 TRP HA . . 3.700 3.592 3.381 3.683 . 0 0 "[ . 1 . 2]" 1
798 1 61 LEU H 1 61 LEU QB . . 2.780 2.222 2.053 2.614 . 0 0 "[ . 1 . 2]" 1
799 1 61 LEU H 1 61 LEU MD1 . . 4.180 3.857 2.107 4.359 0.179 1 0 "[ . 1 . 2]" 1
800 1 61 LEU H 1 61 LEU MD2 . . 4.950 3.437 1.863 4.282 . 0 0 "[ . 1 . 2]" 1
801 1 61 LEU H 1 62 ASN H . . 3.070 2.680 2.322 3.025 . 0 0 "[ . 1 . 2]" 1
802 1 61 LEU HA 1 61 LEU MD1 . . 3.500 2.443 2.030 3.263 . 0 0 "[ . 1 . 2]" 1
803 1 61 LEU HA 1 61 LEU MD2 . . 3.300 2.574 2.059 3.608 0.308 12 0 "[ . 1 . 2]" 1
804 1 61 LEU QB 1 61 LEU MD1 . . 2.940 2.383 2.208 2.515 . 0 0 "[ . 1 . 2]" 1
805 1 61 LEU QB 1 61 LEU MD2 . . 3.130 2.237 1.995 2.486 . 0 0 "[ . 1 . 2]" 1
806 1 61 LEU QB 1 62 ASN H . . 3.370 2.568 2.075 3.018 . 0 0 "[ . 1 . 2]" 1
807 1 61 LEU MD1 1 62 ASN HD21 . . 5.170 4.096 2.119 5.930 0.760 7 2 "[ - . + 1 . 2]" 1
808 1 61 LEU MD2 1 62 ASN H . . 4.680 4.553 3.663 5.100 0.420 20 0 "[ . 1 . 2]" 1
809 1 62 ASN H 1 62 ASN QB . . 3.610 2.878 2.567 3.295 . 0 0 "[ . 1 . 2]" 1
810 1 62 ASN HA 1 63 TRP H . . 2.930 2.208 2.031 2.473 . 0 0 "[ . 1 . 2]" 1
811 1 62 ASN HA 1 63 TRP QB . . 4.610 4.509 4.094 4.685 0.075 6 0 "[ . 1 . 2]" 1
812 1 62 ASN HA 1 63 TRP HD1 . . 4.020 3.592 3.049 4.100 0.080 6 0 "[ . 1 . 2]" 1
813 1 62 ASN QB 1 63 TRP H . . 4.820 3.078 2.362 3.451 . 0 0 "[ . 1 . 2]" 1
814 1 62 ASN QB 1 63 TRP HD1 . . 3.670 3.266 2.647 3.668 . 0 0 "[ . 1 . 2]" 1
815 1 63 TRP H 1 63 TRP QB . . 3.230 2.652 2.383 2.825 . 0 0 "[ . 1 . 2]" 1
816 1 63 TRP H 1 63 TRP HD1 . . 2.660 2.086 1.795 2.419 . 0 0 "[ . 1 . 2]" 1
817 1 63 TRP H 1 63 TRP HE1 . . 4.430 4.231 3.997 4.486 0.056 3 0 "[ . 1 . 2]" 1
818 1 63 TRP HA 1 63 TRP QB . . 2.650 2.166 2.147 2.190 . 0 0 "[ . 1 . 2]" 1
819 1 63 TRP HA 1 63 TRP HD1 . . 4.110 3.991 3.854 4.061 . 0 0 "[ . 1 . 2]" 1
820 1 63 TRP QB 1 63 TRP HD1 . . 3.270 3.250 3.202 3.308 0.038 12 0 "[ . 1 . 2]" 1
821 1 63 TRP QB 1 63 TRP HE3 . . 3.490 2.526 2.464 2.666 . 0 0 "[ . 1 . 2]" 1
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