NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624926 |
5mwq   |
34087 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5mwq
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 623
_Distance_constraint_stats_list.Viol_count 24
_Distance_constraint_stats_list.Viol_total 632.474
_Distance_constraint_stats_list.Viol_max 1.935
_Distance_constraint_stats_list.Viol_rms 0.0616
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 1.3177
_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 2 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 CYS 1.632 0.857 4 2 "[ +. - 1 . 2]"
2 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 SER 29.941 1.935 11 20 [******-***+*********]
2 10 HIS 31.573 1.935 11 20 [******-***+*********]
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 ALA 0.051 0.051 6 0 "[ . 1 . 2]"
2 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 LEU 0.051 0.051 6 0 "[ . 1 . 2]"
2 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 ARG 0.000 0.000 . 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 2 ILE H 1 2 ILE HB 3.640 . 4.140 2.360 1.986 2.832 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE H 1 2 ILE MD 5.380 . 5.880 3.939 2.461 4.481 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE H 1 2 ILE HG12 4.910 . 5.410 4.505 3.976 4.695 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 2 ILE HG13 4.910 . 5.410 4.470 4.074 4.681 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE MG 4.120 . 4.620 2.359 1.895 3.457 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 3 VAL CB 6.890 . 7.390 5.328 5.101 5.454 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 3 VAL H 3.880 . 4.380 2.833 2.588 2.918 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 4 GLU H 4.450 . 4.950 4.456 4.387 4.528 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE H 1 19 TYR QE 5.240 . 5.740 3.437 2.388 4.713 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE MD 1 5 GLN H 6.610 . 7.110 4.930 4.171 5.550 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE MD 1 16 LEU HA 5.640 . 6.140 3.495 2.430 4.710 . 0 0 "[ . 1 . 2]" 1
12 1 2 ILE MD 1 19 TYR QD 5.570 . 6.070 3.878 2.915 4.180 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE MD 1 19 TYR QE 7.360 . 7.860 3.087 2.231 4.170 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE QG 1 6 CYS H 5.990 . 6.490 3.586 2.829 4.304 . 0 0 "[ . 1 . 2]" 1
15 1 2 ILE QG 1 19 TYR QD 6.660 . 7.160 4.191 3.393 5.247 . 0 0 "[ . 1 . 2]" 1
16 1 2 ILE QG 1 19 TYR QE 6.730 . 7.230 3.693 2.471 4.450 . 0 0 "[ . 1 . 2]" 1
17 1 2 ILE MG 1 3 VAL CB 6.390 . 6.890 4.059 3.713 4.494 . 0 0 "[ . 1 . 2]" 1
18 1 2 ILE MG 1 3 VAL H 4.170 . 4.670 2.430 2.202 2.830 . 0 0 "[ . 1 . 2]" 1
19 1 2 ILE MG 1 3 VAL HA 4.660 . 5.160 3.503 3.205 3.904 . 0 0 "[ . 1 . 2]" 1
20 1 2 ILE MG 1 3 VAL HB 5.240 . 5.740 3.722 3.135 4.387 . 0 0 "[ . 1 . 2]" 1
21 1 2 ILE MG 1 4 GLU H 5.720 . 6.220 4.610 4.455 4.775 . 0 0 "[ . 1 . 2]" 1
22 1 2 ILE MG 1 6 CYS H 6.610 . 7.110 4.740 3.801 5.398 . 0 0 "[ . 1 . 2]" 1
23 1 2 ILE MG 1 6 CYS QB 7.170 . 7.670 4.240 3.292 5.273 . 0 0 "[ . 1 . 2]" 1
24 1 2 ILE MG 1 16 LEU HA 5.300 . 5.800 3.640 2.706 4.466 . 0 0 "[ . 1 . 2]" 1
25 1 2 ILE MG 1 19 TYR H 6.610 . 7.110 4.709 4.028 5.177 . 0 0 "[ . 1 . 2]" 1
26 1 2 ILE MG 1 19 TYR QB 6.170 . 6.670 3.589 2.772 4.489 . 0 0 "[ . 1 . 2]" 1
27 1 2 ILE MG 1 19 TYR QD 5.350 . 5.850 2.964 2.753 3.302 . 0 0 "[ . 1 . 2]" 1
28 1 2 ILE MG 1 19 TYR QE 5.760 . 6.260 2.748 2.183 3.360 . 0 0 "[ . 1 . 2]" 1
29 1 2 ILE MG 2 15 LEU CG 7.970 . 8.470 5.177 4.024 6.687 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL CB 1 4 GLU H 5.620 . 6.120 3.385 3.255 3.554 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL CB 1 4 GLU HA 6.660 . 7.160 4.892 4.722 4.969 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL CB 1 6 CYS QB 7.510 . 8.010 5.423 4.092 6.241 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL CB 1 7 CYS QB 7.520 . 8.020 5.301 4.458 5.917 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL CB 1 19 TYR QE 6.730 . 7.230 5.320 3.494 6.076 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL CB 2 27 THR H 7.100 . 7.600 6.204 3.920 7.086 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL H 1 3 VAL HB 3.220 . 3.720 2.435 2.246 2.791 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL H 1 3 VAL MG1 4.540 . 5.040 2.618 2.153 3.793 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL H 1 3 VAL MG2 4.540 . 5.040 3.378 1.869 3.794 . 0 0 "[ . 1 . 2]" 1
39 1 3 VAL H 1 4 GLU H 3.980 . 4.480 2.847 2.745 2.932 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL H 1 19 TYR QD 6.170 . 6.670 5.344 5.072 5.507 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL HA 1 4 GLU QB 6.170 . 6.670 5.185 5.073 5.522 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL HA 1 6 CYS H 5.490 . 5.990 4.027 2.877 4.581 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL HA 2 11 LEU CG 6.110 . 6.610 3.936 3.212 4.967 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL HA 2 11 LEU QB 6.490 . 6.990 4.107 3.544 5.434 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL HA 2 11 LEU MD1 5.930 . 6.430 2.816 2.029 4.809 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL HA 2 11 LEU MD2 5.930 . 6.430 3.014 2.197 4.111 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL HB 1 4 GLU H 4.140 . 4.640 3.865 2.825 4.175 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL HB 2 11 LEU CG 7.010 . 7.510 5.161 4.044 6.895 . 0 0 "[ . 1 . 2]" 1
49 1 3 VAL MG1 1 4 GLU H 5.280 . 5.780 2.787 2.400 4.014 . 0 0 "[ . 1 . 2]" 1
50 1 3 VAL MG1 2 29 LYS H 6.160 . 6.660 3.808 2.658 5.137 . 0 0 "[ . 1 . 2]" 1
51 1 3 VAL MG2 1 4 GLU H 5.280 . 5.780 3.965 3.769 4.223 . 0 0 "[ . 1 . 2]" 1
52 1 3 VAL MG2 2 29 LYS H 6.160 . 6.660 4.539 3.166 5.149 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLU H 1 4 GLU QB 3.700 . 4.200 2.320 2.199 2.449 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLU H 1 4 GLU QG 4.740 . 5.240 4.014 3.450 4.096 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU HA 1 8 THR MG 5.670 . 6.170 3.848 2.682 4.553 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLU QB 1 5 GLN H 3.910 . 4.410 2.534 2.312 2.763 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU QB 1 7 CYS QB 6.730 . 7.230 4.594 4.251 5.241 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLU QB 1 8 THR MG 5.880 . 6.380 4.186 2.686 4.392 . 0 0 "[ . 1 . 2]" 1
59 1 4 GLU QG 1 5 GLN H 5.050 . 5.550 3.593 3.192 4.473 . 0 0 "[ . 1 . 2]" 1
60 1 4 GLU QG 1 8 THR H 5.420 . 5.920 4.174 3.676 4.865 . 0 0 "[ . 1 . 2]" 1
61 1 4 GLU QG 1 8 THR MG 6.740 . 7.240 2.810 2.390 3.428 . 0 0 "[ . 1 . 2]" 1
62 1 5 GLN H 1 5 GLN HB2 3.690 . 4.190 2.522 2.365 3.628 . 0 0 "[ . 1 . 2]" 1
63 1 5 GLN H 1 5 GLN QB 3.630 . 4.130 2.282 2.185 2.581 . 0 0 "[ . 1 . 2]" 1
64 1 5 GLN H 1 5 GLN HB3 3.690 . 4.190 2.762 2.393 3.622 . 0 0 "[ . 1 . 2]" 1
65 1 5 GLN H 1 8 THR MG 6.610 . 7.110 4.619 4.156 5.141 . 0 0 "[ . 1 . 2]" 1
66 1 5 GLN QE 1 15 GLN QG 6.530 . 7.030 4.277 2.872 5.189 . 0 0 "[ . 1 . 2]" 1
67 1 5 GLN QG 1 6 CYS H 5.990 . 6.490 3.807 2.277 4.386 . 0 0 "[ . 1 . 2]" 1
68 1 6 CYS H 1 6 CYS QB 2.950 . 3.450 2.310 2.104 2.625 . 0 0 "[ . 1 . 2]" 1
69 1 6 CYS H 1 8 THR MG 6.610 . 7.110 5.108 4.596 5.525 . 0 0 "[ . 1 . 2]" 1
70 1 6 CYS H 2 11 LEU CG 7.640 . 8.140 6.272 5.596 7.245 . 0 0 "[ . 1 . 2]" 1
71 1 6 CYS QB 1 7 CYS HA 5.750 . 6.250 4.203 3.947 4.530 . 0 0 "[ . 1 . 2]" 1
72 1 6 CYS QB 2 6 LEU CG 7.860 . 8.360 4.601 3.743 6.105 . 0 0 "[ . 1 . 2]" 1
73 1 6 CYS QB 2 6 LEU QB 5.850 . 6.350 2.716 2.097 4.059 . 0 0 "[ . 1 . 2]" 1
74 1 6 CYS QB 2 11 LEU CG 6.040 . 6.540 4.098 3.653 4.690 . 0 0 "[ . 1 . 2]" 1
75 1 6 CYS QB 2 11 LEU QB 6.490 . 6.990 3.678 2.989 4.793 . 0 0 "[ . 1 . 2]" 1
76 1 7 CYS H 1 7 CYS QB 2.940 . 3.440 2.230 2.072 2.333 . 0 0 "[ . 1 . 2]" 1
77 1 7 CYS H 1 8 THR H 3.740 . 4.240 2.530 2.345 2.743 . 0 0 "[ . 1 . 2]" 1
78 1 7 CYS H 1 8 THR MG 6.100 . 6.600 4.087 3.860 4.403 . 0 0 "[ . 1 . 2]" 1
79 1 7 CYS H 2 11 LEU CG 7.640 . 8.140 6.613 5.827 7.152 . 0 0 "[ . 1 . 2]" 1
80 1 7 CYS HA 2 5 HIS QB 4.580 . 5.080 3.675 2.990 4.102 . 0 0 "[ . 1 . 2]" 1
81 1 7 CYS HA 2 6 LEU H 3.680 . 4.180 3.448 2.530 3.728 . 0 0 "[ . 1 . 2]" 1
82 1 7 CYS HA 2 6 LEU QB 5.990 . 6.490 4.930 4.169 5.229 . 0 0 "[ . 1 . 2]" 1
83 1 7 CYS HA 2 11 LEU CG 7.640 . 8.140 7.262 6.569 7.659 . 0 0 "[ . 1 . 2]" 1
84 1 7 CYS QB 1 8 THR H 4.470 . 4.970 2.461 2.134 2.710 . 0 0 "[ . 1 . 2]" 1
85 1 7 CYS QB 1 8 THR MG 5.940 . 6.440 3.577 2.716 4.330 . 0 0 "[ . 1 . 2]" 1
86 1 7 CYS QB 2 7 CYS HA 4.230 . 4.730 2.833 2.162 3.851 . 0 0 "[ . 1 . 2]" 1
87 1 7 CYS QB 2 11 LEU QB 6.530 . 7.030 4.903 4.457 5.233 . 0 0 "[ . 1 . 2]" 1
88 1 7 CYS HB2 1 8 THR MG 6.260 . 6.760 4.855 3.280 5.652 . 0 0 "[ . 1 . 2]" 1
89 1 7 CYS HB2 2 7 CYS HA 4.460 . 4.960 2.929 2.174 4.277 . 0 0 "[ . 1 . 2]" 1
90 1 7 CYS HB3 1 8 THR MG 6.760 . 7.260 3.736 2.748 5.013 . 0 0 "[ . 1 . 2]" 1
91 1 7 CYS HB3 2 7 CYS HA 4.460 . 4.960 4.322 3.866 4.507 . 0 0 "[ . 1 . 2]" 1
92 1 8 THR H 1 9 SER H 4.040 . 4.540 2.637 2.486 2.910 . 0 0 "[ . 1 . 2]" 1
93 1 8 THR H 2 7 CYS QB 5.990 . 6.490 5.333 5.154 5.436 . 0 0 "[ . 1 . 2]" 1
94 1 8 THR MG 1 9 SER H 5.850 . 6.350 3.355 2.644 4.152 . 0 0 "[ . 1 . 2]" 1
95 1 8 THR MG 1 9 SER HA 7.610 . 8.110 4.901 3.977 5.836 . 0 0 "[ . 1 . 2]" 1
96 1 8 THR MG 1 9 SER QB 7.200 . 7.700 3.712 2.411 5.345 . 0 0 "[ . 1 . 2]" 1
97 1 9 SER H 1 10 ILE H 5.500 . 6.000 4.263 3.072 4.427 . 0 0 "[ . 1 . 2]" 1
98 1 9 SER HA 1 10 ILE H 3.480 . 3.980 2.699 2.455 3.508 . 0 0 "[ . 1 . 2]" 1
99 1 9 SER HA 1 10 ILE MD 6.610 . 7.110 5.119 3.393 5.533 . 0 0 "[ . 1 . 2]" 1
100 1 9 SER QB 1 10 ILE H 3.960 . 4.460 2.955 2.396 3.282 . 0 0 "[ . 1 . 2]" 1
101 1 9 SER QB 1 10 ILE QG 6.530 . 7.030 4.140 2.352 4.566 . 0 0 "[ . 1 . 2]" 1
102 1 10 ILE H 1 10 ILE HB 4.110 . 4.610 3.462 2.647 3.944 . 0 0 "[ . 1 . 2]" 1
103 1 10 ILE H 1 10 ILE MD 5.080 . 5.580 3.620 2.705 4.209 . 0 0 "[ . 1 . 2]" 1
104 1 10 ILE H 1 10 ILE HG12 4.650 . 5.150 2.276 1.936 3.242 . 0 0 "[ . 1 . 2]" 1
105 1 10 ILE H 1 10 ILE QG 4.290 . 4.790 2.102 1.927 2.520 . 0 0 "[ . 1 . 2]" 1
106 1 10 ILE H 1 10 ILE HG13 4.650 . 5.150 3.104 2.163 3.703 . 0 0 "[ . 1 . 2]" 1
107 1 10 ILE H 1 11 CYS H 5.500 . 6.000 4.510 2.643 4.678 . 0 0 "[ . 1 . 2]" 1
108 1 10 ILE HA 1 11 CYS H 3.460 . 3.960 2.313 2.048 3.505 . 0 0 "[ . 1 . 2]" 1
109 1 10 ILE HB 1 11 CYS H 5.500 . 6.000 2.974 2.547 3.969 . 0 0 "[ . 1 . 2]" 1
110 1 10 ILE HB 2 3 ASN QB 4.370 . 4.870 3.033 2.218 3.963 . 0 0 "[ . 1 . 2]" 1
111 1 10 ILE MD 1 11 CYS H 6.400 . 6.900 4.677 4.307 5.206 . 0 0 "[ . 1 . 2]" 1
112 1 10 ILE MD 2 4 GLN H 5.960 . 6.460 4.711 3.933 5.003 . 0 0 "[ . 1 . 2]" 1
113 1 10 ILE MD 2 5 HIS H 6.610 . 7.110 5.155 3.300 5.536 . 0 0 "[ . 1 . 2]" 1
114 1 10 ILE MG 1 11 CYS H 4.780 . 5.280 3.320 2.171 3.932 . 0 0 "[ . 1 . 2]" 1
115 1 10 ILE MG 2 3 ASN H 6.610 . 7.110 5.079 4.026 5.532 . 0 0 "[ . 1 . 2]" 1
116 1 10 ILE MG 2 3 ASN HA 6.610 . 7.110 4.475 3.192 5.300 . 0 0 "[ . 1 . 2]" 1
117 1 10 ILE MG 2 3 ASN QB 5.700 . 6.200 3.141 1.988 4.239 . 0 0 "[ . 1 . 2]" 1
118 1 10 ILE MG 2 4 GLN H 5.540 . 6.040 3.570 1.976 4.603 . 0 0 "[ . 1 . 2]" 1
119 1 10 ILE MG 2 4 GLN QB 7.200 . 7.700 3.943 2.271 4.334 . 0 0 "[ . 1 . 2]" 1
120 1 10 ILE MG 2 5 HIS H 5.550 . 6.050 2.976 2.455 3.909 . 0 0 "[ . 1 . 2]" 1
121 1 10 ILE MG 2 5 HIS HE1 6.610 . 7.110 4.740 2.789 5.531 . 0 0 "[ . 1 . 2]" 1
122 1 11 CYS H 1 12 SER H 5.500 . 6.000 4.469 4.378 4.702 . 0 0 "[ . 1 . 2]" 1
123 1 11 CYS HA 1 12 SER H 3.300 . 3.800 2.517 2.180 2.806 . 0 0 "[ . 1 . 2]" 1
124 1 11 CYS QB 1 12 SER H 4.460 . 4.960 2.558 2.148 3.394 . 0 0 "[ . 1 . 2]" 1
125 1 12 SER H 1 15 GLN H 4.640 . 5.140 3.583 3.209 4.076 . 0 0 "[ . 1 . 2]" 1
126 1 12 SER H 1 15 GLN HB2 4.250 . 4.750 2.582 1.901 2.927 . 0 0 "[ . 1 . 2]" 1
127 1 12 SER H 1 15 GLN QB 3.930 . 4.430 2.554 1.891 2.880 . 0 0 "[ . 1 . 2]" 1
128 1 12 SER H 1 15 GLN HB3 4.250 . 4.750 4.083 3.410 4.294 . 0 0 "[ . 1 . 2]" 1
129 1 12 SER H 1 15 GLN QG 5.440 . 5.940 3.342 2.777 3.966 . 0 0 "[ . 1 . 2]" 1
130 1 12 SER H 1 16 LEU CG 7.640 . 8.140 5.290 4.351 6.583 . 0 0 "[ . 1 . 2]" 1
131 1 12 SER H 1 16 LEU H 5.500 . 6.000 4.357 3.599 4.969 . 0 0 "[ . 1 . 2]" 1
132 1 12 SER H 1 16 LEU QB 6.990 . 7.490 5.574 4.935 6.243 . 0 0 "[ . 1 . 2]" 1
133 1 12 SER HA 1 13 LEU CG 7.500 . 8.000 4.780 4.360 5.576 . 0 0 "[ . 1 . 2]" 1
134 1 12 SER HA 1 13 LEU H 3.530 . 4.030 2.380 2.171 2.615 . 0 0 "[ . 1 . 2]" 1
135 1 12 SER QB 1 13 LEU H 3.840 . 4.340 2.807 2.292 3.458 . 0 0 "[ . 1 . 2]" 1
136 1 12 SER QB 1 13 LEU HG 5.250 . 5.750 4.353 3.558 4.732 . 0 0 "[ . 1 . 2]" 1
137 1 12 SER QB 1 14 TYR H 4.590 . 5.090 3.022 2.597 3.514 . 0 0 "[ . 1 . 2]" 1
138 1 12 SER QB 1 14 TYR QD 6.730 . 7.230 3.715 2.882 5.037 . 0 0 "[ . 1 . 2]" 1
139 1 12 SER QB 1 15 GLN H 5.650 . 6.150 3.482 2.553 4.070 . 0 0 "[ . 1 . 2]" 1
140 1 12 SER HB2 1 13 LEU H 4.160 . 4.660 3.270 2.312 3.917 . 0 0 "[ . 1 . 2]" 1
141 1 12 SER HB3 1 13 LEU H 4.160 . 4.660 3.500 2.438 4.025 . 0 0 "[ . 1 . 2]" 1
142 1 13 LEU CG 1 14 TYR H 6.930 . 7.430 4.113 3.025 4.571 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU CG 1 14 TYR QB 8.120 . 8.620 5.947 4.287 6.504 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU CG 1 14 TYR QD 8.310 . 8.810 5.766 3.970 7.450 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU CG 2 18 VAL CB 8.500 . 9.000 5.944 5.645 6.921 . 0 0 "[ . 1 . 2]" 1
146 1 13 LEU CG 2 18 VAL HA 7.640 . 8.140 6.000 5.518 6.928 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU H 1 13 LEU HB2 3.760 . 4.260 2.830 2.526 3.608 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU H 1 13 LEU QB 3.470 . 3.970 2.537 2.313 2.695 . 0 0 "[ . 1 . 2]" 1
149 1 13 LEU H 1 13 LEU HB3 3.760 . 4.260 3.355 2.344 3.622 . 0 0 "[ . 1 . 2]" 1
150 1 13 LEU H 1 13 LEU MD1 5.520 . 6.020 3.669 3.503 3.977 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU H 1 13 LEU MD2 5.520 . 6.020 2.978 2.736 3.208 . 0 0 "[ . 1 . 2]" 1
152 1 13 LEU H 1 13 LEU HG 3.670 . 4.170 2.113 1.831 2.543 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU H 1 14 TYR H 3.760 . 4.260 2.794 2.635 2.904 . 0 0 "[ . 1 . 2]" 1
154 1 13 LEU H 1 14 TYR HA 5.500 . 6.000 5.419 5.272 5.498 . 0 0 "[ . 1 . 2]" 1
155 1 13 LEU HA 1 13 LEU HG 3.960 . 4.460 3.411 3.183 3.751 . 0 0 "[ . 1 . 2]" 1
156 1 13 LEU HA 1 16 LEU CG 6.770 . 7.270 3.748 3.450 4.021 . 0 0 "[ . 1 . 2]" 1
157 1 13 LEU HA 1 16 LEU H 4.480 . 4.980 3.351 3.137 3.738 . 0 0 "[ . 1 . 2]" 1
158 1 13 LEU HA 1 16 LEU QB 3.860 . 4.360 2.491 2.122 3.350 . 0 0 "[ . 1 . 2]" 1
159 1 13 LEU HA 1 16 LEU HG 3.890 . 4.390 3.805 3.020 3.925 . 0 0 "[ . 1 . 2]" 1
160 1 13 LEU HA 2 18 VAL CB 6.420 . 6.920 4.668 3.961 5.088 . 0 0 "[ . 1 . 2]" 1
161 1 13 LEU QB 1 14 TYR H 4.270 . 4.770 2.887 2.583 3.666 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU HB2 1 14 TYR H 4.520 . 5.020 3.020 2.626 4.150 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU HB3 1 14 TYR H 4.520 . 5.020 3.913 3.778 4.088 . 0 0 "[ . 1 . 2]" 1
164 1 13 LEU MD1 1 14 TYR H 6.490 . 6.990 4.292 2.893 4.823 . 0 0 "[ . 1 . 2]" 1
165 1 13 LEU MD2 1 14 TYR H 6.490 . 6.990 4.557 3.968 4.799 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU HG 1 14 TYR H 4.910 . 5.410 3.847 2.263 4.507 . 0 0 "[ . 1 . 2]" 1
167 1 14 TYR H 1 14 TYR QB 3.600 . 4.100 2.323 2.154 2.424 . 0 0 "[ . 1 . 2]" 1
168 1 14 TYR H 1 14 TYR QD 5.030 . 5.530 2.965 2.562 4.208 . 0 0 "[ . 1 . 2]" 1
169 1 14 TYR HA 1 14 TYR QD 4.190 . 4.690 2.627 2.528 2.779 . 0 0 "[ . 1 . 2]" 1
170 1 14 TYR HA 1 14 TYR QE 5.880 . 6.380 4.505 4.442 4.704 . 0 0 "[ . 1 . 2]" 1
171 1 14 TYR QB 1 15 GLN H 4.180 . 4.680 2.900 2.538 3.224 . 0 0 "[ . 1 . 2]" 1
172 1 14 TYR QB 1 15 GLN HA 4.700 . 5.200 4.198 4.140 4.248 . 0 0 "[ . 1 . 2]" 1
173 1 14 TYR QD 1 15 GLN H 5.380 . 5.880 4.437 3.431 4.796 . 0 0 "[ . 1 . 2]" 1
174 1 15 GLN H 1 15 GLN HB2 3.680 . 4.180 2.404 2.184 2.574 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLN H 1 15 GLN QB 3.510 . 4.010 2.369 2.163 2.525 . 0 0 "[ . 1 . 2]" 1
176 1 15 GLN H 1 15 GLN HB3 3.680 . 4.180 3.596 3.486 3.654 . 0 0 "[ . 1 . 2]" 1
177 1 15 GLN H 1 15 GLN HG2 4.440 . 4.940 3.459 2.381 4.208 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLN H 1 15 GLN QG 4.110 . 4.610 2.779 2.302 3.665 . 0 0 "[ . 1 . 2]" 1
179 1 15 GLN H 1 15 GLN HG3 4.440 . 4.940 3.290 2.338 4.323 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLN H 1 16 LEU H 3.420 . 3.920 2.490 2.284 2.665 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLN H 1 16 LEU QB 5.990 . 6.490 4.333 4.034 4.604 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLN H 1 17 GLU H 4.700 . 5.200 4.140 3.957 4.514 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLN HA 1 15 GLN QE 4.910 . 5.410 4.057 3.213 4.422 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLN HA 1 15 GLN HG2 3.880 . 4.380 3.031 2.379 3.679 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLN HA 1 15 GLN QG 3.690 . 4.190 2.562 2.254 3.065 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLN HA 1 15 GLN HG3 3.880 . 4.380 3.040 2.340 3.814 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLN HA 1 18 ASN H 4.800 . 5.300 4.084 3.719 4.359 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLN HA 1 18 ASN QB 4.730 . 5.230 4.009 3.082 4.247 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLN HA 1 18 ASN QD 4.830 . 5.330 2.514 2.025 4.320 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLN QB 1 16 LEU CG 8.130 . 8.630 4.332 3.996 4.926 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLN QB 1 16 LEU H 4.240 . 4.740 2.697 2.464 2.827 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLN QG 1 16 LEU H 5.930 . 6.430 4.305 3.956 4.636 . 0 0 "[ . 1 . 2]" 1
193 1 16 LEU CG 1 17 GLU H 7.500 . 8.000 4.603 4.519 4.765 . 0 0 "[ . 1 . 2]" 1
194 1 16 LEU CG 1 19 TYR QD 8.310 . 8.810 5.297 4.334 5.638 . 0 0 "[ . 1 . 2]" 1
195 1 16 LEU CG 2 15 LEU H 7.640 . 8.140 5.223 3.900 5.832 . 0 0 "[ . 1 . 2]" 1
196 1 16 LEU CG 2 15 LEU HA 6.870 . 7.370 4.835 3.877 5.291 . 0 0 "[ . 1 . 2]" 1
197 1 16 LEU CG 2 18 VAL CB 8.740 . 9.240 5.503 4.992 6.091 . 0 0 "[ . 1 . 2]" 1
198 1 16 LEU H 1 16 LEU HB2 3.690 . 4.190 2.306 2.127 2.436 . 0 0 "[ . 1 . 2]" 1
199 1 16 LEU H 1 16 LEU QB 3.550 . 4.050 2.277 2.108 2.397 . 0 0 "[ . 1 . 2]" 1
200 1 16 LEU H 1 16 LEU HB3 3.690 . 4.190 3.537 3.457 3.571 . 0 0 "[ . 1 . 2]" 1
201 1 16 LEU H 1 16 LEU HG 4.120 . 4.620 2.756 2.318 3.879 . 0 0 "[ . 1 . 2]" 1
202 1 16 LEU H 1 17 GLU H 3.810 . 4.310 2.760 2.604 2.888 . 0 0 "[ . 1 . 2]" 1
203 1 16 LEU H 1 18 ASN H 4.620 . 5.120 4.329 4.182 4.438 . 0 0 "[ . 1 . 2]" 1
204 1 16 LEU H 1 18 ASN QB 5.990 . 6.490 5.329 4.955 5.388 . 0 0 "[ . 1 . 2]" 1
205 1 16 LEU H 1 19 TYR QD 6.170 . 6.670 5.165 4.845 5.557 . 0 0 "[ . 1 . 2]" 1
206 1 16 LEU HA 1 16 LEU HG 3.960 . 4.460 3.026 2.630 3.793 . 0 0 "[ . 1 . 2]" 1
207 1 16 LEU HA 1 18 ASN H 4.310 . 4.810 3.705 3.464 3.947 . 0 0 "[ . 1 . 2]" 1
208 1 16 LEU HA 1 19 TYR QD 3.670 . 4.170 2.762 2.195 2.983 . 0 0 "[ . 1 . 2]" 1
209 1 16 LEU HA 1 19 TYR QE 4.840 . 5.340 4.069 2.268 4.363 . 0 0 "[ . 1 . 2]" 1
210 1 16 LEU HA 2 15 LEU CG 6.570 . 7.070 5.037 4.571 5.298 . 0 0 "[ . 1 . 2]" 1
211 1 16 LEU HA 2 18 VAL CB 7.640 . 8.140 6.313 6.016 6.710 . 0 0 "[ . 1 . 2]" 1
212 1 16 LEU QB 1 17 GLU H 4.000 . 4.500 2.748 2.589 2.954 . 0 0 "[ . 1 . 2]" 1
213 1 16 LEU QB 2 18 VAL CB 6.200 . 6.700 3.563 3.286 3.952 . 0 0 "[ . 1 . 2]" 1
214 1 16 LEU HB2 1 17 GLU H 4.060 . 4.560 2.843 2.672 3.081 . 0 0 "[ . 1 . 2]" 1
215 1 16 LEU HB3 1 17 GLU H 4.060 . 4.560 3.656 3.471 3.829 . 0 0 "[ . 1 . 2]" 1
216 1 16 LEU HG 1 17 GLU H 5.260 . 5.760 4.791 4.491 5.287 . 0 0 "[ . 1 . 2]" 1
217 1 16 LEU HG 2 15 LEU CG 7.170 . 7.670 5.853 4.542 6.394 . 0 0 "[ . 1 . 2]" 1
218 1 16 LEU HG 2 15 LEU MD1 7.610 . 8.110 5.926 5.142 6.328 . 0 0 "[ . 1 . 2]" 1
219 1 16 LEU HG 2 15 LEU MD2 6.610 . 7.110 4.169 3.510 4.819 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLU H 1 17 GLU HB2 3.720 . 4.220 2.487 2.005 3.677 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLU H 1 17 GLU QB 3.550 . 4.050 2.354 1.982 2.636 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLU H 1 17 GLU HB3 3.720 . 4.220 3.476 2.677 3.617 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLU H 1 17 GLU QG 3.840 . 4.340 2.474 2.102 3.462 . 0 0 "[ . 1 . 2]" 1
224 1 17 GLU H 1 18 ASN H 3.690 . 4.190 2.899 2.833 2.954 . 0 0 "[ . 1 . 2]" 1
225 1 17 GLU HA 1 17 GLU HG2 4.070 . 4.570 2.590 2.310 3.778 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLU HA 1 17 GLU HG3 4.070 . 4.570 3.053 2.409 3.817 . 0 0 "[ . 1 . 2]" 1
227 1 17 GLU HA 1 18 ASN H 3.550 . 4.050 3.460 3.381 3.511 . 0 0 "[ . 1 . 2]" 1
228 1 17 GLU HA 2 18 VAL CB 5.950 . 6.450 4.765 4.406 5.190 . 0 0 "[ . 1 . 2]" 1
229 1 17 GLU QB 1 18 ASN H 4.380 . 4.880 3.154 2.861 3.903 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLU QG 2 18 VAL CB 6.130 . 6.630 4.181 3.860 5.524 . 0 0 "[ . 1 . 2]" 1
231 1 18 ASN H 1 18 ASN HB2 3.610 . 4.110 2.347 2.255 2.425 . 0 0 "[ . 1 . 2]" 1
232 1 18 ASN H 1 18 ASN QB 3.520 . 4.020 2.301 2.183 2.388 . 0 0 "[ . 1 . 2]" 1
233 1 18 ASN H 1 18 ASN HB3 3.610 . 4.110 3.461 2.546 3.602 . 0 0 "[ . 1 . 2]" 1
234 1 18 ASN H 1 19 TYR H 3.040 . 3.540 2.677 2.560 2.804 . 0 0 "[ . 1 . 2]" 1
235 1 18 ASN H 2 15 LEU CG 7.640 . 8.140 7.631 7.347 7.688 . 0 0 "[ . 1 . 2]" 1
236 1 18 ASN H 2 18 VAL CB 7.640 . 8.140 7.378 7.070 7.621 . 0 0 "[ . 1 . 2]" 1
237 1 18 ASN QB 1 19 TYR H 4.290 . 4.790 3.160 2.981 3.413 . 0 0 "[ . 1 . 2]" 1
238 1 18 ASN QB 1 19 TYR QD 6.000 . 6.500 2.919 2.294 4.172 . 0 0 "[ . 1 . 2]" 1
239 1 18 ASN QB 1 19 TYR QE 6.730 . 7.230 3.373 2.585 4.948 . 0 0 "[ . 1 . 2]" 1
240 1 18 ASN HB2 1 19 TYR H 4.470 . 4.970 3.388 3.079 4.175 . 0 0 "[ . 1 . 2]" 1
241 1 18 ASN HB2 1 19 TYR QD 6.170 . 6.670 3.147 2.319 4.382 . 0 0 "[ . 1 . 2]" 1
242 1 18 ASN HB3 1 19 TYR H 4.470 . 4.970 3.978 3.199 4.253 . 0 0 "[ . 1 . 2]" 1
243 1 18 ASN HB3 1 19 TYR QD 6.170 . 6.670 4.037 2.824 5.240 . 0 0 "[ . 1 . 2]" 1
244 1 19 TYR H 1 19 TYR HB2 3.800 . 4.300 2.379 2.237 2.463 . 0 0 "[ . 1 . 2]" 1
245 1 19 TYR H 1 19 TYR QB 3.720 . 4.220 2.349 2.215 2.427 . 0 0 "[ . 1 . 2]" 1
246 1 19 TYR H 1 19 TYR HB3 3.800 . 4.300 3.620 3.544 3.672 . 0 0 "[ . 1 . 2]" 1
247 1 19 TYR H 1 19 TYR QD 3.910 . 4.410 2.587 1.926 3.381 . 0 0 "[ . 1 . 2]" 1
248 1 19 TYR H 1 19 TYR QE 6.170 . 6.670 4.747 4.292 5.355 . 0 0 "[ . 1 . 2]" 1
249 1 19 TYR H 1 20 CYS H 3.800 . 4.300 2.465 2.216 2.678 . 0 0 "[ . 1 . 2]" 1
250 1 19 TYR H 1 20 CYS HA 5.120 . 5.620 5.044 4.831 5.142 . 0 0 "[ . 1 . 2]" 1
251 1 19 TYR H 2 15 LEU CG 6.840 . 7.340 5.953 5.580 6.115 . 0 0 "[ . 1 . 2]" 1
252 1 19 TYR H 2 15 LEU MD1 6.610 . 7.110 5.229 4.639 5.507 . 0 0 "[ . 1 . 2]" 1
253 1 19 TYR H 2 15 LEU MD2 6.610 . 7.110 3.563 3.227 4.395 . 0 0 "[ . 1 . 2]" 1
254 1 19 TYR H 2 18 VAL CB 7.640 . 8.140 7.349 6.915 7.692 . 0 0 "[ . 1 . 2]" 1
255 1 19 TYR H 2 24 PHE QB 5.570 . 6.070 4.814 4.537 4.968 . 0 0 "[ . 1 . 2]" 1
256 1 19 TYR H 2 24 PHE QD 7.170 . 7.670 6.376 6.200 6.446 . 0 0 "[ . 1 . 2]" 1
257 1 19 TYR HA 1 19 TYR QD 4.140 . 4.640 2.907 2.293 3.252 . 0 0 "[ . 1 . 2]" 1
258 1 19 TYR QB 2 15 LEU CG 6.130 . 6.630 3.825 3.480 4.062 . 0 0 "[ . 1 . 2]" 1
259 1 19 TYR QB 2 15 LEU HG 5.990 . 6.490 4.472 4.129 4.708 . 0 0 "[ . 1 . 2]" 1
260 1 19 TYR QD 2 15 LEU CG 6.970 . 7.470 5.182 3.945 5.759 . 0 0 "[ . 1 . 2]" 1
261 1 19 TYR QD 2 15 LEU MD1 6.940 . 7.440 3.920 2.782 4.511 . 0 0 "[ . 1 . 2]" 1
262 1 19 TYR QD 2 15 LEU MD2 6.940 . 7.440 3.190 2.195 3.689 . 0 0 "[ . 1 . 2]" 1
263 1 19 TYR QE 2 15 LEU CG 8.310 . 8.810 6.660 4.927 7.415 . 0 0 "[ . 1 . 2]" 1
264 1 19 TYR QE 2 27 THR HB 6.170 . 6.670 4.238 2.538 5.517 . 0 0 "[ . 1 . 2]" 1
265 1 19 TYR QE 2 27 THR MG 7.410 . 7.910 3.715 2.254 5.509 . 0 0 "[ . 1 . 2]" 1
266 1 20 CYS H 1 21 LYS QB 5.990 . 6.490 5.156 4.726 5.400 . 0 0 "[ . 1 . 2]" 1
267 1 20 CYS H 2 24 PHE QD 5.580 . 6.080 5.002 4.974 5.024 . 0 0 "[ . 1 . 2]" 1
268 1 20 CYS H 2 25 PHE H 5.210 . 5.710 5.163 4.950 5.245 . 0 0 "[ . 1 . 2]" 1
269 1 20 CYS HA 1 21 LYS QB 5.990 . 6.490 4.089 3.742 4.841 . 0 0 "[ . 1 . 2]" 1
270 1 20 CYS HA 2 15 LEU CG 7.640 . 8.140 6.577 6.121 7.129 . 0 0 "[ . 1 . 2]" 1
271 1 20 CYS HA 2 24 PHE H 4.630 . 5.130 3.562 2.397 4.669 . 0 0 "[ . 1 . 2]" 1
272 1 20 CYS HA 2 24 PHE HB2 4.390 . 4.890 3.621 3.429 3.825 . 0 0 "[ . 1 . 2]" 1
273 1 20 CYS HA 2 24 PHE QB 4.060 . 4.560 2.092 2.018 2.219 . 0 0 "[ . 1 . 2]" 1
274 1 20 CYS HA 2 24 PHE HB3 4.390 . 4.890 2.105 2.032 2.236 . 0 0 "[ . 1 . 2]" 1
275 1 20 CYS QB 1 21 LYS H 4.850 . 5.350 3.303 2.743 4.034 . 0 0 "[ . 1 . 2]" 1
276 1 20 CYS HB2 1 21 LYS H 5.010 . 5.510 4.113 3.833 4.603 . 0 0 "[ . 1 . 2]" 1
277 1 20 CYS HB3 1 21 LYS H 5.010 . 5.510 3.531 2.810 4.504 . 0 0 "[ . 1 . 2]" 1
278 1 21 LYS H 1 21 LYS HB2 3.900 . 4.400 3.243 2.406 3.926 . 0 0 "[ . 1 . 2]" 1
279 1 21 LYS H 1 21 LYS QB 3.640 . 4.140 2.713 2.143 3.258 . 0 0 "[ . 1 . 2]" 1
280 1 21 LYS H 1 21 LYS HB3 3.900 . 4.400 2.971 2.405 3.940 . 0 0 "[ . 1 . 2]" 1
281 1 21 LYS H 2 24 PHE H 3.750 . 4.250 3.458 2.110 3.848 . 0 0 "[ . 1 . 2]" 1
282 1 21 LYS H 2 24 PHE QB 4.140 . 4.640 3.581 3.185 3.740 . 0 0 "[ . 1 . 2]" 1
283 2 1 PHE HA 2 2 VAL H 3.240 . 3.740 2.258 2.121 2.338 . 0 0 "[ . 1 . 2]" 1
284 2 2 VAL CB 2 3 ASN H 6.260 . 6.760 3.308 2.772 3.976 . 0 0 "[ . 1 . 2]" 1
285 2 2 VAL CB 2 3 ASN HA 7.700 . 8.200 5.106 4.673 5.226 . 0 0 "[ . 1 . 2]" 1
286 2 2 VAL H 2 2 VAL HB 3.960 . 4.460 3.053 2.391 3.967 . 0 0 "[ . 1 . 2]" 1
287 2 2 VAL HA 2 3 ASN H 2.890 . 3.390 2.285 2.152 2.910 . 0 0 "[ . 1 . 2]" 1
288 2 2 VAL HB 2 3 ASN H 4.450 . 4.950 3.865 2.260 4.476 . 0 0 "[ . 1 . 2]" 1
289 2 3 ASN H 2 3 ASN HB2 3.830 . 4.330 2.735 2.268 3.741 . 0 0 "[ . 1 . 2]" 1
290 2 3 ASN H 2 3 ASN HB3 3.830 . 4.330 3.467 2.614 3.927 . 0 0 "[ . 1 . 2]" 1
291 2 3 ASN HA 2 4 GLN H 3.080 . 3.580 2.301 2.108 2.729 . 0 0 "[ . 1 . 2]" 1
292 2 3 ASN QB 2 4 GLN H 4.670 . 5.170 3.021 2.042 3.938 . 0 0 "[ . 1 . 2]" 1
293 2 3 ASN HB2 2 4 GLN H 4.750 . 5.250 3.957 3.017 4.420 . 0 0 "[ . 1 . 2]" 1
294 2 3 ASN HB3 2 4 GLN H 4.750 . 5.250 3.232 2.062 4.475 . 0 0 "[ . 1 . 2]" 1
295 2 4 GLN H 2 4 GLN QB 3.470 . 3.970 2.858 2.497 3.172 . 0 0 "[ . 1 . 2]" 1
296 2 4 GLN H 2 4 GLN QE 5.990 . 6.490 4.601 2.698 5.347 . 0 0 "[ . 1 . 2]" 1
297 2 4 GLN H 2 4 GLN HG2 5.000 . 5.500 3.462 2.029 5.033 . 0 0 "[ . 1 . 2]" 1
298 2 4 GLN H 2 4 GLN QG 4.880 . 5.380 3.110 2.005 4.262 . 0 0 "[ . 1 . 2]" 1
299 2 4 GLN H 2 4 GLN HG3 5.000 . 5.500 3.815 2.871 4.790 . 0 0 "[ . 1 . 2]" 1
300 2 4 GLN H 2 5 HIS H 4.510 . 5.010 4.375 3.003 4.548 . 0 0 "[ . 1 . 2]" 1
301 2 4 GLN H 2 6 LEU CG 7.610 . 8.110 5.764 5.288 6.691 . 0 0 "[ . 1 . 2]" 1
302 2 4 GLN HA 2 4 GLN HG2 4.120 . 4.620 3.648 2.674 3.992 . 0 0 "[ . 1 . 2]" 1
303 2 4 GLN HA 2 4 GLN HG3 4.120 . 4.620 3.520 2.535 4.202 . 0 0 "[ . 1 . 2]" 1
304 2 4 GLN HA 2 5 HIS H 3.570 . 4.070 2.414 2.235 3.572 . 0 0 "[ . 1 . 2]" 1
305 2 4 GLN QB 2 5 HIS H 4.040 . 4.540 2.803 2.304 3.556 . 0 0 "[ . 1 . 2]" 1
306 2 4 GLN QB 2 6 LEU CG 6.890 . 7.390 4.917 3.034 6.134 . 0 0 "[ . 1 . 2]" 1
307 2 4 GLN QG 2 5 HIS H 5.250 . 5.750 3.472 2.293 4.459 . 0 0 "[ . 1 . 2]" 1
308 2 4 GLN QG 2 6 LEU CG 6.730 . 7.230 4.439 3.152 6.021 . 0 0 "[ . 1 . 2]" 1
309 2 4 GLN HG2 2 5 HIS H 5.500 . 6.000 4.420 2.685 5.080 . 0 0 "[ . 1 . 2]" 1
310 2 4 GLN HG3 2 5 HIS H 5.500 . 6.000 3.750 2.355 5.294 . 0 0 "[ . 1 . 2]" 1
311 2 5 HIS H 2 5 HIS HB2 3.940 . 4.440 2.981 2.363 3.681 . 0 0 "[ . 1 . 2]" 1
312 2 5 HIS H 2 5 HIS QB 3.540 . 4.040 2.589 2.332 3.191 . 0 0 "[ . 1 . 2]" 1
313 2 5 HIS H 2 5 HIS HB3 3.940 . 4.440 3.314 2.586 3.940 . 0 0 "[ . 1 . 2]" 1
314 2 5 HIS H 2 5 HIS HD1 5.070 . 5.570 3.312 2.072 5.063 . 0 0 "[ . 1 . 2]" 1
315 2 5 HIS H 2 6 LEU H 4.770 . 5.270 4.525 3.207 4.649 . 0 0 "[ . 1 . 2]" 1
316 2 5 HIS HA 2 6 LEU H 3.310 . 3.810 2.222 2.146 2.488 . 0 0 "[ . 1 . 2]" 1
317 2 5 HIS QB 2 6 LEU H 4.420 . 4.920 2.943 2.524 3.944 . 0 0 "[ . 1 . 2]" 1
318 2 5 HIS HB2 2 6 LEU H 4.540 . 5.040 3.639 2.557 4.510 . 0 0 "[ . 1 . 2]" 1
319 2 5 HIS HB3 2 6 LEU H 4.540 . 5.040 3.436 2.683 4.353 . 0 0 "[ . 1 . 2]" 1
320 2 6 LEU CG 2 7 CYS H 6.530 . 7.030 4.882 4.669 5.021 . 0 0 "[ . 1 . 2]" 1
321 2 6 LEU CG 2 10 HIS H 7.640 . 8.140 6.809 6.006 7.240 . 0 0 "[ . 1 . 2]" 1
322 2 6 LEU CG 2 10 HIS QB 5.950 . 6.450 3.561 2.931 4.074 . 0 0 "[ . 1 . 2]" 1
323 2 6 LEU CG 2 10 HIS HD1 7.640 . 8.140 5.555 5.460 5.795 . 0 0 "[ . 1 . 2]" 1
324 2 6 LEU CG 2 10 HIS HE1 7.640 . 8.140 7.665 7.641 7.678 . 0 0 "[ . 1 . 2]" 1
325 2 6 LEU CG 2 11 LEU H 6.970 . 7.470 5.429 4.916 5.606 . 0 0 "[ . 1 . 2]" 1
326 2 6 LEU CG 2 11 LEU HA 6.290 . 6.790 4.034 3.812 4.212 . 0 0 "[ . 1 . 2]" 1
327 2 6 LEU CG 2 15 LEU H 7.640 . 8.140 7.082 6.714 7.326 . 0 0 "[ . 1 . 2]" 1
328 2 6 LEU H 2 6 LEU HG 4.520 . 5.020 3.487 2.440 4.604 . 0 0 "[ . 1 . 2]" 1
329 2 6 LEU H 2 7 CYS H 4.620 . 5.120 3.885 2.829 4.339 . 0 0 "[ . 1 . 2]" 1
330 2 6 LEU HA 2 6 LEU HG 4.000 . 4.500 3.111 2.706 3.790 . 0 0 "[ . 1 . 2]" 1
331 2 6 LEU HA 2 7 CYS H 2.970 . 3.470 2.241 2.132 2.623 . 0 0 "[ . 1 . 2]" 1
332 2 6 LEU HA 2 10 HIS QB 4.320 . 4.820 2.473 2.088 2.989 . 0 0 "[ . 1 . 2]" 1
333 2 6 LEU HA 2 14 ALA MB 6.610 . 7.110 5.373 4.834 5.524 . 0 0 "[ . 1 . 2]" 1
334 2 6 LEU QB 2 11 LEU HA 4.270 . 4.770 2.448 2.190 3.811 . 0 0 "[ . 1 . 2]" 1
335 2 6 LEU MD1 2 7 CYS H 6.610 . 7.110 5.220 3.976 5.555 . 0 0 "[ . 1 . 2]" 1
336 2 6 LEU MD1 2 11 LEU H 6.610 . 7.110 4.942 4.656 5.508 . 0 0 "[ . 1 . 2]" 1
337 2 6 LEU MD1 2 14 ALA H 6.610 . 7.110 4.170 3.732 5.312 . 0 0 "[ . 1 . 2]" 1
338 2 6 LEU MD1 2 14 ALA MB 5.050 . 5.550 2.241 1.967 3.520 . 0 0 "[ . 1 . 2]" 1
339 2 6 LEU MD2 2 7 CYS H 6.610 . 7.110 4.218 3.719 5.552 . 0 0 "[ . 1 . 2]" 1
340 2 6 LEU MD2 2 11 LEU H 6.610 . 7.110 4.526 3.879 5.528 . 0 0 "[ . 1 . 2]" 1
341 2 6 LEU MD2 2 14 ALA H 6.610 . 7.110 4.237 3.685 5.092 . 0 0 "[ . 1 . 2]" 1
342 2 6 LEU MD2 2 14 ALA MB 5.050 . 5.550 2.695 1.953 3.158 . 0 0 "[ . 1 . 2]" 1
343 2 6 LEU HG 2 11 LEU HA 4.990 . 5.490 4.779 3.204 5.052 . 0 0 "[ . 1 . 2]" 1
344 2 7 CYS H 2 7 CYS QB 3.370 . 3.870 2.526 2.203 3.016 . 0 0 "[ . 1 . 2]" 1
345 2 7 CYS H 2 8 GLY H 4.690 . 5.190 4.511 4.367 4.700 . 0 0 "[ . 1 . 2]" 1
346 2 7 CYS H 2 10 HIS QB 3.890 . 4.390 2.461 2.047 3.480 . 0 0 "[ . 1 . 2]" 1
347 2 7 CYS H 2 10 HIS HD1 5.500 . 6.000 5.735 5.300 6.857 0.857 4 2 "[ +. - 1 . 2]" 1
348 2 7 CYS H 2 11 LEU CG 7.640 . 8.140 6.618 5.663 7.651 . 0 0 "[ . 1 . 2]" 1
349 2 7 CYS H 2 11 LEU H 5.500 . 6.000 4.151 3.425 5.329 . 0 0 "[ . 1 . 2]" 1
350 2 7 CYS H 2 11 LEU QB 5.990 . 6.490 4.319 3.455 5.319 . 0 0 "[ . 1 . 2]" 1
351 2 7 CYS HA 2 8 GLY H 3.260 . 3.760 2.282 2.226 2.405 . 0 0 "[ . 1 . 2]" 1
352 2 7 CYS HA 2 8 GLY HA2 4.610 . 5.110 4.505 4.467 4.595 . 0 0 "[ . 1 . 2]" 1
353 2 7 CYS HA 2 8 GLY HA3 4.610 . 5.110 4.572 4.504 4.623 . 0 0 "[ . 1 . 2]" 1
354 2 7 CYS HA 2 11 LEU CG 7.470 . 7.970 5.254 4.129 6.229 . 0 0 "[ . 1 . 2]" 1
355 2 7 CYS HA 2 11 LEU QB 5.250 . 5.750 3.280 2.581 4.034 . 0 0 "[ . 1 . 2]" 1
356 2 7 CYS QB 2 8 GLY H 4.300 . 4.800 3.535 2.616 3.675 . 0 0 "[ . 1 . 2]" 1
357 2 7 CYS HB2 2 8 GLY H 4.590 . 5.090 4.185 3.155 4.355 . 0 0 "[ . 1 . 2]" 1
358 2 7 CYS HB3 2 8 GLY H 4.590 . 5.090 3.813 2.793 3.997 . 0 0 "[ . 1 . 2]" 1
359 2 8 GLY H 2 11 LEU CG 7.640 . 8.140 5.522 4.900 6.108 . 0 0 "[ . 1 . 2]" 1
360 2 8 GLY H 2 11 LEU H 5.500 . 6.000 4.242 4.038 4.388 . 0 0 "[ . 1 . 2]" 1
361 2 8 GLY H 2 11 LEU HB2 5.500 . 6.000 4.029 3.522 4.275 . 0 0 "[ . 1 . 2]" 1
362 2 8 GLY H 2 11 LEU QB 5.320 . 5.820 3.561 3.196 3.929 . 0 0 "[ . 1 . 2]" 1
363 2 8 GLY H 2 11 LEU HB3 5.500 . 6.000 4.003 3.369 4.689 . 0 0 "[ . 1 . 2]" 1
364 2 8 GLY QA 2 10 HIS H 5.070 . 5.570 3.713 3.643 3.841 . 0 0 "[ . 1 . 2]" 1
365 2 8 GLY QA 2 11 LEU CG 7.110 . 7.610 5.980 5.630 6.182 . 0 0 "[ . 1 . 2]" 1
366 2 8 GLY HA2 2 9 SER H 3.380 . 3.880 3.194 3.065 3.266 . 0 0 "[ . 1 . 2]" 1
367 2 8 GLY HA3 2 9 SER H 3.380 . 3.880 2.185 2.149 2.231 . 0 0 "[ . 1 . 2]" 1
368 2 9 SER H 2 9 SER QB 3.560 . 4.060 2.457 2.199 2.542 . 0 0 "[ . 1 . 2]" 1
369 2 9 SER H 2 10 HIS H 3.620 . 4.120 2.895 2.810 2.956 . 0 0 "[ . 1 . 2]" 1
370 2 9 SER H 2 10 HIS HD1 5.500 . 6.000 7.497 6.839 7.935 1.935 11 20 [******-***+*********] 1
371 2 9 SER H 2 11 LEU H 5.500 . 6.000 4.492 4.394 4.590 . 0 0 "[ . 1 . 2]" 1
372 2 9 SER H 2 12 VAL CB 7.640 . 8.140 6.319 5.982 6.678 . 0 0 "[ . 1 . 2]" 1
373 2 9 SER HA 2 11 LEU H 4.780 . 5.280 4.168 3.946 4.397 . 0 0 "[ . 1 . 2]" 1
374 2 9 SER HA 2 12 VAL CB 5.810 . 6.310 3.718 3.445 4.163 . 0 0 "[ . 1 . 2]" 1
375 2 9 SER HA 2 12 VAL H 4.100 . 4.600 3.328 3.140 3.639 . 0 0 "[ . 1 . 2]" 1
376 2 9 SER HA 2 12 VAL HB 3.400 . 3.900 2.991 2.557 3.374 . 0 0 "[ . 1 . 2]" 1
377 2 9 SER QB 2 10 HIS H 4.500 . 5.000 3.254 2.701 3.658 . 0 0 "[ . 1 . 2]" 1
378 2 9 SER QB 2 10 HIS HA 5.700 . 6.200 4.342 4.002 4.546 . 0 0 "[ . 1 . 2]" 1
379 2 9 SER QB 2 12 VAL CB 7.410 . 7.910 5.141 4.675 5.769 . 0 0 "[ . 1 . 2]" 1
380 2 9 SER QB 2 12 VAL H 6.170 . 6.670 4.890 4.694 5.161 . 0 0 "[ . 1 . 2]" 1
381 2 10 HIS H 2 10 HIS HB2 3.710 . 4.210 2.353 2.159 2.520 . 0 0 "[ . 1 . 2]" 1
382 2 10 HIS H 2 10 HIS QB 3.420 . 3.920 2.321 2.139 2.474 . 0 0 "[ . 1 . 2]" 1
383 2 10 HIS H 2 10 HIS HB3 3.710 . 4.210 3.560 3.460 3.614 . 0 0 "[ . 1 . 2]" 1
384 2 10 HIS H 2 10 HIS HD1 5.110 . 5.610 4.775 4.346 5.078 . 0 0 "[ . 1 . 2]" 1
385 2 10 HIS H 2 11 LEU CG 7.640 . 8.140 6.793 6.723 6.884 . 0 0 "[ . 1 . 2]" 1
386 2 10 HIS H 2 11 LEU H 3.330 . 3.830 2.770 2.721 2.843 . 0 0 "[ . 1 . 2]" 1
387 2 10 HIS H 2 12 VAL H 4.680 . 5.180 4.358 4.230 4.505 . 0 0 "[ . 1 . 2]" 1
388 2 10 HIS HA 2 10 HIS HD1 4.840 . 5.340 2.967 2.532 3.077 . 0 0 "[ . 1 . 2]" 1
389 2 10 HIS HA 2 10 HIS HE1 5.500 . 6.000 4.964 4.788 5.042 . 0 0 "[ . 1 . 2]" 1
390 2 10 HIS HA 2 13 GLU H 4.000 . 4.500 3.525 3.139 3.718 . 0 0 "[ . 1 . 2]" 1
391 2 10 HIS HA 2 13 GLU HB2 4.020 . 4.520 3.297 2.387 3.891 . 0 0 "[ . 1 . 2]" 1
392 2 10 HIS HA 2 13 GLU QB 3.950 . 4.450 2.534 2.163 2.746 . 0 0 "[ . 1 . 2]" 1
393 2 10 HIS HA 2 13 GLU HB3 4.020 . 4.520 2.980 2.216 4.044 . 0 0 "[ . 1 . 2]" 1
394 2 10 HIS HA 2 14 ALA H 5.170 . 5.670 4.231 3.919 4.482 . 0 0 "[ . 1 . 2]" 1
395 2 10 HIS HA 2 14 ALA MB 6.610 . 7.110 4.706 4.439 4.973 . 0 0 "[ . 1 . 2]" 1
396 2 10 HIS QB 2 11 LEU H 4.530 . 5.030 2.771 2.658 3.047 . 0 0 "[ . 1 . 2]" 1
397 2 10 HIS HB2 2 11 LEU H 4.730 . 5.230 2.886 2.734 3.164 . 0 0 "[ . 1 . 2]" 1
398 2 10 HIS HB3 2 11 LEU H 4.730 . 5.230 3.608 3.197 3.979 . 0 0 "[ . 1 . 2]" 1
399 2 11 LEU CG 2 12 VAL H 6.500 . 7.000 3.988 3.846 4.163 . 0 0 "[ . 1 . 2]" 1
400 2 11 LEU CG 2 13 GLU H 7.640 . 8.140 6.123 6.000 6.344 . 0 0 "[ . 1 . 2]" 1
401 2 11 LEU CG 2 15 LEU CG 8.310 . 8.810 4.805 4.409 5.316 . 0 0 "[ . 1 . 2]" 1
402 2 11 LEU CG 2 15 LEU H 7.640 . 8.140 5.088 4.762 5.571 . 0 0 "[ . 1 . 2]" 1
403 2 11 LEU H 2 11 LEU HB2 3.700 . 4.200 2.566 2.340 2.709 . 0 0 "[ . 1 . 2]" 1
404 2 11 LEU H 2 11 LEU HB3 3.700 . 4.200 2.425 2.270 2.604 . 0 0 "[ . 1 . 2]" 1
405 2 11 LEU H 2 11 LEU HG 4.670 . 5.170 4.477 4.426 4.556 . 0 0 "[ . 1 . 2]" 1
406 2 11 LEU H 2 12 VAL CB 7.110 . 7.610 5.182 5.078 5.322 . 0 0 "[ . 1 . 2]" 1
407 2 11 LEU H 2 12 VAL H 3.390 . 3.890 2.622 2.538 2.775 . 0 0 "[ . 1 . 2]" 1
408 2 11 LEU H 2 14 ALA H 5.400 . 5.900 4.711 4.549 4.815 . 0 0 "[ . 1 . 2]" 1
409 2 11 LEU HA 2 11 LEU HG 3.880 . 4.380 2.990 2.459 3.816 . 0 0 "[ . 1 . 2]" 1
410 2 11 LEU HA 2 14 ALA H 4.310 . 4.810 3.412 3.098 3.733 . 0 0 "[ . 1 . 2]" 1
411 2 11 LEU HA 2 14 ALA MB 4.070 . 4.570 2.688 2.388 2.982 . 0 0 "[ . 1 . 2]" 1
412 2 11 LEU HA 2 15 LEU CG 7.640 . 8.140 5.453 5.231 5.857 . 0 0 "[ . 1 . 2]" 1
413 2 11 LEU QB 2 12 VAL H 4.130 . 4.630 2.518 2.406 2.686 . 0 0 "[ . 1 . 2]" 1
414 2 11 LEU HB2 2 12 VAL H 4.210 . 4.710 3.875 3.701 4.031 . 0 0 "[ . 1 . 2]" 1
415 2 11 LEU HB3 2 12 VAL H 4.210 . 4.710 2.551 2.438 2.730 . 0 0 "[ . 1 . 2]" 1
416 2 11 LEU MD1 2 12 VAL H 5.930 . 6.430 4.207 2.911 4.940 . 0 0 "[ . 1 . 2]" 1
417 2 11 LEU MD1 2 14 ALA H 6.610 . 7.110 5.273 4.565 5.549 . 0 0 "[ . 1 . 2]" 1
418 2 11 LEU MD2 2 12 VAL H 5.930 . 6.430 3.723 2.980 4.718 . 0 0 "[ . 1 . 2]" 1
419 2 11 LEU MD2 2 14 ALA H 6.610 . 7.110 5.194 4.401 5.542 . 0 0 "[ . 1 . 2]" 1
420 2 11 LEU HG 2 12 VAL H 5.170 . 5.670 4.278 3.942 4.713 . 0 0 "[ . 1 . 2]" 1
421 2 11 LEU HG 2 12 VAL HA 5.500 . 6.000 4.692 4.019 5.550 . 0 0 "[ . 1 . 2]" 1
422 2 11 LEU HG 2 15 LEU CG 6.160 . 6.660 4.502 3.445 6.163 . 0 0 "[ . 1 . 2]" 1
423 2 12 VAL CB 2 13 GLU H 5.680 . 6.180 3.204 3.147 3.257 . 0 0 "[ . 1 . 2]" 1
424 2 12 VAL CB 2 13 GLU HA 5.700 . 6.200 4.778 4.744 4.810 . 0 0 "[ . 1 . 2]" 1
425 2 12 VAL CB 2 13 GLU QG 7.780 . 8.280 6.026 4.429 6.668 . 0 0 "[ . 1 . 2]" 1
426 2 12 VAL CB 2 14 ALA H 7.310 . 7.810 5.135 5.041 5.224 . 0 0 "[ . 1 . 2]" 1
427 2 12 VAL CB 2 15 LEU CG 7.790 . 8.290 5.741 5.066 5.842 . 0 0 "[ . 1 . 2]" 1
428 2 12 VAL CB 2 16 TYR H 6.370 . 6.870 5.128 5.059 5.370 . 0 0 "[ . 1 . 2]" 1
429 2 12 VAL CB 2 16 TYR QB 6.640 . 7.140 4.980 4.941 5.044 . 0 0 "[ . 1 . 2]" 1
430 2 12 VAL CB 2 16 TYR QD 7.680 . 8.180 6.861 6.848 6.873 . 0 0 "[ . 1 . 2]" 1
431 2 12 VAL CB 2 26 TYR QD 7.970 . 8.470 4.903 4.154 6.208 . 0 0 "[ . 1 . 2]" 1
432 2 12 VAL H 2 12 VAL HB 3.330 . 3.830 2.775 2.569 2.888 . 0 0 "[ . 1 . 2]" 1
433 2 12 VAL H 2 13 GLU H 3.720 . 4.220 2.788 2.739 2.875 . 0 0 "[ . 1 . 2]" 1
434 2 12 VAL H 2 14 ALA H 5.270 . 5.770 4.137 4.058 4.265 . 0 0 "[ . 1 . 2]" 1
435 2 12 VAL HA 2 14 ALA H 5.500 . 6.000 4.208 4.031 4.378 . 0 0 "[ . 1 . 2]" 1
436 2 12 VAL HA 2 15 LEU CG 6.240 . 6.740 3.632 3.024 3.700 . 0 0 "[ . 1 . 2]" 1
437 2 12 VAL HA 2 15 LEU H 4.190 . 4.690 3.325 3.244 3.640 . 0 0 "[ . 1 . 2]" 1
438 2 12 VAL HA 2 15 LEU QB 4.770 . 5.270 2.664 2.467 4.246 . 0 0 "[ . 1 . 2]" 1
439 2 12 VAL HA 2 15 LEU MD1 5.630 . 6.130 2.410 2.205 3.101 . 0 0 "[ . 1 . 2]" 1
440 2 12 VAL HA 2 15 LEU MD2 5.630 . 6.130 4.571 2.305 4.715 . 0 0 "[ . 1 . 2]" 1
441 2 12 VAL HA 2 15 LEU HG 5.500 . 6.000 3.415 2.292 3.644 . 0 0 "[ . 1 . 2]" 1
442 2 12 VAL HB 2 13 GLU H 3.190 . 3.690 2.764 2.679 2.830 . 0 0 "[ . 1 . 2]" 1
443 2 12 VAL HB 2 16 TYR QB 6.170 . 6.670 5.046 4.895 5.268 . 0 0 "[ . 1 . 2]" 1
444 2 12 VAL MG1 2 13 GLU H 5.580 . 6.080 3.783 3.573 3.907 . 0 0 "[ . 1 . 2]" 1
445 2 12 VAL MG2 2 13 GLU H 5.580 . 6.080 3.789 3.676 3.979 . 0 0 "[ . 1 . 2]" 1
446 2 13 GLU H 2 13 GLU HB2 3.790 . 4.290 2.460 2.301 2.538 . 0 0 "[ . 1 . 2]" 1
447 2 13 GLU H 2 13 GLU QB 3.710 . 4.210 2.219 2.166 2.369 . 0 0 "[ . 1 . 2]" 1
448 2 13 GLU H 2 13 GLU HB3 3.290 . 3.790 2.709 2.382 3.593 . 0 0 "[ . 1 . 2]" 1
449 2 13 GLU H 2 13 GLU QG 4.710 . 5.210 3.602 2.336 4.006 . 0 0 "[ . 1 . 2]" 1
450 2 13 GLU H 2 14 ALA H 3.200 . 3.700 2.764 2.742 2.785 . 0 0 "[ . 1 . 2]" 1
451 2 13 GLU H 2 14 ALA MB 5.310 . 5.810 4.431 4.423 4.442 . 0 0 "[ . 1 . 2]" 1
452 2 13 GLU H 2 15 LEU CG 7.640 . 8.140 6.440 5.904 6.552 . 0 0 "[ . 1 . 2]" 1
453 2 13 GLU HA 2 16 TYR H 3.690 . 4.190 3.613 3.487 3.713 . 0 0 "[ . 1 . 2]" 1
454 2 13 GLU HA 2 16 TYR QB 3.750 . 4.250 2.345 2.159 2.551 . 0 0 "[ . 1 . 2]" 1
455 2 13 GLU HA 2 16 TYR QD 5.300 . 5.800 3.370 2.918 3.713 . 0 0 "[ . 1 . 2]" 1
456 2 13 GLU QB 2 14 ALA H 4.040 . 4.540 2.785 2.628 2.956 . 0 0 "[ . 1 . 2]" 1
457 2 13 GLU QB 2 16 TYR QB 6.510 . 7.010 4.246 3.964 4.466 . 0 0 "[ . 1 . 2]" 1
458 2 13 GLU HB2 2 14 ALA H 4.140 . 4.640 3.782 2.805 4.134 . 0 0 "[ . 1 . 2]" 1
459 2 13 GLU HB3 2 14 ALA H 4.140 . 4.640 3.042 2.666 3.794 . 0 0 "[ . 1 . 2]" 1
460 2 13 GLU QG 2 14 ALA H 5.720 . 6.220 3.898 3.652 4.445 . 0 0 "[ . 1 . 2]" 1
461 2 13 GLU QG 2 16 TYR QB 6.720 . 7.220 4.191 3.622 4.755 . 0 0 "[ . 1 . 2]" 1
462 2 14 ALA H 2 15 LEU H 3.520 . 4.020 2.684 2.535 2.803 . 0 0 "[ . 1 . 2]" 1
463 2 14 ALA H 2 16 TYR H 4.620 . 5.120 4.071 3.919 4.264 . 0 0 "[ . 1 . 2]" 1
464 2 14 ALA H 2 16 TYR QB 6.010 . 6.510 4.557 4.375 4.778 . 0 0 "[ . 1 . 2]" 1
465 2 14 ALA HA 2 17 LEU HB2 3.570 . 4.070 3.744 3.415 4.121 0.051 6 0 "[ . 1 . 2]" 1
466 2 14 ALA HA 2 18 VAL CB 6.380 . 6.880 5.508 5.315 5.662 . 0 0 "[ . 1 . 2]" 1
467 2 14 ALA HA 2 18 VAL H 4.520 . 5.020 3.968 3.829 4.078 . 0 0 "[ . 1 . 2]" 1
468 2 14 ALA MB 2 15 LEU H 3.360 . 3.860 2.582 2.523 2.665 . 0 0 "[ . 1 . 2]" 1
469 2 14 ALA MB 2 16 TYR QB 7.410 . 7.910 5.286 5.178 5.410 . 0 0 "[ . 1 . 2]" 1
470 2 14 ALA MB 2 18 VAL H 5.800 . 6.300 4.513 4.371 4.606 . 0 0 "[ . 1 . 2]" 1
471 2 15 LEU CG 2 17 LEU H 7.560 . 8.060 6.211 5.657 6.332 . 0 0 "[ . 1 . 2]" 1
472 2 15 LEU CG 2 18 VAL H 7.640 . 8.140 6.150 5.984 6.279 . 0 0 "[ . 1 . 2]" 1
473 2 15 LEU CG 2 18 VAL HB 7.030 . 7.530 5.198 4.894 5.621 . 0 0 "[ . 1 . 2]" 1
474 2 15 LEU CG 2 24 PHE H 7.640 . 8.140 7.325 6.723 7.678 . 0 0 "[ . 1 . 2]" 1
475 2 15 LEU CG 2 24 PHE HA 7.640 . 8.140 6.739 6.423 7.162 . 0 0 "[ . 1 . 2]" 1
476 2 15 LEU CG 2 24 PHE QD 6.900 . 7.400 4.355 4.154 4.756 . 0 0 "[ . 1 . 2]" 1
477 2 15 LEU CG 2 24 PHE QE 8.310 . 8.810 4.967 4.682 5.458 . 0 0 "[ . 1 . 2]" 1
478 2 15 LEU CG 2 26 TYR H 7.640 . 8.140 6.449 5.009 7.385 . 0 0 "[ . 1 . 2]" 1
479 2 15 LEU CG 2 26 TYR QB 6.600 . 7.100 4.487 4.103 5.067 . 0 0 "[ . 1 . 2]" 1
480 2 15 LEU CG 2 26 TYR QD 7.800 . 8.300 4.813 4.350 6.621 . 0 0 "[ . 1 . 2]" 1
481 2 15 LEU H 2 15 LEU QB 3.060 . 3.560 2.445 2.366 2.544 . 0 0 "[ . 1 . 2]" 1
482 2 15 LEU H 2 15 LEU MD1 5.370 . 5.870 3.546 3.423 3.807 . 0 0 "[ . 1 . 2]" 1
483 2 15 LEU H 2 15 LEU MD2 5.370 . 5.870 3.517 3.105 3.643 . 0 0 "[ . 1 . 2]" 1
484 2 15 LEU H 2 15 LEU HG 3.300 . 3.800 2.304 2.237 2.378 . 0 0 "[ . 1 . 2]" 1
485 2 15 LEU H 2 16 TYR H 3.740 . 4.240 2.753 2.720 2.779 . 0 0 "[ . 1 . 2]" 1
486 2 15 LEU H 2 16 TYR QB 5.290 . 5.790 4.348 4.288 4.422 . 0 0 "[ . 1 . 2]" 1
487 2 15 LEU HA 2 16 TYR HA 5.190 . 5.690 4.861 4.791 4.918 . 0 0 "[ . 1 . 2]" 1
488 2 15 LEU HA 2 16 TYR QB 5.860 . 6.360 5.166 5.126 5.194 . 0 0 "[ . 1 . 2]" 1
489 2 15 LEU HA 2 17 LEU H 4.430 . 4.930 4.192 3.951 4.346 . 0 0 "[ . 1 . 2]" 1
490 2 15 LEU HA 2 18 VAL H 3.850 . 4.350 3.463 3.238 3.612 . 0 0 "[ . 1 . 2]" 1
491 2 15 LEU HA 2 18 VAL HB 3.410 . 3.910 2.483 2.206 2.673 . 0 0 "[ . 1 . 2]" 1
492 2 15 LEU HA 2 19 CYS H 4.050 . 4.550 3.437 3.178 3.761 . 0 0 "[ . 1 . 2]" 1
493 2 15 LEU HA 2 19 CYS QB 5.990 . 6.490 4.073 3.534 4.402 . 0 0 "[ . 1 . 2]" 1
494 2 15 LEU QB 2 16 TYR H 4.270 . 4.770 2.483 2.342 3.660 . 0 0 "[ . 1 . 2]" 1
495 2 15 LEU HB2 2 16 TYR H 4.330 . 4.830 2.552 2.390 4.061 . 0 0 "[ . 1 . 2]" 1
496 2 15 LEU HB3 2 16 TYR H 4.330 . 4.830 3.488 3.369 4.159 . 0 0 "[ . 1 . 2]" 1
497 2 15 LEU MD1 2 16 TYR H 6.610 . 7.110 4.290 2.819 4.559 . 0 0 "[ . 1 . 2]" 1
498 2 15 LEU MD1 2 19 CYS H 7.610 . 8.110 6.126 4.639 6.367 . 0 0 "[ . 1 . 2]" 1
499 2 15 LEU MD1 2 24 PHE QD 7.130 . 7.630 2.790 2.492 3.074 . 0 0 "[ . 1 . 2]" 1
500 2 15 LEU MD1 2 26 TYR HB2 7.290 . 7.790 3.643 3.223 4.142 . 0 0 "[ . 1 . 2]" 1
501 2 15 LEU MD1 2 26 TYR HB3 7.290 . 7.790 2.436 2.140 2.914 . 0 0 "[ . 1 . 2]" 1
502 2 15 LEU MD2 2 16 TYR H 6.610 . 7.110 4.671 4.143 4.743 . 0 0 "[ . 1 . 2]" 1
503 2 15 LEU MD2 2 19 CYS H 7.610 . 8.110 4.697 4.348 6.377 . 0 0 "[ . 1 . 2]" 1
504 2 15 LEU MD2 2 24 PHE QD 7.130 . 7.630 3.808 3.457 4.450 . 0 0 "[ . 1 . 2]" 1
505 2 15 LEU MD2 2 26 TYR HB2 7.290 . 7.790 5.450 4.262 6.086 . 0 0 "[ . 1 . 2]" 1
506 2 15 LEU MD2 2 26 TYR HB3 7.290 . 7.790 4.306 3.580 5.201 . 0 0 "[ . 1 . 2]" 1
507 2 15 LEU HG 2 16 TYR H 4.300 . 4.800 4.256 2.483 4.366 . 0 0 "[ . 1 . 2]" 1
508 2 16 TYR H 2 16 TYR QB 3.300 . 3.800 2.162 2.121 2.198 . 0 0 "[ . 1 . 2]" 1
509 2 16 TYR H 2 16 TYR QD 4.800 . 5.300 4.099 4.043 4.150 . 0 0 "[ . 1 . 2]" 1
510 2 16 TYR H 2 17 LEU H 3.770 . 4.270 2.918 2.795 3.012 . 0 0 "[ . 1 . 2]" 1
511 2 16 TYR H 2 17 LEU HB2 5.500 . 6.000 5.303 5.156 5.462 . 0 0 "[ . 1 . 2]" 1
512 2 16 TYR H 2 18 VAL H 4.450 . 4.950 4.372 4.222 4.471 . 0 0 "[ . 1 . 2]" 1
513 2 16 TYR H 2 19 CYS H 5.500 . 6.000 4.873 4.814 4.949 . 0 0 "[ . 1 . 2]" 1
514 2 16 TYR H 2 20 GLY H 5.500 . 6.000 5.534 5.501 5.556 . 0 0 "[ . 1 . 2]" 1
515 2 16 TYR HA 2 16 TYR QD 3.780 . 4.280 3.057 2.778 3.208 . 0 0 "[ . 1 . 2]" 1
516 2 16 TYR HA 2 18 VAL H 5.500 . 6.000 4.695 4.510 4.873 . 0 0 "[ . 1 . 2]" 1
517 2 16 TYR HA 2 19 CYS H 4.730 . 5.230 4.120 3.752 4.419 . 0 0 "[ . 1 . 2]" 1
518 2 16 TYR HA 2 19 CYS QB 5.790 . 6.290 3.935 3.259 4.348 . 0 0 "[ . 1 . 2]" 1
519 2 16 TYR HA 2 20 GLY H 4.370 . 4.870 3.612 3.335 3.843 . 0 0 "[ . 1 . 2]" 1
520 2 16 TYR HA 2 24 PHE QD 5.250 . 5.750 4.513 4.079 4.713 . 0 0 "[ . 1 . 2]" 1
521 2 16 TYR QB 2 17 LEU H 3.770 . 4.270 3.013 2.944 3.133 . 0 0 "[ . 1 . 2]" 1
522 2 16 TYR QB 2 17 LEU HB3 4.930 . 5.430 4.867 4.749 4.977 . 0 0 "[ . 1 . 2]" 1
523 2 16 TYR QB 2 18 VAL H 6.170 . 6.670 5.009 4.893 5.175 . 0 0 "[ . 1 . 2]" 1
524 2 16 TYR QB 2 24 PHE QD 6.580 . 7.080 5.170 4.799 5.255 . 0 0 "[ . 1 . 2]" 1
525 2 16 TYR QD 2 17 LEU CG 8.160 . 8.660 5.170 4.852 5.746 . 0 0 "[ . 1 . 2]" 1
526 2 16 TYR QD 2 17 LEU H 5.240 . 5.740 3.296 2.951 3.867 . 0 0 "[ . 1 . 2]" 1
527 2 16 TYR QD 2 17 LEU HA 5.690 . 6.190 3.739 3.481 4.359 . 0 0 "[ . 1 . 2]" 1
528 2 16 TYR QD 2 17 LEU HB3 5.850 . 6.350 4.392 3.999 5.019 . 0 0 "[ . 1 . 2]" 1
529 2 16 TYR QD 2 20 GLY QA 6.780 . 7.280 4.837 3.982 5.293 . 0 0 "[ . 1 . 2]" 1
530 2 16 TYR QE 2 17 LEU HA 6.170 . 6.670 4.521 4.269 5.083 . 0 0 "[ . 1 . 2]" 1
531 2 16 TYR QE 2 21 GLU HA 6.170 . 6.670 4.992 3.711 5.506 . 0 0 "[ . 1 . 2]" 1
532 2 17 LEU CG 2 18 VAL H 6.990 . 7.490 4.051 3.978 4.163 . 0 0 "[ . 1 . 2]" 1
533 2 17 LEU H 2 17 LEU HB2 3.690 . 4.190 2.659 2.590 2.733 . 0 0 "[ . 1 . 2]" 1
534 2 17 LEU H 2 17 LEU HB3 3.150 . 3.650 2.324 2.263 2.356 . 0 0 "[ . 1 . 2]" 1
535 2 17 LEU H 2 18 VAL CB 6.810 . 7.310 4.802 4.753 4.848 . 0 0 "[ . 1 . 2]" 1
536 2 17 LEU H 2 18 VAL H 3.730 . 4.230 2.374 2.301 2.452 . 0 0 "[ . 1 . 2]" 1
537 2 17 LEU H 2 18 VAL MG1 6.610 . 7.110 5.543 5.524 5.557 . 0 0 "[ . 1 . 2]" 1
538 2 17 LEU H 2 18 VAL MG2 6.610 . 7.110 4.103 3.915 4.218 . 0 0 "[ . 1 . 2]" 1
539 2 17 LEU H 2 19 CYS H 5.060 . 5.560 4.119 3.848 4.272 . 0 0 "[ . 1 . 2]" 1
540 2 17 LEU HA 2 19 CYS H 5.500 . 6.000 4.861 4.608 5.065 . 0 0 "[ . 1 . 2]" 1
541 2 17 LEU HA 2 20 GLY H 4.970 . 5.470 3.829 3.619 4.063 . 0 0 "[ . 1 . 2]" 1
542 2 17 LEU HB2 2 18 VAL H 3.950 . 4.450 3.930 3.856 3.973 . 0 0 "[ . 1 . 2]" 1
543 2 17 LEU HB3 2 18 VAL H 4.180 . 4.680 2.653 2.542 2.727 . 0 0 "[ . 1 . 2]" 1
544 2 17 LEU HB3 2 18 VAL HA 6.000 . 6.500 4.519 4.456 4.623 . 0 0 "[ . 1 . 2]" 1
545 2 17 LEU HB3 2 19 CYS H 6.500 . 7.000 5.277 5.092 5.434 . 0 0 "[ . 1 . 2]" 1
546 2 18 VAL CB 2 19 CYS HA 6.700 . 7.200 4.715 4.628 4.847 . 0 0 "[ . 1 . 2]" 1
547 2 18 VAL H 2 18 VAL HB 3.100 . 3.600 2.254 2.204 2.375 . 0 0 "[ . 1 . 2]" 1
548 2 18 VAL H 2 18 VAL MG1 4.520 . 5.020 3.697 3.667 3.746 . 0 0 "[ . 1 . 2]" 1
549 2 18 VAL H 2 18 VAL MG2 4.520 . 5.020 2.396 2.243 2.461 . 0 0 "[ . 1 . 2]" 1
550 2 18 VAL H 2 19 CYS H 3.360 . 3.860 2.752 2.675 2.838 . 0 0 "[ . 1 . 2]" 1
551 2 18 VAL H 2 20 GLY H 4.700 . 5.200 3.896 3.715 4.138 . 0 0 "[ . 1 . 2]" 1
552 2 18 VAL HB 2 19 CYS H 3.600 . 4.100 2.606 2.493 2.760 . 0 0 "[ . 1 . 2]" 1
553 2 18 VAL HB 2 20 GLY H 5.310 . 5.810 4.819 4.700 5.030 . 0 0 "[ . 1 . 2]" 1
554 2 18 VAL MG1 2 19 CYS H 5.010 . 5.510 3.062 2.900 3.398 . 0 0 "[ . 1 . 2]" 1
555 2 18 VAL MG2 2 19 CYS H 5.010 . 5.510 4.022 3.952 4.092 . 0 0 "[ . 1 . 2]" 1
556 2 19 CYS H 2 19 CYS HB2 3.690 . 4.190 2.429 2.311 2.558 . 0 0 "[ . 1 . 2]" 1
557 2 19 CYS H 2 19 CYS QB 3.580 . 4.080 2.341 2.141 2.454 . 0 0 "[ . 1 . 2]" 1
558 2 19 CYS H 2 19 CYS HB3 3.690 . 4.190 3.312 2.387 3.662 . 0 0 "[ . 1 . 2]" 1
559 2 19 CYS H 2 20 GLY H 3.380 . 3.880 2.451 2.382 2.558 . 0 0 "[ . 1 . 2]" 1
560 2 19 CYS H 2 21 GLU H 5.500 . 6.000 4.613 3.933 5.524 . 0 0 "[ . 1 . 2]" 1
561 2 19 CYS H 2 22 ARG QB 7.170 . 7.670 5.564 5.097 6.397 . 0 0 "[ . 1 . 2]" 1
562 2 19 CYS HA 2 22 ARG QB 6.170 . 6.670 4.096 3.556 4.745 . 0 0 "[ . 1 . 2]" 1
563 2 19 CYS QB 2 20 GLY H 4.310 . 4.810 3.077 2.691 3.533 . 0 0 "[ . 1 . 2]" 1
564 2 19 CYS QB 2 20 GLY QA 5.670 . 6.170 4.234 3.957 4.428 . 0 0 "[ . 1 . 2]" 1
565 2 19 CYS QB 2 21 GLU HA 5.990 . 6.490 4.568 3.820 5.244 . 0 0 "[ . 1 . 2]" 1
566 2 19 CYS QB 2 22 ARG H 5.530 . 6.030 3.094 2.739 3.868 . 0 0 "[ . 1 . 2]" 1
567 2 19 CYS QB 2 22 ARG QB 6.430 . 6.930 2.778 2.132 3.780 . 0 0 "[ . 1 . 2]" 1
568 2 19 CYS QB 2 23 GLY H 4.190 . 4.690 3.720 3.404 3.812 . 0 0 "[ . 1 . 2]" 1
569 2 19 CYS QB 2 23 GLY QA 7.030 . 7.530 5.217 4.711 5.546 . 0 0 "[ . 1 . 2]" 1
570 2 19 CYS QB 2 24 PHE QD 6.730 . 7.230 2.241 2.061 2.656 . 0 0 "[ . 1 . 2]" 1
571 2 19 CYS HB2 2 20 GLY H 4.700 . 5.200 3.483 2.749 4.157 . 0 0 "[ . 1 . 2]" 1
572 2 19 CYS HB3 2 20 GLY H 4.700 . 5.200 3.781 2.868 4.335 . 0 0 "[ . 1 . 2]" 1
573 2 20 GLY H 2 21 GLU H 4.150 . 4.650 2.896 2.439 3.929 . 0 0 "[ . 1 . 2]" 1
574 2 20 GLY QA 2 21 GLU H 3.430 . 3.930 2.572 2.324 2.770 . 0 0 "[ . 1 . 2]" 1
575 2 20 GLY QA 2 21 GLU HA 6.080 . 6.580 4.398 4.137 4.541 . 0 0 "[ . 1 . 2]" 1
576 2 20 GLY QA 2 21 GLU QG 6.700 . 7.200 4.295 3.210 5.340 . 0 0 "[ . 1 . 2]" 1
577 2 20 GLY QA 2 22 ARG H 5.160 . 5.660 3.801 3.537 4.203 . 0 0 "[ . 1 . 2]" 1
578 2 21 GLU H 2 22 ARG H 3.690 . 4.190 2.760 1.883 3.157 . 0 0 "[ . 1 . 2]" 1
579 2 21 GLU H 2 23 GLY H 5.040 . 5.540 4.767 4.210 5.080 . 0 0 "[ . 1 . 2]" 1
580 2 21 GLU HA 2 23 GLY H 4.700 . 5.200 3.745 3.295 4.108 . 0 0 "[ . 1 . 2]" 1
581 2 22 ARG H 2 22 ARG QB 3.740 . 4.240 2.225 2.056 2.559 . 0 0 "[ . 1 . 2]" 1
582 2 22 ARG H 2 22 ARG QG 4.690 . 5.190 3.343 2.169 4.039 . 0 0 "[ . 1 . 2]" 1
583 2 22 ARG H 2 23 GLY H 4.030 . 4.530 2.897 2.691 3.092 . 0 0 "[ . 1 . 2]" 1
584 2 22 ARG QB 2 23 GLY H 4.590 . 5.090 3.011 2.570 3.543 . 0 0 "[ . 1 . 2]" 1
585 2 22 ARG QG 2 23 GLY H 5.310 . 5.810 4.009 2.289 4.659 . 0 0 "[ . 1 . 2]" 1
586 2 23 GLY H 2 24 PHE QD 4.410 . 4.910 3.257 2.875 3.697 . 0 0 "[ . 1 . 2]" 1
587 2 23 GLY H 2 24 PHE QE 5.620 . 6.120 3.544 3.028 4.228 . 0 0 "[ . 1 . 2]" 1
588 2 23 GLY HA2 2 24 PHE QD 6.170 . 6.670 4.610 3.719 5.205 . 0 0 "[ . 1 . 2]" 1
589 2 23 GLY HA3 2 24 PHE QD 6.170 . 6.670 5.067 4.529 5.530 . 0 0 "[ . 1 . 2]" 1
590 2 24 PHE H 2 24 PHE HB2 4.080 . 4.580 3.814 3.537 4.085 . 0 0 "[ . 1 . 2]" 1
591 2 24 PHE H 2 24 PHE HB3 4.080 . 4.580 3.168 2.750 3.866 . 0 0 "[ . 1 . 2]" 1
592 2 24 PHE H 2 25 PHE H 5.500 . 6.000 4.486 4.109 4.673 . 0 0 "[ . 1 . 2]" 1
593 2 24 PHE HA 2 25 PHE H 3.280 . 3.780 2.241 2.069 2.399 . 0 0 "[ . 1 . 2]" 1
594 2 24 PHE QD 2 25 PHE H 5.380 . 5.880 4.179 3.825 4.349 . 0 0 "[ . 1 . 2]" 1
595 2 24 PHE QD 2 25 PHE QB 6.730 . 7.230 5.274 4.680 5.389 . 0 0 "[ . 1 . 2]" 1
596 2 24 PHE QD 2 26 TYR H 5.420 . 5.920 4.145 2.703 4.861 . 0 0 "[ . 1 . 2]" 1
597 2 25 PHE H 2 25 PHE QD 5.010 . 5.510 4.095 2.910 4.458 . 0 0 "[ . 1 . 2]" 1
598 2 25 PHE H 2 26 TYR H 4.500 . 5.000 3.891 2.592 4.444 . 0 0 "[ . 1 . 2]" 1
599 2 25 PHE H 2 26 TYR QD 6.170 . 6.670 4.899 4.211 5.475 . 0 0 "[ . 1 . 2]" 1
600 2 25 PHE HA 2 26 TYR H 3.320 . 3.820 2.221 2.039 3.322 . 0 0 "[ . 1 . 2]" 1
601 2 25 PHE HA 2 26 TYR QD 4.850 . 5.350 3.772 3.198 4.329 . 0 0 "[ . 1 . 2]" 1
602 2 25 PHE QB 2 26 TYR H 4.700 . 5.200 3.744 2.757 4.032 . 0 0 "[ . 1 . 2]" 1
603 2 25 PHE QB 2 27 THR H 5.470 . 5.970 4.302 3.555 4.884 . 0 0 "[ . 1 . 2]" 1
604 2 25 PHE QD 2 27 THR H 6.170 . 6.670 3.530 2.459 4.130 . 0 0 "[ . 1 . 2]" 1
605 2 26 TYR H 2 26 TYR QD 4.730 . 5.230 2.676 2.324 3.676 . 0 0 "[ . 1 . 2]" 1
606 2 26 TYR H 2 26 TYR QE 6.170 . 6.670 4.000 3.681 5.247 . 0 0 "[ . 1 . 2]" 1
607 2 26 TYR HA 2 27 THR H 3.360 . 3.860 2.713 2.083 3.373 . 0 0 "[ . 1 . 2]" 1
608 2 26 TYR QD 2 27 THR H 6.170 . 6.670 4.554 3.495 5.028 . 0 0 "[ . 1 . 2]" 1
609 2 27 THR H 2 27 THR HB 3.660 . 4.160 3.093 2.293 3.744 . 0 0 "[ . 1 . 2]" 1
610 2 28 PRO HA 2 29 LYS QB 5.940 . 6.440 4.369 3.947 5.185 . 0 0 "[ . 1 . 2]" 1
611 2 28 PRO QB 2 29 LYS H 4.340 . 4.840 2.978 2.344 3.728 . 0 0 "[ . 1 . 2]" 1
612 2 29 LYS H 2 29 LYS HB2 4.140 . 4.640 3.117 2.304 3.926 . 0 0 "[ . 1 . 2]" 1
613 2 29 LYS H 2 29 LYS HB3 4.140 . 4.640 2.757 2.324 3.786 . 0 0 "[ . 1 . 2]" 1
614 2 29 LYS H 2 29 LYS QD 5.860 . 6.360 4.346 2.185 5.158 . 0 0 "[ . 1 . 2]" 1
615 2 29 LYS H 2 30 THR H 4.880 . 5.380 3.994 2.520 4.686 . 0 0 "[ . 1 . 2]" 1
616 2 29 LYS HA 2 29 LYS QE 5.210 . 5.710 4.069 2.563 4.671 . 0 0 "[ . 1 . 2]" 1
617 2 29 LYS HA 2 30 THR H 3.530 . 4.030 2.639 2.118 3.549 . 0 0 "[ . 1 . 2]" 1
618 2 29 LYS QG 2 31 LYS H 6.170 . 6.670 4.705 2.130 5.517 . 0 0 "[ . 1 . 2]" 1
619 2 30 THR H 2 30 THR HB 4.020 . 4.520 3.113 2.261 3.876 . 0 0 "[ . 1 . 2]" 1
620 2 30 THR H 2 30 THR MG 4.530 . 5.030 2.842 1.968 3.774 . 0 0 "[ . 1 . 2]" 1
621 2 30 THR H 2 31 LYS H 4.850 . 5.350 3.740 2.651 4.698 . 0 0 "[ . 1 . 2]" 1
622 2 31 LYS H 2 31 LYS QE 6.170 . 6.670 4.564 3.643 5.501 . 0 0 "[ . 1 . 2]" 1
623 2 31 LYS QB 2 32 ARG H 5.020 . 5.520 3.045 2.417 3.998 . 0 0 "[ . 1 . 2]" 1
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