NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
639689 |
6k2k   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6k2k
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 1128
_Distance_constraint_stats_list.Viol_count 1684
_Distance_constraint_stats_list.Viol_total 675.661
_Distance_constraint_stats_list.Viol_max 0.115
_Distance_constraint_stats_list.Viol_rms 0.0068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0201
_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 SER 0.154 0.036 5 0 "[ . 1 . 2]"
1 3 LEU 0.171 0.039 9 0 "[ . 1 . 2]"
1 4 LYS 0.578 0.087 1 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.002 0.002 12 0 "[ . 1 . 2]"
1 7 CYS 0.041 0.012 4 0 "[ . 1 . 2]"
1 8 VAL 1.179 0.054 10 0 "[ . 1 . 2]"
1 9 VAL 0.489 0.036 1 0 "[ . 1 . 2]"
1 10 CYS 0.223 0.033 18 0 "[ . 1 . 2]"
1 11 LEU 0.238 0.030 6 0 "[ . 1 . 2]"
1 12 SER 0.134 0.033 18 0 "[ . 1 . 2]"
1 13 SER 0.054 0.043 14 0 "[ . 1 . 2]"
1 14 PHE 0.136 0.043 14 0 "[ . 1 . 2]"
1 15 LYS 1.271 0.115 3 0 "[ . 1 . 2]"
1 16 SER 0.722 0.115 3 0 "[ . 1 . 2]"
1 17 CYS 1.009 0.047 16 0 "[ . 1 . 2]"
1 18 VAL 0.735 0.043 3 0 "[ . 1 . 2]"
1 19 PHE 0.921 0.043 3 0 "[ . 1 . 2]"
1 20 LEU 2.986 0.055 19 0 "[ . 1 . 2]"
1 21 GLU 3.504 0.113 15 0 "[ . 1 . 2]"
1 22 CYS 0.552 0.075 7 0 "[ . 1 . 2]"
1 23 GLY 0.414 0.039 3 0 "[ . 1 . 2]"
1 24 HIS 1.548 0.056 12 0 "[ . 1 . 2]"
1 25 VAL 0.149 0.022 6 0 "[ . 1 . 2]"
1 26 CYS 0.682 0.052 18 0 "[ . 1 . 2]"
1 27 SER 0.141 0.027 17 0 "[ . 1 . 2]"
1 28 CYS 0.142 0.020 18 0 "[ . 1 . 2]"
1 29 THR 1.410 0.066 18 0 "[ . 1 . 2]"
1 30 GLU 2.205 0.066 18 0 "[ . 1 . 2]"
1 31 CYS 1.865 0.062 12 0 "[ . 1 . 2]"
1 32 TYR 0.994 0.070 13 0 "[ . 1 . 2]"
1 33 ARG 1.571 0.081 18 0 "[ . 1 . 2]"
1 34 ALA 1.158 0.062 12 0 "[ . 1 . 2]"
1 35 LEU 3.220 0.081 18 0 "[ . 1 . 2]"
1 36 PRO 0.825 0.052 18 0 "[ . 1 . 2]"
1 37 GLU 0.906 0.041 12 0 "[ . 1 . 2]"
1 38 PRO 2.387 0.062 4 0 "[ . 1 . 2]"
1 39 LYS 3.561 0.063 15 0 "[ . 1 . 2]"
1 40 LYS 0.636 0.052 14 0 "[ . 1 . 2]"
1 41 CYS 1.938 0.056 19 0 "[ . 1 . 2]"
1 42 PRO 1.990 0.054 10 0 "[ . 1 . 2]"
1 43 ILE 2.458 0.056 12 0 "[ . 1 . 2]"
1 44 CYS 0.728 0.037 16 0 "[ . 1 . 2]"
1 45 ARG 1.069 0.056 19 0 "[ . 1 . 2]"
1 46 GLN 1.774 0.075 7 0 "[ . 1 . 2]"
1 47 ALA 1.528 0.062 4 0 "[ . 1 . 2]"
1 48 ILE 2.646 0.065 18 0 "[ . 1 . 2]"
1 49 THR 3.898 0.113 15 0 "[ . 1 . 2]"
1 50 ARG 1.120 0.046 5 0 "[ . 1 . 2]"
1 51 VAL 1.541 0.054 4 0 "[ . 1 . 2]"
1 52 ILE 2.145 0.054 4 0 "[ . 1 . 2]"
1 53 PRO 1.144 0.078 5 0 "[ . 1 . 2]"
1 54 LEU 0.845 0.047 16 0 "[ . 1 . 2]"
1 55 TYR 0.592 0.078 5 0 "[ . 1 . 2]"
1 56 ASN 0.321 0.095 19 0 "[ . 1 . 2]"
1 57 SER 0.149 0.095 19 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 56 ASN QB 1 57 SER QB 5.100 . 5.100 4.638 3.732 5.195 0.095 19 0 "[ . 1 . 2]" 1
2 1 57 SER HA 1 57 SER QB 2.700 . 2.700 2.317 2.222 2.415 . 0 0 "[ . 1 . 2]" 1
3 1 57 SER H 1 57 SER QB 3.500 . 3.500 2.791 2.497 3.187 . 0 0 "[ . 1 . 2]" 1
4 1 56 ASN QB 1 57 SER H 4.100 . 4.100 2.860 1.813 4.104 0.004 15 0 "[ . 1 . 2]" 1
5 1 54 LEU QD 1 56 ASN QD 4.710 . 4.710 4.227 3.065 4.750 0.040 3 0 "[ . 1 . 2]" 1
6 1 54 LEU HG 1 56 ASN QD 6.000 . 6.000 5.178 2.947 6.041 0.041 16 0 "[ . 1 . 2]" 1
7 1 54 LEU QB 1 56 ASN QB 5.140 . 5.140 3.429 2.902 5.139 . 0 0 "[ . 1 . 2]" 1
8 1 54 LEU HA 1 55 TYR QB 5.300 . 5.300 4.494 4.249 4.771 . 0 0 "[ . 1 . 2]" 1
9 1 55 TYR HA 1 55 TYR QD 3.910 . 3.910 2.624 2.171 3.054 . 0 0 "[ . 1 . 2]" 1
10 1 53 PRO HB2 1 55 TYR HA 5.900 . 5.900 4.659 4.066 5.852 . 0 0 "[ . 1 . 2]" 1
11 1 55 TYR H 1 55 TYR QD 4.490 . 4.490 3.137 2.764 3.904 . 0 0 "[ . 1 . 2]" 1
12 1 55 TYR H 1 55 TYR QB 3.470 . 3.470 2.503 2.247 2.797 . 0 0 "[ . 1 . 2]" 1
13 1 55 TYR H 1 55 TYR HB3 3.990 . 3.990 3.670 3.509 3.752 . 0 0 "[ . 1 . 2]" 1
14 1 55 TYR H 1 55 TYR HB2 3.990 . 3.990 2.551 2.274 2.893 . 0 0 "[ . 1 . 2]" 1
15 1 54 LEU QD 1 55 TYR H 4.400 . 4.400 3.904 3.515 4.203 . 0 0 "[ . 1 . 2]" 1
16 1 54 LEU MD2 1 55 TYR H 5.690 . 5.690 5.025 3.937 5.577 . 0 0 "[ . 1 . 2]" 1
17 1 54 LEU MD1 1 55 TYR H 5.690 . 5.690 4.299 3.608 5.594 . 0 0 "[ . 1 . 2]" 1
18 1 54 LEU QB 1 55 TYR H 4.010 . 4.010 3.406 2.972 3.826 . 0 0 "[ . 1 . 2]" 1
19 1 54 LEU HA 1 55 TYR H 3.450 . 3.450 2.249 2.145 2.377 . 0 0 "[ . 1 . 2]" 1
20 1 54 LEU H 1 55 TYR H 4.480 . 4.480 4.136 3.808 4.310 . 0 0 "[ . 1 . 2]" 1
21 1 53 PRO HB2 1 55 TYR H 4.900 . 4.900 4.690 4.060 4.978 0.078 5 0 "[ . 1 . 2]" 1
22 1 53 PRO HA 1 55 TYR H 6.000 . 6.000 5.791 5.334 6.055 0.055 9 0 "[ . 1 . 2]" 1
23 1 53 PRO HB3 1 54 LEU QD 5.900 . 5.900 5.263 5.001 5.698 . 0 0 "[ . 1 . 2]" 1
24 1 53 PRO HA 1 54 LEU QD 5.160 . 5.160 3.619 3.230 4.173 . 0 0 "[ . 1 . 2]" 1
25 1 52 ILE MG 1 54 LEU QD 3.000 . 3.000 2.776 2.336 3.015 0.015 9 0 "[ . 1 . 2]" 1
26 1 52 ILE HB 1 54 LEU QD 4.130 . 4.130 3.475 3.111 3.872 . 0 0 "[ . 1 . 2]" 1
27 1 52 ILE HA 1 54 LEU QD 5.580 . 5.580 4.863 4.530 5.362 . 0 0 "[ . 1 . 2]" 1
28 1 25 VAL QG 1 54 LEU QD 3.530 . 3.530 2.233 1.970 2.532 . 0 0 "[ . 1 . 2]" 1
29 1 25 VAL HB 1 54 LEU QD 5.100 . 5.100 4.470 4.143 4.822 . 0 0 "[ . 1 . 2]" 1
30 1 18 VAL QG 1 54 LEU QD 2.330 . 2.330 1.873 1.774 1.992 . 0 0 "[ . 1 . 2]" 1
31 1 18 VAL HB 1 54 LEU QD 3.950 . 3.950 3.678 3.368 3.954 0.004 17 0 "[ . 1 . 2]" 1
32 1 18 VAL H 1 54 LEU QD 3.910 . 3.910 3.075 2.789 3.598 . 0 0 "[ . 1 . 2]" 1
33 1 17 CYS QB 1 54 LEU QD 5.180 . 5.180 4.655 4.217 4.996 . 0 0 "[ . 1 . 2]" 1
34 1 17 CYS HA 1 54 LEU QD 3.940 . 3.940 3.304 2.859 3.826 . 0 0 "[ . 1 . 2]" 1
35 1 17 CYS H 1 54 LEU QD 4.510 . 4.510 3.499 2.844 3.970 . 0 0 "[ . 1 . 2]" 1
36 1 16 SER QB 1 54 LEU QD 5.190 . 5.190 3.918 3.251 4.723 . 0 0 "[ . 1 . 2]" 1
37 1 16 SER HA 1 54 LEU QD 3.700 . 3.700 2.830 2.134 3.716 0.016 15 0 "[ . 1 . 2]" 1
38 1 16 SER H 1 54 LEU QD 5.460 . 5.460 4.775 4.165 5.381 . 0 0 "[ . 1 . 2]" 1
39 1 18 VAL QG 1 54 LEU MD2 2.900 . 2.900 2.280 1.993 2.846 . 0 0 "[ . 1 . 2]" 1
40 1 18 VAL H 1 54 LEU MD2 4.640 . 4.640 3.937 3.010 4.597 . 0 0 "[ . 1 . 2]" 1
41 1 17 CYS HA 1 54 LEU MD2 4.510 . 4.510 4.062 3.022 4.549 0.039 15 0 "[ . 1 . 2]" 1
42 1 18 VAL QG 1 54 LEU MD1 2.700 . 2.700 2.023 1.877 2.272 . 0 0 "[ . 1 . 2]" 1
43 1 18 VAL H 1 54 LEU MD1 4.640 . 4.640 3.298 2.935 4.078 . 0 0 "[ . 1 . 2]" 1
44 1 17 CYS HA 1 54 LEU MD1 4.510 . 4.510 3.597 3.195 4.131 . 0 0 "[ . 1 . 2]" 1
45 1 54 LEU QB 1 54 LEU QD 2.840 . 2.840 2.041 1.975 2.091 . 0 0 "[ . 1 . 2]" 1
46 1 54 LEU QB 1 54 LEU MD2 3.260 . 3.260 2.191 2.096 2.396 . 0 0 "[ . 1 . 2]" 1
47 1 54 LEU QB 1 54 LEU MD1 3.260 . 3.260 2.523 2.136 2.767 . 0 0 "[ . 1 . 2]" 1
48 1 53 PRO HA 1 54 LEU QB 4.780 . 4.780 4.201 3.901 4.498 . 0 0 "[ . 1 . 2]" 1
49 1 18 VAL QG 1 54 LEU QB 4.320 . 4.320 3.853 2.668 4.322 0.002 16 0 "[ . 1 . 2]" 1
50 1 18 VAL H 1 54 LEU QB 5.320 . 5.320 4.776 3.473 5.242 . 0 0 "[ . 1 . 2]" 1
51 1 17 CYS HA 1 54 LEU QB 4.200 . 4.200 3.901 3.050 4.239 0.039 14 0 "[ . 1 . 2]" 1
52 1 17 CYS H 1 54 LEU QB 5.000 . 5.000 4.003 3.313 4.510 . 0 0 "[ . 1 . 2]" 1
53 1 16 SER QB 1 54 LEU QB 5.050 . 5.050 2.783 1.996 3.545 . 0 0 "[ . 1 . 2]" 1
54 1 16 SER HA 1 54 LEU QB 4.320 . 4.320 2.321 1.948 2.664 . 0 0 "[ . 1 . 2]" 1
55 1 17 CYS HA 1 54 LEU HG 6.000 . 6.000 5.404 2.854 6.047 0.047 16 0 "[ . 1 . 2]" 1
56 1 54 LEU HA 1 54 LEU QD 3.090 . 3.090 2.200 2.036 2.385 . 0 0 "[ . 1 . 2]" 1
57 1 54 LEU HA 1 54 LEU MD2 4.160 . 4.160 3.585 2.221 4.020 . 0 0 "[ . 1 . 2]" 1
58 1 54 LEU HA 1 54 LEU MD1 4.160 . 4.160 2.547 2.042 4.042 . 0 0 "[ . 1 . 2]" 1
59 1 18 VAL QG 1 54 LEU HA 5.600 . 5.600 4.760 4.215 5.116 . 0 0 "[ . 1 . 2]" 1
60 1 54 LEU H 1 54 LEU QD 4.190 . 4.190 3.141 2.883 3.493 . 0 0 "[ . 1 . 2]" 1
61 1 54 LEU H 1 54 LEU QB 3.660 . 3.660 2.445 2.359 2.644 . 0 0 "[ . 1 . 2]" 1
62 1 54 LEU H 1 54 LEU HG 4.700 . 4.700 4.291 2.762 4.715 0.015 1 0 "[ . 1 . 2]" 1
63 1 53 PRO HB3 1 54 LEU H 4.530 . 4.530 3.672 3.489 3.883 . 0 0 "[ . 1 . 2]" 1
64 1 53 PRO HB2 1 54 LEU H 4.400 . 4.400 3.053 2.825 3.376 . 0 0 "[ . 1 . 2]" 1
65 1 53 PRO HA 1 54 LEU H 3.470 . 3.470 2.249 2.185 2.351 . 0 0 "[ . 1 . 2]" 1
66 1 18 VAL QG 1 54 LEU H 5.440 . 5.440 4.650 4.355 4.787 . 0 0 "[ . 1 . 2]" 1
67 1 18 VAL H 1 54 LEU H 5.280 . 5.280 4.586 4.121 4.737 . 0 0 "[ . 1 . 2]" 1
68 1 17 CYS QB 1 54 LEU H 5.000 . 5.000 4.892 4.622 5.015 0.015 5 0 "[ . 1 . 2]" 1
69 1 17 CYS HA 1 54 LEU H 3.910 . 3.910 3.154 2.729 3.339 . 0 0 "[ . 1 . 2]" 1
70 1 16 SER HA 1 54 LEU H 5.170 . 5.170 3.801 3.412 4.226 . 0 0 "[ . 1 . 2]" 1
71 1 52 ILE MG 1 53 PRO QD 3.230 . 3.230 2.671 2.477 2.955 . 0 0 "[ . 1 . 2]" 1
72 1 52 ILE MD 1 53 PRO QD 4.920 . 4.920 4.937 4.915 4.952 0.032 5 0 "[ . 1 . 2]" 1
73 1 52 ILE HG13 1 53 PRO QD 4.500 . 4.500 4.289 4.211 4.352 . 0 0 "[ . 1 . 2]" 1
74 1 52 ILE HG12 1 53 PRO QD 5.300 . 5.300 4.873 4.728 5.019 . 0 0 "[ . 1 . 2]" 1
75 1 52 ILE HB 1 53 PRO QD 4.580 . 4.580 4.258 4.153 4.357 . 0 0 "[ . 1 . 2]" 1
76 1 52 ILE HA 1 53 PRO QD 2.910 . 2.910 2.026 1.987 2.047 . 0 0 "[ . 1 . 2]" 1
77 1 52 ILE H 1 53 PRO QD 4.550 . 4.550 3.992 3.839 4.130 . 0 0 "[ . 1 . 2]" 1
78 1 51 VAL MG2 1 53 PRO QD 3.940 . 3.940 3.171 2.805 3.722 . 0 0 "[ . 1 . 2]" 1
79 1 51 VAL MG1 1 53 PRO QD 4.680 . 4.680 3.016 2.431 3.432 . 0 0 "[ . 1 . 2]" 1
80 1 51 VAL HB 1 53 PRO QD 5.900 . 5.900 5.381 4.922 5.792 . 0 0 "[ . 1 . 2]" 1
81 1 51 VAL MG2 1 53 PRO HG3 5.690 . 5.690 4.379 3.970 4.993 . 0 0 "[ . 1 . 2]" 1
82 1 51 VAL MG1 1 53 PRO HG3 4.940 . 4.940 4.157 3.793 4.725 . 0 0 "[ . 1 . 2]" 1
83 1 52 ILE MG 1 53 PRO HG2 4.500 . 4.500 4.345 4.094 4.507 0.007 15 0 "[ . 1 . 2]" 1
84 1 52 ILE HA 1 53 PRO HG2 4.700 . 4.700 4.436 4.286 4.578 . 0 0 "[ . 1 . 2]" 1
85 1 52 ILE MG 1 53 PRO HB3 5.690 . 5.690 5.471 5.273 5.618 . 0 0 "[ . 1 . 2]" 1
86 1 51 VAL MG1 1 53 PRO HB3 5.020 . 5.020 4.369 3.657 4.865 . 0 0 "[ . 1 . 2]" 1
87 1 17 CYS QB 1 53 PRO HB3 5.100 . 5.100 4.950 4.472 5.137 0.037 15 0 "[ . 1 . 2]" 1
88 1 17 CYS HA 1 53 PRO HB3 5.690 . 5.690 4.448 4.094 4.803 . 0 0 "[ . 1 . 2]" 1
89 1 52 ILE HA 1 53 PRO HB2 5.690 . 5.690 5.597 5.516 5.623 . 0 0 "[ . 1 . 2]" 1
90 1 52 ILE MG 1 53 PRO HA 4.930 . 4.930 4.436 4.273 4.529 . 0 0 "[ . 1 . 2]" 1
91 1 51 VAL MG2 1 53 PRO HA 4.260 . 4.260 3.355 3.127 3.549 . 0 0 "[ . 1 . 2]" 1
92 1 18 VAL QG 1 53 PRO HA 5.570 . 5.570 4.505 4.272 4.711 . 0 0 "[ . 1 . 2]" 1
93 1 18 VAL H 1 53 PRO HA 4.850 . 4.850 3.588 3.368 3.819 . 0 0 "[ . 1 . 2]" 1
94 1 17 CYS QB 1 53 PRO HA 3.880 . 3.880 3.850 3.622 3.910 0.030 14 0 "[ . 1 . 2]" 1
95 1 17 CYS HA 1 53 PRO HA 3.700 . 3.700 2.389 2.102 2.664 . 0 0 "[ . 1 . 2]" 1
96 1 52 ILE HG13 1 52 ILE MG 3.350 . 3.350 2.964 2.921 2.999 . 0 0 "[ . 1 . 2]" 1
97 1 52 ILE HG12 1 52 ILE MG 3.290 . 3.290 2.091 1.988 2.182 . 0 0 "[ . 1 . 2]" 1
98 1 51 VAL HA 1 52 ILE MG 5.690 . 5.690 5.396 5.355 5.422 . 0 0 "[ . 1 . 2]" 1
99 1 18 VAL HB 1 52 ILE MG 4.670 . 4.670 3.653 3.559 3.859 . 0 0 "[ . 1 . 2]" 1
100 1 18 VAL H 1 52 ILE MG 5.630 . 5.630 4.203 4.100 4.289 . 0 0 "[ . 1 . 2]" 1
101 1 17 CYS HA 1 52 ILE MG 5.300 . 5.300 5.148 4.958 5.303 0.003 9 0 "[ . 1 . 2]" 1
102 1 51 VAL HB 1 52 ILE MD 5.500 . 5.500 5.519 5.502 5.535 0.035 10 0 "[ . 1 . 2]" 1
103 1 51 VAL HA 1 52 ILE MD 3.980 . 3.980 3.319 3.243 3.381 . 0 0 "[ . 1 . 2]" 1
104 1 50 ARG QD 1 52 ILE MD 4.840 . 4.840 4.460 3.519 4.854 0.014 1 0 "[ . 1 . 2]" 1
105 1 21 GLU HG3 1 52 ILE MD 5.690 . 5.690 5.564 5.404 5.704 0.014 6 0 "[ . 1 . 2]" 1
106 1 20 LEU HG 1 52 ILE MD 3.290 . 3.290 2.117 1.992 2.225 . 0 0 "[ . 1 . 2]" 1
107 1 20 LEU HB2 1 52 ILE MD 3.240 . 3.240 2.246 2.127 2.352 . 0 0 "[ . 1 . 2]" 1
108 1 20 LEU HA 1 52 ILE MD 3.570 . 3.570 2.754 2.617 2.933 . 0 0 "[ . 1 . 2]" 1
109 1 20 LEU H 1 52 ILE MD 3.500 . 3.500 2.781 2.617 2.923 . 0 0 "[ . 1 . 2]" 1
110 1 19 PHE HB3 1 52 ILE MD 5.690 . 5.690 5.286 5.143 5.428 . 0 0 "[ . 1 . 2]" 1
111 1 19 PHE HA 1 52 ILE MD 5.060 . 5.060 3.472 3.314 3.593 . 0 0 "[ . 1 . 2]" 1
112 1 18 VAL HB 1 52 ILE MD 3.280 . 3.280 2.022 1.947 2.094 . 0 0 "[ . 1 . 2]" 1
113 1 18 VAL HA 1 52 ILE MD 4.270 . 4.270 4.266 4.225 4.304 0.034 6 0 "[ . 1 . 2]" 1
114 1 51 VAL HA 1 52 ILE HG13 4.610 . 4.610 3.870 3.758 3.960 . 0 0 "[ . 1 . 2]" 1
115 1 20 LEU HB2 1 52 ILE HG13 3.640 . 3.640 2.924 2.677 3.194 . 0 0 "[ . 1 . 2]" 1
116 1 18 VAL HB 1 52 ILE HG13 4.630 . 4.630 4.282 4.207 4.357 . 0 0 "[ . 1 . 2]" 1
117 1 51 VAL HA 1 52 ILE HG12 5.690 . 5.690 5.481 5.408 5.523 . 0 0 "[ . 1 . 2]" 1
118 1 20 LEU HG 1 52 ILE HG12 4.100 . 4.100 4.118 4.073 4.139 0.039 20 0 "[ . 1 . 2]" 1
119 1 18 VAL HB 1 52 ILE HG12 4.220 . 4.220 4.188 4.135 4.236 0.016 20 0 "[ . 1 . 2]" 1
120 1 18 VAL H 1 52 ILE HG12 5.900 . 5.900 5.851 5.748 5.923 0.023 12 0 "[ . 1 . 2]" 1
121 1 52 ILE HB 1 52 ILE MD 3.100 . 3.100 2.166 2.118 2.187 . 0 0 "[ . 1 . 2]" 1
122 1 51 VAL HA 1 52 ILE HB 5.140 . 5.140 4.711 4.651 4.748 . 0 0 "[ . 1 . 2]" 1
123 1 19 PHE H 1 52 ILE HB 5.690 . 5.690 5.705 5.681 5.728 0.038 8 0 "[ . 1 . 2]" 1
124 1 18 VAL QG 1 52 ILE HB 3.270 . 3.270 2.757 2.155 2.937 . 0 0 "[ . 1 . 2]" 1
125 1 18 VAL HB 1 52 ILE HB 3.340 . 3.340 2.066 1.958 2.278 . 0 0 "[ . 1 . 2]" 1
126 1 18 VAL HA 1 52 ILE HB 5.020 . 5.020 4.850 4.800 4.901 . 0 0 "[ . 1 . 2]" 1
127 1 18 VAL H 1 52 ILE HB 4.470 . 4.470 3.096 2.986 3.197 . 0 0 "[ . 1 . 2]" 1
128 1 17 CYS HA 1 52 ILE HB 5.290 . 5.290 4.798 4.651 4.943 . 0 0 "[ . 1 . 2]" 1
129 1 52 ILE HA 1 52 ILE MG 3.150 . 3.150 2.242 2.174 2.406 . 0 0 "[ . 1 . 2]" 1
130 1 52 ILE HA 1 52 ILE MD 3.810 . 3.810 3.808 3.757 3.830 0.020 4 0 "[ . 1 . 2]" 1
131 1 52 ILE HA 1 52 ILE HG13 3.860 . 3.860 2.661 2.581 2.720 . 0 0 "[ . 1 . 2]" 1
132 1 52 ILE HA 1 52 ILE HG12 3.880 . 3.880 3.466 3.412 3.519 . 0 0 "[ . 1 . 2]" 1
133 1 51 VAL MG2 1 52 ILE HA 4.290 . 4.290 3.874 3.730 4.014 . 0 0 "[ . 1 . 2]" 1
134 1 51 VAL MG1 1 52 ILE HA 4.110 . 4.110 4.118 3.983 4.164 0.054 4 0 "[ . 1 . 2]" 1
135 1 20 LEU HB2 1 52 ILE HA 5.500 . 5.500 5.318 5.134 5.504 0.004 6 0 "[ . 1 . 2]" 1
136 1 18 VAL HB 1 52 ILE HA 5.310 . 5.310 4.917 4.819 5.090 . 0 0 "[ . 1 . 2]" 1
137 1 18 VAL H 1 52 ILE HA 5.160 . 5.160 4.832 4.708 4.887 . 0 0 "[ . 1 . 2]" 1
138 1 52 ILE H 1 52 ILE MG 4.040 . 4.040 3.870 3.845 3.889 . 0 0 "[ . 1 . 2]" 1
139 1 52 ILE H 1 52 ILE MD 3.630 . 3.630 2.351 2.259 2.414 . 0 0 "[ . 1 . 2]" 1
140 1 52 ILE H 1 52 ILE HG13 4.160 . 4.160 2.819 2.714 2.916 . 0 0 "[ . 1 . 2]" 1
141 1 52 ILE H 1 52 ILE HG12 4.370 . 4.370 4.059 4.003 4.130 . 0 0 "[ . 1 . 2]" 1
142 1 52 ILE H 1 52 ILE HB 3.620 . 3.620 2.703 2.651 2.757 . 0 0 "[ . 1 . 2]" 1
143 1 51 VAL MG2 1 52 ILE H 3.790 . 3.790 2.595 2.478 2.728 . 0 0 "[ . 1 . 2]" 1
144 1 51 VAL MG1 1 52 ILE H 4.140 . 4.140 4.066 3.972 4.118 . 0 0 "[ . 1 . 2]" 1
145 1 51 VAL HB 1 52 ILE H 4.380 . 4.380 4.189 4.106 4.268 . 0 0 "[ . 1 . 2]" 1
146 1 51 VAL HA 1 52 ILE H 3.090 . 3.090 2.046 2.019 2.070 . 0 0 "[ . 1 . 2]" 1
147 1 19 PHE QD 1 52 ILE H 5.400 . 5.400 4.190 3.989 4.327 . 0 0 "[ . 1 . 2]" 1
148 1 19 PHE HA 1 52 ILE H 4.880 . 4.880 3.352 3.216 3.473 . 0 0 "[ . 1 . 2]" 1
149 1 18 VAL QG 1 52 ILE H 4.740 . 4.740 3.895 3.722 3.992 . 0 0 "[ . 1 . 2]" 1
150 1 18 VAL HB 1 52 ILE H 4.060 . 4.060 3.276 3.187 3.373 . 0 0 "[ . 1 . 2]" 1
151 1 18 VAL H 1 52 ILE H 4.050 . 4.050 3.260 3.064 3.351 . 0 0 "[ . 1 . 2]" 1
152 1 17 CYS QB 1 52 ILE H 4.730 . 4.730 4.299 4.132 4.518 . 0 0 "[ . 1 . 2]" 1
153 1 17 CYS HA 1 52 ILE H 4.860 . 4.860 4.561 4.379 4.756 . 0 0 "[ . 1 . 2]" 1
154 1 32 TYR QB 1 51 VAL MG2 4.910 . 4.910 3.467 3.154 3.691 . 0 0 "[ . 1 . 2]" 1
155 1 20 LEU H 1 51 VAL MG2 4.370 . 4.370 4.323 4.163 4.396 0.026 13 0 "[ . 1 . 2]" 1
156 1 19 PHE QE 1 51 VAL MG2 4.230 . 4.230 2.505 2.312 2.735 . 0 0 "[ . 1 . 2]" 1
157 1 19 PHE QD 1 51 VAL MG2 3.860 . 3.860 2.538 2.342 2.836 . 0 0 "[ . 1 . 2]" 1
158 1 19 PHE HA 1 51 VAL MG2 4.220 . 4.220 3.194 2.960 3.347 . 0 0 "[ . 1 . 2]" 1
159 1 17 CYS HB3 1 51 VAL MG2 3.670 . 3.670 2.137 2.043 2.248 . 0 0 "[ . 1 . 2]" 1
160 1 17 CYS HB2 1 51 VAL MG2 3.670 . 3.670 3.497 3.383 3.584 . 0 0 "[ . 1 . 2]" 1
161 1 50 ARG QD 1 51 VAL MG1 5.530 . 5.530 4.247 3.072 5.290 . 0 0 "[ . 1 . 2]" 1
162 1 50 ARG HG2 1 51 VAL MG1 4.180 . 4.180 3.882 3.540 4.199 0.019 7 0 "[ . 1 . 2]" 1
163 1 50 ARG HA 1 51 VAL MG1 4.220 . 4.220 3.616 3.433 3.944 . 0 0 "[ . 1 . 2]" 1
164 1 33 ARG QB 1 51 VAL MG1 5.600 . 5.600 5.439 5.023 5.637 0.037 19 0 "[ . 1 . 2]" 1
165 1 32 TYR QE 1 51 VAL MG1 4.150 . 4.150 2.823 2.556 3.356 . 0 0 "[ . 1 . 2]" 1
166 1 32 TYR QD 1 51 VAL MG1 4.440 . 4.440 3.461 3.160 3.834 . 0 0 "[ . 1 . 2]" 1
167 1 32 TYR QB 1 51 VAL MG1 4.840 . 4.840 4.258 3.872 4.575 . 0 0 "[ . 1 . 2]" 1
168 1 20 LEU H 1 51 VAL MG1 5.500 . 5.500 5.165 5.056 5.364 . 0 0 "[ . 1 . 2]" 1
169 1 17 CYS QB 1 51 VAL MG1 4.600 . 4.600 4.547 4.323 4.626 0.026 19 0 "[ . 1 . 2]" 1
170 1 50 ARG HA 1 51 VAL HB 4.450 . 4.450 4.361 4.200 4.468 0.018 20 0 "[ . 1 . 2]" 1
171 1 48 ILE MG 1 51 VAL HB 4.050 . 4.050 3.019 2.767 3.162 . 0 0 "[ . 1 . 2]" 1
172 1 19 PHE QD 1 51 VAL HB 4.540 . 4.540 2.715 2.499 2.917 . 0 0 "[ . 1 . 2]" 1
173 1 19 PHE HA 1 51 VAL HB 4.590 . 4.590 3.888 3.763 4.044 . 0 0 "[ . 1 . 2]" 1
174 1 51 VAL HA 1 51 VAL MG2 3.460 . 3.460 2.294 2.230 2.363 . 0 0 "[ . 1 . 2]" 1
175 1 51 VAL HA 1 51 VAL MG1 3.490 . 3.490 3.269 3.253 3.280 . 0 0 "[ . 1 . 2]" 1
176 1 50 ARG QD 1 51 VAL HA 5.800 . 5.800 4.925 3.940 5.823 0.023 8 0 "[ . 1 . 2]" 1
177 1 50 ARG HA 1 51 VAL HA 4.700 . 4.700 4.406 4.382 4.429 . 0 0 "[ . 1 . 2]" 1
178 1 48 ILE MG 1 51 VAL HA 4.370 . 4.370 3.670 3.501 3.760 . 0 0 "[ . 1 . 2]" 1
179 1 20 LEU MD1 1 51 VAL HA 5.390 . 5.390 5.122 4.716 5.408 0.018 11 0 "[ . 1 . 2]" 1
180 1 20 LEU HB2 1 51 VAL HA 4.110 . 4.110 3.747 3.470 3.993 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU H 1 51 VAL HA 4.000 . 4.000 2.615 2.467 2.800 . 0 0 "[ . 1 . 2]" 1
182 1 19 PHE QD 1 51 VAL HA 4.340 . 4.340 2.849 2.699 2.986 . 0 0 "[ . 1 . 2]" 1
183 1 19 PHE HA 1 51 VAL HA 4.150 . 4.150 2.490 2.422 2.548 . 0 0 "[ . 1 . 2]" 1
184 1 18 VAL HB 1 51 VAL HA 5.370 . 5.370 4.942 4.814 5.039 . 0 0 "[ . 1 . 2]" 1
185 1 18 VAL H 1 51 VAL HA 5.380 . 5.380 4.779 4.657 4.884 . 0 0 "[ . 1 . 2]" 1
186 1 51 VAL H 1 51 VAL MG2 4.060 . 4.060 3.954 3.898 4.032 . 0 0 "[ . 1 . 2]" 1
187 1 51 VAL H 1 51 VAL MG1 3.750 . 3.750 2.179 1.997 2.328 . 0 0 "[ . 1 . 2]" 1
188 1 51 VAL H 1 51 VAL HB 3.410 . 3.410 3.280 3.109 3.404 . 0 0 "[ . 1 . 2]" 1
189 1 50 ARG HG3 1 51 VAL H 4.110 . 4.110 3.937 3.545 4.135 0.025 13 0 "[ . 1 . 2]" 1
190 1 50 ARG HG2 1 51 VAL H 4.090 . 4.090 2.566 2.076 3.041 . 0 0 "[ . 1 . 2]" 1
191 1 50 ARG HB3 1 51 VAL H 3.930 . 3.930 2.817 2.477 3.350 . 0 0 "[ . 1 . 2]" 1
192 1 50 ARG HB2 1 51 VAL H 4.060 . 4.060 3.932 3.753 4.106 0.046 5 0 "[ . 1 . 2]" 1
193 1 50 ARG HA 1 51 VAL H 2.860 . 2.860 2.408 2.338 2.486 . 0 0 "[ . 1 . 2]" 1
194 1 49 THR MG 1 50 ARG QD 5.050 . 5.050 4.591 3.564 5.066 0.016 18 0 "[ . 1 . 2]" 1
195 1 20 LEU MD1 1 50 ARG QD 3.150 . 3.150 2.587 2.058 3.171 0.021 7 0 "[ . 1 . 2]" 1
196 1 20 LEU MD1 1 50 ARG HD3 3.900 . 3.900 3.229 2.070 3.936 0.036 6 0 "[ . 1 . 2]" 1
197 1 20 LEU MD1 1 50 ARG HD2 3.900 . 3.900 3.135 2.337 3.914 0.014 19 0 "[ . 1 . 2]" 1
198 1 50 ARG HB3 1 50 ARG HD3 3.760 . 3.760 2.560 2.144 3.678 . 0 0 "[ . 1 . 2]" 1
199 1 50 ARG HB3 1 50 ARG HD2 3.760 . 3.760 2.908 2.035 3.679 . 0 0 "[ . 1 . 2]" 1
200 1 49 THR MG 1 50 ARG HB3 4.190 . 4.190 4.024 3.621 4.211 0.021 4 0 "[ . 1 . 2]" 1
201 1 49 THR H 1 50 ARG HB3 5.690 . 5.690 5.532 5.195 5.706 0.016 16 0 "[ . 1 . 2]" 1
202 1 20 LEU MD2 1 50 ARG HB3 4.350 . 4.350 4.062 3.883 4.297 . 0 0 "[ . 1 . 2]" 1
203 1 20 LEU MD1 1 50 ARG HB3 3.670 . 3.670 2.410 2.205 2.596 . 0 0 "[ . 1 . 2]" 1
204 1 20 LEU HB3 1 50 ARG HB3 4.230 . 4.230 2.456 2.179 2.698 . 0 0 "[ . 1 . 2]" 1
205 1 20 LEU HB2 1 50 ARG HB3 4.170 . 4.170 2.295 2.152 2.464 . 0 0 "[ . 1 . 2]" 1
206 1 20 LEU HA 1 50 ARG HB3 5.220 . 5.220 4.906 4.722 5.104 . 0 0 "[ . 1 . 2]" 1
207 1 20 LEU H 1 50 ARG HB3 4.490 . 4.490 3.604 3.413 3.802 . 0 0 "[ . 1 . 2]" 1
208 1 49 THR HB 1 50 ARG HB2 5.150 . 5.150 3.990 3.684 4.303 . 0 0 "[ . 1 . 2]" 1
209 1 49 THR H 1 50 ARG HB2 5.110 . 5.110 4.809 4.708 4.928 . 0 0 "[ . 1 . 2]" 1
210 1 20 LEU MD1 1 50 ARG HB2 2.940 . 2.940 2.767 2.604 2.971 0.031 5 0 "[ . 1 . 2]" 1
211 1 50 ARG HA 1 50 ARG QD 4.190 . 4.190 3.772 3.191 4.157 . 0 0 "[ . 1 . 2]" 1
212 1 50 ARG HA 1 50 ARG HG3 3.490 . 3.490 3.076 2.366 3.450 . 0 0 "[ . 1 . 2]" 1
213 1 50 ARG HA 1 50 ARG HG2 3.730 . 3.730 2.224 2.065 2.656 . 0 0 "[ . 1 . 2]" 1
214 1 50 ARG HA 1 50 ARG HD3 4.840 . 4.840 4.080 3.283 4.694 . 0 0 "[ . 1 . 2]" 1
215 1 50 ARG HA 1 50 ARG HD2 4.840 . 4.840 4.541 4.261 4.751 . 0 0 "[ . 1 . 2]" 1
216 1 49 THR MG 1 50 ARG HA 4.790 . 4.790 4.126 3.983 4.234 . 0 0 "[ . 1 . 2]" 1
217 1 48 ILE MG 1 50 ARG HA 4.320 . 4.320 3.261 3.186 3.387 . 0 0 "[ . 1 . 2]" 1
218 1 20 LEU MD1 1 50 ARG HA 4.900 . 4.900 4.920 4.889 4.937 0.037 17 0 "[ . 1 . 2]" 1
219 1 50 ARG H 1 50 ARG QD 5.530 . 5.530 5.227 4.914 5.509 . 0 0 "[ . 1 . 2]" 1
220 1 50 ARG H 1 50 ARG HB3 3.840 . 3.840 3.613 3.333 3.776 . 0 0 "[ . 1 . 2]" 1
221 1 50 ARG H 1 50 ARG HB2 3.440 . 3.440 3.174 3.103 3.276 . 0 0 "[ . 1 . 2]" 1
222 1 49 THR MG 1 50 ARG H 3.980 . 3.980 3.370 3.140 3.490 . 0 0 "[ . 1 . 2]" 1
223 1 49 THR HB 1 50 ARG H 3.960 . 3.960 2.894 2.713 3.043 . 0 0 "[ . 1 . 2]" 1
224 1 49 THR H 1 50 ARG H 3.000 . 3.000 2.046 2.012 2.091 . 0 0 "[ . 1 . 2]" 1
225 1 48 ILE MG 1 50 ARG H 3.200 . 3.200 2.282 2.205 2.357 . 0 0 "[ . 1 . 2]" 1
226 1 48 ILE HA 1 50 ARG H 4.150 . 4.150 3.649 3.597 3.697 . 0 0 "[ . 1 . 2]" 1
227 1 20 LEU MD2 1 50 ARG H 4.620 . 4.620 4.430 4.135 4.628 0.008 19 0 "[ . 1 . 2]" 1
228 1 20 LEU HB3 1 50 ARG H 3.930 . 3.930 2.934 2.791 3.048 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU HB2 1 50 ARG H 4.390 . 4.390 3.938 3.888 4.027 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU H 1 50 ARG H 3.860 . 3.860 3.201 3.077 3.310 . 0 0 "[ . 1 . 2]" 1
231 1 48 ILE HA 1 49 THR MG 5.300 . 5.300 5.345 5.315 5.365 0.065 18 0 "[ . 1 . 2]" 1
232 1 21 GLU HG2 1 49 THR MG 5.300 . 5.300 5.309 5.252 5.340 0.040 4 0 "[ . 1 . 2]" 1
233 1 21 GLU HB3 1 49 THR MG 4.900 . 4.900 4.915 4.818 4.971 0.071 14 0 "[ . 1 . 2]" 1
234 1 21 GLU H 1 49 THR MG 5.600 . 5.600 5.661 5.570 5.713 0.113 15 0 "[ . 1 . 2]" 1
235 1 48 ILE MG 1 49 THR HB 4.750 . 4.750 4.287 4.207 4.357 . 0 0 "[ . 1 . 2]" 1
236 1 21 GLU HG2 1 49 THR HB 5.100 . 5.100 3.955 3.908 4.067 . 0 0 "[ . 1 . 2]" 1
237 1 21 GLU H 1 49 THR HB 5.690 . 5.690 4.844 4.708 4.980 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU MD1 1 49 THR HB 5.100 . 5.100 5.017 4.761 5.122 0.022 13 0 "[ . 1 . 2]" 1
239 1 49 THR HA 1 49 THR MG 3.220 . 3.220 2.565 2.416 2.733 . 0 0 "[ . 1 . 2]" 1
240 1 49 THR HA 1 49 THR HB 3.000 . 3.000 3.045 3.029 3.056 0.056 1 0 "[ . 1 . 2]" 1
241 1 48 ILE MG 1 49 THR HA 4.230 . 4.230 3.912 3.836 4.027 . 0 0 "[ . 1 . 2]" 1
242 1 49 THR H 1 49 THR MG 3.700 . 3.700 3.655 3.571 3.698 . 0 0 "[ . 1 . 2]" 1
243 1 49 THR H 1 49 THR HB 3.870 . 3.870 2.283 2.237 2.339 . 0 0 "[ . 1 . 2]" 1
244 1 48 ILE MG 1 49 THR H 3.460 . 3.460 2.552 2.445 2.621 . 0 0 "[ . 1 . 2]" 1
245 1 48 ILE MD 1 49 THR H 5.450 . 5.450 5.129 5.055 5.206 . 0 0 "[ . 1 . 2]" 1
246 1 48 ILE HG13 1 49 THR H 5.000 . 5.000 4.899 4.862 4.943 . 0 0 "[ . 1 . 2]" 1
247 1 48 ILE HG12 1 49 THR H 4.790 . 4.790 4.317 4.207 4.395 . 0 0 "[ . 1 . 2]" 1
248 1 48 ILE HB 1 49 THR H 5.350 . 5.350 4.230 4.144 4.286 . 0 0 "[ . 1 . 2]" 1
249 1 48 ILE HA 1 49 THR H 2.890 . 2.890 2.116 2.089 2.137 . 0 0 "[ . 1 . 2]" 1
250 1 48 ILE H 1 49 THR H 5.070 . 5.070 4.482 4.430 4.521 . 0 0 "[ . 1 . 2]" 1
251 1 21 GLU HG2 1 49 THR H 4.990 . 4.990 2.429 2.372 2.562 . 0 0 "[ . 1 . 2]" 1
252 1 21 GLU HB3 1 49 THR H 4.960 . 4.960 3.106 2.964 3.252 . 0 0 "[ . 1 . 2]" 1
253 1 21 GLU H 1 49 THR H 5.220 . 5.220 4.920 4.848 4.968 . 0 0 "[ . 1 . 2]" 1
254 1 20 LEU HB3 1 49 THR H 4.300 . 4.300 4.197 4.120 4.265 . 0 0 "[ . 1 . 2]" 1
255 1 20 LEU H 1 49 THR H 5.050 . 5.050 4.446 4.338 4.503 . 0 0 "[ . 1 . 2]" 1
256 1 48 ILE MD 1 48 ILE MG 2.950 . 2.950 2.172 2.086 2.223 . 0 0 "[ . 1 . 2]" 1
257 1 47 ALA HA 1 48 ILE MG 5.690 . 5.690 5.530 5.499 5.547 . 0 0 "[ . 1 . 2]" 1
258 1 41 CYS H 1 48 ILE MG 5.900 . 5.900 5.770 5.607 5.842 . 0 0 "[ . 1 . 2]" 1
259 1 39 LYS HB3 1 48 ILE MG 5.690 . 5.690 4.982 4.667 5.197 . 0 0 "[ . 1 . 2]" 1
260 1 39 LYS HB2 1 48 ILE MG 4.300 . 4.300 4.208 3.949 4.324 0.024 1 0 "[ . 1 . 2]" 1
261 1 32 TYR QE 1 48 ILE MG 3.690 . 3.690 2.634 2.401 2.764 . 0 0 "[ . 1 . 2]" 1
262 1 32 TYR QD 1 48 ILE MG 4.200 . 4.200 4.139 3.855 4.245 0.045 18 0 "[ . 1 . 2]" 1
263 1 20 LEU HB2 1 48 ILE MG 4.800 . 4.800 4.812 4.744 4.834 0.034 16 0 "[ . 1 . 2]" 1
264 1 20 LEU H 1 48 ILE MG 3.590 . 3.590 3.261 3.165 3.344 . 0 0 "[ . 1 . 2]" 1
265 1 19 PHE QE 1 48 ILE MG 4.550 . 4.550 3.505 3.359 3.703 . 0 0 "[ . 1 . 2]" 1
266 1 19 PHE QD 1 48 ILE MG 3.670 . 3.670 2.647 2.481 2.933 . 0 0 "[ . 1 . 2]" 1
267 1 19 PHE HB3 1 48 ILE MG 4.000 . 4.000 2.685 2.476 2.890 . 0 0 "[ . 1 . 2]" 1
268 1 19 PHE HB2 1 48 ILE MG 4.560 . 4.560 4.205 4.015 4.401 . 0 0 "[ . 1 . 2]" 1
269 1 19 PHE HA 1 48 ILE MG 3.930 . 3.930 3.265 3.110 3.400 . 0 0 "[ . 1 . 2]" 1
270 1 42 PRO HD3 1 48 ILE MD 4.360 . 4.360 3.574 3.312 3.752 . 0 0 "[ . 1 . 2]" 1
271 1 42 PRO HD2 1 48 ILE MD 4.690 . 4.690 4.258 4.011 4.408 . 0 0 "[ . 1 . 2]" 1
272 1 41 CYS HB3 1 48 ILE MD 5.800 . 5.800 5.770 5.662 5.812 0.012 15 0 "[ . 1 . 2]" 1
273 1 41 CYS HB2 1 48 ILE MD 4.800 . 4.800 4.822 4.805 4.853 0.053 4 0 "[ . 1 . 2]" 1
274 1 41 CYS HA 1 48 ILE MD 3.460 . 3.460 3.365 3.179 3.440 . 0 0 "[ . 1 . 2]" 1
275 1 41 CYS H 1 48 ILE MD 4.110 . 4.110 4.112 4.049 4.137 0.027 2 0 "[ . 1 . 2]" 1
276 1 40 LYS H 1 48 ILE MD 4.380 . 4.380 3.716 3.428 3.854 . 0 0 "[ . 1 . 2]" 1
277 1 39 LYS HB3 1 48 ILE MD 4.200 . 4.200 2.117 1.973 2.320 . 0 0 "[ . 1 . 2]" 1
278 1 39 LYS HB2 1 48 ILE MD 3.830 . 3.830 1.939 1.900 1.980 . 0 0 "[ . 1 . 2]" 1
279 1 39 LYS HA 1 48 ILE MD 4.310 . 4.310 3.942 3.891 3.987 . 0 0 "[ . 1 . 2]" 1
280 1 38 PRO HA 1 48 ILE MD 5.700 . 5.700 5.419 5.005 5.723 0.023 13 0 "[ . 1 . 2]" 1
281 1 32 TYR QE 1 48 ILE MD 3.790 . 3.790 2.117 1.993 2.376 . 0 0 "[ . 1 . 2]" 1
282 1 32 TYR QD 1 48 ILE MD 3.630 . 3.630 2.967 2.661 3.117 . 0 0 "[ . 1 . 2]" 1
283 1 20 LEU H 1 48 ILE MD 5.660 . 5.660 5.553 5.457 5.638 . 0 0 "[ . 1 . 2]" 1
284 1 19 PHE QE 1 48 ILE MD 3.990 . 3.990 2.757 2.672 2.805 . 0 0 "[ . 1 . 2]" 1
285 1 19 PHE QD 1 48 ILE MD 3.770 . 3.770 2.925 2.860 2.966 . 0 0 "[ . 1 . 2]" 1
286 1 19 PHE HB3 1 48 ILE MD 4.570 . 4.570 3.501 3.332 3.651 . 0 0 "[ . 1 . 2]" 1
287 1 19 PHE HB2 1 48 ILE MD 4.600 . 4.600 4.336 4.154 4.530 . 0 0 "[ . 1 . 2]" 1
288 1 41 CYS HB3 1 48 ILE HG13 5.590 . 5.590 5.594 5.530 5.620 0.030 14 0 "[ . 1 . 2]" 1
289 1 41 CYS H 1 48 ILE HG13 3.500 . 3.500 3.265 3.190 3.301 . 0 0 "[ . 1 . 2]" 1
290 1 40 LYS HA 1 48 ILE HG13 4.220 . 4.220 2.898 2.749 2.989 . 0 0 "[ . 1 . 2]" 1
291 1 19 PHE HB3 1 48 ILE HG13 4.760 . 4.760 4.201 4.116 4.279 . 0 0 "[ . 1 . 2]" 1
292 1 19 PHE HB2 1 48 ILE HG13 5.610 . 5.610 5.401 5.287 5.504 . 0 0 "[ . 1 . 2]" 1
293 1 47 ALA HA 1 48 ILE HG12 5.680 . 5.680 5.189 5.104 5.238 . 0 0 "[ . 1 . 2]" 1
294 1 41 CYS HB3 1 48 ILE HG12 6.000 . 6.000 5.797 5.653 5.866 . 0 0 "[ . 1 . 2]" 1
295 1 41 CYS HB2 1 48 ILE HG12 4.860 . 4.860 4.276 4.159 4.350 . 0 0 "[ . 1 . 2]" 1
296 1 41 CYS H 1 48 ILE HG12 4.310 . 4.310 4.266 4.059 4.323 0.013 16 0 "[ . 1 . 2]" 1
297 1 40 LYS HA 1 48 ILE HG12 4.900 . 4.900 4.569 4.378 4.659 . 0 0 "[ . 1 . 2]" 1
298 1 20 LEU H 1 48 ILE HG12 5.440 . 5.440 5.309 5.230 5.412 . 0 0 "[ . 1 . 2]" 1
299 1 19 PHE QD 1 48 ILE HG12 4.940 . 4.940 3.352 3.259 3.428 . 0 0 "[ . 1 . 2]" 1
300 1 19 PHE HB3 1 48 ILE HG12 4.620 . 4.620 2.459 2.368 2.538 . 0 0 "[ . 1 . 2]" 1
301 1 19 PHE HB2 1 48 ILE HG12 4.360 . 4.360 3.784 3.654 3.878 . 0 0 "[ . 1 . 2]" 1
302 1 19 PHE HA 1 48 ILE HG12 5.130 . 5.130 4.515 4.438 4.608 . 0 0 "[ . 1 . 2]" 1
303 1 48 ILE HB 1 48 ILE MD 3.180 . 3.180 2.222 2.192 2.279 . 0 0 "[ . 1 . 2]" 1
304 1 40 LYS HA 1 48 ILE HB 4.800 . 4.800 4.801 4.681 4.832 0.032 2 0 "[ . 1 . 2]" 1
305 1 39 LYS HB2 1 48 ILE HB 4.110 . 4.110 3.482 3.067 3.807 . 0 0 "[ . 1 . 2]" 1
306 1 32 TYR QE 1 48 ILE HB 4.650 . 4.650 3.381 2.860 3.626 . 0 0 "[ . 1 . 2]" 1
307 1 48 ILE HA 1 48 ILE MG 3.220 . 3.220 2.415 2.377 2.467 . 0 0 "[ . 1 . 2]" 1
308 1 48 ILE HA 1 48 ILE HG12 4.120 . 4.120 2.632 2.551 2.690 . 0 0 "[ . 1 . 2]" 1
309 1 20 LEU H 1 48 ILE HA 5.690 . 5.690 5.275 5.140 5.379 . 0 0 "[ . 1 . 2]" 1
310 1 19 PHE HB3 1 48 ILE HA 5.690 . 5.690 3.666 3.572 3.757 . 0 0 "[ . 1 . 2]" 1
311 1 19 PHE HA 1 48 ILE HA 5.900 . 5.900 5.544 5.414 5.637 . 0 0 "[ . 1 . 2]" 1
312 1 48 ILE H 1 48 ILE MG 4.080 . 4.080 3.767 3.752 3.788 . 0 0 "[ . 1 . 2]" 1
313 1 48 ILE H 1 48 ILE MD 3.850 . 3.850 3.559 3.475 3.699 . 0 0 "[ . 1 . 2]" 1
314 1 48 ILE H 1 48 ILE HG13 3.940 . 3.940 2.474 2.383 2.536 . 0 0 "[ . 1 . 2]" 1
315 1 48 ILE H 1 48 ILE HG12 4.230 . 4.230 3.797 3.729 3.824 . 0 0 "[ . 1 . 2]" 1
316 1 48 ILE H 1 48 ILE HB 3.640 . 3.640 2.386 2.340 2.442 . 0 0 "[ . 1 . 2]" 1
317 1 47 ALA MB 1 48 ILE H 3.400 . 3.400 2.682 2.623 2.804 . 0 0 "[ . 1 . 2]" 1
318 1 47 ALA HA 1 48 ILE H 3.010 . 3.010 2.340 2.313 2.360 . 0 0 "[ . 1 . 2]" 1
319 1 47 ALA H 1 48 ILE H 5.360 . 5.360 4.697 4.660 4.717 . 0 0 "[ . 1 . 2]" 1
320 1 41 CYS H 1 48 ILE H 4.620 . 4.620 4.521 4.434 4.608 . 0 0 "[ . 1 . 2]" 1
321 1 40 LYS HE3 1 48 ILE H 5.690 . 5.690 3.636 3.361 3.964 . 0 0 "[ . 1 . 2]" 1
322 1 40 LYS HE2 1 48 ILE H 5.690 . 5.690 4.826 4.327 5.184 . 0 0 "[ . 1 . 2]" 1
323 1 40 LYS HA 1 48 ILE H 3.710 . 3.710 3.285 3.141 3.417 . 0 0 "[ . 1 . 2]" 1
324 1 39 LYS HB2 1 48 ILE H 5.160 . 5.160 4.626 4.262 4.894 . 0 0 "[ . 1 . 2]" 1
325 1 46 GLN QG 1 47 ALA MB 5.180 . 5.180 5.176 5.113 5.204 0.024 13 0 "[ . 1 . 2]" 1
326 1 46 GLN HB3 1 47 ALA MB 4.490 . 4.490 4.186 4.116 4.241 . 0 0 "[ . 1 . 2]" 1
327 1 46 GLN HA 1 47 ALA MB 4.240 . 4.240 4.206 4.176 4.241 0.001 17 0 "[ . 1 . 2]" 1
328 1 40 LYS HA 1 47 ALA MB 4.820 . 4.820 4.064 3.914 4.199 . 0 0 "[ . 1 . 2]" 1
329 1 38 PRO HB3 1 47 ALA MB 5.090 . 5.090 5.065 4.955 5.115 0.025 16 0 "[ . 1 . 2]" 1
330 1 38 PRO HB2 1 47 ALA MB 4.180 . 4.180 4.152 3.967 4.196 0.016 18 0 "[ . 1 . 2]" 1
331 1 40 LYS QE 1 47 ALA HA 4.530 . 4.530 2.430 2.156 2.759 . 0 0 "[ . 1 . 2]" 1
332 1 40 LYS HE3 1 47 ALA HA 5.270 . 5.270 2.527 2.230 2.874 . 0 0 "[ . 1 . 2]" 1
333 1 40 LYS HE2 1 47 ALA HA 5.270 . 5.270 3.193 2.666 3.558 . 0 0 "[ . 1 . 2]" 1
334 1 40 LYS HD2 1 47 ALA HA 4.280 . 4.280 3.976 3.691 4.230 . 0 0 "[ . 1 . 2]" 1
335 1 40 LYS HB3 1 47 ALA HA 4.650 . 4.650 3.862 3.674 3.960 . 0 0 "[ . 1 . 2]" 1
336 1 40 LYS HB2 1 47 ALA HA 5.650 . 5.650 5.057 4.882 5.143 . 0 0 "[ . 1 . 2]" 1
337 1 40 LYS HA 1 47 ALA HA 3.530 . 3.530 2.361 2.193 2.523 . 0 0 "[ . 1 . 2]" 1
338 1 38 PRO HB2 1 47 ALA HA 5.100 . 5.100 5.139 5.111 5.162 0.062 4 0 "[ . 1 . 2]" 1
339 1 47 ALA H 1 47 ALA MB 2.620 . 2.620 2.299 2.212 2.329 . 0 0 "[ . 1 . 2]" 1
340 1 46 GLN QG 1 47 ALA H 3.900 . 3.900 3.921 3.888 3.949 0.049 13 0 "[ . 1 . 2]" 1
341 1 46 GLN HB3 1 47 ALA H 3.580 . 3.580 2.940 2.882 3.001 . 0 0 "[ . 1 . 2]" 1
342 1 46 GLN HB2 1 47 ALA H 4.830 . 4.830 4.061 4.012 4.112 . 0 0 "[ . 1 . 2]" 1
343 1 46 GLN HA 1 47 ALA H 2.700 . 2.700 2.295 2.271 2.316 . 0 0 "[ . 1 . 2]" 1
344 1 40 LYS QE 1 47 ALA H 4.500 . 4.500 4.014 3.726 4.290 . 0 0 "[ . 1 . 2]" 1
345 1 40 LYS HD2 1 47 ALA H 4.790 . 4.790 4.537 4.135 4.788 . 0 0 "[ . 1 . 2]" 1
346 1 46 GLN HE22 1 46 GLN QG 3.620 . 3.620 3.320 3.307 3.331 . 0 0 "[ . 1 . 2]" 1
347 1 45 ARG HA 1 46 GLN QG 5.690 . 5.690 5.404 5.342 5.473 . 0 0 "[ . 1 . 2]" 1
348 1 45 ARG H 1 46 GLN QG 5.200 . 5.200 5.143 5.074 5.191 . 0 0 "[ . 1 . 2]" 1
349 1 44 CYS HB3 1 46 GLN QG 4.800 . 4.800 4.786 4.668 4.826 0.026 19 0 "[ . 1 . 2]" 1
350 1 44 CYS HB2 1 46 GLN QG 4.240 . 4.240 3.649 3.520 3.706 . 0 0 "[ . 1 . 2]" 1
351 1 44 CYS HA 1 46 GLN QG 5.330 . 5.330 5.155 5.065 5.212 . 0 0 "[ . 1 . 2]" 1
352 1 41 CYS H 1 46 GLN QG 5.690 . 5.690 5.347 5.250 5.426 . 0 0 "[ . 1 . 2]" 1
353 1 22 CYS QB 1 46 GLN HE22 4.800 . 4.800 2.729 2.505 2.971 . 0 0 "[ . 1 . 2]" 1
354 1 22 CYS HA 1 46 GLN HE22 4.550 . 4.550 3.883 3.652 4.001 . 0 0 "[ . 1 . 2]" 1
355 1 21 GLU HB2 1 46 GLN HE22 4.790 . 4.790 4.072 3.590 4.420 . 0 0 "[ . 1 . 2]" 1
356 1 22 CYS HA 1 46 GLN HE21 5.600 . 5.600 5.579 5.370 5.675 0.075 7 0 "[ . 1 . 2]" 1
357 1 21 GLU HB2 1 46 GLN HE21 5.200 . 5.200 4.902 4.446 5.206 0.006 4 0 "[ . 1 . 2]" 1
358 1 46 GLN HB3 1 46 GLN HE21 4.330 . 4.330 3.929 3.706 4.104 . 0 0 "[ . 1 . 2]" 1
359 1 41 CYS HB3 1 46 GLN HB3 5.500 . 5.500 5.201 5.121 5.296 . 0 0 "[ . 1 . 2]" 1
360 1 41 CYS H 1 46 GLN HB3 5.100 . 5.100 4.754 4.676 4.859 . 0 0 "[ . 1 . 2]" 1
361 1 22 CYS QB 1 46 GLN HB3 5.000 . 5.000 4.997 4.917 5.037 0.037 18 0 "[ . 1 . 2]" 1
362 1 44 CYS H 1 46 GLN HB2 5.200 . 5.200 5.222 5.205 5.237 0.037 16 0 "[ . 1 . 2]" 1
363 1 41 CYS HB3 1 46 GLN HB2 4.880 . 4.880 3.535 3.458 3.632 . 0 0 "[ . 1 . 2]" 1
364 1 41 CYS H 1 46 GLN HB2 4.450 . 4.450 3.868 3.792 3.963 . 0 0 "[ . 1 . 2]" 1
365 1 40 LYS HB3 1 46 GLN HB2 5.900 . 5.900 5.511 5.322 5.618 . 0 0 "[ . 1 . 2]" 1
366 1 22 CYS QB 1 46 GLN HB2 4.400 . 4.400 4.300 4.215 4.359 . 0 0 "[ . 1 . 2]" 1
367 1 46 GLN HA 1 46 GLN QG 3.330 . 3.330 2.503 2.473 2.522 . 0 0 "[ . 1 . 2]" 1
368 1 46 GLN HA 1 46 GLN HE21 5.050 . 5.050 5.027 4.906 5.075 0.025 4 0 "[ . 1 . 2]" 1
369 1 40 LYS HB3 1 46 GLN HA 4.600 . 4.600 4.557 4.350 4.611 0.011 16 0 "[ . 1 . 2]" 1
370 1 46 GLN H 1 46 GLN QG 3.200 . 3.200 2.664 2.591 2.721 . 0 0 "[ . 1 . 2]" 1
371 1 46 GLN H 1 46 GLN HB3 3.670 . 3.670 3.619 3.597 3.637 . 0 0 "[ . 1 . 2]" 1
372 1 46 GLN H 1 46 GLN HB2 3.560 . 3.560 2.343 2.305 2.388 . 0 0 "[ . 1 . 2]" 1
373 1 45 ARG QG 1 46 GLN H 4.950 . 4.950 4.802 4.681 4.953 0.003 20 0 "[ . 1 . 2]" 1
374 1 45 ARG HA 1 46 GLN H 3.540 . 3.540 3.228 3.122 3.284 . 0 0 "[ . 1 . 2]" 1
375 1 45 ARG H 1 46 GLN H 3.430 . 3.430 2.915 2.890 2.956 . 0 0 "[ . 1 . 2]" 1
376 1 41 CYS HB3 1 46 GLN H 3.470 . 3.470 2.506 2.440 2.604 . 0 0 "[ . 1 . 2]" 1
377 1 41 CYS HB2 1 46 GLN H 3.650 . 3.650 2.861 2.791 2.922 . 0 0 "[ . 1 . 2]" 1
378 1 41 CYS H 1 46 GLN H 3.610 . 3.610 3.363 3.313 3.413 . 0 0 "[ . 1 . 2]" 1
379 1 40 LYS HB3 1 46 GLN H 4.430 . 4.430 4.180 4.059 4.289 . 0 0 "[ . 1 . 2]" 1
380 1 44 CYS HB2 1 45 ARG QG 5.690 . 5.690 5.458 5.122 5.703 0.013 9 0 "[ . 1 . 2]" 1
381 1 44 CYS HA 1 45 ARG QG 4.000 . 4.000 3.751 3.488 4.022 0.022 9 0 "[ . 1 . 2]" 1
382 1 42 PRO HA 1 45 ARG QG 5.690 . 5.690 5.084 4.418 5.491 . 0 0 "[ . 1 . 2]" 1
383 1 41 CYS HA 1 45 ARG HD3 6.000 . 6.000 5.923 5.483 6.056 0.056 19 0 "[ . 1 . 2]" 1
384 1 40 LYS HB3 1 45 ARG HD3 4.880 . 4.880 3.594 2.780 4.560 . 0 0 "[ . 1 . 2]" 1
385 1 40 LYS HG3 1 45 ARG HD2 5.640 . 5.640 4.069 3.259 4.660 . 0 0 "[ . 1 . 2]" 1
386 1 40 LYS HB2 1 45 ARG HD2 5.210 . 5.210 3.623 2.748 4.256 . 0 0 "[ . 1 . 2]" 1
387 1 45 ARG HB3 1 45 ARG HD3 3.640 . 3.640 3.114 2.640 3.646 0.006 6 0 "[ . 1 . 2]" 1
388 1 45 ARG HB3 1 45 ARG HD2 3.730 . 3.730 2.828 2.553 3.130 . 0 0 "[ . 1 . 2]" 1
389 1 40 LYS HG3 1 45 ARG HB3 4.490 . 4.490 4.101 3.860 4.198 . 0 0 "[ . 1 . 2]" 1
390 1 40 LYS HB3 1 45 ARG HB3 4.790 . 4.790 3.553 3.423 3.773 . 0 0 "[ . 1 . 2]" 1
391 1 45 ARG HB2 1 45 ARG HD3 4.020 . 4.020 3.815 3.697 3.997 . 0 0 "[ . 1 . 2]" 1
392 1 45 ARG HB2 1 45 ARG HD2 4.100 . 4.100 3.924 3.713 4.105 0.005 15 0 "[ . 1 . 2]" 1
393 1 44 CYS HA 1 45 ARG HB2 4.900 . 4.900 4.459 4.317 4.727 . 0 0 "[ . 1 . 2]" 1
394 1 40 LYS HG3 1 45 ARG HB2 5.850 . 5.850 5.808 5.591 5.862 0.012 20 0 "[ . 1 . 2]" 1
395 1 40 LYS HB3 1 45 ARG HB2 4.860 . 4.860 4.743 4.603 4.854 . 0 0 "[ . 1 . 2]" 1
396 1 40 LYS HB2 1 45 ARG HB2 5.700 . 5.700 5.681 5.530 5.752 0.052 14 0 "[ . 1 . 2]" 1
397 1 45 ARG HA 1 45 ARG QG 3.380 . 3.380 3.038 2.827 3.181 . 0 0 "[ . 1 . 2]" 1
398 1 45 ARG HA 1 45 ARG HD3 3.960 . 3.960 2.157 1.925 2.494 . 0 0 "[ . 1 . 2]" 1
399 1 45 ARG HA 1 45 ARG HD2 3.660 . 3.660 3.077 2.254 3.623 . 0 0 "[ . 1 . 2]" 1
400 1 44 CYS H 1 45 ARG HA 4.630 . 4.630 4.058 3.964 4.119 . 0 0 "[ . 1 . 2]" 1
401 1 41 CYS HB3 1 45 ARG HA 4.600 . 4.600 3.600 3.490 3.697 . 0 0 "[ . 1 . 2]" 1
402 1 41 CYS HB2 1 45 ARG HA 4.730 . 4.730 4.400 4.280 4.569 . 0 0 "[ . 1 . 2]" 1
403 1 41 CYS H 1 45 ARG HA 4.180 . 4.180 3.369 3.254 3.538 . 0 0 "[ . 1 . 2]" 1
404 1 40 LYS HG3 1 45 ARG HA 5.020 . 5.020 4.127 4.002 4.236 . 0 0 "[ . 1 . 2]" 1
405 1 40 LYS HD3 1 45 ARG HA 5.310 . 5.310 4.275 4.044 4.493 . 0 0 "[ . 1 . 2]" 1
406 1 40 LYS HD2 1 45 ARG HA 5.570 . 5.570 4.877 4.715 5.059 . 0 0 "[ . 1 . 2]" 1
407 1 40 LYS HB3 1 45 ARG HA 3.790 . 3.790 2.267 2.158 2.398 . 0 0 "[ . 1 . 2]" 1
408 1 40 LYS HB2 1 45 ARG HA 4.150 . 4.150 3.009 2.906 3.086 . 0 0 "[ . 1 . 2]" 1
409 1 40 LYS HA 1 45 ARG HA 4.560 . 4.560 4.358 4.231 4.537 . 0 0 "[ . 1 . 2]" 1
410 1 45 ARG H 1 45 ARG QG 3.270 . 3.270 3.053 2.776 3.257 . 0 0 "[ . 1 . 2]" 1
411 1 45 ARG H 1 45 ARG HD3 4.340 . 4.340 2.944 2.400 3.523 . 0 0 "[ . 1 . 2]" 1
412 1 45 ARG H 1 45 ARG HD2 4.900 . 4.900 4.359 3.554 4.907 0.007 19 0 "[ . 1 . 2]" 1
413 1 45 ARG H 1 45 ARG HB3 4.270 . 4.270 4.070 4.018 4.120 . 0 0 "[ . 1 . 2]" 1
414 1 45 ARG H 1 45 ARG HB2 4.080 . 4.080 3.719 3.587 3.855 . 0 0 "[ . 1 . 2]" 1
415 1 45 ARG H 1 45 ARG HA 2.910 . 2.910 2.124 2.090 2.164 . 0 0 "[ . 1 . 2]" 1
416 1 44 CYS HB3 1 45 ARG H 4.660 . 4.660 4.462 4.424 4.512 . 0 0 "[ . 1 . 2]" 1
417 1 44 CYS HB2 1 45 ARG H 4.600 . 4.600 4.535 4.505 4.569 . 0 0 "[ . 1 . 2]" 1
418 1 44 CYS H 1 45 ARG H 3.240 . 3.240 1.971 1.925 2.009 . 0 0 "[ . 1 . 2]" 1
419 1 43 ILE MG 1 45 ARG H 5.500 . 5.500 5.520 5.468 5.540 0.040 14 0 "[ . 1 . 2]" 1
420 1 43 ILE HB 1 45 ARG H 4.950 . 4.950 4.944 4.881 4.981 0.031 5 0 "[ . 1 . 2]" 1
421 1 43 ILE H 1 45 ARG H 4.140 . 4.140 3.626 3.563 3.689 . 0 0 "[ . 1 . 2]" 1
422 1 42 PRO HA 1 45 ARG H 4.980 . 4.980 4.174 4.094 4.268 . 0 0 "[ . 1 . 2]" 1
423 1 41 CYS HB3 1 45 ARG H 3.710 . 3.710 2.299 2.236 2.369 . 0 0 "[ . 1 . 2]" 1
424 1 41 CYS HB2 1 45 ARG H 4.180 . 4.180 3.811 3.714 3.905 . 0 0 "[ . 1 . 2]" 1
425 1 41 CYS HA 1 45 ARG H 4.730 . 4.730 4.520 4.449 4.570 . 0 0 "[ . 1 . 2]" 1
426 1 40 LYS HB3 1 45 ARG H 5.060 . 5.060 4.085 3.965 4.208 . 0 0 "[ . 1 . 2]" 1
427 1 43 ILE MG 1 44 CYS HB3 4.010 . 4.010 3.950 3.716 4.041 0.031 8 0 "[ . 1 . 2]" 1
428 1 43 ILE HB 1 44 CYS HB3 5.180 . 5.180 3.127 3.049 3.215 . 0 0 "[ . 1 . 2]" 1
429 1 43 ILE HA 1 44 CYS HB3 5.690 . 5.690 5.187 5.080 5.241 . 0 0 "[ . 1 . 2]" 1
430 1 43 ILE HB 1 44 CYS HB2 5.690 . 5.690 4.796 4.724 4.890 . 0 0 "[ . 1 . 2]" 1
431 1 44 CYS HA 1 44 CYS HB2 3.100 . 3.100 2.368 2.344 2.383 . 0 0 "[ . 1 . 2]" 1
432 1 43 ILE MG 1 44 CYS HA 4.230 . 4.230 4.195 4.107 4.259 0.029 13 0 "[ . 1 . 2]" 1
433 1 43 ILE HB 1 44 CYS HA 4.990 . 4.990 4.145 4.038 4.269 . 0 0 "[ . 1 . 2]" 1
434 1 43 ILE HA 1 44 CYS HA 4.780 . 4.780 4.538 4.517 4.556 . 0 0 "[ . 1 . 2]" 1
435 1 43 ILE H 1 44 CYS HA 5.280 . 5.280 4.962 4.927 4.995 . 0 0 "[ . 1 . 2]" 1
436 1 41 CYS HB3 1 44 CYS HA 5.170 . 5.170 4.411 4.348 4.483 . 0 0 "[ . 1 . 2]" 1
437 1 44 CYS H 1 44 CYS HB3 3.880 . 3.880 3.137 3.080 3.168 . 0 0 "[ . 1 . 2]" 1
438 1 44 CYS H 1 44 CYS HB2 4.010 . 4.010 3.949 3.926 3.989 . 0 0 "[ . 1 . 2]" 1
439 1 43 ILE MG 1 44 CYS H 4.200 . 4.200 4.147 4.097 4.179 . 0 0 "[ . 1 . 2]" 1
440 1 43 ILE MD 1 44 CYS H 4.730 . 4.730 4.655 4.569 4.728 . 0 0 "[ . 1 . 2]" 1
441 1 43 ILE HG13 1 44 CYS H 5.000 . 5.000 4.815 4.707 4.921 . 0 0 "[ . 1 . 2]" 1
442 1 43 ILE HB 1 44 CYS H 3.140 . 3.140 3.013 2.947 3.050 . 0 0 "[ . 1 . 2]" 1
443 1 43 ILE H 1 44 CYS H 3.250 . 3.250 2.303 2.262 2.332 . 0 0 "[ . 1 . 2]" 1
444 1 42 PRO HG2 1 44 CYS H 5.690 . 5.690 5.299 5.218 5.369 . 0 0 "[ . 1 . 2]" 1
445 1 41 CYS HB3 1 44 CYS H 4.010 . 4.010 2.069 1.997 2.132 . 0 0 "[ . 1 . 2]" 1
446 1 41 CYS HB2 1 44 CYS H 4.290 . 4.290 3.812 3.743 3.875 . 0 0 "[ . 1 . 2]" 1
447 1 41 CYS HA 1 44 CYS H 5.320 . 5.320 4.376 4.317 4.427 . 0 0 "[ . 1 . 2]" 1
448 1 43 ILE HG13 1 43 ILE MG 3.170 . 3.170 2.370 2.330 2.413 . 0 0 "[ . 1 . 2]" 1
449 1 43 ILE HG12 1 43 ILE MG 3.340 . 3.340 3.289 3.279 3.295 . 0 0 "[ . 1 . 2]" 1
450 1 24 HIS HD2 1 43 ILE MG 4.560 . 4.560 3.960 3.788 4.149 . 0 0 "[ . 1 . 2]" 1
451 1 24 HIS HB3 1 43 ILE MG 5.160 . 5.160 4.833 4.556 4.993 . 0 0 "[ . 1 . 2]" 1
452 1 24 HIS HB2 1 43 ILE MG 5.660 . 5.660 5.561 5.325 5.680 0.020 3 0 "[ . 1 . 2]" 1
453 1 42 PRO HG2 1 43 ILE MD 4.670 . 4.670 2.364 2.133 2.552 . 0 0 "[ . 1 . 2]" 1
454 1 42 PRO HD2 1 43 ILE MD 4.990 . 4.990 4.093 3.894 4.242 . 0 0 "[ . 1 . 2]" 1
455 1 42 PRO HB3 1 43 ILE MD 4.700 . 4.700 4.298 4.020 4.441 . 0 0 "[ . 1 . 2]" 1
456 1 42 PRO HB2 1 43 ILE MD 4.260 . 4.260 2.858 2.453 3.059 . 0 0 "[ . 1 . 2]" 1
457 1 42 PRO HA 1 43 ILE MD 4.730 . 4.730 4.650 4.444 4.738 0.008 16 0 "[ . 1 . 2]" 1
458 1 26 CYS HB3 1 43 ILE MD 3.990 . 3.990 2.232 2.057 2.381 . 0 0 "[ . 1 . 2]" 1
459 1 26 CYS HB2 1 43 ILE MD 3.440 . 3.440 2.601 2.368 2.842 . 0 0 "[ . 1 . 2]" 1
460 1 26 CYS HA 1 43 ILE MD 5.620 . 5.620 4.043 3.905 4.181 . 0 0 "[ . 1 . 2]" 1
461 1 24 HIS HD2 1 43 ILE MD 4.700 . 4.700 4.648 4.487 4.715 0.015 10 0 "[ . 1 . 2]" 1
462 1 24 HIS HB2 1 43 ILE MD 5.600 . 5.600 5.379 5.291 5.431 . 0 0 "[ . 1 . 2]" 1
463 1 24 HIS HA 1 43 ILE MD 5.800 . 5.800 5.827 5.803 5.856 0.056 12 0 "[ . 1 . 2]" 1
464 1 8 VAL MG2 1 43 ILE MD 3.480 . 3.480 2.103 1.982 2.285 . 0 0 "[ . 1 . 2]" 1
465 1 8 VAL HB 1 43 ILE MD 4.990 . 4.990 3.492 3.328 3.674 . 0 0 "[ . 1 . 2]" 1
466 1 42 PRO HD2 1 43 ILE HG13 5.190 . 5.190 5.011 4.854 5.119 . 0 0 "[ . 1 . 2]" 1
467 1 26 CYS HB2 1 43 ILE HG13 4.800 . 4.800 4.482 4.241 4.708 . 0 0 "[ . 1 . 2]" 1
468 1 24 HIS HB3 1 43 ILE HG13 4.040 . 4.040 3.050 2.786 3.242 . 0 0 "[ . 1 . 2]" 1
469 1 24 HIS HB2 1 43 ILE HG13 4.640 . 4.640 4.309 4.118 4.433 . 0 0 "[ . 1 . 2]" 1
470 1 42 PRO HD2 1 43 ILE HG12 4.550 . 4.550 3.354 3.206 3.462 . 0 0 "[ . 1 . 2]" 1
471 1 42 PRO HB3 1 43 ILE HG12 5.690 . 5.690 5.292 5.232 5.385 . 0 0 "[ . 1 . 2]" 1
472 1 42 PRO HB2 1 43 ILE HG12 4.570 . 4.570 4.121 3.986 4.300 . 0 0 "[ . 1 . 2]" 1
473 1 42 PRO HA 1 43 ILE HG12 5.360 . 5.360 5.094 5.043 5.138 . 0 0 "[ . 1 . 2]" 1
474 1 41 CYS HB3 1 43 ILE HG12 5.540 . 5.540 4.675 4.452 4.848 . 0 0 "[ . 1 . 2]" 1
475 1 26 CYS HB2 1 43 ILE HG12 4.280 . 4.280 3.850 3.636 4.038 . 0 0 "[ . 1 . 2]" 1
476 1 24 HIS HB3 1 43 ILE HG12 4.240 . 4.240 3.206 3.119 3.262 . 0 0 "[ . 1 . 2]" 1
477 1 24 HIS HB2 1 43 ILE HG12 5.280 . 5.280 4.239 4.136 4.284 . 0 0 "[ . 1 . 2]" 1
478 1 24 HIS HA 1 43 ILE HG12 5.700 . 5.700 5.714 5.689 5.732 0.032 14 0 "[ . 1 . 2]" 1
479 1 42 PRO HG2 1 43 ILE HB 5.210 . 5.210 5.223 5.180 5.232 0.022 11 0 "[ . 1 . 2]" 1
480 1 41 CYS HB3 1 43 ILE HB 4.940 . 4.940 4.536 4.428 4.656 . 0 0 "[ . 1 . 2]" 1
481 1 24 HIS HB3 1 43 ILE HB 4.930 . 4.930 4.265 3.971 4.454 . 0 0 "[ . 1 . 2]" 1
482 1 24 HIS HB2 1 43 ILE HB 5.030 . 5.030 4.652 4.360 4.822 . 0 0 "[ . 1 . 2]" 1
483 1 43 ILE HA 1 43 ILE MG 2.960 . 2.960 2.110 2.054 2.203 . 0 0 "[ . 1 . 2]" 1
484 1 43 ILE HA 1 43 ILE MD 3.050 . 3.050 2.462 2.368 2.665 . 0 0 "[ . 1 . 2]" 1
485 1 43 ILE HA 1 43 ILE HG13 3.960 . 3.960 3.986 3.965 3.999 0.039 3 0 "[ . 1 . 2]" 1
486 1 43 ILE HA 1 43 ILE HG12 3.680 . 3.680 3.513 3.478 3.561 . 0 0 "[ . 1 . 2]" 1
487 1 42 PRO HB2 1 43 ILE HA 4.700 . 4.700 4.150 4.064 4.270 . 0 0 "[ . 1 . 2]" 1
488 1 43 ILE H 1 43 ILE MG 4.080 . 4.080 3.786 3.746 3.822 . 0 0 "[ . 1 . 2]" 1
489 1 43 ILE H 1 43 ILE MD 3.860 . 3.860 3.038 2.830 3.156 . 0 0 "[ . 1 . 2]" 1
490 1 43 ILE H 1 43 ILE HG13 4.060 . 4.060 3.511 3.440 3.559 . 0 0 "[ . 1 . 2]" 1
491 1 43 ILE H 1 43 ILE HG12 3.530 . 3.530 1.958 1.878 2.013 . 0 0 "[ . 1 . 2]" 1
492 1 43 ILE H 1 43 ILE HB 3.400 . 3.400 2.906 2.811 2.963 . 0 0 "[ . 1 . 2]" 1
493 1 42 PRO HG3 1 43 ILE H 4.900 . 4.900 4.453 4.399 4.506 . 0 0 "[ . 1 . 2]" 1
494 1 42 PRO HG2 1 43 ILE H 4.160 . 4.160 3.046 2.963 3.125 . 0 0 "[ . 1 . 2]" 1
495 1 42 PRO HD3 1 43 ILE H 4.330 . 4.330 4.142 4.083 4.192 . 0 0 "[ . 1 . 2]" 1
496 1 42 PRO HD2 1 43 ILE H 4.310 . 4.310 3.055 2.971 3.118 . 0 0 "[ . 1 . 2]" 1
497 1 42 PRO HB3 1 43 ILE H 4.670 . 4.670 4.445 4.401 4.472 . 0 0 "[ . 1 . 2]" 1
498 1 42 PRO HB2 1 43 ILE H 4.250 . 4.250 3.617 3.492 3.723 . 0 0 "[ . 1 . 2]" 1
499 1 41 CYS HB3 1 43 ILE H 4.640 . 4.640 3.356 3.246 3.469 . 0 0 "[ . 1 . 2]" 1
500 1 41 CYS HB2 1 43 ILE H 4.810 . 4.810 4.663 4.591 4.753 . 0 0 "[ . 1 . 2]" 1
501 1 24 HIS HB3 1 43 ILE H 5.080 . 5.080 4.666 4.596 4.763 . 0 0 "[ . 1 . 2]" 1
502 1 19 PHE QE 1 43 ILE H 5.950 . 5.950 5.600 5.492 5.703 . 0 0 "[ . 1 . 2]" 1
503 1 8 VAL MG2 1 43 ILE H 5.390 . 5.390 4.427 4.253 4.682 . 0 0 "[ . 1 . 2]" 1
504 1 8 VAL MG2 1 42 PRO HG3 3.280 . 3.280 2.557 2.446 2.623 . 0 0 "[ . 1 . 2]" 1
505 1 27 SER QB 1 42 PRO HG2 5.360 . 5.360 4.637 4.428 4.864 . 0 0 "[ . 1 . 2]" 1
506 1 19 PHE QE 1 42 PRO HG2 4.450 . 4.450 3.777 3.658 4.040 . 0 0 "[ . 1 . 2]" 1
507 1 8 VAL MG2 1 42 PRO HG2 3.110 . 3.110 2.287 2.144 2.407 . 0 0 "[ . 1 . 2]" 1
508 1 41 CYS HB2 1 42 PRO HD3 5.070 . 5.070 5.103 5.078 5.117 0.047 8 0 "[ . 1 . 2]" 1
509 1 41 CYS HA 1 42 PRO HD3 3.410 . 3.410 2.521 2.468 2.548 . 0 0 "[ . 1 . 2]" 1
510 1 19 PHE QE 1 42 PRO HD3 3.690 . 3.690 2.427 2.164 2.605 . 0 0 "[ . 1 . 2]" 1
511 1 19 PHE QD 1 42 PRO HD3 4.300 . 4.300 3.506 3.204 3.654 . 0 0 "[ . 1 . 2]" 1
512 1 8 VAL MG2 1 42 PRO HD3 4.400 . 4.400 4.388 4.257 4.436 0.036 13 0 "[ . 1 . 2]" 1
513 1 41 CYS HB2 1 42 PRO HD2 4.780 . 4.780 4.422 4.370 4.470 . 0 0 "[ . 1 . 2]" 1
514 1 19 PHE QE 1 42 PRO HD2 3.740 . 3.740 2.626 2.511 2.773 . 0 0 "[ . 1 . 2]" 1
515 1 19 PHE QD 1 42 PRO HD2 4.100 . 4.100 2.503 2.380 2.629 . 0 0 "[ . 1 . 2]" 1
516 1 8 VAL MG2 1 42 PRO HD2 4.660 . 4.660 4.237 4.096 4.341 . 0 0 "[ . 1 . 2]" 1
517 1 26 CYS HB2 1 42 PRO HB3 5.690 . 5.690 4.905 4.657 5.254 . 0 0 "[ . 1 . 2]" 1
518 1 8 VAL MG2 1 42 PRO HB3 3.240 . 3.240 2.941 2.854 3.069 . 0 0 "[ . 1 . 2]" 1
519 1 8 VAL MG1 1 42 PRO HB3 5.400 . 5.400 5.411 5.345 5.440 0.040 2 0 "[ . 1 . 2]" 1
520 1 8 VAL MG2 1 42 PRO HB2 3.360 . 3.360 2.189 2.051 2.338 . 0 0 "[ . 1 . 2]" 1
521 1 8 VAL MG1 1 42 PRO HB2 4.200 . 4.200 4.227 4.203 4.254 0.054 10 0 "[ . 1 . 2]" 1
522 1 8 VAL MG2 1 42 PRO HA 4.600 . 4.600 4.463 4.333 4.608 0.008 14 0 "[ . 1 . 2]" 1
523 1 40 LYS HA 1 41 CYS HB3 5.130 . 5.130 5.123 5.060 5.148 0.018 13 0 "[ . 1 . 2]" 1
524 1 19 PHE QD 1 41 CYS HB3 5.650 . 5.650 5.175 5.010 5.308 . 0 0 "[ . 1 . 2]" 1
525 1 19 PHE QE 1 41 CYS HA 4.090 . 4.090 3.629 3.424 3.900 . 0 0 "[ . 1 . 2]" 1
526 1 19 PHE QD 1 41 CYS HA 4.100 . 4.100 2.855 2.545 3.093 . 0 0 "[ . 1 . 2]" 1
527 1 19 PHE HB3 1 41 CYS HA 5.640 . 5.640 4.623 4.498 4.751 . 0 0 "[ . 1 . 2]" 1
528 1 41 CYS H 1 41 CYS HB3 3.400 . 3.400 2.939 2.908 2.975 . 0 0 "[ . 1 . 2]" 1
529 1 41 CYS H 1 41 CYS HB2 3.390 . 3.390 2.165 2.132 2.198 . 0 0 "[ . 1 . 2]" 1
530 1 40 LYS HG3 1 41 CYS H 5.670 . 5.670 5.109 5.031 5.186 . 0 0 "[ . 1 . 2]" 1
531 1 40 LYS HG2 1 41 CYS H 5.270 . 5.270 4.938 4.863 4.987 . 0 0 "[ . 1 . 2]" 1
532 1 40 LYS HB3 1 41 CYS H 3.670 . 3.670 2.662 2.581 2.736 . 0 0 "[ . 1 . 2]" 1
533 1 40 LYS HB2 1 41 CYS H 4.310 . 4.310 3.605 3.487 3.677 . 0 0 "[ . 1 . 2]" 1
534 1 40 LYS HA 1 41 CYS H 3.130 . 3.130 2.207 2.156 2.247 . 0 0 "[ . 1 . 2]" 1
535 1 39 LYS HB2 1 40 LYS QE 5.530 . 5.530 5.448 5.269 5.545 0.015 18 0 "[ . 1 . 2]" 1
536 1 38 PRO QG 1 40 LYS QE 4.100 . 4.100 3.875 3.606 4.107 0.007 4 0 "[ . 1 . 2]" 1
537 1 38 PRO HB3 1 40 LYS QE 4.800 . 4.800 4.479 4.183 4.691 . 0 0 "[ . 1 . 2]" 1
538 1 38 PRO HB2 1 40 LYS QE 3.590 . 3.590 2.943 2.639 3.184 . 0 0 "[ . 1 . 2]" 1
539 1 40 LYS QE 1 40 LYS HG3 3.700 . 3.700 3.546 3.467 3.582 . 0 0 "[ . 1 . 2]" 1
540 1 40 LYS QE 1 40 LYS HG2 3.780 . 3.780 2.645 2.442 2.756 . 0 0 "[ . 1 . 2]" 1
541 1 38 PRO HB2 1 40 LYS HE3 4.260 . 4.260 3.121 2.747 3.433 . 0 0 "[ . 1 . 2]" 1
542 1 38 PRO HB2 1 40 LYS HE2 4.260 . 4.260 3.615 3.263 3.959 . 0 0 "[ . 1 . 2]" 1
543 1 40 LYS HB3 1 40 LYS QE 5.030 . 5.030 3.886 3.684 4.033 . 0 0 "[ . 1 . 2]" 1
544 1 40 LYS HB2 1 40 LYS QE 4.780 . 4.780 4.423 4.223 4.538 . 0 0 "[ . 1 . 2]" 1
545 1 39 LYS HA 1 40 LYS HB2 5.140 . 5.140 4.722 4.628 4.813 . 0 0 "[ . 1 . 2]" 1
546 1 40 LYS HA 1 40 LYS HG3 4.210 . 4.210 3.955 3.919 3.983 . 0 0 "[ . 1 . 2]" 1
547 1 40 LYS HA 1 40 LYS HG2 4.020 . 4.020 3.185 3.117 3.255 . 0 0 "[ . 1 . 2]" 1
548 1 40 LYS HA 1 40 LYS HD3 4.050 . 4.050 2.567 2.407 2.743 . 0 0 "[ . 1 . 2]" 1
549 1 40 LYS HA 1 40 LYS HD2 4.220 . 4.220 4.102 3.991 4.186 . 0 0 "[ . 1 . 2]" 1
550 1 40 LYS H 1 40 LYS QE 5.230 . 5.230 3.949 3.729 4.084 . 0 0 "[ . 1 . 2]" 1
551 1 40 LYS H 1 40 LYS HG3 4.220 . 4.220 3.861 3.774 3.993 . 0 0 "[ . 1 . 2]" 1
552 1 40 LYS H 1 40 LYS HG2 3.450 . 3.450 2.565 2.472 2.742 . 0 0 "[ . 1 . 2]" 1
553 1 40 LYS H 1 40 LYS HD3 4.700 . 4.700 4.503 4.353 4.637 . 0 0 "[ . 1 . 2]" 1
554 1 40 LYS H 1 40 LYS HB3 3.990 . 3.990 3.770 3.729 3.807 . 0 0 "[ . 1 . 2]" 1
555 1 40 LYS H 1 40 LYS HB2 3.300 . 3.300 2.720 2.640 2.786 . 0 0 "[ . 1 . 2]" 1
556 1 39 LYS HB3 1 40 LYS H 4.620 . 4.620 2.802 2.591 2.977 . 0 0 "[ . 1 . 2]" 1
557 1 39 LYS HB2 1 40 LYS H 4.100 . 4.100 4.020 3.894 4.118 0.018 2 0 "[ . 1 . 2]" 1
558 1 39 LYS HA 1 40 LYS H 2.810 . 2.810 2.135 2.063 2.231 . 0 0 "[ . 1 . 2]" 1
559 1 39 LYS H 1 40 LYS H 4.820 . 4.820 4.504 4.457 4.557 . 0 0 "[ . 1 . 2]" 1
560 1 37 GLU HG3 1 39 LYS HG3 3.910 . 3.910 1.989 1.947 2.063 . 0 0 "[ . 1 . 2]" 1
561 1 37 GLU HG2 1 39 LYS HG3 4.500 . 4.500 3.759 3.665 3.850 . 0 0 "[ . 1 . 2]" 1
562 1 37 GLU HB2 1 39 LYS HG3 5.510 . 5.510 3.677 3.489 3.994 . 0 0 "[ . 1 . 2]" 1
563 1 32 TYR HA 1 39 LYS HG3 5.690 . 5.690 5.355 5.146 5.521 . 0 0 "[ . 1 . 2]" 1
564 1 37 GLU HG3 1 39 LYS HG2 4.550 . 4.550 3.212 3.021 3.447 . 0 0 "[ . 1 . 2]" 1
565 1 38 PRO HA 1 39 LYS HE3 3.560 . 3.560 3.485 3.193 3.602 0.042 20 0 "[ . 1 . 2]" 1
566 1 37 GLU HG3 1 39 LYS HE3 4.900 . 4.900 3.781 3.367 3.990 . 0 0 "[ . 1 . 2]" 1
567 1 37 GLU HA 1 39 LYS HE3 5.690 . 5.690 5.412 5.045 5.606 . 0 0 "[ . 1 . 2]" 1
568 1 35 LEU HG 1 39 LYS HE3 5.000 . 5.000 5.008 4.846 5.040 0.040 20 0 "[ . 1 . 2]" 1
569 1 35 LEU HB3 1 39 LYS HE3 5.400 . 5.400 5.424 5.329 5.453 0.053 2 0 "[ . 1 . 2]" 1
570 1 32 TYR HA 1 39 LYS HE3 5.690 . 5.690 5.308 4.931 5.698 0.008 2 0 "[ . 1 . 2]" 1
571 1 37 GLU HG3 1 39 LYS HE2 4.210 . 4.210 2.865 2.375 3.373 . 0 0 "[ . 1 . 2]" 1
572 1 37 GLU HG2 1 39 LYS HE2 4.730 . 4.730 4.230 3.877 4.741 0.011 2 0 "[ . 1 . 2]" 1
573 1 37 GLU HB2 1 39 LYS HE2 5.900 . 5.900 4.801 4.232 5.402 . 0 0 "[ . 1 . 2]" 1
574 1 37 GLU HA 1 39 LYS HE2 5.690 . 5.690 4.755 4.502 5.155 . 0 0 "[ . 1 . 2]" 1
575 1 35 LEU HG 1 39 LYS HE2 4.690 . 4.690 3.571 3.209 4.258 . 0 0 "[ . 1 . 2]" 1
576 1 32 TYR QE 1 39 LYS HE2 5.130 . 5.130 4.916 4.745 5.120 . 0 0 "[ . 1 . 2]" 1
577 1 32 TYR HA 1 39 LYS HE2 5.130 . 5.130 4.860 4.678 5.048 . 0 0 "[ . 1 . 2]" 1
578 1 37 GLU HG3 1 39 LYS HD3 5.680 . 5.680 3.716 3.514 3.862 . 0 0 "[ . 1 . 2]" 1
579 1 35 LEU HG 1 39 LYS HD3 4.730 . 4.730 3.458 3.075 3.912 . 0 0 "[ . 1 . 2]" 1
580 1 35 LEU HB3 1 39 LYS HD3 4.170 . 4.170 2.827 2.636 3.147 . 0 0 "[ . 1 . 2]" 1
581 1 35 LEU HB2 1 39 LYS HD3 5.230 . 5.230 4.581 4.329 4.931 . 0 0 "[ . 1 . 2]" 1
582 1 33 ARG HA 1 39 LYS HD3 5.800 . 5.800 5.600 5.186 5.831 0.031 3 0 "[ . 1 . 2]" 1
583 1 32 TYR QE 1 39 LYS HD3 4.540 . 4.540 4.399 4.196 4.549 0.009 10 0 "[ . 1 . 2]" 1
584 1 32 TYR QB 1 39 LYS HD3 5.300 . 5.300 4.486 4.330 4.627 . 0 0 "[ . 1 . 2]" 1
585 1 32 TYR HA 1 39 LYS HD3 4.610 . 4.610 2.733 2.581 2.895 . 0 0 "[ . 1 . 2]" 1
586 1 38 PRO HA 1 39 LYS HD2 5.700 . 5.700 5.721 5.700 5.745 0.045 19 0 "[ . 1 . 2]" 1
587 1 35 LEU HG 1 39 LYS HD2 5.690 . 5.690 5.058 4.730 5.454 . 0 0 "[ . 1 . 2]" 1
588 1 32 TYR QE 1 39 LYS HD2 4.850 . 4.850 2.759 2.554 2.940 . 0 0 "[ . 1 . 2]" 1
589 1 32 TYR HA 1 39 LYS HD2 5.090 . 5.090 3.292 2.992 3.551 . 0 0 "[ . 1 . 2]" 1
590 1 37 GLU HG3 1 39 LYS HB3 5.510 . 5.510 4.822 4.712 4.992 . 0 0 "[ . 1 . 2]" 1
591 1 35 LEU HG 1 39 LYS HB3 5.800 . 5.800 5.809 5.707 5.841 0.041 2 0 "[ . 1 . 2]" 1
592 1 32 TYR HA 1 39 LYS HB3 5.600 . 5.600 5.480 5.069 5.618 0.018 14 0 "[ . 1 . 2]" 1
593 1 39 LYS HB2 1 39 LYS HE3 4.370 . 4.370 2.696 2.506 2.853 . 0 0 "[ . 1 . 2]" 1
594 1 39 LYS HB2 1 39 LYS HE2 4.500 . 4.500 3.944 3.738 4.163 . 0 0 "[ . 1 . 2]" 1
595 1 39 LYS HB2 1 39 LYS HD3 3.990 . 3.990 3.549 3.536 3.571 . 0 0 "[ . 1 . 2]" 1
596 1 39 LYS HB2 1 39 LYS HD2 3.630 . 3.630 2.177 2.148 2.227 . 0 0 "[ . 1 . 2]" 1
597 1 38 PRO HA 1 39 LYS HB2 5.050 . 5.050 4.542 4.492 4.624 . 0 0 "[ . 1 . 2]" 1
598 1 32 TYR HA 1 39 LYS HB2 5.600 . 5.600 5.366 5.015 5.608 0.008 8 0 "[ . 1 . 2]" 1
599 1 39 LYS HA 1 39 LYS HE2 5.300 . 5.300 4.684 4.332 5.125 . 0 0 "[ . 1 . 2]" 1
600 1 39 LYS HA 1 39 LYS HD3 5.390 . 5.390 4.787 4.751 4.834 . 0 0 "[ . 1 . 2]" 1
601 1 39 LYS HA 1 39 LYS HD2 4.730 . 4.730 4.469 4.431 4.519 . 0 0 "[ . 1 . 2]" 1
602 1 38 PRO QG 1 39 LYS HA 5.390 . 5.390 5.073 4.981 5.395 0.005 18 0 "[ . 1 . 2]" 1
603 1 38 PRO HB2 1 39 LYS HA 5.200 . 5.200 4.742 4.710 4.774 . 0 0 "[ . 1 . 2]" 1
604 1 35 LEU HG 1 39 LYS HA 5.300 . 5.300 5.333 5.287 5.363 0.063 15 0 "[ . 1 . 2]" 1
605 1 39 LYS H 1 39 LYS HG3 3.340 . 3.340 3.139 2.995 3.272 . 0 0 "[ . 1 . 2]" 1
606 1 39 LYS H 1 39 LYS HG2 4.400 . 4.400 4.350 4.255 4.413 0.013 18 0 "[ . 1 . 2]" 1
607 1 39 LYS H 1 39 LYS HE3 4.650 . 4.650 2.479 2.188 2.663 . 0 0 "[ . 1 . 2]" 1
608 1 39 LYS H 1 39 LYS HE2 4.780 . 4.780 3.926 3.615 4.224 . 0 0 "[ . 1 . 2]" 1
609 1 39 LYS H 1 39 LYS HD3 5.140 . 5.140 4.859 4.777 4.916 . 0 0 "[ . 1 . 2]" 1
610 1 39 LYS H 1 39 LYS HD2 3.900 . 3.900 3.921 3.907 3.935 0.035 17 0 "[ . 1 . 2]" 1
611 1 39 LYS H 1 39 LYS HB3 4.350 . 4.350 3.622 3.584 3.648 . 0 0 "[ . 1 . 2]" 1
612 1 39 LYS H 1 39 LYS HB2 3.260 . 3.260 2.339 2.292 2.390 . 0 0 "[ . 1 . 2]" 1
613 1 38 PRO QG 1 39 LYS H 5.020 . 5.020 4.939 4.893 5.039 0.019 18 0 "[ . 1 . 2]" 1
614 1 38 PRO HD3 1 39 LYS H 5.700 . 5.700 5.688 5.651 5.723 0.023 18 0 "[ . 1 . 2]" 1
615 1 38 PRO HD2 1 39 LYS H 5.640 . 5.640 5.455 5.226 5.564 . 0 0 "[ . 1 . 2]" 1
616 1 38 PRO HB3 1 39 LYS H 4.590 . 4.590 4.266 4.179 4.299 . 0 0 "[ . 1 . 2]" 1
617 1 38 PRO HB2 1 39 LYS H 4.240 . 4.240 3.842 3.812 3.869 . 0 0 "[ . 1 . 2]" 1
618 1 38 PRO HA 1 39 LYS H 2.880 . 2.880 2.257 2.234 2.281 . 0 0 "[ . 1 . 2]" 1
619 1 37 GLU HG3 1 39 LYS H 4.500 . 4.500 4.505 4.394 4.523 0.023 9 0 "[ . 1 . 2]" 1
620 1 37 GLU HA 1 38 PRO QG 4.480 . 4.480 4.371 4.286 4.411 . 0 0 "[ . 1 . 2]" 1
621 1 37 GLU HA 1 38 PRO HB3 5.400 . 5.400 5.407 5.371 5.435 0.035 18 0 "[ . 1 . 2]" 1
622 1 37 GLU HG3 1 38 PRO HA 4.950 . 4.950 4.967 4.870 4.991 0.041 12 0 "[ . 1 . 2]" 1
623 1 36 PRO HD2 1 37 GLU HG3 5.900 . 5.900 5.266 5.197 5.437 . 0 0 "[ . 1 . 2]" 1
624 1 36 PRO HD2 1 37 GLU HG2 4.750 . 4.750 4.128 3.849 4.492 . 0 0 "[ . 1 . 2]" 1
625 1 35 LEU QD 1 37 GLU HG2 2.980 . 2.980 2.177 2.084 2.365 . 0 0 "[ . 1 . 2]" 1
626 1 35 LEU HB3 1 37 GLU HG2 4.610 . 4.610 4.536 4.334 4.628 0.018 20 0 "[ . 1 . 2]" 1
627 1 35 LEU HB2 1 37 GLU HG2 5.500 . 5.500 5.042 4.975 5.176 . 0 0 "[ . 1 . 2]" 1
628 1 35 LEU HA 1 37 GLU HG2 5.000 . 5.000 4.755 4.586 5.009 0.009 1 0 "[ . 1 . 2]" 1
629 1 35 LEU QD 1 37 GLU HB3 4.920 . 4.920 3.765 3.608 3.925 . 0 0 "[ . 1 . 2]" 1
630 1 37 GLU HA 1 37 GLU HG3 3.900 . 3.900 3.753 3.710 3.795 . 0 0 "[ . 1 . 2]" 1
631 1 37 GLU HA 1 37 GLU HG2 4.340 . 4.340 3.637 3.495 3.847 . 0 0 "[ . 1 . 2]" 1
632 1 37 GLU H 1 37 GLU HG3 3.700 . 3.700 2.476 2.380 2.597 . 0 0 "[ . 1 . 2]" 1
633 1 37 GLU H 1 37 GLU HG2 3.640 . 3.640 3.269 3.097 3.455 . 0 0 "[ . 1 . 2]" 1
634 1 37 GLU H 1 37 GLU HB3 3.900 . 3.900 3.863 3.832 3.892 . 0 0 "[ . 1 . 2]" 1
635 1 36 PRO QB 1 37 GLU H 4.170 . 4.170 3.632 3.589 3.663 . 0 0 "[ . 1 . 2]" 1
636 1 36 PRO HG2 1 37 GLU H 5.300 . 5.300 5.271 5.185 5.305 0.005 12 0 "[ . 1 . 2]" 1
637 1 36 PRO HA 1 37 GLU H 2.800 . 2.800 2.132 2.098 2.164 . 0 0 "[ . 1 . 2]" 1
638 1 35 LEU QD 1 36 PRO HG2 4.200 . 4.200 4.184 4.085 4.231 0.031 7 0 "[ . 1 . 2]" 1
639 1 35 LEU QD 1 36 PRO HD3 3.820 . 3.820 3.176 3.098 3.254 . 0 0 "[ . 1 . 2]" 1
640 1 35 LEU HB3 1 36 PRO HD3 5.450 . 5.450 4.937 4.893 4.981 . 0 0 "[ . 1 . 2]" 1
641 1 35 LEU HB2 1 36 PRO HD3 5.320 . 5.320 4.710 4.667 4.769 . 0 0 "[ . 1 . 2]" 1
642 1 35 LEU HA 1 36 PRO HD3 3.050 . 3.050 2.217 2.162 2.286 . 0 0 "[ . 1 . 2]" 1
643 1 35 LEU H 1 36 PRO HD3 4.700 . 4.700 4.389 4.335 4.433 . 0 0 "[ . 1 . 2]" 1
644 1 34 ALA MB 1 36 PRO HD3 4.650 . 4.650 4.427 4.253 4.591 . 0 0 "[ . 1 . 2]" 1
645 1 35 LEU QD 1 36 PRO HD2 3.430 . 3.430 2.254 2.204 2.306 . 0 0 "[ . 1 . 2]" 1
646 1 35 LEU HB3 1 36 PRO HD2 5.100 . 5.100 5.132 5.119 5.152 0.052 18 0 "[ . 1 . 2]" 1
647 1 35 LEU HB2 1 36 PRO HD2 5.100 . 5.100 4.974 4.867 5.070 . 0 0 "[ . 1 . 2]" 1
648 1 35 LEU HA 1 36 PRO HD2 3.190 . 3.190 2.798 2.743 2.848 . 0 0 "[ . 1 . 2]" 1
649 1 35 LEU H 1 36 PRO HD2 5.400 . 5.400 5.399 5.373 5.414 0.014 8 0 "[ . 1 . 2]" 1
650 1 35 LEU QD 1 36 PRO HA 4.640 . 4.640 4.124 4.010 4.236 . 0 0 "[ . 1 . 2]" 1
651 1 32 TYR QB 1 35 LEU HB3 5.900 . 5.900 5.509 5.407 5.634 . 0 0 "[ . 1 . 2]" 1
652 1 32 TYR HA 1 35 LEU HB3 4.370 . 4.370 3.533 3.431 3.692 . 0 0 "[ . 1 . 2]" 1
653 1 31 CYS HA 1 35 LEU HB2 4.960 . 4.960 4.547 4.235 4.871 . 0 0 "[ . 1 . 2]" 1
654 1 35 LEU HA 1 35 LEU QD 3.120 . 3.120 2.174 2.111 2.226 . 0 0 "[ . 1 . 2]" 1
655 1 35 LEU HA 1 35 LEU HG 3.710 . 3.710 3.386 3.306 3.462 . 0 0 "[ . 1 . 2]" 1
656 1 35 LEU H 1 35 LEU QD 4.000 . 4.000 3.789 3.751 3.832 . 0 0 "[ . 1 . 2]" 1
657 1 35 LEU H 1 35 LEU HG 4.830 . 4.830 4.374 4.320 4.475 . 0 0 "[ . 1 . 2]" 1
658 1 35 LEU H 1 35 LEU HB3 3.450 . 3.450 2.397 2.328 2.518 . 0 0 "[ . 1 . 2]" 1
659 1 35 LEU H 1 35 LEU HB2 3.460 . 3.460 2.611 2.513 2.699 . 0 0 "[ . 1 . 2]" 1
660 1 34 ALA MB 1 35 LEU H 3.290 . 3.290 2.379 2.324 2.466 . 0 0 "[ . 1 . 2]" 1
661 1 34 ALA HA 1 35 LEU H 3.650 . 3.650 3.621 3.576 3.663 0.013 1 0 "[ . 1 . 2]" 1
662 1 34 ALA H 1 35 LEU H 3.240 . 3.240 2.653 2.570 2.725 . 0 0 "[ . 1 . 2]" 1
663 1 33 ARG QD 1 35 LEU H 6.000 . 6.000 5.886 5.326 6.081 0.081 18 0 "[ . 1 . 2]" 1
664 1 33 ARG QB 1 35 LEU H 5.500 . 5.500 5.293 5.016 5.519 0.019 15 0 "[ . 1 . 2]" 1
665 1 33 ARG HA 1 35 LEU H 4.700 . 4.700 4.662 4.496 4.732 0.032 16 0 "[ . 1 . 2]" 1
666 1 33 ARG H 1 35 LEU H 4.570 . 4.570 4.465 4.385 4.536 . 0 0 "[ . 1 . 2]" 1
667 1 32 TYR HA 1 35 LEU H 4.020 . 4.020 3.919 3.849 3.996 . 0 0 "[ . 1 . 2]" 1
668 1 31 CYS HA 1 35 LEU H 4.830 . 4.830 4.024 3.798 4.144 . 0 0 "[ . 1 . 2]" 1
669 1 33 ARG QB 1 34 ALA MB 5.000 . 5.000 4.437 3.967 4.838 . 0 0 "[ . 1 . 2]" 1
670 1 33 ARG HA 1 34 ALA MB 5.200 . 5.200 5.058 5.026 5.090 . 0 0 "[ . 1 . 2]" 1
671 1 33 ARG H 1 34 ALA MB 4.560 . 4.560 4.415 4.368 4.465 . 0 0 "[ . 1 . 2]" 1
672 1 32 TYR QB 1 34 ALA MB 5.800 . 5.800 5.569 5.516 5.615 . 0 0 "[ . 1 . 2]" 1
673 1 32 TYR HA 1 34 ALA MB 5.690 . 5.690 5.175 5.115 5.247 . 0 0 "[ . 1 . 2]" 1
674 1 31 CYS HB3 1 34 ALA MB 5.100 . 5.100 5.124 5.103 5.162 0.062 12 0 "[ . 1 . 2]" 1
675 1 31 CYS HB2 1 34 ALA MB 5.500 . 5.500 5.509 5.474 5.539 0.039 15 0 "[ . 1 . 2]" 1
676 1 31 CYS HA 1 34 ALA MB 3.040 . 3.040 3.021 2.954 3.051 0.011 20 0 "[ . 1 . 2]" 1
677 1 31 CYS H 1 34 ALA MB 4.700 . 4.700 4.687 4.595 4.718 0.018 8 0 "[ . 1 . 2]" 1
678 1 30 GLU HG2 1 34 ALA MB 5.500 . 5.500 5.342 4.838 5.545 0.045 1 0 "[ . 1 . 2]" 1
679 1 30 GLU HB2 1 34 ALA MB 5.380 . 5.380 4.670 4.351 4.843 . 0 0 "[ . 1 . 2]" 1
680 1 33 ARG QD 1 34 ALA HA 4.000 . 4.000 3.579 2.917 4.017 0.017 20 0 "[ . 1 . 2]" 1
681 1 33 ARG QB 1 34 ALA HA 4.910 . 4.910 4.209 3.844 4.413 . 0 0 "[ . 1 . 2]" 1
682 1 33 ARG HA 1 34 ALA HA 5.030 . 5.030 4.689 4.657 4.725 . 0 0 "[ . 1 . 2]" 1
683 1 33 ARG H 1 34 ALA HA 5.430 . 5.430 5.178 5.119 5.234 . 0 0 "[ . 1 . 2]" 1
684 1 34 ALA H 1 34 ALA MB 2.780 . 2.780 2.362 2.344 2.392 . 0 0 "[ . 1 . 2]" 1
685 1 33 ARG QB 1 34 ALA H 3.740 . 3.740 3.262 2.765 3.693 . 0 0 "[ . 1 . 2]" 1
686 1 33 ARG H 1 34 ALA H 3.640 . 3.640 2.577 2.537 2.646 . 0 0 "[ . 1 . 2]" 1
687 1 32 TYR HA 1 34 ALA H 4.830 . 4.830 4.375 4.303 4.485 . 0 0 "[ . 1 . 2]" 1
688 1 31 CYS HA 1 34 ALA H 4.000 . 4.000 3.991 3.881 4.054 0.054 15 0 "[ . 1 . 2]" 1
689 1 31 CYS H 1 34 ALA H 5.050 . 5.050 4.723 4.631 4.798 . 0 0 "[ . 1 . 2]" 1
690 1 30 GLU HB3 1 34 ALA H 5.360 . 5.360 4.787 4.498 4.964 . 0 0 "[ . 1 . 2]" 1
691 1 32 TYR QD 1 33 ARG QG 5.400 . 5.400 4.162 3.630 4.596 . 0 0 "[ . 1 . 2]" 1
692 1 30 GLU HA 1 33 ARG QG 5.000 . 5.000 3.423 2.051 5.040 0.040 5 0 "[ . 1 . 2]" 1
693 1 29 THR MG 1 33 ARG QG 4.300 . 4.300 3.374 2.335 4.327 0.027 16 0 "[ . 1 . 2]" 1
694 1 32 TYR QD 1 33 ARG QD 5.900 . 5.900 5.736 5.473 5.970 0.070 13 0 "[ . 1 . 2]" 1
695 1 30 GLU HA 1 33 ARG QD 4.800 . 4.800 3.693 2.310 4.819 0.019 3 0 "[ . 1 . 2]" 1
696 1 33 ARG QB 1 33 ARG QD 2.870 . 2.870 2.208 2.039 2.570 . 0 0 "[ . 1 . 2]" 1
697 1 32 TYR QD 1 33 ARG QB 4.520 . 4.520 3.102 2.763 3.417 . 0 0 "[ . 1 . 2]" 1
698 1 32 TYR QB 1 33 ARG QB 4.590 . 4.590 3.652 3.433 3.922 . 0 0 "[ . 1 . 2]" 1
699 1 32 TYR HA 1 33 ARG QB 5.690 . 5.690 5.397 5.211 5.562 . 0 0 "[ . 1 . 2]" 1
700 1 32 TYR H 1 33 ARG QB 5.030 . 5.030 4.750 4.313 5.088 0.058 11 0 "[ . 1 . 2]" 1
701 1 30 GLU HA 1 33 ARG QB 4.510 . 4.510 3.657 2.718 4.521 0.011 18 0 "[ . 1 . 2]" 1
702 1 29 THR MG 1 33 ARG QB 4.080 . 4.080 3.277 2.875 3.549 . 0 0 "[ . 1 . 2]" 1
703 1 29 THR HA 1 33 ARG QB 5.100 . 5.100 4.670 4.191 5.110 0.010 11 0 "[ . 1 . 2]" 1
704 1 33 ARG HA 1 33 ARG QG 3.820 . 3.820 2.910 2.145 3.452 . 0 0 "[ . 1 . 2]" 1
705 1 32 TYR QE 1 33 ARG HA 5.110 . 5.110 4.254 3.933 4.511 . 0 0 "[ . 1 . 2]" 1
706 1 32 TYR QD 1 33 ARG HA 4.350 . 4.350 2.942 2.761 3.118 . 0 0 "[ . 1 . 2]" 1
707 1 32 TYR HA 1 33 ARG HA 5.090 . 5.090 4.687 4.611 4.755 . 0 0 "[ . 1 . 2]" 1
708 1 29 THR MG 1 33 ARG HA 5.300 . 5.300 5.272 4.952 5.334 0.034 11 0 "[ . 1 . 2]" 1
709 1 33 ARG H 1 33 ARG QG 4.140 . 4.140 2.962 1.963 4.012 . 0 0 "[ . 1 . 2]" 1
710 1 33 ARG H 1 33 ARG QD 4.600 . 4.600 4.294 3.898 4.628 0.028 3 0 "[ . 1 . 2]" 1
711 1 33 ARG H 1 33 ARG QB 3.270 . 3.270 2.416 2.112 2.673 . 0 0 "[ . 1 . 2]" 1
712 1 32 TYR QD 1 33 ARG H 4.200 . 4.200 3.116 2.841 3.338 . 0 0 "[ . 1 . 2]" 1
713 1 32 TYR QB 1 33 ARG H 3.580 . 3.580 2.246 2.191 2.296 . 0 0 "[ . 1 . 2]" 1
714 1 32 TYR H 1 33 ARG H 3.980 . 3.980 2.697 2.660 2.741 . 0 0 "[ . 1 . 2]" 1
715 1 31 CYS HB2 1 33 ARG H 5.950 . 5.950 5.448 5.353 5.560 . 0 0 "[ . 1 . 2]" 1
716 1 31 CYS H 1 33 ARG H 4.780 . 4.780 4.360 4.259 4.479 . 0 0 "[ . 1 . 2]" 1
717 1 30 GLU HA 1 33 ARG H 4.800 . 4.800 3.543 3.422 3.696 . 0 0 "[ . 1 . 2]" 1
718 1 29 THR MG 1 33 ARG H 4.880 . 4.880 3.865 3.638 4.031 . 0 0 "[ . 1 . 2]" 1
719 1 29 THR HA 1 33 ARG H 4.330 . 4.330 3.948 3.822 4.027 . 0 0 "[ . 1 . 2]" 1
720 1 29 THR HA 1 32 TYR QD 4.600 . 4.600 4.553 4.252 4.655 0.055 18 0 "[ . 1 . 2]" 1
721 1 31 CYS HB2 1 32 TYR QB 4.880 . 4.880 4.273 4.188 4.415 . 0 0 "[ . 1 . 2]" 1
722 1 31 CYS H 1 32 TYR QB 4.590 . 4.590 4.358 4.313 4.431 . 0 0 "[ . 1 . 2]" 1
723 1 29 THR MG 1 32 TYR QB 4.130 . 4.130 3.612 3.333 3.825 . 0 0 "[ . 1 . 2]" 1
724 1 29 THR HA 1 32 TYR QB 3.620 . 3.620 2.914 2.768 3.073 . 0 0 "[ . 1 . 2]" 1
725 1 28 CYS H 1 32 TYR QB 4.730 . 4.730 4.275 4.115 4.466 . 0 0 "[ . 1 . 2]" 1
726 1 19 PHE QE 1 32 TYR QB 4.080 . 4.080 3.086 2.810 3.251 . 0 0 "[ . 1 . 2]" 1
727 1 19 PHE QD 1 32 TYR QB 5.300 . 5.300 5.124 4.879 5.275 . 0 0 "[ . 1 . 2]" 1
728 1 32 TYR HA 1 32 TYR QD 3.530 . 3.530 2.871 2.748 3.017 . 0 0 "[ . 1 . 2]" 1
729 1 31 CYS HA 1 32 TYR HA 4.990 . 4.990 4.771 4.728 4.815 . 0 0 "[ . 1 . 2]" 1
730 1 32 TYR H 1 32 TYR QD 4.430 . 4.430 4.175 4.152 4.200 . 0 0 "[ . 1 . 2]" 1
731 1 32 TYR H 1 32 TYR QB 3.420 . 3.420 2.228 2.194 2.253 . 0 0 "[ . 1 . 2]" 1
732 1 31 CYS HB3 1 32 TYR H 4.550 . 4.550 3.249 3.124 3.389 . 0 0 "[ . 1 . 2]" 1
733 1 31 CYS HB2 1 32 TYR H 4.410 . 4.410 2.877 2.794 2.977 . 0 0 "[ . 1 . 2]" 1
734 1 31 CYS H 1 32 TYR H 3.770 . 3.770 2.627 2.588 2.674 . 0 0 "[ . 1 . 2]" 1
735 1 30 GLU HB3 1 32 TYR H 5.700 . 5.700 5.681 5.598 5.718 0.018 20 0 "[ . 1 . 2]" 1
736 1 29 THR MG 1 32 TYR H 5.020 . 5.020 4.708 4.509 4.867 . 0 0 "[ . 1 . 2]" 1
737 1 29 THR HA 1 32 TYR H 4.170 . 4.170 3.554 3.373 3.702 . 0 0 "[ . 1 . 2]" 1
738 1 28 CYS H 1 31 CYS HB3 4.980 . 4.980 3.580 3.415 3.715 . 0 0 "[ . 1 . 2]" 1
739 1 10 CYS H 1 31 CYS HB3 5.900 . 5.900 5.507 5.287 5.699 . 0 0 "[ . 1 . 2]" 1
740 1 9 VAL QG 1 31 CYS HB3 3.470 . 3.470 3.031 2.803 3.173 . 0 0 "[ . 1 . 2]" 1
741 1 30 GLU HB3 1 31 CYS HB2 6.000 . 6.000 5.998 5.855 6.027 0.027 2 0 "[ . 1 . 2]" 1
742 1 30 GLU HB2 1 31 CYS HB2 5.020 . 5.020 4.887 4.720 5.044 0.024 11 0 "[ . 1 . 2]" 1
743 1 28 CYS QB 1 31 CYS HB2 5.530 . 5.530 4.004 3.911 4.078 . 0 0 "[ . 1 . 2]" 1
744 1 28 CYS H 1 31 CYS HB2 4.680 . 4.680 2.338 2.273 2.412 . 0 0 "[ . 1 . 2]" 1
745 1 27 SER HB3 1 31 CYS HB2 5.950 . 5.950 4.264 4.130 4.419 . 0 0 "[ . 1 . 2]" 1
746 1 27 SER HB2 1 31 CYS HB2 5.690 . 5.690 4.891 4.798 5.105 . 0 0 "[ . 1 . 2]" 1
747 1 9 VAL QG 1 31 CYS HB2 3.700 . 3.700 3.678 3.539 3.736 0.036 1 0 "[ . 1 . 2]" 1
748 1 30 GLU HB3 1 31 CYS HA 4.500 . 4.500 4.500 4.280 4.544 0.044 3 0 "[ . 1 . 2]" 1
749 1 31 CYS H 1 31 CYS HB3 3.750 . 3.750 3.613 3.584 3.646 . 0 0 "[ . 1 . 2]" 1
750 1 31 CYS H 1 31 CYS HB2 3.540 . 3.540 2.325 2.293 2.368 . 0 0 "[ . 1 . 2]" 1
751 1 30 GLU HG3 1 31 CYS H 5.080 . 5.080 4.617 4.366 4.746 . 0 0 "[ . 1 . 2]" 1
752 1 30 GLU HG2 1 31 CYS H 5.400 . 5.400 5.280 5.131 5.369 . 0 0 "[ . 1 . 2]" 1
753 1 30 GLU HB3 1 31 CYS H 3.900 . 3.900 3.890 3.760 3.935 0.035 10 0 "[ . 1 . 2]" 1
754 1 30 GLU HB2 1 31 CYS H 3.960 . 3.960 2.830 2.673 2.952 . 0 0 "[ . 1 . 2]" 1
755 1 30 GLU H 1 31 CYS H 3.590 . 3.590 2.636 2.607 2.670 . 0 0 "[ . 1 . 2]" 1
756 1 29 THR HA 1 31 CYS H 5.050 . 5.050 4.323 4.245 4.421 . 0 0 "[ . 1 . 2]" 1
757 1 9 VAL QG 1 31 CYS H 5.500 . 5.500 5.458 5.319 5.518 0.018 11 0 "[ . 1 . 2]" 1
758 1 29 THR MG 1 30 GLU HG3 4.800 . 4.800 4.484 4.298 4.825 0.025 17 0 "[ . 1 . 2]" 1
759 1 29 THR HB 1 30 GLU HG3 4.780 . 4.780 3.193 2.942 3.382 . 0 0 "[ . 1 . 2]" 1
760 1 29 THR MG 1 30 GLU HG2 5.800 . 5.800 5.668 5.073 5.866 0.066 6 0 "[ . 1 . 2]" 1
761 1 29 THR HB 1 30 GLU HG2 5.550 . 5.550 4.714 3.922 5.111 . 0 0 "[ . 1 . 2]" 1
762 1 30 GLU HB2 1 30 GLU HG2 3.120 . 3.120 2.927 2.811 3.113 . 0 0 "[ . 1 . 2]" 1
763 1 29 THR MG 1 30 GLU HB2 5.900 . 5.900 5.890 5.818 5.966 0.066 18 0 "[ . 1 . 2]" 1
764 1 30 GLU HA 1 30 GLU HG3 3.820 . 3.820 2.681 2.446 3.153 . 0 0 "[ . 1 . 2]" 1
765 1 30 GLU HA 1 30 GLU HG2 3.410 . 3.410 3.173 2.503 3.462 0.052 5 0 "[ . 1 . 2]" 1
766 1 29 THR MG 1 30 GLU HA 4.320 . 4.320 4.140 3.950 4.354 0.034 9 0 "[ . 1 . 2]" 1
767 1 30 GLU H 1 30 GLU HG3 3.890 . 3.890 2.494 2.166 2.678 . 0 0 "[ . 1 . 2]" 1
768 1 30 GLU H 1 30 GLU HG2 3.970 . 3.970 3.718 3.398 3.851 . 0 0 "[ . 1 . 2]" 1
769 1 30 GLU H 1 30 GLU HB3 3.850 . 3.850 3.601 3.551 3.646 . 0 0 "[ . 1 . 2]" 1
770 1 30 GLU H 1 30 GLU HB2 3.710 . 3.710 2.570 2.416 2.720 . 0 0 "[ . 1 . 2]" 1
771 1 29 THR MG 1 30 GLU H 4.280 . 4.280 3.974 3.926 4.069 . 0 0 "[ . 1 . 2]" 1
772 1 29 THR HB 1 30 GLU H 4.080 . 4.080 2.650 2.561 2.739 . 0 0 "[ . 1 . 2]" 1
773 1 28 CYS QB 1 30 GLU H 4.540 . 4.540 3.752 3.609 3.913 . 0 0 "[ . 1 . 2]" 1
774 1 28 CYS HA 1 29 THR MG 5.690 . 5.690 5.173 4.940 5.328 . 0 0 "[ . 1 . 2]" 1
775 1 29 THR HA 1 29 THR MG 3.160 . 3.160 2.161 2.098 2.206 . 0 0 "[ . 1 . 2]" 1
776 1 28 CYS QB 1 29 THR HA 5.530 . 5.530 5.037 4.985 5.096 . 0 0 "[ . 1 . 2]" 1
777 1 17 CYS QB 1 29 THR HA 4.990 . 4.990 4.196 3.950 4.423 . 0 0 "[ . 1 . 2]" 1
778 1 16 SER H 1 28 CYS QB 4.990 . 4.990 3.230 2.875 3.518 . 0 0 "[ . 1 . 2]" 1
779 1 13 SER QB 1 28 CYS QB 4.080 . 4.080 2.940 2.616 3.138 . 0 0 "[ . 1 . 2]" 1
780 1 7 CYS HB3 1 28 CYS QB 5.040 . 5.040 3.359 3.248 3.485 . 0 0 "[ . 1 . 2]" 1
781 1 7 CYS HB2 1 28 CYS QB 4.450 . 4.450 2.084 2.016 2.187 . 0 0 "[ . 1 . 2]" 1
782 1 17 CYS H 1 28 CYS HA 5.000 . 5.000 3.906 3.698 4.096 . 0 0 "[ . 1 . 2]" 1
783 1 16 SER H 1 28 CYS HA 3.990 . 3.990 2.046 1.719 2.368 . 0 0 "[ . 1 . 2]" 1
784 1 15 LYS HA 1 28 CYS HA 4.780 . 4.780 3.125 2.951 3.295 . 0 0 "[ . 1 . 2]" 1
785 1 7 CYS HB2 1 28 CYS HA 5.510 . 5.510 4.372 4.287 4.519 . 0 0 "[ . 1 . 2]" 1
786 1 27 SER HB3 1 28 CYS H 4.600 . 4.600 2.708 2.678 2.751 . 0 0 "[ . 1 . 2]" 1
787 1 27 SER HB2 1 28 CYS H 4.600 . 4.600 3.574 3.533 3.620 . 0 0 "[ . 1 . 2]" 1
788 1 9 VAL QG 1 28 CYS H 5.090 . 5.090 3.722 3.634 3.804 . 0 0 "[ . 1 . 2]" 1
789 1 9 VAL HB 1 28 CYS H 5.490 . 5.490 5.419 5.235 5.510 0.020 18 0 "[ . 1 . 2]" 1
790 1 7 CYS HB3 1 28 CYS H 5.610 . 5.610 5.130 4.985 5.262 . 0 0 "[ . 1 . 2]" 1
791 1 7 CYS HB2 1 28 CYS H 4.910 . 4.910 4.242 4.058 4.411 . 0 0 "[ . 1 . 2]" 1
792 1 7 CYS HA 1 28 CYS H 5.210 . 5.210 4.996 4.844 5.138 . 0 0 "[ . 1 . 2]" 1
793 1 26 CYS H 1 27 SER QB 4.450 . 4.450 3.965 3.873 4.068 . 0 0 "[ . 1 . 2]" 1
794 1 19 PHE QE 1 27 SER QB 3.780 . 3.780 2.414 2.291 2.512 . 0 0 "[ . 1 . 2]" 1
795 1 19 PHE QD 1 27 SER QB 4.950 . 4.950 4.036 3.889 4.224 . 0 0 "[ . 1 . 2]" 1
796 1 8 VAL MG2 1 27 SER QB 4.110 . 4.110 4.071 3.939 4.137 0.027 17 0 "[ . 1 . 2]" 1
797 1 8 VAL MG1 1 27 SER QB 5.530 . 5.530 5.484 5.352 5.542 0.012 20 0 "[ . 1 . 2]" 1
798 1 26 CYS H 1 27 SER HB3 5.400 . 5.400 4.688 4.618 4.763 . 0 0 "[ . 1 . 2]" 1
799 1 19 PHE QE 1 27 SER HB3 4.300 . 4.300 3.279 3.178 3.367 . 0 0 "[ . 1 . 2]" 1
800 1 26 CYS H 1 27 SER HB2 5.500 . 5.500 4.279 4.145 4.421 . 0 0 "[ . 1 . 2]" 1
801 1 19 PHE QE 1 27 SER HB2 4.300 . 4.300 2.486 2.344 2.610 . 0 0 "[ . 1 . 2]" 1
802 1 9 VAL H 1 27 SER HA 5.310 . 5.310 3.834 3.735 3.917 . 0 0 "[ . 1 . 2]" 1
803 1 8 VAL H 1 27 SER HA 5.070 . 5.070 3.383 3.270 3.488 . 0 0 "[ . 1 . 2]" 1
804 1 7 CYS HA 1 27 SER HA 4.500 . 4.500 3.347 3.167 3.468 . 0 0 "[ . 1 . 2]" 1
805 1 27 SER H 1 27 SER HB3 4.120 . 4.120 2.995 2.928 3.089 . 0 0 "[ . 1 . 2]" 1
806 1 27 SER H 1 27 SER HB2 4.120 . 4.120 2.890 2.793 2.977 . 0 0 "[ . 1 . 2]" 1
807 1 26 CYS H 1 27 SER H 3.530 . 3.530 1.869 1.823 1.917 . 0 0 "[ . 1 . 2]" 1
808 1 25 VAL QG 1 27 SER H 4.610 . 4.610 3.917 3.679 4.091 . 0 0 "[ . 1 . 2]" 1
809 1 19 PHE QD 1 27 SER H 5.690 . 5.690 4.709 4.588 4.855 . 0 0 "[ . 1 . 2]" 1
810 1 8 VAL MG2 1 27 SER H 5.130 . 5.130 4.765 4.649 4.872 . 0 0 "[ . 1 . 2]" 1
811 1 8 VAL MG2 1 26 CYS HB3 3.590 . 3.590 3.061 2.792 3.305 . 0 0 "[ . 1 . 2]" 1
812 1 8 VAL MG1 1 26 CYS HB3 3.480 . 3.480 2.566 2.430 2.697 . 0 0 "[ . 1 . 2]" 1
813 1 25 VAL QG 1 26 CYS HB2 5.700 . 5.700 5.628 5.510 5.722 0.022 6 0 "[ . 1 . 2]" 1
814 1 25 VAL H 1 26 CYS HB2 5.900 . 5.900 5.865 5.768 5.919 0.019 12 0 "[ . 1 . 2]" 1
815 1 8 VAL MG2 1 26 CYS HB2 3.400 . 3.400 2.027 1.958 2.108 . 0 0 "[ . 1 . 2]" 1
816 1 8 VAL MG1 1 26 CYS HB2 3.500 . 3.500 2.539 2.293 2.726 . 0 0 "[ . 1 . 2]" 1
817 1 8 VAL HB 1 26 CYS HB2 5.690 . 5.690 4.400 4.238 4.507 . 0 0 "[ . 1 . 2]" 1
818 1 8 VAL H 1 26 CYS HB2 5.690 . 5.690 3.423 3.264 3.540 . 0 0 "[ . 1 . 2]" 1
819 1 25 VAL QG 1 26 CYS HA 4.430 . 4.430 3.961 3.785 4.163 . 0 0 "[ . 1 . 2]" 1
820 1 15 LYS QG 1 26 CYS HA 3.760 . 3.760 3.440 3.176 3.631 . 0 0 "[ . 1 . 2]" 1
821 1 15 LYS QE 1 26 CYS HA 4.600 . 4.600 3.810 3.279 4.471 . 0 0 "[ . 1 . 2]" 1
822 1 15 LYS QD 1 26 CYS HA 3.750 . 3.750 2.616 2.147 2.842 . 0 0 "[ . 1 . 2]" 1
823 1 15 LYS HG3 1 26 CYS HA 4.700 . 4.700 4.714 4.606 4.745 0.045 9 0 "[ . 1 . 2]" 1
824 1 15 LYS HG2 1 26 CYS HA 4.550 . 4.550 3.539 3.237 3.779 . 0 0 "[ . 1 . 2]" 1
825 1 15 LYS HD3 1 26 CYS HA 4.270 . 4.270 2.638 2.157 2.871 . 0 0 "[ . 1 . 2]" 1
826 1 15 LYS HD2 1 26 CYS HA 4.500 . 4.500 4.335 3.917 4.552 0.052 18 0 "[ . 1 . 2]" 1
827 1 8 VAL MG2 1 26 CYS HA 4.620 . 4.620 3.811 3.643 3.957 . 0 0 "[ . 1 . 2]" 1
828 1 8 VAL MG1 1 26 CYS HA 3.730 . 3.730 2.736 2.530 2.925 . 0 0 "[ . 1 . 2]" 1
829 1 25 VAL QG 1 26 CYS H 3.850 . 3.850 3.102 3.008 3.202 . 0 0 "[ . 1 . 2]" 1
830 1 25 VAL MG2 1 26 CYS H 4.600 . 4.600 4.546 4.482 4.606 0.006 6 0 "[ . 1 . 2]" 1
831 1 25 VAL MG1 1 26 CYS H 4.600 . 4.600 3.158 3.057 3.267 . 0 0 "[ . 1 . 2]" 1
832 1 25 VAL HB 1 26 CYS H 4.920 . 4.920 4.252 4.198 4.330 . 0 0 "[ . 1 . 2]" 1
833 1 25 VAL HA 1 26 CYS H 3.540 . 3.540 2.318 2.288 2.354 . 0 0 "[ . 1 . 2]" 1
834 1 25 VAL H 1 26 CYS H 4.700 . 4.700 4.250 4.216 4.280 . 0 0 "[ . 1 . 2]" 1
835 1 19 PHE H 1 26 CYS H 5.070 . 5.070 4.137 4.004 4.256 . 0 0 "[ . 1 . 2]" 1
836 1 18 VAL HA 1 26 CYS H 4.940 . 4.940 3.611 3.483 3.752 . 0 0 "[ . 1 . 2]" 1
837 1 8 VAL MG1 1 26 CYS H 5.500 . 5.500 5.055 4.927 5.188 . 0 0 "[ . 1 . 2]" 1
838 1 24 HIS HA 1 25 VAL QG 4.270 . 4.270 3.307 3.155 3.460 . 0 0 "[ . 1 . 2]" 1
839 1 24 HIS H 1 25 VAL QG 4.870 . 4.870 4.520 4.411 4.619 . 0 0 "[ . 1 . 2]" 1
840 1 23 GLY HA3 1 25 VAL QG 5.190 . 5.190 4.735 4.527 4.866 . 0 0 "[ . 1 . 2]" 1
841 1 23 GLY HA2 1 25 VAL QG 4.870 . 4.870 4.269 4.088 4.415 . 0 0 "[ . 1 . 2]" 1
842 1 19 PHE HB2 1 25 VAL QG 5.600 . 5.600 5.349 5.218 5.497 . 0 0 "[ . 1 . 2]" 1
843 1 19 PHE H 1 25 VAL QG 4.200 . 4.200 3.754 3.613 3.891 . 0 0 "[ . 1 . 2]" 1
844 1 18 VAL QG 1 25 VAL QG 2.570 . 2.570 1.726 1.702 1.755 . 0 0 "[ . 1 . 2]" 1
845 1 18 VAL HB 1 25 VAL QG 4.410 . 4.410 3.755 3.647 3.869 . 0 0 "[ . 1 . 2]" 1
846 1 18 VAL HA 1 25 VAL QG 3.360 . 3.360 2.339 2.200 2.513 . 0 0 "[ . 1 . 2]" 1
847 1 18 VAL H 1 25 VAL QG 5.350 . 5.350 3.420 3.320 3.584 . 0 0 "[ . 1 . 2]" 1
848 1 15 LYS QE 1 25 VAL QG 3.620 . 3.620 3.160 2.620 3.638 0.018 12 0 "[ . 1 . 2]" 1
849 1 15 LYS QD 1 25 VAL QG 3.820 . 3.820 2.017 1.933 2.220 . 0 0 "[ . 1 . 2]" 1
850 1 15 LYS QB 1 25 VAL QG 4.460 . 4.460 2.698 2.458 3.188 . 0 0 "[ . 1 . 2]" 1
851 1 15 LYS HA 1 25 VAL QG 5.630 . 5.630 4.816 4.616 5.172 . 0 0 "[ . 1 . 2]" 1
852 1 24 HIS HA 1 25 VAL HB 5.380 . 5.380 5.010 4.931 5.114 . 0 0 "[ . 1 . 2]" 1
853 1 18 VAL QG 1 25 VAL HB 3.900 . 3.900 3.863 3.785 3.907 0.007 11 0 "[ . 1 . 2]" 1
854 1 15 LYS QD 1 25 VAL HB 4.710 . 4.710 2.464 2.298 2.896 . 0 0 "[ . 1 . 2]" 1
855 1 3 LEU QB 1 25 VAL HB 6.000 . 6.000 4.652 3.167 6.003 0.003 3 0 "[ . 1 . 2]" 1
856 1 25 VAL HA 1 25 VAL MG2 3.340 . 3.340 2.672 2.588 2.778 . 0 0 "[ . 1 . 2]" 1
857 1 25 VAL HA 1 25 VAL MG1 3.340 . 3.340 2.194 2.061 2.272 . 0 0 "[ . 1 . 2]" 1
858 1 19 PHE H 1 25 VAL HA 3.980 . 3.980 3.109 3.025 3.223 . 0 0 "[ . 1 . 2]" 1
859 1 18 VAL HA 1 25 VAL HA 3.820 . 3.820 2.004 1.954 2.054 . 0 0 "[ . 1 . 2]" 1
860 1 17 CYS H 1 25 VAL HA 5.690 . 5.690 4.529 4.366 4.667 . 0 0 "[ . 1 . 2]" 1
861 1 25 VAL H 1 25 VAL QG 3.320 . 3.320 2.389 2.237 2.586 . 0 0 "[ . 1 . 2]" 1
862 1 25 VAL H 1 25 VAL HB 3.890 . 3.890 2.896 2.825 2.990 . 0 0 "[ . 1 . 2]" 1
863 1 24 HIS HD2 1 25 VAL H 4.210 . 4.210 3.369 3.224 3.527 . 0 0 "[ . 1 . 2]" 1
864 1 24 HIS HB3 1 25 VAL H 3.780 . 3.780 3.137 3.049 3.248 . 0 0 "[ . 1 . 2]" 1
865 1 24 HIS HB2 1 25 VAL H 4.600 . 4.600 4.298 4.252 4.359 . 0 0 "[ . 1 . 2]" 1
866 1 24 HIS HA 1 25 VAL H 3.050 . 3.050 2.277 2.209 2.329 . 0 0 "[ . 1 . 2]" 1
867 1 18 VAL QG 1 25 VAL H 4.450 . 4.450 3.901 3.743 4.071 . 0 0 "[ . 1 . 2]" 1
868 1 19 PHE H 1 24 HIS HB3 5.360 . 5.360 4.503 4.340 4.616 . 0 0 "[ . 1 . 2]" 1
869 1 23 GLY HA2 1 24 HIS HB2 5.690 . 5.690 5.300 5.257 5.362 . 0 0 "[ . 1 . 2]" 1
870 1 23 GLY H 1 24 HIS HB2 4.570 . 4.570 4.591 4.572 4.609 0.039 3 0 "[ . 1 . 2]" 1
871 1 19 PHE QD 1 24 HIS HB2 4.700 . 4.700 4.193 4.022 4.398 . 0 0 "[ . 1 . 2]" 1
872 1 19 PHE HB2 1 24 HIS HB2 4.990 . 4.990 3.522 3.439 3.566 . 0 0 "[ . 1 . 2]" 1
873 1 18 VAL QG 1 24 HIS HB2 5.420 . 5.420 4.852 4.759 4.977 . 0 0 "[ . 1 . 2]" 1
874 1 24 HIS HA 1 24 HIS HD2 3.760 . 3.760 2.551 2.498 2.620 . 0 0 "[ . 1 . 2]" 1
875 1 19 PHE HB2 1 24 HIS HA 5.520 . 5.520 5.520 5.455 5.548 0.028 8 0 "[ . 1 . 2]" 1
876 1 18 VAL QG 1 24 HIS HA 4.340 . 4.340 3.978 3.851 4.196 . 0 0 "[ . 1 . 2]" 1
877 1 24 HIS H 1 24 HIS HB3 3.800 . 3.800 3.477 3.449 3.520 . 0 0 "[ . 1 . 2]" 1
878 1 24 HIS H 1 24 HIS HB2 3.260 . 3.260 2.212 2.189 2.235 . 0 0 "[ . 1 . 2]" 1
879 1 23 GLY H 1 24 HIS H 3.250 . 3.250 2.558 2.529 2.601 . 0 0 "[ . 1 . 2]" 1
880 1 22 CYS HA 1 24 HIS H 5.000 . 5.000 4.968 4.896 5.013 0.013 13 0 "[ . 1 . 2]" 1
881 1 19 PHE HB2 1 24 HIS H 4.340 . 4.340 3.582 3.491 3.652 . 0 0 "[ . 1 . 2]" 1
882 1 19 PHE H 1 24 HIS H 4.390 . 4.390 3.642 3.522 3.755 . 0 0 "[ . 1 . 2]" 1
883 1 18 VAL QG 1 24 HIS H 4.000 . 4.000 3.587 3.440 3.726 . 0 0 "[ . 1 . 2]" 1
884 1 22 CYS H 1 23 GLY HA3 5.210 . 5.210 4.632 4.571 4.681 . 0 0 "[ . 1 . 2]" 1
885 1 20 LEU HA 1 23 GLY HA2 4.900 . 4.900 3.588 3.406 3.745 . 0 0 "[ . 1 . 2]" 1
886 1 19 PHE H 1 23 GLY HA2 5.150 . 5.150 4.383 4.293 4.483 . 0 0 "[ . 1 . 2]" 1
887 1 18 VAL QG 1 23 GLY HA2 3.210 . 3.210 2.363 2.152 2.526 . 0 0 "[ . 1 . 2]" 1
888 1 22 CYS HB3 1 23 GLY H 4.690 . 4.690 4.633 4.590 4.682 . 0 0 "[ . 1 . 2]" 1
889 1 22 CYS HB2 1 23 GLY H 4.690 . 4.690 4.233 4.167 4.334 . 0 0 "[ . 1 . 2]" 1
890 1 22 CYS H 1 23 GLY H 3.770 . 3.770 2.142 2.070 2.188 . 0 0 "[ . 1 . 2]" 1
891 1 21 GLU HA 1 23 GLY H 4.860 . 4.860 4.638 4.521 4.694 . 0 0 "[ . 1 . 2]" 1
892 1 20 LEU HA 1 23 GLY H 4.530 . 4.530 3.002 2.878 3.124 . 0 0 "[ . 1 . 2]" 1
893 1 21 GLU H 1 22 CYS QB 5.530 . 5.530 4.590 4.532 4.644 . 0 0 "[ . 1 . 2]" 1
894 1 21 GLU H 1 22 CYS HA 4.840 . 4.840 4.141 4.082 4.187 . 0 0 "[ . 1 . 2]" 1
895 1 22 CYS H 1 22 CYS HB3 3.830 . 3.830 3.123 3.058 3.186 . 0 0 "[ . 1 . 2]" 1
896 1 22 CYS H 1 22 CYS HB2 3.830 . 3.830 3.530 3.515 3.559 . 0 0 "[ . 1 . 2]" 1
897 1 21 GLU HG2 1 22 CYS H 4.450 . 4.450 3.799 3.757 3.846 . 0 0 "[ . 1 . 2]" 1
898 1 21 GLU HB3 1 22 CYS H 4.350 . 4.350 3.664 3.620 3.710 . 0 0 "[ . 1 . 2]" 1
899 1 21 GLU HB2 1 22 CYS H 4.280 . 4.280 2.504 2.456 2.579 . 0 0 "[ . 1 . 2]" 1
900 1 21 GLU H 1 22 CYS H 3.430 . 3.430 1.998 1.941 2.049 . 0 0 "[ . 1 . 2]" 1
901 1 20 LEU HA 1 22 CYS H 5.490 . 5.490 4.013 3.912 4.087 . 0 0 "[ . 1 . 2]" 1
902 1 20 LEU MD2 1 21 GLU HG3 5.500 . 5.500 5.103 4.956 5.259 . 0 0 "[ . 1 . 2]" 1
903 1 20 LEU HA 1 21 GLU HG3 4.840 . 4.840 4.036 3.960 4.089 . 0 0 "[ . 1 . 2]" 1
904 1 20 LEU MD2 1 21 GLU HG2 5.190 . 5.190 5.163 5.053 5.201 0.011 5 0 "[ . 1 . 2]" 1
905 1 20 LEU HB3 1 21 GLU HG2 5.000 . 5.000 4.949 4.889 4.999 . 0 0 "[ . 1 . 2]" 1
906 1 20 LEU HB2 1 21 GLU HG2 5.900 . 5.900 5.734 5.695 5.778 . 0 0 "[ . 1 . 2]" 1
907 1 20 LEU HA 1 21 GLU HG2 4.900 . 4.900 4.738 4.695 4.766 . 0 0 "[ . 1 . 2]" 1
908 1 20 LEU MD2 1 21 GLU HB3 4.940 . 4.940 4.933 4.804 4.974 0.034 6 0 "[ . 1 . 2]" 1
909 1 20 LEU HB3 1 21 GLU HB3 5.600 . 5.600 5.639 5.624 5.655 0.055 19 0 "[ . 1 . 2]" 1
910 1 20 LEU HA 1 21 GLU HB3 5.500 . 5.500 5.524 5.510 5.533 0.033 9 0 "[ . 1 . 2]" 1
911 1 21 GLU HA 1 21 GLU HG3 4.020 . 4.020 3.651 3.629 3.672 . 0 0 "[ . 1 . 2]" 1
912 1 21 GLU HA 1 21 GLU HG2 4.020 . 4.020 3.418 3.386 3.437 . 0 0 "[ . 1 . 2]" 1
913 1 20 LEU MD2 1 21 GLU HA 3.540 . 3.540 3.152 3.064 3.236 . 0 0 "[ . 1 . 2]" 1
914 1 21 GLU H 1 21 GLU HG3 3.600 . 3.600 2.579 2.539 2.638 . 0 0 "[ . 1 . 2]" 1
915 1 21 GLU H 1 21 GLU HG2 3.900 . 3.900 3.595 3.562 3.645 . 0 0 "[ . 1 . 2]" 1
916 1 21 GLU H 1 21 GLU HB3 3.960 . 3.960 3.897 3.885 3.913 . 0 0 "[ . 1 . 2]" 1
917 1 20 LEU MD2 1 21 GLU H 4.020 . 4.020 3.178 2.977 3.519 . 0 0 "[ . 1 . 2]" 1
918 1 20 LEU HG 1 21 GLU H 5.240 . 5.240 4.131 4.000 4.284 . 0 0 "[ . 1 . 2]" 1
919 1 20 LEU HB3 1 21 GLU H 4.550 . 4.550 4.168 4.108 4.211 . 0 0 "[ . 1 . 2]" 1
920 1 20 LEU HB3 1 20 LEU MD1 3.330 . 3.330 2.515 2.380 2.647 . 0 0 "[ . 1 . 2]" 1
921 1 19 PHE HA 1 20 LEU HB3 5.460 . 5.460 5.036 4.944 5.124 . 0 0 "[ . 1 . 2]" 1
922 1 19 PHE HA 1 20 LEU HB2 4.680 . 4.680 4.261 4.198 4.303 . 0 0 "[ . 1 . 2]" 1
923 1 20 LEU HA 1 20 LEU MD2 3.250 . 3.250 2.708 2.461 2.942 . 0 0 "[ . 1 . 2]" 1
924 1 20 LEU HA 1 20 LEU MD1 4.130 . 4.130 3.762 3.714 3.825 . 0 0 "[ . 1 . 2]" 1
925 1 20 LEU HA 1 20 LEU HG 3.910 . 3.910 2.346 2.255 2.472 . 0 0 "[ . 1 . 2]" 1
926 1 20 LEU H 1 20 LEU HG 4.400 . 4.400 4.230 4.164 4.299 . 0 0 "[ . 1 . 2]" 1
927 1 20 LEU H 1 20 LEU HB3 3.770 . 3.770 2.898 2.807 2.965 . 0 0 "[ . 1 . 2]" 1
928 1 20 LEU H 1 20 LEU HB2 3.500 . 3.500 2.290 2.222 2.344 . 0 0 "[ . 1 . 2]" 1
929 1 19 PHE QD 1 20 LEU H 4.300 . 4.300 3.680 3.610 3.755 . 0 0 "[ . 1 . 2]" 1
930 1 19 PHE HB3 1 20 LEU H 4.370 . 4.370 3.506 3.463 3.555 . 0 0 "[ . 1 . 2]" 1
931 1 19 PHE HB2 1 20 LEU H 4.740 . 4.740 4.437 4.403 4.466 . 0 0 "[ . 1 . 2]" 1
932 1 19 PHE HA 1 20 LEU H 3.200 . 3.200 2.145 2.120 2.167 . 0 0 "[ . 1 . 2]" 1
933 1 18 VAL HA 1 20 LEU H 5.900 . 5.900 5.812 5.768 5.854 . 0 0 "[ . 1 . 2]" 1
934 1 18 VAL QG 1 19 PHE HB3 5.280 . 5.280 5.158 5.067 5.265 . 0 0 "[ . 1 . 2]" 1
935 1 18 VAL QG 1 19 PHE HB2 4.300 . 4.300 4.320 4.289 4.343 0.043 3 0 "[ . 1 . 2]" 1
936 1 18 VAL HA 1 19 PHE HB2 4.940 . 4.940 4.532 4.463 4.604 . 0 0 "[ . 1 . 2]" 1
937 1 19 PHE HA 1 19 PHE QE 4.560 . 4.560 4.253 4.233 4.274 . 0 0 "[ . 1 . 2]" 1
938 1 19 PHE HA 1 19 PHE QD 3.230 . 3.230 2.002 1.957 2.049 . 0 0 "[ . 1 . 2]" 1
939 1 18 VAL QG 1 19 PHE HA 4.900 . 4.900 4.114 3.967 4.273 . 0 0 "[ . 1 . 2]" 1
940 1 18 VAL HA 1 19 PHE HA 4.900 . 4.900 4.365 4.351 4.381 . 0 0 "[ . 1 . 2]" 1
941 1 19 PHE H 1 19 PHE QD 4.010 . 4.010 3.652 3.601 3.710 . 0 0 "[ . 1 . 2]" 1
942 1 19 PHE H 1 19 PHE HB3 3.750 . 3.750 3.667 3.645 3.697 . 0 0 "[ . 1 . 2]" 1
943 1 19 PHE H 1 19 PHE HB2 3.810 . 3.810 2.406 2.360 2.465 . 0 0 "[ . 1 . 2]" 1
944 1 18 VAL QG 1 19 PHE H 2.980 . 2.980 2.544 2.472 2.624 . 0 0 "[ . 1 . 2]" 1
945 1 18 VAL HB 1 19 PHE H 4.280 . 4.280 3.978 3.769 4.061 . 0 0 "[ . 1 . 2]" 1
946 1 18 VAL HA 1 19 PHE H 3.030 . 3.030 2.207 2.182 2.233 . 0 0 "[ . 1 . 2]" 1
947 1 18 VAL H 1 19 PHE H 4.830 . 4.830 4.383 4.358 4.425 . 0 0 "[ . 1 . 2]" 1
948 1 17 CYS QB 1 18 VAL QG 5.090 . 5.090 4.371 4.303 4.411 . 0 0 "[ . 1 . 2]" 1
949 1 17 CYS HA 1 18 VAL QG 3.890 . 3.890 3.440 3.323 3.584 . 0 0 "[ . 1 . 2]" 1
950 1 17 CYS H 1 18 VAL QG 4.520 . 4.520 4.106 3.954 4.213 . 0 0 "[ . 1 . 2]" 1
951 1 17 CYS QB 1 18 VAL HB 5.530 . 5.530 5.315 5.213 5.396 . 0 0 "[ . 1 . 2]" 1
952 1 17 CYS HA 1 18 VAL HB 5.230 . 5.230 4.740 4.617 4.967 . 0 0 "[ . 1 . 2]" 1
953 1 18 VAL HA 1 18 VAL QG 3.110 . 3.110 2.069 1.983 2.137 . 0 0 "[ . 1 . 2]" 1
954 1 17 CYS HA 1 18 VAL HA 4.620 . 4.620 4.348 4.326 4.374 . 0 0 "[ . 1 . 2]" 1
955 1 18 VAL H 1 18 VAL QG 3.510 . 3.510 2.201 2.106 2.339 . 0 0 "[ . 1 . 2]" 1
956 1 18 VAL H 1 18 VAL HB 4.040 . 4.040 2.641 2.548 2.845 . 0 0 "[ . 1 . 2]" 1
957 1 17 CYS QB 1 18 VAL H 3.710 . 3.710 3.257 3.129 3.306 . 0 0 "[ . 1 . 2]" 1
958 1 17 CYS HB3 1 18 VAL H 4.380 . 4.380 3.364 3.221 3.428 . 0 0 "[ . 1 . 2]" 1
959 1 17 CYS HB2 1 18 VAL H 4.380 . 4.380 4.351 4.249 4.399 0.019 1 0 "[ . 1 . 2]" 1
960 1 17 CYS HA 1 18 VAL H 3.460 . 3.460 2.110 2.046 2.171 . 0 0 "[ . 1 . 2]" 1
961 1 16 SER QB 1 17 CYS H 4.430 . 4.430 4.038 3.885 4.121 . 0 0 "[ . 1 . 2]" 1
962 1 16 SER HB3 1 17 CYS H 5.080 . 5.080 4.736 4.592 4.843 . 0 0 "[ . 1 . 2]" 1
963 1 16 SER HB2 1 17 CYS H 5.080 . 5.080 4.378 4.192 4.493 . 0 0 "[ . 1 . 2]" 1
964 1 16 SER H 1 17 CYS H 3.820 . 3.820 2.420 2.199 2.573 . 0 0 "[ . 1 . 2]" 1
965 1 15 LYS HA 1 17 CYS H 4.500 . 4.500 3.769 3.667 3.857 . 0 0 "[ . 1 . 2]" 1
966 1 15 LYS QD 1 16 SER HA 4.700 . 4.700 4.603 4.033 4.815 0.115 3 0 "[ . 1 . 2]" 1
967 1 15 LYS HA 1 16 SER HA 4.760 . 4.760 4.380 4.343 4.425 . 0 0 "[ . 1 . 2]" 1
968 1 4 LYS QG 1 16 SER HA 5.400 . 5.400 4.933 4.142 5.395 . 0 0 "[ . 1 . 2]" 1
969 1 4 LYS HA 1 16 SER HA 4.900 . 4.900 4.685 4.430 4.926 0.026 6 0 "[ . 1 . 2]" 1
970 1 15 LYS QE 1 15 LYS QG 3.310 . 3.310 2.463 2.358 2.536 . 0 0 "[ . 1 . 2]" 1
971 1 14 PHE QB 1 15 LYS QG 5.360 . 5.360 3.358 3.126 3.604 . 0 0 "[ . 1 . 2]" 1
972 1 7 CYS HA 1 15 LYS QG 4.440 . 4.440 3.258 2.804 3.612 . 0 0 "[ . 1 . 2]" 1
973 1 7 CYS HA 1 15 LYS QB 4.200 . 4.200 2.138 1.979 2.285 . 0 0 "[ . 1 . 2]" 1
974 1 7 CYS HA 1 15 LYS HG3 5.270 . 5.270 4.412 4.169 4.580 . 0 0 "[ . 1 . 2]" 1
975 1 7 CYS HA 1 15 LYS HG2 5.270 . 5.270 3.360 2.850 3.782 . 0 0 "[ . 1 . 2]" 1
976 1 7 CYS HA 1 15 LYS HB3 4.760 . 4.760 2.148 1.986 2.299 . 0 0 "[ . 1 . 2]" 1
977 1 7 CYS H 1 15 LYS HB3 5.690 . 5.690 4.138 4.020 4.230 . 0 0 "[ . 1 . 2]" 1
978 1 7 CYS HA 1 15 LYS HB2 4.760 . 4.760 3.884 3.757 4.021 . 0 0 "[ . 1 . 2]" 1
979 1 7 CYS H 1 15 LYS HB2 5.690 . 5.690 5.612 5.458 5.698 0.008 20 0 "[ . 1 . 2]" 1
980 1 15 LYS HA 1 15 LYS QG 3.650 . 3.650 3.336 3.296 3.396 . 0 0 "[ . 1 . 2]" 1
981 1 7 CYS HA 1 15 LYS HA 4.600 . 4.600 3.145 3.012 3.388 . 0 0 "[ . 1 . 2]" 1
982 1 15 LYS H 1 15 LYS QG 3.700 . 3.700 1.869 1.827 1.963 . 0 0 "[ . 1 . 2]" 1
983 1 15 LYS H 1 15 LYS QB 3.670 . 3.670 2.883 2.806 2.957 . 0 0 "[ . 1 . 2]" 1
984 1 15 LYS H 1 15 LYS HG3 4.140 . 4.140 1.931 1.873 2.011 . 0 0 "[ . 1 . 2]" 1
985 1 15 LYS H 1 15 LYS HG2 4.140 . 4.140 2.522 2.313 2.833 . 0 0 "[ . 1 . 2]" 1
986 1 14 PHE QD 1 15 LYS H 4.790 . 4.790 3.808 3.400 4.377 . 0 0 "[ . 1 . 2]" 1
987 1 14 PHE QB 1 15 LYS H 3.670 . 3.670 2.489 2.302 2.652 . 0 0 "[ . 1 . 2]" 1
988 1 14 PHE HB3 1 15 LYS H 4.290 . 4.290 2.847 2.463 3.961 . 0 0 "[ . 1 . 2]" 1
989 1 14 PHE HB2 1 15 LYS H 4.290 . 4.290 3.404 2.326 3.984 . 0 0 "[ . 1 . 2]" 1
990 1 14 PHE HA 1 15 LYS H 3.360 . 3.360 2.430 2.377 2.499 . 0 0 "[ . 1 . 2]" 1
991 1 7 CYS HA 1 15 LYS H 5.170 . 5.170 3.612 3.513 3.759 . 0 0 "[ . 1 . 2]" 1
992 1 7 CYS H 1 15 LYS H 4.490 . 4.490 3.159 2.993 3.321 . 0 0 "[ . 1 . 2]" 1
993 1 6 ALA HA 1 15 LYS H 4.210 . 4.210 3.627 3.424 3.821 . 0 0 "[ . 1 . 2]" 1
994 1 5 SER QB 1 15 LYS H 4.990 . 4.990 4.478 4.180 4.697 . 0 0 "[ . 1 . 2]" 1
995 1 13 SER QB 1 14 PHE QB 5.240 . 5.240 4.319 4.084 4.782 . 0 0 "[ . 1 . 2]" 1
996 1 13 SER HA 1 14 PHE QB 4.800 . 4.800 4.639 4.430 4.843 0.043 14 0 "[ . 1 . 2]" 1
997 1 6 ALA HA 1 14 PHE QB 4.660 . 4.660 4.148 3.476 4.662 0.002 12 0 "[ . 1 . 2]" 1
998 1 4 LYS QG 1 14 PHE QB 5.080 . 5.080 4.564 2.352 5.120 0.040 12 0 "[ . 1 . 2]" 1
999 1 4 LYS QD 1 14 PHE QB 4.600 . 4.600 3.491 2.666 4.499 . 0 0 "[ . 1 . 2]" 1
1000 1 4 LYS QB 1 14 PHE QB 5.360 . 5.360 3.334 2.242 4.286 . 0 0 "[ . 1 . 2]" 1
1001 1 7 CYS H 1 14 PHE HA 4.260 . 4.260 2.396 2.158 2.663 . 0 0 "[ . 1 . 2]" 1
1002 1 6 ALA HA 1 14 PHE HA 3.640 . 3.640 2.369 2.136 2.545 . 0 0 "[ . 1 . 2]" 1
1003 1 14 PHE H 1 14 PHE QD 4.640 . 4.640 2.698 1.748 3.434 . 0 0 "[ . 1 . 2]" 1
1004 1 14 PHE H 1 14 PHE QB 3.520 . 3.520 2.540 2.204 2.822 . 0 0 "[ . 1 . 2]" 1
1005 1 14 PHE H 1 14 PHE HB3 4.170 . 4.170 3.430 2.598 3.698 . 0 0 "[ . 1 . 2]" 1
1006 1 14 PHE H 1 14 PHE HB2 4.170 . 4.170 2.802 2.227 3.672 . 0 0 "[ . 1 . 2]" 1
1007 1 13 SER QB 1 14 PHE H 3.910 . 3.910 2.589 2.445 2.688 . 0 0 "[ . 1 . 2]" 1
1008 1 13 SER HA 1 14 PHE H 3.560 . 3.560 2.376 2.325 2.431 . 0 0 "[ . 1 . 2]" 1
1009 1 7 CYS HB3 1 13 SER QB 4.700 . 4.700 4.386 4.249 4.538 . 0 0 "[ . 1 . 2]" 1
1010 1 12 SER QB 1 13 SER H 3.640 . 3.640 2.890 2.786 2.972 . 0 0 "[ . 1 . 2]" 1
1011 1 12 SER HB3 1 13 SER H 4.210 . 4.210 4.038 3.927 4.106 . 0 0 "[ . 1 . 2]" 1
1012 1 12 SER HB2 1 13 SER H 4.210 . 4.210 2.961 2.840 3.055 . 0 0 "[ . 1 . 2]" 1
1013 1 12 SER H 1 13 SER H 3.740 . 3.740 2.046 1.889 2.186 . 0 0 "[ . 1 . 2]" 1
1014 1 11 LEU MD1 1 13 SER H 6.000 . 6.000 5.852 5.787 5.940 . 0 0 "[ . 1 . 2]" 1
1015 1 11 LEU HA 1 13 SER H 4.800 . 4.800 4.526 4.457 4.603 . 0 0 "[ . 1 . 2]" 1
1016 1 7 CYS HB3 1 13 SER H 4.910 . 4.910 3.255 3.136 3.366 . 0 0 "[ . 1 . 2]" 1
1017 1 6 ALA MB 1 13 SER H 5.690 . 5.690 5.095 4.777 5.379 . 0 0 "[ . 1 . 2]" 1
1018 1 10 CYS HB3 1 12 SER HB2 5.900 . 5.900 5.847 5.630 5.933 0.033 18 0 "[ . 1 . 2]" 1
1019 1 6 ALA MB 1 12 SER HA 5.280 . 5.280 4.885 4.508 5.266 . 0 0 "[ . 1 . 2]" 1
1020 1 12 SER H 1 12 SER QB 3.550 . 3.550 3.077 2.976 3.184 . 0 0 "[ . 1 . 2]" 1
1021 1 12 SER H 1 12 SER HB3 4.220 . 4.220 3.509 3.338 3.678 . 0 0 "[ . 1 . 2]" 1
1022 1 12 SER H 1 12 SER HB2 4.220 . 4.220 3.407 3.219 3.541 . 0 0 "[ . 1 . 2]" 1
1023 1 11 LEU MD2 1 12 SER H 5.160 . 5.160 4.581 4.496 4.780 . 0 0 "[ . 1 . 2]" 1
1024 1 11 LEU MD1 1 12 SER H 5.000 . 5.000 4.618 4.478 4.746 . 0 0 "[ . 1 . 2]" 1
1025 1 11 LEU HB3 1 12 SER H 4.830 . 4.830 4.461 4.379 4.545 . 0 0 "[ . 1 . 2]" 1
1026 1 11 LEU HB2 1 12 SER H 4.970 . 4.970 4.073 3.858 4.294 . 0 0 "[ . 1 . 2]" 1
1027 1 11 LEU H 1 12 SER H 3.990 . 3.990 2.305 2.227 2.414 . 0 0 "[ . 1 . 2]" 1
1028 1 10 CYS HB3 1 12 SER H 4.610 . 4.610 4.334 4.194 4.533 . 0 0 "[ . 1 . 2]" 1
1029 1 10 CYS HB2 1 12 SER H 4.970 . 4.970 3.167 2.926 3.466 . 0 0 "[ . 1 . 2]" 1
1030 1 7 CYS HB3 1 12 SER H 4.730 . 4.730 3.562 3.333 3.771 . 0 0 "[ . 1 . 2]" 1
1031 1 7 CYS HB2 1 12 SER H 5.360 . 5.360 5.117 4.812 5.372 0.012 4 0 "[ . 1 . 2]" 1
1032 1 6 ALA MB 1 12 SER H 5.170 . 5.170 4.426 3.892 4.774 . 0 0 "[ . 1 . 2]" 1
1033 1 10 CYS HB3 1 11 LEU MD2 5.180 . 5.180 5.105 5.023 5.168 . 0 0 "[ . 1 . 2]" 1
1034 1 10 CYS HA 1 11 LEU MD2 3.680 . 3.680 3.327 3.274 3.379 . 0 0 "[ . 1 . 2]" 1
1035 1 10 CYS H 1 11 LEU MD2 4.100 . 4.100 3.452 3.258 3.635 . 0 0 "[ . 1 . 2]" 1
1036 1 9 VAL H 1 11 LEU MD2 4.300 . 4.300 3.980 3.739 4.205 . 0 0 "[ . 1 . 2]" 1
1037 1 8 VAL HA 1 11 LEU MD2 3.840 . 3.840 3.419 3.159 3.691 . 0 0 "[ . 1 . 2]" 1
1038 1 10 CYS HA 1 11 LEU MD1 5.200 . 5.200 5.174 4.989 5.229 0.029 6 0 "[ . 1 . 2]" 1
1039 1 10 CYS H 1 11 LEU MD1 5.100 . 5.100 4.173 3.988 4.287 . 0 0 "[ . 1 . 2]" 1
1040 1 9 VAL HA 1 11 LEU MD1 4.800 . 4.800 4.735 4.499 4.830 0.030 6 0 "[ . 1 . 2]" 1
1041 1 8 VAL HA 1 11 LEU MD1 3.150 . 3.150 2.196 2.043 2.301 . 0 0 "[ . 1 . 2]" 1
1042 1 8 VAL HA 1 11 LEU HG 5.100 . 5.100 4.961 4.712 5.105 0.005 14 0 "[ . 1 . 2]" 1
1043 1 11 LEU HB3 1 11 LEU MD2 3.290 . 3.290 3.246 3.226 3.259 . 0 0 "[ . 1 . 2]" 1
1044 1 11 LEU HB3 1 11 LEU MD1 2.900 . 2.900 2.536 2.496 2.602 . 0 0 "[ . 1 . 2]" 1
1045 1 6 ALA MB 1 11 LEU HB3 4.830 . 4.830 3.557 3.344 3.769 . 0 0 "[ . 1 . 2]" 1
1046 1 11 LEU HB2 1 11 LEU MD2 2.900 . 2.900 2.270 2.214 2.313 . 0 0 "[ . 1 . 2]" 1
1047 1 11 LEU HB2 1 11 LEU MD1 3.410 . 3.410 3.308 3.294 3.315 . 0 0 "[ . 1 . 2]" 1
1048 1 11 LEU HA 1 11 LEU MD2 3.660 . 3.660 3.319 3.253 3.488 . 0 0 "[ . 1 . 2]" 1
1049 1 11 LEU HA 1 11 LEU MD1 2.980 . 2.980 2.157 2.102 2.206 . 0 0 "[ . 1 . 2]" 1
1050 1 11 LEU HA 1 11 LEU HG 3.830 . 3.830 3.727 3.700 3.760 . 0 0 "[ . 1 . 2]" 1
1051 1 10 CYS H 1 11 LEU HA 4.700 . 4.700 4.382 4.288 4.473 . 0 0 "[ . 1 . 2]" 1
1052 1 9 VAL H 1 11 LEU HA 5.500 . 5.500 5.437 5.284 5.527 0.027 2 0 "[ . 1 . 2]" 1
1053 1 6 ALA MB 1 11 LEU HA 3.570 . 3.570 2.269 2.072 2.401 . 0 0 "[ . 1 . 2]" 1
1054 1 11 LEU H 1 11 LEU MD2 3.360 . 3.360 3.192 3.010 3.364 0.004 5 0 "[ . 1 . 2]" 1
1055 1 11 LEU H 1 11 LEU MD1 3.470 . 3.470 3.183 3.032 3.274 . 0 0 "[ . 1 . 2]" 1
1056 1 11 LEU H 1 11 LEU HG 5.100 . 5.100 5.014 4.966 5.057 . 0 0 "[ . 1 . 2]" 1
1057 1 11 LEU H 1 11 LEU HB3 4.320 . 4.320 4.258 4.242 4.271 . 0 0 "[ . 1 . 2]" 1
1058 1 11 LEU H 1 11 LEU HB2 3.930 . 3.930 3.842 3.818 3.876 . 0 0 "[ . 1 . 2]" 1
1059 1 10 CYS HB3 1 11 LEU H 4.500 . 4.500 4.057 4.017 4.126 . 0 0 "[ . 1 . 2]" 1
1060 1 10 CYS H 1 11 LEU H 3.710 . 3.710 2.345 2.262 2.461 . 0 0 "[ . 1 . 2]" 1
1061 1 9 VAL H 1 11 LEU H 4.490 . 4.490 4.128 4.014 4.206 . 0 0 "[ . 1 . 2]" 1
1062 1 8 VAL HA 1 11 LEU H 4.800 . 4.800 4.642 4.438 4.789 . 0 0 "[ . 1 . 2]" 1
1063 1 7 CYS HB3 1 11 LEU H 4.210 . 4.210 2.598 2.439 2.818 . 0 0 "[ . 1 . 2]" 1
1064 1 7 CYS HB2 1 11 LEU H 4.800 . 4.800 4.354 4.202 4.564 . 0 0 "[ . 1 . 2]" 1
1065 1 9 VAL QG 1 10 CYS HB3 4.500 . 4.500 4.337 4.184 4.408 . 0 0 "[ . 1 . 2]" 1
1066 1 9 VAL HA 1 10 CYS HB3 5.900 . 5.900 5.726 5.660 5.796 . 0 0 "[ . 1 . 2]" 1
1067 1 9 VAL H 1 10 CYS HB3 5.690 . 5.690 5.430 5.357 5.514 . 0 0 "[ . 1 . 2]" 1
1068 1 9 VAL QG 1 10 CYS HA 4.290 . 4.290 4.092 3.910 4.162 . 0 0 "[ . 1 . 2]" 1
1069 1 9 VAL H 1 10 CYS HA 5.220 . 5.220 5.132 5.094 5.170 . 0 0 "[ . 1 . 2]" 1
1070 1 10 CYS H 1 10 CYS HB3 4.110 . 4.110 3.054 2.983 3.149 . 0 0 "[ . 1 . 2]" 1
1071 1 9 VAL QG 1 10 CYS H 3.700 . 3.700 3.140 3.038 3.201 . 0 0 "[ . 1 . 2]" 1
1072 1 9 VAL HB 1 10 CYS H 3.800 . 3.800 2.812 2.627 2.917 . 0 0 "[ . 1 . 2]" 1
1073 1 9 VAL H 1 10 CYS H 3.670 . 3.670 2.581 2.551 2.606 . 0 0 "[ . 1 . 2]" 1
1074 1 7 CYS HB3 1 10 CYS H 4.880 . 4.880 3.080 2.936 3.263 . 0 0 "[ . 1 . 2]" 1
1075 1 9 VAL HA 1 9 VAL QG 2.590 . 2.590 2.074 2.043 2.112 . 0 0 "[ . 1 . 2]" 1
1076 1 8 VAL MG2 1 9 VAL HA 3.710 . 3.710 3.263 3.124 3.368 . 0 0 "[ . 1 . 2]" 1
1077 1 9 VAL H 1 9 VAL QG 3.130 . 3.130 1.867 1.792 1.946 . 0 0 "[ . 1 . 2]" 1
1078 1 9 VAL H 1 9 VAL HB 3.590 . 3.590 3.121 2.999 3.215 . 0 0 "[ . 1 . 2]" 1
1079 1 8 VAL MG1 1 9 VAL H 4.310 . 4.310 3.985 3.888 4.088 . 0 0 "[ . 1 . 2]" 1
1080 1 8 VAL HB 1 9 VAL H 4.620 . 4.620 4.131 4.083 4.175 . 0 0 "[ . 1 . 2]" 1
1081 1 8 VAL H 1 9 VAL H 4.000 . 4.000 2.504 2.427 2.542 . 0 0 "[ . 1 . 2]" 1
1082 1 7 CYS HB3 1 9 VAL H 5.130 . 5.130 4.099 3.999 4.201 . 0 0 "[ . 1 . 2]" 1
1083 1 7 CYS HA 1 9 VAL H 4.180 . 4.180 3.871 3.756 3.945 . 0 0 "[ . 1 . 2]" 1
1084 1 7 CYS HA 1 8 VAL MG2 4.540 . 4.540 4.073 3.967 4.152 . 0 0 "[ . 1 . 2]" 1
1085 1 7 CYS HA 1 8 VAL MG1 3.760 . 3.760 3.590 3.425 3.718 . 0 0 "[ . 1 . 2]" 1
1086 1 8 VAL HA 1 8 VAL MG2 3.360 . 3.360 3.251 3.235 3.264 . 0 0 "[ . 1 . 2]" 1
1087 1 8 VAL HA 1 8 VAL MG1 2.880 . 2.880 2.344 2.263 2.397 . 0 0 "[ . 1 . 2]" 1
1088 1 8 VAL HA 1 8 VAL HB 2.880 . 2.880 2.438 2.413 2.468 . 0 0 "[ . 1 . 2]" 1
1089 1 8 VAL H 1 8 VAL MG2 3.520 . 3.520 2.133 2.042 2.206 . 0 0 "[ . 1 . 2]" 1
1090 1 8 VAL H 1 8 VAL MG1 3.340 . 3.340 2.198 2.058 2.395 . 0 0 "[ . 1 . 2]" 1
1091 1 8 VAL H 1 8 VAL HB 4.210 . 4.210 3.696 3.657 3.741 . 0 0 "[ . 1 . 2]" 1
1092 1 7 CYS HA 1 8 VAL H 3.450 . 3.450 2.258 2.232 2.287 . 0 0 "[ . 1 . 2]" 1
1093 1 6 ALA MB 1 7 CYS HB3 5.030 . 5.030 4.412 4.309 4.547 . 0 0 "[ . 1 . 2]" 1
1094 1 6 ALA HA 1 7 CYS HB3 5.010 . 5.010 4.569 4.475 4.722 . 0 0 "[ . 1 . 2]" 1
1095 1 6 ALA HA 1 7 CYS HA 4.700 . 4.700 4.454 4.396 4.479 . 0 0 "[ . 1 . 2]" 1
1096 1 7 CYS H 1 7 CYS HB3 3.880 . 3.880 2.497 2.413 2.584 . 0 0 "[ . 1 . 2]" 1
1097 1 7 CYS H 1 7 CYS HB2 4.040 . 4.040 2.475 2.414 2.531 . 0 0 "[ . 1 . 2]" 1
1098 1 6 ALA MB 1 7 CYS H 3.780 . 3.780 3.155 3.087 3.252 . 0 0 "[ . 1 . 2]" 1
1099 1 6 ALA HA 1 7 CYS H 3.530 . 3.530 2.229 2.181 2.284 . 0 0 "[ . 1 . 2]" 1
1100 1 5 SER QB 1 6 ALA MB 4.300 . 4.300 3.693 3.568 3.851 . 0 0 "[ . 1 . 2]" 1
1101 1 5 SER HA 1 6 ALA MB 4.540 . 4.540 4.439 4.358 4.532 . 0 0 "[ . 1 . 2]" 1
1102 1 5 SER QB 1 6 ALA HA 4.810 . 4.810 4.284 4.222 4.369 . 0 0 "[ . 1 . 2]" 1
1103 1 6 ALA H 1 6 ALA MB 3.470 . 3.470 2.294 2.188 2.347 . 0 0 "[ . 1 . 2]" 1
1104 1 5 SER QB 1 6 ALA H 4.080 . 4.080 2.154 1.965 2.360 . 0 0 "[ . 1 . 2]" 1
1105 1 3 LEU QD 1 4 LYS QE 5.600 . 5.600 4.213 2.958 5.583 . 0 0 "[ . 1 . 2]" 1
1106 1 4 LYS QB 1 4 LYS QE 4.000 . 4.000 3.628 2.389 3.931 . 0 0 "[ . 1 . 2]" 1
1107 1 3 LEU QD 1 4 LYS QB 5.400 . 5.400 4.184 2.780 5.409 0.009 13 0 "[ . 1 . 2]" 1
1108 1 2 SER QB 1 4 LYS QB 5.900 . 5.900 5.591 4.967 5.936 0.036 5 0 "[ . 1 . 2]" 1
1109 1 4 LYS HB3 1 4 LYS QE 4.570 . 4.570 3.887 2.411 4.304 . 0 0 "[ . 1 . 2]" 1
1110 1 4 LYS HB2 1 4 LYS QE 4.570 . 4.570 4.462 3.643 4.657 0.087 1 0 "[ . 1 . 2]" 1
1111 1 4 LYS HA 1 4 LYS QG 3.430 . 3.430 2.873 2.223 3.187 . 0 0 "[ . 1 . 2]" 1
1112 1 4 LYS HA 1 4 LYS QE 5.000 . 5.000 3.759 2.547 4.545 . 0 0 "[ . 1 . 2]" 1
1113 1 4 LYS HA 1 4 LYS QD 4.300 . 4.300 2.595 2.106 3.860 . 0 0 "[ . 1 . 2]" 1
1114 1 4 LYS HA 1 4 LYS HG3 4.110 . 4.110 3.750 2.246 4.048 . 0 0 "[ . 1 . 2]" 1
1115 1 4 LYS HA 1 4 LYS HG2 4.110 . 4.110 3.055 2.490 3.574 . 0 0 "[ . 1 . 2]" 1
1116 1 4 LYS H 1 4 LYS QE 5.800 . 5.800 4.313 2.427 5.839 0.039 8 0 "[ . 1 . 2]" 1
1117 1 3 LEU HG 1 4 LYS H 4.900 . 4.900 4.051 2.203 4.939 0.039 9 0 "[ . 1 . 2]" 1
1118 1 2 SER QB 1 3 LEU QD 5.150 . 5.150 4.555 3.125 5.062 . 0 0 "[ . 1 . 2]" 1
1119 1 3 LEU QB 1 3 LEU MD2 2.930 . 2.930 2.217 2.118 2.469 . 0 0 "[ . 1 . 2]" 1
1120 1 3 LEU QB 1 3 LEU MD1 2.930 . 2.930 2.183 2.048 2.375 . 0 0 "[ . 1 . 2]" 1
1121 1 2 SER QB 1 3 LEU QB 5.200 . 5.200 4.267 3.071 5.215 0.015 20 0 "[ . 1 . 2]" 1
1122 1 2 SER HA 1 3 LEU QB 4.600 . 4.600 4.248 3.850 4.615 0.015 12 0 "[ . 1 . 2]" 1
1123 1 2 SER QB 1 3 LEU HG 5.900 . 5.900 5.208 3.611 5.924 0.024 18 0 "[ . 1 . 2]" 1
1124 1 3 LEU HA 1 3 LEU QD 3.530 . 3.530 2.649 2.073 3.534 0.004 15 0 "[ . 1 . 2]" 1
1125 1 3 LEU HA 1 3 LEU MD2 4.280 . 4.280 2.997 2.193 4.031 . 0 0 "[ . 1 . 2]" 1
1126 1 3 LEU HA 1 3 LEU MD1 4.280 . 4.280 3.491 2.412 4.161 . 0 0 "[ . 1 . 2]" 1
1127 1 3 LEU HA 1 3 LEU HG 3.910 . 3.910 2.644 2.099 3.668 . 0 0 "[ . 1 . 2]" 1
1128 1 2 SER QB 1 3 LEU H 4.710 . 4.710 2.563 1.673 3.992 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 114
_Distance_constraint_stats_list.Viol_total 173.505
_Distance_constraint_stats_list.Viol_max 0.246
_Distance_constraint_stats_list.Viol_rms 0.0364
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0761
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 1.542 0.110 20 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PHE 1.012 0.079 1 0 "[ . 1 . 2]"
1 20 LEU 1.271 0.071 8 0 "[ . 1 . 2]"
1 23 GLY 1.012 0.079 1 0 "[ . 1 . 2]"
1 24 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 1.542 0.110 20 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 0.146 0.058 11 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.036 0.016 15 0 "[ . 1 . 2]"
1 32 TYR 4.593 0.246 16 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 4.482 0.246 16 0 "[ . 1 . 2]"
1 39 LYS 0.222 0.044 14 0 "[ . 1 . 2]"
1 41 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.222 0.044 14 0 "[ . 1 . 2]"
1 49 THR 1.032 0.071 8 0 "[ . 1 . 2]"
1 50 ARG 0.240 0.040 11 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 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 16 SER O 1 54 LEU N 3.300 . 3.300 2.778 2.697 2.862 . 0 0 "[ . 1 . 2]" 2
2 1 16 SER O 1 54 LEU H 2.300 . 2.300 1.845 1.728 1.940 . 0 0 "[ . 1 . 2]" 2
3 1 18 VAL N 1 52 ILE O 3.300 . 3.300 2.818 2.770 2.891 . 0 0 "[ . 1 . 2]" 2
4 1 18 VAL H 1 52 ILE O 2.300 . 2.300 1.831 1.779 1.907 . 0 0 "[ . 1 . 2]" 2
5 1 18 VAL O 1 52 ILE N 3.300 . 3.300 2.768 2.738 2.809 . 0 0 "[ . 1 . 2]" 2
6 1 18 VAL O 1 52 ILE H 2.300 . 2.300 1.786 1.749 1.835 . 0 0 "[ . 1 . 2]" 2
7 1 20 LEU N 1 50 ARG O 3.300 . 3.300 2.700 2.662 2.734 . 0 0 "[ . 1 . 2]" 2
8 1 20 LEU H 1 50 ARG O 2.300 . 2.300 1.791 1.741 1.839 . 0 0 "[ . 1 . 2]" 2
9 1 20 LEU O 1 50 ARG N 3.300 . 3.300 3.051 2.961 3.126 . 0 0 "[ . 1 . 2]" 2
10 1 20 LEU O 1 50 ARG H 2.300 . 2.300 2.296 2.187 2.340 0.040 11 0 "[ . 1 . 2]" 2
11 1 20 LEU O 1 49 THR N 3.300 . 3.300 3.176 3.146 3.198 . 0 0 "[ . 1 . 2]" 2
12 1 20 LEU O 1 49 THR H 2.300 . 2.300 2.352 2.330 2.371 0.071 8 0 "[ . 1 . 2]" 2
13 1 39 LYS O 1 48 ILE N 3.300 . 3.300 3.111 2.902 3.207 . 0 0 "[ . 1 . 2]" 2
14 1 39 LYS O 1 48 ILE H 2.300 . 2.300 2.234 2.004 2.344 0.044 14 0 "[ . 1 . 2]" 2
15 1 41 CYS N 1 46 GLN O 3.300 . 3.300 2.662 2.615 2.725 . 0 0 "[ . 1 . 2]" 2
16 1 41 CYS H 1 46 GLN O 2.300 . 2.300 1.677 1.631 1.740 . 0 0 "[ . 1 . 2]" 2
17 1 41 CYS O 1 45 ARG N 3.300 . 3.300 2.648 2.622 2.686 . 0 0 "[ . 1 . 2]" 2
18 1 41 CYS O 1 45 ARG H 2.300 . 2.300 1.708 1.675 1.755 . 0 0 "[ . 1 . 2]" 2
19 1 32 TYR O 1 35 LEU N 3.300 . 3.300 3.032 3.008 3.067 . 0 0 "[ . 1 . 2]" 2
20 1 32 TYR O 1 35 LEU H 2.300 . 2.300 2.522 2.496 2.546 0.246 16 0 "[ . 1 . 2]" 2
21 1 31 CYS O 1 35 LEU N 3.300 . 3.300 3.201 2.990 3.295 . 0 0 "[ . 1 . 2]" 2
22 1 31 CYS O 1 35 LEU H 2.300 . 2.300 2.226 2.016 2.316 0.016 15 0 "[ . 1 . 2]" 2
23 1 30 GLU O 1 34 ALA N 3.300 . 3.300 2.994 2.841 3.088 . 0 0 "[ . 1 . 2]" 2
24 1 30 GLU O 1 34 ALA H 2.300 . 2.300 2.151 1.954 2.259 . 0 0 "[ . 1 . 2]" 2
25 1 29 THR O 1 33 ARG N 3.300 . 3.300 2.895 2.803 2.984 . 0 0 "[ . 1 . 2]" 2
26 1 29 THR O 1 33 ARG H 2.300 . 2.300 1.902 1.804 1.998 . 0 0 "[ . 1 . 2]" 2
27 1 28 CYS O 1 32 TYR N 3.300 . 3.300 3.178 3.071 3.266 . 0 0 "[ . 1 . 2]" 2
28 1 28 CYS O 1 32 TYR H 2.300 . 2.300 2.271 2.141 2.358 0.058 11 0 "[ . 1 . 2]" 2
29 1 16 SER N 1 27 SER O 3.300 . 3.300 2.791 2.721 2.983 . 0 0 "[ . 1 . 2]" 2
30 1 16 SER H 1 27 SER O 2.300 . 2.300 2.040 1.945 2.267 . 0 0 "[ . 1 . 2]" 2
31 1 8 VAL N 1 26 CYS O 3.300 . 3.300 2.919 2.849 3.014 . 0 0 "[ . 1 . 2]" 2
32 1 8 VAL H 1 26 CYS O 2.300 . 2.300 1.943 1.875 2.044 . 0 0 "[ . 1 . 2]" 2
33 1 17 CYS O 1 26 CYS N 3.300 . 3.300 3.183 3.152 3.205 . 0 0 "[ . 1 . 2]" 2
34 1 17 CYS O 1 26 CYS H 2.300 . 2.300 2.377 2.351 2.410 0.110 20 0 "[ . 1 . 2]" 2
35 1 19 PHE N 1 24 HIS O 3.300 . 3.300 2.819 2.782 2.854 . 0 0 "[ . 1 . 2]" 2
36 1 19 PHE H 1 24 HIS O 2.300 . 2.300 1.823 1.790 1.858 . 0 0 "[ . 1 . 2]" 2
37 1 19 PHE O 1 23 GLY N 3.300 . 3.300 3.218 3.169 3.268 . 0 0 "[ . 1 . 2]" 2
38 1 19 PHE O 1 23 GLY H 2.300 . 2.300 2.351 2.317 2.379 0.079 1 0 "[ . 1 . 2]" 2
39 1 5 SER O 1 15 LYS N 3.300 . 3.300 2.750 2.705 2.846 . 0 0 "[ . 1 . 2]" 2
40 1 5 SER O 1 15 LYS H 2.300 . 2.300 1.800 1.749 1.908 . 0 0 "[ . 1 . 2]" 2
41 1 7 CYS N 1 13 SER O 3.300 . 3.300 2.812 2.723 2.917 . 0 0 "[ . 1 . 2]" 2
42 1 7 CYS H 1 13 SER O 2.300 . 2.300 1.879 1.778 2.006 . 0 0 "[ . 1 . 2]" 2
43 1 7 CYS O 1 11 LEU N 3.300 . 3.300 2.785 2.720 2.844 . 0 0 "[ . 1 . 2]" 2
44 1 7 CYS O 1 11 LEU H 2.300 . 2.300 2.097 1.957 2.212 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 21, 2024 10:20:40 AM GMT (wattos1)