NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
525119 |
2li8   |
17883 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2li8
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 1501
_Distance_constraint_stats_list.Viol_count 121
_Distance_constraint_stats_list.Viol_total 87.221
_Distance_constraint_stats_list.Viol_max 0.208
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0360
_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 14 GLY 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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.252 0.092 19 0 "[ . 1 . 2]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.037 0.037 5 0 "[ . 1 . 2]"
1 23 LYS 0.037 0.037 5 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ARG 0.216 0.111 19 0 "[ . 1 . 2]"
1 27 CYS 0.042 0.030 11 0 "[ . 1 . 2]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLY 0.042 0.030 11 0 "[ . 1 . 2]"
1 33 LEU 0.216 0.111 19 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.879 0.208 13 0 "[ . 1 . 2]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.572 0.065 18 0 "[ . 1 . 2]"
1 43 PRO 0.112 0.017 9 0 "[ . 1 . 2]"
1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLN 0.459 0.065 18 0 "[ . 1 . 2]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 1.486 0.096 5 0 "[ . 1 . 2]"
1 49 CYS 0.229 0.056 14 0 "[ . 1 . 2]"
1 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.229 0.056 14 0 "[ . 1 . 2]"
1 55 ILE 1.486 0.096 5 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 HIS 0.011 0.005 17 0 "[ . 1 . 2]"
1 58 MET 0.011 0.005 17 0 "[ . 1 . 2]"
1 59 VAL 0.002 0.002 9 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.002 0.002 9 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.121 0.078 5 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLN 0.157 0.078 5 0 "[ . 1 . 2]"
1 68 GLN 0.036 0.036 4 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 U 0.478 0.034 18 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 14 GLY H 1 15 LYS QG 4.980 . 5.480 3.922 2.567 4.469 . 0 0 "[ . 1 . 2]" 1
2 1 14 GLY QA 1 15 LYS H 2.990 . 3.490 2.428 2.199 2.822 . 0 0 "[ . 1 . 2]" 1
3 1 14 GLY QA 1 15 LYS HA 4.700 . 5.200 4.083 4.004 4.398 . 0 0 "[ . 1 . 2]" 1
4 1 14 GLY QA 1 15 LYS QB 6.210 . 6.710 4.161 3.946 4.535 . 0 0 "[ . 1 . 2]" 1
5 1 14 GLY QA 1 15 LYS QD 6.150 . 6.650 4.706 4.110 4.966 . 0 0 "[ . 1 . 2]" 1
6 1 14 GLY QA 1 15 LYS QG 5.370 . 5.870 3.339 3.035 3.996 . 0 0 "[ . 1 . 2]" 1
7 1 15 LYS H 1 15 LYS QB 3.660 . 4.160 2.875 2.356 3.364 . 0 0 "[ . 1 . 2]" 1
8 1 15 LYS H 1 15 LYS HG2 4.370 . 4.870 3.580 2.574 4.241 . 0 0 "[ . 1 . 2]" 1
9 1 15 LYS H 1 15 LYS QG 3.940 . 4.440 2.885 2.072 3.233 . 0 0 "[ . 1 . 2]" 1
10 1 15 LYS H 1 15 LYS HG3 4.370 . 4.870 3.367 2.088 4.422 . 0 0 "[ . 1 . 2]" 1
11 1 15 LYS HA 1 15 LYS QD 4.880 . 5.380 3.480 2.007 4.256 . 0 0 "[ . 1 . 2]" 1
12 1 15 LYS HA 1 15 LYS QE 5.240 . 5.740 4.147 3.022 4.670 . 0 0 "[ . 1 . 2]" 1
13 1 15 LYS HA 1 15 LYS HG2 3.790 . 4.290 2.698 2.430 3.157 . 0 0 "[ . 1 . 2]" 1
14 1 15 LYS HA 1 15 LYS QG 3.600 . 4.100 2.583 2.355 3.012 . 0 0 "[ . 1 . 2]" 1
15 1 15 LYS HA 1 15 LYS HG3 3.790 . 4.290 3.307 2.888 3.809 . 0 0 "[ . 1 . 2]" 1
16 1 15 LYS HA 1 16 SER H 3.100 . 3.600 2.551 2.186 3.171 . 0 0 "[ . 1 . 2]" 1
17 1 15 LYS HA 1 16 SER QB 5.200 . 5.700 4.226 3.710 4.689 . 0 0 "[ . 1 . 2]" 1
18 1 15 LYS QB 1 16 SER H 4.040 . 4.540 2.306 1.820 3.426 . 0 0 "[ . 1 . 2]" 1
19 1 15 LYS QB 1 16 SER HA 4.850 . 5.350 4.064 3.852 4.411 . 0 0 "[ . 1 . 2]" 1
20 1 15 LYS HB2 1 16 SER H 4.110 . 4.610 3.418 2.793 4.128 . 0 0 "[ . 1 . 2]" 1
21 1 15 LYS HB2 1 16 SER HA 5.170 . 5.670 4.797 4.404 5.199 . 0 0 "[ . 1 . 2]" 1
22 1 15 LYS HB2 1 16 SER QB 5.780 . 6.280 4.718 3.568 5.216 . 0 0 "[ . 1 . 2]" 1
23 1 15 LYS HB3 1 16 SER H 4.110 . 4.610 2.380 1.844 4.238 . 0 0 "[ . 1 . 2]" 1
24 1 15 LYS HB3 1 16 SER HA 5.170 . 5.670 4.414 4.056 4.882 . 0 0 "[ . 1 . 2]" 1
25 1 15 LYS HB3 1 16 SER QB 5.780 . 6.280 4.391 3.539 5.040 . 0 0 "[ . 1 . 2]" 1
26 1 15 LYS QG 1 16 SER H 5.460 . 5.960 3.995 3.673 4.584 . 0 0 "[ . 1 . 2]" 1
27 1 16 SER HA 1 17 MET H 2.790 . 3.290 2.488 2.176 2.784 . 0 0 "[ . 1 . 2]" 1
28 1 16 SER HA 1 17 MET QB 5.080 . 5.580 4.362 4.062 4.635 . 0 0 "[ . 1 . 2]" 1
29 1 16 SER HA 1 17 MET ME 5.880 . 6.380 4.575 3.472 4.927 . 0 0 "[ . 1 . 2]" 1
30 1 16 SER QB 1 17 MET H 4.160 . 4.660 3.017 2.169 3.893 . 0 0 "[ . 1 . 2]" 1
31 1 17 MET H 1 17 MET QB 3.580 . 4.080 2.890 2.291 3.270 . 0 0 "[ . 1 . 2]" 1
32 1 17 MET H 1 17 MET ME 5.500 . 6.000 4.003 2.907 4.410 . 0 0 "[ . 1 . 2]" 1
33 1 17 MET H 1 17 MET QG 4.470 . 4.970 2.857 2.093 3.888 . 0 0 "[ . 1 . 2]" 1
34 1 17 MET HA 1 17 MET HB2 3.000 . 3.500 2.797 2.271 3.049 . 0 0 "[ . 1 . 2]" 1
35 1 17 MET HA 1 17 MET HB3 3.000 . 3.500 2.504 2.417 2.606 . 0 0 "[ . 1 . 2]" 1
36 1 17 MET HA 1 17 MET HG2 3.950 . 4.450 3.159 2.397 3.761 . 0 0 "[ . 1 . 2]" 1
37 1 17 MET HA 1 17 MET QG 3.790 . 4.290 2.775 2.297 3.375 . 0 0 "[ . 1 . 2]" 1
38 1 17 MET HA 1 17 MET HG3 3.950 . 4.450 3.300 2.325 4.166 . 0 0 "[ . 1 . 2]" 1
39 1 17 MET HA 1 18 GLN H 2.710 . 3.210 2.520 2.126 2.894 . 0 0 "[ . 1 . 2]" 1
40 1 17 MET QB 1 18 GLN H 4.580 . 5.080 2.786 2.015 3.894 . 0 0 "[ . 1 . 2]" 1
41 1 18 GLN H 1 18 GLN QB 3.260 . 3.760 2.551 2.070 2.980 . 0 0 "[ . 1 . 2]" 1
42 1 18 GLN H 1 18 GLN QG 4.150 . 4.650 2.903 2.198 3.792 . 0 0 "[ . 1 . 2]" 1
43 1 18 GLN HA 1 18 GLN QG 3.400 . 3.900 2.426 2.305 2.911 . 0 0 "[ . 1 . 2]" 1
44 1 18 GLN HA 1 19 LYS H 3.380 . 3.880 2.579 2.242 3.463 . 0 0 "[ . 1 . 2]" 1
45 1 18 GLN QB 1 19 LYS H 3.770 . 4.270 2.482 1.939 3.210 . 0 0 "[ . 1 . 2]" 1
46 1 18 GLN QG 1 19 LYS H 4.700 . 5.200 3.873 3.512 4.242 . 0 0 "[ . 1 . 2]" 1
47 1 19 LYS H 1 19 LYS QB 3.260 . 3.760 2.607 2.188 3.114 . 0 0 "[ . 1 . 2]" 1
48 1 19 LYS H 1 19 LYS QE 6.120 . 6.620 4.153 1.976 5.076 . 0 0 "[ . 1 . 2]" 1
49 1 19 LYS H 1 19 LYS QG 4.820 . 5.320 3.489 2.034 4.428 . 0 0 "[ . 1 . 2]" 1
50 1 19 LYS HA 1 19 LYS QD 3.790 . 4.290 2.573 2.037 3.446 . 0 0 "[ . 1 . 2]" 1
51 1 19 LYS HA 1 19 LYS QE 4.820 . 5.320 2.636 1.708 4.297 0.092 19 0 "[ . 1 . 2]" 1
52 1 19 LYS QB 1 19 LYS QE 3.940 . 4.440 2.233 1.931 3.174 . 0 0 "[ . 1 . 2]" 1
53 1 19 LYS QE 1 19 LYS QG 3.250 . 3.750 2.343 2.183 2.433 . 0 0 "[ . 1 . 2]" 1
54 1 20 ARG H 1 20 ARG QB 3.430 . 3.930 2.606 2.125 3.177 . 0 0 "[ . 1 . 2]" 1
55 1 20 ARG H 1 20 ARG QD 5.170 . 5.670 4.340 3.938 4.761 . 0 0 "[ . 1 . 2]" 1
56 1 20 ARG H 1 20 ARG QG 4.490 . 4.990 3.224 2.272 4.039 . 0 0 "[ . 1 . 2]" 1
57 1 20 ARG HA 1 20 ARG HB2 2.860 . 3.360 2.872 2.389 3.028 . 0 0 "[ . 1 . 2]" 1
58 1 20 ARG HA 1 20 ARG HB3 2.860 . 3.360 2.612 2.370 3.032 . 0 0 "[ . 1 . 2]" 1
59 1 20 ARG HA 1 20 ARG QD 4.160 . 4.660 3.322 1.963 3.934 . 0 0 "[ . 1 . 2]" 1
60 1 20 ARG HA 1 21 ARG H 3.260 . 3.760 2.797 2.193 3.520 . 0 0 "[ . 1 . 2]" 1
61 1 20 ARG QB 1 21 ARG H 3.180 . 3.680 2.305 1.821 2.901 . 0 0 "[ . 1 . 2]" 1
62 1 20 ARG HB2 1 20 ARG QD 3.740 . 4.240 2.781 2.156 3.338 . 0 0 "[ . 1 . 2]" 1
63 1 20 ARG HB3 1 20 ARG QD 3.740 . 4.240 2.385 2.225 3.148 . 0 0 "[ . 1 . 2]" 1
64 1 20 ARG QD 1 21 ARG H 5.300 . 5.800 4.042 3.354 4.823 . 0 0 "[ . 1 . 2]" 1
65 1 20 ARG QD 2 7 U H6 6.730 . 7.230 5.095 3.186 6.042 . 0 0 "[ . 1 . 2]" 1
66 1 21 ARG H 1 21 ARG QD 5.420 . 5.920 3.984 3.170 4.676 . 0 0 "[ . 1 . 2]" 1
67 1 21 ARG H 1 21 ARG QG 3.660 . 4.160 2.587 1.971 3.343 . 0 0 "[ . 1 . 2]" 1
68 1 21 ARG HA 1 21 ARG QD 4.580 . 5.080 3.311 1.904 4.284 . 0 0 "[ . 1 . 2]" 1
69 1 21 ARG HA 1 22 SER H 2.950 . 3.450 2.773 2.150 3.186 . 0 0 "[ . 1 . 2]" 1
70 1 21 ARG QB 1 22 SER H 4.530 . 5.030 3.125 1.995 3.985 . 0 0 "[ . 1 . 2]" 1
71 1 21 ARG HB2 1 21 ARG QD 3.700 . 4.200 2.688 2.163 3.468 . 0 0 "[ . 1 . 2]" 1
72 1 21 ARG HB2 1 22 SER H 4.630 . 5.130 3.745 2.449 4.459 . 0 0 "[ . 1 . 2]" 1
73 1 21 ARG HB2 2 6 A H1' 6.000 . 6.500 4.817 2.951 6.034 . 0 0 "[ . 1 . 2]" 1
74 1 21 ARG HB2 2 6 A H8 6.000 . 6.500 4.014 2.072 6.133 . 0 0 "[ . 1 . 2]" 1
75 1 21 ARG HB3 1 21 ARG QD 3.700 . 4.200 2.537 2.209 3.315 . 0 0 "[ . 1 . 2]" 1
76 1 21 ARG HB3 1 22 SER H 4.630 . 5.130 3.637 2.013 4.506 . 0 0 "[ . 1 . 2]" 1
77 1 21 ARG QD 1 22 SER H 5.980 . 6.480 4.560 3.061 5.510 . 0 0 "[ . 1 . 2]" 1
78 1 21 ARG QG 1 22 SER H 5.160 . 5.660 4.079 3.295 4.691 . 0 0 "[ . 1 . 2]" 1
79 1 22 SER QB 1 23 LYS H 5.060 . 5.560 3.266 1.763 4.056 0.037 5 0 "[ . 1 . 2]" 1
80 1 23 LYS HA 1 23 LYS QD 4.620 . 5.120 3.792 2.081 4.331 . 0 0 "[ . 1 . 2]" 1
81 1 23 LYS HA 1 23 LYS QE 5.300 . 5.800 4.085 2.718 4.542 . 0 0 "[ . 1 . 2]" 1
82 1 23 LYS HA 1 24 GLY QA 4.980 . 5.480 4.122 3.924 4.422 . 0 0 "[ . 1 . 2]" 1
83 1 23 LYS HB2 1 23 LYS QE 3.810 . 4.310 2.482 1.900 3.324 . 0 0 "[ . 1 . 2]" 1
84 1 23 LYS HB3 1 23 LYS QE 3.810 . 4.310 2.390 1.904 3.419 . 0 0 "[ . 1 . 2]" 1
85 1 23 LYS QG 1 24 GLY QA 6.190 . 6.690 4.102 3.040 5.174 . 0 0 "[ . 1 . 2]" 1
86 1 24 GLY QA 1 25 ASP QB 6.510 . 7.010 4.351 3.759 4.754 . 0 0 "[ . 1 . 2]" 1
87 1 25 ASP H 1 26 ARG H 4.850 . 5.350 4.506 4.328 4.664 . 0 0 "[ . 1 . 2]" 1
88 1 25 ASP HA 1 26 ARG H 2.970 . 3.470 2.536 2.195 2.777 . 0 0 "[ . 1 . 2]" 1
89 1 25 ASP HA 1 26 ARG HB2 4.620 . 5.120 4.224 4.030 4.428 . 0 0 "[ . 1 . 2]" 1
90 1 25 ASP HA 1 26 ARG HG3 5.500 . 6.000 3.506 3.200 4.082 . 0 0 "[ . 1 . 2]" 1
91 1 25 ASP HA 1 28 TYR QE 5.520 . 6.020 4.836 4.022 5.046 . 0 0 "[ . 1 . 2]" 1
92 1 25 ASP QB 1 26 ARG H 4.210 . 4.710 2.470 2.082 2.804 . 0 0 "[ . 1 . 2]" 1
93 1 25 ASP QB 1 26 ARG HB2 5.680 . 6.180 4.845 4.472 5.097 . 0 0 "[ . 1 . 2]" 1
94 1 25 ASP QB 1 28 TYR QE 7.650 . 8.150 3.081 2.343 5.015 . 0 0 "[ . 1 . 2]" 1
95 1 25 ASP QB 1 36 HIS HD2 6.750 . 7.250 5.330 3.473 6.028 . 0 0 "[ . 1 . 2]" 1
96 1 25 ASP QB 2 5 G H1 4.490 . 4.990 4.031 3.769 4.154 . 0 0 "[ . 1 . 2]" 1
97 1 26 ARG H 1 26 ARG HB2 2.820 . 3.320 2.619 2.361 2.804 . 0 0 "[ . 1 . 2]" 1
98 1 26 ARG H 1 26 ARG QD 5.580 . 6.080 4.485 3.991 5.014 . 0 0 "[ . 1 . 2]" 1
99 1 26 ARG H 1 26 ARG HG2 4.870 . 5.370 4.296 4.118 4.481 . 0 0 "[ . 1 . 2]" 1
100 1 26 ARG H 1 26 ARG HG3 3.710 . 4.210 3.311 3.034 3.583 . 0 0 "[ . 1 . 2]" 1
101 1 26 ARG H 1 27 CYS H 4.630 . 5.130 4.418 4.320 4.461 . 0 0 "[ . 1 . 2]" 1
102 1 26 ARG H 2 5 G H1 5.000 . 5.500 3.811 3.413 4.173 . 0 0 "[ . 1 . 2]" 1
103 1 26 ARG HA 1 26 ARG HD2 5.150 . 5.650 4.525 4.208 4.606 . 0 0 "[ . 1 . 2]" 1
104 1 26 ARG HA 1 26 ARG HD3 5.150 . 5.650 4.439 4.227 4.701 . 0 0 "[ . 1 . 2]" 1
105 1 26 ARG HA 1 27 CYS HB3 5.330 . 5.830 4.706 4.433 4.852 . 0 0 "[ . 1 . 2]" 1
106 1 26 ARG HA 1 33 LEU MD2 5.740 . 6.240 4.455 4.189 4.721 . 0 0 "[ . 1 . 2]" 1
107 1 26 ARG HA 2 5 G H1 5.000 . 5.500 4.074 3.767 4.456 . 0 0 "[ . 1 . 2]" 1
108 1 26 ARG HB2 1 27 CYS H 4.910 . 5.410 3.657 3.470 3.980 . 0 0 "[ . 1 . 2]" 1
109 1 26 ARG HB2 1 31 GLY HA2 4.420 . 4.920 3.109 2.744 3.597 . 0 0 "[ . 1 . 2]" 1
110 1 26 ARG HB2 1 31 GLY HA3 5.280 . 5.780 4.467 4.132 4.972 . 0 0 "[ . 1 . 2]" 1
111 1 26 ARG HB2 1 33 LEU MD2 5.740 . 6.240 4.459 4.283 4.557 . 0 0 "[ . 1 . 2]" 1
112 1 26 ARG HB3 1 26 ARG HE 4.750 . 5.250 4.332 3.066 4.730 . 0 0 "[ . 1 . 2]" 1
113 1 26 ARG HB3 1 27 CYS H 3.630 . 4.130 2.364 2.192 2.787 . 0 0 "[ . 1 . 2]" 1
114 1 26 ARG HB3 1 31 GLY H 4.530 . 5.030 4.184 4.033 4.317 . 0 0 "[ . 1 . 2]" 1
115 1 26 ARG HB3 1 31 GLY HA2 4.210 . 4.710 2.817 2.680 2.958 . 0 0 "[ . 1 . 2]" 1
116 1 26 ARG HB3 1 31 GLY HA3 4.310 . 4.810 4.105 3.993 4.233 . 0 0 "[ . 1 . 2]" 1
117 1 26 ARG HB3 1 33 LEU MD2 5.280 . 5.780 3.529 3.327 3.730 . 0 0 "[ . 1 . 2]" 1
118 1 26 ARG QD 1 27 CYS H 5.230 . 5.730 4.435 4.183 4.655 . 0 0 "[ . 1 . 2]" 1
119 1 26 ARG QD 1 31 GLY HA2 4.460 . 4.960 3.708 3.224 4.004 . 0 0 "[ . 1 . 2]" 1
120 1 26 ARG QD 1 31 GLY HA3 5.330 . 5.830 4.074 3.650 4.409 . 0 0 "[ . 1 . 2]" 1
121 1 26 ARG QD 1 32 GLY H 5.520 . 6.020 4.672 4.042 4.916 . 0 0 "[ . 1 . 2]" 1
122 1 26 ARG QD 1 33 LEU H 4.840 . 5.340 4.295 3.975 4.386 . 0 0 "[ . 1 . 2]" 1
123 1 26 ARG QD 1 33 LEU HA 4.850 . 5.350 4.064 3.702 4.223 . 0 0 "[ . 1 . 2]" 1
124 1 26 ARG QD 1 33 LEU MD1 5.590 . 6.090 4.051 3.469 4.209 . 0 0 "[ . 1 . 2]" 1
125 1 26 ARG HD2 1 33 LEU MD2 4.160 . 4.660 3.186 2.049 3.487 . 0 0 "[ . 1 . 2]" 1
126 1 26 ARG HD3 1 33 LEU MD2 4.160 . 4.660 2.081 1.888 2.224 . 0 0 "[ . 1 . 2]" 1
127 1 26 ARG HE 1 32 GLY HA2 5.500 . 6.000 5.475 5.167 5.629 . 0 0 "[ . 1 . 2]" 1
128 1 26 ARG HE 1 33 LEU MD2 5.700 . 6.200 2.368 1.689 4.084 0.111 19 0 "[ . 1 . 2]" 1
129 1 26 ARG HG2 1 32 GLY HA2 4.550 . 5.050 4.580 4.476 4.639 . 0 0 "[ . 1 . 2]" 1
130 1 26 ARG HG2 1 33 LEU H 5.120 . 5.620 4.287 4.154 4.589 . 0 0 "[ . 1 . 2]" 1
131 1 26 ARG HG2 1 33 LEU HA 4.290 . 4.790 2.550 2.279 3.069 . 0 0 "[ . 1 . 2]" 1
132 1 26 ARG HG2 1 33 LEU MD1 5.390 . 5.890 4.102 3.979 4.384 . 0 0 "[ . 1 . 2]" 1
133 1 26 ARG HG3 1 27 CYS H 4.830 . 5.330 4.714 4.514 4.848 . 0 0 "[ . 1 . 2]" 1
134 1 26 ARG HG3 1 31 GLY HA2 5.500 . 6.000 5.354 4.973 5.551 . 0 0 "[ . 1 . 2]" 1
135 1 26 ARG HG3 1 33 LEU HA 5.500 . 6.000 4.152 3.846 4.770 . 0 0 "[ . 1 . 2]" 1
136 1 26 ARG HG3 1 33 LEU MD1 6.060 . 6.560 5.009 4.879 5.073 . 0 0 "[ . 1 . 2]" 1
137 1 26 ARG HG3 1 33 LEU MD2 4.360 . 4.860 3.676 3.644 3.725 . 0 0 "[ . 1 . 2]" 1
138 1 27 CYS H 1 27 CYS HB2 3.540 . 4.040 2.601 2.511 2.659 . 0 0 "[ . 1 . 2]" 1
139 1 27 CYS H 1 27 CYS HB3 3.330 . 3.830 2.287 2.215 2.366 . 0 0 "[ . 1 . 2]" 1
140 1 27 CYS H 1 30 CYS H 5.420 . 5.920 5.102 5.025 5.180 . 0 0 "[ . 1 . 2]" 1
141 1 27 CYS H 1 31 GLY H 4.090 . 4.590 3.985 3.834 4.090 . 0 0 "[ . 1 . 2]" 1
142 1 27 CYS H 1 31 GLY HA2 4.880 . 5.380 3.959 3.691 4.113 . 0 0 "[ . 1 . 2]" 1
143 1 27 CYS H 1 32 GLY H 4.000 . 4.500 3.449 3.184 3.651 . 0 0 "[ . 1 . 2]" 1
144 1 27 CYS H 1 32 GLY HA2 4.870 . 5.370 4.600 4.499 4.706 . 0 0 "[ . 1 . 2]" 1
145 1 27 CYS H 1 32 GLY HA3 5.050 . 5.550 4.241 4.069 4.403 . 0 0 "[ . 1 . 2]" 1
146 1 27 CYS H 1 33 LEU H 5.490 . 5.990 4.808 4.732 4.857 . 0 0 "[ . 1 . 2]" 1
147 1 27 CYS H 1 33 LEU HA 4.100 . 4.600 3.378 3.257 3.523 . 0 0 "[ . 1 . 2]" 1
148 1 27 CYS H 1 33 LEU MD2 5.520 . 6.020 4.623 4.596 4.670 . 0 0 "[ . 1 . 2]" 1
149 1 27 CYS H 1 35 HIS H 5.120 . 5.620 4.466 4.268 4.683 . 0 0 "[ . 1 . 2]" 1
150 1 27 CYS H 1 35 HIS HD2 5.460 . 5.960 5.453 5.222 5.527 . 0 0 "[ . 1 . 2]" 1
151 1 27 CYS H 2 5 G H1 4.000 . 4.500 3.969 3.678 4.137 . 0 0 "[ . 1 . 2]" 1
152 1 27 CYS HA 1 28 TYR H 3.280 . 3.780 2.129 2.084 2.154 . 0 0 "[ . 1 . 2]" 1
153 1 27 CYS HA 1 28 TYR HB2 5.070 . 5.570 4.392 4.221 4.540 . 0 0 "[ . 1 . 2]" 1
154 1 27 CYS HA 1 29 ASN H 4.790 . 5.290 3.511 3.410 3.555 . 0 0 "[ . 1 . 2]" 1
155 1 27 CYS HA 1 31 GLY H 5.200 . 5.700 4.479 4.394 4.557 . 0 0 "[ . 1 . 2]" 1
156 1 27 CYS HA 1 35 HIS HD2 5.470 . 5.970 4.724 4.471 4.831 . 0 0 "[ . 1 . 2]" 1
157 1 27 CYS HA 1 36 HIS HA 3.530 . 4.030 2.208 2.050 2.334 . 0 0 "[ . 1 . 2]" 1
158 1 27 CYS HA 1 36 HIS HD2 5.180 . 5.680 3.138 2.819 3.507 . 0 0 "[ . 1 . 2]" 1
159 1 27 CYS HA 1 37 ALA H 4.190 . 4.690 2.648 2.464 2.741 . 0 0 "[ . 1 . 2]" 1
160 1 27 CYS HA 1 37 ALA MB 5.580 . 6.080 3.402 3.255 3.584 . 0 0 "[ . 1 . 2]" 1
161 1 27 CYS HA 2 5 G H1 2.800 . 3.300 2.678 2.484 2.841 . 0 0 "[ . 1 . 2]" 1
162 1 27 CYS HB2 1 28 TYR H 4.790 . 5.290 4.278 4.202 4.358 . 0 0 "[ . 1 . 2]" 1
163 1 27 CYS HB2 1 30 CYS H 4.790 . 5.290 4.214 4.153 4.281 . 0 0 "[ . 1 . 2]" 1
164 1 27 CYS HB2 1 30 CYS HB3 5.500 . 6.000 5.549 5.516 5.576 . 0 0 "[ . 1 . 2]" 1
165 1 27 CYS HB2 1 31 GLY H 4.240 . 4.740 3.937 3.797 4.038 . 0 0 "[ . 1 . 2]" 1
166 1 27 CYS HB2 1 32 GLY H 3.740 . 4.240 3.476 3.366 3.564 . 0 0 "[ . 1 . 2]" 1
167 1 27 CYS HB2 1 35 HIS H 5.500 . 6.000 4.083 4.007 4.204 . 0 0 "[ . 1 . 2]" 1
168 1 27 CYS HB2 1 35 HIS HD2 3.760 . 4.260 2.922 2.683 2.981 . 0 0 "[ . 1 . 2]" 1
169 1 27 CYS HB2 1 35 HIS HE1 5.500 . 6.000 4.398 4.247 4.540 . 0 0 "[ . 1 . 2]" 1
170 1 27 CYS HB2 1 40 CYS H 5.380 . 5.880 5.450 5.410 5.486 . 0 0 "[ . 1 . 2]" 1
171 1 27 CYS HB3 1 28 TYR H 4.650 . 5.150 4.503 4.465 4.534 . 0 0 "[ . 1 . 2]" 1
172 1 27 CYS HB3 1 30 CYS H 4.650 . 5.150 3.191 3.136 3.264 . 0 0 "[ . 1 . 2]" 1
173 1 27 CYS HB3 1 31 GLY H 2.910 . 3.410 2.313 2.199 2.415 . 0 0 "[ . 1 . 2]" 1
174 1 27 CYS HB3 1 31 GLY HA3 5.250 . 5.750 4.661 4.463 4.838 . 0 0 "[ . 1 . 2]" 1
175 1 27 CYS HB3 1 32 GLY H 3.300 . 3.800 1.889 1.770 2.003 0.030 11 0 "[ . 1 . 2]" 1
176 1 27 CYS HB3 1 32 GLY HA2 4.760 . 5.260 4.273 4.219 4.336 . 0 0 "[ . 1 . 2]" 1
177 1 27 CYS HB3 1 32 GLY HA3 4.900 . 5.400 3.365 3.286 3.481 . 0 0 "[ . 1 . 2]" 1
178 1 27 CYS HB3 1 33 LEU H 5.180 . 5.680 5.200 5.106 5.255 . 0 0 "[ . 1 . 2]" 1
179 1 27 CYS HB3 1 33 LEU MD2 6.610 . 7.110 5.306 5.270 5.336 . 0 0 "[ . 1 . 2]" 1
180 1 27 CYS HB3 1 35 HIS H 4.980 . 5.480 4.969 4.846 5.021 . 0 0 "[ . 1 . 2]" 1
181 1 27 CYS HB3 1 35 HIS HE1 4.680 . 5.180 4.151 4.002 4.388 . 0 0 "[ . 1 . 2]" 1
182 1 27 CYS HB3 1 36 HIS HA 5.160 . 5.660 4.138 3.916 4.304 . 0 0 "[ . 1 . 2]" 1
183 1 27 CYS HB3 1 36 HIS HD2 5.500 . 6.000 5.378 5.152 5.541 . 0 0 "[ . 1 . 2]" 1
184 1 27 CYS HB3 1 37 ALA H 5.130 . 5.630 5.142 5.063 5.182 . 0 0 "[ . 1 . 2]" 1
185 1 28 TYR H 1 28 TYR HB2 3.990 . 4.490 2.309 2.136 2.463 . 0 0 "[ . 1 . 2]" 1
186 1 28 TYR H 1 28 TYR HB3 4.150 . 4.650 3.533 3.463 3.581 . 0 0 "[ . 1 . 2]" 1
187 1 28 TYR H 1 28 TYR QD 4.800 . 5.300 2.935 2.202 3.321 . 0 0 "[ . 1 . 2]" 1
188 1 28 TYR H 1 28 TYR QE 5.700 . 6.200 4.687 4.535 4.866 . 0 0 "[ . 1 . 2]" 1
189 1 28 TYR H 1 29 ASN H 4.000 . 4.500 2.878 2.756 2.951 . 0 0 "[ . 1 . 2]" 1
190 1 28 TYR H 1 29 ASN HB2 5.500 . 6.000 4.730 4.654 4.844 . 0 0 "[ . 1 . 2]" 1
191 1 28 TYR H 1 29 ASN HB3 5.500 . 6.000 4.944 4.834 5.113 . 0 0 "[ . 1 . 2]" 1
192 1 28 TYR H 1 30 CYS H 4.650 . 5.150 4.626 4.546 4.672 . 0 0 "[ . 1 . 2]" 1
193 1 28 TYR H 1 36 HIS HD2 5.500 . 6.000 4.467 3.995 5.022 . 0 0 "[ . 1 . 2]" 1
194 1 28 TYR H 1 37 ALA H 4.310 . 4.810 2.746 2.588 2.875 . 0 0 "[ . 1 . 2]" 1
195 1 28 TYR H 1 37 ALA HA 4.990 . 5.490 3.925 3.810 4.043 . 0 0 "[ . 1 . 2]" 1
196 1 28 TYR H 1 37 ALA MB 4.590 . 5.090 2.239 2.115 2.352 . 0 0 "[ . 1 . 2]" 1
197 1 28 TYR H 2 5 G H1 2.800 . 3.300 2.576 2.171 2.726 . 0 0 "[ . 1 . 2]" 1
198 1 28 TYR HA 1 28 TYR HB3 2.990 . 3.490 2.557 2.487 2.691 . 0 0 "[ . 1 . 2]" 1
199 1 28 TYR QB 2 4 A H8 6.730 . 7.230 4.619 3.474 5.821 . 0 0 "[ . 1 . 2]" 1
200 1 28 TYR QB 2 5 G H1 4.490 . 4.990 3.998 3.723 4.100 . 0 0 "[ . 1 . 2]" 1
201 1 28 TYR HB2 1 29 ASN H 4.580 . 5.080 3.772 3.337 3.942 . 0 0 "[ . 1 . 2]" 1
202 1 28 TYR HB2 1 29 ASN HA 5.500 . 6.000 4.863 4.439 5.181 . 0 0 "[ . 1 . 2]" 1
203 1 28 TYR HB2 1 37 ALA MB 5.250 . 5.750 2.160 1.941 2.331 . 0 0 "[ . 1 . 2]" 1
204 1 28 TYR HB3 1 29 ASN H 5.080 . 5.580 4.311 4.074 4.450 . 0 0 "[ . 1 . 2]" 1
205 1 28 TYR HB3 1 37 ALA MB 6.080 . 6.580 3.385 3.037 3.606 . 0 0 "[ . 1 . 2]" 1
206 1 28 TYR QD 1 29 ASN H 5.880 . 6.380 4.744 4.547 4.973 . 0 0 "[ . 1 . 2]" 1
207 1 28 TYR QD 1 36 HIS HD2 6.170 . 6.670 5.444 4.783 5.563 . 0 0 "[ . 1 . 2]" 1
208 1 28 TYR QD 1 37 ALA MB 6.670 . 7.170 3.600 3.261 3.936 . 0 0 "[ . 1 . 2]" 1
209 1 28 TYR QD 2 3 G H1' 6.730 . 7.230 2.971 2.137 3.754 . 0 0 "[ . 1 . 2]" 1
210 1 28 TYR QD 2 4 A H1' 6.170 . 6.670 4.545 3.482 5.356 . 0 0 "[ . 1 . 2]" 1
211 1 28 TYR QD 2 4 A Q5' 6.930 . 7.430 3.358 2.157 4.457 . 0 0 "[ . 1 . 2]" 1
212 1 28 TYR QD 2 4 A H8 6.170 . 6.670 3.766 2.735 4.775 . 0 0 "[ . 1 . 2]" 1
213 1 28 TYR QD 2 5 G H1 4.490 . 4.990 2.890 2.048 3.495 . 0 0 "[ . 1 . 2]" 1
214 1 28 TYR QE 1 37 ALA MB 7.410 . 7.910 5.268 4.961 5.541 . 0 0 "[ . 1 . 2]" 1
215 1 28 TYR QE 2 3 G H1' 6.730 . 7.230 3.567 2.393 4.297 . 0 0 "[ . 1 . 2]" 1
216 1 28 TYR QE 2 3 G H8 5.610 . 6.110 4.967 4.436 5.077 . 0 0 "[ . 1 . 2]" 1
217 1 28 TYR QE 2 4 A H4' 4.490 . 4.990 3.526 2.616 4.097 . 0 0 "[ . 1 . 2]" 1
218 1 28 TYR QE 2 4 A Q5' 5.040 . 5.540 2.935 1.920 3.896 . 0 0 "[ . 1 . 2]" 1
219 1 29 ASN H 1 29 ASN HB2 3.680 . 4.180 2.937 2.623 3.011 . 0 0 "[ . 1 . 2]" 1
220 1 29 ASN H 1 29 ASN HB3 3.500 . 4.000 2.596 2.517 2.681 . 0 0 "[ . 1 . 2]" 1
221 1 29 ASN H 1 29 ASN HD21 5.000 . 5.500 4.517 4.363 4.738 . 0 0 "[ . 1 . 2]" 1
222 1 29 ASN H 1 30 CYS H 3.370 . 3.870 2.053 1.988 2.336 . 0 0 "[ . 1 . 2]" 1
223 1 29 ASN H 1 30 CYS HA 5.070 . 5.570 4.752 4.693 4.989 . 0 0 "[ . 1 . 2]" 1
224 1 29 ASN H 1 30 CYS HB3 4.780 . 5.280 4.619 4.517 4.704 . 0 0 "[ . 1 . 2]" 1
225 1 29 ASN H 1 31 GLY H 3.650 . 4.150 3.323 3.249 3.603 . 0 0 "[ . 1 . 2]" 1
226 1 29 ASN H 1 32 GLY H 5.350 . 5.850 4.908 4.807 5.242 . 0 0 "[ . 1 . 2]" 1
227 1 29 ASN H 1 37 ALA HA 4.890 . 5.390 3.097 3.004 3.224 . 0 0 "[ . 1 . 2]" 1
228 1 29 ASN H 1 37 ALA MB 4.650 . 5.150 2.594 2.306 2.710 . 0 0 "[ . 1 . 2]" 1
229 1 29 ASN H 2 5 G H1 5.500 . 6.000 5.204 4.769 5.354 . 0 0 "[ . 1 . 2]" 1
230 1 29 ASN HA 1 29 ASN HD22 4.960 . 5.460 4.371 4.256 4.583 . 0 0 "[ . 1 . 2]" 1
231 1 29 ASN HA 1 30 CYS HB3 5.230 . 5.730 5.117 4.990 5.186 . 0 0 "[ . 1 . 2]" 1
232 1 29 ASN HA 1 31 GLY H 5.440 . 5.940 5.257 5.204 5.332 . 0 0 "[ . 1 . 2]" 1
233 1 29 ASN HA 1 37 ALA HA 5.500 . 6.000 4.720 4.537 4.928 . 0 0 "[ . 1 . 2]" 1
234 1 29 ASN HA 1 37 ALA MB 5.630 . 6.130 3.690 3.569 3.760 . 0 0 "[ . 1 . 2]" 1
235 1 29 ASN HA 1 44 PRO HA 5.500 . 6.000 3.811 3.107 5.322 . 0 0 "[ . 1 . 2]" 1
236 1 29 ASN HA 1 45 GLN H 5.420 . 5.920 3.735 3.422 4.207 . 0 0 "[ . 1 . 2]" 1
237 1 29 ASN HA 1 45 GLN HB2 5.310 . 5.810 4.202 3.025 4.620 . 0 0 "[ . 1 . 2]" 1
238 1 29 ASN HB2 1 30 CYS H 4.470 . 4.970 4.065 3.886 4.169 . 0 0 "[ . 1 . 2]" 1
239 1 29 ASN HB2 1 37 ALA H 5.250 . 5.750 4.831 4.653 4.952 . 0 0 "[ . 1 . 2]" 1
240 1 29 ASN HB2 1 37 ALA HA 5.270 . 5.770 2.682 2.441 2.825 . 0 0 "[ . 1 . 2]" 1
241 1 29 ASN HB2 1 37 ALA MB 4.780 . 5.280 2.075 1.982 2.212 . 0 0 "[ . 1 . 2]" 1
242 1 29 ASN HB3 1 29 ASN HD22 3.850 . 4.350 3.552 3.499 3.611 . 0 0 "[ . 1 . 2]" 1
243 1 29 ASN HB3 1 30 CYS H 3.500 . 4.000 2.884 2.648 3.048 . 0 0 "[ . 1 . 2]" 1
244 1 29 ASN HB3 1 30 CYS HA 4.990 . 5.490 4.689 4.459 4.810 . 0 0 "[ . 1 . 2]" 1
245 1 29 ASN HB3 1 30 CYS HB3 4.340 . 4.840 3.631 3.234 3.843 . 0 0 "[ . 1 . 2]" 1
246 1 29 ASN HB3 1 37 ALA H 5.500 . 6.000 4.933 4.754 5.170 . 0 0 "[ . 1 . 2]" 1
247 1 29 ASN HB3 1 37 ALA HA 4.700 . 5.200 2.372 2.179 2.727 . 0 0 "[ . 1 . 2]" 1
248 1 29 ASN HB3 1 37 ALA MB 4.730 . 5.230 3.071 2.872 3.262 . 0 0 "[ . 1 . 2]" 1
249 1 29 ASN HB3 1 40 CYS H 4.920 . 5.420 4.582 4.360 4.943 . 0 0 "[ . 1 . 2]" 1
250 1 29 ASN HB3 1 40 CYS HB2 4.790 . 5.290 2.623 2.434 2.953 . 0 0 "[ . 1 . 2]" 1
251 1 29 ASN HB3 1 40 CYS HB3 4.510 . 5.010 3.062 2.814 3.602 . 0 0 "[ . 1 . 2]" 1
252 1 29 ASN HB3 1 45 GLN H 5.500 . 6.000 4.971 4.601 5.273 . 0 0 "[ . 1 . 2]" 1
253 1 29 ASN HD21 1 30 CYS H 4.430 . 4.930 3.817 3.580 4.173 . 0 0 "[ . 1 . 2]" 1
254 1 29 ASN HD21 1 30 CYS HB2 5.130 . 5.630 4.314 4.110 4.601 . 0 0 "[ . 1 . 2]" 1
255 1 29 ASN HD21 1 30 CYS HB3 4.740 . 5.240 2.727 2.555 3.014 . 0 0 "[ . 1 . 2]" 1
256 1 29 ASN HD21 1 37 ALA HA 4.810 . 5.310 4.441 4.204 4.593 . 0 0 "[ . 1 . 2]" 1
257 1 29 ASN HD21 1 40 CYS HB2 4.180 . 4.680 3.528 3.275 3.806 . 0 0 "[ . 1 . 2]" 1
258 1 29 ASN HD21 1 40 CYS HB3 4.390 . 4.890 2.899 2.650 3.222 . 0 0 "[ . 1 . 2]" 1
259 1 29 ASN HD21 1 42 LEU H 4.350 . 4.850 3.666 3.397 3.978 . 0 0 "[ . 1 . 2]" 1
260 1 29 ASN HD21 1 42 LEU HB2 5.010 . 5.510 5.010 4.959 5.073 . 0 0 "[ . 1 . 2]" 1
261 1 29 ASN HD21 1 42 LEU MD1 4.100 . 4.600 1.918 1.809 2.123 . 0 0 "[ . 1 . 2]" 1
262 1 29 ASN HD21 1 42 LEU QD 6.050 . 6.550 1.915 1.807 2.117 . 0 0 "[ . 1 . 2]" 1
263 1 29 ASN HD21 1 42 LEU MD2 5.000 . 5.500 4.244 4.197 4.278 . 0 0 "[ . 1 . 2]" 1
264 1 29 ASN HD21 1 42 LEU HG 4.140 . 4.640 3.757 3.324 3.954 . 0 0 "[ . 1 . 2]" 1
265 1 29 ASN HD21 1 44 PRO HA 4.460 . 4.960 3.838 3.545 4.225 . 0 0 "[ . 1 . 2]" 1
266 1 29 ASN HD21 1 45 GLN HG2 4.360 . 4.860 3.655 3.158 4.036 . 0 0 "[ . 1 . 2]" 1
267 1 29 ASN HD21 1 45 GLN HG3 5.030 . 5.530 4.728 3.938 5.047 . 0 0 "[ . 1 . 2]" 1
268 1 29 ASN HD22 1 30 CYS HA 5.500 . 6.000 5.048 4.826 5.448 . 0 0 "[ . 1 . 2]" 1
269 1 29 ASN HD22 1 30 CYS HB3 4.760 . 5.260 4.210 4.069 4.498 . 0 0 "[ . 1 . 2]" 1
270 1 29 ASN HD22 1 40 CYS HB2 5.040 . 5.540 4.767 4.556 4.873 . 0 0 "[ . 1 . 2]" 1
271 1 29 ASN HD22 1 40 CYS HB3 4.500 . 5.000 3.620 3.299 3.900 . 0 0 "[ . 1 . 2]" 1
272 1 29 ASN HD22 1 42 LEU H 4.840 . 5.340 3.883 3.477 4.547 . 0 0 "[ . 1 . 2]" 1
273 1 29 ASN HD22 1 42 LEU HB2 5.030 . 5.530 4.657 4.534 4.838 . 0 0 "[ . 1 . 2]" 1
274 1 29 ASN HD22 1 42 LEU MD1 4.700 . 5.200 2.085 1.924 2.189 . 0 0 "[ . 1 . 2]" 1
275 1 29 ASN HD22 1 42 LEU QD 5.820 . 6.320 2.082 1.922 2.186 . 0 0 "[ . 1 . 2]" 1
276 1 29 ASN HD22 1 42 LEU HG 4.610 . 5.110 4.396 3.944 4.659 . 0 0 "[ . 1 . 2]" 1
277 1 29 ASN HD22 1 43 PRO HA 4.700 . 5.200 3.842 3.480 4.599 . 0 0 "[ . 1 . 2]" 1
278 1 29 ASN HD22 1 43 PRO HD2 5.500 . 6.000 5.201 5.006 5.432 . 0 0 "[ . 1 . 2]" 1
279 1 29 ASN HD22 1 44 PRO HA 3.820 . 4.320 2.727 2.546 3.041 . 0 0 "[ . 1 . 2]" 1
280 1 29 ASN HD22 1 44 PRO HB3 4.710 . 5.210 4.511 4.292 4.762 . 0 0 "[ . 1 . 2]" 1
281 1 29 ASN HD22 1 44 PRO HD2 5.500 . 6.000 5.211 4.942 5.526 . 0 0 "[ . 1 . 2]" 1
282 1 29 ASN HD22 1 44 PRO HD3 5.180 . 5.680 4.422 4.080 5.054 . 0 0 "[ . 1 . 2]" 1
283 1 29 ASN HD22 1 45 GLN H 4.370 . 4.870 3.191 2.176 3.600 . 0 0 "[ . 1 . 2]" 1
284 1 29 ASN HD22 1 45 GLN HB2 5.500 . 6.000 5.142 3.722 5.559 . 0 0 "[ . 1 . 2]" 1
285 1 29 ASN HD22 1 45 GLN HE21 4.630 . 5.130 3.962 3.378 4.313 . 0 0 "[ . 1 . 2]" 1
286 1 29 ASN HD22 1 45 GLN HG2 4.070 . 4.570 3.504 2.299 3.904 . 0 0 "[ . 1 . 2]" 1
287 1 29 ASN HD22 1 45 GLN HG3 5.410 . 5.910 5.030 3.759 5.433 . 0 0 "[ . 1 . 2]" 1
288 1 30 CYS H 1 30 CYS HB2 4.030 . 4.530 3.824 3.789 3.856 . 0 0 "[ . 1 . 2]" 1
289 1 30 CYS H 1 30 CYS HB3 3.630 . 4.130 2.877 2.753 2.960 . 0 0 "[ . 1 . 2]" 1
290 1 30 CYS H 1 31 GLY H 2.870 . 3.370 1.899 1.863 1.937 . 0 0 "[ . 1 . 2]" 1
291 1 30 CYS H 1 31 GLY HA2 4.270 . 4.770 4.073 4.025 4.098 . 0 0 "[ . 1 . 2]" 1
292 1 30 CYS H 1 31 GLY HA3 4.440 . 4.940 4.573 4.543 4.594 . 0 0 "[ . 1 . 2]" 1
293 1 30 CYS H 1 32 GLY H 4.140 . 4.640 3.538 3.479 3.595 . 0 0 "[ . 1 . 2]" 1
294 1 30 CYS H 1 37 ALA HA 5.100 . 5.600 4.184 4.129 4.278 . 0 0 "[ . 1 . 2]" 1
295 1 30 CYS H 1 37 ALA MB 5.720 . 6.220 4.300 4.226 4.396 . 0 0 "[ . 1 . 2]" 1
296 1 30 CYS H 1 42 LEU MD1 5.240 . 5.740 4.022 3.948 4.115 . 0 0 "[ . 1 . 2]" 1
297 1 30 CYS H 1 42 LEU QD 6.310 . 6.810 3.886 3.820 3.939 . 0 0 "[ . 1 . 2]" 1
298 1 30 CYS HA 1 30 CYS HB2 2.880 . 3.380 2.327 2.264 2.357 . 0 0 "[ . 1 . 2]" 1
299 1 30 CYS HA 1 32 GLY H 5.150 . 5.650 4.829 4.742 4.970 . 0 0 "[ . 1 . 2]" 1
300 1 30 CYS HA 1 42 LEU MD1 4.140 . 4.640 2.732 2.440 3.390 . 0 0 "[ . 1 . 2]" 1
301 1 30 CYS HA 1 42 LEU MD2 4.800 . 5.300 3.586 3.447 3.748 . 0 0 "[ . 1 . 2]" 1
302 1 30 CYS HA 1 42 LEU HG 5.500 . 6.000 5.129 4.839 5.525 . 0 0 "[ . 1 . 2]" 1
303 1 30 CYS HA 1 45 GLN HB2 4.390 . 4.890 2.817 2.252 4.108 . 0 0 "[ . 1 . 2]" 1
304 1 30 CYS HA 1 45 GLN HB3 4.600 . 5.100 3.899 3.524 4.528 . 0 0 "[ . 1 . 2]" 1
305 1 30 CYS HA 1 45 GLN HG2 4.760 . 5.260 3.105 2.684 4.333 . 0 0 "[ . 1 . 2]" 1
306 1 30 CYS HA 1 45 GLN HG3 3.910 . 4.410 2.493 2.210 2.926 . 0 0 "[ . 1 . 2]" 1
307 1 30 CYS HB2 1 31 GLY H 4.100 . 4.600 3.970 3.898 4.091 . 0 0 "[ . 1 . 2]" 1
308 1 30 CYS HB2 1 32 GLY H 4.990 . 5.490 4.236 4.080 4.454 . 0 0 "[ . 1 . 2]" 1
309 1 30 CYS HB2 1 35 HIS HE1 5.500 . 6.000 5.022 4.877 5.391 . 0 0 "[ . 1 . 2]" 1
310 1 30 CYS HB2 1 42 LEU HB2 5.210 . 5.710 5.222 5.184 5.270 . 0 0 "[ . 1 . 2]" 1
311 1 30 CYS HB2 1 42 LEU HB3 5.380 . 5.880 5.443 5.397 5.503 . 0 0 "[ . 1 . 2]" 1
312 1 30 CYS HB2 1 42 LEU MD1 3.370 . 3.870 2.417 2.255 2.724 . 0 0 "[ . 1 . 2]" 1
313 1 30 CYS HB2 1 42 LEU MD2 4.040 . 4.540 1.962 1.870 2.048 . 0 0 "[ . 1 . 2]" 1
314 1 30 CYS HB2 1 42 LEU HG 4.070 . 4.570 3.669 3.501 3.810 . 0 0 "[ . 1 . 2]" 1
315 1 30 CYS HB2 1 45 GLN HE21 5.350 . 5.850 5.423 5.374 5.542 . 0 0 "[ . 1 . 2]" 1
316 1 30 CYS HB2 1 45 GLN HG2 4.810 . 5.310 4.171 3.809 4.823 . 0 0 "[ . 1 . 2]" 1
317 1 30 CYS HB2 1 45 GLN HG3 4.470 . 4.970 3.394 3.018 3.896 . 0 0 "[ . 1 . 2]" 1
318 1 30 CYS HB3 1 31 GLY H 3.690 . 4.190 3.762 3.737 3.793 . 0 0 "[ . 1 . 2]" 1
319 1 30 CYS HB3 1 32 GLY H 4.630 . 5.130 4.345 4.262 4.468 . 0 0 "[ . 1 . 2]" 1
320 1 30 CYS HB3 1 35 HIS HE1 5.500 . 6.000 5.041 4.937 5.329 . 0 0 "[ . 1 . 2]" 1
321 1 30 CYS HB3 1 42 LEU H 4.920 . 5.420 4.374 4.116 4.723 . 0 0 "[ . 1 . 2]" 1
322 1 30 CYS HB3 1 42 LEU HB2 5.350 . 5.850 5.161 5.094 5.258 . 0 0 "[ . 1 . 2]" 1
323 1 30 CYS HB3 1 42 LEU HB3 5.500 . 6.000 5.457 5.341 5.572 . 0 0 "[ . 1 . 2]" 1
324 1 30 CYS HB3 1 42 LEU MD1 3.400 . 3.900 1.876 1.837 1.905 . 0 0 "[ . 1 . 2]" 1
325 1 30 CYS HB3 1 42 LEU MD2 4.300 . 4.800 2.755 2.627 2.888 . 0 0 "[ . 1 . 2]" 1
326 1 30 CYS HB3 1 42 LEU HG 3.990 . 4.490 3.193 2.955 3.429 . 0 0 "[ . 1 . 2]" 1
327 1 30 CYS HB3 1 45 GLN HE21 5.480 . 5.980 5.294 5.214 5.334 . 0 0 "[ . 1 . 2]" 1
328 1 31 GLY H 1 31 GLY HA2 2.700 . 3.200 2.431 2.411 2.446 . 0 0 "[ . 1 . 2]" 1
329 1 31 GLY H 1 32 GLY H 3.080 . 3.580 2.031 1.977 2.108 . 0 0 "[ . 1 . 2]" 1
330 1 31 GLY H 1 32 GLY HA2 4.680 . 5.180 4.777 4.747 4.817 . 0 0 "[ . 1 . 2]" 1
331 1 31 GLY H 1 32 GLY HA3 4.480 . 4.980 4.352 4.269 4.424 . 0 0 "[ . 1 . 2]" 1
332 1 31 GLY H 1 35 HIS HE1 5.500 . 6.000 5.195 5.031 5.361 . 0 0 "[ . 1 . 2]" 1
333 1 31 GLY H 1 37 ALA HA 5.500 . 6.000 5.525 5.446 5.587 . 0 0 "[ . 1 . 2]" 1
334 1 31 GLY H 1 42 LEU QD 6.440 . 6.940 4.649 4.582 4.786 . 0 0 "[ . 1 . 2]" 1
335 1 31 GLY HA3 1 32 GLY HA3 5.420 . 5.920 5.235 5.207 5.263 . 0 0 "[ . 1 . 2]" 1
336 1 32 GLY H 1 33 LEU H 4.620 . 5.120 4.615 4.579 4.654 . 0 0 "[ . 1 . 2]" 1
337 1 32 GLY H 1 33 LEU HA 5.500 . 6.000 5.339 5.089 5.475 . 0 0 "[ . 1 . 2]" 1
338 1 32 GLY H 1 33 LEU MD2 6.360 . 6.860 4.547 4.478 4.648 . 0 0 "[ . 1 . 2]" 1
339 1 32 GLY H 1 35 HIS HD2 5.310 . 5.810 5.331 5.104 5.390 . 0 0 "[ . 1 . 2]" 1
340 1 32 GLY H 1 35 HIS HE1 4.020 . 4.520 3.542 3.331 3.686 . 0 0 "[ . 1 . 2]" 1
341 1 32 GLY H 1 42 LEU QD 7.090 . 7.590 4.995 4.891 5.121 . 0 0 "[ . 1 . 2]" 1
342 1 32 GLY HA2 1 33 LEU H 2.690 . 3.190 2.463 2.376 2.537 . 0 0 "[ . 1 . 2]" 1
343 1 32 GLY HA2 1 33 LEU HB2 5.500 . 6.000 5.544 5.500 5.581 . 0 0 "[ . 1 . 2]" 1
344 1 32 GLY HA2 1 33 LEU HB3 5.150 . 5.650 4.897 4.794 4.971 . 0 0 "[ . 1 . 2]" 1
345 1 32 GLY HA2 1 33 LEU MD1 6.060 . 6.560 4.881 4.787 4.949 . 0 0 "[ . 1 . 2]" 1
346 1 32 GLY HA2 1 33 LEU MD2 4.770 . 5.270 2.378 2.266 2.508 . 0 0 "[ . 1 . 2]" 1
347 1 32 GLY HA2 1 33 LEU HG 4.160 . 4.660 3.859 3.769 3.954 . 0 0 "[ . 1 . 2]" 1
348 1 32 GLY HA2 1 34 ASP H 5.070 . 5.570 4.182 4.082 4.397 . 0 0 "[ . 1 . 2]" 1
349 1 32 GLY HA2 1 35 HIS HE1 3.770 . 4.270 3.851 3.808 3.883 . 0 0 "[ . 1 . 2]" 1
350 1 32 GLY HA3 1 33 LEU H 2.820 . 3.320 2.756 2.716 2.835 . 0 0 "[ . 1 . 2]" 1
351 1 32 GLY HA3 1 33 LEU MD2 5.020 . 5.520 3.669 3.563 3.752 . 0 0 "[ . 1 . 2]" 1
352 1 32 GLY HA3 1 33 LEU HG 4.920 . 5.420 4.633 4.565 4.707 . 0 0 "[ . 1 . 2]" 1
353 1 32 GLY HA3 1 35 HIS HE1 3.030 . 3.530 2.195 2.123 2.314 . 0 0 "[ . 1 . 2]" 1
354 1 33 LEU H 1 33 LEU HB2 3.520 . 4.020 3.493 3.452 3.523 . 0 0 "[ . 1 . 2]" 1
355 1 33 LEU H 1 33 LEU HB3 3.610 . 4.110 3.541 3.486 3.575 . 0 0 "[ . 1 . 2]" 1
356 1 33 LEU H 1 33 LEU MD1 4.620 . 5.120 3.693 3.609 3.732 . 0 0 "[ . 1 . 2]" 1
357 1 33 LEU H 1 33 LEU MD2 3.830 . 4.330 2.284 2.191 2.366 . 0 0 "[ . 1 . 2]" 1
358 1 33 LEU H 1 33 LEU HG 2.930 . 3.430 1.989 1.908 2.041 . 0 0 "[ . 1 . 2]" 1
359 1 33 LEU H 1 34 ASP H 3.910 . 4.410 1.928 1.857 2.029 . 0 0 "[ . 1 . 2]" 1
360 1 33 LEU H 1 34 ASP HA 4.730 . 5.230 4.648 4.598 4.732 . 0 0 "[ . 1 . 2]" 1
361 1 33 LEU H 1 34 ASP QB 5.060 . 5.560 3.617 3.550 3.711 . 0 0 "[ . 1 . 2]" 1
362 1 33 LEU H 1 35 HIS H 4.450 . 4.950 3.748 3.516 3.878 . 0 0 "[ . 1 . 2]" 1
363 1 33 LEU H 1 35 HIS HE1 4.560 . 5.060 4.321 4.162 4.545 . 0 0 "[ . 1 . 2]" 1
364 1 33 LEU HA 1 33 LEU MD2 3.640 . 4.140 3.125 3.096 3.153 . 0 0 "[ . 1 . 2]" 1
365 1 33 LEU HB2 1 33 LEU MD1 3.050 . 3.550 2.216 2.199 2.230 . 0 0 "[ . 1 . 2]" 1
366 1 33 LEU HB2 1 34 ASP H 4.450 . 4.950 3.588 3.475 3.728 . 0 0 "[ . 1 . 2]" 1
367 1 33 LEU HB2 1 34 ASP HA 4.860 . 5.360 4.067 3.996 4.141 . 0 0 "[ . 1 . 2]" 1
368 1 33 LEU HB2 1 34 ASP HB2 5.500 . 6.000 4.723 4.496 4.845 . 0 0 "[ . 1 . 2]" 1
369 1 33 LEU HB2 1 34 ASP HB3 5.500 . 6.000 5.531 5.492 5.576 . 0 0 "[ . 1 . 2]" 1
370 1 33 LEU HB3 1 34 ASP H 4.400 . 4.900 4.399 4.335 4.455 . 0 0 "[ . 1 . 2]" 1
371 1 33 LEU HB3 1 34 ASP HA 5.500 . 6.000 5.547 5.525 5.577 . 0 0 "[ . 1 . 2]" 1
372 1 33 LEU MD1 1 34 ASP H 5.140 . 5.640 4.168 4.050 4.326 . 0 0 "[ . 1 . 2]" 1
373 1 33 LEU MD1 1 34 ASP HB2 6.610 . 7.110 4.522 4.333 4.675 . 0 0 "[ . 1 . 2]" 1
374 1 33 LEU MD1 1 34 ASP HB3 6.610 . 7.110 5.486 5.397 5.544 . 0 0 "[ . 1 . 2]" 1
375 1 33 LEU MD2 1 34 ASP H 4.590 . 5.090 3.845 3.797 3.882 . 0 0 "[ . 1 . 2]" 1
376 1 33 LEU MD2 1 34 ASP HB2 6.610 . 7.110 5.360 5.195 5.511 . 0 0 "[ . 1 . 2]" 1
377 1 33 LEU MD2 1 34 ASP HB3 6.610 . 7.110 5.553 5.512 5.574 . 0 0 "[ . 1 . 2]" 1
378 1 33 LEU MD2 1 35 HIS H 6.390 . 6.890 5.220 5.099 5.282 . 0 0 "[ . 1 . 2]" 1
379 1 33 LEU HG 1 34 ASP H 4.800 . 5.300 2.786 2.643 2.938 . 0 0 "[ . 1 . 2]" 1
380 1 33 LEU HG 1 34 ASP HB2 4.840 . 5.340 3.983 3.782 4.167 . 0 0 "[ . 1 . 2]" 1
381 1 33 LEU HG 1 35 HIS H 5.500 . 6.000 5.081 4.962 5.162 . 0 0 "[ . 1 . 2]" 1
382 1 34 ASP H 1 35 HIS H 3.990 . 4.490 2.631 2.459 2.706 . 0 0 "[ . 1 . 2]" 1
383 1 34 ASP QB 1 35 HIS H 4.850 . 5.350 3.436 3.356 3.530 . 0 0 "[ . 1 . 2]" 1
384 1 34 ASP HB2 1 35 HIS H 5.000 . 5.500 4.421 4.368 4.459 . 0 0 "[ . 1 . 2]" 1
385 1 34 ASP HB3 1 35 HIS H 5.000 . 5.500 3.582 3.481 3.709 . 0 0 "[ . 1 . 2]" 1
386 1 35 HIS H 1 36 HIS H 4.720 . 5.220 4.358 4.330 4.388 . 0 0 "[ . 1 . 2]" 1
387 1 35 HIS HB2 1 36 HIS H 3.900 . 4.400 2.036 1.953 2.152 . 0 0 "[ . 1 . 2]" 1
388 1 35 HIS HB2 1 39 GLU QB 4.220 . 4.720 2.017 1.939 2.115 . 0 0 "[ . 1 . 2]" 1
389 1 35 HIS HB2 1 39 GLU HG2 5.120 . 5.620 4.853 4.655 5.115 . 0 0 "[ . 1 . 2]" 1
390 1 35 HIS HB2 1 39 GLU HG3 4.820 . 5.320 3.991 3.912 4.127 . 0 0 "[ . 1 . 2]" 1
391 1 35 HIS HB3 1 35 HIS HD2 3.950 . 4.450 3.799 3.762 3.831 . 0 0 "[ . 1 . 2]" 1
392 1 35 HIS HB3 1 35 HIS HE1 4.990 . 5.490 4.912 4.892 4.944 . 0 0 "[ . 1 . 2]" 1
393 1 35 HIS HB3 1 36 HIS H 3.880 . 4.380 3.570 3.504 3.655 . 0 0 "[ . 1 . 2]" 1
394 1 35 HIS HB3 1 39 GLU QB 4.420 . 4.920 3.444 3.377 3.554 . 0 0 "[ . 1 . 2]" 1
395 1 35 HIS HB3 1 39 GLU HG3 5.500 . 6.000 5.564 5.533 5.599 . 0 0 "[ . 1 . 2]" 1
396 1 35 HIS HD2 1 36 HIS H 4.980 . 5.480 2.905 2.799 2.997 . 0 0 "[ . 1 . 2]" 1
397 1 35 HIS HD2 1 36 HIS HA 5.500 . 6.000 3.808 3.631 3.968 . 0 0 "[ . 1 . 2]" 1
398 1 35 HIS HD2 1 37 ALA HA 4.310 . 4.810 3.991 3.854 4.056 . 0 0 "[ . 1 . 2]" 1
399 1 35 HIS HD2 1 37 ALA MB 6.390 . 6.890 5.220 5.114 5.288 . 0 0 "[ . 1 . 2]" 1
400 1 35 HIS HD2 1 38 LYS H 5.500 . 6.000 5.248 4.947 5.424 . 0 0 "[ . 1 . 2]" 1
401 1 35 HIS HD2 1 39 GLU H 4.260 . 4.760 3.795 3.673 3.870 . 0 0 "[ . 1 . 2]" 1
402 1 35 HIS HD2 1 39 GLU QB 4.040 . 4.540 3.135 2.837 3.598 . 0 0 "[ . 1 . 2]" 1
403 1 35 HIS HD2 1 39 GLU HG3 5.260 . 5.760 4.899 4.703 5.270 . 0 0 "[ . 1 . 2]" 1
404 1 35 HIS HD2 1 40 CYS H 3.540 . 4.040 3.249 3.104 3.306 . 0 0 "[ . 1 . 2]" 1
405 1 35 HIS HD2 1 40 CYS HA 2.990 . 3.490 2.666 2.326 2.898 . 0 0 "[ . 1 . 2]" 1
406 1 35 HIS HD2 1 40 CYS HB2 3.820 . 4.320 3.061 2.907 3.204 . 0 0 "[ . 1 . 2]" 1
407 1 35 HIS HD2 1 40 CYS HB3 4.870 . 5.370 4.558 4.371 4.700 . 0 0 "[ . 1 . 2]" 1
408 1 35 HIS HE1 1 40 CYS HA 5.440 . 5.940 4.876 4.542 5.099 . 0 0 "[ . 1 . 2]" 1
409 1 35 HIS HE1 1 41 LYS QD 6.170 . 6.670 5.073 4.257 5.537 . 0 0 "[ . 1 . 2]" 1
410 1 35 HIS HE1 1 42 LEU QD 6.660 . 7.160 4.922 4.677 4.972 . 0 0 "[ . 1 . 2]" 1
411 1 36 HIS H 1 37 ALA H 5.330 . 5.830 4.462 4.441 4.492 . 0 0 "[ . 1 . 2]" 1
412 1 36 HIS H 1 38 LYS H 4.820 . 5.320 4.509 4.189 4.756 . 0 0 "[ . 1 . 2]" 1
413 1 36 HIS H 1 39 GLU QB 4.950 . 5.450 2.141 1.921 2.315 . 0 0 "[ . 1 . 2]" 1
414 1 36 HIS H 1 39 GLU HG2 5.240 . 5.740 4.301 4.100 4.665 . 0 0 "[ . 1 . 2]" 1
415 1 36 HIS H 1 39 GLU HG3 5.310 . 5.810 2.831 2.637 3.148 . 0 0 "[ . 1 . 2]" 1
416 1 36 HIS HA 1 36 HIS HD2 4.040 . 4.540 2.310 2.203 2.478 . 0 0 "[ . 1 . 2]" 1
417 1 36 HIS HA 1 37 ALA HA 4.440 . 4.940 4.251 4.217 4.288 . 0 0 "[ . 1 . 2]" 1
418 1 36 HIS HA 1 40 CYS H 5.500 . 6.000 5.448 5.321 5.518 . 0 0 "[ . 1 . 2]" 1
419 1 36 HIS QB 1 37 ALA H 3.880 . 4.380 2.252 2.180 2.345 . 0 0 "[ . 1 . 2]" 1
420 1 36 HIS QB 1 38 LYS H 3.940 . 4.440 2.757 2.612 2.920 . 0 0 "[ . 1 . 2]" 1
421 1 36 HIS QB 1 38 LYS QD 5.480 . 5.980 3.197 2.027 3.398 . 0 0 "[ . 1 . 2]" 1
422 1 36 HIS QB 1 38 LYS QG 5.180 . 5.680 2.379 2.146 3.572 . 0 0 "[ . 1 . 2]" 1
423 1 36 HIS QB 1 39 GLU H 5.030 . 5.530 3.296 3.033 3.412 . 0 0 "[ . 1 . 2]" 1
424 1 36 HIS QB 1 39 GLU HG2 5.600 . 6.100 4.196 3.900 4.571 . 0 0 "[ . 1 . 2]" 1
425 1 36 HIS QB 1 39 GLU HG3 5.220 . 5.720 2.562 2.266 2.935 . 0 0 "[ . 1 . 2]" 1
426 1 36 HIS QB 2 5 G H8 6.730 . 7.230 4.118 3.820 4.445 . 0 0 "[ . 1 . 2]" 1
427 1 36 HIS HB2 1 37 ALA H 4.040 . 4.540 3.573 3.474 3.632 . 0 0 "[ . 1 . 2]" 1
428 1 36 HIS HB2 1 38 LYS H 4.120 . 4.620 3.268 3.055 3.501 . 0 0 "[ . 1 . 2]" 1
429 1 36 HIS HB2 1 39 GLU HG3 5.500 . 6.000 2.588 2.283 2.972 . 0 0 "[ . 1 . 2]" 1
430 1 36 HIS HB3 1 37 ALA H 4.040 . 4.540 2.277 2.199 2.376 . 0 0 "[ . 1 . 2]" 1
431 1 36 HIS HB3 1 38 LYS H 4.120 . 4.620 2.977 2.763 3.127 . 0 0 "[ . 1 . 2]" 1
432 1 36 HIS HB3 1 39 GLU HG3 5.500 . 6.000 4.119 3.788 4.579 . 0 0 "[ . 1 . 2]" 1
433 1 36 HIS HD2 1 37 ALA H 5.030 . 5.530 3.898 3.631 4.239 . 0 0 "[ . 1 . 2]" 1
434 1 36 HIS HD2 1 38 LYS QE 6.170 . 6.670 5.477 5.195 5.542 . 0 0 "[ . 1 . 2]" 1
435 1 37 ALA H 1 38 LYS H 3.570 . 4.070 2.794 2.738 2.955 . 0 0 "[ . 1 . 2]" 1
436 1 37 ALA H 1 38 LYS HB3 5.500 . 6.000 5.171 5.027 5.446 . 0 0 "[ . 1 . 2]" 1
437 1 37 ALA H 1 38 LYS QD 6.060 . 6.560 5.339 3.395 5.481 . 0 0 "[ . 1 . 2]" 1
438 1 37 ALA H 1 39 GLU H 4.890 . 5.390 4.125 4.074 4.237 . 0 0 "[ . 1 . 2]" 1
439 1 37 ALA H 1 40 CYS H 5.150 . 5.650 4.914 4.850 5.036 . 0 0 "[ . 1 . 2]" 1
440 1 37 ALA H 1 40 CYS HB2 5.500 . 6.000 4.672 4.597 4.823 . 0 0 "[ . 1 . 2]" 1
441 1 37 ALA HA 1 39 GLU H 4.610 . 5.110 3.888 3.757 3.996 . 0 0 "[ . 1 . 2]" 1
442 1 37 ALA HA 1 40 CYS H 3.930 . 4.430 3.314 3.184 3.427 . 0 0 "[ . 1 . 2]" 1
443 1 37 ALA HA 1 40 CYS HA 4.690 . 5.190 4.700 4.535 4.734 . 0 0 "[ . 1 . 2]" 1
444 1 37 ALA HA 1 40 CYS HB2 3.590 . 4.090 2.242 2.159 2.382 . 0 0 "[ . 1 . 2]" 1
445 1 37 ALA HA 1 40 CYS HB3 4.130 . 4.630 3.537 3.372 3.823 . 0 0 "[ . 1 . 2]" 1
446 1 37 ALA MB 1 38 LYS H 4.050 . 4.550 2.825 2.650 3.021 . 0 0 "[ . 1 . 2]" 1
447 1 37 ALA MB 1 38 LYS HA 5.310 . 5.810 3.986 3.913 4.046 . 0 0 "[ . 1 . 2]" 1
448 1 37 ALA MB 1 38 LYS QE 6.300 . 6.800 3.599 3.291 3.956 . 0 0 "[ . 1 . 2]" 1
449 1 37 ALA MB 1 39 GLU H 5.420 . 5.920 4.365 4.265 4.484 . 0 0 "[ . 1 . 2]" 1
450 1 37 ALA MB 1 40 CYS H 5.480 . 5.980 4.472 4.357 4.598 . 0 0 "[ . 1 . 2]" 1
451 1 37 ALA MB 1 40 CYS HB2 5.380 . 5.880 3.891 3.829 3.983 . 0 0 "[ . 1 . 2]" 1
452 1 37 ALA MB 1 40 CYS HB3 6.140 . 6.640 4.588 4.425 4.853 . 0 0 "[ . 1 . 2]" 1
453 1 37 ALA MB 2 4 A H1' 4.800 . 5.300 3.745 3.246 4.042 . 0 0 "[ . 1 . 2]" 1
454 1 37 ALA MB 2 4 A H2 3.840 . 4.340 2.794 2.194 3.096 . 0 0 "[ . 1 . 2]" 1
455 1 38 LYS H 1 38 LYS HB2 3.640 . 4.140 3.579 3.545 3.637 . 0 0 "[ . 1 . 2]" 1
456 1 38 LYS H 1 38 LYS HB3 2.910 . 3.410 2.673 2.569 2.785 . 0 0 "[ . 1 . 2]" 1
457 1 38 LYS H 1 38 LYS QD 4.780 . 5.280 3.653 1.592 3.813 0.208 13 0 "[ . 1 . 2]" 1
458 1 38 LYS H 1 38 LYS QE 4.430 . 4.930 2.758 2.443 2.954 . 0 0 "[ . 1 . 2]" 1
459 1 38 LYS H 1 38 LYS QG 3.310 . 3.810 1.829 1.721 2.986 0.079 19 0 "[ . 1 . 2]" 1
460 1 38 LYS H 1 39 GLU H 3.420 . 3.920 2.387 2.219 2.525 . 0 0 "[ . 1 . 2]" 1
461 1 38 LYS H 1 39 GLU HA 5.490 . 5.990 5.118 4.978 5.230 . 0 0 "[ . 1 . 2]" 1
462 1 38 LYS H 1 40 CYS H 3.990 . 4.490 3.813 3.640 3.911 . 0 0 "[ . 1 . 2]" 1
463 1 38 LYS H 1 40 CYS HB2 4.900 . 5.400 4.730 4.566 4.855 . 0 0 "[ . 1 . 2]" 1
464 1 38 LYS HA 1 38 LYS HB3 2.950 . 3.450 2.428 2.396 2.473 . 0 0 "[ . 1 . 2]" 1
465 1 38 LYS HA 1 38 LYS QE 4.660 . 5.160 3.974 3.870 4.163 . 0 0 "[ . 1 . 2]" 1
466 1 38 LYS HA 1 39 GLU HA 4.780 . 5.280 4.605 4.518 4.675 . 0 0 "[ . 1 . 2]" 1
467 1 38 LYS HA 1 40 CYS H 3.890 . 4.390 3.903 3.806 3.934 . 0 0 "[ . 1 . 2]" 1
468 1 38 LYS HA 1 40 CYS HB2 5.500 . 6.000 5.219 5.075 5.359 . 0 0 "[ . 1 . 2]" 1
469 1 38 LYS HA 2 4 A H2 4.000 . 4.500 2.497 2.141 3.106 . 0 0 "[ . 1 . 2]" 1
470 1 38 LYS QB 2 4 A H2 4.490 . 4.990 2.727 2.150 3.673 . 0 0 "[ . 1 . 2]" 1
471 1 38 LYS HB2 1 38 LYS QE 4.640 . 5.140 3.219 3.117 3.555 . 0 0 "[ . 1 . 2]" 1
472 1 38 LYS HB2 1 39 GLU H 3.960 . 4.460 4.077 4.009 4.124 . 0 0 "[ . 1 . 2]" 1
473 1 38 LYS HB2 1 40 CYS H 5.500 . 6.000 5.473 5.373 5.524 . 0 0 "[ . 1 . 2]" 1
474 1 38 LYS HB3 1 38 LYS QE 4.550 . 5.050 1.842 1.781 2.008 0.019 7 0 "[ . 1 . 2]" 1
475 1 38 LYS HB3 1 39 GLU H 4.440 . 4.940 4.198 4.125 4.273 . 0 0 "[ . 1 . 2]" 1
476 1 38 LYS QD 1 39 GLU H 5.430 . 5.930 4.507 2.744 4.772 . 0 0 "[ . 1 . 2]" 1
477 1 38 LYS QD 1 39 GLU HG3 4.860 . 5.360 3.621 2.575 3.916 . 0 0 "[ . 1 . 2]" 1
478 1 38 LYS QD 2 5 G H8 4.490 . 4.990 3.932 3.596 4.056 . 0 0 "[ . 1 . 2]" 1
479 1 38 LYS QE 1 39 GLU H 4.920 . 5.420 4.493 4.385 4.547 . 0 0 "[ . 1 . 2]" 1
480 1 38 LYS QE 1 39 GLU HG2 6.170 . 6.670 5.418 5.218 5.523 . 0 0 "[ . 1 . 2]" 1
481 1 38 LYS QE 1 39 GLU HG3 6.170 . 6.670 4.494 4.371 4.661 . 0 0 "[ . 1 . 2]" 1
482 1 38 LYS QE 2 4 A H2' 5.610 . 6.110 4.860 4.266 5.080 . 0 0 "[ . 1 . 2]" 1
483 1 38 LYS QE 2 5 G H8 4.490 . 4.990 2.778 2.136 3.109 . 0 0 "[ . 1 . 2]" 1
484 1 38 LYS QG 1 39 GLU H 4.000 . 4.500 2.566 2.391 2.811 . 0 0 "[ . 1 . 2]" 1
485 1 38 LYS QG 1 39 GLU HA 5.400 . 5.900 3.894 3.661 4.108 . 0 0 "[ . 1 . 2]" 1
486 1 38 LYS QG 1 39 GLU QB 5.470 . 5.970 3.761 3.599 3.936 . 0 0 "[ . 1 . 2]" 1
487 1 38 LYS QG 1 39 GLU HG2 4.780 . 5.280 2.532 2.276 2.668 . 0 0 "[ . 1 . 2]" 1
488 1 38 LYS QG 1 39 GLU HG3 4.220 . 4.720 2.210 2.058 2.368 . 0 0 "[ . 1 . 2]" 1
489 1 38 LYS QG 1 40 CYS H 5.240 . 5.740 4.384 4.243 4.669 . 0 0 "[ . 1 . 2]" 1
490 1 38 LYS QG 2 4 A H1' 6.730 . 7.230 4.805 4.444 5.280 . 0 0 "[ . 1 . 2]" 1
491 1 38 LYS QG 2 4 A H2 6.170 . 6.670 4.366 3.829 5.306 . 0 0 "[ . 1 . 2]" 1
492 1 39 GLU H 1 39 GLU QB 3.490 . 3.990 2.637 2.524 2.790 . 0 0 "[ . 1 . 2]" 1
493 1 39 GLU H 1 39 GLU HG2 3.620 . 4.120 3.335 3.248 3.442 . 0 0 "[ . 1 . 2]" 1
494 1 39 GLU H 1 39 GLU HG3 3.300 . 3.800 2.436 2.265 2.764 . 0 0 "[ . 1 . 2]" 1
495 1 39 GLU H 1 40 CYS H 2.930 . 3.430 2.146 2.057 2.230 . 0 0 "[ . 1 . 2]" 1
496 1 39 GLU H 1 40 CYS HA 4.980 . 5.480 4.547 4.437 4.645 . 0 0 "[ . 1 . 2]" 1
497 1 39 GLU H 1 40 CYS HB2 4.410 . 4.910 3.862 3.764 3.941 . 0 0 "[ . 1 . 2]" 1
498 1 39 GLU H 1 40 CYS HB3 5.470 . 5.970 4.851 4.702 4.962 . 0 0 "[ . 1 . 2]" 1
499 1 39 GLU HA 1 39 GLU HG2 3.410 . 3.910 2.624 2.523 2.723 . 0 0 "[ . 1 . 2]" 1
500 1 39 GLU HA 1 39 GLU HG3 3.820 . 4.320 3.418 3.339 3.512 . 0 0 "[ . 1 . 2]" 1
501 1 39 GLU HA 1 40 CYS H 3.350 . 3.850 3.325 3.243 3.377 . 0 0 "[ . 1 . 2]" 1
502 1 39 GLU HA 1 40 CYS HA 4.830 . 5.330 4.862 4.827 4.891 . 0 0 "[ . 1 . 2]" 1
503 1 39 GLU QB 1 40 CYS H 4.220 . 4.720 3.358 3.221 3.592 . 0 0 "[ . 1 . 2]" 1
504 1 39 GLU QB 1 40 CYS HA 5.200 . 5.700 4.035 3.923 4.263 . 0 0 "[ . 1 . 2]" 1
505 1 39 GLU QB 1 40 CYS HB2 5.870 . 6.370 4.784 4.569 5.145 . 0 0 "[ . 1 . 2]" 1
506 1 39 GLU HG2 1 40 CYS H 4.860 . 5.360 4.915 4.814 4.961 . 0 0 "[ . 1 . 2]" 1
507 1 39 GLU HG3 1 40 CYS H 5.280 . 5.780 4.367 4.231 4.603 . 0 0 "[ . 1 . 2]" 1
508 1 40 CYS H 1 40 CYS HB2 2.760 . 3.260 2.183 2.141 2.228 . 0 0 "[ . 1 . 2]" 1
509 1 40 CYS H 1 40 CYS HB3 2.990 . 3.490 2.816 2.744 2.871 . 0 0 "[ . 1 . 2]" 1
510 1 40 CYS H 1 41 LYS H 4.640 . 5.140 4.647 4.627 4.667 . 0 0 "[ . 1 . 2]" 1
511 1 40 CYS H 1 41 LYS HA 5.500 . 6.000 5.571 5.521 5.602 . 0 0 "[ . 1 . 2]" 1
512 1 40 CYS HA 1 41 LYS H 2.550 . 3.050 2.432 2.356 2.453 . 0 0 "[ . 1 . 2]" 1
513 1 40 CYS HA 1 41 LYS HA 4.600 . 5.100 4.408 4.332 4.449 . 0 0 "[ . 1 . 2]" 1
514 1 40 CYS HA 1 41 LYS QB 5.500 . 6.000 4.266 4.190 4.355 . 0 0 "[ . 1 . 2]" 1
515 1 40 CYS HA 1 41 LYS QD 4.770 . 5.270 4.188 3.944 4.288 . 0 0 "[ . 1 . 2]" 1
516 1 40 CYS HA 1 41 LYS HG2 5.070 . 5.570 4.817 4.651 5.008 . 0 0 "[ . 1 . 2]" 1
517 1 40 CYS HA 1 41 LYS HG3 4.350 . 4.850 3.096 2.899 3.275 . 0 0 "[ . 1 . 2]" 1
518 1 40 CYS HA 1 42 LEU H 4.040 . 4.540 4.117 4.081 4.142 . 0 0 "[ . 1 . 2]" 1
519 1 40 CYS HA 1 42 LEU QD 6.420 . 6.920 4.604 4.444 4.766 . 0 0 "[ . 1 . 2]" 1
520 1 40 CYS HB2 1 41 LYS H 4.080 . 4.580 3.974 3.928 4.056 . 0 0 "[ . 1 . 2]" 1
521 1 40 CYS HB2 1 42 LEU H 4.710 . 5.210 4.713 4.597 4.754 . 0 0 "[ . 1 . 2]" 1
522 1 40 CYS HB3 1 41 LYS H 3.740 . 4.240 3.281 3.210 3.539 . 0 0 "[ . 1 . 2]" 1
523 1 40 CYS HB3 1 42 LEU H 3.860 . 4.360 3.452 3.262 3.556 . 0 0 "[ . 1 . 2]" 1
524 1 40 CYS HB3 1 42 LEU QD 5.800 . 6.300 3.626 3.205 3.984 . 0 0 "[ . 1 . 2]" 1
525 1 40 CYS HB3 1 42 LEU HG 5.160 . 5.660 4.594 4.289 4.874 . 0 0 "[ . 1 . 2]" 1
526 1 41 LYS H 1 41 LYS QB 3.660 . 4.160 3.171 3.032 3.237 . 0 0 "[ . 1 . 2]" 1
527 1 41 LYS H 1 41 LYS QD 3.140 . 3.640 2.261 2.043 2.437 . 0 0 "[ . 1 . 2]" 1
528 1 41 LYS H 1 41 LYS QE 5.150 . 5.650 3.728 2.773 4.153 . 0 0 "[ . 1 . 2]" 1
529 1 41 LYS H 1 41 LYS HG2 3.750 . 4.250 3.745 3.532 3.796 . 0 0 "[ . 1 . 2]" 1
530 1 41 LYS H 1 41 LYS HG3 3.200 . 3.700 2.202 1.947 2.329 . 0 0 "[ . 1 . 2]" 1
531 1 41 LYS H 1 42 LEU H 2.750 . 3.250 1.967 1.897 2.256 . 0 0 "[ . 1 . 2]" 1
532 1 41 LYS H 1 42 LEU MD1 4.830 . 5.330 3.701 3.438 3.996 . 0 0 "[ . 1 . 2]" 1
533 1 41 LYS H 1 42 LEU QD 5.070 . 5.570 3.477 3.311 3.634 . 0 0 "[ . 1 . 2]" 1
534 1 41 LYS H 1 42 LEU MD2 5.360 . 5.860 4.261 4.038 4.426 . 0 0 "[ . 1 . 2]" 1
535 1 41 LYS H 1 42 LEU HG 4.450 . 4.950 2.788 2.669 2.925 . 0 0 "[ . 1 . 2]" 1
536 1 41 LYS HA 1 41 LYS QD 4.160 . 4.660 3.696 3.551 3.751 . 0 0 "[ . 1 . 2]" 1
537 1 41 LYS HA 1 41 LYS QE 5.470 . 5.970 4.236 3.860 5.051 . 0 0 "[ . 1 . 2]" 1
538 1 41 LYS HA 1 41 LYS HG3 3.480 . 3.980 3.584 3.492 3.614 . 0 0 "[ . 1 . 2]" 1
539 1 41 LYS HA 1 42 LEU H 3.500 . 4.000 3.220 3.154 3.277 . 0 0 "[ . 1 . 2]" 1
540 1 41 LYS HA 1 42 LEU MD1 6.610 . 7.110 5.273 5.050 5.536 . 0 0 "[ . 1 . 2]" 1
541 1 41 LYS HA 1 42 LEU HG 5.410 . 5.910 4.953 4.840 5.044 . 0 0 "[ . 1 . 2]" 1
542 1 41 LYS QB 1 42 LEU H 4.210 . 4.710 3.870 3.847 3.893 . 0 0 "[ . 1 . 2]" 1
543 1 41 LYS QD 1 42 LEU H 5.130 . 5.630 2.548 2.387 2.665 . 0 0 "[ . 1 . 2]" 1
544 1 41 LYS QD 1 42 LEU MD2 5.630 . 6.130 2.961 2.709 3.172 . 0 0 "[ . 1 . 2]" 1
545 1 41 LYS QD 1 42 LEU HG 3.170 . 3.670 2.273 2.110 2.546 . 0 0 "[ . 1 . 2]" 1
546 1 41 LYS QE 1 42 LEU MD1 7.020 . 7.520 4.646 3.796 5.124 . 0 0 "[ . 1 . 2]" 1
547 1 41 LYS HG3 1 42 LEU H 3.900 . 4.400 3.882 3.808 4.008 . 0 0 "[ . 1 . 2]" 1
548 1 42 LEU H 1 42 LEU HB2 3.710 . 4.210 3.724 3.683 3.753 . 0 0 "[ . 1 . 2]" 1
549 1 42 LEU H 1 42 LEU HB3 3.510 . 4.010 3.343 3.297 3.382 . 0 0 "[ . 1 . 2]" 1
550 1 42 LEU H 1 42 LEU MD1 3.670 . 4.170 2.495 2.248 2.822 . 0 0 "[ . 1 . 2]" 1
551 1 42 LEU H 1 42 LEU QD 3.940 . 4.440 2.457 2.231 2.734 . 0 0 "[ . 1 . 2]" 1
552 1 42 LEU H 1 42 LEU MD2 4.500 . 5.000 3.748 3.667 3.798 . 0 0 "[ . 1 . 2]" 1
553 1 42 LEU H 1 42 LEU HG 2.490 . 2.990 2.042 1.964 2.111 . 0 0 "[ . 1 . 2]" 1
554 1 42 LEU H 1 43 PRO HD2 4.740 . 5.240 4.788 4.765 4.824 . 0 0 "[ . 1 . 2]" 1
555 1 42 LEU H 1 43 PRO HD3 5.190 . 5.690 5.144 5.086 5.204 . 0 0 "[ . 1 . 2]" 1
556 1 42 LEU HA 1 42 LEU HG 4.010 . 4.510 3.664 3.631 3.690 . 0 0 "[ . 1 . 2]" 1
557 1 42 LEU HA 1 43 PRO HD2 3.220 . 3.720 2.657 2.601 2.713 . 0 0 "[ . 1 . 2]" 1
558 1 42 LEU HA 1 43 PRO HD3 3.100 . 3.600 2.492 2.418 2.580 . 0 0 "[ . 1 . 2]" 1
559 1 42 LEU HA 1 43 PRO HG2 4.870 . 5.370 4.755 4.705 4.788 . 0 0 "[ . 1 . 2]" 1
560 1 42 LEU HA 1 43 PRO QG 4.790 . 5.290 4.236 4.197 4.276 . 0 0 "[ . 1 . 2]" 1
561 1 42 LEU HA 1 43 PRO HG3 4.870 . 5.370 4.754 4.699 4.814 . 0 0 "[ . 1 . 2]" 1
562 1 42 LEU HB2 1 42 LEU MD1 3.180 . 3.680 2.129 2.064 2.199 . 0 0 "[ . 1 . 2]" 1
563 1 42 LEU HB2 1 42 LEU MD2 3.280 . 3.780 2.375 2.320 2.422 . 0 0 "[ . 1 . 2]" 1
564 1 42 LEU HB2 1 43 PRO HD2 3.580 . 4.080 1.797 1.783 1.810 0.017 9 0 "[ . 1 . 2]" 1
565 1 42 LEU HB2 1 43 PRO HD3 3.550 . 4.050 3.276 3.206 3.323 . 0 0 "[ . 1 . 2]" 1
566 1 42 LEU HB2 1 45 GLN HE21 3.800 . 4.300 2.747 2.569 2.922 . 0 0 "[ . 1 . 2]" 1
567 1 42 LEU HB2 1 45 GLN HE22 4.400 . 4.900 3.341 3.286 3.437 . 0 0 "[ . 1 . 2]" 1
568 1 42 LEU HB3 1 42 LEU MD2 3.240 . 3.740 2.251 2.182 2.315 . 0 0 "[ . 1 . 2]" 1
569 1 42 LEU HB3 1 43 PRO HD2 3.440 . 3.940 3.008 2.936 3.116 . 0 0 "[ . 1 . 2]" 1
570 1 42 LEU HB3 1 43 PRO HD3 3.850 . 4.350 3.964 3.939 3.986 . 0 0 "[ . 1 . 2]" 1
571 1 42 LEU HB3 1 45 GLN HE21 4.610 . 5.110 4.465 4.290 4.625 . 0 0 "[ . 1 . 2]" 1
572 1 42 LEU HB3 1 45 GLN HE22 4.830 . 5.330 4.955 4.905 5.047 . 0 0 "[ . 1 . 2]" 1
573 1 42 LEU QD 1 45 GLN HE21 5.110 . 5.610 1.833 1.735 1.968 0.065 18 0 "[ . 1 . 2]" 1
574 1 42 LEU QD 1 45 GLN HE22 5.810 . 6.310 3.045 2.941 3.190 . 0 0 "[ . 1 . 2]" 1
575 1 42 LEU QD 1 45 GLN HG2 5.860 . 6.360 1.969 1.903 2.119 . 0 0 "[ . 1 . 2]" 1
576 1 42 LEU QD 1 45 GLN HG3 5.660 . 6.160 2.415 2.299 2.573 . 0 0 "[ . 1 . 2]" 1
577 1 42 LEU MD1 1 43 PRO HD2 3.950 . 4.450 3.173 3.033 3.301 . 0 0 "[ . 1 . 2]" 1
578 1 42 LEU MD1 1 43 PRO HD3 5.320 . 5.820 4.300 4.211 4.407 . 0 0 "[ . 1 . 2]" 1
579 1 42 LEU MD1 1 45 GLN HB2 5.070 . 5.570 3.764 3.616 3.995 . 0 0 "[ . 1 . 2]" 1
580 1 42 LEU MD1 1 45 GLN HE21 4.380 . 4.880 1.841 1.741 1.981 0.059 17 0 "[ . 1 . 2]" 1
581 1 42 LEU MD1 1 45 GLN HE22 4.590 . 5.090 3.219 3.035 3.470 . 0 0 "[ . 1 . 2]" 1
582 1 42 LEU MD1 1 45 GLN HG3 4.430 . 4.930 2.548 2.453 2.680 . 0 0 "[ . 1 . 2]" 1
583 1 42 LEU MD2 1 43 PRO HD2 4.600 . 5.100 3.802 3.714 3.873 . 0 0 "[ . 1 . 2]" 1
584 1 42 LEU MD2 1 45 GLN HB2 6.610 . 7.110 4.974 4.593 5.380 . 0 0 "[ . 1 . 2]" 1
585 1 42 LEU MD2 1 45 GLN HE21 4.370 . 4.870 3.372 3.131 3.623 . 0 0 "[ . 1 . 2]" 1
586 1 42 LEU MD2 1 45 GLN HE22 4.830 . 5.330 3.790 3.631 4.010 . 0 0 "[ . 1 . 2]" 1
587 1 42 LEU MD2 1 45 GLN HG3 5.090 . 5.590 3.050 2.671 3.466 . 0 0 "[ . 1 . 2]" 1
588 1 42 LEU HG 1 43 PRO HD2 4.540 . 5.040 4.650 4.618 4.674 . 0 0 "[ . 1 . 2]" 1
589 1 42 LEU HG 1 45 GLN HG2 5.310 . 5.810 4.801 4.682 5.091 . 0 0 "[ . 1 . 2]" 1
590 1 43 PRO HA 1 44 PRO HA 4.780 . 5.280 4.317 4.286 4.377 . 0 0 "[ . 1 . 2]" 1
591 1 43 PRO HA 1 44 PRO HB3 4.950 . 5.450 4.909 4.837 4.968 . 0 0 "[ . 1 . 2]" 1
592 1 43 PRO HA 1 44 PRO HD2 3.310 . 3.810 2.718 2.641 2.786 . 0 0 "[ . 1 . 2]" 1
593 1 43 PRO HA 1 44 PRO HD3 3.060 . 3.560 2.479 2.427 2.549 . 0 0 "[ . 1 . 2]" 1
594 1 43 PRO HA 1 44 PRO HG2 4.850 . 5.350 4.799 4.744 4.854 . 0 0 "[ . 1 . 2]" 1
595 1 43 PRO HB2 1 44 PRO HD2 3.380 . 3.880 2.012 1.973 2.036 . 0 0 "[ . 1 . 2]" 1
596 1 43 PRO HB2 1 44 PRO HD3 3.400 . 3.900 3.453 3.434 3.478 . 0 0 "[ . 1 . 2]" 1
597 1 43 PRO HB2 1 44 PRO HG2 3.970 . 4.470 3.782 3.666 3.882 . 0 0 "[ . 1 . 2]" 1
598 1 43 PRO HB2 1 45 GLN HE21 4.620 . 5.120 4.085 3.953 4.175 . 0 0 "[ . 1 . 2]" 1
599 1 43 PRO HB2 1 45 GLN HE22 4.980 . 5.480 4.355 4.220 4.462 . 0 0 "[ . 1 . 2]" 1
600 1 43 PRO HB3 1 44 PRO HD2 3.110 . 3.610 2.908 2.767 3.016 . 0 0 "[ . 1 . 2]" 1
601 1 43 PRO HB3 1 45 GLN HE21 4.910 . 5.410 4.934 4.859 4.983 . 0 0 "[ . 1 . 2]" 1
602 1 43 PRO HB3 1 45 GLN HE22 5.320 . 5.820 5.224 5.110 5.303 . 0 0 "[ . 1 . 2]" 1
603 1 43 PRO HD2 1 45 GLN HE21 3.920 . 4.420 2.915 2.804 3.022 . 0 0 "[ . 1 . 2]" 1
604 1 43 PRO HD2 1 45 GLN HE22 4.260 . 4.760 3.037 2.922 3.101 . 0 0 "[ . 1 . 2]" 1
605 1 43 PRO HD3 1 45 GLN HE21 4.420 . 4.920 4.368 4.300 4.447 . 0 0 "[ . 1 . 2]" 1
606 1 43 PRO HD3 1 45 GLN HE22 4.540 . 5.040 4.550 4.468 4.610 . 0 0 "[ . 1 . 2]" 1
607 1 43 PRO QG 1 45 GLN HE21 4.120 . 4.620 2.524 2.497 2.559 . 0 0 "[ . 1 . 2]" 1
608 1 43 PRO QG 1 45 GLN HE22 4.460 . 4.960 2.220 2.096 2.293 . 0 0 "[ . 1 . 2]" 1
609 1 43 PRO HG2 1 45 GLN HE21 4.180 . 4.680 2.544 2.516 2.580 . 0 0 "[ . 1 . 2]" 1
610 1 43 PRO HG2 1 45 GLN HE22 4.550 . 5.050 2.236 2.109 2.312 . 0 0 "[ . 1 . 2]" 1
611 1 43 PRO HG3 1 45 GLN HE21 4.180 . 4.680 4.225 4.208 4.244 . 0 0 "[ . 1 . 2]" 1
612 1 43 PRO HG3 1 45 GLN HE22 4.550 . 5.050 3.752 3.642 3.826 . 0 0 "[ . 1 . 2]" 1
613 1 44 PRO HA 1 45 GLN H 3.390 . 3.890 2.182 2.131 2.236 . 0 0 "[ . 1 . 2]" 1
614 1 44 PRO HA 1 45 GLN HA 4.500 . 5.000 4.479 4.459 4.500 . 0 0 "[ . 1 . 2]" 1
615 1 44 PRO HA 1 45 GLN HB2 5.010 . 5.510 4.613 4.447 4.767 . 0 0 "[ . 1 . 2]" 1
616 1 44 PRO HA 1 45 GLN HG2 4.710 . 5.210 3.855 3.814 3.895 . 0 0 "[ . 1 . 2]" 1
617 1 44 PRO HA 1 45 GLN HG3 5.500 . 6.000 5.532 5.489 5.575 . 0 0 "[ . 1 . 2]" 1
618 1 44 PRO HB2 1 45 GLN HA 4.970 . 5.470 4.997 4.932 5.050 . 0 0 "[ . 1 . 2]" 1
619 1 44 PRO HB3 1 45 GLN H 4.450 . 4.950 4.332 4.239 4.409 . 0 0 "[ . 1 . 2]" 1
620 1 44 PRO HD2 1 45 GLN H 5.500 . 6.000 5.322 5.215 5.422 . 0 0 "[ . 1 . 2]" 1
621 1 44 PRO HD2 1 45 GLN HE21 5.500 . 6.000 5.255 5.080 5.466 . 0 0 "[ . 1 . 2]" 1
622 1 44 PRO HD3 1 45 GLN H 5.480 . 5.980 5.283 5.236 5.328 . 0 0 "[ . 1 . 2]" 1
623 1 45 GLN H 1 45 GLN HB2 3.890 . 4.390 2.536 2.361 2.665 . 0 0 "[ . 1 . 2]" 1
624 1 45 GLN H 1 45 GLN HB3 4.090 . 4.590 3.586 3.554 3.618 . 0 0 "[ . 1 . 2]" 1
625 1 45 GLN H 1 45 GLN HE21 4.770 . 5.270 3.357 3.116 3.818 . 0 0 "[ . 1 . 2]" 1
626 1 45 GLN H 1 45 GLN HG2 4.090 . 4.590 2.008 1.896 2.203 . 0 0 "[ . 1 . 2]" 1
627 1 45 GLN H 1 45 GLN HG3 4.110 . 4.610 3.500 3.428 3.599 . 0 0 "[ . 1 . 2]" 1
628 1 45 GLN H 1 46 PRO HD2 5.500 . 6.000 4.826 4.768 4.870 . 0 0 "[ . 1 . 2]" 1
629 1 45 GLN H 1 46 PRO HD3 5.250 . 5.750 5.054 4.944 5.146 . 0 0 "[ . 1 . 2]" 1
630 1 45 GLN HA 1 45 GLN HE21 3.790 . 4.290 3.714 3.543 3.876 . 0 0 "[ . 1 . 2]" 1
631 1 45 GLN HA 1 45 GLN HE22 4.340 . 4.840 3.965 3.849 4.013 . 0 0 "[ . 1 . 2]" 1
632 1 45 GLN HA 1 45 GLN HG2 4.060 . 4.560 3.206 3.164 3.250 . 0 0 "[ . 1 . 2]" 1
633 1 45 GLN HA 1 45 GLN HG3 4.110 . 4.610 3.833 3.810 3.902 . 0 0 "[ . 1 . 2]" 1
634 1 45 GLN HA 1 46 PRO HB3 5.030 . 5.530 4.886 4.788 5.008 . 0 0 "[ . 1 . 2]" 1
635 1 45 GLN HA 1 46 PRO HD2 3.270 . 3.770 2.482 2.414 2.578 . 0 0 "[ . 1 . 2]" 1
636 1 45 GLN HA 1 46 PRO HD3 3.260 . 3.760 2.332 2.201 2.454 . 0 0 "[ . 1 . 2]" 1
637 1 45 GLN HA 1 46 PRO QG 5.240 . 5.740 4.100 4.044 4.185 . 0 0 "[ . 1 . 2]" 1
638 1 45 GLN HB2 1 46 PRO HD2 3.880 . 4.380 3.495 3.373 3.549 . 0 0 "[ . 1 . 2]" 1
639 1 45 GLN HB2 1 46 PRO HD3 4.600 . 5.100 4.539 4.458 4.601 . 0 0 "[ . 1 . 2]" 1
640 1 45 GLN HB3 1 46 PRO HD2 3.960 . 4.460 2.018 1.937 2.089 . 0 0 "[ . 1 . 2]" 1
641 1 45 GLN HB3 1 46 PRO HD3 3.460 . 3.960 3.418 3.360 3.456 . 0 0 "[ . 1 . 2]" 1
642 1 45 GLN HB3 1 48 LYS QE 4.570 . 5.070 3.724 3.074 4.086 . 0 0 "[ . 1 . 2]" 1
643 1 45 GLN HB3 1 48 LYS QG 6.170 . 6.670 5.197 4.551 5.539 . 0 0 "[ . 1 . 2]" 1
644 1 45 GLN HE21 1 45 GLN HG2 3.240 . 3.740 2.176 2.150 2.201 . 0 0 "[ . 1 . 2]" 1
645 1 45 GLN HE21 1 46 PRO HD2 5.500 . 6.000 5.527 5.379 5.598 . 0 0 "[ . 1 . 2]" 1
646 1 45 GLN HE22 1 45 GLN HG2 3.840 . 4.340 3.505 3.489 3.516 . 0 0 "[ . 1 . 2]" 1
647 1 45 GLN HE22 1 46 PRO HD2 5.500 . 6.000 5.363 5.103 5.497 . 0 0 "[ . 1 . 2]" 1
648 1 45 GLN HE22 1 46 PRO HD3 5.500 . 6.000 5.586 5.529 5.636 . 0 0 "[ . 1 . 2]" 1
649 1 45 GLN HG2 1 46 PRO HD2 4.730 . 5.230 4.693 4.526 4.779 . 0 0 "[ . 1 . 2]" 1
650 1 45 GLN HG2 1 46 PRO HD3 5.500 . 6.000 5.396 5.323 5.470 . 0 0 "[ . 1 . 2]" 1
651 1 45 GLN HG3 1 46 PRO HD2 4.610 . 5.110 4.345 4.137 4.525 . 0 0 "[ . 1 . 2]" 1
652 1 45 GLN HG3 1 46 PRO HD3 5.500 . 6.000 5.552 5.507 5.602 . 0 0 "[ . 1 . 2]" 1
653 1 46 PRO HA 1 47 LYS H 2.520 . 3.020 2.170 2.107 2.582 . 0 0 "[ . 1 . 2]" 1
654 1 46 PRO HA 1 47 LYS HB3 5.010 . 5.510 4.865 4.455 5.059 . 0 0 "[ . 1 . 2]" 1
655 1 46 PRO HA 1 47 LYS QD 6.170 . 6.670 5.443 5.335 5.572 . 0 0 "[ . 1 . 2]" 1
656 1 46 PRO HA 1 47 LYS HG2 3.750 . 4.250 3.773 3.698 3.882 . 0 0 "[ . 1 . 2]" 1
657 1 46 PRO HA 1 55 ILE MG 5.460 . 5.960 4.296 4.141 4.486 . 0 0 "[ . 1 . 2]" 1
658 1 46 PRO HB2 1 47 LYS H 3.570 . 4.070 3.488 2.403 3.629 . 0 0 "[ . 1 . 2]" 1
659 1 46 PRO HB2 1 48 LYS QE 5.120 . 5.620 4.382 4.164 4.489 . 0 0 "[ . 1 . 2]" 1
660 1 46 PRO HB2 1 48 LYS QG 5.280 . 5.780 3.708 3.416 3.912 . 0 0 "[ . 1 . 2]" 1
661 1 46 PRO HB2 1 55 ILE HB 4.210 . 4.710 2.815 2.529 3.134 . 0 0 "[ . 1 . 2]" 1
662 1 46 PRO HB2 1 55 ILE MD 4.220 . 4.720 3.292 2.956 3.530 . 0 0 "[ . 1 . 2]" 1
663 1 46 PRO HB2 1 55 ILE QG 5.250 . 5.750 4.438 4.204 4.675 . 0 0 "[ . 1 . 2]" 1
664 1 46 PRO HB2 1 55 ILE MG 3.930 . 4.430 2.090 1.966 2.203 . 0 0 "[ . 1 . 2]" 1
665 1 46 PRO HB3 1 47 LYS H 4.030 . 4.530 4.056 3.565 4.128 . 0 0 "[ . 1 . 2]" 1
666 1 46 PRO HB3 1 48 LYS QE 6.070 . 6.570 5.326 4.935 5.476 . 0 0 "[ . 1 . 2]" 1
667 1 46 PRO HB3 1 55 ILE HB 4.510 . 5.010 4.044 3.565 4.391 . 0 0 "[ . 1 . 2]" 1
668 1 46 PRO HB3 1 55 ILE MD 4.620 . 5.120 3.740 3.509 3.864 . 0 0 "[ . 1 . 2]" 1
669 1 46 PRO HB3 1 55 ILE MG 4.180 . 4.680 3.360 3.208 3.492 . 0 0 "[ . 1 . 2]" 1
670 1 46 PRO HD2 1 48 LYS QE 4.680 . 5.180 3.491 2.859 3.923 . 0 0 "[ . 1 . 2]" 1
671 1 46 PRO HD2 1 55 ILE MD 6.410 . 6.910 5.229 4.965 5.376 . 0 0 "[ . 1 . 2]" 1
672 1 46 PRO HD2 1 55 ILE MG 5.490 . 5.990 4.324 4.171 4.442 . 0 0 "[ . 1 . 2]" 1
673 1 46 PRO HD3 1 47 LYS H 5.500 . 6.000 5.561 5.525 5.619 . 0 0 "[ . 1 . 2]" 1
674 1 46 PRO HD3 1 48 LYS QE 5.890 . 6.390 4.841 4.217 5.245 . 0 0 "[ . 1 . 2]" 1
675 1 46 PRO HD3 1 55 ILE MD 6.180 . 6.680 5.092 4.865 5.193 . 0 0 "[ . 1 . 2]" 1
676 1 46 PRO HD3 1 55 ILE MG 5.700 . 6.200 4.652 4.520 4.783 . 0 0 "[ . 1 . 2]" 1
677 1 46 PRO QG 1 47 LYS H 5.300 . 5.800 4.575 3.863 4.679 . 0 0 "[ . 1 . 2]" 1
678 1 46 PRO QG 1 48 LYS QE 4.400 . 4.900 2.667 2.285 2.917 . 0 0 "[ . 1 . 2]" 1
679 1 46 PRO QG 1 55 ILE MD 4.270 . 4.770 2.918 2.697 3.019 . 0 0 "[ . 1 . 2]" 1
680 1 46 PRO QG 1 55 ILE MG 4.690 . 5.190 2.218 2.057 2.345 . 0 0 "[ . 1 . 2]" 1
681 1 47 LYS H 1 47 LYS HB2 3.580 . 4.080 3.609 3.535 3.661 . 0 0 "[ . 1 . 2]" 1
682 1 47 LYS H 1 47 LYS HB3 3.770 . 4.270 2.991 2.750 3.548 . 0 0 "[ . 1 . 2]" 1
683 1 47 LYS H 1 47 LYS QD 4.770 . 5.270 3.830 3.710 4.213 . 0 0 "[ . 1 . 2]" 1
684 1 47 LYS H 1 47 LYS QE 5.320 . 5.820 4.648 3.890 4.787 . 0 0 "[ . 1 . 2]" 1
685 1 47 LYS H 1 47 LYS HG2 2.560 . 3.060 1.970 1.862 2.576 . 0 0 "[ . 1 . 2]" 1
686 1 47 LYS H 1 47 LYS HG3 3.000 . 3.500 2.715 2.259 3.067 . 0 0 "[ . 1 . 2]" 1
687 1 47 LYS H 1 48 LYS H 4.480 . 4.980 4.237 2.765 4.602 . 0 0 "[ . 1 . 2]" 1
688 1 47 LYS H 1 48 LYS QE 6.170 . 6.670 5.545 5.193 5.622 . 0 0 "[ . 1 . 2]" 1
689 1 47 LYS H 1 55 ILE MG 5.320 . 5.820 4.349 3.584 4.449 . 0 0 "[ . 1 . 2]" 1
690 1 47 LYS HA 1 47 LYS QE 5.530 . 6.030 4.751 4.061 5.271 . 0 0 "[ . 1 . 2]" 1
691 1 47 LYS HA 1 47 LYS HG2 4.080 . 4.580 3.686 3.571 3.772 . 0 0 "[ . 1 . 2]" 1
692 1 47 LYS HA 1 47 LYS HG3 4.250 . 4.750 3.829 3.698 3.903 . 0 0 "[ . 1 . 2]" 1
693 1 47 LYS HA 1 48 LYS H 3.310 . 3.810 2.195 2.072 3.252 . 0 0 "[ . 1 . 2]" 1
694 1 47 LYS HA 1 48 LYS HA 5.040 . 5.540 4.481 4.390 5.107 . 0 0 "[ . 1 . 2]" 1
695 1 47 LYS HA 1 48 LYS QE 5.250 . 5.750 4.230 3.685 4.685 . 0 0 "[ . 1 . 2]" 1
696 1 47 LYS HA 1 48 LYS QG 5.260 . 5.760 3.846 3.296 4.255 . 0 0 "[ . 1 . 2]" 1
697 1 47 LYS HA 1 55 ILE MG 5.640 . 6.140 4.489 4.244 4.779 . 0 0 "[ . 1 . 2]" 1
698 1 47 LYS HA 1 58 MET ME 6.100 . 6.600 4.259 3.810 4.957 . 0 0 "[ . 1 . 2]" 1
699 1 47 LYS HB2 1 48 LYS H 4.840 . 5.340 3.768 2.872 4.358 . 0 0 "[ . 1 . 2]" 1
700 1 47 LYS HB2 1 58 MET ME 4.560 . 5.060 2.695 2.118 3.866 . 0 0 "[ . 1 . 2]" 1
701 1 47 LYS HB3 1 48 LYS H 4.880 . 5.380 4.250 3.982 4.539 . 0 0 "[ . 1 . 2]" 1
702 1 47 LYS QD 1 58 MET ME 5.190 . 5.690 3.738 2.579 3.915 . 0 0 "[ . 1 . 2]" 1
703 1 47 LYS QD 2 2 G H1' 4.490 . 4.990 4.008 3.593 4.088 . 0 0 "[ . 1 . 2]" 1
704 1 47 LYS QD 2 3 G H1' 6.730 . 7.230 4.129 3.709 5.575 . 0 0 "[ . 1 . 2]" 1
705 1 47 LYS QD 2 3 G H8 6.730 . 7.230 2.997 2.197 5.084 . 0 0 "[ . 1 . 2]" 1
706 1 47 LYS QE 1 58 MET ME 4.910 . 5.410 2.437 1.894 3.685 . 0 0 "[ . 1 . 2]" 1
707 1 47 LYS QE 2 2 G H1' 3.370 . 3.870 2.724 2.479 3.043 . 0 0 "[ . 1 . 2]" 1
708 1 47 LYS QE 2 3 G H1' 5.610 . 6.110 4.314 3.508 5.014 . 0 0 "[ . 1 . 2]" 1
709 1 47 LYS QE 2 3 G H8 6.730 . 7.230 4.049 2.574 4.763 . 0 0 "[ . 1 . 2]" 1
710 1 47 LYS QG 2 2 G H1' 6.170 . 6.670 5.526 5.113 5.600 . 0 0 "[ . 1 . 2]" 1
711 1 47 LYS QG 2 3 G H1' 6.730 . 7.230 6.059 5.716 6.172 . 0 0 "[ . 1 . 2]" 1
712 1 47 LYS HG2 1 48 LYS H 5.470 . 5.970 5.265 3.766 5.442 . 0 0 "[ . 1 . 2]" 1
713 1 47 LYS HG3 1 48 LYS H 5.180 . 5.680 4.847 3.488 5.201 . 0 0 "[ . 1 . 2]" 1
714 1 47 LYS HG3 1 58 MET ME 4.140 . 4.640 2.869 2.039 3.408 . 0 0 "[ . 1 . 2]" 1
715 1 48 LYS H 1 48 LYS HB3 3.700 . 4.200 3.595 3.535 3.931 . 0 0 "[ . 1 . 2]" 1
716 1 48 LYS H 1 48 LYS QE 4.870 . 5.370 3.295 2.725 4.147 . 0 0 "[ . 1 . 2]" 1
717 1 48 LYS H 1 48 LYS QG 4.770 . 5.270 2.361 2.206 2.787 . 0 0 "[ . 1 . 2]" 1
718 1 48 LYS H 1 58 MET ME 6.180 . 6.680 4.121 3.727 4.423 . 0 0 "[ . 1 . 2]" 1
719 1 48 LYS HA 1 48 LYS HD2 4.500 . 5.000 4.523 4.498 4.548 . 0 0 "[ . 1 . 2]" 1
720 1 48 LYS HA 1 48 LYS HD3 4.840 . 5.340 4.718 4.602 4.822 . 0 0 "[ . 1 . 2]" 1
721 1 48 LYS HA 1 48 LYS QE 5.050 . 5.550 4.472 4.293 4.560 . 0 0 "[ . 1 . 2]" 1
722 1 48 LYS HA 1 49 CYS H 3.010 . 3.510 2.323 2.281 2.414 . 0 0 "[ . 1 . 2]" 1
723 1 48 LYS HA 1 49 CYS HB2 5.290 . 5.790 4.600 4.539 4.681 . 0 0 "[ . 1 . 2]" 1
724 1 48 LYS HA 1 53 GLN HA 5.350 . 5.850 4.222 4.137 4.309 . 0 0 "[ . 1 . 2]" 1
725 1 48 LYS HA 1 55 ILE H 4.120 . 4.620 3.731 3.486 4.031 . 0 0 "[ . 1 . 2]" 1
726 1 48 LYS HA 1 55 ILE HA 3.690 . 4.190 2.212 2.033 2.448 . 0 0 "[ . 1 . 2]" 1
727 1 48 LYS HA 1 55 ILE HB 4.640 . 5.140 4.111 3.978 4.333 . 0 0 "[ . 1 . 2]" 1
728 1 48 LYS HA 1 55 ILE MG 4.280 . 4.780 2.273 2.149 2.450 . 0 0 "[ . 1 . 2]" 1
729 1 48 LYS HA 1 58 MET ME 5.130 . 5.630 3.469 3.061 3.662 . 0 0 "[ . 1 . 2]" 1
730 1 48 LYS HB2 1 48 LYS HD2 3.270 . 3.770 2.145 2.111 2.191 . 0 0 "[ . 1 . 2]" 1
731 1 48 LYS HB2 1 48 LYS HD3 3.460 . 3.960 3.317 3.129 3.511 . 0 0 "[ . 1 . 2]" 1
732 1 48 LYS HB2 1 48 LYS QE 4.390 . 4.890 3.349 2.832 3.686 . 0 0 "[ . 1 . 2]" 1
733 1 48 LYS HB2 1 49 CYS H 3.820 . 4.320 3.749 3.472 3.846 . 0 0 "[ . 1 . 2]" 1
734 1 48 LYS HB2 1 49 CYS HB3 5.500 . 6.000 5.234 5.033 5.406 . 0 0 "[ . 1 . 2]" 1
735 1 48 LYS HB2 1 53 GLN H 5.360 . 5.860 5.050 4.853 5.222 . 0 0 "[ . 1 . 2]" 1
736 1 48 LYS HB2 1 53 GLN HA 3.440 . 3.940 3.000 2.806 3.170 . 0 0 "[ . 1 . 2]" 1
737 1 48 LYS HB2 1 53 GLN HB2 5.430 . 5.930 5.279 5.006 5.488 . 0 0 "[ . 1 . 2]" 1
738 1 48 LYS HB2 1 53 GLN HB3 4.570 . 5.070 3.817 3.539 4.072 . 0 0 "[ . 1 . 2]" 1
739 1 48 LYS HB2 1 53 GLN HE21 5.330 . 5.830 4.713 4.119 5.052 . 0 0 "[ . 1 . 2]" 1
740 1 48 LYS HB2 1 53 GLN HG2 5.090 . 5.590 4.769 4.396 5.025 . 0 0 "[ . 1 . 2]" 1
741 1 48 LYS HB2 1 53 GLN QG 4.780 . 5.280 3.353 2.873 3.604 . 0 0 "[ . 1 . 2]" 1
742 1 48 LYS HB2 1 53 GLN HG3 5.090 . 5.590 3.426 2.912 3.699 . 0 0 "[ . 1 . 2]" 1
743 1 48 LYS HB2 1 54 SER H 5.500 . 6.000 5.429 5.143 5.550 . 0 0 "[ . 1 . 2]" 1
744 1 48 LYS HB2 1 55 ILE H 5.500 . 6.000 5.561 5.531 5.625 . 0 0 "[ . 1 . 2]" 1
745 1 48 LYS HB2 1 55 ILE MG 5.660 . 6.160 3.900 3.807 4.029 . 0 0 "[ . 1 . 2]" 1
746 1 48 LYS HB3 1 48 LYS HD2 3.730 . 4.230 2.881 2.702 3.090 . 0 0 "[ . 1 . 2]" 1
747 1 48 LYS HB3 1 48 LYS HD3 4.000 . 4.500 3.154 2.871 3.445 . 0 0 "[ . 1 . 2]" 1
748 1 48 LYS HB3 1 48 LYS QE 4.880 . 5.380 4.060 3.890 4.132 . 0 0 "[ . 1 . 2]" 1
749 1 48 LYS HB3 1 49 CYS H 3.920 . 4.420 2.569 2.216 2.685 . 0 0 "[ . 1 . 2]" 1
750 1 48 LYS HB3 1 53 GLN HA 3.590 . 4.090 1.991 1.925 2.090 . 0 0 "[ . 1 . 2]" 1
751 1 48 LYS HB3 1 53 GLN HB2 4.640 . 5.140 4.350 4.226 4.465 . 0 0 "[ . 1 . 2]" 1
752 1 48 LYS HB3 1 53 GLN HB3 4.830 . 5.330 3.107 2.940 3.251 . 0 0 "[ . 1 . 2]" 1
753 1 48 LYS HB3 1 53 GLN HE21 4.990 . 5.490 4.626 4.061 4.857 . 0 0 "[ . 1 . 2]" 1
754 1 48 LYS HB3 1 53 GLN QG 5.460 . 5.960 3.424 3.143 3.600 . 0 0 "[ . 1 . 2]" 1
755 1 48 LYS HB3 1 54 SER H 4.380 . 4.880 3.797 3.579 3.888 . 0 0 "[ . 1 . 2]" 1
756 1 48 LYS HB3 1 55 ILE H 5.300 . 5.800 4.107 4.007 4.197 . 0 0 "[ . 1 . 2]" 1
757 1 48 LYS HB3 1 55 ILE HA 4.430 . 4.930 4.226 4.077 4.372 . 0 0 "[ . 1 . 2]" 1
758 1 48 LYS HB3 1 55 ILE MG 4.050 . 4.550 3.400 3.356 3.438 . 0 0 "[ . 1 . 2]" 1
759 1 48 LYS HD2 1 53 GLN HA 4.040 . 4.540 3.803 3.632 3.989 . 0 0 "[ . 1 . 2]" 1
760 1 48 LYS HD2 1 53 GLN HB2 4.750 . 5.250 4.791 4.670 4.835 . 0 0 "[ . 1 . 2]" 1
761 1 48 LYS HD2 1 53 GLN HB3 4.260 . 4.760 3.061 2.913 3.209 . 0 0 "[ . 1 . 2]" 1
762 1 48 LYS HD2 1 53 GLN HE21 5.500 . 6.000 5.466 5.097 5.558 . 0 0 "[ . 1 . 2]" 1
763 1 48 LYS HD2 1 53 GLN HG2 4.180 . 4.680 4.007 3.625 4.185 . 0 0 "[ . 1 . 2]" 1
764 1 48 LYS HD2 1 53 GLN HG3 4.180 . 4.680 3.450 2.973 3.577 . 0 0 "[ . 1 . 2]" 1
765 1 48 LYS HD2 1 55 ILE MG 4.970 . 5.470 4.137 4.085 4.175 . 0 0 "[ . 1 . 2]" 1
766 1 48 LYS HD3 1 53 GLN HA 4.660 . 5.160 4.132 3.762 4.619 . 0 0 "[ . 1 . 2]" 1
767 1 48 LYS HD3 1 53 GLN HB2 4.940 . 5.440 4.424 4.033 4.960 . 0 0 "[ . 1 . 2]" 1
768 1 48 LYS HD3 1 53 GLN HB3 4.380 . 4.880 2.728 2.342 3.267 . 0 0 "[ . 1 . 2]" 1
769 1 48 LYS HD3 1 53 GLN QG 5.460 . 5.960 3.883 3.407 4.375 . 0 0 "[ . 1 . 2]" 1
770 1 48 LYS HD3 1 55 ILE MG 4.860 . 5.360 3.487 3.340 3.608 . 0 0 "[ . 1 . 2]" 1
771 1 48 LYS QE 1 53 GLN HA 6.170 . 6.670 5.408 5.303 5.512 . 0 0 "[ . 1 . 2]" 1
772 1 48 LYS QE 1 53 GLN HB3 5.470 . 5.970 4.676 4.417 4.907 . 0 0 "[ . 1 . 2]" 1
773 1 48 LYS QE 1 53 GLN HG3 6.170 . 6.670 5.415 5.027 5.527 . 0 0 "[ . 1 . 2]" 1
774 1 48 LYS QE 1 55 ILE H 6.170 . 6.670 5.272 4.854 5.563 . 0 0 "[ . 1 . 2]" 1
775 1 48 LYS QE 1 55 ILE MD 6.090 . 6.590 4.189 3.771 4.544 . 0 0 "[ . 1 . 2]" 1
776 1 48 LYS QE 1 55 ILE MG 4.250 . 4.750 2.991 2.744 3.160 . 0 0 "[ . 1 . 2]" 1
777 1 48 LYS QG 1 49 CYS H 4.490 . 4.990 3.842 3.718 3.900 . 0 0 "[ . 1 . 2]" 1
778 1 48 LYS QG 1 53 GLN HA 4.530 . 5.030 3.871 3.794 4.008 . 0 0 "[ . 1 . 2]" 1
779 1 48 LYS QG 1 53 GLN HB3 6.020 . 6.520 3.749 3.610 4.040 . 0 0 "[ . 1 . 2]" 1
780 1 48 LYS QG 1 53 GLN QG 6.730 . 7.230 4.515 4.168 4.691 . 0 0 "[ . 1 . 2]" 1
781 1 48 LYS QG 1 54 SER H 5.560 . 6.060 4.985 4.909 5.021 . 0 0 "[ . 1 . 2]" 1
782 1 48 LYS QG 1 55 ILE H 4.790 . 5.290 3.077 3.026 3.139 . 0 0 "[ . 1 . 2]" 1
783 1 48 LYS QG 1 55 ILE HA 4.880 . 5.380 3.504 3.415 3.590 . 0 0 "[ . 1 . 2]" 1
784 1 48 LYS QG 1 55 ILE MD 4.720 . 5.220 3.614 3.575 3.650 . 0 0 "[ . 1 . 2]" 1
785 1 48 LYS QG 1 55 ILE MG 3.550 . 4.050 1.726 1.704 1.742 0.096 5 0 "[ . 1 . 2]" 1
786 1 48 LYS QG 1 56 SER H 6.020 . 6.520 5.370 5.324 5.413 . 0 0 "[ . 1 . 2]" 1
787 1 49 CYS H 1 49 CYS HB2 3.310 . 3.810 2.462 2.392 2.627 . 0 0 "[ . 1 . 2]" 1
788 1 49 CYS H 1 49 CYS HB3 3.260 . 3.760 2.311 2.216 2.368 . 0 0 "[ . 1 . 2]" 1
789 1 49 CYS H 1 50 HIS H 4.580 . 5.080 4.561 4.533 4.589 . 0 0 "[ . 1 . 2]" 1
790 1 49 CYS H 1 51 PHE H 4.980 . 5.480 4.738 4.549 4.800 . 0 0 "[ . 1 . 2]" 1
791 1 49 CYS H 1 52 CYS H 4.900 . 5.400 4.723 4.525 4.809 . 0 0 "[ . 1 . 2]" 1
792 1 49 CYS H 1 53 GLN H 4.350 . 4.850 4.142 3.819 4.307 . 0 0 "[ . 1 . 2]" 1
793 1 49 CYS H 1 53 GLN HA 4.040 . 4.540 3.169 2.710 3.317 . 0 0 "[ . 1 . 2]" 1
794 1 49 CYS H 1 54 SER H 3.480 . 3.980 3.030 2.803 3.193 . 0 0 "[ . 1 . 2]" 1
795 1 49 CYS H 1 54 SER HA 4.560 . 5.060 4.260 4.130 4.473 . 0 0 "[ . 1 . 2]" 1
796 1 49 CYS H 1 54 SER QB 4.740 . 5.240 3.884 3.774 4.071 . 0 0 "[ . 1 . 2]" 1
797 1 49 CYS H 1 55 ILE HA 3.790 . 4.290 3.317 3.195 3.583 . 0 0 "[ . 1 . 2]" 1
798 1 49 CYS H 1 55 ILE MG 5.390 . 5.890 4.010 3.933 4.108 . 0 0 "[ . 1 . 2]" 1
799 1 49 CYS H 1 56 SER H 5.430 . 5.930 5.161 4.988 5.305 . 0 0 "[ . 1 . 2]" 1
800 1 49 CYS H 1 57 HIS H 4.960 . 5.460 4.625 4.457 4.842 . 0 0 "[ . 1 . 2]" 1
801 1 49 CYS H 1 57 HIS HD2 5.500 . 6.000 4.986 4.865 5.198 . 0 0 "[ . 1 . 2]" 1
802 1 49 CYS H 1 58 MET ME 6.610 . 7.110 3.550 3.254 3.932 . 0 0 "[ . 1 . 2]" 1
803 1 49 CYS HA 1 50 HIS H 3.170 . 3.670 2.195 2.170 2.221 . 0 0 "[ . 1 . 2]" 1
804 1 49 CYS HA 1 51 PHE H 4.420 . 4.920 3.598 3.558 3.646 . 0 0 "[ . 1 . 2]" 1
805 1 49 CYS HA 1 52 CYS H 5.270 . 5.770 4.497 4.453 4.553 . 0 0 "[ . 1 . 2]" 1
806 1 49 CYS HA 1 53 GLN H 4.890 . 5.390 4.703 4.600 4.816 . 0 0 "[ . 1 . 2]" 1
807 1 49 CYS HA 1 53 GLN HA 5.500 . 6.000 4.703 4.599 4.776 . 0 0 "[ . 1 . 2]" 1
808 1 49 CYS HA 1 54 SER H 4.910 . 5.410 4.734 4.642 4.831 . 0 0 "[ . 1 . 2]" 1
809 1 49 CYS HA 1 57 HIS HD2 5.500 . 6.000 4.233 4.159 4.392 . 0 0 "[ . 1 . 2]" 1
810 1 49 CYS HA 1 58 MET HA 4.400 . 4.900 2.491 2.377 2.569 . 0 0 "[ . 1 . 2]" 1
811 1 49 CYS HA 1 58 MET ME 5.060 . 5.560 2.568 2.418 2.684 . 0 0 "[ . 1 . 2]" 1
812 1 49 CYS HA 1 58 MET HG2 5.110 . 5.610 5.099 5.022 5.144 . 0 0 "[ . 1 . 2]" 1
813 1 49 CYS HA 1 59 VAL H 4.400 . 4.900 2.393 2.226 2.531 . 0 0 "[ . 1 . 2]" 1
814 1 49 CYS HA 1 59 VAL HB 4.920 . 5.420 3.421 3.251 3.509 . 0 0 "[ . 1 . 2]" 1
815 1 49 CYS HA 1 59 VAL MG1 5.260 . 5.760 4.085 3.912 4.179 . 0 0 "[ . 1 . 2]" 1
816 1 49 CYS HA 2 2 G H1 3.200 . 3.700 3.173 3.078 3.226 . 0 0 "[ . 1 . 2]" 1
817 1 49 CYS QB 2 2 G H1 5.610 . 6.110 5.025 4.945 5.063 . 0 0 "[ . 1 . 2]" 1
818 1 49 CYS HB2 1 50 HIS H 4.350 . 4.850 4.315 4.258 4.358 . 0 0 "[ . 1 . 2]" 1
819 1 49 CYS HB2 1 51 PHE H 5.340 . 5.840 4.175 4.138 4.226 . 0 0 "[ . 1 . 2]" 1
820 1 49 CYS HB2 1 52 CYS H 4.620 . 5.120 3.957 3.891 4.058 . 0 0 "[ . 1 . 2]" 1
821 1 49 CYS HB2 1 53 GLN HA 5.330 . 5.830 4.686 4.548 4.811 . 0 0 "[ . 1 . 2]" 1
822 1 49 CYS HB2 1 54 SER H 4.140 . 4.640 3.189 3.028 3.305 . 0 0 "[ . 1 . 2]" 1
823 1 49 CYS HB2 1 54 SER QB 5.390 . 5.890 3.192 3.115 3.302 . 0 0 "[ . 1 . 2]" 1
824 1 49 CYS HB2 1 57 HIS HD2 4.370 . 4.870 2.612 2.497 2.759 . 0 0 "[ . 1 . 2]" 1
825 1 49 CYS HB2 1 58 MET H 4.520 . 5.020 4.376 4.207 4.492 . 0 0 "[ . 1 . 2]" 1
826 1 49 CYS HB2 1 59 VAL MG1 6.610 . 7.110 5.509 5.436 5.551 . 0 0 "[ . 1 . 2]" 1
827 1 49 CYS HB2 1 59 VAL MG2 6.610 . 7.110 5.523 5.487 5.547 . 0 0 "[ . 1 . 2]" 1
828 1 49 CYS HB3 1 50 HIS H 4.560 . 5.060 4.378 4.340 4.417 . 0 0 "[ . 1 . 2]" 1
829 1 49 CYS HB3 1 51 PHE H 4.470 . 4.970 3.269 3.208 3.398 . 0 0 "[ . 1 . 2]" 1
830 1 49 CYS HB3 1 52 CYS H 3.830 . 4.330 2.636 2.541 2.805 . 0 0 "[ . 1 . 2]" 1
831 1 49 CYS HB3 1 53 GLN H 3.430 . 3.930 2.734 2.573 2.944 . 0 0 "[ . 1 . 2]" 1
832 1 49 CYS HB3 1 53 GLN HA 4.430 . 4.930 3.193 3.056 3.297 . 0 0 "[ . 1 . 2]" 1
833 1 49 CYS HB3 1 54 SER H 3.570 . 4.070 1.799 1.744 1.870 0.056 14 0 "[ . 1 . 2]" 1
834 1 49 CYS HB3 1 54 SER QB 5.240 . 5.740 3.045 2.925 3.180 . 0 0 "[ . 1 . 2]" 1
835 1 49 CYS HB3 1 58 MET HA 4.870 . 5.370 4.534 4.379 4.627 . 0 0 "[ . 1 . 2]" 1
836 1 50 HIS H 1 50 HIS HB2 3.760 . 4.260 2.310 2.247 2.399 . 0 0 "[ . 1 . 2]" 1
837 1 50 HIS H 1 50 HIS QB 3.670 . 4.170 2.282 2.223 2.365 . 0 0 "[ . 1 . 2]" 1
838 1 50 HIS H 1 50 HIS HB3 3.760 . 4.260 3.545 3.515 3.582 . 0 0 "[ . 1 . 2]" 1
839 1 50 HIS H 1 50 HIS HD2 5.350 . 5.850 3.899 3.721 4.116 . 0 0 "[ . 1 . 2]" 1
840 1 50 HIS H 1 50 HIS HE1 5.500 . 6.000 5.438 5.255 5.530 . 0 0 "[ . 1 . 2]" 1
841 1 50 HIS H 1 51 PHE H 4.040 . 4.540 2.954 2.917 2.999 . 0 0 "[ . 1 . 2]" 1
842 1 50 HIS H 1 52 CYS H 5.090 . 5.590 4.641 4.594 4.689 . 0 0 "[ . 1 . 2]" 1
843 1 50 HIS H 1 58 MET HB3 5.050 . 5.550 5.027 4.921 5.096 . 0 0 "[ . 1 . 2]" 1
844 1 50 HIS H 1 58 MET ME 5.430 . 5.930 3.697 3.538 3.806 . 0 0 "[ . 1 . 2]" 1
845 1 50 HIS H 1 59 VAL H 4.200 . 4.700 2.722 2.594 2.812 . 0 0 "[ . 1 . 2]" 1
846 1 50 HIS H 1 59 VAL HB 3.530 . 4.030 2.189 2.001 2.373 . 0 0 "[ . 1 . 2]" 1
847 1 50 HIS H 1 59 VAL MG1 4.120 . 4.620 3.189 3.039 3.325 . 0 0 "[ . 1 . 2]" 1
848 1 50 HIS H 1 59 VAL MG2 4.860 . 5.360 3.776 3.624 3.937 . 0 0 "[ . 1 . 2]" 1
849 1 50 HIS H 2 2 G H1 4.000 . 4.500 2.598 2.359 2.774 . 0 0 "[ . 1 . 2]" 1
850 1 50 HIS HA 1 53 GLN HE21 3.940 . 4.440 2.848 2.711 3.047 . 0 0 "[ . 1 . 2]" 1
851 1 50 HIS HA 1 53 GLN HE22 4.390 . 4.890 3.932 3.422 4.292 . 0 0 "[ . 1 . 2]" 1
852 1 50 HIS HA 1 53 GLN QG 5.120 . 5.620 4.194 3.964 4.354 . 0 0 "[ . 1 . 2]" 1
853 1 50 HIS QB 1 51 PHE H 4.530 . 5.030 3.619 3.577 3.700 . 0 0 "[ . 1 . 2]" 1
854 1 50 HIS QB 1 53 GLN HE21 5.990 . 6.490 4.637 4.517 4.746 . 0 0 "[ . 1 . 2]" 1
855 1 50 HIS QB 1 59 VAL H 5.950 . 6.450 3.995 3.848 4.124 . 0 0 "[ . 1 . 2]" 1
856 1 50 HIS QB 1 59 VAL HB 4.490 . 4.990 2.314 2.128 2.436 . 0 0 "[ . 1 . 2]" 1
857 1 50 HIS QB 1 59 VAL MG2 4.580 . 5.080 2.725 2.496 2.924 . 0 0 "[ . 1 . 2]" 1
858 1 50 HIS QB 2 1 A H8 6.730 . 7.230 4.535 3.773 5.405 . 0 0 "[ . 1 . 2]" 1
859 1 50 HIS QB 2 2 G H1 6.170 . 6.670 3.740 3.506 4.016 . 0 0 "[ . 1 . 2]" 1
860 1 50 HIS HB2 1 51 PHE H 4.680 . 5.180 3.873 3.802 3.994 . 0 0 "[ . 1 . 2]" 1
861 1 50 HIS HB2 1 59 VAL MG1 4.610 . 5.110 2.429 2.273 2.497 . 0 0 "[ . 1 . 2]" 1
862 1 50 HIS HB2 1 59 VAL MG2 5.060 . 5.560 2.804 2.541 3.030 . 0 0 "[ . 1 . 2]" 1
863 1 50 HIS HB3 1 51 PHE H 4.680 . 5.180 4.346 4.322 4.384 . 0 0 "[ . 1 . 2]" 1
864 1 50 HIS HB3 1 59 VAL MG1 4.610 . 5.110 3.828 3.626 3.872 . 0 0 "[ . 1 . 2]" 1
865 1 50 HIS HB3 1 59 VAL MG2 5.060 . 5.560 3.722 3.545 3.866 . 0 0 "[ . 1 . 2]" 1
866 1 50 HIS HD2 1 59 VAL MG1 4.660 . 5.160 2.635 2.224 2.982 . 0 0 "[ . 1 . 2]" 1
867 1 50 HIS HD2 2 1 A H8 4.000 . 4.500 2.872 2.176 3.702 . 0 0 "[ . 1 . 2]" 1
868 1 50 HIS HD2 2 2 G H8 5.500 . 6.000 5.504 5.317 5.558 . 0 0 "[ . 1 . 2]" 1
869 1 51 PHE H 1 51 PHE HB2 3.590 . 4.090 2.697 2.665 2.734 . 0 0 "[ . 1 . 2]" 1
870 1 51 PHE H 1 51 PHE HB3 3.420 . 3.920 2.756 2.727 2.803 . 0 0 "[ . 1 . 2]" 1
871 1 51 PHE H 1 51 PHE QD 5.100 . 5.600 4.302 4.286 4.327 . 0 0 "[ . 1 . 2]" 1
872 1 51 PHE H 1 52 CYS H 2.890 . 3.390 1.942 1.896 1.967 . 0 0 "[ . 1 . 2]" 1
873 1 51 PHE H 1 52 CYS HA 5.040 . 5.540 4.566 4.535 4.588 . 0 0 "[ . 1 . 2]" 1
874 1 51 PHE H 1 52 CYS HB3 5.190 . 5.690 4.774 4.742 4.819 . 0 0 "[ . 1 . 2]" 1
875 1 51 PHE H 1 53 GLN H 4.300 . 4.800 2.628 2.580 2.677 . 0 0 "[ . 1 . 2]" 1
876 1 51 PHE H 1 53 GLN HA 5.150 . 5.650 4.156 4.082 4.245 . 0 0 "[ . 1 . 2]" 1
877 1 51 PHE H 1 54 SER H 4.900 . 5.400 4.525 4.460 4.590 . 0 0 "[ . 1 . 2]" 1
878 1 51 PHE H 1 59 VAL HB 4.090 . 4.590 3.361 3.245 3.408 . 0 0 "[ . 1 . 2]" 1
879 1 51 PHE H 1 59 VAL MG1 6.440 . 6.940 4.860 4.755 4.904 . 0 0 "[ . 1 . 2]" 1
880 1 51 PHE H 1 59 VAL MG2 5.140 . 5.640 3.811 3.742 3.863 . 0 0 "[ . 1 . 2]" 1
881 1 51 PHE H 1 62 CYS HB2 5.180 . 5.680 4.779 4.670 4.866 . 0 0 "[ . 1 . 2]" 1
882 1 51 PHE HA 1 51 PHE QD 3.750 . 4.250 3.080 3.031 3.119 . 0 0 "[ . 1 . 2]" 1
883 1 51 PHE HA 1 51 PHE QE 5.230 . 5.730 4.612 4.576 4.658 . 0 0 "[ . 1 . 2]" 1
884 1 51 PHE HA 1 59 VAL QG 5.000 . 5.500 3.728 3.657 3.749 . 0 0 "[ . 1 . 2]" 1
885 1 51 PHE HB2 1 52 CYS H 3.670 . 4.170 3.641 3.559 3.696 . 0 0 "[ . 1 . 2]" 1
886 1 51 PHE HB2 1 52 CYS HB3 5.420 . 5.920 5.202 5.115 5.269 . 0 0 "[ . 1 . 2]" 1
887 1 51 PHE HB2 1 59 VAL QG 5.370 . 5.870 1.846 1.824 1.865 . 0 0 "[ . 1 . 2]" 1
888 1 51 PHE HB2 1 59 VAL MG2 4.040 . 4.540 1.848 1.827 1.868 . 0 0 "[ . 1 . 2]" 1
889 1 51 PHE HB2 1 62 CYS HB2 4.650 . 5.150 3.472 3.299 3.576 . 0 0 "[ . 1 . 2]" 1
890 1 51 PHE HB2 1 64 LEU MD1 6.610 . 7.110 5.441 5.327 5.537 . 0 0 "[ . 1 . 2]" 1
891 1 51 PHE HB2 1 65 LYS HB3 5.070 . 5.570 4.489 4.408 4.632 . 0 0 "[ . 1 . 2]" 1
892 1 51 PHE HB2 1 65 LYS QD 5.210 . 5.710 4.316 4.053 4.648 . 0 0 "[ . 1 . 2]" 1
893 1 51 PHE HB3 1 52 CYS H 3.120 . 3.620 2.612 2.521 2.679 . 0 0 "[ . 1 . 2]" 1
894 1 51 PHE HB3 1 52 CYS HB3 4.860 . 5.360 3.507 3.397 3.590 . 0 0 "[ . 1 . 2]" 1
895 1 51 PHE HB3 1 53 GLN HE21 5.500 . 6.000 5.541 5.519 5.587 . 0 0 "[ . 1 . 2]" 1
896 1 51 PHE HB3 1 59 VAL HA 4.300 . 4.800 3.318 3.246 3.453 . 0 0 "[ . 1 . 2]" 1
897 1 51 PHE HB3 1 59 VAL HB 5.090 . 5.590 3.904 3.784 4.056 . 0 0 "[ . 1 . 2]" 1
898 1 51 PHE HB3 1 59 VAL MG2 4.140 . 4.640 2.916 2.822 3.079 . 0 0 "[ . 1 . 2]" 1
899 1 51 PHE HB3 1 62 CYS HB2 4.360 . 4.860 2.828 2.746 2.922 . 0 0 "[ . 1 . 2]" 1
900 1 51 PHE HB3 1 64 LEU MD1 5.180 . 5.680 4.054 3.941 4.157 . 0 0 "[ . 1 . 2]" 1
901 1 51 PHE HB3 1 65 LYS HB3 4.640 . 5.140 4.373 4.242 4.501 . 0 0 "[ . 1 . 2]" 1
902 1 51 PHE HB3 1 65 LYS QD 5.860 . 6.360 4.674 4.477 5.061 . 0 0 "[ . 1 . 2]" 1
903 1 51 PHE HB3 1 65 LYS HG2 5.500 . 6.000 5.479 5.389 5.528 . 0 0 "[ . 1 . 2]" 1
904 1 51 PHE QD 1 52 CYS H 4.340 . 4.840 3.954 3.921 3.991 . 0 0 "[ . 1 . 2]" 1
905 1 51 PHE QD 1 52 CYS HA 4.500 . 5.000 4.118 4.085 4.147 . 0 0 "[ . 1 . 2]" 1
906 1 51 PHE QD 1 52 CYS HB3 3.790 . 4.290 2.992 2.931 3.064 . 0 0 "[ . 1 . 2]" 1
907 1 51 PHE QD 1 59 VAL HB 5.990 . 6.490 4.138 4.023 4.254 . 0 0 "[ . 1 . 2]" 1
908 1 51 PHE QD 1 59 VAL MG1 7.230 . 7.730 4.339 4.241 4.439 . 0 0 "[ . 1 . 2]" 1
909 1 51 PHE QD 1 59 VAL QG 5.080 . 5.580 2.029 1.969 2.161 . 0 0 "[ . 1 . 2]" 1
910 1 51 PHE QD 1 59 VAL MG2 4.840 . 5.340 2.033 1.972 2.166 . 0 0 "[ . 1 . 2]" 1
911 1 51 PHE QD 1 62 CYS HA 6.150 . 6.650 5.569 5.549 5.600 . 0 0 "[ . 1 . 2]" 1
912 1 51 PHE QD 1 62 CYS HB2 4.500 . 5.000 4.044 4.030 4.059 . 0 0 "[ . 1 . 2]" 1
913 1 51 PHE QD 1 63 PRO HD2 6.170 . 6.670 5.378 5.323 5.424 . 0 0 "[ . 1 . 2]" 1
914 1 51 PHE QD 1 64 LEU HB2 3.690 . 4.190 2.490 2.423 2.574 . 0 0 "[ . 1 . 2]" 1
915 1 51 PHE QD 1 64 LEU HB3 4.920 . 5.420 3.680 3.536 3.802 . 0 0 "[ . 1 . 2]" 1
916 1 51 PHE QD 1 64 LEU MD1 4.260 . 4.760 2.369 2.214 2.474 . 0 0 "[ . 1 . 2]" 1
917 1 51 PHE QD 1 64 LEU MD2 7.090 . 7.590 4.777 4.652 4.859 . 0 0 "[ . 1 . 2]" 1
918 1 51 PHE QD 1 64 LEU HG 4.730 . 5.230 4.001 3.888 4.088 . 0 0 "[ . 1 . 2]" 1
919 1 51 PHE QD 1 65 LYS HA 5.190 . 5.690 4.607 4.509 4.670 . 0 0 "[ . 1 . 2]" 1
920 1 51 PHE QD 1 65 LYS HB2 5.020 . 5.520 4.255 4.138 4.443 . 0 0 "[ . 1 . 2]" 1
921 1 51 PHE QD 1 65 LYS HB3 5.510 . 6.010 3.354 3.267 3.456 . 0 0 "[ . 1 . 2]" 1
922 1 51 PHE QD 1 65 LYS QD 4.940 . 5.440 3.674 3.494 3.816 . 0 0 "[ . 1 . 2]" 1
923 1 51 PHE QD 1 65 LYS QE 5.690 . 6.190 4.206 3.757 4.530 . 0 0 "[ . 1 . 2]" 1
924 1 51 PHE QD 1 65 LYS HG2 6.170 . 6.670 4.924 4.874 4.976 . 0 0 "[ . 1 . 2]" 1
925 1 51 PHE QD 1 68 GLN QB 6.730 . 7.230 4.778 4.634 5.437 . 0 0 "[ . 1 . 2]" 1
926 1 51 PHE QD 1 68 GLN QG 5.870 . 6.370 4.619 3.909 4.741 . 0 0 "[ . 1 . 2]" 1
927 1 51 PHE QD 2 1 A H2 6.730 . 7.230 3.809 3.408 4.290 . 0 0 "[ . 1 . 2]" 1
928 1 51 PHE QE 1 52 CYS HB3 5.900 . 6.400 5.044 4.979 5.138 . 0 0 "[ . 1 . 2]" 1
929 1 51 PHE QE 1 59 VAL QG 5.660 . 6.160 3.632 3.525 3.755 . 0 0 "[ . 1 . 2]" 1
930 1 51 PHE QE 1 59 VAL MG2 5.530 . 6.030 3.669 3.561 3.795 . 0 0 "[ . 1 . 2]" 1
931 1 51 PHE QE 1 62 CYS HB2 6.020 . 6.520 5.391 5.357 5.424 . 0 0 "[ . 1 . 2]" 1
932 1 51 PHE QE 1 62 CYS HB3 6.170 . 6.670 4.587 4.502 4.666 . 0 0 "[ . 1 . 2]" 1
933 1 51 PHE QE 1 64 LEU H 5.460 . 5.960 4.796 4.698 4.875 . 0 0 "[ . 1 . 2]" 1
934 1 51 PHE QE 1 64 LEU HA 5.480 . 5.980 4.664 4.497 4.775 . 0 0 "[ . 1 . 2]" 1
935 1 51 PHE QE 1 64 LEU HB2 3.780 . 4.280 2.503 2.433 2.579 . 0 0 "[ . 1 . 2]" 1
936 1 51 PHE QE 1 64 LEU HB3 3.780 . 4.280 2.749 2.498 2.910 . 0 0 "[ . 1 . 2]" 1
937 1 51 PHE QE 1 64 LEU MD1 4.600 . 5.100 3.339 3.196 3.443 . 0 0 "[ . 1 . 2]" 1
938 1 51 PHE QE 1 64 LEU MD2 7.250 . 7.750 4.661 4.467 4.791 . 0 0 "[ . 1 . 2]" 1
939 1 51 PHE QE 1 64 LEU HG 5.460 . 5.960 4.805 4.672 4.876 . 0 0 "[ . 1 . 2]" 1
940 1 51 PHE QE 1 65 LYS H 4.050 . 4.550 3.337 3.123 3.488 . 0 0 "[ . 1 . 2]" 1
941 1 51 PHE QE 1 65 LYS HB2 5.510 . 6.010 2.991 2.870 3.138 . 0 0 "[ . 1 . 2]" 1
942 1 51 PHE QE 1 65 LYS HB3 5.170 . 5.670 2.942 2.838 2.984 . 0 0 "[ . 1 . 2]" 1
943 1 51 PHE QE 1 65 LYS QD 4.940 . 5.440 3.960 3.935 3.980 . 0 0 "[ . 1 . 2]" 1
944 1 51 PHE QE 1 65 LYS QE 5.800 . 6.300 3.497 3.002 3.882 . 0 0 "[ . 1 . 2]" 1
945 1 51 PHE QE 1 65 LYS HG2 5.580 . 6.080 4.800 4.731 4.884 . 0 0 "[ . 1 . 2]" 1
946 1 51 PHE QE 1 65 LYS HG3 6.130 . 6.630 5.046 4.916 5.146 . 0 0 "[ . 1 . 2]" 1
947 1 51 PHE QE 1 68 GLN H 6.160 . 6.660 4.856 4.464 5.133 . 0 0 "[ . 1 . 2]" 1
948 1 51 PHE QE 1 68 GLN HB2 5.460 . 5.960 2.913 2.629 4.465 . 0 0 "[ . 1 . 2]" 1
949 1 51 PHE QE 1 68 GLN HB3 5.460 . 5.960 3.634 3.458 3.840 . 0 0 "[ . 1 . 2]" 1
950 1 51 PHE QE 1 68 GLN QG 4.950 . 5.450 2.568 1.915 2.701 . 0 0 "[ . 1 . 2]" 1
951 1 51 PHE QE 2 1 A H2 6.730 . 7.230 3.851 3.709 4.016 . 0 0 "[ . 1 . 2]" 1
952 1 51 PHE HZ 1 64 LEU HB2 5.450 . 5.950 4.629 4.474 4.753 . 0 0 "[ . 1 . 2]" 1
953 1 51 PHE HZ 1 65 LYS HA 3.770 . 4.270 2.459 2.249 2.592 . 0 0 "[ . 1 . 2]" 1
954 1 51 PHE HZ 1 65 LYS HB2 5.150 . 5.650 3.121 2.877 3.369 . 0 0 "[ . 1 . 2]" 1
955 1 51 PHE HZ 1 65 LYS HB3 5.030 . 5.530 3.120 3.008 3.231 . 0 0 "[ . 1 . 2]" 1
956 1 51 PHE HZ 1 65 LYS HG3 5.500 . 6.000 5.344 5.169 5.525 . 0 0 "[ . 1 . 2]" 1
957 1 51 PHE HZ 1 68 GLN H 5.500 . 6.000 4.432 4.208 4.664 . 0 0 "[ . 1 . 2]" 1
958 1 51 PHE HZ 1 68 GLN HB2 5.230 . 5.730 2.271 2.055 5.084 . 0 0 "[ . 1 . 2]" 1
959 1 51 PHE HZ 1 68 GLN QB 5.160 . 5.660 2.198 2.012 4.274 . 0 0 "[ . 1 . 2]" 1
960 1 51 PHE HZ 1 68 GLN HB3 5.230 . 5.730 3.214 2.822 4.596 . 0 0 "[ . 1 . 2]" 1
961 1 51 PHE HZ 1 69 GLY HA3 5.500 . 6.000 3.732 2.683 4.527 . 0 0 "[ . 1 . 2]" 1
962 1 51 PHE HZ 2 1 A H2 6.000 . 6.500 6.111 6.085 6.145 . 0 0 "[ . 1 . 2]" 1
963 1 52 CYS H 1 52 CYS HB2 3.850 . 4.350 3.823 3.796 3.845 . 0 0 "[ . 1 . 2]" 1
964 1 52 CYS H 1 52 CYS HB3 3.130 . 3.630 3.010 2.971 3.039 . 0 0 "[ . 1 . 2]" 1
965 1 52 CYS H 1 53 GLN H 2.860 . 3.360 1.877 1.813 1.920 . 0 0 "[ . 1 . 2]" 1
966 1 52 CYS H 1 53 GLN HA 4.210 . 4.710 3.924 3.879 3.956 . 0 0 "[ . 1 . 2]" 1
967 1 52 CYS H 1 53 GLN HB2 5.190 . 5.690 5.140 5.061 5.196 . 0 0 "[ . 1 . 2]" 1
968 1 52 CYS H 1 53 GLN HE21 4.770 . 5.270 3.678 3.460 3.823 . 0 0 "[ . 1 . 2]" 1
969 1 52 CYS H 1 53 GLN QG 5.990 . 6.490 4.906 4.815 5.088 . 0 0 "[ . 1 . 2]" 1
970 1 52 CYS H 1 54 SER H 3.600 . 4.100 3.287 3.251 3.330 . 0 0 "[ . 1 . 2]" 1
971 1 52 CYS H 1 54 SER QB 5.190 . 5.690 4.702 4.678 4.719 . 0 0 "[ . 1 . 2]" 1
972 1 52 CYS H 1 57 HIS HD2 5.360 . 5.860 5.400 5.377 5.419 . 0 0 "[ . 1 . 2]" 1
973 1 52 CYS H 1 59 VAL HB 5.050 . 5.550 4.888 4.790 4.958 . 0 0 "[ . 1 . 2]" 1
974 1 52 CYS H 1 59 VAL MG2 5.940 . 6.440 4.779 4.736 4.826 . 0 0 "[ . 1 . 2]" 1
975 1 52 CYS H 1 64 LEU MD1 5.190 . 5.690 4.302 4.233 4.339 . 0 0 "[ . 1 . 2]" 1
976 1 52 CYS HA 1 52 CYS HB3 2.930 . 3.430 2.492 2.463 2.525 . 0 0 "[ . 1 . 2]" 1
977 1 52 CYS HA 1 53 GLN HA 5.370 . 5.870 5.137 5.115 5.163 . 0 0 "[ . 1 . 2]" 1
978 1 52 CYS HA 1 53 GLN HE21 4.710 . 5.210 4.675 4.533 4.740 . 0 0 "[ . 1 . 2]" 1
979 1 52 CYS HA 1 54 SER H 5.160 . 5.660 4.490 4.438 4.583 . 0 0 "[ . 1 . 2]" 1
980 1 52 CYS HA 1 64 LEU MD1 4.130 . 4.630 3.192 3.052 3.299 . 0 0 "[ . 1 . 2]" 1
981 1 52 CYS HA 1 64 LEU HG 5.500 . 6.000 5.447 5.249 5.565 . 0 0 "[ . 1 . 2]" 1
982 1 52 CYS HB2 1 53 GLN H 4.620 . 5.120 4.411 4.369 4.446 . 0 0 "[ . 1 . 2]" 1
983 1 52 CYS HB2 1 54 SER H 4.830 . 5.330 4.033 3.941 4.139 . 0 0 "[ . 1 . 2]" 1
984 1 52 CYS HB2 1 57 HIS HE1 5.500 . 6.000 4.715 4.619 4.772 . 0 0 "[ . 1 . 2]" 1
985 1 52 CYS HB2 1 64 LEU HB2 5.430 . 5.930 5.208 5.072 5.310 . 0 0 "[ . 1 . 2]" 1
986 1 52 CYS HB2 1 64 LEU MD1 3.460 . 3.960 2.368 2.262 2.453 . 0 0 "[ . 1 . 2]" 1
987 1 52 CYS HB2 1 64 LEU MD2 5.140 . 5.640 4.292 4.134 4.331 . 0 0 "[ . 1 . 2]" 1
988 1 52 CYS HB2 1 64 LEU HG 4.720 . 5.220 3.957 3.767 4.072 . 0 0 "[ . 1 . 2]" 1
989 1 52 CYS HB3 1 53 GLN H 4.180 . 4.680 4.292 4.271 4.315 . 0 0 "[ . 1 . 2]" 1
990 1 52 CYS HB3 1 64 LEU H 4.960 . 5.460 4.582 4.435 4.726 . 0 0 "[ . 1 . 2]" 1
991 1 52 CYS HB3 1 64 LEU HB2 4.190 . 4.690 3.748 3.679 3.834 . 0 0 "[ . 1 . 2]" 1
992 1 52 CYS HB3 1 64 LEU HB3 5.010 . 5.510 4.709 4.646 4.779 . 0 0 "[ . 1 . 2]" 1
993 1 52 CYS HB3 1 64 LEU MD1 3.520 . 4.020 1.894 1.856 1.943 . 0 0 "[ . 1 . 2]" 1
994 1 52 CYS HB3 1 64 LEU MD2 5.120 . 5.620 4.177 4.094 4.238 . 0 0 "[ . 1 . 2]" 1
995 1 52 CYS HB3 1 64 LEU HG 4.640 . 5.140 3.138 2.989 3.229 . 0 0 "[ . 1 . 2]" 1
996 1 52 CYS HB3 1 65 LYS H 5.480 . 5.980 5.443 5.300 5.508 . 0 0 "[ . 1 . 2]" 1
997 1 53 GLN H 1 53 GLN HA 2.880 . 3.380 2.236 2.219 2.262 . 0 0 "[ . 1 . 2]" 1
998 1 53 GLN H 1 53 GLN HB2 3.610 . 4.110 3.492 3.381 3.548 . 0 0 "[ . 1 . 2]" 1
999 1 53 GLN H 1 53 GLN HE21 4.430 . 4.930 2.409 2.046 2.620 . 0 0 "[ . 1 . 2]" 1
1000 1 53 GLN H 1 53 GLN HE22 4.910 . 5.410 2.952 2.801 3.111 . 0 0 "[ . 1 . 2]" 1
1001 1 53 GLN H 1 53 GLN QG 4.320 . 4.820 3.257 3.158 3.412 . 0 0 "[ . 1 . 2]" 1
1002 1 53 GLN HA 1 53 GLN HE21 4.080 . 4.580 2.944 2.422 3.135 . 0 0 "[ . 1 . 2]" 1
1003 1 53 GLN HA 1 53 GLN HE22 4.520 . 5.020 4.279 3.979 4.423 . 0 0 "[ . 1 . 2]" 1
1004 1 53 GLN HA 1 53 GLN HG2 3.670 . 4.170 3.583 3.525 3.611 . 0 0 "[ . 1 . 2]" 1
1005 1 53 GLN HA 1 53 GLN HG3 3.670 . 4.170 2.319 2.239 2.353 . 0 0 "[ . 1 . 2]" 1
1006 1 53 GLN HA 1 54 SER H 3.080 . 3.580 3.016 2.946 3.068 . 0 0 "[ . 1 . 2]" 1
1007 1 53 GLN HA 1 55 ILE MG 6.610 . 7.110 4.944 4.872 5.077 . 0 0 "[ . 1 . 2]" 1
1008 1 53 GLN HB2 1 53 GLN HE22 5.170 . 5.670 4.522 4.367 4.633 . 0 0 "[ . 1 . 2]" 1
1009 1 53 GLN HB2 1 54 SER H 4.370 . 4.870 4.226 4.173 4.307 . 0 0 "[ . 1 . 2]" 1
1010 1 53 GLN HB3 1 53 GLN HE21 4.360 . 4.860 4.301 4.135 4.366 . 0 0 "[ . 1 . 2]" 1
1011 1 53 GLN HB3 1 53 GLN HG2 2.880 . 3.380 2.383 2.348 2.405 . 0 0 "[ . 1 . 2]" 1
1012 1 53 GLN HB3 1 53 GLN HG3 2.880 . 3.380 2.494 2.472 2.524 . 0 0 "[ . 1 . 2]" 1
1013 1 53 GLN HB3 1 54 SER H 4.560 . 5.060 4.492 4.459 4.519 . 0 0 "[ . 1 . 2]" 1
1014 1 53 GLN HE22 1 53 GLN HG2 4.080 . 4.580 4.046 4.014 4.101 . 0 0 "[ . 1 . 2]" 1
1015 1 53 GLN HE22 1 53 GLN HG3 4.080 . 4.580 3.526 3.507 3.560 . 0 0 "[ . 1 . 2]" 1
1016 1 54 SER H 1 54 SER QB 2.900 . 3.400 2.357 2.311 2.394 . 0 0 "[ . 1 . 2]" 1
1017 1 54 SER H 1 55 ILE MG 6.300 . 6.800 5.261 5.224 5.285 . 0 0 "[ . 1 . 2]" 1
1018 1 54 SER H 1 57 HIS H 5.110 . 5.610 5.113 5.058 5.149 . 0 0 "[ . 1 . 2]" 1
1019 1 54 SER H 1 57 HIS HD2 5.100 . 5.600 5.161 5.124 5.188 . 0 0 "[ . 1 . 2]" 1
1020 1 54 SER HA 1 55 ILE H 2.620 . 3.120 2.195 2.186 2.213 . 0 0 "[ . 1 . 2]" 1
1021 1 54 SER HA 1 55 ILE MD 5.610 . 6.110 4.697 4.669 4.726 . 0 0 "[ . 1 . 2]" 1
1022 1 54 SER HA 1 55 ILE QG 4.680 . 5.180 3.545 3.485 3.634 . 0 0 "[ . 1 . 2]" 1
1023 1 54 SER HA 1 55 ILE MG 4.820 . 5.320 3.836 3.787 3.873 . 0 0 "[ . 1 . 2]" 1
1024 1 54 SER HA 1 57 HIS HE1 5.500 . 6.000 5.512 5.425 5.562 . 0 0 "[ . 1 . 2]" 1
1025 1 54 SER QB 1 55 ILE H 4.520 . 5.020 3.528 3.449 3.611 . 0 0 "[ . 1 . 2]" 1
1026 1 54 SER QB 1 55 ILE QG 5.900 . 6.400 4.197 4.154 4.230 . 0 0 "[ . 1 . 2]" 1
1027 1 54 SER QB 1 55 ILE MG 7.170 . 7.670 4.906 4.858 4.968 . 0 0 "[ . 1 . 2]" 1
1028 1 54 SER QB 1 56 SER H 3.870 . 4.370 2.767 2.698 2.905 . 0 0 "[ . 1 . 2]" 1
1029 1 54 SER QB 1 57 HIS H 3.640 . 4.140 2.993 2.898 3.054 . 0 0 "[ . 1 . 2]" 1
1030 1 54 SER QB 1 57 HIS HE1 3.220 . 3.720 2.697 2.646 2.752 . 0 0 "[ . 1 . 2]" 1
1031 1 54 SER HB2 1 55 ILE QG 6.170 . 6.670 5.432 5.385 5.498 . 0 0 "[ . 1 . 2]" 1
1032 1 54 SER HB2 1 57 HIS H 3.900 . 4.400 3.363 3.243 3.453 . 0 0 "[ . 1 . 2]" 1
1033 1 54 SER HB2 1 57 HIS HD2 5.500 . 6.000 4.105 4.021 4.185 . 0 0 "[ . 1 . 2]" 1
1034 1 54 SER HB2 1 57 HIS HE1 3.530 . 4.030 2.822 2.764 2.884 . 0 0 "[ . 1 . 2]" 1
1035 1 54 SER HB3 1 55 ILE QG 6.170 . 6.670 4.368 4.313 4.409 . 0 0 "[ . 1 . 2]" 1
1036 1 54 SER HB3 1 57 HIS H 3.900 . 4.400 3.357 3.213 3.466 . 0 0 "[ . 1 . 2]" 1
1037 1 54 SER HB3 1 57 HIS HD2 5.500 . 6.000 5.479 5.379 5.530 . 0 0 "[ . 1 . 2]" 1
1038 1 54 SER HB3 1 57 HIS HE1 3.530 . 4.030 3.429 3.360 3.490 . 0 0 "[ . 1 . 2]" 1
1039 1 55 ILE H 1 55 ILE HB 3.710 . 4.210 3.580 3.565 3.593 . 0 0 "[ . 1 . 2]" 1
1040 1 55 ILE H 1 55 ILE MD 4.060 . 4.560 3.166 3.127 3.191 . 0 0 "[ . 1 . 2]" 1
1041 1 55 ILE H 1 55 ILE QG 3.110 . 3.610 1.888 1.844 1.926 . 0 0 "[ . 1 . 2]" 1
1042 1 55 ILE H 1 55 ILE MG 3.630 . 4.130 2.110 2.074 2.166 . 0 0 "[ . 1 . 2]" 1
1043 1 55 ILE H 1 56 SER H 2.990 . 3.490 2.621 2.561 2.700 . 0 0 "[ . 1 . 2]" 1
1044 1 55 ILE H 1 56 SER QB 5.120 . 5.620 4.481 4.260 4.625 . 0 0 "[ . 1 . 2]" 1
1045 1 55 ILE H 1 57 HIS H 4.680 . 5.180 4.649 4.621 4.684 . 0 0 "[ . 1 . 2]" 1
1046 1 55 ILE HA 1 56 SER H 3.530 . 4.030 3.455 3.424 3.487 . 0 0 "[ . 1 . 2]" 1
1047 1 55 ILE HB 1 55 ILE MD 3.430 . 3.930 2.586 2.548 2.619 . 0 0 "[ . 1 . 2]" 1
1048 1 55 ILE HB 1 56 SER H 3.980 . 4.480 3.996 3.952 4.019 . 0 0 "[ . 1 . 2]" 1
1049 1 55 ILE HB 1 56 SER HA 4.740 . 5.240 4.712 4.659 4.764 . 0 0 "[ . 1 . 2]" 1
1050 1 55 ILE HB 1 57 HIS H 5.500 . 6.000 5.539 5.512 5.575 . 0 0 "[ . 1 . 2]" 1
1051 1 55 ILE MD 1 55 ILE MG 3.460 . 3.960 1.875 1.857 1.904 . 0 0 "[ . 1 . 2]" 1
1052 1 55 ILE MD 1 56 SER QB 6.510 . 7.010 4.886 4.860 4.913 . 0 0 "[ . 1 . 2]" 1
1053 1 55 ILE QG 1 56 SER H 3.490 . 3.990 2.398 2.356 2.450 . 0 0 "[ . 1 . 2]" 1
1054 1 55 ILE QG 1 56 SER QB 5.440 . 5.940 3.566 3.548 3.600 . 0 0 "[ . 1 . 2]" 1
1055 1 55 ILE QG 1 57 HIS H 5.350 . 5.850 4.723 4.700 4.768 . 0 0 "[ . 1 . 2]" 1
1056 1 55 ILE MG 1 56 SER H 4.790 . 5.290 4.006 3.993 4.025 . 0 0 "[ . 1 . 2]" 1
1057 1 55 ILE MG 1 57 HIS H 6.610 . 7.110 5.435 5.407 5.478 . 0 0 "[ . 1 . 2]" 1
1058 1 55 ILE MG 1 58 MET ME 6.890 . 7.390 4.536 4.329 4.726 . 0 0 "[ . 1 . 2]" 1
1059 1 56 SER H 1 56 SER HA 2.790 . 3.290 2.763 2.748 2.794 . 0 0 "[ . 1 . 2]" 1
1060 1 56 SER H 1 56 SER QB 3.020 . 3.520 2.293 2.194 2.387 . 0 0 "[ . 1 . 2]" 1
1061 1 56 SER H 1 57 HIS H 3.030 . 3.530 2.877 2.826 2.911 . 0 0 "[ . 1 . 2]" 1
1062 1 56 SER QB 1 57 HIS H 3.850 . 4.350 3.026 2.459 3.413 . 0 0 "[ . 1 . 2]" 1
1063 1 56 SER QB 1 57 HIS HE1 5.990 . 6.490 4.631 3.961 5.156 . 0 0 "[ . 1 . 2]" 1
1064 1 56 SER HB2 1 57 HIS H 4.000 . 4.500 3.777 3.615 3.905 . 0 0 "[ . 1 . 2]" 1
1065 1 56 SER HB3 1 57 HIS H 4.000 . 4.500 3.337 2.490 3.904 . 0 0 "[ . 1 . 2]" 1
1066 1 57 HIS H 1 57 HIS HB3 3.350 . 3.850 3.270 3.237 3.298 . 0 0 "[ . 1 . 2]" 1
1067 1 57 HIS H 1 57 HIS HE1 4.640 . 5.140 4.553 4.451 4.592 . 0 0 "[ . 1 . 2]" 1
1068 1 57 HIS H 1 58 MET H 4.490 . 4.990 4.281 4.247 4.318 . 0 0 "[ . 1 . 2]" 1
1069 1 57 HIS H 1 58 MET ME 6.220 . 6.720 4.859 4.746 4.963 . 0 0 "[ . 1 . 2]" 1
1070 1 57 HIS H 1 58 MET HG2 5.110 . 5.610 5.118 5.077 5.154 . 0 0 "[ . 1 . 2]" 1
1071 1 57 HIS HA 1 58 MET H 2.810 . 3.310 2.786 2.746 2.821 . 0 0 "[ . 1 . 2]" 1
1072 1 57 HIS HA 1 58 MET HG2 4.860 . 5.360 3.534 3.433 3.601 . 0 0 "[ . 1 . 2]" 1
1073 1 57 HIS HB2 1 58 MET H 2.780 . 3.280 1.849 1.795 1.904 0.005 17 0 "[ . 1 . 2]" 1
1074 1 57 HIS HB2 1 61 SER H 4.760 . 5.260 4.308 4.252 4.375 . 0 0 "[ . 1 . 2]" 1
1075 1 57 HIS HB2 1 61 SER HB2 4.140 . 4.640 3.745 3.244 3.821 . 0 0 "[ . 1 . 2]" 1
1076 1 57 HIS HB2 1 61 SER HB3 3.980 . 4.480 2.334 2.142 2.886 . 0 0 "[ . 1 . 2]" 1
1077 1 57 HIS HB3 1 58 MET H 3.480 . 3.980 3.425 3.384 3.469 . 0 0 "[ . 1 . 2]" 1
1078 1 57 HIS HB3 1 61 SER HB2 5.130 . 5.630 5.175 4.790 5.220 . 0 0 "[ . 1 . 2]" 1
1079 1 57 HIS HB3 1 61 SER HB3 3.970 . 4.470 3.717 3.640 4.046 . 0 0 "[ . 1 . 2]" 1
1080 1 57 HIS HD2 1 58 MET H 3.680 . 4.180 2.735 2.644 2.856 . 0 0 "[ . 1 . 2]" 1
1081 1 57 HIS HD2 1 58 MET HA 3.600 . 4.100 3.381 3.322 3.459 . 0 0 "[ . 1 . 2]" 1
1082 1 57 HIS HD2 1 58 MET ME 6.440 . 6.940 4.769 4.630 4.871 . 0 0 "[ . 1 . 2]" 1
1083 1 57 HIS HD2 1 59 VAL HA 4.070 . 4.570 3.672 3.615 3.752 . 0 0 "[ . 1 . 2]" 1
1084 1 57 HIS HD2 1 59 VAL QG 6.770 . 7.270 4.832 4.803 4.883 . 0 0 "[ . 1 . 2]" 1
1085 1 57 HIS HD2 1 59 VAL MG2 6.610 . 7.110 5.347 5.306 5.415 . 0 0 "[ . 1 . 2]" 1
1086 1 57 HIS HD2 1 61 SER H 4.120 . 4.620 3.870 3.812 3.947 . 0 0 "[ . 1 . 2]" 1
1087 1 57 HIS HD2 1 61 SER HB2 5.220 . 5.720 5.222 4.635 5.279 . 0 0 "[ . 1 . 2]" 1
1088 1 57 HIS HD2 1 62 CYS H 3.810 . 4.310 3.843 3.806 3.881 . 0 0 "[ . 1 . 2]" 1
1089 1 57 HIS HD2 1 62 CYS HA 3.220 . 3.720 2.742 2.692 2.781 . 0 0 "[ . 1 . 2]" 1
1090 1 57 HIS HD2 1 62 CYS HB2 4.100 . 4.600 3.563 3.525 3.595 . 0 0 "[ . 1 . 2]" 1
1091 1 57 HIS HD2 1 62 CYS HB3 4.960 . 5.460 5.000 4.979 5.022 . 0 0 "[ . 1 . 2]" 1
1092 1 57 HIS HD2 1 63 PRO HD2 4.300 . 4.800 4.032 3.940 4.106 . 0 0 "[ . 1 . 2]" 1
1093 1 57 HIS HD2 1 63 PRO HD3 4.450 . 4.950 4.044 3.966 4.117 . 0 0 "[ . 1 . 2]" 1
1094 1 57 HIS HE1 1 62 CYS HA 4.170 . 4.670 4.091 4.014 4.160 . 0 0 "[ . 1 . 2]" 1
1095 1 57 HIS HE1 1 63 PRO HB2 5.500 . 6.000 5.482 5.418 5.524 . 0 0 "[ . 1 . 2]" 1
1096 1 57 HIS HE1 1 63 PRO HD2 3.170 . 3.670 2.779 2.719 2.835 . 0 0 "[ . 1 . 2]" 1
1097 1 57 HIS HE1 1 63 PRO HD3 3.330 . 3.830 3.092 2.982 3.174 . 0 0 "[ . 1 . 2]" 1
1098 1 57 HIS HE1 1 63 PRO QG 3.780 . 4.280 2.792 2.732 2.852 . 0 0 "[ . 1 . 2]" 1
1099 1 57 HIS HE1 1 64 LEU MD1 6.300 . 6.800 5.015 4.858 5.248 . 0 0 "[ . 1 . 2]" 1
1100 1 57 HIS HE1 1 64 LEU MD2 6.610 . 7.110 5.196 4.978 5.363 . 0 0 "[ . 1 . 2]" 1
1101 1 57 HIS HE1 1 64 LEU HG 5.150 . 5.650 4.653 4.498 4.843 . 0 0 "[ . 1 . 2]" 1
1102 1 58 MET H 1 58 MET HB2 3.160 . 3.660 2.521 2.464 2.587 . 0 0 "[ . 1 . 2]" 1
1103 1 58 MET H 1 58 MET HB3 3.950 . 4.450 3.716 3.678 3.749 . 0 0 "[ . 1 . 2]" 1
1104 1 58 MET H 1 58 MET ME 5.260 . 5.760 4.194 4.118 4.241 . 0 0 "[ . 1 . 2]" 1
1105 1 58 MET H 1 58 MET HG2 3.450 . 3.950 3.087 3.011 3.163 . 0 0 "[ . 1 . 2]" 1
1106 1 58 MET H 1 58 MET HG3 4.230 . 4.730 3.845 3.753 3.954 . 0 0 "[ . 1 . 2]" 1
1107 1 58 MET H 1 59 VAL H 4.750 . 5.250 4.462 4.433 4.483 . 0 0 "[ . 1 . 2]" 1
1108 1 58 MET H 1 59 VAL MG1 6.610 . 7.110 5.559 5.539 5.581 . 0 0 "[ . 1 . 2]" 1
1109 1 58 MET H 1 60 ALA H 5.370 . 5.870 4.268 4.170 4.330 . 0 0 "[ . 1 . 2]" 1
1110 1 58 MET H 1 61 SER H 4.030 . 4.530 3.467 3.392 3.539 . 0 0 "[ . 1 . 2]" 1
1111 1 58 MET H 1 61 SER HB2 3.860 . 4.360 3.469 2.786 3.626 . 0 0 "[ . 1 . 2]" 1
1112 1 58 MET H 1 61 SER HB3 3.530 . 4.030 2.740 2.338 3.497 . 0 0 "[ . 1 . 2]" 1
1113 1 58 MET H 1 62 CYS H 5.020 . 5.520 4.637 4.560 4.738 . 0 0 "[ . 1 . 2]" 1
1114 1 58 MET HA 1 58 MET ME 4.980 . 5.480 1.921 1.833 1.965 . 0 0 "[ . 1 . 2]" 1
1115 1 58 MET HA 1 58 MET HG2 3.660 . 4.160 2.766 2.722 2.797 . 0 0 "[ . 1 . 2]" 1
1116 1 58 MET HA 1 59 VAL MG1 5.880 . 6.380 4.231 4.174 4.317 . 0 0 "[ . 1 . 2]" 1
1117 1 58 MET HA 1 60 ALA MB 6.610 . 7.110 4.670 4.601 4.732 . 0 0 "[ . 1 . 2]" 1
1118 1 58 MET HB2 1 59 VAL H 4.200 . 4.700 3.785 3.724 3.829 . 0 0 "[ . 1 . 2]" 1
1119 1 58 MET HB2 1 59 VAL MG1 5.450 . 5.950 4.308 4.278 4.375 . 0 0 "[ . 1 . 2]" 1
1120 1 58 MET HB2 1 60 ALA H 4.400 . 4.900 2.702 2.617 2.793 . 0 0 "[ . 1 . 2]" 1
1121 1 58 MET HB2 1 60 ALA MB 4.350 . 4.850 2.325 2.225 2.411 . 0 0 "[ . 1 . 2]" 1
1122 1 58 MET HB2 1 61 SER H 4.450 . 4.950 3.355 3.184 3.573 . 0 0 "[ . 1 . 2]" 1
1123 1 58 MET HB2 1 62 CYS H 5.310 . 5.810 5.136 4.995 5.279 . 0 0 "[ . 1 . 2]" 1
1124 1 58 MET HB2 2 2 G H8 6.000 . 6.500 4.626 4.396 4.958 . 0 0 "[ . 1 . 2]" 1
1125 1 58 MET HB3 1 59 VAL H 4.090 . 4.590 2.671 2.605 2.711 . 0 0 "[ . 1 . 2]" 1
1126 1 58 MET HB3 1 59 VAL MG1 5.690 . 6.190 3.204 3.163 3.242 . 0 0 "[ . 1 . 2]" 1
1127 1 58 MET HB3 1 59 VAL QG 6.170 . 6.670 3.182 3.142 3.220 . 0 0 "[ . 1 . 2]" 1
1128 1 58 MET HB3 1 60 ALA H 5.180 . 5.680 2.293 2.164 2.416 . 0 0 "[ . 1 . 2]" 1
1129 1 58 MET HB3 1 60 ALA MB 5.100 . 5.600 2.810 2.692 2.952 . 0 0 "[ . 1 . 2]" 1
1130 1 58 MET HB3 1 61 SER H 4.870 . 5.370 4.130 3.986 4.333 . 0 0 "[ . 1 . 2]" 1
1131 1 58 MET HB3 2 2 G H8 6.000 . 6.500 3.634 3.519 3.916 . 0 0 "[ . 1 . 2]" 1
1132 1 58 MET ME 1 59 VAL H 6.220 . 6.720 2.918 2.790 3.050 . 0 0 "[ . 1 . 2]" 1
1133 1 58 MET ME 1 59 VAL MG1 6.320 . 6.820 4.019 3.892 4.131 . 0 0 "[ . 1 . 2]" 1
1134 1 58 MET ME 2 2 G H1 4.560 . 5.060 2.771 2.669 2.868 . 0 0 "[ . 1 . 2]" 1
1135 1 58 MET ME 2 2 G H1' 7.210 . 7.710 4.698 4.445 4.995 . 0 0 "[ . 1 . 2]" 1
1136 1 58 MET ME 2 2 G H8 6.000 . 6.500 5.006 4.802 5.078 . 0 0 "[ . 1 . 2]" 1
1137 1 58 MET HG2 1 59 VAL H 4.910 . 5.410 4.790 4.759 4.817 . 0 0 "[ . 1 . 2]" 1
1138 1 58 MET HG3 1 59 VAL H 5.170 . 5.670 5.162 5.111 5.189 . 0 0 "[ . 1 . 2]" 1
1139 1 58 MET HG3 1 59 VAL MG1 6.610 . 7.110 5.529 5.505 5.549 . 0 0 "[ . 1 . 2]" 1
1140 1 58 MET HG3 1 60 ALA H 5.500 . 6.000 4.563 4.469 4.630 . 0 0 "[ . 1 . 2]" 1
1141 1 59 VAL H 1 59 VAL HB 3.800 . 4.300 2.371 2.337 2.396 . 0 0 "[ . 1 . 2]" 1
1142 1 59 VAL H 1 59 VAL MG1 4.100 . 4.600 2.232 2.199 2.266 . 0 0 "[ . 1 . 2]" 1
1143 1 59 VAL H 1 59 VAL MG2 4.540 . 5.040 3.722 3.708 3.738 . 0 0 "[ . 1 . 2]" 1
1144 1 59 VAL H 1 60 ALA H 4.350 . 4.850 2.593 2.569 2.634 . 0 0 "[ . 1 . 2]" 1
1145 1 59 VAL H 1 60 ALA MB 5.560 . 6.060 4.176 4.146 4.215 . 0 0 "[ . 1 . 2]" 1
1146 1 59 VAL H 1 61 SER H 4.830 . 5.330 4.120 4.066 4.189 . 0 0 "[ . 1 . 2]" 1
1147 1 59 VAL H 1 62 CYS H 5.010 . 5.510 4.808 4.757 4.848 . 0 0 "[ . 1 . 2]" 1
1148 1 59 VAL H 1 62 CYS HB2 5.170 . 5.670 4.490 4.451 4.511 . 0 0 "[ . 1 . 2]" 1
1149 1 59 VAL HA 1 61 SER H 4.210 . 4.710 3.314 3.239 3.369 . 0 0 "[ . 1 . 2]" 1
1150 1 59 VAL HA 1 62 CYS H 3.530 . 4.030 2.757 2.705 2.793 . 0 0 "[ . 1 . 2]" 1
1151 1 59 VAL HA 1 62 CYS HA 4.440 . 4.940 3.869 3.805 3.934 . 0 0 "[ . 1 . 2]" 1
1152 1 59 VAL HA 1 62 CYS HB2 3.550 . 4.050 1.828 1.798 1.857 0.002 9 0 "[ . 1 . 2]" 1
1153 1 59 VAL HA 1 62 CYS HB3 3.560 . 4.060 3.329 3.274 3.367 . 0 0 "[ . 1 . 2]" 1
1154 1 59 VAL HB 1 60 ALA HA 5.500 . 6.000 5.591 5.565 5.619 . 0 0 "[ . 1 . 2]" 1
1155 1 59 VAL HB 1 61 SER H 5.500 . 6.000 5.230 5.170 5.273 . 0 0 "[ . 1 . 2]" 1
1156 1 59 VAL HB 1 62 CYS H 5.500 . 6.000 5.171 5.131 5.211 . 0 0 "[ . 1 . 2]" 1
1157 1 59 VAL HB 1 62 CYS HB2 4.770 . 5.270 4.107 4.055 4.164 . 0 0 "[ . 1 . 2]" 1
1158 1 59 VAL HB 1 62 CYS HB3 5.500 . 6.000 5.462 5.384 5.511 . 0 0 "[ . 1 . 2]" 1
1159 1 59 VAL QG 1 62 CYS H 5.200 . 5.700 3.628 3.574 3.688 . 0 0 "[ . 1 . 2]" 1
1160 1 59 VAL MG1 1 60 ALA H 3.920 . 4.420 2.206 2.154 2.266 . 0 0 "[ . 1 . 2]" 1
1161 1 59 VAL MG1 1 60 ALA HA 4.520 . 5.020 3.036 2.991 3.111 . 0 0 "[ . 1 . 2]" 1
1162 1 59 VAL MG1 1 60 ALA MB 4.360 . 4.860 3.069 3.045 3.099 . 0 0 "[ . 1 . 2]" 1
1163 1 59 VAL MG1 1 61 SER H 4.800 . 5.300 4.055 4.028 4.084 . 0 0 "[ . 1 . 2]" 1
1164 1 59 VAL MG1 1 62 CYS H 5.940 . 6.440 4.532 4.490 4.583 . 0 0 "[ . 1 . 2]" 1
1165 1 59 VAL MG1 1 62 CYS HB2 5.910 . 6.410 4.599 4.554 4.646 . 0 0 "[ . 1 . 2]" 1
1166 1 59 VAL MG1 2 1 A H1' 5.400 . 5.900 3.619 3.411 3.936 . 0 0 "[ . 1 . 2]" 1
1167 1 59 VAL MG1 2 1 A H2 4.800 . 5.300 3.960 3.753 4.028 . 0 0 "[ . 1 . 2]" 1
1168 1 59 VAL MG1 2 1 A H2' 3.840 . 4.340 2.184 1.966 2.321 . 0 0 "[ . 1 . 2]" 1
1169 1 59 VAL MG1 2 1 A H3' 4.800 . 5.300 4.015 3.820 4.080 . 0 0 "[ . 1 . 2]" 1
1170 1 59 VAL MG1 2 1 A H4' 6.610 . 7.110 5.305 5.240 5.418 . 0 0 "[ . 1 . 2]" 1
1171 1 59 VAL MG1 2 1 A Q5' 5.390 . 5.890 4.011 3.571 4.068 . 0 0 "[ . 1 . 2]" 1
1172 1 59 VAL MG1 2 1 A H8 6.000 . 6.500 3.331 2.995 3.816 . 0 0 "[ . 1 . 2]" 1
1173 1 59 VAL MG1 2 2 G H1 5.400 . 5.900 4.167 4.073 4.230 . 0 0 "[ . 1 . 2]" 1
1174 1 59 VAL MG1 2 2 G H8 4.800 . 5.300 3.559 3.492 3.651 . 0 0 "[ . 1 . 2]" 1
1175 1 59 VAL MG2 1 60 ALA H 4.830 . 5.330 3.960 3.907 3.993 . 0 0 "[ . 1 . 2]" 1
1176 1 59 VAL MG2 1 60 ALA HA 4.890 . 5.390 4.023 3.938 4.066 . 0 0 "[ . 1 . 2]" 1
1177 1 59 VAL MG2 1 62 CYS H 4.730 . 5.230 3.818 3.753 3.890 . 0 0 "[ . 1 . 2]" 1
1178 1 59 VAL MG2 1 62 CYS HA 6.610 . 7.110 5.083 5.011 5.173 . 0 0 "[ . 1 . 2]" 1
1179 1 59 VAL MG2 1 62 CYS HB2 4.230 . 4.730 2.845 2.767 2.945 . 0 0 "[ . 1 . 2]" 1
1180 1 59 VAL MG2 1 62 CYS HB3 4.430 . 4.930 3.373 3.265 3.461 . 0 0 "[ . 1 . 2]" 1
1181 1 59 VAL MG2 1 65 LYS HB2 5.300 . 5.800 4.328 4.167 4.431 . 0 0 "[ . 1 . 2]" 1
1182 1 59 VAL MG2 1 65 LYS QD 3.840 . 4.340 2.467 2.263 2.659 . 0 0 "[ . 1 . 2]" 1
1183 1 59 VAL MG2 1 65 LYS QE 5.380 . 5.880 3.165 2.630 3.983 . 0 0 "[ . 1 . 2]" 1
1184 1 59 VAL MG2 1 65 LYS HG2 5.390 . 5.890 4.334 4.116 4.496 . 0 0 "[ . 1 . 2]" 1
1185 1 59 VAL MG2 2 1 A H2 4.800 . 5.300 2.757 2.451 3.027 . 0 0 "[ . 1 . 2]" 1
1186 1 59 VAL MG2 2 2 G H1 6.610 . 7.110 5.678 5.649 5.713 . 0 0 "[ . 1 . 2]" 1
1187 1 60 ALA H 1 60 ALA MB 3.120 . 3.620 2.153 2.135 2.164 . 0 0 "[ . 1 . 2]" 1
1188 1 60 ALA H 1 61 SER H 3.270 . 3.770 2.622 2.566 2.668 . 0 0 "[ . 1 . 2]" 1
1189 1 60 ALA H 1 61 SER HB2 5.430 . 5.930 4.670 4.338 4.822 . 0 0 "[ . 1 . 2]" 1
1190 1 60 ALA H 1 62 CYS H 4.300 . 4.800 4.008 3.969 4.030 . 0 0 "[ . 1 . 2]" 1
1191 1 60 ALA HA 1 61 SER HA 4.670 . 5.170 4.600 4.557 4.641 . 0 0 "[ . 1 . 2]" 1
1192 1 60 ALA HA 1 61 SER HB2 5.500 . 6.000 5.006 4.967 5.103 . 0 0 "[ . 1 . 2]" 1
1193 1 60 ALA HA 1 62 CYS H 3.940 . 4.440 4.274 4.238 4.298 . 0 0 "[ . 1 . 2]" 1
1194 1 60 ALA HA 2 2 G H8 4.400 . 4.900 4.664 4.624 4.716 . 0 0 "[ . 1 . 2]" 1
1195 1 60 ALA MB 1 61 SER H 3.610 . 4.110 3.075 3.038 3.118 . 0 0 "[ . 1 . 2]" 1
1196 1 60 ALA MB 1 61 SER HA 5.120 . 5.620 4.292 4.276 4.308 . 0 0 "[ . 1 . 2]" 1
1197 1 60 ALA MB 1 61 SER HB2 4.800 . 5.300 3.335 3.274 3.389 . 0 0 "[ . 1 . 2]" 1
1198 1 60 ALA MB 1 61 SER HB3 6.210 . 6.710 4.421 4.142 4.856 . 0 0 "[ . 1 . 2]" 1
1199 1 60 ALA MB 1 62 CYS H 5.610 . 6.110 4.585 4.566 4.608 . 0 0 "[ . 1 . 2]" 1
1200 1 60 ALA MB 2 1 A H1' 7.210 . 7.710 4.539 4.384 4.873 . 0 0 "[ . 1 . 2]" 1
1201 1 60 ALA MB 2 1 A Q5' 8.090 . 8.590 4.044 3.098 4.698 . 0 0 "[ . 1 . 2]" 1
1202 1 60 ALA MB 2 1 A H8 7.210 . 7.710 5.806 5.692 6.033 . 0 0 "[ . 1 . 2]" 1
1203 1 60 ALA MB 2 2 G H3' 4.800 . 5.300 3.717 3.455 3.963 . 0 0 "[ . 1 . 2]" 1
1204 1 60 ALA MB 2 2 G H8 3.360 . 3.860 2.377 2.292 2.493 . 0 0 "[ . 1 . 2]" 1
1205 1 61 SER H 1 61 SER HB2 3.260 . 3.760 2.955 2.574 3.091 . 0 0 "[ . 1 . 2]" 1
1206 1 61 SER H 1 61 SER HB3 3.370 . 3.870 3.024 2.797 3.500 . 0 0 "[ . 1 . 2]" 1
1207 1 61 SER H 1 62 CYS H 2.720 . 3.220 1.931 1.872 2.014 . 0 0 "[ . 1 . 2]" 1
1208 1 61 SER H 1 62 CYS HA 4.620 . 5.120 4.051 4.016 4.083 . 0 0 "[ . 1 . 2]" 1
1209 1 61 SER H 1 62 CYS HB2 4.230 . 4.730 3.852 3.791 3.933 . 0 0 "[ . 1 . 2]" 1
1210 1 61 SER H 1 62 CYS HB3 5.020 . 5.520 4.698 4.639 4.778 . 0 0 "[ . 1 . 2]" 1
1211 1 61 SER HA 1 61 SER HB2 2.960 . 3.460 2.662 2.535 2.954 . 0 0 "[ . 1 . 2]" 1
1212 1 61 SER HA 1 62 CYS H 3.570 . 4.070 3.202 3.151 3.246 . 0 0 "[ . 1 . 2]" 1
1213 1 61 SER HB2 1 62 CYS H 4.270 . 4.770 4.334 4.066 4.387 . 0 0 "[ . 1 . 2]" 1
1214 1 61 SER HB3 1 62 CYS H 4.370 . 4.870 3.861 3.715 4.195 . 0 0 "[ . 1 . 2]" 1
1215 1 62 CYS H 1 62 CYS HA 2.780 . 3.280 2.805 2.780 2.821 . 0 0 "[ . 1 . 2]" 1
1216 1 62 CYS H 1 62 CYS HB2 2.890 . 3.390 2.413 2.385 2.456 . 0 0 "[ . 1 . 2]" 1
1217 1 62 CYS H 1 62 CYS HB3 2.760 . 3.260 2.829 2.813 2.845 . 0 0 "[ . 1 . 2]" 1
1218 1 62 CYS H 1 63 PRO HD2 4.920 . 5.420 4.847 4.812 4.869 . 0 0 "[ . 1 . 2]" 1
1219 1 62 CYS H 1 63 PRO HD3 4.900 . 5.400 4.865 4.811 4.905 . 0 0 "[ . 1 . 2]" 1
1220 1 62 CYS H 1 64 LEU H 5.500 . 6.000 5.345 5.291 5.393 . 0 0 "[ . 1 . 2]" 1
1221 1 62 CYS H 1 65 LYS HG2 4.320 . 4.820 3.623 3.389 3.791 . 0 0 "[ . 1 . 2]" 1
1222 1 62 CYS H 1 65 LYS HG3 5.120 . 5.620 4.950 4.763 5.100 . 0 0 "[ . 1 . 2]" 1
1223 1 62 CYS HA 1 63 PRO HB2 5.500 . 6.000 5.567 5.555 5.584 . 0 0 "[ . 1 . 2]" 1
1224 1 62 CYS HA 1 63 PRO HD2 2.950 . 3.450 2.130 2.111 2.154 . 0 0 "[ . 1 . 2]" 1
1225 1 62 CYS HA 1 63 PRO HD3 2.960 . 3.460 2.354 2.317 2.380 . 0 0 "[ . 1 . 2]" 1
1226 1 62 CYS HA 1 63 PRO QG 4.390 . 4.890 3.893 3.882 3.909 . 0 0 "[ . 1 . 2]" 1
1227 1 62 CYS HA 1 64 LEU H 3.800 . 4.300 3.617 3.590 3.644 . 0 0 "[ . 1 . 2]" 1
1228 1 62 CYS HA 1 64 LEU MD1 6.590 . 7.090 5.492 5.464 5.509 . 0 0 "[ . 1 . 2]" 1
1229 1 62 CYS HA 1 64 LEU HG 4.750 . 5.250 4.769 4.739 4.800 . 0 0 "[ . 1 . 2]" 1
1230 1 62 CYS HA 1 65 LYS H 5.100 . 5.600 4.658 4.568 4.768 . 0 0 "[ . 1 . 2]" 1
1231 1 62 CYS HA 1 65 LYS HG2 5.500 . 6.000 4.481 4.397 4.590 . 0 0 "[ . 1 . 2]" 1
1232 1 62 CYS HB2 1 63 PRO HD2 4.000 . 4.500 3.955 3.934 3.986 . 0 0 "[ . 1 . 2]" 1
1233 1 62 CYS HB2 1 63 PRO HD3 4.970 . 5.470 4.837 4.798 4.869 . 0 0 "[ . 1 . 2]" 1
1234 1 62 CYS HB2 1 63 PRO QG 6.170 . 6.670 5.577 5.565 5.598 . 0 0 "[ . 1 . 2]" 1
1235 1 62 CYS HB2 1 64 LEU H 4.670 . 5.170 4.320 4.262 4.386 . 0 0 "[ . 1 . 2]" 1
1236 1 62 CYS HB2 1 64 LEU MD1 6.290 . 6.790 5.270 5.238 5.294 . 0 0 "[ . 1 . 2]" 1
1237 1 62 CYS HB2 1 65 LYS HB2 5.500 . 6.000 5.538 5.517 5.558 . 0 0 "[ . 1 . 2]" 1
1238 1 62 CYS HB2 1 65 LYS HB3 4.150 . 4.650 4.004 3.951 4.050 . 0 0 "[ . 1 . 2]" 1
1239 1 62 CYS HB2 1 65 LYS QD 4.730 . 5.230 3.316 2.953 3.726 . 0 0 "[ . 1 . 2]" 1
1240 1 62 CYS HB3 1 63 PRO HD2 4.170 . 4.670 4.026 4.001 4.046 . 0 0 "[ . 1 . 2]" 1
1241 1 62 CYS HB3 1 63 PRO HD3 5.140 . 5.640 4.939 4.905 4.966 . 0 0 "[ . 1 . 2]" 1
1242 1 62 CYS HB3 1 64 LEU H 4.040 . 4.540 3.319 3.244 3.374 . 0 0 "[ . 1 . 2]" 1
1243 1 62 CYS HB3 1 64 LEU HB2 4.840 . 5.340 3.844 3.727 3.979 . 0 0 "[ . 1 . 2]" 1
1244 1 62 CYS HB3 1 65 LYS H 3.240 . 3.740 2.418 2.285 2.516 . 0 0 "[ . 1 . 2]" 1
1245 1 62 CYS HB3 1 65 LYS HA 5.500 . 6.000 4.661 4.566 4.733 . 0 0 "[ . 1 . 2]" 1
1246 1 62 CYS HB3 1 65 LYS HB2 4.130 . 4.630 4.154 4.134 4.175 . 0 0 "[ . 1 . 2]" 1
1247 1 62 CYS HB3 1 65 LYS HB3 4.120 . 4.620 2.660 2.585 2.708 . 0 0 "[ . 1 . 2]" 1
1248 1 62 CYS HB3 1 65 LYS QD 4.510 . 5.010 2.647 2.256 3.068 . 0 0 "[ . 1 . 2]" 1
1249 1 62 CYS HB3 1 65 LYS HG2 4.570 . 5.070 2.126 2.075 2.201 . 0 0 "[ . 1 . 2]" 1
1250 1 62 CYS HB3 1 65 LYS HG3 4.180 . 4.680 3.828 3.740 3.905 . 0 0 "[ . 1 . 2]" 1
1251 1 63 PRO HA 1 64 LEU MD2 6.380 . 6.880 4.841 4.767 4.890 . 0 0 "[ . 1 . 2]" 1
1252 1 63 PRO HA 1 65 LYS HG2 5.500 . 6.000 4.849 4.671 5.015 . 0 0 "[ . 1 . 2]" 1
1253 1 63 PRO HA 1 66 ALA H 3.990 . 4.490 3.937 3.766 4.008 . 0 0 "[ . 1 . 2]" 1
1254 1 63 PRO HA 1 66 ALA MB 3.720 . 4.220 3.093 2.868 3.150 . 0 0 "[ . 1 . 2]" 1
1255 1 63 PRO HB2 1 64 LEU HA 5.160 . 5.660 4.332 4.277 4.385 . 0 0 "[ . 1 . 2]" 1
1256 1 63 PRO HB2 1 64 LEU MD2 4.730 . 5.230 3.468 3.438 3.517 . 0 0 "[ . 1 . 2]" 1
1257 1 63 PRO HB2 1 64 LEU HG 4.420 . 4.920 4.442 4.414 4.468 . 0 0 "[ . 1 . 2]" 1
1258 1 63 PRO HB2 1 66 ALA MB 6.020 . 6.520 4.696 4.597 4.792 . 0 0 "[ . 1 . 2]" 1
1259 1 63 PRO HB2 1 67 GLN QE 5.990 . 6.490 4.277 3.601 5.089 . 0 0 "[ . 1 . 2]" 1
1260 1 63 PRO HB3 1 64 LEU H 4.480 . 4.980 4.379 4.348 4.421 . 0 0 "[ . 1 . 2]" 1
1261 1 63 PRO HB3 1 64 LEU MD2 5.910 . 6.410 4.821 4.795 4.875 . 0 0 "[ . 1 . 2]" 1
1262 1 63 PRO HD2 1 64 LEU H 3.330 . 3.830 2.634 2.584 2.699 . 0 0 "[ . 1 . 2]" 1
1263 1 63 PRO HD2 1 64 LEU HA 5.500 . 6.000 5.313 5.270 5.367 . 0 0 "[ . 1 . 2]" 1
1264 1 63 PRO HD2 1 64 LEU HB2 4.990 . 5.490 4.500 4.420 4.566 . 0 0 "[ . 1 . 2]" 1
1265 1 63 PRO HD2 1 64 LEU MD1 5.180 . 5.680 4.312 4.286 4.338 . 0 0 "[ . 1 . 2]" 1
1266 1 63 PRO HD2 1 64 LEU MD2 5.660 . 6.160 4.256 4.219 4.277 . 0 0 "[ . 1 . 2]" 1
1267 1 63 PRO HD2 1 64 LEU HG 4.650 . 5.150 3.091 3.065 3.120 . 0 0 "[ . 1 . 2]" 1
1268 1 63 PRO HD2 1 65 LYS H 4.790 . 5.290 4.656 4.560 4.709 . 0 0 "[ . 1 . 2]" 1
1269 1 63 PRO HD3 1 64 LEU H 3.960 . 4.460 3.826 3.794 3.866 . 0 0 "[ . 1 . 2]" 1
1270 1 63 PRO HD3 1 64 LEU MD2 6.240 . 6.740 5.235 5.211 5.261 . 0 0 "[ . 1 . 2]" 1
1271 1 63 PRO HD3 1 64 LEU HG 4.910 . 5.410 4.673 4.649 4.697 . 0 0 "[ . 1 . 2]" 1
1272 1 63 PRO QG 1 64 LEU H 3.390 . 3.890 2.687 2.624 2.788 . 0 0 "[ . 1 . 2]" 1
1273 1 63 PRO QG 1 64 LEU HA 4.990 . 5.490 4.071 3.982 4.158 . 0 0 "[ . 1 . 2]" 1
1274 1 63 PRO QG 1 64 LEU MD1 5.500 . 6.000 3.891 3.845 3.919 . 0 0 "[ . 1 . 2]" 1
1275 1 63 PRO QG 1 64 LEU HG 3.470 . 3.970 2.493 2.443 2.546 . 0 0 "[ . 1 . 2]" 1
1276 1 63 PRO QG 1 65 LYS H 6.140 . 6.640 5.031 4.967 5.101 . 0 0 "[ . 1 . 2]" 1
1277 1 63 PRO QG 1 67 GLN QE 6.730 . 7.230 4.798 4.119 5.283 . 0 0 "[ . 1 . 2]" 1
1278 1 64 LEU H 1 64 LEU HB2 3.220 . 3.720 2.505 2.472 2.540 . 0 0 "[ . 1 . 2]" 1
1279 1 64 LEU H 1 64 LEU HB3 3.750 . 4.250 3.603 3.581 3.626 . 0 0 "[ . 1 . 2]" 1
1280 1 64 LEU H 1 64 LEU MD1 4.340 . 4.840 3.647 3.629 3.665 . 0 0 "[ . 1 . 2]" 1
1281 1 64 LEU H 1 64 LEU MD2 3.750 . 4.250 3.109 3.076 3.145 . 0 0 "[ . 1 . 2]" 1
1282 1 64 LEU H 1 65 LYS H 2.720 . 3.220 2.496 2.438 2.530 . 0 0 "[ . 1 . 2]" 1
1283 1 64 LEU H 1 65 LYS HA 5.350 . 5.850 5.107 5.070 5.146 . 0 0 "[ . 1 . 2]" 1
1284 1 64 LEU H 1 65 LYS HB3 4.760 . 5.260 4.655 4.584 4.765 . 0 0 "[ . 1 . 2]" 1
1285 1 64 LEU H 1 65 LYS HG2 5.060 . 5.560 4.018 3.803 4.247 . 0 0 "[ . 1 . 2]" 1
1286 1 64 LEU H 1 65 LYS HG3 5.500 . 6.000 5.468 5.353 5.542 . 0 0 "[ . 1 . 2]" 1
1287 1 64 LEU H 1 66 ALA MB 5.520 . 6.020 4.518 4.427 4.575 . 0 0 "[ . 1 . 2]" 1
1288 1 64 LEU HA 1 64 LEU HB3 2.580 . 3.080 2.430 2.409 2.444 . 0 0 "[ . 1 . 2]" 1
1289 1 64 LEU HA 1 64 LEU MD2 2.990 . 3.490 2.063 2.010 2.133 . 0 0 "[ . 1 . 2]" 1
1290 1 64 LEU HA 1 64 LEU HG 3.420 . 3.920 3.270 3.238 3.292 . 0 0 "[ . 1 . 2]" 1
1291 1 64 LEU HA 1 65 LYS HA 4.980 . 5.480 4.791 4.746 4.856 . 0 0 "[ . 1 . 2]" 1
1292 1 64 LEU HA 1 66 ALA H 4.020 . 4.520 3.850 3.718 3.980 . 0 0 "[ . 1 . 2]" 1
1293 1 64 LEU HA 1 67 GLN QE 3.760 . 4.260 1.979 1.722 2.166 0.078 5 0 "[ . 1 . 2]" 1
1294 1 64 LEU HB2 1 64 LEU MD1 3.150 . 3.650 2.299 2.248 2.334 . 0 0 "[ . 1 . 2]" 1
1295 1 64 LEU HB2 1 65 LYS H 2.980 . 3.480 2.304 2.182 2.412 . 0 0 "[ . 1 . 2]" 1
1296 1 64 LEU HB2 1 65 LYS HA 4.550 . 5.050 3.979 3.931 4.034 . 0 0 "[ . 1 . 2]" 1
1297 1 64 LEU HB2 1 67 GLN QE 5.040 . 5.540 4.543 4.510 4.597 . 0 0 "[ . 1 . 2]" 1
1298 1 64 LEU HB3 1 65 LYS H 3.730 . 4.230 3.556 3.439 3.676 . 0 0 "[ . 1 . 2]" 1
1299 1 64 LEU HB3 1 65 LYS HA 4.790 . 5.290 4.327 4.232 4.398 . 0 0 "[ . 1 . 2]" 1
1300 1 64 LEU HB3 1 67 GLN H 5.320 . 5.820 5.160 5.011 5.287 . 0 0 "[ . 1 . 2]" 1
1301 1 64 LEU HB3 1 67 GLN QE 4.750 . 5.250 3.592 3.310 3.806 . 0 0 "[ . 1 . 2]" 1
1302 1 64 LEU MD1 1 67 GLN QE 7.020 . 7.520 4.632 4.311 4.929 . 0 0 "[ . 1 . 2]" 1
1303 1 64 LEU MD1 1 68 GLN QB 7.200 . 7.700 4.994 4.533 5.181 . 0 0 "[ . 1 . 2]" 1
1304 1 64 LEU MD1 1 68 GLN QE 6.790 . 7.290 4.422 2.925 5.076 . 0 0 "[ . 1 . 2]" 1
1305 1 64 LEU MD1 1 68 GLN QG 5.610 . 6.110 3.999 3.783 4.123 . 0 0 "[ . 1 . 2]" 1
1306 1 64 LEU MD2 1 67 GLN H 6.610 . 7.110 5.515 5.329 5.585 . 0 0 "[ . 1 . 2]" 1
1307 1 64 LEU MD2 1 67 GLN QE 4.660 . 5.160 2.792 2.234 3.165 . 0 0 "[ . 1 . 2]" 1
1308 1 64 LEU MD2 1 67 GLN HE22 5.010 . 5.510 3.283 3.005 3.702 . 0 0 "[ . 1 . 2]" 1
1309 1 64 LEU MD2 1 68 GLN QB 7.200 . 7.700 5.348 4.272 5.448 . 0 0 "[ . 1 . 2]" 1
1310 1 64 LEU MD2 1 68 GLN QG 5.970 . 6.470 3.921 3.806 4.452 . 0 0 "[ . 1 . 2]" 1
1311 1 64 LEU HG 1 65 LYS H 4.440 . 4.940 3.992 3.951 4.047 . 0 0 "[ . 1 . 2]" 1
1312 1 65 LYS H 1 65 LYS HA 2.850 . 3.350 2.806 2.785 2.838 . 0 0 "[ . 1 . 2]" 1
1313 1 65 LYS H 1 65 LYS HB2 3.630 . 4.130 3.568 3.541 3.599 . 0 0 "[ . 1 . 2]" 1
1314 1 65 LYS H 1 65 LYS HB3 2.650 . 3.150 2.308 2.254 2.365 . 0 0 "[ . 1 . 2]" 1
1315 1 65 LYS H 1 65 LYS QD 4.800 . 5.300 3.821 3.626 4.071 . 0 0 "[ . 1 . 2]" 1
1316 1 65 LYS H 1 65 LYS QE 6.170 . 6.670 4.861 4.672 4.971 . 0 0 "[ . 1 . 2]" 1
1317 1 65 LYS H 1 65 LYS HG2 3.130 . 3.630 2.405 2.293 2.574 . 0 0 "[ . 1 . 2]" 1
1318 1 65 LYS H 1 65 LYS HG3 3.830 . 4.330 3.563 3.481 3.625 . 0 0 "[ . 1 . 2]" 1
1319 1 65 LYS H 1 68 GLN QB 5.160 . 5.660 4.244 4.092 4.637 . 0 0 "[ . 1 . 2]" 1
1320 1 65 LYS H 1 68 GLN QG 5.100 . 5.600 3.870 3.624 4.124 . 0 0 "[ . 1 . 2]" 1
1321 1 65 LYS HA 1 65 LYS HG2 3.960 . 4.460 3.761 3.685 3.845 . 0 0 "[ . 1 . 2]" 1
1322 1 65 LYS HA 1 65 LYS HG3 3.580 . 4.080 3.586 3.556 3.624 . 0 0 "[ . 1 . 2]" 1
1323 1 65 LYS HA 1 66 ALA HA 5.010 . 5.510 4.847 4.797 4.882 . 0 0 "[ . 1 . 2]" 1
1324 1 65 LYS HA 1 67 GLN H 4.190 . 4.690 3.398 3.311 3.515 . 0 0 "[ . 1 . 2]" 1
1325 1 65 LYS HA 1 68 GLN H 4.220 . 4.720 2.610 2.387 2.794 . 0 0 "[ . 1 . 2]" 1
1326 1 65 LYS HA 1 68 GLN HB2 4.740 . 5.240 2.118 1.855 4.689 . 0 0 "[ . 1 . 2]" 1
1327 1 65 LYS HA 1 68 GLN HB3 4.740 . 5.240 3.718 3.471 4.043 . 0 0 "[ . 1 . 2]" 1
1328 1 65 LYS HA 1 68 GLN QG 4.220 . 4.720 2.811 2.185 2.997 . 0 0 "[ . 1 . 2]" 1
1329 1 65 LYS HA 1 69 GLY H 5.180 . 5.680 2.759 2.338 2.914 . 0 0 "[ . 1 . 2]" 1
1330 1 65 LYS HA 1 69 GLY HA3 4.700 . 5.200 4.122 3.389 4.326 . 0 0 "[ . 1 . 2]" 1
1331 1 65 LYS HB2 1 65 LYS QD 3.590 . 4.090 2.799 2.725 2.896 . 0 0 "[ . 1 . 2]" 1
1332 1 65 LYS HB2 1 67 GLN H 5.500 . 6.000 5.083 5.021 5.159 . 0 0 "[ . 1 . 2]" 1
1333 1 65 LYS HB2 1 69 GLY HA3 4.750 . 5.250 3.678 3.194 4.026 . 0 0 "[ . 1 . 2]" 1
1334 1 65 LYS HB3 1 65 LYS QD 3.640 . 4.140 2.407 2.335 2.534 . 0 0 "[ . 1 . 2]" 1
1335 1 65 LYS HB3 1 66 ALA HA 5.500 . 6.000 5.666 5.634 5.705 . 0 0 "[ . 1 . 2]" 1
1336 1 65 LYS HB3 1 67 GLN H 5.500 . 6.000 5.415 5.312 5.514 . 0 0 "[ . 1 . 2]" 1
1337 1 65 LYS HB3 1 69 GLY H 4.900 . 5.400 4.790 4.621 4.920 . 0 0 "[ . 1 . 2]" 1
1338 1 65 LYS HB3 1 69 GLY HA3 5.500 . 6.000 5.150 4.621 5.526 . 0 0 "[ . 1 . 2]" 1
1339 1 65 LYS QD 1 66 ALA HA 6.170 . 6.670 5.068 4.918 5.180 . 0 0 "[ . 1 . 2]" 1
1340 1 65 LYS QD 2 1 A H2 6.730 . 7.230 3.618 3.146 4.143 . 0 0 "[ . 1 . 2]" 1
1341 1 65 LYS HG2 1 66 ALA H 3.610 . 4.110 2.845 2.603 2.997 . 0 0 "[ . 1 . 2]" 1
1342 1 65 LYS HG2 1 66 ALA HA 4.420 . 4.920 4.294 4.193 4.411 . 0 0 "[ . 1 . 2]" 1
1343 1 65 LYS HG2 1 66 ALA MB 4.920 . 5.420 3.919 3.761 4.074 . 0 0 "[ . 1 . 2]" 1
1344 1 65 LYS HG2 1 67 GLN H 5.500 . 6.000 5.147 4.936 5.313 . 0 0 "[ . 1 . 2]" 1
1345 1 65 LYS HG2 1 69 GLY H 5.500 . 6.000 5.548 5.493 5.586 . 0 0 "[ . 1 . 2]" 1
1346 1 65 LYS HG3 1 66 ALA H 3.660 . 4.160 2.927 2.814 3.035 . 0 0 "[ . 1 . 2]" 1
1347 1 65 LYS HG3 1 66 ALA HA 4.240 . 4.740 3.134 3.030 3.252 . 0 0 "[ . 1 . 2]" 1
1348 1 65 LYS HG3 1 66 ALA MB 4.580 . 5.080 3.741 3.595 3.846 . 0 0 "[ . 1 . 2]" 1
1349 1 65 LYS HG3 1 67 GLN H 4.690 . 5.190 4.663 4.554 4.706 . 0 0 "[ . 1 . 2]" 1
1350 1 65 LYS HG3 1 68 GLN H 5.070 . 5.570 4.794 4.660 5.081 . 0 0 "[ . 1 . 2]" 1
1351 1 65 LYS HG3 1 68 GLN QG 6.170 . 6.670 5.722 5.546 5.783 . 0 0 "[ . 1 . 2]" 1
1352 1 66 ALA H 1 66 ALA HA 2.900 . 3.400 2.794 2.769 2.827 . 0 0 "[ . 1 . 2]" 1
1353 1 66 ALA H 1 66 ALA MB 2.910 . 3.410 2.151 2.122 2.175 . 0 0 "[ . 1 . 2]" 1
1354 1 66 ALA H 1 67 GLN H 2.960 . 3.460 2.705 2.607 2.754 . 0 0 "[ . 1 . 2]" 1
1355 1 66 ALA H 1 68 GLN H 4.020 . 4.520 3.889 3.747 3.968 . 0 0 "[ . 1 . 2]" 1
1356 1 66 ALA HA 1 67 GLN HB3 5.500 . 6.000 5.242 5.094 5.308 . 0 0 "[ . 1 . 2]" 1
1357 1 66 ALA HA 1 67 GLN QG 6.170 . 6.670 5.252 4.721 5.623 . 0 0 "[ . 1 . 2]" 1
1358 1 66 ALA HA 1 68 GLN H 4.810 . 5.310 4.290 4.125 4.677 . 0 0 "[ . 1 . 2]" 1
1359 1 66 ALA HA 1 70 PRO HA 4.250 . 4.750 3.308 2.585 3.961 . 0 0 "[ . 1 . 2]" 1
1360 1 66 ALA HA 1 70 PRO QG 5.230 . 5.730 4.249 3.289 4.668 . 0 0 "[ . 1 . 2]" 1
1361 1 66 ALA MB 1 67 GLN H 3.520 . 4.020 2.948 2.891 3.005 . 0 0 "[ . 1 . 2]" 1
1362 1 66 ALA MB 1 67 GLN HB2 5.990 . 6.490 5.022 4.917 5.064 . 0 0 "[ . 1 . 2]" 1
1363 1 66 ALA MB 1 67 GLN HB3 4.680 . 5.180 3.765 3.520 3.886 . 0 0 "[ . 1 . 2]" 1
1364 1 66 ALA MB 1 67 GLN QE 6.010 . 6.510 3.417 2.378 4.474 . 0 0 "[ . 1 . 2]" 1
1365 1 66 ALA MB 1 67 GLN QG 5.760 . 6.260 3.572 2.708 4.064 . 0 0 "[ . 1 . 2]" 1
1366 1 66 ALA MB 1 68 GLN H 5.240 . 5.740 4.445 4.397 4.479 . 0 0 "[ . 1 . 2]" 1
1367 1 66 ALA MB 1 70 PRO HB3 6.320 . 6.820 4.277 3.634 5.289 . 0 0 "[ . 1 . 2]" 1
1368 1 67 GLN H 1 67 GLN HB2 3.950 . 4.450 3.857 3.808 3.917 . 0 0 "[ . 1 . 2]" 1
1369 1 67 GLN H 1 67 GLN HB3 3.630 . 4.130 3.385 3.089 3.510 . 0 0 "[ . 1 . 2]" 1
1370 1 67 GLN H 1 67 GLN QG 3.500 . 4.000 2.431 2.132 2.644 . 0 0 "[ . 1 . 2]" 1
1371 1 67 GLN H 1 68 GLN H 2.980 . 3.480 1.934 1.764 2.053 0.036 4 0 "[ . 1 . 2]" 1
1372 1 67 GLN H 1 68 GLN QB 4.730 . 5.230 3.927 3.403 4.254 . 0 0 "[ . 1 . 2]" 1
1373 1 67 GLN HA 1 67 GLN HB2 2.860 . 3.360 2.501 2.376 2.566 . 0 0 "[ . 1 . 2]" 1
1374 1 67 GLN HA 1 67 GLN HB3 2.760 . 3.260 2.402 2.300 2.552 . 0 0 "[ . 1 . 2]" 1
1375 1 67 GLN HA 1 68 GLN H 3.520 . 4.020 3.166 3.045 3.442 . 0 0 "[ . 1 . 2]" 1
1376 1 67 GLN HA 1 69 GLY H 5.160 . 5.660 4.115 3.786 4.463 . 0 0 "[ . 1 . 2]" 1
1377 1 68 GLN H 1 68 GLN HB2 3.740 . 4.240 2.805 2.636 3.789 . 0 0 "[ . 1 . 2]" 1
1378 1 68 GLN H 1 68 GLN QB 3.230 . 3.730 2.687 2.585 2.844 . 0 0 "[ . 1 . 2]" 1
1379 1 68 GLN H 1 68 GLN HB3 3.740 . 4.240 3.750 2.643 3.868 . 0 0 "[ . 1 . 2]" 1
1380 1 68 GLN H 1 68 GLN QG 3.420 . 3.920 2.649 2.297 3.136 . 0 0 "[ . 1 . 2]" 1
1381 1 68 GLN QB 1 69 GLY H 3.850 . 4.350 3.017 2.719 3.562 . 0 0 "[ . 1 . 2]" 1
1382 1 68 GLN QG 1 69 GLY H 4.370 . 4.870 3.895 2.995 3.967 . 0 0 "[ . 1 . 2]" 1
1383 1 69 GLY H 1 70 PRO QD 4.150 . 4.650 2.133 1.909 2.409 . 0 0 "[ . 1 . 2]" 1
1384 1 69 GLY H 1 70 PRO QG 5.700 . 6.200 4.031 3.433 4.423 . 0 0 "[ . 1 . 2]" 1
1385 1 69 GLY HA2 1 70 PRO QD 2.910 . 3.410 2.236 2.078 2.343 . 0 0 "[ . 1 . 2]" 1
1386 1 69 GLY HA2 1 70 PRO QG 4.590 . 5.090 4.106 3.957 4.169 . 0 0 "[ . 1 . 2]" 1
1387 1 70 PRO HB2 1 71 SER H 4.090 . 4.590 3.854 2.815 4.143 . 0 0 "[ . 1 . 2]" 1
1388 1 70 PRO QD 1 71 SER H 4.190 . 4.690 2.941 2.686 3.214 . 0 0 "[ . 1 . 2]" 1
1389 1 71 SER H 1 71 SER HA 2.870 . 3.370 2.757 2.244 2.945 . 0 0 "[ . 1 . 2]" 1
1390 1 71 SER H 1 71 SER QB 3.410 . 3.910 2.722 2.438 3.180 . 0 0 "[ . 1 . 2]" 1
1391 1 71 SER H 1 72 ALA MB 6.300 . 6.800 4.859 4.461 5.278 . 0 0 "[ . 1 . 2]" 1
1392 1 71 SER HA 1 72 ALA H 2.860 . 3.360 2.519 2.151 2.935 . 0 0 "[ . 1 . 2]" 1
1393 1 71 SER HA 1 72 ALA MB 5.200 . 5.700 3.967 3.791 4.410 . 0 0 "[ . 1 . 2]" 1
1394 1 71 SER QB 1 72 ALA H 4.400 . 4.900 2.817 1.951 3.746 . 0 0 "[ . 1 . 2]" 1
1395 1 71 SER QB 1 73 GLN H 5.620 . 6.120 3.670 2.376 5.103 . 0 0 "[ . 1 . 2]" 1
1396 1 72 ALA H 1 72 ALA MB 3.430 . 3.930 2.684 2.581 2.821 . 0 0 "[ . 1 . 2]" 1
1397 1 72 ALA H 1 73 GLN QB 5.790 . 6.290 4.230 3.309 5.164 . 0 0 "[ . 1 . 2]" 1
1398 1 72 ALA HA 1 73 GLN H 3.360 . 3.860 3.086 2.169 3.343 . 0 0 "[ . 1 . 2]" 1
1399 1 72 ALA MB 1 73 GLN H 4.470 . 4.970 3.471 2.960 3.724 . 0 0 "[ . 1 . 2]" 1
1400 1 73 GLN H 1 73 GLN QB 3.460 . 3.960 2.727 2.162 3.290 . 0 0 "[ . 1 . 2]" 1
1401 1 73 GLN H 1 73 GLN QG 4.660 . 5.160 3.110 2.013 4.131 . 0 0 "[ . 1 . 2]" 1
1402 1 73 GLN HA 1 74 GLY H 3.110 . 3.610 2.759 2.263 3.227 . 0 0 "[ . 1 . 2]" 1
1403 2 1 A H1' 2 1 A H2' 3.200 . 3.700 3.029 3.007 3.049 . 0 0 "[ . 1 . 2]" 1
1404 2 1 A H1' 2 1 A H3' 4.000 . 4.500 3.650 3.498 3.802 . 0 0 "[ . 1 . 2]" 1
1405 2 1 A H1' 2 1 A H4' 3.200 . 3.700 3.125 3.041 3.204 . 0 0 "[ . 1 . 2]" 1
1406 2 1 A H1' 2 1 A Q5' 5.610 . 6.110 3.924 3.851 4.008 . 0 0 "[ . 1 . 2]" 1
1407 2 1 A H1' 2 1 A H8 2.800 . 3.300 2.462 2.359 2.500 . 0 0 "[ . 1 . 2]" 1
1408 2 1 A H1' 2 2 G H8 5.000 . 5.500 4.089 3.944 4.436 . 0 0 "[ . 1 . 2]" 1
1409 2 1 A H2 2 1 A Q5' 5.610 . 6.110 4.107 3.842 4.563 . 0 0 "[ . 1 . 2]" 1
1410 2 1 A H2' 2 1 A H4' 4.000 . 4.500 3.766 3.722 3.852 . 0 0 "[ . 1 . 2]" 1
1411 2 1 A H2' 2 1 A Q5' 4.490 . 4.990 2.360 2.174 2.702 . 0 0 "[ . 1 . 2]" 1
1412 2 1 A H2' 2 1 A H8 5.000 . 5.500 4.451 4.306 4.547 . 0 0 "[ . 1 . 2]" 1
1413 2 1 A H3' 2 1 A Q5' 4.490 . 4.990 2.209 2.077 2.642 . 0 0 "[ . 1 . 2]" 1
1414 2 1 A H3' 2 1 A H8 6.000 . 6.500 5.847 5.563 5.947 . 0 0 "[ . 1 . 2]" 1
1415 2 1 A H4' 2 1 A Q5' 3.140 . 3.640 2.425 2.396 2.464 . 0 0 "[ . 1 . 2]" 1
1416 2 1 A H4' 2 1 A H8 5.500 . 6.000 5.483 5.367 5.539 . 0 0 "[ . 1 . 2]" 1
1417 2 1 A H4' 2 2 G H8 5.500 . 6.000 5.642 5.571 5.786 . 0 0 "[ . 1 . 2]" 1
1418 2 1 A Q5' 2 1 A H8 6.730 . 7.230 5.633 5.505 5.687 . 0 0 "[ . 1 . 2]" 1
1419 2 1 A H8 2 2 G H8 5.000 . 5.500 5.114 5.052 5.218 . 0 0 "[ . 1 . 2]" 1
1420 2 2 G H1' 2 2 G H8 4.000 . 4.500 3.968 3.948 3.999 . 0 0 "[ . 1 . 2]" 1
1421 2 2 G H1' 2 3 G H1' 5.000 . 5.500 4.738 4.011 5.058 . 0 0 "[ . 1 . 2]" 1
1422 2 2 G H2' 2 2 G H8 5.000 . 5.500 3.143 2.625 3.421 . 0 0 "[ . 1 . 2]" 1
1423 2 2 G H3' 2 2 G H8 . . 3.300 2.585 2.137 2.922 . 0 0 "[ . 1 . 2]" 1
1424 2 2 G H4' 2 2 G H8 5.500 . 6.000 4.439 4.324 4.584 . 0 0 "[ . 1 . 2]" 1
1425 2 3 G H1' 2 3 G H2' 3.200 . 3.700 3.039 2.998 3.057 . 0 0 "[ . 1 . 2]" 1
1426 2 3 G H1' 2 3 G H3' 4.000 . 4.500 3.780 3.675 3.943 . 0 0 "[ . 1 . 2]" 1
1427 2 3 G H1' 2 3 G H4' 4.000 . 4.500 3.043 2.780 3.362 . 0 0 "[ . 1 . 2]" 1
1428 2 3 G H1' 2 3 G Q5' 6.730 . 7.230 4.050 3.968 4.119 . 0 0 "[ . 1 . 2]" 1
1429 2 3 G H1' 2 3 G H8 2.800 . 3.300 2.537 2.497 2.587 . 0 0 "[ . 1 . 2]" 1
1430 2 3 G H1' 2 4 A H8 5.000 . 5.500 4.285 2.722 5.047 . 0 0 "[ . 1 . 2]" 1
1431 2 3 G H2' 2 3 G Q5' 6.170 . 6.670 2.793 2.370 3.095 . 0 0 "[ . 1 . 2]" 1
1432 2 3 G H2' 2 3 G H8 4.500 . 5.000 4.450 4.272 4.555 . 0 0 "[ . 1 . 2]" 1
1433 2 3 G H2' 2 4 A H8 5.000 . 5.500 4.247 2.544 4.843 . 0 0 "[ . 1 . 2]" 1
1434 2 3 G H3' 2 3 G H8 6.000 . 6.500 6.013 5.950 6.057 . 0 0 "[ . 1 . 2]" 1
1435 2 3 G H4' 2 3 G Q5' 4.490 . 4.990 2.417 2.337 2.528 . 0 0 "[ . 1 . 2]" 1
1436 2 3 G H4' 2 3 G H8 6.000 . 6.500 5.429 5.175 5.700 . 0 0 "[ . 1 . 2]" 1
1437 2 4 A H1' 2 4 A H2' 3.000 . 3.500 2.994 2.950 3.026 . 0 0 "[ . 1 . 2]" 1
1438 2 4 A H1' 2 4 A H3' 4.000 . 4.500 3.931 3.831 4.012 . 0 0 "[ . 1 . 2]" 1
1439 2 4 A H1' 2 4 A H4' 4.000 . 4.500 3.576 3.266 3.762 . 0 0 "[ . 1 . 2]" 1
1440 2 4 A H1' 2 4 A Q5' 6.170 . 6.670 4.008 3.728 4.290 . 0 0 "[ . 1 . 2]" 1
1441 2 4 A H1' 2 4 A H8 4.000 . 4.500 3.880 3.840 3.915 . 0 0 "[ . 1 . 2]" 1
1442 2 4 A H1' 2 5 G H8 4.000 . 4.500 3.498 3.063 4.025 . 0 0 "[ . 1 . 2]" 1
1443 2 4 A H2' 2 4 A Q5' 5.610 . 6.110 2.778 2.105 3.521 . 0 0 "[ . 1 . 2]" 1
1444 2 4 A H2' 2 4 A H8 2.800 . 3.300 2.471 2.076 2.881 . 0 0 "[ . 1 . 2]" 1
1445 2 4 A H3' 2 4 A H4' 3.200 . 3.700 2.730 2.664 2.772 . 0 0 "[ . 1 . 2]" 1
1446 2 4 A H3' 2 4 A Q5' 3.590 . 4.090 2.324 2.062 2.820 . 0 0 "[ . 1 . 2]" 1
1447 2 4 A H3' 2 4 A H8 4.000 . 4.500 4.125 4.046 4.194 . 0 0 "[ . 1 . 2]" 1
1448 2 4 A H3' 2 5 G H8 6.000 . 6.500 4.560 4.186 5.055 . 0 0 "[ . 1 . 2]" 1
1449 2 4 A H4' 2 4 A Q5' 3.140 . 3.640 2.350 2.128 2.495 . 0 0 "[ . 1 . 2]" 1
1450 2 4 A H4' 2 4 A H8 5.500 . 6.000 4.492 4.160 4.864 . 0 0 "[ . 1 . 2]" 1
1451 2 4 A H4' 2 5 G H8 4.000 . 4.500 3.242 2.499 3.848 . 0 0 "[ . 1 . 2]" 1
1452 2 4 A Q5' 2 4 A H8 6.170 . 6.670 2.401 1.857 3.850 . 0 0 "[ . 1 . 2]" 1
1453 2 5 G H1' 2 5 G H2' 3.000 . 3.500 3.029 3.014 3.043 . 0 0 "[ . 1 . 2]" 1
1454 2 5 G H1' 2 5 G H3' 4.000 . 4.500 3.796 3.686 3.899 . 0 0 "[ . 1 . 2]" 1
1455 2 5 G H1' 2 5 G H4' 3.200 . 3.700 3.260 3.022 3.470 . 0 0 "[ . 1 . 2]" 1
1456 2 5 G H1' 2 5 G Q5' 6.730 . 7.230 4.146 3.834 4.280 . 0 0 "[ . 1 . 2]" 1
1457 2 5 G H1' 2 5 G H8 4.000 . 4.500 3.905 3.885 3.932 . 0 0 "[ . 1 . 2]" 1
1458 2 5 G H2' 2 5 G Q5' 4.490 . 4.990 3.152 1.972 3.725 . 0 0 "[ . 1 . 2]" 1
1459 2 5 G H2' 2 5 G H8 3.200 . 3.700 2.231 2.077 2.398 . 0 0 "[ . 1 . 2]" 1
1460 2 5 G H3' 2 5 G H8 4.500 . 5.000 4.352 4.064 4.577 . 0 0 "[ . 1 . 2]" 1
1461 2 5 G H4' 2 5 G Q5' 3.590 . 4.090 2.247 2.176 2.419 . 0 0 "[ . 1 . 2]" 1
1462 2 5 G H4' 2 5 G H8 5.000 . 5.500 4.915 4.651 5.046 . 0 0 "[ . 1 . 2]" 1
1463 2 5 G H5' 2 5 G H8 6.000 . 6.500 4.256 3.734 4.693 . 0 0 "[ . 1 . 2]" 1
1464 2 6 A H1' 2 6 A H2 6.000 . 6.500 4.830 4.455 5.264 . 0 0 "[ . 1 . 2]" 1
1465 2 6 A H1' 2 6 A H2' 3.000 . 3.500 3.029 3.018 3.044 . 0 0 "[ . 1 . 2]" 1
1466 2 6 A H1' 2 6 A H3' 4.000 . 4.500 3.708 3.618 3.792 . 0 0 "[ . 1 . 2]" 1
1467 2 6 A H1' 2 6 A H4' 3.200 . 3.700 3.201 2.925 3.363 . 0 0 "[ . 1 . 2]" 1
1468 2 6 A H1' 2 6 A H5' 5.500 . 6.000 4.699 4.136 4.876 . 0 0 "[ . 1 . 2]" 1
1469 2 6 A H1' 2 6 A H5'' 5.500 . 6.000 4.295 4.104 4.747 . 0 0 "[ . 1 . 2]" 1
1470 2 6 A H1' 2 6 A H8 4.000 . 4.500 3.682 3.398 3.920 . 0 0 "[ . 1 . 2]" 1
1471 2 6 A H1' 2 7 U H5 6.000 . 6.500 3.651 2.231 5.415 . 0 0 "[ . 1 . 2]" 1
1472 2 6 A H1' 2 7 U H5'' 6.000 . 6.500 4.214 2.102 6.030 . 0 0 "[ . 1 . 2]" 1
1473 2 6 A H1' 2 7 U H6 6.000 . 6.500 2.831 2.070 5.500 . 0 0 "[ . 1 . 2]" 1
1474 2 6 A H2 2 7 U H1' 5.500 . 6.000 4.649 3.677 5.472 . 0 0 "[ . 1 . 2]" 1
1475 2 6 A H2' 2 6 A H4' 4.000 . 4.500 3.755 3.684 3.837 . 0 0 "[ . 1 . 2]" 1
1476 2 6 A H2' 2 6 A H5' 5.000 . 5.500 3.256 2.261 4.054 . 0 0 "[ . 1 . 2]" 1
1477 2 6 A H2' 2 6 A H5'' 5.000 . 5.500 2.712 2.076 4.123 . 0 0 "[ . 1 . 2]" 1
1478 2 6 A H2' 2 6 A H8 4.000 . 4.500 2.488 2.104 3.459 . 0 0 "[ . 1 . 2]" 1
1479 2 6 A H2' 2 7 U H6 5.000 . 5.500 4.793 2.820 5.104 . 0 0 "[ . 1 . 2]" 1
1480 2 6 A H3' 2 6 A H4' 3.200 . 3.700 2.752 2.713 2.818 . 0 0 "[ . 1 . 2]" 1
1481 2 6 A H3' 2 6 A H5' 3.200 . 3.700 2.402 2.190 3.436 . 0 0 "[ . 1 . 2]" 1
1482 2 6 A H3' 2 6 A Q5' 4.490 . 4.990 2.243 2.120 2.692 . 0 0 "[ . 1 . 2]" 1
1483 2 6 A H3' 2 6 A H8 5.000 . 5.500 4.689 4.458 5.092 . 0 0 "[ . 1 . 2]" 1
1484 2 6 A H3' 2 7 U H6 5.500 . 6.000 4.993 3.529 5.587 . 0 0 "[ . 1 . 2]" 1
1485 2 6 A H4' 2 6 A Q5' 3.590 . 4.090 2.407 2.191 2.502 . 0 0 "[ . 1 . 2]" 1
1486 2 6 A H4' 2 6 A H8 6.000 . 6.500 5.326 4.508 5.778 . 0 0 "[ . 1 . 2]" 1
1487 2 6 A H4' 2 7 U H6 6.000 . 6.500 4.837 3.398 6.028 . 0 0 "[ . 1 . 2]" 1
1488 2 6 A H5' 2 6 A H8 6.000 . 6.500 5.039 2.610 6.032 . 0 0 "[ . 1 . 2]" 1
1489 2 6 A H5'' 2 6 A H8 6.000 . 6.500 4.108 2.862 6.016 . 0 0 "[ . 1 . 2]" 1
1490 2 6 A H8 2 7 U H5 6.000 . 6.500 4.697 3.581 6.057 . 0 0 "[ . 1 . 2]" 1
1491 2 7 U H1' 2 7 U H2' 4.000 . 4.500 3.001 2.696 3.042 . 0 0 "[ . 1 . 2]" 1
1492 2 7 U H1' 2 7 U H3' 4.000 . 4.500 3.846 3.743 3.985 . 0 0 "[ . 1 . 2]" 1
1493 2 7 U H1' 2 7 U H4' 4.000 . 4.500 3.552 3.337 3.963 . 0 0 "[ . 1 . 2]" 1
1494 2 7 U H1' 2 7 U H5'' 6.000 . 6.500 4.316 4.010 5.075 . 0 0 "[ . 1 . 2]" 1
1495 2 7 U H1' 2 7 U H6 5.500 . 6.000 3.688 3.410 3.761 . 0 0 "[ . 1 . 2]" 1
1496 2 7 U H2' 2 7 U H6 4.000 . 4.500 2.372 1.854 3.267 . 0 0 "[ . 1 . 2]" 1
1497 2 7 U H4' 2 7 U H5'' 3.200 . 3.700 2.831 2.276 3.062 . 0 0 "[ . 1 . 2]" 1
1498 2 7 U H5 2 7 U H5'' 6.000 . 6.500 4.821 4.088 6.096 . 0 0 "[ . 1 . 2]" 1
1499 2 7 U H5 2 7 U H6 2.800 . 3.300 2.413 2.395 2.429 . 0 0 "[ . 1 . 2]" 1
1500 2 7 U H5' 2 7 U H5'' 2.800 . 3.300 1.776 1.766 1.784 0.034 18 0 "[ . 1 . 2]" 1
1501 2 7 U H5'' 2 7 U H6 6.000 . 6.500 2.744 1.924 4.613 . 0 0 "[ . 1 . 2]" 1
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