NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534678 |
2la1   |
6915 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2la1
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 690
_Distance_constraint_stats_list.Viol_count 1723
_Distance_constraint_stats_list.Viol_total 3242.115
_Distance_constraint_stats_list.Viol_max 0.590
_Distance_constraint_stats_list.Viol_rms 0.0407
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0941
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 8.877 0.266 7 0 "[ . 1 . 2]"
1 2 ILE 6.639 0.302 7 0 "[ . 1 . 2]"
1 3 CYS 12.143 0.302 7 0 "[ . 1 . 2]"
1 4 TYR 4.567 0.221 8 0 "[ . 1 . 2]"
1 5 ASN 3.828 0.208 5 0 "[ . 1 . 2]"
1 6 HIS 9.275 0.328 8 0 "[ . 1 . 2]"
1 7 LEU 2.773 0.328 8 0 "[ . 1 . 2]"
1 8 GLY 3.367 0.213 13 0 "[ . 1 . 2]"
1 9 THR 0.015 0.015 6 0 "[ . 1 . 2]"
1 10 LYS 1.505 0.196 11 0 "[ . 1 . 2]"
1 11 PRO 1.847 0.289 11 0 "[ . 1 . 2]"
1 12 PRO 5.502 0.466 6 0 "[ . 1 . 2]"
1 13 THR 5.843 0.466 6 0 "[ . 1 . 2]"
1 14 THR 3.990 0.181 3 0 "[ . 1 . 2]"
1 15 GLU 0.710 0.091 4 0 "[ . 1 . 2]"
1 16 THR 3.374 0.256 2 0 "[ . 1 . 2]"
1 17 CYS 0.587 0.108 10 0 "[ . 1 . 2]"
1 18 GLN 9.044 0.310 10 0 "[ . 1 . 2]"
1 19 GLU 15.999 0.310 10 0 "[ . 1 . 2]"
1 20 ASP 5.623 0.227 8 0 "[ . 1 . 2]"
1 21 SER 4.011 0.177 1 0 "[ . 1 . 2]"
1 22 CYS 7.708 0.305 3 0 "[ . 1 . 2]"
1 23 TYR 6.961 0.228 10 0 "[ . 1 . 2]"
1 24 LYS 13.570 0.368 14 0 "[ . 1 . 2]"
1 25 ASN 5.696 0.368 14 0 "[ . 1 . 2]"
1 26 ILE 1.694 0.322 8 0 "[ . 1 . 2]"
1 27 TRP 4.792 0.322 8 0 "[ . 1 . 2]"
1 28 THR 4.414 0.487 16 0 "[ . 1 . 2]"
1 29 PHE 0.339 0.166 5 0 "[ . 1 . 2]"
1 30 ASP 2.126 0.487 16 0 "[ . 1 . 2]"
1 31 ASN 0.190 0.166 5 0 "[ . 1 . 2]"
1 32 ILE 1.705 0.221 17 0 "[ . 1 . 2]"
1 33 ILE 4.195 0.221 17 0 "[ . 1 . 2]"
1 34 ARG 9.259 0.213 13 0 "[ . 1 . 2]"
1 35 ARG 13.420 0.590 18 4 "[ * . 1- *. + 2]"
1 36 GLY 3.363 0.197 13 0 "[ . 1 . 2]"
1 37 CYS 2.872 0.158 1 0 "[ . 1 . 2]"
1 38 GLY 10.044 0.422 15 0 "[ . 1 . 2]"
1 39 CYS 10.771 0.233 8 0 "[ . 1 . 2]"
1 40 PHE 6.379 0.342 8 0 "[ . 1 . 2]"
1 41 THR 5.631 0.246 15 0 "[ . 1 . 2]"
1 42 PRO 6.133 0.246 15 0 "[ . 1 . 2]"
1 43 ARG 2.570 0.148 15 0 "[ . 1 . 2]"
1 44 GLY 1.962 0.163 19 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 MET 2.136 0.141 15 0 "[ . 1 . 2]"
1 47 PRO 5.074 0.189 14 0 "[ . 1 . 2]"
1 48 GLY 3.513 0.164 8 0 "[ . 1 . 2]"
1 49 PRO 4.573 0.342 8 0 "[ . 1 . 2]"
1 50 TYR 1.032 0.154 2 0 "[ . 1 . 2]"
1 51 CYS 13.236 0.422 15 0 "[ . 1 . 2]"
1 52 CYS 10.005 0.261 1 0 "[ . 1 . 2]"
1 53 GLU 7.241 0.261 1 0 "[ . 1 . 2]"
1 54 SER 4.503 0.178 2 0 "[ . 1 . 2]"
1 55 ASP 3.423 0.266 7 0 "[ . 1 . 2]"
1 56 LYS 3.938 0.251 11 0 "[ . 1 . 2]"
1 57 CYS 2.620 0.178 2 0 "[ . 1 . 2]"
1 58 ASN 14.371 0.228 10 0 "[ . 1 . 2]"
1 59 LEU 5.874 0.590 18 4 "[ * . 1- *. + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ARG H1 1 1 ARG HA 2.700 . 3.600 2.658 2.245 2.965 . 0 0 "[ . 1 . 2]" 1
2 1 1 ARG H1 1 2 ILE H 4.100 2.300 6.000 4.293 3.763 4.641 . 0 0 "[ . 1 . 2]" 1
3 1 1 ARG HA 1 2 ILE H 2.700 . 3.600 2.987 2.327 3.578 . 0 0 "[ . 1 . 2]" 1
4 1 1 ARG HA 1 18 GLN HE22 3.400 . 5.000 5.099 5.024 5.147 0.147 2 0 "[ . 1 . 2]" 1
5 1 1 ARG QB 1 2 ILE H 2.700 . 4.100 2.302 1.734 3.369 0.066 4 0 "[ . 1 . 2]" 1
6 1 1 ARG QB 1 55 ASP HA 3.400 . 5.500 4.234 3.824 4.660 . 0 0 "[ . 1 . 2]" 1
7 1 1 ARG HD2 1 2 ILE H 3.400 . 5.000 3.664 1.822 4.515 . 0 0 "[ . 1 . 2]" 1
8 1 1 ARG HD2 1 54 SER H 4.100 2.300 6.000 5.088 4.035 5.968 . 0 0 "[ . 1 . 2]" 1
9 1 1 ARG HD2 1 55 ASP H 4.100 2.300 6.000 4.460 2.929 5.404 . 0 0 "[ . 1 . 2]" 1
10 1 1 ARG HD2 1 56 LYS H 4.100 2.300 6.000 5.695 4.270 6.152 0.152 18 0 "[ . 1 . 2]" 1
11 1 1 ARG HD3 1 2 ILE H 3.400 . 5.000 3.428 1.990 4.342 . 0 0 "[ . 1 . 2]" 1
12 1 1 ARG HD3 1 54 SER H 3.400 . 5.000 4.699 3.834 5.121 0.121 2 0 "[ . 1 . 2]" 1
13 1 1 ARG HD3 1 55 ASP H 4.100 2.300 6.000 3.476 2.784 4.549 . 0 0 "[ . 1 . 2]" 1
14 1 1 ARG HE 1 2 ILE H 4.100 2.300 6.000 5.019 4.480 5.809 . 0 0 "[ . 1 . 2]" 1
15 1 1 ARG HE 1 20 ASP HB2 2.700 . 3.600 3.655 3.429 3.736 0.136 18 0 "[ . 1 . 2]" 1
16 1 1 ARG HE 1 20 ASP HB3 2.700 . 3.600 3.597 2.912 3.744 0.144 12 0 "[ . 1 . 2]" 1
17 1 1 ARG HE 1 54 SER HB2 3.400 . 5.000 4.916 4.590 5.067 0.067 11 0 "[ . 1 . 2]" 1
18 1 1 ARG HE 1 54 SER HB3 3.400 . 5.000 4.670 4.244 5.154 0.154 18 0 "[ . 1 . 2]" 1
19 1 1 ARG HE 1 55 ASP HB3 3.400 . 5.000 5.073 4.931 5.189 0.189 13 0 "[ . 1 . 2]" 1
20 1 1 ARG QG 1 55 ASP HA 4.100 2.300 6.500 3.342 2.034 4.915 0.266 7 0 "[ . 1 . 2]" 1
21 1 1 ARG O 1 17 CYS H 2.000 . 2.500 1.889 1.504 2.314 . 0 0 "[ . 1 . 2]" 1
22 1 2 ILE H 1 2 ILE HA 2.700 . 3.600 2.980 2.949 3.003 . 0 0 "[ . 1 . 2]" 1
23 1 2 ILE H 1 2 ILE HB 3.400 . 5.000 2.639 2.338 2.988 . 0 0 "[ . 1 . 2]" 1
24 1 2 ILE H 1 3 CYS H 4.100 2.300 6.000 4.320 4.079 4.523 . 0 0 "[ . 1 . 2]" 1
25 1 2 ILE H 1 17 CYS H 4.100 2.300 6.000 4.619 4.301 5.135 . 0 0 "[ . 1 . 2]" 1
26 1 2 ILE H 1 55 ASP HB2 4.100 2.300 6.000 4.223 2.545 5.236 . 0 0 "[ . 1 . 2]" 1
27 1 2 ILE H 1 56 LYS H 3.400 . 5.000 4.441 3.871 4.838 . 0 0 "[ . 1 . 2]" 1
28 1 2 ILE HA 1 3 CYS H 2.700 . 3.600 2.205 2.176 2.284 . 0 0 "[ . 1 . 2]" 1
29 1 2 ILE HA 1 16 THR HA 2.700 . 3.600 1.916 1.785 2.313 0.015 9 0 "[ . 1 . 2]" 1
30 1 2 ILE HA 1 17 CYS H 2.700 . 3.600 2.969 2.236 3.622 0.022 12 0 "[ . 1 . 2]" 1
31 1 2 ILE HB 1 3 CYS H 4.100 2.300 6.000 4.267 3.844 4.515 . 0 0 "[ . 1 . 2]" 1
32 1 2 ILE HB 1 55 ASP HA 3.400 . 5.000 3.943 3.497 4.587 . 0 0 "[ . 1 . 2]" 1
33 1 2 ILE HB 1 56 LYS H 2.700 . 3.600 3.666 3.594 3.768 0.168 18 0 "[ . 1 . 2]" 1
34 1 2 ILE MD 1 3 CYS H 4.100 2.300 6.500 5.111 4.765 5.395 . 0 0 "[ . 1 . 2]" 1
35 1 2 ILE MD 1 17 CYS H 4.100 2.300 6.500 5.114 4.116 5.464 . 0 0 "[ . 1 . 2]" 1
36 1 2 ILE HG12 1 3 CYS H 4.100 2.300 6.000 5.121 4.723 5.408 . 0 0 "[ . 1 . 2]" 1
37 1 2 ILE HG12 1 16 THR MG 3.400 . 5.500 2.287 1.721 3.027 0.079 9 0 "[ . 1 . 2]" 1
38 1 2 ILE HG13 1 3 CYS H 4.100 2.300 6.000 4.533 4.075 5.249 . 0 0 "[ . 1 . 2]" 1
39 1 2 ILE HG13 1 3 CYS HA 4.100 2.300 6.000 6.241 6.156 6.302 0.302 7 0 "[ . 1 . 2]" 1
40 1 2 ILE HG13 1 17 CYS H 4.100 2.300 6.000 4.320 3.766 5.249 . 0 0 "[ . 1 . 2]" 1
41 1 2 ILE MG 1 3 CYS H 2.700 . 4.100 2.793 2.323 3.367 . 0 0 "[ . 1 . 2]" 1
42 1 2 ILE MG 1 3 CYS HA 4.100 2.300 6.500 3.621 3.316 4.002 . 0 0 "[ . 1 . 2]" 1
43 1 2 ILE MG 1 4 TYR HA 3.400 . 5.500 4.523 4.301 4.608 . 0 0 "[ . 1 . 2]" 1
44 1 2 ILE MG 1 15 GLU H 2.700 . 4.100 3.100 2.733 3.329 . 0 0 "[ . 1 . 2]" 1
45 1 2 ILE MG 1 56 LYS H 3.400 . 5.500 3.364 2.499 4.182 . 0 0 "[ . 1 . 2]" 1
46 1 2 ILE O 1 56 LYS H 2.000 . 2.500 1.699 1.498 2.509 0.009 3 0 "[ . 1 . 2]" 1
47 1 3 CYS H 1 4 TYR H 3.400 . 5.000 4.489 4.380 4.560 . 0 0 "[ . 1 . 2]" 1
48 1 3 CYS H 1 14 THR HB 4.100 2.300 6.000 4.595 4.279 5.073 . 0 0 "[ . 1 . 2]" 1
49 1 3 CYS H 1 15 GLU H 3.400 . 5.000 3.396 2.881 4.064 . 0 0 "[ . 1 . 2]" 1
50 1 3 CYS H 1 15 GLU O 2.000 . 2.500 2.130 1.617 2.523 0.023 7 0 "[ . 1 . 2]" 1
51 1 3 CYS H 1 16 THR HA 2.300 . 2.800 2.930 2.870 3.056 0.256 2 0 "[ . 1 . 2]" 1
52 1 3 CYS H 1 17 CYS H 4.100 2.300 6.000 3.653 3.228 3.986 . 0 0 "[ . 1 . 2]" 1
53 1 3 CYS H 1 22 CYS HA 4.100 2.300 6.000 6.052 5.760 6.158 0.158 4 0 "[ . 1 . 2]" 1
54 1 3 CYS HA 1 4 TYR H 2.300 . 2.800 2.599 2.433 2.833 0.033 15 0 "[ . 1 . 2]" 1
55 1 3 CYS HA 1 4 TYR HB2 4.100 2.300 6.000 4.636 4.264 4.977 . 0 0 "[ . 1 . 2]" 1
56 1 3 CYS HA 1 4 TYR HB3 4.100 2.300 6.000 5.851 5.508 6.029 0.029 4 0 "[ . 1 . 2]" 1
57 1 3 CYS HA 1 14 THR HB 3.400 . 5.000 5.095 5.046 5.181 0.181 3 0 "[ . 1 . 2]" 1
58 1 3 CYS HA 1 14 THR MG 4.100 2.300 6.500 4.510 3.669 5.132 . 0 0 "[ . 1 . 2]" 1
59 1 3 CYS HA 1 22 CYS HB2 4.100 2.300 6.000 4.849 4.175 6.062 0.062 10 0 "[ . 1 . 2]" 1
60 1 3 CYS HA 1 22 CYS HB3 4.100 2.300 6.000 3.876 3.334 5.415 . 0 0 "[ . 1 . 2]" 1
61 1 3 CYS HA 1 37 CYS HA 4.100 2.300 6.000 5.224 4.818 5.760 . 0 0 "[ . 1 . 2]" 1
62 1 3 CYS HA 1 56 LYS H 3.400 . 5.000 2.050 1.832 2.554 . 0 0 "[ . 1 . 2]" 1
63 1 3 CYS HA 1 56 LYS HA 2.700 . 3.600 2.833 2.005 3.415 . 0 0 "[ . 1 . 2]" 1
64 1 3 CYS HA 1 56 LYS HG2 4.100 2.300 6.000 4.829 3.568 5.937 . 0 0 "[ . 1 . 2]" 1
65 1 3 CYS HA 1 58 ASN HD21 4.100 2.300 6.000 5.651 5.253 6.043 0.043 14 0 "[ . 1 . 2]" 1
66 1 3 CYS HA 1 58 ASN HD22 4.100 2.300 6.000 4.141 3.672 4.571 . 0 0 "[ . 1 . 2]" 1
67 1 3 CYS HB2 1 4 TYR H 3.400 . 5.000 3.493 3.034 3.878 . 0 0 "[ . 1 . 2]" 1
68 1 3 CYS HB2 1 22 CYS HA 4.100 2.300 6.000 3.624 3.255 4.121 . 0 0 "[ . 1 . 2]" 1
69 1 3 CYS HB2 1 22 CYS HB2 3.400 . 5.000 5.061 4.969 5.180 0.180 18 0 "[ . 1 . 2]" 1
70 1 3 CYS HB2 1 22 CYS HB3 3.400 . 5.000 3.658 3.399 4.696 . 0 0 "[ . 1 . 2]" 1
71 1 3 CYS HB2 1 56 LYS HA 4.100 2.300 6.000 5.499 4.760 6.022 0.022 6 0 "[ . 1 . 2]" 1
72 1 3 CYS HB3 1 4 TYR H 2.700 . 3.600 2.370 1.888 2.983 . 0 0 "[ . 1 . 2]" 1
73 1 3 CYS HB3 1 22 CYS HA 4.100 2.300 6.000 3.157 2.866 3.778 . 0 0 "[ . 1 . 2]" 1
74 1 3 CYS HB3 1 22 CYS HB2 4.100 2.300 6.000 3.870 3.476 5.823 . 0 0 "[ . 1 . 2]" 1
75 1 3 CYS HB3 1 22 CYS HB3 3.400 . 5.000 2.332 1.809 4.994 . 0 0 "[ . 1 . 2]" 1
76 1 3 CYS O 1 15 GLU H 2.000 . 2.500 1.747 1.472 2.310 0.028 2 0 "[ . 1 . 2]" 1
77 1 3 CYS SG 1 22 CYS SG 1.950 . 2.100 2.018 2.006 2.027 . 0 0 "[ . 1 . 2]" 1
78 1 4 TYR H 1 5 ASN H 4.100 2.300 6.000 4.600 4.533 4.649 . 0 0 "[ . 1 . 2]" 1
79 1 4 TYR H 1 14 THR MG 4.100 2.300 6.500 4.203 3.774 4.991 . 0 0 "[ . 1 . 2]" 1
80 1 4 TYR H 1 15 GLU H 4.100 2.300 6.000 4.650 4.344 5.151 . 0 0 "[ . 1 . 2]" 1
81 1 4 TYR H 1 35 ARG QB 4.100 2.300 6.500 3.480 2.832 4.573 . 0 0 "[ . 1 . 2]" 1
82 1 4 TYR H 1 56 LYS HA 2.700 . 3.600 3.131 2.411 3.538 . 0 0 "[ . 1 . 2]" 1
83 1 4 TYR H 1 58 ASN HD21 2.700 . 3.600 3.654 3.321 3.774 0.174 4 0 "[ . 1 . 2]" 1
84 1 4 TYR H 1 58 ASN HD22 2.700 . 3.300 2.252 1.855 2.624 . 0 0 "[ . 1 . 2]" 1
85 1 4 TYR H 1 58 ASN OD1 2.000 . 2.500 1.768 1.484 2.086 0.016 17 0 "[ . 1 . 2]" 1
86 1 4 TYR HA 1 5 ASN H 2.300 . 2.800 2.247 2.197 2.298 . 0 0 "[ . 1 . 2]" 1
87 1 4 TYR HA 1 6 HIS H 3.400 . 5.000 3.883 3.623 4.253 . 0 0 "[ . 1 . 2]" 1
88 1 4 TYR HA 1 14 THR HA 2.700 . 3.600 1.872 1.738 2.329 0.062 17 0 "[ . 1 . 2]" 1
89 1 4 TYR HA 1 14 THR HB 3.400 . 5.000 3.381 2.734 4.299 . 0 0 "[ . 1 . 2]" 1
90 1 4 TYR HA 1 14 THR MG 2.700 . 4.100 2.383 1.780 2.929 0.020 11 0 "[ . 1 . 2]" 1
91 1 4 TYR HA 1 15 GLU H 2.700 . 3.600 3.000 2.547 3.260 . 0 0 "[ . 1 . 2]" 1
92 1 4 TYR HB2 1 5 ASN H 4.100 2.300 6.000 4.211 3.986 4.395 . 0 0 "[ . 1 . 2]" 1
93 1 4 TYR HB2 1 6 HIS H 3.400 . 5.000 4.620 3.685 5.135 0.135 17 0 "[ . 1 . 2]" 1
94 1 4 TYR HB2 1 14 THR HA 4.100 2.300 6.000 4.682 4.457 5.086 . 0 0 "[ . 1 . 2]" 1
95 1 4 TYR HB2 1 58 ASN H 4.100 2.300 6.500 3.402 2.509 4.006 . 0 0 "[ . 1 . 2]" 1
96 1 4 TYR HB2 1 58 ASN HD21 4.100 2.300 6.000 3.854 3.323 4.488 . 0 0 "[ . 1 . 2]" 1
97 1 4 TYR HB2 1 58 ASN HD22 4.100 2.300 6.000 3.265 2.580 3.852 . 0 0 "[ . 1 . 2]" 1
98 1 4 TYR HB3 1 5 ASN H 3.400 . 5.000 3.092 2.726 3.571 . 0 0 "[ . 1 . 2]" 1
99 1 4 TYR HB3 1 6 HIS H 3.400 . 5.000 3.032 2.275 3.673 . 0 0 "[ . 1 . 2]" 1
100 1 4 TYR HB3 1 14 THR HA 3.400 . 5.000 4.012 3.350 4.499 . 0 0 "[ . 1 . 2]" 1
101 1 4 TYR QD 1 5 ASN H 3.400 . 5.500 3.274 2.603 4.030 . 0 0 "[ . 1 . 2]" 1
102 1 4 TYR QD 1 14 THR H 3.400 . 5.500 4.209 2.816 5.302 . 0 0 "[ . 1 . 2]" 1
103 1 4 TYR QD 1 58 ASN H 3.400 . 5.500 3.282 2.339 4.440 . 0 0 "[ . 1 . 2]" 1
104 1 4 TYR QE 1 58 ASN H 4.100 2.300 6.500 5.059 3.705 6.007 . 0 0 "[ . 1 . 2]" 1
105 1 4 TYR QE 1 59 LEU H 3.400 . 5.500 4.362 3.570 5.252 . 0 0 "[ . 1 . 2]" 1
106 1 4 TYR O 1 58 ASN HD22 2.000 . 2.500 2.605 2.456 2.721 0.221 8 0 "[ . 1 . 2]" 1
107 1 5 ASN H 1 5 ASN HA 2.700 . 3.600 2.983 2.974 2.994 . 0 0 "[ . 1 . 2]" 1
108 1 5 ASN H 1 6 HIS H 2.700 . 3.600 2.199 1.836 2.659 . 0 0 "[ . 1 . 2]" 1
109 1 5 ASN H 1 13 THR H 4.100 2.300 6.000 3.909 3.061 5.088 . 0 0 "[ . 1 . 2]" 1
110 1 5 ASN H 1 13 THR O 2.000 . 2.500 1.999 1.586 2.504 0.004 14 0 "[ . 1 . 2]" 1
111 1 5 ASN H 1 14 THR HA 2.700 . 3.600 2.127 1.743 3.119 0.057 7 0 "[ . 1 . 2]" 1
112 1 5 ASN HA 1 6 HIS H 3.400 . 5.000 3.330 2.987 3.586 . 0 0 "[ . 1 . 2]" 1
113 1 5 ASN HD21 1 15 GLU HG2 3.400 . 5.000 4.466 3.723 5.051 0.051 13 0 "[ . 1 . 2]" 1
114 1 5 ASN HD21 1 34 ARG HG2 3.400 . 5.000 4.321 3.962 5.181 0.181 13 0 "[ . 1 . 2]" 1
115 1 5 ASN HD22 1 13 THR H 4.100 2.300 6.000 6.095 6.007 6.208 0.208 5 0 "[ . 1 . 2]" 1
116 1 5 ASN HD22 1 15 GLU HG2 3.400 . 5.000 4.967 4.491 5.091 0.091 4 0 "[ . 1 . 2]" 1
117 1 5 ASN HD22 1 34 ARG HG2 3.400 . 5.000 5.009 4.737 5.168 0.168 17 0 "[ . 1 . 2]" 1
118 1 6 HIS H 1 6 HIS HA 2.700 . 3.600 2.833 2.771 2.899 . 0 0 "[ . 1 . 2]" 1
119 1 6 HIS H 1 7 LEU H 3.400 . 5.000 4.596 4.536 4.664 . 0 0 "[ . 1 . 2]" 1
120 1 6 HIS H 1 12 PRO HA 4.100 2.300 6.000 4.482 3.506 6.179 0.179 14 0 "[ . 1 . 2]" 1
121 1 6 HIS H 1 13 THR H 3.400 . 5.000 3.084 1.989 3.955 . 0 0 "[ . 1 . 2]" 1
122 1 6 HIS H 1 13 THR MG 3.400 . 5.500 4.326 4.044 4.558 . 0 0 "[ . 1 . 2]" 1
123 1 6 HIS H 1 35 ARG HB2 4.100 2.300 6.000 3.263 2.394 4.816 . 0 0 "[ . 1 . 2]" 1
124 1 6 HIS H 1 35 ARG HB3 3.400 . 5.000 4.555 3.753 5.173 0.173 10 0 "[ . 1 . 2]" 1
125 1 6 HIS H 1 35 ARG QG 4.100 2.300 6.500 4.792 2.043 5.767 0.257 3 0 "[ . 1 . 2]" 1
126 1 6 HIS H 1 59 LEU MD2 4.100 2.300 6.500 5.291 4.836 5.518 . 0 0 "[ . 1 . 2]" 1
127 1 6 HIS HA 1 7 LEU H 2.300 . 5.800 2.230 2.115 2.558 . 0 0 "[ . 1 . 2]" 1
128 1 6 HIS HA 1 7 LEU QD 3.400 . 5.500 3.090 2.218 3.695 . 0 0 "[ . 1 . 2]" 1
129 1 6 HIS HA 1 12 PRO HA 3.400 . 5.000 3.214 1.859 4.764 . 0 0 "[ . 1 . 2]" 1
130 1 6 HIS HA 1 12 PRO QB 3.400 . 5.500 3.128 1.681 3.846 0.119 4 0 "[ . 1 . 2]" 1
131 1 6 HIS HA 1 12 PRO HG2 4.100 2.300 6.000 5.074 2.106 6.314 0.314 6 0 "[ . 1 . 2]" 1
132 1 6 HIS HA 1 13 THR H 3.400 . 5.000 2.863 1.866 4.083 . 0 0 "[ . 1 . 2]" 1
133 1 6 HIS HB2 1 7 LEU H 2.700 . 3.600 3.686 3.102 3.928 0.328 8 0 "[ . 1 . 2]" 1
134 1 6 HIS HB2 1 13 THR H 2.700 . 3.600 2.676 1.799 3.652 0.052 4 0 "[ . 1 . 2]" 1
135 1 6 HIS HB3 1 7 LEU H 3.400 . 5.000 4.025 2.636 4.527 . 0 0 "[ . 1 . 2]" 1
136 1 6 HIS HB3 1 13 THR H 2.700 . 3.600 3.430 1.819 3.789 0.189 8 0 "[ . 1 . 2]" 1
137 1 6 HIS HD2 1 10 LYS H 3.400 . 5.500 5.035 3.757 5.612 0.112 6 0 "[ . 1 . 2]" 1
138 1 6 HIS O 1 35 ARG H 2.000 . 2.500 2.231 1.863 2.596 0.096 11 0 "[ . 1 . 2]" 1
139 1 7 LEU H 1 8 GLY H 3.400 . 5.000 4.451 3.919 4.591 . 0 0 "[ . 1 . 2]" 1
140 1 7 LEU HA 1 8 GLY H 2.700 . 3.600 2.303 2.167 2.622 . 0 0 "[ . 1 . 2]" 1
141 1 7 LEU HB2 1 8 GLY H 3.400 . 5.000 3.508 1.857 4.657 . 0 0 "[ . 1 . 2]" 1
142 1 7 LEU HB3 1 8 GLY H 3.400 . 5.000 3.463 2.198 4.137 . 0 0 "[ . 1 . 2]" 1
143 1 7 LEU QD 1 8 GLY H 3.400 . 5.500 3.773 2.980 4.221 . 0 0 "[ . 1 . 2]" 1
144 1 7 LEU HG 1 8 GLY H 4.100 2.300 6.200 4.358 3.660 5.466 . 0 0 "[ . 1 . 2]" 1
145 1 8 GLY H 1 8 GLY HA2 2.300 . 2.800 2.419 2.330 2.520 . 0 0 "[ . 1 . 2]" 1
146 1 8 GLY H 1 8 GLY HA3 2.700 . 3.600 2.688 2.506 2.981 . 0 0 "[ . 1 . 2]" 1
147 1 8 GLY H 1 9 THR H 3.400 . 5.000 4.264 2.925 4.681 . 0 0 "[ . 1 . 2]" 1
148 1 8 GLY H 1 33 ILE H 3.400 . 5.000 2.908 2.160 3.703 . 0 0 "[ . 1 . 2]" 1
149 1 8 GLY H 1 33 ILE HA 3.400 . 5.000 4.064 3.791 4.463 . 0 0 "[ . 1 . 2]" 1
150 1 8 GLY H 1 33 ILE HB 3.400 . 5.000 2.356 1.938 2.875 . 0 0 "[ . 1 . 2]" 1
151 1 8 GLY H 1 33 ILE MD 3.400 . 5.500 4.599 4.434 4.712 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLY H 1 33 ILE HG12 2.700 . 3.600 3.637 3.550 3.722 0.122 18 0 "[ . 1 . 2]" 1
153 1 8 GLY H 1 33 ILE HG13 3.400 . 5.000 4.428 4.231 4.815 . 0 0 "[ . 1 . 2]" 1
154 1 8 GLY H 1 33 ILE MG 3.400 . 5.500 3.844 3.451 4.361 . 0 0 "[ . 1 . 2]" 1
155 1 8 GLY H 1 33 ILE O 2.000 . 2.500 1.643 1.486 1.985 0.014 11 0 "[ . 1 . 2]" 1
156 1 8 GLY H 1 34 ARG HA 4.100 2.300 6.000 3.188 2.841 3.458 . 0 0 "[ . 1 . 2]" 1
157 1 8 GLY H 1 34 ARG QB 4.100 2.300 6.500 4.385 4.231 4.588 . 0 0 "[ . 1 . 2]" 1
158 1 8 GLY H 1 34 ARG QD 4.100 2.300 6.500 5.530 4.881 5.867 . 0 0 "[ . 1 . 2]" 1
159 1 8 GLY H 1 34 ARG HG2 4.100 2.300 6.000 6.106 6.030 6.213 0.213 13 0 "[ . 1 . 2]" 1
160 1 8 GLY H 1 34 ARG HG3 4.100 2.300 6.000 4.756 4.526 4.947 . 0 0 "[ . 1 . 2]" 1
161 1 8 GLY QA 1 10 LYS H 3.400 . 5.500 3.821 2.998 5.181 . 0 0 "[ . 1 . 2]" 1
162 1 8 GLY QA 1 33 ILE HA 3.400 . 5.000 4.260 3.860 4.508 . 0 0 "[ . 1 . 2]" 1
163 1 8 GLY QA 1 33 ILE HB 2.700 . 3.600 2.291 1.942 2.791 . 0 0 "[ . 1 . 2]" 1
164 1 8 GLY QA 1 33 ILE MD 3.400 . 5.500 3.632 3.373 4.017 . 0 0 "[ . 1 . 2]" 1
165 1 8 GLY QA 1 33 ILE HG12 2.700 . 3.600 2.129 1.796 2.569 0.004 18 0 "[ . 1 . 2]" 1
166 1 8 GLY QA 1 33 ILE MG 3.400 . 5.500 3.742 3.403 4.106 . 0 0 "[ . 1 . 2]" 1
167 1 8 GLY HA2 1 9 THR H 2.700 . 3.600 3.182 2.432 3.615 0.015 6 0 "[ . 1 . 2]" 1
168 1 8 GLY HA2 1 32 ILE HB 3.400 . 5.000 4.290 3.209 5.147 0.147 11 0 "[ . 1 . 2]" 1
169 1 8 GLY HA3 1 9 THR H 2.700 . 3.600 2.408 2.165 3.496 . 0 0 "[ . 1 . 2]" 1
170 1 8 GLY HA3 1 32 ILE HB 3.400 . 5.000 4.055 2.732 5.066 0.066 17 0 "[ . 1 . 2]" 1
171 1 9 THR H 1 9 THR HA 2.700 . 3.600 2.942 2.759 2.995 . 0 0 "[ . 1 . 2]" 1
172 1 9 THR H 1 9 THR HB 2.700 . 5.000 3.073 2.408 3.771 . 0 0 "[ . 1 . 2]" 1
173 1 9 THR H 1 10 LYS H 2.700 . 5.000 2.802 2.118 4.550 . 0 0 "[ . 1 . 2]" 1
174 1 9 THR HA 1 10 LYS H 3.400 . 5.000 3.126 2.147 3.531 . 0 0 "[ . 1 . 2]" 1
175 1 9 THR MG 1 10 LYS H 3.400 . 5.500 3.468 2.057 4.410 . 0 0 "[ . 1 . 2]" 1
176 1 10 LYS H 1 10 LYS HA 2.700 . 3.600 2.844 2.707 3.000 . 0 0 "[ . 1 . 2]" 1
177 1 10 LYS HA 1 11 PRO HD2 2.700 . 3.600 3.128 2.657 3.784 0.184 6 0 "[ . 1 . 2]" 1
178 1 10 LYS HA 1 11 PRO HD3 2.700 . 3.600 2.623 2.168 3.796 0.196 11 0 "[ . 1 . 2]" 1
179 1 11 PRO HA 1 12 PRO HD2 2.700 . 3.600 2.553 2.116 3.791 0.191 7 0 "[ . 1 . 2]" 1
180 1 11 PRO HA 1 12 PRO HD3 2.700 . 3.600 2.432 1.938 3.889 0.289 11 0 "[ . 1 . 2]" 1
181 1 12 PRO HA 1 13 THR H 2.700 . 3.600 2.456 2.162 2.900 . 0 0 "[ . 1 . 2]" 1
182 1 12 PRO QB 1 13 THR H 4.100 2.300 6.500 2.760 1.834 3.517 0.466 6 0 "[ . 1 . 2]" 1
183 1 12 PRO HG2 1 13 THR H 4.100 2.300 6.000 4.656 3.743 5.243 . 0 0 "[ . 1 . 2]" 1
184 1 13 THR H 1 13 THR HB 3.400 . 5.000 3.605 3.139 3.859 . 0 0 "[ . 1 . 2]" 1
185 1 13 THR H 1 14 THR H 4.100 2.300 6.000 4.331 4.032 4.427 . 0 0 "[ . 1 . 2]" 1
186 1 13 THR HA 1 14 THR H 2.300 . 2.800 2.400 2.196 2.844 0.044 11 0 "[ . 1 . 2]" 1
187 1 13 THR HB 1 14 THR H 2.700 . 3.600 3.600 3.415 3.749 0.149 6 0 "[ . 1 . 2]" 1
188 1 13 THR MG 1 14 THR H 3.400 . 5.500 3.779 2.173 4.400 . 0 0 "[ . 1 . 2]" 1
189 1 14 THR H 1 14 THR HB 2.700 . 3.600 3.626 3.578 3.682 0.082 3 0 "[ . 1 . 2]" 1
190 1 14 THR H 1 15 GLU H 3.400 . 5.000 4.588 4.506 4.657 . 0 0 "[ . 1 . 2]" 1
191 1 14 THR HA 1 15 GLU H 2.300 . 2.800 2.447 2.191 2.674 . 0 0 "[ . 1 . 2]" 1
192 1 14 THR HA 1 15 GLU HB2 4.100 2.300 6.000 4.686 3.850 5.661 . 0 0 "[ . 1 . 2]" 1
193 1 14 THR HA 1 15 GLU HB3 4.100 2.300 6.000 4.786 4.038 5.587 . 0 0 "[ . 1 . 2]" 1
194 1 14 THR HB 1 15 GLU H 2.300 . 2.800 2.336 1.944 2.834 0.034 17 0 "[ . 1 . 2]" 1
195 1 14 THR MG 1 15 GLU H 2.700 . 4.100 3.463 3.327 3.540 . 0 0 "[ . 1 . 2]" 1
196 1 15 GLU H 1 15 GLU HA 2.700 . 3.600 2.952 2.924 2.982 . 0 0 "[ . 1 . 2]" 1
197 1 15 GLU H 1 16 THR H 4.100 2.300 6.000 4.255 3.839 4.422 . 0 0 "[ . 1 . 2]" 1
198 1 15 GLU HA 1 16 THR H 2.300 . 2.800 2.343 2.191 2.628 . 0 0 "[ . 1 . 2]" 1
199 1 15 GLU HB2 1 16 THR H 3.400 . 5.000 3.703 2.205 4.567 . 0 0 "[ . 1 . 2]" 1
200 1 15 GLU HB3 1 16 THR H 3.400 . 5.000 3.659 2.097 4.438 . 0 0 "[ . 1 . 2]" 1
201 1 15 GLU QG 1 16 THR H 3.400 . 5.500 3.714 2.232 4.647 . 0 0 "[ . 1 . 2]" 1
202 1 16 THR H 1 16 THR HA 2.700 . 3.600 2.943 2.861 2.998 . 0 0 "[ . 1 . 2]" 1
203 1 16 THR H 1 16 THR HB 3.400 . 5.000 3.174 2.723 3.523 . 0 0 "[ . 1 . 2]" 1
204 1 16 THR H 1 17 CYS H 4.100 2.300 6.000 4.507 4.192 4.638 . 0 0 "[ . 1 . 2]" 1
205 1 16 THR HA 1 17 CYS H 2.300 . 2.800 2.213 2.165 2.298 . 0 0 "[ . 1 . 2]" 1
206 1 16 THR HB 1 17 CYS H 2.700 . 3.600 3.565 3.320 3.708 0.108 10 0 "[ . 1 . 2]" 1
207 1 16 THR MG 1 17 CYS H 2.700 . 4.100 2.825 2.106 3.339 . 0 0 "[ . 1 . 2]" 1
208 1 16 THR MG 1 17 CYS HA 4.100 2.300 6.500 4.645 3.795 5.089 . 0 0 "[ . 1 . 2]" 1
209 1 17 CYS H 1 17 CYS HA 2.700 . 3.600 2.976 2.968 2.986 . 0 0 "[ . 1 . 2]" 1
210 1 17 CYS H 1 18 GLN H 4.100 2.300 6.000 4.375 4.306 4.434 . 0 0 "[ . 1 . 2]" 1
211 1 17 CYS HA 1 18 GLN H 2.300 . 2.800 2.671 2.317 2.798 . 0 0 "[ . 1 . 2]" 1
212 1 17 CYS HA 1 18 GLN HA 4.100 2.300 6.000 4.406 4.384 4.454 . 0 0 "[ . 1 . 2]" 1
213 1 17 CYS HA 1 37 CYS HB2 4.100 2.300 6.000 4.789 4.496 5.203 . 0 0 "[ . 1 . 2]" 1
214 1 17 CYS HA 1 37 CYS HB3 4.100 2.300 6.000 4.889 4.409 5.503 . 0 0 "[ . 1 . 2]" 1
215 1 17 CYS HB2 1 18 GLN H 3.400 . 5.000 3.190 2.152 4.311 . 0 0 "[ . 1 . 2]" 1
216 1 17 CYS HB2 1 18 GLN HA 4.100 2.300 6.000 5.159 4.588 5.814 . 0 0 "[ . 1 . 2]" 1
217 1 17 CYS HB2 1 19 GLU H 4.100 2.300 6.000 3.833 3.030 4.859 . 0 0 "[ . 1 . 2]" 1
218 1 17 CYS HB2 1 37 CYS HA 4.100 2.300 6.000 4.568 4.071 5.787 . 0 0 "[ . 1 . 2]" 1
219 1 17 CYS HB2 1 37 CYS HB2 3.400 . 5.000 2.604 1.837 4.154 . 0 0 "[ . 1 . 2]" 1
220 1 17 CYS HB2 1 37 CYS HB3 3.400 . 5.000 2.297 1.909 3.044 . 0 0 "[ . 1 . 2]" 1
221 1 17 CYS HB3 1 18 GLN H 2.700 . 3.600 2.587 1.951 3.641 0.041 3 0 "[ . 1 . 2]" 1
222 1 17 CYS HB3 1 18 GLN HA 4.100 2.300 6.000 4.847 4.361 5.809 . 0 0 "[ . 1 . 2]" 1
223 1 17 CYS HB3 1 19 GLU H 3.400 . 5.000 3.332 2.508 4.471 . 0 0 "[ . 1 . 2]" 1
224 1 17 CYS HB3 1 37 CYS HA 4.100 2.300 6.000 4.919 4.017 5.778 . 0 0 "[ . 1 . 2]" 1
225 1 17 CYS HB3 1 37 CYS HB2 3.400 . 5.000 2.416 1.973 2.848 . 0 0 "[ . 1 . 2]" 1
226 1 17 CYS HB3 1 37 CYS HB3 3.400 . 5.000 3.047 1.877 4.055 . 0 0 "[ . 1 . 2]" 1
227 1 17 CYS SG 1 37 CYS SG 1.950 . 2.100 2.016 2.008 2.020 . 0 0 "[ . 1 . 2]" 1
228 1 18 GLN H 1 18 GLN HA 2.700 . 3.600 2.956 2.853 2.973 . 0 0 "[ . 1 . 2]" 1
229 1 18 GLN H 1 19 GLU H 2.700 . 3.600 2.269 2.077 2.641 . 0 0 "[ . 1 . 2]" 1
230 1 18 GLN HA 1 19 GLU H 3.400 . 5.000 3.521 3.462 3.558 . 0 0 "[ . 1 . 2]" 1
231 1 18 GLN HB2 1 19 GLU H 2.700 . 3.600 3.818 3.751 3.910 0.310 10 0 "[ . 1 . 2]" 1
232 1 18 GLN HB2 1 19 GLU HA 4.100 2.300 6.000 5.510 5.484 5.536 . 0 0 "[ . 1 . 2]" 1
233 1 18 GLN HB3 1 19 GLU H 2.700 . 3.600 2.532 2.411 2.758 . 0 0 "[ . 1 . 2]" 1
234 1 18 GLN HB3 1 19 GLU HA 4.100 2.300 6.000 4.148 4.071 4.376 . 0 0 "[ . 1 . 2]" 1
235 1 18 GLN HG2 1 19 GLU HA 3.400 . 5.000 5.131 5.086 5.167 0.167 10 0 "[ . 1 . 2]" 1
236 1 18 GLN HG3 1 19 GLU HA 3.400 . 5.000 3.492 3.347 3.581 . 0 0 "[ . 1 . 2]" 1
237 1 19 GLU H 1 20 ASP H 4.100 2.300 6.000 4.557 4.494 4.630 . 0 0 "[ . 1 . 2]" 1
238 1 19 GLU H 1 38 GLY H 4.100 2.300 6.000 6.002 5.803 6.129 0.129 15 0 "[ . 1 . 2]" 1
239 1 19 GLU HA 1 20 ASP H 2.700 . 3.600 2.167 2.124 2.208 . 0 0 "[ . 1 . 2]" 1
240 1 19 GLU HA 1 21 SER H 3.400 . 5.000 3.474 3.384 3.661 . 0 0 "[ . 1 . 2]" 1
241 1 19 GLU HA 1 38 GLY H 4.100 2.300 6.000 6.144 6.058 6.239 0.239 20 0 "[ . 1 . 2]" 1
242 1 19 GLU HB2 1 20 ASP H 2.700 . 3.600 3.751 3.694 3.827 0.227 8 0 "[ . 1 . 2]" 1
243 1 19 GLU HB2 1 20 ASP HA 4.100 2.300 6.000 4.753 4.671 4.879 . 0 0 "[ . 1 . 2]" 1
244 1 19 GLU HB2 1 21 SER H 3.400 . 5.000 2.708 2.485 2.931 . 0 0 "[ . 1 . 2]" 1
245 1 19 GLU HB2 1 37 CYS H 4.100 2.300 6.000 5.830 5.134 6.131 0.131 3 0 "[ . 1 . 2]" 1
246 1 19 GLU HB2 1 38 GLY H 3.400 . 5.000 3.324 3.211 3.488 . 0 0 "[ . 1 . 2]" 1
247 1 19 GLU HB2 1 39 CYS H 3.400 . 5.000 5.047 4.965 5.135 0.135 1 0 "[ . 1 . 2]" 1
248 1 19 GLU HB3 1 20 ASP H 2.700 . 3.600 3.467 3.207 3.672 0.072 18 0 "[ . 1 . 2]" 1
249 1 19 GLU HB3 1 20 ASP HA 4.100 2.300 6.000 5.463 5.217 5.632 . 0 0 "[ . 1 . 2]" 1
250 1 19 GLU HB3 1 21 SER H 2.700 . 3.600 3.070 2.753 3.262 . 0 0 "[ . 1 . 2]" 1
251 1 19 GLU HB3 1 38 GLY H 3.400 . 5.000 4.667 4.453 4.825 . 0 0 "[ . 1 . 2]" 1
252 1 19 GLU HB3 1 39 CYS H 3.400 . 5.000 4.984 4.726 5.173 0.173 18 0 "[ . 1 . 2]" 1
253 1 19 GLU QG 1 21 SER H 3.400 . 5.500 4.512 4.317 4.660 . 0 0 "[ . 1 . 2]" 1
254 1 19 GLU QG 1 38 GLY H 4.100 2.300 6.500 4.451 3.884 5.193 . 0 0 "[ . 1 . 2]" 1
255 1 19 GLU QG 1 39 CYS H 4.100 2.300 6.500 5.078 4.522 5.809 . 0 0 "[ . 1 . 2]" 1
256 1 20 ASP H 1 21 SER H 2.700 . 3.600 2.505 2.415 2.600 . 0 0 "[ . 1 . 2]" 1
257 1 20 ASP HA 1 21 SER H 3.400 . 5.000 3.339 3.238 3.409 . 0 0 "[ . 1 . 2]" 1
258 1 20 ASP HB2 1 21 SER H 3.400 . 5.000 3.690 3.478 3.892 . 0 0 "[ . 1 . 2]" 1
259 1 20 ASP HB2 1 21 SER HA 4.100 2.300 6.000 4.100 4.009 4.213 . 0 0 "[ . 1 . 2]" 1
260 1 20 ASP HB3 1 21 SER H 4.100 2.300 6.000 4.519 4.425 4.599 . 0 0 "[ . 1 . 2]" 1
261 1 20 ASP HB3 1 21 SER HA 4.100 2.300 6.000 5.450 5.197 5.576 . 0 0 "[ . 1 . 2]" 1
262 1 21 SER H 1 22 CYS H 3.400 . 5.000 4.605 4.541 4.639 . 0 0 "[ . 1 . 2]" 1
263 1 21 SER H 1 38 GLY H 3.400 . 5.000 4.019 3.791 4.205 . 0 0 "[ . 1 . 2]" 1
264 1 21 SER H 1 39 CYS H 4.100 2.300 6.000 5.878 5.520 6.090 0.090 12 0 "[ . 1 . 2]" 1
265 1 21 SER HA 1 22 CYS H 2.300 . 2.800 2.455 2.275 2.584 . 0 0 "[ . 1 . 2]" 1
266 1 21 SER HA 1 22 CYS HA 4.100 2.300 6.000 4.544 4.474 4.599 . 0 0 "[ . 1 . 2]" 1
267 1 21 SER HA 1 22 CYS HB2 4.100 2.300 6.000 4.709 4.137 4.933 . 0 0 "[ . 1 . 2]" 1
268 1 21 SER HA 1 38 GLY H 3.400 . 5.000 4.247 4.117 4.561 . 0 0 "[ . 1 . 2]" 1
269 1 21 SER HA 1 53 GLU HA 2.300 . 2.800 1.794 1.698 1.894 0.102 16 0 "[ . 1 . 2]" 1
270 1 21 SER HA 1 53 GLU HB2 3.400 . 5.000 4.649 4.560 4.698 . 0 0 "[ . 1 . 2]" 1
271 1 21 SER HA 1 53 GLU HB3 2.700 . 3.600 3.682 3.601 3.777 0.177 1 0 "[ . 1 . 2]" 1
272 1 21 SER HA 1 53 GLU QG 2.700 . 3.600 3.143 2.945 3.360 . 0 0 "[ . 1 . 2]" 1
273 1 21 SER HA 1 54 SER H 4.100 2.300 6.000 3.697 3.007 4.886 . 0 0 "[ . 1 . 2]" 1
274 1 21 SER HB2 1 22 CYS H 2.700 . 3.600 3.058 2.431 3.649 0.049 6 0 "[ . 1 . 2]" 1
275 1 21 SER HB2 1 39 CYS H 4.100 2.300 6.000 3.634 2.850 5.919 . 0 0 "[ . 1 . 2]" 1
276 1 21 SER HB2 1 53 GLU HA 3.400 . 5.000 4.494 2.872 4.765 . 0 0 "[ . 1 . 2]" 1
277 1 21 SER HB2 1 53 GLU QG 3.400 . 5.500 4.430 2.345 4.975 . 0 0 "[ . 1 . 2]" 1
278 1 21 SER HB3 1 22 CYS H 2.700 . 3.600 3.098 2.497 3.673 0.073 16 0 "[ . 1 . 2]" 1
279 1 21 SER HB3 1 38 GLY H 4.100 2.300 6.000 4.181 3.573 4.534 . 0 0 "[ . 1 . 2]" 1
280 1 21 SER HB3 1 39 CYS H 3.400 . 5.000 4.576 3.718 5.103 0.103 3 0 "[ . 1 . 2]" 1
281 1 21 SER HB3 1 39 CYS HB2 4.100 2.300 6.000 5.906 5.544 6.153 0.153 6 0 "[ . 1 . 2]" 1
282 1 21 SER HB3 1 53 GLU HA 3.400 . 5.000 3.621 2.975 4.160 . 0 0 "[ . 1 . 2]" 1
283 1 21 SER HB3 1 53 GLU HB3 3.400 . 5.000 4.754 4.138 5.135 0.135 16 0 "[ . 1 . 2]" 1
284 1 21 SER HB3 1 53 GLU QG 3.400 . 5.500 3.117 2.361 3.876 . 0 0 "[ . 1 . 2]" 1
285 1 21 SER O 1 38 GLY H 2.000 . 2.500 1.867 1.571 2.150 . 0 0 "[ . 1 . 2]" 1
286 1 22 CYS H 1 23 TYR H 3.400 . 5.000 4.191 4.072 4.353 . 0 0 "[ . 1 . 2]" 1
287 1 22 CYS H 1 24 LYS H 4.100 2.300 6.000 6.193 6.101 6.305 0.305 3 0 "[ . 1 . 2]" 1
288 1 22 CYS H 1 52 CYS H 2.700 . 3.600 2.057 1.848 2.592 . 0 0 "[ . 1 . 2]" 1
289 1 22 CYS H 1 52 CYS O 2.000 . 2.500 1.713 1.546 1.945 . 0 0 "[ . 1 . 2]" 1
290 1 22 CYS H 1 53 GLU HA 2.700 . 3.600 3.607 3.250 3.744 0.144 3 0 "[ . 1 . 2]" 1
291 1 22 CYS HA 1 23 TYR H 2.700 . 3.600 2.244 2.187 2.326 . 0 0 "[ . 1 . 2]" 1
292 1 22 CYS HA 1 23 TYR HA 3.400 . 5.000 4.408 4.380 4.435 . 0 0 "[ . 1 . 2]" 1
293 1 22 CYS HA 1 23 TYR HB2 4.100 2.300 6.000 5.746 5.662 5.820 . 0 0 "[ . 1 . 2]" 1
294 1 22 CYS HA 1 23 TYR HB3 4.100 2.300 6.000 4.498 4.349 4.651 . 0 0 "[ . 1 . 2]" 1
295 1 22 CYS HA 1 37 CYS HA 2.700 . 3.600 1.902 1.790 2.174 0.010 13 0 "[ . 1 . 2]" 1
296 1 22 CYS HA 1 37 CYS HB2 4.100 2.300 6.000 4.468 4.042 4.874 . 0 0 "[ . 1 . 2]" 1
297 1 22 CYS HA 1 37 CYS HB3 4.100 2.300 6.000 4.168 3.628 5.130 . 0 0 "[ . 1 . 2]" 1
298 1 22 CYS HA 1 38 GLY H 2.700 . 3.600 2.128 1.819 2.631 . 0 0 "[ . 1 . 2]" 1
299 1 22 CYS HA 1 38 GLY HA3 4.100 2.300 6.000 5.011 4.698 5.532 . 0 0 "[ . 1 . 2]" 1
300 1 22 CYS HB2 1 23 TYR H 3.400 . 5.000 4.202 3.880 4.528 . 0 0 "[ . 1 . 2]" 1
301 1 22 CYS HB2 1 23 TYR HA 3.400 . 5.000 4.692 4.508 5.055 0.055 4 0 "[ . 1 . 2]" 1
302 1 22 CYS HB2 1 37 CYS HA 4.100 2.300 6.000 4.739 4.518 5.069 . 0 0 "[ . 1 . 2]" 1
303 1 22 CYS HB2 1 38 GLY H 4.100 2.300 6.000 4.800 4.478 5.354 . 0 0 "[ . 1 . 2]" 1
304 1 22 CYS HB3 1 23 TYR H 2.700 . 3.600 3.520 3.257 3.632 0.032 8 0 "[ . 1 . 2]" 1
305 1 22 CYS HB3 1 23 TYR HA 3.400 . 5.000 4.877 4.294 5.029 0.029 3 0 "[ . 1 . 2]" 1
306 1 22 CYS HB3 1 37 CYS HA 3.400 . 5.000 3.749 3.370 4.598 . 0 0 "[ . 1 . 2]" 1
307 1 22 CYS HB3 1 38 GLY H 3.400 . 5.000 4.532 4.173 5.041 0.041 13 0 "[ . 1 . 2]" 1
308 1 22 CYS O 1 52 CYS H 2.000 . 2.500 1.894 1.501 2.501 0.001 11 0 "[ . 1 . 2]" 1
309 1 23 TYR H 1 23 TYR HA 2.700 . 3.600 2.968 2.958 2.979 . 0 0 "[ . 1 . 2]" 1
310 1 23 TYR H 1 24 LYS H 4.100 2.300 6.000 4.439 4.306 4.521 . 0 0 "[ . 1 . 2]" 1
311 1 23 TYR H 1 36 GLY O 2.000 . 2.500 2.344 1.920 2.569 0.069 15 0 "[ . 1 . 2]" 1
312 1 23 TYR H 1 37 CYS HA 3.400 . 5.000 2.971 2.592 3.397 . 0 0 "[ . 1 . 2]" 1
313 1 23 TYR H 1 38 GLY H . 2.300 3.600 2.954 2.432 3.344 . 0 0 "[ . 1 . 2]" 1
314 1 23 TYR H 1 58 ASN HD21 2.700 . 3.300 3.419 3.349 3.488 0.188 8 0 "[ . 1 . 2]" 1
315 1 23 TYR H 1 58 ASN HD22 3.400 . 4.500 3.789 2.943 4.097 . 0 0 "[ . 1 . 2]" 1
316 1 23 TYR HA 1 24 LYS H 2.300 . 2.800 2.080 2.014 2.155 . 0 0 "[ . 1 . 2]" 1
317 1 23 TYR HA 1 25 ASN QD 3.400 . 5.000 3.784 3.111 4.105 . 0 0 "[ . 1 . 2]" 1
318 1 23 TYR HA 1 51 CYS HA 2.300 . 2.800 2.091 1.844 2.335 . 0 0 "[ . 1 . 2]" 1
319 1 23 TYR HA 1 51 CYS HB2 3.400 . 5.000 4.172 3.443 5.059 0.059 13 0 "[ . 1 . 2]" 1
320 1 23 TYR HA 1 51 CYS HB3 4.100 2.300 6.000 4.772 4.456 5.171 . 0 0 "[ . 1 . 2]" 1
321 1 23 TYR HA 1 52 CYS H 2.700 . 3.600 3.547 3.156 3.786 0.186 12 0 "[ . 1 . 2]" 1
322 1 23 TYR HA 1 58 ASN HD21 3.400 . 5.000 4.436 3.976 4.840 . 0 0 "[ . 1 . 2]" 1
323 1 23 TYR HA 1 58 ASN HD22 4.100 2.300 6.000 5.575 4.900 6.020 0.020 20 0 "[ . 1 . 2]" 1
324 1 23 TYR HB2 1 24 LYS H 3.400 . 5.000 3.086 2.670 3.378 . 0 0 "[ . 1 . 2]" 1
325 1 23 TYR HB2 1 51 CYS HA 4.100 2.300 6.000 3.708 3.092 4.021 . 0 0 "[ . 1 . 2]" 1
326 1 23 TYR HB2 1 52 CYS H 4.100 2.300 6.000 5.544 4.919 5.814 . 0 0 "[ . 1 . 2]" 1
327 1 23 TYR HB3 1 24 LYS H 3.400 . 5.000 4.158 3.871 4.344 . 0 0 "[ . 1 . 2]" 1
328 1 23 TYR HB3 1 39 CYS H 3.400 . 5.000 3.781 3.335 4.346 . 0 0 "[ . 1 . 2]" 1
329 1 23 TYR HB3 1 40 PHE QD 3.400 . 5.500 4.563 3.632 5.206 . 0 0 "[ . 1 . 2]" 1
330 1 23 TYR HB3 1 40 PHE QE 4.100 2.300 6.500 5.596 4.159 6.143 . 0 0 "[ . 1 . 2]" 1
331 1 23 TYR HB3 1 51 CYS HA 3.400 . 5.000 3.594 3.149 4.032 . 0 0 "[ . 1 . 2]" 1
332 1 23 TYR HB3 1 52 CYS H 3.400 . 5.000 4.964 4.478 5.175 0.175 6 0 "[ . 1 . 2]" 1
333 1 23 TYR QD 1 25 ASN H 4.100 2.300 6.500 3.523 2.401 4.845 . 0 0 "[ . 1 . 2]" 1
334 1 23 TYR QD 1 37 CYS H 4.100 2.300 6.500 3.214 2.707 4.371 . 0 0 "[ . 1 . 2]" 1
335 1 23 TYR QD 1 38 GLY H 3.400 . 5.500 3.751 3.343 4.348 . 0 0 "[ . 1 . 2]" 1
336 1 23 TYR QD 1 58 ASN HD21 3.400 . 5.500 4.382 3.541 4.758 . 0 0 "[ . 1 . 2]" 1
337 1 23 TYR QD 1 58 ASN HD22 4.100 2.300 6.500 5.060 4.285 5.711 . 0 0 "[ . 1 . 2]" 1
338 1 23 TYR HD1 1 24 LYS H 3.400 . 5.500 4.206 3.260 5.501 0.001 19 0 "[ . 1 . 2]" 1
339 1 23 TYR HD1 1 25 ASN QD 3.400 . 5.000 3.030 1.679 5.017 0.121 15 0 "[ . 1 . 2]" 1
340 1 23 TYR QE 1 25 ASN H 3.400 . 5.500 4.327 3.388 5.223 . 0 0 "[ . 1 . 2]" 1
341 1 23 TYR QE 1 37 CYS H 3.400 . 5.500 2.677 1.884 3.539 . 0 0 "[ . 1 . 2]" 1
342 1 23 TYR QE 1 58 ASN HD21 4.100 2.300 6.500 5.362 5.139 5.608 . 0 0 "[ . 1 . 2]" 1
343 1 23 TYR O 1 36 GLY H 2.000 . 2.500 1.692 1.503 2.040 . 0 0 "[ . 1 . 2]" 1
344 1 23 TYR O 1 58 ASN HD21 2.000 . 2.500 2.594 2.387 2.728 0.228 10 0 "[ . 1 . 2]" 1
345 1 24 LYS H 1 25 ASN H 4.100 2.300 6.000 3.861 3.176 4.118 . 0 0 "[ . 1 . 2]" 1
346 1 24 LYS H 1 50 TYR H 2.700 . 3.600 2.720 1.852 3.600 . 0 0 "[ . 1 . 2]" 1
347 1 24 LYS H 1 50 TYR HB2 3.400 . 5.000 3.790 3.074 4.878 . 0 0 "[ . 1 . 2]" 1
348 1 24 LYS H 1 50 TYR HB3 4.100 2.300 6.000 3.308 2.436 4.167 . 0 0 "[ . 1 . 2]" 1
349 1 24 LYS H 1 50 TYR HD1 4.100 2.300 6.500 5.776 5.012 6.588 0.088 15 0 "[ . 1 . 2]" 1
350 1 24 LYS H 1 50 TYR O 2.000 . 2.500 2.266 1.515 2.654 0.154 2 0 "[ . 1 . 2]" 1
351 1 24 LYS H 1 51 CYS HA 2.700 . 3.600 3.477 2.897 3.755 0.155 3 0 "[ . 1 . 2]" 1
352 1 24 LYS HA 1 25 ASN H 2.700 . 3.600 2.185 2.087 2.413 . 0 0 "[ . 1 . 2]" 1
353 1 24 LYS HA 1 25 ASN HA 4.100 2.300 6.000 4.437 4.397 4.478 . 0 0 "[ . 1 . 2]" 1
354 1 24 LYS HA 1 33 ILE MG 3.400 . 5.500 3.874 3.188 4.299 . 0 0 "[ . 1 . 2]" 1
355 1 24 LYS HA 1 34 ARG H 4.100 2.300 6.000 3.650 3.263 4.021 . 0 0 "[ . 1 . 2]" 1
356 1 24 LYS HA 1 35 ARG HA 4.100 2.300 6.000 2.179 2.103 2.256 0.197 15 0 "[ . 1 . 2]" 1
357 1 24 LYS HA 1 35 ARG HB2 3.400 . 5.000 4.928 3.177 5.157 0.157 10 0 "[ . 1 . 2]" 1
358 1 24 LYS HA 1 35 ARG HB3 4.100 2.300 6.000 4.339 3.016 4.654 . 0 0 "[ . 1 . 2]" 1
359 1 24 LYS HA 1 35 ARG HG2 3.400 . 5.000 4.198 3.325 5.118 0.118 3 0 "[ . 1 . 2]" 1
360 1 24 LYS HA 1 35 ARG HG3 4.100 2.300 6.000 3.535 2.765 5.235 . 0 0 "[ . 1 . 2]" 1
361 1 24 LYS HA 1 36 GLY H 4.100 2.300 6.000 3.477 2.996 3.930 . 0 0 "[ . 1 . 2]" 1
362 1 24 LYS HA 1 50 TYR HB3 4.100 2.300 6.000 5.163 4.536 6.095 0.095 4 0 "[ . 1 . 2]" 1
363 1 24 LYS HB2 1 25 ASN H 3.400 . 5.000 4.325 3.489 4.668 . 0 0 "[ . 1 . 2]" 1
364 1 24 LYS HB2 1 25 ASN QD 3.400 . 5.000 4.729 4.494 4.906 . 0 0 "[ . 1 . 2]" 1
365 1 24 LYS HB2 1 34 ARG H 4.100 2.300 6.000 5.260 4.548 6.177 0.177 3 0 "[ . 1 . 2]" 1
366 1 24 LYS HB2 1 58 ASN H 4.100 2.300 6.000 5.451 4.867 6.149 0.149 14 0 "[ . 1 . 2]" 1
367 1 24 LYS HB3 1 35 ARG H 4.100 2.300 6.000 5.986 5.040 6.302 0.302 3 0 "[ . 1 . 2]" 1
368 1 24 LYS QD 1 25 ASN H 3.400 . 5.500 5.010 4.713 5.173 . 0 0 "[ . 1 . 2]" 1
369 1 24 LYS QD 1 58 ASN H 4.100 2.300 6.500 5.502 3.734 5.831 . 0 0 "[ . 1 . 2]" 1
370 1 24 LYS QE 1 58 ASN H 4.100 2.300 6.500 4.678 4.020 5.518 . 0 0 "[ . 1 . 2]" 1
371 1 24 LYS QE 1 58 ASN HD21 3.400 . 5.500 4.858 4.152 5.031 . 0 0 "[ . 1 . 2]" 1
372 1 24 LYS HG2 1 25 ASN H 3.400 . 5.000 3.714 3.315 5.224 0.224 17 0 "[ . 1 . 2]" 1
373 1 24 LYS HG2 1 25 ASN QD 3.400 . 5.000 4.603 3.607 4.861 . 0 0 "[ . 1 . 2]" 1
374 1 24 LYS HG2 1 58 ASN HD21 4.100 2.300 6.000 5.216 3.193 5.963 . 0 0 "[ . 1 . 2]" 1
375 1 24 LYS HG3 1 25 ASN H 3.400 . 5.000 4.385 3.374 5.368 0.368 14 0 "[ . 1 . 2]" 1
376 1 24 LYS HG3 1 58 ASN HD21 3.400 . 5.000 4.513 2.800 5.183 0.183 13 0 "[ . 1 . 2]" 1
377 1 25 ASN H 1 26 ILE H 4.100 2.300 6.000 4.522 4.463 4.602 . 0 0 "[ . 1 . 2]" 1
378 1 25 ASN H 1 33 ILE MG 3.400 . 5.500 3.635 3.132 4.185 . 0 0 "[ . 1 . 2]" 1
379 1 25 ASN H 1 34 ARG H 3.400 . 5.000 2.749 2.567 3.022 . 0 0 "[ . 1 . 2]" 1
380 1 25 ASN H 1 34 ARG QB 4.100 2.300 6.500 3.419 2.924 3.710 . 0 0 "[ . 1 . 2]" 1
381 1 25 ASN H 1 34 ARG HG3 4.100 2.300 6.000 5.957 5.417 6.105 0.105 8 0 "[ . 1 . 2]" 1
382 1 25 ASN H 1 34 ARG O 2.000 . 2.500 2.397 2.025 2.569 0.069 14 0 "[ . 1 . 2]" 1
383 1 25 ASN H 1 35 ARG HA 4.100 2.300 6.000 4.028 3.555 4.271 . 0 0 "[ . 1 . 2]" 1
384 1 25 ASN H 1 40 PHE QD 4.100 2.300 6.500 4.993 4.532 5.630 . 0 0 "[ . 1 . 2]" 1
385 1 25 ASN HA 1 26 ILE H 2.700 . 3.600 2.452 2.267 2.690 . 0 0 "[ . 1 . 2]" 1
386 1 25 ASN HA 1 26 ILE HA 4.100 2.300 6.000 4.422 4.355 4.610 . 0 0 "[ . 1 . 2]" 1
387 1 25 ASN HA 1 26 ILE MG 4.100 2.300 6.500 3.206 2.876 3.430 . 0 0 "[ . 1 . 2]" 1
388 1 25 ASN HA 1 34 ARG H 4.100 2.300 6.000 4.554 4.013 4.795 . 0 0 "[ . 1 . 2]" 1
389 1 25 ASN HA 1 49 PRO HA 2.700 . 3.600 2.463 1.825 3.185 . 0 0 "[ . 1 . 2]" 1
390 1 25 ASN HA 1 49 PRO HB2 3.400 . 5.000 3.199 2.706 4.103 . 0 0 "[ . 1 . 2]" 1
391 1 25 ASN HA 1 49 PRO HB3 4.100 2.300 6.000 2.528 2.164 4.112 0.136 10 0 "[ . 1 . 2]" 1
392 1 25 ASN HA 1 50 TYR H 3.400 . 5.000 3.102 2.430 3.941 . 0 0 "[ . 1 . 2]" 1
393 1 25 ASN HB2 1 26 ILE H 4.100 2.300 6.000 2.617 2.247 3.371 0.053 17 0 "[ . 1 . 2]" 1
394 1 25 ASN HB2 1 34 ARG H 3.400 . 5.000 4.752 3.774 5.144 0.144 15 0 "[ . 1 . 2]" 1
395 1 25 ASN HB2 1 40 PHE H 4.100 2.300 6.500 6.587 6.451 6.693 0.193 9 0 "[ . 1 . 2]" 1
396 1 25 ASN HB2 1 40 PHE QD 3.400 . 5.500 4.048 3.317 5.012 . 0 0 "[ . 1 . 2]" 1
397 1 25 ASN HB2 1 40 PHE QE 4.100 2.300 6.500 4.985 3.176 5.940 . 0 0 "[ . 1 . 2]" 1
398 1 25 ASN HB2 1 49 PRO HA 4.100 2.300 6.000 4.290 2.826 5.152 . 0 0 "[ . 1 . 2]" 1
399 1 25 ASN HB3 1 26 ILE H 4.100 2.300 6.000 3.251 2.561 3.700 . 0 0 "[ . 1 . 2]" 1
400 1 25 ASN HB3 1 40 PHE QD 4.100 2.300 6.500 3.109 2.496 4.010 . 0 0 "[ . 1 . 2]" 1
401 1 25 ASN HB3 1 40 PHE QE 3.400 . 5.500 3.732 2.419 4.633 . 0 0 "[ . 1 . 2]" 1
402 1 25 ASN HB3 1 49 PRO HA 4.100 2.300 6.000 3.413 2.267 3.916 0.033 14 0 "[ . 1 . 2]" 1
403 1 25 ASN QD 1 34 ARG H 4.100 2.300 5.500 4.408 3.890 4.836 . 0 0 "[ . 1 . 2]" 1
404 1 25 ASN O 1 34 ARG H 2.000 . 2.500 2.041 1.647 2.410 . 0 0 "[ . 1 . 2]" 1
405 1 26 ILE H 1 26 ILE HB 3.400 . 5.000 3.727 3.587 4.051 . 0 0 "[ . 1 . 2]" 1
406 1 26 ILE H 1 27 TRP H 2.700 . 3.600 2.284 1.850 3.912 0.312 9 0 "[ . 1 . 2]" 1
407 1 26 ILE H 1 27 TRP HE1 4.100 2.300 5.000 4.002 2.599 4.931 . 0 0 "[ . 1 . 2]" 1
408 1 26 ILE H 1 49 PRO HA 3.400 . 5.000 3.580 2.897 4.288 . 0 0 "[ . 1 . 2]" 1
409 1 26 ILE HA 1 27 TRP H 3.400 . 5.000 3.362 2.160 3.553 . 0 0 "[ . 1 . 2]" 1
410 1 26 ILE HA 1 27 TRP HA 4.100 2.300 6.000 4.730 4.444 4.921 . 0 0 "[ . 1 . 2]" 1
411 1 26 ILE HA 1 33 ILE HA 2.700 . 3.600 2.201 1.801 2.922 . 0 0 "[ . 1 . 2]" 1
412 1 26 ILE HA 1 33 ILE MG 3.400 . 5.500 2.959 1.962 4.130 . 0 0 "[ . 1 . 2]" 1
413 1 26 ILE HA 1 34 ARG H 3.400 . 5.000 3.886 3.389 4.435 . 0 0 "[ . 1 . 2]" 1
414 1 26 ILE HB 1 27 TRP H 3.400 . 5.000 4.179 3.631 4.482 . 0 0 "[ . 1 . 2]" 1
415 1 26 ILE HB 1 27 TRP HE1 4.100 2.300 6.500 6.512 6.109 6.588 0.088 4 0 "[ . 1 . 2]" 1
416 1 26 ILE HB 1 33 ILE HA 4.100 2.300 6.000 4.190 3.110 5.014 . 0 0 "[ . 1 . 2]" 1
417 1 26 ILE MD 1 27 TRP H 2.700 . 4.100 2.586 1.814 3.594 . 0 0 "[ . 1 . 2]" 1
418 1 26 ILE MD 1 27 TRP HA 4.100 2.300 6.500 3.476 2.200 4.662 0.100 1 0 "[ . 1 . 2]" 1
419 1 26 ILE MD 1 27 TRP HE1 4.100 2.300 6.000 3.200 1.978 5.034 0.322 8 0 "[ . 1 . 2]" 1
420 1 26 ILE MD 1 33 ILE HA 4.100 2.300 6.500 5.128 4.779 5.520 . 0 0 "[ . 1 . 2]" 1
421 1 26 ILE QG 1 27 TRP H 3.400 . 5.500 2.669 1.808 4.288 . 0 0 "[ . 1 . 2]" 1
422 1 26 ILE QG 1 27 TRP HA 4.100 2.300 6.500 3.383 2.868 4.119 . 0 0 "[ . 1 . 2]" 1
423 1 26 ILE QG 1 27 TRP HE1 3.400 . 6.000 3.950 3.348 4.365 . 0 0 "[ . 1 . 2]" 1
424 1 26 ILE QG 1 33 ILE HA 4.100 2.300 6.000 5.166 4.646 5.409 . 0 0 "[ . 1 . 2]" 1
425 1 26 ILE MG 1 27 TRP H 4.100 2.300 6.500 3.837 3.539 4.355 . 0 0 "[ . 1 . 2]" 1
426 1 26 ILE MG 1 27 TRP HA 4.100 2.300 6.500 5.409 5.276 5.506 . 0 0 "[ . 1 . 2]" 1
427 1 26 ILE MG 1 27 TRP HE1 3.400 . 6.000 4.817 4.630 4.909 . 0 0 "[ . 1 . 2]" 1
428 1 27 TRP H 1 27 TRP HA 2.700 . 3.600 2.908 2.774 2.988 . 0 0 "[ . 1 . 2]" 1
429 1 27 TRP H 1 28 THR H 4.100 2.300 6.000 4.317 2.284 4.592 0.016 9 0 "[ . 1 . 2]" 1
430 1 27 TRP HA 1 28 THR H 2.700 . 3.600 2.321 2.187 3.598 . 0 0 "[ . 1 . 2]" 1
431 1 27 TRP HB2 1 28 THR H 4.100 2.300 6.000 3.829 2.262 4.498 0.038 9 0 "[ . 1 . 2]" 1
432 1 27 TRP HB2 1 28 THR HB 3.400 . 5.000 5.068 4.639 5.139 0.139 18 0 "[ . 1 . 2]" 1
433 1 27 TRP HB3 1 28 THR H 4.100 2.300 6.000 3.687 3.271 4.102 . 0 0 "[ . 1 . 2]" 1
434 1 27 TRP HE1 1 47 PRO HB2 3.400 . 5.000 2.659 2.196 3.223 . 0 0 "[ . 1 . 2]" 1
435 1 27 TRP HE1 1 47 PRO HB3 3.400 . 5.000 2.761 2.239 3.275 . 0 0 "[ . 1 . 2]" 1
436 1 27 TRP HE1 1 47 PRO HD2 4.100 2.300 6.000 6.057 5.754 6.189 0.189 14 0 "[ . 1 . 2]" 1
437 1 27 TRP HE1 1 47 PRO HG2 4.100 2.300 6.000 4.859 4.272 5.328 . 0 0 "[ . 1 . 2]" 1
438 1 27 TRP HE1 1 47 PRO HG3 4.100 2.300 6.000 4.825 4.176 5.233 . 0 0 "[ . 1 . 2]" 1
439 1 27 TRP HE1 1 49 PRO HB2 4.100 2.300 6.000 5.462 4.199 6.047 0.047 5 0 "[ . 1 . 2]" 1
440 1 28 THR H 1 28 THR HA 2.700 . 3.600 2.924 2.912 2.941 . 0 0 "[ . 1 . 2]" 1
441 1 28 THR H 1 28 THR HB 3.400 . 5.000 3.135 2.668 3.581 . 0 0 "[ . 1 . 2]" 1
442 1 28 THR H 1 29 PHE H 4.100 2.300 6.000 4.200 2.381 4.628 . 0 0 "[ . 1 . 2]" 1
443 1 28 THR HA 1 29 PHE H 2.700 . 3.600 2.653 2.184 3.594 . 0 0 "[ . 1 . 2]" 1
444 1 28 THR HB 1 29 PHE H 3.400 . 5.000 3.815 3.293 4.577 . 0 0 "[ . 1 . 2]" 1
445 1 28 THR HB 1 32 ILE HB 4.100 2.300 6.000 5.868 4.079 6.070 0.070 10 0 "[ . 1 . 2]" 1
446 1 28 THR HB 1 32 ILE MD 4.100 2.300 6.500 4.946 4.171 5.297 . 0 0 "[ . 1 . 2]" 1
447 1 28 THR HG1 1 29 PHE H 3.400 . 5.500 2.221 1.747 3.413 0.053 2 0 "[ . 1 . 2]" 1
448 1 28 THR HG1 1 30 ASP H 4.100 2.300 6.500 2.709 1.813 3.536 0.487 16 0 "[ . 1 . 2]" 1
449 1 28 THR MG 1 29 PHE HA 4.100 2.300 6.500 3.777 3.580 4.076 . 0 0 "[ . 1 . 2]" 1
450 1 29 PHE H 1 29 PHE HA 2.700 . 3.600 2.930 2.768 2.990 . 0 0 "[ . 1 . 2]" 1
451 1 29 PHE H 1 30 ASP H 2.700 . 4.100 2.698 1.950 3.314 . 0 0 "[ . 1 . 2]" 1
452 1 29 PHE H 1 31 ASN H 4.100 2.300 6.000 4.254 3.016 5.438 . 0 0 "[ . 1 . 2]" 1
453 1 29 PHE HA 1 30 ASP H 3.400 . 5.000 3.529 3.138 3.599 . 0 0 "[ . 1 . 2]" 1
454 1 29 PHE HA 1 31 ASN H 4.100 2.300 6.000 5.385 3.786 6.166 0.166 5 0 "[ . 1 . 2]" 1
455 1 29 PHE HB2 1 30 ASP H 3.400 . 5.000 3.034 1.922 4.506 . 0 0 "[ . 1 . 2]" 1
456 1 29 PHE HB2 1 30 ASP HA 4.100 2.300 6.000 5.246 4.131 5.810 . 0 0 "[ . 1 . 2]" 1
457 1 29 PHE HB3 1 30 ASP H 3.400 . 5.000 2.669 1.859 3.868 . 0 0 "[ . 1 . 2]" 1
458 1 29 PHE HB3 1 30 ASP HA 4.100 2.300 6.000 4.308 3.832 4.812 . 0 0 "[ . 1 . 2]" 1
459 1 30 ASP H 1 31 ASN H 2.700 . 3.600 2.605 1.830 3.521 . 0 0 "[ . 1 . 2]" 1
460 1 30 ASP HA 1 31 ASN H 3.400 . 5.000 3.532 3.259 3.591 . 0 0 "[ . 1 . 2]" 1
461 1 31 ASN H 1 31 ASN HA 2.700 . 3.600 2.940 2.850 2.990 . 0 0 "[ . 1 . 2]" 1
462 1 31 ASN H 1 32 ILE H 4.100 2.300 6.000 3.909 2.670 4.540 . 0 0 "[ . 1 . 2]" 1
463 1 31 ASN HA 1 32 ILE H 3.400 . 5.000 2.960 2.388 3.579 . 0 0 "[ . 1 . 2]" 1
464 1 31 ASN HB2 1 32 ILE HA 4.100 2.300 6.000 4.951 4.164 5.785 . 0 0 "[ . 1 . 2]" 1
465 1 31 ASN HB3 1 32 ILE HA 4.100 2.300 6.000 4.638 4.125 5.768 . 0 0 "[ . 1 . 2]" 1
466 1 32 ILE H 1 32 ILE HB 2.700 . 5.000 3.205 2.718 3.887 . 0 0 "[ . 1 . 2]" 1
467 1 32 ILE H 1 33 ILE H 4.100 2.300 6.000 2.910 2.325 4.430 . 0 0 "[ . 1 . 2]" 1
468 1 32 ILE HA 1 33 ILE H 2.700 . 3.600 3.437 2.420 3.591 . 0 0 "[ . 1 . 2]" 1
469 1 32 ILE HB 1 33 ILE H 2.700 . 3.600 2.439 1.796 3.724 0.124 4 0 "[ . 1 . 2]" 1
470 1 32 ILE MD 1 33 ILE H 3.400 . 5.500 3.938 1.789 4.579 0.011 7 0 "[ . 1 . 2]" 1
471 1 32 ILE HG12 1 33 ILE H 2.700 . 3.600 3.554 3.268 3.821 0.221 17 0 "[ . 1 . 2]" 1
472 1 32 ILE HG13 1 33 ILE H 3.400 . 5.000 3.702 2.086 4.468 . 0 0 "[ . 1 . 2]" 1
473 1 32 ILE MG 1 33 ILE H 2.700 . 4.100 2.887 1.728 3.548 0.072 17 0 "[ . 1 . 2]" 1
474 1 33 ILE H 1 33 ILE HA 2.700 . 3.600 2.961 2.938 2.991 . 0 0 "[ . 1 . 2]" 1
475 1 33 ILE H 1 34 ARG H 4.100 2.300 6.000 4.599 4.457 4.659 . 0 0 "[ . 1 . 2]" 1
476 1 33 ILE HA 1 34 ARG H 2.300 . 2.800 2.322 2.237 2.490 . 0 0 "[ . 1 . 2]" 1
477 1 33 ILE HA 1 34 ARG HA 4.100 2.300 6.000 4.480 4.452 4.523 . 0 0 "[ . 1 . 2]" 1
478 1 33 ILE HA 1 35 ARG H 4.100 2.300 6.000 5.830 5.582 6.052 0.052 13 0 "[ . 1 . 2]" 1
479 1 33 ILE HB 1 34 ARG H 2.700 . 3.600 3.528 3.295 3.669 0.069 18 0 "[ . 1 . 2]" 1
480 1 33 ILE HB 1 35 ARG H 4.100 2.300 6.000 4.852 4.462 5.274 . 0 0 "[ . 1 . 2]" 1
481 1 33 ILE MD 1 34 ARG H 4.100 2.300 6.500 4.016 3.781 4.300 . 0 0 "[ . 1 . 2]" 1
482 1 33 ILE HG12 1 34 ARG H 3.400 . 5.000 5.105 5.009 5.190 0.190 3 0 "[ . 1 . 2]" 1
483 1 33 ILE HG13 1 34 ARG H 4.100 2.300 6.000 5.311 5.104 5.498 . 0 0 "[ . 1 . 2]" 1
484 1 33 ILE MG 1 34 ARG H 2.700 . 4.100 2.244 1.885 2.527 . 0 0 "[ . 1 . 2]" 1
485 1 33 ILE MG 1 35 ARG H 3.400 . 5.500 4.337 4.042 4.512 . 0 0 "[ . 1 . 2]" 1
486 1 33 ILE MG 1 35 ARG QH 3.400 . 5.500 2.619 1.961 3.597 . 0 0 "[ . 1 . 2]" 1
487 1 34 ARG H 1 34 ARG HA 2.700 . 3.600 2.954 2.939 2.965 . 0 0 "[ . 1 . 2]" 1
488 1 34 ARG H 1 35 ARG H 3.400 . 5.000 3.970 3.812 4.124 . 0 0 "[ . 1 . 2]" 1
489 1 34 ARG HA 1 35 ARG H 2.300 . 2.800 2.112 2.059 2.138 . 0 0 "[ . 1 . 2]" 1
490 1 34 ARG QB 1 35 ARG H 2.700 . 4.100 3.817 3.708 3.877 . 0 0 "[ . 1 . 2]" 1
491 1 34 ARG QD 1 35 ARG H 3.400 . 5.500 4.957 4.641 5.100 . 0 0 "[ . 1 . 2]" 1
492 1 34 ARG HG2 1 35 ARG H 2.700 . 3.600 3.570 3.330 3.679 0.079 10 0 "[ . 1 . 2]" 1
493 1 34 ARG HG2 1 36 GLY H 4.100 2.300 6.000 4.915 4.551 5.282 . 0 0 "[ . 1 . 2]" 1
494 1 34 ARG HG3 1 35 ARG H 2.700 . 3.600 3.226 2.832 3.465 . 0 0 "[ . 1 . 2]" 1
495 1 34 ARG HG3 1 36 GLY H 4.100 2.300 6.000 6.069 5.942 6.197 0.197 13 0 "[ . 1 . 2]" 1
496 1 35 ARG H 1 35 ARG HA 2.700 . 3.600 2.945 2.927 2.980 . 0 0 "[ . 1 . 2]" 1
497 1 35 ARG H 1 36 GLY H 4.100 2.300 6.000 4.486 4.265 4.600 . 0 0 "[ . 1 . 2]" 1
498 1 35 ARG HA 1 36 GLY H 2.700 . 3.600 2.207 2.158 2.257 . 0 0 "[ . 1 . 2]" 1
499 1 35 ARG HB2 1 36 GLY H 3.400 . 5.000 4.130 3.415 4.409 . 0 0 "[ . 1 . 2]" 1
500 1 35 ARG HB2 1 58 ASN H 4.100 2.300 6.000 6.003 4.587 6.157 0.157 4 0 "[ . 1 . 2]" 1
501 1 35 ARG QG 1 58 ASN H 4.100 2.300 6.500 4.892 4.101 5.268 . 0 0 "[ . 1 . 2]" 1
502 1 35 ARG HG2 1 36 GLY H 4.100 2.300 6.000 4.861 4.381 5.450 . 0 0 "[ . 1 . 2]" 1
503 1 35 ARG HG3 1 36 GLY H 3.400 . 5.000 4.665 3.929 4.977 . 0 0 "[ . 1 . 2]" 1
504 1 35 ARG HG3 1 58 ASN HD21 3.400 . 5.000 4.185 2.769 4.736 . 0 0 "[ . 1 . 2]" 1
505 1 35 ARG QH 1 59 LEU H 4.100 2.300 6.500 4.470 3.727 5.108 . 0 0 "[ . 1 . 2]" 1
506 1 35 ARG QH 1 59 LEU HB2 4.100 2.300 6.000 4.118 2.488 4.788 . 0 0 "[ . 1 . 2]" 1
507 1 35 ARG QH 1 59 LEU MD2 4.100 2.300 6.500 2.286 1.710 3.703 0.590 18 4 "[ * . 1- *. + 2]" 1
508 1 36 GLY H 1 36 GLY HA2 2.700 . 3.600 2.964 2.923 2.993 . 0 0 "[ . 1 . 2]" 1
509 1 36 GLY H 1 36 GLY HA3 2.700 . 3.600 2.644 2.522 2.735 . 0 0 "[ . 1 . 2]" 1
510 1 36 GLY H 1 37 CYS H 3.400 . 5.000 4.229 4.100 4.422 . 0 0 "[ . 1 . 2]" 1
511 1 36 GLY H 1 58 ASN HD21 2.700 . 3.600 2.016 1.795 2.818 0.005 10 0 "[ . 1 . 2]" 1
512 1 36 GLY H 1 58 ASN HD22 3.400 . 5.000 2.835 2.242 3.690 . 0 0 "[ . 1 . 2]" 1
513 1 36 GLY HA2 1 37 CYS H 2.300 . 2.800 2.872 2.634 2.958 0.158 1 0 "[ . 1 . 2]" 1
514 1 36 GLY HA3 1 37 CYS H 2.300 . 2.800 2.340 2.214 2.597 . 0 0 "[ . 1 . 2]" 1
515 1 37 CYS H 1 37 CYS HA 2.700 . 3.600 2.989 2.980 2.995 . 0 0 "[ . 1 . 2]" 1
516 1 37 CYS H 1 38 GLY H 4.100 2.300 6.000 4.299 4.144 4.414 . 0 0 "[ . 1 . 2]" 1
517 1 37 CYS H 1 39 CYS H 4.100 2.300 7.000 6.864 6.507 7.152 0.152 18 0 "[ . 1 . 2]" 1
518 1 37 CYS HA 1 38 GLY H 2.300 . 2.800 2.210 2.175 2.236 . 0 0 "[ . 1 . 2]" 1
519 1 37 CYS HA 1 38 GLY HA2 4.100 2.300 6.000 4.481 4.414 4.522 . 0 0 "[ . 1 . 2]" 1
520 1 37 CYS HA 1 38 GLY HA3 4.100 2.300 6.000 4.464 4.431 4.489 . 0 0 "[ . 1 . 2]" 1
521 1 37 CYS HB2 1 38 GLY H 3.400 . 5.000 3.871 3.424 4.509 . 0 0 "[ . 1 . 2]" 1
522 1 37 CYS HB3 1 38 GLY H 3.400 . 5.000 4.030 3.441 4.423 . 0 0 "[ . 1 . 2]" 1
523 1 38 GLY H 1 38 GLY HA2 2.700 . 3.600 2.449 2.372 2.554 . 0 0 "[ . 1 . 2]" 1
524 1 38 GLY H 1 38 GLY HA3 2.700 . 3.600 2.968 2.933 3.002 . 0 0 "[ . 1 . 2]" 1
525 1 38 GLY H 1 39 CYS H 3.400 . 5.000 4.330 3.939 4.572 . 0 0 "[ . 1 . 2]" 1
526 1 38 GLY H 1 51 CYS HA 3.400 . 5.000 5.282 5.189 5.422 0.422 15 0 "[ . 1 . 2]" 1
527 1 38 GLY HA2 1 39 CYS H 2.300 . 2.800 2.611 2.210 2.923 0.123 4 0 "[ . 1 . 2]" 1
528 1 38 GLY HA3 1 39 CYS H 2.700 . 3.600 2.658 2.293 3.103 . 0 0 "[ . 1 . 2]" 1
529 1 39 CYS H 1 39 CYS HA 2.700 . 3.600 2.928 2.831 2.998 . 0 0 "[ . 1 . 2]" 1
530 1 39 CYS H 1 40 PHE H 4.100 2.300 6.000 4.568 4.376 4.712 . 0 0 "[ . 1 . 2]" 1
531 1 39 CYS H 1 51 CYS HB3 4.100 2.300 6.000 5.592 4.650 6.163 0.163 4 0 "[ . 1 . 2]" 1
532 1 39 CYS HA 1 40 PHE H 2.700 . 3.600 2.406 2.212 2.727 . 0 0 "[ . 1 . 2]" 1
533 1 39 CYS HA 1 40 PHE QE 4.100 2.300 6.500 4.611 4.060 5.095 . 0 0 "[ . 1 . 2]" 1
534 1 39 CYS HA 1 51 CYS HB2 4.100 2.300 6.000 3.579 2.252 5.153 0.048 11 0 "[ . 1 . 2]" 1
535 1 39 CYS HA 1 51 CYS HB3 4.100 2.300 6.000 4.265 3.651 4.880 . 0 0 "[ . 1 . 2]" 1
536 1 39 CYS HB2 1 40 PHE H 2.700 . 3.600 3.555 2.915 3.788 0.188 2 0 "[ . 1 . 2]" 1
537 1 39 CYS HB2 1 40 PHE QE 4.100 2.300 6.500 4.958 4.396 5.406 . 0 0 "[ . 1 . 2]" 1
538 1 39 CYS HB2 1 43 ARG H 4.100 2.300 6.000 6.070 6.009 6.148 0.148 15 0 "[ . 1 . 2]" 1
539 1 39 CYS HB2 1 51 CYS HA 4.100 2.300 6.000 6.081 5.793 6.233 0.233 8 0 "[ . 1 . 2]" 1
540 1 39 CYS HB2 1 51 CYS HB2 4.100 2.300 6.000 4.840 3.784 5.846 . 0 0 "[ . 1 . 2]" 1
541 1 39 CYS HB2 1 51 CYS HB3 4.100 2.300 6.000 5.188 4.696 5.620 . 0 0 "[ . 1 . 2]" 1
542 1 39 CYS HB3 1 40 PHE H 2.700 . 3.600 2.471 1.948 2.857 . 0 0 "[ . 1 . 2]" 1
543 1 39 CYS HB3 1 40 PHE QD 4.100 2.300 6.500 3.443 2.530 4.066 . 0 0 "[ . 1 . 2]" 1
544 1 39 CYS HB3 1 40 PHE QE 4.100 2.300 6.500 3.618 3.109 4.042 . 0 0 "[ . 1 . 2]" 1
545 1 39 CYS HB3 1 51 CYS HA 4.100 2.300 6.000 5.193 4.526 5.730 . 0 0 "[ . 1 . 2]" 1
546 1 39 CYS HB3 1 51 CYS HB2 3.400 . 5.000 3.652 2.203 5.162 0.162 13 0 "[ . 1 . 2]" 1
547 1 39 CYS HB3 1 51 CYS HB3 3.400 . 5.000 4.367 3.242 5.018 0.018 19 0 "[ . 1 . 2]" 1
548 1 39 CYS SG 1 51 CYS SG 1.950 . 2.100 2.018 2.013 2.025 . 0 0 "[ . 1 . 2]" 1
549 1 40 PHE H 1 40 PHE HA 2.700 . 3.600 2.877 2.854 2.937 . 0 0 "[ . 1 . 2]" 1
550 1 40 PHE H 1 41 THR H 3.400 . 5.000 4.618 4.545 4.682 . 0 0 "[ . 1 . 2]" 1
551 1 40 PHE H 1 49 PRO HB2 3.400 . 5.000 4.734 4.334 5.128 0.128 5 0 "[ . 1 . 2]" 1
552 1 40 PHE H 1 49 PRO HB3 4.100 2.300 6.000 5.626 4.749 5.950 . 0 0 "[ . 1 . 2]" 1
553 1 40 PHE H 1 49 PRO HD3 4.100 2.300 7.000 6.877 6.188 7.198 0.198 15 0 "[ . 1 . 2]" 1
554 1 40 PHE H 1 49 PRO HG2 2.700 . 4.600 4.476 4.196 4.942 0.342 8 0 "[ . 1 . 2]" 1
555 1 40 PHE H 1 51 CYS HA 4.100 2.300 6.000 5.320 4.544 6.047 0.047 9 0 "[ . 1 . 2]" 1
556 1 40 PHE HA 1 40 PHE QD 3.400 . 5.500 3.454 3.372 3.632 . 0 0 "[ . 1 . 2]" 1
557 1 40 PHE HA 1 40 PHE QE 4.100 2.300 6.500 5.450 5.339 5.566 . 0 0 "[ . 1 . 2]" 1
558 1 40 PHE HA 1 41 THR H 2.700 . 3.600 2.575 2.467 2.661 . 0 0 "[ . 1 . 2]" 1
559 1 40 PHE HB2 1 41 THR H 3.400 . 5.000 2.212 2.081 2.353 . 0 0 "[ . 1 . 2]" 1
560 1 40 PHE HB2 1 43 ARG H 3.400 . 5.000 4.585 4.054 5.059 0.059 5 0 "[ . 1 . 2]" 1
561 1 40 PHE HB3 1 41 THR H 3.400 . 5.000 3.337 3.011 3.646 . 0 0 "[ . 1 . 2]" 1
562 1 40 PHE HB3 1 42 PRO HD3 3.400 . 5.000 4.751 4.455 4.984 . 0 0 "[ . 1 . 2]" 1
563 1 40 PHE HB3 1 43 ARG HA 4.100 2.300 6.000 5.820 5.467 6.076 0.076 2 0 "[ . 1 . 2]" 1
564 1 40 PHE QD 1 41 THR H 2.700 . 4.100 3.875 3.667 3.954 . 0 0 "[ . 1 . 2]" 1
565 1 40 PHE QE 1 41 THR H 4.100 2.300 6.500 5.948 5.740 6.057 . 0 0 "[ . 1 . 2]" 1
566 1 40 PHE QE 1 49 PRO HA 4.100 2.300 6.500 4.801 4.205 5.499 . 0 0 "[ . 1 . 2]" 1
567 1 40 PHE QE 1 49 PRO HB2 3.400 . 5.500 3.439 1.863 4.672 . 0 0 "[ . 1 . 2]" 1
568 1 40 PHE QE 1 49 PRO HB3 3.400 . 5.500 3.915 3.232 4.525 . 0 0 "[ . 1 . 2]" 1
569 1 40 PHE QE 1 49 PRO HD2 2.700 . 4.100 3.797 3.444 4.145 0.045 19 0 "[ . 1 . 2]" 1
570 1 40 PHE QE 1 49 PRO HD3 3.400 . 5.500 3.965 2.680 4.784 . 0 0 "[ . 1 . 2]" 1
571 1 40 PHE QE 1 49 PRO HG2 3.400 . 5.500 3.009 1.724 3.747 0.076 5 0 "[ . 1 . 2]" 1
572 1 40 PHE QE 1 49 PRO HG3 3.400 . 5.500 3.229 2.274 4.021 . 0 0 "[ . 1 . 2]" 1
573 1 41 THR H 1 41 THR HA 2.700 . 3.600 2.920 2.873 2.961 . 0 0 "[ . 1 . 2]" 1
574 1 41 THR H 1 41 THR HB 2.700 . 5.000 2.641 2.204 2.932 . 0 0 "[ . 1 . 2]" 1
575 1 41 THR H 1 42 PRO HD2 4.100 2.300 6.000 2.134 2.054 2.195 0.246 15 0 "[ . 1 . 2]" 1
576 1 41 THR HA 1 42 PRO HD3 2.700 . 3.600 3.706 3.668 3.742 0.142 5 0 "[ . 1 . 2]" 1
577 1 41 THR HB 1 42 PRO HD3 2.300 . 2.800 1.799 1.754 1.842 0.046 1 0 "[ . 1 . 2]" 1
578 1 41 THR MG 1 43 ARG H 3.400 . 5.500 4.392 4.116 4.565 . 0 0 "[ . 1 . 2]" 1
579 1 42 PRO HA 1 43 ARG H 2.300 . 2.800 2.825 2.794 2.879 0.079 15 0 "[ . 1 . 2]" 1
580 1 42 PRO HB2 1 43 ARG H 3.400 . 5.000 4.362 4.347 4.376 . 0 0 "[ . 1 . 2]" 1
581 1 42 PRO HB3 1 43 ARG H 3.400 . 5.000 4.711 4.696 4.730 . 0 0 "[ . 1 . 2]" 1
582 1 43 ARG H 1 43 ARG HA 2.700 . 3.600 2.838 2.804 2.891 . 0 0 "[ . 1 . 2]" 1
583 1 43 ARG H 1 47 PRO HB2 4.100 2.300 7.000 6.847 6.230 7.107 0.107 5 0 "[ . 1 . 2]" 1
584 1 43 ARG H 1 47 PRO HG2 4.100 2.300 7.000 5.423 5.016 5.827 . 0 0 "[ . 1 . 2]" 1
585 1 43 ARG HA 1 44 GLY H 2.700 . 3.600 2.427 2.192 2.969 . 0 0 "[ . 1 . 2]" 1
586 1 43 ARG HB2 1 44 GLY QA 3.400 . 5.500 4.182 3.694 5.118 . 0 0 "[ . 1 . 2]" 1
587 1 43 ARG HB3 1 44 GLY H 3.400 . 5.000 3.849 3.367 4.401 . 0 0 "[ . 1 . 2]" 1
588 1 43 ARG HB3 1 44 GLY QA 3.400 . 5.500 4.964 4.393 5.149 . 0 0 "[ . 1 . 2]" 1
589 1 43 ARG HG2 1 44 GLY QA 3.400 . 5.500 4.201 2.895 4.987 . 0 0 "[ . 1 . 2]" 1
590 1 43 ARG HG3 1 44 GLY H 3.400 . 5.000 3.425 1.852 4.948 . 0 0 "[ . 1 . 2]" 1
591 1 43 ARG HG3 1 44 GLY QA 3.400 . 5.500 3.686 3.000 4.927 . 0 0 "[ . 1 . 2]" 1
592 1 44 GLY H 1 44 GLY HA2 2.300 . 2.800 2.725 2.521 2.808 0.008 4 0 "[ . 1 . 2]" 1
593 1 44 GLY H 1 44 GLY HA3 2.300 . 2.800 2.898 2.848 2.963 0.163 19 0 "[ . 1 . 2]" 1
594 1 44 GLY H 1 45 ASP H 3.400 . 5.000 4.387 4.339 4.462 . 0 0 "[ . 1 . 2]" 1
595 1 44 GLY QA 1 45 ASP HA 3.400 . 5.500 3.993 3.985 4.006 . 0 0 "[ . 1 . 2]" 1
596 1 44 GLY HA2 1 45 ASP H 2.700 . 3.600 2.745 2.629 2.875 . 0 0 "[ . 1 . 2]" 1
597 1 44 GLY HA2 1 46 MET H 4.100 2.300 6.000 4.374 4.118 4.841 . 0 0 "[ . 1 . 2]" 1
598 1 44 GLY HA3 1 45 ASP H 2.700 . 3.600 2.497 2.384 2.607 . 0 0 "[ . 1 . 2]" 1
599 1 44 GLY HA3 1 46 MET H 4.100 2.300 6.000 3.249 3.022 3.741 . 0 0 "[ . 1 . 2]" 1
600 1 45 ASP H 1 45 ASP HA 2.700 . 3.600 2.957 2.946 2.963 . 0 0 "[ . 1 . 2]" 1
601 1 45 ASP H 1 46 MET H 2.700 . 3.600 2.365 2.217 2.589 . 0 0 "[ . 1 . 2]" 1
602 1 45 ASP HA 1 46 MET H 3.400 . 5.000 3.392 3.200 3.560 . 0 0 "[ . 1 . 2]" 1
603 1 45 ASP HB2 1 46 MET H 3.400 . 5.000 3.800 2.686 4.357 . 0 0 "[ . 1 . 2]" 1
604 1 45 ASP HB3 1 46 MET H 3.400 . 5.000 3.763 2.748 4.486 . 0 0 "[ . 1 . 2]" 1
605 1 46 MET H 1 46 MET HA 2.700 . 3.600 2.882 2.764 2.937 . 0 0 "[ . 1 . 2]" 1
606 1 46 MET HA 1 47 PRO HD2 3.400 . 5.000 3.902 3.850 3.998 . 0 0 "[ . 1 . 2]" 1
607 1 46 MET HA 1 47 PRO HD3 2.700 . 3.600 3.707 3.688 3.741 0.141 15 0 "[ . 1 . 2]" 1
608 1 46 MET HA 1 47 PRO HG2 3.400 . 6.000 5.928 5.892 5.987 . 0 0 "[ . 1 . 2]" 1
609 1 46 MET HA 1 47 PRO HG3 3.400 . 6.000 5.840 5.805 5.864 . 0 0 "[ . 1 . 2]" 1
610 1 47 PRO HA 1 48 GLY H 2.700 . 3.600 2.396 2.246 2.578 . 0 0 "[ . 1 . 2]" 1
611 1 47 PRO HA 1 49 PRO HD2 3.400 . 5.000 5.027 4.819 5.130 0.130 6 0 "[ . 1 . 2]" 1
612 1 47 PRO HA 1 49 PRO HD3 3.400 . 5.000 3.660 3.468 4.030 . 0 0 "[ . 1 . 2]" 1
613 1 47 PRO HB2 1 48 GLY H 3.400 . 5.000 2.865 2.490 3.144 . 0 0 "[ . 1 . 2]" 1
614 1 47 PRO HB3 1 48 GLY H 2.700 . 3.600 3.615 3.469 3.696 0.096 5 0 "[ . 1 . 2]" 1
615 1 47 PRO HG2 1 48 GLY H 3.400 . 5.000 4.738 4.410 4.960 . 0 0 "[ . 1 . 2]" 1
616 1 48 GLY H 1 48 GLY HA2 2.300 . 2.800 2.947 2.921 2.964 0.164 8 0 "[ . 1 . 2]" 1
617 1 48 GLY H 1 48 GLY HA3 2.700 . 3.600 2.637 2.585 2.705 . 0 0 "[ . 1 . 2]" 1
618 1 48 GLY H 1 49 PRO HD2 3.400 . 5.000 3.615 3.344 3.815 . 0 0 "[ . 1 . 2]" 1
619 1 49 PRO HA 1 50 TYR H 2.700 . 3.600 2.758 2.629 2.874 . 0 0 "[ . 1 . 2]" 1
620 1 49 PRO HB2 1 50 TYR H 3.400 . 5.000 2.052 1.862 2.411 . 0 0 "[ . 1 . 2]" 1
621 1 49 PRO HB3 1 50 TYR H 4.100 2.300 6.000 3.240 3.079 3.450 . 0 0 "[ . 1 . 2]" 1
622 1 49 PRO HG3 1 50 TYR H 3.400 . 5.000 4.727 4.533 5.028 0.028 15 0 "[ . 1 . 2]" 1
623 1 50 TYR H 1 51 CYS H 3.400 . 5.000 3.954 3.359 4.496 . 0 0 "[ . 1 . 2]" 1
624 1 50 TYR HA 1 51 CYS H 2.300 . 2.800 2.316 2.152 2.592 . 0 0 "[ . 1 . 2]" 1
625 1 50 TYR HB2 1 51 CYS H 4.100 2.300 6.000 4.520 3.973 4.715 . 0 0 "[ . 1 . 2]" 1
626 1 50 TYR HB3 1 51 CYS H 4.100 2.300 6.000 3.867 2.685 4.337 . 0 0 "[ . 1 . 2]" 1
627 1 50 TYR QD 1 51 CYS H 3.400 . 5.500 3.643 2.533 4.666 . 0 0 "[ . 1 . 2]" 1
628 1 51 CYS H 1 52 CYS H 3.400 . 5.000 4.371 3.918 4.619 . 0 0 "[ . 1 . 2]" 1
629 1 51 CYS HA 1 52 CYS H 2.300 . 2.800 2.254 2.164 2.440 . 0 0 "[ . 1 . 2]" 1
630 1 51 CYS HB2 1 52 CYS H 3.400 . 5.000 4.359 3.930 4.579 . 0 0 "[ . 1 . 2]" 1
631 1 51 CYS HB3 1 52 CYS H 2.700 . 3.600 3.766 3.658 3.856 0.256 10 0 "[ . 1 . 2]" 1
632 1 52 CYS H 1 52 CYS HA 2.700 . 3.600 2.975 2.926 2.999 . 0 0 "[ . 1 . 2]" 1
633 1 52 CYS H 1 53 GLU H 3.400 . 5.000 4.436 4.312 4.563 . 0 0 "[ . 1 . 2]" 1
634 1 52 CYS HA 1 53 GLU H 2.300 . 2.800 2.349 2.197 2.487 . 0 0 "[ . 1 . 2]" 1
635 1 52 CYS HA 1 57 CYS HB2 4.100 2.300 6.000 5.631 4.812 6.030 0.030 15 0 "[ . 1 . 2]" 1
636 1 52 CYS HA 1 57 CYS HB3 4.100 2.300 6.000 4.995 4.318 5.973 . 0 0 "[ . 1 . 2]" 1
637 1 52 CYS HB2 1 53 GLU H 2.700 . 3.600 3.660 2.997 3.861 0.261 1 0 "[ . 1 . 2]" 1
638 1 52 CYS HB2 1 54 SER H 3.400 . 5.000 4.168 2.061 5.057 0.057 17 0 "[ . 1 . 2]" 1
639 1 52 CYS HB2 1 57 CYS HA 4.100 2.300 6.000 5.251 4.248 5.783 . 0 0 "[ . 1 . 2]" 1
640 1 52 CYS HB2 1 57 CYS HB2 3.400 . 5.000 4.120 1.999 4.967 . 0 0 "[ . 1 . 2]" 1
641 1 52 CYS HB2 1 57 CYS HB3 4.100 2.300 6.000 3.241 2.296 3.884 0.004 3 0 "[ . 1 . 2]" 1
642 1 52 CYS HB3 1 53 GLU H 2.700 . 3.600 3.531 2.283 3.744 0.144 18 0 "[ . 1 . 2]" 1
643 1 52 CYS HB3 1 54 SER H 2.700 . 3.600 3.506 2.553 3.774 0.174 2 0 "[ . 1 . 2]" 1
644 1 52 CYS HB3 1 57 CYS HA 4.100 2.300 6.000 5.003 4.504 6.103 0.103 8 0 "[ . 1 . 2]" 1
645 1 52 CYS HB3 1 57 CYS HB2 3.400 . 5.000 3.507 2.881 4.365 . 0 0 "[ . 1 . 2]" 1
646 1 52 CYS HB3 1 57 CYS HB3 3.400 . 5.000 2.628 1.779 4.598 0.021 19 0 "[ . 1 . 2]" 1
647 1 52 CYS SG 1 57 CYS SG 1.950 . 2.100 2.020 2.016 2.025 . 0 0 "[ . 1 . 2]" 1
648 1 53 GLU H 1 53 GLU HA 2.700 . 3.600 2.970 2.924 2.990 . 0 0 "[ . 1 . 2]" 1
649 1 53 GLU H 1 54 SER H 2.700 . 4.100 3.048 1.815 3.450 . 0 0 "[ . 1 . 2]" 1
650 1 53 GLU HA 1 54 SER H 2.700 . 4.100 2.752 2.476 3.430 . 0 0 "[ . 1 . 2]" 1
651 1 53 GLU HA 1 54 SER HA 4.100 2.300 6.000 4.439 4.331 4.675 . 0 0 "[ . 1 . 2]" 1
652 1 53 GLU HB2 1 54 SER H 3.400 . 5.000 4.180 3.183 4.392 . 0 0 "[ . 1 . 2]" 1
653 1 53 GLU HB3 1 54 SER H 3.400 . 5.000 4.459 4.231 4.606 . 0 0 "[ . 1 . 2]" 1
654 1 53 GLU QG 1 54 SER H 3.400 . 5.500 4.339 3.914 4.496 . 0 0 "[ . 1 . 2]" 1
655 1 54 SER H 1 54 SER HA 2.700 . 3.600 2.948 2.915 2.981 . 0 0 "[ . 1 . 2]" 1
656 1 54 SER H 1 55 ASP H 4.100 2.300 6.000 4.427 4.299 4.650 . 0 0 "[ . 1 . 2]" 1
657 1 54 SER HA 1 55 ASP H 2.300 . 2.800 2.362 2.262 2.452 . 0 0 "[ . 1 . 2]" 1
658 1 54 SER HB2 1 55 ASP H 2.700 . 3.600 3.240 2.935 3.687 0.087 10 0 "[ . 1 . 2]" 1
659 1 54 SER HB3 1 55 ASP H 2.700 . 3.600 3.279 2.689 3.700 0.100 10 0 "[ . 1 . 2]" 1
660 1 54 SER O 1 57 CYS H 2.000 . 2.500 2.598 2.526 2.678 0.178 2 0 "[ . 1 . 2]" 1
661 1 55 ASP H 1 55 ASP HA 2.700 . 3.600 2.881 2.872 2.890 . 0 0 "[ . 1 . 2]" 1
662 1 55 ASP H 1 56 LYS H 4.100 2.300 6.000 4.646 4.609 4.668 . 0 0 "[ . 1 . 2]" 1
663 1 55 ASP H 1 57 CYS HB2 4.100 2.300 6.000 4.555 4.061 5.998 . 0 0 "[ . 1 . 2]" 1
664 1 55 ASP HA 1 56 LYS H 2.300 . 2.800 2.286 2.204 2.365 . 0 0 "[ . 1 . 2]" 1
665 1 55 ASP HA 1 57 CYS H 4.100 2.300 6.000 3.475 3.219 3.680 . 0 0 "[ . 1 . 2]" 1
666 1 55 ASP HB2 1 56 LYS H 2.700 . 3.600 3.572 2.897 3.851 0.251 11 0 "[ . 1 . 2]" 1
667 1 55 ASP HB3 1 56 LYS H 3.400 . 5.000 3.070 2.649 4.059 . 0 0 "[ . 1 . 2]" 1
668 1 56 LYS H 1 56 LYS HA 2.700 . 3.600 2.365 2.345 2.385 . 0 0 "[ . 1 . 2]" 1
669 1 56 LYS H 1 57 CYS H 2.700 . 4.100 2.915 2.760 3.073 . 0 0 "[ . 1 . 2]" 1
670 1 56 LYS H 1 58 ASN H 4.100 2.300 6.000 4.719 4.515 4.979 . 0 0 "[ . 1 . 2]" 1
671 1 56 LYS H 1 58 ASN HD22 4.100 2.300 6.000 5.893 5.599 6.066 0.066 10 0 "[ . 1 . 2]" 1
672 1 56 LYS HA 1 57 CYS H 2.700 . 4.100 2.928 2.813 3.081 . 0 0 "[ . 1 . 2]" 1
673 1 56 LYS HA 1 58 ASN H 3.400 . 5.000 3.518 3.241 3.809 . 0 0 "[ . 1 . 2]" 1
674 1 56 LYS HB2 1 57 CYS H 3.400 . 5.000 4.366 4.020 4.674 . 0 0 "[ . 1 . 2]" 1
675 1 56 LYS HB3 1 57 CYS H 3.400 . 5.000 4.513 4.190 4.670 . 0 0 "[ . 1 . 2]" 1
676 1 56 LYS HG2 1 58 ASN H 4.100 2.300 6.000 5.742 4.557 6.086 0.086 6 0 "[ . 1 . 2]" 1
677 1 57 CYS H 1 57 CYS HA 2.700 . 3.600 2.917 2.838 2.963 . 0 0 "[ . 1 . 2]" 1
678 1 57 CYS H 1 58 ASN H 2.700 . 3.600 2.554 2.397 2.774 . 0 0 "[ . 1 . 2]" 1
679 1 57 CYS HA 1 58 ASN H 3.400 . 5.000 3.510 3.430 3.577 . 0 0 "[ . 1 . 2]" 1
680 1 57 CYS HB2 1 58 ASN H 4.100 2.300 6.000 4.086 3.806 4.323 . 0 0 "[ . 1 . 2]" 1
681 1 57 CYS HB2 1 59 LEU H 4.100 2.300 6.000 5.539 4.610 6.017 0.017 6 0 "[ . 1 . 2]" 1
682 1 57 CYS HB3 1 58 ASN H 4.100 2.300 6.000 3.209 2.915 4.133 . 0 0 "[ . 1 . 2]" 1
683 1 57 CYS O 1 59 LEU H 2.000 . 2.500 2.423 1.654 2.571 0.071 10 0 "[ . 1 . 2]" 1
684 1 58 ASN H 1 58 ASN HA 2.300 . 2.800 2.890 2.755 2.949 0.149 6 0 "[ . 1 . 2]" 1
685 1 58 ASN H 1 59 LEU H 2.700 . 4.100 3.109 2.708 3.799 . 0 0 "[ . 1 . 2]" 1
686 1 58 ASN HA 1 58 ASN HD21 4.100 2.300 5.100 4.382 3.252 4.730 . 0 0 "[ . 1 . 2]" 1
687 1 58 ASN HA 1 59 LEU H 3.400 . 5.000 2.969 2.499 3.508 . 0 0 "[ . 1 . 2]" 1
688 1 58 ASN HB3 1 59 LEU H 3.400 . 5.000 4.563 4.081 4.718 . 0 0 "[ . 1 . 2]" 1
689 1 58 ASN HD21 1 59 LEU HA 4.100 2.300 7.000 6.911 6.528 7.218 0.218 8 0 "[ . 1 . 2]" 1
690 1 59 LEU H 1 59 LEU HA 2.700 . 3.600 2.966 2.872 2.993 . 0 0 "[ . 1 . 2]" 1
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