NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
654375 |
6w9n   |
30736 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6w9n
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 1372
_Distance_constraint_stats_list.Viol_count 2345
_Distance_constraint_stats_list.Viol_total 3584.668
_Distance_constraint_stats_list.Viol_max 0.939
_Distance_constraint_stats_list.Viol_rms 0.0388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0764
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 6.138 0.545 13 3 "[ * . - + . 2]"
1 3 ALA 6.138 0.545 13 3 "[ * . - + . 2]"
1 4 GLY 1.132 0.461 2 0 "[ . 1 . 2]"
1 5 ARG 1.706 0.574 12 1 "[ . 1 + . 2]"
1 6 SER 0.016 0.016 19 0 "[ . 1 . 2]"
1 7 ALA 0.554 0.203 19 0 "[ . 1 . 2]"
1 8 ALA 0.387 0.089 19 0 "[ . 1 . 2]"
1 9 ASP 0.657 0.099 15 0 "[ . 1 . 2]"
1 10 HIS 0.777 0.203 19 0 "[ . 1 . 2]"
1 11 TRP 2.624 0.538 16 1 "[ . 1 .+ 2]"
1 12 VAL 6.765 0.553 7 3 "[ .-+ 1 . *2]"
1 13 LYS 16.100 0.594 19 5 "[* .-* 1 . * +2]"
1 14 ASP 13.515 0.594 19 5 "[- .** 1 . * +2]"
1 15 GLU 3.282 0.382 16 0 "[ . 1 . 2]"
1 16 GLY 2.660 0.417 19 0 "[ . 1 . 2]"
1 17 GLY 1.567 0.182 12 0 "[ . 1 . 2]"
1 18 ASP 4.429 0.190 20 0 "[ . 1 . 2]"
1 19 SER 1.656 0.190 20 0 "[ . 1 . 2]"
1 20 CYS 5.887 0.153 14 0 "[ . 1 . 2]"
1 21 SER 2.422 0.326 17 0 "[ . 1 . 2]"
1 22 GLY 3.492 0.146 12 0 "[ . 1 . 2]"
1 23 CYS 0.460 0.093 18 0 "[ . 1 . 2]"
1 24 SER 5.671 0.939 1 4 "[+ . 1 - .* * 2]"
1 25 VAL 2.139 0.250 8 0 "[ . 1 . 2]"
1 26 ARG 5.993 0.939 1 4 "[+ . 1 - .* * 2]"
1 27 PHE 6.689 0.208 18 0 "[ . 1 . 2]"
1 28 SER 0.955 0.073 15 0 "[ . 1 . 2]"
1 29 LEU 7.412 0.397 17 0 "[ . 1 . 2]"
1 30 THR 6.566 0.397 17 0 "[ . 1 . 2]"
1 31 GLU 5.696 0.482 11 0 "[ . 1 . 2]"
1 32 ARG 7.535 0.482 11 0 "[ . 1 . 2]"
1 33 ARG 5.857 0.245 17 0 "[ . 1 . 2]"
1 34 HIS 1.526 0.182 7 0 "[ . 1 . 2]"
1 35 HIS 5.865 0.930 13 2 "[ - . 1 + . 2]"
1 36 CYS 6.999 0.272 13 0 "[ . 1 . 2]"
1 37 ARG 2.341 0.737 13 2 "[ - . 1 + . 2]"
1 38 ASN 4.284 0.331 11 0 "[ . 1 . 2]"
1 39 CYS 9.131 0.405 12 0 "[ . 1 . 2]"
1 40 GLY 4.697 0.405 12 0 "[ . 1 . 2]"
1 41 GLN 4.910 0.318 12 0 "[ . 1 . 2]"
1 42 LEU 9.951 0.930 13 5 "[ . 1 *+ . ** -]"
1 43 PHE 17.953 0.326 17 0 "[ . 1 . 2]"
1 44 CYS 5.216 0.208 18 0 "[ . 1 . 2]"
1 45 GLN 0.315 0.227 6 0 "[ . 1 . 2]"
1 46 LYS 1.343 0.454 16 0 "[ . 1 . 2]"
1 47 CYS 5.323 0.199 15 0 "[ . 1 . 2]"
1 48 SER 1.812 0.130 10 0 "[ . 1 . 2]"
1 49 ARG 10.066 0.454 16 0 "[ . 1 . 2]"
1 50 PHE 7.954 0.229 10 0 "[ . 1 . 2]"
1 51 GLN 1.051 0.709 6 1 "[ .+ 1 . 2]"
1 52 SER 10.563 0.872 6 1 "[ .+ 1 . 2]"
1 53 GLU 6.085 0.274 4 0 "[ . 1 . 2]"
1 54 ILE 3.353 0.708 6 1 "[ .+ 1 . 2]"
1 55 LYS 1.687 0.111 8 0 "[ . 1 . 2]"
1 56 ARG 1.196 0.083 2 0 "[ . 1 . 2]"
1 57 LEU 1.782 0.175 17 0 "[ . 1 . 2]"
1 58 LYS 3.991 0.918 10 1 "[ . + . 2]"
1 59 ILE 5.629 0.918 10 1 "[ . + . 2]"
1 60 SER 1.180 0.083 20 0 "[ . 1 . 2]"
1 61 SER 1.647 0.102 8 0 "[ . 1 . 2]"
1 62 PRO 4.593 0.274 4 0 "[ . 1 . 2]"
1 63 VAL 3.791 0.518 9 1 "[ . +1 . 2]"
1 64 ARG 5.406 0.518 9 1 "[ . +1 . 2]"
1 65 VAL 8.803 0.676 6 1 "[ .+ 1 . 2]"
1 66 CYS 3.325 0.149 11 0 "[ . 1 . 2]"
1 67 GLN 7.331 0.889 9 3 "[ . +1 - * 2]"
1 68 ASN 2.380 0.754 15 2 "[ . 1 - + 2]"
1 69 CYS 2.499 0.213 13 0 "[ . 1 . 2]"
1 70 TYR 8.016 0.826 6 1 "[ .+ 1 . 2]"
1 71 TYR 5.096 0.889 9 1 "[ . +1 . 2]"
1 72 ASN 2.091 0.868 3 1 "[ + . 1 . 2]"
1 73 LEU 1.763 0.872 6 1 "[ .+ 1 . 2]"
1 74 GLN 0.215 0.092 7 0 "[ . 1 . 2]"
1 75 HIS 1.886 0.868 3 1 "[ + . 1 . 2]"
1 76 GLU 0.061 0.011 20 0 "[ . 1 . 2]"
1 77 ARG 0.053 0.051 9 0 "[ . 1 . 2]"
1 78 GLY 0.053 0.051 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASN HB2 1 3 ALA MB . . 4.400 4.541 3.524 4.945 0.545 13 3 "[ * . - + . 2]" 1
2 1 2 ASN HB3 1 3 ALA HA . . 4.480 4.403 4.090 4.849 0.369 16 0 "[ . 1 . 2]" 1
3 1 3 ALA MB 1 4 GLY QA . . 4.540 3.545 3.338 3.799 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA MB 1 5 ARG H . . 5.500 5.258 4.372 5.500 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLY H 1 5 ARG H . . 5.500 4.236 3.629 4.647 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLY QA 1 5 ARG H . . 3.940 2.199 2.109 2.283 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLY QA 1 5 ARG HA . . 4.300 3.981 3.932 4.120 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLY QA 1 5 ARG QB . . 3.840 3.674 3.546 3.751 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLY QA 1 5 ARG HG3 . . 5.290 4.933 3.707 5.751 0.461 2 0 "[ . 1 . 2]" 1
10 1 5 ARG H 1 5 ARG HG2 . . 5.500 4.345 3.771 5.232 . 0 0 "[ . 1 . 2]" 1
11 1 5 ARG HA 1 5 ARG QD . . 4.830 3.102 1.987 3.821 . 0 0 "[ . 1 . 2]" 1
12 1 5 ARG HA 1 5 ARG HG3 . . 3.660 3.434 2.832 4.234 0.574 12 1 "[ . 1 + . 2]" 1
13 1 5 ARG QB 1 6 SER H . . 4.270 2.616 2.100 3.457 . 0 0 "[ . 1 . 2]" 1
14 1 5 ARG QB 1 6 SER HA . . 4.720 4.244 3.666 4.597 . 0 0 "[ . 1 . 2]" 1
15 1 5 ARG QD 1 6 SER QB . . 4.430 3.818 2.984 4.213 . 0 0 "[ . 1 . 2]" 1
16 1 5 ARG HG3 1 6 SER H . . 5.500 4.124 2.006 4.934 . 0 0 "[ . 1 . 2]" 1
17 1 6 SER H 1 6 SER QB . . 3.700 2.758 2.168 3.324 . 0 0 "[ . 1 . 2]" 1
18 1 6 SER HA 1 7 ALA MB . . 4.350 4.066 3.794 4.366 0.016 19 0 "[ . 1 . 2]" 1
19 1 6 SER QB 1 7 ALA H . . 5.500 2.527 1.970 3.403 . 0 0 "[ . 1 . 2]" 1
20 1 6 SER QB 1 7 ALA MB . . 4.620 3.894 2.995 4.372 . 0 0 "[ . 1 . 2]" 1
21 1 7 ALA H 1 10 HIS QB . . 5.500 4.744 3.723 5.311 . 0 0 "[ . 1 . 2]" 1
22 1 7 ALA HA 1 8 ALA H . . 3.910 2.869 2.145 3.550 . 0 0 "[ . 1 . 2]" 1
23 1 7 ALA HA 1 9 ASP H . . 5.010 4.076 3.054 5.109 0.099 15 0 "[ . 1 . 2]" 1
24 1 7 ALA MB 1 9 ASP H . . 5.500 2.792 2.147 4.083 . 0 0 "[ . 1 . 2]" 1
25 1 7 ALA MB 1 9 ASP HA . . 5.500 4.761 4.240 5.524 0.024 15 0 "[ . 1 . 2]" 1
26 1 7 ALA MB 1 10 HIS HA . . 4.900 4.429 3.552 5.103 0.203 19 0 "[ . 1 . 2]" 1
27 1 7 ALA MB 1 10 HIS QB . . 4.260 2.704 1.921 4.058 . 0 0 "[ . 1 . 2]" 1
28 1 8 ALA H 1 9 ASP H . . 4.170 2.478 1.942 2.773 . 0 0 "[ . 1 . 2]" 1
29 1 8 ALA H 1 9 ASP QB . . 5.210 4.574 3.977 5.068 . 0 0 "[ . 1 . 2]" 1
30 1 8 ALA HA 1 9 ASP H . . 3.380 3.232 2.697 3.469 0.089 19 0 "[ . 1 . 2]" 1
31 1 8 ALA MB 1 9 ASP H . . 4.420 3.242 2.842 3.709 . 0 0 "[ . 1 . 2]" 1
32 1 8 ALA MB 1 9 ASP HA . . 5.340 4.423 3.898 5.077 . 0 0 "[ . 1 . 2]" 1
33 1 8 ALA MB 1 9 ASP QB . . 5.500 3.503 3.061 4.239 . 0 0 "[ . 1 . 2]" 1
34 1 9 ASP H 1 9 ASP QB . . 3.430 2.799 2.073 3.185 . 0 0 "[ . 1 . 2]" 1
35 1 9 ASP H 1 10 HIS QB . . 5.460 3.781 3.265 4.734 . 0 0 "[ . 1 . 2]" 1
36 1 9 ASP HA 1 10 HIS QB . . 4.840 4.388 4.017 4.876 0.036 7 0 "[ . 1 . 2]" 1
37 1 9 ASP HA 1 11 TRP H . . 5.130 4.683 3.148 5.154 0.024 18 0 "[ . 1 . 2]" 1
38 1 10 HIS H 1 11 TRP HA . . 5.500 4.751 3.937 5.522 0.022 15 0 "[ . 1 . 2]" 1
39 1 10 HIS HA 1 11 TRP H . . 3.400 2.643 2.200 3.566 0.166 9 0 "[ . 1 . 2]" 1
40 1 10 HIS HA 1 12 VAL QG . . 4.930 4.106 3.184 4.607 . 0 0 "[ . 1 . 2]" 1
41 1 10 HIS QB 1 11 TRP H . . 4.730 3.732 1.933 4.047 . 0 0 "[ . 1 . 2]" 1
42 1 10 HIS QB 1 12 VAL H . . 5.410 3.961 2.482 4.852 . 0 0 "[ . 1 . 2]" 1
43 1 11 TRP H 1 11 TRP QB . . 3.440 2.631 2.285 3.228 . 0 0 "[ . 1 . 2]" 1
44 1 11 TRP H 1 12 VAL H . . 4.100 2.660 2.156 3.572 . 0 0 "[ . 1 . 2]" 1
45 1 11 TRP HA 1 11 TRP HD1 . . 3.790 3.265 2.746 4.328 0.538 16 1 "[ . 1 .+ 2]" 1
46 1 11 TRP HA 1 12 VAL H . . 2.900 2.925 2.573 2.976 0.076 2 0 "[ . 1 . 2]" 1
47 1 11 TRP HA 1 12 VAL QG . . 5.460 4.400 3.977 4.650 . 0 0 "[ . 1 . 2]" 1
48 1 11 TRP QB 1 11 TRP HD1 . . 3.300 2.893 2.687 3.133 . 0 0 "[ . 1 . 2]" 1
49 1 11 TRP QB 1 12 VAL H . . 3.900 3.817 3.738 4.035 0.135 16 0 "[ . 1 . 2]" 1
50 1 11 TRP QB 1 12 VAL HA . . 4.760 4.664 4.395 4.796 0.036 15 0 "[ . 1 . 2]" 1
51 1 11 TRP QB 1 12 VAL QG . . 4.830 3.690 2.890 4.539 . 0 0 "[ . 1 . 2]" 1
52 1 11 TRP HD1 1 12 VAL HA . . 4.610 4.547 4.203 4.620 0.010 2 0 "[ . 1 . 2]" 1
53 1 11 TRP HD1 1 12 VAL QG . . 5.500 4.246 2.125 4.721 . 0 0 "[ . 1 . 2]" 1
54 1 12 VAL H 1 12 VAL HB . . 3.340 3.284 2.910 3.418 0.078 20 0 "[ . 1 . 2]" 1
55 1 12 VAL H 1 12 VAL QG . . 3.580 2.722 2.560 3.053 . 0 0 "[ . 1 . 2]" 1
56 1 12 VAL H 1 13 LYS H . . 4.250 4.306 4.259 4.337 0.087 14 0 "[ . 1 . 2]" 1
57 1 12 VAL HA 1 12 VAL QG . . 3.090 2.092 2.022 2.155 . 0 0 "[ . 1 . 2]" 1
58 1 12 VAL HA 1 13 LYS H . . 2.800 2.315 2.158 2.412 . 0 0 "[ . 1 . 2]" 1
59 1 12 VAL HA 1 13 LYS HB3 . . 4.870 4.819 4.236 5.423 0.553 7 3 "[ .-+ 1 . *2]" 1
60 1 12 VAL HB 1 13 LYS H . . 3.880 3.919 3.848 3.985 0.105 16 0 "[ . 1 . 2]" 1
61 1 12 VAL QG 1 13 LYS H . . 4.120 2.024 1.868 2.518 . 0 0 "[ . 1 . 2]" 1
62 1 12 VAL QG 1 13 LYS HA . . 4.750 3.258 2.893 3.835 . 0 0 "[ . 1 . 2]" 1
63 1 12 VAL QG 1 14 ASP H . . 5.240 2.655 1.799 3.954 . 0 0 "[ . 1 . 2]" 1
64 1 12 VAL QG 1 14 ASP HA . . 5.500 4.436 3.046 5.422 . 0 0 "[ . 1 . 2]" 1
65 1 12 VAL QG 1 14 ASP HB2 . . 4.600 3.492 2.248 4.714 0.114 16 0 "[ . 1 . 2]" 1
66 1 12 VAL QG 1 15 GLU H . . 5.500 4.228 2.337 5.429 . 0 0 "[ . 1 . 2]" 1
67 1 13 LYS H 1 13 LYS HB2 . . 3.810 3.295 2.761 3.825 0.015 9 0 "[ . 1 . 2]" 1
68 1 13 LYS H 1 13 LYS HB3 . . 3.430 3.302 2.841 3.770 0.340 6 0 "[ . 1 . 2]" 1
69 1 13 LYS H 1 13 LYS HG2 . . 5.500 4.172 2.123 5.091 . 0 0 "[ . 1 . 2]" 1
70 1 13 LYS H 1 14 ASP H . . 3.900 2.862 1.898 3.928 0.028 2 0 "[ . 1 . 2]" 1
71 1 13 LYS HA 1 13 LYS HB3 . . 2.900 2.789 2.303 3.016 0.116 3 0 "[ . 1 . 2]" 1
72 1 13 LYS HA 1 13 LYS HG2 . . 3.830 3.096 2.091 3.832 0.002 10 0 "[ . 1 . 2]" 1
73 1 13 LYS HA 1 14 ASP H . . 2.900 2.579 2.143 3.020 0.120 15 0 "[ . 1 . 2]" 1
74 1 13 LYS HB2 1 14 ASP H . . 4.050 4.419 4.014 4.644 0.594 19 5 "[- .** 1 . * +2]" 1
75 1 13 LYS HG2 1 14 ASP H . . 5.100 4.751 3.806 5.507 0.407 10 0 "[ . 1 . 2]" 1
76 1 14 ASP H 1 14 ASP HB2 . . 3.740 2.950 2.346 3.663 . 0 0 "[ . 1 . 2]" 1
77 1 14 ASP H 1 14 ASP HB3 . . 3.540 3.427 2.724 3.906 0.366 16 0 "[ . 1 . 2]" 1
78 1 14 ASP H 1 15 GLU H . . 3.580 2.495 1.883 3.627 0.047 11 0 "[ . 1 . 2]" 1
79 1 14 ASP HA 1 15 GLU H . . 3.000 2.817 2.160 3.059 0.059 6 0 "[ . 1 . 2]" 1
80 1 14 ASP HA 1 16 GLY H . . 5.180 3.790 3.058 5.196 0.016 6 0 "[ . 1 . 2]" 1
81 1 14 ASP HB2 1 15 GLU H . . 4.490 4.306 3.983 4.582 0.092 18 0 "[ . 1 . 2]" 1
82 1 14 ASP HB2 1 16 GLY H . . 5.500 5.259 3.594 5.917 0.417 19 0 "[ . 1 . 2]" 1
83 1 14 ASP HB3 1 15 GLU H . . 4.160 4.195 4.009 4.542 0.382 16 0 "[ . 1 . 2]" 1
84 1 15 GLU H 1 15 GLU QB . . 3.490 2.671 2.256 3.056 . 0 0 "[ . 1 . 2]" 1
85 1 15 GLU H 1 15 GLU QG . . 4.180 2.821 1.916 4.238 0.058 2 0 "[ . 1 . 2]" 1
86 1 15 GLU HA 1 15 GLU QG . . 3.660 3.052 2.239 3.410 . 0 0 "[ . 1 . 2]" 1
87 1 15 GLU HA 1 16 GLY H . . 3.370 3.209 2.191 3.556 0.186 7 0 "[ . 1 . 2]" 1
88 1 15 GLU QB 1 16 GLY H . . 4.590 3.359 1.898 3.965 . 0 0 "[ . 1 . 2]" 1
89 1 15 GLU QB 1 16 GLY QA . . 4.400 4.064 3.306 4.296 . 0 0 "[ . 1 . 2]" 1
90 1 15 GLU QB 1 17 GLY H . . 5.490 4.863 4.007 5.256 . 0 0 "[ . 1 . 2]" 1
91 1 15 GLU QG 1 16 GLY H . . 5.500 3.205 1.939 4.451 . 0 0 "[ . 1 . 2]" 1
92 1 15 GLU QG 1 16 GLY QA . . 4.220 3.788 2.768 4.414 0.194 7 0 "[ . 1 . 2]" 1
93 1 16 GLY H 1 17 GLY H . . 3.800 3.476 2.275 3.859 0.059 15 0 "[ . 1 . 2]" 1
94 1 16 GLY QA 1 17 GLY H . . 3.230 2.285 2.145 2.556 . 0 0 "[ . 1 . 2]" 1
95 1 16 GLY QA 1 42 LEU QD . . 4.770 4.217 3.606 4.719 . 0 0 "[ . 1 . 2]" 1
96 1 17 GLY H 1 18 ASP H . . 4.070 2.541 1.896 3.323 . 0 0 "[ . 1 . 2]" 1
97 1 17 GLY H 1 18 ASP HA . . 4.100 4.166 4.109 4.282 0.182 12 0 "[ . 1 . 2]" 1
98 1 17 GLY H 1 18 ASP QB . . 5.110 4.802 3.951 5.130 0.020 16 0 "[ . 1 . 2]" 1
99 1 17 GLY H 1 42 LEU QD . . 4.920 3.319 2.582 4.006 . 0 0 "[ . 1 . 2]" 1
100 1 17 GLY QA 1 18 ASP H . . 3.050 2.544 2.178 2.809 . 0 0 "[ . 1 . 2]" 1
101 1 17 GLY QA 1 18 ASP HA . . 4.460 4.174 4.051 4.496 0.036 5 0 "[ . 1 . 2]" 1
102 1 17 GLY QA 1 18 ASP QB . . 4.570 4.048 3.501 4.442 . 0 0 "[ . 1 . 2]" 1
103 1 17 GLY QA 1 19 SER H . . 4.510 3.966 3.279 4.551 0.041 6 0 "[ . 1 . 2]" 1
104 1 17 GLY QA 1 42 LEU QD . . 4.080 3.662 3.162 4.088 0.008 4 0 "[ . 1 . 2]" 1
105 1 18 ASP H 1 18 ASP QB . . 3.320 2.947 2.391 3.450 0.130 15 0 "[ . 1 . 2]" 1
106 1 18 ASP H 1 19 SER H . . 3.270 2.620 2.081 3.460 0.190 20 0 "[ . 1 . 2]" 1
107 1 18 ASP H 1 19 SER QB . . 5.500 4.326 3.643 5.225 . 0 0 "[ . 1 . 2]" 1
108 1 18 ASP H 1 27 PHE QD . . 5.370 4.624 4.405 4.974 . 0 0 "[ . 1 . 2]" 1
109 1 18 ASP H 1 42 LEU QD . . 4.890 3.517 2.477 4.415 . 0 0 "[ . 1 . 2]" 1
110 1 18 ASP HA 1 19 SER H . . 3.360 2.742 2.582 2.870 . 0 0 "[ . 1 . 2]" 1
111 1 18 ASP HA 1 27 PHE H . . 5.500 4.798 4.575 4.928 . 0 0 "[ . 1 . 2]" 1
112 1 18 ASP HA 1 27 PHE HB2 . . 5.010 4.115 3.967 4.211 . 0 0 "[ . 1 . 2]" 1
113 1 18 ASP HA 1 27 PHE HB3 . . 5.500 5.520 5.416 5.623 0.123 12 0 "[ . 1 . 2]" 1
114 1 18 ASP HA 1 27 PHE QD . . 3.320 2.384 2.261 2.537 . 0 0 "[ . 1 . 2]" 1
115 1 18 ASP HA 1 27 PHE QE . . 4.150 3.255 2.990 3.534 . 0 0 "[ . 1 . 2]" 1
116 1 18 ASP HA 1 33 ARG QB . . 4.790 4.201 3.693 4.421 . 0 0 "[ . 1 . 2]" 1
117 1 18 ASP HA 1 33 ARG HD3 . . 4.020 3.611 3.070 4.138 0.118 12 0 "[ . 1 . 2]" 1
118 1 18 ASP HA 1 42 LEU QD . . 3.980 2.400 2.037 2.774 . 0 0 "[ . 1 . 2]" 1
119 1 18 ASP QB 1 19 SER H . . 3.850 3.883 3.815 3.982 0.132 6 0 "[ . 1 . 2]" 1
120 1 18 ASP QB 1 26 ARG HA . . 5.180 4.681 4.501 4.825 . 0 0 "[ . 1 . 2]" 1
121 1 18 ASP QB 1 26 ARG QD . . 4.910 4.760 4.444 4.973 0.063 6 0 "[ . 1 . 2]" 1
122 1 18 ASP QB 1 27 PHE H . . 5.400 4.009 3.719 4.252 . 0 0 "[ . 1 . 2]" 1
123 1 18 ASP QB 1 27 PHE QD . . 3.440 3.073 2.544 3.477 0.037 14 0 "[ . 1 . 2]" 1
124 1 18 ASP QB 1 27 PHE QE . . 4.780 4.753 4.442 4.832 0.052 9 0 "[ . 1 . 2]" 1
125 1 18 ASP QB 1 42 LEU QD . . 4.640 3.960 3.426 4.280 . 0 0 "[ . 1 . 2]" 1
126 1 19 SER H 1 19 SER QB . . 3.750 3.011 2.772 3.258 . 0 0 "[ . 1 . 2]" 1
127 1 19 SER H 1 20 CYS H . . 4.410 4.289 4.192 4.407 . 0 0 "[ . 1 . 2]" 1
128 1 19 SER H 1 26 ARG HA . . 5.090 5.017 4.724 5.158 0.068 1 0 "[ . 1 . 2]" 1
129 1 19 SER H 1 26 ARG QD . . 5.500 5.072 4.784 5.249 . 0 0 "[ . 1 . 2]" 1
130 1 19 SER H 1 27 PHE QE . . 4.560 2.714 2.239 3.156 . 0 0 "[ . 1 . 2]" 1
131 1 19 SER H 1 27 PHE HZ . . 5.500 4.699 4.393 5.036 . 0 0 "[ . 1 . 2]" 1
132 1 19 SER H 1 42 LEU QD . . 4.950 2.757 2.148 3.396 . 0 0 "[ . 1 . 2]" 1
133 1 19 SER HA 1 20 CYS H . . 2.990 2.210 2.185 2.316 . 0 0 "[ . 1 . 2]" 1
134 1 19 SER HA 1 20 CYS HA . . 4.680 4.318 4.307 4.325 . 0 0 "[ . 1 . 2]" 1
135 1 19 SER HA 1 20 CYS HB2 . . 4.740 4.494 4.467 4.523 . 0 0 "[ . 1 . 2]" 1
136 1 19 SER HA 1 25 VAL H . . 5.500 5.142 4.945 5.301 . 0 0 "[ . 1 . 2]" 1
137 1 19 SER HA 1 25 VAL QG . . 5.080 4.076 3.866 4.168 . 0 0 "[ . 1 . 2]" 1
138 1 19 SER HA 1 26 ARG H . . 5.170 4.725 4.492 4.860 . 0 0 "[ . 1 . 2]" 1
139 1 19 SER HA 1 26 ARG HA . . 2.680 2.517 2.303 2.648 . 0 0 "[ . 1 . 2]" 1
140 1 19 SER HA 1 26 ARG QD . . 4.780 3.481 3.403 3.563 . 0 0 "[ . 1 . 2]" 1
141 1 19 SER HA 1 27 PHE H . . 3.330 2.411 2.172 2.585 . 0 0 "[ . 1 . 2]" 1
142 1 19 SER HA 1 27 PHE HB2 . . 4.660 4.333 4.217 4.488 . 0 0 "[ . 1 . 2]" 1
143 1 19 SER HA 1 27 PHE HB3 . . 5.500 5.385 5.216 5.527 0.027 1 0 "[ . 1 . 2]" 1
144 1 19 SER HA 1 27 PHE QD . . 3.820 3.270 3.020 3.493 . 0 0 "[ . 1 . 2]" 1
145 1 19 SER HA 1 27 PHE QE . . 4.250 3.432 3.218 3.683 . 0 0 "[ . 1 . 2]" 1
146 1 19 SER HA 1 27 PHE HZ . . 5.360 4.384 4.218 4.526 . 0 0 "[ . 1 . 2]" 1
147 1 19 SER QB 1 20 CYS H . . 3.510 2.954 2.683 3.012 . 0 0 "[ . 1 . 2]" 1
148 1 19 SER QB 1 20 CYS HA . . 5.500 4.633 4.470 4.674 . 0 0 "[ . 1 . 2]" 1
149 1 19 SER QB 1 20 CYS HB2 . . 5.500 5.002 4.894 5.062 . 0 0 "[ . 1 . 2]" 1
150 1 19 SER QB 1 24 SER HA . . 3.290 3.043 2.580 3.193 . 0 0 "[ . 1 . 2]" 1
151 1 19 SER QB 1 24 SER HB3 . . 4.780 4.355 4.052 4.825 0.045 12 0 "[ . 1 . 2]" 1
152 1 19 SER QB 1 25 VAL H . . 5.500 4.437 4.251 4.585 . 0 0 "[ . 1 . 2]" 1
153 1 19 SER QB 1 25 VAL HA . . 5.450 4.617 4.259 4.805 . 0 0 "[ . 1 . 2]" 1
154 1 19 SER QB 1 26 ARG HA . . 3.900 2.780 2.120 3.393 . 0 0 "[ . 1 . 2]" 1
155 1 19 SER QB 1 26 ARG QD . . 4.260 2.304 1.871 2.794 . 0 0 "[ . 1 . 2]" 1
156 1 19 SER QB 1 26 ARG QG . . 5.320 4.133 3.640 4.603 . 0 0 "[ . 1 . 2]" 1
157 1 19 SER QB 1 27 PHE H . . 4.950 3.997 3.581 4.397 . 0 0 "[ . 1 . 2]" 1
158 1 20 CYS H 1 20 CYS HB2 . . 3.350 2.410 2.370 2.552 . 0 0 "[ . 1 . 2]" 1
159 1 20 CYS H 1 20 CYS HB3 . . 3.290 2.659 2.524 2.703 . 0 0 "[ . 1 . 2]" 1
160 1 20 CYS H 1 21 SER H . . 4.850 4.644 4.629 4.647 . 0 0 "[ . 1 . 2]" 1
161 1 20 CYS H 1 23 CYS H . . 5.220 5.169 4.968 5.253 0.033 13 0 "[ . 1 . 2]" 1
162 1 20 CYS H 1 24 SER H . . 4.510 4.033 3.570 4.180 . 0 0 "[ . 1 . 2]" 1
163 1 20 CYS H 1 24 SER HA . . 4.380 3.766 3.143 3.971 . 0 0 "[ . 1 . 2]" 1
164 1 20 CYS H 1 25 VAL H . . 3.940 3.391 3.093 3.631 . 0 0 "[ . 1 . 2]" 1
165 1 20 CYS H 1 25 VAL QG . . 3.550 2.694 2.488 2.795 . 0 0 "[ . 1 . 2]" 1
166 1 20 CYS H 1 26 ARG HA . . 4.090 3.845 3.735 3.988 . 0 0 "[ . 1 . 2]" 1
167 1 20 CYS H 1 27 PHE QE . . 5.040 3.454 3.352 3.627 . 0 0 "[ . 1 . 2]" 1
168 1 20 CYS H 1 43 PHE HA . . 5.210 5.089 5.002 5.175 . 0 0 "[ . 1 . 2]" 1
169 1 20 CYS H 1 44 CYS HB3 . . 4.590 4.577 4.376 4.689 0.099 18 0 "[ . 1 . 2]" 1
170 1 20 CYS HA 1 21 SER H . . 2.930 2.312 2.285 2.322 . 0 0 "[ . 1 . 2]" 1
171 1 20 CYS HA 1 21 SER HA . . 4.600 4.357 4.345 4.363 . 0 0 "[ . 1 . 2]" 1
172 1 20 CYS HA 1 22 GLY H . . 4.530 4.081 4.050 4.124 . 0 0 "[ . 1 . 2]" 1
173 1 20 CYS HA 1 24 SER H . . 5.080 4.203 4.028 4.301 . 0 0 "[ . 1 . 2]" 1
174 1 20 CYS HA 1 25 VAL H . . 5.270 4.881 4.744 5.055 . 0 0 "[ . 1 . 2]" 1
175 1 20 CYS HA 1 25 VAL QG . . 4.590 3.986 3.875 4.104 . 0 0 "[ . 1 . 2]" 1
176 1 20 CYS HA 1 27 PHE QE . . 3.500 3.142 3.058 3.221 . 0 0 "[ . 1 . 2]" 1
177 1 20 CYS HA 1 27 PHE HZ . . 3.030 1.984 1.915 2.124 . 0 0 "[ . 1 . 2]" 1
178 1 20 CYS HA 1 42 LEU HB3 . . 4.760 3.269 3.003 3.510 . 0 0 "[ . 1 . 2]" 1
179 1 20 CYS HA 1 43 PHE H . . 5.500 4.364 4.251 4.446 . 0 0 "[ . 1 . 2]" 1
180 1 20 CYS HA 1 43 PHE HA . . 3.260 2.558 2.473 2.656 . 0 0 "[ . 1 . 2]" 1
181 1 20 CYS HA 1 43 PHE HB2 . . 5.420 5.484 5.435 5.534 0.114 9 0 "[ . 1 . 2]" 1
182 1 20 CYS HA 1 44 CYS H . . 4.620 3.950 3.823 4.041 . 0 0 "[ . 1 . 2]" 1
183 1 20 CYS HB2 1 21 SER H . . 4.410 3.964 3.932 3.983 . 0 0 "[ . 1 . 2]" 1
184 1 20 CYS HB2 1 22 GLY H . . 4.910 4.711 4.667 4.735 . 0 0 "[ . 1 . 2]" 1
185 1 20 CYS HB2 1 23 CYS H . . 4.220 4.146 4.048 4.253 0.033 1 0 "[ . 1 . 2]" 1
186 1 20 CYS HB2 1 23 CYS HB2 . . 4.330 3.151 3.042 3.235 . 0 0 "[ . 1 . 2]" 1
187 1 20 CYS HB2 1 24 SER H . . 4.100 3.764 3.615 3.884 . 0 0 "[ . 1 . 2]" 1
188 1 20 CYS HB2 1 24 SER HA . . 4.900 4.798 4.606 4.944 0.044 7 0 "[ . 1 . 2]" 1
189 1 20 CYS HB2 1 25 VAL H . . 3.880 3.236 3.116 3.456 . 0 0 "[ . 1 . 2]" 1
190 1 20 CYS HB2 1 25 VAL HB . . 5.000 4.771 4.523 4.943 . 0 0 "[ . 1 . 2]" 1
191 1 20 CYS HB2 1 25 VAL QG . . 3.390 1.961 1.906 2.106 . 0 0 "[ . 1 . 2]" 1
192 1 20 CYS HB2 1 27 PHE QE . . 3.680 2.730 2.351 3.031 . 0 0 "[ . 1 . 2]" 1
193 1 20 CYS HB2 1 27 PHE HZ . . 4.060 3.298 3.065 3.622 . 0 0 "[ . 1 . 2]" 1
194 1 20 CYS HB2 1 43 PHE HA . . 4.760 3.674 3.561 3.739 . 0 0 "[ . 1 . 2]" 1
195 1 20 CYS HB2 1 44 CYS H . . 3.890 3.382 3.154 3.475 . 0 0 "[ . 1 . 2]" 1
196 1 20 CYS HB2 1 44 CYS HA . . 4.430 4.315 4.192 4.422 . 0 0 "[ . 1 . 2]" 1
197 1 20 CYS HB2 1 44 CYS HB2 . . 4.380 4.352 4.185 4.447 0.067 9 0 "[ . 1 . 2]" 1
198 1 20 CYS HB2 1 44 CYS HB3 . . 4.250 2.599 2.440 2.698 . 0 0 "[ . 1 . 2]" 1
199 1 20 CYS HB3 1 21 SER H . . 5.320 3.704 3.669 3.812 . 0 0 "[ . 1 . 2]" 1
200 1 20 CYS HB3 1 22 GLY H . . 5.130 3.998 3.914 4.070 . 0 0 "[ . 1 . 2]" 1
201 1 20 CYS HB3 1 23 CYS H . . 4.030 2.749 2.632 2.848 . 0 0 "[ . 1 . 2]" 1
202 1 20 CYS HB3 1 24 SER H . . 3.840 2.035 1.902 2.148 . 0 0 "[ . 1 . 2]" 1
203 1 20 CYS HB3 1 24 SER HA . . 4.900 3.331 3.184 3.485 . 0 0 "[ . 1 . 2]" 1
204 1 20 CYS HB3 1 25 VAL H . . 3.470 2.038 1.953 2.166 . 0 0 "[ . 1 . 2]" 1
205 1 20 CYS HB3 1 25 VAL HB . . 4.950 4.362 4.206 4.413 . 0 0 "[ . 1 . 2]" 1
206 1 20 CYS HB3 1 25 VAL QG . . 3.420 2.222 2.107 2.274 . 0 0 "[ . 1 . 2]" 1
207 1 20 CYS HB3 1 27 PHE QE . . 4.520 4.363 4.034 4.602 0.082 19 0 "[ . 1 . 2]" 1
208 1 20 CYS HB3 1 27 PHE HZ . . 4.620 4.533 4.351 4.765 0.145 11 0 "[ . 1 . 2]" 1
209 1 20 CYS HB3 1 43 PHE HA . . 4.400 4.465 4.413 4.527 0.127 13 0 "[ . 1 . 2]" 1
210 1 20 CYS HB3 1 44 CYS H . . 4.420 4.511 4.354 4.573 0.153 14 0 "[ . 1 . 2]" 1
211 1 20 CYS HB3 1 44 CYS HB3 . . 4.560 4.106 3.958 4.212 . 0 0 "[ . 1 . 2]" 1
212 1 21 SER H 1 21 SER HB2 . . 3.720 2.449 2.246 3.342 . 0 0 "[ . 1 . 2]" 1
213 1 21 SER H 1 21 SER HB3 . . 3.500 3.061 2.183 3.699 0.199 17 0 "[ . 1 . 2]" 1
214 1 21 SER H 1 22 GLY H . . 3.560 2.149 2.111 2.244 . 0 0 "[ . 1 . 2]" 1
215 1 21 SER H 1 24 SER H . . 5.450 3.908 3.872 3.951 . 0 0 "[ . 1 . 2]" 1
216 1 21 SER H 1 27 PHE QE . . 4.920 4.863 4.775 4.931 0.011 19 0 "[ . 1 . 2]" 1
217 1 21 SER H 1 27 PHE HZ . . 4.280 3.965 3.871 4.076 . 0 0 "[ . 1 . 2]" 1
218 1 21 SER H 1 41 GLN HB2 . . 5.500 5.550 5.310 5.611 0.111 2 0 "[ . 1 . 2]" 1
219 1 21 SER H 1 42 LEU HB2 . . 5.190 5.090 4.728 5.204 0.014 14 0 "[ . 1 . 2]" 1
220 1 21 SER H 1 42 LEU HB3 . . 5.270 4.529 4.206 4.745 . 0 0 "[ . 1 . 2]" 1
221 1 21 SER H 1 43 PHE HA . . 3.730 2.568 2.403 2.698 . 0 0 "[ . 1 . 2]" 1
222 1 21 SER H 1 43 PHE HB3 . . 5.500 4.461 4.319 4.614 . 0 0 "[ . 1 . 2]" 1
223 1 21 SER H 1 43 PHE QD . . 4.920 2.777 2.548 2.929 . 0 0 "[ . 1 . 2]" 1
224 1 21 SER H 1 43 PHE QE . . 5.320 3.736 3.566 3.895 . 0 0 "[ . 1 . 2]" 1
225 1 21 SER H 1 44 CYS H . . 4.910 4.383 4.264 4.470 . 0 0 "[ . 1 . 2]" 1
226 1 21 SER HA 1 21 SER HB2 . . 3.030 2.748 2.252 3.013 . 0 0 "[ . 1 . 2]" 1
227 1 21 SER HA 1 42 LEU H . . 5.500 5.320 5.167 5.506 0.006 19 0 "[ . 1 . 2]" 1
228 1 21 SER HA 1 43 PHE QD . . 5.160 5.059 4.869 5.239 0.079 17 0 "[ . 1 . 2]" 1
229 1 21 SER HA 1 43 PHE QE . . 4.870 4.707 4.477 4.864 . 0 0 "[ . 1 . 2]" 1
230 1 21 SER HB2 1 22 GLY H . . 4.650 3.526 2.916 4.254 . 0 0 "[ . 1 . 2]" 1
231 1 21 SER HB2 1 41 GLN HB2 . . 5.300 3.731 3.578 3.990 . 0 0 "[ . 1 . 2]" 1
232 1 21 SER HB2 1 41 GLN HB3 . . 4.620 2.651 2.345 2.988 . 0 0 "[ . 1 . 2]" 1
233 1 21 SER HB2 1 41 GLN HG2 . . 5.500 5.356 4.757 5.514 0.014 17 0 "[ . 1 . 2]" 1
234 1 21 SER HB2 1 42 LEU H . . 4.790 3.427 3.106 4.756 . 0 0 "[ . 1 . 2]" 1
235 1 21 SER HB2 1 43 PHE HZ . . 4.300 4.023 3.259 4.359 0.059 12 0 "[ . 1 . 2]" 1
236 1 21 SER HB3 1 22 GLY H . . 4.510 3.158 2.943 4.084 . 0 0 "[ . 1 . 2]" 1
237 1 21 SER HB3 1 41 GLN HB2 . . 4.850 4.036 3.355 4.344 . 0 0 "[ . 1 . 2]" 1
238 1 21 SER HB3 1 41 GLN HB3 . . 4.480 3.207 2.569 3.482 . 0 0 "[ . 1 . 2]" 1
239 1 21 SER HB3 1 41 GLN HG3 . . 5.420 5.110 4.878 5.363 . 0 0 "[ . 1 . 2]" 1
240 1 21 SER HB3 1 42 LEU H . . 4.880 4.747 3.802 4.902 0.022 20 0 "[ . 1 . 2]" 1
241 1 21 SER HB3 1 43 PHE QE . . 3.480 2.360 2.025 3.806 0.326 17 0 "[ . 1 . 2]" 1
242 1 21 SER HB3 1 43 PHE HZ . . 4.230 3.455 3.266 4.394 0.164 17 0 "[ . 1 . 2]" 1
243 1 22 GLY H 1 23 CYS H . . 3.270 2.326 2.266 2.416 . 0 0 "[ . 1 . 2]" 1
244 1 22 GLY H 1 23 CYS HA . . 5.460 4.967 4.932 4.998 . 0 0 "[ . 1 . 2]" 1
245 1 22 GLY H 1 24 SER H . . 4.240 3.616 3.558 3.678 . 0 0 "[ . 1 . 2]" 1
246 1 22 GLY H 1 43 PHE HA . . 4.640 3.699 3.608 3.753 . 0 0 "[ . 1 . 2]" 1
247 1 22 GLY H 1 43 PHE HB3 . . 5.460 4.573 4.449 4.717 . 0 0 "[ . 1 . 2]" 1
248 1 22 GLY H 1 43 PHE QD . . 3.730 2.275 2.151 2.416 . 0 0 "[ . 1 . 2]" 1
249 1 22 GLY H 1 43 PHE QE . . 4.180 2.936 2.800 3.040 . 0 0 "[ . 1 . 2]" 1
250 1 22 GLY H 1 44 CYS H . . 5.120 4.680 4.558 4.747 . 0 0 "[ . 1 . 2]" 1
251 1 22 GLY H 1 47 CYS HB2 . . 5.030 5.011 4.923 5.057 0.027 7 0 "[ . 1 . 2]" 1
252 1 22 GLY HA2 1 23 CYS H . . 3.890 3.297 3.208 3.331 . 0 0 "[ . 1 . 2]" 1
253 1 22 GLY HA2 1 24 SER H . . 5.250 4.711 4.577 4.807 . 0 0 "[ . 1 . 2]" 1
254 1 22 GLY HA2 1 43 PHE QD . . 4.600 4.557 4.471 4.642 0.042 18 0 "[ . 1 . 2]" 1
255 1 22 GLY HA2 1 43 PHE QE . . 3.740 3.825 3.752 3.881 0.141 18 0 "[ . 1 . 2]" 1
256 1 22 GLY HA3 1 23 CYS H . . 3.610 3.255 3.220 3.340 . 0 0 "[ . 1 . 2]" 1
257 1 22 GLY HA3 1 43 PHE HB3 . . 5.500 5.486 5.368 5.646 0.146 12 0 "[ . 1 . 2]" 1
258 1 22 GLY HA3 1 43 PHE QD . . 3.710 3.359 3.266 3.460 . 0 0 "[ . 1 . 2]" 1
259 1 22 GLY HA3 1 43 PHE QE . . 3.360 3.305 3.206 3.365 0.005 9 0 "[ . 1 . 2]" 1
260 1 22 GLY HA3 1 47 CYS HB2 . . 5.350 5.384 5.186 5.472 0.122 7 0 "[ . 1 . 2]" 1
261 1 23 CYS H 1 23 CYS HB3 . . 3.980 3.820 3.784 3.889 . 0 0 "[ . 1 . 2]" 1
262 1 23 CYS H 1 24 SER H . . 3.070 1.730 1.697 1.750 . 0 0 "[ . 1 . 2]" 1
263 1 23 CYS H 1 24 SER HA . . 4.060 3.936 3.866 3.986 . 0 0 "[ . 1 . 2]" 1
264 1 23 CYS H 1 25 VAL QG . . 5.370 4.058 3.884 4.219 . 0 0 "[ . 1 . 2]" 1
265 1 23 CYS H 1 43 PHE QD . . 5.140 4.343 4.143 4.510 . 0 0 "[ . 1 . 2]" 1
266 1 23 CYS H 1 43 PHE QE . . 5.340 5.136 4.982 5.259 . 0 0 "[ . 1 . 2]" 1
267 1 23 CYS H 1 44 CYS H . . 5.390 5.356 5.301 5.483 0.093 18 0 "[ . 1 . 2]" 1
268 1 23 CYS HA 1 23 CYS HB2 . . 3.140 3.024 3.022 3.027 . 0 0 "[ . 1 . 2]" 1
269 1 23 CYS HA 1 24 SER HB2 . . 5.010 4.730 4.441 4.856 . 0 0 "[ . 1 . 2]" 1
270 1 23 CYS HA 1 25 VAL H . . 5.470 4.172 4.116 4.227 . 0 0 "[ . 1 . 2]" 1
271 1 23 CYS HA 1 25 VAL QG . . 4.300 4.289 4.254 4.321 0.021 2 0 "[ . 1 . 2]" 1
272 1 23 CYS HB2 1 24 SER H . . 5.140 2.943 2.826 3.062 . 0 0 "[ . 1 . 2]" 1
273 1 23 CYS HB2 1 25 VAL H . . 4.700 2.601 2.557 2.642 . 0 0 "[ . 1 . 2]" 1
274 1 23 CYS HB2 1 25 VAL HA . . 5.330 5.103 5.032 5.156 . 0 0 "[ . 1 . 2]" 1
275 1 23 CYS HB2 1 25 VAL QG . . 4.860 1.982 1.935 2.029 . 0 0 "[ . 1 . 2]" 1
276 1 23 CYS HB3 1 24 SER H . . 5.160 3.861 3.805 3.932 . 0 0 "[ . 1 . 2]" 1
277 1 23 CYS HB3 1 25 VAL HB . . 5.390 3.117 3.049 3.176 . 0 0 "[ . 1 . 2]" 1
278 1 24 SER H 1 24 SER HB2 . . 3.830 3.735 3.176 3.896 0.066 6 0 "[ . 1 . 2]" 1
279 1 24 SER H 1 25 VAL H . . 3.600 2.557 2.533 2.585 . 0 0 "[ . 1 . 2]" 1
280 1 24 SER H 1 25 VAL QG . . 4.890 3.590 3.553 3.655 . 0 0 "[ . 1 . 2]" 1
281 1 24 SER HA 1 24 SER HB3 . . 2.800 2.442 2.286 3.018 0.218 12 0 "[ . 1 . 2]" 1
282 1 24 SER HB2 1 26 ARG QD . . 4.930 5.126 4.940 5.869 0.939 1 4 "[+ . 1 - .* * 2]" 1
283 1 25 VAL H 1 25 VAL HB . . 3.060 2.773 2.735 2.805 . 0 0 "[ . 1 . 2]" 1
284 1 25 VAL H 1 25 VAL QG . . 3.220 2.014 1.894 2.062 . 0 0 "[ . 1 . 2]" 1
285 1 25 VAL H 1 26 ARG H . . 4.580 4.481 4.366 4.586 0.006 2 0 "[ . 1 . 2]" 1
286 1 25 VAL H 1 44 CYS HB3 . . 5.500 5.051 4.896 5.159 . 0 0 "[ . 1 . 2]" 1
287 1 25 VAL HA 1 25 VAL HB . . 2.440 2.377 2.365 2.396 . 0 0 "[ . 1 . 2]" 1
288 1 25 VAL HA 1 25 VAL QG . . 2.730 2.347 2.291 2.385 . 0 0 "[ . 1 . 2]" 1
289 1 25 VAL HA 1 26 ARG H . . 2.580 2.148 2.140 2.190 . 0 0 "[ . 1 . 2]" 1
290 1 25 VAL HA 1 26 ARG QD . . 4.500 3.856 3.455 4.053 . 0 0 "[ . 1 . 2]" 1
291 1 25 VAL HA 1 26 ARG QG . . 3.560 3.624 3.494 3.694 0.134 18 0 "[ . 1 . 2]" 1
292 1 25 VAL HA 1 31 GLU QG . . 5.410 5.361 5.256 5.660 0.250 8 0 "[ . 1 . 2]" 1
293 1 25 VAL MG1 1 25 VAL MG2 . . 3.110 2.026 1.898 2.073 . 0 0 "[ . 1 . 2]" 1
294 1 25 VAL QG 1 26 ARG H . . 3.260 2.658 2.104 2.998 . 0 0 "[ . 1 . 2]" 1
295 1 25 VAL QG 1 26 ARG HA . . 4.790 3.839 3.681 3.974 . 0 0 "[ . 1 . 2]" 1
296 1 25 VAL QG 1 26 ARG QD . . 5.500 4.318 4.024 4.474 . 0 0 "[ . 1 . 2]" 1
297 1 25 VAL QG 1 26 ARG QG . . 4.900 3.976 3.617 4.174 . 0 0 "[ . 1 . 2]" 1
298 1 25 VAL QG 1 27 PHE H . . 5.410 3.893 3.765 4.004 . 0 0 "[ . 1 . 2]" 1
299 1 25 VAL QG 1 27 PHE HA . . 5.420 3.419 3.338 3.583 . 0 0 "[ . 1 . 2]" 1
300 1 25 VAL QG 1 27 PHE QD . . 4.830 3.498 3.243 3.853 . 0 0 "[ . 1 . 2]" 1
301 1 25 VAL QG 1 27 PHE QE . . 5.040 3.372 3.036 3.827 . 0 0 "[ . 1 . 2]" 1
302 1 25 VAL QG 1 28 SER QB . . 5.310 4.951 4.688 5.069 . 0 0 "[ . 1 . 2]" 1
303 1 25 VAL QG 1 31 GLU HB2 . . 4.420 3.163 2.734 3.312 . 0 0 "[ . 1 . 2]" 1
304 1 25 VAL QG 1 31 GLU HB3 . . 5.500 3.345 3.105 3.508 . 0 0 "[ . 1 . 2]" 1
305 1 25 VAL QG 1 31 GLU QG . . 4.060 2.010 1.875 2.086 . 0 0 "[ . 1 . 2]" 1
306 1 25 VAL QG 1 43 PHE HA . . 5.500 4.946 4.837 5.037 . 0 0 "[ . 1 . 2]" 1
307 1 25 VAL QG 1 44 CYS H . . 5.080 4.138 4.018 4.242 . 0 0 "[ . 1 . 2]" 1
308 1 25 VAL QG 1 44 CYS HA . . 4.400 4.325 4.198 4.419 0.019 11 0 "[ . 1 . 2]" 1
309 1 25 VAL QG 1 44 CYS HB2 . . 3.770 3.231 3.111 3.332 . 0 0 "[ . 1 . 2]" 1
310 1 25 VAL QG 1 44 CYS HB3 . . 3.470 2.468 2.375 2.565 . 0 0 "[ . 1 . 2]" 1
311 1 25 VAL QG 1 45 GLN H . . 5.500 5.138 5.022 5.226 . 0 0 "[ . 1 . 2]" 1
312 1 26 ARG H 1 26 ARG QB . . 3.120 2.648 2.622 2.683 . 0 0 "[ . 1 . 2]" 1
313 1 26 ARG H 1 26 ARG QD . . 4.770 2.716 2.554 2.797 . 0 0 "[ . 1 . 2]" 1
314 1 26 ARG H 1 26 ARG QG . . 3.960 1.912 1.885 1.943 . 0 0 "[ . 1 . 2]" 1
315 1 26 ARG H 1 27 PHE H . . 4.410 4.409 4.375 4.445 0.035 19 0 "[ . 1 . 2]" 1
316 1 26 ARG HA 1 26 ARG QD . . 3.610 2.056 1.999 2.211 . 0 0 "[ . 1 . 2]" 1
317 1 26 ARG HA 1 27 PHE H . . 2.840 2.147 2.141 2.154 . 0 0 "[ . 1 . 2]" 1
318 1 26 ARG HA 1 27 PHE HA . . 4.680 4.410 4.396 4.424 . 0 0 "[ . 1 . 2]" 1
319 1 26 ARG HA 1 27 PHE QD . . 4.560 4.512 4.391 4.631 0.071 20 0 "[ . 1 . 2]" 1
320 1 26 ARG QB 1 26 ARG QD . . 3.070 2.369 2.326 2.392 . 0 0 "[ . 1 . 2]" 1
321 1 26 ARG QB 1 27 PHE H . . 3.690 3.450 3.395 3.500 . 0 0 "[ . 1 . 2]" 1
322 1 26 ARG QD 1 27 PHE H . . 4.420 3.909 3.867 4.075 . 0 0 "[ . 1 . 2]" 1
323 1 27 PHE H 1 27 PHE HB2 . . 3.340 2.609 2.572 2.639 . 0 0 "[ . 1 . 2]" 1
324 1 27 PHE H 1 27 PHE HB3 . . 3.580 3.589 3.586 3.591 0.011 19 0 "[ . 1 . 2]" 1
325 1 27 PHE H 1 27 PHE QD . . 3.660 2.950 2.827 3.074 . 0 0 "[ . 1 . 2]" 1
326 1 27 PHE H 1 27 PHE QE . . 5.060 4.263 4.193 4.336 . 0 0 "[ . 1 . 2]" 1
327 1 27 PHE H 1 28 SER H . . 4.610 4.616 4.577 4.641 0.031 16 0 "[ . 1 . 2]" 1
328 1 27 PHE H 1 31 GLU QG . . 5.500 4.579 4.197 5.224 . 0 0 "[ . 1 . 2]" 1
329 1 27 PHE HA 1 27 PHE QD . . 2.710 2.318 2.157 2.433 . 0 0 "[ . 1 . 2]" 1
330 1 27 PHE HA 1 28 SER H . . 2.920 2.224 2.168 2.284 . 0 0 "[ . 1 . 2]" 1
331 1 27 PHE HA 1 28 SER QB . . 4.980 4.334 4.205 4.561 . 0 0 "[ . 1 . 2]" 1
332 1 27 PHE HA 1 31 GLU H . . 4.900 4.343 4.232 4.437 . 0 0 "[ . 1 . 2]" 1
333 1 27 PHE HA 1 31 GLU HB3 . . 3.880 2.073 1.986 2.307 . 0 0 "[ . 1 . 2]" 1
334 1 27 PHE HA 1 31 GLU QG . . 3.950 2.751 2.496 3.278 . 0 0 "[ . 1 . 2]" 1
335 1 27 PHE HB2 1 27 PHE QD . . 2.910 2.265 2.262 2.276 . 0 0 "[ . 1 . 2]" 1
336 1 27 PHE HB2 1 28 SER H . . 4.020 3.949 3.797 4.093 0.073 15 0 "[ . 1 . 2]" 1
337 1 27 PHE HB2 1 42 LEU QD . . 5.500 4.522 4.245 4.655 . 0 0 "[ . 1 . 2]" 1
338 1 27 PHE HB3 1 27 PHE QD . . 3.020 2.642 2.589 2.702 . 0 0 "[ . 1 . 2]" 1
339 1 27 PHE HB3 1 27 PHE QE . . 4.750 4.471 4.457 4.485 . 0 0 "[ . 1 . 2]" 1
340 1 27 PHE HB3 1 28 SER H . . 3.580 2.952 2.741 3.183 . 0 0 "[ . 1 . 2]" 1
341 1 27 PHE HB3 1 28 SER HA . . 4.580 4.399 4.309 4.516 . 0 0 "[ . 1 . 2]" 1
342 1 27 PHE HB3 1 31 GLU HB3 . . 5.500 3.844 3.643 4.245 . 0 0 "[ . 1 . 2]" 1
343 1 27 PHE HB3 1 32 ARG HA . . 5.500 4.029 3.501 4.441 . 0 0 "[ . 1 . 2]" 1
344 1 27 PHE HB3 1 33 ARG H . . 4.810 4.155 3.673 4.403 . 0 0 "[ . 1 . 2]" 1
345 1 27 PHE HB3 1 33 ARG QB . . 5.430 2.453 2.275 2.542 . 0 0 "[ . 1 . 2]" 1
346 1 27 PHE HB3 1 33 ARG HG2 . . 4.930 3.823 3.603 4.156 . 0 0 "[ . 1 . 2]" 1
347 1 27 PHE HB3 1 33 ARG HG3 . . 5.260 5.054 4.783 5.233 . 0 0 "[ . 1 . 2]" 1
348 1 27 PHE QD 1 28 SER H . . 3.900 3.863 3.757 3.970 0.070 9 0 "[ . 1 . 2]" 1
349 1 27 PHE QD 1 31 GLU H . . 5.500 5.440 5.334 5.534 0.034 18 0 "[ . 1 . 2]" 1
350 1 27 PHE QD 1 31 GLU HB3 . . 4.390 3.282 3.092 3.648 . 0 0 "[ . 1 . 2]" 1
351 1 27 PHE QD 1 31 GLU QG . . 3.730 2.091 1.931 2.681 . 0 0 "[ . 1 . 2]" 1
352 1 27 PHE QD 1 32 ARG HA . . 5.150 4.591 4.189 5.040 . 0 0 "[ . 1 . 2]" 1
353 1 27 PHE QD 1 33 ARG HA . . 4.570 3.415 2.941 3.793 . 0 0 "[ . 1 . 2]" 1
354 1 27 PHE QD 1 33 ARG QB . . 4.440 2.649 2.512 2.745 . 0 0 "[ . 1 . 2]" 1
355 1 27 PHE QD 1 33 ARG HD2 . . 5.500 4.516 3.981 5.281 . 0 0 "[ . 1 . 2]" 1
356 1 27 PHE QD 1 33 ARG HG2 . . 4.460 4.312 3.660 4.521 0.061 11 0 "[ . 1 . 2]" 1
357 1 27 PHE QD 1 33 ARG HG3 . . 5.500 5.013 4.720 5.140 . 0 0 "[ . 1 . 2]" 1
358 1 27 PHE QD 1 42 LEU HB3 . . 4.290 4.289 4.196 4.353 0.063 19 0 "[ . 1 . 2]" 1
359 1 27 PHE QD 1 42 LEU QD . . 4.140 2.894 2.462 3.105 . 0 0 "[ . 1 . 2]" 1
360 1 27 PHE QD 1 44 CYS HA . . 3.480 3.588 3.494 3.688 0.208 18 0 "[ . 1 . 2]" 1
361 1 27 PHE QD 1 44 CYS HB2 . . 4.460 4.047 3.905 4.223 . 0 0 "[ . 1 . 2]" 1
362 1 27 PHE QD 1 44 CYS HB3 . . 4.830 3.523 3.402 3.721 . 0 0 "[ . 1 . 2]" 1
363 1 27 PHE QE 1 31 GLU QG . . 4.670 3.354 3.182 3.772 . 0 0 "[ . 1 . 2]" 1
364 1 27 PHE QE 1 33 ARG HA . . 4.110 3.147 2.675 3.504 . 0 0 "[ . 1 . 2]" 1
365 1 27 PHE QE 1 33 ARG QB . . 4.680 2.994 2.777 3.129 . 0 0 "[ . 1 . 2]" 1
366 1 27 PHE QE 1 33 ARG HG2 . . 5.500 5.364 4.715 5.515 0.015 9 0 "[ . 1 . 2]" 1
367 1 27 PHE QE 1 33 ARG HG3 . . 5.500 5.447 5.166 5.560 0.060 9 0 "[ . 1 . 2]" 1
368 1 27 PHE QE 1 34 HIS H . . 4.890 3.985 3.631 4.179 . 0 0 "[ . 1 . 2]" 1
369 1 27 PHE QE 1 42 LEU HB2 . . 3.820 3.241 3.155 3.350 . 0 0 "[ . 1 . 2]" 1
370 1 27 PHE QE 1 42 LEU HB3 . . 3.570 1.970 1.824 2.095 . 0 0 "[ . 1 . 2]" 1
371 1 27 PHE QE 1 42 LEU QD . . 3.830 2.056 1.890 2.247 . 0 0 "[ . 1 . 2]" 1
372 1 27 PHE QE 1 42 LEU HG . . 4.270 3.852 2.572 4.315 0.045 7 0 "[ . 1 . 2]" 1
373 1 27 PHE QE 1 43 PHE H . . 5.290 4.262 4.101 4.424 . 0 0 "[ . 1 . 2]" 1
374 1 27 PHE QE 1 43 PHE HA . . 5.430 3.740 3.564 3.867 . 0 0 "[ . 1 . 2]" 1
375 1 27 PHE QE 1 44 CYS H . . 4.480 3.281 3.168 3.443 . 0 0 "[ . 1 . 2]" 1
376 1 27 PHE QE 1 44 CYS HA . . 2.920 2.217 2.059 2.392 . 0 0 "[ . 1 . 2]" 1
377 1 27 PHE QE 1 44 CYS HB2 . . 4.160 3.404 3.208 3.724 . 0 0 "[ . 1 . 2]" 1
378 1 27 PHE QE 1 44 CYS HB3 . . 3.520 2.219 1.957 2.680 . 0 0 "[ . 1 . 2]" 1
379 1 27 PHE QE 1 45 GLN H . . 5.100 4.375 4.202 4.562 . 0 0 "[ . 1 . 2]" 1
380 1 27 PHE HZ 1 33 ARG QB . . 5.310 3.690 3.417 3.923 . 0 0 "[ . 1 . 2]" 1
381 1 27 PHE HZ 1 42 LEU HA . . 4.690 4.149 3.888 4.267 . 0 0 "[ . 1 . 2]" 1
382 1 27 PHE HZ 1 42 LEU HB2 . . 4.220 4.099 3.770 4.379 0.159 12 0 "[ . 1 . 2]" 1
383 1 27 PHE HZ 1 42 LEU HB3 . . 3.750 2.416 2.100 2.626 . 0 0 "[ . 1 . 2]" 1
384 1 27 PHE HZ 1 42 LEU QD . . 4.570 3.115 2.699 3.786 . 0 0 "[ . 1 . 2]" 1
385 1 27 PHE HZ 1 43 PHE H . . 4.690 3.392 3.207 3.543 . 0 0 "[ . 1 . 2]" 1
386 1 27 PHE HZ 1 43 PHE HA . . 4.340 2.916 2.774 3.053 . 0 0 "[ . 1 . 2]" 1
387 1 27 PHE HZ 1 44 CYS H . . 4.720 4.019 3.694 4.324 . 0 0 "[ . 1 . 2]" 1
388 1 27 PHE HZ 1 44 CYS HA . . 4.270 4.091 3.883 4.346 0.076 19 0 "[ . 1 . 2]" 1
389 1 27 PHE HZ 1 44 CYS HB3 . . 4.710 4.304 4.081 4.630 . 0 0 "[ . 1 . 2]" 1
390 1 28 SER H 1 28 SER QB . . 3.920 3.034 2.862 3.263 . 0 0 "[ . 1 . 2]" 1
391 1 28 SER H 1 29 LEU H . . 5.500 4.328 4.284 4.344 . 0 0 "[ . 1 . 2]" 1
392 1 28 SER H 1 30 THR H . . 5.310 3.906 3.722 4.108 . 0 0 "[ . 1 . 2]" 1
393 1 28 SER H 1 31 GLU H . . 3.740 2.531 2.395 2.661 . 0 0 "[ . 1 . 2]" 1
394 1 28 SER H 1 31 GLU HA . . 4.780 4.133 4.035 4.243 . 0 0 "[ . 1 . 2]" 1
395 1 28 SER H 1 31 GLU HB3 . . 3.550 1.941 1.901 2.045 . 0 0 "[ . 1 . 2]" 1
396 1 28 SER H 1 31 GLU QG . . 3.920 3.628 3.458 3.932 0.012 19 0 "[ . 1 . 2]" 1
397 1 28 SER H 1 32 ARG H . . 5.500 4.863 4.746 5.001 . 0 0 "[ . 1 . 2]" 1
398 1 28 SER H 1 32 ARG HA . . 4.630 4.528 4.398 4.685 0.055 18 0 "[ . 1 . 2]" 1
399 1 28 SER HA 1 29 LEU HA . . 4.410 4.324 4.319 4.337 . 0 0 "[ . 1 . 2]" 1
400 1 28 SER HA 1 29 LEU HG . . 4.460 4.186 4.034 4.503 0.043 17 0 "[ . 1 . 2]" 1
401 1 28 SER HA 1 30 THR H . . 4.840 4.212 4.154 4.285 . 0 0 "[ . 1 . 2]" 1
402 1 28 SER HA 1 31 GLU H . . 4.680 4.249 4.201 4.318 . 0 0 "[ . 1 . 2]" 1
403 1 28 SER HA 1 31 GLU HB3 . . 5.070 4.698 4.623 4.814 . 0 0 "[ . 1 . 2]" 1
404 1 28 SER QB 1 29 LEU H . . 3.880 1.908 1.836 2.002 . 0 0 "[ . 1 . 2]" 1
405 1 28 SER QB 1 29 LEU QD . . 3.880 2.609 2.405 3.173 . 0 0 "[ . 1 . 2]" 1
406 1 28 SER QB 1 29 LEU HG . . 4.030 3.793 3.220 3.931 . 0 0 "[ . 1 . 2]" 1
407 1 28 SER QB 1 30 THR H . . 4.050 2.708 2.251 3.188 . 0 0 "[ . 1 . 2]" 1
408 1 28 SER QB 1 31 GLU H . . 4.780 3.234 2.749 3.814 . 0 0 "[ . 1 . 2]" 1
409 1 29 LEU H 1 29 LEU HB2 . . 3.940 2.763 2.706 2.878 . 0 0 "[ . 1 . 2]" 1
410 1 29 LEU H 1 29 LEU QD . . 4.390 1.918 1.885 2.064 . 0 0 "[ . 1 . 2]" 1
411 1 29 LEU H 1 29 LEU HG . . 4.560 2.281 2.066 2.414 . 0 0 "[ . 1 . 2]" 1
412 1 29 LEU H 1 30 THR H . . 4.180 2.655 2.589 2.706 . 0 0 "[ . 1 . 2]" 1
413 1 29 LEU H 1 31 GLU H . . 4.930 3.986 3.957 4.019 . 0 0 "[ . 1 . 2]" 1
414 1 29 LEU HA 1 29 LEU HB2 . . 2.950 2.998 2.980 3.005 0.055 2 0 "[ . 1 . 2]" 1
415 1 29 LEU HA 1 29 LEU HB3 . . 2.960 2.344 2.301 2.366 . 0 0 "[ . 1 . 2]" 1
416 1 29 LEU HA 1 29 LEU QD . . 3.620 2.991 2.099 3.187 . 0 0 "[ . 1 . 2]" 1
417 1 29 LEU HA 1 29 LEU HG . . 3.750 2.841 2.660 3.660 . 0 0 "[ . 1 . 2]" 1
418 1 29 LEU HA 1 30 THR MG . . 4.960 4.642 4.506 4.767 . 0 0 "[ . 1 . 2]" 1
419 1 29 LEU HA 1 31 GLU H . . 5.250 4.256 4.128 4.318 . 0 0 "[ . 1 . 2]" 1
420 1 29 LEU HB2 1 29 LEU QD . . 3.100 2.076 1.933 2.472 . 0 0 "[ . 1 . 2]" 1
421 1 29 LEU HB2 1 30 THR H . . 4.210 3.111 2.965 3.287 . 0 0 "[ . 1 . 2]" 1
422 1 29 LEU HB2 1 30 THR MG . . 4.520 3.041 2.818 3.261 . 0 0 "[ . 1 . 2]" 1
423 1 29 LEU HB3 1 29 LEU HG . . 3.100 2.771 2.721 2.996 . 0 0 "[ . 1 . 2]" 1
424 1 29 LEU HB3 1 30 THR H . . 4.160 4.187 4.079 4.311 0.151 17 0 "[ . 1 . 2]" 1
425 1 29 LEU HB3 1 30 THR HA . . 4.600 4.876 4.783 4.997 0.397 17 0 "[ . 1 . 2]" 1
426 1 29 LEU HB3 1 30 THR MG . . 4.650 4.277 4.025 4.681 0.031 15 0 "[ . 1 . 2]" 1
427 1 29 LEU QD 1 30 THR H . . 4.010 3.548 3.363 3.948 . 0 0 "[ . 1 . 2]" 1
428 1 29 LEU QD 1 30 THR MG . . 4.400 3.539 3.293 4.157 . 0 0 "[ . 1 . 2]" 1
429 1 29 LEU HG 1 30 THR H . . 5.500 4.486 4.031 4.617 . 0 0 "[ . 1 . 2]" 1
430 1 29 LEU HG 1 30 THR MG . . 5.420 5.096 3.981 5.406 . 0 0 "[ . 1 . 2]" 1
431 1 30 THR H 1 30 THR MG . . 4.020 2.384 1.863 2.791 . 0 0 "[ . 1 . 2]" 1
432 1 30 THR H 1 31 GLU H . . 2.990 2.092 2.012 2.165 . 0 0 "[ . 1 . 2]" 1
433 1 30 THR H 1 31 GLU HA . . 5.160 4.832 4.755 4.895 . 0 0 "[ . 1 . 2]" 1
434 1 30 THR H 1 31 GLU HB3 . . 5.140 4.522 4.396 4.674 . 0 0 "[ . 1 . 2]" 1
435 1 30 THR HA 1 30 THR MG . . 3.070 2.543 2.238 3.116 0.046 19 0 "[ . 1 . 2]" 1
436 1 30 THR HA 1 31 GLU H . . 3.720 3.430 3.378 3.446 . 0 0 "[ . 1 . 2]" 1
437 1 30 THR HB 1 30 THR MG . . 2.560 2.121 2.092 2.135 . 0 0 "[ . 1 . 2]" 1
438 1 30 THR HB 1 31 GLU H . . 5.500 4.148 3.984 4.446 . 0 0 "[ . 1 . 2]" 1
439 1 30 THR MG 1 31 GLU H . . 4.660 3.674 2.746 4.078 . 0 0 "[ . 1 . 2]" 1
440 1 31 GLU H 1 31 GLU HB3 . . 3.520 2.717 2.626 2.782 . 0 0 "[ . 1 . 2]" 1
441 1 31 GLU H 1 31 GLU QG . . 4.820 4.155 4.089 4.188 . 0 0 "[ . 1 . 2]" 1
442 1 31 GLU H 1 32 ARG H . . 4.410 4.161 4.100 4.211 . 0 0 "[ . 1 . 2]" 1
443 1 31 GLU HA 1 32 ARG H . . 2.780 2.150 2.149 2.153 . 0 0 "[ . 1 . 2]" 1
444 1 31 GLU HA 1 32 ARG HA . . 4.980 4.415 4.413 4.418 . 0 0 "[ . 1 . 2]" 1
445 1 31 GLU HA 1 32 ARG HG2 . . 5.180 5.417 5.104 5.662 0.482 11 0 "[ . 1 . 2]" 1
446 1 31 GLU HB2 1 44 CYS HB2 . . 5.320 5.164 4.912 5.353 0.033 13 0 "[ . 1 . 2]" 1
447 1 31 GLU HB3 1 32 ARG H . . 4.400 4.302 4.255 4.365 . 0 0 "[ . 1 . 2]" 1
448 1 31 GLU QG 1 32 ARG H . . 4.510 3.339 3.009 3.484 . 0 0 "[ . 1 . 2]" 1
449 1 31 GLU QG 1 32 ARG HB2 . . 5.500 4.892 4.573 5.047 . 0 0 "[ . 1 . 2]" 1
450 1 31 GLU QG 1 33 ARG QB . . 5.500 4.770 4.353 5.138 . 0 0 "[ . 1 . 2]" 1
451 1 31 GLU QG 1 44 CYS HB2 . . 5.330 2.765 2.320 2.970 . 0 0 "[ . 1 . 2]" 1
452 1 31 GLU QG 1 45 GLN H . . 5.340 3.835 3.562 3.993 . 0 0 "[ . 1 . 2]" 1
453 1 32 ARG H 1 32 ARG HB3 . . 3.600 3.484 3.388 3.568 . 0 0 "[ . 1 . 2]" 1
454 1 32 ARG H 1 32 ARG QD . . 4.680 4.415 3.981 4.631 . 0 0 "[ . 1 . 2]" 1
455 1 32 ARG H 1 32 ARG HG2 . . 3.610 3.655 3.395 3.851 0.241 11 0 "[ . 1 . 2]" 1
456 1 32 ARG H 1 32 ARG HG3 . . 3.880 3.178 2.656 3.833 . 0 0 "[ . 1 . 2]" 1
457 1 32 ARG H 1 45 GLN H . . 4.950 3.754 3.362 4.267 . 0 0 "[ . 1 . 2]" 1
458 1 32 ARG HA 1 32 ARG QD . . 4.130 3.556 2.835 3.954 . 0 0 "[ . 1 . 2]" 1
459 1 32 ARG HA 1 32 ARG HG2 . . 3.400 2.216 2.110 2.436 . 0 0 "[ . 1 . 2]" 1
460 1 32 ARG HA 1 32 ARG HG3 . . 3.480 3.205 2.983 3.512 0.032 1 0 "[ . 1 . 2]" 1
461 1 32 ARG HA 1 33 ARG H . . 2.830 2.343 2.258 2.452 . 0 0 "[ . 1 . 2]" 1
462 1 32 ARG HA 1 33 ARG HA . . 4.810 4.419 4.389 4.457 . 0 0 "[ . 1 . 2]" 1
463 1 32 ARG HA 1 33 ARG QB . . 5.050 4.133 4.012 4.179 . 0 0 "[ . 1 . 2]" 1
464 1 32 ARG HA 1 33 ARG HG2 . . 5.070 4.421 4.157 5.144 0.074 13 0 "[ . 1 . 2]" 1
465 1 32 ARG HA 1 33 ARG HG3 . . 5.160 4.972 4.539 5.167 0.007 7 0 "[ . 1 . 2]" 1
466 1 32 ARG HB3 1 32 ARG QD . . 3.840 2.153 1.992 2.340 . 0 0 "[ . 1 . 2]" 1
467 1 32 ARG HB3 1 32 ARG HG3 . . 2.960 2.911 2.688 3.010 0.050 9 0 "[ . 1 . 2]" 1
468 1 32 ARG HB3 1 33 ARG H . . 3.570 2.669 2.362 3.017 . 0 0 "[ . 1 . 2]" 1
469 1 32 ARG QD 1 33 ARG H . . 4.720 3.674 2.593 4.521 . 0 0 "[ . 1 . 2]" 1
470 1 32 ARG HG2 1 33 ARG H . . 4.850 3.651 3.322 3.845 . 0 0 "[ . 1 . 2]" 1
471 1 32 ARG HG3 1 33 ARG H . . 4.790 4.763 4.630 4.852 0.062 6 0 "[ . 1 . 2]" 1
472 1 33 ARG H 1 33 ARG QB . . 3.740 2.874 2.767 2.933 . 0 0 "[ . 1 . 2]" 1
473 1 33 ARG H 1 33 ARG HD2 . . 4.990 4.859 4.379 5.033 0.043 3 0 "[ . 1 . 2]" 1
474 1 33 ARG H 1 33 ARG HD3 . . 4.770 4.883 4.800 5.015 0.245 17 0 "[ . 1 . 2]" 1
475 1 33 ARG H 1 33 ARG HG2 . . 3.850 2.801 2.559 3.624 . 0 0 "[ . 1 . 2]" 1
476 1 33 ARG H 1 33 ARG HG3 . . 4.060 2.772 2.309 2.992 . 0 0 "[ . 1 . 2]" 1
477 1 33 ARG H 1 34 HIS H . . 4.540 4.478 4.449 4.515 . 0 0 "[ . 1 . 2]" 1
478 1 33 ARG H 1 34 HIS QB . . 5.500 5.106 4.566 5.649 0.149 15 0 "[ . 1 . 2]" 1
479 1 33 ARG HA 1 33 ARG HD2 . . 5.350 4.547 4.071 4.981 . 0 0 "[ . 1 . 2]" 1
480 1 33 ARG HA 1 33 ARG HD3 . . 5.050 4.651 4.137 4.847 . 0 0 "[ . 1 . 2]" 1
481 1 33 ARG HA 1 34 HIS H . . 2.820 2.319 2.196 2.402 . 0 0 "[ . 1 . 2]" 1
482 1 33 ARG HA 1 34 HIS HA . . 5.160 4.508 4.413 4.551 . 0 0 "[ . 1 . 2]" 1
483 1 33 ARG HA 1 34 HIS QB . . 4.810 4.398 4.101 4.600 . 0 0 "[ . 1 . 2]" 1
484 1 33 ARG HA 1 42 LEU QD . . 5.500 3.493 3.032 4.666 . 0 0 "[ . 1 . 2]" 1
485 1 33 ARG HA 1 43 PHE H . . 4.990 4.513 4.248 4.795 . 0 0 "[ . 1 . 2]" 1
486 1 33 ARG HA 1 44 CYS HA . . 4.610 3.163 2.891 3.619 . 0 0 "[ . 1 . 2]" 1
487 1 33 ARG HA 1 45 GLN H . . 5.070 4.582 4.184 5.121 0.051 9 0 "[ . 1 . 2]" 1
488 1 33 ARG QB 1 34 HIS H . . 4.240 2.651 2.458 2.993 . 0 0 "[ . 1 . 2]" 1
489 1 33 ARG QB 1 42 LEU HB3 . . 5.210 3.879 3.817 3.964 . 0 0 "[ . 1 . 2]" 1
490 1 33 ARG QB 1 43 PHE H . . 5.500 4.663 4.246 4.978 . 0 0 "[ . 1 . 2]" 1
491 1 33 ARG HD2 1 42 LEU HB3 . . 5.410 5.174 4.861 5.467 0.057 13 0 "[ . 1 . 2]" 1
492 1 33 ARG HD2 1 42 LEU QD . . 3.940 2.106 1.892 2.875 . 0 0 "[ . 1 . 2]" 1
493 1 33 ARG HD2 1 42 LEU HG . . 4.210 4.025 2.959 4.334 0.124 8 0 "[ . 1 . 2]" 1
494 1 33 ARG HD3 1 34 HIS H . . 5.070 4.811 3.288 5.101 0.031 15 0 "[ . 1 . 2]" 1
495 1 33 ARG HD3 1 42 LEU HB3 . . 5.500 5.224 4.154 5.523 0.023 9 0 "[ . 1 . 2]" 1
496 1 33 ARG HD3 1 42 LEU QD . . 4.040 2.481 1.885 2.733 . 0 0 "[ . 1 . 2]" 1
497 1 33 ARG HD3 1 42 LEU HG . . 5.460 4.720 1.993 5.475 0.015 4 0 "[ . 1 . 2]" 1
498 1 33 ARG HG2 1 42 LEU QD . . 4.640 3.830 3.395 4.396 . 0 0 "[ . 1 . 2]" 1
499 1 33 ARG HG3 1 34 HIS H . . 5.060 3.795 3.510 4.341 . 0 0 "[ . 1 . 2]" 1
500 1 33 ARG HG3 1 42 LEU QD . . 4.770 3.400 3.051 4.114 . 0 0 "[ . 1 . 2]" 1
501 1 34 HIS H 1 34 HIS QB . . 3.460 3.178 2.496 3.388 . 0 0 "[ . 1 . 2]" 1
502 1 34 HIS H 1 35 HIS H . . 4.910 4.062 3.985 4.225 . 0 0 "[ . 1 . 2]" 1
503 1 34 HIS H 1 35 HIS HA . . 5.500 4.496 4.432 4.733 . 0 0 "[ . 1 . 2]" 1
504 1 34 HIS H 1 42 LEU HB2 . . 5.500 5.479 5.337 5.593 0.093 12 0 "[ . 1 . 2]" 1
505 1 34 HIS H 1 42 LEU HB3 . . 5.140 4.189 3.992 4.435 . 0 0 "[ . 1 . 2]" 1
506 1 34 HIS H 1 42 LEU QD . . 5.220 2.377 1.863 3.734 . 0 0 "[ . 1 . 2]" 1
507 1 34 HIS H 1 43 PHE H . . 3.760 2.864 2.563 3.146 . 0 0 "[ . 1 . 2]" 1
508 1 34 HIS H 1 43 PHE HA . . 5.210 4.995 4.602 5.234 0.024 10 0 "[ . 1 . 2]" 1
509 1 34 HIS H 1 44 CYS HA . . 4.610 4.364 3.865 4.619 0.009 13 0 "[ . 1 . 2]" 1
510 1 34 HIS HA 1 35 HIS H . . 3.190 2.147 2.141 2.180 . 0 0 "[ . 1 . 2]" 1
511 1 34 HIS HA 1 64 ARG QB . . 4.720 3.914 3.455 4.264 . 0 0 "[ . 1 . 2]" 1
512 1 34 HIS HA 1 64 ARG QD . . 5.030 3.957 2.064 5.085 0.055 14 0 "[ . 1 . 2]" 1
513 1 34 HIS QB 1 35 HIS H . . 3.380 3.249 3.024 3.390 0.010 12 0 "[ . 1 . 2]" 1
514 1 34 HIS QB 1 43 PHE H . . 4.700 4.145 3.175 4.707 0.007 10 0 "[ . 1 . 2]" 1
515 1 34 HIS QB 1 64 ARG H . . 4.890 4.764 4.482 5.072 0.182 7 0 "[ . 1 . 2]" 1
516 1 34 HIS QB 1 64 ARG QD . . 4.490 2.760 1.966 3.560 . 0 0 "[ . 1 . 2]" 1
517 1 34 HIS QB 1 64 ARG QG . . 4.130 2.193 1.876 2.950 . 0 0 "[ . 1 . 2]" 1
518 1 35 HIS H 1 36 CYS H . . 5.350 4.375 4.305 4.516 . 0 0 "[ . 1 . 2]" 1
519 1 35 HIS H 1 36 CYS HA . . 5.500 5.204 5.095 5.270 . 0 0 "[ . 1 . 2]" 1
520 1 35 HIS H 1 42 LEU QD . . 5.500 2.930 2.617 3.403 . 0 0 "[ . 1 . 2]" 1
521 1 35 HIS H 1 43 PHE H . . 5.320 5.052 4.775 5.224 . 0 0 "[ . 1 . 2]" 1
522 1 35 HIS HA 1 36 CYS H . . 3.030 2.146 2.139 2.166 . 0 0 "[ . 1 . 2]" 1
523 1 35 HIS HA 1 36 CYS HA . . 5.140 4.400 4.356 4.421 . 0 0 "[ . 1 . 2]" 1
524 1 35 HIS HA 1 36 CYS HB2 . . 4.560 4.499 4.441 4.526 . 0 0 "[ . 1 . 2]" 1
525 1 35 HIS HA 1 36 CYS HB3 . . 4.680 4.689 4.657 4.723 0.043 9 0 "[ . 1 . 2]" 1
526 1 35 HIS HA 1 42 LEU H . . 5.500 4.414 4.280 4.541 . 0 0 "[ . 1 . 2]" 1
527 1 35 HIS HA 1 42 LEU HA . . 3.200 2.346 2.223 2.549 . 0 0 "[ . 1 . 2]" 1
528 1 35 HIS HA 1 42 LEU HB2 . . 5.500 4.642 4.478 4.814 . 0 0 "[ . 1 . 2]" 1
529 1 35 HIS HA 1 42 LEU HB3 . . 4.980 4.861 4.646 5.113 0.133 17 0 "[ . 1 . 2]" 1
530 1 35 HIS HA 1 42 LEU QD . . 3.870 2.531 1.894 2.873 . 0 0 "[ . 1 . 2]" 1
531 1 35 HIS HA 1 42 LEU HG . . 5.220 3.231 2.824 3.962 . 0 0 "[ . 1 . 2]" 1
532 1 35 HIS HA 1 43 PHE H . . 4.050 3.731 3.547 3.936 . 0 0 "[ . 1 . 2]" 1
533 1 35 HIS HA 1 43 PHE QD . . 4.530 4.653 4.567 4.757 0.227 20 0 "[ . 1 . 2]" 1
534 1 35 HIS HB2 1 37 ARG QD . . 5.500 4.410 3.459 5.056 . 0 0 "[ . 1 . 2]" 1
535 1 35 HIS HB2 1 42 LEU QD . . 4.490 2.947 1.950 4.045 . 0 0 "[ . 1 . 2]" 1
536 1 35 HIS HB2 1 42 LEU HG . . 4.670 3.866 2.597 5.600 0.930 13 1 "[ . 1 + . 2]" 1
537 1 35 HIS HB3 1 36 CYS H . . 4.920 3.994 3.401 4.485 . 0 0 "[ . 1 . 2]" 1
538 1 35 HIS HB3 1 37 ARG QD . . 4.420 3.743 3.145 5.157 0.737 13 2 "[ - . 1 + . 2]" 1
539 1 35 HIS HB3 1 42 LEU HA . . 5.500 4.867 3.717 5.349 . 0 0 "[ . 1 . 2]" 1
540 1 35 HIS HB3 1 42 LEU QD . . 4.420 3.675 1.920 4.241 . 0 0 "[ . 1 . 2]" 1
541 1 36 CYS H 1 36 CYS HB2 . . 3.570 2.447 2.400 2.577 . 0 0 "[ . 1 . 2]" 1
542 1 36 CYS H 1 36 CYS HB3 . . 3.530 2.621 2.556 2.661 . 0 0 "[ . 1 . 2]" 1
543 1 36 CYS H 1 37 ARG H . . 5.220 4.510 4.484 4.531 . 0 0 "[ . 1 . 2]" 1
544 1 36 CYS H 1 37 ARG HA . . 5.500 5.462 5.318 5.529 0.029 8 0 "[ . 1 . 2]" 1
545 1 36 CYS H 1 40 GLY H . . 5.490 4.059 3.848 4.245 . 0 0 "[ . 1 . 2]" 1
546 1 36 CYS H 1 41 GLN H . . 4.340 3.221 3.053 3.387 . 0 0 "[ . 1 . 2]" 1
547 1 36 CYS H 1 41 GLN HB2 . . 5.500 4.399 4.218 4.681 . 0 0 "[ . 1 . 2]" 1
548 1 36 CYS H 1 42 LEU QD . . 4.770 4.179 3.537 4.456 . 0 0 "[ . 1 . 2]" 1
549 1 36 CYS H 1 42 LEU HG . . 5.450 5.083 4.707 5.722 0.272 13 0 "[ . 1 . 2]" 1
550 1 36 CYS H 1 43 PHE H . . 4.860 4.225 4.033 4.487 . 0 0 "[ . 1 . 2]" 1
551 1 36 CYS H 1 43 PHE QD . . 4.000 3.440 3.324 3.778 . 0 0 "[ . 1 . 2]" 1
552 1 36 CYS H 1 43 PHE QE . . 4.380 3.998 3.920 4.124 . 0 0 "[ . 1 . 2]" 1
553 1 36 CYS HA 1 37 ARG H . . 2.980 2.143 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
554 1 36 CYS HA 1 37 ARG QG . . 4.330 3.493 3.442 3.552 . 0 0 "[ . 1 . 2]" 1
555 1 36 CYS HA 1 38 ASN H . . 4.580 3.452 3.417 3.492 . 0 0 "[ . 1 . 2]" 1
556 1 36 CYS HA 1 39 CYS H . . 5.440 4.610 4.510 4.692 . 0 0 "[ . 1 . 2]" 1
557 1 36 CYS HA 1 43 PHE QE . . 5.150 5.143 5.071 5.198 0.048 20 0 "[ . 1 . 2]" 1
558 1 36 CYS HA 1 54 ILE MD . . 5.500 4.172 3.839 4.541 . 0 0 "[ . 1 . 2]" 1
559 1 36 CYS HA 1 64 ARG QB . . 4.830 3.041 2.669 4.281 . 0 0 "[ . 1 . 2]" 1
560 1 36 CYS HA 1 64 ARG QG . . 4.820 4.551 2.289 4.942 0.122 7 0 "[ . 1 . 2]" 1
561 1 36 CYS HA 1 65 VAL HA . . 3.160 3.036 2.891 3.171 0.011 19 0 "[ . 1 . 2]" 1
562 1 36 CYS HA 1 65 VAL HB . . 5.500 5.366 5.209 5.558 0.058 19 0 "[ . 1 . 2]" 1
563 1 36 CYS HA 1 65 VAL MG1 . . 4.080 3.814 3.551 4.021 . 0 0 "[ . 1 . 2]" 1
564 1 36 CYS HA 1 66 CYS H . . 4.620 4.214 4.084 4.337 . 0 0 "[ . 1 . 2]" 1
565 1 36 CYS HB2 1 37 ARG H . . 5.020 4.335 4.298 4.362 . 0 0 "[ . 1 . 2]" 1
566 1 36 CYS HB2 1 38 ASN H . . 5.040 4.245 4.194 4.286 . 0 0 "[ . 1 . 2]" 1
567 1 36 CYS HB2 1 39 CYS H . . 4.250 4.196 4.074 4.329 0.079 15 0 "[ . 1 . 2]" 1
568 1 36 CYS HB2 1 40 GLY H . . 4.280 4.095 3.920 4.265 . 0 0 "[ . 1 . 2]" 1
569 1 36 CYS HB2 1 41 GLN H . . 3.920 3.693 3.557 3.863 . 0 0 "[ . 1 . 2]" 1
570 1 36 CYS HB2 1 43 PHE QD . . 3.780 2.599 2.455 2.722 . 0 0 "[ . 1 . 2]" 1
571 1 36 CYS HB2 1 43 PHE QE . . 3.290 2.691 2.613 2.747 . 0 0 "[ . 1 . 2]" 1
572 1 36 CYS HB2 1 43 PHE HZ . . 5.170 5.153 5.078 5.209 0.039 20 0 "[ . 1 . 2]" 1
573 1 36 CYS HB2 1 65 VAL HA . . 4.110 3.490 3.355 3.620 . 0 0 "[ . 1 . 2]" 1
574 1 36 CYS HB2 1 66 CYS H . . 4.870 3.136 2.948 3.266 . 0 0 "[ . 1 . 2]" 1
575 1 36 CYS HB2 1 66 CYS HA . . 5.420 4.734 4.671 4.850 . 0 0 "[ . 1 . 2]" 1
576 1 36 CYS HB2 1 66 CYS QB . . 4.120 3.354 3.287 3.447 . 0 0 "[ . 1 . 2]" 1
577 1 36 CYS HB3 1 37 ARG H . . 4.770 4.192 4.145 4.235 . 0 0 "[ . 1 . 2]" 1
578 1 36 CYS HB3 1 40 GLY H . . 4.290 2.349 2.169 2.523 . 0 0 "[ . 1 . 2]" 1
579 1 36 CYS HB3 1 40 GLY HA2 . . 5.360 4.002 3.803 4.176 . 0 0 "[ . 1 . 2]" 1
580 1 36 CYS HB3 1 41 GLN H . . 4.560 2.348 2.234 2.490 . 0 0 "[ . 1 . 2]" 1
581 1 36 CYS HB3 1 43 PHE QD . . 3.870 3.916 3.766 3.997 0.127 10 0 "[ . 1 . 2]" 1
582 1 36 CYS HB3 1 43 PHE QE . . 3.380 2.982 2.876 3.059 . 0 0 "[ . 1 . 2]" 1
583 1 36 CYS HB3 1 43 PHE HZ . . 5.250 5.204 5.146 5.284 0.034 9 0 "[ . 1 . 2]" 1
584 1 36 CYS HB3 1 65 VAL HA . . 4.420 4.527 4.450 4.603 0.183 17 0 "[ . 1 . 2]" 1
585 1 36 CYS HB3 1 66 CYS H . . 4.260 4.293 4.171 4.368 0.108 20 0 "[ . 1 . 2]" 1
586 1 36 CYS HB3 1 66 CYS QB . . 4.530 4.479 4.447 4.552 0.022 9 0 "[ . 1 . 2]" 1
587 1 37 ARG H 1 37 ARG QB . . 3.250 2.692 2.643 2.739 . 0 0 "[ . 1 . 2]" 1
588 1 37 ARG H 1 37 ARG QD . . 4.320 2.822 2.570 3.002 . 0 0 "[ . 1 . 2]" 1
589 1 37 ARG H 1 37 ARG QG . . 3.600 1.892 1.856 1.934 . 0 0 "[ . 1 . 2]" 1
590 1 37 ARG H 1 38 ASN H . . 3.940 2.578 2.520 2.611 . 0 0 "[ . 1 . 2]" 1
591 1 37 ARG H 1 38 ASN HB2 . . 4.930 4.334 4.184 4.442 . 0 0 "[ . 1 . 2]" 1
592 1 37 ARG H 1 39 CYS H . . 5.500 4.516 4.474 4.652 . 0 0 "[ . 1 . 2]" 1
593 1 37 ARG H 1 54 ILE MD . . 4.670 2.826 2.503 3.121 . 0 0 "[ . 1 . 2]" 1
594 1 37 ARG H 1 54 ILE QG . . 5.500 4.758 4.448 5.040 . 0 0 "[ . 1 . 2]" 1
595 1 37 ARG H 1 63 VAL MG2 . . 3.990 3.284 2.972 3.636 . 0 0 "[ . 1 . 2]" 1
596 1 37 ARG H 1 64 ARG QG . . 5.500 4.904 2.705 5.403 . 0 0 "[ . 1 . 2]" 1
597 1 37 ARG H 1 65 VAL HA . . 3.830 3.829 3.720 3.917 0.087 7 0 "[ . 1 . 2]" 1
598 1 37 ARG H 1 66 CYS H . . 5.480 5.461 5.394 5.528 0.048 7 0 "[ . 1 . 2]" 1
599 1 37 ARG HA 1 37 ARG QD . . 3.260 2.130 2.053 2.372 . 0 0 "[ . 1 . 2]" 1
600 1 37 ARG HA 1 37 ARG QG . . 3.220 3.194 3.139 3.242 0.022 9 0 "[ . 1 . 2]" 1
601 1 37 ARG HA 1 54 ILE MD . . 4.960 3.894 3.729 4.051 . 0 0 "[ . 1 . 2]" 1
602 1 37 ARG HA 1 57 LEU QD . . 5.500 4.778 4.280 5.254 . 0 0 "[ . 1 . 2]" 1
603 1 37 ARG QB 1 38 ASN H . . 4.550 3.478 3.413 3.513 . 0 0 "[ . 1 . 2]" 1
604 1 37 ARG QB 1 54 ILE MD . . 3.860 1.871 1.844 1.971 . 0 0 "[ . 1 . 2]" 1
605 1 37 ARG QB 1 63 VAL MG2 . . 3.280 2.360 2.161 2.643 . 0 0 "[ . 1 . 2]" 1
606 1 37 ARG QD 1 38 ASN H . . 5.500 4.504 4.367 4.631 . 0 0 "[ . 1 . 2]" 1
607 1 37 ARG QD 1 54 ILE MD . . 4.980 4.203 4.016 4.343 . 0 0 "[ . 1 . 2]" 1
608 1 37 ARG QD 1 59 ILE MD . . 4.840 4.240 3.799 4.601 . 0 0 "[ . 1 . 2]" 1
609 1 37 ARG QD 1 63 VAL HB . . 4.500 3.583 3.160 4.032 . 0 0 "[ . 1 . 2]" 1
610 1 37 ARG QD 1 63 VAL MG2 . . 4.540 3.818 3.536 4.151 . 0 0 "[ . 1 . 2]" 1
611 1 37 ARG QD 1 64 ARG H . . 5.120 3.910 3.471 4.460 . 0 0 "[ . 1 . 2]" 1
612 1 37 ARG QD 1 64 ARG QB . . 4.630 3.779 3.112 4.420 . 0 0 "[ . 1 . 2]" 1
613 1 37 ARG QD 1 64 ARG QG . . 5.500 3.898 2.299 4.563 . 0 0 "[ . 1 . 2]" 1
614 1 37 ARG QG 1 63 VAL HB . . 3.440 2.120 1.929 2.310 . 0 0 "[ . 1 . 2]" 1
615 1 37 ARG QG 1 63 VAL MG2 . . 3.270 2.034 1.842 2.373 . 0 0 "[ . 1 . 2]" 1
616 1 37 ARG QG 1 64 ARG H . . 4.870 3.069 2.735 3.384 . 0 0 "[ . 1 . 2]" 1
617 1 37 ARG QG 1 64 ARG HA . . 5.500 4.964 4.611 5.258 . 0 0 "[ . 1 . 2]" 1
618 1 38 ASN H 1 38 ASN HB2 . . 3.600 2.552 2.385 2.678 . 0 0 "[ . 1 . 2]" 1
619 1 38 ASN H 1 38 ASN HB3 . . 3.640 2.778 2.668 3.050 . 0 0 "[ . 1 . 2]" 1
620 1 38 ASN H 1 39 CYS H . . 3.250 2.241 2.178 2.343 . 0 0 "[ . 1 . 2]" 1
621 1 38 ASN H 1 39 CYS HB2 . . 5.490 5.317 4.769 5.821 0.331 11 0 "[ . 1 . 2]" 1
622 1 38 ASN H 1 40 GLY H . . 4.130 3.353 3.299 3.406 . 0 0 "[ . 1 . 2]" 1
623 1 38 ASN H 1 40 GLY HA2 . . 5.500 4.861 4.798 4.923 . 0 0 "[ . 1 . 2]" 1
624 1 38 ASN H 1 41 GLN H . . 5.320 5.082 5.043 5.162 . 0 0 "[ . 1 . 2]" 1
625 1 38 ASN H 1 54 ILE MD . . 4.490 2.698 2.514 3.065 . 0 0 "[ . 1 . 2]" 1
626 1 38 ASN H 1 54 ILE QG . . 4.900 4.618 4.532 4.662 . 0 0 "[ . 1 . 2]" 1
627 1 38 ASN H 1 57 LEU QD . . 5.500 4.333 3.960 4.790 . 0 0 "[ . 1 . 2]" 1
628 1 38 ASN H 1 65 VAL HA . . 4.430 4.265 4.124 4.438 0.008 12 0 "[ . 1 . 2]" 1
629 1 38 ASN H 1 65 VAL MG1 . . 3.840 3.832 3.739 3.922 0.082 6 0 "[ . 1 . 2]" 1
630 1 38 ASN HA 1 54 ILE MD . . 3.510 2.758 2.637 2.920 . 0 0 "[ . 1 . 2]" 1
631 1 38 ASN HA 1 54 ILE QG . . 5.500 4.430 4.087 4.592 . 0 0 "[ . 1 . 2]" 1
632 1 38 ASN HA 1 54 ILE MG . . 3.790 2.777 2.580 3.014 . 0 0 "[ . 1 . 2]" 1
633 1 38 ASN HA 1 57 LEU QD . . 3.830 2.143 1.857 2.692 . 0 0 "[ . 1 . 2]" 1
634 1 38 ASN HB2 1 39 CYS H . . 3.610 3.635 3.366 3.748 0.138 15 0 "[ . 1 . 2]" 1
635 1 38 ASN HB2 1 54 ILE MD . . 3.580 1.976 1.906 2.504 . 0 0 "[ . 1 . 2]" 1
636 1 38 ASN HB2 1 54 ILE QG . . 4.340 3.014 2.758 3.172 . 0 0 "[ . 1 . 2]" 1
637 1 38 ASN HB2 1 54 ILE MG . . 3.810 2.867 2.477 3.280 . 0 0 "[ . 1 . 2]" 1
638 1 38 ASN HB2 1 69 CYS HB3 . . 4.490 3.581 3.368 3.816 . 0 0 "[ . 1 . 2]" 1
639 1 38 ASN HB2 1 73 LEU QD . . 4.140 3.725 3.407 3.948 . 0 0 "[ . 1 . 2]" 1
640 1 38 ASN HB3 1 39 CYS H . . 3.340 2.595 2.431 2.730 . 0 0 "[ . 1 . 2]" 1
641 1 38 ASN HB3 1 40 GLY H . . 5.280 4.572 4.464 4.774 . 0 0 "[ . 1 . 2]" 1
642 1 38 ASN HB3 1 54 ILE MD . . 4.090 3.446 3.197 3.957 . 0 0 "[ . 1 . 2]" 1
643 1 38 ASN HB3 1 54 ILE QG . . 4.900 4.573 4.308 4.762 . 0 0 "[ . 1 . 2]" 1
644 1 38 ASN HB3 1 65 VAL HA . . 5.220 4.779 4.498 5.086 . 0 0 "[ . 1 . 2]" 1
645 1 38 ASN HB3 1 65 VAL MG1 . . 4.550 4.314 4.031 4.559 0.009 13 0 "[ . 1 . 2]" 1
646 1 38 ASN HB3 1 66 CYS H . . 5.470 4.685 4.461 4.918 . 0 0 "[ . 1 . 2]" 1
647 1 38 ASN HB3 1 69 CYS HB2 . . 4.500 4.003 3.792 4.281 . 0 0 "[ . 1 . 2]" 1
648 1 38 ASN HB3 1 69 CYS HB3 . . 4.200 3.724 3.468 3.949 . 0 0 "[ . 1 . 2]" 1
649 1 39 CYS H 1 40 GLY H . . 3.090 2.010 1.926 2.107 . 0 0 "[ . 1 . 2]" 1
650 1 39 CYS H 1 40 GLY HA2 . . 4.620 4.229 4.130 4.339 . 0 0 "[ . 1 . 2]" 1
651 1 39 CYS H 1 40 GLY HA3 . . 4.630 4.658 4.576 4.748 0.118 13 0 "[ . 1 . 2]" 1
652 1 39 CYS H 1 41 GLN H . . 4.630 3.755 3.664 3.850 . 0 0 "[ . 1 . 2]" 1
653 1 39 CYS H 1 54 ILE MD . . 5.430 4.381 4.217 4.789 . 0 0 "[ . 1 . 2]" 1
654 1 39 CYS HA 1 39 CYS HB2 . . 3.110 2.851 2.673 3.014 . 0 0 "[ . 1 . 2]" 1
655 1 39 CYS HA 1 41 GLN HG2 . . 5.500 5.324 5.264 5.449 . 0 0 "[ . 1 . 2]" 1
656 1 39 CYS HB2 1 40 GLY H . . 4.770 3.042 2.696 3.430 . 0 0 "[ . 1 . 2]" 1
657 1 39 CYS HB2 1 41 GLN H . . 4.730 3.120 2.768 3.522 . 0 0 "[ . 1 . 2]" 1
658 1 39 CYS HB2 1 41 GLN HG2 . . 4.830 3.324 3.003 3.721 . 0 0 "[ . 1 . 2]" 1
659 1 39 CYS HB2 1 41 GLN HG3 . . 4.520 2.456 2.227 2.741 . 0 0 "[ . 1 . 2]" 1
660 1 39 CYS HB3 1 40 GLY H . . 5.270 4.065 3.933 4.187 . 0 0 "[ . 1 . 2]" 1
661 1 39 CYS HB3 1 40 GLY HA3 . . 5.400 5.458 5.104 5.805 0.405 12 0 "[ . 1 . 2]" 1
662 1 40 GLY H 1 41 GLN H . . 3.670 2.179 2.136 2.235 . 0 0 "[ . 1 . 2]" 1
663 1 40 GLY H 1 43 PHE QE . . 5.150 4.725 4.455 4.924 . 0 0 "[ . 1 . 2]" 1
664 1 41 GLN H 1 41 GLN HB2 . . 3.530 2.673 2.642 2.713 . 0 0 "[ . 1 . 2]" 1
665 1 41 GLN H 1 41 GLN HB3 . . 3.910 3.741 3.710 3.778 . 0 0 "[ . 1 . 2]" 1
666 1 41 GLN H 1 41 GLN HG2 . . 3.750 2.923 2.826 3.081 . 0 0 "[ . 1 . 2]" 1
667 1 41 GLN H 1 41 GLN HG3 . . 3.580 3.052 2.843 3.272 . 0 0 "[ . 1 . 2]" 1
668 1 41 GLN H 1 42 LEU H . . 4.940 4.513 4.453 4.549 . 0 0 "[ . 1 . 2]" 1
669 1 41 GLN H 1 42 LEU HA . . 5.500 5.069 5.006 5.141 . 0 0 "[ . 1 . 2]" 1
670 1 41 GLN H 1 43 PHE QE . . 4.090 3.481 3.212 3.672 . 0 0 "[ . 1 . 2]" 1
671 1 41 GLN H 1 43 PHE HZ . . 5.000 4.925 4.773 5.020 0.020 2 0 "[ . 1 . 2]" 1
672 1 41 GLN HA 1 41 GLN HG2 . . 3.650 2.572 2.530 2.593 . 0 0 "[ . 1 . 2]" 1
673 1 41 GLN HA 1 41 GLN HG3 . . 3.940 3.717 3.679 3.744 . 0 0 "[ . 1 . 2]" 1
674 1 41 GLN HA 1 42 LEU H . . 2.990 2.289 2.194 2.411 . 0 0 "[ . 1 . 2]" 1
675 1 41 GLN HA 1 42 LEU HA . . 4.610 4.351 4.337 4.368 . 0 0 "[ . 1 . 2]" 1
676 1 41 GLN HA 1 42 LEU QD . . 5.500 4.605 3.948 4.855 . 0 0 "[ . 1 . 2]" 1
677 1 41 GLN HB2 1 42 LEU H . . 3.990 3.714 3.496 3.948 . 0 0 "[ . 1 . 2]" 1
678 1 41 GLN HB2 1 43 PHE H . . 5.500 5.582 5.427 5.818 0.318 12 0 "[ . 1 . 2]" 1
679 1 41 GLN HB2 1 43 PHE QD . . 4.340 3.845 3.776 3.886 . 0 0 "[ . 1 . 2]" 1
680 1 41 GLN HB2 1 43 PHE QE . . 3.370 2.281 2.220 2.354 . 0 0 "[ . 1 . 2]" 1
681 1 41 GLN HB2 1 43 PHE HZ . . 3.880 2.580 2.412 2.679 . 0 0 "[ . 1 . 2]" 1
682 1 41 GLN HB3 1 41 GLN HG2 . . 2.830 2.783 2.743 2.831 0.001 1 0 "[ . 1 . 2]" 1
683 1 41 GLN HB3 1 42 LEU H . . 3.450 2.766 2.445 3.067 . 0 0 "[ . 1 . 2]" 1
684 1 41 GLN HB3 1 43 PHE QD . . 4.640 4.700 4.667 4.771 0.131 17 0 "[ . 1 . 2]" 1
685 1 41 GLN HB3 1 43 PHE QE . . 3.780 3.665 3.614 3.731 . 0 0 "[ . 1 . 2]" 1
686 1 41 GLN HB3 1 43 PHE HZ . . 4.150 3.463 3.336 3.582 . 0 0 "[ . 1 . 2]" 1
687 1 41 GLN HG2 1 42 LEU H . . 4.550 4.566 4.503 4.630 0.080 12 0 "[ . 1 . 2]" 1
688 1 41 GLN HG2 1 43 PHE QE . . 4.730 4.729 4.693 4.757 0.027 15 0 "[ . 1 . 2]" 1
689 1 41 GLN HG2 1 43 PHE HZ . . 5.290 4.788 4.733 4.842 . 0 0 "[ . 1 . 2]" 1
690 1 41 GLN HG3 1 42 LEU H . . 5.390 5.258 5.061 5.419 0.029 20 0 "[ . 1 . 2]" 1
691 1 41 GLN HG3 1 43 PHE QE . . 5.190 3.641 3.519 3.741 . 0 0 "[ . 1 . 2]" 1
692 1 41 GLN HG3 1 43 PHE HZ . . 5.170 3.373 3.274 3.485 . 0 0 "[ . 1 . 2]" 1
693 1 42 LEU H 1 42 LEU HB2 . . 3.330 2.164 2.082 2.234 . 0 0 "[ . 1 . 2]" 1
694 1 42 LEU H 1 42 LEU HB3 . . 3.700 3.349 3.236 3.428 . 0 0 "[ . 1 . 2]" 1
695 1 42 LEU H 1 42 LEU QD . . 4.750 3.495 2.961 3.740 . 0 0 "[ . 1 . 2]" 1
696 1 42 LEU H 1 42 LEU HG . . 3.710 3.838 3.526 4.485 0.775 12 5 "[ . 1 +* . ** -]" 1
697 1 42 LEU H 1 43 PHE H . . 4.840 4.487 4.426 4.572 . 0 0 "[ . 1 . 2]" 1
698 1 42 LEU H 1 43 PHE HA . . 5.500 5.247 5.141 5.412 . 0 0 "[ . 1 . 2]" 1
699 1 42 LEU HA 1 42 LEU QD . . 3.300 2.199 1.922 2.419 . 0 0 "[ . 1 . 2]" 1
700 1 42 LEU HA 1 43 PHE H . . 3.690 2.155 2.143 2.184 . 0 0 "[ . 1 . 2]" 1
701 1 42 LEU HA 1 43 PHE HA . . 4.790 4.401 4.393 4.420 . 0 0 "[ . 1 . 2]" 1
702 1 42 LEU HA 1 43 PHE HB2 . . 5.010 4.543 4.474 4.586 . 0 0 "[ . 1 . 2]" 1
703 1 42 LEU HA 1 43 PHE QD . . 4.230 4.054 3.953 4.141 . 0 0 "[ . 1 . 2]" 1
704 1 42 LEU HB2 1 43 PHE H . . 4.440 4.432 4.373 4.470 0.030 14 0 "[ . 1 . 2]" 1
705 1 42 LEU HB3 1 43 PHE H . . 4.050 3.465 3.354 3.549 . 0 0 "[ . 1 . 2]" 1
706 1 42 LEU QD 1 43 PHE H . . 4.240 2.904 2.583 3.584 . 0 0 "[ . 1 . 2]" 1
707 1 42 LEU QD 1 43 PHE HB2 . . 5.500 5.053 4.829 5.542 0.042 18 0 "[ . 1 . 2]" 1
708 1 42 LEU HG 1 43 PHE H . . 5.100 4.181 3.226 4.605 . 0 0 "[ . 1 . 2]" 1
709 1 43 PHE H 1 43 PHE HB2 . . 3.840 2.698 2.650 2.765 . 0 0 "[ . 1 . 2]" 1
710 1 43 PHE H 1 43 PHE QD . . 4.090 3.268 3.103 3.496 . 0 0 "[ . 1 . 2]" 1
711 1 43 PHE H 1 43 PHE QE . . 5.490 5.061 4.930 5.246 . 0 0 "[ . 1 . 2]" 1
712 1 43 PHE H 1 44 CYS H . . 5.100 4.454 4.418 4.476 . 0 0 "[ . 1 . 2]" 1
713 1 43 PHE HA 1 43 PHE QD . . 3.740 2.623 2.534 2.701 . 0 0 "[ . 1 . 2]" 1
714 1 43 PHE HA 1 44 CYS H . . 3.160 2.389 2.297 2.464 . 0 0 "[ . 1 . 2]" 1
715 1 43 PHE HA 1 44 CYS HA . . 5.090 4.346 4.338 4.360 . 0 0 "[ . 1 . 2]" 1
716 1 43 PHE HA 1 44 CYS HB3 . . 5.350 4.457 4.421 4.525 . 0 0 "[ . 1 . 2]" 1
717 1 43 PHE HA 1 47 CYS HB2 . . 5.300 3.855 3.733 3.942 . 0 0 "[ . 1 . 2]" 1
718 1 43 PHE HA 1 47 CYS HB3 . . 4.650 4.065 3.900 4.201 . 0 0 "[ . 1 . 2]" 1
719 1 43 PHE HB2 1 43 PHE QD . . 3.450 2.296 2.281 2.313 . 0 0 "[ . 1 . 2]" 1
720 1 43 PHE HB2 1 44 CYS H . . 4.260 3.641 3.505 3.817 . 0 0 "[ . 1 . 2]" 1
721 1 43 PHE HB2 1 47 CYS HB2 . . 5.050 4.150 3.948 4.370 . 0 0 "[ . 1 . 2]" 1
722 1 43 PHE HB2 1 47 CYS HB3 . . 4.620 3.474 3.351 3.605 . 0 0 "[ . 1 . 2]" 1
723 1 43 PHE HB2 1 48 SER H . . 4.880 4.091 3.977 4.231 . 0 0 "[ . 1 . 2]" 1
724 1 43 PHE HB2 1 48 SER HA . . 5.280 5.300 5.203 5.365 0.085 13 0 "[ . 1 . 2]" 1
725 1 43 PHE HB2 1 48 SER QB . . 4.200 3.673 3.042 3.985 . 0 0 "[ . 1 . 2]" 1
726 1 43 PHE HB3 1 43 PHE QD . . 3.050 2.508 2.476 2.541 . 0 0 "[ . 1 . 2]" 1
727 1 43 PHE HB3 1 43 PHE QE . . 4.780 4.437 4.429 4.446 . 0 0 "[ . 1 . 2]" 1
728 1 43 PHE HB3 1 44 CYS H . . 3.980 2.474 2.303 2.703 . 0 0 "[ . 1 . 2]" 1
729 1 43 PHE HB3 1 47 CYS HB3 . . 4.630 1.966 1.897 2.017 . 0 0 "[ . 1 . 2]" 1
730 1 43 PHE HB3 1 66 CYS HA . . 5.040 4.682 4.448 4.932 . 0 0 "[ . 1 . 2]" 1
731 1 43 PHE QD 1 44 CYS H . . 4.490 3.660 3.600 3.722 . 0 0 "[ . 1 . 2]" 1
732 1 43 PHE QD 1 47 CYS HB2 . . 3.750 3.818 3.681 3.886 0.136 19 0 "[ . 1 . 2]" 1
733 1 43 PHE QD 1 47 CYS HB3 . . 3.530 3.187 3.017 3.363 . 0 0 "[ . 1 . 2]" 1
734 1 43 PHE QD 1 65 VAL HA . . 5.410 5.151 4.916 5.269 . 0 0 "[ . 1 . 2]" 1
735 1 43 PHE QD 1 66 CYS QB . . 4.300 2.706 2.565 2.869 . 0 0 "[ . 1 . 2]" 1
736 1 43 PHE QD 1 67 GLN H . . 5.480 5.506 5.452 5.565 0.085 14 0 "[ . 1 . 2]" 1
737 1 43 PHE QE 1 65 VAL HA . . 5.500 5.606 5.549 5.662 0.162 6 0 "[ . 1 . 2]" 1
738 1 43 PHE QE 1 66 CYS HA . . 5.500 4.888 4.809 4.966 . 0 0 "[ . 1 . 2]" 1
739 1 43 PHE QE 1 66 CYS QB . . 3.910 2.681 2.598 2.775 . 0 0 "[ . 1 . 2]" 1
740 1 43 PHE HZ 1 66 CYS QB . . 4.470 3.739 3.674 3.826 . 0 0 "[ . 1 . 2]" 1
741 1 44 CYS H 1 44 CYS HB2 . . 3.940 3.653 3.634 3.674 . 0 0 "[ . 1 . 2]" 1
742 1 44 CYS H 1 44 CYS HB3 . . 3.480 2.786 2.720 2.845 . 0 0 "[ . 1 . 2]" 1
743 1 44 CYS H 1 47 CYS H . . 4.710 3.465 3.399 3.552 . 0 0 "[ . 1 . 2]" 1
744 1 44 CYS H 1 47 CYS HB2 . . 3.570 2.002 1.945 2.105 . 0 0 "[ . 1 . 2]" 1
745 1 44 CYS H 1 47 CYS HB3 . . 4.080 3.132 3.051 3.248 . 0 0 "[ . 1 . 2]" 1
746 1 44 CYS HA 1 44 CYS HB2 . . 2.970 2.453 2.438 2.484 . 0 0 "[ . 1 . 2]" 1
747 1 44 CYS HA 1 44 CYS HB3 . . 3.070 2.453 2.423 2.468 . 0 0 "[ . 1 . 2]" 1
748 1 44 CYS HA 1 45 GLN H . . 3.220 2.370 2.357 2.389 . 0 0 "[ . 1 . 2]" 1
749 1 44 CYS HA 1 45 GLN HA . . 4.590 4.294 4.293 4.294 . 0 0 "[ . 1 . 2]" 1
750 1 44 CYS HA 1 45 GLN HB3 . . 5.500 4.562 4.474 4.635 . 0 0 "[ . 1 . 2]" 1
751 1 44 CYS HA 1 46 LYS H . . 4.700 3.979 3.953 4.017 . 0 0 "[ . 1 . 2]" 1
752 1 44 CYS HA 1 47 CYS H . . 5.500 4.356 4.322 4.377 . 0 0 "[ . 1 . 2]" 1
753 1 44 CYS HB2 1 45 GLN H . . 3.490 2.522 2.484 2.555 . 0 0 "[ . 1 . 2]" 1
754 1 44 CYS HB2 1 45 GLN HB3 . . 5.360 4.603 4.093 4.875 . 0 0 "[ . 1 . 2]" 1
755 1 44 CYS HB2 1 46 LYS H . . 4.310 2.705 2.625 2.750 . 0 0 "[ . 1 . 2]" 1
756 1 44 CYS HB2 1 46 LYS HB2 . . 4.950 3.728 3.585 3.879 . 0 0 "[ . 1 . 2]" 1
757 1 44 CYS HB2 1 46 LYS HB3 . . 5.040 4.602 4.436 4.851 . 0 0 "[ . 1 . 2]" 1
758 1 44 CYS HB2 1 47 CYS H . . 5.500 3.863 3.718 3.918 . 0 0 "[ . 1 . 2]" 1
759 1 44 CYS HB3 1 45 GLN H . . 4.130 3.829 3.798 3.861 . 0 0 "[ . 1 . 2]" 1
760 1 44 CYS HB3 1 46 LYS H . . 4.900 4.121 4.105 4.155 . 0 0 "[ . 1 . 2]" 1
761 1 44 CYS HB3 1 47 CYS H . . 5.500 4.475 4.434 4.495 . 0 0 "[ . 1 . 2]" 1
762 1 45 GLN H 1 45 GLN HB2 . . 3.710 3.386 2.808 3.584 . 0 0 "[ . 1 . 2]" 1
763 1 45 GLN H 1 45 GLN HB3 . . 3.560 2.354 2.245 2.455 . 0 0 "[ . 1 . 2]" 1
764 1 45 GLN H 1 45 GLN HG2 . . 4.450 2.877 2.328 4.255 . 0 0 "[ . 1 . 2]" 1
765 1 45 GLN H 1 45 GLN HG3 . . 4.520 3.772 3.267 4.453 . 0 0 "[ . 1 . 2]" 1
766 1 45 GLN H 1 46 LYS H . . 3.780 2.696 2.687 2.705 . 0 0 "[ . 1 . 2]" 1
767 1 45 GLN H 1 46 LYS HB2 . . 5.050 4.561 4.512 4.630 . 0 0 "[ . 1 . 2]" 1
768 1 45 GLN HA 1 45 GLN HB2 . . 2.860 2.368 2.307 2.422 . 0 0 "[ . 1 . 2]" 1
769 1 45 GLN HA 1 45 GLN HB3 . . 3.010 2.632 2.473 2.991 . 0 0 "[ . 1 . 2]" 1
770 1 45 GLN HA 1 45 GLN HG2 . . 3.920 3.763 3.568 3.845 . 0 0 "[ . 1 . 2]" 1
771 1 45 GLN HA 1 45 GLN HG3 . . 3.690 3.457 2.721 3.917 0.227 6 0 "[ . 1 . 2]" 1
772 1 45 GLN HA 1 47 CYS H . . 5.260 3.914 3.882 3.959 . 0 0 "[ . 1 . 2]" 1
773 1 45 GLN HA 1 48 SER H . . 4.340 3.787 3.728 3.856 . 0 0 "[ . 1 . 2]" 1
774 1 45 GLN HB2 1 46 LYS H . . 4.490 4.186 4.103 4.302 . 0 0 "[ . 1 . 2]" 1
775 1 45 GLN HG2 1 46 LYS H . . 5.010 3.100 2.329 3.804 . 0 0 "[ . 1 . 2]" 1
776 1 45 GLN HG2 1 46 LYS HA . . 5.020 4.397 3.578 4.993 . 0 0 "[ . 1 . 2]" 1
777 1 45 GLN HG2 1 46 LYS HB2 . . 4.430 3.891 3.084 4.444 0.014 13 0 "[ . 1 . 2]" 1
778 1 45 GLN HG3 1 46 LYS H . . 4.730 3.271 2.660 4.318 . 0 0 "[ . 1 . 2]" 1
779 1 45 GLN HG3 1 46 LYS HA . . 4.440 3.613 3.376 4.154 . 0 0 "[ . 1 . 2]" 1
780 1 45 GLN HG3 1 46 LYS QG . . 5.270 4.258 3.475 5.184 . 0 0 "[ . 1 . 2]" 1
781 1 45 GLN HG3 1 49 ARG HA . . 5.220 4.498 2.806 5.192 . 0 0 "[ . 1 . 2]" 1
782 1 46 LYS H 1 46 LYS HB2 . . 3.130 2.223 2.158 2.273 . 0 0 "[ . 1 . 2]" 1
783 1 46 LYS H 1 46 LYS HB3 . . 3.270 3.111 2.994 3.269 . 0 0 "[ . 1 . 2]" 1
784 1 46 LYS H 1 46 LYS QG . . 4.740 3.835 3.718 4.021 . 0 0 "[ . 1 . 2]" 1
785 1 46 LYS H 1 47 CYS H . . 3.440 2.283 2.268 2.304 . 0 0 "[ . 1 . 2]" 1
786 1 46 LYS H 1 48 SER H . . 4.660 4.293 4.256 4.342 . 0 0 "[ . 1 . 2]" 1
787 1 46 LYS HA 1 46 LYS HB3 . . 3.060 2.898 2.829 2.942 . 0 0 "[ . 1 . 2]" 1
788 1 46 LYS HA 1 46 LYS QE . . 3.770 3.000 1.999 3.771 0.001 1 0 "[ . 1 . 2]" 1
789 1 46 LYS HA 1 46 LYS QG . . 3.490 2.321 2.038 2.515 . 0 0 "[ . 1 . 2]" 1
790 1 46 LYS HA 1 49 ARG HD2 . . 4.130 3.955 3.094 4.197 0.067 11 0 "[ . 1 . 2]" 1
791 1 46 LYS HA 1 49 ARG HD3 . . 4.330 3.984 3.242 4.338 0.008 12 0 "[ . 1 . 2]" 1
792 1 46 LYS HB2 1 46 LYS QD . . 3.760 3.082 2.377 3.484 . 0 0 "[ . 1 . 2]" 1
793 1 46 LYS HB2 1 46 LYS QE . . 4.460 3.907 3.302 4.437 . 0 0 "[ . 1 . 2]" 1
794 1 46 LYS HB2 1 47 CYS H . . 3.810 3.691 3.534 3.801 . 0 0 "[ . 1 . 2]" 1
795 1 46 LYS HB3 1 46 LYS QE . . 4.500 3.267 1.967 4.184 . 0 0 "[ . 1 . 2]" 1
796 1 46 LYS HB3 1 47 CYS H . . 4.030 3.418 3.329 3.525 . 0 0 "[ . 1 . 2]" 1
797 1 46 LYS HB3 1 47 CYS HA . . 5.340 4.080 4.052 4.092 . 0 0 "[ . 1 . 2]" 1
798 1 46 LYS QD 1 47 CYS H . . 4.660 4.613 4.489 4.730 0.070 10 0 "[ . 1 . 2]" 1
799 1 46 LYS QE 1 49 ARG HD3 . . 4.100 3.790 2.685 4.554 0.454 16 0 "[ . 1 . 2]" 1
800 1 46 LYS QG 1 47 CYS H . . 5.460 4.761 4.657 4.830 . 0 0 "[ . 1 . 2]" 1
801 1 46 LYS QG 1 49 ARG HD3 . . 5.500 4.927 3.924 5.561 0.061 20 0 "[ . 1 . 2]" 1
802 1 47 CYS H 1 47 CYS HB2 . . 3.810 2.151 2.119 2.169 . 0 0 "[ . 1 . 2]" 1
803 1 47 CYS H 1 47 CYS HB3 . . 3.580 3.224 3.186 3.288 . 0 0 "[ . 1 . 2]" 1
804 1 47 CYS H 1 48 SER H . . 3.430 2.478 2.446 2.530 . 0 0 "[ . 1 . 2]" 1
805 1 47 CYS H 1 49 ARG HG2 . . 5.500 4.813 4.629 4.987 . 0 0 "[ . 1 . 2]" 1
806 1 47 CYS HA 1 49 ARG H . . 5.500 4.995 4.920 5.038 . 0 0 "[ . 1 . 2]" 1
807 1 47 CYS HA 1 49 ARG HG2 . . 4.440 4.568 4.475 4.639 0.199 15 0 "[ . 1 . 2]" 1
808 1 47 CYS HB2 1 48 SER H . . 4.100 3.025 2.935 3.058 . 0 0 "[ . 1 . 2]" 1
809 1 47 CYS HB3 1 48 SER H . . 4.580 2.676 2.603 2.738 . 0 0 "[ . 1 . 2]" 1
810 1 47 CYS HB3 1 48 SER HA . . 5.500 3.996 3.968 4.034 . 0 0 "[ . 1 . 2]" 1
811 1 48 SER H 1 49 ARG H . . 3.500 2.240 2.177 2.309 . 0 0 "[ . 1 . 2]" 1
812 1 48 SER H 1 49 ARG QB . . 4.800 4.542 4.510 4.594 . 0 0 "[ . 1 . 2]" 1
813 1 48 SER H 1 49 ARG HG2 . . 5.200 3.939 3.783 4.049 . 0 0 "[ . 1 . 2]" 1
814 1 48 SER H 1 50 PHE H . . 5.500 4.460 4.350 4.511 . 0 0 "[ . 1 . 2]" 1
815 1 48 SER H 1 66 CYS HA . . 4.860 4.498 4.415 4.638 . 0 0 "[ . 1 . 2]" 1
816 1 48 SER HA 1 50 PHE H . . 4.630 3.915 3.779 4.018 . 0 0 "[ . 1 . 2]" 1
817 1 48 SER HA 1 50 PHE QD . . 3.720 3.723 3.653 3.780 0.060 14 0 "[ . 1 . 2]" 1
818 1 48 SER HA 1 66 CYS HA . . 2.880 2.879 2.712 3.010 0.130 10 0 "[ . 1 . 2]" 1
819 1 48 SER HA 1 66 CYS QB . . 4.450 4.009 3.921 4.089 . 0 0 "[ . 1 . 2]" 1
820 1 48 SER HA 1 67 GLN H . . 4.410 2.098 1.962 2.269 . 0 0 "[ . 1 . 2]" 1
821 1 48 SER QB 1 49 ARG HA . . 4.770 4.311 4.095 4.684 . 0 0 "[ . 1 . 2]" 1
822 1 48 SER QB 1 50 PHE QD . . 5.500 4.292 3.802 4.852 . 0 0 "[ . 1 . 2]" 1
823 1 48 SER QB 1 66 CYS HA . . 4.160 1.894 1.769 1.982 . 0 0 "[ . 1 . 2]" 1
824 1 48 SER QB 1 66 CYS QB . . 4.510 3.601 3.219 3.752 . 0 0 "[ . 1 . 2]" 1
825 1 49 ARG H 1 49 ARG HD2 . . 5.190 5.029 4.650 5.223 0.033 1 0 "[ . 1 . 2]" 1
826 1 49 ARG H 1 49 ARG HD3 . . 4.780 4.862 4.630 4.990 0.210 13 0 "[ . 1 . 2]" 1
827 1 49 ARG H 1 49 ARG HG2 . . 4.190 3.008 2.908 3.068 . 0 0 "[ . 1 . 2]" 1
828 1 49 ARG H 1 49 ARG HG3 . . 4.560 4.080 3.953 4.130 . 0 0 "[ . 1 . 2]" 1
829 1 49 ARG H 1 50 PHE H . . 4.950 2.919 2.875 2.936 . 0 0 "[ . 1 . 2]" 1
830 1 49 ARG H 1 66 CYS HA . . 5.500 5.562 5.497 5.649 0.149 11 0 "[ . 1 . 2]" 1
831 1 49 ARG HA 1 49 ARG QB . . 2.750 2.174 2.169 2.177 . 0 0 "[ . 1 . 2]" 1
832 1 49 ARG HA 1 49 ARG HG2 . . 3.990 3.640 3.598 3.669 . 0 0 "[ . 1 . 2]" 1
833 1 49 ARG HA 1 50 PHE H . . 3.670 2.954 2.921 3.034 . 0 0 "[ . 1 . 2]" 1
834 1 49 ARG HA 1 50 PHE QD . . 5.150 5.106 4.992 5.142 . 0 0 "[ . 1 . 2]" 1
835 1 49 ARG QB 1 49 ARG HD3 . . 3.790 2.908 2.597 3.192 . 0 0 "[ . 1 . 2]" 1
836 1 49 ARG QB 1 50 PHE H . . 5.110 4.004 3.968 4.013 . 0 0 "[ . 1 . 2]" 1
837 1 49 ARG HG2 1 50 PHE H . . 5.500 4.190 4.147 4.264 . 0 0 "[ . 1 . 2]" 1
838 1 49 ARG HG2 1 50 PHE QD . . 4.770 4.389 4.284 4.538 . 0 0 "[ . 1 . 2]" 1
839 1 49 ARG HG2 1 50 PHE QE . . 4.310 4.425 4.355 4.539 0.229 10 0 "[ . 1 . 2]" 1
840 1 49 ARG HG2 1 50 PHE HZ . . 5.200 5.246 5.123 5.291 0.091 13 0 "[ . 1 . 2]" 1
841 1 49 ARG HG3 1 50 PHE H . . 5.500 4.137 3.948 4.271 . 0 0 "[ . 1 . 2]" 1
842 1 49 ARG HG3 1 50 PHE HA . . 5.390 4.687 4.617 4.797 . 0 0 "[ . 1 . 2]" 1
843 1 49 ARG HG3 1 50 PHE QD . . 5.160 3.627 3.458 3.757 . 0 0 "[ . 1 . 2]" 1
844 1 49 ARG HG3 1 50 PHE QE . . 4.770 3.415 3.222 3.510 . 0 0 "[ . 1 . 2]" 1
845 1 50 PHE H 1 50 PHE HB2 . . 3.940 2.757 2.730 2.805 . 0 0 "[ . 1 . 2]" 1
846 1 50 PHE H 1 50 PHE QD . . 3.950 3.845 3.761 3.869 . 0 0 "[ . 1 . 2]" 1
847 1 50 PHE H 1 51 GLN H . . 5.380 4.418 4.411 4.424 . 0 0 "[ . 1 . 2]" 1
848 1 50 PHE H 1 65 VAL H . . 5.370 5.002 4.783 5.177 . 0 0 "[ . 1 . 2]" 1
849 1 50 PHE H 1 65 VAL MG2 . . 5.500 4.748 4.473 5.083 . 0 0 "[ . 1 . 2]" 1
850 1 50 PHE H 1 67 GLN QB . . 5.500 5.446 5.138 5.595 0.095 11 0 "[ . 1 . 2]" 1
851 1 50 PHE HA 1 50 PHE QD . . 3.430 2.057 2.018 2.155 . 0 0 "[ . 1 . 2]" 1
852 1 50 PHE HA 1 51 GLN H . . 3.220 2.499 2.471 2.523 . 0 0 "[ . 1 . 2]" 1
853 1 50 PHE HA 1 65 VAL MG2 . . 5.390 5.002 4.818 5.181 . 0 0 "[ . 1 . 2]" 1
854 1 50 PHE HA 1 70 TYR QE . . 5.060 4.821 4.700 5.002 . 0 0 "[ . 1 . 2]" 1
855 1 50 PHE HB2 1 50 PHE QD . . 3.200 2.283 2.272 2.290 . 0 0 "[ . 1 . 2]" 1
856 1 50 PHE HB2 1 50 PHE QE . . 4.590 4.374 4.371 4.376 . 0 0 "[ . 1 . 2]" 1
857 1 50 PHE HB2 1 51 GLN H . . 4.530 3.489 3.449 3.529 . 0 0 "[ . 1 . 2]" 1
858 1 50 PHE HB2 1 65 VAL MG2 . . 3.620 3.192 2.961 3.475 . 0 0 "[ . 1 . 2]" 1
859 1 50 PHE HB2 1 70 TYR QD . . 4.010 3.656 3.540 3.793 . 0 0 "[ . 1 . 2]" 1
860 1 50 PHE HB2 1 70 TYR QE . . 4.670 4.749 4.682 4.820 0.150 9 0 "[ . 1 . 2]" 1
861 1 50 PHE HB3 1 50 PHE QD . . 3.310 2.717 2.695 2.727 . 0 0 "[ . 1 . 2]" 1
862 1 50 PHE HB3 1 51 GLN H . . 3.970 2.225 2.174 2.300 . 0 0 "[ . 1 . 2]" 1
863 1 50 PHE HB3 1 65 VAL MG2 . . 4.320 3.445 3.223 3.739 . 0 0 "[ . 1 . 2]" 1
864 1 50 PHE HB3 1 70 TYR QD . . 3.450 2.869 2.729 3.067 . 0 0 "[ . 1 . 2]" 1
865 1 50 PHE HB3 1 70 TYR QE . . 4.190 3.352 3.272 3.408 . 0 0 "[ . 1 . 2]" 1
866 1 50 PHE QD 1 51 GLN H . . 4.940 3.608 3.560 3.780 . 0 0 "[ . 1 . 2]" 1
867 1 50 PHE QD 1 65 VAL MG2 . . 4.320 4.277 4.115 4.521 0.201 14 0 "[ . 1 . 2]" 1
868 1 50 PHE QD 1 67 GLN H . . 4.520 3.957 3.650 4.187 . 0 0 "[ . 1 . 2]" 1
869 1 50 PHE QD 1 67 GLN HA . . 3.920 2.099 1.931 2.307 . 0 0 "[ . 1 . 2]" 1
870 1 50 PHE QD 1 67 GLN QB . . 4.700 2.872 2.696 3.108 . 0 0 "[ . 1 . 2]" 1
871 1 50 PHE QD 1 70 TYR H . . 5.500 4.727 4.521 5.045 . 0 0 "[ . 1 . 2]" 1
872 1 50 PHE QD 1 70 TYR HB2 . . 4.910 3.502 3.282 3.867 . 0 0 "[ . 1 . 2]" 1
873 1 50 PHE QE 1 67 GLN HA . . 3.210 3.267 2.882 3.421 0.211 6 0 "[ . 1 . 2]" 1
874 1 50 PHE QE 1 67 GLN QB . . 3.480 2.803 1.975 3.072 . 0 0 "[ . 1 . 2]" 1
875 1 50 PHE QE 1 67 GLN HG2 . . 4.640 4.064 3.892 4.304 . 0 0 "[ . 1 . 2]" 1
876 1 50 PHE QE 1 67 GLN HG3 . . 4.110 2.437 2.166 4.203 0.093 9 0 "[ . 1 . 2]" 1
877 1 50 PHE QE 1 70 TYR QE . . 4.510 4.444 4.171 4.584 0.074 10 0 "[ . 1 . 2]" 1
878 1 51 GLN H 1 51 GLN QB . . 3.880 2.817 2.770 3.036 . 0 0 "[ . 1 . 2]" 1
879 1 51 GLN H 1 51 GLN QG . . 4.530 3.783 3.055 3.998 . 0 0 "[ . 1 . 2]" 1
880 1 51 GLN H 1 52 SER H . . 5.220 4.106 4.091 4.144 . 0 0 "[ . 1 . 2]" 1
881 1 51 GLN H 1 65 VAL MG2 . . 4.650 3.793 3.567 4.006 . 0 0 "[ . 1 . 2]" 1
882 1 51 GLN H 1 70 TYR QD . . 4.850 3.463 3.187 3.710 . 0 0 "[ . 1 . 2]" 1
883 1 51 GLN H 1 70 TYR QE . . 4.710 3.044 2.889 3.220 . 0 0 "[ . 1 . 2]" 1
884 1 51 GLN HA 1 51 GLN QG . . 3.780 2.258 2.018 3.223 . 0 0 "[ . 1 . 2]" 1
885 1 51 GLN HA 1 52 SER H . . 3.120 2.156 2.152 2.176 . 0 0 "[ . 1 . 2]" 1
886 1 51 GLN HA 1 52 SER HA . . 4.500 4.427 4.422 4.446 . 0 0 "[ . 1 . 2]" 1
887 1 51 GLN HA 1 52 SER HB2 . . 4.910 4.351 4.091 5.619 0.709 6 1 "[ .+ 1 . 2]" 1
888 1 51 GLN HA 1 52 SER HB3 . . 5.280 5.016 4.521 5.326 0.046 19 0 "[ . 1 . 2]" 1
889 1 51 GLN HA 1 64 ARG HA . . 3.500 3.213 2.576 3.558 0.058 11 0 "[ . 1 . 2]" 1
890 1 51 GLN HA 1 65 VAL H . . 3.800 3.197 2.296 3.663 . 0 0 "[ . 1 . 2]" 1
891 1 51 GLN HA 1 65 VAL MG1 . . 4.640 4.119 3.730 4.408 . 0 0 "[ . 1 . 2]" 1
892 1 51 GLN HA 1 65 VAL MG2 . . 3.790 2.686 2.263 3.128 . 0 0 "[ . 1 . 2]" 1
893 1 51 GLN HA 1 70 TYR QD . . 5.500 4.161 3.835 4.399 . 0 0 "[ . 1 . 2]" 1
894 1 51 GLN HA 1 70 TYR QE . . 5.260 4.737 4.614 4.857 . 0 0 "[ . 1 . 2]" 1
895 1 51 GLN QB 1 52 SER H . . 4.140 3.301 3.220 3.401 . 0 0 "[ . 1 . 2]" 1
896 1 51 GLN QB 1 63 VAL H . . 5.260 5.088 4.867 5.203 . 0 0 "[ . 1 . 2]" 1
897 1 51 GLN QB 1 65 VAL MG2 . . 4.950 4.445 3.917 4.773 . 0 0 "[ . 1 . 2]" 1
898 1 51 GLN QG 1 64 ARG H . . 5.500 4.741 4.154 5.548 0.048 14 0 "[ . 1 . 2]" 1
899 1 51 GLN QG 1 64 ARG HA . . 5.100 2.955 2.514 4.287 . 0 0 "[ . 1 . 2]" 1
900 1 51 GLN QG 1 65 VAL MG2 . . 5.500 4.165 3.842 4.770 . 0 0 "[ . 1 . 2]" 1
901 1 52 SER H 1 53 GLU H . . 5.500 4.357 4.340 4.362 . 0 0 "[ . 1 . 2]" 1
902 1 52 SER H 1 62 PRO HA . . 4.530 4.278 3.976 4.567 0.037 14 0 "[ . 1 . 2]" 1
903 1 52 SER H 1 62 PRO HB2 . . 4.950 4.753 4.257 5.066 0.116 6 0 "[ . 1 . 2]" 1
904 1 52 SER H 1 63 VAL H . . 3.570 3.214 3.081 3.336 . 0 0 "[ . 1 . 2]" 1
905 1 52 SER H 1 64 ARG H . . 5.160 5.180 4.816 5.323 0.163 19 0 "[ . 1 . 2]" 1
906 1 52 SER H 1 64 ARG HA . . 4.790 3.868 3.420 4.218 . 0 0 "[ . 1 . 2]" 1
907 1 52 SER H 1 65 VAL MG1 . . 3.790 3.042 2.666 3.277 . 0 0 "[ . 1 . 2]" 1
908 1 52 SER H 1 65 VAL MG2 . . 4.010 2.533 2.240 2.898 . 0 0 "[ . 1 . 2]" 1
909 1 52 SER H 1 73 LEU QD . . 4.850 4.445 3.999 4.779 . 0 0 "[ . 1 . 2]" 1
910 1 52 SER HA 1 52 SER HB2 . . 3.090 2.693 2.439 2.848 . 0 0 "[ . 1 . 2]" 1
911 1 52 SER HA 1 53 GLU H . . 3.540 2.502 2.441 2.546 . 0 0 "[ . 1 . 2]" 1
912 1 52 SER HA 1 53 GLU QG . . 5.120 4.225 4.050 4.450 . 0 0 "[ . 1 . 2]" 1
913 1 52 SER HA 1 62 PRO HB2 . . 4.460 3.740 3.398 4.181 . 0 0 "[ . 1 . 2]" 1
914 1 52 SER HA 1 62 PRO HB3 . . 4.820 3.186 2.721 3.634 . 0 0 "[ . 1 . 2]" 1
915 1 52 SER HA 1 65 VAL MG1 . . 4.790 4.840 4.519 4.916 0.126 12 0 "[ . 1 . 2]" 1
916 1 52 SER HA 1 65 VAL MG2 . . 4.470 4.459 4.264 4.580 0.110 17 0 "[ . 1 . 2]" 1
917 1 52 SER HA 1 70 TYR QD . . 4.840 4.895 4.799 4.984 0.144 2 0 "[ . 1 . 2]" 1
918 1 52 SER HA 1 70 TYR QE . . 4.190 4.224 4.130 4.296 0.106 10 0 "[ . 1 . 2]" 1
919 1 52 SER HB2 1 53 GLU H . . 5.070 3.736 2.340 3.918 . 0 0 "[ . 1 . 2]" 1
920 1 52 SER HB2 1 53 GLU QG . . 5.070 4.938 3.336 5.171 0.101 19 0 "[ . 1 . 2]" 1
921 1 52 SER HB2 1 65 VAL MG1 . . 5.020 4.546 4.222 5.034 0.014 10 0 "[ . 1 . 2]" 1
922 1 52 SER HB2 1 65 VAL MG2 . . 3.770 3.323 2.825 3.913 0.143 6 0 "[ . 1 . 2]" 1
923 1 52 SER HB2 1 70 TYR QD . . 3.280 2.619 2.165 4.106 0.826 6 1 "[ .+ 1 . 2]" 1
924 1 52 SER HB2 1 70 TYR QE . . 3.510 2.118 1.960 3.866 0.356 6 0 "[ . 1 . 2]" 1
925 1 52 SER HB3 1 53 GLU H . . 5.250 2.917 2.505 3.555 . 0 0 "[ . 1 . 2]" 1
926 1 52 SER HB3 1 54 ILE QG . . 5.500 4.838 4.587 6.208 0.708 6 1 "[ .+ 1 . 2]" 1
927 1 52 SER HB3 1 62 PRO HA . . 5.500 5.021 4.654 5.596 0.096 9 0 "[ . 1 . 2]" 1
928 1 52 SER HB3 1 65 VAL MG1 . . 4.110 3.920 3.579 4.786 0.676 6 1 "[ .+ 1 . 2]" 1
929 1 52 SER HB3 1 65 VAL MG2 . . 3.940 3.140 2.540 3.827 . 0 0 "[ . 1 . 2]" 1
930 1 52 SER HB3 1 70 TYR QD . . 4.080 3.104 2.423 3.621 . 0 0 "[ . 1 . 2]" 1
931 1 52 SER HB3 1 70 TYR QE . . 4.270 3.315 2.305 3.791 . 0 0 "[ . 1 . 2]" 1
932 1 52 SER HB3 1 73 LEU QD . . 3.300 2.837 2.391 4.172 0.872 6 1 "[ .+ 1 . 2]" 1
933 1 53 GLU H 1 53 GLU QB . . 3.720 2.701 2.457 2.775 . 0 0 "[ . 1 . 2]" 1
934 1 53 GLU H 1 53 GLU QG . . 3.700 1.941 1.842 2.190 . 0 0 "[ . 1 . 2]" 1
935 1 53 GLU H 1 54 ILE H . . 4.970 4.542 4.488 4.598 . 0 0 "[ . 1 . 2]" 1
936 1 53 GLU H 1 62 PRO HA . . 5.500 2.868 2.530 3.130 . 0 0 "[ . 1 . 2]" 1
937 1 53 GLU H 1 62 PRO HB2 . . 5.350 4.994 4.512 5.382 0.032 15 0 "[ . 1 . 2]" 1
938 1 53 GLU H 1 63 VAL H . . 5.370 3.816 3.487 3.943 . 0 0 "[ . 1 . 2]" 1
939 1 53 GLU HA 1 53 GLU QG . . 3.460 3.387 3.339 3.455 . 0 0 "[ . 1 . 2]" 1
940 1 53 GLU HA 1 54 ILE H . . 2.960 2.558 2.468 2.649 . 0 0 "[ . 1 . 2]" 1
941 1 53 GLU HA 1 54 ILE MD . . 5.500 4.289 3.812 4.452 . 0 0 "[ . 1 . 2]" 1
942 1 53 GLU HA 1 54 ILE QG . . 4.680 3.206 3.026 3.369 . 0 0 "[ . 1 . 2]" 1
943 1 53 GLU HA 1 55 LYS H . . 5.500 5.467 5.274 5.555 0.055 12 0 "[ . 1 . 2]" 1
944 1 53 GLU HA 1 59 ILE HB . . 5.160 4.171 4.027 4.368 . 0 0 "[ . 1 . 2]" 1
945 1 53 GLU HA 1 59 ILE MG . . 4.150 3.050 2.705 3.484 . 0 0 "[ . 1 . 2]" 1
946 1 53 GLU HA 1 61 SER H . . 4.940 5.017 4.981 5.042 0.102 8 0 "[ . 1 . 2]" 1
947 1 53 GLU HA 1 62 PRO HA . . 3.570 2.622 2.352 2.933 . 0 0 "[ . 1 . 2]" 1
948 1 53 GLU HA 1 63 VAL H . . 4.070 2.451 2.327 2.605 . 0 0 "[ . 1 . 2]" 1
949 1 53 GLU HA 1 63 VAL MG2 . . 3.220 2.378 2.011 2.691 . 0 0 "[ . 1 . 2]" 1
950 1 53 GLU QB 1 54 ILE H . . 3.290 2.094 1.934 2.299 . 0 0 "[ . 1 . 2]" 1
951 1 53 GLU QB 1 55 LYS QE . . 4.190 3.832 3.006 4.212 0.022 3 0 "[ . 1 . 2]" 1
952 1 53 GLU QB 1 59 ILE HB . . 4.800 3.578 3.450 3.807 . 0 0 "[ . 1 . 2]" 1
953 1 53 GLU QB 1 60 SER HA . . 3.390 2.889 2.684 3.080 . 0 0 "[ . 1 . 2]" 1
954 1 53 GLU QB 1 60 SER QB . . 4.870 4.306 4.195 4.396 . 0 0 "[ . 1 . 2]" 1
955 1 53 GLU QB 1 62 PRO HD3 . . 4.110 3.753 3.454 4.053 . 0 0 "[ . 1 . 2]" 1
956 1 53 GLU QG 1 54 ILE H . . 4.020 3.673 3.373 3.901 . 0 0 "[ . 1 . 2]" 1
957 1 53 GLU QG 1 54 ILE HA . . 5.500 4.351 3.935 4.718 . 0 0 "[ . 1 . 2]" 1
958 1 53 GLU QG 1 55 LYS H . . 4.900 3.897 3.183 4.363 . 0 0 "[ . 1 . 2]" 1
959 1 53 GLU QG 1 55 LYS QE . . 4.480 3.504 1.956 4.490 0.010 17 0 "[ . 1 . 2]" 1
960 1 53 GLU QG 1 60 SER HA . . 3.500 3.275 2.993 3.546 0.046 6 0 "[ . 1 . 2]" 1
961 1 53 GLU QG 1 60 SER QB . . 5.150 4.596 4.264 4.857 . 0 0 "[ . 1 . 2]" 1
962 1 53 GLU QG 1 62 PRO HA . . 3.910 3.970 3.917 4.030 0.120 10 0 "[ . 1 . 2]" 1
963 1 53 GLU QG 1 62 PRO HD3 . . 4.890 5.008 4.773 5.164 0.274 4 0 "[ . 1 . 2]" 1
964 1 54 ILE H 1 54 ILE HB . . 3.750 2.809 2.729 2.918 . 0 0 "[ . 1 . 2]" 1
965 1 54 ILE H 1 54 ILE MD . . 4.910 3.917 3.365 4.187 . 0 0 "[ . 1 . 2]" 1
966 1 54 ILE H 1 54 ILE QG . . 4.120 2.879 2.721 2.981 . 0 0 "[ . 1 . 2]" 1
967 1 54 ILE H 1 55 LYS H . . 4.570 3.560 3.490 3.654 . 0 0 "[ . 1 . 2]" 1
968 1 54 ILE H 1 55 LYS HA . . 4.390 4.411 4.336 4.471 0.081 8 0 "[ . 1 . 2]" 1
969 1 54 ILE H 1 57 LEU H . . 5.400 5.043 4.932 5.192 . 0 0 "[ . 1 . 2]" 1
970 1 54 ILE H 1 59 ILE H . . 4.410 4.009 3.867 4.138 . 0 0 "[ . 1 . 2]" 1
971 1 54 ILE H 1 59 ILE HA . . 4.440 4.505 4.452 4.565 0.125 9 0 "[ . 1 . 2]" 1
972 1 54 ILE H 1 59 ILE HB . . 3.490 2.079 1.953 2.209 . 0 0 "[ . 1 . 2]" 1
973 1 54 ILE H 1 59 ILE MD . . 4.070 3.605 3.379 3.815 . 0 0 "[ . 1 . 2]" 1
974 1 54 ILE H 1 59 ILE HG12 . . 5.110 5.015 4.852 5.139 0.029 10 0 "[ . 1 . 2]" 1
975 1 54 ILE H 1 59 ILE MG . . 3.790 2.556 2.306 2.979 . 0 0 "[ . 1 . 2]" 1
976 1 54 ILE H 1 60 SER HA . . 5.050 4.368 4.075 4.667 . 0 0 "[ . 1 . 2]" 1
977 1 54 ILE H 1 61 SER H . . 5.500 4.767 4.637 4.901 . 0 0 "[ . 1 . 2]" 1
978 1 54 ILE H 1 63 VAL H . . 5.380 4.855 4.626 5.153 . 0 0 "[ . 1 . 2]" 1
979 1 54 ILE H 1 63 VAL MG2 . . 4.620 3.439 3.203 3.605 . 0 0 "[ . 1 . 2]" 1
980 1 54 ILE H 1 73 LEU QD . . 5.500 3.989 3.888 4.091 . 0 0 "[ . 1 . 2]" 1
981 1 54 ILE HA 1 54 ILE MD . . 3.960 3.892 3.859 3.930 . 0 0 "[ . 1 . 2]" 1
982 1 54 ILE HA 1 54 ILE QG . . 3.770 2.483 2.447 2.544 . 0 0 "[ . 1 . 2]" 1
983 1 54 ILE HA 1 54 ILE MG . . 3.480 2.335 2.202 2.397 . 0 0 "[ . 1 . 2]" 1
984 1 54 ILE HA 1 55 LYS H . . 3.210 2.311 2.283 2.360 . 0 0 "[ . 1 . 2]" 1
985 1 54 ILE HA 1 55 LYS HA . . 4.790 4.543 4.520 4.574 . 0 0 "[ . 1 . 2]" 1
986 1 54 ILE HA 1 55 LYS QB . . 4.770 4.173 4.141 4.268 . 0 0 "[ . 1 . 2]" 1
987 1 54 ILE HA 1 56 ARG H . . 4.500 3.371 3.211 3.514 . 0 0 "[ . 1 . 2]" 1
988 1 54 ILE HA 1 57 LEU H . . 5.300 4.214 4.104 4.309 . 0 0 "[ . 1 . 2]" 1
989 1 54 ILE HA 1 59 ILE H . . 5.370 5.008 4.958 5.057 . 0 0 "[ . 1 . 2]" 1
990 1 54 ILE HA 1 59 ILE HB . . 5.340 4.099 3.922 4.227 . 0 0 "[ . 1 . 2]" 1
991 1 54 ILE HA 1 59 ILE MD . . 5.000 4.825 4.673 4.991 . 0 0 "[ . 1 . 2]" 1
992 1 54 ILE HA 1 59 ILE MG . . 5.310 4.927 4.722 5.243 . 0 0 "[ . 1 . 2]" 1
993 1 54 ILE HA 1 73 LEU QD . . 2.850 1.963 1.859 2.150 . 0 0 "[ . 1 . 2]" 1
994 1 54 ILE HA 1 73 LEU HG . . 4.660 4.564 4.349 4.714 0.054 6 0 "[ . 1 . 2]" 1
995 1 54 ILE HB 1 54 ILE MD . . 3.300 2.246 2.112 2.354 . 0 0 "[ . 1 . 2]" 1
996 1 54 ILE HB 1 57 LEU QD . . 4.840 3.623 3.386 3.807 . 0 0 "[ . 1 . 2]" 1
997 1 54 ILE HB 1 59 ILE H . . 3.930 3.819 3.639 3.962 0.032 19 0 "[ . 1 . 2]" 1
998 1 54 ILE HB 1 59 ILE HB . . 3.840 2.303 2.100 2.496 . 0 0 "[ . 1 . 2]" 1
999 1 54 ILE HB 1 59 ILE MD . . 3.800 2.255 2.090 2.524 . 0 0 "[ . 1 . 2]" 1
1000 1 54 ILE MD 1 54 ILE MG . . 3.310 2.217 1.991 2.581 . 0 0 "[ . 1 . 2]" 1
1001 1 54 ILE MD 1 57 LEU H . . 5.340 4.842 4.588 5.121 . 0 0 "[ . 1 . 2]" 1
1002 1 54 ILE MD 1 57 LEU QD . . 4.570 3.206 2.871 3.580 . 0 0 "[ . 1 . 2]" 1
1003 1 54 ILE MD 1 59 ILE H . . 5.390 5.409 5.254 5.545 0.155 12 0 "[ . 1 . 2]" 1
1004 1 54 ILE MD 1 59 ILE HB . . 5.320 3.777 3.394 4.029 . 0 0 "[ . 1 . 2]" 1
1005 1 54 ILE MD 1 59 ILE MD . . 4.250 2.306 1.923 2.561 . 0 0 "[ . 1 . 2]" 1
1006 1 54 ILE MD 1 65 VAL H . . 5.500 5.230 5.114 5.468 . 0 0 "[ . 1 . 2]" 1
1007 1 54 ILE MD 1 65 VAL HA . . 4.990 3.705 3.506 3.924 . 0 0 "[ . 1 . 2]" 1
1008 1 54 ILE QG 1 55 LYS H . . 5.500 4.440 4.404 4.479 . 0 0 "[ . 1 . 2]" 1
1009 1 54 ILE QG 1 59 ILE MG . . 4.070 3.777 3.488 3.966 . 0 0 "[ . 1 . 2]" 1
1010 1 54 ILE QG 1 65 VAL HA . . 5.420 4.706 4.515 4.830 . 0 0 "[ . 1 . 2]" 1
1011 1 54 ILE QG 1 65 VAL HB . . 4.310 3.827 3.587 4.067 . 0 0 "[ . 1 . 2]" 1
1012 1 54 ILE QG 1 65 VAL MG2 . . 5.160 3.891 3.736 4.099 . 0 0 "[ . 1 . 2]" 1
1013 1 54 ILE QG 1 73 LEU QD . . 3.760 1.958 1.856 2.176 . 0 0 "[ . 1 . 2]" 1
1014 1 54 ILE MG 1 55 LYS H . . 4.510 3.563 3.474 3.641 . 0 0 "[ . 1 . 2]" 1
1015 1 54 ILE MG 1 55 LYS HA . . 4.710 4.444 4.293 4.632 . 0 0 "[ . 1 . 2]" 1
1016 1 54 ILE MG 1 56 ARG H . . 4.380 2.670 2.397 2.819 . 0 0 "[ . 1 . 2]" 1
1017 1 54 ILE MG 1 56 ARG HB3 . . 4.330 2.614 2.168 3.582 . 0 0 "[ . 1 . 2]" 1
1018 1 54 ILE MG 1 56 ARG QD . . 4.640 3.581 2.145 4.331 . 0 0 "[ . 1 . 2]" 1
1019 1 54 ILE MG 1 57 LEU H . . 3.480 1.946 1.897 2.211 . 0 0 "[ . 1 . 2]" 1
1020 1 54 ILE MG 1 57 LEU HB2 . . 3.090 1.952 1.868 2.042 . 0 0 "[ . 1 . 2]" 1
1021 1 54 ILE MG 1 58 LYS H . . 4.740 4.106 4.006 4.310 . 0 0 "[ . 1 . 2]" 1
1022 1 55 LYS H 1 55 LYS QB . . 3.240 2.105 2.043 2.276 . 0 0 "[ . 1 . 2]" 1
1023 1 55 LYS H 1 55 LYS QD . . 4.300 4.034 3.512 4.335 0.035 3 0 "[ . 1 . 2]" 1
1024 1 55 LYS H 1 55 LYS HG3 . . 4.310 4.110 3.614 4.421 0.111 8 0 "[ . 1 . 2]" 1
1025 1 55 LYS H 1 56 ARG H . . 4.730 2.693 2.603 2.782 . 0 0 "[ . 1 . 2]" 1
1026 1 55 LYS H 1 56 ARG HB3 . . 5.500 5.026 4.588 5.477 . 0 0 "[ . 1 . 2]" 1
1027 1 55 LYS H 1 60 SER HA . . 5.030 5.037 4.830 5.113 0.083 20 0 "[ . 1 . 2]" 1
1028 1 55 LYS HA 1 55 LYS QB . . 2.610 2.510 2.462 2.537 . 0 0 "[ . 1 . 2]" 1
1029 1 55 LYS HA 1 55 LYS QD . . 3.810 2.898 1.984 3.795 . 0 0 "[ . 1 . 2]" 1
1030 1 55 LYS HA 1 55 LYS QE . . 3.980 2.577 2.112 3.176 . 0 0 "[ . 1 . 2]" 1
1031 1 55 LYS HA 1 57 LEU H . . 4.100 3.683 3.548 3.840 . 0 0 "[ . 1 . 2]" 1
1032 1 55 LYS HA 1 58 LYS H . . 3.900 3.318 3.226 3.425 . 0 0 "[ . 1 . 2]" 1
1033 1 55 LYS HA 1 58 LYS HA . . 4.470 3.616 3.466 3.753 . 0 0 "[ . 1 . 2]" 1
1034 1 55 LYS HA 1 59 ILE H . . 3.890 2.777 2.460 2.953 . 0 0 "[ . 1 . 2]" 1
1035 1 55 LYS QB 1 55 LYS QD . . 3.480 2.185 1.968 2.781 . 0 0 "[ . 1 . 2]" 1
1036 1 55 LYS QB 1 55 LYS QE . . 4.200 3.029 2.091 3.608 . 0 0 "[ . 1 . 2]" 1
1037 1 55 LYS QB 1 56 ARG H . . 4.190 2.846 2.678 3.039 . 0 0 "[ . 1 . 2]" 1
1038 1 55 LYS QD 1 55 LYS HG3 . . 2.720 2.315 2.143 2.506 . 0 0 "[ . 1 . 2]" 1
1039 1 55 LYS QE 1 55 LYS HG2 . . 3.840 2.686 1.966 3.474 . 0 0 "[ . 1 . 2]" 1
1040 1 55 LYS QE 1 55 LYS HG3 . . 3.690 2.625 2.022 3.305 . 0 0 "[ . 1 . 2]" 1
1041 1 55 LYS QE 1 59 ILE MG . . 5.120 4.955 4.651 5.118 . 0 0 "[ . 1 . 2]" 1
1042 1 55 LYS HG3 1 60 SER HA . . 5.500 4.811 3.967 5.299 . 0 0 "[ . 1 . 2]" 1
1043 1 56 ARG H 1 56 ARG QD . . 5.350 4.253 3.498 4.478 . 0 0 "[ . 1 . 2]" 1
1044 1 56 ARG H 1 56 ARG QG . . 4.640 3.752 2.561 3.976 . 0 0 "[ . 1 . 2]" 1
1045 1 56 ARG H 1 57 LEU H . . 4.350 2.646 2.564 2.697 . 0 0 "[ . 1 . 2]" 1
1046 1 56 ARG HA 1 56 ARG HB2 . . 2.940 2.483 2.276 2.670 . 0 0 "[ . 1 . 2]" 1
1047 1 56 ARG HA 1 56 ARG HB3 . . 2.940 2.942 2.527 3.023 0.083 2 0 "[ . 1 . 2]" 1
1048 1 56 ARG HA 1 56 ARG QG . . 3.310 2.528 2.114 3.344 0.034 8 0 "[ . 1 . 2]" 1
1049 1 56 ARG HB2 1 56 ARG QD . . 3.790 2.470 2.005 3.188 . 0 0 "[ . 1 . 2]" 1
1050 1 56 ARG HB2 1 57 LEU H . . 5.180 4.071 3.809 4.299 . 0 0 "[ . 1 . 2]" 1
1051 1 56 ARG HB3 1 56 ARG QD . . 3.910 2.448 2.041 2.957 . 0 0 "[ . 1 . 2]" 1
1052 1 56 ARG HB3 1 57 LEU H . . 4.350 3.219 2.905 4.083 . 0 0 "[ . 1 . 2]" 1
1053 1 56 ARG HB3 1 57 LEU QD . . 4.920 2.853 2.145 4.427 . 0 0 "[ . 1 . 2]" 1
1054 1 56 ARG QD 1 57 LEU QD . . 4.720 3.152 2.048 4.169 . 0 0 "[ . 1 . 2]" 1
1055 1 56 ARG QD 1 73 LEU QD . . 4.240 3.810 2.235 4.091 . 0 0 "[ . 1 . 2]" 1
1056 1 56 ARG QG 1 57 LEU H . . 4.450 3.815 2.413 4.401 . 0 0 "[ . 1 . 2]" 1
1057 1 56 ARG QG 1 57 LEU QD . . 3.780 2.583 1.802 3.095 . 0 0 "[ . 1 . 2]" 1
1058 1 57 LEU H 1 57 LEU HB2 . . 3.240 2.361 2.297 2.445 . 0 0 "[ . 1 . 2]" 1
1059 1 57 LEU H 1 57 LEU HB3 . . 3.910 3.499 3.212 3.630 . 0 0 "[ . 1 . 2]" 1
1060 1 57 LEU H 1 57 LEU QD . . 3.890 2.863 2.542 3.566 . 0 0 "[ . 1 . 2]" 1
1061 1 57 LEU H 1 58 LYS H . . 3.120 2.392 2.299 2.462 . 0 0 "[ . 1 . 2]" 1
1062 1 57 LEU H 1 58 LYS HA . . 4.470 4.510 4.421 4.582 0.112 18 0 "[ . 1 . 2]" 1
1063 1 57 LEU H 1 58 LYS QG . . 5.170 4.594 4.461 5.261 0.091 10 0 "[ . 1 . 2]" 1
1064 1 57 LEU H 1 59 ILE H . . 4.180 2.990 2.898 3.077 . 0 0 "[ . 1 . 2]" 1
1065 1 57 LEU HA 1 57 LEU QD . . 2.700 2.028 1.890 2.462 . 0 0 "[ . 1 . 2]" 1
1066 1 57 LEU HA 1 58 LYS H . . 3.830 3.071 3.059 3.083 . 0 0 "[ . 1 . 2]" 1
1067 1 57 LEU HA 1 58 LYS HA . . 5.190 4.948 4.933 4.966 . 0 0 "[ . 1 . 2]" 1
1068 1 57 LEU HA 1 58 LYS HB2 . . 5.430 4.605 4.521 5.492 0.062 10 0 "[ . 1 . 2]" 1
1069 1 57 LEU HA 1 58 LYS QG . . 4.620 3.291 3.041 4.672 0.052 10 0 "[ . 1 . 2]" 1
1070 1 57 LEU HA 1 59 ILE H . . 5.320 4.536 4.461 4.664 . 0 0 "[ . 1 . 2]" 1
1071 1 57 LEU HA 1 59 ILE HG13 . . 4.530 4.384 4.226 4.485 . 0 0 "[ . 1 . 2]" 1
1072 1 57 LEU HB2 1 58 LYS H . . 4.020 3.977 3.915 4.150 0.130 17 0 "[ . 1 . 2]" 1
1073 1 57 LEU HB2 1 59 ILE H . . 4.000 3.726 3.564 4.175 0.175 17 0 "[ . 1 . 2]" 1
1074 1 57 LEU HB2 1 59 ILE HB . . 4.870 3.865 3.635 4.354 . 0 0 "[ . 1 . 2]" 1
1075 1 57 LEU HB2 1 59 ILE MD . . 3.600 2.781 2.280 3.165 . 0 0 "[ . 1 . 2]" 1
1076 1 57 LEU HB2 1 59 ILE HG13 . . 4.500 2.879 2.506 3.430 . 0 0 "[ . 1 . 2]" 1
1077 1 57 LEU HB2 1 59 ILE MG . . 5.500 4.933 4.762 5.353 . 0 0 "[ . 1 . 2]" 1
1078 1 57 LEU HB3 1 57 LEU QD . . 3.240 2.245 2.103 2.363 . 0 0 "[ . 1 . 2]" 1
1079 1 57 LEU QD 1 58 LYS H . . 4.620 4.082 3.947 4.371 . 0 0 "[ . 1 . 2]" 1
1080 1 58 LYS H 1 58 LYS QG . . 3.620 2.776 2.615 3.952 0.332 10 0 "[ . 1 . 2]" 1
1081 1 58 LYS H 1 59 ILE H . . 3.410 2.533 2.508 2.566 . 0 0 "[ . 1 . 2]" 1
1082 1 58 LYS HA 1 58 LYS HB2 . . 3.140 2.973 2.261 3.013 . 0 0 "[ . 1 . 2]" 1
1083 1 58 LYS HA 1 58 LYS HB3 . . 2.910 2.380 2.353 2.708 . 0 0 "[ . 1 . 2]" 1
1084 1 58 LYS HA 1 58 LYS QD . . 4.060 3.531 2.241 4.274 0.214 10 0 "[ . 1 . 2]" 1
1085 1 58 LYS HA 1 58 LYS QG . . 3.030 2.655 2.538 3.224 0.194 10 0 "[ . 1 . 2]" 1
1086 1 58 LYS HA 1 59 ILE H . . 3.340 2.983 2.924 3.031 . 0 0 "[ . 1 . 2]" 1
1087 1 58 LYS HA 1 59 ILE HA . . 5.190 4.532 4.502 4.553 . 0 0 "[ . 1 . 2]" 1
1088 1 58 LYS HA 1 59 ILE HG13 . . 5.140 4.786 4.725 4.869 . 0 0 "[ . 1 . 2]" 1
1089 1 58 LYS HB2 1 59 ILE H . . 4.910 4.044 4.000 4.619 . 0 0 "[ . 1 . 2]" 1
1090 1 58 LYS HB2 1 59 ILE HG12 . . 5.260 4.581 4.362 5.821 0.561 10 1 "[ . + . 2]" 1
1091 1 58 LYS HB2 1 59 ILE HG13 . . 4.670 4.154 3.976 5.588 0.918 10 1 "[ . + . 2]" 1
1092 1 58 LYS HB3 1 58 LYS QD . . 3.640 2.193 1.989 3.077 . 0 0 "[ . 1 . 2]" 1
1093 1 58 LYS HB3 1 58 LYS QE . . 5.060 3.564 2.510 4.027 . 0 0 "[ . 1 . 2]" 1
1094 1 58 LYS HB3 1 59 ILE H . . 4.520 4.523 4.326 4.544 0.024 19 0 "[ . 1 . 2]" 1
1095 1 58 LYS QG 1 59 ILE H . . 4.870 4.312 3.476 4.468 . 0 0 "[ . 1 . 2]" 1
1096 1 59 ILE H 1 59 ILE HB . . 3.130 2.634 2.569 2.740 . 0 0 "[ . 1 . 2]" 1
1097 1 59 ILE H 1 59 ILE MD . . 4.000 3.872 3.734 3.938 . 0 0 "[ . 1 . 2]" 1
1098 1 59 ILE H 1 59 ILE HG12 . . 3.690 3.647 3.391 3.697 0.007 2 0 "[ . 1 . 2]" 1
1099 1 59 ILE H 1 59 ILE HG13 . . 4.770 2.490 2.264 2.561 . 0 0 "[ . 1 . 2]" 1
1100 1 59 ILE H 1 59 ILE MG . . 4.140 3.842 3.819 3.863 . 0 0 "[ . 1 . 2]" 1
1101 1 59 ILE H 1 60 SER H . . 5.340 4.272 4.169 4.370 . 0 0 "[ . 1 . 2]" 1
1102 1 59 ILE H 1 60 SER HA . . 4.930 4.948 4.858 5.003 0.073 12 0 "[ . 1 . 2]" 1
1103 1 59 ILE HA 1 59 ILE MD . . 4.110 3.846 3.821 3.875 . 0 0 "[ . 1 . 2]" 1
1104 1 59 ILE HA 1 59 ILE HG12 . . 3.650 2.579 2.523 2.672 . 0 0 "[ . 1 . 2]" 1
1105 1 59 ILE HA 1 59 ILE HG13 . . 3.470 3.129 3.049 3.264 . 0 0 "[ . 1 . 2]" 1
1106 1 59 ILE HA 1 59 ILE MG . . 2.970 2.346 2.314 2.387 . 0 0 "[ . 1 . 2]" 1
1107 1 59 ILE HA 1 60 SER H . . 3.750 2.148 2.139 2.161 . 0 0 "[ . 1 . 2]" 1
1108 1 59 ILE HA 1 60 SER HA . . 4.940 4.405 4.388 4.421 . 0 0 "[ . 1 . 2]" 1
1109 1 59 ILE HA 1 61 SER H . . 3.930 3.469 3.357 3.620 . 0 0 "[ . 1 . 2]" 1
1110 1 59 ILE HB 1 59 ILE MD . . 3.670 2.380 2.337 2.438 . 0 0 "[ . 1 . 2]" 1
1111 1 59 ILE HB 1 60 SER H . . 5.500 4.288 4.197 4.376 . 0 0 "[ . 1 . 2]" 1
1112 1 59 ILE HB 1 61 SER H . . 5.190 4.641 4.461 4.796 . 0 0 "[ . 1 . 2]" 1
1113 1 59 ILE HB 1 63 VAL MG1 . . 4.370 4.386 4.251 4.480 0.110 9 0 "[ . 1 . 2]" 1
1114 1 59 ILE MD 1 59 ILE MG . . 3.140 2.085 1.990 2.157 . 0 0 "[ . 1 . 2]" 1
1115 1 59 ILE MD 1 63 VAL HB . . 4.850 4.498 4.056 4.803 . 0 0 "[ . 1 . 2]" 1
1116 1 59 ILE HG12 1 61 SER H . . 5.500 5.261 5.087 5.536 0.036 10 0 "[ . 1 . 2]" 1
1117 1 59 ILE MG 1 60 SER H . . 5.500 2.828 2.500 3.095 . 0 0 "[ . 1 . 2]" 1
1118 1 59 ILE MG 1 60 SER HA . . 4.570 4.032 3.916 4.159 . 0 0 "[ . 1 . 2]" 1
1119 1 59 ILE MG 1 60 SER QB . . 4.880 4.513 4.148 4.618 . 0 0 "[ . 1 . 2]" 1
1120 1 59 ILE MG 1 61 SER H . . 3.290 2.240 2.079 2.507 . 0 0 "[ . 1 . 2]" 1
1121 1 59 ILE MG 1 62 PRO HA . . 5.310 4.564 4.368 4.929 . 0 0 "[ . 1 . 2]" 1
1122 1 59 ILE MG 1 62 PRO HD2 . . 5.330 5.315 5.202 5.384 0.054 10 0 "[ . 1 . 2]" 1
1123 1 59 ILE MG 1 63 VAL HA . . 5.220 5.153 4.950 5.275 0.055 16 0 "[ . 1 . 2]" 1
1124 1 59 ILE MG 1 63 VAL HB . . 4.820 4.382 4.210 4.554 . 0 0 "[ . 1 . 2]" 1
1125 1 59 ILE MG 1 63 VAL MG1 . . 3.320 2.242 2.118 2.321 . 0 0 "[ . 1 . 2]" 1
1126 1 60 SER H 1 61 SER H . . 3.610 2.207 2.090 2.315 . 0 0 "[ . 1 . 2]" 1
1127 1 60 SER HA 1 61 SER H . . 3.560 3.435 3.393 3.468 . 0 0 "[ . 1 . 2]" 1
1128 1 60 SER QB 1 61 SER H . . 3.630 3.268 2.976 3.467 . 0 0 "[ . 1 . 2]" 1
1129 1 61 SER H 1 62 PRO HD2 . . 5.060 4.805 4.780 4.826 . 0 0 "[ . 1 . 2]" 1
1130 1 61 SER H 1 62 PRO HD3 . . 5.240 5.023 4.976 5.066 . 0 0 "[ . 1 . 2]" 1
1131 1 61 SER H 1 63 VAL MG1 . . 4.540 4.480 4.404 4.602 0.062 9 0 "[ . 1 . 2]" 1
1132 1 62 PRO HA 1 63 VAL H . . 3.000 2.152 2.150 2.155 . 0 0 "[ . 1 . 2]" 1
1133 1 62 PRO HA 1 63 VAL MG1 . . 4.520 3.893 3.794 4.174 . 0 0 "[ . 1 . 2]" 1
1134 1 62 PRO HA 1 63 VAL MG2 . . 4.110 3.744 3.548 3.859 . 0 0 "[ . 1 . 2]" 1
1135 1 62 PRO HB2 1 63 VAL H . . 4.190 3.650 3.536 3.698 . 0 0 "[ . 1 . 2]" 1
1136 1 62 PRO HB2 1 63 VAL MG2 . . 5.410 5.306 5.183 5.388 . 0 0 "[ . 1 . 2]" 1
1137 1 62 PRO HB3 1 62 PRO HD3 . . 3.960 2.979 2.978 2.980 . 0 0 "[ . 1 . 2]" 1
1138 1 62 PRO HB3 1 63 VAL H . . 4.460 4.081 4.002 4.114 . 0 0 "[ . 1 . 2]" 1
1139 1 62 PRO HD3 1 63 VAL MG1 . . 5.500 5.367 5.285 5.582 0.082 9 0 "[ . 1 . 2]" 1
1140 1 63 VAL H 1 63 VAL MG2 . . 3.460 2.182 2.072 2.340 . 0 0 "[ . 1 . 2]" 1
1141 1 63 VAL HA 1 63 VAL HB . . 2.900 2.453 2.416 2.545 . 0 0 "[ . 1 . 2]" 1
1142 1 63 VAL HA 1 63 VAL MG1 . . 2.900 2.293 2.176 2.393 . 0 0 "[ . 1 . 2]" 1
1143 1 63 VAL HA 1 64 ARG H . . 3.340 2.585 2.550 2.606 . 0 0 "[ . 1 . 2]" 1
1144 1 63 VAL HB 1 64 ARG H . . 3.330 2.035 1.996 2.081 . 0 0 "[ . 1 . 2]" 1
1145 1 63 VAL HB 1 64 ARG HA . . 4.590 4.619 4.496 4.683 0.093 16 0 "[ . 1 . 2]" 1
1146 1 63 VAL HB 1 64 ARG QD . . 4.760 4.458 3.853 5.278 0.518 9 1 "[ . +1 . 2]" 1
1147 1 63 VAL HB 1 64 ARG QG . . 3.460 3.531 3.291 3.732 0.272 9 0 "[ . 1 . 2]" 1
1148 1 63 VAL MG1 1 64 ARG H . . 3.900 3.567 3.372 3.646 . 0 0 "[ . 1 . 2]" 1
1149 1 64 ARG H 1 64 ARG QB . . 3.760 2.650 2.283 2.735 . 0 0 "[ . 1 . 2]" 1
1150 1 64 ARG H 1 64 ARG QD . . 5.500 2.971 2.520 4.209 . 0 0 "[ . 1 . 2]" 1
1151 1 64 ARG H 1 64 ARG QG . . 5.010 1.936 1.806 2.691 . 0 0 "[ . 1 . 2]" 1
1152 1 64 ARG H 1 65 VAL MG1 . . 4.700 4.186 4.058 4.328 . 0 0 "[ . 1 . 2]" 1
1153 1 64 ARG HA 1 64 ARG QD . . 4.660 3.016 2.147 4.218 . 0 0 "[ . 1 . 2]" 1
1154 1 64 ARG HA 1 65 VAL H . . 2.960 2.170 2.150 2.195 . 0 0 "[ . 1 . 2]" 1
1155 1 64 ARG HA 1 65 VAL MG1 . . 4.820 3.757 3.625 3.936 . 0 0 "[ . 1 . 2]" 1
1156 1 64 ARG HA 1 65 VAL MG2 . . 4.350 3.648 3.502 3.844 . 0 0 "[ . 1 . 2]" 1
1157 1 64 ARG QB 1 65 VAL HA . . 4.790 4.088 4.012 4.614 . 0 0 "[ . 1 . 2]" 1
1158 1 64 ARG QB 1 65 VAL MG1 . . 5.500 4.241 4.127 4.688 . 0 0 "[ . 1 . 2]" 1
1159 1 64 ARG QG 1 65 VAL H . . 4.910 4.579 4.053 4.825 . 0 0 "[ . 1 . 2]" 1
1160 1 65 VAL H 1 65 VAL MG2 . . 3.600 2.349 2.239 2.414 . 0 0 "[ . 1 . 2]" 1
1161 1 65 VAL H 1 66 CYS H . . 5.290 4.272 4.230 4.332 . 0 0 "[ . 1 . 2]" 1
1162 1 65 VAL HA 1 65 VAL HB . . 2.670 2.452 2.415 2.507 . 0 0 "[ . 1 . 2]" 1
1163 1 65 VAL HA 1 65 VAL MG1 . . 2.850 2.267 2.168 2.337 . 0 0 "[ . 1 . 2]" 1
1164 1 65 VAL HA 1 65 VAL MG2 . . 3.510 3.201 3.187 3.203 . 0 0 "[ . 1 . 2]" 1
1165 1 65 VAL HA 1 66 CYS H . . 3.180 2.181 2.167 2.189 . 0 0 "[ . 1 . 2]" 1
1166 1 65 VAL HA 1 66 CYS HA . . 5.140 4.342 4.334 4.349 . 0 0 "[ . 1 . 2]" 1
1167 1 65 VAL HA 1 66 CYS QB . . 5.090 4.426 4.392 4.485 . 0 0 "[ . 1 . 2]" 1
1168 1 65 VAL HA 1 69 CYS HB2 . . 4.010 3.936 3.837 4.094 0.084 15 0 "[ . 1 . 2]" 1
1169 1 65 VAL HA 1 69 CYS HB3 . . 4.920 4.653 4.420 4.924 0.004 10 0 "[ . 1 . 2]" 1
1170 1 65 VAL HB 1 66 CYS H . . 3.380 3.069 3.028 3.143 . 0 0 "[ . 1 . 2]" 1
1171 1 65 VAL HB 1 66 CYS HA . . 5.010 4.970 4.888 5.080 0.070 14 0 "[ . 1 . 2]" 1
1172 1 65 VAL HB 1 69 CYS H . . 5.120 4.564 4.409 4.889 . 0 0 "[ . 1 . 2]" 1
1173 1 65 VAL HB 1 69 CYS HA . . 5.450 5.164 4.838 5.464 0.014 15 0 "[ . 1 . 2]" 1
1174 1 65 VAL HB 1 69 CYS HB2 . . 3.430 2.727 2.431 3.056 . 0 0 "[ . 1 . 2]" 1
1175 1 65 VAL HB 1 69 CYS HB3 . . 3.810 2.915 2.386 3.381 . 0 0 "[ . 1 . 2]" 1
1176 1 65 VAL HB 1 70 TYR H . . 4.320 3.257 3.019 3.516 . 0 0 "[ . 1 . 2]" 1
1177 1 65 VAL HB 1 70 TYR HA . . 4.490 3.849 3.512 4.206 . 0 0 "[ . 1 . 2]" 1
1178 1 65 VAL MG1 1 66 CYS H . . 4.530 3.902 3.824 3.979 . 0 0 "[ . 1 . 2]" 1
1179 1 65 VAL MG1 1 69 CYS HB2 . . 4.290 4.038 3.847 4.152 . 0 0 "[ . 1 . 2]" 1
1180 1 65 VAL MG1 1 70 TYR H . . 5.410 4.634 4.454 4.777 . 0 0 "[ . 1 . 2]" 1
1181 1 65 VAL MG1 1 70 TYR HA . . 4.640 4.267 3.981 4.461 . 0 0 "[ . 1 . 2]" 1
1182 1 65 VAL MG1 1 70 TYR HB2 . . 5.500 4.432 4.025 4.728 . 0 0 "[ . 1 . 2]" 1
1183 1 65 VAL MG1 1 70 TYR QD . . 5.070 4.179 3.947 4.367 . 0 0 "[ . 1 . 2]" 1
1184 1 65 VAL MG2 1 66 CYS H . . 4.530 3.847 3.770 3.994 . 0 0 "[ . 1 . 2]" 1
1185 1 65 VAL MG2 1 69 CYS H . . 5.450 4.870 4.346 5.487 0.037 15 0 "[ . 1 . 2]" 1
1186 1 65 VAL MG2 1 69 CYS HB2 . . 4.660 3.920 3.311 4.416 . 0 0 "[ . 1 . 2]" 1
1187 1 65 VAL MG2 1 70 TYR H . . 3.960 3.123 2.602 3.504 . 0 0 "[ . 1 . 2]" 1
1188 1 65 VAL MG2 1 70 TYR HA . . 3.410 2.793 2.439 3.107 . 0 0 "[ . 1 . 2]" 1
1189 1 65 VAL MG2 1 70 TYR HB2 . . 3.450 1.930 1.896 1.967 . 0 0 "[ . 1 . 2]" 1
1190 1 65 VAL MG2 1 70 TYR HB3 . . 4.050 3.441 3.335 3.520 . 0 0 "[ . 1 . 2]" 1
1191 1 65 VAL MG2 1 70 TYR QD . . 3.510 2.115 1.912 2.361 . 0 0 "[ . 1 . 2]" 1
1192 1 65 VAL MG2 1 70 TYR QE . . 4.180 3.910 3.718 4.121 . 0 0 "[ . 1 . 2]" 1
1193 1 66 CYS H 1 66 CYS QB . . 3.850 2.601 2.528 2.660 . 0 0 "[ . 1 . 2]" 1
1194 1 66 CYS H 1 67 GLN H . . 5.390 4.629 4.618 4.641 . 0 0 "[ . 1 . 2]" 1
1195 1 66 CYS H 1 69 CYS H . . 5.500 4.000 3.827 4.181 . 0 0 "[ . 1 . 2]" 1
1196 1 66 CYS H 1 69 CYS HB2 . . 4.090 2.866 2.721 3.056 . 0 0 "[ . 1 . 2]" 1
1197 1 66 CYS H 1 69 CYS HB3 . . 4.600 4.287 4.066 4.497 . 0 0 "[ . 1 . 2]" 1
1198 1 66 CYS HA 1 67 GLN H . . 3.460 2.317 2.270 2.377 . 0 0 "[ . 1 . 2]" 1
1199 1 66 CYS HA 1 67 GLN QB . . 5.170 4.227 4.188 4.255 . 0 0 "[ . 1 . 2]" 1
1200 1 66 CYS HA 1 68 ASN H . . 4.960 4.245 4.000 4.456 . 0 0 "[ . 1 . 2]" 1
1201 1 66 CYS QB 1 67 GLN H . . 3.370 2.603 2.455 2.724 . 0 0 "[ . 1 . 2]" 1
1202 1 66 CYS QB 1 68 ASN H . . 4.040 2.782 2.575 2.997 . 0 0 "[ . 1 . 2]" 1
1203 1 66 CYS QB 1 68 ASN HB2 . . 4.690 3.523 3.214 4.516 . 0 0 "[ . 1 . 2]" 1
1204 1 66 CYS QB 1 68 ASN HB3 . . 4.730 4.267 3.359 4.527 . 0 0 "[ . 1 . 2]" 1
1205 1 67 GLN H 1 67 GLN QB . . 3.360 2.221 2.149 2.229 . 0 0 "[ . 1 . 2]" 1
1206 1 67 GLN H 1 67 GLN HG2 . . 4.260 4.325 3.977 4.353 0.093 17 0 "[ . 1 . 2]" 1
1207 1 67 GLN H 1 67 GLN HG3 . . 5.110 4.496 4.061 4.525 . 0 0 "[ . 1 . 2]" 1
1208 1 67 GLN H 1 68 ASN H . . 3.710 2.813 2.758 2.887 . 0 0 "[ . 1 . 2]" 1
1209 1 67 GLN H 1 68 ASN HB2 . . 4.670 4.719 4.601 5.424 0.754 15 2 "[ . 1 - + 2]" 1
1210 1 67 GLN H 1 69 CYS HB2 . . 5.500 5.420 5.217 5.586 0.086 9 0 "[ . 1 . 2]" 1
1211 1 67 GLN H 1 70 TYR HB3 . . 5.500 4.900 4.654 5.101 . 0 0 "[ . 1 . 2]" 1
1212 1 67 GLN HA 1 67 GLN HG3 . . 3.850 2.799 2.717 4.201 0.351 9 0 "[ . 1 . 2]" 1
1213 1 67 GLN HA 1 70 TYR H . . 4.260 3.499 3.337 3.744 . 0 0 "[ . 1 . 2]" 1
1214 1 67 GLN HA 1 70 TYR HB3 . . 3.990 2.496 2.320 2.656 . 0 0 "[ . 1 . 2]" 1
1215 1 67 GLN HA 1 70 TYR QD . . 4.580 4.122 3.891 4.278 . 0 0 "[ . 1 . 2]" 1
1216 1 67 GLN HA 1 71 TYR QD . . 5.500 3.880 3.379 3.997 . 0 0 "[ . 1 . 2]" 1
1217 1 67 GLN HA 1 71 TYR QE . . 5.340 5.205 4.460 5.366 0.026 14 0 "[ . 1 . 2]" 1
1218 1 67 GLN QB 1 68 ASN HA . . 4.900 4.331 4.270 4.651 . 0 0 "[ . 1 . 2]" 1
1219 1 67 GLN QB 1 70 TYR HB3 . . 5.490 4.432 4.156 4.581 . 0 0 "[ . 1 . 2]" 1
1220 1 67 GLN QB 1 71 TYR QD . . 4.450 3.978 3.318 4.425 . 0 0 "[ . 1 . 2]" 1
1221 1 67 GLN HG2 1 68 ASN H . . 4.250 3.378 3.009 3.643 . 0 0 "[ . 1 . 2]" 1
1222 1 67 GLN HG2 1 68 ASN HA . . 4.840 3.302 3.069 3.441 . 0 0 "[ . 1 . 2]" 1
1223 1 67 GLN HG2 1 71 TYR QD . . 3.970 2.406 2.000 3.596 . 0 0 "[ . 1 . 2]" 1
1224 1 67 GLN HG2 1 71 TYR QE . . 4.110 3.428 2.689 3.783 . 0 0 "[ . 1 . 2]" 1
1225 1 67 GLN HG3 1 71 TYR HB2 . . 5.080 4.210 3.889 5.969 0.889 9 1 "[ . +1 . 2]" 1
1226 1 67 GLN HG3 1 71 TYR QD . . 4.110 2.312 1.995 4.018 . 0 0 "[ . 1 . 2]" 1
1227 1 67 GLN HG3 1 71 TYR QE . . 4.030 2.771 2.390 3.772 . 0 0 "[ . 1 . 2]" 1
1228 1 68 ASN H 1 68 ASN HB2 . . 3.130 2.142 2.065 2.749 . 0 0 "[ . 1 . 2]" 1
1229 1 68 ASN H 1 68 ASN HB3 . . 3.270 3.131 2.332 3.264 . 0 0 "[ . 1 . 2]" 1
1230 1 68 ASN H 1 69 CYS H . . 3.380 2.678 2.537 2.883 . 0 0 "[ . 1 . 2]" 1
1231 1 68 ASN H 1 69 CYS HA . . 5.320 5.300 5.192 5.439 0.119 15 0 "[ . 1 . 2]" 1
1232 1 68 ASN H 1 69 CYS HB2 . . 5.160 4.711 4.550 4.888 . 0 0 "[ . 1 . 2]" 1
1233 1 68 ASN H 1 70 TYR H . . 4.770 4.334 4.162 4.476 . 0 0 "[ . 1 . 2]" 1
1234 1 68 ASN H 1 70 TYR HB3 . . 5.470 5.267 5.081 5.454 . 0 0 "[ . 1 . 2]" 1
1235 1 68 ASN H 1 71 TYR H . . 5.460 4.874 4.661 4.982 . 0 0 "[ . 1 . 2]" 1
1236 1 68 ASN H 1 71 TYR QD . . 5.500 4.922 4.431 5.441 . 0 0 "[ . 1 . 2]" 1
1237 1 68 ASN HA 1 68 ASN HB2 . . 3.080 2.770 2.345 2.834 . 0 0 "[ . 1 . 2]" 1
1238 1 68 ASN HA 1 70 TYR H . . 5.190 5.024 4.930 5.149 . 0 0 "[ . 1 . 2]" 1
1239 1 68 ASN HA 1 71 TYR H . . 4.340 4.195 3.954 4.283 . 0 0 "[ . 1 . 2]" 1
1240 1 68 ASN HA 1 71 TYR HB2 . . 3.900 3.303 2.943 3.395 . 0 0 "[ . 1 . 2]" 1
1241 1 68 ASN HA 1 71 TYR QD . . 4.320 3.850 3.183 4.365 0.045 15 0 "[ . 1 . 2]" 1
1242 1 68 ASN HB2 1 69 CYS H . . 3.730 3.421 3.209 3.943 0.213 13 0 "[ . 1 . 2]" 1
1243 1 68 ASN HB3 1 69 CYS H . . 3.730 2.996 2.478 3.143 . 0 0 "[ . 1 . 2]" 1
1244 1 69 CYS H 1 69 CYS HB2 . . 3.390 2.264 2.202 2.327 . 0 0 "[ . 1 . 2]" 1
1245 1 69 CYS H 1 69 CYS HB3 . . 3.760 3.541 3.494 3.583 . 0 0 "[ . 1 . 2]" 1
1246 1 69 CYS H 1 70 TYR H . . 3.520 2.477 2.404 2.723 . 0 0 "[ . 1 . 2]" 1
1247 1 69 CYS H 1 70 TYR HA . . 5.370 5.086 5.029 5.296 . 0 0 "[ . 1 . 2]" 1
1248 1 69 CYS H 1 72 ASN H . . 5.060 4.906 4.785 5.076 0.016 15 0 "[ . 1 . 2]" 1
1249 1 69 CYS HA 1 72 ASN H . . 3.800 3.470 3.374 3.565 . 0 0 "[ . 1 . 2]" 1
1250 1 69 CYS HA 1 72 ASN QB . . 3.150 2.968 2.774 3.170 0.020 11 0 "[ . 1 . 2]" 1
1251 1 69 CYS HA 1 73 LEU H . . 4.390 4.318 4.197 4.395 0.005 11 0 "[ . 1 . 2]" 1
1252 1 69 CYS HA 1 73 LEU QD . . 4.730 4.125 3.959 4.346 . 0 0 "[ . 1 . 2]" 1
1253 1 69 CYS HA 1 73 LEU HG . . 4.210 3.975 3.745 4.187 . 0 0 "[ . 1 . 2]" 1
1254 1 69 CYS HB2 1 70 TYR H . . 3.820 2.545 2.431 2.656 . 0 0 "[ . 1 . 2]" 1
1255 1 69 CYS HB2 1 73 LEU QD . . 3.850 3.600 3.236 3.787 . 0 0 "[ . 1 . 2]" 1
1256 1 69 CYS HB3 1 70 TYR HA . . 4.020 4.066 3.967 4.157 0.137 20 0 "[ . 1 . 2]" 1
1257 1 69 CYS HB3 1 71 TYR H . . 5.480 5.365 5.116 5.503 0.023 9 0 "[ . 1 . 2]" 1
1258 1 69 CYS HB3 1 72 ASN H . . 5.280 5.077 4.998 5.252 . 0 0 "[ . 1 . 2]" 1
1259 1 69 CYS HB3 1 73 LEU HB2 . . 5.270 4.924 4.703 5.096 . 0 0 "[ . 1 . 2]" 1
1260 1 69 CYS HB3 1 73 LEU QD . . 4.110 2.613 2.329 2.837 . 0 0 "[ . 1 . 2]" 1
1261 1 69 CYS HB3 1 73 LEU HG . . 4.910 3.131 2.883 3.274 . 0 0 "[ . 1 . 2]" 1
1262 1 70 TYR H 1 70 TYR HB2 . . 3.320 2.450 2.397 2.519 . 0 0 "[ . 1 . 2]" 1
1263 1 70 TYR H 1 70 TYR HB3 . . 3.400 2.624 2.551 2.682 . 0 0 "[ . 1 . 2]" 1
1264 1 70 TYR H 1 70 TYR QD . . 4.220 4.184 4.159 4.202 . 0 0 "[ . 1 . 2]" 1
1265 1 70 TYR H 1 71 TYR H . . 3.740 2.885 2.805 2.948 . 0 0 "[ . 1 . 2]" 1
1266 1 70 TYR H 1 71 TYR HA . . 5.500 5.436 5.377 5.483 . 0 0 "[ . 1 . 2]" 1
1267 1 70 TYR H 1 71 TYR QD . . 5.500 5.482 5.050 5.553 0.053 2 0 "[ . 1 . 2]" 1
1268 1 70 TYR H 1 72 ASN H . . 4.970 4.276 4.133 4.504 . 0 0 "[ . 1 . 2]" 1
1269 1 70 TYR H 1 73 LEU H . . 4.600 4.568 4.494 4.643 0.043 11 0 "[ . 1 . 2]" 1
1270 1 70 TYR H 1 73 LEU QD . . 4.930 3.465 3.267 3.736 . 0 0 "[ . 1 . 2]" 1
1271 1 70 TYR HA 1 70 TYR QD . . 3.530 2.949 2.812 3.073 . 0 0 "[ . 1 . 2]" 1
1272 1 70 TYR HA 1 70 TYR QE . . 5.060 4.677 4.606 4.761 . 0 0 "[ . 1 . 2]" 1
1273 1 70 TYR HA 1 71 TYR HA . . 5.070 4.847 4.813 4.883 . 0 0 "[ . 1 . 2]" 1
1274 1 70 TYR HA 1 73 LEU H . . 4.460 3.122 3.073 3.233 . 0 0 "[ . 1 . 2]" 1
1275 1 70 TYR HA 1 73 LEU HA . . 4.870 4.892 4.818 4.974 0.104 6 0 "[ . 1 . 2]" 1
1276 1 70 TYR HA 1 73 LEU HB2 . . 3.850 2.121 2.040 2.246 . 0 0 "[ . 1 . 2]" 1
1277 1 70 TYR HA 1 73 LEU HB3 . . 4.210 3.695 3.593 3.865 . 0 0 "[ . 1 . 2]" 1
1278 1 70 TYR HA 1 73 LEU QD . . 2.970 2.213 1.972 2.624 . 0 0 "[ . 1 . 2]" 1
1279 1 70 TYR HA 1 73 LEU HG . . 4.740 3.151 2.835 3.447 . 0 0 "[ . 1 . 2]" 1
1280 1 70 TYR HA 1 74 GLN QG . . 4.470 4.093 3.698 4.457 . 0 0 "[ . 1 . 2]" 1
1281 1 70 TYR HB2 1 70 TYR QD . . 3.330 2.395 2.352 2.445 . 0 0 "[ . 1 . 2]" 1
1282 1 70 TYR HB2 1 70 TYR QE . . 4.440 4.416 4.404 4.430 . 0 0 "[ . 1 . 2]" 1
1283 1 70 TYR HB2 1 71 TYR H . . 4.360 3.820 3.683 4.003 . 0 0 "[ . 1 . 2]" 1
1284 1 70 TYR HB2 1 74 GLN QG . . 5.500 5.185 4.823 5.502 0.002 9 0 "[ . 1 . 2]" 1
1285 1 70 TYR HB3 1 70 TYR QD . . 3.340 2.403 2.355 2.450 . 0 0 "[ . 1 . 2]" 1
1286 1 70 TYR HB3 1 70 TYR QE . . 4.430 4.419 4.405 4.432 0.002 3 0 "[ . 1 . 2]" 1
1287 1 70 TYR HB3 1 71 TYR H . . 3.860 2.508 2.317 2.773 . 0 0 "[ . 1 . 2]" 1
1288 1 70 TYR HB3 1 71 TYR HA . . 5.500 4.176 4.092 4.291 . 0 0 "[ . 1 . 2]" 1
1289 1 70 TYR QD 1 71 TYR H . . 4.440 3.340 3.197 3.504 . 0 0 "[ . 1 . 2]" 1
1290 1 70 TYR QD 1 71 TYR HA . . 4.150 3.044 2.849 3.204 . 0 0 "[ . 1 . 2]" 1
1291 1 70 TYR QD 1 71 TYR HB2 . . 4.600 4.637 4.604 4.662 0.062 14 0 "[ . 1 . 2]" 1
1292 1 70 TYR QD 1 71 TYR QD . . 4.590 4.199 2.458 4.432 . 0 0 "[ . 1 . 2]" 1
1293 1 70 TYR QD 1 73 LEU H . . 5.500 5.050 4.963 5.215 . 0 0 "[ . 1 . 2]" 1
1294 1 70 TYR QE 1 71 TYR HA . . 4.650 4.533 4.308 4.677 0.027 14 0 "[ . 1 . 2]" 1
1295 1 70 TYR QE 1 73 LEU HB2 . . 5.250 5.106 5.004 5.270 0.020 10 0 "[ . 1 . 2]" 1
1296 1 70 TYR QE 1 74 GLN HB3 . . 4.990 4.112 2.885 5.082 0.092 7 0 "[ . 1 . 2]" 1
1297 1 70 TYR QE 1 74 GLN QG . . 4.020 2.775 2.334 3.403 . 0 0 "[ . 1 . 2]" 1
1298 1 71 TYR H 1 71 TYR HB2 . . 3.580 2.098 2.069 2.147 . 0 0 "[ . 1 . 2]" 1
1299 1 71 TYR H 1 71 TYR HB3 . . 3.770 3.388 3.313 3.461 . 0 0 "[ . 1 . 2]" 1
1300 1 71 TYR H 1 71 TYR QD . . 4.600 3.300 2.768 3.479 . 0 0 "[ . 1 . 2]" 1
1301 1 71 TYR H 1 72 ASN H . . 3.770 2.779 2.692 2.888 . 0 0 "[ . 1 . 2]" 1
1302 1 71 TYR H 1 72 ASN QB . . 5.330 4.611 4.470 4.744 . 0 0 "[ . 1 . 2]" 1
1303 1 71 TYR H 1 73 LEU H . . 5.260 3.954 3.819 4.290 . 0 0 "[ . 1 . 2]" 1
1304 1 71 TYR H 1 73 LEU QD . . 5.500 4.876 4.654 5.158 . 0 0 "[ . 1 . 2]" 1
1305 1 71 TYR H 1 74 GLN H . . 5.500 4.910 4.772 5.073 . 0 0 "[ . 1 . 2]" 1
1306 1 71 TYR HA 1 71 TYR QD . . 3.080 2.610 2.219 2.884 . 0 0 "[ . 1 . 2]" 1
1307 1 71 TYR HA 1 71 TYR QE . . 4.300 4.312 4.185 4.401 0.101 11 0 "[ . 1 . 2]" 1
1308 1 71 TYR HB2 1 71 TYR QD . . 3.260 2.323 2.278 2.756 . 0 0 "[ . 1 . 2]" 1
1309 1 71 TYR HB2 1 71 TYR QE . . 4.300 4.396 4.383 4.509 0.209 15 0 "[ . 1 . 2]" 1
1310 1 71 TYR HB2 1 72 ASN H . . 4.110 3.095 2.853 3.172 . 0 0 "[ . 1 . 2]" 1
1311 1 71 TYR HB3 1 71 TYR QD . . 3.310 2.565 2.306 2.694 . 0 0 "[ . 1 . 2]" 1
1312 1 71 TYR HB3 1 71 TYR QE . . 4.650 4.462 4.392 4.495 . 0 0 "[ . 1 . 2]" 1
1313 1 71 TYR HB3 1 72 ASN H . . 3.910 3.108 2.911 3.235 . 0 0 "[ . 1 . 2]" 1
1314 1 71 TYR HB3 1 72 ASN HA . . 4.000 3.991 3.913 4.036 0.036 3 0 "[ . 1 . 2]" 1
1315 1 71 TYR QD 1 72 ASN H . . 4.840 4.648 4.533 4.706 . 0 0 "[ . 1 . 2]" 1
1316 1 71 TYR QD 1 74 GLN QG . . 5.070 4.482 3.484 5.081 0.011 14 0 "[ . 1 . 2]" 1
1317 1 72 ASN H 1 72 ASN QB . . 3.280 2.193 2.116 2.283 . 0 0 "[ . 1 . 2]" 1
1318 1 72 ASN H 1 73 LEU H . . 3.560 2.347 2.314 2.484 . 0 0 "[ . 1 . 2]" 1
1319 1 72 ASN H 1 73 LEU QD . . 5.210 4.547 4.369 4.750 . 0 0 "[ . 1 . 2]" 1
1320 1 72 ASN H 1 73 LEU HG . . 4.880 4.215 3.939 4.539 . 0 0 "[ . 1 . 2]" 1
1321 1 72 ASN H 1 74 GLN QG . . 5.500 4.757 3.859 5.463 . 0 0 "[ . 1 . 2]" 1
1322 1 72 ASN H 1 75 HIS H . . 4.770 4.744 4.608 4.891 0.121 3 0 "[ . 1 . 2]" 1
1323 1 72 ASN HA 1 74 GLN H . . 4.720 4.179 3.948 4.610 . 0 0 "[ . 1 . 2]" 1
1324 1 72 ASN HA 1 75 HIS H . . 5.040 3.264 3.053 3.491 . 0 0 "[ . 1 . 2]" 1
1325 1 72 ASN HA 1 75 HIS HB2 . . 4.720 2.861 2.081 4.286 . 0 0 "[ . 1 . 2]" 1
1326 1 72 ASN HA 1 75 HIS HB3 . . 4.910 3.321 2.323 4.203 . 0 0 "[ . 1 . 2]" 1
1327 1 72 ASN QB 1 73 LEU H . . 3.770 2.942 2.658 3.033 . 0 0 "[ . 1 . 2]" 1
1328 1 72 ASN QB 1 73 LEU QD . . 4.450 3.855 3.632 4.065 . 0 0 "[ . 1 . 2]" 1
1329 1 72 ASN QB 1 73 LEU HG . . 4.840 3.751 3.533 4.015 . 0 0 "[ . 1 . 2]" 1
1330 1 72 ASN QB 1 75 HIS HB2 . . 5.250 4.865 3.799 6.118 0.868 3 1 "[ + . 1 . 2]" 1
1331 1 73 LEU H 1 73 LEU HB2 . . 3.360 2.341 2.225 2.571 . 0 0 "[ . 1 . 2]" 1
1332 1 73 LEU H 1 73 LEU HB3 . . 3.710 3.564 3.520 3.585 . 0 0 "[ . 1 . 2]" 1
1333 1 73 LEU H 1 73 LEU QD . . 3.830 3.247 3.019 3.371 . 0 0 "[ . 1 . 2]" 1
1334 1 73 LEU H 1 73 LEU HG . . 3.360 2.572 2.078 2.827 . 0 0 "[ . 1 . 2]" 1
1335 1 73 LEU H 1 74 GLN H . . 3.700 2.551 2.406 2.840 . 0 0 "[ . 1 . 2]" 1
1336 1 73 LEU H 1 74 GLN QG . . 5.290 3.955 3.702 4.417 . 0 0 "[ . 1 . 2]" 1
1337 1 73 LEU H 1 75 HIS H . . 5.500 3.866 3.708 4.179 . 0 0 "[ . 1 . 2]" 1
1338 1 73 LEU HA 1 73 LEU HB3 . . 2.900 2.538 2.444 2.611 . 0 0 "[ . 1 . 2]" 1
1339 1 73 LEU HA 1 73 LEU QD . . 2.890 2.073 1.949 2.354 . 0 0 "[ . 1 . 2]" 1
1340 1 73 LEU HA 1 73 LEU HG . . 3.970 2.954 2.838 3.074 . 0 0 "[ . 1 . 2]" 1
1341 1 73 LEU HA 1 75 HIS H . . 5.420 4.231 4.112 4.369 . 0 0 "[ . 1 . 2]" 1
1342 1 73 LEU HA 1 76 GLU H . . 4.620 3.739 3.259 4.026 . 0 0 "[ . 1 . 2]" 1
1343 1 73 LEU HA 1 76 GLU QG . . 4.440 3.047 1.962 4.245 . 0 0 "[ . 1 . 2]" 1
1344 1 73 LEU HB3 1 74 GLN HA . . 4.370 4.325 4.131 4.401 0.031 3 0 "[ . 1 . 2]" 1
1345 1 73 LEU HB3 1 76 GLU H . . 5.500 5.433 4.780 5.511 0.011 20 0 "[ . 1 . 2]" 1
1346 1 73 LEU QD 1 76 GLU HB3 . . 4.860 4.362 3.445 4.782 . 0 0 "[ . 1 . 2]" 1
1347 1 73 LEU HG 1 74 GLN H . . 5.500 4.568 4.229 4.683 . 0 0 "[ . 1 . 2]" 1
1348 1 74 GLN H 1 74 GLN HB3 . . 3.890 3.223 2.630 3.637 . 0 0 "[ . 1 . 2]" 1
1349 1 74 GLN H 1 74 GLN QG . . 3.930 2.271 2.072 2.561 . 0 0 "[ . 1 . 2]" 1
1350 1 74 GLN H 1 75 HIS HB2 . . 5.500 4.377 4.118 5.163 . 0 0 "[ . 1 . 2]" 1
1351 1 74 GLN HA 1 74 GLN QG . . 3.700 3.088 2.547 3.352 . 0 0 "[ . 1 . 2]" 1
1352 1 74 GLN HB3 1 75 HIS H . . 4.820 4.037 3.807 4.214 . 0 0 "[ . 1 . 2]" 1
1353 1 74 GLN QG 1 75 HIS H . . 5.500 3.212 1.931 4.285 . 0 0 "[ . 1 . 2]" 1
1354 1 75 HIS H 1 76 GLU H . . 4.980 2.490 2.305 2.635 . 0 0 "[ . 1 . 2]" 1
1355 1 75 HIS HB2 1 76 GLU H . . 5.390 3.724 3.061 4.376 . 0 0 "[ . 1 . 2]" 1
1356 1 76 GLU H 1 76 GLU QG . . 4.950 2.491 2.102 4.049 . 0 0 "[ . 1 . 2]" 1
1357 1 76 GLU HA 1 76 GLU HB2 . . 3.070 2.383 2.361 2.513 . 0 0 "[ . 1 . 2]" 1
1358 1 76 GLU HA 1 76 GLU QG . . 3.910 3.287 2.474 3.434 . 0 0 "[ . 1 . 2]" 1
1359 1 76 GLU HA 1 77 ARG H . . 3.770 3.452 3.151 3.500 . 0 0 "[ . 1 . 2]" 1
1360 1 76 GLU HA 1 78 GLY H . . 4.930 4.235 3.774 4.767 . 0 0 "[ . 1 . 2]" 1
1361 1 76 GLU QG 1 77 ARG HA . . 5.500 3.729 3.257 5.495 . 0 0 "[ . 1 . 2]" 1
1362 1 76 GLU QG 1 77 ARG HB2 . . 4.740 3.633 2.902 4.525 . 0 0 "[ . 1 . 2]" 1
1363 1 76 GLU QG 1 77 ARG QD . . 4.700 4.070 3.392 4.588 . 0 0 "[ . 1 . 2]" 1
1364 1 76 GLU QG 1 77 ARG QG . . 3.820 2.694 1.957 3.797 . 0 0 "[ . 1 . 2]" 1
1365 1 76 GLU QG 1 78 GLY H . . 5.500 4.562 4.219 5.153 . 0 0 "[ . 1 . 2]" 1
1366 1 77 ARG H 1 77 ARG HB2 . . 3.950 2.572 2.104 3.769 . 0 0 "[ . 1 . 2]" 1
1367 1 77 ARG H 1 78 GLY H . . 4.540 2.687 2.170 3.827 . 0 0 "[ . 1 . 2]" 1
1368 1 77 ARG HA 1 77 ARG QD . . 4.450 3.687 2.087 4.219 . 0 0 "[ . 1 . 2]" 1
1369 1 77 ARG HA 1 77 ARG QG . . 3.960 2.477 2.185 3.343 . 0 0 "[ . 1 . 2]" 1
1370 1 77 ARG HA 1 78 GLY H . . 3.510 3.136 2.300 3.512 0.002 2 0 "[ . 1 . 2]" 1
1371 1 77 ARG HB2 1 78 GLY H . . 4.740 3.649 2.769 4.566 . 0 0 "[ . 1 . 2]" 1
1372 1 77 ARG HB3 1 78 GLY H . . 4.610 3.942 3.091 4.661 0.051 9 0 "[ . 1 . 2]" 1
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