NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565027 |
2m3h   |
18963 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3h
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 1081
_Distance_constraint_stats_list.Viol_count 1268
_Distance_constraint_stats_list.Viol_total 515.997
_Distance_constraint_stats_list.Viol_max 0.123
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0203
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 0.625 0.122 14 0 "[ . 1 . 2]"
1 4 ASP 0.161 0.030 4 0 "[ . 1 . 2]"
1 5 PRO 0.024 0.014 4 0 "[ . 1 . 2]"
1 6 ASN 0.049 0.010 2 0 "[ . 1 . 2]"
1 7 ALA 0.111 0.015 7 0 "[ . 1 . 2]"
1 8 LEU 1.155 0.038 7 0 "[ . 1 . 2]"
1 9 TYR 1.264 0.056 14 0 "[ . 1 . 2]"
1 10 CYS 2.206 0.083 14 0 "[ . 1 . 2]"
1 11 ILE 1.468 0.049 20 0 "[ . 1 . 2]"
1 12 CYS 0.021 0.008 12 0 "[ . 1 . 2]"
1 13 ARG 0.383 0.036 6 0 "[ . 1 . 2]"
1 14 GLN 0.670 0.056 14 0 "[ . 1 . 2]"
1 15 PRO 1.371 0.068 10 0 "[ . 1 . 2]"
1 16 HIS 3.358 0.089 6 0 "[ . 1 . 2]"
1 17 ASN 2.556 0.122 14 0 "[ . 1 . 2]"
1 18 ASN 1.188 0.089 6 0 "[ . 1 . 2]"
1 19 ARG 0.112 0.032 11 0 "[ . 1 . 2]"
1 20 PHE 0.402 0.028 17 0 "[ . 1 . 2]"
1 21 MET 1.932 0.052 6 0 "[ . 1 . 2]"
1 22 ILE 2.639 0.072 7 0 "[ . 1 . 2]"
1 23 CYS 0.199 0.023 11 0 "[ . 1 . 2]"
1 24 CYS 3.755 0.067 3 0 "[ . 1 . 2]"
1 25 ASP 1.324 0.040 9 0 "[ . 1 . 2]"
1 26 ARG 0.314 0.024 16 0 "[ . 1 . 2]"
1 27 CYS 0.027 0.013 6 0 "[ . 1 . 2]"
1 28 GLU 1.131 0.067 5 0 "[ . 1 . 2]"
1 29 GLU 1.514 0.083 14 0 "[ . 1 . 2]"
1 30 TRP 2.507 0.072 7 0 "[ . 1 . 2]"
1 31 PHE 2.590 0.084 11 0 "[ . 1 . 2]"
1 32 HIS 0.960 0.036 6 0 "[ . 1 . 2]"
1 33 GLY 0.874 0.032 15 0 "[ . 1 . 2]"
1 34 ASP 0.724 0.049 9 0 "[ . 1 . 2]"
1 35 CYS 0.576 0.049 20 0 "[ . 1 . 2]"
1 36 VAL 0.371 0.020 11 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ILE 1.752 0.049 9 0 "[ . 1 . 2]"
1 39 SER 0.227 0.087 15 0 "[ . 1 . 2]"
1 40 GLU 0.188 0.087 15 0 "[ . 1 . 2]"
1 41 ALA 0.144 0.074 15 0 "[ . 1 . 2]"
1 42 ARG 0.020 0.007 2 0 "[ . 1 . 2]"
1 43 GLY 0.065 0.021 15 0 "[ . 1 . 2]"
1 44 ARG 0.011 0.009 15 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.367 0.123 10 0 "[ . 1 . 2]"
1 47 GLU 0.014 0.011 10 0 "[ . 1 . 2]"
1 48 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASN 0.153 0.123 10 0 "[ . 1 . 2]"
1 50 GLY 0.183 0.040 13 0 "[ . 1 . 2]"
1 51 GLU 0.025 0.022 10 0 "[ . 1 . 2]"
1 52 ASP 0.027 0.010 6 0 "[ . 1 . 2]"
1 53 TYR 0.971 0.035 14 0 "[ . 1 . 2]"
1 54 ILE 1.917 0.040 11 0 "[ . 1 . 2]"
1 55 CYS 1.978 0.067 3 0 "[ . 1 . 2]"
1 56 PRO 0.903 0.047 16 0 "[ . 1 . 2]"
1 57 ASN 1.554 0.084 11 0 "[ . 1 . 2]"
1 58 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 THR 0.625 0.040 11 0 "[ . 1 . 2]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.003 0.003 1 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 SER HA 1 2 SER HB2 . . 2.980 2.704 2.269 2.965 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 2 SER QB . . 2.560 2.250 2.158 2.541 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 2 SER HB3 . . 2.980 2.503 2.241 2.965 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER HA 1 3 MET H . . 3.290 2.296 2.142 2.634 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER QB 1 3 MET H . . 3.690 2.973 2.235 3.489 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER HB2 1 3 MET H . . 4.250 3.389 2.282 4.237 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER HB3 1 3 MET H . . 4.250 3.536 2.658 4.209 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET H 1 3 MET HB2 . . 4.110 3.030 2.413 3.841 . 0 0 "[ . 1 . 2]" 1
9 1 3 MET H 1 3 MET QB . . 3.340 2.371 2.212 2.949 . 0 0 "[ . 1 . 2]" 1
10 1 3 MET H 1 3 MET HB3 . . 4.110 2.531 2.330 3.064 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET H 1 3 MET ME . . 5.070 4.909 4.651 5.095 0.025 7 0 "[ . 1 . 2]" 1
12 1 3 MET H 1 3 MET HG2 . . 4.860 3.878 3.002 4.597 . 0 0 "[ . 1 . 2]" 1
13 1 3 MET H 1 3 MET QG . . 4.260 3.338 2.288 4.039 . 0 0 "[ . 1 . 2]" 1
14 1 3 MET H 1 3 MET HG3 . . 4.860 3.717 2.363 4.677 . 0 0 "[ . 1 . 2]" 1
15 1 3 MET HA 1 3 MET ME . . 4.970 4.769 3.367 4.974 0.004 15 0 "[ . 1 . 2]" 1
16 1 3 MET HA 1 3 MET QG . . 3.400 2.839 2.301 3.373 . 0 0 "[ . 1 . 2]" 1
17 1 3 MET HA 1 4 ASP H . . 2.900 2.295 2.147 2.456 . 0 0 "[ . 1 . 2]" 1
18 1 3 MET HA 1 4 ASP HB2 . . 4.650 4.107 4.019 4.231 . 0 0 "[ . 1 . 2]" 1
19 1 3 MET HA 1 9 TYR QE . . 4.430 3.500 3.350 3.693 . 0 0 "[ . 1 . 2]" 1
20 1 3 MET HA 1 30 TRP HD1 . . 4.940 4.225 3.743 4.541 . 0 0 "[ . 1 . 2]" 1
21 1 3 MET HA 1 30 TRP HE1 . . 4.800 4.345 3.899 4.576 . 0 0 "[ . 1 . 2]" 1
22 1 3 MET QB 1 3 MET ME . . 4.040 2.781 2.452 2.892 . 0 0 "[ . 1 . 2]" 1
23 1 3 MET QB 1 4 ASP H . . 3.740 3.138 2.354 3.770 0.030 4 0 "[ . 1 . 2]" 1
24 1 3 MET QB 1 30 TRP HD1 . . 3.590 2.621 2.242 3.381 . 0 0 "[ . 1 . 2]" 1
25 1 3 MET QB 1 30 TRP HE1 . . 5.340 2.038 1.889 2.285 . 0 0 "[ . 1 . 2]" 1
26 1 3 MET QB 1 30 TRP HZ2 . . 4.720 4.075 3.358 4.622 . 0 0 "[ . 1 . 2]" 1
27 1 3 MET HB2 1 4 ASP H . . 4.560 3.417 2.377 4.312 . 0 0 "[ . 1 . 2]" 1
28 1 3 MET HB3 1 4 ASP H . . 4.560 3.987 3.791 4.315 . 0 0 "[ . 1 . 2]" 1
29 1 3 MET ME 1 4 ASP H . . 5.500 4.794 4.013 5.364 . 0 0 "[ . 1 . 2]" 1
30 1 3 MET ME 1 9 TYR QD . . 4.790 4.045 3.103 4.751 . 0 0 "[ . 1 . 2]" 1
31 1 3 MET ME 1 9 TYR QE . . 4.190 3.563 2.769 4.190 0.000 8 0 "[ . 1 . 2]" 1
32 1 3 MET ME 1 16 HIS HB2 . . 4.770 2.387 2.159 2.862 . 0 0 "[ . 1 . 2]" 1
33 1 3 MET ME 1 16 HIS HB3 . . 4.920 2.141 1.890 2.522 . 0 0 "[ . 1 . 2]" 1
34 1 3 MET ME 1 17 ASN H . . 5.500 5.430 5.132 5.622 0.122 14 0 "[ . 1 . 2]" 1
35 1 3 MET ME 1 21 MET HG3 . . 4.870 4.679 4.279 4.879 0.009 11 0 "[ . 1 . 2]" 1
36 1 3 MET ME 1 30 TRP QB . . 3.890 3.171 2.202 3.740 . 0 0 "[ . 1 . 2]" 1
37 1 3 MET ME 1 30 TRP HD1 . . 4.270 3.553 3.084 3.957 . 0 0 "[ . 1 . 2]" 1
38 1 3 MET ME 1 30 TRP HE1 . . 4.850 3.217 3.082 3.502 . 0 0 "[ . 1 . 2]" 1
39 1 3 MET ME 1 30 TRP HE3 . . 4.490 3.741 3.234 4.030 . 0 0 "[ . 1 . 2]" 1
40 1 3 MET ME 1 30 TRP HH2 . . 4.520 4.209 3.788 4.533 0.013 14 0 "[ . 1 . 2]" 1
41 1 3 MET ME 1 30 TRP HZ2 . . 5.310 3.532 3.010 4.023 . 0 0 "[ . 1 . 2]" 1
42 1 3 MET ME 1 30 TRP HZ3 . . 4.640 4.287 4.176 4.366 . 0 0 "[ . 1 . 2]" 1
43 1 3 MET QG 1 4 ASP H . . 3.810 2.886 2.014 3.680 . 0 0 "[ . 1 . 2]" 1
44 1 3 MET QG 1 30 TRP HE1 . . 4.390 2.765 2.302 4.188 . 0 0 "[ . 1 . 2]" 1
45 1 3 MET QG 1 30 TRP HE3 . . 5.340 5.347 5.310 5.378 0.038 14 0 "[ . 1 . 2]" 1
46 1 3 MET HG2 1 4 ASP H . . 4.670 3.356 2.023 4.684 0.014 3 0 "[ . 1 . 2]" 1
47 1 3 MET HG3 1 4 ASP H . . 4.670 3.889 3.425 4.243 . 0 0 "[ . 1 . 2]" 1
48 1 4 ASP H 1 4 ASP HB2 . . 3.170 2.454 2.171 2.547 . 0 0 "[ . 1 . 2]" 1
49 1 4 ASP H 1 4 ASP HB3 . . 3.700 3.474 3.404 3.545 . 0 0 "[ . 1 . 2]" 1
50 1 4 ASP H 1 5 PRO HD3 . . 5.120 5.038 5.012 5.096 . 0 0 "[ . 1 . 2]" 1
51 1 4 ASP H 1 7 ALA H . . 4.780 4.675 4.493 4.795 0.015 7 0 "[ . 1 . 2]" 1
52 1 4 ASP H 1 7 ALA MB . . 4.190 2.573 2.446 2.681 . 0 0 "[ . 1 . 2]" 1
53 1 4 ASP H 1 9 TYR QE . . 4.070 3.247 2.864 3.555 . 0 0 "[ . 1 . 2]" 1
54 1 4 ASP H 1 30 TRP HD1 . . 5.500 5.454 5.388 5.513 0.013 14 0 "[ . 1 . 2]" 1
55 1 4 ASP HA 1 5 PRO HD2 . . 3.180 2.510 2.505 2.512 . 0 0 "[ . 1 . 2]" 1
56 1 4 ASP HA 1 5 PRO HD3 . . 3.240 2.346 2.344 2.348 . 0 0 "[ . 1 . 2]" 1
57 1 4 ASP HA 1 5 PRO HG2 . . 4.660 4.602 4.599 4.604 . 0 0 "[ . 1 . 2]" 1
58 1 4 ASP HA 1 5 PRO HG3 . . 4.660 4.540 4.538 4.542 . 0 0 "[ . 1 . 2]" 1
59 1 4 ASP HA 1 6 ASN H . . 5.190 4.420 4.296 4.586 . 0 0 "[ . 1 . 2]" 1
60 1 4 ASP HA 1 7 ALA MB . . 4.810 4.221 4.004 4.373 . 0 0 "[ . 1 . 2]" 1
61 1 4 ASP HB2 1 5 PRO HD2 . . 4.620 3.645 3.629 3.657 . 0 0 "[ . 1 . 2]" 1
62 1 4 ASP HB2 1 7 ALA H . . 4.750 4.562 4.101 4.751 0.001 9 0 "[ . 1 . 2]" 1
63 1 4 ASP HB2 1 7 ALA MB . . 3.040 2.490 1.987 2.750 . 0 0 "[ . 1 . 2]" 1
64 1 4 ASP HB2 1 9 TYR QE . . 5.070 4.751 4.363 4.969 . 0 0 "[ . 1 . 2]" 1
65 1 4 ASP HB3 1 5 PRO HD2 . . 3.970 2.229 2.114 2.346 . 0 0 "[ . 1 . 2]" 1
66 1 4 ASP HB3 1 5 PRO HD3 . . 4.970 3.632 3.539 3.725 . 0 0 "[ . 1 . 2]" 1
67 1 4 ASP HB3 1 6 ASN H . . 3.390 2.674 2.510 2.908 . 0 0 "[ . 1 . 2]" 1
68 1 4 ASP HB3 1 7 ALA H . . 4.100 3.823 3.485 4.099 . 0 0 "[ . 1 . 2]" 1
69 1 4 ASP HB3 1 7 ALA MB . . 3.620 2.901 2.519 3.195 . 0 0 "[ . 1 . 2]" 1
70 1 4 ASP HB3 1 9 TYR QE . . 5.500 5.459 5.161 5.504 0.004 16 0 "[ . 1 . 2]" 1
71 1 5 PRO HA 1 7 ALA H . . 4.240 3.892 3.764 4.254 0.014 4 0 "[ . 1 . 2]" 1
72 1 5 PRO QB 1 6 ASN H . . 4.060 3.028 2.853 3.159 . 0 0 "[ . 1 . 2]" 1
73 1 5 PRO HD2 1 6 ASN H . . 3.320 2.677 2.648 2.741 . 0 0 "[ . 1 . 2]" 1
74 1 5 PRO HD2 1 6 ASN QD . . 4.100 3.755 3.219 4.098 . 0 0 "[ . 1 . 2]" 1
75 1 5 PRO QG 1 6 ASN H . . 3.740 2.129 1.938 2.288 . 0 0 "[ . 1 . 2]" 1
76 1 5 PRO QG 1 6 ASN QD . . 4.200 2.635 1.962 4.200 0.000 9 0 "[ . 1 . 2]" 1
77 1 6 ASN H 1 6 ASN HB2 . . 3.810 3.154 2.417 3.665 . 0 0 "[ . 1 . 2]" 1
78 1 6 ASN H 1 6 ASN QB . . 3.020 2.701 2.384 2.951 . 0 0 "[ . 1 . 2]" 1
79 1 6 ASN H 1 6 ASN HB3 . . 3.810 3.291 2.877 3.738 . 0 0 "[ . 1 . 2]" 1
80 1 6 ASN H 1 6 ASN QD . . 3.930 2.791 2.313 3.204 . 0 0 "[ . 1 . 2]" 1
81 1 6 ASN H 1 7 ALA H . . 3.150 3.105 2.940 3.160 0.010 2 0 "[ . 1 . 2]" 1
82 1 6 ASN H 1 7 ALA MB . . 4.160 3.979 3.923 4.045 . 0 0 "[ . 1 . 2]" 1
83 1 6 ASN HA 1 7 ALA H . . 3.110 2.765 2.667 2.871 . 0 0 "[ . 1 . 2]" 1
84 1 6 ASN QB 1 6 ASN QD . . 2.960 2.124 2.064 2.361 . 0 0 "[ . 1 . 2]" 1
85 1 6 ASN QB 1 7 ALA H . . 4.370 3.957 3.826 4.040 . 0 0 "[ . 1 . 2]" 1
86 1 6 ASN HB2 1 7 ALA H . . 5.020 4.333 4.149 4.437 . 0 0 "[ . 1 . 2]" 1
87 1 6 ASN HB3 1 7 ALA H . . 5.020 4.575 4.433 4.662 . 0 0 "[ . 1 . 2]" 1
88 1 7 ALA H 1 7 ALA MB . . 2.860 2.436 2.263 2.542 . 0 0 "[ . 1 . 2]" 1
89 1 7 ALA H 1 8 LEU MD2 . . 5.450 4.310 4.155 4.579 . 0 0 "[ . 1 . 2]" 1
90 1 7 ALA H 1 8 LEU HG . . 5.500 5.087 4.896 5.222 . 0 0 "[ . 1 . 2]" 1
91 1 7 ALA H 1 15 PRO HA . . 4.070 3.971 3.683 4.075 0.005 4 0 "[ . 1 . 2]" 1
92 1 7 ALA H 1 16 HIS H . . 5.060 4.696 4.358 4.966 . 0 0 "[ . 1 . 2]" 1
93 1 7 ALA HA 1 8 LEU H . . 2.760 2.483 2.387 2.545 . 0 0 "[ . 1 . 2]" 1
94 1 7 ALA HA 1 8 LEU MD1 . . 5.500 4.905 4.817 5.031 . 0 0 "[ . 1 . 2]" 1
95 1 7 ALA HA 1 8 LEU MD2 . . 4.680 4.161 4.078 4.250 . 0 0 "[ . 1 . 2]" 1
96 1 7 ALA HA 1 8 LEU HG . . 4.320 3.548 3.479 3.652 . 0 0 "[ . 1 . 2]" 1
97 1 7 ALA MB 1 8 LEU H . . 3.140 2.223 2.123 2.410 . 0 0 "[ . 1 . 2]" 1
98 1 7 ALA MB 1 9 TYR QE . . 3.280 2.566 2.279 2.746 . 0 0 "[ . 1 . 2]" 1
99 1 8 LEU H 1 8 LEU MD1 . . 4.420 4.242 4.168 4.310 . 0 0 "[ . 1 . 2]" 1
100 1 8 LEU H 1 8 LEU MD2 . . 4.030 3.797 3.688 3.881 . 0 0 "[ . 1 . 2]" 1
101 1 8 LEU H 1 8 LEU HG . . 5.500 3.132 3.020 3.236 . 0 0 "[ . 1 . 2]" 1
102 1 8 LEU H 1 9 TYR QE . . 4.310 4.194 3.938 4.316 0.006 12 0 "[ . 1 . 2]" 1
103 1 8 LEU HA 1 8 LEU MD1 . . 3.840 3.846 3.815 3.870 0.030 4 0 "[ . 1 . 2]" 1
104 1 8 LEU HA 1 8 LEU MD2 . . 2.740 2.049 1.959 2.127 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU HA 1 9 TYR H . . 2.780 2.225 2.201 2.249 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU HA 1 9 TYR QD . . 4.230 3.514 3.244 3.797 . 0 0 "[ . 1 . 2]" 1
107 1 8 LEU HA 1 15 PRO HA . . 4.110 4.132 4.115 4.143 0.033 5 0 "[ . 1 . 2]" 1
108 1 8 LEU HB2 1 13 ARG QB . . 4.840 3.884 3.496 4.265 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU HB3 1 8 LEU MD1 . . 2.960 2.277 2.237 2.382 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU HB3 1 8 LEU MD2 . . 2.760 2.335 2.300 2.368 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU HB3 1 9 TYR H . . 5.500 2.905 2.820 2.997 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU HB3 1 13 ARG H . . 5.500 4.586 4.524 4.711 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU HB3 1 13 ARG HA . . 3.850 2.342 2.271 2.469 . 0 0 "[ . 1 . 2]" 1
114 1 8 LEU HB3 1 14 GLN H . . 5.500 3.875 3.807 4.014 . 0 0 "[ . 1 . 2]" 1
115 1 8 LEU MD1 1 13 ARG HA . . 4.750 3.362 3.160 3.527 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU MD1 1 13 ARG QB . . 4.760 1.902 1.877 1.934 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU MD1 1 13 ARG QD . . 5.180 3.552 2.333 4.093 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU MD1 1 13 ARG HE . . 4.760 4.146 2.112 4.784 0.024 15 0 "[ . 1 . 2]" 1
119 1 8 LEU MD1 1 13 ARG QG . . 3.360 2.787 1.932 3.396 0.036 6 0 "[ . 1 . 2]" 1
120 1 8 LEU MD1 1 14 GLN H . . 5.040 4.497 4.270 4.702 . 0 0 "[ . 1 . 2]" 1
121 1 8 LEU MD1 1 14 GLN HA . . 4.270 3.953 3.781 4.160 . 0 0 "[ . 1 . 2]" 1
122 1 8 LEU MD2 1 9 TYR H . . 3.380 3.313 3.230 3.370 . 0 0 "[ . 1 . 2]" 1
123 1 8 LEU MD2 1 9 TYR HA . . 5.500 5.502 5.460 5.538 0.038 7 0 "[ . 1 . 2]" 1
124 1 8 LEU MD2 1 13 ARG H . . 4.670 4.650 4.621 4.675 0.005 14 0 "[ . 1 . 2]" 1
125 1 8 LEU MD2 1 13 ARG HB2 . . 4.990 4.089 3.801 4.422 . 0 0 "[ . 1 . 2]" 1
126 1 8 LEU MD2 1 13 ARG QB . . 4.220 2.970 2.847 3.108 . 0 0 "[ . 1 . 2]" 1
127 1 8 LEU MD2 1 13 ARG HB3 . . 4.990 3.056 2.922 3.176 . 0 0 "[ . 1 . 2]" 1
128 1 8 LEU MD2 1 14 GLN H . . 4.000 2.752 2.670 2.820 . 0 0 "[ . 1 . 2]" 1
129 1 8 LEU MD2 1 14 GLN HA . . 3.150 2.308 2.242 2.375 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU MD2 1 14 GLN HB3 . . 4.480 4.289 4.232 4.335 . 0 0 "[ . 1 . 2]" 1
131 1 8 LEU MD2 1 14 GLN QG . . 4.250 3.712 3.568 4.145 . 0 0 "[ . 1 . 2]" 1
132 1 8 LEU MD2 1 15 PRO HA . . 4.100 3.332 3.235 3.474 . 0 0 "[ . 1 . 2]" 1
133 1 8 LEU MD2 1 15 PRO QB . . 4.550 3.735 3.680 3.784 . 0 0 "[ . 1 . 2]" 1
134 1 8 LEU MD2 1 15 PRO HD2 . . 4.060 3.904 3.832 3.952 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU MD2 1 15 PRO HD3 . . 3.200 2.896 2.801 2.944 . 0 0 "[ . 1 . 2]" 1
136 1 8 LEU MD2 1 15 PRO HG3 . . 4.590 4.551 4.470 4.602 0.012 11 0 "[ . 1 . 2]" 1
137 1 9 TYR H 1 9 TYR HB3 . . 3.970 3.945 3.943 3.947 . 0 0 "[ . 1 . 2]" 1
138 1 9 TYR H 1 9 TYR QD . . 3.770 2.985 2.826 3.195 . 0 0 "[ . 1 . 2]" 1
139 1 9 TYR H 1 14 GLN HA . . 5.500 5.528 5.475 5.556 0.056 14 0 "[ . 1 . 2]" 1
140 1 9 TYR HB2 1 10 CYS H . . 5.500 2.219 2.182 2.251 . 0 0 "[ . 1 . 2]" 1
141 1 9 TYR HB2 1 21 MET ME . . 2.940 2.846 2.720 2.961 0.021 18 0 "[ . 1 . 2]" 1
142 1 9 TYR HB3 1 10 CYS H . . 3.590 3.573 3.530 3.605 0.015 20 0 "[ . 1 . 2]" 1
143 1 9 TYR HB3 1 10 CYS HA . . 4.760 4.619 4.588 4.676 . 0 0 "[ . 1 . 2]" 1
144 1 9 TYR QD 1 10 CYS H . . 3.840 3.341 3.225 3.414 . 0 0 "[ . 1 . 2]" 1
145 1 9 TYR QD 1 16 HIS H . . 4.990 4.923 4.821 5.005 0.015 7 0 "[ . 1 . 2]" 1
146 1 9 TYR QD 1 21 MET ME . . 3.480 3.033 2.557 3.346 . 0 0 "[ . 1 . 2]" 1
147 1 9 TYR QD 1 29 GLU HA . . 5.480 3.602 3.389 3.837 . 0 0 "[ . 1 . 2]" 1
148 1 9 TYR QD 1 30 TRP H . . 3.730 3.322 3.134 3.557 . 0 0 "[ . 1 . 2]" 1
149 1 9 TYR QE 1 15 PRO HA . . 4.700 4.668 4.568 4.709 0.009 9 0 "[ . 1 . 2]" 1
150 1 9 TYR QE 1 16 HIS H . . 4.370 4.349 4.148 4.383 0.013 20 0 "[ . 1 . 2]" 1
151 1 9 TYR QE 1 16 HIS HB3 . . 5.310 3.942 3.560 4.152 . 0 0 "[ . 1 . 2]" 1
152 1 9 TYR QE 1 21 MET ME . . 5.310 4.761 4.285 5.083 . 0 0 "[ . 1 . 2]" 1
153 1 9 TYR QE 1 29 GLU HA . . 5.500 4.741 4.613 4.914 . 0 0 "[ . 1 . 2]" 1
154 1 9 TYR QE 1 30 TRP H . . 5.270 4.903 4.775 5.087 . 0 0 "[ . 1 . 2]" 1
155 1 10 CYS H 1 10 CYS HA . . 2.940 2.740 2.732 2.748 . 0 0 "[ . 1 . 2]" 1
156 1 10 CYS H 1 10 CYS HB2 . . 3.670 2.355 2.330 2.387 . 0 0 "[ . 1 . 2]" 1
157 1 10 CYS H 1 10 CYS HB3 . . 2.740 2.730 2.687 2.764 0.024 4 0 "[ . 1 . 2]" 1
158 1 10 CYS H 1 11 ILE H . . 4.770 4.648 4.647 4.649 . 0 0 "[ . 1 . 2]" 1
159 1 10 CYS H 1 21 MET ME . . 5.310 2.809 2.700 2.951 . 0 0 "[ . 1 . 2]" 1
160 1 10 CYS H 1 29 GLU HB3 . . 5.500 5.555 5.541 5.583 0.083 14 0 "[ . 1 . 2]" 1
161 1 10 CYS H 1 30 TRP H . . 4.630 4.634 4.590 4.667 0.037 5 0 "[ . 1 . 2]" 1
162 1 10 CYS H 1 31 PHE HA . . 4.180 3.839 3.655 4.136 . 0 0 "[ . 1 . 2]" 1
163 1 10 CYS H 1 32 HIS H . . 5.500 5.234 4.844 5.505 0.005 1 0 "[ . 1 . 2]" 1
164 1 10 CYS HA 1 11 ILE H . . 3.400 2.335 2.321 2.343 . 0 0 "[ . 1 . 2]" 1
165 1 10 CYS HA 1 31 PHE HA . . 3.620 2.739 2.648 2.872 . 0 0 "[ . 1 . 2]" 1
166 1 10 CYS HA 1 31 PHE QD . . 3.260 2.765 2.640 2.907 . 0 0 "[ . 1 . 2]" 1
167 1 10 CYS HA 1 31 PHE QE . . 4.020 3.600 3.537 3.642 . 0 0 "[ . 1 . 2]" 1
168 1 10 CYS HA 1 32 HIS H . . 4.570 4.084 3.957 4.179 . 0 0 "[ . 1 . 2]" 1
169 1 10 CYS HB2 1 11 ILE H . . 4.360 3.960 3.946 3.971 . 0 0 "[ . 1 . 2]" 1
170 1 10 CYS HB2 1 12 CYS H . . 4.520 4.446 4.416 4.471 . 0 0 "[ . 1 . 2]" 1
171 1 10 CYS HB2 1 14 GLN H . . 4.670 4.096 4.036 4.191 . 0 0 "[ . 1 . 2]" 1
172 1 10 CYS HB2 1 21 MET ME . . 3.220 2.102 2.022 2.156 . 0 0 "[ . 1 . 2]" 1
173 1 10 CYS HB2 1 31 PHE HA . . 2.910 2.563 2.462 2.730 . 0 0 "[ . 1 . 2]" 1
174 1 10 CYS HB2 1 31 PHE HB3 . . 5.500 4.654 4.515 4.871 . 0 0 "[ . 1 . 2]" 1
175 1 10 CYS HB2 1 32 HIS H . . 3.380 3.077 2.612 3.409 0.029 1 0 "[ . 1 . 2]" 1
176 1 10 CYS HB2 1 32 HIS HE1 . . 3.990 3.978 3.917 4.026 0.036 6 0 "[ . 1 . 2]" 1
177 1 10 CYS HB3 1 11 ILE H . . 4.390 3.621 3.580 3.681 . 0 0 "[ . 1 . 2]" 1
178 1 10 CYS HB3 1 12 CYS H . . 3.570 3.122 3.066 3.203 . 0 0 "[ . 1 . 2]" 1
179 1 10 CYS HB3 1 32 HIS H . . 5.260 4.296 3.936 4.564 . 0 0 "[ . 1 . 2]" 1
180 1 10 CYS HB3 1 32 HIS HE1 . . 3.930 3.540 3.427 3.616 . 0 0 "[ . 1 . 2]" 1
181 1 11 ILE H 1 11 ILE HB . . 3.740 3.611 3.609 3.613 . 0 0 "[ . 1 . 2]" 1
182 1 11 ILE H 1 11 ILE MD . . 4.480 3.539 3.524 3.561 . 0 0 "[ . 1 . 2]" 1
183 1 11 ILE H 1 11 ILE HG12 . . 3.090 1.968 1.938 2.029 . 0 0 "[ . 1 . 2]" 1
184 1 11 ILE H 1 11 ILE HG13 . . 3.680 3.196 3.144 3.271 . 0 0 "[ . 1 . 2]" 1
185 1 11 ILE H 1 11 ILE MG . . 3.490 2.425 2.375 2.452 . 0 0 "[ . 1 . 2]" 1
186 1 11 ILE H 1 12 CYS H . . 3.020 2.751 2.736 2.764 . 0 0 "[ . 1 . 2]" 1
187 1 11 ILE H 1 13 ARG H . . 5.280 3.965 3.952 3.985 . 0 0 "[ . 1 . 2]" 1
188 1 11 ILE H 1 31 PHE HB3 . . 4.840 4.811 4.735 4.871 0.031 8 0 "[ . 1 . 2]" 1
189 1 11 ILE H 1 31 PHE QD . . 3.290 2.928 2.813 3.015 . 0 0 "[ . 1 . 2]" 1
190 1 11 ILE H 1 31 PHE QE . . 4.180 3.578 3.443 3.680 . 0 0 "[ . 1 . 2]" 1
191 1 11 ILE H 1 35 CYS HB2 . . 4.990 4.947 4.903 4.995 0.005 2 0 "[ . 1 . 2]" 1
192 1 11 ILE H 1 35 CYS HB3 . . 5.070 4.660 4.565 4.722 . 0 0 "[ . 1 . 2]" 1
193 1 11 ILE H 1 36 VAL MG1 . . 5.420 5.179 5.116 5.261 . 0 0 "[ . 1 . 2]" 1
194 1 11 ILE HA 1 11 ILE MD . . 4.520 4.173 4.157 4.180 . 0 0 "[ . 1 . 2]" 1
195 1 11 ILE HA 1 11 ILE HG12 . . 3.700 3.669 3.661 3.683 . 0 0 "[ . 1 . 2]" 1
196 1 11 ILE HA 1 11 ILE MG . . 3.120 2.174 2.155 2.208 . 0 0 "[ . 1 . 2]" 1
197 1 11 ILE HB 1 11 ILE MD . . 3.390 2.461 2.422 2.476 . 0 0 "[ . 1 . 2]" 1
198 1 11 ILE HB 1 12 CYS H . . 3.910 3.696 3.664 3.752 . 0 0 "[ . 1 . 2]" 1
199 1 11 ILE MD 1 11 ILE MG . . 3.640 1.987 1.944 2.065 . 0 0 "[ . 1 . 2]" 1
200 1 11 ILE MD 1 12 CYS HA . . 5.470 4.785 4.744 4.803 . 0 0 "[ . 1 . 2]" 1
201 1 11 ILE MD 1 12 CYS HB3 . . 5.350 4.245 4.200 4.271 . 0 0 "[ . 1 . 2]" 1
202 1 11 ILE MD 1 31 PHE QD . . 4.400 4.380 4.285 4.406 0.006 4 0 "[ . 1 . 2]" 1
203 1 11 ILE MD 1 31 PHE QE . . 4.990 4.888 4.680 4.991 0.001 12 0 "[ . 1 . 2]" 1
204 1 11 ILE MD 1 35 CYS H . . 5.500 5.528 5.515 5.549 0.049 20 0 "[ . 1 . 2]" 1
205 1 11 ILE MD 1 35 CYS HA . . 5.030 3.990 3.895 4.063 . 0 0 "[ . 1 . 2]" 1
206 1 11 ILE MD 1 35 CYS HB2 . . 4.420 3.854 3.787 3.946 . 0 0 "[ . 1 . 2]" 1
207 1 11 ILE MD 1 35 CYS HB3 . . 3.590 2.394 2.333 2.455 . 0 0 "[ . 1 . 2]" 1
208 1 11 ILE MD 1 36 VAL HA . . 5.500 4.918 4.720 5.043 . 0 0 "[ . 1 . 2]" 1
209 1 11 ILE MD 1 56 PRO QG . . 5.210 4.617 4.503 4.691 . 0 0 "[ . 1 . 2]" 1
210 1 11 ILE HG12 1 12 CYS HA . . 5.500 4.920 4.823 4.982 . 0 0 "[ . 1 . 2]" 1
211 1 11 ILE HG12 1 31 PHE QD . . 5.500 3.792 3.700 3.808 . 0 0 "[ . 1 . 2]" 1
212 1 11 ILE HG12 1 31 PHE QE . . 4.960 4.778 4.637 4.847 . 0 0 "[ . 1 . 2]" 1
213 1 11 ILE HG12 1 35 CYS HB2 . . 5.100 3.997 3.916 4.077 . 0 0 "[ . 1 . 2]" 1
214 1 11 ILE HG13 1 12 CYS HA . . 4.570 3.493 3.427 3.533 . 0 0 "[ . 1 . 2]" 1
215 1 11 ILE HG13 1 31 PHE QD . . 5.500 5.499 5.411 5.516 0.016 17 0 "[ . 1 . 2]" 1
216 1 11 ILE MG 1 12 CYS H . . 4.500 4.004 3.979 4.023 . 0 0 "[ . 1 . 2]" 1
217 1 11 ILE MG 1 31 PHE HB3 . . 5.500 5.105 5.038 5.185 . 0 0 "[ . 1 . 2]" 1
218 1 11 ILE MG 1 31 PHE QD . . 3.470 3.247 3.171 3.304 . 0 0 "[ . 1 . 2]" 1
219 1 11 ILE MG 1 31 PHE QE . . 3.140 2.775 2.604 2.900 . 0 0 "[ . 1 . 2]" 1
220 1 11 ILE MG 1 31 PHE HZ . . 5.110 4.708 4.513 4.854 . 0 0 "[ . 1 . 2]" 1
221 1 11 ILE MG 1 35 CYS HB3 . . 4.830 4.397 4.265 4.501 . 0 0 "[ . 1 . 2]" 1
222 1 11 ILE MG 1 56 PRO HD2 . . 5.490 5.522 5.513 5.537 0.047 16 0 "[ . 1 . 2]" 1
223 1 11 ILE MG 1 57 ASN HD22 . . 4.430 1.948 1.903 1.970 . 0 0 "[ . 1 . 2]" 1
224 1 12 CYS H 1 12 CYS HB2 . . 3.610 3.604 3.600 3.606 . 0 0 "[ . 1 . 2]" 1
225 1 12 CYS H 1 12 CYS HB3 . . 3.810 2.627 2.555 2.670 . 0 0 "[ . 1 . 2]" 1
226 1 12 CYS H 1 13 ARG QD . . 5.340 4.444 4.075 5.305 . 0 0 "[ . 1 . 2]" 1
227 1 12 CYS HA 1 12 CYS HB2 . . 2.960 2.456 2.430 2.477 . 0 0 "[ . 1 . 2]" 1
228 1 12 CYS HA 1 12 CYS HB3 . . 3.000 2.449 2.429 2.475 . 0 0 "[ . 1 . 2]" 1
229 1 12 CYS HB2 1 14 GLN QG . . 4.100 3.255 3.162 3.322 . 0 0 "[ . 1 . 2]" 1
230 1 12 CYS HB2 1 32 HIS HE1 . . 5.500 5.396 5.293 5.508 0.008 12 0 "[ . 1 . 2]" 1
231 1 12 CYS HB3 1 13 ARG H . . 5.230 4.217 4.170 4.248 . 0 0 "[ . 1 . 2]" 1
232 1 12 CYS HB3 1 14 GLN QG . . 4.720 4.633 4.482 4.721 0.001 4 0 "[ . 1 . 2]" 1
233 1 13 ARG H 1 13 ARG HA . . 2.640 2.274 2.274 2.275 . 0 0 "[ . 1 . 2]" 1
234 1 13 ARG H 1 13 ARG QD . . 3.260 2.761 2.481 3.267 0.007 14 0 "[ . 1 . 2]" 1
235 1 13 ARG H 1 14 GLN H . . 3.390 3.021 2.988 3.051 . 0 0 "[ . 1 . 2]" 1
236 1 13 ARG H 1 14 GLN QG . . 4.910 4.804 4.604 4.899 . 0 0 "[ . 1 . 2]" 1
237 1 13 ARG HA 1 13 ARG HD2 . . 3.910 2.583 2.000 3.846 . 0 0 "[ . 1 . 2]" 1
238 1 13 ARG HA 1 13 ARG QD . . 3.200 2.404 1.975 2.902 . 0 0 "[ . 1 . 2]" 1
239 1 13 ARG HA 1 13 ARG HD3 . . 3.910 3.285 2.149 3.896 . 0 0 "[ . 1 . 2]" 1
240 1 13 ARG HA 1 13 ARG HE . . 4.730 4.472 3.139 4.736 0.006 17 0 "[ . 1 . 2]" 1
241 1 13 ARG HA 1 13 ARG QG . . 3.490 2.627 2.177 3.095 . 0 0 "[ . 1 . 2]" 1
242 1 13 ARG HA 1 14 GLN H . . 2.990 2.441 2.437 2.444 . 0 0 "[ . 1 . 2]" 1
243 1 13 ARG HA 1 14 GLN QG . . 4.940 4.880 4.675 4.957 0.017 7 0 "[ . 1 . 2]" 1
244 1 13 ARG QB 1 13 ARG QD . . 2.860 2.304 2.126 2.711 . 0 0 "[ . 1 . 2]" 1
245 1 13 ARG QB 1 13 ARG QG . . 2.370 2.004 1.987 2.018 . 0 0 "[ . 1 . 2]" 1
246 1 13 ARG HB2 1 14 GLN H . . 5.500 4.504 4.416 4.585 . 0 0 "[ . 1 . 2]" 1
247 1 13 ARG HB3 1 14 GLN H . . 5.500 4.266 4.244 4.298 . 0 0 "[ . 1 . 2]" 1
248 1 13 ARG HE 1 13 ARG HG2 . . 4.020 3.044 2.432 4.019 . 0 0 "[ . 1 . 2]" 1
249 1 13 ARG HE 1 13 ARG QG . . 3.270 2.485 2.073 3.222 . 0 0 "[ . 1 . 2]" 1
250 1 13 ARG HE 1 13 ARG HG3 . . 4.020 2.766 2.098 3.609 . 0 0 "[ . 1 . 2]" 1
251 1 14 GLN H 1 14 GLN QG . . 3.650 3.616 3.502 3.656 0.006 5 0 "[ . 1 . 2]" 1
252 1 14 GLN H 1 15 PRO HD2 . . 4.880 4.794 4.789 4.803 . 0 0 "[ . 1 . 2]" 1
253 1 14 GLN H 1 15 PRO HD3 . . 5.220 4.975 4.945 4.995 . 0 0 "[ . 1 . 2]" 1
254 1 14 GLN H 1 21 MET ME . . 5.500 4.576 4.307 4.873 . 0 0 "[ . 1 . 2]" 1
255 1 14 GLN H 1 32 HIS HE1 . . 3.640 3.468 3.286 3.592 . 0 0 "[ . 1 . 2]" 1
256 1 14 GLN HA 1 14 GLN QE . . 4.330 3.712 3.053 4.324 . 0 0 "[ . 1 . 2]" 1
257 1 14 GLN HA 1 14 GLN QG . . 3.300 2.155 2.081 2.736 . 0 0 "[ . 1 . 2]" 1
258 1 14 GLN HA 1 15 PRO HD2 . . 3.150 2.483 2.452 2.500 . 0 0 "[ . 1 . 2]" 1
259 1 14 GLN HA 1 15 PRO HD3 . . 2.770 2.334 2.320 2.342 . 0 0 "[ . 1 . 2]" 1
260 1 14 GLN HA 1 15 PRO HG2 . . 4.610 4.580 4.555 4.593 . 0 0 "[ . 1 . 2]" 1
261 1 14 GLN HA 1 15 PRO HG3 . . 4.700 4.523 4.504 4.534 . 0 0 "[ . 1 . 2]" 1
262 1 14 GLN HA 1 32 HIS HE1 . . 4.790 4.476 4.326 4.580 . 0 0 "[ . 1 . 2]" 1
263 1 14 GLN HB2 1 15 PRO HD2 . . 3.850 3.648 3.594 3.698 . 0 0 "[ . 1 . 2]" 1
264 1 14 GLN HB2 1 32 HIS HE1 . . 5.500 1.996 1.991 1.999 . 0 0 "[ . 1 . 2]" 1
265 1 14 GLN HB2 1 32 HIS HE2 . . 4.810 4.287 4.228 4.325 . 0 0 "[ . 1 . 2]" 1
266 1 14 GLN HB3 1 15 PRO HD2 . . 3.010 2.117 1.998 2.182 . 0 0 "[ . 1 . 2]" 1
267 1 14 GLN HB3 1 15 PRO HD3 . . 3.700 3.542 3.445 3.596 . 0 0 "[ . 1 . 2]" 1
268 1 14 GLN HB3 1 15 PRO HG2 . . 3.970 3.749 3.677 3.800 . 0 0 "[ . 1 . 2]" 1
269 1 14 GLN HB3 1 32 HIS HE1 . . 3.490 2.541 2.467 2.705 . 0 0 "[ . 1 . 2]" 1
270 1 14 GLN HB3 1 32 HIS HE2 . . 5.500 3.886 3.700 4.109 . 0 0 "[ . 1 . 2]" 1
271 1 14 GLN QG 1 15 PRO HD2 . . 3.880 2.878 2.438 3.341 . 0 0 "[ . 1 . 2]" 1
272 1 14 GLN QG 1 32 HIS HE1 . . 4.080 3.801 3.625 3.946 . 0 0 "[ . 1 . 2]" 1
273 1 15 PRO HA 1 16 HIS H . . 3.360 2.259 2.244 2.267 . 0 0 "[ . 1 . 2]" 1
274 1 15 PRO HA 1 16 HIS HB3 . . 4.830 4.321 4.303 4.338 . 0 0 "[ . 1 . 2]" 1
275 1 15 PRO HA 1 17 ASN H . . 5.240 3.732 3.721 3.745 . 0 0 "[ . 1 . 2]" 1
276 1 15 PRO QB 1 17 ASN H . . 3.500 2.161 2.141 2.207 . 0 0 "[ . 1 . 2]" 1
277 1 15 PRO QB 1 17 ASN QD . . 3.750 2.081 1.886 2.154 . 0 0 "[ . 1 . 2]" 1
278 1 15 PRO HB2 1 16 HIS H . . 3.790 3.016 2.993 3.065 . 0 0 "[ . 1 . 2]" 1
279 1 15 PRO HB3 1 16 HIS H . . 3.790 3.675 3.661 3.704 . 0 0 "[ . 1 . 2]" 1
280 1 15 PRO HD2 1 17 ASN QD . . 4.270 4.219 3.896 4.338 0.068 10 0 "[ . 1 . 2]" 1
281 1 15 PRO HD2 1 32 HIS HE1 . . 5.240 4.553 4.485 4.627 . 0 0 "[ . 1 . 2]" 1
282 1 15 PRO HG2 1 17 ASN QD . . 4.440 2.227 1.934 2.332 . 0 0 "[ . 1 . 2]" 1
283 1 15 PRO HG3 1 16 HIS H . . 5.400 5.365 5.350 5.396 . 0 0 "[ . 1 . 2]" 1
284 1 15 PRO HG3 1 17 ASN H . . 5.500 4.652 4.614 4.739 . 0 0 "[ . 1 . 2]" 1
285 1 15 PRO HG3 1 17 ASN QD . . 4.870 2.503 2.406 2.777 . 0 0 "[ . 1 . 2]" 1
286 1 16 HIS H 1 16 HIS HB2 . . 3.670 3.604 3.599 3.607 . 0 0 "[ . 1 . 2]" 1
287 1 16 HIS H 1 16 HIS HB3 . . 3.410 2.425 2.402 2.445 . 0 0 "[ . 1 . 2]" 1
288 1 16 HIS H 1 17 ASN H . . 3.920 2.508 2.484 2.520 . 0 0 "[ . 1 . 2]" 1
289 1 16 HIS HA 1 21 MET ME . . 4.220 3.982 3.873 4.211 . 0 0 "[ . 1 . 2]" 1
290 1 16 HIS HA 1 32 HIS HE2 . . 3.450 2.936 2.740 3.090 . 0 0 "[ . 1 . 2]" 1
291 1 16 HIS HB2 1 17 ASN H . . 4.520 4.399 4.356 4.423 . 0 0 "[ . 1 . 2]" 1
292 1 16 HIS HB2 1 18 ASN H . . 5.460 4.881 4.807 5.050 . 0 0 "[ . 1 . 2]" 1
293 1 16 HIS HB2 1 21 MET HB2 . . 4.170 3.046 2.509 3.284 . 0 0 "[ . 1 . 2]" 1
294 1 16 HIS HB2 1 21 MET ME . . 4.280 4.317 4.309 4.332 0.052 6 0 "[ . 1 . 2]" 1
295 1 16 HIS HB2 1 21 MET HG2 . . 5.280 4.534 4.096 4.766 . 0 0 "[ . 1 . 2]" 1
296 1 16 HIS HB2 1 21 MET HG3 . . 4.040 3.269 2.588 3.628 . 0 0 "[ . 1 . 2]" 1
297 1 16 HIS HB3 1 17 ASN H . . 4.110 4.172 4.148 4.192 0.082 1 0 "[ . 1 . 2]" 1
298 1 16 HIS HB3 1 18 ASN H . . 5.500 5.538 5.413 5.589 0.089 6 0 "[ . 1 . 2]" 1
299 1 17 ASN H 1 17 ASN HA . . 2.890 2.889 2.837 2.909 0.019 6 0 "[ . 1 . 2]" 1
300 1 17 ASN H 1 17 ASN HB2 . . 4.160 3.573 3.542 3.585 . 0 0 "[ . 1 . 2]" 1
301 1 17 ASN H 1 17 ASN HB3 . . 4.160 2.798 2.266 2.982 . 0 0 "[ . 1 . 2]" 1
302 1 17 ASN H 1 18 ASN H . . 3.870 3.039 2.576 3.218 . 0 0 "[ . 1 . 2]" 1
303 1 17 ASN QB 1 17 ASN QD . . 3.070 2.424 2.381 2.547 . 0 0 "[ . 1 . 2]" 1
304 1 18 ASN H 1 18 ASN QB . . 3.610 2.434 2.137 2.572 . 0 0 "[ . 1 . 2]" 1
305 1 18 ASN H 1 19 ARG H . . 3.560 2.793 2.655 3.054 . 0 0 "[ . 1 . 2]" 1
306 1 18 ASN HA 1 18 ASN QD . . 3.940 3.578 2.044 3.932 . 0 0 "[ . 1 . 2]" 1
307 1 18 ASN QB 1 18 ASN QD . . 3.070 2.171 2.068 2.567 . 0 0 "[ . 1 . 2]" 1
308 1 18 ASN QB 1 19 ARG H . . 4.150 2.042 1.956 2.103 . 0 0 "[ . 1 . 2]" 1
309 1 18 ASN QB 1 19 ARG QG . . 3.850 3.026 2.558 3.510 . 0 0 "[ . 1 . 2]" 1
310 1 19 ARG H 1 19 ARG QB . . 3.540 2.817 2.625 3.088 . 0 0 "[ . 1 . 2]" 1
311 1 19 ARG H 1 19 ARG QD . . 4.220 3.067 2.416 4.221 0.001 5 0 "[ . 1 . 2]" 1
312 1 19 ARG H 1 19 ARG HG2 . . 5.500 3.306 2.104 4.349 . 0 0 "[ . 1 . 2]" 1
313 1 19 ARG H 1 19 ARG HG3 . . 5.500 3.267 2.235 3.904 . 0 0 "[ . 1 . 2]" 1
314 1 19 ARG H 1 20 PHE H . . 5.010 4.407 4.353 4.459 . 0 0 "[ . 1 . 2]" 1
315 1 19 ARG HA 1 19 ARG HE . . 5.300 5.006 3.979 5.319 0.019 6 0 "[ . 1 . 2]" 1
316 1 19 ARG HA 1 20 PHE H . . 2.800 2.622 2.511 2.716 . 0 0 "[ . 1 . 2]" 1
317 1 19 ARG QB 1 19 ARG QD . . 3.230 2.220 1.990 2.435 . 0 0 "[ . 1 . 2]" 1
318 1 19 ARG QB 1 19 ARG HE . . 3.410 2.552 2.250 2.968 . 0 0 "[ . 1 . 2]" 1
319 1 19 ARG QB 1 20 PHE H . . 3.230 2.057 1.924 2.196 . 0 0 "[ . 1 . 2]" 1
320 1 19 ARG QB 1 32 HIS HB3 . . 5.340 4.633 3.874 5.246 . 0 0 "[ . 1 . 2]" 1
321 1 19 ARG QB 1 32 HIS HD2 . . 4.530 3.726 2.802 4.457 . 0 0 "[ . 1 . 2]" 1
322 1 19 ARG HB2 1 19 ARG HE . . 4.010 2.858 2.268 3.975 . 0 0 "[ . 1 . 2]" 1
323 1 19 ARG HB3 1 19 ARG HE . . 4.010 3.103 2.601 3.818 . 0 0 "[ . 1 . 2]" 1
324 1 19 ARG QD 1 19 ARG QG . . 2.350 2.016 1.989 2.029 . 0 0 "[ . 1 . 2]" 1
325 1 19 ARG QD 1 32 HIS HD2 . . 4.530 3.733 2.805 4.459 . 0 0 "[ . 1 . 2]" 1
326 1 19 ARG QD 1 32 HIS HE2 . . 4.870 4.067 3.524 4.902 0.032 11 0 "[ . 1 . 2]" 1
327 1 19 ARG HE 1 19 ARG HG2 . . 4.030 3.069 2.213 3.624 . 0 0 "[ . 1 . 2]" 1
328 1 19 ARG HE 1 19 ARG QG . . 3.370 2.537 2.191 3.287 . 0 0 "[ . 1 . 2]" 1
329 1 19 ARG HE 1 19 ARG HG3 . . 4.030 3.193 2.248 4.000 . 0 0 "[ . 1 . 2]" 1
330 1 19 ARG HE 1 32 HIS HB3 . . 4.890 4.539 3.493 4.920 0.030 6 0 "[ . 1 . 2]" 1
331 1 19 ARG QG 1 20 PHE H . . 3.940 3.483 2.675 3.938 . 0 0 "[ . 1 . 2]" 1
332 1 20 PHE H 1 20 PHE HB2 . . 3.130 2.628 2.557 2.705 . 0 0 "[ . 1 . 2]" 1
333 1 20 PHE H 1 20 PHE HB3 . . 2.980 2.440 2.369 2.508 . 0 0 "[ . 1 . 2]" 1
334 1 20 PHE H 1 20 PHE QD . . 4.240 4.167 4.132 4.185 . 0 0 "[ . 1 . 2]" 1
335 1 20 PHE HA 1 20 PHE QD . . 3.090 2.947 2.854 3.029 . 0 0 "[ . 1 . 2]" 1
336 1 20 PHE HA 1 21 MET H . . 2.690 2.256 2.227 2.259 . 0 0 "[ . 1 . 2]" 1
337 1 20 PHE HB2 1 21 MET H . . 4.230 3.900 3.867 3.974 . 0 0 "[ . 1 . 2]" 1
338 1 20 PHE HB2 1 40 GLU QB . . 4.010 3.778 3.549 4.014 0.004 2 0 "[ . 1 . 2]" 1
339 1 20 PHE HB2 1 40 GLU QG . . 4.380 3.235 2.147 4.313 . 0 0 "[ . 1 . 2]" 1
340 1 20 PHE HB3 1 21 MET H . . 4.610 3.996 3.957 4.043 . 0 0 "[ . 1 . 2]" 1
341 1 20 PHE HB3 1 33 GLY H . . 4.840 3.868 3.521 4.118 . 0 0 "[ . 1 . 2]" 1
342 1 20 PHE HB3 1 40 GLU QB . . 5.040 4.148 3.693 4.803 . 0 0 "[ . 1 . 2]" 1
343 1 20 PHE QD 1 21 MET H . . 3.750 3.165 3.093 3.289 . 0 0 "[ . 1 . 2]" 1
344 1 20 PHE QD 1 21 MET HA . . 5.280 3.520 3.264 3.706 . 0 0 "[ . 1 . 2]" 1
345 1 20 PHE QD 1 22 ILE HB . . 4.960 4.407 4.207 4.505 . 0 0 "[ . 1 . 2]" 1
346 1 20 PHE QD 1 22 ILE MD . . 5.500 5.339 5.251 5.454 . 0 0 "[ . 1 . 2]" 1
347 1 20 PHE QD 1 22 ILE MG . . 5.190 4.925 4.723 5.062 . 0 0 "[ . 1 . 2]" 1
348 1 20 PHE QD 1 32 HIS HA . . 5.500 4.292 3.962 4.446 . 0 0 "[ . 1 . 2]" 1
349 1 20 PHE QD 1 33 GLY H . . 3.720 2.386 2.035 2.556 . 0 0 "[ . 1 . 2]" 1
350 1 20 PHE QD 1 33 GLY HA2 . . 3.820 3.442 3.196 3.584 . 0 0 "[ . 1 . 2]" 1
351 1 20 PHE QD 1 33 GLY HA3 . . 3.100 2.152 1.991 2.259 . 0 0 "[ . 1 . 2]" 1
352 1 20 PHE QD 1 38 ILE HB . . 4.950 4.672 4.563 4.816 . 0 0 "[ . 1 . 2]" 1
353 1 20 PHE QD 1 38 ILE MG . . 4.290 4.293 4.262 4.302 0.012 12 0 "[ . 1 . 2]" 1
354 1 20 PHE QD 1 40 GLU HA . . 4.010 3.577 3.371 3.892 . 0 0 "[ . 1 . 2]" 1
355 1 20 PHE QD 1 40 GLU QB . . 4.160 4.102 3.794 4.166 0.006 15 0 "[ . 1 . 2]" 1
356 1 20 PHE QD 1 40 GLU QG . . 3.520 3.189 2.742 3.521 0.001 15 0 "[ . 1 . 2]" 1
357 1 20 PHE QD 1 43 GLY HA3 . . 5.170 4.870 4.753 4.990 . 0 0 "[ . 1 . 2]" 1
358 1 20 PHE QE 1 21 MET H . . 4.600 3.981 3.940 4.106 . 0 0 "[ . 1 . 2]" 1
359 1 20 PHE QE 1 22 ILE H . . 5.160 4.280 3.982 4.524 . 0 0 "[ . 1 . 2]" 1
360 1 20 PHE QE 1 22 ILE HB . . 3.680 2.590 2.339 2.748 . 0 0 "[ . 1 . 2]" 1
361 1 20 PHE QE 1 22 ILE MD . . 3.990 3.421 3.321 3.546 . 0 0 "[ . 1 . 2]" 1
362 1 20 PHE QE 1 22 ILE HG13 . . 5.160 4.340 4.181 4.499 . 0 0 "[ . 1 . 2]" 1
363 1 20 PHE QE 1 22 ILE MG . . 3.950 3.874 3.705 3.978 0.028 17 0 "[ . 1 . 2]" 1
364 1 20 PHE QE 1 33 GLY H . . 4.470 3.830 3.726 3.885 . 0 0 "[ . 1 . 2]" 1
365 1 20 PHE QE 1 33 GLY HA2 . . 4.010 3.402 3.292 3.478 . 0 0 "[ . 1 . 2]" 1
366 1 20 PHE QE 1 33 GLY HA3 . . 3.450 3.118 3.039 3.189 . 0 0 "[ . 1 . 2]" 1
367 1 20 PHE QE 1 38 ILE HB . . 3.650 3.489 3.346 3.621 . 0 0 "[ . 1 . 2]" 1
368 1 20 PHE QE 1 38 ILE MG . . 3.260 2.795 2.738 2.867 . 0 0 "[ . 1 . 2]" 1
369 1 20 PHE QE 1 40 GLU HA . . 3.850 3.693 3.417 3.796 . 0 0 "[ . 1 . 2]" 1
370 1 20 PHE QE 1 40 GLU QB . . 5.340 4.911 4.498 5.034 . 0 0 "[ . 1 . 2]" 1
371 1 20 PHE QE 1 40 GLU QG . . 4.520 4.017 3.543 4.395 . 0 0 "[ . 1 . 2]" 1
372 1 20 PHE QE 1 43 GLY H . . 4.920 4.257 4.111 4.447 . 0 0 "[ . 1 . 2]" 1
373 1 20 PHE QE 1 43 GLY HA2 . . 5.440 4.274 4.078 4.400 . 0 0 "[ . 1 . 2]" 1
374 1 20 PHE QE 1 43 GLY HA3 . . 3.810 3.037 2.901 3.175 . 0 0 "[ . 1 . 2]" 1
375 1 20 PHE QE 1 44 ARG HB2 . . 4.320 4.143 3.751 4.322 0.002 6 0 "[ . 1 . 2]" 1
376 1 20 PHE QE 1 44 ARG QD . . 4.300 3.771 3.322 4.290 . 0 0 "[ . 1 . 2]" 1
377 1 20 PHE HZ 1 22 ILE HA . . 4.450 3.877 3.620 4.024 . 0 0 "[ . 1 . 2]" 1
378 1 20 PHE HZ 1 22 ILE HB . . 3.900 3.661 3.561 3.739 . 0 0 "[ . 1 . 2]" 1
379 1 20 PHE HZ 1 22 ILE MD . . 3.860 3.635 3.533 3.810 . 0 0 "[ . 1 . 2]" 1
380 1 20 PHE HZ 1 22 ILE MG . . 5.160 5.103 5.022 5.170 0.010 8 0 "[ . 1 . 2]" 1
381 1 20 PHE HZ 1 33 GLY HA3 . . 5.500 5.460 5.251 5.506 0.006 19 0 "[ . 1 . 2]" 1
382 1 20 PHE HZ 1 38 ILE MG . . 3.990 3.698 3.470 3.791 . 0 0 "[ . 1 . 2]" 1
383 1 20 PHE HZ 1 40 GLU HA . . 4.300 4.257 4.150 4.310 0.010 10 0 "[ . 1 . 2]" 1
384 1 20 PHE HZ 1 40 GLU QG . . 5.490 5.307 5.092 5.494 0.004 2 0 "[ . 1 . 2]" 1
385 1 20 PHE HZ 1 43 GLY H . . 5.040 4.064 3.916 4.218 . 0 0 "[ . 1 . 2]" 1
386 1 20 PHE HZ 1 43 GLY HA2 . . 4.360 3.494 3.204 3.658 . 0 0 "[ . 1 . 2]" 1
387 1 20 PHE HZ 1 43 GLY HA3 . . 3.340 2.039 1.996 2.206 . 0 0 "[ . 1 . 2]" 1
388 1 20 PHE HZ 1 44 ARG H . . 5.060 3.884 3.385 4.257 . 0 0 "[ . 1 . 2]" 1
389 1 20 PHE HZ 1 44 ARG HA . . 5.500 4.415 3.976 4.665 . 0 0 "[ . 1 . 2]" 1
390 1 20 PHE HZ 1 44 ARG HB2 . . 5.500 5.073 4.872 5.223 . 0 0 "[ . 1 . 2]" 1
391 1 21 MET H 1 21 MET HG2 . . 4.340 4.246 4.075 4.347 0.007 1 0 "[ . 1 . 2]" 1
392 1 21 MET H 1 21 MET HG3 . . 4.050 3.841 3.722 3.956 . 0 0 "[ . 1 . 2]" 1
393 1 21 MET H 1 22 ILE H . . 5.120 4.388 4.345 4.408 . 0 0 "[ . 1 . 2]" 1
394 1 21 MET H 1 32 HIS HA . . 5.500 4.948 4.756 5.036 . 0 0 "[ . 1 . 2]" 1
395 1 21 MET HA 1 21 MET ME . . 4.160 3.444 3.153 3.644 . 0 0 "[ . 1 . 2]" 1
396 1 21 MET HA 1 21 MET HG2 . . 3.780 2.193 2.144 2.218 . 0 0 "[ . 1 . 2]" 1
397 1 21 MET HA 1 21 MET HG3 . . 4.210 3.124 3.027 3.258 . 0 0 "[ . 1 . 2]" 1
398 1 21 MET HA 1 22 ILE H . . 2.880 2.278 2.234 2.309 . 0 0 "[ . 1 . 2]" 1
399 1 21 MET HA 1 22 ILE HB . . 5.000 4.324 4.305 4.348 . 0 0 "[ . 1 . 2]" 1
400 1 21 MET HA 1 22 ILE MG . . 4.420 3.997 3.965 4.036 . 0 0 "[ . 1 . 2]" 1
401 1 21 MET HA 1 30 TRP HE3 . . 4.870 4.044 3.922 4.090 . 0 0 "[ . 1 . 2]" 1
402 1 21 MET HA 1 33 GLY H . . 3.440 2.646 2.455 2.782 . 0 0 "[ . 1 . 2]" 1
403 1 21 MET HB2 1 22 ILE H . . 4.210 4.088 4.051 4.186 . 0 0 "[ . 1 . 2]" 1
404 1 21 MET HB2 1 30 TRP HE3 . . 3.500 3.422 3.192 3.512 0.012 7 0 "[ . 1 . 2]" 1
405 1 21 MET HB2 1 30 TRP HZ3 . . 3.790 3.814 3.794 3.829 0.039 12 0 "[ . 1 . 2]" 1
406 1 21 MET HB2 1 32 HIS HA . . 4.950 4.739 4.584 4.858 . 0 0 "[ . 1 . 2]" 1
407 1 21 MET HB3 1 21 MET ME . . 2.850 2.662 2.140 2.862 0.012 10 0 "[ . 1 . 2]" 1
408 1 21 MET HB3 1 22 ILE H . . 3.460 2.837 2.761 2.989 . 0 0 "[ . 1 . 2]" 1
409 1 21 MET HB3 1 30 TRP HE3 . . 3.120 2.012 1.971 2.094 . 0 0 "[ . 1 . 2]" 1
410 1 21 MET HB3 1 30 TRP HZ3 . . 4.120 3.408 3.261 3.749 . 0 0 "[ . 1 . 2]" 1
411 1 21 MET HB3 1 31 PHE H . . 4.010 3.587 3.439 3.760 . 0 0 "[ . 1 . 2]" 1
412 1 21 MET HB3 1 32 HIS HA . . 4.360 4.227 3.893 4.392 0.032 15 0 "[ . 1 . 2]" 1
413 1 21 MET HB3 1 33 GLY H . . 5.500 5.261 4.971 5.418 . 0 0 "[ . 1 . 2]" 1
414 1 21 MET ME 1 21 MET HG3 . . 3.650 3.289 3.246 3.378 . 0 0 "[ . 1 . 2]" 1
415 1 21 MET ME 1 22 ILE H . . 4.880 3.325 3.016 3.536 . 0 0 "[ . 1 . 2]" 1
416 1 21 MET ME 1 30 TRP H . . 4.610 4.101 4.018 4.177 . 0 0 "[ . 1 . 2]" 1
417 1 21 MET ME 1 30 TRP QB . . 3.420 2.000 1.919 2.084 . 0 0 "[ . 1 . 2]" 1
418 1 21 MET ME 1 30 TRP HE3 . . 3.990 3.353 3.193 3.445 . 0 0 "[ . 1 . 2]" 1
419 1 21 MET ME 1 30 TRP HZ3 . . 5.500 5.318 5.169 5.402 . 0 0 "[ . 1 . 2]" 1
420 1 21 MET ME 1 31 PHE H . . 4.100 2.515 2.370 2.610 . 0 0 "[ . 1 . 2]" 1
421 1 21 MET ME 1 31 PHE HA . . 4.070 2.443 2.323 2.519 . 0 0 "[ . 1 . 2]" 1
422 1 21 MET ME 1 32 HIS H . . 4.140 2.968 2.194 3.532 . 0 0 "[ . 1 . 2]" 1
423 1 21 MET ME 1 32 HIS HA . . 4.160 3.235 2.867 3.501 . 0 0 "[ . 1 . 2]" 1
424 1 21 MET ME 1 32 HIS HD2 . . 4.290 3.650 3.529 3.880 . 0 0 "[ . 1 . 2]" 1
425 1 21 MET ME 1 32 HIS HE2 . . 4.820 3.598 3.329 4.091 . 0 0 "[ . 1 . 2]" 1
426 1 21 MET HG2 1 32 HIS HA . . 3.560 2.264 2.028 2.427 . 0 0 "[ . 1 . 2]" 1
427 1 21 MET HG2 1 32 HIS HE2 . . 4.780 3.561 3.487 3.656 . 0 0 "[ . 1 . 2]" 1
428 1 21 MET HG2 1 33 GLY H . . 4.940 3.923 3.623 4.130 . 0 0 "[ . 1 . 2]" 1
429 1 21 MET HG3 1 22 ILE H . . 5.210 4.852 4.741 5.004 . 0 0 "[ . 1 . 2]" 1
430 1 21 MET HG3 1 30 TRP HE3 . . 4.940 4.943 4.896 4.975 0.035 18 0 "[ . 1 . 2]" 1
431 1 21 MET HG3 1 32 HIS HA . . 4.430 3.728 3.655 3.751 . 0 0 "[ . 1 . 2]" 1
432 1 21 MET HG3 1 32 HIS HE2 . . 5.500 3.109 2.962 3.361 . 0 0 "[ . 1 . 2]" 1
433 1 21 MET HG3 1 33 GLY H . . 5.360 4.977 4.932 5.027 . 0 0 "[ . 1 . 2]" 1
434 1 22 ILE H 1 22 ILE HB . . 3.780 2.947 2.857 3.010 . 0 0 "[ . 1 . 2]" 1
435 1 22 ILE H 1 22 ILE MD . . 4.890 4.647 4.589 4.690 . 0 0 "[ . 1 . 2]" 1
436 1 22 ILE H 1 22 ILE HG12 . . 5.160 4.588 4.570 4.600 . 0 0 "[ . 1 . 2]" 1
437 1 22 ILE H 1 22 ILE HG13 . . 4.770 4.573 4.546 4.601 . 0 0 "[ . 1 . 2]" 1
438 1 22 ILE H 1 22 ILE MG . . 3.080 2.197 2.184 2.215 . 0 0 "[ . 1 . 2]" 1
439 1 22 ILE H 1 23 CYS H . . 4.700 4.499 4.479 4.529 . 0 0 "[ . 1 . 2]" 1
440 1 22 ILE H 1 30 TRP HE3 . . 3.690 2.950 2.866 3.090 . 0 0 "[ . 1 . 2]" 1
441 1 22 ILE H 1 30 TRP HZ3 . . 4.760 4.062 3.903 4.260 . 0 0 "[ . 1 . 2]" 1
442 1 22 ILE H 1 32 HIS HA . . 3.870 3.545 3.489 3.602 . 0 0 "[ . 1 . 2]" 1
443 1 22 ILE H 1 33 GLY HA2 . . 5.040 4.810 4.427 5.060 0.020 7 0 "[ . 1 . 2]" 1
444 1 22 ILE HA 1 22 ILE HB . . 3.000 2.507 2.500 2.512 . 0 0 "[ . 1 . 2]" 1
445 1 22 ILE HA 1 22 ILE MD . . 3.840 3.612 3.584 3.627 . 0 0 "[ . 1 . 2]" 1
446 1 22 ILE HA 1 22 ILE HG12 . . 3.480 3.182 3.158 3.218 . 0 0 "[ . 1 . 2]" 1
447 1 22 ILE HA 1 22 ILE HG13 . . 3.960 2.269 2.261 2.277 . 0 0 "[ . 1 . 2]" 1
448 1 22 ILE HA 1 22 ILE MG . . 3.720 3.182 3.181 3.184 . 0 0 "[ . 1 . 2]" 1
449 1 22 ILE HA 1 23 CYS H . . 2.890 2.306 2.290 2.317 . 0 0 "[ . 1 . 2]" 1
450 1 22 ILE HA 1 30 TRP HE3 . . 4.060 3.494 3.465 3.537 . 0 0 "[ . 1 . 2]" 1
451 1 22 ILE HA 1 30 TRP HZ3 . . 3.480 2.713 2.596 2.836 . 0 0 "[ . 1 . 2]" 1
452 1 22 ILE HB 1 22 ILE MD . . 3.070 2.316 2.291 2.334 . 0 0 "[ . 1 . 2]" 1
453 1 22 ILE HB 1 23 CYS H . . 4.130 3.965 3.953 3.982 . 0 0 "[ . 1 . 2]" 1
454 1 22 ILE HB 1 30 TRP HE3 . . 5.500 5.155 5.116 5.186 . 0 0 "[ . 1 . 2]" 1
455 1 22 ILE HB 1 30 TRP HZ3 . . 5.240 5.079 4.953 5.225 . 0 0 "[ . 1 . 2]" 1
456 1 22 ILE HB 1 33 GLY H . . 5.170 4.647 4.597 4.718 . 0 0 "[ . 1 . 2]" 1
457 1 22 ILE HB 1 53 TYR QB . . 5.500 5.386 5.339 5.421 . 0 0 "[ . 1 . 2]" 1
458 1 22 ILE MD 1 22 ILE MG . . 3.280 2.277 2.246 2.324 . 0 0 "[ . 1 . 2]" 1
459 1 22 ILE MD 1 23 CYS H . . 4.200 3.735 3.712 3.767 . 0 0 "[ . 1 . 2]" 1
460 1 22 ILE MD 1 31 PHE HB2 . . 5.470 4.924 4.887 4.973 . 0 0 "[ . 1 . 2]" 1
461 1 22 ILE MD 1 31 PHE QD . . 5.500 5.541 5.525 5.558 0.058 17 0 "[ . 1 . 2]" 1
462 1 22 ILE MD 1 33 GLY HA3 . . 5.500 5.378 5.289 5.473 . 0 0 "[ . 1 . 2]" 1
463 1 22 ILE MD 1 36 VAL HB . . 5.500 5.015 4.875 5.257 . 0 0 "[ . 1 . 2]" 1
464 1 22 ILE MD 1 38 ILE HB . . 4.130 3.522 3.399 3.649 . 0 0 "[ . 1 . 2]" 1
465 1 22 ILE MD 1 38 ILE MG . . 3.230 2.448 2.240 2.597 . 0 0 "[ . 1 . 2]" 1
466 1 22 ILE MD 1 43 GLY H . . 5.020 4.533 4.375 4.684 . 0 0 "[ . 1 . 2]" 1
467 1 22 ILE MD 1 43 GLY HA2 . . 4.420 2.764 2.583 3.095 . 0 0 "[ . 1 . 2]" 1
468 1 22 ILE MD 1 43 GLY HA3 . . 4.580 3.170 3.037 3.298 . 0 0 "[ . 1 . 2]" 1
469 1 22 ILE MD 1 46 LEU HB2 . . 4.600 3.733 3.519 3.860 . 0 0 "[ . 1 . 2]" 1
470 1 22 ILE MD 1 46 LEU HB3 . . 4.600 4.407 3.884 4.597 . 0 0 "[ . 1 . 2]" 1
471 1 22 ILE MD 1 46 LEU QD . . 3.480 2.525 1.896 3.139 . 0 0 "[ . 1 . 2]" 1
472 1 22 ILE MD 1 53 TYR H . . 4.540 4.495 4.381 4.542 0.002 12 0 "[ . 1 . 2]" 1
473 1 22 ILE MD 1 53 TYR QB . . 3.290 2.324 2.264 2.376 . 0 0 "[ . 1 . 2]" 1
474 1 22 ILE MD 1 53 TYR QD . . 3.910 2.655 2.642 2.665 . 0 0 "[ . 1 . 2]" 1
475 1 22 ILE MD 1 53 TYR QE . . 4.810 2.932 2.895 2.976 . 0 0 "[ . 1 . 2]" 1
476 1 22 ILE HG12 1 22 ILE MG . . 2.460 2.128 2.103 2.143 . 0 0 "[ . 1 . 2]" 1
477 1 22 ILE HG12 1 23 CYS H . . 3.220 2.386 2.313 2.473 . 0 0 "[ . 1 . 2]" 1
478 1 22 ILE HG12 1 30 TRP HE3 . . 5.500 5.543 5.506 5.572 0.072 7 0 "[ . 1 . 2]" 1
479 1 22 ILE HG12 1 30 TRP HZ3 . . 5.500 5.485 5.376 5.525 0.025 16 0 "[ . 1 . 2]" 1
480 1 22 ILE HG12 1 53 TYR QB . . 3.990 3.151 3.122 3.176 . 0 0 "[ . 1 . 2]" 1
481 1 22 ILE HG12 1 53 TYR QD . . 4.140 2.624 2.559 2.665 . 0 0 "[ . 1 . 2]" 1
482 1 22 ILE HG13 1 22 ILE MG . . 3.560 3.161 3.153 3.165 . 0 0 "[ . 1 . 2]" 1
483 1 22 ILE HG13 1 23 CYS H . . 3.780 2.241 2.200 2.259 . 0 0 "[ . 1 . 2]" 1
484 1 22 ILE HG13 1 53 TYR QD . . 4.190 4.156 4.088 4.192 0.002 20 0 "[ . 1 . 2]" 1
485 1 22 ILE MG 1 23 CYS H . . 4.420 3.505 3.469 3.557 . 0 0 "[ . 1 . 2]" 1
486 1 22 ILE MG 1 24 CYS H . . 5.500 4.290 4.249 4.329 . 0 0 "[ . 1 . 2]" 1
487 1 22 ILE MG 1 30 TRP HE3 . . 5.150 3.955 3.906 4.020 . 0 0 "[ . 1 . 2]" 1
488 1 22 ILE MG 1 31 PHE H . . 3.910 2.462 2.349 2.584 . 0 0 "[ . 1 . 2]" 1
489 1 22 ILE MG 1 31 PHE HB2 . . 3.300 2.145 2.020 2.225 . 0 0 "[ . 1 . 2]" 1
490 1 22 ILE MG 1 31 PHE HB3 . . 3.860 3.384 3.268 3.436 . 0 0 "[ . 1 . 2]" 1
491 1 22 ILE MG 1 31 PHE QD . . 4.010 3.117 3.061 3.170 . 0 0 "[ . 1 . 2]" 1
492 1 22 ILE MG 1 33 GLY H . . 4.310 4.291 4.245 4.335 0.025 17 0 "[ . 1 . 2]" 1
493 1 22 ILE MG 1 33 GLY HA2 . . 3.630 3.465 3.352 3.564 . 0 0 "[ . 1 . 2]" 1
494 1 22 ILE MG 1 33 GLY HA3 . . 4.680 4.660 4.604 4.708 0.028 14 0 "[ . 1 . 2]" 1
495 1 22 ILE MG 1 36 VAL MG2 . . 3.060 2.452 2.339 2.576 . 0 0 "[ . 1 . 2]" 1
496 1 22 ILE MG 1 38 ILE H . . 5.230 4.965 4.851 5.049 . 0 0 "[ . 1 . 2]" 1
497 1 22 ILE MG 1 38 ILE HB . . 3.940 3.763 3.650 3.861 . 0 0 "[ . 1 . 2]" 1
498 1 22 ILE MG 1 38 ILE MD . . 4.740 4.675 4.524 4.757 0.017 10 0 "[ . 1 . 2]" 1
499 1 22 ILE MG 1 43 GLY HA3 . . 5.500 5.473 5.364 5.521 0.021 15 0 "[ . 1 . 2]" 1
500 1 22 ILE MG 1 53 TYR QB . . 4.310 4.208 4.164 4.249 . 0 0 "[ . 1 . 2]" 1
501 1 22 ILE MG 1 53 TYR QD . . 4.130 2.881 2.825 2.930 . 0 0 "[ . 1 . 2]" 1
502 1 22 ILE MG 1 53 TYR QE . . 4.000 2.205 2.162 2.252 . 0 0 "[ . 1 . 2]" 1
503 1 22 ILE MG 1 56 PRO HD3 . . 5.500 5.102 5.042 5.209 . 0 0 "[ . 1 . 2]" 1
504 1 23 CYS H 1 23 CYS HB2 . . 3.370 2.970 2.840 3.009 . 0 0 "[ . 1 . 2]" 1
505 1 23 CYS H 1 23 CYS HG . . 5.470 5.008 4.835 5.189 . 0 0 "[ . 1 . 2]" 1
506 1 23 CYS H 1 24 CYS H . . 5.030 4.410 4.396 4.428 . 0 0 "[ . 1 . 2]" 1
507 1 23 CYS H 1 30 TRP HE3 . . 4.510 4.155 4.127 4.192 . 0 0 "[ . 1 . 2]" 1
508 1 23 CYS H 1 30 TRP HH2 . . 4.730 4.549 4.393 4.696 . 0 0 "[ . 1 . 2]" 1
509 1 23 CYS H 1 30 TRP HZ3 . . 4.100 3.577 3.479 3.664 . 0 0 "[ . 1 . 2]" 1
510 1 23 CYS HA 1 23 CYS HG . . 4.240 2.981 2.716 4.120 . 0 0 "[ . 1 . 2]" 1
511 1 23 CYS HA 1 24 CYS H . . 2.880 2.145 2.142 2.149 . 0 0 "[ . 1 . 2]" 1
512 1 23 CYS HA 1 30 TRP HE3 . . 4.420 3.600 3.560 3.664 . 0 0 "[ . 1 . 2]" 1
513 1 23 CYS HA 1 31 PHE H . . 4.100 3.855 3.804 3.928 . 0 0 "[ . 1 . 2]" 1
514 1 23 CYS HA 1 31 PHE QD . . 4.610 4.262 4.158 4.360 . 0 0 "[ . 1 . 2]" 1
515 1 23 CYS HB2 1 24 CYS H . . 4.510 4.214 4.171 4.294 . 0 0 "[ . 1 . 2]" 1
516 1 23 CYS HB2 1 30 TRP HA . . 4.530 4.463 4.368 4.551 0.021 11 0 "[ . 1 . 2]" 1
517 1 23 CYS HB2 1 30 TRP HD1 . . 5.500 5.415 5.243 5.523 0.023 11 0 "[ . 1 . 2]" 1
518 1 23 CYS HB2 1 30 TRP HE1 . . 4.490 4.275 4.091 4.398 . 0 0 "[ . 1 . 2]" 1
519 1 23 CYS HB2 1 30 TRP HE3 . . 4.290 4.066 4.025 4.146 . 0 0 "[ . 1 . 2]" 1
520 1 23 CYS HB2 1 30 TRP HH2 . . 4.270 3.189 3.133 3.224 . 0 0 "[ . 1 . 2]" 1
521 1 23 CYS HB2 1 30 TRP HZ2 . . 4.350 3.187 3.074 3.270 . 0 0 "[ . 1 . 2]" 1
522 1 23 CYS HB2 1 30 TRP HZ3 . . 4.190 3.645 3.565 3.699 . 0 0 "[ . 1 . 2]" 1
523 1 23 CYS HB3 1 24 CYS H . . 4.740 4.273 4.202 4.310 . 0 0 "[ . 1 . 2]" 1
524 1 23 CYS HB3 1 30 TRP HH2 . . 4.300 4.231 4.160 4.310 0.010 10 0 "[ . 1 . 2]" 1
525 1 23 CYS HB3 1 30 TRP HZ2 . . 4.990 4.638 4.484 4.753 . 0 0 "[ . 1 . 2]" 1
526 1 23 CYS HG 1 24 CYS H . . 4.960 3.244 2.591 4.529 . 0 0 "[ . 1 . 2]" 1
527 1 23 CYS HG 1 28 GLU HA . . 4.900 4.230 3.685 4.904 0.004 10 0 "[ . 1 . 2]" 1
528 1 23 CYS HG 1 30 TRP HE1 . . 5.170 4.176 3.361 5.174 0.004 10 0 "[ . 1 . 2]" 1
529 1 24 CYS H 1 24 CYS HB2 . . 3.320 2.964 2.942 2.989 . 0 0 "[ . 1 . 2]" 1
530 1 24 CYS H 1 24 CYS HB3 . . 3.140 2.442 2.433 2.452 . 0 0 "[ . 1 . 2]" 1
531 1 24 CYS H 1 25 ASP H . . 4.590 4.389 4.367 4.409 . 0 0 "[ . 1 . 2]" 1
532 1 24 CYS H 1 28 GLU H . . 4.930 4.922 4.873 4.937 0.007 16 0 "[ . 1 . 2]" 1
533 1 24 CYS H 1 28 GLU HA . . 4.700 4.580 4.537 4.630 . 0 0 "[ . 1 . 2]" 1
534 1 24 CYS H 1 29 GLU H . . 4.260 3.103 3.059 3.134 . 0 0 "[ . 1 . 2]" 1
535 1 24 CYS H 1 29 GLU HB2 . . 5.310 5.073 4.972 5.129 . 0 0 "[ . 1 . 2]" 1
536 1 24 CYS H 1 30 TRP HA . . 4.210 3.092 3.044 3.160 . 0 0 "[ . 1 . 2]" 1
537 1 24 CYS H 1 31 PHE H . . 4.980 4.624 4.572 4.673 . 0 0 "[ . 1 . 2]" 1
538 1 24 CYS H 1 31 PHE QD . . 4.170 3.425 3.346 3.504 . 0 0 "[ . 1 . 2]" 1
539 1 24 CYS H 1 31 PHE QE . . 3.960 3.898 3.823 3.965 0.005 16 0 "[ . 1 . 2]" 1
540 1 24 CYS H 1 53 TYR QD . . 4.610 4.622 4.596 4.641 0.031 9 0 "[ . 1 . 2]" 1
541 1 24 CYS H 1 53 TYR QE . . 5.500 5.355 5.337 5.373 . 0 0 "[ . 1 . 2]" 1
542 1 24 CYS H 1 55 CYS HB3 . . 5.400 5.420 5.408 5.432 0.032 6 0 "[ . 1 . 2]" 1
543 1 24 CYS HA 1 25 ASP H . . 2.550 2.139 2.138 2.141 . 0 0 "[ . 1 . 2]" 1
544 1 24 CYS HA 1 53 TYR QE . . 4.360 4.371 4.360 4.384 0.024 15 0 "[ . 1 . 2]" 1
545 1 24 CYS HB2 1 25 ASP H . . 4.360 4.241 4.228 4.256 . 0 0 "[ . 1 . 2]" 1
546 1 24 CYS HB2 1 27 CYS H . . 5.060 4.694 4.645 4.721 . 0 0 "[ . 1 . 2]" 1
547 1 24 CYS HB2 1 29 GLU H . . 4.370 4.354 4.306 4.389 0.019 7 0 "[ . 1 . 2]" 1
548 1 24 CYS HB2 1 31 PHE QD . . 4.000 2.732 2.650 2.816 . 0 0 "[ . 1 . 2]" 1
549 1 24 CYS HB2 1 31 PHE QE . . 3.090 2.895 2.838 2.968 . 0 0 "[ . 1 . 2]" 1
550 1 24 CYS HB2 1 55 CYS H . . 3.290 2.609 2.575 2.644 . 0 0 "[ . 1 . 2]" 1
551 1 24 CYS HB2 1 55 CYS HA . . 5.500 4.412 4.381 4.444 . 0 0 "[ . 1 . 2]" 1
552 1 24 CYS HB2 1 55 CYS HB2 . . 4.490 4.518 4.500 4.533 0.043 14 0 "[ . 1 . 2]" 1
553 1 24 CYS HB2 1 55 CYS HB3 . . 2.830 2.810 2.782 2.832 0.002 7 0 "[ . 1 . 2]" 1
554 1 24 CYS HB3 1 25 ASP H . . 4.770 4.330 4.315 4.342 . 0 0 "[ . 1 . 2]" 1
555 1 24 CYS HB3 1 26 ARG H . . 5.130 4.381 4.356 4.394 . 0 0 "[ . 1 . 2]" 1
556 1 24 CYS HB3 1 27 CYS H . . 3.780 3.669 3.581 3.715 . 0 0 "[ . 1 . 2]" 1
557 1 24 CYS HB3 1 28 GLU H . . 3.770 3.824 3.811 3.837 0.067 5 0 "[ . 1 . 2]" 1
558 1 24 CYS HB3 1 29 GLU H . . 3.410 2.645 2.591 2.691 . 0 0 "[ . 1 . 2]" 1
559 1 24 CYS HB3 1 31 PHE QD . . 4.380 3.045 2.976 3.114 . 0 0 "[ . 1 . 2]" 1
560 1 24 CYS HB3 1 31 PHE QE . . 3.280 2.110 2.069 2.142 . 0 0 "[ . 1 . 2]" 1
561 1 24 CYS HB3 1 53 TYR QD . . 5.210 4.817 4.793 4.832 . 0 0 "[ . 1 . 2]" 1
562 1 24 CYS HB3 1 55 CYS HB2 . . 5.460 5.510 5.492 5.527 0.067 3 0 "[ . 1 . 2]" 1
563 1 24 CYS HB3 1 55 CYS HB3 . . 4.080 3.986 3.953 4.013 . 0 0 "[ . 1 . 2]" 1
564 1 25 ASP H 1 25 ASP HB2 . . 3.420 2.166 2.159 2.174 . 0 0 "[ . 1 . 2]" 1
565 1 25 ASP H 1 25 ASP HB3 . . 3.690 3.467 3.459 3.475 . 0 0 "[ . 1 . 2]" 1
566 1 25 ASP H 1 53 TYR H . . 4.680 4.290 4.031 4.421 . 0 0 "[ . 1 . 2]" 1
567 1 25 ASP H 1 53 TYR QB . . 4.640 4.645 4.587 4.655 0.015 9 0 "[ . 1 . 2]" 1
568 1 25 ASP H 1 53 TYR QD . . 4.510 4.428 4.413 4.439 . 0 0 "[ . 1 . 2]" 1
569 1 25 ASP H 1 54 ILE HA . . 4.380 3.906 3.889 3.924 . 0 0 "[ . 1 . 2]" 1
570 1 25 ASP H 1 54 ILE HG13 . . 5.130 4.901 4.871 4.930 . 0 0 "[ . 1 . 2]" 1
571 1 25 ASP H 1 55 CYS H . . 5.480 5.054 5.037 5.066 . 0 0 "[ . 1 . 2]" 1
572 1 25 ASP HB2 1 52 ASP HA . . 4.290 3.862 3.733 4.097 . 0 0 "[ . 1 . 2]" 1
573 1 25 ASP HB2 1 53 TYR H . . 4.590 4.433 4.173 4.554 . 0 0 "[ . 1 . 2]" 1
574 1 25 ASP HB2 1 54 ILE MD . . 4.970 5.003 4.992 5.010 0.040 9 0 "[ . 1 . 2]" 1
575 1 25 ASP HB2 1 54 ILE HG12 . . 5.320 4.294 4.243 4.323 . 0 0 "[ . 1 . 2]" 1
576 1 25 ASP HB3 1 26 ARG H . . 4.010 3.596 3.558 3.643 . 0 0 "[ . 1 . 2]" 1
577 1 25 ASP HB3 1 26 ARG HA . . 4.220 4.173 4.151 4.197 . 0 0 "[ . 1 . 2]" 1
578 1 25 ASP HB3 1 54 ILE MD . . 5.400 5.426 5.418 5.432 0.032 16 0 "[ . 1 . 2]" 1
579 1 26 ARG H 1 26 ARG HB2 . . 3.200 2.139 2.091 2.153 . 0 0 "[ . 1 . 2]" 1
580 1 26 ARG H 1 26 ARG HB3 . . 3.430 3.008 2.981 3.113 . 0 0 "[ . 1 . 2]" 1
581 1 26 ARG H 1 26 ARG HD2 . . 5.380 5.049 4.715 5.272 . 0 0 "[ . 1 . 2]" 1
582 1 26 ARG H 1 26 ARG QD . . 4.610 4.402 4.316 4.486 . 0 0 "[ . 1 . 2]" 1
583 1 26 ARG H 1 26 ARG HD3 . . 5.380 4.877 4.649 5.082 . 0 0 "[ . 1 . 2]" 1
584 1 26 ARG H 1 26 ARG QG . . 3.730 3.726 3.615 3.754 0.024 16 0 "[ . 1 . 2]" 1
585 1 26 ARG H 1 27 CYS H . . 3.230 3.019 2.879 3.053 . 0 0 "[ . 1 . 2]" 1
586 1 26 ARG H 1 28 GLU H . . 3.970 3.538 3.520 3.553 . 0 0 "[ . 1 . 2]" 1
587 1 26 ARG H 1 54 ILE HA . . 4.570 3.545 3.516 3.577 . 0 0 "[ . 1 . 2]" 1
588 1 26 ARG H 1 54 ILE MD . . 4.280 4.249 4.189 4.288 0.008 15 0 "[ . 1 . 2]" 1
589 1 26 ARG H 1 54 ILE HG12 . . 4.870 3.039 3.009 3.069 . 0 0 "[ . 1 . 2]" 1
590 1 26 ARG H 1 54 ILE HG13 . . 5.410 4.563 4.523 4.608 . 0 0 "[ . 1 . 2]" 1
591 1 26 ARG H 1 54 ILE MG . . 4.760 3.788 3.724 3.851 . 0 0 "[ . 1 . 2]" 1
592 1 26 ARG H 1 55 CYS H . . 5.500 4.739 4.714 4.764 . 0 0 "[ . 1 . 2]" 1
593 1 26 ARG HA 1 26 ARG HD2 . . 4.450 3.585 2.951 3.878 . 0 0 "[ . 1 . 2]" 1
594 1 26 ARG HA 1 26 ARG HD3 . . 4.450 2.611 2.322 2.812 . 0 0 "[ . 1 . 2]" 1
595 1 26 ARG HA 1 26 ARG HE . . 5.250 4.616 4.185 5.134 . 0 0 "[ . 1 . 2]" 1
596 1 26 ARG HA 1 26 ARG QG . . 3.280 2.323 2.215 2.437 . 0 0 "[ . 1 . 2]" 1
597 1 26 ARG HA 1 28 GLU H . . 4.620 4.344 4.310 4.424 . 0 0 "[ . 1 . 2]" 1
598 1 26 ARG HA 1 54 ILE MD . . 4.480 4.046 3.881 4.161 . 0 0 "[ . 1 . 2]" 1
599 1 26 ARG HA 1 54 ILE MG . . 4.830 4.276 4.160 4.370 . 0 0 "[ . 1 . 2]" 1
600 1 26 ARG HB2 1 26 ARG QD . . 3.510 3.294 3.271 3.302 . 0 0 "[ . 1 . 2]" 1
601 1 26 ARG HB2 1 26 ARG HE . . 5.000 4.601 4.481 4.990 . 0 0 "[ . 1 . 2]" 1
602 1 26 ARG HB2 1 27 CYS H . . 3.270 3.235 3.098 3.283 0.013 6 0 "[ . 1 . 2]" 1
603 1 26 ARG HB2 1 54 ILE MD . . 3.710 3.113 3.045 3.293 . 0 0 "[ . 1 . 2]" 1
604 1 26 ARG HB2 1 54 ILE MG . . 4.150 2.104 1.977 2.271 . 0 0 "[ . 1 . 2]" 1
605 1 26 ARG HB3 1 26 ARG HD2 . . 3.920 2.400 2.241 2.582 . 0 0 "[ . 1 . 2]" 1
606 1 26 ARG HB3 1 26 ARG HD3 . . 3.920 3.108 2.834 3.524 . 0 0 "[ . 1 . 2]" 1
607 1 26 ARG HB3 1 26 ARG HE . . 4.670 4.287 4.035 4.490 . 0 0 "[ . 1 . 2]" 1
608 1 26 ARG HB3 1 27 CYS H . . 3.310 2.100 2.024 2.410 . 0 0 "[ . 1 . 2]" 1
609 1 26 ARG HB3 1 54 ILE MD . . 4.550 4.343 4.248 4.472 . 0 0 "[ . 1 . 2]" 1
610 1 26 ARG HB3 1 54 ILE MG . . 4.030 2.900 2.794 3.077 . 0 0 "[ . 1 . 2]" 1
611 1 26 ARG QD 1 27 CYS H . . 4.390 3.449 3.267 3.897 . 0 0 "[ . 1 . 2]" 1
612 1 26 ARG QD 1 54 ILE MG . . 4.000 3.758 3.498 3.844 . 0 0 "[ . 1 . 2]" 1
613 1 26 ARG QD 1 58 CYS HB3 . . 3.860 2.475 1.992 3.087 . 0 0 "[ . 1 . 2]" 1
614 1 26 ARG HD2 1 54 ILE MD . . 4.970 4.947 4.552 4.983 0.013 5 0 "[ . 1 . 2]" 1
615 1 26 ARG HD3 1 54 ILE MD . . 4.970 4.728 4.345 4.973 0.003 3 0 "[ . 1 . 2]" 1
616 1 26 ARG HE 1 26 ARG QG . . 3.780 2.254 2.158 2.788 . 0 0 "[ . 1 . 2]" 1
617 1 26 ARG HE 1 54 ILE MD . . 4.370 4.135 3.926 4.371 0.001 4 0 "[ . 1 . 2]" 1
618 1 26 ARG QG 1 27 CYS H . . 4.370 4.119 4.060 4.332 . 0 0 "[ . 1 . 2]" 1
619 1 26 ARG QG 1 54 ILE HA . . 5.500 4.409 4.201 4.475 . 0 0 "[ . 1 . 2]" 1
620 1 26 ARG QG 1 54 ILE MD . . 3.620 2.431 2.144 2.541 . 0 0 "[ . 1 . 2]" 1
621 1 26 ARG QG 1 54 ILE HG12 . . 3.330 3.234 2.948 3.335 0.005 3 0 "[ . 1 . 2]" 1
622 1 26 ARG QG 1 54 ILE MG . . 2.980 2.069 1.912 2.223 . 0 0 "[ . 1 . 2]" 1
623 1 26 ARG QG 1 58 CYS HA . . 5.500 4.513 4.438 4.863 . 0 0 "[ . 1 . 2]" 1
624 1 26 ARG QG 1 58 CYS HB2 . . 5.220 2.818 2.714 3.021 . 0 0 "[ . 1 . 2]" 1
625 1 26 ARG QG 1 58 CYS HB3 . . 3.750 2.075 1.992 2.471 . 0 0 "[ . 1 . 2]" 1
626 1 27 CYS H 1 27 CYS QB . . 3.350 2.811 2.769 2.906 . 0 0 "[ . 1 . 2]" 1
627 1 27 CYS H 1 28 GLU H . . 3.120 2.227 2.083 2.278 . 0 0 "[ . 1 . 2]" 1
628 1 27 CYS H 1 28 GLU HA . . 4.560 4.463 4.317 4.518 . 0 0 "[ . 1 . 2]" 1
629 1 27 CYS H 1 29 GLU H . . 4.720 3.919 3.827 3.964 . 0 0 "[ . 1 . 2]" 1
630 1 27 CYS H 1 58 CYS HB2 . . 5.360 4.752 4.707 4.921 . 0 0 "[ . 1 . 2]" 1
631 1 27 CYS QB 1 29 GLU H . . 5.340 4.390 4.337 4.446 . 0 0 "[ . 1 . 2]" 1
632 1 28 GLU H 1 28 GLU HA . . 2.700 2.276 2.275 2.277 . 0 0 "[ . 1 . 2]" 1
633 1 28 GLU H 1 29 GLU H . . 3.380 2.723 2.705 2.733 . 0 0 "[ . 1 . 2]" 1
634 1 28 GLU HA 1 28 GLU HG2 . . 3.800 2.999 2.533 3.678 . 0 0 "[ . 1 . 2]" 1
635 1 28 GLU HA 1 28 GLU QG . . 2.990 2.389 2.106 2.583 . 0 0 "[ . 1 . 2]" 1
636 1 28 GLU HA 1 28 GLU HG3 . . 3.800 2.815 2.135 3.634 . 0 0 "[ . 1 . 2]" 1
637 1 29 GLU H 1 31 PHE QE . . 4.160 3.543 3.434 3.640 . 0 0 "[ . 1 . 2]" 1
638 1 29 GLU HA 1 29 GLU HB3 . . 2.940 2.845 2.825 2.852 . 0 0 "[ . 1 . 2]" 1
639 1 29 GLU HA 1 30 TRP H . . 2.870 2.692 2.653 2.714 . 0 0 "[ . 1 . 2]" 1
640 1 29 GLU HA 1 30 TRP HD1 . . 3.920 3.557 3.439 3.727 . 0 0 "[ . 1 . 2]" 1
641 1 29 GLU HB2 1 30 TRP H . . 5.500 3.605 3.579 3.643 . 0 0 "[ . 1 . 2]" 1
642 1 29 GLU HB2 1 31 PHE QE . . 3.520 3.271 3.164 3.408 . 0 0 "[ . 1 . 2]" 1
643 1 29 GLU HB2 1 31 PHE HZ . . 5.500 3.856 3.692 4.013 . 0 0 "[ . 1 . 2]" 1
644 1 29 GLU HB3 1 30 TRP H . . 5.500 2.129 2.095 2.170 . 0 0 "[ . 1 . 2]" 1
645 1 29 GLU HB3 1 31 PHE H . . 5.500 5.499 5.471 5.520 0.020 1 0 "[ . 1 . 2]" 1
646 1 29 GLU HB3 1 31 PHE QD . . 5.500 4.066 4.000 4.117 . 0 0 "[ . 1 . 2]" 1
647 1 29 GLU HB3 1 31 PHE QE . . 3.050 2.969 2.836 3.068 0.018 13 0 "[ . 1 . 2]" 1
648 1 29 GLU HB3 1 31 PHE HZ . . 5.500 3.665 3.491 3.813 . 0 0 "[ . 1 . 2]" 1
649 1 30 TRP H 1 30 TRP HD1 . . 3.480 3.394 3.313 3.483 0.003 4 0 "[ . 1 . 2]" 1
650 1 30 TRP H 1 31 PHE H . . 5.250 4.488 4.480 4.496 . 0 0 "[ . 1 . 2]" 1
651 1 30 TRP H 1 31 PHE QD . . 4.610 4.403 4.323 4.489 . 0 0 "[ . 1 . 2]" 1
652 1 30 TRP HA 1 31 PHE H . . 2.910 2.295 2.276 2.306 . 0 0 "[ . 1 . 2]" 1
653 1 30 TRP HA 1 31 PHE QD . . 3.810 3.205 3.169 3.273 . 0 0 "[ . 1 . 2]" 1
654 1 30 TRP QB 1 30 TRP HD1 . . 2.900 2.611 2.586 2.628 . 0 0 "[ . 1 . 2]" 1
655 1 30 TRP QB 1 30 TRP HE1 . . 4.850 4.436 4.427 4.441 . 0 0 "[ . 1 . 2]" 1
656 1 30 TRP QB 1 30 TRP HE3 . . 3.020 2.558 2.533 2.598 . 0 0 "[ . 1 . 2]" 1
657 1 30 TRP QB 1 30 TRP HZ3 . . 4.850 4.796 4.778 4.826 . 0 0 "[ . 1 . 2]" 1
658 1 30 TRP QB 1 31 PHE H . . 3.520 2.696 2.667 2.753 . 0 0 "[ . 1 . 2]" 1
659 1 30 TRP HE3 1 31 PHE H . . 4.180 2.951 2.803 3.099 . 0 0 "[ . 1 . 2]" 1
660 1 31 PHE H 1 31 PHE HB2 . . 3.070 2.820 2.777 2.865 . 0 0 "[ . 1 . 2]" 1
661 1 31 PHE H 1 31 PHE HB3 . . 3.960 3.881 3.857 3.906 . 0 0 "[ . 1 . 2]" 1
662 1 31 PHE H 1 31 PHE QD . . 3.320 3.099 3.068 3.140 . 0 0 "[ . 1 . 2]" 1
663 1 31 PHE H 1 31 PHE QE . . 5.140 5.119 5.089 5.148 0.008 7 0 "[ . 1 . 2]" 1
664 1 31 PHE H 1 32 HIS H . . 4.710 4.318 4.184 4.416 . 0 0 "[ . 1 . 2]" 1
665 1 31 PHE H 1 36 VAL MG2 . . 5.500 5.273 5.068 5.462 . 0 0 "[ . 1 . 2]" 1
666 1 31 PHE HA 1 31 PHE QD . . 3.470 2.984 2.950 3.005 . 0 0 "[ . 1 . 2]" 1
667 1 31 PHE HA 1 32 HIS H . . 3.020 2.341 2.154 2.496 . 0 0 "[ . 1 . 2]" 1
668 1 31 PHE HB2 1 32 HIS H . . 4.410 3.806 3.478 4.200 . 0 0 "[ . 1 . 2]" 1
669 1 31 PHE HB2 1 36 VAL MG1 . . 3.140 2.535 2.339 2.837 . 0 0 "[ . 1 . 2]" 1
670 1 31 PHE HB2 1 53 TYR QD . . 5.320 5.295 5.227 5.355 0.035 14 0 "[ . 1 . 2]" 1
671 1 31 PHE HB2 1 53 TYR QE . . 4.380 3.607 3.455 3.732 . 0 0 "[ . 1 . 2]" 1
672 1 31 PHE HB3 1 32 HIS H . . 3.510 2.690 2.227 3.264 . 0 0 "[ . 1 . 2]" 1
673 1 31 PHE HB3 1 36 VAL H . . 4.330 4.322 4.272 4.338 0.008 7 0 "[ . 1 . 2]" 1
674 1 31 PHE HB3 1 36 VAL MG1 . . 3.270 1.987 1.891 2.177 . 0 0 "[ . 1 . 2]" 1
675 1 31 PHE HB3 1 36 VAL MG2 . . 3.440 3.417 3.346 3.457 0.017 14 0 "[ . 1 . 2]" 1
676 1 31 PHE HB3 1 55 CYS HB2 . . 5.500 4.321 4.072 4.546 . 0 0 "[ . 1 . 2]" 1
677 1 31 PHE QD 1 32 HIS H . . 4.240 3.849 3.552 4.195 . 0 0 "[ . 1 . 2]" 1
678 1 31 PHE QD 1 36 VAL MG1 . . 3.240 3.147 3.115 3.212 . 0 0 "[ . 1 . 2]" 1
679 1 31 PHE QD 1 53 TYR QD . . 4.870 4.865 4.840 4.879 0.009 7 0 "[ . 1 . 2]" 1
680 1 31 PHE QD 1 53 TYR QE . . 3.940 3.876 3.819 3.935 . 0 0 "[ . 1 . 2]" 1
681 1 31 PHE QD 1 55 CYS HB2 . . 5.500 3.790 3.665 3.912 . 0 0 "[ . 1 . 2]" 1
682 1 31 PHE QD 1 55 CYS HB3 . . 5.500 2.975 2.854 3.101 . 0 0 "[ . 1 . 2]" 1
683 1 31 PHE QD 1 56 PRO HD2 . . 4.810 4.590 4.445 4.752 . 0 0 "[ . 1 . 2]" 1
684 1 31 PHE QE 1 36 VAL MG1 . . 4.670 4.471 4.382 4.557 . 0 0 "[ . 1 . 2]" 1
685 1 31 PHE QE 1 53 TYR QE . . 5.310 5.198 5.123 5.273 . 0 0 "[ . 1 . 2]" 1
686 1 31 PHE QE 1 55 CYS HB2 . . 5.500 3.936 3.905 3.957 . 0 0 "[ . 1 . 2]" 1
687 1 31 PHE QE 1 57 ASN HD21 . . 4.570 2.545 2.456 2.642 . 0 0 "[ . 1 . 2]" 1
688 1 31 PHE HZ 1 55 CYS HB2 . . 4.870 4.508 4.402 4.601 . 0 0 "[ . 1 . 2]" 1
689 1 31 PHE HZ 1 57 ASN H . . 5.500 5.523 5.442 5.584 0.084 11 0 "[ . 1 . 2]" 1
690 1 31 PHE HZ 1 57 ASN HD21 . . 4.100 4.105 4.099 4.109 0.009 7 0 "[ . 1 . 2]" 1
691 1 32 HIS H 1 32 HIS HB2 . . 3.470 2.345 2.330 2.361 . 0 0 "[ . 1 . 2]" 1
692 1 32 HIS H 1 32 HIS HB3 . . 4.000 3.582 3.566 3.597 . 0 0 "[ . 1 . 2]" 1
693 1 32 HIS H 1 32 HIS HD2 . . 4.740 4.650 4.441 4.758 0.018 15 0 "[ . 1 . 2]" 1
694 1 32 HIS H 1 33 GLY H . . 5.200 4.508 4.454 4.565 . 0 0 "[ . 1 . 2]" 1
695 1 32 HIS H 1 35 CYS H . . 4.900 4.360 4.112 4.635 . 0 0 "[ . 1 . 2]" 1
696 1 32 HIS H 1 35 CYS HB2 . . 4.220 3.083 2.746 3.445 . 0 0 "[ . 1 . 2]" 1
697 1 32 HIS H 1 35 CYS HB3 . . 5.040 4.545 4.146 4.927 . 0 0 "[ . 1 . 2]" 1
698 1 32 HIS HA 1 32 HIS HD2 . . 3.970 2.594 2.465 2.773 . 0 0 "[ . 1 . 2]" 1
699 1 32 HIS HA 1 33 GLY H . . 2.890 2.160 2.157 2.163 . 0 0 "[ . 1 . 2]" 1
700 1 32 HIS HA 1 35 CYS H . . 5.500 4.518 4.362 4.666 . 0 0 "[ . 1 . 2]" 1
701 1 32 HIS HB3 1 32 HIS HD2 . . 3.600 3.114 3.014 3.188 . 0 0 "[ . 1 . 2]" 1
702 1 32 HIS HB3 1 33 GLY H . . 3.420 3.293 3.264 3.331 . 0 0 "[ . 1 . 2]" 1
703 1 32 HIS HB3 1 34 ASP H . . 3.440 2.605 2.566 2.668 . 0 0 "[ . 1 . 2]" 1
704 1 32 HIS HB3 1 34 ASP QB . . 5.340 3.106 2.935 3.226 . 0 0 "[ . 1 . 2]" 1
705 1 32 HIS HD2 1 33 GLY H . . 4.890 3.884 3.796 3.998 . 0 0 "[ . 1 . 2]" 1
706 1 33 GLY H 1 33 GLY HA3 . . 2.790 2.297 2.297 2.298 . 0 0 "[ . 1 . 2]" 1
707 1 33 GLY H 1 36 VAL MG2 . . 3.990 3.753 3.705 3.786 . 0 0 "[ . 1 . 2]" 1
708 1 33 GLY HA2 1 36 VAL H . . 4.360 3.738 3.655 3.813 . 0 0 "[ . 1 . 2]" 1
709 1 33 GLY HA2 1 36 VAL MG2 . . 3.110 2.041 2.014 2.084 . 0 0 "[ . 1 . 2]" 1
710 1 33 GLY HA2 1 38 ILE H . . 4.040 3.286 3.165 3.401 . 0 0 "[ . 1 . 2]" 1
711 1 33 GLY HA2 1 38 ILE HB . . 3.400 2.342 2.301 2.392 . 0 0 "[ . 1 . 2]" 1
712 1 33 GLY HA2 1 38 ILE QG . . 4.070 3.754 3.718 3.793 . 0 0 "[ . 1 . 2]" 1
713 1 33 GLY HA3 1 36 VAL H . . 5.500 4.923 4.868 4.962 . 0 0 "[ . 1 . 2]" 1
714 1 33 GLY HA3 1 36 VAL MG2 . . 3.690 3.382 3.354 3.448 . 0 0 "[ . 1 . 2]" 1
715 1 33 GLY HA3 1 38 ILE HB . . 3.290 3.306 3.294 3.322 0.032 15 0 "[ . 1 . 2]" 1
716 1 33 GLY HA3 1 38 ILE MG . . 4.020 3.827 3.768 3.882 . 0 0 "[ . 1 . 2]" 1
717 1 34 ASP H 1 34 ASP HB2 . . 3.590 2.238 2.097 2.707 . 0 0 "[ . 1 . 2]" 1
718 1 34 ASP H 1 34 ASP QB . . 3.140 2.163 2.075 2.311 . 0 0 "[ . 1 . 2]" 1
719 1 34 ASP H 1 34 ASP HB3 . . 3.590 3.105 2.419 3.577 . 0 0 "[ . 1 . 2]" 1
720 1 34 ASP H 1 35 CYS H . . 3.420 2.563 2.480 2.637 . 0 0 "[ . 1 . 2]" 1
721 1 34 ASP H 1 36 VAL H . . 4.140 3.960 3.880 4.056 . 0 0 "[ . 1 . 2]" 1
722 1 34 ASP H 1 38 ILE H . . 5.460 5.496 5.482 5.509 0.049 9 0 "[ . 1 . 2]" 1
723 1 34 ASP HA 1 36 VAL H . . 4.810 4.419 4.291 4.562 . 0 0 "[ . 1 . 2]" 1
724 1 34 ASP HA 1 37 GLY H . . 4.180 3.328 3.215 3.449 . 0 0 "[ . 1 . 2]" 1
725 1 34 ASP HA 1 38 ILE H . . 5.140 4.897 4.836 4.981 . 0 0 "[ . 1 . 2]" 1
726 1 34 ASP QB 1 35 CYS H . . 3.290 2.512 2.241 2.774 . 0 0 "[ . 1 . 2]" 1
727 1 34 ASP HB2 1 35 CYS H . . 3.800 3.196 2.472 3.767 . 0 0 "[ . 1 . 2]" 1
728 1 34 ASP HB3 1 35 CYS H . . 3.800 2.748 2.263 3.326 . 0 0 "[ . 1 . 2]" 1
729 1 35 CYS H 1 35 CYS HB2 . . 2.970 2.469 2.359 2.565 . 0 0 "[ . 1 . 2]" 1
730 1 35 CYS H 1 35 CYS HB3 . . 3.610 3.585 3.573 3.591 . 0 0 "[ . 1 . 2]" 1
731 1 35 CYS H 1 36 VAL H . . 3.200 2.692 2.579 2.781 . 0 0 "[ . 1 . 2]" 1
732 1 35 CYS H 1 36 VAL MG1 . . 5.120 4.497 4.443 4.570 . 0 0 "[ . 1 . 2]" 1
733 1 35 CYS HA 1 35 CYS HB3 . . 3.020 2.501 2.470 2.544 . 0 0 "[ . 1 . 2]" 1
734 1 35 CYS HB2 1 36 VAL H . . 3.530 2.652 2.588 2.687 . 0 0 "[ . 1 . 2]" 1
735 1 35 CYS HB2 1 36 VAL MG1 . . 3.530 3.264 3.147 3.409 . 0 0 "[ . 1 . 2]" 1
736 1 35 CYS HB2 1 36 VAL MG2 . . 5.110 3.966 3.904 3.992 . 0 0 "[ . 1 . 2]" 1
737 1 35 CYS HB3 1 36 VAL H . . 3.850 3.636 3.525 3.735 . 0 0 "[ . 1 . 2]" 1
738 1 35 CYS HB3 1 36 VAL MG1 . . 4.010 3.930 3.832 3.992 . 0 0 "[ . 1 . 2]" 1
739 1 35 CYS HB3 1 36 VAL MG2 . . 5.500 4.986 4.892 5.067 . 0 0 "[ . 1 . 2]" 1
740 1 36 VAL H 1 36 VAL MG1 . . 3.550 2.563 2.485 2.652 . 0 0 "[ . 1 . 2]" 1
741 1 36 VAL H 1 36 VAL MG2 . . 2.780 1.991 1.911 2.065 . 0 0 "[ . 1 . 2]" 1
742 1 36 VAL H 1 37 GLY H . . 3.320 2.354 2.328 2.376 . 0 0 "[ . 1 . 2]" 1
743 1 36 VAL H 1 37 GLY HA2 . . 5.340 4.699 4.664 4.732 . 0 0 "[ . 1 . 2]" 1
744 1 36 VAL H 1 37 GLY QA . . 4.580 4.323 4.295 4.349 . 0 0 "[ . 1 . 2]" 1
745 1 36 VAL H 1 37 GLY HA3 . . 5.340 5.048 5.024 5.070 . 0 0 "[ . 1 . 2]" 1
746 1 36 VAL H 1 38 ILE H . . 4.240 3.958 3.914 3.992 . 0 0 "[ . 1 . 2]" 1
747 1 36 VAL H 1 38 ILE HB . . 5.140 5.151 5.122 5.160 0.020 11 0 "[ . 1 . 2]" 1
748 1 36 VAL HA 1 36 VAL HB . . 2.870 2.501 2.495 2.508 . 0 0 "[ . 1 . 2]" 1
749 1 36 VAL HA 1 36 VAL MG1 . . 2.980 2.224 2.164 2.280 . 0 0 "[ . 1 . 2]" 1
750 1 36 VAL HA 1 36 VAL MG2 . . 3.660 3.183 3.183 3.185 . 0 0 "[ . 1 . 2]" 1
751 1 36 VAL HA 1 37 GLY H . . 3.550 3.474 3.459 3.483 . 0 0 "[ . 1 . 2]" 1
752 1 36 VAL HA 1 38 ILE H . . 5.300 4.455 4.413 4.499 . 0 0 "[ . 1 . 2]" 1
753 1 36 VAL HA 1 56 PRO QG . . 4.460 2.256 2.113 2.382 . 0 0 "[ . 1 . 2]" 1
754 1 36 VAL HB 1 37 GLY H . . 4.480 3.871 3.846 3.911 . 0 0 "[ . 1 . 2]" 1
755 1 36 VAL HB 1 38 ILE H . . 3.810 3.305 3.256 3.399 . 0 0 "[ . 1 . 2]" 1
756 1 36 VAL HB 1 38 ILE QG . . 4.180 2.838 2.754 2.930 . 0 0 "[ . 1 . 2]" 1
757 1 36 VAL HB 1 53 TYR QE . . 4.940 3.913 3.854 4.061 . 0 0 "[ . 1 . 2]" 1
758 1 36 VAL HB 1 56 PRO HD3 . . 4.290 2.398 2.242 2.510 . 0 0 "[ . 1 . 2]" 1
759 1 36 VAL MG1 1 37 GLY H . . 5.340 4.077 4.055 4.099 . 0 0 "[ . 1 . 2]" 1
760 1 36 VAL MG1 1 38 ILE H . . 4.580 4.324 4.308 4.349 . 0 0 "[ . 1 . 2]" 1
761 1 36 VAL MG1 1 53 TYR QE . . 4.940 3.080 2.977 3.219 . 0 0 "[ . 1 . 2]" 1
762 1 36 VAL MG1 1 55 CYS HA . . 4.870 2.938 2.729 3.102 . 0 0 "[ . 1 . 2]" 1
763 1 36 VAL MG1 1 56 PRO HD2 . . 4.150 1.967 1.915 2.043 . 0 0 "[ . 1 . 2]" 1
764 1 36 VAL MG1 1 56 PRO HD3 . . 3.920 2.656 2.539 2.721 . 0 0 "[ . 1 . 2]" 1
765 1 36 VAL MG1 1 57 ASN H . . 4.660 4.247 4.150 4.306 . 0 0 "[ . 1 . 2]" 1
766 1 36 VAL MG2 1 37 GLY H . . 3.420 2.031 1.998 2.085 . 0 0 "[ . 1 . 2]" 1
767 1 36 VAL MG2 1 38 ILE H . . 3.130 1.907 1.869 1.928 . 0 0 "[ . 1 . 2]" 1
768 1 36 VAL MG2 1 38 ILE HB . . 2.790 2.250 2.186 2.327 . 0 0 "[ . 1 . 2]" 1
769 1 36 VAL MG2 1 38 ILE QG . . 3.200 1.925 1.918 1.951 . 0 0 "[ . 1 . 2]" 1
770 1 36 VAL MG2 1 53 TYR QE . . 3.740 3.665 3.566 3.742 0.002 12 0 "[ . 1 . 2]" 1
771 1 36 VAL MG2 1 56 PRO HD3 . . 4.090 3.974 3.820 4.075 . 0 0 "[ . 1 . 2]" 1
772 1 37 GLY H 1 38 ILE H . . 3.180 2.485 2.431 2.533 . 0 0 "[ . 1 . 2]" 1
773 1 38 ILE H 1 38 ILE HB . . 3.210 2.514 2.500 2.542 . 0 0 "[ . 1 . 2]" 1
774 1 38 ILE H 1 38 ILE MD . . 4.430 3.333 3.277 3.367 . 0 0 "[ . 1 . 2]" 1
775 1 38 ILE H 1 38 ILE QG . . 3.410 2.125 2.067 2.148 . 0 0 "[ . 1 . 2]" 1
776 1 38 ILE H 1 39 SER H . . 4.620 4.601 4.561 4.618 . 0 0 "[ . 1 . 2]" 1
777 1 38 ILE H 1 56 PRO HD3 . . 5.500 5.465 5.359 5.524 0.024 9 0 "[ . 1 . 2]" 1
778 1 38 ILE H 1 56 PRO QG . . 5.500 5.419 5.257 5.520 0.020 19 0 "[ . 1 . 2]" 1
779 1 38 ILE HA 1 38 ILE MD . . 3.250 2.020 1.955 2.063 . 0 0 "[ . 1 . 2]" 1
780 1 38 ILE HA 1 38 ILE MG . . 3.350 2.335 2.301 2.358 . 0 0 "[ . 1 . 2]" 1
781 1 38 ILE HA 1 39 SER H . . 2.610 2.197 2.157 2.221 . 0 0 "[ . 1 . 2]" 1
782 1 38 ILE HB 1 39 SER H . . 5.500 4.050 3.974 4.164 . 0 0 "[ . 1 . 2]" 1
783 1 38 ILE MD 1 39 SER H . . 3.810 3.307 3.210 3.539 . 0 0 "[ . 1 . 2]" 1
784 1 38 ILE MD 1 42 ARG HA . . 5.500 5.481 5.437 5.507 0.007 2 0 "[ . 1 . 2]" 1
785 1 38 ILE MD 1 42 ARG QB . . 4.600 3.155 2.927 3.471 . 0 0 "[ . 1 . 2]" 1
786 1 38 ILE MD 1 42 ARG QD . . 4.990 3.895 3.250 4.762 . 0 0 "[ . 1 . 2]" 1
787 1 38 ILE MD 1 53 TYR QD . . 3.490 2.956 2.771 3.377 . 0 0 "[ . 1 . 2]" 1
788 1 38 ILE MD 1 53 TYR QE . . 3.640 1.964 1.934 2.007 . 0 0 "[ . 1 . 2]" 1
789 1 38 ILE QG 1 42 ARG QB . . 5.260 4.636 4.453 4.805 . 0 0 "[ . 1 . 2]" 1
790 1 38 ILE QG 1 43 GLY H . . 5.500 5.306 5.227 5.383 . 0 0 "[ . 1 . 2]" 1
791 1 38 ILE QG 1 53 TYR QD . . 4.360 3.666 3.608 3.793 . 0 0 "[ . 1 . 2]" 1
792 1 38 ILE QG 1 53 TYR QE . . 3.920 2.446 2.377 2.528 . 0 0 "[ . 1 . 2]" 1
793 1 38 ILE MG 1 39 SER H . . 3.730 2.139 1.993 2.348 . 0 0 "[ . 1 . 2]" 1
794 1 38 ILE MG 1 40 GLU H . . 4.920 4.730 4.622 4.926 0.006 15 0 "[ . 1 . 2]" 1
795 1 38 ILE MG 1 42 ARG H . . 4.570 3.811 3.723 4.039 . 0 0 "[ . 1 . 2]" 1
796 1 38 ILE MG 1 42 ARG QB . . 3.870 1.991 1.943 2.045 . 0 0 "[ . 1 . 2]" 1
797 1 38 ILE MG 1 43 GLY H . . 3.630 2.360 2.297 2.467 . 0 0 "[ . 1 . 2]" 1
798 1 38 ILE MG 1 43 GLY HA2 . . 3.830 2.627 2.327 2.871 . 0 0 "[ . 1 . 2]" 1
799 1 38 ILE MG 1 53 TYR QD . . 4.590 4.320 4.222 4.383 . 0 0 "[ . 1 . 2]" 1
800 1 38 ILE MG 1 53 TYR QE . . 4.870 4.022 3.851 4.120 . 0 0 "[ . 1 . 2]" 1
801 1 39 SER H 1 39 SER QB . . 3.170 2.669 2.198 2.860 . 0 0 "[ . 1 . 2]" 1
802 1 39 SER H 1 40 GLU H . . 4.600 4.581 4.540 4.604 0.004 12 0 "[ . 1 . 2]" 1
803 1 39 SER H 1 42 ARG HB2 . . 5.500 2.652 1.999 3.204 . 0 0 "[ . 1 . 2]" 1
804 1 39 SER H 1 42 ARG HB3 . . 5.500 2.871 2.075 4.526 . 0 0 "[ . 1 . 2]" 1
805 1 39 SER H 1 42 ARG QD . . 4.620 3.994 3.344 4.545 . 0 0 "[ . 1 . 2]" 1
806 1 39 SER H 1 42 ARG QG . . 5.340 3.193 2.461 3.916 . 0 0 "[ . 1 . 2]" 1
807 1 39 SER H 1 43 GLY H . . 5.070 3.757 3.584 3.945 . 0 0 "[ . 1 . 2]" 1
808 1 39 SER HA 1 40 GLU H . . 2.900 2.311 2.264 2.514 . 0 0 "[ . 1 . 2]" 1
809 1 39 SER HA 1 41 ALA H . . 4.560 4.161 4.036 4.399 . 0 0 "[ . 1 . 2]" 1
810 1 39 SER QB 1 40 GLU H . . 3.130 2.714 2.457 2.828 . 0 0 "[ . 1 . 2]" 1
811 1 39 SER QB 1 41 ALA H . . 3.230 2.709 2.540 3.291 0.061 15 0 "[ . 1 . 2]" 1
812 1 39 SER QB 1 41 ALA MB . . 4.010 3.174 2.999 3.626 . 0 0 "[ . 1 . 2]" 1
813 1 39 SER QB 1 43 GLY H . . 5.050 4.080 3.813 4.818 . 0 0 "[ . 1 . 2]" 1
814 1 39 SER HB2 1 40 GLU H . . 3.790 3.492 2.832 3.743 . 0 0 "[ . 1 . 2]" 1
815 1 39 SER HB2 1 41 ALA H . . 3.700 2.941 2.600 3.625 . 0 0 "[ . 1 . 2]" 1
816 1 39 SER HB3 1 40 GLU H . . 3.790 2.880 2.512 3.877 0.087 15 0 "[ . 1 . 2]" 1
817 1 39 SER HB3 1 41 ALA H . . 3.700 3.236 2.943 3.774 0.074 15 0 "[ . 1 . 2]" 1
818 1 40 GLU H 1 40 GLU HB2 . . 3.680 2.524 2.375 2.665 . 0 0 "[ . 1 . 2]" 1
819 1 40 GLU H 1 40 GLU QB . . 3.070 2.284 2.238 2.455 . 0 0 "[ . 1 . 2]" 1
820 1 40 GLU H 1 40 GLU HB3 . . 3.680 2.771 2.405 3.591 . 0 0 "[ . 1 . 2]" 1
821 1 40 GLU H 1 40 GLU QG . . 3.970 3.686 2.727 3.980 0.010 7 0 "[ . 1 . 2]" 1
822 1 40 GLU H 1 41 ALA H . . 3.580 2.760 2.552 2.790 . 0 0 "[ . 1 . 2]" 1
823 1 40 GLU H 1 41 ALA MB . . 4.950 4.400 4.104 4.470 . 0 0 "[ . 1 . 2]" 1
824 1 40 GLU HA 1 40 GLU QG . . 3.290 2.433 2.224 2.544 . 0 0 "[ . 1 . 2]" 1
825 1 40 GLU HA 1 41 ALA MB . . 5.440 4.997 4.938 5.018 . 0 0 "[ . 1 . 2]" 1
826 1 40 GLU HA 1 42 ARG H . . 4.970 4.455 4.234 4.886 . 0 0 "[ . 1 . 2]" 1
827 1 40 GLU HA 1 43 GLY H . . 4.100 3.847 3.770 4.016 . 0 0 "[ . 1 . 2]" 1
828 1 40 GLU HA 1 43 GLY HA3 . . 4.410 4.262 3.935 4.409 . 0 0 "[ . 1 . 2]" 1
829 1 40 GLU HA 1 44 ARG H . . 4.790 4.196 3.890 4.462 . 0 0 "[ . 1 . 2]" 1
830 1 40 GLU QB 1 40 GLU QG . . 2.420 2.052 2.018 2.086 . 0 0 "[ . 1 . 2]" 1
831 1 40 GLU HB2 1 41 ALA H . . 5.500 3.704 2.741 4.222 . 0 0 "[ . 1 . 2]" 1
832 1 40 GLU HB3 1 41 ALA H . . 5.500 2.998 2.605 3.742 . 0 0 "[ . 1 . 2]" 1
833 1 40 GLU QG 1 41 ALA H . . 5.500 3.925 3.489 4.493 . 0 0 "[ . 1 . 2]" 1
834 1 40 GLU QG 1 41 ALA MB . . 5.500 4.621 3.980 5.499 . 0 0 "[ . 1 . 2]" 1
835 1 41 ALA H 1 41 ALA MB . . 2.800 2.135 2.066 2.226 . 0 0 "[ . 1 . 2]" 1
836 1 41 ALA H 1 42 ARG H . . 3.440 2.490 2.446 2.597 . 0 0 "[ . 1 . 2]" 1
837 1 41 ALA H 1 43 GLY H . . 4.520 4.237 4.046 4.336 . 0 0 "[ . 1 . 2]" 1
838 1 41 ALA HA 1 43 GLY H . . 5.500 4.782 4.643 4.943 . 0 0 "[ . 1 . 2]" 1
839 1 41 ALA HA 1 44 ARG H . . 4.110 3.737 3.571 3.929 . 0 0 "[ . 1 . 2]" 1
840 1 41 ALA HA 1 44 ARG HB2 . . 3.860 3.376 2.830 3.869 0.009 15 0 "[ . 1 . 2]" 1
841 1 41 ALA MB 1 42 ARG H . . 3.230 2.702 2.414 2.899 . 0 0 "[ . 1 . 2]" 1
842 1 41 ALA MB 1 42 ARG HA . . 5.500 3.764 3.650 3.843 . 0 0 "[ . 1 . 2]" 1
843 1 41 ALA MB 1 43 GLY H . . 5.000 4.762 4.578 4.870 . 0 0 "[ . 1 . 2]" 1
844 1 41 ALA MB 1 44 ARG H . . 5.020 4.774 4.582 5.018 . 0 0 "[ . 1 . 2]" 1
845 1 41 ALA MB 1 44 ARG HB2 . . 5.500 4.852 4.369 5.225 . 0 0 "[ . 1 . 2]" 1
846 1 42 ARG H 1 42 ARG HD2 . . 5.500 4.742 3.803 5.232 . 0 0 "[ . 1 . 2]" 1
847 1 42 ARG H 1 42 ARG QD . . 4.750 4.127 3.447 4.400 . 0 0 "[ . 1 . 2]" 1
848 1 42 ARG H 1 42 ARG HD3 . . 5.500 4.636 3.523 5.448 . 0 0 "[ . 1 . 2]" 1
849 1 42 ARG H 1 42 ARG HG2 . . 5.500 3.844 2.404 4.681 . 0 0 "[ . 1 . 2]" 1
850 1 42 ARG H 1 42 ARG HG3 . . 5.500 3.894 2.738 4.453 . 0 0 "[ . 1 . 2]" 1
851 1 42 ARG H 1 43 GLY H . . 3.350 2.673 2.606 2.835 . 0 0 "[ . 1 . 2]" 1
852 1 42 ARG H 1 43 GLY HA3 . . 5.090 4.904 4.821 5.076 . 0 0 "[ . 1 . 2]" 1
853 1 42 ARG HA 1 42 ARG QD . . 3.370 2.848 2.488 3.328 . 0 0 "[ . 1 . 2]" 1
854 1 42 ARG HA 1 42 ARG QG . . 3.220 2.426 2.118 2.646 . 0 0 "[ . 1 . 2]" 1
855 1 42 ARG HA 1 45 LEU QD . . 4.620 3.452 2.753 4.618 . 0 0 "[ . 1 . 2]" 1
856 1 42 ARG QB 1 43 GLY H . . 3.270 2.376 2.340 2.447 . 0 0 "[ . 1 . 2]" 1
857 1 42 ARG HB2 1 43 GLY H . . 3.860 3.130 2.378 3.786 . 0 0 "[ . 1 . 2]" 1
858 1 42 ARG HB3 1 43 GLY H . . 3.860 2.795 2.367 3.485 . 0 0 "[ . 1 . 2]" 1
859 1 42 ARG HG2 1 43 GLY H . . 4.720 4.372 3.866 4.720 0.000 2 0 "[ . 1 . 2]" 1
860 1 42 ARG HG3 1 43 GLY H . . 4.720 4.292 3.770 4.708 . 0 0 "[ . 1 . 2]" 1
861 1 43 GLY H 1 43 GLY HA3 . . 2.900 2.295 2.294 2.297 . 0 0 "[ . 1 . 2]" 1
862 1 43 GLY H 1 44 ARG H . . 3.570 2.760 2.659 2.855 . 0 0 "[ . 1 . 2]" 1
863 1 43 GLY H 1 45 LEU H . . 4.830 4.139 3.952 4.443 . 0 0 "[ . 1 . 2]" 1
864 1 43 GLY H 1 46 LEU QD . . 5.260 4.430 3.885 4.931 . 0 0 "[ . 1 . 2]" 1
865 1 43 GLY HA2 1 45 LEU H . . 5.090 4.165 3.854 4.544 . 0 0 "[ . 1 . 2]" 1
866 1 43 GLY HA2 1 46 LEU H . . 3.960 3.620 3.186 3.962 0.002 15 0 "[ . 1 . 2]" 1
867 1 43 GLY HA2 1 46 LEU QD . . 3.430 2.782 1.987 3.256 . 0 0 "[ . 1 . 2]" 1
868 1 43 GLY HA2 1 47 GLU H . . 4.990 4.693 4.452 5.001 0.011 10 0 "[ . 1 . 2]" 1
869 1 43 GLY HA3 1 44 ARG H . . 3.460 2.866 2.702 2.952 . 0 0 "[ . 1 . 2]" 1
870 1 43 GLY HA3 1 46 LEU H . . 5.500 4.872 4.417 5.189 . 0 0 "[ . 1 . 2]" 1
871 1 43 GLY HA3 1 46 LEU QD . . 4.700 4.161 3.360 4.582 . 0 0 "[ . 1 . 2]" 1
872 1 44 ARG H 1 45 LEU H . . 3.360 2.547 2.419 2.690 . 0 0 "[ . 1 . 2]" 1
873 1 44 ARG HA 1 44 ARG QD . . 3.900 2.708 2.153 3.713 . 0 0 "[ . 1 . 2]" 1
874 1 44 ARG HA 1 44 ARG QG . . 2.790 2.435 2.092 2.749 . 0 0 "[ . 1 . 2]" 1
875 1 44 ARG HA 1 46 LEU H . . 4.710 4.521 4.239 4.681 . 0 0 "[ . 1 . 2]" 1
876 1 44 ARG HA 1 47 GLU H . . 5.500 3.491 3.272 3.863 . 0 0 "[ . 1 . 2]" 1
877 1 44 ARG HB2 1 44 ARG HE . . 5.500 3.962 2.565 4.636 . 0 0 "[ . 1 . 2]" 1
878 1 44 ARG HB2 1 44 ARG QG . . 2.550 2.388 2.132 2.524 . 0 0 "[ . 1 . 2]" 1
879 1 44 ARG HB2 1 45 LEU H . . 5.500 3.683 3.026 3.998 . 0 0 "[ . 1 . 2]" 1
880 1 44 ARG HB3 1 45 LEU H . . 5.500 3.015 2.538 3.596 . 0 0 "[ . 1 . 2]" 1
881 1 45 LEU H 1 45 LEU QD . . 4.260 3.448 2.508 3.729 . 0 0 "[ . 1 . 2]" 1
882 1 45 LEU H 1 45 LEU HG . . 5.500 4.424 4.064 4.621 . 0 0 "[ . 1 . 2]" 1
883 1 45 LEU H 1 46 LEU H . . 3.300 2.653 2.443 2.899 . 0 0 "[ . 1 . 2]" 1
884 1 45 LEU HA 1 45 LEU MD1 . . 4.320 2.564 1.997 3.289 . 0 0 "[ . 1 . 2]" 1
885 1 45 LEU HA 1 45 LEU QD . . 3.610 2.400 1.896 2.998 . 0 0 "[ . 1 . 2]" 1
886 1 45 LEU HA 1 45 LEU MD2 . . 4.320 3.434 1.997 3.928 . 0 0 "[ . 1 . 2]" 1
887 1 45 LEU QB 1 49 ASN HD21 . . 4.540 3.922 3.031 4.540 . 0 0 "[ . 1 . 2]" 1
888 1 45 LEU QD 1 49 ASN HD21 . . 3.540 2.539 1.807 3.283 . 0 0 "[ . 1 . 2]" 1
889 1 45 LEU QD 1 49 ASN HD22 . . 4.030 2.721 2.100 3.201 . 0 0 "[ . 1 . 2]" 1
890 1 45 LEU MD1 1 49 ASN HD21 . . 4.980 3.697 1.911 4.935 . 0 0 "[ . 1 . 2]" 1
891 1 45 LEU MD2 1 49 ASN HD21 . . 4.980 3.013 2.202 4.952 . 0 0 "[ . 1 . 2]" 1
892 1 45 LEU HG 1 49 ASN HD21 . . 4.510 3.073 2.205 4.469 . 0 0 "[ . 1 . 2]" 1
893 1 45 LEU HG 1 49 ASN HD22 . . 5.500 3.331 2.193 4.754 . 0 0 "[ . 1 . 2]" 1
894 1 46 LEU H 1 46 LEU MD1 . . 3.940 3.229 1.989 3.682 . 0 0 "[ . 1 . 2]" 1
895 1 46 LEU H 1 46 LEU QD . . 3.430 2.567 1.906 2.892 . 0 0 "[ . 1 . 2]" 1
896 1 46 LEU H 1 46 LEU MD2 . . 3.940 3.136 1.913 3.942 0.002 15 0 "[ . 1 . 2]" 1
897 1 46 LEU H 1 46 LEU HG . . 5.500 2.496 1.969 3.910 . 0 0 "[ . 1 . 2]" 1
898 1 46 LEU H 1 47 GLU H . . 3.240 2.632 2.525 2.709 . 0 0 "[ . 1 . 2]" 1
899 1 46 LEU HA 1 46 LEU QB . . 2.490 2.344 2.273 2.438 . 0 0 "[ . 1 . 2]" 1
900 1 46 LEU HA 1 46 LEU MD1 . . 3.870 3.566 2.006 3.869 . 0 0 "[ . 1 . 2]" 1
901 1 46 LEU HA 1 46 LEU QD . . 2.760 2.291 1.963 2.777 0.017 15 0 "[ . 1 . 2]" 1
902 1 46 LEU HA 1 46 LEU MD2 . . 3.870 2.535 1.971 3.727 . 0 0 "[ . 1 . 2]" 1
903 1 46 LEU HA 1 49 ASN H . . 3.620 3.412 3.310 3.624 0.004 13 0 "[ . 1 . 2]" 1
904 1 46 LEU HA 1 49 ASN HB2 . . 4.800 2.825 2.447 4.750 . 0 0 "[ . 1 . 2]" 1
905 1 46 LEU HA 1 49 ASN QB . . 3.990 2.754 2.425 4.113 0.123 10 0 "[ . 1 . 2]" 1
906 1 46 LEU HA 1 49 ASN HB3 . . 4.800 4.103 3.659 4.505 . 0 0 "[ . 1 . 2]" 1
907 1 46 LEU QB 1 51 GLU H . . 5.340 3.315 2.894 4.031 . 0 0 "[ . 1 . 2]" 1
908 1 46 LEU QB 1 53 TYR QD . . 5.340 4.568 4.279 4.934 . 0 0 "[ . 1 . 2]" 1
909 1 46 LEU HB2 1 47 GLU H . . 5.500 2.924 2.831 3.020 . 0 0 "[ . 1 . 2]" 1
910 1 46 LEU HB2 1 50 GLY H . . 5.500 5.496 5.434 5.540 0.040 13 0 "[ . 1 . 2]" 1
911 1 46 LEU HB3 1 47 GLU H . . 5.500 3.922 3.733 4.052 . 0 0 "[ . 1 . 2]" 1
912 1 46 LEU HB3 1 50 GLY H . . 5.500 4.841 4.695 5.051 . 0 0 "[ . 1 . 2]" 1
913 1 46 LEU QD 1 47 GLU H . . 4.600 4.043 3.791 4.191 . 0 0 "[ . 1 . 2]" 1
914 1 46 LEU QD 1 51 GLU HA . . 5.440 4.566 3.795 5.169 . 0 0 "[ . 1 . 2]" 1
915 1 46 LEU QD 1 51 GLU QG . . 4.540 3.365 2.307 4.113 . 0 0 "[ . 1 . 2]" 1
916 1 46 LEU QD 1 53 TYR HA . . 4.360 3.222 2.805 3.743 . 0 0 "[ . 1 . 2]" 1
917 1 46 LEU QD 1 53 TYR QB . . 3.470 2.002 1.891 2.401 . 0 0 "[ . 1 . 2]" 1
918 1 46 LEU QD 1 53 TYR QD . . 3.780 2.446 2.129 3.209 . 0 0 "[ . 1 . 2]" 1
919 1 46 LEU MD1 1 47 GLU H . . 5.400 4.533 3.997 4.825 . 0 0 "[ . 1 . 2]" 1
920 1 46 LEU MD1 1 53 TYR QB . . 4.550 2.460 1.895 4.105 . 0 0 "[ . 1 . 2]" 1
921 1 46 LEU MD2 1 47 GLU H . . 5.400 4.662 3.999 5.061 . 0 0 "[ . 1 . 2]" 1
922 1 46 LEU MD2 1 53 TYR QB . . 4.550 3.393 1.895 4.199 . 0 0 "[ . 1 . 2]" 1
923 1 46 LEU HG 1 47 GLU H . . 5.500 4.492 4.020 5.352 . 0 0 "[ . 1 . 2]" 1
924 1 47 GLU H 1 47 GLU QG . . 3.750 3.181 2.328 3.670 . 0 0 "[ . 1 . 2]" 1
925 1 47 GLU H 1 48 ARG H . . 3.350 2.508 2.416 2.612 . 0 0 "[ . 1 . 2]" 1
926 1 47 GLU QB 1 47 GLU QG . . 2.330 2.034 2.013 2.083 . 0 0 "[ . 1 . 2]" 1
927 1 47 GLU QB 1 48 ARG QD . . 3.930 3.474 2.783 3.916 . 0 0 "[ . 1 . 2]" 1
928 1 48 ARG H 1 48 ARG QD . . 3.830 3.332 2.674 3.827 . 0 0 "[ . 1 . 2]" 1
929 1 48 ARG HA 1 48 ARG QD . . 4.040 2.461 2.059 3.468 . 0 0 "[ . 1 . 2]" 1
930 1 48 ARG HA 1 48 ARG QG . . 3.320 2.455 2.009 2.941 . 0 0 "[ . 1 . 2]" 1
931 1 48 ARG QB 1 48 ARG QD . . 3.210 2.261 2.025 2.788 . 0 0 "[ . 1 . 2]" 1
932 1 48 ARG QB 1 49 ASN H . . 5.500 2.756 2.536 2.958 . 0 0 "[ . 1 . 2]" 1
933 1 49 ASN H 1 49 ASN HB2 . . 3.590 2.306 2.130 3.594 0.004 10 0 "[ . 1 . 2]" 1
934 1 49 ASN H 1 49 ASN QB . . 3.150 2.237 2.109 2.662 . 0 0 "[ . 1 . 2]" 1
935 1 49 ASN H 1 49 ASN HB3 . . 3.590 3.474 2.743 3.577 . 0 0 "[ . 1 . 2]" 1
936 1 49 ASN H 1 49 ASN HD21 . . 5.080 3.721 3.415 4.095 . 0 0 "[ . 1 . 2]" 1
937 1 49 ASN H 1 50 GLY H . . 3.410 2.353 2.216 2.461 . 0 0 "[ . 1 . 2]" 1
938 1 49 ASN QB 1 49 ASN HD21 . . 2.510 2.129 2.088 2.174 . 0 0 "[ . 1 . 2]" 1
939 1 49 ASN QB 1 49 ASN HD22 . . 3.390 3.217 3.213 3.225 . 0 0 "[ . 1 . 2]" 1
940 1 49 ASN QB 1 50 GLY H . . 4.030 3.033 2.972 3.666 . 0 0 "[ . 1 . 2]" 1
941 1 49 ASN QB 1 50 GLY QA . . 5.180 4.097 4.059 4.510 . 0 0 "[ . 1 . 2]" 1
942 1 49 ASN QB 1 51 GLU H . . 3.920 3.159 2.674 3.528 . 0 0 "[ . 1 . 2]" 1
943 1 49 ASN QB 1 51 GLU QG . . 3.350 2.595 2.051 3.168 . 0 0 "[ . 1 . 2]" 1
944 1 49 ASN HB2 1 49 ASN HD22 . . 3.910 3.478 3.435 3.851 . 0 0 "[ . 1 . 2]" 1
945 1 49 ASN HB2 1 51 GLU H . . 4.560 3.447 2.989 3.930 . 0 0 "[ . 1 . 2]" 1
946 1 49 ASN HB2 1 51 GLU QG . . 3.820 3.342 2.064 3.800 . 0 0 "[ . 1 . 2]" 1
947 1 49 ASN HB3 1 49 ASN HD22 . . 3.910 3.810 3.449 3.910 0.000 13 0 "[ . 1 . 2]" 1
948 1 49 ASN HB3 1 51 GLU H . . 4.560 3.750 2.802 4.582 0.022 10 0 "[ . 1 . 2]" 1
949 1 49 ASN HB3 1 51 GLU QG . . 3.820 2.793 2.117 3.542 . 0 0 "[ . 1 . 2]" 1
950 1 49 ASN HD21 1 51 GLU QG . . 5.140 4.174 3.248 4.840 . 0 0 "[ . 1 . 2]" 1
951 1 50 GLY H 1 50 GLY QA . . 2.740 2.226 2.196 2.241 . 0 0 "[ . 1 . 2]" 1
952 1 50 GLY H 1 51 GLU H . . 3.780 2.492 2.362 2.717 . 0 0 "[ . 1 . 2]" 1
953 1 50 GLY H 1 51 GLU QB . . 5.340 4.311 4.138 4.671 . 0 0 "[ . 1 . 2]" 1
954 1 50 GLY H 1 51 GLU QG . . 5.500 4.549 3.876 4.855 . 0 0 "[ . 1 . 2]" 1
955 1 50 GLY QA 1 51 GLU H . . 3.350 2.767 2.642 2.868 . 0 0 "[ . 1 . 2]" 1
956 1 50 GLY QA 1 51 GLU QG . . 4.720 4.462 4.075 4.723 0.003 13 0 "[ . 1 . 2]" 1
957 1 50 GLY QA 1 52 ASP H . . 5.110 4.900 4.658 5.101 . 0 0 "[ . 1 . 2]" 1
958 1 51 GLU H 1 52 ASP H . . 5.500 4.364 4.255 4.483 . 0 0 "[ . 1 . 2]" 1
959 1 51 GLU HA 1 52 ASP H . . 2.770 2.145 2.137 2.170 . 0 0 "[ . 1 . 2]" 1
960 1 51 GLU HA 1 52 ASP QB . . 5.060 4.454 4.187 4.651 . 0 0 "[ . 1 . 2]" 1
961 1 51 GLU QB 1 51 GLU QG . . 2.440 2.039 1.992 2.086 . 0 0 "[ . 1 . 2]" 1
962 1 51 GLU HB2 1 52 ASP H . . 5.500 4.478 4.293 4.575 . 0 0 "[ . 1 . 2]" 1
963 1 51 GLU HB3 1 52 ASP H . . 5.500 3.649 3.456 3.824 . 0 0 "[ . 1 . 2]" 1
964 1 51 GLU QG 1 52 ASP H . . 5.500 4.186 3.693 4.668 . 0 0 "[ . 1 . 2]" 1
965 1 52 ASP H 1 52 ASP QB . . 2.990 2.520 2.214 2.703 . 0 0 "[ . 1 . 2]" 1
966 1 52 ASP H 1 53 TYR H . . 4.460 4.318 4.200 4.464 0.004 5 0 "[ . 1 . 2]" 1
967 1 52 ASP HA 1 53 TYR H . . 2.790 2.176 2.139 2.224 . 0 0 "[ . 1 . 2]" 1
968 1 52 ASP QB 1 53 TYR H . . 3.810 3.594 3.438 3.739 . 0 0 "[ . 1 . 2]" 1
969 1 52 ASP QB 1 53 TYR HA . . 5.470 4.588 4.341 4.764 . 0 0 "[ . 1 . 2]" 1
970 1 52 ASP QB 1 54 ILE MD . . 4.420 4.160 4.009 4.327 . 0 0 "[ . 1 . 2]" 1
971 1 52 ASP QB 1 54 ILE HG12 . . 4.450 4.388 4.318 4.460 0.010 6 0 "[ . 1 . 2]" 1
972 1 52 ASP QB 1 54 ILE HG13 . . 4.150 3.969 3.859 4.073 . 0 0 "[ . 1 . 2]" 1
973 1 53 TYR H 1 53 TYR QB . . 3.050 2.219 2.200 2.277 . 0 0 "[ . 1 . 2]" 1
974 1 53 TYR H 1 53 TYR QD . . 4.390 4.053 4.016 4.077 . 0 0 "[ . 1 . 2]" 1
975 1 53 TYR H 1 54 ILE H . . 4.930 4.599 4.552 4.619 . 0 0 "[ . 1 . 2]" 1
976 1 53 TYR HA 1 54 ILE H . . 2.740 2.252 2.248 2.254 . 0 0 "[ . 1 . 2]" 1
977 1 53 TYR HA 1 54 ILE HB . . 4.760 4.525 4.508 4.550 . 0 0 "[ . 1 . 2]" 1
978 1 53 TYR HA 1 54 ILE HG12 . . 5.080 4.922 4.876 4.952 . 0 0 "[ . 1 . 2]" 1
979 1 53 TYR QB 1 54 ILE H . . 3.700 3.502 3.496 3.508 . 0 0 "[ . 1 . 2]" 1
980 1 53 TYR QD 1 55 CYS H . . 4.780 3.546 3.534 3.563 . 0 0 "[ . 1 . 2]" 1
981 1 53 TYR QD 1 55 CYS HA . . 4.380 4.272 4.256 4.285 . 0 0 "[ . 1 . 2]" 1
982 1 53 TYR QD 1 55 CYS HB3 . . 4.700 4.451 4.415 4.478 . 0 0 "[ . 1 . 2]" 1
983 1 53 TYR QE 1 55 CYS H . . 4.810 3.049 3.034 3.066 . 0 0 "[ . 1 . 2]" 1
984 1 53 TYR QE 1 55 CYS HA . . 3.720 2.461 2.446 2.495 . 0 0 "[ . 1 . 2]" 1
985 1 53 TYR QE 1 55 CYS HB2 . . 4.050 3.887 3.859 3.901 . 0 0 "[ . 1 . 2]" 1
986 1 53 TYR QE 1 55 CYS HB3 . . 3.720 2.703 2.663 2.743 . 0 0 "[ . 1 . 2]" 1
987 1 53 TYR QE 1 56 PRO HD2 . . 5.310 4.175 4.152 4.191 . 0 0 "[ . 1 . 2]" 1
988 1 53 TYR QE 1 56 PRO HD3 . . 4.610 3.834 3.818 3.852 . 0 0 "[ . 1 . 2]" 1
989 1 54 ILE H 1 54 ILE HB . . 3.230 2.704 2.697 2.718 . 0 0 "[ . 1 . 2]" 1
990 1 54 ILE H 1 54 ILE MD . . 4.480 4.203 4.176 4.218 . 0 0 "[ . 1 . 2]" 1
991 1 54 ILE H 1 54 ILE HG12 . . 4.260 4.019 3.989 4.037 . 0 0 "[ . 1 . 2]" 1
992 1 54 ILE H 1 54 ILE HG13 . . 3.930 3.000 2.952 3.032 . 0 0 "[ . 1 . 2]" 1
993 1 54 ILE H 1 54 ILE MG . . 4.100 3.864 3.856 3.876 . 0 0 "[ . 1 . 2]" 1
994 1 54 ILE H 1 55 CYS H . . 5.290 4.110 4.099 4.116 . 0 0 "[ . 1 . 2]" 1
995 1 54 ILE HA 1 54 ILE MD . . 4.000 3.798 3.790 3.812 . 0 0 "[ . 1 . 2]" 1
996 1 54 ILE HA 1 54 ILE HG12 . . 3.580 2.480 2.464 2.502 . 0 0 "[ . 1 . 2]" 1
997 1 54 ILE HA 1 54 ILE HG13 . . 3.730 3.049 3.040 3.066 . 0 0 "[ . 1 . 2]" 1
998 1 54 ILE HA 1 54 ILE MG . . 3.170 2.393 2.352 2.417 . 0 0 "[ . 1 . 2]" 1
999 1 54 ILE HA 1 55 CYS H . . 2.710 2.147 2.146 2.149 . 0 0 "[ . 1 . 2]" 1
1000 1 54 ILE HB 1 54 ILE MD . . 3.500 2.439 2.415 2.454 . 0 0 "[ . 1 . 2]" 1
1001 1 54 ILE HB 1 55 CYS H . . 4.620 4.361 4.347 4.368 . 0 0 "[ . 1 . 2]" 1
1002 1 54 ILE HB 1 58 CYS HB2 . . 5.310 4.902 4.821 4.973 . 0 0 "[ . 1 . 2]" 1
1003 1 54 ILE MD 1 55 CYS H . . 5.500 5.272 5.254 5.295 . 0 0 "[ . 1 . 2]" 1
1004 1 54 ILE MD 1 58 CYS HB2 . . 4.680 4.512 4.425 4.650 . 0 0 "[ . 1 . 2]" 1
1005 1 54 ILE MD 1 59 THR HA . . 4.620 4.363 4.306 4.469 . 0 0 "[ . 1 . 2]" 1
1006 1 54 ILE MD 1 59 THR HB . . 5.490 4.531 4.412 4.582 . 0 0 "[ . 1 . 2]" 1
1007 1 54 ILE HG12 1 55 CYS H . . 4.900 4.494 4.467 4.527 . 0 0 "[ . 1 . 2]" 1
1008 1 54 ILE HG13 1 54 ILE MG . . 3.240 3.196 3.185 3.203 . 0 0 "[ . 1 . 2]" 1
1009 1 54 ILE HG13 1 55 CYS H . . 5.350 5.126 5.120 5.138 . 0 0 "[ . 1 . 2]" 1
1010 1 54 ILE MG 1 55 CYS H . . 3.350 2.934 2.760 3.036 . 0 0 "[ . 1 . 2]" 1
1011 1 54 ILE MG 1 58 CYS H . . 4.090 3.560 3.531 3.590 . 0 0 "[ . 1 . 2]" 1
1012 1 54 ILE MG 1 58 CYS HB2 . . 2.840 2.167 2.087 2.235 . 0 0 "[ . 1 . 2]" 1
1013 1 54 ILE MG 1 58 CYS HB3 . . 3.220 2.888 2.856 2.922 . 0 0 "[ . 1 . 2]" 1
1014 1 54 ILE MG 1 59 THR H . . 3.720 2.618 2.561 2.722 . 0 0 "[ . 1 . 2]" 1
1015 1 54 ILE MG 1 59 THR HA . . 3.120 3.151 3.136 3.160 0.040 11 0 "[ . 1 . 2]" 1
1016 1 54 ILE MG 1 59 THR HB . . 4.130 2.693 2.593 2.746 . 0 0 "[ . 1 . 2]" 1
1017 1 54 ILE MG 1 59 THR MG . . 4.020 3.797 3.756 3.868 . 0 0 "[ . 1 . 2]" 1
1018 1 54 ILE MG 1 60 ILE H . . 4.960 4.907 4.878 4.947 . 0 0 "[ . 1 . 2]" 1
1019 1 55 CYS H 1 55 CYS HB2 . . 3.740 3.597 3.596 3.598 . 0 0 "[ . 1 . 2]" 1
1020 1 55 CYS H 1 55 CYS HB3 . . 3.030 2.521 2.501 2.536 . 0 0 "[ . 1 . 2]" 1
1021 1 55 CYS H 1 56 PRO HD2 . . 4.950 4.728 4.725 4.730 . 0 0 "[ . 1 . 2]" 1
1022 1 55 CYS H 1 56 PRO HD3 . . 5.210 5.000 4.997 5.004 . 0 0 "[ . 1 . 2]" 1
1023 1 55 CYS H 1 58 CYS H . . 4.880 4.617 4.603 4.638 . 0 0 "[ . 1 . 2]" 1
1024 1 55 CYS HA 1 56 PRO HD2 . . 3.480 2.441 2.433 2.447 . 0 0 "[ . 1 . 2]" 1
1025 1 55 CYS HA 1 56 PRO HD3 . . 2.990 2.314 2.311 2.316 . 0 0 "[ . 1 . 2]" 1
1026 1 55 CYS HA 1 58 CYS H . . 5.180 4.971 4.955 4.985 . 0 0 "[ . 1 . 2]" 1
1027 1 55 CYS HB2 1 56 PRO HD2 . . 2.820 1.908 1.896 1.923 . 0 0 "[ . 1 . 2]" 1
1028 1 55 CYS HB2 1 56 PRO HD3 . . 3.400 3.364 3.353 3.378 . 0 0 "[ . 1 . 2]" 1
1029 1 55 CYS HB2 1 57 ASN H . . 3.680 2.557 2.539 2.581 . 0 0 "[ . 1 . 2]" 1
1030 1 55 CYS HB2 1 57 ASN HD21 . . 5.500 4.871 4.859 4.883 . 0 0 "[ . 1 . 2]" 1
1031 1 55 CYS HB3 1 56 PRO HD2 . . 3.580 3.231 3.215 3.254 . 0 0 "[ . 1 . 2]" 1
1032 1 55 CYS HB3 1 56 PRO HD3 . . 4.370 4.215 4.201 4.236 . 0 0 "[ . 1 . 2]" 1
1033 1 55 CYS HB3 1 57 ASN H . . 5.500 4.086 4.084 4.090 . 0 0 "[ . 1 . 2]" 1
1034 1 56 PRO HB2 1 57 ASN H . . 3.960 3.822 3.815 3.829 . 0 0 "[ . 1 . 2]" 1
1035 1 56 PRO HB2 1 57 ASN HB2 . . 5.270 5.194 5.182 5.206 . 0 0 "[ . 1 . 2]" 1
1036 1 56 PRO HD3 1 57 ASN H . . 4.990 3.957 3.954 3.961 . 0 0 "[ . 1 . 2]" 1
1037 1 56 PRO QG 1 57 ASN H . . 5.500 3.030 3.020 3.041 . 0 0 "[ . 1 . 2]" 1
1038 1 57 ASN H 1 57 ASN HB2 . . 2.920 2.167 2.164 2.170 . 0 0 "[ . 1 . 2]" 1
1039 1 57 ASN H 1 57 ASN HB3 . . 3.470 3.136 3.130 3.144 . 0 0 "[ . 1 . 2]" 1
1040 1 57 ASN H 1 57 ASN HD21 . . 4.610 4.475 4.468 4.484 . 0 0 "[ . 1 . 2]" 1
1041 1 57 ASN H 1 57 ASN HD22 . . 5.480 5.518 5.508 5.525 0.045 13 0 "[ . 1 . 2]" 1
1042 1 57 ASN H 1 59 THR H . . 4.450 3.878 3.848 3.907 . 0 0 "[ . 1 . 2]" 1
1043 1 57 ASN HA 1 57 ASN HB3 . . 3.000 2.896 2.892 2.899 . 0 0 "[ . 1 . 2]" 1
1044 1 57 ASN HA 1 59 THR H . . 5.500 4.729 4.689 4.751 . 0 0 "[ . 1 . 2]" 1
1045 1 57 ASN HB2 1 57 ASN HD21 . . 3.160 2.327 2.322 2.332 . 0 0 "[ . 1 . 2]" 1
1046 1 57 ASN HB2 1 57 ASN HD22 . . 3.660 3.517 3.515 3.519 . 0 0 "[ . 1 . 2]" 1
1047 1 57 ASN HB2 1 58 CYS H . . 3.530 3.279 3.267 3.293 . 0 0 "[ . 1 . 2]" 1
1048 1 57 ASN HB3 1 57 ASN HD22 . . 3.750 3.716 3.713 3.718 . 0 0 "[ . 1 . 2]" 1
1049 1 57 ASN HB3 1 58 CYS H . . 3.420 2.830 2.812 2.846 . 0 0 "[ . 1 . 2]" 1
1050 1 57 ASN HB3 1 60 ILE QG . . 5.340 4.827 4.707 5.019 . 0 0 "[ . 1 . 2]" 1
1051 1 58 CYS H 1 58 CYS HB2 . . 2.670 2.335 2.316 2.353 . 0 0 "[ . 1 . 2]" 1
1052 1 58 CYS H 1 59 THR H . . 2.620 2.503 2.496 2.510 . 0 0 "[ . 1 . 2]" 1
1053 1 58 CYS H 1 59 THR HA . . 5.130 5.117 5.112 5.124 . 0 0 "[ . 1 . 2]" 1
1054 1 58 CYS H 1 59 THR MG . . 5.180 3.828 3.799 3.865 . 0 0 "[ . 1 . 2]" 1
1055 1 58 CYS H 1 61 LEU QB . . 5.340 4.668 4.142 5.161 . 0 0 "[ . 1 . 2]" 1
1056 1 58 CYS HA 1 61 LEU QD . . 4.700 3.878 2.383 4.627 . 0 0 "[ . 1 . 2]" 1
1057 1 58 CYS HB2 1 59 THR H . . 3.490 2.624 2.601 2.654 . 0 0 "[ . 1 . 2]" 1
1058 1 58 CYS HB3 1 59 THR H . . 4.620 3.478 3.449 3.504 . 0 0 "[ . 1 . 2]" 1
1059 1 59 THR H 1 59 THR HB . . 3.220 2.391 2.382 2.399 . 0 0 "[ . 1 . 2]" 1
1060 1 59 THR H 1 59 THR MG . . 3.550 2.370 2.351 2.393 . 0 0 "[ . 1 . 2]" 1
1061 1 59 THR HA 1 59 THR MG . . 3.270 3.199 3.198 3.201 . 0 0 "[ . 1 . 2]" 1
1062 1 59 THR HB 1 60 ILE H . . 4.020 3.951 3.943 3.957 . 0 0 "[ . 1 . 2]" 1
1063 1 59 THR HB 1 60 ILE MG . . 5.090 4.401 4.354 4.444 . 0 0 "[ . 1 . 2]" 1
1064 1 59 THR MG 1 60 ILE H . . 3.810 2.184 2.143 2.249 . 0 0 "[ . 1 . 2]" 1
1065 1 59 THR MG 1 60 ILE HA . . 3.890 3.486 3.384 3.592 . 0 0 "[ . 1 . 2]" 1
1066 1 60 ILE H 1 60 ILE HG12 . . 3.740 3.247 3.088 3.313 . 0 0 "[ . 1 . 2]" 1
1067 1 60 ILE H 1 60 ILE QG . . 3.160 1.980 1.934 2.125 . 0 0 "[ . 1 . 2]" 1
1068 1 60 ILE H 1 60 ILE HG13 . . 3.740 1.998 1.948 2.165 . 0 0 "[ . 1 . 2]" 1
1069 1 60 ILE H 1 60 ILE MG . . 3.800 2.776 2.633 2.905 . 0 0 "[ . 1 . 2]" 1
1070 1 60 ILE HA 1 60 ILE HB . . 2.550 2.434 2.410 2.445 . 0 0 "[ . 1 . 2]" 1
1071 1 60 ILE HA 1 60 ILE MD . . 3.930 3.719 3.625 3.810 . 0 0 "[ . 1 . 2]" 1
1072 1 60 ILE HA 1 60 ILE MG . . 3.310 2.276 2.262 2.314 . 0 0 "[ . 1 . 2]" 1
1073 1 60 ILE HB 1 61 LEU H . . 5.500 4.224 4.010 4.471 . 0 0 "[ . 1 . 2]" 1
1074 1 60 ILE QG 1 61 LEU H . . 3.970 2.776 2.192 3.421 . 0 0 "[ . 1 . 2]" 1
1075 1 60 ILE MG 1 61 LEU H . . 4.550 4.130 3.973 4.292 . 0 0 "[ . 1 . 2]" 1
1076 1 61 LEU H 1 61 LEU MD1 . . 5.000 4.266 3.985 4.763 . 0 0 "[ . 1 . 2]" 1
1077 1 61 LEU H 1 61 LEU QD . . 3.980 3.762 3.197 3.983 0.003 1 0 "[ . 1 . 2]" 1
1078 1 61 LEU H 1 61 LEU MD2 . . 5.000 4.278 3.285 4.957 . 0 0 "[ . 1 . 2]" 1
1079 1 61 LEU HA 1 61 LEU MD1 . . 4.680 2.575 2.035 3.708 . 0 0 "[ . 1 . 2]" 1
1080 1 61 LEU HA 1 61 LEU QD . . 3.580 2.332 1.879 3.087 . 0 0 "[ . 1 . 2]" 1
1081 1 61 LEU HA 1 61 LEU MD2 . . 4.680 3.198 1.972 3.948 . 0 0 "[ . 1 . 2]" 1
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