NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395920 |
1s6d   |
6082 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s6d
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 1290
_Distance_constraint_stats_list.Viol_count 1488
_Distance_constraint_stats_list.Viol_total 2641.559
_Distance_constraint_stats_list.Viol_max 0.613
_Distance_constraint_stats_list.Viol_rms 0.0296
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0888
_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 4 ARG 0.120 0.099 9 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.359 0.067 5 0 "[ . 1 . 2]"
1 7 THR 0.898 0.075 12 0 "[ . 1 . 2]"
1 8 GLU 1.744 0.232 12 0 "[ . 1 . 2]"
1 9 SER 1.602 0.232 12 0 "[ . 1 . 2]"
1 10 GLY 0.407 0.049 12 0 "[ . 1 . 2]"
1 11 CYS 2.915 0.145 2 0 "[ . 1 . 2]"
1 12 TYR 4.427 0.394 15 0 "[ . 1 . 2]"
1 13 GLN 1.768 0.183 15 0 "[ . 1 . 2]"
1 14 GLN 6.174 0.289 19 0 "[ . 1 . 2]"
1 15 MET 7.078 0.432 15 0 "[ . 1 . 2]"
1 16 GLU 2.937 0.432 15 0 "[ . 1 . 2]"
1 17 GLU 0.785 0.072 14 0 "[ . 1 . 2]"
1 18 ALA 16.021 0.482 18 0 "[ . 1 . 2]"
1 19 GLU 1.752 0.156 5 0 "[ . 1 . 2]"
1 20 MET 12.649 0.482 18 0 "[ . 1 . 2]"
1 21 LEU 2.619 0.272 9 0 "[ . 1 . 2]"
1 22 ASN 2.307 0.272 9 0 "[ . 1 . 2]"
1 23 HIS 2.238 0.219 2 0 "[ . 1 . 2]"
1 24 CYS 2.492 0.206 19 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 MET 1.485 0.138 19 0 "[ . 1 . 2]"
1 27 TYR 5.424 0.613 4 4 "[ +- * * 2]"
1 28 LEU 3.073 0.383 13 0 "[ . 1 . 2]"
1 29 MET 3.664 0.249 15 0 "[ . 1 . 2]"
1 30 LYS 1.400 0.276 15 0 "[ . 1 . 2]"
1 31 ASN 2.727 0.249 15 0 "[ . 1 . 2]"
1 32 LEU 2.600 0.284 17 0 "[ . 1 . 2]"
1 33 GLY 0.698 0.284 17 0 "[ . 1 . 2]"
1 34 GLU 0.210 0.062 11 0 "[ . 1 . 2]"
1 35 ARG 0.123 0.062 11 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.033 0.033 15 0 "[ . 1 . 2]"
1 40 PRO 0.162 0.065 5 0 "[ . 1 . 2]"
1 41 ARG 3.103 0.233 3 0 "[ . 1 . 2]"
1 42 MET 0.258 0.156 9 0 "[ . 1 . 2]"
1 43 ARG 0.050 0.030 19 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.375 0.106 14 0 "[ . 1 . 2]"
1 47 HIS 0.797 0.219 2 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.516 0.178 15 0 "[ . 1 . 2]"
1 50 LEU 5.075 0.300 4 0 "[ . 1 . 2]"
1 51 CYS 0.384 0.176 19 0 "[ . 1 . 2]"
1 52 CYS 3.037 0.300 4 0 "[ . 1 . 2]"
1 53 MET 0.979 0.131 7 0 "[ . 1 . 2]"
1 54 GLN 0.658 0.304 9 0 "[ . 1 . 2]"
1 55 LEU 2.051 0.221 16 0 "[ . 1 . 2]"
1 56 LYS 3.418 0.304 9 0 "[ . 1 . 2]"
1 57 ASN 0.953 0.300 11 0 "[ . 1 . 2]"
1 58 LEU 3.425 0.300 11 0 "[ . 1 . 2]"
1 59 ASP 0.097 0.057 15 0 "[ . 1 . 2]"
1 60 GLU 0.839 0.184 16 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.676 0.106 9 0 "[ . 1 . 2]"
1 63 MET 1.001 0.184 16 0 "[ . 1 . 2]"
1 64 CYS 3.936 0.190 15 0 "[ . 1 . 2]"
1 65 PRO 2.315 0.190 15 0 "[ . 1 . 2]"
1 66 ALA 4.344 0.244 15 0 "[ . 1 . 2]"
1 67 ILE 0.753 0.110 19 0 "[ . 1 . 2]"
1 68 MET 1.057 0.163 15 0 "[ . 1 . 2]"
1 69 MET 7.387 0.244 15 0 "[ . 1 . 2]"
1 70 MET 2.052 0.267 11 0 "[ . 1 . 2]"
1 71 LEU 0.392 0.087 3 0 "[ . 1 . 2]"
1 72 ASN 1.282 0.132 17 0 "[ . 1 . 2]"
1 73 GLU 2.520 0.201 4 0 "[ . 1 . 2]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 MET 2.520 0.201 4 0 "[ . 1 . 2]"
1 76 TRP 4.677 0.373 20 0 "[ . 1 . 2]"
1 77 ILE 6.554 0.384 16 0 "[ . 1 . 2]"
1 78 ARG 4.914 0.384 16 0 "[ . 1 . 2]"
1 79 MET 1.143 0.180 19 0 "[ . 1 . 2]"
1 80 ARG 5.809 0.275 16 0 "[ . 1 . 2]"
1 81 ASP 0.689 0.202 20 0 "[ . 1 . 2]"
1 82 GLN 2.392 0.153 9 0 "[ . 1 . 2]"
1 83 VAL 1.322 0.221 7 0 "[ . 1 . 2]"
1 84 MET 0.507 0.221 7 0 "[ . 1 . 2]"
1 85 SER 0.296 0.153 18 0 "[ . 1 . 2]"
1 86 MET 3.593 0.383 13 0 "[ . 1 . 2]"
1 87 ALA 1.111 0.161 17 0 "[ . 1 . 2]"
1 88 HIS 2.608 0.257 13 0 "[ . 1 . 2]"
1 89 ASN 3.867 0.263 13 0 "[ . 1 . 2]"
1 90 LEU 4.676 0.613 4 4 "[ +- * * 2]"
1 91 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 1.844 0.262 20 0 "[ . 1 . 2]"
1 93 GLU 1.773 0.112 11 0 "[ . 1 . 2]"
1 94 CYS 2.620 0.317 20 0 "[ . 1 . 2]"
1 95 ASN 2.031 0.262 20 0 "[ . 1 . 2]"
1 96 LEU 0.331 0.317 20 0 "[ . 1 . 2]"
1 97 MET 7.381 0.514 11 2 "[ . 1+ . -2]"
1 98 SER 0.007 0.007 11 0 "[ . 1 . 2]"
1 99 GLN 7.716 0.514 11 2 "[ . 1+ . -2]"
1 100 PRO 2.519 0.133 18 0 "[ . 1 . 2]"
1 101 CYS 1.203 0.136 11 0 "[ . 1 . 2]"
1 102 GLN 2.110 0.115 6 0 "[ . 1 . 2]"
1 103 MET 1.698 0.115 6 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 4 ARG H 1 4 ARG HB2 . . 3.160 2.662 2.149 3.072 . 0 0 "[ . 1 . 2]" 1
2 1 4 ARG H 1 4 ARG QB . . 2.890 2.452 2.121 2.694 . 0 0 "[ . 1 . 2]" 1
3 1 4 ARG H 1 4 ARG HB3 . . 3.160 2.953 2.573 3.259 0.099 9 0 "[ . 1 . 2]" 1
4 1 4 ARG H 1 4 ARG QG . . 5.000 4.084 3.927 4.266 . 0 0 "[ . 1 . 2]" 1
5 1 4 ARG HA 1 5 GLY H . . 3.360 2.376 2.135 3.219 . 0 0 "[ . 1 . 2]" 1
6 1 4 ARG QD 1 5 GLY QA . . 7.750 4.981 2.613 5.844 . 0 0 "[ . 1 . 2]" 1
7 1 6 ARG H 1 6 ARG HB2 . . 3.530 3.040 2.174 3.597 0.067 5 0 "[ . 1 . 2]" 1
8 1 6 ARG H 1 6 ARG QB . . 3.330 2.591 2.149 2.984 . 0 0 "[ . 1 . 2]" 1
9 1 6 ARG H 1 6 ARG HB3 . . 3.530 3.158 2.336 3.584 0.054 15 0 "[ . 1 . 2]" 1
10 1 6 ARG HA 1 7 THR H . . 2.730 2.353 2.127 2.626 . 0 0 "[ . 1 . 2]" 1
11 1 6 ARG QB 1 7 THR HA . . 6.290 4.187 3.745 4.591 . 0 0 "[ . 1 . 2]" 1
12 1 6 ARG QB 1 7 THR MG . . 6.190 4.119 3.749 4.412 . 0 0 "[ . 1 . 2]" 1
13 1 6 ARG HB2 1 7 THR MG . . 6.660 4.859 3.935 5.349 . 0 0 "[ . 1 . 2]" 1
14 1 6 ARG HB3 1 7 THR MG . . 6.660 4.590 3.908 5.367 . 0 0 "[ . 1 . 2]" 1
15 1 6 ARG QG 1 7 THR H . . 5.690 3.170 1.935 4.046 . 0 0 "[ . 1 . 2]" 1
16 1 7 THR H 1 7 THR HB . . 3.860 3.795 3.466 3.926 0.066 6 0 "[ . 1 . 2]" 1
17 1 7 THR H 1 8 GLU H . . 4.320 4.258 3.658 4.395 0.075 12 0 "[ . 1 . 2]" 1
18 1 7 THR HA 1 8 GLU H . . 2.930 2.482 2.107 2.838 . 0 0 "[ . 1 . 2]" 1
19 1 7 THR HB 1 8 GLU H . . 3.920 2.730 1.899 3.950 0.030 13 0 "[ . 1 . 2]" 1
20 1 7 THR HB 1 8 GLU QB . . 6.880 4.685 3.800 5.780 . 0 0 "[ . 1 . 2]" 1
21 1 7 THR MG 1 8 GLU H . . 7.030 3.705 3.409 4.241 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLU H 1 8 GLU HB2 . . 3.580 2.691 2.181 3.622 0.042 6 0 "[ . 1 . 2]" 1
23 1 8 GLU H 1 8 GLU HB3 . . 3.580 3.398 2.452 3.625 0.045 7 0 "[ . 1 . 2]" 1
24 1 8 GLU HA 1 9 SER H . . 3.260 2.707 2.333 3.492 0.232 12 0 "[ . 1 . 2]" 1
25 1 8 GLU HB2 1 9 SER H . . 3.330 3.066 1.910 3.439 0.109 19 0 "[ . 1 . 2]" 1
26 1 8 GLU HB3 1 9 SER H . . 3.330 2.417 1.911 3.425 0.095 8 0 "[ . 1 . 2]" 1
27 1 8 GLU QG 1 9 SER H . . 6.740 3.720 1.985 4.590 . 0 0 "[ . 1 . 2]" 1
28 1 9 SER H 1 9 SER HB2 . . 3.330 2.980 2.075 3.417 0.087 9 0 "[ . 1 . 2]" 1
29 1 9 SER H 1 9 SER QB . . 3.100 2.687 2.057 2.937 . 0 0 "[ . 1 . 2]" 1
30 1 9 SER H 1 9 SER HB3 . . 3.330 3.232 2.269 3.376 0.046 1 0 "[ . 1 . 2]" 1
31 1 9 SER H 1 10 GLY H . . 4.660 4.557 4.381 4.679 0.019 15 0 "[ . 1 . 2]" 1
32 1 9 SER HA 1 10 GLY H . . 2.900 2.512 2.154 2.773 . 0 0 "[ . 1 . 2]" 1
33 1 9 SER QB 1 13 GLN QB . . 4.450 3.156 2.081 3.605 . 0 0 "[ . 1 . 2]" 1
34 1 9 SER HB2 1 10 GLY H . . 3.720 3.035 2.042 3.727 0.007 2 0 "[ . 1 . 2]" 1
35 1 9 SER HB3 1 10 GLY H . . 3.720 2.830 1.976 3.683 . 0 0 "[ . 1 . 2]" 1
36 1 10 GLY H 1 10 GLY HA2 . . 2.930 2.692 2.290 2.979 0.049 12 0 "[ . 1 . 2]" 1
37 1 10 GLY H 1 10 GLY HA3 . . 2.930 2.793 2.295 2.968 0.038 6 0 "[ . 1 . 2]" 1
38 1 10 GLY H 1 13 GLN HB2 . . 4.680 3.343 1.989 4.726 0.046 4 0 "[ . 1 . 2]" 1
39 1 10 GLY H 1 13 GLN QB . . 4.470 2.999 1.805 4.129 . 0 0 "[ . 1 . 2]" 1
40 1 10 GLY H 1 13 GLN HB3 . . 4.680 3.532 2.070 4.612 . 0 0 "[ . 1 . 2]" 1
41 1 11 CYS CB 1 62 CYS SG . . 3.100 2.997 2.896 3.132 0.032 14 0 "[ . 1 . 2]" 1
42 1 11 CYS H 1 11 CYS HA . . 2.930 2.798 2.734 2.963 0.033 4 0 "[ . 1 . 2]" 1
43 1 11 CYS H 1 11 CYS HB2 . . 3.460 2.557 2.238 2.801 . 0 0 "[ . 1 . 2]" 1
44 1 11 CYS H 1 11 CYS QB . . 3.130 2.500 2.211 2.704 . 0 0 "[ . 1 . 2]" 1
45 1 11 CYS H 1 11 CYS HB3 . . 3.460 3.560 3.450 3.605 0.145 2 0 "[ . 1 . 2]" 1
46 1 11 CYS HA 1 11 CYS HB2 . . 2.960 2.972 2.926 2.991 0.031 5 0 "[ . 1 . 2]" 1
47 1 11 CYS HA 1 11 CYS HB3 . . 2.960 2.429 2.302 2.690 . 0 0 "[ . 1 . 2]" 1
48 1 11 CYS HA 1 13 GLN H . . 4.910 4.378 3.871 4.708 . 0 0 "[ . 1 . 2]" 1
49 1 11 CYS HA 1 14 GLN H . . 3.620 3.339 2.872 3.729 0.109 16 0 "[ . 1 . 2]" 1
50 1 11 CYS HA 1 14 GLN HE21 . . 6.000 2.134 1.868 2.922 . 0 0 "[ . 1 . 2]" 1
51 1 11 CYS HA 1 14 GLN HE22 . . 6.000 2.624 2.214 3.503 . 0 0 "[ . 1 . 2]" 1
52 1 11 CYS HA 1 15 MET H . . 4.380 4.350 3.933 4.441 0.061 11 0 "[ . 1 . 2]" 1
53 1 11 CYS QB 1 14 GLN QE . . 5.570 3.187 1.835 4.136 . 0 0 "[ . 1 . 2]" 1
54 1 11 CYS QB 1 15 MET ME . . 5.530 3.654 2.847 4.124 . 0 0 "[ . 1 . 2]" 1
55 1 11 CYS QB 1 62 CYS HA . . 6.680 3.293 2.974 3.813 . 0 0 "[ . 1 . 2]" 1
56 1 11 CYS HB2 1 14 GLN HE21 . . 6.830 4.487 3.436 5.586 . 0 0 "[ . 1 . 2]" 1
57 1 11 CYS HB2 1 14 GLN HE22 . . 6.830 4.936 3.950 6.314 . 0 0 "[ . 1 . 2]" 1
58 1 11 CYS HB3 1 14 GLN HE21 . . 6.830 3.658 1.938 5.325 . 0 0 "[ . 1 . 2]" 1
59 1 11 CYS HB3 1 14 GLN HE22 . . 6.830 4.213 2.312 5.982 . 0 0 "[ . 1 . 2]" 1
60 1 11 CYS SG 1 62 CYS CB . . 3.100 3.021 2.914 3.129 0.029 14 0 "[ . 1 . 2]" 1
61 1 11 CYS SG 1 62 CYS SG . . 2.100 2.033 2.001 2.085 . 0 0 "[ . 1 . 2]" 1
62 1 12 TYR H 1 12 TYR HB2 . . 3.130 2.424 2.032 2.641 . 0 0 "[ . 1 . 2]" 1
63 1 12 TYR H 1 12 TYR HB3 . . 3.130 2.443 2.236 2.894 . 0 0 "[ . 1 . 2]" 1
64 1 12 TYR H 1 13 GLN H . . 3.290 2.998 2.449 3.160 . 0 0 "[ . 1 . 2]" 1
65 1 12 TYR H 1 14 GLN HE21 . . 6.000 4.647 4.286 5.328 . 0 0 "[ . 1 . 2]" 1
66 1 12 TYR H 1 14 GLN HE22 . . 6.000 5.411 4.690 5.978 . 0 0 "[ . 1 . 2]" 1
67 1 12 TYR HA 1 12 TYR HB2 . . 3.030 2.403 2.296 2.636 . 0 0 "[ . 1 . 2]" 1
68 1 12 TYR HA 1 13 GLN H . . 3.590 3.565 3.478 3.605 0.015 2 0 "[ . 1 . 2]" 1
69 1 12 TYR HA 1 14 GLN H . . 4.380 4.512 4.201 4.669 0.289 19 0 "[ . 1 . 2]" 1
70 1 12 TYR HA 1 14 GLN QE . . 5.950 5.211 4.479 5.571 . 0 0 "[ . 1 . 2]" 1
71 1 12 TYR HA 1 15 MET H . . 3.460 3.353 3.134 3.854 0.394 15 0 "[ . 1 . 2]" 1
72 1 12 TYR HA 1 15 MET QG . . 5.690 3.472 2.019 4.347 . 0 0 "[ . 1 . 2]" 1
73 1 12 TYR HA 1 58 LEU QD . . 8.500 4.793 4.343 5.195 . 0 0 "[ . 1 . 2]" 1
74 1 12 TYR HB2 1 13 GLN H . . 3.760 3.771 3.543 3.943 0.183 15 0 "[ . 1 . 2]" 1
75 1 12 TYR HB2 1 15 MET ME . . 7.030 3.346 3.069 3.575 . 0 0 "[ . 1 . 2]" 1
76 1 12 TYR HB3 1 13 GLN H . . 3.290 2.419 2.211 2.874 . 0 0 "[ . 1 . 2]" 1
77 1 12 TYR HB3 1 15 MET ME . . 5.580 4.459 4.349 4.548 . 0 0 "[ . 1 . 2]" 1
78 1 12 TYR QD 1 13 GLN H . . 8.140 3.392 2.908 4.349 . 0 0 "[ . 1 . 2]" 1
79 1 12 TYR QD 1 16 GLU QG . . 9.020 4.836 2.642 6.866 . 0 0 "[ . 1 . 2]" 1
80 1 12 TYR QD 1 69 MET HB3 . . 8.140 2.217 1.971 3.214 . 0 0 "[ . 1 . 2]" 1
81 1 12 TYR HD1 1 13 GLN HA . . 8.140 5.291 3.020 7.155 . 0 0 "[ . 1 . 2]" 1
82 1 12 TYR HD1 1 15 MET ME . . 8.380 2.809 2.099 4.861 . 0 0 "[ . 1 . 2]" 1
83 1 12 TYR HD1 1 15 MET QG . . 8.890 4.581 3.479 5.086 . 0 0 "[ . 1 . 2]" 1
84 1 12 TYR QE 1 15 MET QB . . 9.010 4.669 4.254 5.788 . 0 0 "[ . 1 . 2]" 1
85 1 12 TYR QE 1 15 MET QG . . 9.010 5.800 4.879 6.400 . 0 0 "[ . 1 . 2]" 1
86 1 12 TYR QE 1 16 GLU QG . . 9.010 4.917 2.936 7.281 . 0 0 "[ . 1 . 2]" 1
87 1 12 TYR QE 1 66 ALA HA . . 8.130 6.970 6.229 7.431 . 0 0 "[ . 1 . 2]" 1
88 1 12 TYR HE1 1 15 MET ME . . 9.160 4.449 3.627 5.991 . 0 0 "[ . 1 . 2]" 1
89 1 12 TYR HE1 1 69 MET HB3 . . 6.580 3.532 2.173 5.556 . 0 0 "[ . 1 . 2]" 1
90 1 13 GLN H 1 13 GLN HB2 . . 3.100 2.438 2.058 2.708 . 0 0 "[ . 1 . 2]" 1
91 1 13 GLN H 1 13 GLN QB . . 2.770 2.193 2.030 2.239 . 0 0 "[ . 1 . 2]" 1
92 1 13 GLN H 1 13 GLN HB3 . . 3.100 2.591 2.325 3.101 0.001 15 0 "[ . 1 . 2]" 1
93 1 13 GLN H 1 13 GLN HG2 . . 4.880 4.500 4.254 4.664 . 0 0 "[ . 1 . 2]" 1
94 1 13 GLN H 1 13 GLN QG . . 4.550 3.944 3.573 4.061 . 0 0 "[ . 1 . 2]" 1
95 1 13 GLN H 1 13 GLN HG3 . . 4.880 4.375 3.839 4.650 . 0 0 "[ . 1 . 2]" 1
96 1 13 GLN H 1 14 GLN H . . 4.450 2.785 2.516 3.023 . 0 0 "[ . 1 . 2]" 1
97 1 13 GLN HA 1 13 GLN QG . . 3.790 2.378 2.054 2.796 . 0 0 "[ . 1 . 2]" 1
98 1 13 GLN HA 1 16 GLU H . . 3.820 3.865 3.793 3.953 0.133 16 0 "[ . 1 . 2]" 1
99 1 13 GLN QB 1 14 GLN H . . 3.640 2.580 2.367 2.884 . 0 0 "[ . 1 . 2]" 1
100 1 13 GLN HB2 1 14 GLN H . . 4.150 3.829 3.448 4.068 . 0 0 "[ . 1 . 2]" 1
101 1 13 GLN HB3 1 14 GLN H . . 4.150 2.631 2.392 3.093 . 0 0 "[ . 1 . 2]" 1
102 1 13 GLN QG 1 14 GLN H . . 5.080 3.758 3.288 4.537 . 0 0 "[ . 1 . 2]" 1
103 1 13 GLN HG2 1 14 GLN H . . 5.370 4.167 3.384 4.932 . 0 0 "[ . 1 . 2]" 1
104 1 13 GLN HG3 1 14 GLN H . . 5.370 4.393 3.652 5.299 . 0 0 "[ . 1 . 2]" 1
105 1 14 GLN H 1 14 GLN QB . . 3.820 2.268 2.032 2.752 . 0 0 "[ . 1 . 2]" 1
106 1 14 GLN H 1 14 GLN QG . . 4.210 2.869 1.907 3.544 . 0 0 "[ . 1 . 2]" 1
107 1 14 GLN H 1 15 MET H . . 3.030 2.570 2.274 2.741 . 0 0 "[ . 1 . 2]" 1
108 1 14 GLN HA 1 15 MET H . . 3.290 3.435 3.353 3.547 0.257 15 0 "[ . 1 . 2]" 1
109 1 14 GLN HA 1 17 GLU HB2 . . 3.670 3.214 2.719 3.630 . 0 0 "[ . 1 . 2]" 1
110 1 14 GLN HA 1 17 GLU QB . . 3.250 2.706 2.342 2.965 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLN HA 1 17 GLU HB3 . . 3.670 2.982 2.430 3.639 . 0 0 "[ . 1 . 2]" 1
112 1 14 GLN HA 1 58 LEU QD . . 8.000 4.344 3.767 4.886 . 0 0 "[ . 1 . 2]" 1
113 1 14 GLN QB 1 58 LEU QD . . 8.450 2.609 1.638 3.581 . 0 0 "[ . 1 . 2]" 1
114 1 14 GLN QE 1 15 MET QB . . 7.740 4.949 3.455 6.000 . 0 0 "[ . 1 . 2]" 1
115 1 14 GLN QG 1 58 LEU QD . . 9.480 2.815 1.693 4.178 . 0 0 "[ . 1 . 2]" 1
116 1 15 MET H 1 15 MET HB2 . . 4.000 2.329 2.029 3.621 . 0 0 "[ . 1 . 2]" 1
117 1 15 MET H 1 15 MET HB3 . . 4.000 3.109 2.636 3.613 . 0 0 "[ . 1 . 2]" 1
118 1 15 MET H 1 18 ALA H . . 4.450 4.580 4.441 4.728 0.278 15 0 "[ . 1 . 2]" 1
119 1 15 MET H 1 18 ALA MB . . 7.030 4.951 4.760 5.176 . 0 0 "[ . 1 . 2]" 1
120 1 15 MET H 1 58 LEU MD1 . . 7.030 4.388 3.329 5.198 . 0 0 "[ . 1 . 2]" 1
121 1 15 MET H 1 58 LEU QD . . 6.380 3.556 2.738 4.030 . 0 0 "[ . 1 . 2]" 1
122 1 15 MET H 1 58 LEU MD2 . . 7.030 3.794 2.913 4.539 . 0 0 "[ . 1 . 2]" 1
123 1 15 MET H 1 66 ALA MB . . 5.860 4.786 4.097 4.910 . 0 0 "[ . 1 . 2]" 1
124 1 15 MET HA 1 18 ALA H . . 4.150 3.320 3.069 3.621 . 0 0 "[ . 1 . 2]" 1
125 1 15 MET HA 1 18 ALA MB . . 4.520 3.231 2.876 3.504 . 0 0 "[ . 1 . 2]" 1
126 1 15 MET HA 1 58 LEU MD1 . . 7.030 2.904 2.190 3.420 . 0 0 "[ . 1 . 2]" 1
127 1 15 MET HA 1 58 LEU QD . . 5.750 2.671 2.135 3.099 . 0 0 "[ . 1 . 2]" 1
128 1 15 MET HA 1 58 LEU MD2 . . 7.030 3.260 2.295 3.873 . 0 0 "[ . 1 . 2]" 1
129 1 15 MET HA 1 66 ALA MB . . 7.200 4.866 4.317 5.614 . 0 0 "[ . 1 . 2]" 1
130 1 15 MET QB 1 16 GLU H . . 3.230 2.250 1.987 2.890 . 0 0 "[ . 1 . 2]" 1
131 1 15 MET QB 1 58 LEU QD . . 6.180 3.352 2.276 4.023 . 0 0 "[ . 1 . 2]" 1
132 1 15 MET QB 1 66 ALA MB . . 6.930 3.488 2.661 4.830 . 0 0 "[ . 1 . 2]" 1
133 1 15 MET HB2 1 16 GLU H . . 3.400 2.957 2.008 3.477 0.077 16 0 "[ . 1 . 2]" 1
134 1 15 MET HB3 1 16 GLU H . . 3.400 2.594 2.000 3.832 0.432 15 0 "[ . 1 . 2]" 1
135 1 15 MET ME 1 66 ALA H . . 5.050 4.228 3.973 4.410 . 0 0 "[ . 1 . 2]" 1
136 1 15 MET ME 1 66 ALA HA . . 3.730 2.463 2.047 2.680 . 0 0 "[ . 1 . 2]" 1
137 1 15 MET ME 1 67 ILE HA . . 8.080 3.308 2.571 3.681 . 0 0 "[ . 1 . 2]" 1
138 1 15 MET ME 1 67 ILE MG . . 7.210 4.851 4.427 5.144 . 0 0 "[ . 1 . 2]" 1
139 1 15 MET ME 1 69 MET HB2 . . 4.420 2.367 1.884 2.796 . 0 0 "[ . 1 . 2]" 1
140 1 15 MET ME 1 70 MET H . . 4.160 2.226 1.950 2.891 . 0 0 "[ . 1 . 2]" 1
141 1 15 MET ME 1 70 MET HA . . 4.390 2.836 2.461 3.402 . 0 0 "[ . 1 . 2]" 1
142 1 15 MET QG 1 16 GLU H . . 5.690 3.859 1.704 4.360 . 0 0 "[ . 1 . 2]" 1
143 1 15 MET QG 1 58 LEU QD . . 7.330 2.415 1.750 3.366 . 0 0 "[ . 1 . 2]" 1
144 1 15 MET QG 1 66 ALA MB . . 5.050 2.911 2.034 3.709 . 0 0 "[ . 1 . 2]" 1
145 1 15 MET HG2 1 58 LEU MD1 . . 8.410 3.327 1.866 4.760 . 0 0 "[ . 1 . 2]" 1
146 1 15 MET HG2 1 58 LEU MD2 . . 8.410 4.446 2.219 6.405 . 0 0 "[ . 1 . 2]" 1
147 1 15 MET HG2 1 66 ALA MB . . 5.380 3.799 2.507 4.321 . 0 0 "[ . 1 . 2]" 1
148 1 15 MET HG3 1 58 LEU MD1 . . 8.410 2.869 1.826 4.464 . 0 0 "[ . 1 . 2]" 1
149 1 15 MET HG3 1 58 LEU MD2 . . 8.410 3.982 2.742 5.203 . 0 0 "[ . 1 . 2]" 1
150 1 15 MET HG3 1 66 ALA MB . . 5.380 3.199 2.066 4.277 . 0 0 "[ . 1 . 2]" 1
151 1 16 GLU H 1 16 GLU HA . . 2.770 2.793 2.763 2.849 0.079 14 0 "[ . 1 . 2]" 1
152 1 16 GLU H 1 16 GLU QG . . 3.710 2.337 1.889 2.808 . 0 0 "[ . 1 . 2]" 1
153 1 16 GLU H 1 17 GLU H . . 3.330 2.779 2.616 2.878 . 0 0 "[ . 1 . 2]" 1
154 1 16 GLU H 1 18 ALA H . . 4.580 4.055 3.831 4.178 . 0 0 "[ . 1 . 2]" 1
155 1 16 GLU HA 1 16 GLU QG . . 3.470 3.237 2.613 3.296 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLU HA 1 17 GLU H . . 3.490 3.529 3.496 3.562 0.072 14 0 "[ . 1 . 2]" 1
157 1 16 GLU HA 1 19 GLU QB . . 4.140 3.314 3.209 3.443 . 0 0 "[ . 1 . 2]" 1
158 1 16 GLU QG 1 17 GLU H . . 3.880 2.109 1.908 3.536 . 0 0 "[ . 1 . 2]" 1
159 1 17 GLU H 1 17 GLU HB2 . . 3.080 2.310 2.118 2.516 . 0 0 "[ . 1 . 2]" 1
160 1 17 GLU H 1 17 GLU QB . . 2.840 2.197 2.083 2.273 . 0 0 "[ . 1 . 2]" 1
161 1 17 GLU H 1 17 GLU HB3 . . 3.080 2.804 2.516 3.089 0.009 12 0 "[ . 1 . 2]" 1
162 1 17 GLU H 1 18 ALA H . . 3.100 2.513 2.368 2.695 . 0 0 "[ . 1 . 2]" 1
163 1 17 GLU H 1 18 ALA MB . . 6.430 4.356 4.242 4.485 . 0 0 "[ . 1 . 2]" 1
164 1 17 GLU HA 1 17 GLU HG2 . . 3.670 2.688 2.077 3.446 . 0 0 "[ . 1 . 2]" 1
165 1 17 GLU HA 1 17 GLU QG . . 3.440 2.163 2.018 2.369 . 0 0 "[ . 1 . 2]" 1
166 1 17 GLU HA 1 17 GLU HG3 . . 3.670 2.552 2.033 3.539 . 0 0 "[ . 1 . 2]" 1
167 1 17 GLU HA 1 18 ALA MB . . 6.040 4.730 4.620 4.856 . 0 0 "[ . 1 . 2]" 1
168 1 17 GLU QB 1 18 ALA H . . 4.170 2.933 2.804 3.146 . 0 0 "[ . 1 . 2]" 1
169 1 17 GLU QB 1 18 ALA MB . . 7.050 3.391 3.266 3.524 . 0 0 "[ . 1 . 2]" 1
170 1 18 ALA H 1 19 GLU H . . 3.840 2.883 2.463 3.409 . 0 0 "[ . 1 . 2]" 1
171 1 18 ALA H 1 20 MET H . . 4.700 5.053 4.805 5.182 0.482 18 0 "[ . 1 . 2]" 1
172 1 18 ALA H 1 58 LEU QD . . 8.600 4.700 4.324 5.043 . 0 0 "[ . 1 . 2]" 1
173 1 18 ALA H 1 58 LEU HG . . 6.000 5.923 5.248 6.125 0.125 4 0 "[ . 1 . 2]" 1
174 1 18 ALA HA 1 19 GLU H . . 3.460 2.700 2.470 3.054 . 0 0 "[ . 1 . 2]" 1
175 1 18 ALA HA 1 20 MET H . . 5.020 5.225 4.053 5.488 0.468 11 0 "[ . 1 . 2]" 1
176 1 18 ALA MB 1 20 MET H . . 6.430 4.275 3.415 4.518 . 0 0 "[ . 1 . 2]" 1
177 1 18 ALA MB 1 54 GLN H . . 7.030 5.721 5.663 5.825 . 0 0 "[ . 1 . 2]" 1
178 1 18 ALA MB 1 54 GLN QG . . 6.980 2.733 1.685 4.069 . 0 0 "[ . 1 . 2]" 1
179 1 18 ALA MB 1 57 ASN HB2 . . 5.610 4.343 3.673 4.653 . 0 0 "[ . 1 . 2]" 1
180 1 18 ALA MB 1 57 ASN QB . . 5.090 3.632 3.172 3.921 . 0 0 "[ . 1 . 2]" 1
181 1 18 ALA MB 1 57 ASN HB3 . . 5.610 3.906 3.327 4.253 . 0 0 "[ . 1 . 2]" 1
182 1 18 ALA MB 1 57 ASN QD . . 7.900 4.439 2.173 5.188 . 0 0 "[ . 1 . 2]" 1
183 1 18 ALA MB 1 58 LEU HA . . 6.570 4.917 4.113 5.417 . 0 0 "[ . 1 . 2]" 1
184 1 18 ALA MB 1 58 LEU MD1 . . 6.210 3.915 3.452 4.160 . 0 0 "[ . 1 . 2]" 1
185 1 18 ALA MB 1 58 LEU QD . . 5.740 3.309 2.888 3.499 . 0 0 "[ . 1 . 2]" 1
186 1 18 ALA MB 1 58 LEU MD2 . . 6.210 3.603 3.043 4.004 . 0 0 "[ . 1 . 2]" 1
187 1 19 GLU H 1 19 GLU HA . . 2.700 2.692 2.478 2.856 0.156 5 0 "[ . 1 . 2]" 1
188 1 19 GLU H 1 19 GLU QB . . 3.860 2.580 2.029 2.847 . 0 0 "[ . 1 . 2]" 1
189 1 19 GLU H 1 19 GLU HG2 . . 5.010 2.825 1.916 4.636 . 0 0 "[ . 1 . 2]" 1
190 1 19 GLU H 1 19 GLU QG . . 4.460 2.523 1.797 3.987 . 0 0 "[ . 1 . 2]" 1
191 1 19 GLU H 1 19 GLU HG3 . . 5.010 2.873 2.153 4.651 . 0 0 "[ . 1 . 2]" 1
192 1 19 GLU H 1 20 MET H . . 4.430 4.142 3.662 4.318 . 0 0 "[ . 1 . 2]" 1
193 1 19 GLU HA 1 19 GLU HG2 . . 3.590 3.422 2.644 3.712 0.122 15 0 "[ . 1 . 2]" 1
194 1 19 GLU HA 1 19 GLU QG . . 3.330 2.963 2.163 3.247 . 0 0 "[ . 1 . 2]" 1
195 1 19 GLU HA 1 19 GLU HG3 . . 3.590 3.299 2.284 3.603 0.013 11 0 "[ . 1 . 2]" 1
196 1 19 GLU HA 1 22 ASN QB . . 4.700 3.810 3.154 4.259 . 0 0 "[ . 1 . 2]" 1
197 1 19 GLU HA 1 23 HIS HD2 . . 5.570 5.579 5.485 5.670 0.100 19 0 "[ . 1 . 2]" 1
198 1 19 GLU QB 1 22 ASN QD . . 7.740 3.942 2.066 6.034 . 0 0 "[ . 1 . 2]" 1
199 1 19 GLU HB2 1 20 MET H . . 5.730 4.195 3.958 4.658 . 0 0 "[ . 1 . 2]" 1
200 1 19 GLU HB3 1 20 MET H . . 5.730 4.336 4.244 4.598 . 0 0 "[ . 1 . 2]" 1
201 1 19 GLU QG 1 22 ASN QD . . 7.740 4.717 3.458 5.754 . 0 0 "[ . 1 . 2]" 1
202 1 20 MET H 1 20 MET QB . . 3.470 2.675 2.383 2.965 . 0 0 "[ . 1 . 2]" 1
203 1 20 MET H 1 21 LEU H . . 3.950 2.046 1.698 2.414 . 0 0 "[ . 1 . 2]" 1
204 1 20 MET H 1 21 LEU QD . . 8.600 3.679 1.897 5.279 . 0 0 "[ . 1 . 2]" 1
205 1 20 MET QB 1 21 LEU H . . 4.270 3.495 3.211 3.739 . 0 0 "[ . 1 . 2]" 1
206 1 20 MET QG 1 21 LEU H . . 6.880 2.136 1.824 3.066 . 0 0 "[ . 1 . 2]" 1
207 1 20 MET QG 1 55 LEU HA . . 5.060 3.413 2.065 4.372 . 0 0 "[ . 1 . 2]" 1
208 1 20 MET QG 1 58 LEU HG . . 5.750 4.666 3.845 5.157 . 0 0 "[ . 1 . 2]" 1
209 1 20 MET QG 1 71 LEU QD . . 9.470 6.364 6.200 6.617 . 0 0 "[ . 1 . 2]" 1
210 1 21 LEU H 1 21 LEU HA . . 2.900 2.909 2.863 2.944 0.044 1 0 "[ . 1 . 2]" 1
211 1 21 LEU H 1 21 LEU HB2 . . 3.950 2.340 2.033 2.729 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU H 1 21 LEU QB . . 3.340 2.304 2.017 2.655 . 0 0 "[ . 1 . 2]" 1
213 1 21 LEU H 1 21 LEU HB3 . . 3.950 3.485 2.989 3.714 . 0 0 "[ . 1 . 2]" 1
214 1 21 LEU H 1 21 LEU HG . . 4.090 3.619 2.547 4.262 0.172 1 0 "[ . 1 . 2]" 1
215 1 21 LEU H 1 22 ASN H . . 3.290 2.709 2.424 3.210 . 0 0 "[ . 1 . 2]" 1
216 1 21 LEU H 1 22 ASN QB . . 6.320 4.055 3.676 4.330 . 0 0 "[ . 1 . 2]" 1
217 1 21 LEU HA 1 21 LEU MD1 . . 4.420 2.978 2.039 3.882 . 0 0 "[ . 1 . 2]" 1
218 1 21 LEU HA 1 21 LEU QD . . 3.890 2.251 1.720 2.993 . 0 0 "[ . 1 . 2]" 1
219 1 21 LEU HA 1 21 LEU MD2 . . 4.420 2.623 1.723 3.552 . 0 0 "[ . 1 . 2]" 1
220 1 21 LEU HA 1 22 ASN H . . 3.060 3.005 2.383 3.332 0.272 9 0 "[ . 1 . 2]" 1
221 1 21 LEU HA 1 23 HIS H . . 6.000 3.805 2.994 4.372 . 0 0 "[ . 1 . 2]" 1
222 1 21 LEU QB 1 22 ASN H . . 4.430 3.655 3.408 3.918 . 0 0 "[ . 1 . 2]" 1
223 1 21 LEU QB 1 22 ASN QD . . 7.740 5.757 3.673 6.146 . 0 0 "[ . 1 . 2]" 1
224 1 21 LEU QB 1 24 CYS H . . 9.210 5.354 4.997 5.699 . 0 0 "[ . 1 . 2]" 1
225 1 21 LEU QB 1 24 CYS QB . . 6.260 4.487 3.994 5.046 . 0 0 "[ . 1 . 2]" 1
226 1 21 LEU QB 1 70 MET ME . . 5.560 1.944 1.332 3.510 . 0 0 "[ . 1 . 2]" 1
227 1 21 LEU HB2 1 24 CYS HB2 . . 6.980 6.001 5.582 6.969 . 0 0 "[ . 1 . 2]" 1
228 1 21 LEU HB2 1 24 CYS HB3 . . 6.980 6.765 6.226 7.160 0.180 19 0 "[ . 1 . 2]" 1
229 1 21 LEU HB3 1 24 CYS HB2 . . 6.980 5.144 4.466 6.354 . 0 0 "[ . 1 . 2]" 1
230 1 21 LEU HB3 1 24 CYS HB3 . . 6.980 5.614 4.808 6.804 . 0 0 "[ . 1 . 2]" 1
231 1 21 LEU QD 1 22 ASN H . . 6.300 4.115 3.450 4.601 . 0 0 "[ . 1 . 2]" 1
232 1 21 LEU QD 1 24 CYS QB . . 6.980 3.125 2.178 4.095 . 0 0 "[ . 1 . 2]" 1
233 1 21 LEU QD 1 67 ILE MD . . 8.210 2.548 1.691 4.260 . 0 0 "[ . 1 . 2]" 1
234 1 21 LEU QD 1 70 MET QG . . 8.030 2.671 1.474 3.761 . 0 0 "[ . 1 . 2]" 1
235 1 21 LEU QD 1 71 LEU QD . . 8.780 3.445 2.113 4.248 . 0 0 "[ . 1 . 2]" 1
236 1 21 LEU MD1 1 22 ASN H . . 7.030 4.809 4.085 5.438 . 0 0 "[ . 1 . 2]" 1
237 1 21 LEU MD1 1 24 CYS HB2 . . 8.580 4.602 2.387 7.030 . 0 0 "[ . 1 . 2]" 1
238 1 21 LEU MD1 1 24 CYS HB3 . . 8.580 5.017 2.637 7.082 . 0 0 "[ . 1 . 2]" 1
239 1 21 LEU MD1 1 71 LEU MD1 . . 11.200 4.443 3.392 5.730 . 0 0 "[ . 1 . 2]" 1
240 1 21 LEU MD1 1 71 LEU MD2 . . 11.200 4.382 2.157 5.524 . 0 0 "[ . 1 . 2]" 1
241 1 21 LEU MD2 1 22 ASN H . . 7.030 4.535 3.719 5.423 . 0 0 "[ . 1 . 2]" 1
242 1 21 LEU MD2 1 24 CYS HB2 . . 8.580 4.153 2.583 6.352 . 0 0 "[ . 1 . 2]" 1
243 1 21 LEU MD2 1 24 CYS HB3 . . 8.580 4.719 2.951 6.978 . 0 0 "[ . 1 . 2]" 1
244 1 21 LEU MD2 1 71 LEU MD1 . . 11.200 4.877 3.495 6.637 . 0 0 "[ . 1 . 2]" 1
245 1 21 LEU MD2 1 71 LEU MD2 . . 11.200 4.914 3.554 6.654 . 0 0 "[ . 1 . 2]" 1
246 1 21 LEU HG 1 67 ILE MD . . 5.150 3.682 2.316 4.385 . 0 0 "[ . 1 . 2]" 1
247 1 21 LEU HG 1 70 MET QG . . 5.070 3.359 1.925 4.311 . 0 0 "[ . 1 . 2]" 1
248 1 22 ASN H 1 22 ASN HB2 . . 3.290 2.725 2.020 3.387 0.097 14 0 "[ . 1 . 2]" 1
249 1 22 ASN H 1 22 ASN QB . . 2.940 2.219 1.999 2.578 . 0 0 "[ . 1 . 2]" 1
250 1 22 ASN H 1 22 ASN HB3 . . 3.290 2.681 2.017 3.436 0.146 2 0 "[ . 1 . 2]" 1
251 1 22 ASN H 1 23 HIS H . . 4.150 2.213 1.837 2.783 . 0 0 "[ . 1 . 2]" 1
252 1 22 ASN H 1 23 HIS HD2 . . 5.270 3.050 2.499 3.888 . 0 0 "[ . 1 . 2]" 1
253 1 22 ASN H 1 76 TRP HZ2 . . 5.700 5.448 4.722 5.765 0.065 18 0 "[ . 1 . 2]" 1
254 1 22 ASN HA 1 76 TRP HE1 . . 6.000 3.275 2.643 4.843 . 0 0 "[ . 1 . 2]" 1
255 1 22 ASN HA 1 76 TRP HZ2 . . 5.040 2.939 2.729 3.348 . 0 0 "[ . 1 . 2]" 1
256 1 22 ASN QB 1 76 TRP HE1 . . 6.880 4.379 3.854 5.193 . 0 0 "[ . 1 . 2]" 1
257 1 22 ASN QB 1 76 TRP HZ2 . . 5.260 4.717 4.525 4.878 . 0 0 "[ . 1 . 2]" 1
258 1 22 ASN QD 1 23 HIS HD2 . . 6.870 4.886 1.894 5.494 . 0 0 "[ . 1 . 2]" 1
259 1 23 HIS H 1 23 HIS QB . . 3.780 2.426 2.120 2.736 . 0 0 "[ . 1 . 2]" 1
260 1 23 HIS H 1 23 HIS HD2 . . 5.180 2.150 1.923 2.904 . 0 0 "[ . 1 . 2]" 1
261 1 23 HIS H 1 24 CYS H . . 3.560 2.599 2.292 2.987 . 0 0 "[ . 1 . 2]" 1
262 1 23 HIS H 1 47 HIS HD2 . . 6.000 5.655 4.553 6.219 0.219 2 0 "[ . 1 . 2]" 1
263 1 23 HIS HA 1 23 HIS HD2 . . 3.790 3.826 3.792 3.901 0.111 14 0 "[ . 1 . 2]" 1
264 1 23 HIS QB 1 24 CYS H . . 4.650 2.242 2.035 2.401 . 0 0 "[ . 1 . 2]" 1
265 1 23 HIS QB 1 25 GLY H . . 4.630 4.221 4.082 4.339 . 0 0 "[ . 1 . 2]" 1
266 1 23 HIS QB 1 47 HIS HD2 . . 6.880 3.257 1.990 4.705 . 0 0 "[ . 1 . 2]" 1
267 1 23 HIS QB 1 50 LEU HB2 . . 5.660 2.764 1.989 3.226 . 0 0 "[ . 1 . 2]" 1
268 1 23 HIS QB 1 51 CYS H . . 6.320 3.409 2.399 4.380 . 0 0 "[ . 1 . 2]" 1
269 1 23 HIS QB 1 51 CYS HA . . 6.880 3.623 2.900 4.264 . 0 0 "[ . 1 . 2]" 1
270 1 23 HIS HB2 1 24 CYS H . . 5.060 2.281 2.053 2.489 . 0 0 "[ . 1 . 2]" 1
271 1 23 HIS HB2 1 50 LEU HB2 . . 6.000 3.318 2.792 4.137 . 0 0 "[ . 1 . 2]" 1
272 1 23 HIS HB3 1 24 CYS H . . 5.060 3.353 3.035 3.635 . 0 0 "[ . 1 . 2]" 1
273 1 23 HIS HB3 1 50 LEU HB2 . . 6.000 3.014 2.036 3.583 . 0 0 "[ . 1 . 2]" 1
274 1 23 HIS HD2 1 24 CYS QB . . 7.870 5.845 5.161 6.452 . 0 0 "[ . 1 . 2]" 1
275 1 23 HIS HD2 1 50 LEU HB2 . . 5.340 5.306 4.858 5.383 0.043 20 0 "[ . 1 . 2]" 1
276 1 23 HIS HD2 1 50 LEU HB3 . . 6.000 4.419 3.989 5.715 . 0 0 "[ . 1 . 2]" 1
277 1 23 HIS HD2 1 50 LEU MD1 . . 7.030 5.286 4.856 5.660 . 0 0 "[ . 1 . 2]" 1
278 1 23 HIS HD2 1 50 LEU MD2 . . 7.030 5.163 4.692 5.666 . 0 0 "[ . 1 . 2]" 1
279 1 23 HIS HE1 1 50 LEU MD1 . . 7.030 3.600 2.365 5.329 . 0 0 "[ . 1 . 2]" 1
280 1 23 HIS HE1 1 50 LEU QD . . 6.130 3.000 2.197 3.986 . 0 0 "[ . 1 . 2]" 1
281 1 23 HIS HE1 1 50 LEU MD2 . . 7.030 3.462 2.231 4.315 . 0 0 "[ . 1 . 2]" 1
282 1 24 CYS CB 1 51 CYS SG . . 3.100 3.024 2.897 3.145 0.045 1 0 "[ . 1 . 2]" 1
283 1 24 CYS H 1 24 CYS HB2 . . 3.390 2.225 2.075 3.596 0.206 19 0 "[ . 1 . 2]" 1
284 1 24 CYS H 1 24 CYS HB3 . . 3.390 3.418 2.775 3.532 0.142 2 0 "[ . 1 . 2]" 1
285 1 24 CYS H 1 25 GLY H . . 3.530 2.708 2.401 2.872 . 0 0 "[ . 1 . 2]" 1
286 1 24 CYS HA 1 27 TYR H . . 3.990 3.639 3.193 3.903 . 0 0 "[ . 1 . 2]" 1
287 1 24 CYS HA 1 27 TYR HB2 . . 3.720 3.438 2.278 3.744 0.024 1 0 "[ . 1 . 2]" 1
288 1 24 CYS HA 1 27 TYR HB3 . . 3.200 3.166 2.832 3.253 0.053 9 0 "[ . 1 . 2]" 1
289 1 24 CYS HA 1 27 TYR QD . . 8.140 4.440 3.974 4.804 . 0 0 "[ . 1 . 2]" 1
290 1 24 CYS HA 1 28 LEU H . . 4.940 4.848 4.270 4.944 0.004 8 0 "[ . 1 . 2]" 1
291 1 24 CYS HA 1 51 CYS QB . . 4.450 3.615 3.252 3.819 . 0 0 "[ . 1 . 2]" 1
292 1 24 CYS HA 1 90 LEU MD1 . . 6.800 3.986 3.009 4.865 . 0 0 "[ . 1 . 2]" 1
293 1 24 CYS QB 1 25 GLY H . . 3.980 3.074 2.834 3.442 . 0 0 "[ . 1 . 2]" 1
294 1 24 CYS QB 1 28 LEU QD . . 9.480 3.066 2.604 3.387 . 0 0 "[ . 1 . 2]" 1
295 1 24 CYS QB 1 28 LEU HG . . 6.880 4.441 3.374 5.295 . 0 0 "[ . 1 . 2]" 1
296 1 24 CYS QB 1 70 MET ME . . 5.990 4.277 3.666 4.519 . 0 0 "[ . 1 . 2]" 1
297 1 24 CYS QB 1 90 LEU MD1 . . 5.200 2.473 1.977 2.949 . 0 0 "[ . 1 . 2]" 1
298 1 24 CYS QB 1 90 LEU MD2 . . 6.980 3.761 3.198 4.250 . 0 0 "[ . 1 . 2]" 1
299 1 24 CYS HB2 1 90 LEU MD1 . . 5.940 3.876 2.399 4.374 . 0 0 "[ . 1 . 2]" 1
300 1 24 CYS HB3 1 90 LEU MD1 . . 5.940 2.534 1.987 2.998 . 0 0 "[ . 1 . 2]" 1
301 1 24 CYS SG 1 51 CYS CB . . 3.100 3.046 2.931 3.151 0.051 1 0 "[ . 1 . 2]" 1
302 1 24 CYS SG 1 51 CYS SG . . 2.100 2.012 1.959 2.043 . 0 0 "[ . 1 . 2]" 1
303 1 25 GLY H 1 26 MET H . . 3.490 2.715 2.350 3.281 . 0 0 "[ . 1 . 2]" 1
304 1 26 MET H 1 26 MET QB . . 3.780 2.094 1.953 2.323 . 0 0 "[ . 1 . 2]" 1
305 1 26 MET H 1 26 MET QG . . 4.370 3.261 2.274 3.899 . 0 0 "[ . 1 . 2]" 1
306 1 26 MET H 1 27 TYR H . . 3.790 2.860 2.664 3.137 . 0 0 "[ . 1 . 2]" 1
307 1 26 MET H 1 47 HIS QB . . 6.880 5.120 4.319 5.832 . 0 0 "[ . 1 . 2]" 1
308 1 26 MET HA 1 76 TRP HZ3 . . 5.410 5.480 5.363 5.548 0.138 19 0 "[ . 1 . 2]" 1
309 1 27 TYR H 1 27 TYR HB2 . . 3.360 2.346 1.996 2.477 . 0 0 "[ . 1 . 2]" 1
310 1 27 TYR H 1 27 TYR HB3 . . 3.000 2.461 2.303 2.842 . 0 0 "[ . 1 . 2]" 1
311 1 27 TYR H 1 28 LEU H . . 3.620 2.793 2.703 2.946 . 0 0 "[ . 1 . 2]" 1
312 1 27 TYR HA 1 27 TYR HB2 . . 3.030 2.445 2.383 2.635 . 0 0 "[ . 1 . 2]" 1
313 1 27 TYR HA 1 47 HIS HD2 . . 6.000 5.233 3.723 6.044 0.044 16 0 "[ . 1 . 2]" 1
314 1 27 TYR HB2 1 28 LEU H . . 4.250 3.854 3.445 3.977 . 0 0 "[ . 1 . 2]" 1
315 1 27 TYR HB3 1 28 LEU H . . 3.460 2.605 2.462 2.774 . 0 0 "[ . 1 . 2]" 1
316 1 27 TYR QD 1 47 HIS QB . . 9.020 3.779 2.764 6.033 . 0 0 "[ . 1 . 2]" 1
317 1 27 TYR QD 1 48 LYS H . . 8.140 6.154 5.278 6.622 . 0 0 "[ . 1 . 2]" 1
318 1 27 TYR QD 1 48 LYS HA . . 8.070 5.378 4.503 6.234 . 0 0 "[ . 1 . 2]" 1
319 1 27 TYR QD 1 48 LYS QD . . 9.020 5.148 2.657 6.569 . 0 0 "[ . 1 . 2]" 1
320 1 27 TYR QD 1 48 LYS QG . . 9.020 4.834 3.289 7.155 . 0 0 "[ . 1 . 2]" 1
321 1 27 TYR QD 1 90 LEU MD1 . . 8.280 3.391 2.490 4.113 . 0 0 "[ . 1 . 2]" 1
322 1 27 TYR QD 1 90 LEU MD2 . . 6.960 4.259 3.332 5.008 . 0 0 "[ . 1 . 2]" 1
323 1 27 TYR HD1 1 28 LEU H . . 7.740 4.753 2.987 5.551 . 0 0 "[ . 1 . 2]" 1
324 1 27 TYR HD1 1 28 LEU HA . . 8.140 5.096 2.605 6.814 . 0 0 "[ . 1 . 2]" 1
325 1 27 TYR HD1 1 28 LEU HB3 . . 8.140 6.806 4.192 8.420 0.280 19 0 "[ . 1 . 2]" 1
326 1 27 TYR HD1 1 28 LEU MD1 . . 9.170 6.089 3.542 7.195 . 0 0 "[ . 1 . 2]" 1
327 1 27 TYR HD1 1 28 LEU QD . . 8.480 4.447 1.892 5.715 . 0 0 "[ . 1 . 2]" 1
328 1 27 TYR HD1 1 28 LEU MD2 . . 9.170 4.634 1.893 5.998 . 0 0 "[ . 1 . 2]" 1
329 1 27 TYR HD1 1 29 MET H . . 8.140 6.260 4.931 7.105 . 0 0 "[ . 1 . 2]" 1
330 1 27 TYR QE 1 28 LEU QD . . 10.170 3.362 2.764 4.064 . 0 0 "[ . 1 . 2]" 1
331 1 27 TYR QE 1 48 LYS H . . 8.130 7.163 5.968 7.528 . 0 0 "[ . 1 . 2]" 1
332 1 27 TYR QE 1 48 LYS HA . . 7.840 6.046 5.048 6.889 . 0 0 "[ . 1 . 2]" 1
333 1 27 TYR QE 1 48 LYS QB . . 9.010 5.790 4.443 7.180 . 0 0 "[ . 1 . 2]" 1
334 1 27 TYR QE 1 48 LYS QD . . 8.050 4.671 3.005 6.250 . 0 0 "[ . 1 . 2]" 1
335 1 27 TYR QE 1 48 LYS QG . . 9.010 4.871 3.384 7.031 . 0 0 "[ . 1 . 2]" 1
336 1 27 TYR HE1 1 28 LEU HG . . 7.930 6.586 3.854 7.871 . 0 0 "[ . 1 . 2]" 1
337 1 27 TYR HE1 1 90 LEU MD1 . . 7.410 6.499 4.782 7.774 0.364 15 0 "[ . 1 . 2]" 1
338 1 27 TYR HE1 1 90 LEU MD2 . . 6.920 6.525 5.025 7.533 0.613 4 4 "[ +- * * 2]" 1
339 1 28 LEU H 1 28 LEU HB2 . . 2.770 2.731 2.400 2.834 0.064 10 0 "[ . 1 . 2]" 1
340 1 28 LEU H 1 28 LEU HB3 . . 3.860 3.627 3.580 3.670 . 0 0 "[ . 1 . 2]" 1
341 1 28 LEU H 1 28 LEU HG . . 2.770 2.037 1.889 2.723 . 0 0 "[ . 1 . 2]" 1
342 1 28 LEU H 1 29 MET H . . 4.450 2.243 2.115 2.458 . 0 0 "[ . 1 . 2]" 1
343 1 28 LEU HA 1 28 LEU HG . . 3.160 3.056 2.455 3.179 0.019 11 0 "[ . 1 . 2]" 1
344 1 28 LEU HA 1 31 ASN H . . 4.250 4.181 3.940 4.255 0.005 13 0 "[ . 1 . 2]" 1
345 1 28 LEU HA 1 86 MET QG . . 6.880 4.309 3.699 5.246 . 0 0 "[ . 1 . 2]" 1
346 1 28 LEU HB2 1 29 MET H . . 3.200 2.963 2.736 3.143 . 0 0 "[ . 1 . 2]" 1
347 1 28 LEU HB2 1 87 ALA MB . . 6.200 4.959 4.692 5.135 . 0 0 "[ . 1 . 2]" 1
348 1 28 LEU HB2 1 90 LEU MD1 . . 5.940 4.831 4.230 5.033 . 0 0 "[ . 1 . 2]" 1
349 1 28 LEU HB3 1 29 MET H . . 4.280 4.115 3.783 4.244 . 0 0 "[ . 1 . 2]" 1
350 1 28 LEU HB3 1 76 TRP HZ3 . . 6.000 5.656 5.161 6.054 0.054 7 0 "[ . 1 . 2]" 1
351 1 28 LEU HB3 1 83 VAL HB . . 4.850 3.190 2.332 3.796 . 0 0 "[ . 1 . 2]" 1
352 1 28 LEU QD 1 29 MET H . . 8.600 3.894 3.743 4.036 . 0 0 "[ . 1 . 2]" 1
353 1 28 LEU QD 1 70 MET ME . . 6.850 3.813 3.468 3.992 . 0 0 "[ . 1 . 2]" 1
354 1 28 LEU QD 1 71 LEU QD . . 11.200 3.739 3.412 4.227 . 0 0 "[ . 1 . 2]" 1
355 1 28 LEU QD 1 76 TRP HZ2 . . 8.600 4.944 4.510 5.724 . 0 0 "[ . 1 . 2]" 1
356 1 28 LEU QD 1 83 VAL HA . . 8.600 2.353 1.764 3.164 . 0 0 "[ . 1 . 2]" 1
357 1 28 LEU QD 1 83 VAL HB . . 7.010 2.176 1.792 2.683 . 0 0 "[ . 1 . 2]" 1
358 1 28 LEU QD 1 84 MET H . . 8.600 4.753 4.362 5.231 . 0 0 "[ . 1 . 2]" 1
359 1 28 LEU QD 1 86 MET HB2 . . 5.730 2.113 1.508 2.372 . 0 0 "[ . 1 . 2]" 1
360 1 28 LEU QD 1 86 MET QG . . 6.420 2.262 2.001 2.502 . 0 0 "[ . 1 . 2]" 1
361 1 28 LEU QD 1 87 ALA H . . 7.800 3.033 2.660 3.488 . 0 0 "[ . 1 . 2]" 1
362 1 28 LEU QD 1 87 ALA HA . . 4.720 3.339 3.055 3.470 . 0 0 "[ . 1 . 2]" 1
363 1 28 LEU QD 1 87 ALA MB . . 5.800 2.502 2.228 2.976 . 0 0 "[ . 1 . 2]" 1
364 1 28 LEU QD 1 89 ASN H . . 8.600 5.342 5.023 5.568 . 0 0 "[ . 1 . 2]" 1
365 1 28 LEU QD 1 90 LEU H . . 7.240 4.798 4.466 4.935 . 0 0 "[ . 1 . 2]" 1
366 1 28 LEU QD 1 90 LEU HB2 . . 6.850 3.861 3.450 3.996 . 0 0 "[ . 1 . 2]" 1
367 1 28 LEU QD 1 90 LEU MD1 . . 5.240 1.659 1.321 1.816 . 0 0 "[ . 1 . 2]" 1
368 1 28 LEU QD 1 90 LEU MD2 . . 8.140 3.402 2.816 3.631 . 0 0 "[ . 1 . 2]" 1
369 1 28 LEU MD1 1 86 MET HG2 . . 8.750 4.631 4.127 5.436 . 0 0 "[ . 1 . 2]" 1
370 1 28 LEU MD1 1 86 MET HG3 . . 8.750 3.930 3.602 4.526 . 0 0 "[ . 1 . 2]" 1
371 1 28 LEU MD1 1 87 ALA H . . 9.000 3.167 2.691 4.034 . 0 0 "[ . 1 . 2]" 1
372 1 28 LEU MD1 1 87 ALA HA . . 5.400 3.452 3.116 3.625 . 0 0 "[ . 1 . 2]" 1
373 1 28 LEU MD1 1 87 ALA MB . . 6.340 2.528 2.237 3.067 . 0 0 "[ . 1 . 2]" 1
374 1 28 LEU MD1 1 90 LEU MD1 . . 5.610 2.093 1.494 2.330 . 0 0 "[ . 1 . 2]" 1
375 1 28 LEU MD2 1 86 MET HG2 . . 8.750 3.521 3.241 3.725 . 0 0 "[ . 1 . 2]" 1
376 1 28 LEU MD2 1 86 MET HG3 . . 8.750 2.318 2.024 2.606 . 0 0 "[ . 1 . 2]" 1
377 1 28 LEU MD2 1 87 ALA H . . 9.000 4.114 3.659 4.380 . 0 0 "[ . 1 . 2]" 1
378 1 28 LEU MD2 1 87 ALA HA . . 5.400 4.457 4.281 4.590 . 0 0 "[ . 1 . 2]" 1
379 1 28 LEU MD2 1 87 ALA MB . . 6.340 4.143 4.020 4.233 . 0 0 "[ . 1 . 2]" 1
380 1 28 LEU MD2 1 90 LEU MD1 . . 5.610 1.802 1.472 2.160 . 0 0 "[ . 1 . 2]" 1
381 1 28 LEU HG 1 86 MET HB3 . . 4.120 4.227 4.120 4.503 0.383 13 0 "[ . 1 . 2]" 1
382 1 29 MET H 1 29 MET HB2 . . 3.030 2.183 2.026 2.300 . 0 0 "[ . 1 . 2]" 1
383 1 29 MET H 1 29 MET QB . . 2.830 2.136 1.999 2.207 . 0 0 "[ . 1 . 2]" 1
384 1 29 MET H 1 29 MET HB3 . . 3.030 3.056 2.833 3.157 0.127 4 0 "[ . 1 . 2]" 1
385 1 29 MET H 1 31 ASN H . . 4.360 4.496 4.379 4.609 0.249 15 0 "[ . 1 . 2]" 1
386 1 29 MET HA 1 29 MET HB2 . . 2.900 2.750 2.592 2.788 . 0 0 "[ . 1 . 2]" 1
387 1 29 MET HA 1 29 MET QB . . 2.660 2.503 2.437 2.519 . 0 0 "[ . 1 . 2]" 1
388 1 29 MET HA 1 29 MET HB3 . . 2.900 2.882 2.846 2.962 0.062 15 0 "[ . 1 . 2]" 1
389 1 29 MET HA 1 30 LYS H . . 3.490 3.202 3.127 3.322 . 0 0 "[ . 1 . 2]" 1
390 1 29 MET HA 1 76 TRP HH2 . . 4.900 4.592 4.171 4.910 0.010 19 0 "[ . 1 . 2]" 1
391 1 29 MET HA 1 83 VAL MG2 . . 7.030 5.611 5.241 5.901 . 0 0 "[ . 1 . 2]" 1
392 1 29 MET QB 1 30 LYS H . . 4.170 3.542 3.391 3.634 . 0 0 "[ . 1 . 2]" 1
393 1 29 MET QB 1 76 TRP HZ3 . . 4.660 3.003 2.532 3.845 . 0 0 "[ . 1 . 2]" 1
394 1 29 MET QG 1 76 TRP HZ3 . . 5.120 2.246 1.894 3.799 . 0 0 "[ . 1 . 2]" 1
395 1 30 LYS H 1 30 LYS QB . . 3.530 2.160 2.069 2.312 . 0 0 "[ . 1 . 2]" 1
396 1 30 LYS H 1 30 LYS QD . . 5.850 4.383 3.837 4.680 . 0 0 "[ . 1 . 2]" 1
397 1 30 LYS H 1 31 ASN H . . 4.300 2.296 2.134 2.547 . 0 0 "[ . 1 . 2]" 1
398 1 30 LYS H 1 32 LEU H . . 3.390 3.453 3.306 3.666 0.276 15 0 "[ . 1 . 2]" 1
399 1 30 LYS H 1 32 LEU MD1 . . 7.030 4.315 4.092 4.598 . 0 0 "[ . 1 . 2]" 1
400 1 30 LYS H 1 32 LEU QD . . 6.770 4.215 4.031 4.438 . 0 0 "[ . 1 . 2]" 1
401 1 30 LYS H 1 32 LEU MD2 . . 7.030 5.925 5.836 6.110 . 0 0 "[ . 1 . 2]" 1
402 1 30 LYS H 1 32 LEU HG . . 5.310 4.653 4.535 4.881 . 0 0 "[ . 1 . 2]" 1
403 1 30 LYS QB 1 31 ASN H . . 4.410 3.013 2.798 3.157 . 0 0 "[ . 1 . 2]" 1
404 1 30 LYS QG 1 31 ASN H . . 6.120 4.483 4.268 4.676 . 0 0 "[ . 1 . 2]" 1
405 1 31 ASN H 1 31 ASN HB2 . . 3.910 2.680 2.140 3.864 . 0 0 "[ . 1 . 2]" 1
406 1 31 ASN H 1 31 ASN QB . . 3.480 2.412 2.119 2.971 . 0 0 "[ . 1 . 2]" 1
407 1 31 ASN H 1 31 ASN HB3 . . 3.910 3.138 2.453 3.799 . 0 0 "[ . 1 . 2]" 1
408 1 31 ASN H 1 32 LEU H . . 3.950 2.076 1.853 2.422 . 0 0 "[ . 1 . 2]" 1
409 1 31 ASN HA 1 33 GLY H . . 4.090 3.742 3.540 4.029 . 0 0 "[ . 1 . 2]" 1
410 1 31 ASN QB 1 32 LEU QD . . 7.640 3.886 3.506 4.464 . 0 0 "[ . 1 . 2]" 1
411 1 31 ASN QB 1 32 LEU HG . . 6.390 3.691 3.105 4.492 . 0 0 "[ . 1 . 2]" 1
412 1 32 LEU H 1 32 LEU QB . . 3.650 2.356 2.213 2.527 . 0 0 "[ . 1 . 2]" 1
413 1 32 LEU H 1 32 LEU MD1 . . 4.850 3.548 3.392 3.783 . 0 0 "[ . 1 . 2]" 1
414 1 32 LEU H 1 32 LEU QD . . 4.430 3.248 3.143 3.438 . 0 0 "[ . 1 . 2]" 1
415 1 32 LEU H 1 32 LEU MD2 . . 4.850 3.776 3.617 4.036 . 0 0 "[ . 1 . 2]" 1
416 1 32 LEU H 1 32 LEU HG . . 2.930 2.609 2.381 2.925 . 0 0 "[ . 1 . 2]" 1
417 1 32 LEU HA 1 32 LEU MD1 . . 4.450 3.846 3.778 3.922 . 0 0 "[ . 1 . 2]" 1
418 1 32 LEU HA 1 32 LEU MD2 . . 4.450 2.032 1.874 2.294 . 0 0 "[ . 1 . 2]" 1
419 1 32 LEU HA 1 32 LEU HG . . 2.830 2.835 2.689 2.932 0.102 8 0 "[ . 1 . 2]" 1
420 1 32 LEU HA 1 33 GLY H . . 3.430 3.302 2.411 3.469 0.039 7 0 "[ . 1 . 2]" 1
421 1 32 LEU QB 1 33 GLY QA . . 7.760 3.981 3.811 4.182 . 0 0 "[ . 1 . 2]" 1
422 1 32 LEU QB 1 76 TRP HH2 . . 6.880 5.731 4.989 6.132 . 0 0 "[ . 1 . 2]" 1
423 1 32 LEU QB 1 79 MET ME . . 6.320 4.534 4.243 4.680 . 0 0 "[ . 1 . 2]" 1
424 1 32 LEU QD 1 76 TRP HE3 . . 8.430 4.549 3.763 5.537 . 0 0 "[ . 1 . 2]" 1
425 1 32 LEU QD 1 76 TRP HH2 . . 8.600 4.456 3.922 4.867 . 0 0 "[ . 1 . 2]" 1
426 1 32 LEU QD 1 76 TRP HZ3 . . 6.790 3.272 2.672 4.137 . 0 0 "[ . 1 . 2]" 1
427 1 32 LEU QD 1 82 GLN QB . . 5.130 1.489 1.323 1.724 . 0 0 "[ . 1 . 2]" 1
428 1 32 LEU QD 1 83 VAL HA . . 6.620 3.461 2.061 4.004 . 0 0 "[ . 1 . 2]" 1
429 1 32 LEU QD 1 86 MET QG . . 7.700 4.234 2.406 5.083 . 0 0 "[ . 1 . 2]" 1
430 1 32 LEU MD1 1 76 TRP HZ3 . . 7.030 3.301 2.681 4.215 . 0 0 "[ . 1 . 2]" 1
431 1 32 LEU MD1 1 82 GLN QB . . 5.560 2.197 1.698 3.053 . 0 0 "[ . 1 . 2]" 1
432 1 32 LEU MD1 1 83 VAL HA . . 7.030 3.534 2.073 4.088 . 0 0 "[ . 1 . 2]" 1
433 1 32 LEU MD2 1 76 TRP HZ3 . . 7.030 5.592 5.088 6.060 . 0 0 "[ . 1 . 2]" 1
434 1 32 LEU MD2 1 82 GLN QB . . 5.560 1.541 1.325 1.832 . 0 0 "[ . 1 . 2]" 1
435 1 32 LEU MD2 1 83 VAL HA . . 7.030 5.047 3.443 5.745 . 0 0 "[ . 1 . 2]" 1
436 1 32 LEU HG 1 33 GLY H . . 4.640 4.595 4.482 4.924 0.284 17 0 "[ . 1 . 2]" 1
437 1 33 GLY H 1 34 GLU H . . 4.880 3.766 2.562 4.479 . 0 0 "[ . 1 . 2]" 1
438 1 33 GLY QA 1 34 GLU QB . . 5.450 3.902 3.639 4.277 . 0 0 "[ . 1 . 2]" 1
439 1 34 GLU H 1 34 GLU HB2 . . 3.130 2.780 2.088 3.136 0.006 1 0 "[ . 1 . 2]" 1
440 1 34 GLU H 1 34 GLU HB3 . . 3.130 2.940 2.486 3.185 0.055 19 0 "[ . 1 . 2]" 1
441 1 34 GLU H 1 34 GLU QG . . 4.900 4.083 3.583 4.302 . 0 0 "[ . 1 . 2]" 1
442 1 34 GLU H 1 35 ARG H . . 4.190 3.717 2.313 4.252 0.062 11 0 "[ . 1 . 2]" 1
443 1 34 GLU HA 1 35 ARG H . . 3.100 2.470 2.128 3.020 . 0 0 "[ . 1 . 2]" 1
444 1 35 ARG H 1 35 ARG QB . . 3.420 2.539 2.035 3.044 . 0 0 "[ . 1 . 2]" 1
445 1 35 ARG H 1 36 SER H . . 4.710 3.582 2.027 4.693 . 0 0 "[ . 1 . 2]" 1
446 1 36 SER H 1 36 SER QB . . 3.840 2.666 2.068 3.450 . 0 0 "[ . 1 . 2]" 1
447 1 37 GLN H 1 38 VAL QG . . 8.120 4.301 2.738 5.755 . 0 0 "[ . 1 . 2]" 1
448 1 37 GLN HA 1 38 VAL H . . 3.330 2.334 2.099 2.860 . 0 0 "[ . 1 . 2]" 1
449 1 37 GLN HA 1 38 VAL QG . . 8.120 3.883 3.368 4.574 . 0 0 "[ . 1 . 2]" 1
450 1 38 VAL H 1 39 SER H . . 4.810 4.339 2.585 4.643 . 0 0 "[ . 1 . 2]" 1
451 1 38 VAL HA 1 38 VAL HB . . 2.770 2.478 2.393 2.588 . 0 0 "[ . 1 . 2]" 1
452 1 38 VAL HA 1 39 SER H . . 3.160 2.354 2.105 2.747 . 0 0 "[ . 1 . 2]" 1
453 1 38 VAL HB 1 39 SER QB . . 6.880 5.365 3.559 6.061 . 0 0 "[ . 1 . 2]" 1
454 1 38 VAL QG 1 39 SER H . . 7.960 2.538 1.446 3.579 . 0 0 "[ . 1 . 2]" 1
455 1 39 SER H 1 39 SER HB2 . . 3.590 2.864 2.120 3.623 0.033 15 0 "[ . 1 . 2]" 1
456 1 39 SER H 1 39 SER QB . . 3.320 2.501 2.062 3.028 . 0 0 "[ . 1 . 2]" 1
457 1 39 SER H 1 39 SER HB3 . . 3.590 3.099 2.085 3.567 . 0 0 "[ . 1 . 2]" 1
458 1 39 SER QB 1 40 PRO QD . . 6.560 3.185 1.926 3.862 . 0 0 "[ . 1 . 2]" 1
459 1 40 PRO HA 1 41 ARG H . . 2.700 2.481 2.228 2.765 0.065 5 0 "[ . 1 . 2]" 1
460 1 40 PRO QD 1 41 ARG H . . 5.060 4.462 3.833 4.669 . 0 0 "[ . 1 . 2]" 1
461 1 41 ARG H 1 41 ARG HA . . 2.700 2.820 2.717 2.933 0.233 3 0 "[ . 1 . 2]" 1
462 1 41 ARG H 1 41 ARG HB2 . . 3.330 2.644 2.073 3.526 0.196 3 0 "[ . 1 . 2]" 1
463 1 41 ARG H 1 41 ARG QB . . 3.060 2.457 2.052 3.030 . 0 0 "[ . 1 . 2]" 1
464 1 41 ARG H 1 41 ARG HB3 . . 3.330 3.171 2.691 3.397 0.067 1 0 "[ . 1 . 2]" 1
465 1 41 ARG H 1 42 MET H . . 3.360 3.103 2.347 3.516 0.156 9 0 "[ . 1 . 2]" 1
466 1 41 ARG HA 1 42 MET QG . . 4.080 3.660 3.326 3.845 . 0 0 "[ . 1 . 2]" 1
467 1 41 ARG HB2 1 42 MET H . . 5.870 3.689 2.606 4.690 . 0 0 "[ . 1 . 2]" 1
468 1 41 ARG HB3 1 42 MET H . . 5.870 3.040 1.987 4.669 . 0 0 "[ . 1 . 2]" 1
469 1 42 MET H 1 42 MET QB . . 3.490 2.809 2.444 3.033 . 0 0 "[ . 1 . 2]" 1
470 1 42 MET H 1 42 MET HG2 . . 4.850 3.355 2.135 4.007 . 0 0 "[ . 1 . 2]" 1
471 1 42 MET H 1 42 MET QG . . 4.650 2.728 2.054 3.173 . 0 0 "[ . 1 . 2]" 1
472 1 42 MET H 1 42 MET HG3 . . 4.850 2.943 2.419 3.326 . 0 0 "[ . 1 . 2]" 1
473 1 43 ARG HB2 1 43 ARG HE . . 3.490 3.147 2.047 3.520 0.030 19 0 "[ . 1 . 2]" 1
474 1 43 ARG HE 1 43 ARG QG . . 3.870 2.594 2.102 3.230 . 0 0 "[ . 1 . 2]" 1
475 1 45 GLU H 1 45 GLU QB . . 3.690 2.490 2.014 3.169 . 0 0 "[ . 1 . 2]" 1
476 1 45 GLU H 1 45 GLU QG . . 5.130 3.449 2.085 4.191 . 0 0 "[ . 1 . 2]" 1
477 1 45 GLU QG 1 46 ASP H . . 5.890 3.324 2.252 4.363 . 0 0 "[ . 1 . 2]" 1
478 1 46 ASP H 1 46 ASP HB2 . . 3.490 3.018 2.124 3.596 0.106 14 0 "[ . 1 . 2]" 1
479 1 46 ASP H 1 46 ASP HB3 . . 3.490 2.999 2.238 3.535 0.045 10 0 "[ . 1 . 2]" 1
480 1 46 ASP HA 1 46 ASP QB . . 2.750 2.389 2.135 2.530 . 0 0 "[ . 1 . 2]" 1
481 1 46 ASP HA 1 47 HIS H . . 3.260 2.338 2.168 3.075 . 0 0 "[ . 1 . 2]" 1
482 1 47 HIS H 1 47 HIS QB . . 3.920 2.650 2.218 3.021 . 0 0 "[ . 1 . 2]" 1
483 1 47 HIS HA 1 50 LEU QD . . 8.600 2.496 1.597 3.419 . 0 0 "[ . 1 . 2]" 1
484 1 47 HIS HD2 1 50 LEU QD . . 8.600 4.598 2.153 6.021 . 0 0 "[ . 1 . 2]" 1
485 1 48 LYS H 1 48 LYS QB . . 3.720 2.965 2.403 3.137 . 0 0 "[ . 1 . 2]" 1
486 1 48 LYS H 1 49 GLN H . . 4.450 2.391 1.882 3.098 . 0 0 "[ . 1 . 2]" 1
487 1 48 LYS HA 1 48 LYS QD . . 4.470 3.408 2.477 3.974 . 0 0 "[ . 1 . 2]" 1
488 1 48 LYS QB 1 49 GLN H . . 5.400 2.452 1.887 3.278 . 0 0 "[ . 1 . 2]" 1
489 1 49 GLN H 1 49 GLN QB . . 3.660 2.369 2.070 2.797 . 0 0 "[ . 1 . 2]" 1
490 1 49 GLN H 1 50 LEU H . . 3.490 2.275 1.869 3.009 . 0 0 "[ . 1 . 2]" 1
491 1 49 GLN HA 1 49 GLN QG . . 3.830 2.168 1.957 3.326 . 0 0 "[ . 1 . 2]" 1
492 1 49 GLN HA 1 52 CYS H . . 4.090 3.069 2.704 3.630 . 0 0 "[ . 1 . 2]" 1
493 1 49 GLN HA 1 52 CYS HB2 . . 3.620 3.017 2.017 3.677 0.057 20 0 "[ . 1 . 2]" 1
494 1 49 GLN HA 1 52 CYS QB . . 3.220 2.646 2.006 2.977 . 0 0 "[ . 1 . 2]" 1
495 1 49 GLN HA 1 52 CYS HB3 . . 3.620 3.213 2.560 3.798 0.178 15 0 "[ . 1 . 2]" 1
496 1 50 LEU H 1 50 LEU HB2 . . 3.760 2.230 2.081 2.884 . 0 0 "[ . 1 . 2]" 1
497 1 50 LEU H 1 50 LEU HB3 . . 3.330 3.461 3.414 3.537 0.207 17 0 "[ . 1 . 2]" 1
498 1 50 LEU H 1 50 LEU HG . . 3.200 2.782 2.029 3.144 . 0 0 "[ . 1 . 2]" 1
499 1 50 LEU H 1 51 CYS H . . 4.470 2.637 2.408 2.992 . 0 0 "[ . 1 . 2]" 1
500 1 50 LEU H 1 52 CYS H . . 4.250 4.213 3.870 4.550 0.300 4 0 "[ . 1 . 2]" 1
501 1 50 LEU HA 1 50 LEU HG . . 2.800 2.561 2.364 2.867 0.067 9 0 "[ . 1 . 2]" 1
502 1 50 LEU HA 1 53 MET H . . 3.530 3.520 3.232 3.661 0.131 7 0 "[ . 1 . 2]" 1
503 1 50 LEU HB2 1 51 CYS H . . 4.220 3.015 2.145 3.547 . 0 0 "[ . 1 . 2]" 1
504 1 50 LEU HB3 1 51 CYS H . . 4.350 3.661 3.110 4.196 . 0 0 "[ . 1 . 2]" 1
505 1 50 LEU QD 1 53 MET QG . . 9.480 3.984 3.209 5.731 . 0 0 "[ . 1 . 2]" 1
506 1 51 CYS H 1 51 CYS HB2 . . 3.620 3.525 2.729 3.628 0.008 5 0 "[ . 1 . 2]" 1
507 1 51 CYS H 1 51 CYS QB . . 3.400 2.466 2.141 2.904 . 0 0 "[ . 1 . 2]" 1
508 1 51 CYS H 1 51 CYS HB3 . . 3.620 2.535 2.161 3.071 . 0 0 "[ . 1 . 2]" 1
509 1 51 CYS H 1 52 CYS H . . 3.430 2.531 2.190 2.901 . 0 0 "[ . 1 . 2]" 1
510 1 51 CYS H 1 53 MET H . . 4.320 3.618 3.379 4.106 . 0 0 "[ . 1 . 2]" 1
511 1 51 CYS HA 1 54 GLN QB . . 5.130 3.685 2.804 4.757 . 0 0 "[ . 1 . 2]" 1
512 1 51 CYS QB 1 52 CYS H . . 3.830 3.293 3.026 3.389 . 0 0 "[ . 1 . 2]" 1
513 1 51 CYS HB2 1 52 CYS H . . 4.120 3.728 3.161 4.296 0.176 19 0 "[ . 1 . 2]" 1
514 1 51 CYS HB3 1 52 CYS H . . 4.120 3.730 3.502 4.049 . 0 0 "[ . 1 . 2]" 1
515 1 52 CYS CB 1 94 CYS SG . . 3.100 3.096 3.039 3.155 0.055 10 0 "[ . 1 . 2]" 1
516 1 52 CYS H 1 52 CYS HB2 . . 3.890 2.265 2.104 2.871 . 0 0 "[ . 1 . 2]" 1
517 1 52 CYS H 1 52 CYS QB . . 3.510 2.170 2.060 2.440 . 0 0 "[ . 1 . 2]" 1
518 1 52 CYS H 1 52 CYS HB3 . . 3.890 2.975 2.450 3.530 . 0 0 "[ . 1 . 2]" 1
519 1 52 CYS H 1 53 MET H . . 3.430 2.609 1.882 2.826 . 0 0 "[ . 1 . 2]" 1
520 1 52 CYS H 1 53 MET QB . . 5.300 4.261 3.630 4.521 . 0 0 "[ . 1 . 2]" 1
521 1 52 CYS H 1 54 GLN H . . 5.270 4.993 4.329 5.444 0.174 4 0 "[ . 1 . 2]" 1
522 1 52 CYS HA 1 55 LEU HB2 . . 3.990 2.343 2.006 2.998 . 0 0 "[ . 1 . 2]" 1
523 1 52 CYS HA 1 55 LEU QB . . 3.490 2.306 1.980 2.920 . 0 0 "[ . 1 . 2]" 1
524 1 52 CYS HA 1 55 LEU HB3 . . 3.990 3.465 3.040 4.020 0.030 20 0 "[ . 1 . 2]" 1
525 1 52 CYS HA 1 55 LEU QD . . 8.600 2.584 2.097 3.896 . 0 0 "[ . 1 . 2]" 1
526 1 52 CYS HA 1 94 CYS HB3 . . 5.700 4.138 3.600 4.691 . 0 0 "[ . 1 . 2]" 1
527 1 52 CYS HA 1 96 LEU QD . . 6.710 2.538 1.950 2.882 . 0 0 "[ . 1 . 2]" 1
528 1 52 CYS QB 1 53 MET H . . 3.840 3.148 2.751 3.509 . 0 0 "[ . 1 . 2]" 1
529 1 52 CYS QB 1 55 LEU QD . . 8.420 3.937 3.448 5.139 . 0 0 "[ . 1 . 2]" 1
530 1 52 CYS QB 1 94 CYS HB2 . . 6.320 4.440 3.871 4.699 . 0 0 "[ . 1 . 2]" 1
531 1 52 CYS HB2 1 53 MET H . . 4.050 3.871 3.242 4.056 0.006 14 0 "[ . 1 . 2]" 1
532 1 52 CYS HB3 1 53 MET H . . 4.050 3.414 2.805 4.142 0.092 18 0 "[ . 1 . 2]" 1
533 1 52 CYS SG 1 94 CYS CB . . 3.100 3.041 2.972 3.139 0.039 7 0 "[ . 1 . 2]" 1
534 1 52 CYS SG 1 94 CYS SG . . 2.100 2.044 2.007 2.083 . 0 0 "[ . 1 . 2]" 1
535 1 53 MET H 1 53 MET HB2 . . 3.570 2.565 2.161 3.011 . 0 0 "[ . 1 . 2]" 1
536 1 53 MET H 1 53 MET QB . . 3.230 2.207 2.101 2.280 . 0 0 "[ . 1 . 2]" 1
537 1 53 MET H 1 53 MET HB3 . . 3.570 2.508 2.281 2.865 . 0 0 "[ . 1 . 2]" 1
538 1 53 MET H 1 53 MET HG2 . . 5.610 4.445 4.308 4.642 . 0 0 "[ . 1 . 2]" 1
539 1 53 MET H 1 53 MET HG3 . . 5.610 4.396 4.136 4.750 . 0 0 "[ . 1 . 2]" 1
540 1 53 MET H 1 54 GLN H . . 3.760 2.849 2.268 3.161 . 0 0 "[ . 1 . 2]" 1
541 1 53 MET HA 1 53 MET QB . . 2.760 2.364 2.282 2.477 . 0 0 "[ . 1 . 2]" 1
542 1 53 MET HA 1 53 MET QG . . 3.690 2.584 2.122 3.166 . 0 0 "[ . 1 . 2]" 1
543 1 53 MET HA 1 56 LYS H . . 5.420 3.744 3.333 4.137 . 0 0 "[ . 1 . 2]" 1
544 1 53 MET HA 1 56 LYS QB . . 5.910 3.381 2.463 4.204 . 0 0 "[ . 1 . 2]" 1
545 1 53 MET HA 1 56 LYS QD . . 6.130 5.017 3.088 5.504 . 0 0 "[ . 1 . 2]" 1
546 1 53 MET ME 1 54 GLN H . . 6.630 3.449 2.680 4.383 . 0 0 "[ . 1 . 2]" 1
547 1 53 MET ME 1 57 ASN QB . . 5.400 3.513 2.690 3.879 . 0 0 "[ . 1 . 2]" 1
548 1 53 MET ME 1 57 ASN QD . . 7.900 2.720 1.915 4.962 . 0 0 "[ . 1 . 2]" 1
549 1 53 MET QG 1 54 GLN H . . 5.100 3.190 2.283 3.941 . 0 0 "[ . 1 . 2]" 1
550 1 53 MET QG 1 54 GLN HA . . 5.230 3.661 2.894 4.509 . 0 0 "[ . 1 . 2]" 1
551 1 54 GLN H 1 54 GLN HB2 . . 3.590 2.207 1.998 2.449 . 0 0 "[ . 1 . 2]" 1
552 1 54 GLN H 1 54 GLN HB3 . . 3.590 3.463 3.150 3.572 . 0 0 "[ . 1 . 2]" 1
553 1 54 GLN H 1 55 LEU H . . 3.890 2.696 2.550 2.889 . 0 0 "[ . 1 . 2]" 1
554 1 54 GLN HA 1 54 GLN QG . . 3.930 2.217 2.015 2.641 . 0 0 "[ . 1 . 2]" 1
555 1 54 GLN HA 1 56 LYS H . . 4.350 4.016 3.728 4.654 0.304 9 0 "[ . 1 . 2]" 1
556 1 54 GLN HA 1 57 ASN H . . 4.190 3.043 2.698 3.563 . 0 0 "[ . 1 . 2]" 1
557 1 54 GLN HA 1 57 ASN QB . . 5.400 2.249 1.974 3.148 . 0 0 "[ . 1 . 2]" 1
558 1 54 GLN HA 1 57 ASN HD21 . . 5.310 2.895 2.227 3.679 . 0 0 "[ . 1 . 2]" 1
559 1 54 GLN HA 1 57 ASN QD . . 4.980 2.855 2.216 3.583 . 0 0 "[ . 1 . 2]" 1
560 1 54 GLN HA 1 57 ASN HD22 . . 5.310 4.445 3.767 5.291 . 0 0 "[ . 1 . 2]" 1
561 1 54 GLN QB 1 57 ASN QD . . 7.640 4.325 3.314 5.059 . 0 0 "[ . 1 . 2]" 1
562 1 55 LEU H 1 55 LEU QB . . 3.490 2.065 1.945 2.136 . 0 0 "[ . 1 . 2]" 1
563 1 55 LEU H 1 55 LEU MD1 . . 4.980 3.322 2.801 4.249 . 0 0 "[ . 1 . 2]" 1
564 1 55 LEU H 1 55 LEU QD . . 4.490 3.036 2.328 3.362 . 0 0 "[ . 1 . 2]" 1
565 1 55 LEU H 1 55 LEU MD2 . . 4.980 3.997 2.342 4.309 . 0 0 "[ . 1 . 2]" 1
566 1 55 LEU H 1 55 LEU HG . . 3.480 3.128 2.853 3.701 0.221 16 0 "[ . 1 . 2]" 1
567 1 55 LEU H 1 56 LYS H . . 3.930 2.755 2.614 2.880 . 0 0 "[ . 1 . 2]" 1
568 1 55 LEU H 1 57 ASN H . . 4.830 4.022 3.815 4.391 . 0 0 "[ . 1 . 2]" 1
569 1 55 LEU HA 1 55 LEU HG . . 4.080 2.472 2.179 3.687 . 0 0 "[ . 1 . 2]" 1
570 1 55 LEU HA 1 56 LYS H . . 3.460 3.550 3.491 3.598 0.138 16 0 "[ . 1 . 2]" 1
571 1 55 LEU HA 1 58 LEU H . . 3.660 3.260 2.667 3.648 . 0 0 "[ . 1 . 2]" 1
572 1 55 LEU HA 1 58 LEU QB . . 5.030 2.638 2.046 3.179 . 0 0 "[ . 1 . 2]" 1
573 1 55 LEU HA 1 58 LEU QD . . 5.330 2.967 2.024 3.563 . 0 0 "[ . 1 . 2]" 1
574 1 55 LEU QB 1 56 LYS H . . 3.300 2.770 2.539 2.918 . 0 0 "[ . 1 . 2]" 1
575 1 55 LEU HB2 1 56 LYS H . . 3.530 2.968 2.661 3.277 . 0 0 "[ . 1 . 2]" 1
576 1 55 LEU HB3 1 56 LYS H . . 3.530 3.332 3.121 3.455 . 0 0 "[ . 1 . 2]" 1
577 1 55 LEU QD 1 56 LYS H . . 5.760 4.213 4.024 4.315 . 0 0 "[ . 1 . 2]" 1
578 1 55 LEU QD 1 63 MET QB . . 8.590 3.456 2.875 3.997 . 0 0 "[ . 1 . 2]" 1
579 1 55 LEU QD 1 63 MET QG . . 6.830 2.722 1.723 3.880 . 0 0 "[ . 1 . 2]" 1
580 1 55 LEU QD 1 67 ILE HA . . 6.950 4.672 4.223 4.987 . 0 0 "[ . 1 . 2]" 1
581 1 55 LEU QD 1 67 ILE QG . . 6.340 3.175 2.548 3.602 . 0 0 "[ . 1 . 2]" 1
582 1 55 LEU QD 1 91 PRO QD . . 9.480 4.479 4.342 4.910 . 0 0 "[ . 1 . 2]" 1
583 1 55 LEU MD1 1 56 LYS H . . 7.030 4.726 4.477 4.906 . 0 0 "[ . 1 . 2]" 1
584 1 55 LEU MD1 1 63 MET HG2 . . 8.980 5.103 2.150 6.809 . 0 0 "[ . 1 . 2]" 1
585 1 55 LEU MD1 1 63 MET HG3 . . 8.980 6.047 2.726 7.467 . 0 0 "[ . 1 . 2]" 1
586 1 55 LEU MD2 1 56 LYS H . . 7.030 4.754 4.299 4.914 . 0 0 "[ . 1 . 2]" 1
587 1 55 LEU MD2 1 63 MET HG2 . . 8.980 3.072 1.767 7.219 . 0 0 "[ . 1 . 2]" 1
588 1 55 LEU MD2 1 63 MET HG3 . . 8.980 3.965 2.412 6.308 . 0 0 "[ . 1 . 2]" 1
589 1 56 LYS H 1 56 LYS QB . . 3.420 2.219 2.112 2.271 . 0 0 "[ . 1 . 2]" 1
590 1 56 LYS H 1 57 ASN H . . 3.260 2.637 2.526 2.852 . 0 0 "[ . 1 . 2]" 1
591 1 56 LYS H 1 57 ASN QB . . 6.720 4.275 4.037 4.549 . 0 0 "[ . 1 . 2]" 1
592 1 56 LYS HA 1 58 LEU H . . 3.920 3.931 3.698 4.140 0.220 19 0 "[ . 1 . 2]" 1
593 1 56 LYS HA 1 96 LEU QD . . 5.660 3.494 3.135 3.793 . 0 0 "[ . 1 . 2]" 1
594 1 56 LYS QB 1 57 ASN H . . 4.570 3.035 2.533 3.512 . 0 0 "[ . 1 . 2]" 1
595 1 56 LYS QB 1 57 ASN QD . . 7.740 5.036 4.159 5.984 . 0 0 "[ . 1 . 2]" 1
596 1 56 LYS QB 1 96 LEU QD . . 6.140 3.629 3.472 3.706 . 0 0 "[ . 1 . 2]" 1
597 1 56 LYS QD 1 96 LEU QD . . 7.160 4.201 3.777 4.390 . 0 0 "[ . 1 . 2]" 1
598 1 56 LYS QG 1 57 ASN H . . 6.880 3.933 3.435 4.358 . 0 0 "[ . 1 . 2]" 1
599 1 57 ASN H 1 57 ASN HB2 . . 3.430 2.166 2.050 2.934 . 0 0 "[ . 1 . 2]" 1
600 1 57 ASN H 1 57 ASN QB . . 3.050 2.101 2.032 2.246 . 0 0 "[ . 1 . 2]" 1
601 1 57 ASN H 1 57 ASN HB3 . . 3.430 3.241 2.198 3.477 0.047 2 0 "[ . 1 . 2]" 1
602 1 57 ASN H 1 58 LEU H . . 3.030 2.470 2.033 2.882 . 0 0 "[ . 1 . 2]" 1
603 1 57 ASN H 1 58 LEU HG . . 5.370 5.156 4.672 5.670 0.300 11 0 "[ . 1 . 2]" 1
604 1 57 ASN HA 1 57 ASN HB2 . . 2.960 2.845 2.277 2.953 . 0 0 "[ . 1 . 2]" 1
605 1 57 ASN HA 1 57 ASN QB . . 2.760 2.502 2.206 2.531 . 0 0 "[ . 1 . 2]" 1
606 1 57 ASN HA 1 57 ASN HB3 . . 2.960 2.797 2.646 2.956 . 0 0 "[ . 1 . 2]" 1
607 1 57 ASN HA 1 58 LEU H . . 3.530 3.490 3.439 3.535 0.005 11 0 "[ . 1 . 2]" 1
608 1 57 ASN HA 1 58 LEU QD . . 8.600 5.500 5.374 5.733 . 0 0 "[ . 1 . 2]" 1
609 1 57 ASN QB 1 58 LEU QD . . 9.480 4.215 3.983 4.650 . 0 0 "[ . 1 . 2]" 1
610 1 57 ASN HB2 1 58 LEU H . . 5.410 3.383 2.979 4.265 . 0 0 "[ . 1 . 2]" 1
611 1 57 ASN HB3 1 58 LEU H . . 5.410 3.342 3.083 3.550 . 0 0 "[ . 1 . 2]" 1
612 1 58 LEU H 1 58 LEU HB2 . . 3.390 2.085 2.035 2.160 . 0 0 "[ . 1 . 2]" 1
613 1 58 LEU H 1 58 LEU QB . . 2.940 2.066 2.017 2.140 . 0 0 "[ . 1 . 2]" 1
614 1 58 LEU H 1 58 LEU HB3 . . 3.390 3.386 3.314 3.474 0.084 9 0 "[ . 1 . 2]" 1
615 1 58 LEU H 1 58 LEU HG . . 3.390 3.215 2.870 3.436 0.046 5 0 "[ . 1 . 2]" 1
616 1 58 LEU H 1 59 ASP H . . 6.840 4.469 3.215 4.612 . 0 0 "[ . 1 . 2]" 1
617 1 58 LEU QB 1 59 ASP H . . 3.530 2.139 1.874 2.558 . 0 0 "[ . 1 . 2]" 1
618 1 58 LEU QB 1 62 CYS HB2 . . 4.670 2.998 2.343 3.753 . 0 0 "[ . 1 . 2]" 1
619 1 58 LEU QB 1 62 CYS HB3 . . 5.630 3.790 2.991 4.570 . 0 0 "[ . 1 . 2]" 1
620 1 58 LEU QB 1 63 MET QG . . 5.050 2.693 2.003 3.818 . 0 0 "[ . 1 . 2]" 1
621 1 58 LEU HB2 1 59 ASP H . . 3.920 3.595 2.605 3.944 0.024 15 0 "[ . 1 . 2]" 1
622 1 58 LEU HB2 1 63 MET HG2 . . 6.000 3.841 3.148 5.478 . 0 0 "[ . 1 . 2]" 1
623 1 58 LEU HB2 1 63 MET HG3 . . 6.000 3.892 3.108 5.365 . 0 0 "[ . 1 . 2]" 1
624 1 58 LEU HB3 1 59 ASP H . . 3.920 2.157 1.921 2.591 . 0 0 "[ . 1 . 2]" 1
625 1 58 LEU HB3 1 63 MET HG2 . . 6.000 3.652 2.524 4.654 . 0 0 "[ . 1 . 2]" 1
626 1 58 LEU HB3 1 63 MET HG3 . . 6.000 3.275 2.085 4.752 . 0 0 "[ . 1 . 2]" 1
627 1 58 LEU QD 1 59 ASP H . . 6.470 2.392 2.060 3.421 . 0 0 "[ . 1 . 2]" 1
628 1 58 LEU QD 1 62 CYS HB2 . . 6.090 2.718 2.145 3.220 . 0 0 "[ . 1 . 2]" 1
629 1 58 LEU QD 1 62 CYS HB3 . . 6.130 2.602 1.971 3.084 . 0 0 "[ . 1 . 2]" 1
630 1 58 LEU QD 1 63 MET HA . . 9.440 3.816 3.232 4.530 . 0 0 "[ . 1 . 2]" 1
631 1 58 LEU QD 1 63 MET QG . . 6.680 3.308 2.587 4.301 . 0 0 "[ . 1 . 2]" 1
632 1 58 LEU QD 1 66 ALA MB . . 5.110 2.802 2.573 3.170 . 0 0 "[ . 1 . 2]" 1
633 1 58 LEU MD1 1 59 ASP H . . 7.030 3.690 3.282 4.213 . 0 0 "[ . 1 . 2]" 1
634 1 58 LEU MD1 1 62 CYS HB2 . . 7.030 3.474 2.533 4.575 . 0 0 "[ . 1 . 2]" 1
635 1 58 LEU MD1 1 62 CYS HB3 . . 7.030 3.121 2.057 4.494 . 0 0 "[ . 1 . 2]" 1
636 1 58 LEU MD1 1 63 MET HG2 . . 7.620 3.928 3.187 5.010 . 0 0 "[ . 1 . 2]" 1
637 1 58 LEU MD1 1 63 MET HG3 . . 7.620 4.069 2.891 5.446 . 0 0 "[ . 1 . 2]" 1
638 1 58 LEU MD1 1 66 ALA MB . . 5.710 2.939 2.612 3.468 . 0 0 "[ . 1 . 2]" 1
639 1 58 LEU MD2 1 59 ASP H . . 7.030 2.443 2.071 3.880 . 0 0 "[ . 1 . 2]" 1
640 1 58 LEU MD2 1 62 CYS HB2 . . 7.030 2.879 2.316 3.484 . 0 0 "[ . 1 . 2]" 1
641 1 58 LEU MD2 1 62 CYS HB3 . . 7.030 2.920 2.509 3.750 . 0 0 "[ . 1 . 2]" 1
642 1 58 LEU MD2 1 63 MET HG2 . . 7.620 5.317 4.293 6.082 . 0 0 "[ . 1 . 2]" 1
643 1 58 LEU MD2 1 63 MET HG3 . . 7.620 4.971 3.487 6.424 . 0 0 "[ . 1 . 2]" 1
644 1 58 LEU MD2 1 66 ALA MB . . 5.710 3.748 3.213 3.899 . 0 0 "[ . 1 . 2]" 1
645 1 58 LEU HG 1 59 ASP H . . 6.000 4.279 4.021 4.561 . 0 0 "[ . 1 . 2]" 1
646 1 59 ASP HA 1 60 GLU H . . 2.730 2.273 2.209 2.355 . 0 0 "[ . 1 . 2]" 1
647 1 59 ASP HA 1 61 LYS H . . 4.320 3.894 3.640 4.318 . 0 0 "[ . 1 . 2]" 1
648 1 59 ASP HA 1 62 CYS H . . 4.320 4.223 4.080 4.377 0.057 15 0 "[ . 1 . 2]" 1
649 1 59 ASP HA 1 63 MET ME . . 6.430 5.067 3.719 5.430 . 0 0 "[ . 1 . 2]" 1
650 1 59 ASP QB 1 61 LYS H . . 4.760 2.474 1.966 3.111 . 0 0 "[ . 1 . 2]" 1
651 1 60 GLU H 1 60 GLU HB2 . . 3.200 2.124 2.051 2.324 . 0 0 "[ . 1 . 2]" 1
652 1 60 GLU H 1 60 GLU QB . . 2.910 2.083 2.028 2.207 . 0 0 "[ . 1 . 2]" 1
653 1 60 GLU H 1 60 GLU HB3 . . 3.200 3.087 2.752 3.265 0.065 3 0 "[ . 1 . 2]" 1
654 1 60 GLU H 1 61 LYS H . . 3.530 2.654 2.454 2.871 . 0 0 "[ . 1 . 2]" 1
655 1 60 GLU H 1 61 LYS QB . . 6.880 4.557 4.211 4.939 . 0 0 "[ . 1 . 2]" 1
656 1 60 GLU H 1 61 LYS QG . . 6.880 4.844 3.856 6.289 . 0 0 "[ . 1 . 2]" 1
657 1 60 GLU H 1 62 CYS H . . 5.310 3.995 3.675 4.165 . 0 0 "[ . 1 . 2]" 1
658 1 60 GLU H 1 63 MET ME . . 6.570 4.243 3.070 5.522 . 0 0 "[ . 1 . 2]" 1
659 1 60 GLU HA 1 60 GLU QG . . 3.740 2.066 1.953 2.211 . 0 0 "[ . 1 . 2]" 1
660 1 60 GLU HA 1 63 MET H . . 3.590 3.438 3.128 3.774 0.184 16 0 "[ . 1 . 2]" 1
661 1 60 GLU HA 1 63 MET QG . . 4.170 2.995 1.894 3.787 . 0 0 "[ . 1 . 2]" 1
662 1 60 GLU QB 1 61 LYS H . . 3.600 2.959 2.502 3.251 . 0 0 "[ . 1 . 2]" 1
663 1 60 GLU HB2 1 61 LYS H . . 3.790 3.639 3.558 3.739 . 0 0 "[ . 1 . 2]" 1
664 1 60 GLU HB3 1 61 LYS H . . 3.790 3.164 2.542 3.610 . 0 0 "[ . 1 . 2]" 1
665 1 60 GLU HG2 1 61 LYS H . . 6.000 4.913 4.204 5.463 . 0 0 "[ . 1 . 2]" 1
666 1 60 GLU HG3 1 61 LYS H . . 6.000 5.112 4.442 5.459 . 0 0 "[ . 1 . 2]" 1
667 1 61 LYS H 1 61 LYS QG . . 4.900 2.882 2.071 3.970 . 0 0 "[ . 1 . 2]" 1
668 1 61 LYS H 1 62 CYS H . . 3.160 2.395 2.160 2.801 . 0 0 "[ . 1 . 2]" 1
669 1 61 LYS H 1 63 MET H . . 4.710 3.826 3.536 4.051 . 0 0 "[ . 1 . 2]" 1
670 1 62 CYS H 1 62 CYS HB2 . . 2.830 2.386 2.284 2.496 . 0 0 "[ . 1 . 2]" 1
671 1 62 CYS H 1 62 CYS HB3 . . 3.590 3.585 3.551 3.655 0.065 5 0 "[ . 1 . 2]" 1
672 1 62 CYS H 1 63 MET H . . 2.770 2.339 2.082 2.717 . 0 0 "[ . 1 . 2]" 1
673 1 62 CYS H 1 63 MET QG . . 5.660 3.847 3.001 4.481 . 0 0 "[ . 1 . 2]" 1
674 1 62 CYS H 1 64 CYS H . . 5.570 5.420 5.140 5.676 0.106 9 0 "[ . 1 . 2]" 1
675 1 62 CYS HA 1 64 CYS H . . 5.180 4.023 3.674 4.484 . 0 0 "[ . 1 . 2]" 1
676 1 62 CYS HA 1 65 PRO HD2 . . 3.690 2.589 2.384 2.819 . 0 0 "[ . 1 . 2]" 1
677 1 62 CYS HA 1 65 PRO HD3 . . 5.410 3.957 3.644 4.328 . 0 0 "[ . 1 . 2]" 1
678 1 62 CYS HA 1 65 PRO HG2 . . 6.000 2.336 2.181 2.850 . 0 0 "[ . 1 . 2]" 1
679 1 62 CYS HA 1 65 PRO QG . . 5.400 2.313 2.164 2.812 . 0 0 "[ . 1 . 2]" 1
680 1 62 CYS HA 1 65 PRO HG3 . . 6.000 3.734 3.463 4.305 . 0 0 "[ . 1 . 2]" 1
681 1 62 CYS HA 1 66 ALA H . . 4.750 3.146 2.964 3.504 . 0 0 "[ . 1 . 2]" 1
682 1 62 CYS HA 1 66 ALA MB . . 7.030 3.023 2.644 3.573 . 0 0 "[ . 1 . 2]" 1
683 1 62 CYS HB2 1 63 MET H . . 4.020 3.481 3.180 3.830 . 0 0 "[ . 1 . 2]" 1
684 1 62 CYS HB2 1 66 ALA MB . . 4.550 3.800 3.718 3.868 . 0 0 "[ . 1 . 2]" 1
685 1 62 CYS HB3 1 63 MET H . . 4.420 4.210 4.038 4.449 0.029 8 0 "[ . 1 . 2]" 1
686 1 62 CYS HB3 1 66 ALA MB . . 5.440 2.438 2.327 2.615 . 0 0 "[ . 1 . 2]" 1
687 1 63 MET H 1 63 MET HB2 . . 3.780 2.316 2.084 2.721 . 0 0 "[ . 1 . 2]" 1
688 1 63 MET H 1 63 MET QB . . 3.330 2.285 2.066 2.652 . 0 0 "[ . 1 . 2]" 1
689 1 63 MET H 1 63 MET HB3 . . 3.780 3.535 3.411 3.668 . 0 0 "[ . 1 . 2]" 1
690 1 63 MET H 1 63 MET ME . . 5.010 4.022 3.775 4.374 . 0 0 "[ . 1 . 2]" 1
691 1 63 MET H 1 63 MET HG2 . . 4.820 3.656 2.272 4.567 . 0 0 "[ . 1 . 2]" 1
692 1 63 MET H 1 63 MET QG . . 4.090 2.743 2.255 3.418 . 0 0 "[ . 1 . 2]" 1
693 1 63 MET H 1 63 MET HG3 . . 4.820 2.946 2.434 3.763 . 0 0 "[ . 1 . 2]" 1
694 1 63 MET H 1 64 CYS H . . 5.180 3.655 3.240 3.950 . 0 0 "[ . 1 . 2]" 1
695 1 63 MET H 1 65 PRO HD2 . . 4.050 3.360 2.982 3.663 . 0 0 "[ . 1 . 2]" 1
696 1 63 MET HA 1 63 MET HG2 . . 4.270 2.674 2.194 3.516 . 0 0 "[ . 1 . 2]" 1
697 1 63 MET HA 1 63 MET QG . . 3.870 2.359 2.140 3.223 . 0 0 "[ . 1 . 2]" 1
698 1 63 MET HA 1 63 MET HG3 . . 4.270 2.922 2.288 3.761 . 0 0 "[ . 1 . 2]" 1
699 1 63 MET HA 1 66 ALA MB . . 4.680 3.588 3.415 3.680 . 0 0 "[ . 1 . 2]" 1
700 1 63 MET HA 1 67 ILE H . . 4.050 3.995 3.777 4.153 0.103 9 0 "[ . 1 . 2]" 1
701 1 63 MET HB2 1 64 CYS H . . 4.630 4.458 4.342 4.545 . 0 0 "[ . 1 . 2]" 1
702 1 63 MET HB3 1 64 CYS H . . 4.630 4.301 4.134 4.419 . 0 0 "[ . 1 . 2]" 1
703 1 63 MET ME 1 96 LEU HB2 . . 5.770 4.131 3.670 4.787 . 0 0 "[ . 1 . 2]" 1
704 1 63 MET ME 1 96 LEU QB . . 4.940 2.939 2.255 3.485 . 0 0 "[ . 1 . 2]" 1
705 1 63 MET ME 1 96 LEU HB3 . . 5.770 3.012 2.276 3.596 . 0 0 "[ . 1 . 2]" 1
706 1 63 MET ME 1 96 LEU QD . . 7.180 2.323 1.846 3.323 . 0 0 "[ . 1 . 2]" 1
707 1 63 MET QG 1 64 CYS H . . 8.250 4.476 4.347 4.959 . 0 0 "[ . 1 . 2]" 1
708 1 63 MET QG 1 67 ILE MD . . 7.910 4.770 4.122 5.631 . 0 0 "[ . 1 . 2]" 1
709 1 64 CYS CB 1 101 CYS SG . . 3.100 3.146 3.088 3.216 0.116 5 0 "[ . 1 . 2]" 1
710 1 64 CYS H 1 64 CYS QB . . 3.910 3.157 3.068 3.374 . 0 0 "[ . 1 . 2]" 1
711 1 64 CYS H 1 65 PRO QB . . 5.780 4.813 4.641 4.993 . 0 0 "[ . 1 . 2]" 1
712 1 64 CYS H 1 65 PRO HD2 . . 3.290 2.162 1.898 2.395 . 0 0 "[ . 1 . 2]" 1
713 1 64 CYS H 1 65 PRO HD3 . . 3.590 3.213 2.970 3.448 . 0 0 "[ . 1 . 2]" 1
714 1 64 CYS H 1 65 PRO QG . . 6.880 4.017 3.799 4.216 . 0 0 "[ . 1 . 2]" 1
715 1 64 CYS H 1 66 ALA H . . 4.850 2.517 2.307 2.732 . 0 0 "[ . 1 . 2]" 1
716 1 64 CYS H 1 66 ALA MB . . 7.030 3.137 3.027 3.282 . 0 0 "[ . 1 . 2]" 1
717 1 64 CYS H 1 67 ILE MD . . 7.030 4.327 4.117 4.589 . 0 0 "[ . 1 . 2]" 1
718 1 64 CYS H 1 91 PRO QB . . 6.880 5.884 5.571 6.132 . 0 0 "[ . 1 . 2]" 1
719 1 64 CYS HA 1 66 ALA H . . 6.000 4.590 4.400 4.760 . 0 0 "[ . 1 . 2]" 1
720 1 64 CYS HA 1 67 ILE H . . 3.990 3.935 3.704 4.035 0.045 3 0 "[ . 1 . 2]" 1
721 1 64 CYS HA 1 67 ILE HB . . 3.360 3.154 2.822 3.392 0.032 11 0 "[ . 1 . 2]" 1
722 1 64 CYS HA 1 67 ILE MD . . 4.720 3.845 3.497 4.141 . 0 0 "[ . 1 . 2]" 1
723 1 64 CYS HA 1 67 ILE MG . . 7.030 4.210 3.802 4.528 . 0 0 "[ . 1 . 2]" 1
724 1 64 CYS QB 1 65 PRO HD3 . . 2.900 1.909 1.787 2.056 . 0 0 "[ . 1 . 2]" 1
725 1 64 CYS HB2 1 65 PRO HD2 . . 4.850 4.353 3.339 4.454 . 0 0 "[ . 1 . 2]" 1
726 1 64 CYS HB2 1 65 PRO HD3 . . 3.330 3.372 1.956 3.520 0.190 15 0 "[ . 1 . 2]" 1
727 1 64 CYS HB3 1 65 PRO HD2 . . 4.850 3.056 2.940 4.458 . 0 0 "[ . 1 . 2]" 1
728 1 64 CYS HB3 1 65 PRO HD3 . . 3.330 1.992 1.793 3.422 0.092 12 0 "[ . 1 . 2]" 1
729 1 64 CYS SG 1 101 CYS CB . . 3.100 3.070 3.000 3.236 0.136 11 0 "[ . 1 . 2]" 1
730 1 64 CYS SG 1 101 CYS SG . . 2.100 2.046 1.988 2.127 0.027 11 0 "[ . 1 . 2]" 1
731 1 65 PRO HA 1 68 MET H . . 4.050 3.850 3.736 4.049 . 0 0 "[ . 1 . 2]" 1
732 1 65 PRO QB 1 66 ALA H . . 4.120 3.184 3.057 3.316 . 0 0 "[ . 1 . 2]" 1
733 1 65 PRO HD2 1 66 ALA H . . 5.180 2.183 2.136 2.226 . 0 0 "[ . 1 . 2]" 1
734 1 65 PRO QG 1 66 ALA H . . 3.820 2.791 2.629 2.962 . 0 0 "[ . 1 . 2]" 1
735 1 65 PRO QG 1 67 ILE H . . 6.880 5.153 4.977 5.390 . 0 0 "[ . 1 . 2]" 1
736 1 65 PRO HG2 1 66 ALA H . . 4.350 2.843 2.670 3.029 . 0 0 "[ . 1 . 2]" 1
737 1 65 PRO HG3 1 66 ALA H . . 4.350 4.063 3.945 4.187 . 0 0 "[ . 1 . 2]" 1
738 1 66 ALA H 1 66 ALA HA . . 2.770 2.854 2.832 2.884 0.114 17 0 "[ . 1 . 2]" 1
739 1 66 ALA H 1 67 ILE H . . 3.390 2.644 2.461 2.780 . 0 0 "[ . 1 . 2]" 1
740 1 66 ALA H 1 67 ILE MG . . 7.030 5.777 5.494 5.921 . 0 0 "[ . 1 . 2]" 1
741 1 66 ALA HA 1 69 MET H . . 3.260 3.389 3.263 3.504 0.244 15 0 "[ . 1 . 2]" 1
742 1 66 ALA HA 1 69 MET HB2 . . 3.030 2.872 2.622 3.078 0.048 5 0 "[ . 1 . 2]" 1
743 1 66 ALA HA 1 69 MET QG . . 6.520 3.686 3.573 3.865 . 0 0 "[ . 1 . 2]" 1
744 1 66 ALA MB 1 67 ILE HA . . 7.770 3.842 3.783 3.942 . 0 0 "[ . 1 . 2]" 1
745 1 66 ALA MB 1 67 ILE HB . . 5.880 4.624 4.329 4.731 . 0 0 "[ . 1 . 2]" 1
746 1 66 ALA MB 1 69 MET HB2 . . 7.030 3.909 3.736 4.077 . 0 0 "[ . 1 . 2]" 1
747 1 66 ALA MB 1 69 MET QG . . 6.320 4.739 4.676 4.809 . 0 0 "[ . 1 . 2]" 1
748 1 66 ALA MB 1 70 MET H . . 6.370 4.270 4.064 4.492 . 0 0 "[ . 1 . 2]" 1
749 1 67 ILE H 1 67 ILE HB . . 2.700 2.512 2.297 2.653 . 0 0 "[ . 1 . 2]" 1
750 1 67 ILE H 1 67 ILE MD . . 5.340 3.836 3.701 4.099 . 0 0 "[ . 1 . 2]" 1
751 1 67 ILE H 1 67 ILE QG . . 3.580 2.182 1.972 2.573 . 0 0 "[ . 1 . 2]" 1
752 1 67 ILE H 1 67 ILE MG . . 4.750 3.776 3.711 3.859 . 0 0 "[ . 1 . 2]" 1
753 1 67 ILE H 1 68 MET H . . 3.990 3.075 2.906 3.259 . 0 0 "[ . 1 . 2]" 1
754 1 67 ILE H 1 69 MET H . . 4.910 4.807 4.457 5.020 0.110 19 0 "[ . 1 . 2]" 1
755 1 67 ILE H 1 70 MET ME . . 7.650 6.267 6.031 6.423 . 0 0 "[ . 1 . 2]" 1
756 1 67 ILE H 1 96 LEU QB . . 6.880 6.317 6.248 6.490 . 0 0 "[ . 1 . 2]" 1
757 1 67 ILE HA 1 70 MET H . . 4.250 3.288 2.964 3.495 . 0 0 "[ . 1 . 2]" 1
758 1 67 ILE HA 1 70 MET HB2 . . 3.890 3.413 3.149 3.588 . 0 0 "[ . 1 . 2]" 1
759 1 67 ILE HA 1 70 MET QB . . 3.620 2.069 1.969 2.192 . 0 0 "[ . 1 . 2]" 1
760 1 67 ILE HA 1 70 MET HB3 . . 3.890 2.087 1.989 2.218 . 0 0 "[ . 1 . 2]" 1
761 1 67 ILE HA 1 70 MET ME . . 4.870 4.149 3.901 4.287 . 0 0 "[ . 1 . 2]" 1
762 1 67 ILE HA 1 71 LEU H . . 5.470 4.497 4.062 4.765 . 0 0 "[ . 1 . 2]" 1
763 1 67 ILE HB 1 67 ILE MD . . 3.730 2.928 2.605 3.132 . 0 0 "[ . 1 . 2]" 1
764 1 67 ILE HB 1 68 MET H . . 3.200 2.536 2.323 2.753 . 0 0 "[ . 1 . 2]" 1
765 1 67 ILE MD 1 68 MET H . . 6.570 4.863 4.637 5.007 . 0 0 "[ . 1 . 2]" 1
766 1 67 ILE MD 1 70 MET QG . . 6.460 4.426 3.571 4.682 . 0 0 "[ . 1 . 2]" 1
767 1 67 ILE MD 1 87 ALA HA . . 5.970 4.915 4.570 4.994 . 0 0 "[ . 1 . 2]" 1
768 1 67 ILE MD 1 91 PRO QB . . 5.040 1.957 1.752 2.214 . 0 0 "[ . 1 . 2]" 1
769 1 67 ILE MD 1 91 PRO HD2 . . 5.180 4.122 3.962 4.197 . 0 0 "[ . 1 . 2]" 1
770 1 67 ILE MD 1 91 PRO QD . . 4.690 3.524 3.448 3.574 . 0 0 "[ . 1 . 2]" 1
771 1 67 ILE MD 1 91 PRO HD3 . . 5.180 3.829 3.750 3.909 . 0 0 "[ . 1 . 2]" 1
772 1 67 ILE MD 1 97 MET QG . . 7.020 2.547 1.981 3.298 . 0 0 "[ . 1 . 2]" 1
773 1 67 ILE QG 1 68 MET H . . 5.990 4.041 3.824 4.271 . 0 0 "[ . 1 . 2]" 1
774 1 67 ILE QG 1 96 LEU QB . . 5.770 4.110 3.885 4.356 . 0 0 "[ . 1 . 2]" 1
775 1 67 ILE MG 1 68 MET H . . 5.280 3.103 2.674 3.470 . 0 0 "[ . 1 . 2]" 1
776 1 67 ILE MG 1 68 MET HA . . 6.860 3.303 2.924 3.636 . 0 0 "[ . 1 . 2]" 1
777 1 67 ILE MG 1 70 MET QB . . 5.000 3.526 3.403 3.654 . 0 0 "[ . 1 . 2]" 1
778 1 67 ILE MG 1 70 MET ME . . 5.990 2.810 2.615 3.001 . 0 0 "[ . 1 . 2]" 1
779 1 67 ILE MG 1 71 LEU H . . 7.030 4.280 3.818 4.444 . 0 0 "[ . 1 . 2]" 1
780 1 67 ILE MG 1 71 LEU HG . . 6.270 3.715 3.361 4.241 . 0 0 "[ . 1 . 2]" 1
781 1 67 ILE MG 1 88 HIS HA . . 6.170 3.682 3.138 4.106 . 0 0 "[ . 1 . 2]" 1
782 1 68 MET H 1 68 MET HG2 . . 4.710 3.864 2.125 4.386 . 0 0 "[ . 1 . 2]" 1
783 1 68 MET H 1 68 MET QG . . 4.110 3.007 1.956 3.919 . 0 0 "[ . 1 . 2]" 1
784 1 68 MET H 1 68 MET HG3 . . 4.710 3.299 1.967 4.417 . 0 0 "[ . 1 . 2]" 1
785 1 68 MET H 1 69 MET H . . 3.100 3.123 2.990 3.263 0.163 15 0 "[ . 1 . 2]" 1
786 1 68 MET HA 1 71 LEU H . . 3.920 3.802 3.629 4.007 0.087 3 0 "[ . 1 . 2]" 1
787 1 68 MET HA 1 71 LEU QB . . 4.600 3.761 3.671 3.815 . 0 0 "[ . 1 . 2]" 1
788 1 68 MET HA 1 71 LEU QD . . 7.010 3.472 2.537 4.564 . 0 0 "[ . 1 . 2]" 1
789 1 68 MET QB 1 69 MET H . . 4.370 2.195 1.979 2.474 . 0 0 "[ . 1 . 2]" 1
790 1 69 MET H 1 69 MET HB2 . . 2.960 2.262 2.160 2.410 . 0 0 "[ . 1 . 2]" 1
791 1 69 MET H 1 69 MET HB3 . . 3.330 3.505 3.467 3.552 0.222 16 0 "[ . 1 . 2]" 1
792 1 69 MET H 1 69 MET HG2 . . 3.720 2.413 2.169 2.655 . 0 0 "[ . 1 . 2]" 1
793 1 69 MET H 1 69 MET QG . . 3.310 2.380 2.151 2.597 . 0 0 "[ . 1 . 2]" 1
794 1 69 MET H 1 69 MET HG3 . . 3.720 3.650 3.560 3.708 . 0 0 "[ . 1 . 2]" 1
795 1 69 MET HA 1 69 MET HG2 . . 3.720 2.788 2.535 2.921 . 0 0 "[ . 1 . 2]" 1
796 1 69 MET HA 1 69 MET QG . . 3.310 2.700 2.485 2.812 . 0 0 "[ . 1 . 2]" 1
797 1 69 MET HA 1 69 MET HG3 . . 3.720 3.617 3.571 3.665 . 0 0 "[ . 1 . 2]" 1
798 1 69 MET HA 1 72 ASN H . . 3.660 3.423 3.117 3.680 0.020 10 0 "[ . 1 . 2]" 1
799 1 69 MET HA 1 72 ASN HB2 . . 4.380 2.062 1.941 2.291 . 0 0 "[ . 1 . 2]" 1
800 1 69 MET HA 1 72 ASN HB3 . . 4.520 3.577 3.409 3.868 . 0 0 "[ . 1 . 2]" 1
801 1 69 MET HA 1 72 ASN HD21 . . 6.000 4.454 2.096 5.248 . 0 0 "[ . 1 . 2]" 1
802 1 69 MET HA 1 72 ASN HD22 . . 6.000 4.641 3.563 5.270 . 0 0 "[ . 1 . 2]" 1
803 1 69 MET HB2 1 70 MET H . . 3.260 2.926 2.740 3.078 . 0 0 "[ . 1 . 2]" 1
804 1 69 MET HB3 1 69 MET QG . . 2.750 2.358 2.320 2.398 . 0 0 "[ . 1 . 2]" 1
805 1 69 MET HB3 1 70 MET H . . 3.770 3.638 3.427 3.830 0.060 5 0 "[ . 1 . 2]" 1
806 1 70 MET H 1 70 MET HB2 . . 3.100 3.180 2.998 3.367 0.267 11 0 "[ . 1 . 2]" 1
807 1 70 MET H 1 70 MET QB . . 2.870 2.002 1.958 2.044 . 0 0 "[ . 1 . 2]" 1
808 1 70 MET H 1 70 MET HB3 . . 3.100 2.024 1.973 2.078 . 0 0 "[ . 1 . 2]" 1
809 1 70 MET H 1 70 MET ME . . 6.990 5.263 5.129 5.415 . 0 0 "[ . 1 . 2]" 1
810 1 70 MET H 1 71 LEU H . . 3.560 2.721 2.590 2.818 . 0 0 "[ . 1 . 2]" 1
811 1 70 MET H 1 72 ASN H . . 5.840 4.027 3.577 4.319 . 0 0 "[ . 1 . 2]" 1
812 1 70 MET HA 1 70 MET QG . . 4.000 3.069 2.841 3.433 . 0 0 "[ . 1 . 2]" 1
813 1 70 MET HA 1 73 GLU H . . 6.890 4.061 3.479 4.646 . 0 0 "[ . 1 . 2]" 1
814 1 70 MET HA 1 73 GLU HG2 . . 7.200 4.842 2.779 5.903 . 0 0 "[ . 1 . 2]" 1
815 1 70 MET HA 1 73 GLU QG . . 6.620 3.741 2.529 5.236 . 0 0 "[ . 1 . 2]" 1
816 1 70 MET HA 1 73 GLU HG3 . . 7.200 4.125 2.908 6.475 . 0 0 "[ . 1 . 2]" 1
817 1 70 MET HA 1 76 TRP HD1 . . 6.000 4.524 4.096 5.033 . 0 0 "[ . 1 . 2]" 1
818 1 70 MET QB 1 71 LEU H . . 3.680 3.094 2.644 3.391 . 0 0 "[ . 1 . 2]" 1
819 1 70 MET QB 1 71 LEU QD . . 7.750 3.685 3.164 4.051 . 0 0 "[ . 1 . 2]" 1
820 1 70 MET QB 1 71 LEU HG . . 4.370 3.827 3.493 4.094 . 0 0 "[ . 1 . 2]" 1
821 1 70 MET QB 1 76 TRP HE1 . . 6.880 5.524 4.937 6.135 . 0 0 "[ . 1 . 2]" 1
822 1 70 MET HB2 1 71 LEU H . . 4.190 4.151 3.945 4.276 0.086 15 0 "[ . 1 . 2]" 1
823 1 70 MET HB2 1 71 LEU MD1 . . 8.780 5.236 4.267 6.018 . 0 0 "[ . 1 . 2]" 1
824 1 70 MET HB2 1 71 LEU MD2 . . 8.780 5.351 3.888 6.039 . 0 0 "[ . 1 . 2]" 1
825 1 70 MET HB3 1 71 LEU H . . 4.190 3.201 2.686 3.586 . 0 0 "[ . 1 . 2]" 1
826 1 70 MET HB3 1 71 LEU MD1 . . 8.780 4.320 3.301 5.639 . 0 0 "[ . 1 . 2]" 1
827 1 70 MET HB3 1 71 LEU MD2 . . 8.780 5.120 4.364 5.807 . 0 0 "[ . 1 . 2]" 1
828 1 70 MET ME 1 71 LEU H . . 5.970 4.166 3.910 4.358 . 0 0 "[ . 1 . 2]" 1
829 1 70 MET ME 1 71 LEU MD1 . . 7.730 2.143 1.568 2.503 . 0 0 "[ . 1 . 2]" 1
830 1 70 MET ME 1 71 LEU QD . . 7.160 1.670 1.129 2.036 . 0 0 "[ . 1 . 2]" 1
831 1 70 MET ME 1 71 LEU MD2 . . 7.730 1.828 1.132 2.675 . 0 0 "[ . 1 . 2]" 1
832 1 70 MET ME 1 76 TRP HH2 . . 7.030 5.756 5.268 5.968 . 0 0 "[ . 1 . 2]" 1
833 1 70 MET ME 1 76 TRP HZ2 . . 7.030 5.016 4.350 5.676 . 0 0 "[ . 1 . 2]" 1
834 1 70 MET ME 1 87 ALA HA . . 5.080 3.779 3.240 4.309 . 0 0 "[ . 1 . 2]" 1
835 1 70 MET ME 1 90 LEU MD1 . . 7.690 4.605 4.202 4.982 . 0 0 "[ . 1 . 2]" 1
836 1 70 MET QG 1 71 LEU HA . . 4.040 3.077 2.797 3.380 . 0 0 "[ . 1 . 2]" 1
837 1 70 MET QG 1 76 TRP HD1 . . 5.230 4.173 3.564 4.790 . 0 0 "[ . 1 . 2]" 1
838 1 70 MET QG 1 76 TRP HE1 . . 6.880 4.291 3.729 5.431 . 0 0 "[ . 1 . 2]" 1
839 1 71 LEU H 1 71 LEU HB2 . . 3.690 2.480 2.295 2.602 . 0 0 "[ . 1 . 2]" 1
840 1 71 LEU H 1 71 LEU QB . . 3.290 2.441 2.269 2.553 . 0 0 "[ . 1 . 2]" 1
841 1 71 LEU H 1 71 LEU HB3 . . 3.690 3.648 3.564 3.696 0.006 19 0 "[ . 1 . 2]" 1
842 1 71 LEU H 1 71 LEU HG . . 3.230 2.796 2.551 3.010 . 0 0 "[ . 1 . 2]" 1
843 1 71 LEU H 1 72 ASN H . . 3.560 2.621 2.430 2.853 . 0 0 "[ . 1 . 2]" 1
844 1 71 LEU HA 1 73 GLU H . . 3.860 3.534 3.359 3.702 . 0 0 "[ . 1 . 2]" 1
845 1 71 LEU HA 1 76 TRP HB2 . . 3.720 2.497 2.201 3.196 . 0 0 "[ . 1 . 2]" 1
846 1 71 LEU HA 1 76 TRP HB3 . . 4.550 2.400 1.989 2.800 . 0 0 "[ . 1 . 2]" 1
847 1 71 LEU HA 1 76 TRP HD1 . . 4.050 3.098 2.495 4.019 . 0 0 "[ . 1 . 2]" 1
848 1 71 LEU QB 1 72 ASN H . . 4.450 3.694 3.527 3.817 . 0 0 "[ . 1 . 2]" 1
849 1 71 LEU QB 1 80 ARG QD . . 7.690 2.080 1.769 3.893 . 0 0 "[ . 1 . 2]" 1
850 1 71 LEU QB 1 83 VAL MG2 . . 5.400 3.557 3.136 4.011 . 0 0 "[ . 1 . 2]" 1
851 1 71 LEU HB2 1 72 ASN H . . 4.980 3.953 3.717 4.166 . 0 0 "[ . 1 . 2]" 1
852 1 71 LEU HB3 1 72 ASN H . . 4.980 4.445 4.386 4.504 . 0 0 "[ . 1 . 2]" 1
853 1 71 LEU QD 1 76 TRP HA . . 8.600 4.641 3.923 6.255 . 0 0 "[ . 1 . 2]" 1
854 1 71 LEU QD 1 76 TRP HB2 . . 8.100 4.024 3.310 5.339 . 0 0 "[ . 1 . 2]" 1
855 1 71 LEU QD 1 76 TRP HB3 . . 7.740 3.100 2.311 4.613 . 0 0 "[ . 1 . 2]" 1
856 1 71 LEU QD 1 76 TRP HD1 . . 8.600 4.207 3.193 5.734 . 0 0 "[ . 1 . 2]" 1
857 1 71 LEU QD 1 76 TRP HZ2 . . 8.600 4.872 3.587 5.988 . 0 0 "[ . 1 . 2]" 1
858 1 71 LEU QD 1 79 MET ME . . 8.800 4.873 4.087 5.384 . 0 0 "[ . 1 . 2]" 1
859 1 71 LEU QD 1 80 ARG QB . . 7.580 2.606 1.687 4.285 . 0 0 "[ . 1 . 2]" 1
860 1 71 LEU QD 1 83 VAL MG1 . . 9.630 3.735 2.960 4.443 . 0 0 "[ . 1 . 2]" 1
861 1 71 LEU QD 1 84 MET H . . 8.600 3.668 3.296 4.170 . 0 0 "[ . 1 . 2]" 1
862 1 71 LEU QD 1 84 MET HA . . 6.100 2.379 1.898 2.957 . 0 0 "[ . 1 . 2]" 1
863 1 71 LEU QD 1 84 MET ME . . 9.630 4.063 1.633 5.502 . 0 0 "[ . 1 . 2]" 1
864 1 71 LEU QD 1 84 MET QG . . 9.480 2.642 1.683 4.288 . 0 0 "[ . 1 . 2]" 1
865 1 71 LEU MD1 1 80 ARG HB2 . . 8.780 4.276 1.842 6.428 . 0 0 "[ . 1 . 2]" 1
866 1 71 LEU MD1 1 80 ARG HB3 . . 8.780 4.988 2.919 6.641 . 0 0 "[ . 1 . 2]" 1
867 1 71 LEU MD1 1 80 ARG QD . . 7.900 3.540 2.485 5.413 . 0 0 "[ . 1 . 2]" 1
868 1 71 LEU MD1 1 80 ARG QG . . 7.900 4.356 2.249 5.618 . 0 0 "[ . 1 . 2]" 1
869 1 71 LEU MD1 1 84 MET HA . . 7.030 2.915 2.050 4.383 . 0 0 "[ . 1 . 2]" 1
870 1 71 LEU MD1 1 87 ALA H . . 7.030 4.388 3.537 5.361 . 0 0 "[ . 1 . 2]" 1
871 1 71 LEU MD2 1 80 ARG HB2 . . 8.780 3.077 1.745 5.742 . 0 0 "[ . 1 . 2]" 1
872 1 71 LEU MD2 1 80 ARG HB3 . . 8.780 3.644 2.275 5.276 . 0 0 "[ . 1 . 2]" 1
873 1 71 LEU MD2 1 80 ARG QD . . 7.900 3.116 1.645 4.448 . 0 0 "[ . 1 . 2]" 1
874 1 71 LEU MD2 1 80 ARG QG . . 7.900 3.516 1.806 4.767 . 0 0 "[ . 1 . 2]" 1
875 1 71 LEU MD2 1 84 MET HA . . 7.030 3.262 1.912 5.474 . 0 0 "[ . 1 . 2]" 1
876 1 71 LEU MD2 1 87 ALA H . . 7.030 4.421 3.225 5.717 . 0 0 "[ . 1 . 2]" 1
877 1 71 LEU HG 1 76 TRP HE1 . . 6.000 5.777 4.914 6.068 0.068 13 0 "[ . 1 . 2]" 1
878 1 72 ASN H 1 72 ASN HB2 . . 2.900 2.516 2.382 2.708 . 0 0 "[ . 1 . 2]" 1
879 1 72 ASN H 1 72 ASN HB3 . . 3.690 3.693 3.620 3.802 0.112 20 0 "[ . 1 . 2]" 1
880 1 72 ASN H 1 73 GLU H . . 3.030 1.968 1.876 2.142 . 0 0 "[ . 1 . 2]" 1
881 1 72 ASN HA 1 72 ASN HB3 . . 2.930 2.502 2.412 2.533 . 0 0 "[ . 1 . 2]" 1
882 1 72 ASN HA 1 77 ILE MD . . 4.950 4.073 3.899 4.245 . 0 0 "[ . 1 . 2]" 1
883 1 72 ASN HA 1 77 ILE MG . . 7.030 5.709 5.456 5.844 . 0 0 "[ . 1 . 2]" 1
884 1 72 ASN HA 1 80 ARG QD . . 6.880 4.381 3.841 6.223 . 0 0 "[ . 1 . 2]" 1
885 1 72 ASN HA 1 80 ARG HE . . 6.000 5.349 3.783 6.132 0.132 17 0 "[ . 1 . 2]" 1
886 1 72 ASN HB2 1 73 GLU H . . 4.940 3.575 3.327 3.825 . 0 0 "[ . 1 . 2]" 1
887 1 72 ASN HB3 1 73 GLU H . . 4.710 4.236 4.093 4.422 . 0 0 "[ . 1 . 2]" 1
888 1 72 ASN QD 1 73 GLU H . . 6.870 5.102 4.124 5.841 . 0 0 "[ . 1 . 2]" 1
889 1 72 ASN QD 1 80 ARG QD . . 6.890 4.650 3.793 5.560 . 0 0 "[ . 1 . 2]" 1
890 1 73 GLU H 1 73 GLU HB2 . . 3.690 2.475 2.001 3.533 . 0 0 "[ . 1 . 2]" 1
891 1 73 GLU H 1 73 GLU QB . . 3.270 2.176 1.983 2.851 . 0 0 "[ . 1 . 2]" 1
892 1 73 GLU H 1 73 GLU HB3 . . 3.690 3.097 2.126 3.555 . 0 0 "[ . 1 . 2]" 1
893 1 73 GLU H 1 73 GLU HG2 . . 4.710 3.515 2.221 4.346 . 0 0 "[ . 1 . 2]" 1
894 1 73 GLU H 1 73 GLU QG . . 3.860 2.999 1.911 3.477 . 0 0 "[ . 1 . 2]" 1
895 1 73 GLU H 1 73 GLU HG3 . . 4.710 3.447 2.084 4.093 . 0 0 "[ . 1 . 2]" 1
896 1 73 GLU H 1 75 MET H . . 4.050 4.157 3.877 4.251 0.201 4 0 "[ . 1 . 2]" 1
897 1 73 GLU H 1 76 TRP HB3 . . 6.000 4.419 3.750 4.803 . 0 0 "[ . 1 . 2]" 1
898 1 73 GLU H 1 76 TRP HD1 . . 5.270 3.172 2.618 3.755 . 0 0 "[ . 1 . 2]" 1
899 1 73 GLU HA 1 74 PRO HD2 . . 3.760 3.081 2.949 3.222 . 0 0 "[ . 1 . 2]" 1
900 1 73 GLU HA 1 74 PRO QD . . 3.420 2.264 2.154 2.400 . 0 0 "[ . 1 . 2]" 1
901 1 73 GLU HA 1 74 PRO HD3 . . 3.760 2.330 2.211 2.480 . 0 0 "[ . 1 . 2]" 1
902 1 75 MET H 1 75 MET QG . . 4.980 4.157 3.848 4.315 . 0 0 "[ . 1 . 2]" 1
903 1 75 MET H 1 76 TRP H . . 3.640 1.852 1.739 2.002 . 0 0 "[ . 1 . 2]" 1
904 1 75 MET QB 1 76 TRP HD1 . . 5.840 3.463 3.030 4.023 . 0 0 "[ . 1 . 2]" 1
905 1 75 MET QB 1 76 TRP HE1 . . 6.880 3.606 3.110 4.391 . 0 0 "[ . 1 . 2]" 1
906 1 75 MET QB 1 76 TRP HE3 . . 6.880 5.503 4.938 5.918 . 0 0 "[ . 1 . 2]" 1
907 1 75 MET HB2 1 76 TRP H . . 5.660 4.372 3.901 4.509 . 0 0 "[ . 1 . 2]" 1
908 1 75 MET HB2 1 76 TRP HD1 . . 6.000 4.659 4.081 5.330 . 0 0 "[ . 1 . 2]" 1
909 1 75 MET HB3 1 76 TRP H . . 5.660 4.070 3.854 4.257 . 0 0 "[ . 1 . 2]" 1
910 1 75 MET HB3 1 76 TRP HD1 . . 6.000 3.605 3.073 4.272 . 0 0 "[ . 1 . 2]" 1
911 1 75 MET QG 1 76 TRP H . . 7.240 4.572 4.392 4.875 . 0 0 "[ . 1 . 2]" 1
912 1 75 MET QG 1 76 TRP HD1 . . 6.880 5.262 4.371 6.110 . 0 0 "[ . 1 . 2]" 1
913 1 76 TRP H 1 76 TRP HB2 . . 3.720 2.906 2.505 3.033 . 0 0 "[ . 1 . 2]" 1
914 1 76 TRP H 1 77 ILE H . . 3.450 3.400 2.827 3.823 0.373 20 0 "[ . 1 . 2]" 1
915 1 76 TRP H 1 77 ILE HA . . 4.930 4.364 4.087 4.622 . 0 0 "[ . 1 . 2]" 1
916 1 76 TRP H 1 77 ILE HB . . 5.770 4.814 4.325 5.744 . 0 0 "[ . 1 . 2]" 1
917 1 76 TRP H 1 77 ILE QG . . 7.240 3.499 2.907 4.163 . 0 0 "[ . 1 . 2]" 1
918 1 76 TRP H 1 77 ILE MG . . 7.310 5.165 4.792 5.422 . 0 0 "[ . 1 . 2]" 1
919 1 76 TRP HA 1 76 TRP HE3 . . 3.480 2.312 2.102 2.720 . 0 0 "[ . 1 . 2]" 1
920 1 76 TRP HA 1 76 TRP HZ3 . . 6.000 4.524 4.326 4.818 . 0 0 "[ . 1 . 2]" 1
921 1 76 TRP HA 1 78 ARG H . . 6.000 5.672 4.927 6.206 0.206 16 0 "[ . 1 . 2]" 1
922 1 76 TRP HA 1 79 MET H . . 5.270 4.746 3.848 5.438 0.168 20 0 "[ . 1 . 2]" 1
923 1 76 TRP HA 1 79 MET ME . . 7.030 1.898 1.403 2.799 . 0 0 "[ . 1 . 2]" 1
924 1 76 TRP HB2 1 76 TRP HD1 . . 3.820 2.561 2.517 2.602 . 0 0 "[ . 1 . 2]" 1
925 1 76 TRP HB2 1 77 ILE H . . 4.760 4.529 4.474 4.595 . 0 0 "[ . 1 . 2]" 1
926 1 76 TRP HB3 1 77 ILE H . . 6.230 4.102 3.940 4.311 . 0 0 "[ . 1 . 2]" 1
927 1 76 TRP HB3 1 79 MET ME . . 5.710 3.917 3.192 4.548 . 0 0 "[ . 1 . 2]" 1
928 1 76 TRP HE3 1 79 MET H . . 6.300 5.389 4.675 6.036 . 0 0 "[ . 1 . 2]" 1
929 1 76 TRP HE3 1 79 MET QB . . 4.790 4.119 3.726 4.314 . 0 0 "[ . 1 . 2]" 1
930 1 76 TRP HE3 1 79 MET ME . . 5.060 2.364 1.929 3.199 . 0 0 "[ . 1 . 2]" 1
931 1 76 TRP HE3 1 80 ARG H . . 5.700 3.508 3.371 3.692 . 0 0 "[ . 1 . 2]" 1
932 1 76 TRP HE3 1 80 ARG HA . . 4.680 2.757 2.414 3.376 . 0 0 "[ . 1 . 2]" 1
933 1 76 TRP HE3 1 80 ARG QB . . 5.730 2.382 1.975 4.064 . 0 0 "[ . 1 . 2]" 1
934 1 76 TRP HE3 1 80 ARG QD . . 6.120 4.454 2.317 4.971 . 0 0 "[ . 1 . 2]" 1
935 1 76 TRP HE3 1 83 VAL MG1 . . 6.800 3.044 2.572 3.248 . 0 0 "[ . 1 . 2]" 1
936 1 76 TRP HZ2 1 83 VAL MG1 . . 7.030 4.970 4.559 5.682 . 0 0 "[ . 1 . 2]" 1
937 1 76 TRP HZ2 1 83 VAL MG2 . . 5.810 4.609 4.303 4.706 . 0 0 "[ . 1 . 2]" 1
938 1 76 TRP HZ3 1 79 MET ME . . 7.030 2.857 2.176 3.921 . 0 0 "[ . 1 . 2]" 1
939 1 76 TRP HZ3 1 80 ARG HB2 . . 5.800 5.035 4.180 5.933 0.133 10 0 "[ . 1 . 2]" 1
940 1 76 TRP HZ3 1 80 ARG QB . . 5.460 4.254 4.010 4.937 . 0 0 "[ . 1 . 2]" 1
941 1 76 TRP HZ3 1 80 ARG HB3 . . 5.800 4.824 4.178 5.930 0.130 14 0 "[ . 1 . 2]" 1
942 1 76 TRP HZ3 1 83 VAL H . . 6.000 4.723 4.347 5.146 . 0 0 "[ . 1 . 2]" 1
943 1 76 TRP HZ3 1 83 VAL MG1 . . 5.440 1.612 1.418 1.867 . 0 0 "[ . 1 . 2]" 1
944 1 76 TRP HZ3 1 83 VAL MG2 . . 6.330 2.771 2.151 3.508 . 0 0 "[ . 1 . 2]" 1
945 1 77 ILE H 1 77 ILE HB . . 3.110 2.771 2.398 2.987 . 0 0 "[ . 1 . 2]" 1
946 1 77 ILE H 1 77 ILE HG12 . . 5.680 3.441 2.273 4.736 . 0 0 "[ . 1 . 2]" 1
947 1 77 ILE H 1 77 ILE QG . . 4.900 3.133 2.257 3.988 . 0 0 "[ . 1 . 2]" 1
948 1 77 ILE H 1 77 ILE HG13 . . 5.680 4.121 3.817 4.391 . 0 0 "[ . 1 . 2]" 1
949 1 77 ILE H 1 78 ARG H . . 3.660 3.466 2.711 4.044 0.384 16 0 "[ . 1 . 2]" 1
950 1 77 ILE HA 1 77 ILE HB . . 2.830 2.971 2.950 2.989 0.159 18 0 "[ . 1 . 2]" 1
951 1 77 ILE HA 1 77 ILE MD . . 4.680 2.459 2.075 2.936 . 0 0 "[ . 1 . 2]" 1
952 1 77 ILE HA 1 77 ILE QG . . 3.540 2.838 2.320 3.269 . 0 0 "[ . 1 . 2]" 1
953 1 77 ILE HA 1 78 ARG QD . . 6.880 5.148 4.079 6.170 . 0 0 "[ . 1 . 2]" 1
954 1 77 ILE HA 1 80 ARG H . . 4.420 4.371 3.902 4.529 0.109 8 0 "[ . 1 . 2]" 1
955 1 77 ILE MD 1 78 ARG QD . . 7.280 5.319 5.009 5.520 . 0 0 "[ . 1 . 2]" 1
956 1 77 ILE MD 1 79 MET ME . . 5.880 3.918 3.793 4.102 . 0 0 "[ . 1 . 2]" 1
957 1 77 ILE MD 1 79 MET QG . . 5.500 4.083 3.672 4.318 . 0 0 "[ . 1 . 2]" 1
958 1 77 ILE MG 1 78 ARG H . . 4.390 1.840 1.578 2.250 . 0 0 "[ . 1 . 2]" 1
959 1 77 ILE MG 1 78 ARG QD . . 7.900 2.686 2.006 3.243 . 0 0 "[ . 1 . 2]" 1
960 1 77 ILE MG 1 78 ARG QG . . 5.930 2.841 1.738 3.647 . 0 0 "[ . 1 . 2]" 1
961 1 77 ILE MG 1 79 MET H . . 7.030 4.103 3.933 4.362 . 0 0 "[ . 1 . 2]" 1
962 1 77 ILE MG 1 79 MET QG . . 7.080 4.238 4.002 4.488 . 0 0 "[ . 1 . 2]" 1
963 1 77 ILE MG 1 80 ARG H . . 7.030 5.050 4.673 5.336 . 0 0 "[ . 1 . 2]" 1
964 1 78 ARG H 1 78 ARG HB2 . . 3.650 2.929 2.148 3.674 0.024 11 0 "[ . 1 . 2]" 1
965 1 78 ARG H 1 78 ARG HB3 . . 3.650 3.122 2.417 3.683 0.033 15 0 "[ . 1 . 2]" 1
966 1 78 ARG H 1 79 MET H . . 3.060 2.674 2.050 3.018 . 0 0 "[ . 1 . 2]" 1
967 1 78 ARG H 1 80 ARG H . . 6.000 4.180 3.474 4.634 . 0 0 "[ . 1 . 2]" 1
968 1 78 ARG HA 1 78 ARG QG . . 3.640 2.874 1.993 3.328 . 0 0 "[ . 1 . 2]" 1
969 1 78 ARG HA 1 79 MET H . . 3.530 3.337 3.014 3.569 0.039 20 0 "[ . 1 . 2]" 1
970 1 78 ARG HA 1 80 ARG H . . 4.090 4.072 3.691 4.365 0.275 16 0 "[ . 1 . 2]" 1
971 1 78 ARG HA 1 81 ASP H . . 6.000 3.582 3.055 3.887 . 0 0 "[ . 1 . 2]" 1
972 1 78 ARG QB 1 78 ARG HE . . 4.670 3.109 2.008 4.200 . 0 0 "[ . 1 . 2]" 1
973 1 78 ARG QG 1 79 MET H . . 6.880 3.463 1.755 4.594 . 0 0 "[ . 1 . 2]" 1
974 1 78 ARG QG 1 79 MET HA . . 6.880 4.791 3.254 6.030 . 0 0 "[ . 1 . 2]" 1
975 1 78 ARG QG 1 79 MET QG . . 7.720 4.056 2.503 5.691 . 0 0 "[ . 1 . 2]" 1
976 1 79 MET H 1 79 MET HB2 . . 3.490 3.489 3.313 3.572 0.082 7 0 "[ . 1 . 2]" 1
977 1 79 MET H 1 79 MET QB . . 3.250 2.854 2.565 3.090 . 0 0 "[ . 1 . 2]" 1
978 1 79 MET H 1 79 MET HB3 . . 3.490 3.069 2.629 3.670 0.180 19 0 "[ . 1 . 2]" 1
979 1 79 MET H 1 79 MET HG2 . . 4.790 2.119 1.858 3.740 . 0 0 "[ . 1 . 2]" 1
980 1 79 MET H 1 79 MET QG . . 4.400 1.885 1.761 2.214 . 0 0 "[ . 1 . 2]" 1
981 1 79 MET H 1 79 MET HG3 . . 4.790 2.323 1.928 3.567 . 0 0 "[ . 1 . 2]" 1
982 1 79 MET H 1 80 ARG H . . 2.930 2.420 1.691 2.970 0.040 20 0 "[ . 1 . 2]" 1
983 1 79 MET HA 1 81 ASP H . . 4.940 3.789 3.299 4.495 . 0 0 "[ . 1 . 2]" 1
984 1 79 MET HA 1 82 GLN H . . 4.710 4.286 4.064 4.674 . 0 0 "[ . 1 . 2]" 1
985 1 79 MET HA 1 82 GLN QE . . 6.870 5.131 2.037 6.184 . 0 0 "[ . 1 . 2]" 1
986 1 79 MET QB 1 80 ARG H . . 4.010 3.304 2.971 3.541 . 0 0 "[ . 1 . 2]" 1
987 1 79 MET ME 1 80 ARG QG . . 5.960 4.304 3.986 4.535 . 0 0 "[ . 1 . 2]" 1
988 1 79 MET QG 1 80 ARG H . . 6.880 2.265 1.886 3.564 . 0 0 "[ . 1 . 2]" 1
989 1 79 MET QG 1 81 ASP H . . 6.880 4.534 4.330 5.223 . 0 0 "[ . 1 . 2]" 1
990 1 80 ARG H 1 80 ARG HB2 . . 3.470 3.258 2.420 3.641 0.171 2 0 "[ . 1 . 2]" 1
991 1 80 ARG H 1 80 ARG HB3 . . 3.470 2.681 2.121 3.572 0.102 7 0 "[ . 1 . 2]" 1
992 1 80 ARG H 1 81 ASP H . . 3.920 2.750 2.411 2.924 . 0 0 "[ . 1 . 2]" 1
993 1 80 ARG HA 1 83 VAL MG1 . . 5.840 2.005 1.445 2.400 . 0 0 "[ . 1 . 2]" 1
994 1 80 ARG HA 1 83 VAL MG2 . . 3.760 1.968 1.467 3.076 . 0 0 "[ . 1 . 2]" 1
995 1 80 ARG HA 1 84 MET ME . . 6.630 5.257 4.719 5.562 . 0 0 "[ . 1 . 2]" 1
996 1 80 ARG QB 1 81 ASP H . . 3.770 3.428 2.567 3.715 . 0 0 "[ . 1 . 2]" 1
997 1 80 ARG QB 1 83 VAL MG1 . . 5.200 3.486 2.997 3.699 . 0 0 "[ . 1 . 2]" 1
998 1 80 ARG QB 1 83 VAL MG2 . . 5.140 2.433 1.866 3.746 . 0 0 "[ . 1 . 2]" 1
999 1 80 ARG QB 1 84 MET HA . . 5.490 4.362 3.314 5.123 . 0 0 "[ . 1 . 2]" 1
1000 1 80 ARG HB2 1 81 ASP H . . 4.320 3.985 3.197 4.294 . 0 0 "[ . 1 . 2]" 1
1001 1 80 ARG HB3 1 81 ASP H . . 4.320 3.913 2.603 4.382 0.062 2 0 "[ . 1 . 2]" 1
1002 1 80 ARG QD 1 81 ASP H . . 6.880 4.220 2.197 5.724 . 0 0 "[ . 1 . 2]" 1
1003 1 80 ARG QD 1 83 VAL MG2 . . 7.900 3.558 1.598 4.092 . 0 0 "[ . 1 . 2]" 1
1004 1 80 ARG QD 1 84 MET QB . . 6.400 3.681 2.306 4.905 . 0 0 "[ . 1 . 2]" 1
1005 1 80 ARG HE 1 81 ASP H . . 6.000 4.789 3.746 6.202 0.202 20 0 "[ . 1 . 2]" 1
1006 1 80 ARG QG 1 81 ASP H . . 6.220 2.835 2.053 4.370 . 0 0 "[ . 1 . 2]" 1
1007 1 80 ARG QG 1 81 ASP QB . . 7.760 4.237 3.481 5.767 . 0 0 "[ . 1 . 2]" 1
1008 1 80 ARG QG 1 83 VAL MG2 . . 4.870 3.219 1.775 3.823 . 0 0 "[ . 1 . 2]" 1
1009 1 80 ARG QG 1 84 MET QB . . 6.400 3.941 2.251 4.827 . 0 0 "[ . 1 . 2]" 1
1010 1 81 ASP H 1 81 ASP HA . . 2.900 2.696 2.578 2.798 . 0 0 "[ . 1 . 2]" 1
1011 1 81 ASP H 1 81 ASP HB2 . . 3.260 2.098 1.994 2.333 . 0 0 "[ . 1 . 2]" 1
1012 1 81 ASP H 1 81 ASP QB . . 2.860 2.062 1.973 2.253 . 0 0 "[ . 1 . 2]" 1
1013 1 81 ASP H 1 81 ASP HB3 . . 3.260 3.104 2.748 3.335 0.075 17 0 "[ . 1 . 2]" 1
1014 1 81 ASP H 1 82 GLN H . . 3.550 3.009 2.702 3.382 . 0 0 "[ . 1 . 2]" 1
1015 1 81 ASP H 1 82 GLN QB . . 6.140 4.856 4.530 5.344 . 0 0 "[ . 1 . 2]" 1
1016 1 81 ASP H 1 82 GLN QG . . 7.980 5.948 3.933 6.704 . 0 0 "[ . 1 . 2]" 1
1017 1 81 ASP H 1 83 VAL H . . 5.410 4.672 4.102 5.501 0.091 10 0 "[ . 1 . 2]" 1
1018 1 81 ASP HA 1 84 MET H . . 5.010 4.095 3.734 4.745 . 0 0 "[ . 1 . 2]" 1
1019 1 81 ASP HA 1 84 MET QB . . 4.640 2.831 2.365 3.403 . 0 0 "[ . 1 . 2]" 1
1020 1 81 ASP QB 1 82 GLN H . . 3.340 2.523 1.984 2.888 . 0 0 "[ . 1 . 2]" 1
1021 1 81 ASP HB2 1 82 GLN H . . 3.690 3.399 2.981 3.677 . 0 0 "[ . 1 . 2]" 1
1022 1 81 ASP HB3 1 82 GLN H . . 3.690 2.617 1.996 3.093 . 0 0 "[ . 1 . 2]" 1
1023 1 82 GLN H 1 82 GLN HA . . 2.800 2.891 2.831 2.953 0.153 9 0 "[ . 1 . 2]" 1
1024 1 82 GLN H 1 82 GLN QB . . 3.610 2.220 2.014 2.607 . 0 0 "[ . 1 . 2]" 1
1025 1 82 GLN H 1 82 GLN QG . . 4.830 3.431 2.059 4.040 . 0 0 "[ . 1 . 2]" 1
1026 1 82 GLN H 1 83 VAL H . . 2.930 2.628 2.183 3.077 0.147 20 0 "[ . 1 . 2]" 1
1027 1 82 GLN H 1 83 VAL MG1 . . 5.080 3.430 3.146 3.661 . 0 0 "[ . 1 . 2]" 1
1028 1 82 GLN H 1 83 VAL MG2 . . 6.500 4.467 4.013 5.285 . 0 0 "[ . 1 . 2]" 1
1029 1 82 GLN H 1 84 MET H . . 4.220 3.744 3.441 4.026 . 0 0 "[ . 1 . 2]" 1
1030 1 82 GLN HA 1 83 VAL MG1 . . 7.030 4.668 4.475 4.907 . 0 0 "[ . 1 . 2]" 1
1031 1 82 GLN HA 1 84 MET H . . 6.000 3.826 3.513 4.517 . 0 0 "[ . 1 . 2]" 1
1032 1 82 GLN HA 1 85 SER H . . 6.000 3.734 3.555 4.023 . 0 0 "[ . 1 . 2]" 1
1033 1 82 GLN QB 1 83 VAL H . . 4.370 2.342 1.923 2.920 . 0 0 "[ . 1 . 2]" 1
1034 1 82 GLN QB 1 83 VAL MG1 . . 5.000 2.947 2.820 3.074 . 0 0 "[ . 1 . 2]" 1
1035 1 82 GLN QE 1 83 VAL MG1 . . 7.900 5.302 4.278 5.801 . 0 0 "[ . 1 . 2]" 1
1036 1 82 GLN QG 1 83 VAL H . . 6.020 4.011 3.511 4.445 . 0 0 "[ . 1 . 2]" 1
1037 1 83 VAL H 1 83 VAL HB . . 3.590 3.414 2.973 3.677 0.087 9 0 "[ . 1 . 2]" 1
1038 1 83 VAL H 1 83 VAL MG1 . . 4.450 1.735 1.664 1.963 . 0 0 "[ . 1 . 2]" 1
1039 1 83 VAL H 1 83 VAL MG2 . . 4.220 2.930 2.521 3.719 . 0 0 "[ . 1 . 2]" 1
1040 1 83 VAL H 1 84 MET H . . 3.160 2.843 2.531 3.381 0.221 7 0 "[ . 1 . 2]" 1
1041 1 83 VAL HA 1 83 VAL HB . . 2.960 2.242 2.173 2.288 . 0 0 "[ . 1 . 2]" 1
1042 1 83 VAL HA 1 85 SER H . . 6.000 4.595 3.597 5.120 . 0 0 "[ . 1 . 2]" 1
1043 1 83 VAL HA 1 86 MET H . . 4.380 3.638 3.287 4.431 0.051 20 0 "[ . 1 . 2]" 1
1044 1 83 VAL HB 1 87 ALA MB . . 6.270 3.754 3.233 4.919 . 0 0 "[ . 1 . 2]" 1
1045 1 83 VAL MG1 1 84 MET H . . 6.240 3.443 2.269 3.988 . 0 0 "[ . 1 . 2]" 1
1046 1 83 VAL MG1 1 84 MET QG . . 7.450 5.294 4.853 5.544 . 0 0 "[ . 1 . 2]" 1
1047 1 83 VAL MG1 1 86 MET QG . . 7.410 4.583 4.045 5.349 . 0 0 "[ . 1 . 2]" 1
1048 1 83 VAL MG2 1 84 MET H . . 5.180 2.788 2.290 3.368 . 0 0 "[ . 1 . 2]" 1
1049 1 83 VAL MG2 1 84 MET QB . . 5.530 3.780 3.573 3.917 . 0 0 "[ . 1 . 2]" 1
1050 1 83 VAL MG2 1 85 SER H . . 7.030 4.902 4.334 5.242 . 0 0 "[ . 1 . 2]" 1
1051 1 83 VAL MG2 1 86 MET QG . . 6.920 5.147 4.468 5.251 . 0 0 "[ . 1 . 2]" 1
1052 1 83 VAL MG2 1 87 ALA H . . 7.030 3.759 3.024 4.242 . 0 0 "[ . 1 . 2]" 1
1053 1 83 VAL MG2 1 87 ALA MB . . 6.240 2.794 2.030 3.218 . 0 0 "[ . 1 . 2]" 1
1054 1 84 MET H 1 84 MET HB2 . . 3.490 2.169 1.994 3.600 0.110 9 0 "[ . 1 . 2]" 1
1055 1 84 MET H 1 84 MET QB . . 3.330 2.083 1.974 2.626 . 0 0 "[ . 1 . 2]" 1
1056 1 84 MET H 1 84 MET HB3 . . 3.490 3.125 2.562 3.425 . 0 0 "[ . 1 . 2]" 1
1057 1 84 MET H 1 84 MET HG2 . . 4.790 3.989 2.102 4.434 . 0 0 "[ . 1 . 2]" 1
1058 1 84 MET H 1 84 MET QG . . 4.070 3.353 2.068 3.919 . 0 0 "[ . 1 . 2]" 1
1059 1 84 MET H 1 84 MET HG3 . . 4.790 3.690 2.956 4.367 . 0 0 "[ . 1 . 2]" 1
1060 1 84 MET H 1 85 SER H . . 3.820 2.772 2.196 3.432 . 0 0 "[ . 1 . 2]" 1
1061 1 84 MET H 1 85 SER QB . . 5.520 4.561 4.072 5.146 . 0 0 "[ . 1 . 2]" 1
1062 1 84 MET H 1 87 ALA H . . 6.000 4.470 4.027 5.029 . 0 0 "[ . 1 . 2]" 1
1063 1 84 MET HA 1 84 MET QG . . 3.840 2.210 2.019 3.368 . 0 0 "[ . 1 . 2]" 1
1064 1 84 MET HA 1 86 MET H . . 4.910 3.727 3.517 4.550 . 0 0 "[ . 1 . 2]" 1
1065 1 84 MET HA 1 87 ALA H . . 4.420 3.612 3.092 4.037 . 0 0 "[ . 1 . 2]" 1
1066 1 84 MET HA 1 87 ALA MB . . 4.680 3.210 2.193 3.676 . 0 0 "[ . 1 . 2]" 1
1067 1 84 MET QB 1 85 SER H . . 3.500 2.355 1.861 3.228 . 0 0 "[ . 1 . 2]" 1
1068 1 84 MET HB2 1 85 SER H . . 3.690 3.021 2.329 3.621 . 0 0 "[ . 1 . 2]" 1
1069 1 84 MET HB3 1 85 SER H . . 3.690 2.549 1.876 3.688 . 0 0 "[ . 1 . 2]" 1
1070 1 85 SER H 1 86 MET H . . 3.260 2.870 2.469 3.413 0.153 18 0 "[ . 1 . 2]" 1
1071 1 85 SER H 1 86 MET QG . . 6.880 4.136 3.532 4.423 . 0 0 "[ . 1 . 2]" 1
1072 1 85 SER H 1 87 ALA H . . 5.310 4.494 4.122 4.818 . 0 0 "[ . 1 . 2]" 1
1073 1 85 SER HA 1 87 ALA H . . 5.870 4.667 4.450 4.988 . 0 0 "[ . 1 . 2]" 1
1074 1 85 SER HA 1 88 HIS HB2 . . 6.000 4.304 2.196 5.047 . 0 0 "[ . 1 . 2]" 1
1075 1 85 SER HA 1 88 HIS QB . . 5.410 3.251 2.124 3.997 . 0 0 "[ . 1 . 2]" 1
1076 1 85 SER HA 1 88 HIS HB3 . . 6.000 3.563 2.705 5.453 . 0 0 "[ . 1 . 2]" 1
1077 1 85 SER HA 1 88 HIS HD2 . . 6.000 3.796 2.769 5.590 . 0 0 "[ . 1 . 2]" 1
1078 1 85 SER HA 1 88 HIS HE1 . . 6.000 4.268 2.845 5.595 . 0 0 "[ . 1 . 2]" 1
1079 1 85 SER QB 1 88 HIS HE1 . . 6.880 5.124 3.909 6.125 . 0 0 "[ . 1 . 2]" 1
1080 1 86 MET H 1 86 MET HB2 . . 3.630 2.480 2.204 2.803 . 0 0 "[ . 1 . 2]" 1
1081 1 86 MET H 1 86 MET HB3 . . 3.600 3.630 3.498 3.744 0.144 20 0 "[ . 1 . 2]" 1
1082 1 86 MET H 1 86 MET QG . . 4.510 3.040 2.092 3.728 . 0 0 "[ . 1 . 2]" 1
1083 1 86 MET H 1 87 ALA H . . 3.260 2.078 1.857 2.637 . 0 0 "[ . 1 . 2]" 1
1084 1 86 MET H 1 88 HIS H . . 5.010 3.214 2.489 3.978 . 0 0 "[ . 1 . 2]" 1
1085 1 86 MET HA 1 86 MET HB2 . . 3.000 2.977 2.949 2.997 . 0 0 "[ . 1 . 2]" 1
1086 1 86 MET HA 1 89 ASN HB3 . . 6.000 5.442 4.586 6.030 0.030 1 0 "[ . 1 . 2]" 1
1087 1 86 MET HB2 1 87 ALA H . . 3.660 2.607 2.440 2.751 . 0 0 "[ . 1 . 2]" 1
1088 1 86 MET HB3 1 87 ALA H . . 3.920 3.403 3.086 3.791 . 0 0 "[ . 1 . 2]" 1
1089 1 86 MET QG 1 87 ALA H . . 6.880 4.147 3.873 4.335 . 0 0 "[ . 1 . 2]" 1
1090 1 87 ALA H 1 88 HIS H . . 3.530 2.723 2.537 2.939 . 0 0 "[ . 1 . 2]" 1
1091 1 87 ALA H 1 89 ASN H . . 5.600 4.430 4.035 4.721 . 0 0 "[ . 1 . 2]" 1
1092 1 87 ALA HA 1 89 ASN H . . 4.750 3.842 3.652 3.979 . 0 0 "[ . 1 . 2]" 1
1093 1 87 ALA HA 1 90 LEU MD1 . . 5.860 2.476 2.220 2.907 . 0 0 "[ . 1 . 2]" 1
1094 1 87 ALA HA 1 90 LEU MD2 . . 7.620 4.624 4.422 4.819 . 0 0 "[ . 1 . 2]" 1
1095 1 87 ALA HA 1 90 LEU HG . . 4.650 3.876 3.539 4.069 . 0 0 "[ . 1 . 2]" 1
1096 1 87 ALA HA 1 91 PRO HD2 . . 6.000 3.649 3.510 3.748 . 0 0 "[ . 1 . 2]" 1
1097 1 87 ALA HA 1 91 PRO HD3 . . 6.000 2.442 2.272 2.601 . 0 0 "[ . 1 . 2]" 1
1098 1 87 ALA HA 1 92 ILE H . . 5.740 5.793 5.686 5.901 0.161 17 0 "[ . 1 . 2]" 1
1099 1 87 ALA MB 1 88 HIS HD2 . . 7.030 4.760 2.658 5.733 . 0 0 "[ . 1 . 2]" 1
1100 1 87 ALA MB 1 89 ASN H . . 6.900 4.762 4.502 4.939 . 0 0 "[ . 1 . 2]" 1
1101 1 88 HIS H 1 88 HIS HB2 . . 3.630 3.484 2.614 3.709 0.079 4 0 "[ . 1 . 2]" 1
1102 1 88 HIS H 1 88 HIS QB . . 3.390 2.563 2.377 2.701 . 0 0 "[ . 1 . 2]" 1
1103 1 88 HIS H 1 88 HIS HB3 . . 3.630 2.764 2.530 3.670 0.040 13 0 "[ . 1 . 2]" 1
1104 1 88 HIS H 1 89 ASN H . . 3.830 2.080 1.973 2.216 . 0 0 "[ . 1 . 2]" 1
1105 1 88 HIS H 1 89 ASN HA . . 5.760 4.839 4.745 4.972 . 0 0 "[ . 1 . 2]" 1
1106 1 88 HIS H 1 89 ASN QD . . 7.770 3.847 2.607 4.270 . 0 0 "[ . 1 . 2]" 1
1107 1 88 HIS H 1 90 LEU H . . 3.530 3.300 3.031 3.535 0.005 16 0 "[ . 1 . 2]" 1
1108 1 88 HIS H 1 91 PRO QG . . 6.880 4.523 4.350 4.633 . 0 0 "[ . 1 . 2]" 1
1109 1 88 HIS HA 1 89 ASN HD21 . . 6.000 4.224 4.061 4.336 . 0 0 "[ . 1 . 2]" 1
1110 1 88 HIS HA 1 89 ASN HD22 . . 6.000 5.709 5.173 5.863 . 0 0 "[ . 1 . 2]" 1
1111 1 88 HIS QB 1 89 ASN QD . . 7.640 3.154 2.096 3.510 . 0 0 "[ . 1 . 2]" 1
1112 1 88 HIS HB2 1 89 ASN H . . 4.190 4.028 3.292 4.224 0.034 16 0 "[ . 1 . 2]" 1
1113 1 88 HIS HB3 1 89 ASN H . . 4.190 3.928 3.024 4.367 0.177 18 0 "[ . 1 . 2]" 1
1114 1 88 HIS HE1 1 89 ASN HD21 . . 6.000 4.155 3.364 6.241 0.241 18 0 "[ . 1 . 2]" 1
1115 1 88 HIS HE1 1 89 ASN HD22 . . 6.000 3.643 2.753 6.257 0.257 13 0 "[ . 1 . 2]" 1
1116 1 89 ASN H 1 89 ASN HB2 . . 3.000 2.347 2.260 2.568 . 0 0 "[ . 1 . 2]" 1
1117 1 89 ASN H 1 89 ASN HB3 . . 3.460 3.550 3.488 3.723 0.263 13 0 "[ . 1 . 2]" 1
1118 1 89 ASN H 1 90 LEU H . . 3.160 1.983 1.829 2.062 . 0 0 "[ . 1 . 2]" 1
1119 1 89 ASN H 1 90 LEU HB2 . . 4.980 3.835 3.674 3.928 . 0 0 "[ . 1 . 2]" 1
1120 1 89 ASN H 1 90 LEU MD2 . . 7.030 5.415 4.965 5.604 . 0 0 "[ . 1 . 2]" 1
1121 1 89 ASN H 1 90 LEU HG . . 6.000 4.333 4.157 4.472 . 0 0 "[ . 1 . 2]" 1
1122 1 89 ASN H 1 92 ILE MD . . 7.030 5.471 4.986 5.695 . 0 0 "[ . 1 . 2]" 1
1123 1 89 ASN HA 1 89 ASN HB3 . . 3.030 2.609 2.433 2.654 . 0 0 "[ . 1 . 2]" 1
1124 1 89 ASN HA 1 91 PRO HD2 . . 6.000 3.443 3.194 3.619 . 0 0 "[ . 1 . 2]" 1
1125 1 89 ASN HA 1 91 PRO QD . . 5.670 3.387 3.151 3.551 . 0 0 "[ . 1 . 2]" 1
1126 1 89 ASN HA 1 91 PRO HD3 . . 6.000 5.018 4.816 5.155 . 0 0 "[ . 1 . 2]" 1
1127 1 89 ASN HA 1 92 ILE H . . 4.450 3.123 2.839 3.375 . 0 0 "[ . 1 . 2]" 1
1128 1 89 ASN HA 1 92 ILE MD . . 6.140 3.524 2.775 3.735 . 0 0 "[ . 1 . 2]" 1
1129 1 89 ASN HA 1 92 ILE MG . . 6.140 3.133 3.011 3.343 . 0 0 "[ . 1 . 2]" 1
1130 1 89 ASN HA 1 93 GLU H . . 5.800 3.443 3.239 3.908 . 0 0 "[ . 1 . 2]" 1
1131 1 89 ASN HB2 1 90 LEU H . . 3.290 3.102 2.960 3.202 . 0 0 "[ . 1 . 2]" 1
1132 1 89 ASN HB3 1 90 LEU H . . 4.450 3.698 3.509 4.042 . 0 0 "[ . 1 . 2]" 1
1133 1 89 ASN HB3 1 92 ILE H . . 6.000 5.091 4.608 5.472 . 0 0 "[ . 1 . 2]" 1
1134 1 89 ASN HB3 1 92 ILE MD . . 7.030 5.471 4.574 5.692 . 0 0 "[ . 1 . 2]" 1
1135 1 89 ASN HB3 1 93 GLU H . . 6.000 4.250 3.991 4.449 . 0 0 "[ . 1 . 2]" 1
1136 1 89 ASN QD 1 92 ILE QG . . 6.730 4.199 3.721 5.051 . 0 0 "[ . 1 . 2]" 1
1137 1 89 ASN QD 1 93 GLU H . . 6.870 5.568 5.145 6.130 . 0 0 "[ . 1 . 2]" 1
1138 1 89 ASN HD21 1 92 ILE HG12 . . 7.730 6.128 5.535 7.279 . 0 0 "[ . 1 . 2]" 1
1139 1 89 ASN HD21 1 92 ILE HG13 . . 7.730 4.552 3.987 5.623 . 0 0 "[ . 1 . 2]" 1
1140 1 89 ASN HD22 1 92 ILE HG12 . . 7.730 6.778 6.104 7.797 0.067 18 0 "[ . 1 . 2]" 1
1141 1 89 ASN HD22 1 92 ILE HG13 . . 7.730 5.416 4.885 6.211 . 0 0 "[ . 1 . 2]" 1
1142 1 90 LEU H 1 90 LEU HB2 . . 2.800 2.164 2.142 2.205 . 0 0 "[ . 1 . 2]" 1
1143 1 90 LEU H 1 90 LEU MD1 . . 5.180 3.529 3.162 3.917 . 0 0 "[ . 1 . 2]" 1
1144 1 90 LEU H 1 90 LEU MD2 . . 5.380 3.881 3.641 4.038 . 0 0 "[ . 1 . 2]" 1
1145 1 90 LEU H 1 90 LEU HG . . 2.960 2.794 2.631 2.987 0.027 5 0 "[ . 1 . 2]" 1
1146 1 90 LEU H 1 91 PRO HD2 . . 3.560 2.425 2.177 2.643 . 0 0 "[ . 1 . 2]" 1
1147 1 90 LEU H 1 91 PRO HD3 . . 3.560 2.680 2.499 2.912 . 0 0 "[ . 1 . 2]" 1
1148 1 90 LEU H 1 92 ILE H . . 5.870 3.920 3.631 4.186 . 0 0 "[ . 1 . 2]" 1
1149 1 90 LEU H 1 92 ILE HB . . 5.470 4.690 4.520 4.889 . 0 0 "[ . 1 . 2]" 1
1150 1 90 LEU HA 1 92 ILE H . . 5.840 4.435 3.972 4.718 . 0 0 "[ . 1 . 2]" 1
1151 1 90 LEU HA 1 93 GLU QB . . 3.810 3.017 2.805 3.623 . 0 0 "[ . 1 . 2]" 1
1152 1 90 LEU HB2 1 91 PRO HD2 . . 3.360 3.130 3.076 3.186 . 0 0 "[ . 1 . 2]" 1
1153 1 90 LEU HB2 1 91 PRO QD . . 3.110 1.957 1.892 2.015 . 0 0 "[ . 1 . 2]" 1
1154 1 90 LEU HB2 1 91 PRO HD3 . . 3.360 1.977 1.910 2.041 . 0 0 "[ . 1 . 2]" 1
1155 1 90 LEU HB3 1 91 PRO HD2 . . 5.310 4.078 4.013 4.125 . 0 0 "[ . 1 . 2]" 1
1156 1 90 LEU HB3 1 91 PRO QD . . 4.480 2.813 2.715 2.888 . 0 0 "[ . 1 . 2]" 1
1157 1 90 LEU HB3 1 91 PRO HD3 . . 5.310 2.867 2.760 2.949 . 0 0 "[ . 1 . 2]" 1
1158 1 90 LEU MD1 1 91 PRO QD . . 7.080 3.657 3.598 3.774 . 0 0 "[ . 1 . 2]" 1
1159 1 90 LEU MD2 1 91 PRO QD . . 6.030 4.252 4.172 4.307 . 0 0 "[ . 1 . 2]" 1
1160 1 91 PRO QB 1 96 LEU QB . . 5.940 2.135 1.937 2.489 . 0 0 "[ . 1 . 2]" 1
1161 1 91 PRO QB 1 96 LEU QD . . 7.360 2.110 1.837 2.402 . 0 0 "[ . 1 . 2]" 1
1162 1 91 PRO QB 1 97 MET HA . . 5.730 4.791 4.577 4.893 . 0 0 "[ . 1 . 2]" 1
1163 1 91 PRO QB 1 97 MET QG . . 4.450 2.045 1.889 2.234 . 0 0 "[ . 1 . 2]" 1
1164 1 91 PRO QD 1 92 ILE H . . 4.830 2.192 2.113 2.350 . 0 0 "[ . 1 . 2]" 1
1165 1 91 PRO QD 1 92 ILE QG . . 8.380 3.678 3.369 3.798 . 0 0 "[ . 1 . 2]" 1
1166 1 91 PRO QD 1 92 ILE MG . . 8.640 4.920 4.866 5.068 . 0 0 "[ . 1 . 2]" 1
1167 1 91 PRO HD2 1 92 ILE H . . 5.140 2.210 2.128 2.376 . 0 0 "[ . 1 . 2]" 1
1168 1 91 PRO HD3 1 92 ILE H . . 5.140 3.628 3.591 3.704 . 0 0 "[ . 1 . 2]" 1
1169 1 91 PRO QG 1 92 ILE H . . 5.050 2.883 2.644 3.310 . 0 0 "[ . 1 . 2]" 1
1170 1 92 ILE H 1 92 ILE HB . . 3.030 2.156 2.084 2.244 . 0 0 "[ . 1 . 2]" 1
1171 1 92 ILE H 1 92 ILE HG12 . . 4.280 3.426 3.285 3.650 . 0 0 "[ . 1 . 2]" 1
1172 1 92 ILE H 1 92 ILE QG . . 4.020 2.696 2.486 2.978 . 0 0 "[ . 1 . 2]" 1
1173 1 92 ILE H 1 92 ILE HG13 . . 4.280 2.822 2.555 3.157 . 0 0 "[ . 1 . 2]" 1
1174 1 92 ILE H 1 93 GLU H . . 2.990 2.641 2.303 2.831 . 0 0 "[ . 1 . 2]" 1
1175 1 92 ILE H 1 93 GLU HA . . 6.180 5.269 4.977 5.471 . 0 0 "[ . 1 . 2]" 1
1176 1 92 ILE H 1 94 CYS H . . 4.910 3.873 3.531 4.136 . 0 0 "[ . 1 . 2]" 1
1177 1 92 ILE HA 1 95 ASN H . . 3.790 3.167 2.830 4.052 0.262 20 0 "[ . 1 . 2]" 1
1178 1 92 ILE HA 1 97 MET H . . 3.530 2.718 2.536 3.072 . 0 0 "[ . 1 . 2]" 1
1179 1 92 ILE HB 1 93 GLU H . . 2.700 2.712 2.635 2.758 0.058 11 0 "[ . 1 . 2]" 1
1180 1 92 ILE MD 1 93 GLU H . . 7.030 4.872 4.778 4.965 . 0 0 "[ . 1 . 2]" 1
1181 1 92 ILE MD 1 96 LEU H . . 7.030 5.941 5.675 6.106 . 0 0 "[ . 1 . 2]" 1
1182 1 92 ILE MD 1 98 SER HA . . 5.210 1.998 1.895 2.236 . 0 0 "[ . 1 . 2]" 1
1183 1 92 ILE MD 1 99 GLN H . . 6.240 4.366 4.286 4.531 . 0 0 "[ . 1 . 2]" 1
1184 1 92 ILE MD 1 99 GLN HA . . 4.820 3.969 3.917 4.086 . 0 0 "[ . 1 . 2]" 1
1185 1 92 ILE MD 1 99 GLN QG . . 6.850 4.015 3.234 4.704 . 0 0 "[ . 1 . 2]" 1
1186 1 92 ILE MD 1 100 PRO QD . . 5.500 4.130 4.061 4.241 . 0 0 "[ . 1 . 2]" 1
1187 1 92 ILE QG 1 93 GLU H . . 4.800 4.234 4.176 4.261 . 0 0 "[ . 1 . 2]" 1
1188 1 92 ILE QG 1 97 MET QB . . 4.450 3.607 3.520 3.695 . 0 0 "[ . 1 . 2]" 1
1189 1 92 ILE QG 1 97 MET QG . . 6.530 1.923 1.824 2.062 . 0 0 "[ . 1 . 2]" 1
1190 1 92 ILE QG 1 98 SER QB . . 5.540 3.736 3.636 3.978 . 0 0 "[ . 1 . 2]" 1
1191 1 92 ILE QG 1 99 GLN H . . 6.880 4.776 4.677 4.843 . 0 0 "[ . 1 . 2]" 1
1192 1 92 ILE MG 1 93 GLU H . . 4.660 2.805 2.669 3.073 . 0 0 "[ . 1 . 2]" 1
1193 1 92 ILE MG 1 93 GLU HA . . 6.490 2.993 2.944 3.111 . 0 0 "[ . 1 . 2]" 1
1194 1 92 ILE MG 1 93 GLU QG . . 6.180 3.141 2.838 4.362 . 0 0 "[ . 1 . 2]" 1
1195 1 93 GLU H 1 93 GLU QB . . 3.620 2.206 2.136 2.497 . 0 0 "[ . 1 . 2]" 1
1196 1 93 GLU H 1 93 GLU HG2 . . 3.260 3.153 2.092 3.310 0.050 17 0 "[ . 1 . 2]" 1
1197 1 93 GLU H 1 93 GLU HG3 . . 3.260 3.216 3.087 3.317 0.057 12 0 "[ . 1 . 2]" 1
1198 1 93 GLU H 1 94 CYS H . . 3.320 2.666 2.585 2.820 . 0 0 "[ . 1 . 2]" 1
1199 1 93 GLU HA 1 94 CYS H . . 3.430 3.468 3.403 3.542 0.112 11 0 "[ . 1 . 2]" 1
1200 1 93 GLU QB 1 94 CYS H . . 3.570 3.040 2.918 3.398 . 0 0 "[ . 1 . 2]" 1
1201 1 93 GLU HB2 1 94 CYS H . . 4.020 3.224 3.085 3.709 . 0 0 "[ . 1 . 2]" 1
1202 1 93 GLU HB3 1 94 CYS H . . 4.020 3.728 3.549 3.945 . 0 0 "[ . 1 . 2]" 1
1203 1 94 CYS H 1 94 CYS HB2 . . 2.770 2.154 2.102 2.232 . 0 0 "[ . 1 . 2]" 1
1204 1 94 CYS H 1 94 CYS HB3 . . 3.390 3.446 3.404 3.490 0.100 5 0 "[ . 1 . 2]" 1
1205 1 94 CYS H 1 95 ASN H . . 3.130 2.392 2.161 3.098 . 0 0 "[ . 1 . 2]" 1
1206 1 94 CYS H 1 96 LEU H . . 3.720 3.520 3.313 4.037 0.317 20 0 "[ . 1 . 2]" 1
1207 1 94 CYS H 1 96 LEU QD . . 7.570 3.762 3.474 4.290 . 0 0 "[ . 1 . 2]" 1
1208 1 94 CYS H 1 96 LEU HG . . 4.320 3.681 3.432 4.328 0.008 20 0 "[ . 1 . 2]" 1
1209 1 94 CYS H 1 97 MET QG . . 7.840 5.593 5.422 5.943 . 0 0 "[ . 1 . 2]" 1
1210 1 94 CYS HA 1 94 CYS HB3 . . 2.900 2.644 2.620 2.670 . 0 0 "[ . 1 . 2]" 1
1211 1 94 CYS HA 1 96 LEU HG . . 6.000 4.351 4.051 5.191 . 0 0 "[ . 1 . 2]" 1
1212 1 94 CYS HB2 1 95 ASN H . . 3.820 3.387 2.338 3.800 . 0 0 "[ . 1 . 2]" 1
1213 1 94 CYS HB2 1 96 LEU QD . . 5.200 2.387 2.198 3.052 . 0 0 "[ . 1 . 2]" 1
1214 1 94 CYS HB2 1 96 LEU HG . . 3.430 2.326 2.092 2.793 . 0 0 "[ . 1 . 2]" 1
1215 1 94 CYS HB3 1 95 ASN H . . 4.280 3.782 2.093 4.142 . 0 0 "[ . 1 . 2]" 1
1216 1 94 CYS HB3 1 96 LEU H . . 4.220 3.718 3.588 4.226 0.006 16 0 "[ . 1 . 2]" 1
1217 1 94 CYS HB3 1 96 LEU QB . . 5.200 4.349 4.160 4.878 . 0 0 "[ . 1 . 2]" 1
1218 1 94 CYS HB3 1 96 LEU QD . . 5.890 2.246 1.944 3.074 . 0 0 "[ . 1 . 2]" 1
1219 1 94 CYS HB3 1 96 LEU HG . . 3.060 2.300 2.109 2.858 . 0 0 "[ . 1 . 2]" 1
1220 1 95 ASN H 1 95 ASN HA . . 2.700 2.305 2.235 2.762 0.062 20 0 "[ . 1 . 2]" 1
1221 1 95 ASN H 1 95 ASN HB2 . . 3.990 3.258 3.019 3.373 . 0 0 "[ . 1 . 2]" 1
1222 1 95 ASN H 1 95 ASN QB . . 3.580 3.090 2.908 3.169 . 0 0 "[ . 1 . 2]" 1
1223 1 95 ASN H 1 95 ASN HB3 . . 3.990 3.845 3.581 3.890 . 0 0 "[ . 1 . 2]" 1
1224 1 95 ASN QB 1 96 LEU QD . . 9.010 3.798 3.499 4.200 . 0 0 "[ . 1 . 2]" 1
1225 1 95 ASN QD 1 100 PRO QB . . 6.740 5.129 4.998 5.197 . 0 0 "[ . 1 . 2]" 1
1226 1 95 ASN QD 1 100 PRO QG . . 7.740 4.998 4.850 5.074 . 0 0 "[ . 1 . 2]" 1
1227 1 95 ASN HD21 1 100 PRO HB2 . . 7.730 7.473 7.253 7.551 . 0 0 "[ . 1 . 2]" 1
1228 1 95 ASN HD21 1 100 PRO HB3 . . 7.730 5.842 5.584 5.993 . 0 0 "[ . 1 . 2]" 1
1229 1 95 ASN HD22 1 100 PRO HB2 . . 7.730 7.814 7.704 7.863 0.133 18 0 "[ . 1 . 2]" 1
1230 1 95 ASN HD22 1 100 PRO HB3 . . 7.730 6.090 6.015 6.138 . 0 0 "[ . 1 . 2]" 1
1231 1 96 LEU H 1 96 LEU QB . . 3.580 2.571 2.451 2.644 . 0 0 "[ . 1 . 2]" 1
1232 1 96 LEU H 1 96 LEU HG . . 3.110 2.074 1.876 2.379 . 0 0 "[ . 1 . 2]" 1
1233 1 96 LEU H 1 97 MET H . . 3.740 2.490 2.107 2.605 . 0 0 "[ . 1 . 2]" 1
1234 1 96 LEU H 1 97 MET QG . . 7.690 4.237 4.034 4.422 . 0 0 "[ . 1 . 2]" 1
1235 1 96 LEU QB 1 97 MET H . . 4.740 2.249 2.075 2.750 . 0 0 "[ . 1 . 2]" 1
1236 1 96 LEU HB2 1 97 MET H . . 5.460 2.274 2.095 2.803 . 0 0 "[ . 1 . 2]" 1
1237 1 96 LEU HB3 1 97 MET H . . 5.460 3.572 3.361 3.978 . 0 0 "[ . 1 . 2]" 1
1238 1 96 LEU QD 1 97 MET H . . 8.780 3.743 3.614 3.963 . 0 0 "[ . 1 . 2]" 1
1239 1 96 LEU HG 1 97 MET H . . 6.960 3.853 3.718 4.144 . 0 0 "[ . 1 . 2]" 1
1240 1 97 MET H 1 97 MET HB2 . . 3.760 3.776 3.735 3.919 0.159 16 0 "[ . 1 . 2]" 1
1241 1 97 MET H 1 97 MET HB3 . . 3.760 2.945 2.759 3.200 . 0 0 "[ . 1 . 2]" 1
1242 1 97 MET H 1 97 MET ME . . 6.830 4.780 4.613 4.910 . 0 0 "[ . 1 . 2]" 1
1243 1 97 MET H 1 97 MET HG2 . . 5.640 2.742 2.217 3.274 . 0 0 "[ . 1 . 2]" 1
1244 1 97 MET H 1 97 MET HG3 . . 5.640 2.676 2.180 3.318 . 0 0 "[ . 1 . 2]" 1
1245 1 97 MET H 1 98 SER H . . 4.250 2.478 2.323 2.690 . 0 0 "[ . 1 . 2]" 1
1246 1 97 MET HA 1 97 MET HG2 . . 4.270 3.943 3.747 4.139 . 0 0 "[ . 1 . 2]" 1
1247 1 97 MET HA 1 97 MET HG3 . . 4.270 3.552 3.479 3.650 . 0 0 "[ . 1 . 2]" 1
1248 1 97 MET HA 1 98 SER H . . 3.100 2.996 2.932 3.055 . 0 0 "[ . 1 . 2]" 1
1249 1 97 MET HA 1 99 GLN H . . 4.190 4.538 4.359 4.704 0.514 11 2 "[ . 1+ . -2]" 1
1250 1 97 MET HA 1 100 PRO QB . . 5.030 3.994 3.906 4.080 . 0 0 "[ . 1 . 2]" 1
1251 1 97 MET QG 1 98 SER H . . 4.160 3.507 3.326 3.774 . 0 0 "[ . 1 . 2]" 1
1252 1 98 SER H 1 98 SER HB2 . . 3.890 2.961 2.122 3.650 . 0 0 "[ . 1 . 2]" 1
1253 1 98 SER H 1 98 SER QB . . 3.590 2.391 2.101 2.701 . 0 0 "[ . 1 . 2]" 1
1254 1 98 SER H 1 98 SER HB3 . . 3.890 2.777 2.463 3.611 . 0 0 "[ . 1 . 2]" 1
1255 1 98 SER H 1 99 GLN H . . 3.540 3.419 3.273 3.547 0.007 11 0 "[ . 1 . 2]" 1
1256 1 98 SER HB2 1 99 GLN H . . 5.310 3.025 2.076 3.603 . 0 0 "[ . 1 . 2]" 1
1257 1 98 SER HB3 1 99 GLN H . . 5.310 2.763 1.882 3.653 . 0 0 "[ . 1 . 2]" 1
1258 1 99 GLN H 1 100 PRO HD2 . . 6.000 3.544 3.370 3.648 . 0 0 "[ . 1 . 2]" 1
1259 1 99 GLN H 1 100 PRO HD3 . . 6.000 2.169 1.967 2.291 . 0 0 "[ . 1 . 2]" 1
1260 1 99 GLN HA 1 100 PRO HD2 . . 2.900 2.655 2.591 2.742 . 0 0 "[ . 1 . 2]" 1
1261 1 99 GLN HA 1 100 PRO HD3 . . 2.900 2.937 2.894 3.011 0.111 12 0 "[ . 1 . 2]" 1
1262 1 99 GLN QB 1 100 PRO QD . . 4.720 3.822 3.763 3.915 . 0 0 "[ . 1 . 2]" 1
1263 1 99 GLN HB2 1 100 PRO HD2 . . 6.000 5.063 4.876 5.187 . 0 0 "[ . 1 . 2]" 1
1264 1 99 GLN HB2 1 100 PRO HD3 . . 6.000 4.578 4.433 4.957 . 0 0 "[ . 1 . 2]" 1
1265 1 99 GLN HB3 1 100 PRO HD2 . . 6.000 5.040 4.920 5.126 . 0 0 "[ . 1 . 2]" 1
1266 1 99 GLN HB3 1 100 PRO HD3 . . 6.000 4.730 4.628 4.882 . 0 0 "[ . 1 . 2]" 1
1267 1 99 GLN QG 1 100 PRO QD . . 6.100 3.977 3.839 4.305 . 0 0 "[ . 1 . 2]" 1
1268 1 99 GLN HG2 1 100 PRO HD2 . . 7.750 5.102 4.405 6.151 . 0 0 "[ . 1 . 2]" 1
1269 1 99 GLN HG2 1 100 PRO HD3 . . 7.750 5.280 4.532 6.163 . 0 0 "[ . 1 . 2]" 1
1270 1 99 GLN HG3 1 100 PRO HD2 . . 7.750 5.100 4.529 6.182 . 0 0 "[ . 1 . 2]" 1
1271 1 99 GLN HG3 1 100 PRO HD3 . . 7.750 5.152 4.169 6.286 . 0 0 "[ . 1 . 2]" 1
1272 1 100 PRO QB 1 101 CYS H . . 3.620 2.434 1.896 2.716 . 0 0 "[ . 1 . 2]" 1
1273 1 100 PRO HB2 1 101 CYS H . . 3.860 2.469 1.906 2.770 . 0 0 "[ . 1 . 2]" 1
1274 1 100 PRO HB3 1 101 CYS H . . 3.860 3.721 3.405 3.918 0.058 11 0 "[ . 1 . 2]" 1
1275 1 101 CYS H 1 101 CYS HB2 . . 3.230 2.826 2.716 3.055 . 0 0 "[ . 1 . 2]" 1
1276 1 101 CYS H 1 101 CYS HB3 . . 3.890 3.541 3.405 3.571 . 0 0 "[ . 1 . 2]" 1
1277 1 101 CYS H 1 102 GLN H . . 4.550 4.494 4.371 4.552 0.002 2 0 "[ . 1 . 2]" 1
1278 1 101 CYS HA 1 102 GLN H . . 2.770 2.277 2.114 2.657 . 0 0 "[ . 1 . 2]" 1
1279 1 101 CYS HB2 1 102 GLN H . . 4.380 3.667 2.681 4.192 . 0 0 "[ . 1 . 2]" 1
1280 1 101 CYS HB3 1 102 GLN H . . 3.720 3.172 2.189 3.744 0.024 20 0 "[ . 1 . 2]" 1
1281 1 102 GLN H 1 102 GLN HB2 . . 3.760 2.685 2.597 3.574 . 0 0 "[ . 1 . 2]" 1
1282 1 102 GLN H 1 102 GLN QB . . 3.380 2.615 2.552 3.082 . 0 0 "[ . 1 . 2]" 1
1283 1 102 GLN H 1 102 GLN HB3 . . 3.760 3.759 3.366 3.810 0.050 5 0 "[ . 1 . 2]" 1
1284 1 102 GLN H 1 103 MET H . . 4.380 4.422 4.394 4.455 0.075 6 0 "[ . 1 . 2]" 1
1285 1 102 GLN HA 1 102 GLN QG . . 3.580 2.431 2.240 3.252 . 0 0 "[ . 1 . 2]" 1
1286 1 102 GLN HA 1 103 MET H . . 2.700 2.565 2.507 2.614 . 0 0 "[ . 1 . 2]" 1
1287 1 102 GLN QB 1 103 MET H . . 2.970 2.063 2.004 2.149 . 0 0 "[ . 1 . 2]" 1
1288 1 102 GLN HB2 1 103 MET H . . 3.230 3.214 2.137 3.345 0.115 6 0 "[ . 1 . 2]" 1
1289 1 102 GLN HB3 1 103 MET H . . 3.230 2.143 2.024 3.295 0.065 2 0 "[ . 1 . 2]" 1
1290 1 102 GLN QG 1 103 MET H . . 5.160 3.888 3.698 4.108 . 0 0 "[ . 1 . 2]" 1
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