NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652714 |
6l7z   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6l7z
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 1229
_Distance_constraint_stats_list.Viol_count 895
_Distance_constraint_stats_list.Viol_total 692.314
_Distance_constraint_stats_list.Viol_max 0.741
_Distance_constraint_stats_list.Viol_rms 0.0271
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0774
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.000 0.000 . 0 "[ . 1]"
1 3 PHE 1.318 0.238 10 0 "[ . 1]"
1 4 ARG 2.269 0.284 5 0 "[ . 1]"
1 5 VAL 3.423 0.284 5 0 "[ . 1]"
1 6 VAL 1.877 0.226 8 0 "[ . 1]"
1 7 GLY 1.323 0.223 9 0 "[ . 1]"
1 9 ASN 0.839 0.190 10 0 "[ . 1]"
1 10 LEU 2.202 0.372 3 0 "[ . 1]"
1 11 PRO 0.219 0.111 8 0 "[ . 1]"
1 12 ILE 4.623 0.264 2 0 "[ . 1]"
1 13 LEU 2.840 0.156 3 0 "[ . 1]"
1 14 ALA 0.982 0.131 10 0 "[ . 1]"
1 15 LYS 0.445 0.122 3 0 "[ . 1]"
1 16 VAL 1.949 0.741 6 1 "[ .+ 1]"
1 17 GLY 0.098 0.030 10 0 "[ . 1]"
1 18 GLU 0.004 0.004 2 0 "[ . 1]"
1 19 ASP 1.983 0.184 7 0 "[ . 1]"
1 20 ALA 0.127 0.068 2 0 "[ . 1]"
1 21 LEU 3.518 0.207 6 0 "[ . 1]"
1 22 LEU 1.771 0.234 10 0 "[ . 1]"
1 23 THR 2.596 0.277 10 0 "[ . 1]"
1 24 CYS 2.329 0.248 10 0 "[ . 1]"
1 25 GLN 1.594 0.217 2 0 "[ . 1]"
1 26 LEU 1.876 0.200 5 0 "[ . 1]"
1 27 LEU 0.000 0.000 . 0 "[ . 1]"
1 28 PRO 0.186 0.132 5 0 "[ . 1]"
1 29 LYS 2.063 0.286 3 0 "[ . 1]"
1 30 ARG 0.811 0.229 2 0 "[ . 1]"
1 31 THR 0.798 0.229 2 0 "[ . 1]"
1 32 THR 1.837 0.286 3 0 "[ . 1]"
1 33 ALA 0.388 0.159 2 0 "[ . 1]"
1 34 HIS 0.899 0.355 7 0 "[ . 1]"
1 35 MET 0.570 0.216 8 0 "[ . 1]"
1 36 GLU 2.025 0.212 10 0 "[ . 1]"
1 37 VAL 1.282 0.187 8 0 "[ . 1]"
1 38 ARG 0.584 0.124 8 0 "[ . 1]"
1 39 TRP 3.620 0.277 10 0 "[ . 1]"
1 40 TYR 0.443 0.144 5 0 "[ . 1]"
1 41 ARG 1.226 0.258 6 0 "[ . 1]"
1 42 SER 0.280 0.077 1 0 "[ . 1]"
1 43 ASP 0.237 0.144 5 0 "[ . 1]"
1 44 PRO 0.000 0.000 . 0 "[ . 1]"
1 46 MET 1.467 0.296 9 0 "[ . 1]"
1 47 PRO 1.417 0.296 9 0 "[ . 1]"
1 48 VAL 0.158 0.112 6 0 "[ . 1]"
1 49 ILE 3.020 0.181 3 0 "[ . 1]"
1 50 MET 0.848 0.149 8 0 "[ . 1]"
1 51 TYR 1.037 0.187 8 0 "[ . 1]"
1 52 ARG 0.707 0.131 8 0 "[ . 1]"
1 53 ASP 0.813 0.355 7 0 "[ . 1]"
1 54 GLY 0.149 0.090 4 0 "[ . 1]"
1 55 ALA 0.361 0.103 7 0 "[ . 1]"
1 56 GLU 0.957 0.181 3 0 "[ . 1]"
1 57 VAL 1.065 0.111 8 0 "[ . 1]"
1 58 THR 0.069 0.069 6 0 "[ . 1]"
1 59 GLY 0.111 0.069 6 0 "[ . 1]"
1 60 LEU 0.584 0.163 4 0 "[ . 1]"
1 61 PRO 0.278 0.149 2 0 "[ . 1]"
1 62 MET 0.265 0.163 4 0 "[ . 1]"
1 63 GLU 1.049 0.206 6 0 "[ . 1]"
1 64 GLY 0.423 0.206 6 0 "[ . 1]"
1 65 TYR 0.401 0.122 7 0 "[ . 1]"
1 66 GLY 0.083 0.083 1 0 "[ . 1]"
1 67 GLY 0.377 0.127 1 0 "[ . 1]"
1 68 ARG 1.607 0.185 6 0 "[ . 1]"
1 69 ALA 2.813 0.200 7 0 "[ . 1]"
1 70 GLU 0.000 0.000 . 0 "[ . 1]"
1 71 TRP 1.717 0.168 7 0 "[ . 1]"
1 72 MET 0.356 0.080 3 0 "[ . 1]"
1 73 GLU 1.126 0.146 10 0 "[ . 1]"
1 74 ASP 0.064 0.023 5 0 "[ . 1]"
1 75 SER 0.023 0.023 8 0 "[ . 1]"
1 76 THR 0.622 0.232 6 0 "[ . 1]"
1 77 GLU 0.000 0.000 . 0 "[ . 1]"
1 78 GLU 0.000 0.000 . 0 "[ . 1]"
1 79 GLY 0.115 0.057 8 0 "[ . 1]"
1 80 SER 2.563 0.386 4 0 "[ . 1]"
1 81 VAL 1.456 0.386 4 0 "[ . 1]"
1 82 ALA 1.105 0.167 1 0 "[ . 1]"
1 83 LEU 2.375 0.203 10 0 "[ . 1]"
1 84 LYS 1.314 0.168 7 0 "[ . 1]"
1 85 ILE 0.940 0.104 8 0 "[ . 1]"
1 86 ARG 2.146 0.185 6 0 "[ . 1]"
1 87 GLN 1.403 0.184 7 0 "[ . 1]"
1 88 VAL 0.458 0.078 5 0 "[ . 1]"
1 89 GLN 3.258 0.741 6 1 "[ .+ 1]"
1 90 PRO 0.045 0.025 6 0 "[ . 1]"
1 91 SER 0.118 0.077 3 0 "[ . 1]"
1 92 ASP 1.543 0.198 6 0 "[ . 1]"
1 93 ASP 2.036 0.181 2 0 "[ . 1]"
1 94 GLY 0.142 0.067 4 0 "[ . 1]"
1 95 GLN 0.372 0.077 1 0 "[ . 1]"
1 96 TYR 2.778 0.258 6 0 "[ . 1]"
1 97 TRP 2.185 0.364 2 0 "[ . 1]"
1 98 CYS 1.583 0.226 8 0 "[ . 1]"
1 99 ARG 2.579 0.189 1 0 "[ . 1]"
1 100 PHE 2.487 0.220 5 0 "[ . 1]"
1 101 GLN 0.801 0.216 8 0 "[ . 1]"
1 102 GLU 0.141 0.126 10 0 "[ . 1]"
1 103 GLY 0.000 0.000 . 0 "[ . 1]"
1 104 ASP 0.000 0.000 . 0 "[ . 1]"
1 105 TYR 0.477 0.136 8 0 "[ . 1]"
1 106 TRP 2.639 0.189 1 0 "[ . 1]"
1 107 ARG 1.439 0.238 10 0 "[ . 1]"
1 108 GLU 0.571 0.150 9 0 "[ . 1]"
1 109 THR 1.225 0.220 10 0 "[ . 1]"
1 110 SER 2.247 0.364 2 0 "[ . 1]"
1 111 VAL 0.319 0.152 6 0 "[ . 1]"
1 112 LEU 4.674 0.372 3 0 "[ . 1]"
1 113 LEU 3.424 0.232 9 0 "[ . 1]"
1 114 GLN 1.571 0.187 4 0 "[ . 1]"
1 115 VAL 1.981 0.198 6 0 "[ . 1]"
1 116 ALA 1.702 0.119 8 0 "[ . 1]"
1 117 ALA 0.479 0.096 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP HA 1 3 PHE H . . 3.850 3.084 2.215 3.587 . 0 0 "[ . 1]" 1
2 1 2 ASP HA 1 105 TYR QD . . 7.070 5.387 3.937 6.577 . 0 0 "[ . 1]" 1
3 1 2 ASP QB 1 3 PHE H . . 4.820 2.700 1.994 3.905 . 0 0 "[ . 1]" 1
4 1 3 PHE H 1 4 ARG H . . 5.200 4.453 4.391 4.517 . 0 0 "[ . 1]" 1
5 1 3 PHE H 1 105 TYR QE . . 7.060 4.017 1.801 7.196 0.136 8 0 "[ . 1]" 1
6 1 3 PHE H 1 107 ARG HB3 . . 5.480 5.569 5.431 5.718 0.238 10 0 "[ . 1]" 1
7 1 3 PHE HA 1 4 ARG H . . 3.570 2.248 2.202 2.305 . 0 0 "[ . 1]" 1
8 1 3 PHE HA 1 27 LEU H . . 5.900 5.247 4.842 5.652 . 0 0 "[ . 1]" 1
9 1 3 PHE QB 1 4 ARG H . . 5.310 2.834 2.693 3.019 . 0 0 "[ . 1]" 1
10 1 3 PHE QB 1 27 LEU H . . 5.960 4.723 4.038 5.147 . 0 0 "[ . 1]" 1
11 1 3 PHE QB 1 106 TRP HB3 . . 8.410 6.051 5.683 6.635 . 0 0 "[ . 1]" 1
12 1 3 PHE QB 1 107 ARG H . . 5.890 4.294 3.858 4.631 . 0 0 "[ . 1]" 1
13 1 4 ARG H 1 5 VAL H . . 4.700 4.342 4.290 4.376 . 0 0 "[ . 1]" 1
14 1 4 ARG H 1 5 VAL HA . . 5.130 4.841 4.750 4.911 . 0 0 "[ . 1]" 1
15 1 4 ARG H 1 5 VAL HB . . 6.680 6.185 4.957 6.683 0.003 2 0 "[ . 1]" 1
16 1 4 ARG H 1 5 VAL MG2 . . 5.640 4.475 3.898 5.774 0.134 8 0 "[ . 1]" 1
17 1 4 ARG H 1 26 LEU HA . . 5.200 4.936 4.698 5.237 0.037 10 0 "[ . 1]" 1
18 1 4 ARG H 1 26 LEU HB2 . . 5.640 5.295 4.909 5.683 0.043 5 0 "[ . 1]" 1
19 1 4 ARG H 1 27 LEU H . . 4.490 3.994 3.638 4.427 . 0 0 "[ . 1]" 1
20 1 4 ARG H 1 27 LEU QB . . 6.070 4.193 3.613 5.387 . 0 0 "[ . 1]" 1
21 1 4 ARG H 1 100 PHE HB2 . . 5.990 5.881 5.361 6.065 0.075 10 0 "[ . 1]" 1
22 1 4 ARG H 1 100 PHE HB3 . . 5.190 5.185 5.067 5.235 0.045 10 0 "[ . 1]" 1
23 1 4 ARG HA 1 5 VAL H . . 3.380 2.190 2.126 2.328 . 0 0 "[ . 1]" 1
24 1 4 ARG HA 1 100 PHE H . . 6.340 6.198 5.654 6.502 0.162 3 0 "[ . 1]" 1
25 1 4 ARG HA 1 107 ARG H . . 5.500 5.225 4.765 5.502 0.002 1 0 "[ . 1]" 1
26 1 4 ARG QB 1 5 VAL H . . 4.490 3.386 2.432 3.643 . 0 0 "[ . 1]" 1
27 1 4 ARG QD 1 5 VAL HB . . 5.680 5.457 4.651 5.964 0.284 5 0 "[ . 1]" 1
28 1 4 ARG QD 1 5 VAL MG2 . . 6.530 5.132 3.873 5.847 . 0 0 "[ . 1]" 1
29 1 4 ARG QG 1 5 VAL H . . 4.180 2.387 1.927 4.132 . 0 0 "[ . 1]" 1
30 1 4 ARG QG 1 109 THR H . . 8.720 7.025 6.169 8.434 . 0 0 "[ . 1]" 1
31 1 5 VAL H 1 5 VAL HB . . 3.770 2.758 2.455 3.782 0.012 2 0 "[ . 1]" 1
32 1 5 VAL H 1 5 VAL MG2 . . 3.990 2.751 1.948 3.944 . 0 0 "[ . 1]" 1
33 1 5 VAL H 1 6 VAL H . . 5.620 4.426 4.371 4.513 . 0 0 "[ . 1]" 1
34 1 5 VAL H 1 6 VAL QG . . 7.100 4.259 3.745 4.722 . 0 0 "[ . 1]" 1
35 1 5 VAL H 1 26 LEU HB3 . . 5.700 5.732 5.548 5.900 0.200 5 0 "[ . 1]" 1
36 1 5 VAL H 1 107 ARG HB2 . . 5.760 4.328 3.708 5.147 . 0 0 "[ . 1]" 1
37 1 5 VAL H 1 107 ARG HB3 . . 4.110 3.088 2.848 3.571 . 0 0 "[ . 1]" 1
38 1 5 VAL H 1 109 THR HB . . 5.350 4.869 4.462 5.396 0.046 5 0 "[ . 1]" 1
39 1 5 VAL H 1 109 THR MG . . 7.050 4.641 2.617 5.908 . 0 0 "[ . 1]" 1
40 1 5 VAL HA 1 6 VAL H . . 3.290 2.255 2.197 2.308 . 0 0 "[ . 1]" 1
41 1 5 VAL HA 1 6 VAL QG . . 5.690 3.405 3.157 3.566 . 0 0 "[ . 1]" 1
42 1 5 VAL HA 1 25 GLN H . . 4.970 4.724 4.490 4.935 . 0 0 "[ . 1]" 1
43 1 5 VAL HA 1 26 LEU HG . . 5.670 5.649 5.529 5.840 0.170 2 0 "[ . 1]" 1
44 1 5 VAL HA 1 109 THR HB . . 5.910 5.465 4.730 6.130 0.220 10 0 "[ . 1]" 1
45 1 5 VAL HB 1 6 VAL H . . 5.380 3.947 2.788 4.199 . 0 0 "[ . 1]" 1
46 1 5 VAL HB 1 100 PHE H . . 5.250 4.580 4.273 5.271 0.021 2 0 "[ . 1]" 1
47 1 5 VAL HB 1 109 THR H . . 5.150 3.755 2.685 5.197 0.047 8 0 "[ . 1]" 1
48 1 5 VAL MG1 1 6 VAL HA . . 5.770 4.030 3.725 5.491 . 0 0 "[ . 1]" 1
49 1 5 VAL MG1 1 25 GLN H . . 4.520 3.600 3.074 4.737 0.217 2 0 "[ . 1]" 1
50 1 5 VAL MG1 1 26 LEU H . . 6.430 4.713 4.060 6.206 . 0 0 "[ . 1]" 1
51 1 5 VAL MG1 1 26 LEU MD1 . . 7.900 5.027 3.913 5.966 . 0 0 "[ . 1]" 1
52 1 5 VAL MG1 1 81 VAL H . . 7.340 6.248 5.826 7.544 0.204 8 0 "[ . 1]" 1
53 1 5 VAL MG1 1 99 ARG H . . 7.380 4.561 4.195 4.999 . 0 0 "[ . 1]" 1
54 1 5 VAL MG1 1 109 THR H . . 5.790 3.337 2.430 5.129 . 0 0 "[ . 1]" 1
55 1 5 VAL MG1 1 109 THR HA . . 8.000 5.050 4.225 6.583 . 0 0 "[ . 1]" 1
56 1 5 VAL MG2 1 24 CYS HB2 . . 6.040 4.445 2.176 4.902 . 0 0 "[ . 1]" 1
57 1 5 VAL MG2 1 26 LEU H . . 6.980 5.093 3.512 6.465 . 0 0 "[ . 1]" 1
58 1 5 VAL MG2 1 37 VAL MG1 . . 7.460 4.597 4.245 5.384 . 0 0 "[ . 1]" 1
59 1 5 VAL MG2 1 99 ARG H . . 6.530 4.679 4.228 5.313 . 0 0 "[ . 1]" 1
60 1 5 VAL MG2 1 100 PHE H . . 4.880 2.853 2.103 4.835 . 0 0 "[ . 1]" 1
61 1 5 VAL MG2 1 100 PHE HB2 . . 4.700 2.435 1.947 4.142 . 0 0 "[ . 1]" 1
62 1 5 VAL MG2 1 100 PHE HB3 . . 5.210 2.855 2.184 4.949 . 0 0 "[ . 1]" 1
63 1 5 VAL MG2 1 108 GLU H . . 7.330 4.771 3.441 6.458 . 0 0 "[ . 1]" 1
64 1 5 VAL MG2 1 109 THR H . . 5.780 4.124 2.866 4.880 . 0 0 "[ . 1]" 1
65 1 6 VAL H 1 6 VAL HB . . 4.300 2.869 2.558 3.873 . 0 0 "[ . 1]" 1
66 1 6 VAL H 1 6 VAL QG . . 4.150 2.482 2.078 2.728 . 0 0 "[ . 1]" 1
67 1 6 VAL H 1 9 ASN HD22 . . 6.600 6.108 4.583 6.732 0.132 10 0 "[ . 1]" 1
68 1 6 VAL H 1 24 CYS HA . . 5.440 5.243 4.805 5.487 0.047 1 0 "[ . 1]" 1
69 1 6 VAL H 1 24 CYS HB2 . . 5.930 4.008 3.639 4.363 . 0 0 "[ . 1]" 1
70 1 6 VAL H 1 25 GLN H . . 4.130 3.056 2.630 3.329 . 0 0 "[ . 1]" 1
71 1 6 VAL H 1 25 GLN QB . . 4.550 3.121 2.718 3.618 . 0 0 "[ . 1]" 1
72 1 6 VAL H 1 25 GLN O . . 2.550 2.042 1.866 2.216 . 0 0 "[ . 1]" 1
73 1 6 VAL H 1 26 LEU H . . 5.620 5.072 4.859 5.312 . 0 0 "[ . 1]" 1
74 1 6 VAL H 1 26 LEU HA . . 4.280 3.986 3.752 4.246 . 0 0 "[ . 1]" 1
75 1 6 VAL H 1 26 LEU HB2 . . 6.170 5.829 5.352 6.199 0.029 2 0 "[ . 1]" 1
76 1 6 VAL H 1 80 SER QB . . 8.720 7.560 6.711 8.029 . 0 0 "[ . 1]" 1
77 1 6 VAL H 1 98 CYS HB2 . . 6.330 6.416 6.024 6.556 0.226 8 0 "[ . 1]" 1
78 1 6 VAL H 1 109 THR H . . 6.710 6.424 5.930 6.834 0.124 3 0 "[ . 1]" 1
79 1 6 VAL HA 1 25 GLN H . . 5.300 5.015 4.595 5.235 . 0 0 "[ . 1]" 1
80 1 6 VAL HA 1 109 THR HB . . 5.360 3.546 2.842 4.653 . 0 0 "[ . 1]" 1
81 1 6 VAL HA 1 109 THR MG . . 4.850 3.031 2.452 3.747 . 0 0 "[ . 1]" 1
82 1 6 VAL QG 1 25 GLN H . . 6.280 3.829 3.189 4.560 . 0 0 "[ . 1]" 1
83 1 6 VAL QG 1 25 GLN HA . . 7.710 4.910 4.340 5.790 . 0 0 "[ . 1]" 1
84 1 6 VAL N 1 25 GLN O . . 3.650 2.965 2.766 3.118 . 0 0 "[ . 1]" 1
85 1 6 VAL O 1 25 GLN H . . 2.790 2.383 2.311 2.473 . 0 0 "[ . 1]" 1
86 1 6 VAL O 1 25 GLN N . . 3.650 3.348 3.261 3.453 . 0 0 "[ . 1]" 1
87 1 7 GLY H 1 109 THR MG . . 5.120 2.589 1.900 3.545 . 0 0 "[ . 1]" 1
88 1 7 GLY H 1 111 VAL QG . . 7.760 4.502 4.130 4.976 . 0 0 "[ . 1]" 1
89 1 7 GLY HA2 1 23 THR MG . . 8.200 6.200 5.595 6.832 . 0 0 "[ . 1]" 1
90 1 7 GLY HA2 1 25 GLN H . . 5.880 4.291 3.753 4.710 . 0 0 "[ . 1]" 1
91 1 7 GLY HA2 1 109 THR HB . . 5.520 4.511 3.196 5.589 0.069 1 0 "[ . 1]" 1
92 1 7 GLY HA2 1 109 THR MG . . 5.500 3.424 2.527 4.745 . 0 0 "[ . 1]" 1
93 1 7 GLY HA2 1 111 VAL QG . . 5.280 2.260 1.918 2.849 . 0 0 "[ . 1]" 1
94 1 7 GLY HA2 1 111 VAL MG2 . . 5.750 2.795 1.924 4.858 . 0 0 "[ . 1]" 1
95 1 7 GLY HA2 1 112 LEU H . . 5.620 5.721 5.453 5.843 0.223 9 0 "[ . 1]" 1
96 1 7 GLY HA2 1 112 LEU QB . . 8.360 7.387 7.006 7.782 . 0 0 "[ . 1]" 1
97 1 7 GLY HA3 1 109 THR MG . . 4.300 2.660 1.997 3.970 . 0 0 "[ . 1]" 1
98 1 7 GLY HA3 1 111 VAL QG . . 6.270 2.942 2.234 3.382 . 0 0 "[ . 1]" 1
99 1 7 GLY HA3 1 111 VAL MG2 . . 5.880 3.426 2.247 5.505 . 0 0 "[ . 1]" 1
100 1 9 ASN QB 1 10 LEU H . . 4.780 2.503 1.900 3.023 . 0 0 "[ . 1]" 1
101 1 9 ASN QB 1 10 LEU HA . . 6.100 4.452 4.315 4.526 . 0 0 "[ . 1]" 1
102 1 9 ASN QB 1 23 THR MG . . 8.230 3.583 2.379 4.991 . 0 0 "[ . 1]" 1
103 1 9 ASN QB 1 24 CYS HA . . 5.250 4.694 4.140 4.981 . 0 0 "[ . 1]" 1
104 1 9 ASN HD21 1 24 CYS HB3 . . 4.740 4.431 3.858 4.930 0.190 10 0 "[ . 1]" 1
105 1 9 ASN HD21 1 109 THR HB . . 8.460 7.679 6.666 8.500 0.040 9 0 "[ . 1]" 1
106 1 9 ASN HD21 1 111 VAL H . . 7.580 6.602 5.853 7.050 . 0 0 "[ . 1]" 1
107 1 9 ASN HD21 1 112 LEU H . . 5.840 5.157 4.195 5.726 . 0 0 "[ . 1]" 1
108 1 9 ASN HD22 1 23 THR HA . . 6.710 5.926 4.974 6.708 . 0 0 "[ . 1]" 1
109 1 9 ASN HD22 1 23 THR MG . . 6.190 3.729 2.714 4.565 . 0 0 "[ . 1]" 1
110 1 9 ASN HD22 1 24 CYS H . . 5.630 4.842 3.766 5.736 0.106 10 0 "[ . 1]" 1
111 1 9 ASN HD22 1 24 CYS HB3 . . 5.030 4.480 4.135 4.739 . 0 0 "[ . 1]" 1
112 1 9 ASN HD22 1 111 VAL MG1 . . 6.130 3.359 1.865 4.645 . 0 0 "[ . 1]" 1
113 1 9 ASN HD22 1 111 VAL MG2 . . 6.110 3.652 1.858 5.322 . 0 0 "[ . 1]" 1
114 1 10 LEU H 1 10 LEU QB . . 3.670 2.411 2.240 2.776 . 0 0 "[ . 1]" 1
115 1 10 LEU H 1 23 THR MG . . 7.110 5.554 4.661 5.927 . 0 0 "[ . 1]" 1
116 1 10 LEU H 1 112 LEU H . . 5.940 6.159 6.071 6.312 0.372 3 0 "[ . 1]" 1
117 1 10 LEU H 1 112 LEU QB . . 6.140 5.659 5.104 6.157 0.017 3 0 "[ . 1]" 1
118 1 10 LEU HA 1 112 LEU QB . . 7.070 4.435 3.588 5.440 . 0 0 "[ . 1]" 1
119 1 11 PRO HA 1 12 ILE H . . 3.730 2.229 2.177 2.280 . 0 0 "[ . 1]" 1
120 1 11 PRO HA 1 112 LEU H . . 4.710 4.284 4.142 4.523 . 0 0 "[ . 1]" 1
121 1 11 PRO HA 1 112 LEU QB . . 4.620 2.412 1.996 2.825 . 0 0 "[ . 1]" 1
122 1 11 PRO HB2 1 114 GLN H . . 5.220 4.441 3.772 5.148 . 0 0 "[ . 1]" 1
123 1 11 PRO HB2 1 114 GLN HE21 . . 6.730 6.037 4.691 6.841 0.111 8 0 "[ . 1]" 1
124 1 11 PRO HB3 1 12 ILE H . . 5.000 3.697 3.398 3.915 . 0 0 "[ . 1]" 1
125 1 11 PRO HB3 1 114 GLN H . . 5.550 4.484 3.919 5.382 . 0 0 "[ . 1]" 1
126 1 12 ILE H 1 12 ILE HB . . 4.150 2.624 2.516 2.685 . 0 0 "[ . 1]" 1
127 1 12 ILE H 1 12 ILE MD . . 4.710 3.709 3.422 3.883 . 0 0 "[ . 1]" 1
128 1 12 ILE H 1 12 ILE HG12 . . 3.940 3.648 2.430 4.016 0.076 3 0 "[ . 1]" 1
129 1 12 ILE H 1 12 ILE HG13 . . 4.150 2.908 2.526 3.887 . 0 0 "[ . 1]" 1
130 1 12 ILE H 1 13 LEU HG . . 6.170 6.201 5.951 6.326 0.156 3 0 "[ . 1]" 1
131 1 12 ILE H 1 23 THR H . . 7.060 7.134 6.882 7.324 0.264 2 0 "[ . 1]" 1
132 1 12 ILE H 1 23 THR MG . . 7.190 6.124 5.873 6.490 . 0 0 "[ . 1]" 1
133 1 12 ILE H 1 111 VAL QG . . 7.910 4.890 4.559 5.694 . 0 0 "[ . 1]" 1
134 1 12 ILE H 1 112 LEU H . . 5.280 5.373 4.943 5.511 0.231 5 0 "[ . 1]" 1
135 1 12 ILE H 1 112 LEU QB . . 4.960 3.921 3.606 4.132 . 0 0 "[ . 1]" 1
136 1 12 ILE H 1 112 LEU O . . 2.550 2.304 1.883 2.428 . 0 0 "[ . 1]" 1
137 1 12 ILE H 1 113 LEU HA . . 4.340 2.240 1.949 2.468 . 0 0 "[ . 1]" 1
138 1 12 ILE H 1 113 LEU HB2 . . 5.310 5.063 4.635 5.327 0.017 6 0 "[ . 1]" 1
139 1 12 ILE H 1 113 LEU HB3 . . 4.920 4.230 3.716 4.625 . 0 0 "[ . 1]" 1
140 1 12 ILE H 1 114 GLN H . . 5.630 3.165 2.837 3.638 . 0 0 "[ . 1]" 1
141 1 12 ILE H 1 114 GLN HE21 . . 5.690 5.721 5.437 5.838 0.148 1 0 "[ . 1]" 1
142 1 12 ILE HA 1 12 ILE MD . . 4.300 3.555 2.237 3.890 . 0 0 "[ . 1]" 1
143 1 12 ILE HA 1 13 LEU H . . 3.230 2.152 2.098 2.200 . 0 0 "[ . 1]" 1
144 1 12 ILE HA 1 13 LEU QD . . 5.840 4.123 3.118 5.256 . 0 0 "[ . 1]" 1
145 1 12 ILE HA 1 23 THR MG . . 6.840 6.244 5.700 6.632 . 0 0 "[ . 1]" 1
146 1 12 ILE HB 1 13 LEU H . . 6.640 4.248 4.172 4.309 . 0 0 "[ . 1]" 1
147 1 12 ILE HB 1 13 LEU HA . . 5.050 4.952 4.788 5.082 0.032 6 0 "[ . 1]" 1
148 1 12 ILE HB 1 14 ALA H . . 5.840 5.641 5.200 5.862 0.022 7 0 "[ . 1]" 1
149 1 12 ILE HB 1 21 LEU HB2 . . 5.880 5.812 5.164 6.019 0.139 6 0 "[ . 1]" 1
150 1 12 ILE HB 1 21 LEU MD1 . . 8.460 6.728 6.490 7.648 . 0 0 "[ . 1]" 1
151 1 12 ILE HB 1 22 LEU MD2 . . 6.530 5.078 4.399 6.607 0.077 6 0 "[ . 1]" 1
152 1 12 ILE HB 1 113 LEU HA . . 4.700 3.048 2.421 3.356 . 0 0 "[ . 1]" 1
153 1 12 ILE HB 1 114 GLN H . . 5.750 4.135 3.672 4.701 . 0 0 "[ . 1]" 1
154 1 12 ILE MD 1 13 LEU H . . 5.480 4.959 3.880 5.317 . 0 0 "[ . 1]" 1
155 1 12 ILE MD 1 21 LEU HB2 . . 5.610 4.002 3.310 4.534 . 0 0 "[ . 1]" 1
156 1 12 ILE MD 1 22 LEU HA . . 6.040 3.676 2.670 5.653 . 0 0 "[ . 1]" 1
157 1 12 ILE MD 1 23 THR H . . 4.950 3.483 2.635 5.024 0.074 2 0 "[ . 1]" 1
158 1 12 ILE MD 1 23 THR HB . . 5.330 4.214 3.710 5.266 . 0 0 "[ . 1]" 1
159 1 12 ILE MD 1 114 GLN H . . 7.200 5.710 5.353 6.115 . 0 0 "[ . 1]" 1
160 1 12 ILE HG12 1 23 THR MG . . 5.070 4.169 3.472 4.554 . 0 0 "[ . 1]" 1
161 1 12 ILE HG13 1 20 ALA MB . . 7.220 6.695 4.992 7.255 0.035 3 0 "[ . 1]" 1
162 1 12 ILE HG13 1 112 LEU H . . 6.350 5.853 5.456 6.363 0.013 1 0 "[ . 1]" 1
163 1 12 ILE MG 1 20 ALA MB . . 6.220 3.741 3.220 4.058 . 0 0 "[ . 1]" 1
164 1 12 ILE MG 1 21 LEU H . . 5.230 2.729 2.092 3.090 . 0 0 "[ . 1]" 1
165 1 12 ILE MG 1 21 LEU HA . . 5.520 4.602 4.098 5.081 . 0 0 "[ . 1]" 1
166 1 12 ILE MG 1 22 LEU MD2 . . 8.060 4.958 4.287 6.123 . 0 0 "[ . 1]" 1
167 1 12 ILE MG 1 23 THR H . . 6.050 5.552 5.031 5.820 . 0 0 "[ . 1]" 1
168 1 12 ILE N 1 112 LEU O . . 3.650 3.177 2.782 3.333 . 0 0 "[ . 1]" 1
169 1 13 LEU H 1 13 LEU QB . . 3.350 2.336 2.230 2.506 . 0 0 "[ . 1]" 1
170 1 13 LEU H 1 13 LEU QD . . 4.640 3.183 2.490 3.888 . 0 0 "[ . 1]" 1
171 1 13 LEU H 1 14 ALA HA . . 5.530 5.229 4.990 5.430 . 0 0 "[ . 1]" 1
172 1 13 LEU H 1 20 ALA MB . . 7.890 6.413 6.065 6.746 . 0 0 "[ . 1]" 1
173 1 13 LEU H 1 113 LEU HA . . 5.710 5.677 5.253 5.866 0.156 6 0 "[ . 1]" 1
174 1 13 LEU H 1 116 ALA H . . 6.770 6.831 6.723 6.889 0.119 8 0 "[ . 1]" 1
175 1 13 LEU HA 1 14 ALA H . . 3.230 2.106 2.084 2.125 . 0 0 "[ . 1]" 1
176 1 13 LEU HA 1 14 ALA MB . . 5.340 4.022 3.984 4.064 . 0 0 "[ . 1]" 1
177 1 13 LEU HA 1 113 LEU HB3 . . 5.990 5.803 5.278 6.137 0.147 4 0 "[ . 1]" 1
178 1 13 LEU HA 1 114 GLN H . . 5.100 3.628 3.284 3.907 . 0 0 "[ . 1]" 1
179 1 13 LEU HA 1 114 GLN QG . . 6.810 5.680 4.880 6.153 . 0 0 "[ . 1]" 1
180 1 13 LEU HA 1 116 ALA H . . 4.190 4.196 3.995 4.281 0.091 3 0 "[ . 1]" 1
181 1 13 LEU QB 1 14 ALA H . . 4.480 3.597 3.315 3.869 . 0 0 "[ . 1]" 1
182 1 13 LEU QB 1 114 GLN H . . 6.370 5.153 4.645 5.494 . 0 0 "[ . 1]" 1
183 1 13 LEU QB 1 116 ALA H . . 5.950 4.603 4.214 5.075 . 0 0 "[ . 1]" 1
184 1 13 LEU QD 1 114 GLN HE22 . . 8.940 6.424 5.139 7.477 . 0 0 "[ . 1]" 1
185 1 13 LEU HG 1 14 ALA H . . 6.290 3.656 3.370 3.878 . 0 0 "[ . 1]" 1
186 1 13 LEU HG 1 115 VAL HA . . 4.590 3.953 3.312 4.301 . 0 0 "[ . 1]" 1
187 1 13 LEU HG 1 116 ALA H . . 4.330 4.053 3.456 4.365 0.035 6 0 "[ . 1]" 1
188 1 13 LEU HG 1 116 ALA HA . . 4.890 4.864 4.536 4.975 0.085 10 0 "[ . 1]" 1
189 1 14 ALA H 1 15 LYS H . . 5.470 4.323 4.178 4.416 . 0 0 "[ . 1]" 1
190 1 14 ALA H 1 18 GLU QB . . 7.870 6.390 5.974 6.849 . 0 0 "[ . 1]" 1
191 1 14 ALA H 1 21 LEU H . . 6.180 6.146 5.973 6.291 0.111 3 0 "[ . 1]" 1
192 1 14 ALA H 1 21 LEU MD1 . . 9.180 9.074 7.577 9.311 0.131 10 0 "[ . 1]" 1
193 1 14 ALA H 1 88 VAL QG . . 6.190 4.347 4.063 5.174 . 0 0 "[ . 1]" 1
194 1 14 ALA H 1 114 GLN H . . 5.210 4.776 4.326 5.218 0.008 5 0 "[ . 1]" 1
195 1 14 ALA H 1 114 GLN QB . . 6.200 5.056 4.499 5.383 . 0 0 "[ . 1]" 1
196 1 14 ALA H 1 115 VAL H . . 5.450 4.709 4.410 4.914 . 0 0 "[ . 1]" 1
197 1 14 ALA H 1 115 VAL HA . . 3.470 2.142 1.979 2.286 . 0 0 "[ . 1]" 1
198 1 14 ALA H 1 115 VAL HB . . 5.840 4.192 3.781 4.942 . 0 0 "[ . 1]" 1
199 1 14 ALA H 1 115 VAL MG1 . . 5.390 3.201 2.811 3.555 . 0 0 "[ . 1]" 1
200 1 14 ALA H 1 115 VAL MG2 . . 6.630 4.415 2.565 5.071 . 0 0 "[ . 1]" 1
201 1 14 ALA HA 1 15 LYS H . . 3.520 2.287 2.145 2.688 . 0 0 "[ . 1]" 1
202 1 14 ALA MB 1 15 LYS HA . . 5.730 4.323 4.013 4.443 . 0 0 "[ . 1]" 1
203 1 14 ALA MB 1 20 ALA HA . . 3.730 2.452 2.115 2.958 . 0 0 "[ . 1]" 1
204 1 14 ALA MB 1 116 ALA H . . 5.810 4.241 4.115 4.476 . 0 0 "[ . 1]" 1
205 1 15 LYS H 1 15 LYS HB2 . . 4.070 2.585 2.185 3.669 . 0 0 "[ . 1]" 1
206 1 15 LYS H 1 115 VAL HB . . 5.880 5.480 5.166 6.002 0.122 3 0 "[ . 1]" 1
207 1 15 LYS H 1 116 ALA H . . 5.240 4.330 3.909 4.909 . 0 0 "[ . 1]" 1
208 1 15 LYS HA 1 16 VAL H . . 3.300 2.242 2.190 2.297 . 0 0 "[ . 1]" 1
209 1 15 LYS HA 1 115 VAL MG1 . . 6.300 4.436 2.000 5.247 . 0 0 "[ . 1]" 1
210 1 15 LYS HB2 1 16 VAL H . . 4.520 3.927 2.678 4.185 . 0 0 "[ . 1]" 1
211 1 15 LYS HB2 1 116 ALA MB . . 4.950 3.877 2.483 4.999 0.049 2 0 "[ . 1]" 1
212 1 15 LYS HB3 1 16 VAL H . . 4.380 3.223 2.841 4.009 . 0 0 "[ . 1]" 1
213 1 15 LYS HB3 1 116 ALA H . . 5.350 5.215 4.321 5.453 0.103 5 0 "[ . 1]" 1
214 1 16 VAL H 1 16 VAL MG2 . . 4.800 3.462 2.094 3.790 . 0 0 "[ . 1]" 1
215 1 16 VAL H 1 17 GLY H . . 4.810 4.586 4.557 4.615 . 0 0 "[ . 1]" 1
216 1 16 VAL H 1 17 GLY HA3 . . 6.080 5.659 5.594 5.736 . 0 0 "[ . 1]" 1
217 1 16 VAL H 1 115 VAL MG1 . . 6.490 4.801 2.314 5.638 . 0 0 "[ . 1]" 1
218 1 16 VAL H 1 116 ALA H . . 4.610 4.329 3.959 4.621 0.011 3 0 "[ . 1]" 1
219 1 16 VAL H 1 116 ALA MB . . 5.350 3.767 3.410 4.454 . 0 0 "[ . 1]" 1
220 1 16 VAL H 1 116 ALA O . . 2.720 2.232 1.877 2.334 . 0 0 "[ . 1]" 1
221 1 16 VAL H 1 117 ALA HA . . 3.980 3.684 3.356 3.990 0.010 9 0 "[ . 1]" 1
222 1 16 VAL H 1 117 ALA MB . . 6.330 5.065 4.833 5.344 . 0 0 "[ . 1]" 1
223 1 16 VAL HA 1 17 GLY H . . 3.320 2.164 2.136 2.202 . 0 0 "[ . 1]" 1
224 1 16 VAL HA 1 18 GLU H . . 4.160 3.310 3.250 3.405 . 0 0 "[ . 1]" 1
225 1 16 VAL HA 1 88 VAL H . . 5.310 4.473 3.921 5.041 . 0 0 "[ . 1]" 1
226 1 16 VAL HA 1 88 VAL HB . . 4.930 4.168 2.622 4.969 0.039 4 0 "[ . 1]" 1
227 1 16 VAL HA 1 88 VAL MG1 . . 5.440 2.902 1.932 4.479 . 0 0 "[ . 1]" 1
228 1 16 VAL HA 1 88 VAL QG . . 4.910 2.614 1.926 4.257 . 0 0 "[ . 1]" 1
229 1 16 VAL HA 1 89 GLN HA . . 5.420 3.200 2.685 3.505 . 0 0 "[ . 1]" 1
230 1 16 VAL HA 1 115 VAL HB . . 4.450 4.243 3.997 4.569 0.119 2 0 "[ . 1]" 1
231 1 16 VAL HB 1 17 GLY H . . 4.630 4.024 2.895 4.232 . 0 0 "[ . 1]" 1
232 1 16 VAL HB 1 89 GLN HE21 . . 6.560 6.688 6.326 7.301 0.741 6 1 "[ .+ 1]" 1
233 1 16 VAL HB 1 115 VAL MG1 . . 6.470 5.168 3.129 6.208 . 0 0 "[ . 1]" 1
234 1 16 VAL HB 1 117 ALA HA . . 4.680 3.491 2.893 4.690 0.010 3 0 "[ . 1]" 1
235 1 16 VAL QG 1 88 VAL H . . 7.290 4.970 4.543 5.471 . 0 0 "[ . 1]" 1
236 1 16 VAL QG 1 115 VAL H . . 9.460 6.552 4.745 7.237 . 0 0 "[ . 1]" 1
237 1 16 VAL QG 1 116 ALA H . . 8.180 5.173 4.262 5.592 . 0 0 "[ . 1]" 1
238 1 16 VAL MG2 1 17 GLY H . . 4.100 2.745 2.364 3.820 . 0 0 "[ . 1]" 1
239 1 16 VAL MG2 1 89 GLN HA . . 3.910 2.253 1.991 4.065 0.155 3 0 "[ . 1]" 1
240 1 16 VAL N 1 116 ALA O . . 3.650 3.100 2.782 3.258 . 0 0 "[ . 1]" 1
241 1 17 GLY H 1 18 GLU H . . 3.860 2.668 2.618 2.698 . 0 0 "[ . 1]" 1
242 1 17 GLY H 1 87 GLN QB . . 6.050 4.509 3.997 5.078 . 0 0 "[ . 1]" 1
243 1 17 GLY H 1 88 VAL H . . 4.800 3.498 2.919 3.891 . 0 0 "[ . 1]" 1
244 1 17 GLY H 1 88 VAL HB . . 5.060 4.442 3.066 5.090 0.030 10 0 "[ . 1]" 1
245 1 17 GLY H 1 88 VAL MG1 . . 5.630 3.518 2.502 4.874 . 0 0 "[ . 1]" 1
246 1 17 GLY H 1 88 VAL QG . . 5.440 3.177 2.420 4.493 . 0 0 "[ . 1]" 1
247 1 17 GLY H 1 88 VAL O . . 2.550 2.027 1.886 2.236 . 0 0 "[ . 1]" 1
248 1 17 GLY H 1 89 GLN HA . . 5.540 3.928 3.339 4.384 . 0 0 "[ . 1]" 1
249 1 17 GLY H 1 89 GLN HG3 . . 5.660 4.916 4.444 5.149 . 0 0 "[ . 1]" 1
250 1 17 GLY HA3 1 18 GLU H . . 4.310 3.051 2.936 3.134 . 0 0 "[ . 1]" 1
251 1 17 GLY N 1 88 VAL O . . 3.650 2.967 2.844 3.195 . 0 0 "[ . 1]" 1
252 1 18 GLU H 1 88 VAL H . . 4.880 3.871 3.440 4.103 . 0 0 "[ . 1]" 1
253 1 18 GLU H 1 88 VAL MG1 . . 6.920 3.826 2.671 5.618 . 0 0 "[ . 1]" 1
254 1 18 GLU H 1 88 VAL MG2 . . 7.050 4.849 2.499 5.554 . 0 0 "[ . 1]" 1
255 1 18 GLU H 1 115 VAL MG1 . . 8.450 5.925 4.098 6.509 . 0 0 "[ . 1]" 1
256 1 18 GLU HA 1 19 ASP H . . 3.510 2.396 2.301 2.464 . 0 0 "[ . 1]" 1
257 1 18 GLU HA 1 19 ASP HA . . 4.610 4.329 4.318 4.347 . 0 0 "[ . 1]" 1
258 1 18 GLU HA 1 19 ASP HB3 . . 5.280 4.562 4.492 4.620 . 0 0 "[ . 1]" 1
259 1 18 GLU HA 1 87 GLN QB . . 7.340 5.957 5.561 6.334 . 0 0 "[ . 1]" 1
260 1 18 GLU HA 1 88 VAL H . . 4.670 4.512 4.338 4.674 0.004 2 0 "[ . 1]" 1
261 1 18 GLU QB 1 19 ASP H . . 3.830 2.744 2.385 3.503 . 0 0 "[ . 1]" 1
262 1 18 GLU QB 1 19 ASP HA . . 5.170 4.533 4.361 4.890 . 0 0 "[ . 1]" 1
263 1 18 GLU QB 1 88 VAL H . . 5.660 4.731 4.576 4.984 . 0 0 "[ . 1]" 1
264 1 19 ASP H 1 19 ASP HB2 . . 3.920 3.613 3.591 3.631 . 0 0 "[ . 1]" 1
265 1 19 ASP H 1 19 ASP HB3 . . 3.830 2.658 2.603 2.695 . 0 0 "[ . 1]" 1
266 1 19 ASP H 1 20 ALA H . . 4.900 4.634 4.617 4.662 . 0 0 "[ . 1]" 1
267 1 19 ASP H 1 20 ALA MB . . 7.040 5.499 5.305 5.644 . 0 0 "[ . 1]" 1
268 1 19 ASP H 1 85 ILE MG . . 7.550 5.987 5.863 6.238 . 0 0 "[ . 1]" 1
269 1 19 ASP H 1 87 GLN HE22 . . 5.200 5.015 4.750 5.256 0.056 5 0 "[ . 1]" 1
270 1 19 ASP H 1 88 VAL QG . . 7.290 4.334 3.991 4.672 . 0 0 "[ . 1]" 1
271 1 19 ASP HA 1 20 ALA H . . 3.520 2.335 2.271 2.364 . 0 0 "[ . 1]" 1
272 1 19 ASP HA 1 20 ALA MB . . 5.360 3.880 3.826 3.977 . 0 0 "[ . 1]" 1
273 1 19 ASP HA 1 86 ARG HA . . 4.270 2.511 2.159 2.759 . 0 0 "[ . 1]" 1
274 1 19 ASP HA 1 87 GLN H . . 4.610 2.857 2.676 3.035 . 0 0 "[ . 1]" 1
275 1 19 ASP HA 1 88 VAL H . . 4.740 2.919 2.706 3.259 . 0 0 "[ . 1]" 1
276 1 19 ASP HB2 1 20 ALA H . . 4.560 2.629 2.589 2.823 . 0 0 "[ . 1]" 1
277 1 19 ASP HB2 1 85 ILE H . . 5.200 3.687 3.459 3.901 . 0 0 "[ . 1]" 1
278 1 19 ASP HB3 1 20 ALA H . . 4.220 3.874 3.835 3.977 . 0 0 "[ . 1]" 1
279 1 19 ASP HB3 1 86 ARG H . . 4.840 4.898 4.798 4.966 0.126 3 0 "[ . 1]" 1
280 1 19 ASP HB3 1 86 ARG HA . . 5.280 2.312 2.178 2.492 . 0 0 "[ . 1]" 1
281 1 19 ASP HB3 1 87 GLN HE21 . . 4.630 4.612 4.449 4.814 0.184 7 0 "[ . 1]" 1
282 1 19 ASP HB3 1 87 GLN HE22 . . 5.230 5.029 4.299 5.364 0.134 3 0 "[ . 1]" 1
283 1 20 ALA H 1 21 LEU H . . 4.820 4.484 4.446 4.506 . 0 0 "[ . 1]" 1
284 1 20 ALA H 1 21 LEU MD1 . . 6.860 5.518 3.779 6.341 . 0 0 "[ . 1]" 1
285 1 20 ALA H 1 84 LYS HA . . 5.240 4.749 4.512 4.942 . 0 0 "[ . 1]" 1
286 1 20 ALA H 1 85 ILE HA . . 4.930 4.746 4.594 4.954 0.024 2 0 "[ . 1]" 1
287 1 20 ALA H 1 85 ILE HB . . 4.980 4.787 4.647 4.946 . 0 0 "[ . 1]" 1
288 1 20 ALA H 1 85 ILE MG . . 4.920 2.164 2.049 2.474 . 0 0 "[ . 1]" 1
289 1 20 ALA H 1 85 ILE O . . 2.550 1.905 1.828 2.133 . 0 0 "[ . 1]" 1
290 1 20 ALA H 1 86 ARG HA . . 4.870 3.877 3.567 4.124 . 0 0 "[ . 1]" 1
291 1 20 ALA H 1 87 GLN H . . 5.190 4.967 4.757 5.172 . 0 0 "[ . 1]" 1
292 1 20 ALA H 1 88 VAL HA . . 5.420 5.186 4.930 5.488 0.068 2 0 "[ . 1]" 1
293 1 20 ALA HA 1 21 LEU H . . 3.440 2.398 2.363 2.436 . 0 0 "[ . 1]" 1
294 1 20 ALA MB 1 21 LEU H . . 3.780 2.443 2.311 2.550 . 0 0 "[ . 1]" 1
295 1 20 ALA MB 1 22 LEU MD1 . . 7.520 4.668 4.397 5.910 . 0 0 "[ . 1]" 1
296 1 20 ALA MB 1 85 ILE HB . . 5.950 4.565 4.353 4.989 . 0 0 "[ . 1]" 1
297 1 20 ALA MB 1 85 ILE MG . . 3.780 2.114 1.958 2.477 . 0 0 "[ . 1]" 1
298 1 20 ALA MB 1 88 VAL H . . 6.220 4.344 3.971 4.746 . 0 0 "[ . 1]" 1
299 1 20 ALA MB 1 115 VAL H . . 7.850 6.009 5.474 6.459 . 0 0 "[ . 1]" 1
300 1 20 ALA N 1 85 ILE O . . 3.650 2.814 2.744 2.978 . 0 0 "[ . 1]" 1
301 1 20 ALA O 1 85 ILE H . . 2.550 2.054 1.884 2.281 . 0 0 "[ . 1]" 1
302 1 20 ALA O 1 85 ILE N . . 3.650 3.026 2.858 3.249 . 0 0 "[ . 1]" 1
303 1 21 LEU H 1 21 LEU HB2 . . 4.380 2.805 2.422 3.048 . 0 0 "[ . 1]" 1
304 1 21 LEU H 1 22 LEU H . . 5.380 4.290 4.122 4.385 . 0 0 "[ . 1]" 1
305 1 21 LEU H 1 85 ILE H . . 5.410 5.127 4.948 5.324 . 0 0 "[ . 1]" 1
306 1 21 LEU H 1 85 ILE MG . . 5.720 4.162 4.010 4.396 . 0 0 "[ . 1]" 1
307 1 21 LEU H 1 113 LEU HB3 . . 5.350 5.444 5.324 5.557 0.207 6 0 "[ . 1]" 1
308 1 21 LEU HA 1 22 LEU MD2 . . 6.340 4.419 3.295 5.180 . 0 0 "[ . 1]" 1
309 1 21 LEU HA 1 83 LEU HG . . 5.580 5.602 5.195 5.698 0.118 10 0 "[ . 1]" 1
310 1 21 LEU HA 1 85 ILE MG . . 5.480 3.706 3.416 3.941 . 0 0 "[ . 1]" 1
311 1 21 LEU HB2 1 82 ALA MB . . 5.810 4.909 4.546 5.097 . 0 0 "[ . 1]" 1
312 1 21 LEU HB2 1 83 LEU H . . 6.190 6.173 6.003 6.334 0.144 10 0 "[ . 1]" 1
313 1 21 LEU MD1 1 22 LEU H . . 5.580 3.157 2.516 4.488 . 0 0 "[ . 1]" 1
314 1 21 LEU MD1 1 72 MET HB2 . . 7.060 4.723 3.657 5.840 . 0 0 "[ . 1]" 1
315 1 21 LEU MD1 1 72 MET ME . . 8.570 4.401 2.872 5.458 . 0 0 "[ . 1]" 1
316 1 21 LEU MD1 1 83 LEU H . . 6.460 3.594 2.873 5.738 . 0 0 "[ . 1]" 1
317 1 21 LEU MD1 1 84 LYS H . . 6.530 4.102 3.617 5.233 . 0 0 "[ . 1]" 1
318 1 21 LEU MD1 1 84 LYS HA . . 3.930 2.797 2.052 3.831 . 0 0 "[ . 1]" 1
319 1 21 LEU MD1 1 84 LYS HB3 . . 5.110 4.543 3.804 5.221 0.111 9 0 "[ . 1]" 1
320 1 21 LEU MD1 1 85 ILE H . . 5.600 4.182 3.527 5.267 . 0 0 "[ . 1]" 1
321 1 22 LEU H 1 22 LEU MD1 . . 4.570 3.707 3.499 3.863 . 0 0 "[ . 1]" 1
322 1 22 LEU H 1 22 LEU MD2 . . 4.550 3.433 2.620 3.818 . 0 0 "[ . 1]" 1
323 1 22 LEU H 1 23 THR H . . 5.760 4.368 4.263 4.556 . 0 0 "[ . 1]" 1
324 1 22 LEU H 1 83 LEU HA . . 5.000 4.882 4.635 5.052 0.052 6 0 "[ . 1]" 1
325 1 22 LEU H 1 83 LEU HG . . 4.940 4.661 4.306 4.857 . 0 0 "[ . 1]" 1
326 1 22 LEU H 1 83 LEU O . . 2.550 2.075 1.885 2.260 . 0 0 "[ . 1]" 1
327 1 22 LEU H 1 84 LYS HA . . 4.660 3.916 3.589 4.141 . 0 0 "[ . 1]" 1
328 1 22 LEU H 1 85 ILE HB . . 5.140 5.141 4.946 5.244 0.104 8 0 "[ . 1]" 1
329 1 22 LEU H 1 85 ILE MG . . 5.130 3.950 3.668 4.151 . 0 0 "[ . 1]" 1
330 1 22 LEU H 1 113 LEU HB3 . . 6.830 6.866 6.631 7.062 0.232 9 0 "[ . 1]" 1
331 1 22 LEU HA 1 22 LEU MD2 . . 4.690 2.486 2.030 4.020 . 0 0 "[ . 1]" 1
332 1 22 LEU HA 1 23 THR H . . 3.540 2.235 2.150 2.274 . 0 0 "[ . 1]" 1
333 1 22 LEU HA 1 23 THR HA . . 5.530 4.442 4.410 4.471 . 0 0 "[ . 1]" 1
334 1 22 LEU HA 1 23 THR MG . . 5.480 3.734 3.547 3.827 . 0 0 "[ . 1]" 1
335 1 22 LEU QB 1 23 THR H . . 4.660 3.391 3.111 3.570 . 0 0 "[ . 1]" 1
336 1 22 LEU QB 1 83 LEU MD1 . . 7.820 5.027 4.662 6.283 . 0 0 "[ . 1]" 1
337 1 22 LEU MD1 1 23 THR H . . 6.950 5.211 3.833 5.475 . 0 0 "[ . 1]" 1
338 1 22 LEU MD1 1 39 TRP H . . 6.020 5.663 5.315 6.254 0.234 10 0 "[ . 1]" 1
339 1 22 LEU MD1 1 39 TRP HD1 . . 6.010 3.281 2.217 4.781 . 0 0 "[ . 1]" 1
340 1 22 LEU MD1 1 41 ARG H . . 6.710 5.826 5.184 6.770 0.060 6 0 "[ . 1]" 1
341 1 22 LEU MD1 1 83 LEU H . . 5.730 4.519 3.181 5.089 . 0 0 "[ . 1]" 1
342 1 22 LEU MD1 1 85 ILE MD . . 6.450 3.536 2.508 4.915 . 0 0 "[ . 1]" 1
343 1 22 LEU MD1 1 96 TYR H . . 7.510 6.231 5.636 6.715 . 0 0 "[ . 1]" 1
344 1 22 LEU MD1 1 96 TYR HB3 . . 5.110 3.817 3.200 4.427 . 0 0 "[ . 1]" 1
345 1 22 LEU MD2 1 41 ARG HA . . 6.780 4.968 4.597 5.386 . 0 0 "[ . 1]" 1
346 1 22 LEU MD2 1 83 LEU HB2 . . 6.930 5.887 4.316 6.283 . 0 0 "[ . 1]" 1
347 1 22 LEU MD2 1 85 ILE MG . . 5.650 3.135 1.922 3.934 . 0 0 "[ . 1]" 1
348 1 22 LEU MD2 1 95 GLN HA . . 7.840 5.832 5.237 7.107 . 0 0 "[ . 1]" 1
349 1 22 LEU MD2 1 96 TYR H . . 7.240 5.195 4.322 6.060 . 0 0 "[ . 1]" 1
350 1 22 LEU MD2 1 111 VAL HB . . 6.640 5.179 3.600 6.792 0.152 6 0 "[ . 1]" 1
351 1 22 LEU MD2 1 111 VAL MG1 . . 7.850 4.785 3.542 5.954 . 0 0 "[ . 1]" 1
352 1 22 LEU MD2 1 111 VAL MG2 . . 8.450 5.138 3.060 6.397 . 0 0 "[ . 1]" 1
353 1 22 LEU MD2 1 113 LEU HB3 . . 5.220 3.725 3.061 5.182 . 0 0 "[ . 1]" 1
354 1 22 LEU N 1 83 LEU O . . 3.650 3.043 2.846 3.236 . 0 0 "[ . 1]" 1
355 1 22 LEU O 1 83 LEU H . . 2.550 1.810 1.747 1.851 . 0 0 "[ . 1]" 1
356 1 22 LEU O 1 83 LEU N . . 3.650 2.747 2.708 2.799 . 0 0 "[ . 1]" 1
357 1 23 THR H 1 23 THR HB . . 4.200 3.296 3.248 3.397 . 0 0 "[ . 1]" 1
358 1 23 THR H 1 23 THR MG . . 3.890 2.262 2.132 2.455 . 0 0 "[ . 1]" 1
359 1 23 THR H 1 24 CYS H . . 4.860 4.433 4.360 4.463 . 0 0 "[ . 1]" 1
360 1 23 THR H 1 24 CYS HB3 . . 5.740 5.089 4.773 5.189 . 0 0 "[ . 1]" 1
361 1 23 THR H 1 82 ALA HA . . 4.560 4.654 4.580 4.727 0.167 1 0 "[ . 1]" 1
362 1 23 THR H 1 82 ALA MB . . 6.090 4.862 4.549 5.201 . 0 0 "[ . 1]" 1
363 1 23 THR H 1 83 LEU H . . 4.880 4.830 4.724 4.900 0.020 2 0 "[ . 1]" 1
364 1 23 THR H 1 111 VAL MG1 . . 4.870 3.084 1.986 4.089 . 0 0 "[ . 1]" 1
365 1 23 THR H 1 111 VAL QG . . 5.090 2.860 1.971 3.134 . 0 0 "[ . 1]" 1
366 1 23 THR H 1 111 VAL MG2 . . 5.730 3.828 3.070 4.392 . 0 0 "[ . 1]" 1
367 1 23 THR HA 1 24 CYS H . . 3.730 2.199 2.149 2.313 . 0 0 "[ . 1]" 1
368 1 23 THR HA 1 39 TRP HD1 . . 5.170 5.181 4.939 5.447 0.277 10 0 "[ . 1]" 1
369 1 23 THR HA 1 82 ALA H . . 5.050 4.860 4.762 4.944 . 0 0 "[ . 1]" 1
370 1 23 THR HA 1 82 ALA MB . . 4.600 3.550 3.237 4.033 . 0 0 "[ . 1]" 1
371 1 23 THR HA 1 83 LEU H . . 3.920 3.572 3.431 3.729 . 0 0 "[ . 1]" 1
372 1 23 THR HA 1 111 VAL MG1 . . 6.920 4.783 4.228 5.060 . 0 0 "[ . 1]" 1
373 1 23 THR HA 1 111 VAL QG . . 6.370 4.264 3.791 4.469 . 0 0 "[ . 1]" 1
374 1 23 THR HA 1 111 VAL MG2 . . 6.520 4.799 4.285 4.974 . 0 0 "[ . 1]" 1
375 1 23 THR HB 1 24 CYS H . . 4.350 3.858 3.717 3.965 . 0 0 "[ . 1]" 1
376 1 23 THR HB 1 82 ALA H . . 5.490 5.009 4.628 5.510 0.020 1 0 "[ . 1]" 1
377 1 23 THR HB 1 82 ALA MB . . 4.670 2.212 1.997 2.575 . 0 0 "[ . 1]" 1
378 1 23 THR HB 1 111 VAL QG . . 7.550 5.018 4.363 5.305 . 0 0 "[ . 1]" 1
379 1 23 THR HB 1 111 VAL MG2 . . 7.900 6.018 5.531 6.301 . 0 0 "[ . 1]" 1
380 1 23 THR MG 1 24 CYS HA . . 5.300 3.836 3.700 3.898 . 0 0 "[ . 1]" 1
381 1 23 THR MG 1 81 VAL H . . 7.290 5.479 5.062 5.820 . 0 0 "[ . 1]" 1
382 1 23 THR MG 1 82 ALA HA . . 5.330 4.212 3.968 4.533 . 0 0 "[ . 1]" 1
383 1 23 THR MG 1 83 LEU H . . 6.650 5.029 4.825 5.306 . 0 0 "[ . 1]" 1
384 1 23 THR MG 1 112 LEU H . . 7.780 6.060 5.338 6.445 . 0 0 "[ . 1]" 1
385 1 24 CYS H 1 25 GLN H . . 5.080 4.412 4.368 4.448 . 0 0 "[ . 1]" 1
386 1 24 CYS H 1 39 TRP HD1 . . 5.990 6.051 5.845 6.154 0.164 8 0 "[ . 1]" 1
387 1 24 CYS H 1 39 TRP HZ2 . . 5.430 5.354 4.983 5.678 0.248 10 0 "[ . 1]" 1
388 1 24 CYS H 1 74 ASP HB2 . . 9.010 7.963 6.771 9.033 0.023 5 0 "[ . 1]" 1
389 1 24 CYS H 1 80 SER HA . . 5.730 4.754 4.510 4.991 . 0 0 "[ . 1]" 1
390 1 24 CYS H 1 81 VAL H . . 5.020 3.124 2.770 3.280 . 0 0 "[ . 1]" 1
391 1 24 CYS H 1 81 VAL O . . 2.650 2.228 2.116 2.353 . 0 0 "[ . 1]" 1
392 1 24 CYS H 1 82 ALA H . . 5.450 5.296 5.190 5.393 . 0 0 "[ . 1]" 1
393 1 24 CYS H 1 82 ALA HA . . 4.100 3.883 3.741 4.116 0.016 3 0 "[ . 1]" 1
394 1 24 CYS HA 1 25 GLN H . . 3.510 2.463 2.416 2.528 . 0 0 "[ . 1]" 1
395 1 24 CYS HA 1 25 GLN QG . . 4.890 3.429 3.297 3.523 . 0 0 "[ . 1]" 1
396 1 24 CYS HB2 1 25 GLN H . . 4.630 2.461 2.306 2.630 . 0 0 "[ . 1]" 1
397 1 24 CYS HB2 1 81 VAL QG . . 7.130 4.874 4.073 5.739 . 0 0 "[ . 1]" 1
398 1 24 CYS HB2 1 81 VAL MG2 . . 6.510 5.329 4.218 6.509 . 0 0 "[ . 1]" 1
399 1 24 CYS HB3 1 25 GLN H . . 4.240 3.819 3.731 3.930 . 0 0 "[ . 1]" 1
400 1 24 CYS HB3 1 39 TRP HD1 . . 5.460 5.150 4.623 5.538 0.078 7 0 "[ . 1]" 1
401 1 24 CYS HB3 1 81 VAL MG2 . . 6.320 5.467 4.300 6.464 0.144 5 0 "[ . 1]" 1
402 1 24 CYS HB3 1 111 VAL H . . 6.180 6.053 5.680 6.247 0.067 7 0 "[ . 1]" 1
403 1 24 CYS N 1 81 VAL O . . 3.650 3.156 3.038 3.284 . 0 0 "[ . 1]" 1
404 1 24 CYS O 1 81 VAL H . . 2.550 2.081 1.945 2.261 . 0 0 "[ . 1]" 1
405 1 24 CYS O 1 81 VAL N . . 3.650 3.040 2.911 3.214 . 0 0 "[ . 1]" 1
406 1 25 GLN H 1 25 GLN QB . . 3.790 2.559 2.439 2.914 . 0 0 "[ . 1]" 1
407 1 25 GLN H 1 25 GLN QG . . 4.760 2.654 2.266 2.869 . 0 0 "[ . 1]" 1
408 1 25 GLN H 1 26 LEU H . . 6.010 4.349 4.307 4.417 . 0 0 "[ . 1]" 1
409 1 25 GLN H 1 26 LEU HA . . 5.370 5.149 5.072 5.204 . 0 0 "[ . 1]" 1
410 1 25 GLN H 1 26 LEU HB3 . . 5.210 5.078 4.950 5.246 0.036 1 0 "[ . 1]" 1
411 1 25 GLN H 1 26 LEU HG . . 5.590 5.502 5.205 5.641 0.051 7 0 "[ . 1]" 1
412 1 25 GLN H 1 80 SER HA . . 4.890 4.907 4.678 5.067 0.177 3 0 "[ . 1]" 1
413 1 25 GLN HA 1 26 LEU H . . 3.470 2.131 2.086 2.178 . 0 0 "[ . 1]" 1
414 1 25 GLN HA 1 26 LEU HB3 . . 5.170 4.710 4.592 4.821 . 0 0 "[ . 1]" 1
415 1 25 GLN HA 1 26 LEU HG . . 6.040 3.760 3.671 3.821 . 0 0 "[ . 1]" 1
416 1 25 GLN HA 1 76 THR MG . . 8.210 7.107 5.859 8.276 0.066 3 0 "[ . 1]" 1
417 1 25 GLN HA 1 80 SER H . . 4.690 4.667 4.357 4.823 0.133 3 0 "[ . 1]" 1
418 1 25 GLN HA 1 81 VAL MG1 . . 7.480 5.367 3.647 6.610 . 0 0 "[ . 1]" 1
419 1 25 GLN HA 1 81 VAL QG . . 6.420 4.070 3.621 4.623 . 0 0 "[ . 1]" 1
420 1 25 GLN HA 1 81 VAL MG2 . . 6.030 4.457 3.811 6.155 0.125 4 0 "[ . 1]" 1
421 1 25 GLN QB 1 26 LEU H . . 4.800 3.343 3.224 3.400 . 0 0 "[ . 1]" 1
422 1 25 GLN QB 1 80 SER HA . . 4.860 3.908 3.708 4.241 . 0 0 "[ . 1]" 1
423 1 25 GLN QG 1 80 SER QB . . 5.370 3.040 2.055 4.615 . 0 0 "[ . 1]" 1
424 1 25 GLN QG 1 81 VAL H . . 5.890 4.630 4.022 5.647 . 0 0 "[ . 1]" 1
425 1 26 LEU H 1 26 LEU HB2 . . 4.180 3.862 3.854 3.877 . 0 0 "[ . 1]" 1
426 1 26 LEU H 1 26 LEU MD1 . . 5.130 3.271 2.975 3.489 . 0 0 "[ . 1]" 1
427 1 26 LEU H 1 26 LEU HG . . 3.900 2.068 2.021 2.153 . 0 0 "[ . 1]" 1
428 1 26 LEU H 1 79 GLY H . . 6.230 6.189 5.980 6.287 0.057 8 0 "[ . 1]" 1
429 1 26 LEU H 1 79 GLY HA2 . . 5.230 4.824 4.505 5.136 . 0 0 "[ . 1]" 1
430 1 26 LEU H 1 79 GLY O . . 2.550 2.257 1.893 2.445 . 0 0 "[ . 1]" 1
431 1 26 LEU H 1 80 SER H . . 4.920 4.751 4.614 4.892 . 0 0 "[ . 1]" 1
432 1 26 LEU H 1 80 SER HA . . 3.470 2.817 2.583 3.005 . 0 0 "[ . 1]" 1
433 1 26 LEU H 1 81 VAL H . . 5.130 4.027 3.812 4.232 . 0 0 "[ . 1]" 1
434 1 26 LEU H 1 81 VAL MG1 . . 6.630 4.890 3.596 6.257 . 0 0 "[ . 1]" 1
435 1 26 LEU H 1 81 VAL QG . . 5.850 3.585 3.277 3.761 . 0 0 "[ . 1]" 1
436 1 26 LEU HB2 1 27 LEU H . . 3.770 2.672 2.294 2.774 . 0 0 "[ . 1]" 1
437 1 26 LEU HB3 1 80 SER HA . . 5.700 5.736 5.539 5.830 0.130 3 0 "[ . 1]" 1
438 1 26 LEU HB3 1 98 CYS HB3 . . 5.710 5.565 4.730 5.740 0.030 6 0 "[ . 1]" 1
439 1 26 LEU MD1 1 27 LEU H . . 5.090 3.336 3.080 3.417 . 0 0 "[ . 1]" 1
440 1 26 LEU MD1 1 35 MET ME . . 8.230 5.372 4.558 5.857 . 0 0 "[ . 1]" 1
441 1 26 LEU MD1 1 101 GLN H . . 9.280 6.386 5.897 7.115 . 0 0 "[ . 1]" 1
442 1 26 LEU HG 1 81 VAL H . . 5.010 3.994 3.655 4.334 . 0 0 "[ . 1]" 1
443 1 26 LEU N 1 79 GLY O . . 3.650 3.149 2.782 3.331 . 0 0 "[ . 1]" 1
444 1 27 LEU H 1 27 LEU QB . . 3.730 2.529 2.293 3.148 . 0 0 "[ . 1]" 1
445 1 27 LEU QB 1 28 PRO HA . . 5.850 4.824 4.645 5.003 . 0 0 "[ . 1]" 1
446 1 27 LEU QB 1 79 GLY H . . 9.280 7.416 6.888 8.824 . 0 0 "[ . 1]" 1
447 1 28 PRO HA 1 29 LYS H . . 3.270 2.247 2.076 2.343 . 0 0 "[ . 1]" 1
448 1 28 PRO HA 1 35 MET QG . . 8.330 4.402 3.143 8.383 0.053 5 0 "[ . 1]" 1
449 1 28 PRO HB2 1 29 LYS H . . 4.410 3.230 2.926 4.015 . 0 0 "[ . 1]" 1
450 1 28 PRO HB2 1 32 THR H . . 6.620 5.632 4.824 6.752 0.132 5 0 "[ . 1]" 1
451 1 28 PRO HB2 1 35 MET ME . . 5.620 3.287 2.143 4.930 . 0 0 "[ . 1]" 1
452 1 29 LYS H 1 29 LYS QB . . 3.550 2.351 2.256 2.774 . 0 0 "[ . 1]" 1
453 1 29 LYS H 1 29 LYS QD . . 5.200 4.289 3.766 4.642 . 0 0 "[ . 1]" 1
454 1 29 LYS H 1 29 LYS QG . . 4.850 3.324 2.181 4.040 . 0 0 "[ . 1]" 1
455 1 29 LYS H 1 30 ARG H . . 4.610 2.559 2.235 2.684 . 0 0 "[ . 1]" 1
456 1 29 LYS H 1 32 THR HB . . 7.320 7.458 7.328 7.606 0.286 3 0 "[ . 1]" 1
457 1 29 LYS HA 1 30 ARG H . . 3.980 3.502 3.400 3.540 . 0 0 "[ . 1]" 1
458 1 29 LYS HA 1 30 ARG HB3 . . 6.220 5.369 4.623 5.990 . 0 0 "[ . 1]" 1
459 1 29 LYS HA 1 35 MET ME . . 5.330 4.435 4.054 5.191 . 0 0 "[ . 1]" 1
460 1 29 LYS QB 1 30 ARG H . . 4.470 2.617 2.308 3.597 . 0 0 "[ . 1]" 1
461 1 29 LYS QD 1 30 ARG H . . 5.540 4.730 3.878 5.681 0.141 5 0 "[ . 1]" 1
462 1 29 LYS QD 1 33 ALA H . . 9.450 9.063 7.086 9.609 0.159 2 0 "[ . 1]" 1
463 1 29 LYS QE 1 30 ARG H . . 5.380 4.873 3.661 5.495 0.115 8 0 "[ . 1]" 1
464 1 29 LYS QE 1 35 MET ME . . 9.530 4.502 1.992 7.935 . 0 0 "[ . 1]" 1
465 1 30 ARG H 1 30 ARG HB3 . . 3.940 3.274 2.713 3.676 . 0 0 "[ . 1]" 1
466 1 30 ARG H 1 30 ARG QG . . 4.980 3.754 2.431 4.387 . 0 0 "[ . 1]" 1
467 1 30 ARG H 1 35 MET ME . . 7.620 2.732 1.873 5.755 . 0 0 "[ . 1]" 1
468 1 30 ARG HA 1 31 THR H . . 3.340 2.274 2.134 2.730 . 0 0 "[ . 1]" 1
469 1 30 ARG HB3 1 31 THR H . . 4.600 3.868 2.688 4.237 . 0 0 "[ . 1]" 1
470 1 30 ARG QD 1 34 HIS H . . 9.980 7.800 5.619 9.499 . 0 0 "[ . 1]" 1
471 1 30 ARG QG 1 31 THR H . . 4.180 2.978 1.823 4.409 0.229 2 0 "[ . 1]" 1
472 1 30 ARG QG 1 31 THR HB . . 4.800 4.186 3.057 4.938 0.138 9 0 "[ . 1]" 1
473 1 31 THR H 1 31 THR HB . . 3.970 3.534 2.669 4.044 0.074 3 0 "[ . 1]" 1
474 1 31 THR H 1 32 THR H . . 4.610 4.288 2.378 4.692 0.082 10 0 "[ . 1]" 1
475 1 31 THR HB 1 32 THR H . . 4.860 3.314 1.974 4.179 . 0 0 "[ . 1]" 1
476 1 32 THR HA 1 33 ALA H . . 4.160 2.887 2.739 2.968 . 0 0 "[ . 1]" 1
477 1 32 THR HA 1 35 MET H . . 4.920 3.020 2.630 3.415 . 0 0 "[ . 1]" 1
478 1 32 THR HA 1 35 MET ME . . 7.150 3.515 2.031 4.164 . 0 0 "[ . 1]" 1
479 1 32 THR O 1 54 GLY H . . 2.970 2.480 2.432 2.552 . 0 0 "[ . 1]" 1
480 1 32 THR O 1 54 GLY N . . 3.650 2.989 2.780 3.150 . 0 0 "[ . 1]" 1
481 1 33 ALA H 1 33 ALA MB . . 3.430 2.211 2.158 2.240 . 0 0 "[ . 1]" 1
482 1 33 ALA H 1 34 HIS H . . 4.690 2.656 2.608 2.734 . 0 0 "[ . 1]" 1
483 1 33 ALA HA 1 34 HIS H . . 5.180 3.535 3.477 3.548 . 0 0 "[ . 1]" 1
484 1 33 ALA HA 1 54 GLY H . . 4.330 4.049 3.827 4.420 0.090 4 0 "[ . 1]" 1
485 1 33 ALA MB 1 54 GLY H . . 6.700 5.388 5.198 5.667 . 0 0 "[ . 1]" 1
486 1 33 ALA MB 1 54 GLY HA2 . . 8.070 6.139 5.430 6.429 . 0 0 "[ . 1]" 1
487 1 34 HIS H 1 35 MET H . . 5.110 2.352 1.981 2.700 . 0 0 "[ . 1]" 1
488 1 34 HIS H 1 35 MET HA . . 5.110 4.724 4.597 4.850 . 0 0 "[ . 1]" 1
489 1 34 HIS H 1 52 ARG QD . . 8.870 8.132 7.416 8.955 0.085 7 0 "[ . 1]" 1
490 1 34 HIS HA 1 53 ASP H . . 4.490 4.311 3.934 4.544 0.054 3 0 "[ . 1]" 1
491 1 34 HIS HA 1 53 ASP HB2 . . 4.850 4.669 4.230 5.205 0.355 7 0 "[ . 1]" 1
492 1 34 HIS HB3 1 35 MET H . . 5.570 4.285 3.578 4.454 . 0 0 "[ . 1]" 1
493 1 34 HIS HB3 1 35 MET HA . . 5.070 4.733 4.360 4.822 . 0 0 "[ . 1]" 1
494 1 34 HIS HB3 1 35 MET ME . . 7.420 5.026 3.863 6.210 . 0 0 "[ . 1]" 1
495 1 35 MET H 1 53 ASP H . . 5.910 3.573 3.090 4.153 . 0 0 "[ . 1]" 1
496 1 35 MET H 1 53 ASP HA . . 4.930 3.697 3.521 3.952 . 0 0 "[ . 1]" 1
497 1 35 MET H 1 54 GLY H . . 5.980 4.636 4.449 4.871 . 0 0 "[ . 1]" 1
498 1 35 MET HA 1 36 GLU H . . 3.560 2.250 2.208 2.277 . 0 0 "[ . 1]" 1
499 1 35 MET HA 1 101 GLN H . . 4.800 4.818 4.700 5.016 0.216 8 0 "[ . 1]" 1
500 1 35 MET HA 1 101 GLN QG . . 6.420 5.521 4.854 6.442 0.022 10 0 "[ . 1]" 1
501 1 35 MET HA 1 102 GLU HB2 . . 5.600 3.988 3.532 4.548 . 0 0 "[ . 1]" 1
502 1 35 MET QB 1 36 GLU H . . 4.250 2.788 2.668 2.941 . 0 0 "[ . 1]" 1
503 1 35 MET QB 1 36 GLU HA . . 5.460 4.090 3.934 4.145 . 0 0 "[ . 1]" 1
504 1 35 MET QB 1 101 GLN H . . 6.250 4.628 4.393 4.936 . 0 0 "[ . 1]" 1
505 1 35 MET ME 1 36 GLU H . . 6.490 5.666 5.372 5.926 . 0 0 "[ . 1]" 1
506 1 35 MET ME 1 100 PHE HB2 . . 9.350 7.549 7.282 7.750 . 0 0 "[ . 1]" 1
507 1 35 MET ME 1 101 GLN H . . 8.410 6.837 6.382 7.140 . 0 0 "[ . 1]" 1
508 1 35 MET ME 1 101 GLN QG . . 10.350 7.406 6.873 8.289 . 0 0 "[ . 1]" 1
509 1 35 MET ME 1 102 GLU H . . 8.310 6.458 5.824 6.935 . 0 0 "[ . 1]" 1
510 1 35 MET ME 1 102 GLU HA . . 5.470 4.952 4.291 5.482 0.012 5 0 "[ . 1]" 1
511 1 35 MET ME 1 102 GLU HB2 . . 5.280 3.629 2.627 4.267 . 0 0 "[ . 1]" 1
512 1 35 MET QG 1 36 GLU H . . 5.420 3.919 3.478 4.528 . 0 0 "[ . 1]" 1
513 1 35 MET O 1 53 ASP H . . 2.880 2.358 2.167 2.446 . 0 0 "[ . 1]" 1
514 1 35 MET O 1 53 ASP N . . 3.760 3.253 2.995 3.368 . 0 0 "[ . 1]" 1
515 1 36 GLU H 1 36 GLU QB . . 3.710 2.688 2.569 3.302 . 0 0 "[ . 1]" 1
516 1 36 GLU H 1 37 VAL H . . 4.790 4.358 4.206 4.442 . 0 0 "[ . 1]" 1
517 1 36 GLU H 1 37 VAL HA . . 5.140 4.856 4.685 4.943 . 0 0 "[ . 1]" 1
518 1 36 GLU H 1 37 VAL MG2 . . 5.410 4.085 3.777 5.155 . 0 0 "[ . 1]" 1
519 1 36 GLU H 1 52 ARG HB2 . . 6.040 5.856 5.511 6.171 0.131 8 0 "[ . 1]" 1
520 1 36 GLU H 1 100 PHE HA . . 4.460 4.553 4.458 4.672 0.212 10 0 "[ . 1]" 1
521 1 36 GLU H 1 101 GLN H . . 4.490 3.021 2.931 3.153 . 0 0 "[ . 1]" 1
522 1 36 GLU H 1 101 GLN QB . . 4.190 3.248 2.920 3.731 . 0 0 "[ . 1]" 1
523 1 36 GLU H 1 101 GLN QG . . 5.560 4.693 4.326 5.030 . 0 0 "[ . 1]" 1
524 1 36 GLU H 1 101 GLN O . . 2.550 2.369 2.245 2.417 . 0 0 "[ . 1]" 1
525 1 36 GLU H 1 102 GLU H . . 5.460 5.399 5.284 5.463 0.003 1 0 "[ . 1]" 1
526 1 36 GLU HA 1 37 VAL H . . 3.560 2.190 2.165 2.239 . 0 0 "[ . 1]" 1
527 1 36 GLU HA 1 37 VAL HA . . 4.740 4.425 4.393 4.446 . 0 0 "[ . 1]" 1
528 1 36 GLU HA 1 37 VAL MG2 . . 5.110 3.551 3.489 3.634 . 0 0 "[ . 1]" 1
529 1 36 GLU HA 1 50 MET HB2 . . 4.940 4.951 4.756 5.089 0.149 8 0 "[ . 1]" 1
530 1 36 GLU HA 1 51 TYR H . . 4.540 4.530 4.396 4.651 0.111 4 0 "[ . 1]" 1
531 1 36 GLU HA 1 51 TYR HA . . 5.580 5.424 5.332 5.512 . 0 0 "[ . 1]" 1
532 1 36 GLU HA 1 52 ARG HA . . 3.850 2.456 2.338 2.640 . 0 0 "[ . 1]" 1
533 1 36 GLU HA 1 52 ARG HB2 . . 5.390 3.566 3.185 4.018 . 0 0 "[ . 1]" 1
534 1 36 GLU HA 1 52 ARG HB3 . . 5.480 4.159 2.870 5.231 . 0 0 "[ . 1]" 1
535 1 36 GLU HA 1 53 ASP H . . 5.020 3.977 3.505 4.174 . 0 0 "[ . 1]" 1
536 1 36 GLU HA 1 101 GLN QB . . 5.610 4.667 4.294 5.072 . 0 0 "[ . 1]" 1
537 1 36 GLU QB 1 100 PHE HA . . 5.920 5.183 4.837 5.620 . 0 0 "[ . 1]" 1
538 1 36 GLU QB 1 101 GLN H . . 4.650 3.616 3.257 4.420 . 0 0 "[ . 1]" 1
539 1 36 GLU QB 1 101 GLN HA . . 6.210 4.981 4.758 6.222 0.012 8 0 "[ . 1]" 1
540 1 36 GLU QB 1 102 GLU H . . 7.080 5.817 5.380 7.008 . 0 0 "[ . 1]" 1
541 1 36 GLU QG 1 37 VAL H . . 5.130 3.529 2.245 4.366 . 0 0 "[ . 1]" 1
542 1 36 GLU N 1 101 GLN O . . 3.650 3.271 3.161 3.344 . 0 0 "[ . 1]" 1
543 1 36 GLU O 1 101 GLN H . . 2.550 2.013 1.854 2.162 . 0 0 "[ . 1]" 1
544 1 36 GLU O 1 101 GLN N . . 3.650 2.968 2.823 3.106 . 0 0 "[ . 1]" 1
545 1 37 VAL H 1 37 VAL HB . . 3.910 2.807 2.632 3.849 . 0 0 "[ . 1]" 1
546 1 37 VAL H 1 37 VAL MG2 . . 4.030 2.740 2.278 2.827 . 0 0 "[ . 1]" 1
547 1 37 VAL H 1 51 TYR HB2 . . 4.480 4.493 4.254 4.606 0.126 4 0 "[ . 1]" 1
548 1 37 VAL H 1 51 TYR HB3 . . 3.910 3.150 3.062 3.217 . 0 0 "[ . 1]" 1
549 1 37 VAL H 1 51 TYR O . . 2.680 1.941 1.860 2.106 . 0 0 "[ . 1]" 1
550 1 37 VAL H 1 52 ARG HB2 . . 6.140 4.706 4.160 5.403 . 0 0 "[ . 1]" 1
551 1 37 VAL H 1 52 ARG HB3 . . 5.930 5.073 3.877 5.901 . 0 0 "[ . 1]" 1
552 1 37 VAL HA 1 38 ARG H . . 3.550 2.191 2.141 2.298 . 0 0 "[ . 1]" 1
553 1 37 VAL HA 1 50 MET HB2 . . 5.540 5.351 5.048 5.610 0.070 2 0 "[ . 1]" 1
554 1 37 VAL HA 1 51 TYR HB3 . . 5.210 5.020 4.805 5.397 0.187 8 0 "[ . 1]" 1
555 1 37 VAL HA 1 99 ARG H . . 4.440 4.244 3.704 4.460 0.020 10 0 "[ . 1]" 1
556 1 37 VAL HA 1 99 ARG HB2 . . 5.860 5.315 4.079 5.968 0.108 8 0 "[ . 1]" 1
557 1 37 VAL HA 1 100 PHE HA . . 4.310 3.137 2.764 3.298 . 0 0 "[ . 1]" 1
558 1 37 VAL HA 1 101 GLN H . . 4.650 3.738 3.423 3.937 . 0 0 "[ . 1]" 1
559 1 37 VAL HB 1 39 TRP HZ2 . . 5.210 3.952 3.476 4.431 . 0 0 "[ . 1]" 1
560 1 37 VAL HB 1 81 VAL MG2 . . 6.230 4.407 3.626 5.217 . 0 0 "[ . 1]" 1
561 1 37 VAL MG1 1 38 ARG H . . 4.630 2.787 2.594 3.736 . 0 0 "[ . 1]" 1
562 1 37 VAL MG1 1 51 TYR H . . 5.580 4.138 3.793 4.907 . 0 0 "[ . 1]" 1
563 1 37 VAL MG1 1 81 VAL QG . . 6.040 2.577 2.179 2.975 . 0 0 "[ . 1]" 1
564 1 37 VAL MG1 1 81 VAL MG2 . . 5.270 3.002 2.194 3.742 . 0 0 "[ . 1]" 1
565 1 37 VAL MG1 1 99 ARG H . . 5.250 3.523 3.063 4.696 . 0 0 "[ . 1]" 1
566 1 37 VAL MG1 1 100 PHE H . . 7.460 5.036 4.193 5.377 . 0 0 "[ . 1]" 1
567 1 37 VAL MG1 1 101 GLN H . . 7.440 5.038 3.456 5.396 . 0 0 "[ . 1]" 1
568 1 37 VAL MG2 1 38 ARG H . . 5.540 4.012 3.768 4.059 . 0 0 "[ . 1]" 1
569 1 37 VAL MG2 1 51 TYR H . . 5.400 4.213 2.472 4.573 . 0 0 "[ . 1]" 1
570 1 37 VAL MG2 1 99 ARG H . . 6.980 5.192 4.790 5.375 . 0 0 "[ . 1]" 1
571 1 37 VAL MG2 1 100 PHE H . . 7.020 5.384 4.926 6.547 . 0 0 "[ . 1]" 1
572 1 37 VAL MG2 1 100 PHE HA . . 4.580 3.186 2.687 4.725 0.145 8 0 "[ . 1]" 1
573 1 37 VAL MG2 1 100 PHE HB2 . . 6.090 4.161 3.564 5.535 . 0 0 "[ . 1]" 1
574 1 37 VAL MG2 1 101 GLN H . . 5.640 4.088 3.506 5.427 . 0 0 "[ . 1]" 1
575 1 37 VAL N 1 51 TYR O . . 3.650 2.842 2.748 2.959 . 0 0 "[ . 1]" 1
576 1 37 VAL O 1 51 TYR H . . 2.550 1.985 1.840 2.277 . 0 0 "[ . 1]" 1
577 1 37 VAL O 1 51 TYR N . . 3.650 2.925 2.783 3.164 . 0 0 "[ . 1]" 1
578 1 38 ARG H 1 38 ARG QB . . 3.900 2.550 2.474 2.623 . 0 0 "[ . 1]" 1
579 1 38 ARG H 1 39 TRP H . . 5.620 4.467 4.394 4.505 . 0 0 "[ . 1]" 1
580 1 38 ARG H 1 39 TRP HA . . 5.550 5.072 4.999 5.221 . 0 0 "[ . 1]" 1
581 1 38 ARG H 1 40 TYR QE . . 6.750 4.770 4.528 5.004 . 0 0 "[ . 1]" 1
582 1 38 ARG H 1 99 ARG HA . . 4.910 4.663 4.418 4.794 . 0 0 "[ . 1]" 1
583 1 38 ARG H 1 99 ARG HB3 . . 3.970 3.151 2.410 3.993 0.023 9 0 "[ . 1]" 1
584 1 38 ARG H 1 99 ARG O . . 2.730 2.352 2.277 2.442 . 0 0 "[ . 1]" 1
585 1 38 ARG H 1 100 PHE H . . 5.580 5.246 5.098 5.341 . 0 0 "[ . 1]" 1
586 1 38 ARG H 1 101 GLN H . . 5.320 5.175 4.864 5.377 0.057 6 0 "[ . 1]" 1
587 1 38 ARG H 1 106 TRP HD1 . . 7.750 7.754 7.389 7.874 0.124 8 0 "[ . 1]" 1
588 1 38 ARG HA 1 39 TRP H . . 3.560 2.179 2.146 2.212 . 0 0 "[ . 1]" 1
589 1 38 ARG HA 1 49 ILE H . . 5.570 5.040 4.782 5.347 . 0 0 "[ . 1]" 1
590 1 38 ARG HA 1 50 MET HB3 . . 5.030 3.078 2.832 3.478 . 0 0 "[ . 1]" 1
591 1 38 ARG HA 1 50 MET HG2 . . 5.710 5.434 5.234 5.784 0.074 7 0 "[ . 1]" 1
592 1 38 ARG HA 1 51 TYR H . . 4.690 3.923 3.684 4.119 . 0 0 "[ . 1]" 1
593 1 38 ARG HA 1 99 ARG H . . 5.110 4.864 4.527 5.070 . 0 0 "[ . 1]" 1
594 1 38 ARG QB 1 40 TYR H . . 6.330 5.231 5.048 5.464 . 0 0 "[ . 1]" 1
595 1 38 ARG QB 1 99 ARG H . . 5.410 3.442 3.058 3.732 . 0 0 "[ . 1]" 1
596 1 38 ARG QD 1 99 ARG H . . 6.470 5.515 5.033 6.287 . 0 0 "[ . 1]" 1
597 1 38 ARG QD 1 99 ARG QG . . 5.930 4.398 3.771 5.722 . 0 0 "[ . 1]" 1
598 1 38 ARG QG 1 48 VAL H . . 7.580 6.282 5.869 7.007 . 0 0 "[ . 1]" 1
599 1 38 ARG QG 1 51 TYR H . . 6.850 4.295 3.849 4.810 . 0 0 "[ . 1]" 1
600 1 38 ARG N 1 99 ARG O . . 3.650 3.252 3.128 3.351 . 0 0 "[ . 1]" 1
601 1 38 ARG O 1 99 ARG H . . 2.700 2.328 2.084 2.452 . 0 0 "[ . 1]" 1
602 1 38 ARG O 1 99 ARG N . . 3.650 3.253 2.944 3.408 . 0 0 "[ . 1]" 1
603 1 39 TRP H 1 39 TRP HD1 . . 5.470 5.206 4.868 5.286 . 0 0 "[ . 1]" 1
604 1 39 TRP H 1 39 TRP HE1 . . 6.530 6.239 5.942 6.325 . 0 0 "[ . 1]" 1
605 1 39 TRP H 1 40 TYR H . . 5.900 4.439 4.381 4.496 . 0 0 "[ . 1]" 1
606 1 39 TRP H 1 48 VAL H . . 4.460 4.129 3.838 4.435 . 0 0 "[ . 1]" 1
607 1 39 TRP H 1 49 ILE H . . 4.680 3.636 3.492 3.811 . 0 0 "[ . 1]" 1
608 1 39 TRP H 1 49 ILE MG . . 7.030 4.105 3.763 4.524 . 0 0 "[ . 1]" 1
609 1 39 TRP H 1 50 MET H . . 5.940 5.601 5.375 5.834 . 0 0 "[ . 1]" 1
610 1 39 TRP H 1 99 ARG H . . 5.620 5.357 5.080 5.500 . 0 0 "[ . 1]" 1
611 1 39 TRP HA 1 40 TYR H . . 3.600 2.239 2.185 2.293 . 0 0 "[ . 1]" 1
612 1 39 TRP HA 1 40 TYR QD . . 5.430 3.398 3.249 3.680 . 0 0 "[ . 1]" 1
613 1 39 TRP HA 1 41 ARG H . . 6.540 6.210 6.026 6.489 . 0 0 "[ . 1]" 1
614 1 39 TRP HA 1 96 TYR HA . . 5.540 5.482 5.032 5.778 0.238 10 0 "[ . 1]" 1
615 1 39 TRP HA 1 97 TRP H . . 5.200 4.425 4.062 4.785 . 0 0 "[ . 1]" 1
616 1 39 TRP HA 1 98 CYS HA . . 4.760 3.519 3.024 3.812 . 0 0 "[ . 1]" 1
617 1 39 TRP HA 1 99 ARG H . . 4.910 4.345 3.768 4.584 . 0 0 "[ . 1]" 1
618 1 39 TRP QB 1 40 TYR H . . 4.460 2.970 2.786 3.097 . 0 0 "[ . 1]" 1
619 1 39 TRP QB 1 40 TYR HA . . 5.180 4.201 4.150 4.299 . 0 0 "[ . 1]" 1
620 1 39 TRP QB 1 41 ARG H . . 6.320 5.257 5.018 5.641 . 0 0 "[ . 1]" 1
621 1 39 TRP QB 1 49 ILE MG . . 7.320 3.009 2.581 3.509 . 0 0 "[ . 1]" 1
622 1 39 TRP QB 1 83 LEU MD1 . . 7.260 4.931 4.155 5.604 . 0 0 "[ . 1]" 1
623 1 39 TRP QB 1 85 ILE MD . . 8.230 5.636 4.994 7.950 . 0 0 "[ . 1]" 1
624 1 39 TRP HD1 1 40 TYR H . . 5.370 4.295 4.116 4.451 . 0 0 "[ . 1]" 1
625 1 39 TRP HD1 1 49 ILE MG . . 9.050 5.812 5.273 6.212 . 0 0 "[ . 1]" 1
626 1 39 TRP HD1 1 83 LEU H . . 5.980 5.721 5.130 6.183 0.203 10 0 "[ . 1]" 1
627 1 39 TRP HD1 1 96 TYR H . . 6.660 6.656 6.128 6.814 0.154 10 0 "[ . 1]" 1
628 1 39 TRP HD1 1 96 TYR HB2 . . 4.700 4.278 3.787 4.929 0.229 10 0 "[ . 1]" 1
629 1 39 TRP HD1 1 98 CYS H . . 6.610 5.754 4.631 6.413 . 0 0 "[ . 1]" 1
630 1 39 TRP HD1 1 99 ARG H . . 6.780 5.865 4.412 6.301 . 0 0 "[ . 1]" 1
631 1 39 TRP HD1 1 111 VAL MG1 . . 7.210 5.731 4.675 6.575 . 0 0 "[ . 1]" 1
632 1 39 TRP HD1 1 111 VAL MG2 . . 6.460 4.794 4.148 5.500 . 0 0 "[ . 1]" 1
633 1 39 TRP HZ2 1 81 VAL H . . 5.840 5.723 5.505 5.874 0.034 8 0 "[ . 1]" 1
634 1 39 TRP HZ2 1 81 VAL MG1 . . 5.320 3.147 1.798 4.436 . 0 0 "[ . 1]" 1
635 1 39 TRP O 1 48 VAL H . . 2.550 2.344 2.261 2.387 . 0 0 "[ . 1]" 1
636 1 39 TRP O 1 48 VAL N . . 3.650 3.297 3.211 3.370 . 0 0 "[ . 1]" 1
637 1 40 TYR H 1 40 TYR QD . . 4.290 2.788 2.568 2.993 . 0 0 "[ . 1]" 1
638 1 40 TYR H 1 42 SER H . . 5.610 5.205 4.998 5.420 . 0 0 "[ . 1]" 1
639 1 40 TYR H 1 44 PRO HA . . 5.980 5.593 5.199 5.776 . 0 0 "[ . 1]" 1
640 1 40 TYR H 1 47 PRO HA . . 5.690 5.228 4.790 5.541 . 0 0 "[ . 1]" 1
641 1 40 TYR H 1 48 VAL H . . 5.600 5.224 4.973 5.378 . 0 0 "[ . 1]" 1
642 1 40 TYR H 1 48 VAL MG2 . . 7.750 4.885 4.273 6.665 . 0 0 "[ . 1]" 1
643 1 40 TYR H 1 96 TYR HA . . 4.650 3.642 3.294 3.992 . 0 0 "[ . 1]" 1
644 1 40 TYR H 1 96 TYR HB2 . . 4.640 3.234 1.870 4.694 0.054 2 0 "[ . 1]" 1
645 1 40 TYR H 1 97 TRP H . . 4.340 2.945 2.544 3.568 . 0 0 "[ . 1]" 1
646 1 40 TYR H 1 97 TRP HB2 . . 5.340 4.272 3.365 5.194 . 0 0 "[ . 1]" 1
647 1 40 TYR H 1 97 TRP HB3 . . 6.500 5.574 4.732 6.417 . 0 0 "[ . 1]" 1
648 1 40 TYR H 1 98 CYS H . . 6.140 5.781 5.318 6.206 0.066 9 0 "[ . 1]" 1
649 1 40 TYR H 1 98 CYS HA . . 5.240 4.954 4.519 5.276 0.036 3 0 "[ . 1]" 1
650 1 40 TYR H 1 98 CYS HB2 . . 7.310 6.398 5.952 7.018 . 0 0 "[ . 1]" 1
651 1 40 TYR HA 1 41 ARG H . . 4.940 2.205 2.136 2.328 . 0 0 "[ . 1]" 1
652 1 40 TYR HA 1 43 ASP HB2 . . 5.720 4.959 4.372 5.864 0.144 5 0 "[ . 1]" 1
653 1 40 TYR HA 1 44 PRO HA . . 5.640 4.855 4.722 5.073 . 0 0 "[ . 1]" 1
654 1 40 TYR HA 1 47 PRO QB . . 5.620 4.545 3.812 5.201 . 0 0 "[ . 1]" 1
655 1 40 TYR HA 1 48 VAL H . . 4.090 3.181 2.815 3.526 . 0 0 "[ . 1]" 1
656 1 40 TYR HA 1 48 VAL MG2 . . 5.730 3.243 2.818 5.196 . 0 0 "[ . 1]" 1
657 1 40 TYR HB2 1 41 ARG H . . 5.370 4.083 3.757 4.264 . 0 0 "[ . 1]" 1
658 1 40 TYR HB2 1 44 PRO HA . . 4.930 3.209 2.859 3.474 . 0 0 "[ . 1]" 1
659 1 40 TYR HB3 1 41 ARG H . . 4.560 3.109 2.592 3.385 . 0 0 "[ . 1]" 1
660 1 40 TYR HB3 1 43 ASP H . . 5.000 2.644 2.399 2.837 . 0 0 "[ . 1]" 1
661 1 40 TYR HB3 1 44 PRO HB3 . . 6.310 4.717 4.421 5.117 . 0 0 "[ . 1]" 1
662 1 40 TYR QD 1 41 ARG H . . 5.320 4.060 3.697 4.280 . 0 0 "[ . 1]" 1
663 1 40 TYR QD 1 42 SER H . . 6.940 5.795 5.624 5.966 . 0 0 "[ . 1]" 1
664 1 41 ARG H 1 42 SER H . . 4.700 3.885 3.633 4.054 . 0 0 "[ . 1]" 1
665 1 41 ARG H 1 43 ASP H . . 4.700 3.167 2.750 3.417 . 0 0 "[ . 1]" 1
666 1 41 ARG H 1 46 MET H . . 6.230 5.910 5.405 6.258 0.028 8 0 "[ . 1]" 1
667 1 41 ARG H 1 48 VAL MG2 . . 4.570 3.162 2.279 4.682 0.112 6 0 "[ . 1]" 1
668 1 41 ARG H 1 96 TYR HB2 . . 6.920 5.721 4.557 7.178 0.258 6 0 "[ . 1]" 1
669 1 41 ARG H 1 96 TYR HB3 . . 5.830 5.667 5.189 5.950 0.120 4 0 "[ . 1]" 1
670 1 41 ARG HA 1 42 SER H . . 4.890 2.319 2.215 2.398 . 0 0 "[ . 1]" 1
671 1 41 ARG HA 1 43 ASP H . . 5.270 3.907 3.800 4.023 . 0 0 "[ . 1]" 1
672 1 41 ARG QG 1 42 SER H . . 5.140 4.069 3.668 4.448 . 0 0 "[ . 1]" 1
673 1 41 ARG QG 1 92 ASP H . . 6.390 5.292 4.009 6.403 0.013 2 0 "[ . 1]" 1
674 1 41 ARG QG 1 95 GLN H . . 7.700 6.657 5.506 7.716 0.016 5 0 "[ . 1]" 1
675 1 42 SER H 1 95 GLN HA . . 5.430 5.374 5.227 5.507 0.077 1 0 "[ . 1]" 1
676 1 42 SER H 1 95 GLN QB . . 6.430 4.923 4.696 5.302 . 0 0 "[ . 1]" 1
677 1 42 SER H 1 95 GLN O . . 2.720 2.408 2.279 2.533 . 0 0 "[ . 1]" 1
678 1 42 SER H 1 96 TYR H . . 5.250 5.149 4.942 5.290 0.040 9 0 "[ . 1]" 1
679 1 42 SER H 1 96 TYR HA . . 4.700 3.152 2.674 3.622 . 0 0 "[ . 1]" 1
680 1 42 SER HA 1 95 GLN H . . 3.950 3.755 3.117 3.979 0.029 1 0 "[ . 1]" 1
681 1 42 SER QB 1 94 GLY H . . 6.720 6.103 4.976 6.717 . 0 0 "[ . 1]" 1
682 1 42 SER N 1 95 GLN O . . 3.650 3.187 2.998 3.306 . 0 0 "[ . 1]" 1
683 1 43 ASP H 1 44 PRO HA . . 5.000 4.480 4.428 4.545 . 0 0 "[ . 1]" 1
684 1 43 ASP H 1 46 MET H . . 5.530 5.132 4.901 5.361 . 0 0 "[ . 1]" 1
685 1 43 ASP HA 1 46 MET QB . . 5.880 4.760 4.207 5.743 . 0 0 "[ . 1]" 1
686 1 46 MET HG3 1 47 PRO HA . . 4.900 4.965 4.635 5.196 0.296 9 0 "[ . 1]" 1
687 1 47 PRO HA 1 48 VAL H . . 4.100 2.272 2.206 2.356 . 0 0 "[ . 1]" 1
688 1 47 PRO QB 1 48 VAL H . . 4.360 3.028 2.829 3.216 . 0 0 "[ . 1]" 1
689 1 47 PRO QB 1 50 MET H . . 6.910 5.262 4.964 5.464 . 0 0 "[ . 1]" 1
690 1 47 PRO QB 1 50 MET HA . . 6.350 5.130 4.607 5.546 . 0 0 "[ . 1]" 1
691 1 47 PRO QG 1 48 VAL H . . 5.500 4.462 4.296 4.698 . 0 0 "[ . 1]" 1
692 1 48 VAL H 1 48 VAL HB . . 4.210 3.007 2.448 3.746 . 0 0 "[ . 1]" 1
693 1 48 VAL H 1 48 VAL MG2 . . 4.650 2.326 1.907 3.790 . 0 0 "[ . 1]" 1
694 1 48 VAL H 1 49 ILE H . . 3.870 2.347 2.102 2.613 . 0 0 "[ . 1]" 1
695 1 48 VAL HA 1 49 ILE H . . 4.970 3.540 3.491 3.568 . 0 0 "[ . 1]" 1
696 1 48 VAL MG1 1 49 ILE H . . 5.130 3.419 1.952 3.993 . 0 0 "[ . 1]" 1
697 1 48 VAL MG1 1 49 ILE MD . . 6.480 4.862 3.945 5.910 . 0 0 "[ . 1]" 1
698 1 48 VAL MG1 1 49 ILE MG . . 6.670 3.506 2.017 4.589 . 0 0 "[ . 1]" 1
699 1 48 VAL MG1 1 69 ALA MB . . 6.300 4.426 3.049 6.214 . 0 0 "[ . 1]" 1
700 1 48 VAL MG1 1 96 TYR HB2 . . 8.550 7.040 5.608 8.596 0.046 2 0 "[ . 1]" 1
701 1 48 VAL MG2 1 49 ILE H . . 5.140 3.091 2.021 3.866 . 0 0 "[ . 1]" 1
702 1 48 VAL MG2 1 85 ILE HB . . 7.420 5.902 4.970 7.177 . 0 0 "[ . 1]" 1
703 1 49 ILE H 1 49 ILE MD . . 5.640 4.359 4.235 4.400 . 0 0 "[ . 1]" 1
704 1 49 ILE H 1 49 ILE MG . . 4.660 2.596 2.259 2.867 . 0 0 "[ . 1]" 1
705 1 49 ILE H 1 50 MET H . . 5.440 4.335 4.311 4.360 . 0 0 "[ . 1]" 1
706 1 49 ILE H 1 50 MET HA . . 5.640 4.674 4.579 4.771 . 0 0 "[ . 1]" 1
707 1 49 ILE H 1 50 MET HB3 . . 5.230 4.826 4.613 5.114 . 0 0 "[ . 1]" 1
708 1 49 ILE H 1 57 VAL QG . . 8.280 5.237 5.016 5.889 . 0 0 "[ . 1]" 1
709 1 49 ILE H 1 69 ALA MB . . 6.910 5.273 4.735 6.301 . 0 0 "[ . 1]" 1
710 1 49 ILE HA 1 49 ILE MD . . 4.730 2.048 2.021 2.071 . 0 0 "[ . 1]" 1
711 1 49 ILE HA 1 57 VAL H . . 5.240 5.210 4.953 5.317 0.077 1 0 "[ . 1]" 1
712 1 49 ILE HB 1 50 MET HA . . 6.040 5.805 5.726 5.846 . 0 0 "[ . 1]" 1
713 1 49 ILE HB 1 69 ALA H . . 5.440 5.004 4.555 5.404 . 0 0 "[ . 1]" 1
714 1 49 ILE HB 1 69 ALA MB . . 4.300 3.108 2.517 4.166 . 0 0 "[ . 1]" 1
715 1 49 ILE MD 1 50 MET H . . 5.960 2.643 2.347 2.981 . 0 0 "[ . 1]" 1
716 1 49 ILE MD 1 56 GLU HB2 . . 6.480 4.018 2.537 5.377 . 0 0 "[ . 1]" 1
717 1 49 ILE MD 1 56 GLU HB3 . . 6.650 4.321 2.823 4.889 . 0 0 "[ . 1]" 1
718 1 49 ILE MD 1 57 VAL H . . 6.150 3.435 2.812 3.779 . 0 0 "[ . 1]" 1
719 1 49 ILE MD 1 65 TYR HA . . 5.870 4.153 3.618 4.897 . 0 0 "[ . 1]" 1
720 1 49 ILE MD 1 66 GLY H . . 6.280 3.593 2.678 4.289 . 0 0 "[ . 1]" 1
721 1 49 ILE MD 1 68 ARG H . . 6.850 5.334 4.608 5.803 . 0 0 "[ . 1]" 1
722 1 49 ILE MD 1 85 ILE HA . . 9.310 7.623 7.058 7.815 . 0 0 "[ . 1]" 1
723 1 49 ILE MD 1 86 ARG H . . 10.240 8.333 7.792 8.635 . 0 0 "[ . 1]" 1
724 1 49 ILE HG12 1 69 ALA H . . 4.350 4.439 4.403 4.476 0.126 6 0 "[ . 1]" 1
725 1 49 ILE HG13 1 50 MET H . . 4.680 2.186 1.988 2.364 . 0 0 "[ . 1]" 1
726 1 49 ILE HG13 1 56 GLU HB2 . . 4.710 4.118 3.277 4.879 0.169 8 0 "[ . 1]" 1
727 1 49 ILE HG13 1 56 GLU HB3 . . 4.650 4.366 3.090 4.831 0.181 3 0 "[ . 1]" 1
728 1 49 ILE HG13 1 57 VAL H . . 3.660 3.647 3.024 3.762 0.102 4 0 "[ . 1]" 1
729 1 49 ILE HG13 1 57 VAL MG1 . . 4.390 3.379 2.642 4.501 0.111 8 0 "[ . 1]" 1
730 1 49 ILE HG13 1 69 ALA H . . 6.140 6.170 6.081 6.228 0.088 8 0 "[ . 1]" 1
731 1 49 ILE MG 1 50 MET H . . 4.920 3.529 3.191 3.763 . 0 0 "[ . 1]" 1
732 1 49 ILE MG 1 69 ALA H . . 6.370 4.552 4.282 4.723 . 0 0 "[ . 1]" 1
733 1 49 ILE MG 1 83 LEU MD1 . . 4.330 2.633 2.017 3.255 . 0 0 "[ . 1]" 1
734 1 49 ILE MG 1 85 ILE HA . . 7.760 5.654 5.346 6.002 . 0 0 "[ . 1]" 1
735 1 49 ILE MG 1 85 ILE HB . . 7.750 4.963 4.804 5.211 . 0 0 "[ . 1]" 1
736 1 49 ILE MG 1 85 ILE MD . . 8.810 4.255 3.500 5.951 . 0 0 "[ . 1]" 1
737 1 50 MET H 1 57 VAL H . . 4.730 3.353 3.150 3.501 . 0 0 "[ . 1]" 1
738 1 50 MET HA 1 51 TYR H . . 3.930 2.240 2.217 2.261 . 0 0 "[ . 1]" 1
739 1 50 MET HA 1 51 TYR HB3 . . 5.100 4.679 4.547 4.871 . 0 0 "[ . 1]" 1
740 1 50 MET HG2 1 51 TYR H . . 5.300 4.829 4.651 5.078 . 0 0 "[ . 1]" 1
741 1 50 MET HG2 1 57 VAL H . . 6.000 4.008 3.452 5.169 . 0 0 "[ . 1]" 1
742 1 50 MET HG2 1 57 VAL QG . . 5.590 2.208 1.980 2.845 . 0 0 "[ . 1]" 1
743 1 50 MET HG3 1 56 GLU HA . . 5.030 4.630 4.157 5.109 0.079 9 0 "[ . 1]" 1
744 1 50 MET O 1 57 VAL H . . 2.690 2.202 1.972 2.383 . 0 0 "[ . 1]" 1
745 1 50 MET O 1 57 VAL N . . 3.650 3.111 2.910 3.248 . 0 0 "[ . 1]" 1
746 1 51 TYR H 1 57 VAL H . . 5.590 5.279 5.043 5.501 . 0 0 "[ . 1]" 1
747 1 51 TYR H 1 81 VAL QG . . 8.880 5.930 5.360 6.604 . 0 0 "[ . 1]" 1
748 1 51 TYR HA 1 52 ARG HB3 . . 5.020 4.689 4.608 4.814 . 0 0 "[ . 1]" 1
749 1 51 TYR HA 1 56 GLU HA . . 4.410 2.193 2.076 2.464 . 0 0 "[ . 1]" 1
750 1 51 TYR HA 1 57 VAL H . . 4.580 3.745 3.574 3.952 . 0 0 "[ . 1]" 1
751 1 51 TYR HB2 1 56 GLU HA . . 4.660 4.190 3.935 4.612 . 0 0 "[ . 1]" 1
752 1 52 ARG H 1 55 ALA H . . 4.250 3.236 3.115 3.348 . 0 0 "[ . 1]" 1
753 1 52 ARG H 1 56 GLU HA . . 4.000 3.080 2.860 3.305 . 0 0 "[ . 1]" 1
754 1 52 ARG HB3 1 55 ALA H . . 5.520 5.091 4.700 5.623 0.103 7 0 "[ . 1]" 1
755 1 53 ASP HA 1 54 GLY H . . 4.220 2.770 2.693 2.806 . 0 0 "[ . 1]" 1
756 1 54 GLY H 1 55 ALA H . . 4.400 2.696 2.647 2.737 . 0 0 "[ . 1]" 1
757 1 54 GLY HA2 1 55 ALA H . . 4.630 3.177 3.142 3.225 . 0 0 "[ . 1]" 1
758 1 54 GLY HA3 1 55 ALA H . . 4.620 3.457 3.435 3.493 . 0 0 "[ . 1]" 1
759 1 55 ALA H 1 56 GLU H . . 5.040 4.379 4.337 4.407 . 0 0 "[ . 1]" 1
760 1 55 ALA HA 1 56 GLU H . . 3.640 2.246 2.216 2.272 . 0 0 "[ . 1]" 1
761 1 55 ALA HA 1 56 GLU HB2 . . 6.100 5.125 4.335 5.769 . 0 0 "[ . 1]" 1
762 1 55 ALA HA 1 56 GLU HB3 . . 6.080 4.899 4.477 5.744 . 0 0 "[ . 1]" 1
763 1 55 ALA MB 1 56 GLU H . . 3.940 2.750 2.655 2.848 . 0 0 "[ . 1]" 1
764 1 56 GLU H 1 56 GLU HB3 . . 4.190 2.891 2.643 3.653 . 0 0 "[ . 1]" 1
765 1 56 GLU H 1 71 TRP H . . 6.250 5.997 5.329 6.325 0.075 6 0 "[ . 1]" 1
766 1 56 GLU HA 1 57 VAL H . . 3.630 2.295 2.242 2.319 . 0 0 "[ . 1]" 1
767 1 56 GLU HA 1 57 VAL MG1 . . 6.480 4.083 3.666 5.508 . 0 0 "[ . 1]" 1
768 1 57 VAL H 1 58 THR HA . . 6.770 5.738 5.483 6.350 . 0 0 "[ . 1]" 1
769 1 57 VAL HA 1 58 THR H . . 5.510 2.214 2.141 2.346 . 0 0 "[ . 1]" 1
770 1 57 VAL HA 1 66 GLY H . . 8.420 7.800 7.165 8.503 0.083 1 0 "[ . 1]" 1
771 1 57 VAL HB 1 58 THR H . . 6.070 3.897 2.594 4.382 . 0 0 "[ . 1]" 1
772 1 58 THR HA 1 59 GLY H . . 4.360 2.637 2.168 3.531 . 0 0 "[ . 1]" 1
773 1 58 THR HB 1 59 GLY H . . 4.300 3.882 2.513 4.369 0.069 6 0 "[ . 1]" 1
774 1 58 THR MG 1 59 GLY H . . 5.380 3.589 2.643 4.190 . 0 0 "[ . 1]" 1
775 1 59 GLY H 1 60 LEU H . . 4.840 3.953 1.797 4.578 . 0 0 "[ . 1]" 1
776 1 59 GLY HA2 1 60 LEU H . . 4.400 2.881 2.134 3.553 . 0 0 "[ . 1]" 1
777 1 59 GLY HA3 1 60 LEU H . . 4.140 2.643 2.126 3.180 . 0 0 "[ . 1]" 1
778 1 59 GLY HA3 1 60 LEU MD2 . . 6.460 5.076 3.206 6.482 0.022 8 0 "[ . 1]" 1
779 1 60 LEU H 1 60 LEU QD . . 5.180 2.791 1.843 3.745 . 0 0 "[ . 1]" 1
780 1 60 LEU H 1 61 PRO HA . . 5.720 5.685 5.550 5.869 0.149 2 0 "[ . 1]" 1
781 1 60 LEU H 1 62 MET QG . . 8.340 7.678 6.432 8.503 0.163 4 0 "[ . 1]" 1
782 1 60 LEU QB 1 62 MET H . . 6.140 4.448 2.538 6.136 . 0 0 "[ . 1]" 1
783 1 60 LEU QD 1 61 PRO HB2 . . 8.970 5.016 4.076 5.982 . 0 0 "[ . 1]" 1
784 1 61 PRO HA 1 62 MET H . . 3.860 3.058 2.238 3.615 . 0 0 "[ . 1]" 1
785 1 61 PRO HA 1 62 MET QB . . 6.240 4.919 4.271 5.379 . 0 0 "[ . 1]" 1
786 1 61 PRO HB3 1 62 MET H . . 4.930 3.870 3.223 4.582 . 0 0 "[ . 1]" 1
787 1 62 MET H 1 62 MET QG . . 4.970 2.968 2.243 4.073 . 0 0 "[ . 1]" 1
788 1 62 MET QG 1 63 GLU H . . 5.340 4.076 2.705 4.634 . 0 0 "[ . 1]" 1
789 1 63 GLU HA 1 63 GLU HG2 . . 4.090 3.623 3.526 3.720 . 0 0 "[ . 1]" 1
790 1 63 GLU HA 1 63 GLU HG3 . . 4.210 3.342 2.219 4.226 0.016 1 0 "[ . 1]" 1
791 1 63 GLU HA 1 64 GLY H . . 3.610 2.421 2.089 3.023 . 0 0 "[ . 1]" 1
792 1 63 GLU HA 1 65 TYR H . . 4.110 3.680 3.251 4.122 0.012 1 0 "[ . 1]" 1
793 1 63 GLU HA 1 66 GLY H . . 4.650 3.699 3.166 4.421 . 0 0 "[ . 1]" 1
794 1 63 GLU HA 1 67 GLY H . . 4.590 3.989 3.171 4.506 . 0 0 "[ . 1]" 1
795 1 63 GLU HB2 1 67 GLY HA2 . . 4.780 4.558 2.602 4.907 0.127 1 0 "[ . 1]" 1
796 1 63 GLU HB3 1 64 GLY H . . 5.200 4.404 4.172 4.592 . 0 0 "[ . 1]" 1
797 1 63 GLU HB3 1 67 GLY H . . 5.270 3.628 2.395 4.827 . 0 0 "[ . 1]" 1
798 1 63 GLU HG2 1 64 GLY H . . 5.770 5.088 3.915 5.873 0.103 9 0 "[ . 1]" 1
799 1 63 GLU HG2 1 68 ARG H . . 6.640 5.743 4.661 6.747 0.107 8 0 "[ . 1]" 1
800 1 63 GLU HG3 1 64 GLY H . . 5.190 4.713 3.901 5.396 0.206 6 0 "[ . 1]" 1
801 1 63 GLU HG3 1 68 ARG H . . 5.210 4.896 4.478 5.248 0.038 10 0 "[ . 1]" 1
802 1 63 GLU O 1 67 GLY H . . 3.020 2.132 1.882 2.746 . 0 0 "[ . 1]" 1
803 1 63 GLU O 1 67 GLY N . . 3.650 2.940 2.749 3.383 . 0 0 "[ . 1]" 1
804 1 64 GLY HA3 1 68 ARG H . . 8.310 5.902 4.975 8.182 . 0 0 "[ . 1]" 1
805 1 65 TYR H 1 65 TYR HB3 . . 4.020 3.628 3.580 3.667 . 0 0 "[ . 1]" 1
806 1 65 TYR HA 1 66 GLY H . . 6.100 3.538 3.431 3.579 . 0 0 "[ . 1]" 1
807 1 65 TYR HA 1 68 ARG QG . . 6.530 4.346 3.013 5.367 . 0 0 "[ . 1]" 1
808 1 65 TYR HA 1 69 ALA H . . 4.900 4.437 4.215 4.700 . 0 0 "[ . 1]" 1
809 1 65 TYR HA 1 69 ALA MB . . 6.530 4.919 4.416 5.277 . 0 0 "[ . 1]" 1
810 1 65 TYR HA 1 85 ILE MD . . 8.820 6.342 5.354 8.534 . 0 0 "[ . 1]" 1
811 1 65 TYR HB2 1 68 ARG H . . 5.610 5.470 3.959 5.732 0.122 7 0 "[ . 1]" 1
812 1 65 TYR HB3 1 66 GLY H . . 5.460 3.600 3.321 4.134 . 0 0 "[ . 1]" 1
813 1 65 TYR HB3 1 85 ILE MD . . 9.410 6.722 5.592 7.711 . 0 0 "[ . 1]" 1
814 1 65 TYR O 1 69 ALA H . . 2.770 2.242 1.993 2.513 . 0 0 "[ . 1]" 1
815 1 65 TYR O 1 69 ALA N . . 3.650 3.169 2.927 3.376 . 0 0 "[ . 1]" 1
816 1 66 GLY H 1 67 GLY HA2 . . 5.880 5.228 4.441 5.366 . 0 0 "[ . 1]" 1
817 1 66 GLY H 1 67 GLY HA3 . . 5.240 4.956 4.752 5.062 . 0 0 "[ . 1]" 1
818 1 66 GLY H 1 68 ARG H . . 4.520 4.228 4.043 4.372 . 0 0 "[ . 1]" 1
819 1 66 GLY HA2 1 67 GLY H . . 3.830 3.509 3.199 3.557 . 0 0 "[ . 1]" 1
820 1 66 GLY HA2 1 68 ARG H . . 4.530 4.394 4.151 4.521 . 0 0 "[ . 1]" 1
821 1 66 GLY HA2 1 69 ALA H . . 5.570 3.745 3.427 5.416 . 0 0 "[ . 1]" 1
822 1 66 GLY HA3 1 67 GLY H . . 3.770 2.871 2.756 3.393 . 0 0 "[ . 1]" 1
823 1 66 GLY HA3 1 68 ARG H . . 4.850 4.579 3.167 4.841 . 0 0 "[ . 1]" 1
824 1 66 GLY HA3 1 69 ALA H . . 5.300 4.687 3.919 4.995 . 0 0 "[ . 1]" 1
825 1 67 GLY H 1 68 ARG H . . 4.290 2.703 2.622 2.771 . 0 0 "[ . 1]" 1
826 1 67 GLY HA3 1 68 ARG H . . 4.330 2.865 2.790 3.341 . 0 0 "[ . 1]" 1
827 1 68 ARG H 1 68 ARG QG . . 4.850 3.160 1.948 4.042 . 0 0 "[ . 1]" 1
828 1 68 ARG H 1 69 ALA H . . 3.960 2.679 2.301 2.834 . 0 0 "[ . 1]" 1
829 1 68 ARG H 1 69 ALA MB . . 6.100 4.568 4.413 4.721 . 0 0 "[ . 1]" 1
830 1 68 ARG HA 1 69 ALA H . . 4.840 3.584 3.567 3.628 . 0 0 "[ . 1]" 1
831 1 68 ARG HA 1 69 ALA HA . . 4.810 4.573 4.548 4.618 . 0 0 "[ . 1]" 1
832 1 68 ARG HA 1 86 ARG H . . 3.820 3.609 3.244 3.907 0.087 3 0 "[ . 1]" 1
833 1 68 ARG HA 1 86 ARG QB . . 4.160 3.211 2.263 4.324 0.164 10 0 "[ . 1]" 1
834 1 68 ARG HA 1 86 ARG QD . . 5.110 3.479 2.559 5.018 . 0 0 "[ . 1]" 1
835 1 68 ARG HA 1 86 ARG QG . . 5.550 3.788 2.145 5.260 . 0 0 "[ . 1]" 1
836 1 68 ARG HB2 1 86 ARG H . . 5.040 5.029 4.459 5.225 0.185 6 0 "[ . 1]" 1
837 1 68 ARG QG 1 69 ALA H . . 6.140 3.847 1.910 4.664 . 0 0 "[ . 1]" 1
838 1 68 ARG QG 1 86 ARG H . . 5.560 3.933 2.249 5.571 0.011 4 0 "[ . 1]" 1
839 1 68 ARG O 1 86 ARG H . . 2.550 2.085 1.867 2.330 . 0 0 "[ . 1]" 1
840 1 68 ARG O 1 86 ARG N . . 3.650 3.007 2.715 3.262 . 0 0 "[ . 1]" 1
841 1 69 ALA H 1 69 ALA MB . . 3.630 2.408 2.213 2.550 . 0 0 "[ . 1]" 1
842 1 69 ALA H 1 70 GLU H . . 4.780 4.349 4.164 4.522 . 0 0 "[ . 1]" 1
843 1 69 ALA H 1 83 LEU MD1 . . 6.450 4.813 4.596 4.940 . 0 0 "[ . 1]" 1
844 1 69 ALA H 1 83 LEU HG . . 6.050 6.113 5.876 6.250 0.200 7 0 "[ . 1]" 1
845 1 69 ALA H 1 85 ILE HA . . 4.830 4.749 4.521 4.870 0.040 9 0 "[ . 1]" 1
846 1 69 ALA H 1 85 ILE HB . . 6.260 6.047 5.514 6.349 0.089 8 0 "[ . 1]" 1
847 1 69 ALA H 1 85 ILE MD . . 6.650 4.798 3.636 5.775 . 0 0 "[ . 1]" 1
848 1 69 ALA H 1 86 ARG QD . . 6.160 5.767 4.550 6.285 0.125 8 0 "[ . 1]" 1
849 1 69 ALA H 1 86 ARG QG . . 6.480 5.801 4.965 6.593 0.113 8 0 "[ . 1]" 1
850 1 69 ALA HA 1 70 GLU H . . 3.770 2.142 2.121 2.200 . 0 0 "[ . 1]" 1
851 1 69 ALA HA 1 84 LYS H . . 5.690 4.773 4.446 5.077 . 0 0 "[ . 1]" 1
852 1 69 ALA HA 1 85 ILE H . . 4.760 4.744 4.683 4.844 0.084 10 0 "[ . 1]" 1
853 1 69 ALA HA 1 85 ILE HA . . 4.600 2.409 2.203 2.823 . 0 0 "[ . 1]" 1
854 1 69 ALA HA 1 86 ARG H . . 4.760 3.665 3.190 4.246 . 0 0 "[ . 1]" 1
855 1 69 ALA MB 1 70 GLU H . . 4.280 3.124 2.661 3.328 . 0 0 "[ . 1]" 1
856 1 69 ALA MB 1 83 LEU MD1 . . 4.550 2.082 1.890 2.299 . 0 0 "[ . 1]" 1
857 1 69 ALA MB 1 83 LEU HG . . 3.730 2.574 2.154 2.821 . 0 0 "[ . 1]" 1
858 1 69 ALA MB 1 85 ILE HA . . 4.770 3.217 2.064 3.985 . 0 0 "[ . 1]" 1
859 1 69 ALA MB 1 85 ILE HB . . 5.250 3.278 2.155 4.005 . 0 0 "[ . 1]" 1
860 1 69 ALA MB 1 85 ILE MD . . 5.250 3.011 1.938 4.790 . 0 0 "[ . 1]" 1
861 1 69 ALA MB 1 86 ARG H . . 5.820 4.447 3.622 5.319 . 0 0 "[ . 1]" 1
862 1 70 GLU H 1 71 TRP H . . 4.920 4.390 4.285 4.459 . 0 0 "[ . 1]" 1
863 1 70 GLU H 1 83 LEU MD1 . . 5.310 3.039 2.648 3.429 . 0 0 "[ . 1]" 1
864 1 70 GLU H 1 83 LEU HG . . 5.520 3.906 3.616 4.332 . 0 0 "[ . 1]" 1
865 1 70 GLU H 1 84 LYS H . . 4.320 3.380 2.916 3.564 . 0 0 "[ . 1]" 1
866 1 70 GLU H 1 84 LYS O . . 2.550 1.917 1.875 2.046 . 0 0 "[ . 1]" 1
867 1 70 GLU H 1 85 ILE H . . 5.210 5.002 4.974 5.026 . 0 0 "[ . 1]" 1
868 1 70 GLU H 1 86 ARG H . . 5.570 5.049 4.691 5.387 . 0 0 "[ . 1]" 1
869 1 70 GLU N 1 84 LYS O . . 3.650 2.832 2.725 2.934 . 0 0 "[ . 1]" 1
870 1 70 GLU O 1 84 LYS H . . 2.550 1.894 1.836 1.950 . 0 0 "[ . 1]" 1
871 1 70 GLU O 1 84 LYS N . . 3.650 2.809 2.770 2.867 . 0 0 "[ . 1]" 1
872 1 71 TRP H 1 72 MET H . . 5.240 4.527 4.473 4.568 . 0 0 "[ . 1]" 1
873 1 71 TRP H 1 84 LYS HB3 . . 6.130 5.511 5.065 5.626 . 0 0 "[ . 1]" 1
874 1 71 TRP HA 1 72 MET H . . 3.930 2.121 2.103 2.146 . 0 0 "[ . 1]" 1
875 1 71 TRP HA 1 72 MET HB3 . . 4.890 4.615 4.561 4.676 . 0 0 "[ . 1]" 1
876 1 71 TRP HA 1 82 ALA H . . 5.460 5.269 4.886 5.566 0.106 6 0 "[ . 1]" 1
877 1 71 TRP HA 1 83 LEU MD1 . . 4.580 2.390 2.030 3.327 . 0 0 "[ . 1]" 1
878 1 71 TRP HA 1 84 LYS H . . 4.940 3.247 3.038 3.587 . 0 0 "[ . 1]" 1
879 1 71 TRP HA 1 84 LYS HB2 . . 5.250 5.262 5.064 5.320 0.070 2 0 "[ . 1]" 1
880 1 71 TRP HA 1 84 LYS HB3 . . 4.980 5.000 4.880 5.084 0.104 7 0 "[ . 1]" 1
881 1 71 TRP HB3 1 73 GLU H . . 6.180 6.231 6.054 6.326 0.146 10 0 "[ . 1]" 1
882 1 71 TRP HB3 1 83 LEU MD1 . . 5.200 3.539 2.853 4.607 . 0 0 "[ . 1]" 1
883 1 71 TRP HB3 1 84 LYS H . . 6.000 5.682 5.374 6.168 0.168 7 0 "[ . 1]" 1
884 1 72 MET H 1 82 ALA H . . 4.920 4.038 3.802 4.270 . 0 0 "[ . 1]" 1
885 1 72 MET H 1 82 ALA O . . 2.670 2.012 1.888 2.349 . 0 0 "[ . 1]" 1
886 1 72 MET HA 1 72 MET ME . . 5.320 4.098 3.231 4.541 . 0 0 "[ . 1]" 1
887 1 72 MET HB3 1 73 GLU HA . . 5.480 5.171 4.897 5.287 . 0 0 "[ . 1]" 1
888 1 72 MET HB3 1 84 LYS H . . 4.190 3.948 3.638 4.226 0.036 7 0 "[ . 1]" 1
889 1 72 MET HB3 1 84 LYS HB3 . . 4.380 4.338 4.043 4.460 0.080 3 0 "[ . 1]" 1
890 1 72 MET ME 1 73 GLU H . . 7.100 4.878 4.321 5.332 . 0 0 "[ . 1]" 1
891 1 72 MET QG 1 73 GLU HA . . 5.880 4.479 4.030 5.161 . 0 0 "[ . 1]" 1
892 1 72 MET N 1 82 ALA O . . 3.650 2.938 2.806 3.314 . 0 0 "[ . 1]" 1
893 1 73 GLU H 1 82 ALA H . . 5.490 5.039 4.730 5.262 . 0 0 "[ . 1]" 1
894 1 73 GLU H 1 82 ALA MB . . 6.380 4.883 4.535 5.210 . 0 0 "[ . 1]" 1
895 1 73 GLU HA 1 73 GLU HG2 . . 4.000 3.003 2.962 3.044 . 0 0 "[ . 1]" 1
896 1 73 GLU HA 1 73 GLU HG3 . . 4.000 2.408 2.347 2.441 . 0 0 "[ . 1]" 1
897 1 73 GLU HA 1 82 ALA H . . 4.140 3.012 2.603 3.212 . 0 0 "[ . 1]" 1
898 1 73 GLU HG2 1 80 SER QB . . 6.400 5.455 4.863 6.450 0.050 5 0 "[ . 1]" 1
899 1 73 GLU HG3 1 80 SER QB . . 6.150 5.170 4.740 6.187 0.037 1 0 "[ . 1]" 1
900 1 73 GLU HG3 1 81 VAL H . . 5.850 5.878 5.780 5.928 0.078 9 0 "[ . 1]" 1
901 1 74 ASP H 1 82 ALA H . . 4.510 3.907 3.475 4.198 . 0 0 "[ . 1]" 1
902 1 74 ASP H 1 82 ALA MB . . 4.630 3.394 2.817 3.950 . 0 0 "[ . 1]" 1
903 1 74 ASP HB2 1 75 SER H . . 4.890 3.083 2.168 4.019 . 0 0 "[ . 1]" 1
904 1 75 SER H 1 76 THR HA . . 5.300 5.189 4.967 5.323 0.023 8 0 "[ . 1]" 1
905 1 75 SER H 1 76 THR HB . . 5.080 4.947 4.857 5.063 . 0 0 "[ . 1]" 1
906 1 75 SER H 1 76 THR MG . . 7.090 5.882 5.739 5.954 . 0 0 "[ . 1]" 1
907 1 76 THR H 1 76 THR MG . . 4.790 3.758 3.750 3.763 . 0 0 "[ . 1]" 1
908 1 76 THR HA 1 77 GLU H . . 4.730 3.542 3.530 3.548 . 0 0 "[ . 1]" 1
909 1 76 THR HB 1 80 SER H . . 4.840 4.756 4.323 5.072 0.232 6 0 "[ . 1]" 1
910 1 76 THR MG 1 77 GLU H . . 4.700 3.611 3.577 3.649 . 0 0 "[ . 1]" 1
911 1 78 GLU HB3 1 79 GLY H . . 5.360 4.432 4.324 4.664 . 0 0 "[ . 1]" 1
912 1 79 GLY H 1 80 SER H . . 3.950 2.488 2.245 2.668 . 0 0 "[ . 1]" 1
913 1 79 GLY HA2 1 80 SER H . . 4.570 3.238 3.058 3.350 . 0 0 "[ . 1]" 1
914 1 79 GLY HA3 1 80 SER H . . 4.450 3.392 3.311 3.483 . 0 0 "[ . 1]" 1
915 1 80 SER H 1 80 SER QB . . 3.840 2.421 2.252 2.567 . 0 0 "[ . 1]" 1
916 1 80 SER HA 1 81 VAL MG2 . . 4.880 3.711 3.443 5.266 0.386 4 0 "[ . 1]" 1
917 1 80 SER QB 1 81 VAL H . . 4.570 3.031 2.503 3.660 . 0 0 "[ . 1]" 1
918 1 81 VAL H 1 82 ALA H . . 5.190 4.390 4.273 4.471 . 0 0 "[ . 1]" 1
919 1 81 VAL H 1 82 ALA MB . . 6.350 4.786 4.525 4.906 . 0 0 "[ . 1]" 1
920 1 81 VAL HA 1 82 ALA H . . 3.480 2.227 2.134 2.355 . 0 0 "[ . 1]" 1
921 1 81 VAL HA 1 82 ALA MB . . 5.220 3.854 3.785 3.943 . 0 0 "[ . 1]" 1
922 1 81 VAL QG 1 82 ALA H . . 5.310 2.988 2.527 3.367 . 0 0 "[ . 1]" 1
923 1 81 VAL MG1 1 82 ALA H . . 5.300 3.365 2.705 3.907 . 0 0 "[ . 1]" 1
924 1 82 ALA H 1 83 LEU H . . 4.760 4.367 4.297 4.461 . 0 0 "[ . 1]" 1
925 1 82 ALA H 1 83 LEU HA . . 5.190 4.863 4.714 5.035 . 0 0 "[ . 1]" 1
926 1 82 ALA HA 1 83 LEU H . . 3.700 2.187 2.134 2.257 . 0 0 "[ . 1]" 1
927 1 82 ALA HA 1 111 VAL MG2 . . 7.940 6.791 6.236 7.218 . 0 0 "[ . 1]" 1
928 1 82 ALA MB 1 83 LEU H . . 4.710 2.922 2.738 3.110 . 0 0 "[ . 1]" 1
929 1 83 LEU H 1 83 LEU HB2 . . 4.320 3.046 2.872 3.122 . 0 0 "[ . 1]" 1
930 1 83 LEU HA 1 84 LYS H . . 3.570 2.135 2.112 2.150 . 0 0 "[ . 1]" 1
931 1 83 LEU HA 1 84 LYS HB2 . . 4.910 4.494 4.429 4.547 . 0 0 "[ . 1]" 1
932 1 83 LEU MD1 1 84 LYS H . . 4.410 2.502 2.403 2.681 . 0 0 "[ . 1]" 1
933 1 83 LEU MD1 1 85 ILE HA . . 6.390 4.851 4.716 4.960 . 0 0 "[ . 1]" 1
934 1 83 LEU HG 1 84 LYS H . . 4.940 3.132 3.053 3.211 . 0 0 "[ . 1]" 1
935 1 83 LEU HG 1 84 LYS HA . . 4.590 4.211 4.175 4.254 . 0 0 "[ . 1]" 1
936 1 83 LEU HG 1 84 LYS HB3 . . 5.190 4.974 4.883 5.068 . 0 0 "[ . 1]" 1
937 1 83 LEU HG 1 85 ILE H . . 4.390 4.347 4.189 4.445 0.055 9 0 "[ . 1]" 1
938 1 84 LYS H 1 84 LYS HB2 . . 4.040 2.695 2.668 2.720 . 0 0 "[ . 1]" 1
939 1 84 LYS H 1 84 LYS HB3 . . 4.250 2.521 2.496 2.545 . 0 0 "[ . 1]" 1
940 1 84 LYS H 1 85 ILE HA . . 5.510 5.198 5.117 5.236 . 0 0 "[ . 1]" 1
941 1 84 LYS H 1 85 ILE MG . . 7.510 5.551 5.417 5.738 . 0 0 "[ . 1]" 1
942 1 84 LYS HA 1 85 ILE H . . 3.510 2.154 2.127 2.177 . 0 0 "[ . 1]" 1
943 1 84 LYS HB3 1 85 ILE H . . 6.130 4.287 4.238 4.344 . 0 0 "[ . 1]" 1
944 1 84 LYS HB3 1 85 ILE HA . . 5.220 4.848 4.777 4.882 . 0 0 "[ . 1]" 1
945 1 85 ILE H 1 85 ILE MG . . 4.670 2.098 1.981 2.224 . 0 0 "[ . 1]" 1
946 1 85 ILE HA 1 86 ARG H . . 3.570 2.167 2.111 2.217 . 0 0 "[ . 1]" 1
947 1 85 ILE HA 1 86 ARG QG . . 5.630 3.981 3.546 5.724 0.094 8 0 "[ . 1]" 1
948 1 85 ILE HB 1 86 ARG H . . 4.670 4.225 4.108 4.444 . 0 0 "[ . 1]" 1
949 1 85 ILE MD 1 86 ARG H . . 6.000 3.550 2.355 4.398 . 0 0 "[ . 1]" 1
950 1 85 ILE MG 1 86 ARG H . . 5.240 3.934 3.870 4.004 . 0 0 "[ . 1]" 1
951 1 85 ILE MG 1 88 VAL HA . . 5.300 3.871 3.469 4.260 . 0 0 "[ . 1]" 1
952 1 86 ARG H 1 86 ARG QB . . 3.670 2.422 2.189 2.751 . 0 0 "[ . 1]" 1
953 1 86 ARG H 1 86 ARG QG . . 4.670 2.666 1.926 4.037 . 0 0 "[ . 1]" 1
954 1 86 ARG H 1 87 GLN QG . . 6.310 5.498 5.072 6.351 0.041 9 0 "[ . 1]" 1
955 1 86 ARG HA 1 87 GLN HA . . 5.030 4.408 4.358 4.454 . 0 0 "[ . 1]" 1
956 1 87 GLN H 1 88 VAL H . . 4.230 2.983 2.809 3.283 . 0 0 "[ . 1]" 1
957 1 87 GLN HA 1 88 VAL H . . 3.610 2.537 2.387 2.674 . 0 0 "[ . 1]" 1
958 1 87 GLN QB 1 88 VAL H . . 4.670 3.937 3.901 3.962 . 0 0 "[ . 1]" 1
959 1 88 VAL H 1 88 VAL HB . . 3.910 2.552 2.308 3.625 . 0 0 "[ . 1]" 1
960 1 88 VAL H 1 88 VAL QG . . 4.100 2.227 1.849 2.487 . 0 0 "[ . 1]" 1
961 1 88 VAL H 1 89 GLN H . . 4.880 4.646 4.601 4.705 . 0 0 "[ . 1]" 1
962 1 88 VAL H 1 89 GLN HG3 . . 5.020 4.957 4.725 5.056 0.036 2 0 "[ . 1]" 1
963 1 88 VAL HA 1 89 GLN H . . 3.480 2.300 2.208 2.404 . 0 0 "[ . 1]" 1
964 1 88 VAL HA 1 89 GLN HA . . 4.850 4.479 4.433 4.500 . 0 0 "[ . 1]" 1
965 1 88 VAL HA 1 89 GLN HE21 . . 5.030 3.540 3.363 3.792 . 0 0 "[ . 1]" 1
966 1 88 VAL HA 1 92 ASP H . . 5.360 5.324 5.093 5.438 0.078 5 0 "[ . 1]" 1
967 1 88 VAL HB 1 89 GLN H . . 4.470 3.846 2.572 4.058 . 0 0 "[ . 1]" 1
968 1 88 VAL MG1 1 89 GLN HE21 . . 6.510 4.327 3.257 5.024 . 0 0 "[ . 1]" 1
969 1 89 GLN H 1 89 GLN HB2 . . 4.280 3.699 3.074 3.837 . 0 0 "[ . 1]" 1
970 1 89 GLN H 1 89 GLN HE21 . . 3.870 1.772 1.728 1.940 . 0 0 "[ . 1]" 1
971 1 89 GLN H 1 89 GLN HG2 . . 4.630 4.142 3.824 4.242 . 0 0 "[ . 1]" 1
972 1 89 GLN H 1 89 GLN HG3 . . 4.280 2.659 2.326 2.915 . 0 0 "[ . 1]" 1
973 1 89 GLN H 1 92 ASP H . . 4.950 3.308 3.118 3.429 . 0 0 "[ . 1]" 1
974 1 89 GLN H 1 92 ASP HB2 . . 4.590 2.436 2.248 2.594 . 0 0 "[ . 1]" 1
975 1 89 GLN H 1 92 ASP HB3 . . 5.190 3.215 2.488 3.950 . 0 0 "[ . 1]" 1
976 1 89 GLN H 1 93 ASP H . . 5.000 4.589 4.407 4.742 . 0 0 "[ . 1]" 1
977 1 89 GLN H 1 93 ASP HB2 . . 6.050 6.065 5.835 6.172 0.122 2 0 "[ . 1]" 1
978 1 89 GLN H 1 115 VAL MG2 . . 5.350 3.951 3.163 4.382 . 0 0 "[ . 1]" 1
979 1 89 GLN HA 1 90 PRO HB2 . . 5.660 5.401 5.321 5.444 . 0 0 "[ . 1]" 1
980 1 89 GLN HA 1 92 ASP H . . 5.780 4.658 4.444 4.748 . 0 0 "[ . 1]" 1
981 1 89 GLN HA 1 115 VAL MG1 . . 6.240 4.714 3.485 5.309 . 0 0 "[ . 1]" 1
982 1 89 GLN HB2 1 90 PRO HA . . 5.070 4.818 4.765 4.964 . 0 0 "[ . 1]" 1
983 1 89 GLN HB2 1 92 ASP H . . 4.840 3.858 2.737 4.074 . 0 0 "[ . 1]" 1
984 1 89 GLN HB3 1 92 ASP H . . 5.250 5.189 4.275 5.336 0.086 5 0 "[ . 1]" 1
985 1 89 GLN HE21 1 91 SER HA . . 5.440 5.342 5.023 5.517 0.077 3 0 "[ . 1]" 1
986 1 89 GLN HE21 1 92 ASP H . . 4.390 2.158 1.964 2.461 . 0 0 "[ . 1]" 1
987 1 89 GLN HE21 1 92 ASP HA . . 4.500 3.983 3.842 4.123 . 0 0 "[ . 1]" 1
988 1 89 GLN HE21 1 115 VAL HB . . 6.310 6.276 5.810 6.409 0.099 8 0 "[ . 1]" 1
989 1 89 GLN HE21 1 115 VAL MG2 . . 6.330 4.654 4.152 5.499 . 0 0 "[ . 1]" 1
990 1 89 GLN HE22 1 92 ASP H . . 6.080 2.156 1.953 3.594 . 0 0 "[ . 1]" 1
991 1 89 GLN HG3 1 92 ASP H . . 4.820 4.687 4.496 4.971 0.151 3 0 "[ . 1]" 1
992 1 89 GLN O 1 93 ASP H . . 2.700 2.504 2.444 2.594 . 0 0 "[ . 1]" 1
993 1 89 GLN O 1 93 ASP N . . 3.650 3.369 3.325 3.469 . 0 0 "[ . 1]" 1
994 1 90 PRO HA 1 93 ASP HB3 . . 5.200 3.399 3.172 3.564 . 0 0 "[ . 1]" 1
995 1 90 PRO HA 1 115 VAL MG1 . . 5.500 4.760 4.067 5.408 . 0 0 "[ . 1]" 1
996 1 90 PRO HB2 1 91 SER H . . 5.910 2.687 2.635 2.763 . 0 0 "[ . 1]" 1
997 1 90 PRO HB2 1 93 ASP H . . 5.790 5.232 5.174 5.306 . 0 0 "[ . 1]" 1
998 1 90 PRO HB3 1 93 ASP H . . 5.510 5.188 5.115 5.316 . 0 0 "[ . 1]" 1
999 1 90 PRO HG3 1 117 ALA HA . . 4.750 4.244 3.439 4.775 0.025 6 0 "[ . 1]" 1
1000 1 90 PRO HG3 1 117 ALA MB . . 4.800 3.665 2.638 4.556 . 0 0 "[ . 1]" 1
1001 1 91 SER H 1 115 VAL MG1 . . 7.270 6.300 5.654 6.651 . 0 0 "[ . 1]" 1
1002 1 91 SER HA 1 92 ASP H . . 4.340 3.526 3.502 3.543 . 0 0 "[ . 1]" 1
1003 1 91 SER QB 1 92 ASP H . . 4.890 3.145 2.714 3.584 . 0 0 "[ . 1]" 1
1004 1 91 SER QB 1 93 ASP H . . 5.940 4.877 4.657 5.124 . 0 0 "[ . 1]" 1
1005 1 92 ASP H 1 92 ASP HB2 . . 3.720 2.441 2.348 2.524 . 0 0 "[ . 1]" 1
1006 1 92 ASP H 1 92 ASP HB3 . . 3.850 3.108 2.584 3.616 . 0 0 "[ . 1]" 1
1007 1 92 ASP H 1 93 ASP H . . 3.730 2.539 2.507 2.580 . 0 0 "[ . 1]" 1
1008 1 92 ASP H 1 93 ASP HA . . 5.420 5.171 5.143 5.223 . 0 0 "[ . 1]" 1
1009 1 92 ASP H 1 93 ASP HB2 . . 4.660 4.661 4.578 4.766 0.106 3 0 "[ . 1]" 1
1010 1 92 ASP H 1 115 VAL MG2 . . 5.590 4.177 3.648 5.140 . 0 0 "[ . 1]" 1
1011 1 92 ASP HA 1 93 ASP H . . 4.460 3.517 3.503 3.524 . 0 0 "[ . 1]" 1
1012 1 92 ASP HB3 1 93 ASP H . . 3.620 3.165 2.663 3.649 0.029 10 0 "[ . 1]" 1
1013 1 92 ASP HB3 1 93 ASP HA . . 4.420 4.258 4.076 4.419 . 0 0 "[ . 1]" 1
1014 1 92 ASP HB3 1 94 GLY H . . 5.980 5.775 5.498 5.968 . 0 0 "[ . 1]" 1
1015 1 92 ASP HB3 1 115 VAL H . . 5.890 5.766 4.972 6.088 0.198 6 0 "[ . 1]" 1
1016 1 92 ASP HB3 1 115 VAL MG2 . . 5.840 3.513 2.960 3.963 . 0 0 "[ . 1]" 1
1017 1 93 ASP H 1 93 ASP HB2 . . 3.270 2.347 2.309 2.391 . 0 0 "[ . 1]" 1
1018 1 93 ASP H 1 93 ASP HB3 . . 3.270 2.747 2.638 2.804 . 0 0 "[ . 1]" 1
1019 1 93 ASP H 1 94 GLY H . . 5.060 4.549 4.499 4.581 . 0 0 "[ . 1]" 1
1020 1 93 ASP H 1 113 LEU HB2 . . 6.830 6.770 6.408 7.011 0.181 2 0 "[ . 1]" 1
1021 1 93 ASP H 1 115 VAL H . . 5.540 4.637 3.867 5.180 . 0 0 "[ . 1]" 1
1022 1 93 ASP H 1 115 VAL HB . . 5.400 4.983 3.606 5.406 0.006 8 0 "[ . 1]" 1
1023 1 93 ASP H 1 115 VAL MG2 . . 4.190 2.834 2.414 3.824 . 0 0 "[ . 1]" 1
1024 1 93 ASP HA 1 94 GLY H . . 3.450 2.151 2.125 2.201 . 0 0 "[ . 1]" 1
1025 1 93 ASP HA 1 95 GLN H . . 6.660 6.242 6.147 6.306 . 0 0 "[ . 1]" 1
1026 1 93 ASP HA 1 113 LEU H . . 6.010 5.774 5.593 6.041 0.031 6 0 "[ . 1]" 1
1027 1 93 ASP HA 1 114 GLN HE21 . . 5.080 5.085 4.628 5.230 0.150 5 0 "[ . 1]" 1
1028 1 93 ASP HA 1 115 VAL H . . 4.750 2.886 2.244 3.536 . 0 0 "[ . 1]" 1
1029 1 93 ASP HA 1 115 VAL MG2 . . 4.700 2.694 2.202 3.322 . 0 0 "[ . 1]" 1
1030 1 93 ASP HB2 1 94 GLY H . . 4.860 4.352 4.269 4.490 . 0 0 "[ . 1]" 1
1031 1 93 ASP HB2 1 115 VAL H . . 4.670 3.140 2.164 3.696 . 0 0 "[ . 1]" 1
1032 1 93 ASP HB2 1 115 VAL MG2 . . 4.300 2.232 1.909 3.438 . 0 0 "[ . 1]" 1
1033 1 93 ASP HB3 1 94 GLY H . . 4.640 4.117 3.996 4.225 . 0 0 "[ . 1]" 1
1034 1 93 ASP HB3 1 115 VAL H . . 4.800 4.424 3.523 4.825 0.025 9 0 "[ . 1]" 1
1035 1 93 ASP HB3 1 115 VAL MG2 . . 4.730 3.636 3.316 4.817 0.087 2 0 "[ . 1]" 1
1036 1 94 GLY H 1 95 GLN H . . 5.070 4.380 4.303 4.435 . 0 0 "[ . 1]" 1
1037 1 94 GLY H 1 95 GLN HE22 . . 6.310 5.393 4.766 6.350 0.040 2 0 "[ . 1]" 1
1038 1 94 GLY H 1 113 LEU H . . 4.890 4.092 3.871 4.294 . 0 0 "[ . 1]" 1
1039 1 94 GLY H 1 113 LEU HA . . 5.650 5.249 5.004 5.376 . 0 0 "[ . 1]" 1
1040 1 94 GLY H 1 113 LEU HB2 . . 4.610 3.882 3.119 4.358 . 0 0 "[ . 1]" 1
1041 1 94 GLY H 1 113 LEU HB3 . . 5.410 4.831 4.089 5.477 0.067 4 0 "[ . 1]" 1
1042 1 94 GLY H 1 113 LEU O . . 2.550 2.126 1.892 2.306 . 0 0 "[ . 1]" 1
1043 1 94 GLY H 1 114 GLN HA . . 5.070 3.084 2.296 3.493 . 0 0 "[ . 1]" 1
1044 1 94 GLY H 1 114 GLN QB . . 6.680 4.900 3.963 5.323 . 0 0 "[ . 1]" 1
1045 1 94 GLY H 1 114 GLN HE21 . . 5.340 3.464 2.990 3.976 . 0 0 "[ . 1]" 1
1046 1 94 GLY H 1 114 GLN HE22 . . 5.160 4.136 3.000 4.979 . 0 0 "[ . 1]" 1
1047 1 94 GLY H 1 115 VAL MG2 . . 6.740 4.449 4.094 4.998 . 0 0 "[ . 1]" 1
1048 1 94 GLY HA2 1 95 GLN H . . 3.470 2.895 2.857 2.972 . 0 0 "[ . 1]" 1
1049 1 94 GLY HA3 1 95 GLN H . . 3.670 2.281 2.241 2.328 . 0 0 "[ . 1]" 1
1050 1 94 GLY HA3 1 112 LEU QD . . 10.310 6.393 5.254 7.200 . 0 0 "[ . 1]" 1
1051 1 94 GLY HA3 1 113 LEU H . . 5.920 5.524 5.311 5.764 . 0 0 "[ . 1]" 1
1052 1 94 GLY N 1 113 LEU O . . 3.650 3.060 2.832 3.223 . 0 0 "[ . 1]" 1
1053 1 94 GLY O 1 113 LEU H . . 2.680 2.373 2.217 2.537 . 0 0 "[ . 1]" 1
1054 1 94 GLY O 1 113 LEU N . . 3.650 3.202 3.061 3.364 . 0 0 "[ . 1]" 1
1055 1 95 GLN H 1 95 GLN QB . . 3.740 2.574 2.395 3.017 . 0 0 "[ . 1]" 1
1056 1 95 GLN H 1 96 TYR H . . 5.680 4.528 4.477 4.546 . 0 0 "[ . 1]" 1
1057 1 95 GLN H 1 111 VAL H . . 6.580 6.366 6.165 6.588 0.008 3 0 "[ . 1]" 1
1058 1 95 GLN H 1 114 GLN HE22 . . 6.520 5.760 5.036 6.131 . 0 0 "[ . 1]" 1
1059 1 95 GLN HA 1 95 GLN HE21 . . 5.380 3.921 3.116 4.596 . 0 0 "[ . 1]" 1
1060 1 95 GLN HA 1 95 GLN HE22 . . 5.650 4.637 3.474 5.224 . 0 0 "[ . 1]" 1
1061 1 95 GLN HA 1 111 VAL H . . 4.260 4.008 3.830 4.192 . 0 0 "[ . 1]" 1
1062 1 95 GLN HA 1 111 VAL MG2 . . 7.070 5.384 3.674 5.925 . 0 0 "[ . 1]" 1
1063 1 95 GLN HA 1 112 LEU H . . 5.650 5.310 5.101 5.591 . 0 0 "[ . 1]" 1
1064 1 95 GLN HA 1 112 LEU QB . . 6.580 5.305 4.992 5.660 . 0 0 "[ . 1]" 1
1065 1 95 GLN QB 1 97 TRP H . . 6.680 5.162 4.854 5.404 . 0 0 "[ . 1]" 1
1066 1 95 GLN QB 1 110 SER HB2 . . 6.880 2.530 2.070 3.486 . 0 0 "[ . 1]" 1
1067 1 95 GLN HE21 1 112 LEU HA . . 5.820 4.029 3.065 5.655 . 0 0 "[ . 1]" 1
1068 1 95 GLN HE22 1 112 LEU HA . . 6.130 4.751 1.903 6.150 0.020 7 0 "[ . 1]" 1
1069 1 95 GLN HE22 1 113 LEU H . . 6.460 5.027 2.445 6.499 0.039 2 0 "[ . 1]" 1
1070 1 95 GLN QG 1 110 SER HB2 . . 4.910 3.753 3.272 4.504 . 0 0 "[ . 1]" 1
1071 1 95 GLN QG 1 111 VAL H . . 5.950 4.478 4.065 5.371 . 0 0 "[ . 1]" 1
1072 1 96 TYR H 1 97 TRP HB3 . . 7.440 7.003 6.850 7.079 . 0 0 "[ . 1]" 1
1073 1 96 TYR H 1 110 SER HA . . 4.230 4.074 3.746 4.280 0.050 2 0 "[ . 1]" 1
1074 1 96 TYR H 1 110 SER HB2 . . 4.460 4.064 3.460 4.653 0.193 3 0 "[ . 1]" 1
1075 1 96 TYR H 1 111 VAL HA . . 5.120 4.765 4.677 4.867 . 0 0 "[ . 1]" 1
1076 1 96 TYR H 1 111 VAL QG . . 5.450 3.587 2.239 4.060 . 0 0 "[ . 1]" 1
1077 1 96 TYR H 1 111 VAL O . . 2.840 2.369 2.085 2.500 . 0 0 "[ . 1]" 1
1078 1 96 TYR H 1 112 LEU H . . 5.760 5.343 5.067 5.532 . 0 0 "[ . 1]" 1
1079 1 96 TYR HB2 1 110 SER HA . . 6.100 5.693 4.995 6.127 0.027 10 0 "[ . 1]" 1
1080 1 96 TYR HB3 1 97 TRP H . . 5.080 3.821 3.109 4.427 . 0 0 "[ . 1]" 1
1081 1 96 TYR HB3 1 111 VAL H . . 5.390 4.965 4.844 5.205 . 0 0 "[ . 1]" 1
1082 1 96 TYR N 1 111 VAL O . . 3.650 3.268 2.986 3.436 . 0 0 "[ . 1]" 1
1083 1 96 TYR O 1 111 VAL H . . 2.550 2.056 1.883 2.297 . 0 0 "[ . 1]" 1
1084 1 96 TYR O 1 111 VAL N . . 3.650 2.809 2.716 2.992 . 0 0 "[ . 1]" 1
1085 1 97 TRP H 1 98 CYS H . . 4.910 4.430 4.376 4.527 . 0 0 "[ . 1]" 1
1086 1 97 TRP H 1 109 THR H . . 6.680 6.526 6.165 6.823 0.143 6 0 "[ . 1]" 1
1087 1 97 TRP H 1 110 SER H . . 6.660 6.789 6.697 7.024 0.364 2 0 "[ . 1]" 1
1088 1 97 TRP H 1 110 SER HA . . 4.240 4.267 4.188 4.327 0.087 3 0 "[ . 1]" 1
1089 1 97 TRP H 1 110 SER HB2 . . 5.340 5.310 5.182 5.425 0.085 9 0 "[ . 1]" 1
1090 1 97 TRP H 1 111 VAL MG2 . . 7.300 5.383 4.509 5.844 . 0 0 "[ . 1]" 1
1091 1 97 TRP HA 1 98 CYS H . . 3.460 2.133 2.100 2.167 . 0 0 "[ . 1]" 1
1092 1 97 TRP HA 1 110 SER HB2 . . 4.590 4.098 3.832 4.265 . 0 0 "[ . 1]" 1
1093 1 97 TRP HB2 1 98 CYS H . . 5.080 4.301 4.181 4.375 . 0 0 "[ . 1]" 1
1094 1 97 TRP HB2 1 111 VAL H . . 6.800 6.345 6.193 6.576 . 0 0 "[ . 1]" 1
1095 1 97 TRP HB3 1 109 THR HA . . 5.010 4.943 4.834 5.107 0.097 2 0 "[ . 1]" 1
1096 1 97 TRP HB3 1 111 VAL H . . 6.750 6.237 6.046 6.435 . 0 0 "[ . 1]" 1
1097 1 98 CYS H 1 108 GLU HA . . 5.520 4.512 4.358 4.690 . 0 0 "[ . 1]" 1
1098 1 98 CYS H 1 108 GLU O . . 5.920 5.735 5.496 5.969 0.049 9 0 "[ . 1]" 1
1099 1 98 CYS H 1 109 THR H . . 4.700 2.821 2.647 2.977 . 0 0 "[ . 1]" 1
1100 1 98 CYS H 1 110 SER HA . . 4.130 3.412 3.282 3.758 . 0 0 "[ . 1]" 1
1101 1 98 CYS H 1 111 VAL H . . 5.390 4.769 4.464 5.053 . 0 0 "[ . 1]" 1
1102 1 98 CYS HB3 1 99 ARG H . . 4.930 4.252 3.073 4.430 . 0 0 "[ . 1]" 1
1103 1 98 CYS N 1 108 GLU O . . 6.340 6.272 6.081 6.428 0.088 9 0 "[ . 1]" 1
1104 1 98 CYS O 1 109 THR H . . 2.900 2.362 2.207 2.445 . 0 0 "[ . 1]" 1
1105 1 98 CYS O 1 109 THR N . . 3.770 3.226 3.124 3.313 . 0 0 "[ . 1]" 1
1106 1 99 ARG H 1 99 ARG HB3 . . 3.860 2.931 2.422 3.671 . 0 0 "[ . 1]" 1
1107 1 99 ARG H 1 100 PHE H . . 4.740 4.377 4.133 4.500 . 0 0 "[ . 1]" 1
1108 1 99 ARG H 1 106 TRP HB2 . . 6.980 7.050 6.960 7.124 0.144 6 0 "[ . 1]" 1
1109 1 99 ARG H 1 106 TRP HD1 . . 6.910 7.025 6.940 7.099 0.189 1 0 "[ . 1]" 1
1110 1 99 ARG H 1 108 GLU HA . . 6.850 4.814 4.561 5.134 . 0 0 "[ . 1]" 1
1111 1 99 ARG H 1 108 GLU HB2 . . 5.700 4.761 4.137 5.612 . 0 0 "[ . 1]" 1
1112 1 99 ARG HA 1 100 PHE H . . 3.740 2.138 2.080 2.235 . 0 0 "[ . 1]" 1
1113 1 99 ARG HA 1 107 ARG H . . 4.890 4.393 4.184 4.550 . 0 0 "[ . 1]" 1
1114 1 99 ARG HA 1 108 GLU H . . 4.910 4.703 4.446 4.980 0.070 9 0 "[ . 1]" 1
1115 1 99 ARG HA 1 108 GLU HA . . 4.490 2.586 2.260 3.025 . 0 0 "[ . 1]" 1
1116 1 99 ARG HA 1 108 GLU HB2 . . 5.130 3.385 2.909 4.051 . 0 0 "[ . 1]" 1
1117 1 99 ARG HA 1 109 THR H . . 5.180 4.125 3.899 4.407 . 0 0 "[ . 1]" 1
1118 1 99 ARG HB2 1 100 PHE H . . 4.890 4.317 4.084 4.604 . 0 0 "[ . 1]" 1
1119 1 99 ARG HB3 1 100 PHE H . . 4.660 3.887 3.004 4.283 . 0 0 "[ . 1]" 1
1120 1 99 ARG HB3 1 106 TRP HD1 . . 5.990 4.833 3.808 5.432 . 0 0 "[ . 1]" 1
1121 1 99 ARG QG 1 100 PHE H . . 5.600 3.203 2.662 3.907 . 0 0 "[ . 1]" 1
1122 1 99 ARG QG 1 106 TRP HB2 . . 4.600 3.415 2.700 4.731 0.131 9 0 "[ . 1]" 1
1123 1 100 PHE H 1 101 GLN QB . . 6.270 5.021 4.622 5.599 . 0 0 "[ . 1]" 1
1124 1 100 PHE H 1 101 GLN QG . . 7.720 6.198 4.128 7.045 . 0 0 "[ . 1]" 1
1125 1 100 PHE H 1 106 TRP HA . . 5.000 4.791 4.376 4.974 . 0 0 "[ . 1]" 1
1126 1 100 PHE H 1 106 TRP HB2 . . 4.410 3.785 3.397 4.051 . 0 0 "[ . 1]" 1
1127 1 100 PHE H 1 106 TRP HD1 . . 5.770 4.700 4.412 4.950 . 0 0 "[ . 1]" 1
1128 1 100 PHE H 1 107 ARG H . . 4.470 2.976 2.572 3.117 . 0 0 "[ . 1]" 1
1129 1 100 PHE H 1 107 ARG HA . . 5.150 4.936 4.741 5.048 . 0 0 "[ . 1]" 1
1130 1 100 PHE H 1 107 ARG HB2 . . 5.720 5.226 4.428 5.775 0.055 6 0 "[ . 1]" 1
1131 1 100 PHE H 1 107 ARG HB3 . . 4.850 4.512 3.906 5.070 0.220 5 0 "[ . 1]" 1
1132 1 100 PHE H 1 107 ARG O . . 2.550 2.048 1.904 2.234 . 0 0 "[ . 1]" 1
1133 1 100 PHE H 1 108 GLU HA . . 4.730 3.636 3.432 3.897 . 0 0 "[ . 1]" 1
1134 1 100 PHE H 1 108 GLU HB2 . . 5.670 5.210 4.678 5.713 0.043 3 0 "[ . 1]" 1
1135 1 100 PHE H 1 108 GLU HB3 . . 4.610 4.086 3.378 4.760 0.150 9 0 "[ . 1]" 1
1136 1 100 PHE HA 1 101 GLN H . . 3.560 2.161 2.138 2.189 . 0 0 "[ . 1]" 1
1137 1 100 PHE HA 1 107 ARG H . . 5.550 4.959 4.717 5.118 . 0 0 "[ . 1]" 1
1138 1 100 PHE HB2 1 106 TRP HB3 . . 7.390 7.077 6.664 7.232 . 0 0 "[ . 1]" 1
1139 1 100 PHE HB2 1 108 GLU HA . . 6.160 5.557 5.208 5.984 . 0 0 "[ . 1]" 1
1140 1 100 PHE HB3 1 101 GLN H . . 4.770 4.308 4.243 4.345 . 0 0 "[ . 1]" 1
1141 1 100 PHE HB3 1 101 GLN HA . . 5.220 4.840 4.700 4.906 . 0 0 "[ . 1]" 1
1142 1 100 PHE N 1 107 ARG O . . 3.650 3.007 2.865 3.214 . 0 0 "[ . 1]" 1
1143 1 100 PHE O 1 107 ARG H . . 2.670 2.328 2.125 2.432 . 0 0 "[ . 1]" 1
1144 1 100 PHE O 1 107 ARG N . . 3.650 3.227 3.056 3.308 . 0 0 "[ . 1]" 1
1145 1 101 GLN H 1 101 GLN QB . . 3.720 2.446 2.401 2.485 . 0 0 "[ . 1]" 1
1146 1 101 GLN H 1 101 GLN QG . . 4.850 3.954 2.861 4.140 . 0 0 "[ . 1]" 1
1147 1 101 GLN H 1 106 TRP HA . . 5.810 5.258 5.111 5.422 . 0 0 "[ . 1]" 1
1148 1 101 GLN H 1 106 TRP HB3 . . 4.910 4.798 4.657 4.900 . 0 0 "[ . 1]" 1
1149 1 101 GLN H 1 107 ARG H . . 5.500 5.360 5.181 5.460 . 0 0 "[ . 1]" 1
1150 1 101 GLN HA 1 102 GLU H . . 4.040 2.094 2.078 2.110 . 0 0 "[ . 1]" 1
1151 1 101 GLN HA 1 102 GLU HB3 . . 5.000 4.629 4.464 4.773 . 0 0 "[ . 1]" 1
1152 1 101 GLN HA 1 106 TRP H . . 5.510 5.058 4.866 5.271 . 0 0 "[ . 1]" 1
1153 1 101 GLN HA 1 106 TRP HA . . 4.440 2.997 2.660 3.282 . 0 0 "[ . 1]" 1
1154 1 101 GLN HA 1 106 TRP HB3 . . 5.140 2.122 2.066 2.235 . 0 0 "[ . 1]" 1
1155 1 101 GLN HA 1 107 ARG H . . 4.730 4.196 3.892 4.480 . 0 0 "[ . 1]" 1
1156 1 101 GLN QB 1 102 GLU H . . 4.760 3.686 3.083 3.821 . 0 0 "[ . 1]" 1
1157 1 101 GLN QB 1 107 ARG H . . 6.500 5.334 4.950 5.796 . 0 0 "[ . 1]" 1
1158 1 101 GLN QG 1 102 GLU HA . . 5.460 3.848 3.442 5.586 0.126 10 0 "[ . 1]" 1
1159 1 101 GLN QG 1 105 TYR H . . 6.040 4.912 4.289 6.142 0.102 10 0 "[ . 1]" 1
1160 1 101 GLN QG 1 107 ARG H . . 7.030 5.685 4.328 6.771 . 0 0 "[ . 1]" 1
1161 1 102 GLU H 1 107 ARG H . . 5.680 5.399 5.199 5.529 . 0 0 "[ . 1]" 1
1162 1 102 GLU HA 1 103 GLY H . . 3.710 2.176 2.161 2.192 . 0 0 "[ . 1]" 1
1163 1 103 GLY HA2 1 104 ASP H . . 5.740 3.179 3.159 3.199 . 0 0 "[ . 1]" 1
1164 1 104 ASP H 1 105 TYR H . . 3.770 2.497 2.418 2.550 . 0 0 "[ . 1]" 1
1165 1 104 ASP HB2 1 105 TYR H . . 4.650 4.254 3.761 4.510 . 0 0 "[ . 1]" 1
1166 1 105 TYR H 1 105 TYR HB3 . . 4.090 3.028 2.662 3.794 . 0 0 "[ . 1]" 1
1167 1 105 TYR H 1 105 TYR QD . . 4.880 3.882 2.807 4.341 . 0 0 "[ . 1]" 1
1168 1 105 TYR HA 1 106 TRP H . . 3.800 2.204 2.185 2.216 . 0 0 "[ . 1]" 1
1169 1 106 TRP HA 1 107 ARG H . . 3.710 2.358 2.321 2.379 . 0 0 "[ . 1]" 1
1170 1 106 TRP HB2 1 107 ARG H . . 4.080 2.538 2.507 2.566 . 0 0 "[ . 1]" 1
1171 1 106 TRP HB3 1 107 ARG H . . 4.470 3.840 3.811 3.857 . 0 0 "[ . 1]" 1
1172 1 106 TRP HD1 1 107 ARG H . . 4.520 3.642 3.566 3.759 . 0 0 "[ . 1]" 1
1173 1 106 TRP HE1 1 107 ARG HA . . 5.710 5.335 5.114 5.534 . 0 0 "[ . 1]" 1
1174 1 107 ARG H 1 107 ARG HB3 . . 4.260 3.131 2.717 3.704 . 0 0 "[ . 1]" 1
1175 1 107 ARG H 1 107 ARG QG . . 5.090 4.035 3.341 4.334 . 0 0 "[ . 1]" 1
1176 1 107 ARG HA 1 108 GLU H . . 3.550 2.268 2.206 2.308 . 0 0 "[ . 1]" 1
1177 1 107 ARG HB2 1 108 GLU H . . 4.850 4.171 4.057 4.265 . 0 0 "[ . 1]" 1
1178 1 107 ARG HB3 1 108 GLU H . . 4.880 3.637 2.939 4.045 . 0 0 "[ . 1]" 1
1179 1 108 GLU H 1 108 GLU HB2 . . 4.280 3.880 3.805 3.993 . 0 0 "[ . 1]" 1
1180 1 108 GLU H 1 109 THR H . . 5.940 4.445 4.381 4.482 . 0 0 "[ . 1]" 1
1181 1 108 GLU HA 1 109 THR H . . 3.650 2.255 2.199 2.325 . 0 0 "[ . 1]" 1
1182 1 108 GLU HB2 1 109 THR H . . 3.840 2.711 2.528 3.110 . 0 0 "[ . 1]" 1
1183 1 109 THR HA 1 110 SER H . . 3.540 2.398 2.237 2.911 . 0 0 "[ . 1]" 1
1184 1 109 THR HB 1 110 SER H . . 4.540 3.769 2.911 4.116 . 0 0 "[ . 1]" 1
1185 1 109 THR MG 1 110 SER H . . 5.090 2.913 2.122 3.863 . 0 0 "[ . 1]" 1
1186 1 110 SER H 1 110 SER HB3 . . 4.350 2.675 2.322 3.315 . 0 0 "[ . 1]" 1
1187 1 110 SER H 1 111 VAL H . . 4.890 4.558 4.331 4.641 . 0 0 "[ . 1]" 1
1188 1 110 SER HA 1 111 VAL H . . 3.520 2.287 2.213 2.360 . 0 0 "[ . 1]" 1
1189 1 110 SER HA 1 111 VAL MG2 . . 5.060 3.438 3.297 3.746 . 0 0 "[ . 1]" 1
1190 1 110 SER HB2 1 111 VAL H . . 4.200 2.855 2.511 3.847 . 0 0 "[ . 1]" 1
1191 1 110 SER HB3 1 111 VAL H . . 4.680 3.935 3.841 4.131 . 0 0 "[ . 1]" 1
1192 1 111 VAL H 1 111 VAL HB . . 4.260 2.947 2.693 3.839 . 0 0 "[ . 1]" 1
1193 1 111 VAL H 1 112 LEU H . . 5.080 4.456 4.394 4.511 . 0 0 "[ . 1]" 1
1194 1 111 VAL HA 1 112 LEU H . . 3.320 2.305 2.238 2.356 . 0 0 "[ . 1]" 1
1195 1 111 VAL HA 1 112 LEU QB . . 5.520 4.407 4.189 4.636 . 0 0 "[ . 1]" 1
1196 1 111 VAL QG 1 112 LEU H . . 4.590 2.443 1.900 3.338 . 0 0 "[ . 1]" 1
1197 1 111 VAL MG2 1 112 LEU HA . . 7.150 5.392 4.177 5.709 . 0 0 "[ . 1]" 1
1198 1 113 LEU H 1 114 GLN H . . 5.290 4.131 3.905 4.237 . 0 0 "[ . 1]" 1
1199 1 113 LEU H 1 114 GLN HA . . 5.050 4.774 4.679 4.866 . 0 0 "[ . 1]" 1
1200 1 113 LEU HA 1 114 GLN H . . 3.330 2.144 2.103 2.196 . 0 0 "[ . 1]" 1
1201 1 113 LEU HA 1 114 GLN QG . . 6.170 4.616 3.737 5.983 . 0 0 "[ . 1]" 1
1202 1 113 LEU HB2 1 114 GLN HE22 . . 5.590 5.145 4.523 5.777 0.187 4 0 "[ . 1]" 1
1203 1 113 LEU HB3 1 114 GLN H . . 4.900 3.578 3.276 3.920 . 0 0 "[ . 1]" 1
1204 1 114 GLN H 1 115 VAL MG1 . . 6.710 4.601 4.057 6.369 . 0 0 "[ . 1]" 1
1205 1 114 GLN H 1 115 VAL MG2 . . 7.530 5.296 4.483 5.694 . 0 0 "[ . 1]" 1
1206 1 114 GLN HA 1 115 VAL H . . 3.270 2.186 2.140 2.269 . 0 0 "[ . 1]" 1
1207 1 114 GLN HA 1 115 VAL MG1 . . 5.970 3.961 3.381 5.519 . 0 0 "[ . 1]" 1
1208 1 114 GLN HA 1 115 VAL MG2 . . 5.440 3.670 3.583 3.800 . 0 0 "[ . 1]" 1
1209 1 114 GLN QB 1 115 VAL H . . 4.500 3.266 2.885 3.929 . 0 0 "[ . 1]" 1
1210 1 114 GLN QB 1 116 ALA H . . 6.320 5.271 5.002 5.602 . 0 0 "[ . 1]" 1
1211 1 114 GLN QG 1 115 VAL H . . 5.750 4.197 3.626 4.635 . 0 0 "[ . 1]" 1
1212 1 115 VAL H 1 115 VAL HB . . 4.060 3.488 2.560 3.801 . 0 0 "[ . 1]" 1
1213 1 115 VAL H 1 115 VAL MG2 . . 3.890 2.035 1.897 2.540 . 0 0 "[ . 1]" 1
1214 1 115 VAL H 1 116 ALA H . . 5.510 4.496 4.400 4.585 . 0 0 "[ . 1]" 1
1215 1 115 VAL H 1 116 ALA HA . . 5.780 5.248 5.012 5.475 . 0 0 "[ . 1]" 1
1216 1 115 VAL HA 1 116 ALA H . . 3.190 2.155 2.136 2.189 . 0 0 "[ . 1]" 1
1217 1 115 VAL HA 1 116 ALA MB . . 5.250 3.962 3.929 4.003 . 0 0 "[ . 1]" 1
1218 1 115 VAL HB 1 116 ALA H . . 4.900 3.338 3.052 4.233 . 0 0 "[ . 1]" 1
1219 1 115 VAL HB 1 117 ALA HA . . 5.540 5.581 5.547 5.636 0.096 3 0 "[ . 1]" 1
1220 1 115 VAL MG1 1 116 ALA H . . 5.530 3.660 2.594 3.969 . 0 0 "[ . 1]" 1
1221 1 115 VAL MG2 1 116 ALA H . . 5.300 3.961 3.899 4.083 . 0 0 "[ . 1]" 1
1222 1 115 VAL MG2 1 116 ALA HA . . 6.080 4.734 4.453 5.773 . 0 0 "[ . 1]" 1
1223 1 116 ALA H 1 116 ALA MB . . 3.500 2.134 2.060 2.238 . 0 0 "[ . 1]" 1
1224 1 116 ALA H 1 117 ALA H . . 4.890 4.614 4.601 4.631 . 0 0 "[ . 1]" 1
1225 1 116 ALA H 1 117 ALA MB . . 7.250 5.660 5.284 5.793 . 0 0 "[ . 1]" 1
1226 1 116 ALA HA 1 117 ALA H . . 3.130 2.217 2.204 2.237 . 0 0 "[ . 1]" 1
1227 1 116 ALA MB 1 117 ALA H . . 4.500 2.904 2.861 2.953 . 0 0 "[ . 1]" 1
1228 1 116 ALA MB 1 117 ALA HA . . 5.880 4.230 4.053 4.353 . 0 0 "[ . 1]" 1
1229 1 117 ALA H 1 117 ALA MB . . 3.260 2.336 2.214 2.533 . 0 0 "[ . 1]" 1
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