NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
547040 |
2lu7   |
18511 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lu7
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 1216
_Distance_constraint_stats_list.Viol_count 873
_Distance_constraint_stats_list.Viol_total 1688.411
_Distance_constraint_stats_list.Viol_max 0.439
_Distance_constraint_stats_list.Viol_rms 0.0228
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0967
_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 3 MET 1.547 0.178 3 0 "[ . 1 . 2]"
1 4 THR 12.248 0.390 5 0 "[ . 1 . 2]"
1 5 ARG 0.221 0.145 12 0 "[ . 1 . 2]"
1 6 VAL 3.278 0.198 16 0 "[ . 1 . 2]"
1 7 ARG 0.148 0.124 2 0 "[ . 1 . 2]"
1 8 SER 0.021 0.015 20 0 "[ . 1 . 2]"
1 9 THR 9.069 0.439 8 0 "[ . 1 . 2]"
1 10 PRO 9.053 0.439 8 0 "[ . 1 . 2]"
1 11 GLY 0.545 0.156 2 0 "[ . 1 . 2]"
1 12 GLY 0.414 0.126 17 0 "[ . 1 . 2]"
1 13 ASP 0.008 0.008 3 0 "[ . 1 . 2]"
1 14 LEU 0.407 0.089 12 0 "[ . 1 . 2]"
1 15 GLU 2.565 0.190 12 0 "[ . 1 . 2]"
1 16 LEU 0.403 0.167 6 0 "[ . 1 . 2]"
1 17 VAL 0.194 0.115 18 0 "[ . 1 . 2]"
1 18 VAL 1.770 0.167 6 0 "[ . 1 . 2]"
1 19 HIS 0.515 0.131 10 0 "[ . 1 . 2]"
1 20 LEU 9.215 0.390 5 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 1.286 0.228 19 0 "[ . 1 . 2]"
1 23 PRO 1.172 0.228 19 0 "[ . 1 . 2]"
1 25 GLY 0.235 0.212 14 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 1.441 0.212 14 0 "[ . 1 . 2]"
1 28 ARG 1.037 0.149 12 0 "[ . 1 . 2]"
1 29 TRP 4.496 0.177 1 0 "[ . 1 . 2]"
1 30 TYR 4.332 0.265 2 0 "[ . 1 . 2]"
1 31 LYS 12.328 0.294 7 0 "[ . 1 . 2]"
1 32 ASP 2.078 0.294 7 0 "[ . 1 . 2]"
1 33 GLY 0.796 0.194 10 0 "[ . 1 . 2]"
1 34 GLU 4.267 0.311 3 0 "[ . 1 . 2]"
1 35 ARG 7.400 0.311 3 0 "[ . 1 . 2]"
1 36 LEU 9.578 0.364 14 0 "[ . 1 . 2]"
1 37 ALA 1.597 0.259 10 0 "[ . 1 . 2]"
1 38 SER 0.094 0.075 13 0 "[ . 1 . 2]"
1 39 GLN 2.422 0.284 5 0 "[ . 1 . 2]"
1 41 ARG 0.233 0.145 12 0 "[ . 1 . 2]"
1 42 VAL 0.927 0.209 3 0 "[ . 1 . 2]"
1 43 GLN 0.423 0.093 15 0 "[ . 1 . 2]"
1 44 LEU 3.037 0.152 5 0 "[ . 1 . 2]"
1 45 GLU 1.663 0.126 11 0 "[ . 1 . 2]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.667 0.115 17 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.088 0.034 16 0 "[ . 1 . 2]"
1 50 ARG 1.823 0.131 10 0 "[ . 1 . 2]"
1 51 GLN 2.252 0.241 18 0 "[ . 1 . 2]"
1 52 VAL 0.898 0.156 9 0 "[ . 1 . 2]"
1 53 LEU 9.005 0.364 14 0 "[ . 1 . 2]"
1 54 ARG 0.306 0.076 17 0 "[ . 1 . 2]"
1 55 VAL 0.230 0.141 12 0 "[ . 1 . 2]"
1 56 GLN 0.033 0.033 12 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 1.088 0.156 2 0 "[ . 1 . 2]"
1 59 ARG 1.611 0.267 6 0 "[ . 1 . 2]"
1 62 ASP 1.069 0.267 6 0 "[ . 1 . 2]"
1 63 ALA 4.770 0.207 5 0 "[ . 1 . 2]"
1 64 GLY 5.082 0.207 5 0 "[ . 1 . 2]"
1 65 GLU 2.896 0.224 4 0 "[ . 1 . 2]"
1 66 TYR 7.215 0.224 4 0 "[ . 1 . 2]"
1 67 LEU 0.922 0.194 10 0 "[ . 1 . 2]"
1 68 CYS 0.223 0.088 2 0 "[ . 1 . 2]"
1 69 ASP 0.134 0.049 10 0 "[ . 1 . 2]"
1 70 ALA 0.017 0.017 19 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLN 0.101 0.041 19 0 "[ . 1 . 2]"
1 73 ASP 0.017 0.017 19 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ARG 1.038 0.154 7 0 "[ . 1 . 2]"
1 76 ILE 1.650 0.178 3 0 "[ . 1 . 2]"
1 77 PHE 3.533 0.246 17 0 "[ . 1 . 2]"
1 78 LEU 0.301 0.145 12 0 "[ . 1 . 2]"
1 79 VAL 0.833 0.190 3 0 "[ . 1 . 2]"
1 80 SER 0.598 0.100 15 0 "[ . 1 . 2]"
1 81 VAL 1.248 0.150 7 0 "[ . 1 . 2]"
1 82 GLU 1.069 0.260 18 0 "[ . 1 . 2]"
1 83 GLU 0.145 0.074 11 0 "[ . 1 . 2]"
1 84 PRO 5.415 0.350 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 MET HA 1 4 THR H 3.530 . 3.530 2.293 2.159 2.562 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET HA 1 4 THR HB 6.300 . 6.300 5.182 4.698 5.923 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET HA 1 76 ILE H 4.570 . 4.570 4.036 3.152 4.657 0.087 8 0 "[ . 1 . 2]" 1
4 1 3 MET HA 1 76 ILE HB 5.060 . 5.060 4.354 3.183 5.153 0.093 16 0 "[ . 1 . 2]" 1
5 1 3 MET HA 1 76 ILE MG 5.730 . 5.730 5.251 4.373 5.896 0.166 16 0 "[ . 1 . 2]" 1
6 1 3 MET QB 1 4 THR H 4.780 . 4.780 3.012 2.117 3.839 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET QB 1 76 ILE HB 4.940 . 4.940 3.523 2.398 4.955 0.015 15 0 "[ . 1 . 2]" 1
8 1 3 MET QB 1 76 ILE MD 5.520 . 5.520 4.702 3.533 5.559 0.039 10 0 "[ . 1 . 2]" 1
9 1 3 MET QB 1 76 ILE MG 5.380 . 5.380 3.771 2.854 5.376 . 0 0 "[ . 1 . 2]" 1
10 1 3 MET QB 1 78 LEU MD1 5.840 . 5.840 3.090 2.321 4.797 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET QB 1 78 LEU MD2 6.300 . 6.300 4.110 3.058 5.911 . 0 0 "[ . 1 . 2]" 1
12 1 3 MET ME 1 76 ILE HA 6.300 . 6.300 5.460 4.386 6.478 0.178 3 0 "[ . 1 . 2]" 1
13 1 3 MET ME 1 76 ILE MD 5.740 . 5.740 2.830 1.934 4.955 . 0 0 "[ . 1 . 2]" 1
14 1 3 MET ME 1 76 ILE MG 4.960 . 4.960 3.422 2.079 4.367 . 0 0 "[ . 1 . 2]" 1
15 1 3 MET ME 1 78 LEU MD1 5.700 . 5.700 3.855 1.846 5.094 . 0 0 "[ . 1 . 2]" 1
16 1 3 MET HG2 1 4 THR H 5.860 . 5.860 4.399 2.745 5.237 . 0 0 "[ . 1 . 2]" 1
17 1 3 MET HG2 1 76 ILE HB 5.290 . 5.290 3.137 1.937 5.254 . 0 0 "[ . 1 . 2]" 1
18 1 3 MET HG2 1 76 ILE MD 6.300 . 6.300 4.393 2.778 6.355 0.055 18 0 "[ . 1 . 2]" 1
19 1 3 MET HG2 1 76 ILE MG 5.020 . 5.020 3.540 2.488 5.022 0.002 18 0 "[ . 1 . 2]" 1
20 1 3 MET HG2 1 78 LEU MD2 5.730 . 5.730 3.911 2.938 5.283 . 0 0 "[ . 1 . 2]" 1
21 1 3 MET HG3 1 4 THR H 5.130 . 5.130 3.926 2.692 5.111 . 0 0 "[ . 1 . 2]" 1
22 1 3 MET HG3 1 76 ILE HB 5.110 . 5.110 2.702 1.766 4.341 . 0 0 "[ . 1 . 2]" 1
23 1 3 MET HG3 1 76 ILE MD 5.890 . 5.890 4.011 2.998 5.892 0.002 18 0 "[ . 1 . 2]" 1
24 1 3 MET HG3 1 76 ILE MG 5.170 . 5.170 3.564 2.860 4.670 . 0 0 "[ . 1 . 2]" 1
25 1 3 MET HG3 1 78 LEU MD1 5.930 . 5.930 4.085 3.042 5.031 . 0 0 "[ . 1 . 2]" 1
26 1 4 THR H 1 4 THR HB 4.190 . 4.190 2.952 2.489 3.610 . 0 0 "[ . 1 . 2]" 1
27 1 4 THR H 1 75 ARG QB 6.000 . 6.000 4.184 3.193 5.653 . 0 0 "[ . 1 . 2]" 1
28 1 4 THR H 1 76 ILE HB 6.300 . 6.300 4.665 4.212 5.311 . 0 0 "[ . 1 . 2]" 1
29 1 4 THR H 1 76 ILE MG 5.620 . 5.620 5.033 4.582 5.689 0.069 10 0 "[ . 1 . 2]" 1
30 1 4 THR H 1 77 PHE HA 4.440 . 4.440 3.767 2.889 4.444 0.004 16 0 "[ . 1 . 2]" 1
31 1 4 THR H 1 77 PHE QD 5.420 . 5.420 4.858 4.123 5.511 0.091 15 0 "[ . 1 . 2]" 1
32 1 4 THR H 1 78 LEU H 5.600 . 5.600 4.639 3.869 5.476 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR HB 1 6 VAL MG2 5.850 . 5.850 4.298 3.110 5.498 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR HB 1 77 PHE HA 5.270 . 5.270 3.387 2.828 4.125 . 0 0 "[ . 1 . 2]" 1
35 1 4 THR HB 1 77 PHE QD 3.930 . 3.930 3.339 3.000 4.002 0.072 15 0 "[ . 1 . 2]" 1
36 1 4 THR MG 1 5 ARG H 4.880 . 4.880 3.684 3.247 4.235 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR MG 1 6 VAL HB 6.300 . 6.300 5.967 5.247 6.498 0.198 16 0 "[ . 1 . 2]" 1
38 1 4 THR MG 1 6 VAL MG2 3.960 . 3.960 3.588 2.964 4.098 0.138 6 0 "[ . 1 . 2]" 1
39 1 4 THR MG 1 18 VAL MG1 4.670 . 4.670 2.992 1.897 4.534 . 0 0 "[ . 1 . 2]" 1
40 1 4 THR MG 1 20 LEU H 4.810 . 4.810 4.932 3.618 5.126 0.316 17 0 "[ . 1 . 2]" 1
41 1 4 THR MG 1 20 LEU HB2 5.990 . 5.990 6.143 6.002 6.380 0.390 5 0 "[ . 1 . 2]" 1
42 1 4 THR MG 1 20 LEU MD2 5.150 . 5.150 4.951 4.314 5.286 0.136 12 0 "[ . 1 . 2]" 1
43 1 4 THR MG 1 77 PHE HA 5.920 . 5.920 4.411 4.215 4.637 . 0 0 "[ . 1 . 2]" 1
44 1 4 THR MG 1 77 PHE HB2 5.590 . 5.590 5.724 5.550 5.836 0.246 17 0 "[ . 1 . 2]" 1
45 1 4 THR MG 1 77 PHE QD 3.950 . 3.950 3.700 3.330 3.987 0.037 4 0 "[ . 1 . 2]" 1
46 1 4 THR MG 1 77 PHE QE 4.540 . 4.540 2.862 2.622 3.127 . 0 0 "[ . 1 . 2]" 1
47 1 4 THR MG 1 79 VAL MG2 6.280 . 6.280 5.867 5.165 6.470 0.190 3 0 "[ . 1 . 2]" 1
48 1 5 ARG H 1 5 ARG HG2 4.740 . 4.740 3.973 3.324 4.686 . 0 0 "[ . 1 . 2]" 1
49 1 5 ARG HA 1 6 VAL H 3.750 . 3.750 2.219 2.153 2.307 . 0 0 "[ . 1 . 2]" 1
50 1 5 ARG HA 1 6 VAL MG2 5.490 . 5.490 3.763 3.504 3.946 . 0 0 "[ . 1 . 2]" 1
51 1 5 ARG HA 1 77 PHE HB3 6.300 . 6.300 4.450 3.484 5.368 . 0 0 "[ . 1 . 2]" 1
52 1 5 ARG HA 1 78 LEU H 4.020 . 4.020 2.681 2.110 3.139 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG HA 1 78 LEU QB 4.810 . 4.810 3.026 2.477 4.097 . 0 0 "[ . 1 . 2]" 1
54 1 5 ARG HB2 1 6 VAL H 6.300 . 6.300 4.169 3.733 4.469 . 0 0 "[ . 1 . 2]" 1
55 1 5 ARG HB3 1 6 VAL H 4.400 . 4.400 3.366 2.685 4.246 . 0 0 "[ . 1 . 2]" 1
56 1 5 ARG HB3 1 78 LEU MD1 6.300 . 6.300 4.572 4.238 5.001 . 0 0 "[ . 1 . 2]" 1
57 1 5 ARG QD 1 6 VAL H 6.030 . 6.030 4.900 2.424 6.043 0.013 17 0 "[ . 1 . 2]" 1
58 1 5 ARG QD 1 78 LEU QB 5.890 . 5.890 3.237 2.196 4.097 . 0 0 "[ . 1 . 2]" 1
59 1 5 ARG QD 1 78 LEU MD1 5.850 . 5.850 3.057 2.166 4.978 . 0 0 "[ . 1 . 2]" 1
60 1 5 ARG QD 1 78 LEU MD2 5.910 . 5.910 5.163 4.341 6.055 0.145 12 0 "[ . 1 . 2]" 1
61 1 5 ARG HG2 1 6 VAL H 5.220 . 5.220 4.219 3.055 5.146 . 0 0 "[ . 1 . 2]" 1
62 1 5 ARG HG2 1 78 LEU MD1 6.300 . 6.300 2.941 2.218 4.819 . 0 0 "[ . 1 . 2]" 1
63 1 5 ARG HG2 1 78 LEU MD2 6.300 . 6.300 4.652 4.194 6.339 0.039 3 0 "[ . 1 . 2]" 1
64 1 6 VAL H 1 6 VAL MG2 4.340 . 4.340 2.980 2.824 3.159 . 0 0 "[ . 1 . 2]" 1
65 1 6 VAL H 1 78 LEU H 4.780 . 4.780 4.124 3.563 4.557 . 0 0 "[ . 1 . 2]" 1
66 1 6 VAL H 1 78 LEU QB 5.610 . 5.610 4.163 3.655 4.751 . 0 0 "[ . 1 . 2]" 1
67 1 6 VAL H 1 79 VAL HA 3.410 . 3.410 2.926 2.631 3.249 . 0 0 "[ . 1 . 2]" 1
68 1 6 VAL H 1 79 VAL MG1 5.390 . 5.390 4.456 4.060 4.829 . 0 0 "[ . 1 . 2]" 1
69 1 6 VAL H 1 79 VAL MG2 5.680 . 5.680 3.205 2.724 3.604 . 0 0 "[ . 1 . 2]" 1
70 1 6 VAL HA 1 7 ARG H 3.650 . 3.650 2.222 2.115 2.296 . 0 0 "[ . 1 . 2]" 1
71 1 6 VAL HB 1 14 LEU MD1 6.300 . 6.300 3.296 2.840 3.582 . 0 0 "[ . 1 . 2]" 1
72 1 6 VAL HB 1 16 LEU MD2 5.760 . 5.760 2.359 1.958 2.755 . 0 0 "[ . 1 . 2]" 1
73 1 6 VAL HB 1 79 VAL HA 4.680 . 4.680 3.554 2.781 4.186 . 0 0 "[ . 1 . 2]" 1
74 1 6 VAL HB 1 79 VAL MG1 5.290 . 5.290 3.475 2.895 4.043 . 0 0 "[ . 1 . 2]" 1
75 1 6 VAL HB 1 79 VAL MG2 4.350 . 4.350 2.282 1.819 2.717 . 0 0 "[ . 1 . 2]" 1
76 1 6 VAL HB 1 80 SER H 5.170 . 5.170 4.968 4.125 5.270 0.100 15 0 "[ . 1 . 2]" 1
77 1 6 VAL MG1 1 7 ARG H 4.560 . 4.560 2.611 2.283 3.043 . 0 0 "[ . 1 . 2]" 1
78 1 6 VAL MG1 1 7 ARG HA 6.050 . 6.050 3.763 3.457 4.022 . 0 0 "[ . 1 . 2]" 1
79 1 6 VAL MG1 1 7 ARG QG 6.240 . 6.240 4.945 4.384 5.276 . 0 0 "[ . 1 . 2]" 1
80 1 6 VAL MG1 1 8 SER H 5.650 . 5.650 4.307 3.849 4.685 . 0 0 "[ . 1 . 2]" 1
81 1 6 VAL MG1 1 8 SER HA 6.300 . 6.300 4.270 3.705 4.911 . 0 0 "[ . 1 . 2]" 1
82 1 6 VAL MG1 1 8 SER HB2 6.300 . 6.300 3.671 2.834 4.960 . 0 0 "[ . 1 . 2]" 1
83 1 6 VAL MG1 1 8 SER HB3 5.620 . 5.620 4.814 3.963 5.635 0.015 20 0 "[ . 1 . 2]" 1
84 1 6 VAL MG1 1 14 LEU HB3 6.300 . 6.300 5.965 5.609 6.309 0.009 12 0 "[ . 1 . 2]" 1
85 1 6 VAL MG1 1 14 LEU MD1 4.240 . 4.240 2.465 2.201 2.897 . 0 0 "[ . 1 . 2]" 1
86 1 6 VAL MG1 1 14 LEU MD2 4.960 . 4.960 4.316 3.941 4.886 . 0 0 "[ . 1 . 2]" 1
87 1 6 VAL MG1 1 15 GLU H 5.370 . 5.370 3.843 3.389 4.271 . 0 0 "[ . 1 . 2]" 1
88 1 6 VAL MG1 1 16 LEU H 6.300 . 6.300 5.018 4.484 5.426 . 0 0 "[ . 1 . 2]" 1
89 1 6 VAL MG1 1 16 LEU HA 5.430 . 5.430 3.442 2.791 4.067 . 0 0 "[ . 1 . 2]" 1
90 1 6 VAL MG1 1 16 LEU HB3 6.280 . 6.280 4.882 4.308 5.481 . 0 0 "[ . 1 . 2]" 1
91 1 6 VAL MG1 1 16 LEU MD1 5.820 . 5.820 4.556 4.254 4.933 . 0 0 "[ . 1 . 2]" 1
92 1 6 VAL MG1 1 16 LEU MD2 4.330 . 4.330 2.257 1.976 2.709 . 0 0 "[ . 1 . 2]" 1
93 1 6 VAL MG1 1 77 PHE QE 6.300 . 6.300 5.091 4.428 6.060 . 0 0 "[ . 1 . 2]" 1
94 1 6 VAL MG1 1 79 VAL HA 5.600 . 5.600 4.317 3.773 4.914 . 0 0 "[ . 1 . 2]" 1
95 1 6 VAL MG1 1 80 SER H 6.300 . 6.300 4.803 4.234 5.195 . 0 0 "[ . 1 . 2]" 1
96 1 6 VAL MG2 1 7 ARG H 5.550 . 5.550 4.041 3.879 4.229 . 0 0 "[ . 1 . 2]" 1
97 1 6 VAL MG2 1 15 GLU H 5.500 . 5.500 5.525 5.203 5.690 0.190 12 0 "[ . 1 . 2]" 1
98 1 6 VAL MG2 1 16 LEU MD1 5.940 . 5.940 3.952 3.537 4.241 . 0 0 "[ . 1 . 2]" 1
99 1 6 VAL MG2 1 16 LEU MD2 4.210 . 4.210 2.120 1.826 2.502 . 0 0 "[ . 1 . 2]" 1
100 1 6 VAL MG2 1 77 PHE HA 5.880 . 5.880 4.650 4.119 5.335 . 0 0 "[ . 1 . 2]" 1
101 1 6 VAL MG2 1 77 PHE HB2 5.730 . 5.730 5.226 4.921 5.748 0.018 10 0 "[ . 1 . 2]" 1
102 1 6 VAL MG2 1 77 PHE HB3 5.130 . 5.130 3.924 3.602 4.664 . 0 0 "[ . 1 . 2]" 1
103 1 6 VAL MG2 1 77 PHE QD 3.500 . 3.500 2.453 2.025 3.083 . 0 0 "[ . 1 . 2]" 1
104 1 6 VAL MG2 1 78 LEU H 5.640 . 5.640 5.265 4.639 5.687 0.047 15 0 "[ . 1 . 2]" 1
105 1 7 ARG H 1 7 ARG QG 4.980 . 4.980 3.912 2.490 4.186 . 0 0 "[ . 1 . 2]" 1
106 1 7 ARG HA 1 8 SER H 3.390 . 3.390 2.239 2.183 2.318 . 0 0 "[ . 1 . 2]" 1
107 1 7 ARG HA 1 80 SER H 5.250 . 5.250 2.868 2.558 3.465 . 0 0 "[ . 1 . 2]" 1
108 1 7 ARG HA 1 80 SER QB 5.200 . 5.200 4.006 2.911 4.798 . 0 0 "[ . 1 . 2]" 1
109 1 7 ARG HB2 1 8 SER H 5.470 . 5.470 4.195 3.994 4.436 . 0 0 "[ . 1 . 2]" 1
110 1 7 ARG HB3 1 8 SER H 5.260 . 5.260 3.909 2.961 4.321 . 0 0 "[ . 1 . 2]" 1
111 1 7 ARG QD 1 82 GLU QG 6.300 . 6.300 3.648 2.066 6.424 0.124 2 0 "[ . 1 . 2]" 1
112 1 7 ARG QG 1 8 SER H 4.800 . 4.800 2.884 2.305 4.383 . 0 0 "[ . 1 . 2]" 1
113 1 7 ARG QG 1 80 SER H 5.750 . 5.750 4.341 3.014 5.603 . 0 0 "[ . 1 . 2]" 1
114 1 7 ARG QG 1 80 SER QB 5.750 . 5.750 3.807 2.267 5.565 . 0 0 "[ . 1 . 2]" 1
115 1 7 ARG QG 1 82 GLU H 5.720 . 5.720 4.064 3.022 5.744 0.024 15 0 "[ . 1 . 2]" 1
116 1 7 ARG QG 1 82 GLU QG 5.750 . 5.750 3.155 2.061 4.978 . 0 0 "[ . 1 . 2]" 1
117 1 8 SER H 1 8 SER HB2 3.940 . 3.940 3.147 2.659 3.370 . 0 0 "[ . 1 . 2]" 1
118 1 8 SER H 1 79 VAL MG1 5.570 . 5.570 3.832 3.076 4.478 . 0 0 "[ . 1 . 2]" 1
119 1 8 SER H 1 80 SER H 5.110 . 5.110 3.948 3.341 4.568 . 0 0 "[ . 1 . 2]" 1
120 1 8 SER H 1 81 VAL HA 4.260 . 4.260 2.826 2.438 3.460 . 0 0 "[ . 1 . 2]" 1
121 1 8 SER H 1 81 VAL MG1 5.240 . 5.240 4.368 3.760 5.153 . 0 0 "[ . 1 . 2]" 1
122 1 8 SER H 1 81 VAL MG2 5.040 . 5.040 3.730 3.114 4.444 . 0 0 "[ . 1 . 2]" 1
123 1 8 SER H 1 82 GLU H 5.160 . 5.160 3.698 3.220 4.849 . 0 0 "[ . 1 . 2]" 1
124 1 8 SER HA 1 9 THR MG 6.300 . 6.300 4.005 3.486 4.581 . 0 0 "[ . 1 . 2]" 1
125 1 8 SER HA 1 14 LEU MD1 6.300 . 6.300 4.000 3.268 4.757 . 0 0 "[ . 1 . 2]" 1
126 1 8 SER HA 1 81 VAL MG2 6.300 . 6.300 4.689 4.307 5.278 . 0 0 "[ . 1 . 2]" 1
127 1 8 SER HB2 1 9 THR H 4.600 . 4.600 3.839 3.686 3.974 . 0 0 "[ . 1 . 2]" 1
128 1 8 SER HB2 1 14 LEU HB3 6.300 . 6.300 5.361 4.181 6.306 0.006 2 0 "[ . 1 . 2]" 1
129 1 8 SER HB2 1 14 LEU MD1 5.030 . 5.030 2.211 1.649 3.052 . 0 0 "[ . 1 . 2]" 1
130 1 8 SER HB2 1 14 LEU MD2 5.730 . 5.730 4.273 3.302 5.433 . 0 0 "[ . 1 . 2]" 1
131 1 8 SER HB2 1 14 LEU HG 5.970 . 5.970 5.015 4.290 5.952 . 0 0 "[ . 1 . 2]" 1
132 1 8 SER HB2 1 58 ALA MB 5.730 . 5.730 4.039 3.096 5.430 . 0 0 "[ . 1 . 2]" 1
133 1 8 SER HB2 1 79 VAL MG1 5.610 . 5.610 3.363 2.303 5.089 . 0 0 "[ . 1 . 2]" 1
134 1 8 SER HB2 1 81 VAL HA 5.780 . 5.780 4.299 2.990 5.044 . 0 0 "[ . 1 . 2]" 1
135 1 8 SER HB2 1 81 VAL MG1 5.410 . 5.410 4.375 2.777 5.098 . 0 0 "[ . 1 . 2]" 1
136 1 8 SER HB2 1 81 VAL MG2 4.600 . 4.600 3.272 2.112 4.289 . 0 0 "[ . 1 . 2]" 1
137 1 8 SER HB3 1 9 THR H 6.300 . 6.300 3.541 2.498 3.923 . 0 0 "[ . 1 . 2]" 1
138 1 8 SER HB3 1 14 LEU MD1 5.480 . 5.480 3.090 2.322 3.775 . 0 0 "[ . 1 . 2]" 1
139 1 8 SER HB3 1 14 LEU MD2 6.300 . 6.300 4.632 4.017 5.849 . 0 0 "[ . 1 . 2]" 1
140 1 8 SER HB3 1 58 ALA MB 5.340 . 5.340 3.640 2.765 4.616 . 0 0 "[ . 1 . 2]" 1
141 1 8 SER HB3 1 79 VAL MG1 5.940 . 5.940 3.565 2.710 5.434 . 0 0 "[ . 1 . 2]" 1
142 1 8 SER HB3 1 81 VAL MG1 5.520 . 5.520 3.140 2.346 3.768 . 0 0 "[ . 1 . 2]" 1
143 1 8 SER HB3 1 81 VAL MG2 5.690 . 5.690 2.201 1.532 3.927 . 0 0 "[ . 1 . 2]" 1
144 1 8 SER HB3 1 82 GLU H 6.300 . 6.300 4.678 4.023 5.771 . 0 0 "[ . 1 . 2]" 1
145 1 9 THR H 1 9 THR MG 4.770 . 4.770 3.021 2.573 3.512 . 0 0 "[ . 1 . 2]" 1
146 1 9 THR H 1 10 PRO HD2 5.700 . 5.700 5.031 4.915 5.261 . 0 0 "[ . 1 . 2]" 1
147 1 9 THR H 1 10 PRO HD3 6.210 . 6.210 5.029 4.717 5.230 . 0 0 "[ . 1 . 2]" 1
148 1 9 THR HA 1 81 VAL MG1 5.800 . 5.800 3.435 2.626 4.107 . 0 0 "[ . 1 . 2]" 1
149 1 9 THR HA 1 82 GLU H 4.690 . 4.690 3.410 2.986 4.092 . 0 0 "[ . 1 . 2]" 1
150 1 9 THR HA 1 84 PRO QD 6.300 . 6.300 5.778 5.431 6.194 . 0 0 "[ . 1 . 2]" 1
151 1 9 THR HB 1 10 PRO HD2 5.430 . 5.430 2.447 2.118 3.172 . 0 0 "[ . 1 . 2]" 1
152 1 9 THR HB 1 10 PRO HD3 4.370 . 4.370 3.705 3.344 4.130 . 0 0 "[ . 1 . 2]" 1
153 1 9 THR MG 1 10 PRO HB3 5.600 . 5.600 5.876 5.767 6.039 0.439 8 0 "[ . 1 . 2]" 1
154 1 9 THR MG 1 10 PRO HD2 4.640 . 4.640 2.860 2.431 3.187 . 0 0 "[ . 1 . 2]" 1
155 1 9 THR MG 1 10 PRO HD3 5.260 . 5.260 3.539 2.971 3.856 . 0 0 "[ . 1 . 2]" 1
156 1 9 THR MG 1 10 PRO HG2 6.300 . 6.300 4.821 4.407 5.155 . 0 0 "[ . 1 . 2]" 1
157 1 9 THR MG 1 81 VAL HA 6.300 . 6.300 5.494 4.885 6.069 . 0 0 "[ . 1 . 2]" 1
158 1 9 THR MG 1 81 VAL MG1 6.020 . 6.020 4.764 4.111 5.174 . 0 0 "[ . 1 . 2]" 1
159 1 9 THR MG 1 82 GLU H 5.700 . 5.700 4.606 3.852 5.207 . 0 0 "[ . 1 . 2]" 1
160 1 9 THR MG 1 82 GLU HA 6.300 . 6.300 5.756 4.966 6.560 0.260 18 0 "[ . 1 . 2]" 1
161 1 9 THR MG 1 83 GLU HA 5.940 . 5.940 4.812 4.180 5.406 . 0 0 "[ . 1 . 2]" 1
162 1 9 THR MG 1 83 GLU HB2 6.300 . 6.300 4.363 2.462 5.351 . 0 0 "[ . 1 . 2]" 1
163 1 9 THR MG 1 83 GLU HB3 6.100 . 6.100 3.231 2.145 4.978 . 0 0 "[ . 1 . 2]" 1
164 1 9 THR MG 1 84 PRO HB2 5.720 . 5.720 5.784 5.144 6.056 0.336 1 0 "[ . 1 . 2]" 1
165 1 9 THR MG 1 84 PRO QD 5.370 . 5.370 4.986 4.642 5.286 . 0 0 "[ . 1 . 2]" 1
166 1 10 PRO HA 1 11 GLY H 3.540 . 3.540 2.309 2.149 2.846 . 0 0 "[ . 1 . 2]" 1
167 1 10 PRO HA 1 11 GLY HA2 5.480 . 5.480 4.415 4.329 4.552 . 0 0 "[ . 1 . 2]" 1
168 1 10 PRO HA 1 11 GLY HA3 5.710 . 5.710 4.543 4.400 4.886 . 0 0 "[ . 1 . 2]" 1
169 1 10 PRO HA 1 12 GLY H 5.630 . 5.630 4.018 3.521 4.814 . 0 0 "[ . 1 . 2]" 1
170 1 10 PRO HA 1 58 ALA MB 5.070 . 5.070 4.402 3.458 5.188 0.118 17 0 "[ . 1 . 2]" 1
171 1 10 PRO HA 1 59 ARG HA 5.930 . 5.930 2.297 1.663 4.010 . 0 0 "[ . 1 . 2]" 1
172 1 10 PRO HA 1 59 ARG HB3 6.300 . 6.300 4.724 3.988 5.279 . 0 0 "[ . 1 . 2]" 1
173 1 10 PRO HA 1 59 ARG QG 5.680 . 5.680 3.302 2.273 4.358 . 0 0 "[ . 1 . 2]" 1
174 1 10 PRO HA 1 81 VAL MG1 4.330 . 4.330 2.376 1.844 2.881 . 0 0 "[ . 1 . 2]" 1
175 1 10 PRO HB2 1 59 ARG HA 6.100 . 6.100 3.852 2.814 6.025 . 0 0 "[ . 1 . 2]" 1
176 1 10 PRO HB2 1 81 VAL MG1 5.290 . 5.290 4.039 3.682 4.800 . 0 0 "[ . 1 . 2]" 1
177 1 10 PRO HB3 1 59 ARG QD 5.400 . 5.400 4.955 3.884 5.559 0.159 10 0 "[ . 1 . 2]" 1
178 1 10 PRO HB3 1 81 VAL MG1 6.260 . 6.260 2.869 2.331 4.156 . 0 0 "[ . 1 . 2]" 1
179 1 10 PRO HB3 1 84 PRO HA 4.730 . 4.730 4.819 4.600 5.080 0.350 18 0 "[ . 1 . 2]" 1
180 1 10 PRO HD2 1 81 VAL MG1 5.650 . 5.650 4.276 3.632 4.899 . 0 0 "[ . 1 . 2]" 1
181 1 10 PRO HD2 1 83 GLU HA 6.300 . 6.300 5.457 4.929 6.056 . 0 0 "[ . 1 . 2]" 1
182 1 10 PRO HD3 1 81 VAL MG1 4.890 . 4.890 3.204 2.257 4.225 . 0 0 "[ . 1 . 2]" 1
183 1 10 PRO HD3 1 82 GLU H 4.690 . 4.690 3.511 2.725 4.301 . 0 0 "[ . 1 . 2]" 1
184 1 10 PRO HD3 1 82 GLU HA 6.300 . 6.300 3.573 2.852 5.013 . 0 0 "[ . 1 . 2]" 1
185 1 10 PRO HD3 1 83 GLU HA 6.240 . 6.240 5.081 4.224 6.028 . 0 0 "[ . 1 . 2]" 1
186 1 10 PRO HG2 1 81 VAL MG1 5.610 . 5.610 4.690 3.894 5.079 . 0 0 "[ . 1 . 2]" 1
187 1 10 PRO HG3 1 81 VAL MG1 4.800 . 4.800 4.123 2.412 4.942 0.142 9 0 "[ . 1 . 2]" 1
188 1 10 PRO HG3 1 84 PRO HB2 5.240 . 5.240 4.764 3.118 5.418 0.178 5 0 "[ . 1 . 2]" 1
189 1 11 GLY H 1 12 GLY H 4.260 . 4.260 2.405 1.844 2.882 . 0 0 "[ . 1 . 2]" 1
190 1 11 GLY H 1 58 ALA H 5.240 . 5.240 4.729 3.514 5.396 0.156 2 0 "[ . 1 . 2]" 1
191 1 11 GLY H 1 58 ALA MB 4.540 . 4.540 3.924 3.293 4.287 . 0 0 "[ . 1 . 2]" 1
192 1 11 GLY H 1 59 ARG HA 4.900 . 4.900 3.139 1.995 4.819 . 0 0 "[ . 1 . 2]" 1
193 1 11 GLY H 1 59 ARG QG 5.790 . 5.790 3.683 2.307 5.610 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLY H 1 81 VAL MG1 5.410 . 5.410 3.705 2.748 4.677 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLY HA3 1 12 GLY HA2 5.840 . 5.840 4.604 4.366 4.954 . 0 0 "[ . 1 . 2]" 1
196 1 11 GLY HA3 1 12 GLY HA3 5.170 . 5.170 4.940 4.751 5.201 0.031 15 0 "[ . 1 . 2]" 1
197 1 12 GLY H 1 58 ALA H 5.060 . 5.060 4.285 3.420 5.028 . 0 0 "[ . 1 . 2]" 1
198 1 12 GLY H 1 58 ALA HA 6.300 . 6.300 5.758 4.917 6.354 0.054 10 0 "[ . 1 . 2]" 1
199 1 12 GLY H 1 58 ALA MB 4.470 . 4.470 3.713 2.690 4.532 0.062 9 0 "[ . 1 . 2]" 1
200 1 12 GLY H 1 59 ARG HA 5.570 . 5.570 5.102 4.086 5.696 0.126 17 0 "[ . 1 . 2]" 1
201 1 12 GLY HA3 1 58 ALA MB 6.270 . 6.270 4.441 3.521 5.204 . 0 0 "[ . 1 . 2]" 1
202 1 13 ASP H 1 13 ASP QB 3.750 . 3.750 2.889 2.286 3.443 . 0 0 "[ . 1 . 2]" 1
203 1 13 ASP HA 1 14 LEU H 3.420 . 3.420 2.225 2.112 2.413 . 0 0 "[ . 1 . 2]" 1
204 1 13 ASP HA 1 14 LEU HB3 6.060 . 6.060 4.571 4.402 4.788 . 0 0 "[ . 1 . 2]" 1
205 1 13 ASP HA 1 56 GLN HA 4.650 . 4.650 2.659 1.780 3.745 . 0 0 "[ . 1 . 2]" 1
206 1 13 ASP HA 1 57 GLY H 4.030 . 4.030 2.630 1.999 3.456 . 0 0 "[ . 1 . 2]" 1
207 1 13 ASP HA 1 57 GLY HA3 6.260 . 6.260 5.300 4.739 6.036 . 0 0 "[ . 1 . 2]" 1
208 1 13 ASP HA 1 58 ALA H 4.880 . 4.880 2.968 2.140 4.567 . 0 0 "[ . 1 . 2]" 1
209 1 13 ASP QB 1 14 LEU H 4.380 . 4.380 3.066 2.481 3.793 . 0 0 "[ . 1 . 2]" 1
210 1 13 ASP QB 1 54 ARG HG2 6.300 . 6.300 5.362 4.691 6.308 0.008 3 0 "[ . 1 . 2]" 1
211 1 13 ASP QB 1 56 GLN HA 5.750 . 5.750 2.591 1.974 3.838 . 0 0 "[ . 1 . 2]" 1
212 1 13 ASP QB 1 57 GLY H 5.750 . 5.750 3.418 2.556 5.059 . 0 0 "[ . 1 . 2]" 1
213 1 13 ASP QB 1 58 ALA MB 6.300 . 6.300 4.460 3.855 5.605 . 0 0 "[ . 1 . 2]" 1
214 1 14 LEU H 1 14 LEU HB2 4.020 . 4.020 2.765 2.537 3.209 . 0 0 "[ . 1 . 2]" 1
215 1 14 LEU H 1 14 LEU HB3 4.300 . 4.300 2.464 2.314 2.784 . 0 0 "[ . 1 . 2]" 1
216 1 14 LEU H 1 55 VAL H 4.190 . 4.190 3.281 2.718 3.797 . 0 0 "[ . 1 . 2]" 1
217 1 14 LEU H 1 55 VAL HB 4.660 . 4.660 3.455 2.861 4.185 . 0 0 "[ . 1 . 2]" 1
218 1 14 LEU H 1 55 VAL MG1 5.480 . 5.480 4.178 3.724 4.674 . 0 0 "[ . 1 . 2]" 1
219 1 14 LEU H 1 56 GLN HA 5.300 . 5.300 3.743 3.034 4.303 . 0 0 "[ . 1 . 2]" 1
220 1 14 LEU H 1 57 GLY H 5.780 . 5.780 4.230 3.198 4.977 . 0 0 "[ . 1 . 2]" 1
221 1 14 LEU H 1 58 ALA MB 4.640 . 4.640 2.666 1.823 3.802 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU HA 1 14 LEU MD1 4.620 . 4.620 2.177 2.065 2.294 . 0 0 "[ . 1 . 2]" 1
223 1 14 LEU HA 1 15 GLU H 3.320 . 3.320 2.257 2.193 2.357 . 0 0 "[ . 1 . 2]" 1
224 1 14 LEU HB2 1 15 GLU H 5.390 . 5.390 4.301 4.093 4.546 . 0 0 "[ . 1 . 2]" 1
225 1 14 LEU HB2 1 16 LEU MD2 6.300 . 6.300 4.903 4.672 5.068 . 0 0 "[ . 1 . 2]" 1
226 1 14 LEU HB2 1 16 LEU HG 6.200 . 6.200 5.599 5.251 6.233 0.033 9 0 "[ . 1 . 2]" 1
227 1 14 LEU HB2 1 54 ARG HA 6.300 . 6.300 5.636 5.003 5.948 . 0 0 "[ . 1 . 2]" 1
228 1 14 LEU HB2 1 55 VAL H 4.470 . 4.470 4.159 3.540 4.494 0.024 18 0 "[ . 1 . 2]" 1
229 1 14 LEU HB2 1 55 VAL HA 6.300 . 6.300 6.033 5.659 6.310 0.010 2 0 "[ . 1 . 2]" 1
230 1 14 LEU HB2 1 55 VAL HB 4.410 . 4.410 3.357 2.988 3.715 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU HB2 1 55 VAL MG2 5.390 . 5.390 4.425 3.910 4.872 . 0 0 "[ . 1 . 2]" 1
232 1 14 LEU HB2 1 79 VAL MG2 6.300 . 6.300 5.425 4.836 6.306 0.006 9 0 "[ . 1 . 2]" 1
233 1 14 LEU HB3 1 15 GLU H 6.080 . 6.080 4.233 3.944 4.520 . 0 0 "[ . 1 . 2]" 1
234 1 14 LEU HB3 1 55 VAL H 5.630 . 5.630 2.461 1.875 2.805 . 0 0 "[ . 1 . 2]" 1
235 1 14 LEU HB3 1 55 VAL HB 4.680 . 4.680 2.211 1.883 2.506 . 0 0 "[ . 1 . 2]" 1
236 1 14 LEU HB3 1 79 VAL MG1 5.420 . 5.420 4.704 4.472 4.873 . 0 0 "[ . 1 . 2]" 1
237 1 14 LEU HB3 1 79 VAL MG2 6.300 . 6.300 5.623 5.054 6.317 0.017 9 0 "[ . 1 . 2]" 1
238 1 14 LEU MD1 1 15 GLU H 4.600 . 4.600 2.507 1.986 3.221 . 0 0 "[ . 1 . 2]" 1
239 1 14 LEU MD1 1 15 GLU HB2 6.300 . 6.300 5.322 4.992 5.702 . 0 0 "[ . 1 . 2]" 1
240 1 14 LEU MD1 1 15 GLU HG2 6.300 . 6.300 6.075 5.618 6.359 0.059 7 0 "[ . 1 . 2]" 1
241 1 14 LEU MD1 1 16 LEU H 6.300 . 6.300 4.565 4.241 4.869 . 0 0 "[ . 1 . 2]" 1
242 1 14 LEU MD1 1 16 LEU MD1 5.040 . 5.040 3.711 3.312 4.116 . 0 0 "[ . 1 . 2]" 1
243 1 14 LEU MD1 1 16 LEU MD2 4.250 . 4.250 2.056 1.827 2.277 . 0 0 "[ . 1 . 2]" 1
244 1 14 LEU MD1 1 55 VAL H 5.410 . 5.410 4.879 4.605 5.166 . 0 0 "[ . 1 . 2]" 1
245 1 14 LEU MD1 1 55 VAL HB 5.490 . 5.490 4.820 4.628 5.166 . 0 0 "[ . 1 . 2]" 1
246 1 14 LEU MD1 1 66 TYR QE 5.890 . 5.890 4.660 4.454 5.423 . 0 0 "[ . 1 . 2]" 1
247 1 14 LEU MD1 1 79 VAL HA 6.300 . 6.300 4.381 3.943 4.776 . 0 0 "[ . 1 . 2]" 1
248 1 14 LEU MD1 1 79 VAL MG2 4.700 . 4.700 2.806 2.197 3.331 . 0 0 "[ . 1 . 2]" 1
249 1 14 LEU MD2 1 15 GLU H 6.300 . 6.300 4.606 4.130 5.174 . 0 0 "[ . 1 . 2]" 1
250 1 14 LEU MD2 1 16 LEU H 6.300 . 6.300 4.791 4.172 5.357 . 0 0 "[ . 1 . 2]" 1
251 1 14 LEU MD2 1 16 LEU MD1 4.960 . 4.960 2.645 2.127 3.451 . 0 0 "[ . 1 . 2]" 1
252 1 14 LEU MD2 1 55 VAL H 6.300 . 6.300 3.635 3.057 4.209 . 0 0 "[ . 1 . 2]" 1
253 1 14 LEU MD2 1 55 VAL HA 6.300 . 6.300 5.152 4.738 5.802 . 0 0 "[ . 1 . 2]" 1
254 1 14 LEU MD2 1 55 VAL HB 5.330 . 5.330 2.874 2.367 3.383 . 0 0 "[ . 1 . 2]" 1
255 1 14 LEU MD2 1 55 VAL MG2 4.440 . 4.440 2.608 2.113 3.137 . 0 0 "[ . 1 . 2]" 1
256 1 14 LEU MD2 1 62 ASP HB3 6.300 . 6.300 3.815 2.017 5.336 . 0 0 "[ . 1 . 2]" 1
257 1 14 LEU MD2 1 63 ALA HA 6.300 . 6.300 4.497 3.502 5.258 . 0 0 "[ . 1 . 2]" 1
258 1 14 LEU MD2 1 66 TYR H 6.300 . 6.300 6.001 5.410 6.389 0.089 12 0 "[ . 1 . 2]" 1
259 1 14 LEU MD2 1 66 TYR QE 4.680 . 4.680 2.887 2.680 3.578 . 0 0 "[ . 1 . 2]" 1
260 1 14 LEU MD2 1 79 VAL MG1 4.060 . 4.060 1.976 1.698 2.236 . 0 0 "[ . 1 . 2]" 1
261 1 14 LEU MD2 1 79 VAL MG2 4.470 . 4.470 2.428 1.842 3.268 . 0 0 "[ . 1 . 2]" 1
262 1 14 LEU HG 1 15 GLU H 4.940 . 4.940 3.185 2.576 3.920 . 0 0 "[ . 1 . 2]" 1
263 1 14 LEU HG 1 15 GLU HB3 6.300 . 6.300 5.566 5.108 6.077 . 0 0 "[ . 1 . 2]" 1
264 1 14 LEU HG 1 16 LEU MD2 6.010 . 6.010 2.760 2.290 3.074 . 0 0 "[ . 1 . 2]" 1
265 1 14 LEU HG 1 16 LEU HG 5.540 . 5.540 2.639 2.344 3.214 . 0 0 "[ . 1 . 2]" 1
266 1 14 LEU HG 1 55 VAL H 6.120 . 6.120 3.744 3.312 4.217 . 0 0 "[ . 1 . 2]" 1
267 1 14 LEU HG 1 55 VAL HB 5.700 . 5.700 4.314 3.828 4.823 . 0 0 "[ . 1 . 2]" 1
268 1 14 LEU HG 1 55 VAL MG2 5.230 . 5.230 4.088 3.633 4.416 . 0 0 "[ . 1 . 2]" 1
269 1 15 GLU H 1 15 GLU HB2 4.170 . 4.170 3.194 2.845 3.389 . 0 0 "[ . 1 . 2]" 1
270 1 15 GLU H 1 16 LEU H 5.660 . 5.660 4.067 3.798 4.265 . 0 0 "[ . 1 . 2]" 1
271 1 15 GLU H 1 16 LEU MD2 5.690 . 5.690 3.823 3.562 4.352 . 0 0 "[ . 1 . 2]" 1
272 1 15 GLU HA 1 16 LEU H 3.440 . 3.440 2.170 2.141 2.202 . 0 0 "[ . 1 . 2]" 1
273 1 15 GLU HA 1 52 VAL MG1 5.830 . 5.830 3.591 3.303 3.862 . 0 0 "[ . 1 . 2]" 1
274 1 15 GLU HA 1 54 ARG HA 4.580 . 4.580 2.463 2.331 2.672 . 0 0 "[ . 1 . 2]" 1
275 1 15 GLU HA 1 54 ARG HG3 6.220 . 6.220 3.721 2.690 4.567 . 0 0 "[ . 1 . 2]" 1
276 1 15 GLU HA 1 55 VAL H 5.280 . 5.280 4.031 3.767 4.343 . 0 0 "[ . 1 . 2]" 1
277 1 15 GLU HB2 1 16 LEU H 5.230 . 5.230 4.450 4.223 4.527 . 0 0 "[ . 1 . 2]" 1
278 1 15 GLU HB2 1 54 ARG HB3 6.300 . 6.300 4.186 3.688 4.419 . 0 0 "[ . 1 . 2]" 1
279 1 15 GLU HB2 1 54 ARG HG2 5.610 . 5.610 2.923 2.273 3.804 . 0 0 "[ . 1 . 2]" 1
280 1 15 GLU HB2 1 54 ARG HG3 5.910 . 5.910 4.440 2.819 5.518 . 0 0 "[ . 1 . 2]" 1
281 1 15 GLU HB3 1 16 LEU H 5.150 . 5.150 4.398 4.222 4.491 . 0 0 "[ . 1 . 2]" 1
282 1 15 GLU HB3 1 16 LEU HA 5.740 . 5.740 5.067 4.956 5.157 . 0 0 "[ . 1 . 2]" 1
283 1 15 GLU HB3 1 52 VAL MG1 6.000 . 6.000 4.576 4.350 4.944 . 0 0 "[ . 1 . 2]" 1
284 1 15 GLU HB3 1 52 VAL MG2 6.300 . 6.300 6.261 5.620 6.456 0.156 9 0 "[ . 1 . 2]" 1
285 1 15 GLU HB3 1 54 ARG HA 6.250 . 6.250 5.224 4.989 5.531 . 0 0 "[ . 1 . 2]" 1
286 1 15 GLU HG2 1 16 LEU H 5.460 . 5.460 3.592 3.130 3.902 . 0 0 "[ . 1 . 2]" 1
287 1 15 GLU HG2 1 17 VAL H 5.500 . 5.500 3.794 3.553 4.091 . 0 0 "[ . 1 . 2]" 1
288 1 15 GLU HG2 1 17 VAL MG2 5.180 . 5.180 2.179 1.856 2.487 . 0 0 "[ . 1 . 2]" 1
289 1 15 GLU HG2 1 52 VAL MG1 5.260 . 5.260 2.719 2.407 3.160 . 0 0 "[ . 1 . 2]" 1
290 1 15 GLU HG2 1 54 ARG HB3 6.300 . 6.300 6.096 5.495 6.376 0.076 17 0 "[ . 1 . 2]" 1
291 1 15 GLU HG2 1 54 ARG HG2 6.300 . 6.300 3.896 3.547 5.045 . 0 0 "[ . 1 . 2]" 1
292 1 15 GLU HG2 1 54 ARG HG3 6.280 . 6.280 4.722 3.752 5.566 . 0 0 "[ . 1 . 2]" 1
293 1 15 GLU HG3 1 16 LEU H 6.300 . 6.300 3.669 3.032 3.982 . 0 0 "[ . 1 . 2]" 1
294 1 15 GLU HG3 1 17 VAL MG2 5.210 . 5.210 3.410 3.020 3.806 . 0 0 "[ . 1 . 2]" 1
295 1 15 GLU HG3 1 52 VAL MG1 5.220 . 5.220 2.245 1.936 2.650 . 0 0 "[ . 1 . 2]" 1
296 1 15 GLU HG3 1 52 VAL MG2 6.300 . 6.300 4.269 3.680 4.629 . 0 0 "[ . 1 . 2]" 1
297 1 15 GLU HG3 1 54 ARG HG2 5.920 . 5.920 2.287 1.960 3.365 . 0 0 "[ . 1 . 2]" 1
298 1 16 LEU H 1 16 LEU MD1 5.310 . 5.310 3.903 3.770 4.094 . 0 0 "[ . 1 . 2]" 1
299 1 16 LEU H 1 16 LEU MD2 4.820 . 4.820 3.307 2.928 3.527 . 0 0 "[ . 1 . 2]" 1
300 1 16 LEU H 1 16 LEU HG 4.230 . 4.230 2.555 2.364 2.825 . 0 0 "[ . 1 . 2]" 1
301 1 16 LEU H 1 17 VAL H 5.750 . 5.750 4.176 4.098 4.260 . 0 0 "[ . 1 . 2]" 1
302 1 16 LEU H 1 17 VAL HA 5.200 . 5.200 5.088 4.887 5.238 0.038 15 0 "[ . 1 . 2]" 1
303 1 16 LEU H 1 17 VAL MG2 6.300 . 6.300 4.369 4.103 4.581 . 0 0 "[ . 1 . 2]" 1
304 1 16 LEU H 1 52 VAL HA 6.050 . 6.050 4.297 3.920 4.718 . 0 0 "[ . 1 . 2]" 1
305 1 16 LEU H 1 52 VAL MG1 4.850 . 4.850 3.490 3.117 4.001 . 0 0 "[ . 1 . 2]" 1
306 1 16 LEU H 1 53 LEU H 4.540 . 4.540 3.166 2.892 3.658 . 0 0 "[ . 1 . 2]" 1
307 1 16 LEU H 1 53 LEU HB2 6.300 . 6.300 5.148 4.449 5.500 . 0 0 "[ . 1 . 2]" 1
308 1 16 LEU H 1 53 LEU MD2 5.550 . 5.550 5.072 4.749 5.361 . 0 0 "[ . 1 . 2]" 1
309 1 16 LEU H 1 54 ARG HA 5.040 . 5.040 3.634 3.373 3.891 . 0 0 "[ . 1 . 2]" 1
310 1 16 LEU H 1 54 ARG HG3 5.800 . 5.800 4.602 3.957 5.279 . 0 0 "[ . 1 . 2]" 1
311 1 16 LEU HA 1 16 LEU MD2 4.220 . 4.220 2.167 2.091 2.341 . 0 0 "[ . 1 . 2]" 1
312 1 16 LEU HA 1 17 VAL H 3.380 . 3.380 2.222 2.151 2.261 . 0 0 "[ . 1 . 2]" 1
313 1 16 LEU HA 1 17 VAL HB 5.970 . 5.970 4.801 4.623 4.906 . 0 0 "[ . 1 . 2]" 1
314 1 16 LEU HA 1 17 VAL MG1 5.940 . 5.940 5.627 5.557 5.668 . 0 0 "[ . 1 . 2]" 1
315 1 16 LEU HB2 1 29 TRP HH2 4.280 . 4.280 2.824 2.638 3.129 . 0 0 "[ . 1 . 2]" 1
316 1 16 LEU HB2 1 29 TRP HZ2 5.490 . 5.490 3.791 3.498 4.152 . 0 0 "[ . 1 . 2]" 1
317 1 16 LEU HB2 1 29 TRP HZ3 5.330 . 5.330 3.951 3.452 4.397 . 0 0 "[ . 1 . 2]" 1
318 1 16 LEU HB2 1 53 LEU H 4.820 . 4.820 2.611 2.311 2.898 . 0 0 "[ . 1 . 2]" 1
319 1 16 LEU HB2 1 53 LEU HB2 4.900 . 4.900 3.930 3.256 4.230 . 0 0 "[ . 1 . 2]" 1
320 1 16 LEU HB2 1 53 LEU HB3 5.690 . 5.690 2.381 1.936 2.731 . 0 0 "[ . 1 . 2]" 1
321 1 16 LEU HB2 1 53 LEU HG 6.300 . 6.300 4.755 4.013 5.213 . 0 0 "[ . 1 . 2]" 1
322 1 16 LEU HB2 1 77 PHE QD 6.210 . 6.210 4.630 4.211 5.067 . 0 0 "[ . 1 . 2]" 1
323 1 16 LEU HB3 1 17 VAL H 4.980 . 4.980 3.888 3.775 3.960 . 0 0 "[ . 1 . 2]" 1
324 1 16 LEU HB3 1 18 VAL MG2 6.300 . 6.300 3.492 2.818 5.212 . 0 0 "[ . 1 . 2]" 1
325 1 16 LEU HB3 1 29 TRP HH2 4.250 . 4.250 2.589 2.288 3.004 . 0 0 "[ . 1 . 2]" 1
326 1 16 LEU HB3 1 29 TRP HZ3 5.570 . 5.570 3.869 3.273 4.355 . 0 0 "[ . 1 . 2]" 1
327 1 16 LEU HB3 1 53 LEU HB2 5.940 . 5.940 5.422 4.846 5.749 . 0 0 "[ . 1 . 2]" 1
328 1 16 LEU HB3 1 77 PHE QD 5.380 . 5.380 3.143 2.613 3.900 . 0 0 "[ . 1 . 2]" 1
329 1 16 LEU HB3 1 77 PHE QE 6.300 . 6.300 2.825 2.359 3.306 . 0 0 "[ . 1 . 2]" 1
330 1 16 LEU MD1 1 18 VAL MG2 6.270 . 6.270 4.372 3.732 5.812 . 0 0 "[ . 1 . 2]" 1
331 1 16 LEU MD1 1 29 TRP HE3 6.300 . 6.300 3.684 3.436 3.924 . 0 0 "[ . 1 . 2]" 1
332 1 16 LEU MD1 1 29 TRP HH2 4.620 . 4.620 2.956 2.663 3.456 . 0 0 "[ . 1 . 2]" 1
333 1 16 LEU MD1 1 29 TRP HZ2 4.900 . 4.900 4.576 4.274 5.030 0.130 6 0 "[ . 1 . 2]" 1
334 1 16 LEU MD1 1 29 TRP HZ3 4.360 . 4.360 2.314 2.192 2.517 . 0 0 "[ . 1 . 2]" 1
335 1 16 LEU MD1 1 36 LEU MD1 5.660 . 5.660 4.732 4.208 5.666 0.006 2 0 "[ . 1 . 2]" 1
336 1 16 LEU MD1 1 53 LEU HB2 5.870 . 5.870 3.844 3.481 4.076 . 0 0 "[ . 1 . 2]" 1
337 1 16 LEU MD1 1 53 LEU HB3 6.150 . 6.150 2.562 2.150 2.907 . 0 0 "[ . 1 . 2]" 1
338 1 16 LEU MD1 1 66 TYR HB2 5.240 . 5.240 2.534 2.338 2.773 . 0 0 "[ . 1 . 2]" 1
339 1 16 LEU MD1 1 66 TYR HB3 5.450 . 5.450 2.829 2.579 3.193 . 0 0 "[ . 1 . 2]" 1
340 1 16 LEU MD1 1 66 TYR QD 4.150 . 4.150 2.903 2.704 3.110 . 0 0 "[ . 1 . 2]" 1
341 1 16 LEU MD1 1 77 PHE HB2 5.220 . 5.220 2.928 2.531 3.574 . 0 0 "[ . 1 . 2]" 1
342 1 16 LEU MD1 1 77 PHE HB3 5.710 . 5.710 2.888 2.610 3.559 . 0 0 "[ . 1 . 2]" 1
343 1 16 LEU MD1 1 77 PHE QD 4.170 . 4.170 2.806 2.431 3.067 . 0 0 "[ . 1 . 2]" 1
344 1 16 LEU MD1 1 79 VAL MG2 4.610 . 4.610 2.329 2.017 2.778 . 0 0 "[ . 1 . 2]" 1
345 1 16 LEU MD2 1 17 VAL H 5.070 . 5.070 4.034 3.863 4.241 . 0 0 "[ . 1 . 2]" 1
346 1 16 LEU MD2 1 18 VAL MG2 6.300 . 6.300 4.980 4.375 6.467 0.167 6 0 "[ . 1 . 2]" 1
347 1 16 LEU MD2 1 29 TRP HZ3 5.740 . 5.740 4.634 4.392 4.930 . 0 0 "[ . 1 . 2]" 1
348 1 16 LEU MD2 1 77 PHE HB2 5.860 . 5.860 4.257 3.696 4.845 . 0 0 "[ . 1 . 2]" 1
349 1 16 LEU MD2 1 77 PHE HB3 5.390 . 5.390 3.275 2.679 3.960 . 0 0 "[ . 1 . 2]" 1
350 1 16 LEU MD2 1 77 PHE QD 4.000 . 4.000 2.282 1.874 3.038 . 0 0 "[ . 1 . 2]" 1
351 1 16 LEU MD2 1 77 PHE QE 5.490 . 5.490 3.411 2.654 4.492 . 0 0 "[ . 1 . 2]" 1
352 1 16 LEU MD2 1 79 VAL MG2 3.910 . 3.910 2.066 1.887 2.205 . 0 0 "[ . 1 . 2]" 1
353 1 16 LEU HG 1 53 LEU HB2 6.220 . 6.220 5.120 4.359 5.433 . 0 0 "[ . 1 . 2]" 1
354 1 17 VAL H 1 17 VAL HB 3.910 . 3.910 2.592 2.448 2.674 . 0 0 "[ . 1 . 2]" 1
355 1 17 VAL H 1 17 VAL MG2 4.120 . 4.120 2.421 2.254 2.561 . 0 0 "[ . 1 . 2]" 1
356 1 17 VAL H 1 77 PHE QE 4.900 . 4.900 4.185 3.513 4.786 . 0 0 "[ . 1 . 2]" 1
357 1 17 VAL HA 1 18 VAL H 3.460 . 3.460 2.173 2.129 2.222 . 0 0 "[ . 1 . 2]" 1
358 1 17 VAL HA 1 18 VAL MG2 6.300 . 6.300 3.397 3.194 3.831 . 0 0 "[ . 1 . 2]" 1
359 1 17 VAL HA 1 52 VAL HA 4.880 . 4.880 2.934 2.527 3.517 . 0 0 "[ . 1 . 2]" 1
360 1 17 VAL HA 1 52 VAL MG1 5.370 . 5.370 3.470 2.697 3.975 . 0 0 "[ . 1 . 2]" 1
361 1 17 VAL HA 1 52 VAL MG2 4.810 . 4.810 2.469 1.998 3.126 . 0 0 "[ . 1 . 2]" 1
362 1 17 VAL HA 1 53 LEU H 5.810 . 5.810 4.452 3.901 4.918 . 0 0 "[ . 1 . 2]" 1
363 1 17 VAL HB 1 77 PHE QE 6.300 . 6.300 5.818 5.041 6.415 0.115 18 0 "[ . 1 . 2]" 1
364 1 17 VAL MG1 1 18 VAL H 4.250 . 4.250 2.979 2.655 3.277 . 0 0 "[ . 1 . 2]" 1
365 1 17 VAL MG1 1 18 VAL HA 6.300 . 6.300 4.145 3.860 4.403 . 0 0 "[ . 1 . 2]" 1
366 1 17 VAL MG1 1 18 VAL MG2 6.140 . 6.140 4.369 3.966 4.610 . 0 0 "[ . 1 . 2]" 1
367 1 17 VAL MG1 1 19 HIS H 6.300 . 6.300 4.740 4.341 5.049 . 0 0 "[ . 1 . 2]" 1
368 1 17 VAL MG1 1 19 HIS HD2 6.080 . 6.080 4.628 3.083 5.512 . 0 0 "[ . 1 . 2]" 1
369 1 17 VAL MG1 1 19 HIS HE1 4.350 . 4.350 2.755 2.124 3.813 . 0 0 "[ . 1 . 2]" 1
370 1 17 VAL MG1 1 50 ARG QD 5.660 . 5.660 2.985 1.916 5.586 . 0 0 "[ . 1 . 2]" 1
371 1 17 VAL MG1 1 50 ARG QG 5.730 . 5.730 2.529 1.715 4.509 . 0 0 "[ . 1 . 2]" 1
372 1 17 VAL MG2 1 18 VAL H 5.240 . 5.240 4.214 4.023 4.347 . 0 0 "[ . 1 . 2]" 1
373 1 17 VAL MG2 1 50 ARG QG 6.040 . 6.040 4.288 3.366 6.047 0.007 9 0 "[ . 1 . 2]" 1
374 1 17 VAL MG2 1 52 VAL HA 5.590 . 5.590 3.884 3.169 4.808 . 0 0 "[ . 1 . 2]" 1
375 1 17 VAL MG2 1 77 PHE QE 6.300 . 6.300 5.883 5.294 6.302 0.002 9 0 "[ . 1 . 2]" 1
376 1 18 VAL H 1 18 VAL HB 4.010 . 4.010 2.886 2.496 3.744 . 0 0 "[ . 1 . 2]" 1
377 1 18 VAL H 1 18 VAL MG2 4.650 . 4.650 2.205 2.013 2.520 . 0 0 "[ . 1 . 2]" 1
378 1 18 VAL H 1 29 TRP HZ2 5.200 . 5.200 4.308 3.386 5.092 . 0 0 "[ . 1 . 2]" 1
379 1 18 VAL H 1 51 GLN H 4.570 . 4.570 3.087 2.540 3.564 . 0 0 "[ . 1 . 2]" 1
380 1 18 VAL H 1 52 VAL HA 5.350 . 5.350 3.786 3.365 4.042 . 0 0 "[ . 1 . 2]" 1
381 1 18 VAL H 1 52 VAL MG1 6.300 . 6.300 5.010 3.955 5.318 . 0 0 "[ . 1 . 2]" 1
382 1 18 VAL H 1 52 VAL MG2 5.630 . 5.630 3.532 2.837 3.948 . 0 0 "[ . 1 . 2]" 1
383 1 18 VAL H 1 53 LEU H 5.840 . 5.840 5.230 4.859 5.554 . 0 0 "[ . 1 . 2]" 1
384 1 18 VAL HA 1 20 LEU HG 5.930 . 5.930 4.786 4.253 5.085 . 0 0 "[ . 1 . 2]" 1
385 1 18 VAL HB 1 19 HIS H 5.900 . 5.900 3.840 2.868 4.300 . 0 0 "[ . 1 . 2]" 1
386 1 18 VAL HB 1 20 LEU MD2 5.460 . 5.460 4.416 2.908 5.568 0.108 11 0 "[ . 1 . 2]" 1
387 1 18 VAL HB 1 51 GLN H 6.300 . 6.300 2.555 1.558 4.410 . 0 0 "[ . 1 . 2]" 1
388 1 18 VAL HB 1 51 GLN HB2 5.850 . 5.850 2.779 2.024 4.741 . 0 0 "[ . 1 . 2]" 1
389 1 18 VAL HB 1 77 PHE QE 6.300 . 6.300 4.770 4.425 5.155 . 0 0 "[ . 1 . 2]" 1
390 1 18 VAL HB 1 77 PHE HZ 6.300 . 6.300 4.184 3.988 4.677 . 0 0 "[ . 1 . 2]" 1
391 1 18 VAL MG1 1 19 HIS H 4.690 . 4.690 2.719 2.217 3.684 . 0 0 "[ . 1 . 2]" 1
392 1 18 VAL MG1 1 19 HIS HA 6.300 . 6.300 3.941 3.345 5.379 . 0 0 "[ . 1 . 2]" 1
393 1 18 VAL MG1 1 19 HIS HB2 6.300 . 6.300 4.835 4.272 5.882 . 0 0 "[ . 1 . 2]" 1
394 1 18 VAL MG1 1 20 LEU H 5.090 . 5.090 2.090 1.600 3.658 . 0 0 "[ . 1 . 2]" 1
395 1 18 VAL MG1 1 20 LEU HA 6.300 . 6.300 3.898 3.172 5.100 . 0 0 "[ . 1 . 2]" 1
396 1 18 VAL MG1 1 29 TRP HH2 4.680 . 4.680 4.042 2.460 4.785 0.105 12 0 "[ . 1 . 2]" 1
397 1 18 VAL MG1 1 29 TRP HZ2 4.900 . 4.900 4.175 3.336 4.715 . 0 0 "[ . 1 . 2]" 1
398 1 18 VAL MG1 1 51 GLN H 6.300 . 6.300 3.940 2.668 4.886 . 0 0 "[ . 1 . 2]" 1
399 1 18 VAL MG1 1 51 GLN HB2 6.180 . 6.180 3.486 2.555 4.191 . 0 0 "[ . 1 . 2]" 1
400 1 18 VAL MG1 1 51 GLN HB3 5.990 . 5.990 4.864 3.867 5.541 . 0 0 "[ . 1 . 2]" 1
401 1 18 VAL MG1 1 51 GLN HG3 5.760 . 5.760 4.366 3.251 5.387 . 0 0 "[ . 1 . 2]" 1
402 1 18 VAL MG1 1 68 CYS HA 5.540 . 5.540 5.216 4.824 5.591 0.051 1 0 "[ . 1 . 2]" 1
403 1 18 VAL MG1 1 75 ARG QB 5.580 . 5.580 3.283 2.724 4.010 . 0 0 "[ . 1 . 2]" 1
404 1 18 VAL MG1 1 75 ARG HD3 6.300 . 6.300 5.224 4.172 6.454 0.154 7 0 "[ . 1 . 2]" 1
405 1 18 VAL MG1 1 77 PHE QE 4.870 . 4.870 2.665 2.005 3.429 . 0 0 "[ . 1 . 2]" 1
406 1 18 VAL MG1 1 77 PHE HZ 5.450 . 5.450 2.007 1.706 2.627 . 0 0 "[ . 1 . 2]" 1
407 1 18 VAL MG2 1 19 HIS H 5.480 . 5.480 4.211 3.948 4.406 . 0 0 "[ . 1 . 2]" 1
408 1 18 VAL MG2 1 20 LEU MD1 5.180 . 5.180 4.302 2.807 5.188 0.008 9 0 "[ . 1 . 2]" 1
409 1 18 VAL MG2 1 20 LEU MD2 6.300 . 6.300 4.055 2.317 5.508 . 0 0 "[ . 1 . 2]" 1
410 1 18 VAL MG2 1 29 TRP HH2 3.950 . 3.950 2.435 2.017 3.494 . 0 0 "[ . 1 . 2]" 1
411 1 18 VAL MG2 1 29 TRP HZ2 4.420 . 4.420 2.081 1.824 2.622 . 0 0 "[ . 1 . 2]" 1
412 1 18 VAL MG2 1 29 TRP HZ3 5.280 . 5.280 4.285 3.996 5.327 0.047 15 0 "[ . 1 . 2]" 1
413 1 18 VAL MG2 1 51 GLN HB3 5.930 . 5.930 3.366 3.176 3.646 . 0 0 "[ . 1 . 2]" 1
414 1 18 VAL MG2 1 53 LEU HB2 6.300 . 6.300 5.126 4.611 6.034 . 0 0 "[ . 1 . 2]" 1
415 1 18 VAL MG2 1 68 CYS HB2 5.750 . 5.750 3.240 2.750 4.439 . 0 0 "[ . 1 . 2]" 1
416 1 18 VAL MG2 1 68 CYS HB3 5.750 . 5.750 3.699 3.170 4.233 . 0 0 "[ . 1 . 2]" 1
417 1 18 VAL MG2 1 75 ARG QB 4.750 . 4.750 4.573 4.065 4.892 0.142 5 0 "[ . 1 . 2]" 1
418 1 18 VAL MG2 1 77 PHE QE 3.870 . 3.870 2.676 1.831 3.937 0.067 15 0 "[ . 1 . 2]" 1
419 1 18 VAL MG2 1 77 PHE HZ 4.620 . 4.620 2.162 1.632 4.143 . 0 0 "[ . 1 . 2]" 1
420 1 19 HIS H 1 20 LEU MD2 6.300 . 6.300 5.264 4.954 5.653 . 0 0 "[ . 1 . 2]" 1
421 1 19 HIS HE1 1 50 ARG QD 4.570 . 4.570 4.334 3.336 4.701 0.131 10 0 "[ . 1 . 2]" 1
422 1 19 HIS HE1 1 50 ARG QG 5.310 . 5.310 4.214 2.910 5.306 . 0 0 "[ . 1 . 2]" 1
423 1 20 LEU H 1 20 LEU HB2 4.360 . 4.360 3.270 2.211 3.648 . 0 0 "[ . 1 . 2]" 1
424 1 20 LEU H 1 20 LEU HG 4.270 . 4.270 2.335 2.000 3.469 . 0 0 "[ . 1 . 2]" 1
425 1 20 LEU HA 1 20 LEU MD2 4.460 . 4.460 3.528 1.944 4.192 . 0 0 "[ . 1 . 2]" 1
426 1 20 LEU HB2 1 21 SER H 5.400 . 5.400 2.891 2.081 4.612 . 0 0 "[ . 1 . 2]" 1
427 1 20 LEU HB2 1 21 SER QB 6.300 . 6.300 4.835 3.971 6.151 . 0 0 "[ . 1 . 2]" 1
428 1 20 LEU HB2 1 22 GLY H 5.350 . 5.350 3.361 2.410 4.944 . 0 0 "[ . 1 . 2]" 1
429 1 20 LEU HB2 1 22 GLY HA2 6.180 . 6.180 5.335 4.311 6.214 0.034 2 0 "[ . 1 . 2]" 1
430 1 20 LEU HB3 1 20 LEU MD1 3.290 . 3.290 3.034 2.365 3.298 0.008 18 0 "[ . 1 . 2]" 1
431 1 20 LEU HB3 1 21 SER H 4.980 . 4.980 3.457 2.460 4.013 . 0 0 "[ . 1 . 2]" 1
432 1 20 LEU HB3 1 22 GLY H 4.780 . 4.780 4.111 2.125 4.860 0.080 9 0 "[ . 1 . 2]" 1
433 1 20 LEU MD1 1 22 GLY HA3 5.590 . 5.590 3.196 2.088 5.369 . 0 0 "[ . 1 . 2]" 1
434 1 20 LEU MD1 1 51 GLN HE21 6.060 . 6.060 5.190 3.524 5.896 . 0 0 "[ . 1 . 2]" 1
435 1 20 LEU MD1 1 51 GLN HE22 6.300 . 6.300 6.190 4.964 6.541 0.241 18 0 "[ . 1 . 2]" 1
436 1 20 LEU MD1 1 51 GLN HG2 5.650 . 5.650 3.707 3.257 4.424 . 0 0 "[ . 1 . 2]" 1
437 1 20 LEU MD1 1 51 GLN HG3 4.050 . 4.050 3.882 3.207 4.139 0.089 3 0 "[ . 1 . 2]" 1
438 1 20 LEU MD1 1 73 ASP QB 6.160 . 6.160 4.082 3.174 5.763 . 0 0 "[ . 1 . 2]" 1
439 1 20 LEU MD1 1 75 ARG QG 5.530 . 5.530 4.569 2.553 5.560 0.030 12 0 "[ . 1 . 2]" 1
440 1 20 LEU MD1 1 77 PHE QE 6.300 . 6.300 5.465 3.833 6.490 0.190 15 0 "[ . 1 . 2]" 1
441 1 20 LEU MD2 1 21 SER H 5.590 . 5.590 4.107 2.446 5.008 . 0 0 "[ . 1 . 2]" 1
442 1 20 LEU MD2 1 51 GLN HG2 6.160 . 6.160 4.867 3.727 6.198 0.038 19 0 "[ . 1 . 2]" 1
443 1 20 LEU MD2 1 51 GLN HG3 6.300 . 6.300 4.569 3.364 6.229 . 0 0 "[ . 1 . 2]" 1
444 1 20 LEU MD2 1 70 ALA MB 4.270 . 4.270 2.741 2.070 4.168 . 0 0 "[ . 1 . 2]" 1
445 1 20 LEU MD2 1 73 ASP QB 4.760 . 4.760 3.775 2.413 4.708 . 0 0 "[ . 1 . 2]" 1
446 1 20 LEU MD2 1 75 ARG QB 4.970 . 4.970 2.300 1.736 3.227 . 0 0 "[ . 1 . 2]" 1
447 1 20 LEU HG 1 51 GLN HG2 5.900 . 5.900 4.890 4.031 5.880 . 0 0 "[ . 1 . 2]" 1
448 1 21 SER H 1 22 GLY H 5.290 . 5.290 2.997 2.091 4.036 . 0 0 "[ . 1 . 2]" 1
449 1 22 GLY HA2 1 23 PRO HB2 6.040 . 6.040 5.575 5.101 5.902 . 0 0 "[ . 1 . 2]" 1
450 1 22 GLY HA2 1 23 PRO QG 6.010 . 6.010 4.080 3.674 4.455 . 0 0 "[ . 1 . 2]" 1
451 1 22 GLY HA3 1 23 PRO HB3 6.300 . 6.300 6.032 5.239 6.528 0.228 19 0 "[ . 1 . 2]" 1
452 1 22 GLY HA3 1 23 PRO QG 6.300 . 6.300 4.939 4.230 5.327 . 0 0 "[ . 1 . 2]" 1
453 1 23 PRO HD2 1 72 GLN HB2 6.300 . 6.300 4.253 2.830 6.329 0.029 5 0 "[ . 1 . 2]" 1
454 1 23 PRO HD2 1 72 GLN QG 6.300 . 6.300 4.377 2.071 6.341 0.041 19 0 "[ . 1 . 2]" 1
455 1 25 GLY HA3 1 26 PRO HB3 6.030 . 6.030 4.482 4.034 5.114 . 0 0 "[ . 1 . 2]" 1
456 1 25 GLY HA3 1 27 VAL H 5.130 . 5.130 3.394 2.131 5.153 0.023 20 0 "[ . 1 . 2]" 1
457 1 25 GLY HA3 1 27 VAL MG2 4.940 . 4.940 3.489 2.363 5.152 0.212 14 0 "[ . 1 . 2]" 1
458 1 27 VAL H 1 51 GLN HG2 5.760 . 5.760 5.453 4.363 5.867 0.107 4 0 "[ . 1 . 2]" 1
459 1 27 VAL HA 1 51 GLN HG2 6.300 . 6.300 6.285 6.029 6.492 0.192 10 0 "[ . 1 . 2]" 1
460 1 27 VAL HA 1 70 ALA HA 5.190 . 5.190 2.730 2.213 3.697 . 0 0 "[ . 1 . 2]" 1
461 1 27 VAL HA 1 70 ALA MB 6.210 . 6.210 3.876 3.101 4.886 . 0 0 "[ . 1 . 2]" 1
462 1 27 VAL HB 1 29 TRP HE1 5.710 . 5.710 4.859 3.685 5.746 0.036 4 0 "[ . 1 . 2]" 1
463 1 27 VAL HB 1 70 ALA MB 5.700 . 5.700 4.503 4.086 5.612 . 0 0 "[ . 1 . 2]" 1
464 1 27 VAL MG1 1 28 ARG H 4.770 . 4.770 2.625 2.215 2.933 . 0 0 "[ . 1 . 2]" 1
465 1 27 VAL MG1 1 29 TRP HD1 5.180 . 5.180 4.420 2.521 5.097 . 0 0 "[ . 1 . 2]" 1
466 1 27 VAL MG1 1 29 TRP HE1 4.840 . 4.840 4.219 2.281 4.859 0.019 4 0 "[ . 1 . 2]" 1
467 1 27 VAL MG1 1 51 GLN HB2 6.120 . 6.120 3.800 3.461 4.287 . 0 0 "[ . 1 . 2]" 1
468 1 27 VAL MG1 1 51 GLN HG2 6.010 . 6.010 3.521 2.777 4.716 . 0 0 "[ . 1 . 2]" 1
469 1 27 VAL MG1 1 51 GLN HG3 5.320 . 5.320 2.284 1.896 3.324 . 0 0 "[ . 1 . 2]" 1
470 1 27 VAL MG1 1 68 CYS HA 5.750 . 5.750 3.163 2.269 3.630 . 0 0 "[ . 1 . 2]" 1
471 1 27 VAL MG1 1 69 ASP H 5.830 . 5.830 3.219 2.810 4.019 . 0 0 "[ . 1 . 2]" 1
472 1 27 VAL MG1 1 70 ALA HA 5.960 . 5.960 2.711 2.123 5.391 . 0 0 "[ . 1 . 2]" 1
473 1 27 VAL MG1 1 70 ALA MB 5.210 . 5.210 2.606 2.054 4.445 . 0 0 "[ . 1 . 2]" 1
474 1 27 VAL MG2 1 51 GLN HB3 6.300 . 6.300 4.811 3.720 5.636 . 0 0 "[ . 1 . 2]" 1
475 1 27 VAL MG2 1 51 GLN HE21 4.940 . 4.940 3.269 2.322 4.342 . 0 0 "[ . 1 . 2]" 1
476 1 27 VAL MG2 1 51 GLN HE22 5.220 . 5.220 3.700 2.897 4.426 . 0 0 "[ . 1 . 2]" 1
477 1 27 VAL MG2 1 51 GLN HG2 5.440 . 5.440 3.198 2.872 3.557 . 0 0 "[ . 1 . 2]" 1
478 1 27 VAL MG2 1 51 GLN HG3 6.230 . 6.230 2.769 1.866 3.731 . 0 0 "[ . 1 . 2]" 1
479 1 27 VAL MG2 1 70 ALA MB 4.300 . 4.300 2.310 1.937 3.110 . 0 0 "[ . 1 . 2]" 1
480 1 27 VAL MG2 1 71 PRO HD2 6.140 . 6.140 2.979 1.974 4.173 . 0 0 "[ . 1 . 2]" 1
481 1 27 VAL MG2 1 71 PRO HD3 6.010 . 6.010 3.121 1.889 5.273 . 0 0 "[ . 1 . 2]" 1
482 1 28 ARG H 1 28 ARG QG 5.100 . 5.100 2.872 2.327 4.183 . 0 0 "[ . 1 . 2]" 1
483 1 28 ARG H 1 69 ASP H 5.120 . 5.120 3.539 3.142 4.011 . 0 0 "[ . 1 . 2]" 1
484 1 28 ARG H 1 69 ASP HB2 5.570 . 5.570 4.765 4.121 5.611 0.041 11 0 "[ . 1 . 2]" 1
485 1 28 ARG H 1 70 ALA HA 5.680 . 5.680 3.774 3.292 4.591 . 0 0 "[ . 1 . 2]" 1
486 1 28 ARG HA 1 29 TRP H 3.560 . 3.560 2.280 2.166 2.456 . 0 0 "[ . 1 . 2]" 1
487 1 28 ARG HA 1 29 TRP HD1 5.350 . 5.350 4.161 3.706 4.429 . 0 0 "[ . 1 . 2]" 1
488 1 28 ARG HB2 1 29 TRP H 5.680 . 5.680 3.956 3.543 4.515 . 0 0 "[ . 1 . 2]" 1
489 1 28 ARG HB2 1 30 TYR QE 3.850 . 3.850 2.653 2.062 3.886 0.036 4 0 "[ . 1 . 2]" 1
490 1 28 ARG HB2 1 69 ASP H 5.970 . 5.970 3.762 2.903 5.127 . 0 0 "[ . 1 . 2]" 1
491 1 28 ARG HB2 1 69 ASP HB2 5.570 . 5.570 3.925 3.177 5.316 . 0 0 "[ . 1 . 2]" 1
492 1 28 ARG HB3 1 29 TRP H 4.710 . 4.710 2.962 2.311 3.980 . 0 0 "[ . 1 . 2]" 1
493 1 28 ARG HB3 1 30 TYR HB2 6.300 . 6.300 6.264 6.000 6.449 0.149 12 0 "[ . 1 . 2]" 1
494 1 28 ARG HB3 1 30 TYR QE 4.550 . 4.550 2.889 2.251 3.323 . 0 0 "[ . 1 . 2]" 1
495 1 28 ARG QD 1 29 TRP H 6.300 . 6.300 4.745 3.573 5.517 . 0 0 "[ . 1 . 2]" 1
496 1 28 ARG QD 1 30 TYR QE 6.300 . 6.300 3.388 2.538 5.229 . 0 0 "[ . 1 . 2]" 1
497 1 28 ARG QD 1 35 ARG HG3 6.110 . 6.110 5.302 3.358 6.158 0.048 1 0 "[ . 1 . 2]" 1
498 1 28 ARG QG 1 29 TRP H 5.430 . 5.430 3.876 2.280 4.505 . 0 0 "[ . 1 . 2]" 1
499 1 28 ARG QG 1 29 TRP HD1 6.300 . 6.300 6.102 5.453 6.381 0.081 14 0 "[ . 1 . 2]" 1
500 1 28 ARG QG 1 30 TYR QD 6.300 . 6.300 5.349 4.034 5.871 . 0 0 "[ . 1 . 2]" 1
501 1 28 ARG QG 1 30 TYR QE 6.300 . 6.300 3.979 2.970 4.529 . 0 0 "[ . 1 . 2]" 1
502 1 29 TRP H 1 29 TRP HB3 4.090 . 4.090 3.669 3.600 3.789 . 0 0 "[ . 1 . 2]" 1
503 1 29 TRP H 1 29 TRP HD1 4.510 . 4.510 3.492 2.988 3.958 . 0 0 "[ . 1 . 2]" 1
504 1 29 TRP H 1 30 TYR H 5.780 . 5.780 4.418 4.212 4.579 . 0 0 "[ . 1 . 2]" 1
505 1 29 TRP H 1 30 TYR HA 6.100 . 6.100 5.148 4.901 5.342 . 0 0 "[ . 1 . 2]" 1
506 1 29 TRP H 1 36 LEU H 5.050 . 5.050 4.179 3.577 4.770 . 0 0 "[ . 1 . 2]" 1
507 1 29 TRP H 1 44 LEU MD1 6.300 . 6.300 4.006 3.410 4.834 . 0 0 "[ . 1 . 2]" 1
508 1 29 TRP HA 1 29 TRP HE3 5.250 . 5.250 2.961 2.725 3.272 . 0 0 "[ . 1 . 2]" 1
509 1 29 TRP HA 1 30 TYR H 3.710 . 3.710 2.179 2.121 2.276 . 0 0 "[ . 1 . 2]" 1
510 1 29 TRP HA 1 30 TYR QD 4.780 . 4.780 3.664 3.273 3.967 . 0 0 "[ . 1 . 2]" 1
511 1 29 TRP HA 1 30 TYR QE 5.110 . 5.110 5.037 4.646 5.247 0.137 17 0 "[ . 1 . 2]" 1
512 1 29 TRP HA 1 68 CYS HA 5.040 . 5.040 2.853 2.503 3.311 . 0 0 "[ . 1 . 2]" 1
513 1 29 TRP HA 1 69 ASP H 5.680 . 5.680 3.459 3.160 4.002 . 0 0 "[ . 1 . 2]" 1
514 1 29 TRP HB2 1 29 TRP HE3 4.210 . 4.210 4.118 4.070 4.163 . 0 0 "[ . 1 . 2]" 1
515 1 29 TRP HB2 1 30 TYR H 4.920 . 4.920 4.320 4.151 4.459 . 0 0 "[ . 1 . 2]" 1
516 1 29 TRP HB2 1 36 LEU HB2 5.610 . 5.610 2.916 1.979 3.634 . 0 0 "[ . 1 . 2]" 1
517 1 29 TRP HB2 1 36 LEU HG 4.920 . 4.920 4.356 3.549 4.975 0.055 17 0 "[ . 1 . 2]" 1
518 1 29 TRP HB2 1 42 VAL MG1 6.300 . 6.300 5.067 4.629 5.821 . 0 0 "[ . 1 . 2]" 1
519 1 29 TRP HB2 1 44 LEU MD1 6.300 . 6.300 3.036 2.522 3.672 . 0 0 "[ . 1 . 2]" 1
520 1 29 TRP HB2 1 44 LEU MD2 6.240 . 6.240 2.811 2.409 3.478 . 0 0 "[ . 1 . 2]" 1
521 1 29 TRP HB2 1 53 LEU MD2 6.300 . 6.300 4.221 3.438 4.831 . 0 0 "[ . 1 . 2]" 1
522 1 29 TRP HB2 1 53 LEU HG 5.820 . 5.820 4.553 3.995 5.071 . 0 0 "[ . 1 . 2]" 1
523 1 29 TRP HB3 1 29 TRP HD1 4.080 . 4.080 3.800 3.739 3.852 . 0 0 "[ . 1 . 2]" 1
524 1 29 TRP HB3 1 30 TYR H 5.960 . 5.960 3.289 2.991 3.589 . 0 0 "[ . 1 . 2]" 1
525 1 29 TRP HB3 1 36 LEU HB2 5.350 . 5.350 2.987 2.676 3.331 . 0 0 "[ . 1 . 2]" 1
526 1 29 TRP HB3 1 36 LEU HB3 5.790 . 5.790 4.555 4.144 5.034 . 0 0 "[ . 1 . 2]" 1
527 1 29 TRP HB3 1 36 LEU HG 5.320 . 5.320 3.450 2.952 3.882 . 0 0 "[ . 1 . 2]" 1
528 1 29 TRP HB3 1 44 LEU MD1 5.580 . 5.580 4.216 3.660 4.942 . 0 0 "[ . 1 . 2]" 1
529 1 29 TRP HB3 1 44 LEU MD2 5.870 . 5.870 3.331 2.763 4.111 . 0 0 "[ . 1 . 2]" 1
530 1 29 TRP HB3 1 53 LEU MD2 6.300 . 6.300 3.877 3.223 4.264 . 0 0 "[ . 1 . 2]" 1
531 1 29 TRP HB3 1 53 LEU HG 6.260 . 6.260 3.389 2.995 3.777 . 0 0 "[ . 1 . 2]" 1
532 1 29 TRP HD1 1 36 LEU HB2 6.300 . 6.300 5.214 4.196 5.954 . 0 0 "[ . 1 . 2]" 1
533 1 29 TRP HD1 1 44 LEU HB3 4.650 . 4.650 3.881 3.047 4.671 0.021 19 0 "[ . 1 . 2]" 1
534 1 29 TRP HD1 1 44 LEU MD1 3.700 . 3.700 3.117 2.291 3.435 . 0 0 "[ . 1 . 2]" 1
535 1 29 TRP HD1 1 44 LEU MD2 4.190 . 4.190 2.416 2.137 2.615 . 0 0 "[ . 1 . 2]" 1
536 1 29 TRP HD1 1 53 LEU MD2 6.100 . 6.100 4.821 3.991 5.370 . 0 0 "[ . 1 . 2]" 1
537 1 29 TRP HD1 1 53 LEU HG 5.870 . 5.870 5.507 5.055 5.914 0.044 7 0 "[ . 1 . 2]" 1
538 1 29 TRP HE1 1 44 LEU HB3 5.960 . 5.960 4.807 4.056 5.245 . 0 0 "[ . 1 . 2]" 1
539 1 29 TRP HE1 1 44 LEU MD1 5.030 . 5.030 4.949 3.808 5.153 0.123 15 0 "[ . 1 . 2]" 1
540 1 29 TRP HE1 1 44 LEU MD2 5.200 . 5.200 3.371 2.788 3.757 . 0 0 "[ . 1 . 2]" 1
541 1 29 TRP HE1 1 51 GLN HB2 4.760 . 4.760 3.402 2.705 3.836 . 0 0 "[ . 1 . 2]" 1
542 1 29 TRP HE1 1 51 GLN HB3 5.330 . 5.330 2.082 1.683 2.895 . 0 0 "[ . 1 . 2]" 1
543 1 29 TRP HE3 1 30 TYR H 5.610 . 5.610 3.182 2.551 3.652 . 0 0 "[ . 1 . 2]" 1
544 1 29 TRP HE3 1 36 LEU HG 4.910 . 4.910 4.886 4.637 5.087 0.177 1 0 "[ . 1 . 2]" 1
545 1 29 TRP HE3 1 53 LEU MD1 5.700 . 5.700 4.206 3.868 4.622 . 0 0 "[ . 1 . 2]" 1
546 1 29 TRP HE3 1 53 LEU MD2 6.300 . 6.300 4.738 4.145 4.967 . 0 0 "[ . 1 . 2]" 1
547 1 29 TRP HE3 1 53 LEU HG 4.640 . 4.640 3.422 3.206 3.596 . 0 0 "[ . 1 . 2]" 1
548 1 29 TRP HE3 1 66 TYR HB3 4.610 . 4.610 2.622 2.044 3.037 . 0 0 "[ . 1 . 2]" 1
549 1 29 TRP HE3 1 66 TYR QD 5.280 . 5.280 3.213 2.535 3.723 . 0 0 "[ . 1 . 2]" 1
550 1 29 TRP HH2 1 51 GLN HB3 6.300 . 6.300 5.347 4.701 6.092 . 0 0 "[ . 1 . 2]" 1
551 1 29 TRP HH2 1 53 LEU H 5.930 . 5.930 4.079 3.722 4.385 . 0 0 "[ . 1 . 2]" 1
552 1 29 TRP HH2 1 53 LEU HB2 5.070 . 5.070 4.432 3.823 4.784 . 0 0 "[ . 1 . 2]" 1
553 1 29 TRP HH2 1 53 LEU HB3 5.150 . 5.150 3.660 3.392 3.912 . 0 0 "[ . 1 . 2]" 1
554 1 29 TRP HH2 1 53 LEU HG 6.300 . 6.300 5.400 4.863 5.843 . 0 0 "[ . 1 . 2]" 1
555 1 29 TRP HH2 1 68 CYS HB3 6.300 . 6.300 4.747 4.340 5.678 . 0 0 "[ . 1 . 2]" 1
556 1 29 TRP HH2 1 77 PHE QD 4.920 . 4.920 3.861 3.185 4.523 . 0 0 "[ . 1 . 2]" 1
557 1 29 TRP HH2 1 77 PHE QE 4.240 . 4.240 3.228 2.481 3.908 . 0 0 "[ . 1 . 2]" 1
558 1 29 TRP HZ2 1 51 GLN HB2 4.040 . 4.040 2.803 2.577 3.119 . 0 0 "[ . 1 . 2]" 1
559 1 29 TRP HZ2 1 51 GLN HB3 3.950 . 3.950 3.007 2.395 3.782 . 0 0 "[ . 1 . 2]" 1
560 1 29 TRP HZ2 1 51 GLN HG2 5.370 . 5.370 5.186 4.884 5.389 0.019 12 0 "[ . 1 . 2]" 1
561 1 29 TRP HZ2 1 52 VAL H 5.630 . 5.630 4.271 3.819 4.690 . 0 0 "[ . 1 . 2]" 1
562 1 29 TRP HZ2 1 52 VAL HA 4.710 . 4.710 3.600 3.186 4.038 . 0 0 "[ . 1 . 2]" 1
563 1 29 TRP HZ2 1 53 LEU H 5.010 . 5.010 3.247 2.928 3.596 . 0 0 "[ . 1 . 2]" 1
564 1 29 TRP HZ2 1 53 LEU HB2 4.990 . 4.990 3.799 3.223 4.090 . 0 0 "[ . 1 . 2]" 1
565 1 29 TRP HZ2 1 53 LEU HB3 5.260 . 5.260 3.825 3.675 3.970 . 0 0 "[ . 1 . 2]" 1
566 1 29 TRP HZ2 1 53 LEU MD1 5.400 . 5.400 5.447 5.277 5.555 0.155 1 0 "[ . 1 . 2]" 1
567 1 29 TRP HZ3 1 53 LEU HB2 6.300 . 6.300 4.501 4.135 4.858 . 0 0 "[ . 1 . 2]" 1
568 1 29 TRP HZ3 1 53 LEU HB3 6.300 . 6.300 3.875 3.581 4.178 . 0 0 "[ . 1 . 2]" 1
569 1 29 TRP HZ3 1 53 LEU HG 5.750 . 5.750 4.383 3.952 4.744 . 0 0 "[ . 1 . 2]" 1
570 1 29 TRP HZ3 1 66 TYR HB2 5.470 . 5.470 2.992 2.613 3.561 . 0 0 "[ . 1 . 2]" 1
571 1 29 TRP HZ3 1 66 TYR HB3 4.910 . 4.910 2.361 2.049 3.037 . 0 0 "[ . 1 . 2]" 1
572 1 29 TRP HZ3 1 68 CYS HB2 5.320 . 5.320 3.570 3.070 5.408 0.088 2 0 "[ . 1 . 2]" 1
573 1 29 TRP HZ3 1 77 PHE QD 4.510 . 4.510 3.506 2.742 4.086 . 0 0 "[ . 1 . 2]" 1
574 1 30 TYR H 1 30 TYR QD 3.990 . 3.990 2.923 2.597 3.170 . 0 0 "[ . 1 . 2]" 1
575 1 30 TYR H 1 31 LYS HB2 6.300 . 6.300 5.430 5.105 5.818 . 0 0 "[ . 1 . 2]" 1
576 1 30 TYR H 1 36 LEU MD2 6.300 . 6.300 5.134 3.106 6.391 0.091 17 0 "[ . 1 . 2]" 1
577 1 30 TYR H 1 36 LEU HG 6.300 . 6.300 4.893 4.084 5.910 . 0 0 "[ . 1 . 2]" 1
578 1 30 TYR H 1 66 TYR HB3 6.300 . 6.300 4.452 3.923 5.249 . 0 0 "[ . 1 . 2]" 1
579 1 30 TYR H 1 67 LEU H 4.550 . 4.550 2.782 2.432 3.393 . 0 0 "[ . 1 . 2]" 1
580 1 30 TYR H 1 67 LEU HA 6.130 . 6.130 4.614 4.399 4.834 . 0 0 "[ . 1 . 2]" 1
581 1 30 TYR H 1 67 LEU HB2 5.590 . 5.590 4.689 4.287 5.076 . 0 0 "[ . 1 . 2]" 1
582 1 30 TYR H 1 67 LEU HB3 6.300 . 6.300 3.224 2.723 3.709 . 0 0 "[ . 1 . 2]" 1
583 1 30 TYR H 1 68 CYS HA 5.830 . 5.830 4.072 3.635 4.536 . 0 0 "[ . 1 . 2]" 1
584 1 30 TYR HA 1 30 TYR QD 4.400 . 4.400 3.050 2.895 3.232 . 0 0 "[ . 1 . 2]" 1
585 1 30 TYR HA 1 30 TYR QE 5.500 . 5.500 4.770 4.670 4.910 . 0 0 "[ . 1 . 2]" 1
586 1 30 TYR HA 1 31 LYS H 3.590 . 3.590 2.268 2.177 2.377 . 0 0 "[ . 1 . 2]" 1
587 1 30 TYR HA 1 31 LYS HB2 5.010 . 5.010 4.798 4.446 4.952 . 0 0 "[ . 1 . 2]" 1
588 1 30 TYR HA 1 35 ARG HA 4.650 . 4.650 1.810 1.573 2.241 . 0 0 "[ . 1 . 2]" 1
589 1 30 TYR HA 1 36 LEU H 4.410 . 4.410 2.992 2.477 3.381 . 0 0 "[ . 1 . 2]" 1
590 1 30 TYR HA 1 36 LEU MD2 5.760 . 5.760 3.773 2.573 4.704 . 0 0 "[ . 1 . 2]" 1
591 1 30 TYR HA 1 36 LEU HG 5.610 . 5.610 3.979 3.049 5.609 . 0 0 "[ . 1 . 2]" 1
592 1 30 TYR HB2 1 31 LYS H 5.130 . 5.130 4.018 3.649 4.346 . 0 0 "[ . 1 . 2]" 1
593 1 30 TYR HB2 1 67 LEU H 5.060 . 5.060 2.926 2.296 3.579 . 0 0 "[ . 1 . 2]" 1
594 1 30 TYR HB2 1 67 LEU HB2 4.810 . 4.810 3.220 3.040 3.598 . 0 0 "[ . 1 . 2]" 1
595 1 30 TYR HB2 1 67 LEU HB3 5.430 . 5.430 1.735 1.564 2.100 . 0 0 "[ . 1 . 2]" 1
596 1 30 TYR HB2 1 67 LEU MD2 5.520 . 5.520 2.953 2.519 3.436 . 0 0 "[ . 1 . 2]" 1
597 1 30 TYR HB2 1 67 LEU HG 6.250 . 6.250 3.799 3.404 4.122 . 0 0 "[ . 1 . 2]" 1
598 1 30 TYR HB3 1 31 LYS H 4.460 . 4.460 3.023 2.450 3.561 . 0 0 "[ . 1 . 2]" 1
599 1 30 TYR HB3 1 31 LYS HA 5.530 . 5.530 4.447 3.952 4.798 . 0 0 "[ . 1 . 2]" 1
600 1 30 TYR HB3 1 33 GLY H 5.240 . 5.240 3.579 3.197 3.932 . 0 0 "[ . 1 . 2]" 1
601 1 30 TYR HB3 1 33 GLY HA3 6.100 . 6.100 5.067 4.167 5.868 . 0 0 "[ . 1 . 2]" 1
602 1 30 TYR HB3 1 34 GLU H 4.960 . 4.960 3.685 3.117 4.240 . 0 0 "[ . 1 . 2]" 1
603 1 30 TYR HB3 1 67 LEU HB2 5.100 . 5.100 4.535 4.301 4.938 . 0 0 "[ . 1 . 2]" 1
604 1 30 TYR HB3 1 67 LEU HB3 5.840 . 5.840 3.339 2.970 3.720 . 0 0 "[ . 1 . 2]" 1
605 1 30 TYR HB3 1 67 LEU MD2 5.570 . 5.570 3.820 3.404 4.157 . 0 0 "[ . 1 . 2]" 1
606 1 30 TYR HB3 1 67 LEU HG 6.160 . 6.160 5.384 4.966 5.748 . 0 0 "[ . 1 . 2]" 1
607 1 30 TYR QD 1 31 LYS H 5.430 . 5.430 4.168 3.718 4.541 . 0 0 "[ . 1 . 2]" 1
608 1 30 TYR QD 1 34 GLU H 5.420 . 5.420 4.268 3.768 4.578 . 0 0 "[ . 1 . 2]" 1
609 1 30 TYR QD 1 34 GLU HA 4.650 . 4.650 2.952 2.311 3.387 . 0 0 "[ . 1 . 2]" 1
610 1 30 TYR QD 1 35 ARG H 4.900 . 4.900 2.654 2.337 3.317 . 0 0 "[ . 1 . 2]" 1
611 1 30 TYR QD 1 35 ARG HA 4.130 . 4.130 2.875 2.589 3.397 . 0 0 "[ . 1 . 2]" 1
612 1 30 TYR QD 1 35 ARG HB2 3.950 . 3.950 4.077 3.929 4.215 0.265 2 0 "[ . 1 . 2]" 1
613 1 30 TYR QD 1 35 ARG HB3 4.700 . 4.700 2.995 2.763 3.447 . 0 0 "[ . 1 . 2]" 1
614 1 30 TYR QD 1 67 LEU H 5.440 . 5.440 4.338 3.796 4.811 . 0 0 "[ . 1 . 2]" 1
615 1 30 TYR QD 1 67 LEU HB2 5.690 . 5.690 4.333 3.981 4.889 . 0 0 "[ . 1 . 2]" 1
616 1 30 TYR QD 1 67 LEU HB3 6.170 . 6.170 2.752 2.332 3.450 . 0 0 "[ . 1 . 2]" 1
617 1 30 TYR QD 1 67 LEU MD1 5.180 . 5.180 4.406 3.989 4.951 . 0 0 "[ . 1 . 2]" 1
618 1 30 TYR QD 1 67 LEU MD2 3.840 . 3.840 2.847 2.314 3.581 . 0 0 "[ . 1 . 2]" 1
619 1 30 TYR QD 1 67 LEU HG 4.170 . 4.170 2.909 2.317 3.680 . 0 0 "[ . 1 . 2]" 1
620 1 30 TYR QD 1 69 ASP H 5.990 . 5.990 3.396 3.009 3.760 . 0 0 "[ . 1 . 2]" 1
621 1 30 TYR QD 1 69 ASP HB3 4.540 . 4.540 3.334 2.603 4.259 . 0 0 "[ . 1 . 2]" 1
622 1 30 TYR QE 1 34 GLU HA 4.530 . 4.530 4.345 3.705 4.653 0.123 5 0 "[ . 1 . 2]" 1
623 1 30 TYR QE 1 35 ARG H 5.850 . 5.850 3.535 3.315 3.695 . 0 0 "[ . 1 . 2]" 1
624 1 30 TYR QE 1 35 ARG HA 4.820 . 4.820 4.152 3.674 4.528 . 0 0 "[ . 1 . 2]" 1
625 1 30 TYR QE 1 35 ARG HB2 6.060 . 6.060 4.065 3.638 4.368 . 0 0 "[ . 1 . 2]" 1
626 1 30 TYR QE 1 35 ARG HB3 4.770 . 4.770 2.673 2.430 3.066 . 0 0 "[ . 1 . 2]" 1
627 1 30 TYR QE 1 35 ARG QD 4.210 . 4.210 3.599 2.760 4.135 . 0 0 "[ . 1 . 2]" 1
628 1 30 TYR QE 1 35 ARG HG2 6.120 . 6.120 5.454 5.085 5.672 . 0 0 "[ . 1 . 2]" 1
629 1 30 TYR QE 1 35 ARG HG3 6.300 . 6.300 4.697 4.452 4.980 . 0 0 "[ . 1 . 2]" 1
630 1 30 TYR QE 1 67 LEU MD2 4.440 . 4.440 3.697 3.316 4.241 . 0 0 "[ . 1 . 2]" 1
631 1 30 TYR QE 1 69 ASP HB2 3.820 . 3.820 2.637 1.774 3.221 . 0 0 "[ . 1 . 2]" 1
632 1 30 TYR QE 1 69 ASP HB3 3.980 . 3.980 2.206 1.579 2.973 . 0 0 "[ . 1 . 2]" 1
633 1 31 LYS H 1 31 LYS HB2 3.980 . 3.980 3.321 3.085 3.558 . 0 0 "[ . 1 . 2]" 1
634 1 31 LYS H 1 32 ASP H 5.260 . 5.260 4.253 3.942 4.475 . 0 0 "[ . 1 . 2]" 1
635 1 31 LYS H 1 34 GLU H 4.280 . 4.280 3.212 2.911 3.693 . 0 0 "[ . 1 . 2]" 1
636 1 31 LYS H 1 34 GLU HB2 5.540 . 5.540 5.562 5.338 5.651 0.111 17 0 "[ . 1 . 2]" 1
637 1 31 LYS H 1 34 GLU HB3 5.690 . 5.690 4.481 4.116 5.788 0.098 16 0 "[ . 1 . 2]" 1
638 1 31 LYS H 1 35 ARG HA 5.290 . 5.290 3.396 3.066 3.751 . 0 0 "[ . 1 . 2]" 1
639 1 31 LYS H 1 35 ARG HG2 6.300 . 6.300 6.477 6.401 6.554 0.254 6 0 "[ . 1 . 2]" 1
640 1 31 LYS H 1 36 LEU H 5.810 . 5.810 4.250 4.022 4.541 . 0 0 "[ . 1 . 2]" 1
641 1 31 LYS H 1 36 LEU MD2 4.830 . 4.830 3.137 2.160 4.028 . 0 0 "[ . 1 . 2]" 1
642 1 31 LYS H 1 36 LEU HG 5.920 . 5.920 3.862 2.706 5.288 . 0 0 "[ . 1 . 2]" 1
643 1 31 LYS HA 1 32 ASP H 3.680 . 3.680 2.149 2.074 2.213 . 0 0 "[ . 1 . 2]" 1
644 1 31 LYS HA 1 33 GLY H 5.190 . 5.190 3.674 3.260 4.528 . 0 0 "[ . 1 . 2]" 1
645 1 31 LYS HA 1 36 LEU HG 6.160 . 6.160 5.066 4.520 6.209 0.049 2 0 "[ . 1 . 2]" 1
646 1 31 LYS HA 1 66 TYR HA 4.640 . 4.640 2.584 2.230 3.083 . 0 0 "[ . 1 . 2]" 1
647 1 31 LYS HA 1 66 TYR QD 5.580 . 5.580 4.022 3.395 4.430 . 0 0 "[ . 1 . 2]" 1
648 1 31 LYS HA 1 67 LEU H 5.640 . 5.640 3.793 3.296 4.150 . 0 0 "[ . 1 . 2]" 1
649 1 31 LYS HB2 1 34 GLU H 5.670 . 5.670 5.779 5.685 5.852 0.182 5 0 "[ . 1 . 2]" 1
650 1 31 LYS HB2 1 36 LEU MD2 4.020 . 4.020 2.621 2.090 2.914 . 0 0 "[ . 1 . 2]" 1
651 1 31 LYS HB2 1 53 LEU HG 6.300 . 6.300 5.236 5.053 5.423 . 0 0 "[ . 1 . 2]" 1
652 1 31 LYS HB2 1 66 TYR QD 5.430 . 5.430 3.003 2.760 3.298 . 0 0 "[ . 1 . 2]" 1
653 1 31 LYS HB2 1 66 TYR QE 4.950 . 4.950 3.045 2.619 3.559 . 0 0 "[ . 1 . 2]" 1
654 1 31 LYS HB3 1 36 LEU MD1 5.800 . 5.800 3.081 2.687 3.334 . 0 0 "[ . 1 . 2]" 1
655 1 31 LYS HB3 1 36 LEU MD2 4.230 . 4.230 2.030 1.702 2.678 . 0 0 "[ . 1 . 2]" 1
656 1 31 LYS HB3 1 53 LEU HG 6.300 . 6.300 6.397 6.213 6.510 0.210 10 0 "[ . 1 . 2]" 1
657 1 31 LYS HB3 1 66 TYR HA 6.300 . 6.300 5.075 4.602 5.651 . 0 0 "[ . 1 . 2]" 1
658 1 31 LYS HB3 1 66 TYR QD 4.780 . 4.780 4.544 4.355 4.802 0.022 10 0 "[ . 1 . 2]" 1
659 1 31 LYS HB3 1 66 TYR QE 4.420 . 4.420 4.271 3.915 4.584 0.164 17 0 "[ . 1 . 2]" 1
660 1 31 LYS HD2 1 32 ASP H 6.300 . 6.300 2.349 1.874 4.926 . 0 0 "[ . 1 . 2]" 1
661 1 31 LYS HD2 1 66 TYR QE 4.390 . 4.390 4.293 4.087 4.507 0.117 15 0 "[ . 1 . 2]" 1
662 1 31 LYS HD3 1 32 ASP H 5.380 . 5.380 3.648 3.411 4.287 . 0 0 "[ . 1 . 2]" 1
663 1 31 LYS HD3 1 36 LEU MD2 5.250 . 5.250 4.583 3.735 4.916 . 0 0 "[ . 1 . 2]" 1
664 1 31 LYS HD3 1 64 GLY HA2 6.300 . 6.300 5.598 5.135 6.286 . 0 0 "[ . 1 . 2]" 1
665 1 31 LYS HD3 1 66 TYR QE 6.250 . 6.250 3.108 2.868 5.113 . 0 0 "[ . 1 . 2]" 1
666 1 31 LYS HE2 1 32 ASP H 5.290 . 5.290 4.403 3.729 5.279 . 0 0 "[ . 1 . 2]" 1
667 1 31 LYS HE2 1 62 ASP HA 4.700 . 4.700 4.353 3.778 4.771 0.071 18 0 "[ . 1 . 2]" 1
668 1 31 LYS HE2 1 64 GLY HA2 5.490 . 5.490 4.474 3.524 5.541 0.051 15 0 "[ . 1 . 2]" 1
669 1 31 LYS HE2 1 66 TYR QE 5.060 . 5.060 4.007 2.779 4.944 . 0 0 "[ . 1 . 2]" 1
670 1 31 LYS HE3 1 32 ASP H 5.280 . 5.280 4.770 4.045 5.449 0.169 3 0 "[ . 1 . 2]" 1
671 1 31 LYS HE3 1 62 ASP HA 5.730 . 5.730 3.678 2.630 4.979 . 0 0 "[ . 1 . 2]" 1
672 1 31 LYS HE3 1 64 GLY H 4.590 . 4.590 4.015 2.789 4.615 0.025 1 0 "[ . 1 . 2]" 1
673 1 31 LYS HE3 1 64 GLY HA2 5.180 . 5.180 4.532 3.574 5.312 0.132 4 0 "[ . 1 . 2]" 1
674 1 31 LYS HE3 1 66 TYR QE 5.730 . 5.730 3.313 3.027 3.685 . 0 0 "[ . 1 . 2]" 1
675 1 31 LYS HG2 1 32 ASP H 4.940 . 4.940 4.571 2.838 5.077 0.137 17 0 "[ . 1 . 2]" 1
676 1 31 LYS HG2 1 32 ASP HB2 6.300 . 6.300 4.645 3.454 5.255 . 0 0 "[ . 1 . 2]" 1
677 1 31 LYS HG2 1 32 ASP HB3 6.020 . 6.020 5.513 4.445 6.314 0.294 7 0 "[ . 1 . 2]" 1
678 1 31 LYS HG3 1 32 ASP H 5.100 . 5.100 3.544 3.058 4.493 . 0 0 "[ . 1 . 2]" 1
679 1 31 LYS HG3 1 32 ASP HB3 6.300 . 6.300 3.918 3.125 5.436 . 0 0 "[ . 1 . 2]" 1
680 1 31 LYS HG3 1 36 LEU MD2 5.690 . 5.690 3.850 3.191 4.570 . 0 0 "[ . 1 . 2]" 1
681 1 31 LYS HG3 1 66 TYR QD 6.120 . 6.120 5.390 3.513 5.711 . 0 0 "[ . 1 . 2]" 1
682 1 31 LYS HG3 1 66 TYR QE 5.100 . 5.100 4.759 2.825 4.993 . 0 0 "[ . 1 . 2]" 1
683 1 32 ASP H 1 33 GLY H 4.650 . 4.650 2.806 2.618 3.710 . 0 0 "[ . 1 . 2]" 1
684 1 32 ASP H 1 65 GLU H 4.940 . 4.940 3.896 3.251 4.358 . 0 0 "[ . 1 . 2]" 1
685 1 32 ASP H 1 65 GLU HB2 5.300 . 5.300 3.809 3.261 4.435 . 0 0 "[ . 1 . 2]" 1
686 1 32 ASP H 1 65 GLU HB3 5.940 . 5.940 4.955 4.292 5.915 . 0 0 "[ . 1 . 2]" 1
687 1 32 ASP H 1 66 TYR HA 5.370 . 5.370 3.949 3.187 4.812 . 0 0 "[ . 1 . 2]" 1
688 1 32 ASP HA 1 65 GLU H 5.510 . 5.510 4.083 3.281 4.968 . 0 0 "[ . 1 . 2]" 1
689 1 32 ASP HB2 1 33 GLY H 5.300 . 5.300 4.307 3.788 4.604 . 0 0 "[ . 1 . 2]" 1
690 1 32 ASP HB2 1 34 GLU H 5.660 . 5.660 4.527 3.267 5.516 . 0 0 "[ . 1 . 2]" 1
691 1 33 GLY H 1 34 GLU H 4.410 . 4.410 2.480 1.580 2.744 . 0 0 "[ . 1 . 2]" 1
692 1 33 GLY H 1 67 LEU MD2 5.610 . 5.610 5.514 4.904 5.804 0.194 10 0 "[ . 1 . 2]" 1
693 1 34 GLU H 1 34 GLU HB2 3.990 . 3.990 3.138 2.837 3.938 . 0 0 "[ . 1 . 2]" 1
694 1 34 GLU H 1 34 GLU HB3 3.810 . 3.810 2.745 2.482 3.209 . 0 0 "[ . 1 . 2]" 1
695 1 34 GLU H 1 34 GLU HG3 4.810 . 4.810 4.712 4.207 4.831 0.021 13 0 "[ . 1 . 2]" 1
696 1 34 GLU HA 1 35 ARG H 3.450 . 3.450 2.210 2.128 2.391 . 0 0 "[ . 1 . 2]" 1
697 1 34 GLU HA 1 35 ARG HB2 6.300 . 6.300 5.685 5.564 5.775 . 0 0 "[ . 1 . 2]" 1
698 1 34 GLU HA 1 35 ARG HB3 6.300 . 6.300 4.401 4.246 4.601 . 0 0 "[ . 1 . 2]" 1
699 1 34 GLU HA 1 35 ARG QD 5.070 . 5.070 3.476 3.241 3.972 . 0 0 "[ . 1 . 2]" 1
700 1 34 GLU HA 1 35 ARG HG3 6.300 . 6.300 6.115 5.957 6.285 . 0 0 "[ . 1 . 2]" 1
701 1 34 GLU HB2 1 35 ARG H 4.980 . 4.980 4.054 2.592 4.298 . 0 0 "[ . 1 . 2]" 1
702 1 34 GLU HB3 1 35 ARG H 5.860 . 5.860 4.024 3.576 4.322 . 0 0 "[ . 1 . 2]" 1
703 1 34 GLU HB3 1 35 ARG QD 6.300 . 6.300 4.575 4.016 5.228 . 0 0 "[ . 1 . 2]" 1
704 1 34 GLU HB3 1 36 LEU MD2 6.240 . 6.240 4.917 4.351 6.278 0.038 16 0 "[ . 1 . 2]" 1
705 1 34 GLU HG2 1 35 ARG H 6.300 . 6.300 2.939 2.219 3.887 . 0 0 "[ . 1 . 2]" 1
706 1 34 GLU HG2 1 35 ARG HB2 6.300 . 6.300 5.648 5.287 6.611 0.311 3 0 "[ . 1 . 2]" 1
707 1 34 GLU HG3 1 35 ARG H 5.820 . 5.820 2.919 2.225 4.596 . 0 0 "[ . 1 . 2]" 1
708 1 35 ARG H 1 35 ARG HB3 4.020 . 4.020 2.435 2.347 2.621 . 0 0 "[ . 1 . 2]" 1
709 1 35 ARG H 1 35 ARG QD 5.610 . 5.610 1.893 1.658 2.112 . 0 0 "[ . 1 . 2]" 1
710 1 35 ARG HA 1 35 ARG QD 4.770 . 4.770 3.720 3.678 3.763 . 0 0 "[ . 1 . 2]" 1
711 1 35 ARG HA 1 36 LEU H 3.510 . 3.510 2.267 2.203 2.323 . 0 0 "[ . 1 . 2]" 1
712 1 35 ARG HB2 1 36 LEU H 5.680 . 5.680 2.807 2.537 2.999 . 0 0 "[ . 1 . 2]" 1
713 1 35 ARG QD 1 36 LEU H 4.800 . 4.800 4.825 4.688 4.966 0.166 3 0 "[ . 1 . 2]" 1
714 1 35 ARG HG2 1 36 LEU H 4.130 . 4.130 3.795 3.650 4.020 . 0 0 "[ . 1 . 2]" 1
715 1 35 ARG HG2 1 36 LEU HA 5.950 . 5.950 4.183 3.970 4.476 . 0 0 "[ . 1 . 2]" 1
716 1 35 ARG HG2 1 37 ALA MB 5.880 . 5.880 4.256 3.734 4.692 . 0 0 "[ . 1 . 2]" 1
717 1 35 ARG HG3 1 36 LEU H 5.060 . 5.060 4.721 4.524 4.971 . 0 0 "[ . 1 . 2]" 1
718 1 36 LEU H 1 36 LEU HB2 4.160 . 4.160 2.503 2.363 2.606 . 0 0 "[ . 1 . 2]" 1
719 1 36 LEU H 1 36 LEU MD2 5.510 . 5.510 3.112 2.265 3.564 . 0 0 "[ . 1 . 2]" 1
720 1 36 LEU H 1 36 LEU HG 5.240 . 5.240 3.144 2.478 4.247 . 0 0 "[ . 1 . 2]" 1
721 1 36 LEU HA 1 36 LEU MD2 4.050 . 4.050 2.264 2.001 2.913 . 0 0 "[ . 1 . 2]" 1
722 1 36 LEU HA 1 37 ALA H 3.410 . 3.410 2.284 2.152 2.405 . 0 0 "[ . 1 . 2]" 1
723 1 36 LEU HB2 1 37 ALA H 5.010 . 5.010 3.876 3.614 4.297 . 0 0 "[ . 1 . 2]" 1
724 1 36 LEU HB2 1 42 VAL HB 5.970 . 5.970 5.866 5.488 6.138 0.168 3 0 "[ . 1 . 2]" 1
725 1 36 LEU HB2 1 42 VAL MG1 5.670 . 5.670 3.243 2.903 3.660 . 0 0 "[ . 1 . 2]" 1
726 1 36 LEU HB2 1 44 LEU MD1 6.100 . 6.100 3.034 2.393 3.540 . 0 0 "[ . 1 . 2]" 1
727 1 36 LEU HB2 1 44 LEU MD2 6.030 . 6.030 3.023 2.331 3.540 . 0 0 "[ . 1 . 2]" 1
728 1 36 LEU HB2 1 53 LEU MD2 6.300 . 6.300 3.491 3.098 3.975 . 0 0 "[ . 1 . 2]" 1
729 1 36 LEU HB3 1 37 ALA H 5.430 . 5.430 2.753 2.406 3.411 . 0 0 "[ . 1 . 2]" 1
730 1 36 LEU HB3 1 42 VAL MG1 5.430 . 5.430 1.950 1.747 2.247 . 0 0 "[ . 1 . 2]" 1
731 1 36 LEU HB3 1 44 LEU MD1 5.760 . 5.760 3.435 2.736 4.050 . 0 0 "[ . 1 . 2]" 1
732 1 36 LEU HB3 1 53 LEU HG 6.300 . 6.300 4.886 4.259 5.228 . 0 0 "[ . 1 . 2]" 1
733 1 36 LEU MD1 1 39 GLN H 6.150 . 6.150 6.227 5.915 6.434 0.284 5 0 "[ . 1 . 2]" 1
734 1 36 LEU MD1 1 66 TYR QE 6.090 . 6.090 2.386 1.869 3.337 . 0 0 "[ . 1 . 2]" 1
735 1 36 LEU MD2 1 37 ALA H 4.510 . 4.510 3.821 3.416 4.615 0.105 3 0 "[ . 1 . 2]" 1
736 1 36 LEU MD2 1 37 ALA MB 5.350 . 5.350 5.090 4.798 5.609 0.259 10 0 "[ . 1 . 2]" 1
737 1 36 LEU MD2 1 53 LEU MD2 6.300 . 6.300 3.948 3.349 4.243 . 0 0 "[ . 1 . 2]" 1
738 1 36 LEU MD2 1 53 LEU HG 6.300 . 6.300 4.704 3.088 5.257 . 0 0 "[ . 1 . 2]" 1
739 1 36 LEU MD2 1 66 TYR QD 6.300 . 6.300 4.105 2.610 4.717 . 0 0 "[ . 1 . 2]" 1
740 1 36 LEU MD2 1 66 TYR QE 6.070 . 6.070 3.763 2.768 4.125 . 0 0 "[ . 1 . 2]" 1
741 1 36 LEU HG 1 44 LEU MD2 5.370 . 5.370 4.458 3.072 5.356 . 0 0 "[ . 1 . 2]" 1
742 1 36 LEU HG 1 53 LEU MD2 4.090 . 4.090 3.726 1.955 4.454 0.364 14 0 "[ . 1 . 2]" 1
743 1 36 LEU HG 1 53 LEU HG 4.370 . 4.370 4.061 2.331 4.575 0.205 14 0 "[ . 1 . 2]" 1
744 1 36 LEU HG 1 66 TYR QD 4.910 . 4.910 3.948 3.142 4.374 . 0 0 "[ . 1 . 2]" 1
745 1 36 LEU HG 1 66 TYR QE 5.110 . 5.110 4.266 3.585 4.835 . 0 0 "[ . 1 . 2]" 1
746 1 37 ALA H 1 37 ALA MB 3.620 . 3.620 2.466 2.284 2.666 . 0 0 "[ . 1 . 2]" 1
747 1 37 ALA H 1 42 VAL HB 5.960 . 5.960 4.228 3.012 4.974 . 0 0 "[ . 1 . 2]" 1
748 1 37 ALA H 1 42 VAL MG1 5.280 . 5.280 3.081 2.079 3.806 . 0 0 "[ . 1 . 2]" 1
749 1 37 ALA H 1 44 LEU MD1 6.300 . 6.300 4.091 3.392 4.640 . 0 0 "[ . 1 . 2]" 1
750 1 37 ALA H 1 44 LEU MD2 5.930 . 5.930 5.243 4.481 5.957 0.027 1 0 "[ . 1 . 2]" 1
751 1 37 ALA HA 1 44 LEU MD1 4.780 . 4.780 3.024 2.345 3.959 . 0 0 "[ . 1 . 2]" 1
752 1 37 ALA MB 1 38 SER H 5.620 . 5.620 2.840 2.502 3.450 . 0 0 "[ . 1 . 2]" 1
753 1 37 ALA MB 1 39 GLN HB2 5.860 . 5.860 3.987 3.021 5.217 . 0 0 "[ . 1 . 2]" 1
754 1 37 ALA MB 1 39 GLN HB3 5.710 . 5.710 4.854 3.845 5.800 0.090 7 0 "[ . 1 . 2]" 1
755 1 37 ALA MB 1 39 GLN QG 5.000 . 5.000 3.671 2.342 5.059 0.059 9 0 "[ . 1 . 2]" 1
756 1 38 SER H 1 42 VAL MG1 6.300 . 6.300 4.580 3.399 5.470 . 0 0 "[ . 1 . 2]" 1
757 1 38 SER H 1 44 LEU MD1 6.300 . 6.300 2.855 2.138 3.426 . 0 0 "[ . 1 . 2]" 1
758 1 38 SER HA 1 39 GLN H 3.580 . 3.580 2.276 2.140 2.934 . 0 0 "[ . 1 . 2]" 1
759 1 38 SER HA 1 42 VAL MG1 4.910 . 4.910 3.171 2.240 4.134 . 0 0 "[ . 1 . 2]" 1
760 1 38 SER HA 1 44 LEU H 4.750 . 4.750 3.241 2.585 3.630 . 0 0 "[ . 1 . 2]" 1
761 1 38 SER HA 1 44 LEU MD1 6.160 . 6.160 3.395 2.860 4.201 . 0 0 "[ . 1 . 2]" 1
762 1 38 SER HA 1 44 LEU HG 5.800 . 5.800 2.935 2.377 3.542 . 0 0 "[ . 1 . 2]" 1
763 1 38 SER HB2 1 39 GLN H 5.470 . 5.470 4.099 3.837 4.510 . 0 0 "[ . 1 . 2]" 1
764 1 38 SER HB2 1 42 VAL MG1 6.300 . 6.300 5.237 3.892 6.319 0.019 13 0 "[ . 1 . 2]" 1
765 1 38 SER HB2 1 43 GLN HA 5.660 . 5.660 4.074 2.821 5.126 . 0 0 "[ . 1 . 2]" 1
766 1 38 SER HB2 1 44 LEU H 5.150 . 5.150 3.244 2.390 4.265 . 0 0 "[ . 1 . 2]" 1
767 1 38 SER HB2 1 44 LEU HB2 6.140 . 6.140 3.522 2.254 4.395 . 0 0 "[ . 1 . 2]" 1
768 1 38 SER HB2 1 44 LEU MD1 6.300 . 6.300 4.178 2.654 4.851 . 0 0 "[ . 1 . 2]" 1
769 1 38 SER HB2 1 44 LEU HG 5.700 . 5.700 4.371 3.336 5.152 . 0 0 "[ . 1 . 2]" 1
770 1 38 SER HB3 1 39 GLN H 5.680 . 5.680 4.545 4.425 4.682 . 0 0 "[ . 1 . 2]" 1
771 1 38 SER HB3 1 42 VAL MG1 5.870 . 5.870 4.846 3.021 5.945 0.075 13 0 "[ . 1 . 2]" 1
772 1 38 SER HB3 1 43 GLN HA 6.300 . 6.300 4.763 3.356 5.874 . 0 0 "[ . 1 . 2]" 1
773 1 38 SER HB3 1 44 LEU H 4.670 . 4.670 3.332 2.035 4.483 . 0 0 "[ . 1 . 2]" 1
774 1 38 SER HB3 1 44 LEU HB2 4.860 . 4.860 2.509 1.889 3.957 . 0 0 "[ . 1 . 2]" 1
775 1 38 SER HB3 1 44 LEU HB3 6.180 . 6.180 4.117 3.499 5.593 . 0 0 "[ . 1 . 2]" 1
776 1 38 SER HB3 1 44 LEU MD1 5.390 . 5.390 2.854 2.351 3.738 . 0 0 "[ . 1 . 2]" 1
777 1 38 SER HB3 1 44 LEU HG 4.950 . 4.950 3.437 2.141 4.915 . 0 0 "[ . 1 . 2]" 1
778 1 39 GLN H 1 39 GLN QG 4.790 . 4.790 3.471 2.215 4.353 . 0 0 "[ . 1 . 2]" 1
779 1 39 GLN H 1 42 VAL H 5.100 . 5.100 3.630 3.084 4.478 . 0 0 "[ . 1 . 2]" 1
780 1 39 GLN H 1 42 VAL HB 4.990 . 4.990 2.632 1.896 3.838 . 0 0 "[ . 1 . 2]" 1
781 1 39 GLN H 1 42 VAL MG1 5.000 . 5.000 3.417 2.926 4.492 . 0 0 "[ . 1 . 2]" 1
782 1 39 GLN H 1 42 VAL MG2 6.020 . 6.020 4.226 3.529 5.150 . 0 0 "[ . 1 . 2]" 1
783 1 39 GLN H 1 43 GLN HA 4.620 . 4.620 4.247 3.392 4.673 0.053 7 0 "[ . 1 . 2]" 1
784 1 39 GLN HB2 1 42 VAL H 5.320 . 5.320 4.007 2.305 5.529 0.209 3 0 "[ . 1 . 2]" 1
785 1 41 ARG HA 1 56 GLN H 5.350 . 5.350 3.324 2.733 4.323 . 0 0 "[ . 1 . 2]" 1
786 1 41 ARG HA 1 56 GLN HG3 5.940 . 5.940 4.481 2.876 5.973 0.033 12 0 "[ . 1 . 2]" 1
787 1 41 ARG HB2 1 42 VAL HA 6.300 . 6.300 4.763 4.222 5.894 . 0 0 "[ . 1 . 2]" 1
788 1 41 ARG HB2 1 55 VAL HA 6.300 . 6.300 4.877 3.860 6.202 . 0 0 "[ . 1 . 2]" 1
789 1 41 ARG HB2 1 55 VAL MG1 5.720 . 5.720 4.346 3.127 5.775 0.055 13 0 "[ . 1 . 2]" 1
790 1 41 ARG HB3 1 42 VAL H 5.430 . 5.430 3.587 2.428 4.436 . 0 0 "[ . 1 . 2]" 1
791 1 41 ARG HB3 1 42 VAL MG2 6.300 . 6.300 3.656 2.739 4.664 . 0 0 "[ . 1 . 2]" 1
792 1 41 ARG HB3 1 55 VAL MG1 5.390 . 5.390 3.918 2.472 5.353 . 0 0 "[ . 1 . 2]" 1
793 1 41 ARG QD 1 55 VAL MG1 6.300 . 6.300 4.338 2.377 5.944 . 0 0 "[ . 1 . 2]" 1
794 1 41 ARG QG 1 42 VAL H 5.150 . 5.150 3.835 2.193 4.971 . 0 0 "[ . 1 . 2]" 1
795 1 41 ARG QG 1 42 VAL MG2 5.040 . 5.040 3.924 1.719 5.185 0.145 12 0 "[ . 1 . 2]" 1
796 1 41 ARG QG 1 55 VAL MG1 6.180 . 6.180 4.360 2.586 6.054 . 0 0 "[ . 1 . 2]" 1
797 1 42 VAL H 1 42 VAL HB 3.700 . 3.700 2.560 2.457 2.761 . 0 0 "[ . 1 . 2]" 1
798 1 42 VAL H 1 42 VAL MG1 4.620 . 4.620 3.846 3.789 3.946 . 0 0 "[ . 1 . 2]" 1
799 1 42 VAL H 1 42 VAL MG2 3.970 . 3.970 2.406 2.172 2.874 . 0 0 "[ . 1 . 2]" 1
800 1 42 VAL H 1 43 GLN H 5.440 . 5.440 4.142 3.695 4.508 . 0 0 "[ . 1 . 2]" 1
801 1 42 VAL HA 1 43 GLN H 3.230 . 3.230 2.236 2.142 2.328 . 0 0 "[ . 1 . 2]" 1
802 1 42 VAL HA 1 43 GLN HB2 4.960 . 4.960 4.703 4.485 4.872 . 0 0 "[ . 1 . 2]" 1
803 1 42 VAL HA 1 43 GLN HB3 5.990 . 5.990 5.814 5.688 5.929 . 0 0 "[ . 1 . 2]" 1
804 1 42 VAL HA 1 43 GLN HG2 5.880 . 5.880 5.239 4.116 5.558 . 0 0 "[ . 1 . 2]" 1
805 1 42 VAL HA 1 43 GLN HG3 6.020 . 6.020 4.219 3.705 5.964 . 0 0 "[ . 1 . 2]" 1
806 1 42 VAL HA 1 53 LEU MD2 6.300 . 6.300 3.312 2.944 4.415 . 0 0 "[ . 1 . 2]" 1
807 1 42 VAL HB 1 43 GLN H 5.550 . 5.550 4.441 4.041 4.552 . 0 0 "[ . 1 . 2]" 1
808 1 42 VAL MG1 1 43 GLN H 3.820 . 3.820 3.362 2.411 3.704 . 0 0 "[ . 1 . 2]" 1
809 1 42 VAL MG1 1 44 LEU H 5.470 . 5.470 4.202 3.364 4.775 . 0 0 "[ . 1 . 2]" 1
810 1 42 VAL MG1 1 44 LEU MD2 4.410 . 4.410 2.847 2.412 3.317 . 0 0 "[ . 1 . 2]" 1
811 1 42 VAL MG1 1 44 LEU HG 4.860 . 4.860 2.638 2.001 3.454 . 0 0 "[ . 1 . 2]" 1
812 1 42 VAL MG1 1 53 LEU MD2 4.010 . 4.010 1.934 1.794 2.135 . 0 0 "[ . 1 . 2]" 1
813 1 42 VAL MG2 1 43 GLN H 5.130 . 5.130 4.280 3.950 4.427 . 0 0 "[ . 1 . 2]" 1
814 1 42 VAL MG2 1 44 LEU MD2 5.730 . 5.730 4.983 4.548 5.415 . 0 0 "[ . 1 . 2]" 1
815 1 42 VAL MG2 1 53 LEU MD2 5.340 . 5.340 3.402 2.948 3.893 . 0 0 "[ . 1 . 2]" 1
816 1 43 GLN H 1 43 GLN HB3 4.350 . 4.350 3.695 3.616 3.854 . 0 0 "[ . 1 . 2]" 1
817 1 43 GLN H 1 43 GLN HG2 5.400 . 5.400 3.622 2.471 4.298 . 0 0 "[ . 1 . 2]" 1
818 1 43 GLN H 1 43 GLN HG3 5.680 . 5.680 2.701 2.189 4.046 . 0 0 "[ . 1 . 2]" 1
819 1 43 GLN H 1 44 LEU H 5.860 . 5.860 4.356 3.926 4.603 . 0 0 "[ . 1 . 2]" 1
820 1 43 GLN H 1 44 LEU MD2 5.330 . 5.330 4.591 3.895 5.128 . 0 0 "[ . 1 . 2]" 1
821 1 43 GLN H 1 55 VAL MG1 6.090 . 6.090 5.620 5.316 5.964 . 0 0 "[ . 1 . 2]" 1
822 1 43 GLN H 1 55 VAL MG2 6.300 . 6.300 4.578 4.056 5.064 . 0 0 "[ . 1 . 2]" 1
823 1 43 GLN H 1 56 GLN H 5.920 . 5.920 4.467 3.961 5.147 . 0 0 "[ . 1 . 2]" 1
824 1 43 GLN HA 1 44 LEU HB2 6.300 . 6.300 4.628 4.504 4.765 . 0 0 "[ . 1 . 2]" 1
825 1 43 GLN HA 1 44 LEU MD2 6.300 . 6.300 4.756 4.400 5.124 . 0 0 "[ . 1 . 2]" 1
826 1 43 GLN HA 1 44 LEU HG 6.300 . 6.300 4.259 3.924 4.549 . 0 0 "[ . 1 . 2]" 1
827 1 43 GLN HB2 1 44 LEU H 4.860 . 4.860 4.332 4.101 4.479 . 0 0 "[ . 1 . 2]" 1
828 1 43 GLN HB2 1 44 LEU HG 6.150 . 6.150 6.061 5.850 6.243 0.093 15 0 "[ . 1 . 2]" 1
829 1 43 GLN HB2 1 54 ARG HB2 5.500 . 5.500 1.856 1.652 2.297 . 0 0 "[ . 1 . 2]" 1
830 1 43 GLN HB2 1 54 ARG HB3 5.400 . 5.400 3.434 2.893 3.985 . 0 0 "[ . 1 . 2]" 1
831 1 43 GLN HB2 1 54 ARG QD 5.670 . 5.670 3.001 2.095 4.415 . 0 0 "[ . 1 . 2]" 1
832 1 43 GLN HB3 1 44 LEU H 5.060 . 5.060 3.601 3.275 3.958 . 0 0 "[ . 1 . 2]" 1
833 1 43 GLN HG2 1 44 LEU H 5.280 . 5.280 4.753 4.535 5.259 . 0 0 "[ . 1 . 2]" 1
834 1 43 GLN HG3 1 54 ARG HB3 6.300 . 6.300 4.476 3.889 5.109 . 0 0 "[ . 1 . 2]" 1
835 1 44 LEU H 1 44 LEU HB2 4.120 . 4.120 2.522 2.390 2.685 . 0 0 "[ . 1 . 2]" 1
836 1 44 LEU H 1 44 LEU MD1 5.680 . 5.680 4.064 3.801 4.297 . 0 0 "[ . 1 . 2]" 1
837 1 44 LEU H 1 44 LEU MD2 5.850 . 5.850 3.701 3.459 3.922 . 0 0 "[ . 1 . 2]" 1
838 1 44 LEU H 1 44 LEU HG 4.190 . 4.190 2.956 2.677 3.278 . 0 0 "[ . 1 . 2]" 1
839 1 44 LEU H 1 45 GLU H 6.000 . 6.000 4.333 3.874 4.602 . 0 0 "[ . 1 . 2]" 1
840 1 44 LEU HA 1 44 LEU MD2 4.320 . 4.320 2.025 1.948 2.112 . 0 0 "[ . 1 . 2]" 1
841 1 44 LEU HA 1 45 GLU H 3.610 . 3.610 2.207 2.119 2.336 . 0 0 "[ . 1 . 2]" 1
842 1 44 LEU HA 1 53 LEU HA 4.800 . 4.800 2.929 2.684 3.240 . 0 0 "[ . 1 . 2]" 1
843 1 44 LEU HB2 1 45 GLU H 5.660 . 5.660 4.274 3.923 4.599 . 0 0 "[ . 1 . 2]" 1
844 1 44 LEU HB3 1 45 GLU H 4.910 . 4.910 3.411 2.712 4.081 . 0 0 "[ . 1 . 2]" 1
845 1 44 LEU MD1 1 45 GLU H 5.990 . 5.990 5.124 4.493 5.654 . 0 0 "[ . 1 . 2]" 1
846 1 44 LEU MD1 1 53 LEU HB3 6.300 . 6.300 6.390 6.292 6.452 0.152 5 0 "[ . 1 . 2]" 1
847 1 44 LEU MD2 1 53 LEU HA 4.810 . 4.810 2.314 1.925 2.719 . 0 0 "[ . 1 . 2]" 1
848 1 44 LEU MD2 1 53 LEU HB3 5.250 . 5.250 3.973 3.851 4.161 . 0 0 "[ . 1 . 2]" 1
849 1 44 LEU MD2 1 54 ARG H 5.820 . 5.820 3.541 2.715 3.923 . 0 0 "[ . 1 . 2]" 1
850 1 45 GLU H 1 45 GLU HB2 4.340 . 4.340 2.825 2.354 3.242 . 0 0 "[ . 1 . 2]" 1
851 1 45 GLU H 1 45 GLU HG2 5.120 . 5.120 4.438 3.151 4.989 . 0 0 "[ . 1 . 2]" 1
852 1 45 GLU H 1 52 VAL H 4.880 . 4.880 3.115 2.559 3.688 . 0 0 "[ . 1 . 2]" 1
853 1 45 GLU H 1 52 VAL HB 5.740 . 5.740 3.298 2.432 4.622 . 0 0 "[ . 1 . 2]" 1
854 1 45 GLU H 1 52 VAL MG1 6.300 . 6.300 4.110 3.298 5.419 . 0 0 "[ . 1 . 2]" 1
855 1 45 GLU H 1 53 LEU HA 5.550 . 5.550 4.023 3.590 4.592 . 0 0 "[ . 1 . 2]" 1
856 1 45 GLU HB3 1 47 ALA H 5.460 . 5.460 5.302 4.901 5.530 0.070 20 0 "[ . 1 . 2]" 1
857 1 45 GLU HB3 1 47 ALA MB 5.100 . 5.100 4.758 3.741 5.215 0.115 17 0 "[ . 1 . 2]" 1
858 1 45 GLU HB3 1 50 ARG QG 4.980 . 4.980 4.936 4.112 5.106 0.126 11 0 "[ . 1 . 2]" 1
859 1 45 GLU HB3 1 52 VAL H 6.300 . 6.300 3.041 1.885 4.699 . 0 0 "[ . 1 . 2]" 1
860 1 45 GLU HB3 1 52 VAL MG1 6.090 . 6.090 3.853 2.930 5.711 . 0 0 "[ . 1 . 2]" 1
861 1 45 GLU HB3 1 52 VAL MG2 6.300 . 6.300 3.038 2.399 4.142 . 0 0 "[ . 1 . 2]" 1
862 1 45 GLU HG2 1 52 VAL MG2 6.300 . 6.300 4.095 2.806 4.984 . 0 0 "[ . 1 . 2]" 1
863 1 46 GLN H 1 47 ALA MB 6.080 . 6.080 4.736 4.051 5.156 . 0 0 "[ . 1 . 2]" 1
864 1 46 GLN HA 1 47 ALA H 3.740 . 3.740 2.166 2.108 2.227 . 0 0 "[ . 1 . 2]" 1
865 1 46 GLN HA 1 47 ALA MB 5.930 . 5.930 4.107 3.972 4.283 . 0 0 "[ . 1 . 2]" 1
866 1 46 GLN QB 1 47 ALA H 6.300 . 6.300 3.589 2.957 4.015 . 0 0 "[ . 1 . 2]" 1
867 1 46 GLN QB 1 51 GLN HE22 6.060 . 6.060 3.338 2.134 5.922 . 0 0 "[ . 1 . 2]" 1
868 1 46 GLN HG3 1 47 ALA H 5.780 . 5.780 4.751 3.528 5.740 . 0 0 "[ . 1 . 2]" 1
869 1 47 ALA H 1 51 GLN HE21 5.660 . 5.660 4.266 2.707 5.426 . 0 0 "[ . 1 . 2]" 1
870 1 47 ALA MB 1 50 ARG H 5.600 . 5.600 3.213 2.279 4.429 . 0 0 "[ . 1 . 2]" 1
871 1 47 ALA MB 1 50 ARG HB2 5.200 . 5.200 3.934 3.325 5.308 0.108 6 0 "[ . 1 . 2]" 1
872 1 47 ALA MB 1 50 ARG QD 5.840 . 5.840 3.992 2.539 5.567 . 0 0 "[ . 1 . 2]" 1
873 1 48 GLY HA2 1 50 ARG H 5.950 . 5.950 4.701 4.134 5.640 . 0 0 "[ . 1 . 2]" 1
874 1 49 ALA HA 1 50 ARG HB2 5.940 . 5.940 5.727 5.180 5.974 0.034 16 0 "[ . 1 . 2]" 1
875 1 49 ALA MB 1 50 ARG H 5.200 . 5.200 2.676 2.077 3.605 . 0 0 "[ . 1 . 2]" 1
876 1 50 ARG H 1 50 ARG HB2 4.280 . 4.280 2.806 2.597 3.334 . 0 0 "[ . 1 . 2]" 1
877 1 50 ARG HB2 1 52 VAL MG2 6.300 . 6.300 4.983 4.571 5.529 . 0 0 "[ . 1 . 2]" 1
878 1 50 ARG QD 1 52 VAL MG2 5.610 . 5.610 3.300 2.511 4.376 . 0 0 "[ . 1 . 2]" 1
879 1 50 ARG QG 1 51 GLN H 5.190 . 5.190 3.317 2.406 3.824 . 0 0 "[ . 1 . 2]" 1
880 1 51 GLN H 1 51 GLN HG2 5.330 . 5.330 2.712 2.218 3.368 . 0 0 "[ . 1 . 2]" 1
881 1 51 GLN H 1 52 VAL H 5.530 . 5.530 4.485 4.307 4.593 . 0 0 "[ . 1 . 2]" 1
882 1 51 GLN H 1 52 VAL MG2 5.380 . 5.380 4.190 3.694 4.435 . 0 0 "[ . 1 . 2]" 1
883 1 51 GLN HA 1 52 VAL H 3.590 . 3.590 2.263 2.173 2.367 . 0 0 "[ . 1 . 2]" 1
884 1 51 GLN HA 1 52 VAL HB 6.300 . 6.300 4.736 4.539 4.938 . 0 0 "[ . 1 . 2]" 1
885 1 51 GLN HA 1 52 VAL MG2 5.520 . 5.520 3.624 3.517 3.798 . 0 0 "[ . 1 . 2]" 1
886 1 51 GLN HB2 1 52 VAL H 5.240 . 5.240 4.089 3.802 4.373 . 0 0 "[ . 1 . 2]" 1
887 1 51 GLN HB3 1 52 VAL H 5.580 . 5.580 3.189 2.772 3.676 . 0 0 "[ . 1 . 2]" 1
888 1 51 GLN HB3 1 52 VAL MG2 6.300 . 6.300 5.043 4.911 5.256 . 0 0 "[ . 1 . 2]" 1
889 1 52 VAL H 1 52 VAL HB 4.110 . 4.110 2.805 2.633 2.993 . 0 0 "[ . 1 . 2]" 1
890 1 52 VAL HA 1 53 LEU H 3.410 . 3.410 2.157 2.120 2.213 . 0 0 "[ . 1 . 2]" 1
891 1 52 VAL HA 1 54 ARG HG3 5.860 . 5.860 5.058 4.724 5.867 0.007 9 0 "[ . 1 . 2]" 1
892 1 52 VAL HB 1 53 LEU H 5.190 . 5.190 4.365 4.159 4.446 . 0 0 "[ . 1 . 2]" 1
893 1 52 VAL MG1 1 53 LEU H 4.060 . 4.060 3.074 2.571 3.266 . 0 0 "[ . 1 . 2]" 1
894 1 52 VAL MG1 1 53 LEU HA 6.300 . 6.300 3.776 3.427 4.017 . 0 0 "[ . 1 . 2]" 1
895 1 52 VAL MG1 1 54 ARG H 6.300 . 6.300 3.758 3.410 4.141 . 0 0 "[ . 1 . 2]" 1
896 1 52 VAL MG1 1 54 ARG HB2 6.300 . 6.300 4.163 3.758 4.639 . 0 0 "[ . 1 . 2]" 1
897 1 52 VAL MG1 1 54 ARG HB3 6.120 . 6.120 4.549 4.283 4.990 . 0 0 "[ . 1 . 2]" 1
898 1 52 VAL MG1 1 54 ARG QD 6.230 . 6.230 2.768 1.841 3.690 . 0 0 "[ . 1 . 2]" 1
899 1 52 VAL MG1 1 54 ARG HG2 4.510 . 4.510 2.827 2.151 3.783 . 0 0 "[ . 1 . 2]" 1
900 1 52 VAL MG1 1 54 ARG HG3 5.720 . 5.720 2.110 1.842 2.945 . 0 0 "[ . 1 . 2]" 1
901 1 52 VAL MG2 1 53 LEU H 5.070 . 5.070 4.230 3.994 4.355 . 0 0 "[ . 1 . 2]" 1
902 1 53 LEU H 1 53 LEU HB2 4.210 . 4.210 3.007 2.818 3.149 . 0 0 "[ . 1 . 2]" 1
903 1 53 LEU HA 1 54 ARG H 3.420 . 3.420 2.174 2.133 2.255 . 0 0 "[ . 1 . 2]" 1
904 1 53 LEU HB3 1 54 ARG H 5.710 . 5.710 4.441 4.303 4.522 . 0 0 "[ . 1 . 2]" 1
905 1 53 LEU HB3 1 66 TYR QE 6.300 . 6.300 5.460 4.992 5.797 . 0 0 "[ . 1 . 2]" 1
906 1 53 LEU MD1 1 54 ARG H 5.690 . 5.690 3.576 3.204 3.879 . 0 0 "[ . 1 . 2]" 1
907 1 53 LEU MD1 1 54 ARG HA 6.300 . 6.300 3.309 2.941 3.505 . 0 0 "[ . 1 . 2]" 1
908 1 53 LEU MD1 1 54 ARG HB2 5.590 . 5.590 5.245 4.960 5.465 . 0 0 "[ . 1 . 2]" 1
909 1 53 LEU MD1 1 66 TYR QD 4.330 . 4.330 2.795 2.388 3.269 . 0 0 "[ . 1 . 2]" 1
910 1 53 LEU MD1 1 66 TYR QE 3.800 . 3.800 2.307 2.113 2.473 . 0 0 "[ . 1 . 2]" 1
911 1 53 LEU MD2 1 54 ARG H 4.660 . 4.660 2.331 1.936 2.557 . 0 0 "[ . 1 . 2]" 1
912 1 53 LEU MD2 1 54 ARG HA 5.500 . 5.500 3.891 3.712 4.249 . 0 0 "[ . 1 . 2]" 1
913 1 53 LEU MD2 1 55 VAL H 5.270 . 5.270 3.957 3.529 4.799 . 0 0 "[ . 1 . 2]" 1
914 1 53 LEU MD2 1 55 VAL HA 6.300 . 6.300 4.060 3.691 4.601 . 0 0 "[ . 1 . 2]" 1
915 1 53 LEU MD2 1 55 VAL HB 6.040 . 6.040 4.866 4.411 5.371 . 0 0 "[ . 1 . 2]" 1
916 1 53 LEU MD2 1 55 VAL MG2 3.960 . 3.960 2.553 2.138 2.949 . 0 0 "[ . 1 . 2]" 1
917 1 53 LEU MD2 1 66 TYR QD 5.850 . 5.850 4.068 3.434 4.624 . 0 0 "[ . 1 . 2]" 1
918 1 53 LEU MD2 1 66 TYR QE 5.740 . 5.740 3.631 3.230 3.985 . 0 0 "[ . 1 . 2]" 1
919 1 53 LEU HG 1 54 ARG H 6.020 . 6.020 4.971 4.643 5.179 . 0 0 "[ . 1 . 2]" 1
920 1 53 LEU HG 1 66 TYR HB3 5.990 . 5.990 4.353 3.676 5.020 . 0 0 "[ . 1 . 2]" 1
921 1 53 LEU HG 1 66 TYR QD 3.980 . 3.980 2.973 2.498 3.396 . 0 0 "[ . 1 . 2]" 1
922 1 53 LEU HG 1 66 TYR QE 5.590 . 5.590 3.716 2.981 4.157 . 0 0 "[ . 1 . 2]" 1
923 1 54 ARG H 1 54 ARG HB2 4.270 . 4.270 2.658 2.457 2.926 . 0 0 "[ . 1 . 2]" 1
924 1 54 ARG H 1 54 ARG HB3 4.000 . 4.000 3.776 3.669 3.878 . 0 0 "[ . 1 . 2]" 1
925 1 54 ARG H 1 54 ARG HG3 5.080 . 5.080 2.916 2.581 3.852 . 0 0 "[ . 1 . 2]" 1
926 1 54 ARG H 1 55 VAL H 5.390 . 5.390 4.227 4.011 4.519 . 0 0 "[ . 1 . 2]" 1
927 1 54 ARG H 1 55 VAL MG2 6.300 . 6.300 4.414 4.152 4.719 . 0 0 "[ . 1 . 2]" 1
928 1 54 ARG HA 1 55 VAL H 3.390 . 3.390 2.223 2.185 2.269 . 0 0 "[ . 1 . 2]" 1
929 1 54 ARG HA 1 55 VAL HB 6.300 . 6.300 4.804 4.708 4.952 . 0 0 "[ . 1 . 2]" 1
930 1 54 ARG HA 1 55 VAL MG2 5.990 . 5.990 3.968 3.778 4.116 . 0 0 "[ . 1 . 2]" 1
931 1 54 ARG HB2 1 55 VAL H 5.040 . 5.040 4.385 4.074 4.525 . 0 0 "[ . 1 . 2]" 1
932 1 54 ARG HB3 1 55 VAL H 4.970 . 4.970 3.683 3.100 3.912 . 0 0 "[ . 1 . 2]" 1
933 1 54 ARG HG2 1 55 VAL H 6.300 . 6.300 4.745 4.163 5.661 . 0 0 "[ . 1 . 2]" 1
934 1 55 VAL H 1 55 VAL HB 4.150 . 4.150 2.636 2.529 2.784 . 0 0 "[ . 1 . 2]" 1
935 1 55 VAL H 1 55 VAL MG2 4.510 . 4.510 2.566 2.342 2.946 . 0 0 "[ . 1 . 2]" 1
936 1 55 VAL HA 1 56 GLN H 3.300 . 3.300 2.196 2.110 2.260 . 0 0 "[ . 1 . 2]" 1
937 1 55 VAL HB 1 56 GLN H 5.310 . 5.310 4.450 4.305 4.571 . 0 0 "[ . 1 . 2]" 1
938 1 55 VAL HB 1 58 ALA MB 5.680 . 5.680 3.266 2.381 4.620 . 0 0 "[ . 1 . 2]" 1
939 1 55 VAL MG1 1 56 GLN H 4.130 . 4.130 3.314 2.924 3.565 . 0 0 "[ . 1 . 2]" 1
940 1 55 VAL MG1 1 58 ALA H 5.520 . 5.520 3.772 3.017 4.660 . 0 0 "[ . 1 . 2]" 1
941 1 55 VAL MG1 1 58 ALA HA 4.260 . 4.260 3.334 2.522 4.401 0.141 12 0 "[ . 1 . 2]" 1
942 1 55 VAL MG1 1 58 ALA MB 4.950 . 4.950 3.282 2.338 4.653 . 0 0 "[ . 1 . 2]" 1
943 1 55 VAL MG1 1 59 ARG H 6.300 . 6.300 4.825 4.141 5.328 . 0 0 "[ . 1 . 2]" 1
944 1 55 VAL MG1 1 62 ASP HB2 6.300 . 6.300 3.826 2.743 4.898 . 0 0 "[ . 1 . 2]" 1
945 1 55 VAL MG1 1 62 ASP HB3 6.070 . 6.070 3.512 1.800 5.129 . 0 0 "[ . 1 . 2]" 1
946 1 55 VAL MG2 1 66 TYR QE 5.720 . 5.720 2.582 2.124 3.104 . 0 0 "[ . 1 . 2]" 1
947 1 56 GLN H 1 56 GLN HB2 3.690 . 3.690 2.529 2.349 2.695 . 0 0 "[ . 1 . 2]" 1
948 1 56 GLN H 1 56 GLN HG2 5.090 . 5.090 4.173 3.328 4.506 . 0 0 "[ . 1 . 2]" 1
949 1 56 GLN H 1 56 GLN HG3 4.670 . 4.670 3.877 2.185 4.657 . 0 0 "[ . 1 . 2]" 1
950 1 56 GLN HA 1 57 GLY H 3.320 . 3.320 2.198 2.163 2.321 . 0 0 "[ . 1 . 2]" 1
951 1 56 GLN HA 1 57 GLY HA2 6.080 . 6.080 4.446 4.387 4.534 . 0 0 "[ . 1 . 2]" 1
952 1 56 GLN HA 1 57 GLY HA3 6.300 . 6.300 4.507 4.472 4.584 . 0 0 "[ . 1 . 2]" 1
953 1 56 GLN HA 1 58 ALA H 5.700 . 5.700 3.942 3.250 4.951 . 0 0 "[ . 1 . 2]" 1
954 1 56 GLN HB3 1 57 GLY H 4.640 . 4.640 4.001 2.909 4.483 . 0 0 "[ . 1 . 2]" 1
955 1 56 GLN HG2 1 57 GLY H 5.380 . 5.380 3.781 3.075 4.611 . 0 0 "[ . 1 . 2]" 1
956 1 57 GLY H 1 58 ALA H 4.220 . 4.220 2.443 1.764 3.565 . 0 0 "[ . 1 . 2]" 1
957 1 57 GLY H 1 58 ALA MB 5.630 . 5.630 3.932 3.217 4.377 . 0 0 "[ . 1 . 2]" 1
958 1 57 GLY HA2 1 58 ALA HA 6.140 . 6.140 4.797 4.597 5.391 . 0 0 "[ . 1 . 2]" 1
959 1 57 GLY HA2 1 58 ALA MB 6.300 . 6.300 4.532 4.299 4.798 . 0 0 "[ . 1 . 2]" 1
960 1 57 GLY HA3 1 58 ALA MB 6.300 . 6.300 4.950 4.378 5.097 . 0 0 "[ . 1 . 2]" 1
961 1 58 ALA H 1 58 ALA MB 3.410 . 3.410 2.314 2.218 2.877 . 0 0 "[ . 1 . 2]" 1
962 1 58 ALA H 1 59 ARG H 5.940 . 5.940 4.325 3.344 4.681 . 0 0 "[ . 1 . 2]" 1
963 1 58 ALA HA 1 59 ARG H 3.350 . 3.350 2.247 2.162 2.439 . 0 0 "[ . 1 . 2]" 1
964 1 58 ALA HA 1 59 ARG HA 6.290 . 6.290 4.484 4.363 4.619 . 0 0 "[ . 1 . 2]" 1
965 1 58 ALA HA 1 62 ASP HB2 6.300 . 6.300 2.675 2.177 3.926 . 0 0 "[ . 1 . 2]" 1
966 1 58 ALA MB 1 59 ARG H 4.250 . 4.250 3.382 2.550 3.741 . 0 0 "[ . 1 . 2]" 1
967 1 58 ALA MB 1 59 ARG HA 6.300 . 6.300 4.213 3.798 4.532 . 0 0 "[ . 1 . 2]" 1
968 1 58 ALA MB 1 59 ARG HB2 6.120 . 6.120 4.874 4.353 5.471 . 0 0 "[ . 1 . 2]" 1
969 1 58 ALA MB 1 59 ARG HB3 6.300 . 6.300 5.478 5.111 6.124 . 0 0 "[ . 1 . 2]" 1
970 1 58 ALA MB 1 62 ASP HB2 5.680 . 5.680 3.176 2.204 4.677 . 0 0 "[ . 1 . 2]" 1
971 1 58 ALA MB 1 62 ASP HB3 5.930 . 5.930 3.161 2.386 4.943 . 0 0 "[ . 1 . 2]" 1
972 1 58 ALA MB 1 81 VAL MG1 4.330 . 4.330 3.021 2.092 4.195 . 0 0 "[ . 1 . 2]" 1
973 1 58 ALA MB 1 81 VAL MG2 4.220 . 4.220 2.629 1.946 3.368 . 0 0 "[ . 1 . 2]" 1
974 1 59 ARG H 1 59 ARG HB3 4.000 . 4.000 3.147 2.529 3.748 . 0 0 "[ . 1 . 2]" 1
975 1 59 ARG H 1 62 ASP H 5.110 . 5.110 3.538 3.052 4.068 . 0 0 "[ . 1 . 2]" 1
976 1 59 ARG H 1 62 ASP HB2 4.420 . 4.420 2.824 2.006 4.662 0.242 6 0 "[ . 1 . 2]" 1
977 1 59 ARG H 1 62 ASP HB3 5.970 . 5.970 3.660 2.617 4.658 . 0 0 "[ . 1 . 2]" 1
978 1 59 ARG H 1 81 VAL MG1 5.510 . 5.510 3.562 2.683 4.715 . 0 0 "[ . 1 . 2]" 1
979 1 59 ARG H 1 81 VAL MG2 5.080 . 5.080 3.880 2.714 4.783 . 0 0 "[ . 1 . 2]" 1
980 1 59 ARG HA 1 59 ARG QD 4.750 . 4.750 3.778 2.099 4.325 . 0 0 "[ . 1 . 2]" 1
981 1 59 ARG HA 1 62 ASP H 5.710 . 5.710 5.298 4.240 5.977 0.267 6 0 "[ . 1 . 2]" 1
982 1 59 ARG HA 1 81 VAL MG1 5.260 . 5.260 2.531 1.928 3.529 . 0 0 "[ . 1 . 2]" 1
983 1 59 ARG HA 1 81 VAL MG2 6.300 . 6.300 4.235 3.158 5.169 . 0 0 "[ . 1 . 2]" 1
984 1 59 ARG HB3 1 62 ASP H 5.720 . 5.720 5.300 4.122 5.866 0.146 2 0 "[ . 1 . 2]" 1
985 1 59 ARG QG 1 81 VAL MG2 6.300 . 6.300 5.718 4.473 6.377 0.077 2 0 "[ . 1 . 2]" 1
986 1 62 ASP H 1 62 ASP HB2 3.910 . 3.910 2.621 2.430 3.639 . 0 0 "[ . 1 . 2]" 1
987 1 62 ASP H 1 63 ALA H 3.710 . 3.710 2.560 2.227 3.733 0.023 17 0 "[ . 1 . 2]" 1
988 1 62 ASP H 1 63 ALA MB 4.820 . 4.820 4.169 3.914 4.370 . 0 0 "[ . 1 . 2]" 1
989 1 62 ASP H 1 81 VAL MG1 6.000 . 6.000 4.843 3.791 5.570 . 0 0 "[ . 1 . 2]" 1
990 1 62 ASP H 1 81 VAL MG2 4.960 . 4.960 3.970 3.179 4.954 . 0 0 "[ . 1 . 2]" 1
991 1 62 ASP HB2 1 63 ALA H 5.170 . 5.170 3.644 2.818 4.556 . 0 0 "[ . 1 . 2]" 1
992 1 62 ASP HB2 1 81 VAL MG1 6.300 . 6.300 4.221 2.938 5.988 . 0 0 "[ . 1 . 2]" 1
993 1 62 ASP HB2 1 81 VAL MG2 5.030 . 5.030 3.051 2.015 4.153 . 0 0 "[ . 1 . 2]" 1
994 1 62 ASP HB3 1 63 ALA H 5.920 . 5.920 3.777 2.824 4.376 . 0 0 "[ . 1 . 2]" 1
995 1 62 ASP HB3 1 81 VAL MG2 5.150 . 5.150 2.997 1.852 4.620 . 0 0 "[ . 1 . 2]" 1
996 1 63 ALA H 1 63 ALA MB 3.350 . 3.350 2.298 2.224 2.844 . 0 0 "[ . 1 . 2]" 1
997 1 63 ALA H 1 64 GLY H 5.880 . 5.880 4.348 2.861 4.600 . 0 0 "[ . 1 . 2]" 1
998 1 63 ALA H 1 64 GLY HA3 5.190 . 5.190 5.240 3.839 5.397 0.207 5 0 "[ . 1 . 2]" 1
999 1 63 ALA H 1 79 VAL MG1 5.600 . 5.600 4.733 4.047 5.189 . 0 0 "[ . 1 . 2]" 1
1000 1 63 ALA H 1 81 VAL H 5.880 . 5.880 4.442 3.715 5.575 . 0 0 "[ . 1 . 2]" 1
1001 1 63 ALA H 1 81 VAL MG2 4.440 . 4.440 3.189 2.416 4.366 . 0 0 "[ . 1 . 2]" 1
1002 1 63 ALA HA 1 64 GLY H 3.460 . 3.460 2.204 2.153 2.440 . 0 0 "[ . 1 . 2]" 1
1003 1 63 ALA HA 1 64 GLY HA2 6.300 . 6.300 4.456 4.372 4.650 . 0 0 "[ . 1 . 2]" 1
1004 1 63 ALA HA 1 66 TYR QD 5.390 . 5.390 5.492 5.378 5.586 0.196 11 0 "[ . 1 . 2]" 1
1005 1 63 ALA HA 1 66 TYR QE 4.630 . 4.630 3.760 3.436 4.003 . 0 0 "[ . 1 . 2]" 1
1006 1 63 ALA HA 1 79 VAL HB 5.030 . 5.030 3.384 2.837 3.910 . 0 0 "[ . 1 . 2]" 1
1007 1 63 ALA HA 1 79 VAL MG1 4.450 . 4.450 2.579 1.960 3.057 . 0 0 "[ . 1 . 2]" 1
1008 1 63 ALA HA 1 80 SER QB 5.610 . 5.610 5.395 4.834 5.700 0.090 12 0 "[ . 1 . 2]" 1
1009 1 63 ALA HA 1 81 VAL MG2 4.990 . 4.990 2.522 2.140 2.886 . 0 0 "[ . 1 . 2]" 1
1010 1 63 ALA MB 1 64 GLY H 4.000 . 4.000 3.296 2.582 3.729 . 0 0 "[ . 1 . 2]" 1
1011 1 63 ALA MB 1 64 GLY HA3 5.460 . 5.460 4.574 4.114 4.864 . 0 0 "[ . 1 . 2]" 1
1012 1 63 ALA MB 1 79 VAL HB 6.200 . 6.200 4.646 4.223 5.114 . 0 0 "[ . 1 . 2]" 1
1013 1 63 ALA MB 1 79 VAL MG1 5.300 . 5.300 3.576 3.128 3.871 . 0 0 "[ . 1 . 2]" 1
1014 1 63 ALA MB 1 80 SER H 5.350 . 5.350 4.647 4.115 5.194 . 0 0 "[ . 1 . 2]" 1
1015 1 63 ALA MB 1 80 SER HA 4.390 . 4.390 2.432 1.879 2.980 . 0 0 "[ . 1 . 2]" 1
1016 1 63 ALA MB 1 80 SER QB 5.490 . 5.490 3.931 3.255 4.382 . 0 0 "[ . 1 . 2]" 1
1017 1 63 ALA MB 1 81 VAL H 4.040 . 4.040 1.830 1.507 2.208 . 0 0 "[ . 1 . 2]" 1
1018 1 63 ALA MB 1 81 VAL MG1 4.770 . 4.770 3.852 3.465 4.201 . 0 0 "[ . 1 . 2]" 1
1019 1 63 ALA MB 1 81 VAL MG2 4.420 . 4.420 2.352 1.857 2.989 . 0 0 "[ . 1 . 2]" 1
1020 1 64 GLY H 1 65 GLU H 5.380 . 5.380 4.399 4.230 4.500 . 0 0 "[ . 1 . 2]" 1
1021 1 64 GLY H 1 65 GLU HA 5.390 . 5.390 4.915 4.786 5.062 . 0 0 "[ . 1 . 2]" 1
1022 1 64 GLY H 1 66 TYR QD 5.460 . 5.460 3.979 3.733 4.486 . 0 0 "[ . 1 . 2]" 1
1023 1 64 GLY H 1 66 TYR QE 4.900 . 4.900 2.919 2.428 3.445 . 0 0 "[ . 1 . 2]" 1
1024 1 64 GLY H 1 79 VAL H 4.530 . 4.530 3.500 3.157 4.247 . 0 0 "[ . 1 . 2]" 1
1025 1 64 GLY H 1 79 VAL HB 4.750 . 4.750 2.476 1.965 3.001 . 0 0 "[ . 1 . 2]" 1
1026 1 64 GLY H 1 79 VAL MG1 4.760 . 4.760 3.258 2.715 3.708 . 0 0 "[ . 1 . 2]" 1
1027 1 64 GLY H 1 79 VAL MG2 5.390 . 5.390 4.095 3.670 4.510 . 0 0 "[ . 1 . 2]" 1
1028 1 64 GLY H 1 80 SER HA 5.620 . 5.620 4.461 3.828 5.187 . 0 0 "[ . 1 . 2]" 1
1029 1 64 GLY HA2 1 65 GLU H 3.640 . 3.640 2.644 2.517 2.884 . 0 0 "[ . 1 . 2]" 1
1030 1 64 GLY HA2 1 66 TYR QD 6.300 . 6.300 5.314 5.084 5.437 . 0 0 "[ . 1 . 2]" 1
1031 1 64 GLY HA2 1 66 TYR QE 4.980 . 4.980 5.014 4.772 5.127 0.147 4 0 "[ . 1 . 2]" 1
1032 1 64 GLY HA3 1 65 GLU HB2 6.000 . 6.000 4.951 4.706 5.173 . 0 0 "[ . 1 . 2]" 1
1033 1 64 GLY HA3 1 79 VAL H 5.880 . 5.880 5.149 4.913 5.475 . 0 0 "[ . 1 . 2]" 1
1034 1 64 GLY HA3 1 81 VAL MG2 6.300 . 6.300 6.296 5.730 6.450 0.150 7 0 "[ . 1 . 2]" 1
1035 1 65 GLU H 1 65 GLU HB2 3.910 . 3.910 2.521 2.385 2.734 . 0 0 "[ . 1 . 2]" 1
1036 1 65 GLU H 1 65 GLU HB3 4.030 . 4.030 3.657 3.615 3.695 . 0 0 "[ . 1 . 2]" 1
1037 1 65 GLU H 1 65 GLU HG2 4.870 . 4.870 3.945 3.532 4.198 . 0 0 "[ . 1 . 2]" 1
1038 1 65 GLU H 1 66 TYR H 5.320 . 5.320 4.374 4.280 4.512 . 0 0 "[ . 1 . 2]" 1
1039 1 65 GLU HA 1 66 TYR H 3.420 . 3.420 2.152 2.098 2.179 . 0 0 "[ . 1 . 2]" 1
1040 1 65 GLU HA 1 66 TYR QD 4.350 . 4.350 3.574 3.462 3.711 . 0 0 "[ . 1 . 2]" 1
1041 1 65 GLU HB2 1 66 TYR H 5.740 . 5.740 4.348 4.194 4.468 . 0 0 "[ . 1 . 2]" 1
1042 1 65 GLU HB2 1 76 ILE MG 5.960 . 5.960 3.925 3.475 4.369 . 0 0 "[ . 1 . 2]" 1
1043 1 65 GLU HB3 1 66 TYR H 5.250 . 5.250 3.586 3.364 3.733 . 0 0 "[ . 1 . 2]" 1
1044 1 65 GLU HB3 1 66 TYR QD 5.370 . 5.370 5.515 5.451 5.594 0.224 4 0 "[ . 1 . 2]" 1
1045 1 65 GLU HB3 1 76 ILE MG 5.300 . 5.300 2.462 2.000 2.883 . 0 0 "[ . 1 . 2]" 1
1046 1 65 GLU HB3 1 78 LEU MD2 4.540 . 4.540 3.666 2.951 4.054 . 0 0 "[ . 1 . 2]" 1
1047 1 65 GLU HG2 1 66 TYR H 5.720 . 5.720 5.383 4.498 5.694 . 0 0 "[ . 1 . 2]" 1
1048 1 65 GLU HG2 1 76 ILE MG 4.330 . 4.330 3.280 2.640 3.931 . 0 0 "[ . 1 . 2]" 1
1049 1 65 GLU HG2 1 78 LEU MD2 4.580 . 4.580 2.988 1.972 3.490 . 0 0 "[ . 1 . 2]" 1
1050 1 65 GLU HG2 1 78 LEU HG 6.300 . 6.300 5.595 4.395 6.293 . 0 0 "[ . 1 . 2]" 1
1051 1 65 GLU HG3 1 66 TYR H 6.250 . 6.250 4.704 4.291 5.219 . 0 0 "[ . 1 . 2]" 1
1052 1 65 GLU HG3 1 76 ILE MG 5.170 . 5.170 3.398 2.371 4.989 . 0 0 "[ . 1 . 2]" 1
1053 1 65 GLU HG3 1 78 LEU HG 6.300 . 6.300 4.933 4.296 6.296 . 0 0 "[ . 1 . 2]" 1
1054 1 66 TYR H 1 66 TYR HB2 4.370 . 4.370 2.475 2.409 2.538 . 0 0 "[ . 1 . 2]" 1
1055 1 66 TYR H 1 66 TYR QD 3.650 . 3.650 2.425 2.234 2.695 . 0 0 "[ . 1 . 2]" 1
1056 1 66 TYR H 1 67 LEU H 5.680 . 5.680 4.392 4.182 4.613 . 0 0 "[ . 1 . 2]" 1
1057 1 66 TYR H 1 77 PHE HB2 5.320 . 5.320 2.773 2.151 3.180 . 0 0 "[ . 1 . 2]" 1
1058 1 66 TYR H 1 78 LEU HA 5.760 . 5.760 4.233 3.845 4.489 . 0 0 "[ . 1 . 2]" 1
1059 1 66 TYR H 1 78 LEU MD2 6.300 . 6.300 4.590 4.140 5.138 . 0 0 "[ . 1 . 2]" 1
1060 1 66 TYR H 1 79 VAL H 5.800 . 5.800 3.969 3.529 4.249 . 0 0 "[ . 1 . 2]" 1
1061 1 66 TYR H 1 79 VAL MG1 6.300 . 6.300 5.780 5.190 6.256 . 0 0 "[ . 1 . 2]" 1
1062 1 66 TYR H 1 79 VAL MG2 5.090 . 5.090 3.542 3.114 3.934 . 0 0 "[ . 1 . 2]" 1
1063 1 66 TYR HA 1 66 TYR QD 4.300 . 4.300 3.170 3.105 3.225 . 0 0 "[ . 1 . 2]" 1
1064 1 66 TYR HA 1 67 LEU H 3.660 . 3.660 2.238 2.110 2.409 . 0 0 "[ . 1 . 2]" 1
1065 1 66 TYR HB2 1 77 PHE H 5.510 . 5.510 3.599 3.008 4.047 . 0 0 "[ . 1 . 2]" 1
1066 1 66 TYR HB2 1 77 PHE HB2 4.960 . 4.960 1.839 1.580 2.305 . 0 0 "[ . 1 . 2]" 1
1067 1 66 TYR HB2 1 77 PHE HB3 5.440 . 5.440 2.997 2.816 3.380 . 0 0 "[ . 1 . 2]" 1
1068 1 66 TYR HB2 1 77 PHE QD 4.460 . 4.460 3.703 3.151 4.242 . 0 0 "[ . 1 . 2]" 1
1069 1 66 TYR HB2 1 79 VAL MG2 6.040 . 6.040 3.216 2.940 3.601 . 0 0 "[ . 1 . 2]" 1
1070 1 66 TYR HB3 1 67 LEU H 5.120 . 5.120 3.353 2.586 3.779 . 0 0 "[ . 1 . 2]" 1
1071 1 66 TYR HB3 1 77 PHE HB2 5.380 . 5.380 3.282 3.031 3.624 . 0 0 "[ . 1 . 2]" 1
1072 1 66 TYR HB3 1 77 PHE QD 6.150 . 6.150 4.354 3.732 4.887 . 0 0 "[ . 1 . 2]" 1
1073 1 66 TYR HB3 1 79 VAL MG2 5.930 . 5.930 4.452 4.223 4.784 . 0 0 "[ . 1 . 2]" 1
1074 1 66 TYR QD 1 77 PHE HB2 5.310 . 5.310 3.585 3.187 4.130 . 0 0 "[ . 1 . 2]" 1
1075 1 66 TYR QD 1 79 VAL H 4.600 . 4.600 3.523 3.094 3.887 . 0 0 "[ . 1 . 2]" 1
1076 1 66 TYR QD 1 79 VAL HB 4.020 . 4.020 2.818 2.438 3.222 . 0 0 "[ . 1 . 2]" 1
1077 1 66 TYR QD 1 79 VAL MG1 6.300 . 6.300 3.953 3.494 4.252 . 0 0 "[ . 1 . 2]" 1
1078 1 66 TYR QD 1 79 VAL MG2 3.340 . 3.340 2.398 2.282 2.589 . 0 0 "[ . 1 . 2]" 1
1079 1 66 TYR QE 1 79 VAL H 5.120 . 5.120 4.471 3.955 4.940 . 0 0 "[ . 1 . 2]" 1
1080 1 66 TYR QE 1 79 VAL HA 5.440 . 5.440 5.399 5.223 5.541 0.101 10 0 "[ . 1 . 2]" 1
1081 1 66 TYR QE 1 79 VAL HB 3.440 . 3.440 2.476 2.252 2.721 . 0 0 "[ . 1 . 2]" 1
1082 1 66 TYR QE 1 79 VAL MG1 5.340 . 5.340 2.951 2.517 3.299 . 0 0 "[ . 1 . 2]" 1
1083 1 66 TYR QE 1 79 VAL MG2 3.510 . 3.510 3.022 2.593 3.318 . 0 0 "[ . 1 . 2]" 1
1084 1 67 LEU H 1 67 LEU HB2 4.180 . 4.180 2.930 2.688 3.315 . 0 0 "[ . 1 . 2]" 1
1085 1 67 LEU H 1 67 LEU MD2 5.690 . 5.690 4.441 4.259 4.749 . 0 0 "[ . 1 . 2]" 1
1086 1 67 LEU H 1 67 LEU HG 5.500 . 5.500 4.465 4.371 4.600 . 0 0 "[ . 1 . 2]" 1
1087 1 67 LEU H 1 68 CYS H 5.460 . 5.460 4.107 3.805 4.365 . 0 0 "[ . 1 . 2]" 1
1088 1 67 LEU HA 1 67 LEU MD1 4.460 . 4.460 2.203 2.135 2.289 . 0 0 "[ . 1 . 2]" 1
1089 1 67 LEU HA 1 76 ILE HA 4.510 . 4.510 2.491 2.289 2.821 . 0 0 "[ . 1 . 2]" 1
1090 1 67 LEU HA 1 76 ILE HG12 6.300 . 6.300 4.680 2.987 5.690 . 0 0 "[ . 1 . 2]" 1
1091 1 67 LEU HA 1 76 ILE HG13 5.620 . 5.620 4.031 3.255 5.654 0.034 12 0 "[ . 1 . 2]" 1
1092 1 67 LEU HA 1 76 ILE MG 6.060 . 6.060 3.946 3.470 4.359 . 0 0 "[ . 1 . 2]" 1
1093 1 67 LEU HA 1 77 PHE H 5.180 . 5.180 3.447 3.166 3.800 . 0 0 "[ . 1 . 2]" 1
1094 1 67 LEU HB3 1 68 CYS H 5.720 . 5.720 4.493 4.420 4.530 . 0 0 "[ . 1 . 2]" 1
1095 1 67 LEU MD1 1 68 CYS H 4.330 . 4.330 3.052 2.533 3.284 . 0 0 "[ . 1 . 2]" 1
1096 1 67 LEU MD1 1 69 ASP H 6.070 . 6.070 4.303 3.763 4.808 . 0 0 "[ . 1 . 2]" 1
1097 1 67 LEU MD1 1 69 ASP HA 5.890 . 5.890 3.526 3.101 4.246 . 0 0 "[ . 1 . 2]" 1
1098 1 67 LEU MD1 1 69 ASP HB3 5.840 . 5.840 4.936 4.412 5.550 . 0 0 "[ . 1 . 2]" 1
1099 1 67 LEU MD1 1 74 SER HB2 5.060 . 5.060 2.719 1.763 4.091 . 0 0 "[ . 1 . 2]" 1
1100 1 67 LEU MD1 1 74 SER HB3 5.030 . 5.030 3.173 1.911 3.835 . 0 0 "[ . 1 . 2]" 1
1101 1 67 LEU MD1 1 75 ARG H 4.920 . 4.920 3.266 2.647 3.989 . 0 0 "[ . 1 . 2]" 1
1102 1 67 LEU MD1 1 76 ILE HA 5.130 . 5.130 2.935 2.578 3.426 . 0 0 "[ . 1 . 2]" 1
1103 1 67 LEU MD1 1 76 ILE HG12 4.560 . 4.560 2.972 1.857 3.630 . 0 0 "[ . 1 . 2]" 1
1104 1 67 LEU MD2 1 69 ASP HA 6.300 . 6.300 4.256 3.363 4.978 . 0 0 "[ . 1 . 2]" 1
1105 1 67 LEU MD2 1 69 ASP HB2 6.300 . 6.300 2.982 2.543 3.602 . 0 0 "[ . 1 . 2]" 1
1106 1 67 LEU MD2 1 69 ASP HB3 4.890 . 4.890 4.287 3.614 4.939 0.049 10 0 "[ . 1 . 2]" 1
1107 1 67 LEU HG 1 68 CYS H 5.020 . 5.020 3.969 3.695 4.099 . 0 0 "[ . 1 . 2]" 1
1108 1 67 LEU HG 1 69 ASP H 5.700 . 5.700 3.379 3.066 3.911 . 0 0 "[ . 1 . 2]" 1
1109 1 67 LEU HG 1 69 ASP HB2 5.790 . 5.790 2.406 1.962 3.379 . 0 0 "[ . 1 . 2]" 1
1110 1 67 LEU HG 1 69 ASP HB3 5.110 . 5.110 3.882 3.251 4.683 . 0 0 "[ . 1 . 2]" 1
1111 1 67 LEU HG 1 75 ARG H 5.640 . 5.640 4.816 3.900 5.495 . 0 0 "[ . 1 . 2]" 1
1112 1 68 CYS H 1 75 ARG H 4.960 . 4.960 3.697 3.490 4.175 . 0 0 "[ . 1 . 2]" 1
1113 1 68 CYS H 1 75 ARG QB 6.150 . 6.150 3.751 3.143 4.222 . 0 0 "[ . 1 . 2]" 1
1114 1 68 CYS H 1 76 ILE HA 6.300 . 6.300 3.571 3.042 4.005 . 0 0 "[ . 1 . 2]" 1
1115 1 68 CYS H 1 77 PHE H 6.220 . 6.220 4.155 3.735 4.860 . 0 0 "[ . 1 . 2]" 1
1116 1 68 CYS H 1 77 PHE QD 5.310 . 5.310 3.032 2.647 3.441 . 0 0 "[ . 1 . 2]" 1
1117 1 68 CYS HB2 1 69 ASP H 6.300 . 6.300 4.569 4.511 4.624 . 0 0 "[ . 1 . 2]" 1
1118 1 68 CYS HB2 1 75 ARG QB 5.940 . 5.940 3.786 2.102 4.680 . 0 0 "[ . 1 . 2]" 1
1119 1 68 CYS HB3 1 75 ARG H 5.150 . 5.150 3.250 2.861 3.756 . 0 0 "[ . 1 . 2]" 1
1120 1 68 CYS HB3 1 75 ARG QB 5.320 . 5.320 2.637 1.948 3.729 . 0 0 "[ . 1 . 2]" 1
1121 1 69 ASP HB3 1 70 ALA H 5.890 . 5.890 4.377 2.399 4.575 . 0 0 "[ . 1 . 2]" 1
1122 1 70 ALA H 1 73 ASP H 6.300 . 6.300 4.465 3.573 6.317 0.017 19 0 "[ . 1 . 2]" 1
1123 1 70 ALA H 1 74 SER HA 5.370 . 5.370 2.364 1.744 4.677 . 0 0 "[ . 1 . 2]" 1
1124 1 70 ALA MB 1 71 PRO HD2 4.950 . 4.950 2.434 2.040 3.144 . 0 0 "[ . 1 . 2]" 1
1125 1 70 ALA MB 1 71 PRO HD3 4.600 . 4.600 3.334 2.857 3.775 . 0 0 "[ . 1 . 2]" 1
1126 1 70 ALA MB 1 72 GLN H 5.530 . 5.530 3.122 2.411 5.201 . 0 0 "[ . 1 . 2]" 1
1127 1 70 ALA MB 1 73 ASP H 5.200 . 5.200 2.779 2.148 4.307 . 0 0 "[ . 1 . 2]" 1
1128 1 70 ALA MB 1 73 ASP QB 5.050 . 5.050 3.290 1.697 4.383 . 0 0 "[ . 1 . 2]" 1
1129 1 71 PRO HG3 1 72 GLN H 5.960 . 5.960 4.774 3.968 5.781 . 0 0 "[ . 1 . 2]" 1
1130 1 72 GLN H 1 73 ASP H 4.490 . 4.490 2.723 2.042 4.104 . 0 0 "[ . 1 . 2]" 1
1131 1 72 GLN HB2 1 73 ASP H 6.070 . 6.070 3.756 2.454 4.687 . 0 0 "[ . 1 . 2]" 1
1132 1 72 GLN HB3 1 73 ASP H 6.030 . 6.030 3.300 2.014 4.538 . 0 0 "[ . 1 . 2]" 1
1133 1 72 GLN QG 1 73 ASP H 6.300 . 6.300 4.003 3.041 4.822 . 0 0 "[ . 1 . 2]" 1
1134 1 73 ASP H 1 74 SER H 6.300 . 6.300 3.924 2.517 4.567 . 0 0 "[ . 1 . 2]" 1
1135 1 73 ASP QB 1 74 SER H 5.490 . 5.490 3.479 1.929 4.093 . 0 0 "[ . 1 . 2]" 1
1136 1 74 SER HA 1 75 ARG H 3.730 . 3.730 2.235 2.146 2.598 . 0 0 "[ . 1 . 2]" 1
1137 1 74 SER HB2 1 75 ARG H 5.290 . 5.290 3.685 2.830 4.530 . 0 0 "[ . 1 . 2]" 1
1138 1 74 SER HB3 1 75 ARG H 5.040 . 5.040 4.034 3.083 4.392 . 0 0 "[ . 1 . 2]" 1
1139 1 75 ARG HA 1 75 ARG HD2 5.180 . 5.180 3.362 2.137 4.737 . 0 0 "[ . 1 . 2]" 1
1140 1 75 ARG HA 1 76 ILE H 3.600 . 3.600 2.199 2.115 2.301 . 0 0 "[ . 1 . 2]" 1
1141 1 75 ARG QB 1 76 ILE H 6.300 . 6.300 3.431 2.850 3.830 . 0 0 "[ . 1 . 2]" 1
1142 1 75 ARG QB 1 77 PHE QD 5.040 . 5.040 3.649 3.172 4.200 . 0 0 "[ . 1 . 2]" 1
1143 1 75 ARG QB 1 77 PHE QE 4.440 . 4.440 2.647 1.905 3.646 . 0 0 "[ . 1 . 2]" 1
1144 1 75 ARG QB 1 77 PHE HZ 5.330 . 5.330 4.333 3.575 5.388 0.058 10 0 "[ . 1 . 2]" 1
1145 1 75 ARG HD2 1 76 ILE H 5.880 . 5.880 4.807 3.334 5.867 . 0 0 "[ . 1 . 2]" 1
1146 1 76 ILE H 1 76 ILE HB 3.630 . 3.630 2.557 2.446 2.701 . 0 0 "[ . 1 . 2]" 1
1147 1 76 ILE H 1 76 ILE MD 5.190 . 5.190 2.809 2.039 3.926 . 0 0 "[ . 1 . 2]" 1
1148 1 76 ILE H 1 76 ILE HG12 5.400 . 5.400 3.930 2.725 4.283 . 0 0 "[ . 1 . 2]" 1
1149 1 76 ILE H 1 76 ILE HG13 5.250 . 5.250 3.283 2.337 4.064 . 0 0 "[ . 1 . 2]" 1
1150 1 76 ILE H 1 77 PHE H 5.900 . 5.900 4.494 4.390 4.570 . 0 0 "[ . 1 . 2]" 1
1151 1 76 ILE HA 1 77 PHE H 3.440 . 3.440 2.196 2.131 2.240 . 0 0 "[ . 1 . 2]" 1
1152 1 76 ILE HA 1 77 PHE QD 4.600 . 4.600 3.394 2.784 3.859 . 0 0 "[ . 1 . 2]" 1
1153 1 76 ILE HB 1 77 PHE H 5.320 . 5.320 4.180 3.873 4.384 . 0 0 "[ . 1 . 2]" 1
1154 1 76 ILE HG12 1 77 PHE H 6.090 . 6.090 5.023 4.325 5.506 . 0 0 "[ . 1 . 2]" 1
1155 1 76 ILE HG13 1 77 PHE H 6.300 . 6.300 4.708 4.198 5.354 . 0 0 "[ . 1 . 2]" 1
1156 1 76 ILE MG 1 77 PHE H 4.130 . 4.130 2.659 2.246 3.057 . 0 0 "[ . 1 . 2]" 1
1157 1 76 ILE MG 1 77 PHE HA 6.040 . 6.040 3.810 3.679 3.983 . 0 0 "[ . 1 . 2]" 1
1158 1 76 ILE MG 1 77 PHE QD 5.000 . 5.000 4.588 4.217 4.861 . 0 0 "[ . 1 . 2]" 1
1159 1 76 ILE MG 1 78 LEU H 5.010 . 5.010 3.642 3.207 4.323 . 0 0 "[ . 1 . 2]" 1
1160 1 77 PHE H 1 77 PHE QD 3.920 . 3.920 2.622 2.394 2.940 . 0 0 "[ . 1 . 2]" 1
1161 1 77 PHE H 1 78 LEU H 6.300 . 6.300 4.221 4.055 4.469 . 0 0 "[ . 1 . 2]" 1
1162 1 77 PHE HA 1 77 PHE QD 4.410 . 4.410 3.104 2.988 3.194 . 0 0 "[ . 1 . 2]" 1
1163 1 77 PHE HA 1 78 LEU H 3.500 . 3.500 2.201 2.153 2.264 . 0 0 "[ . 1 . 2]" 1
1164 1 77 PHE HA 1 78 LEU QB 6.230 . 6.230 4.493 4.407 4.604 . 0 0 "[ . 1 . 2]" 1
1165 1 77 PHE HA 1 78 LEU MD2 6.300 . 6.300 4.709 4.368 5.061 . 0 0 "[ . 1 . 2]" 1
1166 1 77 PHE HA 1 78 LEU HG 6.300 . 6.300 4.246 3.900 4.507 . 0 0 "[ . 1 . 2]" 1
1167 1 77 PHE HB2 1 79 VAL MG2 5.280 . 5.280 3.204 2.808 3.781 . 0 0 "[ . 1 . 2]" 1
1168 1 77 PHE HB3 1 78 LEU H 5.290 . 5.290 3.774 3.285 3.942 . 0 0 "[ . 1 . 2]" 1
1169 1 77 PHE HB3 1 78 LEU HA 6.300 . 6.300 4.792 4.247 5.022 . 0 0 "[ . 1 . 2]" 1
1170 1 77 PHE HB3 1 79 VAL MG2 5.010 . 5.010 2.257 1.675 2.904 . 0 0 "[ . 1 . 2]" 1
1171 1 77 PHE QD 1 78 LEU H 6.010 . 6.010 4.660 4.211 4.893 . 0 0 "[ . 1 . 2]" 1
1172 1 77 PHE QD 1 79 VAL MG2 5.180 . 5.180 3.297 2.346 4.008 . 0 0 "[ . 1 . 2]" 1
1173 1 78 LEU H 1 78 LEU QB 3.840 . 3.840 2.487 2.403 2.569 . 0 0 "[ . 1 . 2]" 1
1174 1 78 LEU H 1 78 LEU MD2 5.710 . 5.710 3.392 3.081 3.650 . 0 0 "[ . 1 . 2]" 1
1175 1 78 LEU H 1 78 LEU HG 4.860 . 4.860 2.500 2.296 3.003 . 0 0 "[ . 1 . 2]" 1
1176 1 78 LEU H 1 79 VAL H 5.470 . 5.470 4.127 4.012 4.398 . 0 0 "[ . 1 . 2]" 1
1177 1 78 LEU H 1 79 VAL MG2 6.260 . 6.260 4.212 3.835 4.536 . 0 0 "[ . 1 . 2]" 1
1178 1 78 LEU HA 1 78 LEU MD2 4.000 . 4.000 2.117 2.009 2.238 . 0 0 "[ . 1 . 2]" 1
1179 1 78 LEU HA 1 79 VAL H 3.370 . 3.370 2.221 2.173 2.275 . 0 0 "[ . 1 . 2]" 1
1180 1 78 LEU QB 1 79 VAL H 4.960 . 4.960 3.720 3.494 3.761 . 0 0 "[ . 1 . 2]" 1
1181 1 78 LEU MD2 1 79 VAL H 5.600 . 5.600 3.974 3.704 4.145 . 0 0 "[ . 1 . 2]" 1
1182 1 79 VAL H 1 79 VAL HB 3.870 . 3.870 2.502 2.417 2.651 . 0 0 "[ . 1 . 2]" 1
1183 1 79 VAL H 1 79 VAL MG2 4.110 . 4.110 2.533 2.384 2.666 . 0 0 "[ . 1 . 2]" 1
1184 1 79 VAL H 1 80 SER H 6.020 . 6.020 4.410 4.187 4.555 . 0 0 "[ . 1 . 2]" 1
1185 1 79 VAL HA 1 80 SER H 3.190 . 3.190 2.149 2.117 2.209 . 0 0 "[ . 1 . 2]" 1
1186 1 79 VAL HB 1 80 SER H 5.860 . 5.860 4.307 4.095 4.482 . 0 0 "[ . 1 . 2]" 1
1187 1 79 VAL MG1 1 80 SER H 4.080 . 4.080 2.885 2.496 3.355 . 0 0 "[ . 1 . 2]" 1
1188 1 79 VAL MG1 1 80 SER HA 5.540 . 5.540 3.690 3.347 4.090 . 0 0 "[ . 1 . 2]" 1
1189 1 79 VAL MG1 1 81 VAL H 5.750 . 5.750 3.579 3.182 3.956 . 0 0 "[ . 1 . 2]" 1
1190 1 79 VAL MG2 1 80 SER H 4.810 . 4.810 4.060 3.868 4.214 . 0 0 "[ . 1 . 2]" 1
1191 1 80 SER H 1 81 VAL H 5.740 . 5.740 4.182 3.998 4.366 . 0 0 "[ . 1 . 2]" 1
1192 1 80 SER H 1 81 VAL MG2 5.990 . 5.990 4.484 4.053 4.908 . 0 0 "[ . 1 . 2]" 1
1193 1 80 SER HA 1 81 VAL H 3.510 . 3.510 2.189 2.130 2.236 . 0 0 "[ . 1 . 2]" 1
1194 1 80 SER HA 1 81 VAL MG2 5.950 . 5.950 3.837 3.670 4.038 . 0 0 "[ . 1 . 2]" 1
1195 1 80 SER QB 1 81 VAL H 4.290 . 4.290 3.598 3.401 3.977 . 0 0 "[ . 1 . 2]" 1
1196 1 80 SER QB 1 82 GLU HB3 5.670 . 5.670 4.064 3.304 5.457 . 0 0 "[ . 1 . 2]" 1
1197 1 80 SER QB 1 82 GLU QG 5.150 . 5.150 2.933 2.323 3.645 . 0 0 "[ . 1 . 2]" 1
1198 1 81 VAL H 1 81 VAL HB 4.180 . 4.180 2.600 2.508 2.722 . 0 0 "[ . 1 . 2]" 1
1199 1 81 VAL H 1 81 VAL MG2 4.430 . 4.430 2.345 2.151 2.494 . 0 0 "[ . 1 . 2]" 1
1200 1 81 VAL H 1 82 GLU H 5.040 . 5.040 4.304 4.170 4.465 . 0 0 "[ . 1 . 2]" 1
1201 1 81 VAL H 1 82 GLU QG 5.590 . 5.590 4.317 3.668 4.820 . 0 0 "[ . 1 . 2]" 1
1202 1 81 VAL HA 1 82 GLU H 3.240 . 3.240 2.164 2.110 2.265 . 0 0 "[ . 1 . 2]" 1
1203 1 81 VAL MG1 1 82 GLU H 4.530 . 4.530 3.143 2.782 3.263 . 0 0 "[ . 1 . 2]" 1
1204 1 81 VAL MG1 1 82 GLU QG 6.300 . 6.300 4.820 4.583 4.971 . 0 0 "[ . 1 . 2]" 1
1205 1 81 VAL MG2 1 82 GLU H 5.270 . 5.270 4.277 4.151 4.407 . 0 0 "[ . 1 . 2]" 1
1206 1 82 GLU H 1 82 GLU HB3 4.280 . 4.280 3.534 3.341 3.815 . 0 0 "[ . 1 . 2]" 1
1207 1 82 GLU H 1 82 GLU QG 4.360 . 4.360 2.648 2.415 2.972 . 0 0 "[ . 1 . 2]" 1
1208 1 82 GLU H 1 83 GLU H 5.800 . 5.800 3.635 1.816 4.406 . 0 0 "[ . 1 . 2]" 1
1209 1 82 GLU HA 1 83 GLU H 3.590 . 3.590 2.867 2.503 3.573 . 0 0 "[ . 1 . 2]" 1
1210 1 82 GLU HB2 1 83 GLU H 4.380 . 4.380 2.709 1.902 4.454 0.074 11 0 "[ . 1 . 2]" 1
1211 1 82 GLU QG 1 83 GLU H 5.910 . 5.910 3.071 2.174 3.886 . 0 0 "[ . 1 . 2]" 1
1212 1 83 GLU H 1 83 GLU HB3 4.010 . 4.010 3.438 2.446 4.047 0.037 15 0 "[ . 1 . 2]" 1
1213 1 83 GLU H 1 83 GLU HG2 5.550 . 5.550 4.710 3.377 5.347 . 0 0 "[ . 1 . 2]" 1
1214 1 83 GLU HA 1 84 PRO QD 3.870 . 3.870 2.110 1.818 2.474 . 0 0 "[ . 1 . 2]" 1
1215 1 83 GLU HB2 1 84 PRO QD 5.190 . 5.190 4.292 4.157 4.444 . 0 0 "[ . 1 . 2]" 1
1216 1 83 GLU HB3 1 84 PRO QD 5.740 . 5.740 4.381 3.427 4.516 . 0 0 "[ . 1 . 2]" 1
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