NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426190 |
2h3j   |
7181 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2h3j
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 988
_Distance_constraint_stats_list.Viol_count 1590
_Distance_constraint_stats_list.Viol_total 2722.200
_Distance_constraint_stats_list.Viol_max 1.269
_Distance_constraint_stats_list.Viol_rms 0.0456
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0856
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.916 0.186 20 0 "[ . 1 . 2]"
1 6 PRO 0.819 0.124 18 0 "[ . 1 . 2]"
1 7 SER 2.343 0.322 18 0 "[ . 1 . 2]"
1 8 ARG 4.125 0.160 19 0 "[ . 1 . 2]"
1 9 SER 1.762 0.141 14 0 "[ . 1 . 2]"
1 10 TYR 1.493 0.126 18 0 "[ . 1 . 2]"
1 11 ARG 2.288 0.268 7 0 "[ . 1 . 2]"
1 12 ILE 5.556 0.268 7 0 "[ . 1 . 2]"
1 13 THR 1.061 0.201 6 0 "[ . 1 . 2]"
1 14 GLY 1.661 0.127 10 0 "[ . 1 . 2]"
1 15 TYR 0.690 0.066 17 0 "[ . 1 . 2]"
1 16 SER 5.032 0.194 11 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ILE 0.360 0.058 20 0 "[ . 1 . 2]"
1 20 SER 0.651 0.089 8 0 "[ . 1 . 2]"
1 22 GLY 0.868 0.110 5 0 "[ . 1 . 2]"
1 23 TYR 2.179 0.186 5 0 "[ . 1 . 2]"
1 24 ARG 6.207 0.345 13 0 "[ . 1 . 2]"
1 25 GLN 7.934 0.167 15 0 "[ . 1 . 2]"
1 26 ARG 2.041 0.147 6 0 "[ . 1 . 2]"
1 27 LEU 4.845 0.138 9 0 "[ . 1 . 2]"
1 28 PHE 5.340 0.282 10 0 "[ . 1 . 2]"
1 29 SER 2.993 0.133 18 0 "[ . 1 . 2]"
1 30 MET 4.553 0.133 18 0 "[ . 1 . 2]"
1 31 GLY 0.510 0.061 12 0 "[ . 1 . 2]"
1 32 LEU 0.593 0.069 20 0 "[ . 1 . 2]"
1 33 LEU 2.221 0.125 11 0 "[ . 1 . 2]"
1 34 PRO 0.253 0.063 5 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 4.702 0.351 6 0 "[ . 1 . 2]"
1 37 ALA 5.798 0.351 6 0 "[ . 1 . 2]"
1 38 LEU 3.371 0.153 18 0 "[ . 1 . 2]"
1 39 ARG 2.543 0.179 17 0 "[ . 1 . 2]"
1 40 VAL 4.395 0.189 19 0 "[ . 1 . 2]"
1 41 VAL 2.534 0.153 15 0 "[ . 1 . 2]"
1 42 ARG 2.730 0.189 19 0 "[ . 1 . 2]"
1 43 ILE 6.616 0.303 9 0 "[ . 1 . 2]"
1 44 ALA 1.129 0.097 5 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 2.648 0.196 15 0 "[ . 1 . 2]"
1 47 GLY 3.533 0.303 9 0 "[ . 1 . 2]"
1 48 ASP 31.443 1.269 15 20 [********-*****+*****]
1 49 PRO 30.115 1.269 15 20 [**********-***+*****]
1 50 ILE 6.298 0.285 14 0 "[ . 1 . 2]"
1 51 GLN 3.028 0.151 1 0 "[ . 1 . 2]"
1 52 VAL 4.276 0.153 15 0 "[ . 1 . 2]"
1 53 GLU 1.508 0.147 17 0 "[ . 1 . 2]"
1 54 THR 1.630 0.128 3 0 "[ . 1 . 2]"
1 55 ARG 0.502 0.084 8 0 "[ . 1 . 2]"
1 56 GLN 0.292 0.167 1 0 "[ . 1 . 2]"
1 57 THR 1.287 0.167 1 0 "[ . 1 . 2]"
1 58 SER 0.997 0.119 11 0 "[ . 1 . 2]"
1 59 LEU 3.906 0.186 2 0 "[ . 1 . 2]"
1 60 ALA 1.963 0.186 2 0 "[ . 1 . 2]"
1 61 LEU 5.437 0.275 6 0 "[ . 1 . 2]"
1 62 ARG 5.849 0.294 1 0 "[ . 1 . 2]"
1 63 ARG 6.512 0.294 1 0 "[ . 1 . 2]"
1 64 LYS 2.405 0.268 14 0 "[ . 1 . 2]"
1 65 ASP 2.168 0.137 19 0 "[ . 1 . 2]"
1 66 LEU 1.144 0.079 16 0 "[ . 1 . 2]"
1 67 ALA 1.026 0.062 8 0 "[ . 1 . 2]"
1 68 LEU 1.222 0.137 19 0 "[ . 1 . 2]"
1 69 LEU 0.492 0.079 16 0 "[ . 1 . 2]"
1 70 THR 6.277 0.170 10 0 "[ . 1 . 2]"
1 71 LEU 3.737 0.170 10 0 "[ . 1 . 2]"
1 72 VAL 1.999 0.172 11 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 4.274 0.144 5 0 "[ . 1 . 2]"
1 75 ASP 0.114 0.054 16 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 ALA HA 1 4 LEU H . . 3.110 2.292 2.136 2.749 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 4 LEU HA . . 2.900 2.806 2.240 2.939 0.039 4 0 "[ . 1 . 2]" 1
3 1 4 LEU H 1 4 LEU HB2 . . 3.860 2.976 2.310 3.996 0.136 8 0 "[ . 1 . 2]" 1
4 1 4 LEU H 1 4 LEU QB . . 3.540 2.700 2.283 3.346 . 0 0 "[ . 1 . 2]" 1
5 1 4 LEU H 1 4 LEU HB3 . . 3.860 3.442 2.417 3.989 0.129 16 0 "[ . 1 . 2]" 1
6 1 4 LEU H 1 4 LEU HG . . 4.480 3.517 2.277 4.666 0.186 20 0 "[ . 1 . 2]" 1
7 1 6 PRO HA 1 7 SER H . . 2.800 2.208 2.136 2.414 . 0 0 "[ . 1 . 2]" 1
8 1 6 PRO HA 1 40 VAL MG1 . . 4.640 2.761 1.810 3.345 . 0 0 "[ . 1 . 2]" 1
9 1 6 PRO HA 1 40 VAL QG . . 4.110 2.693 1.807 3.264 . 0 0 "[ . 1 . 2]" 1
10 1 6 PRO HA 1 40 VAL MG2 . . 4.640 4.271 2.695 4.698 0.058 2 0 "[ . 1 . 2]" 1
11 1 6 PRO HB2 1 7 SER H . . 3.860 3.577 2.543 3.984 0.124 18 0 "[ . 1 . 2]" 1
12 1 6 PRO HB3 1 7 SER H . . 4.230 3.792 3.126 4.254 0.024 13 0 "[ . 1 . 2]" 1
13 1 6 PRO HB3 1 40 VAL QG . . 7.590 3.781 2.292 4.702 . 0 0 "[ . 1 . 2]" 1
14 1 6 PRO QG 1 40 VAL QG . . 8.250 4.735 3.085 5.456 . 0 0 "[ . 1 . 2]" 1
15 1 7 SER H 1 7 SER HB2 . . 3.240 2.805 2.338 3.320 0.080 10 0 "[ . 1 . 2]" 1
16 1 7 SER H 1 7 SER HB3 . . 3.240 2.775 2.422 3.562 0.322 18 0 "[ . 1 . 2]" 1
17 1 7 SER H 1 8 ARG H . . 3.210 2.680 2.296 3.059 . 0 0 "[ . 1 . 2]" 1
18 1 7 SER H 1 40 VAL HB . . 4.630 4.566 3.831 4.747 0.117 19 0 "[ . 1 . 2]" 1
19 1 7 SER H 1 40 VAL MG1 . . 5.850 2.041 1.788 3.863 . 0 0 "[ . 1 . 2]" 1
20 1 7 SER H 1 40 VAL QG . . 5.460 2.020 1.785 3.700 . 0 0 "[ . 1 . 2]" 1
21 1 7 SER H 1 40 VAL MG2 . . 5.850 3.981 2.274 4.736 . 0 0 "[ . 1 . 2]" 1
22 1 7 SER QB 1 40 VAL QG . . 6.300 2.314 1.790 4.477 . 0 0 "[ . 1 . 2]" 1
23 1 7 SER HB2 1 40 VAL MG1 . . 7.970 3.246 2.085 5.738 . 0 0 "[ . 1 . 2]" 1
24 1 7 SER HB2 1 40 VAL MG2 . . 7.970 4.694 3.809 6.576 . 0 0 "[ . 1 . 2]" 1
25 1 7 SER HB3 1 40 VAL MG1 . . 7.970 2.628 1.815 5.228 . 0 0 "[ . 1 . 2]" 1
26 1 7 SER HB3 1 40 VAL MG2 . . 7.970 4.284 3.226 5.557 . 0 0 "[ . 1 . 2]" 1
27 1 8 ARG H 1 8 ARG HB2 . . 3.730 2.734 2.259 3.875 0.145 2 0 "[ . 1 . 2]" 1
28 1 8 ARG H 1 8 ARG QB . . 3.560 2.609 2.207 3.165 . 0 0 "[ . 1 . 2]" 1
29 1 8 ARG H 1 8 ARG HB3 . . 3.730 3.602 2.596 3.864 0.134 10 0 "[ . 1 . 2]" 1
30 1 8 ARG H 1 8 ARG HG2 . . 4.720 4.269 2.803 4.794 0.074 4 0 "[ . 1 . 2]" 1
31 1 8 ARG H 1 8 ARG QG . . 4.370 3.388 2.686 4.217 . 0 0 "[ . 1 . 2]" 1
32 1 8 ARG H 1 8 ARG HG3 . . 4.720 3.695 2.732 4.765 0.045 13 0 "[ . 1 . 2]" 1
33 1 8 ARG H 1 9 SER H . . 4.760 4.399 4.257 4.537 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG H 1 10 TYR QE . . 7.630 4.341 3.472 5.404 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG H 1 40 VAL HB . . 3.760 3.841 3.787 3.920 0.160 19 0 "[ . 1 . 2]" 1
36 1 8 ARG H 1 40 VAL MG1 . . 6.530 1.966 1.731 4.414 . 0 0 "[ . 1 . 2]" 1
37 1 8 ARG H 1 40 VAL QG . . 5.950 1.932 1.730 3.782 . 0 0 "[ . 1 . 2]" 1
38 1 8 ARG H 1 40 VAL MG2 . . 6.530 4.186 3.637 4.400 . 0 0 "[ . 1 . 2]" 1
39 1 8 ARG HA 1 8 ARG HD2 . . 5.500 4.259 1.871 4.812 . 0 0 "[ . 1 . 2]" 1
40 1 8 ARG HA 1 8 ARG HD3 . . 5.500 4.140 2.072 4.705 . 0 0 "[ . 1 . 2]" 1
41 1 8 ARG HA 1 9 SER H . . 2.590 2.389 2.206 2.627 0.037 10 0 "[ . 1 . 2]" 1
42 1 8 ARG QB 1 9 SER H . . 3.550 2.481 1.897 3.532 . 0 0 "[ . 1 . 2]" 1
43 1 8 ARG QB 1 10 TYR QD . . 7.280 4.248 3.539 5.082 . 0 0 "[ . 1 . 2]" 1
44 1 8 ARG QB 1 10 TYR QE . . 5.330 3.319 2.702 4.566 . 0 0 "[ . 1 . 2]" 1
45 1 8 ARG HB2 1 9 SER H . . 3.980 3.646 2.593 4.119 0.139 13 0 "[ . 1 . 2]" 1
46 1 8 ARG HB2 1 10 TYR QE . . 5.770 3.688 2.845 5.013 . 0 0 "[ . 1 . 2]" 1
47 1 8 ARG HB3 1 9 SER H . . 3.980 2.602 1.913 3.871 . 0 0 "[ . 1 . 2]" 1
48 1 8 ARG HB3 1 10 TYR QE . . 5.770 4.002 3.034 5.577 . 0 0 "[ . 1 . 2]" 1
49 1 8 ARG QG 1 9 SER H . . 4.340 3.408 2.306 4.083 . 0 0 "[ . 1 . 2]" 1
50 1 8 ARG HG2 1 9 SER H . . 4.510 3.748 2.574 4.626 0.116 18 0 "[ . 1 . 2]" 1
51 1 8 ARG HG3 1 9 SER H . . 4.510 4.170 2.323 4.651 0.141 14 0 "[ . 1 . 2]" 1
52 1 9 SER H 1 10 TYR H . . 4.570 4.435 4.313 4.612 0.042 20 0 "[ . 1 . 2]" 1
53 1 9 SER H 1 40 VAL QG . . 7.560 4.605 3.430 4.841 . 0 0 "[ . 1 . 2]" 1
54 1 9 SER H 1 74 LEU QB . . 6.380 3.858 2.887 4.900 . 0 0 "[ . 1 . 2]" 1
55 1 9 SER H 1 74 LEU QD . . 7.690 3.282 2.349 4.404 . 0 0 "[ . 1 . 2]" 1
56 1 9 SER HA 1 10 TYR H . . 2.770 2.219 2.162 2.475 . 0 0 "[ . 1 . 2]" 1
57 1 9 SER HA 1 10 TYR QD . . 6.590 3.614 3.129 4.100 . 0 0 "[ . 1 . 2]" 1
58 1 9 SER HA 1 39 ARG HA . . 2.770 2.248 1.763 2.858 0.088 2 0 "[ . 1 . 2]" 1
59 1 9 SER HA 1 40 VAL H . . 3.730 2.941 2.298 3.378 . 0 0 "[ . 1 . 2]" 1
60 1 9 SER QB 1 10 TYR H . . 4.520 3.063 2.460 3.625 . 0 0 "[ . 1 . 2]" 1
61 1 9 SER QB 1 74 LEU H . . 6.380 4.091 3.381 4.662 . 0 0 "[ . 1 . 2]" 1
62 1 9 SER QB 1 74 LEU HB2 . . 5.970 3.759 2.206 4.658 . 0 0 "[ . 1 . 2]" 1
63 1 9 SER QB 1 74 LEU QB . . 5.310 3.572 2.189 4.358 . 0 0 "[ . 1 . 2]" 1
64 1 9 SER QB 1 74 LEU HB3 . . 5.970 4.557 3.670 5.299 . 0 0 "[ . 1 . 2]" 1
65 1 9 SER QB 1 74 LEU QD . . 8.970 1.855 1.763 2.133 . 0 0 "[ . 1 . 2]" 1
66 1 10 TYR H 1 10 TYR HB2 . . 4.010 2.696 2.508 2.908 . 0 0 "[ . 1 . 2]" 1
67 1 10 TYR H 1 10 TYR QB . . 3.580 2.641 2.469 2.827 . 0 0 "[ . 1 . 2]" 1
68 1 10 TYR H 1 10 TYR HB3 . . 4.010 3.781 3.698 3.858 . 0 0 "[ . 1 . 2]" 1
69 1 10 TYR H 1 10 TYR QE . . 5.740 4.690 4.439 4.988 . 0 0 "[ . 1 . 2]" 1
70 1 10 TYR H 1 39 ARG HA . . 3.520 3.413 2.994 3.577 0.057 5 0 "[ . 1 . 2]" 1
71 1 10 TYR H 1 74 LEU QD . . 6.860 4.430 3.890 4.756 . 0 0 "[ . 1 . 2]" 1
72 1 10 TYR HA 1 11 ARG H . . 3.050 2.194 2.142 2.252 . 0 0 "[ . 1 . 2]" 1
73 1 10 TYR HA 1 73 PRO HA . . 2.830 1.973 1.698 2.293 . 0 0 "[ . 1 . 2]" 1
74 1 10 TYR HA 1 74 LEU H . . 3.050 3.096 2.803 3.176 0.126 18 0 "[ . 1 . 2]" 1
75 1 10 TYR QB 1 11 ARG H . . 3.740 3.052 2.752 3.193 . 0 0 "[ . 1 . 2]" 1
76 1 10 TYR QB 1 71 LEU HB2 . . 5.330 3.845 3.398 4.261 . 0 0 "[ . 1 . 2]" 1
77 1 10 TYR QB 1 71 LEU HB3 . . 4.190 2.517 2.149 2.845 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR QB 1 71 LEU MD2 . . 5.140 3.195 2.461 3.715 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR HB2 1 11 ARG H . . 4.140 4.026 3.732 4.163 0.023 1 0 "[ . 1 . 2]" 1
80 1 10 TYR HB2 1 71 LEU HB3 . . 4.720 3.522 3.216 4.075 . 0 0 "[ . 1 . 2]" 1
81 1 10 TYR HB2 1 71 LEU MD2 . . 5.320 3.590 2.620 4.187 . 0 0 "[ . 1 . 2]" 1
82 1 10 TYR HB3 1 11 ARG H . . 4.140 3.164 2.815 3.339 . 0 0 "[ . 1 . 2]" 1
83 1 10 TYR HB3 1 71 LEU HB3 . . 4.720 2.589 2.183 3.083 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR HB3 1 71 LEU MD2 . . 5.320 3.623 2.985 4.153 . 0 0 "[ . 1 . 2]" 1
85 1 10 TYR QD 1 11 ARG H . . 7.640 4.270 3.938 4.590 . 0 0 "[ . 1 . 2]" 1
86 1 10 TYR QD 1 40 VAL H . . 7.550 4.080 3.250 4.738 . 0 0 "[ . 1 . 2]" 1
87 1 10 TYR QD 1 40 VAL QG . . 8.150 3.905 2.194 4.580 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR QD 1 71 LEU HB3 . . 5.660 4.045 3.427 4.553 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR QD 1 72 VAL H . . 5.690 4.985 4.177 5.664 . 0 0 "[ . 1 . 2]" 1
90 1 10 TYR QD 1 72 VAL QG . . 9.580 5.032 4.463 5.616 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR QD 1 73 PRO HA . . 5.310 2.382 1.777 3.114 . 0 0 "[ . 1 . 2]" 1
92 1 10 TYR QD 1 73 PRO HG2 . . 7.480 4.249 3.695 5.196 . 0 0 "[ . 1 . 2]" 1
93 1 10 TYR QD 1 73 PRO QG . . 6.830 2.859 2.037 4.002 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR QD 1 73 PRO HG3 . . 7.480 2.940 2.047 4.249 . 0 0 "[ . 1 . 2]" 1
95 1 10 TYR QD 1 74 LEU H . . 7.640 4.345 3.562 4.997 . 0 0 "[ . 1 . 2]" 1
96 1 10 TYR QE 1 40 VAL H . . 6.700 4.134 3.251 4.977 . 0 0 "[ . 1 . 2]" 1
97 1 10 TYR QE 1 40 VAL QG . . 7.550 2.785 1.787 3.868 . 0 0 "[ . 1 . 2]" 1
98 1 10 TYR QE 1 73 PRO HA . . 6.300 4.099 3.462 5.025 . 0 0 "[ . 1 . 2]" 1
99 1 10 TYR QE 1 73 PRO HB3 . . 6.520 2.911 1.971 3.948 . 0 0 "[ . 1 . 2]" 1
100 1 10 TYR QE 1 73 PRO QG . . 6.750 2.941 2.007 4.655 . 0 0 "[ . 1 . 2]" 1
101 1 10 TYR QE 1 75 ASP H . . 7.420 6.211 4.937 7.281 . 0 0 "[ . 1 . 2]" 1
102 1 11 ARG H 1 11 ARG HB2 . . 3.730 3.053 2.374 3.745 0.015 11 0 "[ . 1 . 2]" 1
103 1 11 ARG H 1 11 ARG QB . . 3.520 2.661 2.344 2.945 . 0 0 "[ . 1 . 2]" 1
104 1 11 ARG H 1 11 ARG HB3 . . 3.730 3.359 2.622 3.700 . 0 0 "[ . 1 . 2]" 1
105 1 11 ARG H 1 11 ARG HG2 . . 5.340 2.816 1.821 3.845 . 0 0 "[ . 1 . 2]" 1
106 1 11 ARG H 1 11 ARG QG . . 4.680 2.288 1.795 2.906 . 0 0 "[ . 1 . 2]" 1
107 1 11 ARG H 1 11 ARG HG3 . . 5.340 2.849 2.141 3.956 . 0 0 "[ . 1 . 2]" 1
108 1 11 ARG H 1 71 LEU HB3 . . 5.130 4.539 4.168 5.056 . 0 0 "[ . 1 . 2]" 1
109 1 11 ARG H 1 72 VAL H . . 3.610 3.360 3.144 3.512 . 0 0 "[ . 1 . 2]" 1
110 1 11 ARG H 1 72 VAL QG . . 6.480 3.288 3.019 3.613 . 0 0 "[ . 1 . 2]" 1
111 1 11 ARG H 1 73 PRO HA . . 3.800 3.154 2.748 3.400 . 0 0 "[ . 1 . 2]" 1
112 1 11 ARG H 1 74 LEU H . . 4.170 4.149 3.879 4.262 0.092 11 0 "[ . 1 . 2]" 1
113 1 11 ARG H 1 74 LEU QD . . 6.980 3.745 3.026 4.294 . 0 0 "[ . 1 . 2]" 1
114 1 11 ARG H 1 74 LEU HG . . 4.760 4.311 3.320 4.781 0.021 6 0 "[ . 1 . 2]" 1
115 1 11 ARG HA 1 11 ARG HG2 . . 3.980 3.138 2.334 3.829 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG HA 1 11 ARG HG3 . . 3.980 3.513 3.055 3.897 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG HA 1 12 ILE H . . 2.680 2.276 2.213 2.326 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG HA 1 37 ALA MB . . 5.040 2.611 2.197 2.838 . 0 0 "[ . 1 . 2]" 1
119 1 11 ARG QB 1 12 ILE H . . 3.500 2.648 2.427 2.883 . 0 0 "[ . 1 . 2]" 1
120 1 11 ARG QB 1 72 VAL QG . . 7.280 2.859 1.852 3.800 . 0 0 "[ . 1 . 2]" 1
121 1 11 ARG QB 1 74 LEU QD . . 7.770 3.299 2.050 4.234 . 0 0 "[ . 1 . 2]" 1
122 1 11 ARG HB2 1 12 ILE H . . 3.700 3.281 2.504 3.802 0.102 2 0 "[ . 1 . 2]" 1
123 1 11 ARG HB2 1 72 VAL MG1 . . 9.090 5.568 4.315 6.836 . 0 0 "[ . 1 . 2]" 1
124 1 11 ARG HB2 1 72 VAL MG2 . . 9.090 3.047 1.866 4.380 . 0 0 "[ . 1 . 2]" 1
125 1 11 ARG HB3 1 12 ILE H . . 3.700 3.209 2.456 3.968 0.268 7 0 "[ . 1 . 2]" 1
126 1 11 ARG HB3 1 72 VAL MG1 . . 9.090 6.358 5.490 7.031 . 0 0 "[ . 1 . 2]" 1
127 1 11 ARG HB3 1 72 VAL MG2 . . 9.090 3.882 3.096 4.584 . 0 0 "[ . 1 . 2]" 1
128 1 11 ARG QD 1 12 ILE H . . 6.310 4.688 3.882 5.480 . 0 0 "[ . 1 . 2]" 1
129 1 11 ARG QD 1 72 VAL QG . . 8.960 3.239 2.381 4.505 . 0 0 "[ . 1 . 2]" 1
130 1 11 ARG QG 1 12 ILE H . . 4.800 3.965 2.962 4.562 . 0 0 "[ . 1 . 2]" 1
131 1 11 ARG HG2 1 12 ILE H . . 5.500 4.559 3.693 5.115 . 0 0 "[ . 1 . 2]" 1
132 1 11 ARG HG3 1 12 ILE H . . 5.500 4.569 3.052 5.286 . 0 0 "[ . 1 . 2]" 1
133 1 12 ILE H 1 12 ILE HB . . 2.930 2.652 2.592 2.716 . 0 0 "[ . 1 . 2]" 1
134 1 12 ILE H 1 12 ILE MD . . 5.350 3.762 3.665 3.938 . 0 0 "[ . 1 . 2]" 1
135 1 12 ILE H 1 12 ILE HG12 . . 3.800 3.504 3.367 3.677 . 0 0 "[ . 1 . 2]" 1
136 1 12 ILE H 1 12 ILE QG . . 3.590 2.285 2.131 2.527 . 0 0 "[ . 1 . 2]" 1
137 1 12 ILE H 1 12 ILE HG13 . . 3.800 2.316 2.155 2.575 . 0 0 "[ . 1 . 2]" 1
138 1 12 ILE H 1 12 ILE MG . . 4.640 3.836 3.810 3.873 . 0 0 "[ . 1 . 2]" 1
139 1 12 ILE H 1 13 THR H . . 5.500 4.331 4.216 4.418 . 0 0 "[ . 1 . 2]" 1
140 1 12 ILE H 1 37 ALA H . . 4.510 4.553 4.500 4.607 0.097 7 0 "[ . 1 . 2]" 1
141 1 12 ILE H 1 37 ALA HA . . 3.300 2.995 2.825 3.153 . 0 0 "[ . 1 . 2]" 1
142 1 12 ILE H 1 37 ALA MB . . 4.920 3.857 3.623 4.093 . 0 0 "[ . 1 . 2]" 1
143 1 12 ILE H 1 72 VAL H . . 5.500 4.916 4.736 5.066 . 0 0 "[ . 1 . 2]" 1
144 1 12 ILE HA 1 12 ILE QG . . 3.860 2.520 2.459 2.565 . 0 0 "[ . 1 . 2]" 1
145 1 12 ILE HA 1 13 THR H . . 2.650 2.162 2.135 2.180 . 0 0 "[ . 1 . 2]" 1
146 1 12 ILE HA 1 14 GLY H . . 3.860 3.489 3.409 3.596 . 0 0 "[ . 1 . 2]" 1
147 1 12 ILE HA 1 71 LEU HA . . 2.430 2.453 2.169 2.518 0.088 16 0 "[ . 1 . 2]" 1
148 1 12 ILE HA 1 71 LEU MD2 . . 4.880 2.253 1.909 3.741 . 0 0 "[ . 1 . 2]" 1
149 1 12 ILE HA 1 72 VAL H . . 3.450 3.523 3.395 3.622 0.172 11 0 "[ . 1 . 2]" 1
150 1 12 ILE HB 1 13 THR H . . 4.540 4.251 4.166 4.348 . 0 0 "[ . 1 . 2]" 1
151 1 12 ILE HB 1 14 GLY H . . 4.320 4.318 4.115 4.366 0.046 9 0 "[ . 1 . 2]" 1
152 1 12 ILE HB 1 35 GLY H . . 3.640 2.854 2.500 3.254 . 0 0 "[ . 1 . 2]" 1
153 1 12 ILE HB 1 36 ALA H . . 3.550 2.773 2.383 3.065 . 0 0 "[ . 1 . 2]" 1
154 1 12 ILE HB 1 71 LEU HA . . 5.500 5.454 5.172 5.517 0.017 16 0 "[ . 1 . 2]" 1
155 1 12 ILE MD 1 13 THR H . . 6.190 5.352 5.305 5.447 . 0 0 "[ . 1 . 2]" 1
156 1 12 ILE MD 1 32 LEU HA . . 4.570 2.865 2.343 3.454 . 0 0 "[ . 1 . 2]" 1
157 1 12 ILE MD 1 33 LEU H . . 5.130 2.788 2.416 3.385 . 0 0 "[ . 1 . 2]" 1
158 1 12 ILE MD 1 34 PRO HA . . 5.630 4.205 3.764 4.685 . 0 0 "[ . 1 . 2]" 1
159 1 12 ILE MD 1 35 GLY H . . 6.000 4.612 4.256 5.011 . 0 0 "[ . 1 . 2]" 1
160 1 12 ILE MD 1 36 ALA H . . 4.570 3.479 3.154 3.840 . 0 0 "[ . 1 . 2]" 1
161 1 12 ILE QG 1 14 GLY H . . 6.220 4.941 4.795 5.098 . 0 0 "[ . 1 . 2]" 1
162 1 12 ILE QG 1 34 PRO HA . . 5.850 4.705 4.412 5.096 . 0 0 "[ . 1 . 2]" 1
163 1 12 ILE QG 1 37 ALA MB . . 4.620 4.444 4.116 4.743 0.123 17 0 "[ . 1 . 2]" 1
164 1 12 ILE HG12 1 13 THR H . . 5.500 4.716 4.621 4.785 . 0 0 "[ . 1 . 2]" 1
165 1 12 ILE HG13 1 13 THR H . . 5.500 5.203 5.150 5.237 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE MG 1 13 THR H . . 3.990 2.993 2.895 3.174 . 0 0 "[ . 1 . 2]" 1
167 1 12 ILE MG 1 14 GLY H . . 3.580 2.190 1.975 2.278 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE MG 1 34 PRO HA . . 4.790 2.460 2.208 2.817 . 0 0 "[ . 1 . 2]" 1
169 1 12 ILE MG 1 35 GLY H . . 4.760 3.722 3.326 4.049 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE MG 1 36 ALA H . . 6.530 4.160 3.827 4.389 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE MG 1 69 LEU HB3 . . 6.530 2.833 2.340 3.540 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE MG 1 70 THR H . . 5.130 3.423 3.207 3.870 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE MG 1 70 THR HB . . 4.760 4.178 3.874 4.713 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE MG 1 71 LEU H . . 6.530 5.052 4.834 5.242 . 0 0 "[ . 1 . 2]" 1
175 1 12 ILE MG 1 71 LEU HA . . 5.470 3.735 3.478 3.903 . 0 0 "[ . 1 . 2]" 1
176 1 12 ILE MG 1 72 VAL H . . 6.530 5.164 5.091 5.262 . 0 0 "[ . 1 . 2]" 1
177 1 13 THR H 1 13 THR HB . . 3.860 3.195 2.512 3.636 . 0 0 "[ . 1 . 2]" 1
178 1 13 THR H 1 13 THR MG . . 3.990 2.937 1.989 3.783 . 0 0 "[ . 1 . 2]" 1
179 1 13 THR H 1 14 GLY H . . 2.800 2.324 2.182 2.508 . 0 0 "[ . 1 . 2]" 1
180 1 13 THR H 1 70 THR H . . 5.280 4.785 4.634 5.057 . 0 0 "[ . 1 . 2]" 1
181 1 13 THR H 1 70 THR HB . . 4.790 3.713 3.407 4.164 . 0 0 "[ . 1 . 2]" 1
182 1 13 THR H 1 70 THR MG . . 5.440 3.829 3.604 4.320 . 0 0 "[ . 1 . 2]" 1
183 1 13 THR H 1 71 LEU HA . . 3.110 2.860 2.204 3.156 0.046 15 0 "[ . 1 . 2]" 1
184 1 13 THR H 1 72 VAL H . . 4.480 3.566 3.142 3.809 . 0 0 "[ . 1 . 2]" 1
185 1 13 THR HA 1 13 THR HB . . 2.800 2.678 2.445 3.001 0.201 6 0 "[ . 1 . 2]" 1
186 1 13 THR HB 1 14 GLY H . . 4.510 3.677 2.729 4.290 . 0 0 "[ . 1 . 2]" 1
187 1 13 THR MG 1 14 GLY H . . 5.630 3.886 2.618 4.332 . 0 0 "[ . 1 . 2]" 1
188 1 13 THR MG 1 72 VAL H . . 5.780 4.101 3.375 5.568 . 0 0 "[ . 1 . 2]" 1
189 1 13 THR MG 1 72 VAL HB . . 5.720 4.520 3.886 5.728 0.008 6 0 "[ . 1 . 2]" 1
190 1 14 GLY H 1 15 TYR H . . 4.820 4.320 4.247 4.383 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLY H 1 34 PRO HA . . 3.730 3.704 3.520 3.793 0.063 5 0 "[ . 1 . 2]" 1
192 1 14 GLY H 1 70 THR H . . 3.490 3.530 3.368 3.617 0.127 10 0 "[ . 1 . 2]" 1
193 1 14 GLY H 1 70 THR HB . . 3.550 2.849 2.585 3.498 . 0 0 "[ . 1 . 2]" 1
194 1 14 GLY H 1 70 THR MG . . 5.630 4.088 3.860 4.640 . 0 0 "[ . 1 . 2]" 1
195 1 14 GLY HA2 1 15 TYR H . . 3.110 2.865 2.687 3.030 . 0 0 "[ . 1 . 2]" 1
196 1 14 GLY HA2 1 34 PRO QB . . 5.730 2.148 1.776 2.869 . 0 0 "[ . 1 . 2]" 1
197 1 14 GLY HA2 1 34 PRO HG2 . . 4.820 3.827 2.938 4.719 . 0 0 "[ . 1 . 2]" 1
198 1 14 GLY HA3 1 15 TYR H . . 2.930 2.290 2.189 2.455 . 0 0 "[ . 1 . 2]" 1
199 1 15 TYR H 1 15 TYR HB2 . . 3.860 2.622 2.517 2.760 . 0 0 "[ . 1 . 2]" 1
200 1 15 TYR H 1 15 TYR QB . . 3.480 2.572 2.476 2.698 . 0 0 "[ . 1 . 2]" 1
201 1 15 TYR H 1 15 TYR HB3 . . 3.860 3.735 3.674 3.801 . 0 0 "[ . 1 . 2]" 1
202 1 15 TYR H 1 16 SER H . . 4.540 4.495 4.437 4.551 0.011 1 0 "[ . 1 . 2]" 1
203 1 15 TYR H 1 69 LEU QD . . 8.100 4.965 4.501 5.301 . 0 0 "[ . 1 . 2]" 1
204 1 15 TYR HA 1 16 SER H . . 2.770 2.308 2.243 2.393 . 0 0 "[ . 1 . 2]" 1
205 1 15 TYR HA 1 19 ILE MG . . 6.190 4.414 3.741 5.411 . 0 0 "[ . 1 . 2]" 1
206 1 15 TYR HA 1 27 LEU MD1 . . 5.470 4.700 4.170 5.234 . 0 0 "[ . 1 . 2]" 1
207 1 15 TYR HA 1 69 LEU HA . . 2.680 2.335 2.053 2.679 . 0 0 "[ . 1 . 2]" 1
208 1 15 TYR HA 1 70 THR H . . 3.170 2.483 2.191 2.908 . 0 0 "[ . 1 . 2]" 1
209 1 15 TYR QB 1 16 SER H . . 3.350 2.627 2.462 2.721 . 0 0 "[ . 1 . 2]" 1
210 1 15 TYR QB 1 19 ILE HB . . 5.760 3.271 2.865 3.885 . 0 0 "[ . 1 . 2]" 1
211 1 15 TYR QB 1 19 ILE MD . . 5.220 2.533 2.074 3.171 . 0 0 "[ . 1 . 2]" 1
212 1 15 TYR QB 1 19 ILE MG . . 4.930 2.205 1.759 3.144 . 0 0 "[ . 1 . 2]" 1
213 1 15 TYR QB 1 23 TYR QD . . 7.680 6.457 5.250 7.695 0.015 16 0 "[ . 1 . 2]" 1
214 1 15 TYR QB 1 69 LEU QD . . 7.990 3.629 3.205 3.990 . 0 0 "[ . 1 . 2]" 1
215 1 15 TYR HB2 1 16 SER H . . 3.700 3.714 3.574 3.766 0.066 17 0 "[ . 1 . 2]" 1
216 1 15 TYR HB2 1 19 ILE MD . . 5.570 3.647 3.123 4.465 . 0 0 "[ . 1 . 2]" 1
217 1 15 TYR HB2 1 19 ILE MG . . 5.130 2.782 1.971 3.643 . 0 0 "[ . 1 . 2]" 1
218 1 15 TYR HB3 1 16 SER H . . 3.700 2.687 2.507 2.797 . 0 0 "[ . 1 . 2]" 1
219 1 15 TYR HB3 1 19 ILE MD . . 5.570 2.586 2.106 3.244 . 0 0 "[ . 1 . 2]" 1
220 1 15 TYR HB3 1 19 ILE MG . . 5.130 2.351 1.793 3.436 . 0 0 "[ . 1 . 2]" 1
221 1 15 TYR QD 1 16 SER H . . 7.640 4.032 3.789 4.284 . 0 0 "[ . 1 . 2]" 1
222 1 15 TYR QD 1 19 ILE HB . . 6.310 4.588 4.140 5.054 . 0 0 "[ . 1 . 2]" 1
223 1 15 TYR QD 1 19 ILE MD . . 6.160 2.524 2.158 2.853 . 0 0 "[ . 1 . 2]" 1
224 1 15 TYR QD 1 19 ILE MG . . 8.670 3.559 2.860 4.477 . 0 0 "[ . 1 . 2]" 1
225 1 15 TYR QD 1 24 ARG QG . . 8.150 3.088 2.768 3.564 . 0 0 "[ . 1 . 2]" 1
226 1 15 TYR QD 1 27 LEU HB3 . . 6.400 4.285 3.786 5.009 . 0 0 "[ . 1 . 2]" 1
227 1 15 TYR QD 1 27 LEU MD1 . . 6.000 2.353 1.985 2.999 . 0 0 "[ . 1 . 2]" 1
228 1 15 TYR QD 1 27 LEU MD2 . . 7.640 4.758 4.272 5.503 . 0 0 "[ . 1 . 2]" 1
229 1 15 TYR QD 1 68 LEU MD1 . . 8.670 5.391 4.948 6.125 . 0 0 "[ . 1 . 2]" 1
230 1 15 TYR QD 1 69 LEU QD . . 8.780 2.240 1.900 2.499 . 0 0 "[ . 1 . 2]" 1
231 1 15 TYR QE 1 19 ILE MD . . 6.640 3.719 3.291 4.225 . 0 0 "[ . 1 . 2]" 1
232 1 15 TYR QE 1 24 ARG HA . . 7.630 3.384 3.022 3.819 . 0 0 "[ . 1 . 2]" 1
233 1 15 TYR QE 1 24 ARG QD . . 7.990 3.551 2.532 4.477 . 0 0 "[ . 1 . 2]" 1
234 1 15 TYR QE 1 24 ARG QG . . 8.510 2.971 2.536 3.404 . 0 0 "[ . 1 . 2]" 1
235 1 15 TYR QE 1 27 LEU HB2 . . 5.150 2.343 1.822 2.838 . 0 0 "[ . 1 . 2]" 1
236 1 15 TYR QE 1 27 LEU HB3 . . 5.400 2.477 2.111 2.922 . 0 0 "[ . 1 . 2]" 1
237 1 15 TYR QE 1 27 LEU MD1 . . 5.650 2.431 2.019 2.979 . 0 0 "[ . 1 . 2]" 1
238 1 15 TYR QE 1 27 LEU MD2 . . 6.550 4.098 3.814 4.682 . 0 0 "[ . 1 . 2]" 1
239 1 15 TYR QE 1 28 PHE H . . 7.630 4.033 3.535 4.835 . 0 0 "[ . 1 . 2]" 1
240 1 15 TYR QE 1 34 PRO HA . . 6.950 5.571 4.836 5.915 . 0 0 "[ . 1 . 2]" 1
241 1 15 TYR QE 1 34 PRO QD . . 8.450 2.297 1.900 2.509 . 0 0 "[ . 1 . 2]" 1
242 1 15 TYR QE 1 34 PRO HG2 . . 7.480 3.704 2.988 4.390 . 0 0 "[ . 1 . 2]" 1
243 1 15 TYR QE 1 69 LEU QD . . 8.620 2.676 2.371 2.990 . 0 0 "[ . 1 . 2]" 1
244 1 16 SER H 1 16 SER HB2 . . 3.360 2.601 2.406 3.545 0.185 1 0 "[ . 1 . 2]" 1
245 1 16 SER H 1 16 SER QB . . 3.070 2.365 2.225 2.511 . 0 0 "[ . 1 . 2]" 1
246 1 16 SER H 1 16 SER HB3 . . 3.360 3.042 2.425 3.554 0.194 11 0 "[ . 1 . 2]" 1
247 1 16 SER H 1 19 ILE HB . . 3.980 3.752 3.094 4.038 0.058 20 0 "[ . 1 . 2]" 1
248 1 16 SER H 1 19 ILE MD . . 5.190 3.996 3.203 4.515 . 0 0 "[ . 1 . 2]" 1
249 1 16 SER H 1 19 ILE MG . . 5.600 3.808 2.943 4.648 . 0 0 "[ . 1 . 2]" 1
250 1 16 SER H 1 68 LEU HA . . 3.550 3.498 3.127 3.621 0.071 1 0 "[ . 1 . 2]" 1
251 1 16 SER H 1 68 LEU HB3 . . 5.030 4.325 3.924 4.652 . 0 0 "[ . 1 . 2]" 1
252 1 16 SER H 1 69 LEU HA . . 3.730 3.023 2.615 3.334 . 0 0 "[ . 1 . 2]" 1
253 1 16 SER H 1 69 LEU QD . . 6.300 4.049 3.675 4.385 . 0 0 "[ . 1 . 2]" 1
254 1 16 SER H 1 70 THR H . . 3.490 3.562 3.498 3.623 0.133 8 0 "[ . 1 . 2]" 1
255 1 16 SER HA 1 16 SER QB . . 2.710 2.340 2.188 2.382 . 0 0 "[ . 1 . 2]" 1
256 1 16 SER HA 1 17 PRO QD . . 3.560 1.912 1.790 2.124 . 0 0 "[ . 1 . 2]" 1
257 1 16 SER QB 1 19 ILE H . . 4.920 3.686 3.109 4.934 0.014 12 0 "[ . 1 . 2]" 1
258 1 16 SER QB 1 19 ILE HB . . 6.220 3.435 2.147 4.696 . 0 0 "[ . 1 . 2]" 1
259 1 16 SER QB 1 68 LEU MD2 . . 5.920 3.383 2.620 4.793 . 0 0 "[ . 1 . 2]" 1
260 1 17 PRO QB 1 18 ALA H . . 4.360 3.348 2.788 3.812 . 0 0 "[ . 1 . 2]" 1
261 1 18 ALA H 1 19 ILE H . . 3.300 2.446 2.086 2.822 . 0 0 "[ . 1 . 2]" 1
262 1 19 ILE H 1 19 ILE HB . . 3.140 2.618 2.499 2.800 . 0 0 "[ . 1 . 2]" 1
263 1 19 ILE H 1 19 ILE HG12 . . 5.130 4.524 4.469 4.577 . 0 0 "[ . 1 . 2]" 1
264 1 19 ILE H 1 19 ILE QG . . 4.670 4.007 3.978 4.052 . 0 0 "[ . 1 . 2]" 1
265 1 19 ILE H 1 19 ILE HG13 . . 5.130 4.476 4.404 4.576 . 0 0 "[ . 1 . 2]" 1
266 1 19 ILE H 1 19 ILE MG . . 4.020 2.128 1.995 2.281 . 0 0 "[ . 1 . 2]" 1
267 1 19 ILE H 1 20 SER H . . 4.630 4.582 4.451 4.651 0.021 4 0 "[ . 1 . 2]" 1
268 1 19 ILE HA 1 19 ILE HB . . 2.960 2.506 2.448 2.568 . 0 0 "[ . 1 . 2]" 1
269 1 19 ILE HA 1 19 ILE MD . . 4.640 3.758 3.732 3.792 . 0 0 "[ . 1 . 2]" 1
270 1 19 ILE HA 1 19 ILE HG12 . . 3.210 3.007 2.881 3.109 . 0 0 "[ . 1 . 2]" 1
271 1 19 ILE HA 1 19 ILE HG13 . . 3.210 2.401 2.350 2.457 . 0 0 "[ . 1 . 2]" 1
272 1 19 ILE HA 1 20 SER H . . 2.830 2.255 2.124 2.395 . 0 0 "[ . 1 . 2]" 1
273 1 19 ILE HA 1 68 LEU MD2 . . 4.480 2.738 1.824 4.041 . 0 0 "[ . 1 . 2]" 1
274 1 19 ILE HB 1 20 SER H . . 4.260 4.102 3.953 4.310 0.050 10 0 "[ . 1 . 2]" 1
275 1 19 ILE HB 1 23 TYR QB . . 6.380 4.830 4.335 5.599 . 0 0 "[ . 1 . 2]" 1
276 1 19 ILE MD 1 20 SER H . . 5.260 3.989 3.644 4.545 . 0 0 "[ . 1 . 2]" 1
277 1 19 ILE MD 1 23 TYR HA . . 5.810 4.465 3.874 5.340 . 0 0 "[ . 1 . 2]" 1
278 1 19 ILE MD 1 23 TYR HB2 . . 5.320 3.855 2.816 4.980 . 0 0 "[ . 1 . 2]" 1
279 1 19 ILE MD 1 23 TYR HB3 . . 5.320 2.589 1.938 3.476 . 0 0 "[ . 1 . 2]" 1
280 1 19 ILE MD 1 23 TYR QD . . 7.740 2.994 1.807 4.776 . 0 0 "[ . 1 . 2]" 1
281 1 19 ILE MD 1 24 ARG HA . . 4.260 2.386 1.846 3.013 . 0 0 "[ . 1 . 2]" 1
282 1 19 ILE QG 1 20 SER H . . 3.470 2.295 1.894 2.887 . 0 0 "[ . 1 . 2]" 1
283 1 19 ILE QG 1 23 TYR QB . . 4.590 2.310 1.911 2.817 . 0 0 "[ . 1 . 2]" 1
284 1 19 ILE QG 1 23 TYR QD . . 6.440 3.283 2.217 4.246 . 0 0 "[ . 1 . 2]" 1
285 1 19 ILE QG 1 68 LEU MD2 . . 5.360 2.641 1.794 3.310 . 0 0 "[ . 1 . 2]" 1
286 1 19 ILE HG12 1 20 SER H . . 3.640 2.474 1.943 3.293 . 0 0 "[ . 1 . 2]" 1
287 1 19 ILE HG12 1 23 TYR HB2 . . 6.070 3.559 2.266 4.592 . 0 0 "[ . 1 . 2]" 1
288 1 19 ILE HG12 1 23 TYR HB3 . . 6.070 2.810 1.996 3.669 . 0 0 "[ . 1 . 2]" 1
289 1 19 ILE HG13 1 20 SER H . . 3.640 2.765 2.494 3.193 . 0 0 "[ . 1 . 2]" 1
290 1 19 ILE HG13 1 23 TYR HB2 . . 6.070 3.803 2.511 5.277 . 0 0 "[ . 1 . 2]" 1
291 1 19 ILE HG13 1 23 TYR HB3 . . 6.070 2.868 2.278 3.739 . 0 0 "[ . 1 . 2]" 1
292 1 19 ILE MG 1 20 SER H . . 5.230 3.620 3.291 4.054 . 0 0 "[ . 1 . 2]" 1
293 1 20 SER H 1 20 SER HB2 . . 4.140 2.958 2.478 3.840 . 0 0 "[ . 1 . 2]" 1
294 1 20 SER H 1 20 SER QB . . 3.470 2.646 2.258 3.283 . 0 0 "[ . 1 . 2]" 1
295 1 20 SER H 1 20 SER HB3 . . 4.140 3.191 2.503 4.015 . 0 0 "[ . 1 . 2]" 1
296 1 20 SER H 1 23 TYR HB2 . . 4.070 3.539 2.662 4.159 0.089 8 0 "[ . 1 . 2]" 1
297 1 20 SER H 1 23 TYR QB . . 3.910 3.074 2.621 3.693 . 0 0 "[ . 1 . 2]" 1
298 1 20 SER H 1 23 TYR HB3 . . 4.070 3.640 2.759 4.155 0.085 10 0 "[ . 1 . 2]" 1
299 1 20 SER HA 1 20 SER QB . . 2.720 2.357 2.172 2.442 . 0 0 "[ . 1 . 2]" 1
300 1 22 GLY QA 1 25 GLN H . . 4.400 3.177 2.657 3.415 . 0 0 "[ . 1 . 2]" 1
301 1 22 GLY QA 1 25 GLN QB . . 4.210 2.949 2.353 3.446 . 0 0 "[ . 1 . 2]" 1
302 1 22 GLY QA 1 25 GLN QE . . 7.240 2.774 1.827 4.698 . 0 0 "[ . 1 . 2]" 1
303 1 22 GLY QA 1 26 ARG H . . 5.510 4.194 3.825 4.649 . 0 0 "[ . 1 . 2]" 1
304 1 22 GLY HA2 1 25 GLN H . . 4.720 3.279 2.710 3.516 . 0 0 "[ . 1 . 2]" 1
305 1 22 GLY HA2 1 25 GLN HB2 . . 5.510 3.286 2.392 4.117 . 0 0 "[ . 1 . 2]" 1
306 1 22 GLY HA2 1 25 GLN HB3 . . 5.510 4.709 2.788 5.607 0.097 1 0 "[ . 1 . 2]" 1
307 1 22 GLY HA3 1 25 GLN H . . 4.720 4.294 3.824 4.681 . 0 0 "[ . 1 . 2]" 1
308 1 22 GLY HA3 1 25 GLN HB2 . . 5.510 3.907 3.130 5.196 . 0 0 "[ . 1 . 2]" 1
309 1 22 GLY HA3 1 25 GLN HB3 . . 5.510 5.384 4.291 5.620 0.110 5 0 "[ . 1 . 2]" 1
310 1 23 TYR H 1 23 TYR HB2 . . 3.330 2.267 2.114 2.445 . 0 0 "[ . 1 . 2]" 1
311 1 23 TYR H 1 23 TYR HB3 . . 3.330 3.005 2.592 3.516 0.186 5 0 "[ . 1 . 2]" 1
312 1 23 TYR H 1 24 ARG H . . 3.020 2.570 2.444 2.694 . 0 0 "[ . 1 . 2]" 1
313 1 23 TYR H 1 24 ARG QB . . 5.170 4.268 4.071 4.497 . 0 0 "[ . 1 . 2]" 1
314 1 23 TYR H 1 25 GLN H . . 4.510 4.124 3.825 4.409 . 0 0 "[ . 1 . 2]" 1
315 1 23 TYR HA 1 23 TYR HB2 . . 3.050 2.720 2.510 3.003 . 0 0 "[ . 1 . 2]" 1
316 1 23 TYR HA 1 23 TYR HB3 . . 3.050 2.905 2.587 3.026 . 0 0 "[ . 1 . 2]" 1
317 1 23 TYR HA 1 25 GLN H . . 4.200 4.177 3.869 4.310 0.110 18 0 "[ . 1 . 2]" 1
318 1 23 TYR HA 1 26 ARG H . . 3.240 3.126 2.908 3.281 0.041 13 0 "[ . 1 . 2]" 1
319 1 23 TYR HA 1 26 ARG HB2 . . 3.390 2.899 2.014 3.370 . 0 0 "[ . 1 . 2]" 1
320 1 23 TYR HA 1 26 ARG QB . . 3.160 2.483 2.003 2.808 . 0 0 "[ . 1 . 2]" 1
321 1 23 TYR HA 1 26 ARG HB3 . . 3.390 2.807 2.304 3.537 0.147 6 0 "[ . 1 . 2]" 1
322 1 23 TYR HA 1 27 LEU H . . 4.410 4.076 3.875 4.466 0.056 20 0 "[ . 1 . 2]" 1
323 1 23 TYR HA 1 27 LEU MD1 . . 5.660 5.011 4.713 5.407 . 0 0 "[ . 1 . 2]" 1
324 1 23 TYR QB 1 24 ARG H . . 3.770 2.770 2.494 3.055 . 0 0 "[ . 1 . 2]" 1
325 1 23 TYR HB2 1 24 ARG H . . 4.040 3.535 2.698 3.900 . 0 0 "[ . 1 . 2]" 1
326 1 23 TYR HB3 1 24 ARG H . . 4.040 3.013 2.541 3.678 . 0 0 "[ . 1 . 2]" 1
327 1 23 TYR QD 1 27 LEU MD1 . . 7.120 3.105 2.248 4.740 . 0 0 "[ . 1 . 2]" 1
328 1 23 TYR QD 1 27 LEU HG . . 7.640 3.141 1.784 4.515 . 0 0 "[ . 1 . 2]" 1
329 1 23 TYR QD 1 68 LEU MD1 . . 8.670 2.835 2.242 4.705 . 0 0 "[ . 1 . 2]" 1
330 1 23 TYR QE 1 27 LEU MD1 . . 6.890 3.810 2.138 6.370 . 0 0 "[ . 1 . 2]" 1
331 1 23 TYR QE 1 27 LEU MD2 . . 7.700 3.422 1.798 6.371 . 0 0 "[ . 1 . 2]" 1
332 1 23 TYR QE 1 68 LEU MD1 . . 7.300 2.836 2.021 5.310 . 0 0 "[ . 1 . 2]" 1
333 1 24 ARG H 1 24 ARG HB2 . . 3.270 2.408 2.130 2.606 . 0 0 "[ . 1 . 2]" 1
334 1 24 ARG H 1 24 ARG QB . . 2.950 2.202 2.111 2.241 . 0 0 "[ . 1 . 2]" 1
335 1 24 ARG H 1 24 ARG HB3 . . 3.270 2.675 2.304 3.499 0.229 10 0 "[ . 1 . 2]" 1
336 1 24 ARG H 1 24 ARG HG2 . . 4.380 4.319 3.685 4.478 0.098 3 0 "[ . 1 . 2]" 1
337 1 24 ARG H 1 24 ARG QG . . 3.990 3.740 2.548 3.953 . 0 0 "[ . 1 . 2]" 1
338 1 24 ARG H 1 24 ARG HG3 . . 4.380 4.164 2.598 4.489 0.109 9 0 "[ . 1 . 2]" 1
339 1 24 ARG H 1 25 GLN H . . 2.960 2.667 2.557 2.824 . 0 0 "[ . 1 . 2]" 1
340 1 24 ARG H 1 25 GLN QE . . 6.370 5.625 4.813 6.425 0.055 9 0 "[ . 1 . 2]" 1
341 1 24 ARG H 1 26 ARG H . . 5.500 4.029 3.872 4.141 . 0 0 "[ . 1 . 2]" 1
342 1 24 ARG HA 1 24 ARG HG2 . . 3.050 2.832 2.188 3.135 0.085 9 0 "[ . 1 . 2]" 1
343 1 24 ARG HA 1 24 ARG QG . . 2.610 2.451 2.163 2.618 0.008 14 0 "[ . 1 . 2]" 1
344 1 24 ARG HA 1 24 ARG HG3 . . 3.050 2.777 2.524 3.395 0.345 13 0 "[ . 1 . 2]" 1
345 1 24 ARG HA 1 26 ARG H . . 4.630 4.352 4.174 4.505 . 0 0 "[ . 1 . 2]" 1
346 1 24 ARG HA 1 27 LEU H . . 3.390 3.400 3.322 3.470 0.080 11 0 "[ . 1 . 2]" 1
347 1 24 ARG HA 1 27 LEU HB2 . . 3.270 2.657 2.606 2.724 . 0 0 "[ . 1 . 2]" 1
348 1 24 ARG HA 1 27 LEU HB3 . . 4.200 4.269 4.205 4.323 0.123 20 0 "[ . 1 . 2]" 1
349 1 24 ARG HA 1 28 PHE H . . 3.890 3.939 3.842 4.016 0.126 12 0 "[ . 1 . 2]" 1
350 1 24 ARG QB 1 25 GLN H . . 3.330 2.493 2.358 2.620 . 0 0 "[ . 1 . 2]" 1
351 1 24 ARG QB 1 25 GLN QG . . 5.610 3.262 2.862 5.415 . 0 0 "[ . 1 . 2]" 1
352 1 24 ARG HB2 1 24 ARG HD2 . . 4.260 3.153 2.495 3.771 . 0 0 "[ . 1 . 2]" 1
353 1 24 ARG HB2 1 24 ARG HD3 . . 4.260 3.475 2.600 4.172 . 0 0 "[ . 1 . 2]" 1
354 1 24 ARG HB2 1 25 GLN H . . 3.730 3.617 2.670 3.839 0.109 9 0 "[ . 1 . 2]" 1
355 1 24 ARG HB3 1 24 ARG HD2 . . 4.260 2.741 2.342 3.635 . 0 0 "[ . 1 . 2]" 1
356 1 24 ARG HB3 1 24 ARG HD3 . . 4.260 3.210 2.208 3.712 . 0 0 "[ . 1 . 2]" 1
357 1 24 ARG HB3 1 25 GLN H . . 3.730 2.634 2.382 3.406 . 0 0 "[ . 1 . 2]" 1
358 1 24 ARG QD 1 25 GLN H . . 6.380 4.347 3.778 5.030 . 0 0 "[ . 1 . 2]" 1
359 1 24 ARG HG2 1 25 GLN H . . 5.500 4.021 3.380 5.060 . 0 0 "[ . 1 . 2]" 1
360 1 24 ARG HG3 1 25 GLN H . . 5.500 4.791 4.558 5.130 . 0 0 "[ . 1 . 2]" 1
361 1 25 GLN H 1 25 GLN HB2 . . 3.390 2.390 2.223 2.550 . 0 0 "[ . 1 . 2]" 1
362 1 25 GLN H 1 25 GLN QB . . 3.160 2.341 2.189 2.495 . 0 0 "[ . 1 . 2]" 1
363 1 25 GLN H 1 25 GLN HB3 . . 3.390 3.480 2.427 3.557 0.167 15 0 "[ . 1 . 2]" 1
364 1 25 GLN H 1 25 GLN HE21 . . 5.500 3.834 3.034 4.620 . 0 0 "[ . 1 . 2]" 1
365 1 25 GLN H 1 25 GLN HE22 . . 5.500 5.252 4.661 5.549 0.049 18 0 "[ . 1 . 2]" 1
366 1 25 GLN H 1 25 GLN HG2 . . 4.380 3.479 2.214 4.398 0.018 18 0 "[ . 1 . 2]" 1
367 1 25 GLN H 1 25 GLN QG . . 4.170 2.343 1.934 3.933 . 0 0 "[ . 1 . 2]" 1
368 1 25 GLN H 1 25 GLN HG3 . . 4.380 2.466 1.950 4.432 0.052 18 0 "[ . 1 . 2]" 1
369 1 25 GLN H 1 26 ARG H . . 3.170 2.579 2.496 2.680 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLN H 1 27 LEU H . . 4.630 4.041 3.968 4.155 . 0 0 "[ . 1 . 2]" 1
371 1 25 GLN HA 1 25 GLN HB2 . . 2.960 2.981 2.444 3.018 0.058 15 0 "[ . 1 . 2]" 1
372 1 25 GLN HA 1 25 GLN HB3 . . 2.960 2.527 2.412 3.015 0.055 18 0 "[ . 1 . 2]" 1
373 1 25 GLN HA 1 25 GLN QG . . 3.970 2.433 2.296 2.925 . 0 0 "[ . 1 . 2]" 1
374 1 25 GLN HA 1 27 LEU H . . 4.260 4.339 4.294 4.398 0.138 9 0 "[ . 1 . 2]" 1
375 1 25 GLN HA 1 28 PHE H . . 3.580 3.360 3.182 3.580 . 0 0 "[ . 1 . 2]" 1
376 1 25 GLN HA 1 28 PHE HB2 . . 3.300 2.972 2.090 3.318 0.018 18 0 "[ . 1 . 2]" 1
377 1 25 GLN HA 1 28 PHE HB3 . . 3.300 2.710 2.303 3.318 0.018 10 0 "[ . 1 . 2]" 1
378 1 25 GLN HA 1 29 SER H . . 5.220 3.914 3.656 4.144 . 0 0 "[ . 1 . 2]" 1
379 1 25 GLN HB2 1 26 ARG H . . 3.700 2.751 2.443 3.765 0.065 18 0 "[ . 1 . 2]" 1
380 1 25 GLN HB3 1 26 ARG H . . 3.700 3.596 2.435 3.730 0.030 8 0 "[ . 1 . 2]" 1
381 1 25 GLN QE 1 26 ARG H . . 6.370 4.350 3.823 4.872 . 0 0 "[ . 1 . 2]" 1
382 1 25 GLN HG2 1 26 ARG H . . 5.500 4.913 3.608 5.166 . 0 0 "[ . 1 . 2]" 1
383 1 25 GLN HG3 1 26 ARG H . . 5.500 4.403 4.032 4.997 . 0 0 "[ . 1 . 2]" 1
384 1 26 ARG H 1 26 ARG HB2 . . 3.360 2.404 2.138 2.555 . 0 0 "[ . 1 . 2]" 1
385 1 26 ARG H 1 26 ARG QB . . 3.090 2.220 2.098 2.275 . 0 0 "[ . 1 . 2]" 1
386 1 26 ARG H 1 26 ARG HB3 . . 3.360 2.681 2.468 3.474 0.114 6 0 "[ . 1 . 2]" 1
387 1 26 ARG H 1 27 LEU H . . 3.110 2.602 2.450 2.739 . 0 0 "[ . 1 . 2]" 1
388 1 26 ARG H 1 28 PHE H . . 4.540 4.063 3.942 4.181 . 0 0 "[ . 1 . 2]" 1
389 1 26 ARG HA 1 28 PHE H . . 4.510 4.540 4.421 4.577 0.067 16 0 "[ . 1 . 2]" 1
390 1 26 ARG HA 1 29 SER H . . 3.800 3.576 3.363 3.785 . 0 0 "[ . 1 . 2]" 1
391 1 26 ARG QB 1 27 LEU H . . 3.440 2.519 2.398 2.660 . 0 0 "[ . 1 . 2]" 1
392 1 26 ARG QB 1 27 LEU MD2 . . 6.230 3.759 3.417 3.973 . 0 0 "[ . 1 . 2]" 1
393 1 26 ARG HB2 1 27 LEU H . . 3.730 3.676 2.662 3.818 0.088 5 0 "[ . 1 . 2]" 1
394 1 26 ARG HB3 1 27 LEU H . . 3.730 2.598 2.425 3.309 . 0 0 "[ . 1 . 2]" 1
395 1 26 ARG QG 1 27 LEU H . . 6.350 3.870 3.425 4.373 . 0 0 "[ . 1 . 2]" 1
396 1 27 LEU H 1 27 LEU HB2 . . 3.170 2.398 2.310 2.513 . 0 0 "[ . 1 . 2]" 1
397 1 27 LEU H 1 27 LEU HB3 . . 3.730 3.576 3.552 3.598 . 0 0 "[ . 1 . 2]" 1
398 1 27 LEU H 1 27 LEU MD1 . . 4.390 3.683 3.493 3.796 . 0 0 "[ . 1 . 2]" 1
399 1 27 LEU H 1 27 LEU HG . . 3.390 2.436 2.215 2.626 . 0 0 "[ . 1 . 2]" 1
400 1 27 LEU H 1 28 PHE H . . 3.210 2.581 2.513 2.641 . 0 0 "[ . 1 . 2]" 1
401 1 27 LEU H 1 29 SER H . . 4.290 4.076 4.001 4.145 . 0 0 "[ . 1 . 2]" 1
402 1 27 LEU HA 1 27 LEU HB3 . . 2.800 2.523 2.464 2.572 . 0 0 "[ . 1 . 2]" 1
403 1 27 LEU HA 1 27 LEU MD2 . . 4.110 1.955 1.870 2.080 . 0 0 "[ . 1 . 2]" 1
404 1 27 LEU HA 1 27 LEU HG . . 3.210 3.066 2.988 3.137 . 0 0 "[ . 1 . 2]" 1
405 1 27 LEU HA 1 29 SER H . . 4.450 4.412 4.220 4.494 0.044 3 0 "[ . 1 . 2]" 1
406 1 27 LEU HA 1 30 MET H . . 3.700 3.302 3.181 3.434 . 0 0 "[ . 1 . 2]" 1
407 1 27 LEU HA 1 30 MET HB2 . . 3.020 2.530 2.347 2.601 . 0 0 "[ . 1 . 2]" 1
408 1 27 LEU HA 1 30 MET HB3 . . 4.140 4.148 3.932 4.205 0.065 7 0 "[ . 1 . 2]" 1
409 1 27 LEU HB2 1 27 LEU HG . . 3.020 2.451 2.407 2.511 . 0 0 "[ . 1 . 2]" 1
410 1 27 LEU HB2 1 28 PHE H . . 3.140 2.559 2.453 2.730 . 0 0 "[ . 1 . 2]" 1
411 1 27 LEU HB3 1 28 PHE H . . 3.890 3.512 3.417 3.641 . 0 0 "[ . 1 . 2]" 1
412 1 27 LEU HB3 1 32 LEU H . . 5.000 3.924 3.521 4.100 . 0 0 "[ . 1 . 2]" 1
413 1 27 LEU MD1 1 28 PHE H . . 6.280 4.501 4.325 4.679 . 0 0 "[ . 1 . 2]" 1
414 1 27 LEU MD1 1 32 LEU HB2 . . 4.790 3.639 3.162 3.997 . 0 0 "[ . 1 . 2]" 1
415 1 27 LEU MD1 1 32 LEU QB . . 4.450 3.346 2.898 3.702 . 0 0 "[ . 1 . 2]" 1
416 1 27 LEU MD1 1 32 LEU HB3 . . 4.790 3.908 3.366 4.372 . 0 0 "[ . 1 . 2]" 1
417 1 27 LEU MD2 1 28 PHE H . . 6.530 4.614 4.568 4.654 . 0 0 "[ . 1 . 2]" 1
418 1 27 LEU MD2 1 30 MET HB3 . . 4.790 4.498 4.187 4.764 . 0 0 "[ . 1 . 2]" 1
419 1 27 LEU MD2 1 32 LEU H . . 5.130 4.621 4.308 4.877 . 0 0 "[ . 1 . 2]" 1
420 1 27 LEU MD2 1 32 LEU HA . . 6.370 5.450 5.179 5.767 . 0 0 "[ . 1 . 2]" 1
421 1 27 LEU HG 1 28 PHE H . . 5.190 4.379 4.223 4.520 . 0 0 "[ . 1 . 2]" 1
422 1 28 PHE H 1 28 PHE HB2 . . 3.020 2.302 1.996 2.398 . 0 0 "[ . 1 . 2]" 1
423 1 28 PHE H 1 28 PHE HB3 . . 3.020 2.718 2.608 3.302 0.282 10 0 "[ . 1 . 2]" 1
424 1 28 PHE H 1 29 SER H . . 3.270 2.716 2.655 2.806 . 0 0 "[ . 1 . 2]" 1
425 1 28 PHE H 1 31 GLY H . . 4.760 4.770 4.659 4.821 0.061 12 0 "[ . 1 . 2]" 1
426 1 28 PHE H 1 32 LEU H . . 4.690 4.690 4.524 4.759 0.069 20 0 "[ . 1 . 2]" 1
427 1 28 PHE HA 1 31 GLY H . . 4.140 3.413 3.266 3.485 . 0 0 "[ . 1 . 2]" 1
428 1 28 PHE HA 1 32 LEU H . . 3.670 3.329 3.092 3.517 . 0 0 "[ . 1 . 2]" 1
429 1 28 PHE HA 1 33 LEU QB . . 4.520 2.923 2.428 3.783 . 0 0 "[ . 1 . 2]" 1
430 1 28 PHE HA 1 33 LEU MD1 . . 5.190 4.929 4.177 5.241 0.051 6 0 "[ . 1 . 2]" 1
431 1 28 PHE QB 1 29 SER H . . 3.390 2.400 2.293 2.670 . 0 0 "[ . 1 . 2]" 1
432 1 28 PHE QB 1 30 MET H . . 5.260 4.499 4.456 4.551 . 0 0 "[ . 1 . 2]" 1
433 1 28 PHE HB2 1 29 SER H . . 3.580 3.600 2.972 3.668 0.088 1 0 "[ . 1 . 2]" 1
434 1 28 PHE HB2 1 30 MET H . . 5.440 5.485 5.111 5.537 0.097 11 0 "[ . 1 . 2]" 1
435 1 28 PHE HB3 1 29 SER H . . 3.580 2.450 2.317 3.023 . 0 0 "[ . 1 . 2]" 1
436 1 28 PHE HB3 1 30 MET H . . 5.440 4.785 4.711 5.105 . 0 0 "[ . 1 . 2]" 1
437 1 28 PHE QD 1 29 SER H . . 7.620 3.691 3.358 4.591 . 0 0 "[ . 1 . 2]" 1
438 1 28 PHE QD 1 33 LEU QB . . 6.830 2.622 2.215 3.076 . 0 0 "[ . 1 . 2]" 1
439 1 28 PHE QE 1 33 LEU QB . . 7.170 2.883 2.399 3.620 . 0 0 "[ . 1 . 2]" 1
440 1 28 PHE QE 1 33 LEU MD1 . . 8.310 3.275 2.148 4.620 . 0 0 "[ . 1 . 2]" 1
441 1 29 SER H 1 29 SER HB2 . . 3.700 2.481 2.337 2.534 . 0 0 "[ . 1 . 2]" 1
442 1 29 SER H 1 29 SER QB . . 3.370 2.432 2.197 2.484 . 0 0 "[ . 1 . 2]" 1
443 1 29 SER H 1 29 SER HB3 . . 3.700 3.528 2.671 3.583 . 0 0 "[ . 1 . 2]" 1
444 1 29 SER H 1 30 MET H . . 3.300 2.620 2.553 2.683 . 0 0 "[ . 1 . 2]" 1
445 1 29 SER H 1 31 GLY H . . 4.040 3.969 3.883 4.091 0.051 15 0 "[ . 1 . 2]" 1
446 1 29 SER HB2 1 30 MET H . . 3.730 2.850 2.740 3.840 0.110 17 0 "[ . 1 . 2]" 1
447 1 29 SER HB3 1 30 MET H . . 3.730 3.766 2.766 3.863 0.133 18 0 "[ . 1 . 2]" 1
448 1 30 MET H 1 30 MET HB2 . . 2.930 2.350 2.289 2.436 . 0 0 "[ . 1 . 2]" 1
449 1 30 MET H 1 30 MET HB3 . . 3.550 3.584 3.558 3.604 0.054 3 0 "[ . 1 . 2]" 1
450 1 30 MET H 1 30 MET HG2 . . 3.950 3.573 2.471 3.874 . 0 0 "[ . 1 . 2]" 1
451 1 30 MET H 1 30 MET QG . . 3.490 2.602 2.399 2.774 . 0 0 "[ . 1 . 2]" 1
452 1 30 MET H 1 30 MET HG3 . . 3.950 2.833 2.439 3.789 . 0 0 "[ . 1 . 2]" 1
453 1 30 MET H 1 31 GLY H . . 2.870 2.444 2.377 2.503 . 0 0 "[ . 1 . 2]" 1
454 1 30 MET H 1 32 LEU H . . 3.670 3.661 3.506 3.710 0.040 15 0 "[ . 1 . 2]" 1
455 1 30 MET HA 1 30 MET HB3 . . 2.770 2.552 2.506 2.590 . 0 0 "[ . 1 . 2]" 1
456 1 30 MET HA 1 30 MET HG2 . . 3.730 2.491 2.349 2.889 . 0 0 "[ . 1 . 2]" 1
457 1 30 MET HA 1 30 MET QG . . 3.260 2.391 2.274 2.796 . 0 0 "[ . 1 . 2]" 1
458 1 30 MET HA 1 30 MET HG3 . . 3.730 3.100 2.814 3.752 0.022 10 0 "[ . 1 . 2]" 1
459 1 30 MET HA 1 31 GLY H . . 3.490 3.419 3.360 3.503 0.013 15 0 "[ . 1 . 2]" 1
460 1 30 MET HB2 1 31 GLY H . . 4.200 3.183 2.755 3.376 . 0 0 "[ . 1 . 2]" 1
461 1 30 MET HB2 1 32 LEU H . . 3.670 3.278 2.972 3.630 . 0 0 "[ . 1 . 2]" 1
462 1 30 MET HB3 1 30 MET ME . . 4.110 2.573 1.927 3.289 . 0 0 "[ . 1 . 2]" 1
463 1 30 MET HB3 1 31 GLY H . . 4.290 3.926 3.702 4.074 . 0 0 "[ . 1 . 2]" 1
464 1 31 GLY H 1 31 GLY HA2 . . 2.900 2.430 2.359 2.502 . 0 0 "[ . 1 . 2]" 1
465 1 31 GLY H 1 32 LEU H . . 3.610 2.085 1.907 2.256 . 0 0 "[ . 1 . 2]" 1
466 1 31 GLY H 1 33 LEU MD1 . . 6.530 6.128 5.758 6.541 0.011 1 0 "[ . 1 . 2]" 1
467 1 31 GLY H 1 33 LEU MD2 . . 5.810 4.212 3.784 4.606 . 0 0 "[ . 1 . 2]" 1
468 1 31 GLY HA2 1 32 LEU H . . 3.420 3.158 2.987 3.273 . 0 0 "[ . 1 . 2]" 1
469 1 31 GLY HA2 1 33 LEU MD1 . . 6.500 4.865 4.169 5.160 . 0 0 "[ . 1 . 2]" 1
470 1 31 GLY HA3 1 32 LEU H . . 3.610 3.371 3.291 3.482 . 0 0 "[ . 1 . 2]" 1
471 1 32 LEU H 1 32 LEU HB2 . . 3.860 2.517 2.481 2.582 . 0 0 "[ . 1 . 2]" 1
472 1 32 LEU H 1 32 LEU QB . . 3.410 2.476 2.442 2.537 . 0 0 "[ . 1 . 2]" 1
473 1 32 LEU H 1 32 LEU HB3 . . 3.860 3.675 3.643 3.723 . 0 0 "[ . 1 . 2]" 1
474 1 32 LEU H 1 32 LEU MD1 . . 5.230 3.840 3.757 3.933 . 0 0 "[ . 1 . 2]" 1
475 1 32 LEU H 1 32 LEU QD . . 4.640 3.290 3.214 3.363 . 0 0 "[ . 1 . 2]" 1
476 1 32 LEU H 1 32 LEU MD2 . . 5.230 3.578 3.459 3.657 . 0 0 "[ . 1 . 2]" 1
477 1 32 LEU H 1 32 LEU HG . . 2.830 2.670 2.546 2.808 . 0 0 "[ . 1 . 2]" 1
478 1 32 LEU H 1 33 LEU H . . 4.480 4.062 3.859 4.185 . 0 0 "[ . 1 . 2]" 1
479 1 32 LEU HA 1 32 LEU QD . . 4.120 2.029 1.980 2.090 . 0 0 "[ . 1 . 2]" 1
480 1 32 LEU HA 1 33 LEU H . . 2.650 2.205 2.165 2.290 . 0 0 "[ . 1 . 2]" 1
481 1 32 LEU HA 1 36 ALA MB . . 6.530 3.878 3.454 4.382 . 0 0 "[ . 1 . 2]" 1
482 1 32 LEU QB 1 33 LEU H . . 4.580 3.668 3.587 3.800 . 0 0 "[ . 1 . 2]" 1
483 1 32 LEU HB2 1 33 LEU H . . 4.910 4.437 4.409 4.463 . 0 0 "[ . 1 . 2]" 1
484 1 32 LEU HB3 1 33 LEU H . . 4.910 3.913 3.795 4.119 . 0 0 "[ . 1 . 2]" 1
485 1 32 LEU QD 1 33 LEU H . . 5.950 3.809 3.718 3.915 . 0 0 "[ . 1 . 2]" 1
486 1 32 LEU MD1 1 33 LEU H . . 6.470 5.483 5.406 5.586 . 0 0 "[ . 1 . 2]" 1
487 1 32 LEU MD2 1 33 LEU H . . 6.470 3.885 3.788 4.003 . 0 0 "[ . 1 . 2]" 1
488 1 32 LEU HG 1 33 LEU H . . 5.500 5.216 5.172 5.246 . 0 0 "[ . 1 . 2]" 1
489 1 33 LEU H 1 33 LEU HB2 . . 3.730 3.810 3.735 3.855 0.125 11 0 "[ . 1 . 2]" 1
490 1 33 LEU H 1 33 LEU HB3 . . 3.730 3.289 3.146 3.533 . 0 0 "[ . 1 . 2]" 1
491 1 33 LEU H 1 33 LEU MD1 . . 4.880 3.628 2.601 4.183 . 0 0 "[ . 1 . 2]" 1
492 1 33 LEU H 1 33 LEU MD2 . . 4.670 2.622 1.761 3.977 . 0 0 "[ . 1 . 2]" 1
493 1 33 LEU H 1 33 LEU HG . . 2.900 2.640 2.154 2.944 0.044 13 0 "[ . 1 . 2]" 1
494 1 33 LEU H 1 34 PRO QD . . 5.730 4.350 4.324 4.370 . 0 0 "[ . 1 . 2]" 1
495 1 33 LEU H 1 36 ALA H . . 4.630 4.442 4.035 4.664 0.034 18 0 "[ . 1 . 2]" 1
496 1 33 LEU H 1 36 ALA MB . . 4.610 2.969 2.505 3.383 . 0 0 "[ . 1 . 2]" 1
497 1 33 LEU QB 1 34 PRO QD . . 4.920 2.028 1.795 2.275 . 0 0 "[ . 1 . 2]" 1
498 1 33 LEU QB 1 36 ALA H . . 5.850 5.108 4.702 5.559 . 0 0 "[ . 1 . 2]" 1
499 1 33 LEU HB2 1 34 PRO HD2 . . 5.890 2.088 1.812 2.384 . 0 0 "[ . 1 . 2]" 1
500 1 33 LEU HB2 1 34 PRO HD3 . . 5.890 3.265 2.827 3.574 . 0 0 "[ . 1 . 2]" 1
501 1 33 LEU HB3 1 34 PRO HD2 . . 5.890 3.401 2.891 3.874 . 0 0 "[ . 1 . 2]" 1
502 1 33 LEU HB3 1 34 PRO HD3 . . 5.890 4.085 3.504 4.518 . 0 0 "[ . 1 . 2]" 1
503 1 33 LEU MD1 1 34 PRO QD . . 6.420 3.482 3.355 3.648 . 0 0 "[ . 1 . 2]" 1
504 1 33 LEU MD1 1 36 ALA H . . 6.090 4.037 2.555 5.242 . 0 0 "[ . 1 . 2]" 1
505 1 33 LEU MD1 1 36 ALA MB . . 5.790 3.230 2.010 4.293 . 0 0 "[ . 1 . 2]" 1
506 1 33 LEU MD2 1 36 ALA MB . . 7.280 3.304 2.289 4.680 . 0 0 "[ . 1 . 2]" 1
507 1 34 PRO HA 1 35 GLY H . . 2.560 2.161 2.139 2.197 . 0 0 "[ . 1 . 2]" 1
508 1 34 PRO HA 1 36 ALA H . . 3.890 3.423 3.213 3.563 . 0 0 "[ . 1 . 2]" 1
509 1 34 PRO QB 1 35 GLY H . . 4.030 3.285 3.131 3.453 . 0 0 "[ . 1 . 2]" 1
510 1 34 PRO HB2 1 35 GLY H . . 4.480 3.667 3.351 4.010 . 0 0 "[ . 1 . 2]" 1
511 1 34 PRO HB3 1 35 GLY H . . 4.480 3.760 3.441 4.021 . 0 0 "[ . 1 . 2]" 1
512 1 34 PRO QD 1 35 GLY H . . 5.590 4.948 4.903 4.993 . 0 0 "[ . 1 . 2]" 1
513 1 35 GLY H 1 36 ALA H . . 3.170 2.368 2.113 2.650 . 0 0 "[ . 1 . 2]" 1
514 1 35 GLY H 1 36 ALA MB . . 5.690 4.212 4.068 4.405 . 0 0 "[ . 1 . 2]" 1
515 1 35 GLY H 1 37 ALA MB . . 6.430 5.974 5.652 6.323 . 0 0 "[ . 1 . 2]" 1
516 1 36 ALA H 1 36 ALA MB . . 3.430 2.301 2.251 2.402 . 0 0 "[ . 1 . 2]" 1
517 1 36 ALA H 1 37 ALA H . . 4.140 4.366 4.194 4.491 0.351 6 0 "[ . 1 . 2]" 1
518 1 36 ALA HA 1 37 ALA H . . 2.650 2.491 2.122 2.672 0.022 10 0 "[ . 1 . 2]" 1
519 1 36 ALA MB 1 37 ALA H . . 4.360 2.273 1.855 3.485 . 0 0 "[ . 1 . 2]" 1
520 1 36 ALA MB 1 38 LEU MD2 . . 6.940 3.611 2.932 4.012 . 0 0 "[ . 1 . 2]" 1
521 1 37 ALA H 1 37 ALA MB . . 3.580 2.630 2.269 2.785 . 0 0 "[ . 1 . 2]" 1
522 1 37 ALA H 1 38 LEU H . . 5.160 4.320 4.143 4.565 . 0 0 "[ . 1 . 2]" 1
523 1 37 ALA H 1 38 LEU MD2 . . 6.120 4.013 3.559 4.605 . 0 0 "[ . 1 . 2]" 1
524 1 37 ALA HA 1 38 LEU H . . 2.560 2.203 2.131 2.284 . 0 0 "[ . 1 . 2]" 1
525 1 37 ALA HA 1 38 LEU MD1 . . 5.350 4.742 3.937 5.124 . 0 0 "[ . 1 . 2]" 1
526 1 37 ALA HA 1 38 LEU MD2 . . 6.530 3.963 2.651 4.625 . 0 0 "[ . 1 . 2]" 1
527 1 37 ALA MB 1 38 LEU H . . 4.050 2.825 2.613 3.240 . 0 0 "[ . 1 . 2]" 1
528 1 37 ALA MB 1 38 LEU HA . . 5.970 4.099 3.992 4.322 . 0 0 "[ . 1 . 2]" 1
529 1 38 LEU H 1 38 LEU HB2 . . 3.890 2.655 2.501 2.770 . 0 0 "[ . 1 . 2]" 1
530 1 38 LEU H 1 38 LEU QB . . 3.620 2.604 2.462 2.710 . 0 0 "[ . 1 . 2]" 1
531 1 38 LEU H 1 38 LEU HB3 . . 3.890 3.760 3.662 3.846 . 0 0 "[ . 1 . 2]" 1
532 1 38 LEU H 1 38 LEU MD2 . . 5.160 3.298 1.987 3.949 . 0 0 "[ . 1 . 2]" 1
533 1 38 LEU H 1 38 LEU HG . . 4.110 3.192 2.492 4.205 0.095 12 0 "[ . 1 . 2]" 1
534 1 38 LEU H 1 39 ARG H . . 5.100 4.375 4.278 4.482 . 0 0 "[ . 1 . 2]" 1
535 1 38 LEU HA 1 38 LEU MD1 . . 4.670 3.445 1.973 3.940 . 0 0 "[ . 1 . 2]" 1
536 1 38 LEU HA 1 39 ARG H . . 2.770 2.160 2.108 2.213 . 0 0 "[ . 1 . 2]" 1
537 1 38 LEU HA 1 53 GLU H . . 4.040 4.101 3.989 4.187 0.147 17 0 "[ . 1 . 2]" 1
538 1 38 LEU HA 1 54 THR HA . . 3.580 3.125 2.694 3.616 0.036 10 0 "[ . 1 . 2]" 1
539 1 38 LEU QB 1 39 ARG H . . 3.680 2.991 2.811 3.142 . 0 0 "[ . 1 . 2]" 1
540 1 38 LEU HB2 1 39 ARG H . . 3.920 4.004 3.949 4.073 0.153 18 0 "[ . 1 . 2]" 1
541 1 38 LEU HB3 1 39 ARG H . . 3.920 3.089 2.876 3.268 . 0 0 "[ . 1 . 2]" 1
542 1 38 LEU MD1 1 39 ARG H . . 6.310 4.643 3.422 5.084 . 0 0 "[ . 1 . 2]" 1
543 1 38 LEU MD2 1 39 ARG H . . 6.530 3.995 3.561 4.930 . 0 0 "[ . 1 . 2]" 1
544 1 38 LEU MD2 1 53 GLU H . . 6.530 4.651 3.724 6.179 . 0 0 "[ . 1 . 2]" 1
545 1 38 LEU HG 1 39 ARG H . . 5.500 5.121 4.959 5.364 . 0 0 "[ . 1 . 2]" 1
546 1 39 ARG H 1 39 ARG HB2 . . 3.490 2.899 2.332 3.669 0.179 17 0 "[ . 1 . 2]" 1
547 1 39 ARG H 1 39 ARG QB . . 3.270 2.365 2.202 2.803 . 0 0 "[ . 1 . 2]" 1
548 1 39 ARG H 1 39 ARG HB3 . . 3.490 2.578 2.235 3.580 0.090 15 0 "[ . 1 . 2]" 1
549 1 39 ARG H 1 39 ARG HG2 . . 5.500 4.284 2.499 4.557 . 0 0 "[ . 1 . 2]" 1
550 1 39 ARG H 1 39 ARG HG3 . . 5.500 4.495 3.696 4.634 . 0 0 "[ . 1 . 2]" 1
551 1 39 ARG H 1 40 VAL H . . 5.070 4.419 4.308 4.555 . 0 0 "[ . 1 . 2]" 1
552 1 39 ARG H 1 52 VAL QG . . 7.440 3.884 3.469 4.429 . 0 0 "[ . 1 . 2]" 1
553 1 39 ARG H 1 53 GLU H . . 3.080 2.641 2.434 2.948 . 0 0 "[ . 1 . 2]" 1
554 1 39 ARG HA 1 39 ARG HG2 . . 4.140 3.260 2.830 3.614 . 0 0 "[ . 1 . 2]" 1
555 1 39 ARG HA 1 39 ARG QG . . 3.980 2.516 2.180 3.411 . 0 0 "[ . 1 . 2]" 1
556 1 39 ARG HA 1 39 ARG HG3 . . 4.140 2.649 2.205 4.186 0.046 17 0 "[ . 1 . 2]" 1
557 1 39 ARG HA 1 40 VAL H . . 2.770 2.184 2.133 2.344 . 0 0 "[ . 1 . 2]" 1
558 1 39 ARG QB 1 40 VAL H . . 4.390 3.675 2.583 3.896 . 0 0 "[ . 1 . 2]" 1
559 1 39 ARG QB 1 40 VAL QG . . 7.080 4.633 3.897 4.881 . 0 0 "[ . 1 . 2]" 1
560 1 39 ARG QB 1 41 VAL QG . . 8.470 4.032 3.683 4.643 . 0 0 "[ . 1 . 2]" 1
561 1 39 ARG QB 1 53 GLU H . . 5.230 3.261 2.606 4.519 . 0 0 "[ . 1 . 2]" 1
562 1 39 ARG HB2 1 40 VAL H . . 4.660 4.175 2.622 4.432 . 0 0 "[ . 1 . 2]" 1
563 1 39 ARG HB3 1 40 VAL H . . 4.660 4.157 2.793 4.491 . 0 0 "[ . 1 . 2]" 1
564 1 39 ARG HG2 1 40 VAL H . . 4.320 3.465 2.788 4.446 0.126 15 0 "[ . 1 . 2]" 1
565 1 39 ARG HG3 1 40 VAL H . . 4.320 3.307 2.569 4.399 0.079 17 0 "[ . 1 . 2]" 1
566 1 40 VAL H 1 40 VAL HB . . 3.110 2.523 2.414 2.805 . 0 0 "[ . 1 . 2]" 1
567 1 40 VAL H 1 40 VAL QG . . 4.120 2.187 2.017 2.341 . 0 0 "[ . 1 . 2]" 1
568 1 40 VAL HA 1 41 VAL H . . 2.680 2.111 2.078 2.153 . 0 0 "[ . 1 . 2]" 1
569 1 40 VAL HA 1 42 ARG H . . 3.920 4.003 3.795 4.109 0.189 19 0 "[ . 1 . 2]" 1
570 1 40 VAL HA 1 52 VAL HA . . 2.960 2.636 2.292 2.977 0.017 1 0 "[ . 1 . 2]" 1
571 1 40 VAL HA 1 52 VAL HB . . 4.290 3.637 3.407 3.927 . 0 0 "[ . 1 . 2]" 1
572 1 40 VAL HA 1 52 VAL QG . . 5.760 1.899 1.727 2.409 . 0 0 "[ . 1 . 2]" 1
573 1 40 VAL HA 1 53 GLU H . . 4.450 4.042 3.755 4.322 . 0 0 "[ . 1 . 2]" 1
574 1 40 VAL HB 1 41 VAL H . . 5.500 4.285 4.190 4.410 . 0 0 "[ . 1 . 2]" 1
575 1 40 VAL QG 1 41 VAL H . . 4.290 2.680 2.458 2.857 . 0 0 "[ . 1 . 2]" 1
576 1 40 VAL QG 1 41 VAL HA . . 5.860 3.520 3.355 3.655 . 0 0 "[ . 1 . 2]" 1
577 1 40 VAL QG 1 42 ARG H . . 6.070 2.873 2.430 3.168 . 0 0 "[ . 1 . 2]" 1
578 1 40 VAL QG 1 43 ILE H . . 7.810 4.025 3.427 4.591 . 0 0 "[ . 1 . 2]" 1
579 1 40 VAL QG 1 51 GLN H . . 7.470 4.225 3.740 5.140 . 0 0 "[ . 1 . 2]" 1
580 1 40 VAL QG 1 52 VAL HA . . 6.540 3.891 3.507 4.210 . 0 0 "[ . 1 . 2]" 1
581 1 40 VAL QG 1 52 VAL HB . . 6.410 4.760 4.327 5.107 . 0 0 "[ . 1 . 2]" 1
582 1 40 VAL MG1 1 41 VAL H . . 4.640 3.855 2.909 4.046 . 0 0 "[ . 1 . 2]" 1
583 1 40 VAL MG2 1 41 VAL H . . 4.640 2.788 2.491 4.078 . 0 0 "[ . 1 . 2]" 1
584 1 41 VAL H 1 41 VAL HB . . 3.050 2.546 2.462 2.656 . 0 0 "[ . 1 . 2]" 1
585 1 41 VAL H 1 41 VAL QG . . 4.220 2.408 2.291 2.598 . 0 0 "[ . 1 . 2]" 1
586 1 41 VAL H 1 42 ARG H . . 3.020 2.312 2.144 2.477 . 0 0 "[ . 1 . 2]" 1
587 1 41 VAL H 1 51 GLN H . . 4.820 4.640 4.452 4.834 0.014 15 0 "[ . 1 . 2]" 1
588 1 41 VAL H 1 52 VAL H . . 4.290 4.374 4.304 4.443 0.153 15 0 "[ . 1 . 2]" 1
589 1 41 VAL H 1 52 VAL HA . . 3.140 2.204 2.123 2.286 . 0 0 "[ . 1 . 2]" 1
590 1 41 VAL H 1 52 VAL HB . . 4.380 4.418 4.381 4.460 0.080 18 0 "[ . 1 . 2]" 1
591 1 41 VAL HA 1 42 ARG H . . 3.580 3.574 3.549 3.600 0.020 15 0 "[ . 1 . 2]" 1
592 1 41 VAL HB 1 42 ARG H . . 2.990 2.438 2.201 2.762 . 0 0 "[ . 1 . 2]" 1
593 1 41 VAL QG 1 42 ARG H . . 5.060 3.111 2.933 3.331 . 0 0 "[ . 1 . 2]" 1
594 1 41 VAL QG 1 42 ARG QB . . 7.760 2.948 2.243 3.356 . 0 0 "[ . 1 . 2]" 1
595 1 41 VAL QG 1 51 GLN H . . 6.880 4.913 4.507 5.115 . 0 0 "[ . 1 . 2]" 1
596 1 41 VAL QG 1 52 VAL HA . . 4.890 2.208 1.997 2.624 . 0 0 "[ . 1 . 2]" 1
597 1 41 VAL QG 1 53 GLU QB . . 6.480 2.384 1.943 2.804 . 0 0 "[ . 1 . 2]" 1
598 1 41 VAL QG 1 53 GLU QG . . 7.100 3.761 2.887 4.257 . 0 0 "[ . 1 . 2]" 1
599 1 41 VAL MG1 1 42 ARG H . . 5.540 3.333 3.085 3.685 . 0 0 "[ . 1 . 2]" 1
600 1 41 VAL MG1 1 52 VAL HA . . 5.380 4.676 4.504 4.903 . 0 0 "[ . 1 . 2]" 1
601 1 41 VAL MG1 1 53 GLU HB2 . . 8.280 4.601 3.881 5.269 . 0 0 "[ . 1 . 2]" 1
602 1 41 VAL MG1 1 53 GLU HB3 . . 8.280 5.667 4.994 6.708 . 0 0 "[ . 1 . 2]" 1
603 1 41 VAL MG2 1 42 ARG H . . 5.540 3.742 3.644 3.872 . 0 0 "[ . 1 . 2]" 1
604 1 41 VAL MG2 1 52 VAL HA . . 5.380 2.212 2.000 2.634 . 0 0 "[ . 1 . 2]" 1
605 1 41 VAL MG2 1 53 GLU HB2 . . 8.280 2.465 1.976 2.860 . 0 0 "[ . 1 . 2]" 1
606 1 41 VAL MG2 1 53 GLU HB3 . . 8.280 3.346 2.811 4.237 . 0 0 "[ . 1 . 2]" 1
607 1 42 ARG H 1 42 ARG HG2 . . 4.940 4.295 2.912 4.868 . 0 0 "[ . 1 . 2]" 1
608 1 42 ARG H 1 42 ARG QG . . 4.720 3.626 2.734 4.289 . 0 0 "[ . 1 . 2]" 1
609 1 42 ARG H 1 42 ARG HG3 . . 4.940 3.992 3.202 4.997 0.057 18 0 "[ . 1 . 2]" 1
610 1 42 ARG H 1 43 ILE H . . 5.340 4.241 4.030 4.393 . 0 0 "[ . 1 . 2]" 1
611 1 42 ARG H 1 50 ILE MG . . 5.410 4.176 3.149 4.760 . 0 0 "[ . 1 . 2]" 1
612 1 42 ARG H 1 51 GLN H . . 3.330 3.301 3.176 3.394 0.064 5 0 "[ . 1 . 2]" 1
613 1 42 ARG H 1 51 GLN HB2 . . 3.550 2.967 2.220 3.660 0.110 3 0 "[ . 1 . 2]" 1
614 1 42 ARG H 1 51 GLN QB . . 3.210 2.274 1.902 2.585 . 0 0 "[ . 1 . 2]" 1
615 1 42 ARG H 1 51 GLN HB3 . . 3.550 2.902 1.909 3.619 0.069 10 0 "[ . 1 . 2]" 1
616 1 42 ARG H 1 52 VAL HA . . 4.230 4.063 3.935 4.204 . 0 0 "[ . 1 . 2]" 1
617 1 42 ARG HA 1 42 ARG HG2 . . 4.140 2.731 2.195 3.820 . 0 0 "[ . 1 . 2]" 1
618 1 42 ARG HA 1 42 ARG QG . . 3.890 2.489 2.159 3.360 . 0 0 "[ . 1 . 2]" 1
619 1 42 ARG HA 1 42 ARG HG3 . . 4.140 3.050 2.486 3.735 . 0 0 "[ . 1 . 2]" 1
620 1 42 ARG HA 1 43 ILE H . . 2.770 2.239 2.156 2.403 . 0 0 "[ . 1 . 2]" 1
621 1 42 ARG QB 1 51 GLN H . . 6.310 3.936 3.210 5.194 . 0 0 "[ . 1 . 2]" 1
622 1 42 ARG QG 1 43 ILE H . . 4.710 3.461 2.187 4.375 . 0 0 "[ . 1 . 2]" 1
623 1 42 ARG HG2 1 43 ILE H . . 5.310 3.728 2.217 4.876 . 0 0 "[ . 1 . 2]" 1
624 1 42 ARG HG3 1 43 ILE H . . 5.310 4.362 2.706 5.209 . 0 0 "[ . 1 . 2]" 1
625 1 43 ILE H 1 43 ILE HB . . 3.330 2.666 2.486 2.829 . 0 0 "[ . 1 . 2]" 1
626 1 43 ILE H 1 43 ILE MD . . 5.380 2.933 1.828 4.236 . 0 0 "[ . 1 . 2]" 1
627 1 43 ILE H 1 43 ILE HG12 . . 4.720 4.142 3.041 4.458 . 0 0 "[ . 1 . 2]" 1
628 1 43 ILE H 1 43 ILE QG . . 4.370 3.186 2.609 3.680 . 0 0 "[ . 1 . 2]" 1
629 1 43 ILE H 1 43 ILE HG13 . . 4.720 3.375 2.652 4.313 . 0 0 "[ . 1 . 2]" 1
630 1 43 ILE H 1 44 ALA H . . 5.500 4.373 4.157 4.525 . 0 0 "[ . 1 . 2]" 1
631 1 43 ILE HA 1 43 ILE HG12 . . 3.950 3.227 2.532 3.663 . 0 0 "[ . 1 . 2]" 1
632 1 43 ILE HA 1 43 ILE QG . . 3.640 2.447 2.336 2.932 . 0 0 "[ . 1 . 2]" 1
633 1 43 ILE HA 1 43 ILE HG13 . . 3.950 2.718 2.366 3.756 . 0 0 "[ . 1 . 2]" 1
634 1 43 ILE HA 1 44 ALA H . . 2.740 2.237 2.169 2.304 . 0 0 "[ . 1 . 2]" 1
635 1 43 ILE HA 1 50 ILE HA . . 2.960 3.061 2.481 3.245 0.285 14 0 "[ . 1 . 2]" 1
636 1 43 ILE HA 1 51 GLN H . . 3.580 3.308 2.823 3.583 0.003 12 0 "[ . 1 . 2]" 1
637 1 43 ILE QG 1 44 ALA H . . 6.380 4.211 4.052 4.593 . 0 0 "[ . 1 . 2]" 1
638 1 43 ILE MG 1 44 ALA H . . 5.010 2.551 2.303 3.055 . 0 0 "[ . 1 . 2]" 1
639 1 43 ILE MG 1 44 ALA HA . . 5.470 4.056 3.889 4.349 . 0 0 "[ . 1 . 2]" 1
640 1 43 ILE MG 1 47 GLY H . . 6.000 3.977 3.468 5.313 . 0 0 "[ . 1 . 2]" 1
641 1 43 ILE MG 1 47 GLY HA2 . . 4.980 4.328 2.941 4.916 . 0 0 "[ . 1 . 2]" 1
642 1 43 ILE MG 1 47 GLY QA . . 4.540 4.069 2.898 4.522 . 0 0 "[ . 1 . 2]" 1
643 1 43 ILE MG 1 47 GLY HA3 . . 4.980 5.090 4.361 5.283 0.303 9 0 "[ . 1 . 2]" 1
644 1 43 ILE MG 1 48 ASP H . . 6.430 4.581 4.101 5.489 . 0 0 "[ . 1 . 2]" 1
645 1 43 ILE MG 1 48 ASP HA . . 6.530 3.349 1.920 6.461 . 0 0 "[ . 1 . 2]" 1
646 1 43 ILE MG 1 50 ILE HA . . 6.400 3.776 3.319 4.092 . 0 0 "[ . 1 . 2]" 1
647 1 44 ALA H 1 51 GLN H . . 5.030 4.699 4.000 5.115 0.085 15 0 "[ . 1 . 2]" 1
648 1 44 ALA HA 1 45 PRO QD . . 3.590 1.903 1.758 2.092 . 0 0 "[ . 1 . 2]" 1
649 1 44 ALA MB 1 46 LEU H . . 6.430 2.595 2.393 2.799 . 0 0 "[ . 1 . 2]" 1
650 1 44 ALA MB 1 47 GLY H . . 4.880 3.279 2.845 3.674 . 0 0 "[ . 1 . 2]" 1
651 1 44 ALA MB 1 48 ASP H . . 4.110 3.851 2.969 4.207 0.097 5 0 "[ . 1 . 2]" 1
652 1 44 ALA MB 1 50 ILE H . . 6.530 5.779 4.919 6.261 . 0 0 "[ . 1 . 2]" 1
653 1 45 PRO HB2 1 46 LEU H . . 4.040 3.483 3.124 3.848 . 0 0 "[ . 1 . 2]" 1
654 1 46 LEU H 1 46 LEU QB . . 3.880 2.281 2.103 2.467 . 0 0 "[ . 1 . 2]" 1
655 1 46 LEU H 1 46 LEU HG . . 4.910 3.971 2.937 4.454 . 0 0 "[ . 1 . 2]" 1
656 1 46 LEU H 1 47 GLY H . . 3.700 2.587 2.082 3.315 . 0 0 "[ . 1 . 2]" 1
657 1 46 LEU HA 1 46 LEU QD . . 4.120 1.996 1.778 2.925 . 0 0 "[ . 1 . 2]" 1
658 1 46 LEU HA 1 46 LEU HG . . 3.950 3.472 2.461 3.727 . 0 0 "[ . 1 . 2]" 1
659 1 46 LEU HA 1 47 GLY H . . 3.580 3.454 3.380 3.505 . 0 0 "[ . 1 . 2]" 1
660 1 46 LEU QB 1 46 LEU HG . . 2.590 2.213 2.154 2.446 . 0 0 "[ . 1 . 2]" 1
661 1 46 LEU QB 1 47 GLY H . . 4.370 2.688 1.772 3.132 . 0 0 "[ . 1 . 2]" 1
662 1 46 LEU QB 1 48 ASP H . . 3.950 3.214 2.227 3.815 . 0 0 "[ . 1 . 2]" 1
663 1 46 LEU HB2 1 47 GLY H . . 4.820 2.915 2.001 3.541 . 0 0 "[ . 1 . 2]" 1
664 1 46 LEU HB2 1 48 ASP H . . 4.140 3.645 2.302 4.333 0.193 5 0 "[ . 1 . 2]" 1
665 1 46 LEU HB3 1 47 GLY H . . 4.820 3.386 1.926 4.110 . 0 0 "[ . 1 . 2]" 1
666 1 46 LEU HB3 1 48 ASP H . . 4.140 3.753 2.576 4.336 0.196 15 0 "[ . 1 . 2]" 1
667 1 46 LEU QD 1 47 GLY H . . 5.410 3.749 3.219 4.270 . 0 0 "[ . 1 . 2]" 1
668 1 46 LEU MD1 1 47 GLY H . . 5.910 4.451 3.813 4.880 . 0 0 "[ . 1 . 2]" 1
669 1 46 LEU MD2 1 47 GLY H . . 5.910 4.133 3.301 5.129 . 0 0 "[ . 1 . 2]" 1
670 1 46 LEU HG 1 47 GLY H . . 5.500 5.066 4.029 5.536 0.036 20 0 "[ . 1 . 2]" 1
671 1 47 GLY H 1 48 ASP H . . 3.210 2.835 2.454 3.224 0.014 18 0 "[ . 1 . 2]" 1
672 1 47 GLY HA2 1 48 ASP H . . 3.580 3.492 3.304 3.560 . 0 0 "[ . 1 . 2]" 1
673 1 47 GLY HA3 1 48 ASP H . . 3.580 2.579 2.323 3.084 . 0 0 "[ . 1 . 2]" 1
674 1 48 ASP H 1 48 ASP HB2 . . 3.330 3.218 2.072 4.118 0.788 15 4 "[* . * -1 + 2]" 1
675 1 48 ASP H 1 48 ASP HB3 . . 3.580 3.213 2.717 3.562 . 0 0 "[ . 1 . 2]" 1
676 1 48 ASP HA 1 49 PRO HA . . 3.050 4.205 4.020 4.319 1.269 15 20 [**********-***+*****] 1
677 1 49 PRO HA 1 50 ILE H . . 2.830 2.420 2.159 2.715 . 0 0 "[ . 1 . 2]" 1
678 1 49 PRO HA 1 50 ILE MG . . 6.530 5.450 5.244 5.658 . 0 0 "[ . 1 . 2]" 1
679 1 49 PRO HA 1 61 LEU H . . 3.950 4.084 3.566 4.225 0.275 6 0 "[ . 1 . 2]" 1
680 1 49 PRO HA 1 62 ARG HA . . 3.240 2.829 2.463 3.295 0.055 3 0 "[ . 1 . 2]" 1
681 1 49 PRO HA 1 63 ARG H . . 4.290 4.334 3.953 4.480 0.190 1 0 "[ . 1 . 2]" 1
682 1 49 PRO HB2 1 50 ILE H . . 3.110 2.748 2.107 3.293 0.183 3 0 "[ . 1 . 2]" 1
683 1 49 PRO HB3 1 50 ILE H . . 3.420 3.382 2.926 3.682 0.262 11 0 "[ . 1 . 2]" 1
684 1 49 PRO QD 1 50 ILE H . . 5.590 4.458 4.211 4.715 . 0 0 "[ . 1 . 2]" 1
685 1 50 ILE H 1 50 ILE HB . . 3.020 2.770 2.573 2.970 . 0 0 "[ . 1 . 2]" 1
686 1 50 ILE H 1 50 ILE MD . . 4.700 3.950 2.159 4.446 . 0 0 "[ . 1 . 2]" 1
687 1 50 ILE H 1 50 ILE HG12 . . 4.600 4.017 3.740 4.429 . 0 0 "[ . 1 . 2]" 1
688 1 50 ILE H 1 50 ILE QG . . 4.070 2.888 2.499 3.554 . 0 0 "[ . 1 . 2]" 1
689 1 50 ILE H 1 50 ILE HG13 . . 4.600 2.966 2.538 3.742 . 0 0 "[ . 1 . 2]" 1
690 1 50 ILE H 1 51 GLN H . . 5.220 4.067 3.717 4.434 . 0 0 "[ . 1 . 2]" 1
691 1 50 ILE H 1 60 ALA HA . . 3.670 3.665 3.406 3.744 0.074 7 0 "[ . 1 . 2]" 1
692 1 50 ILE H 1 61 LEU H . . 3.800 2.334 2.032 3.027 . 0 0 "[ . 1 . 2]" 1
693 1 50 ILE H 1 61 LEU HG . . 4.570 3.527 2.731 4.389 . 0 0 "[ . 1 . 2]" 1
694 1 50 ILE HA 1 50 ILE MD . . 4.640 3.802 3.226 3.886 . 0 0 "[ . 1 . 2]" 1
695 1 50 ILE HA 1 50 ILE HG12 . . 4.010 2.667 2.496 3.608 . 0 0 "[ . 1 . 2]" 1
696 1 50 ILE HA 1 50 ILE QG . . 3.790 2.441 2.364 2.565 . 0 0 "[ . 1 . 2]" 1
697 1 50 ILE HA 1 50 ILE HG13 . . 4.010 3.014 2.397 3.276 . 0 0 "[ . 1 . 2]" 1
698 1 50 ILE HA 1 51 GLN H . . 2.740 2.152 2.070 2.208 . 0 0 "[ . 1 . 2]" 1
699 1 50 ILE HB 1 50 ILE MD . . 3.430 2.418 2.254 2.467 . 0 0 "[ . 1 . 2]" 1
700 1 50 ILE HB 1 51 GLN H . . 4.850 4.285 3.994 4.457 . 0 0 "[ . 1 . 2]" 1
701 1 50 ILE MD 1 51 GLN H . . 6.340 5.244 4.912 5.468 . 0 0 "[ . 1 . 2]" 1
702 1 50 ILE HG12 1 51 GLN H . . 5.500 4.648 4.340 5.554 0.054 2 0 "[ . 1 . 2]" 1
703 1 50 ILE HG13 1 51 GLN H . . 5.500 5.041 4.500 5.218 . 0 0 "[ . 1 . 2]" 1
704 1 50 ILE MG 1 51 GLN H . . 4.330 2.991 2.404 3.301 . 0 0 "[ . 1 . 2]" 1
705 1 51 GLN H 1 51 GLN HB2 . . 3.450 2.402 2.289 2.793 . 0 0 "[ . 1 . 2]" 1
706 1 51 GLN H 1 51 GLN QB . . 3.280 2.303 2.220 2.432 . 0 0 "[ . 1 . 2]" 1
707 1 51 GLN H 1 51 GLN HB3 . . 3.450 3.200 2.428 3.588 0.138 8 0 "[ . 1 . 2]" 1
708 1 51 GLN H 1 51 GLN HG2 . . 5.500 4.077 2.800 4.648 . 0 0 "[ . 1 . 2]" 1
709 1 51 GLN H 1 51 GLN QG . . 5.100 3.326 2.258 4.083 . 0 0 "[ . 1 . 2]" 1
710 1 51 GLN H 1 51 GLN HG3 . . 5.500 3.657 2.292 4.577 . 0 0 "[ . 1 . 2]" 1
711 1 51 GLN H 1 52 VAL H . . 4.790 4.384 4.291 4.446 . 0 0 "[ . 1 . 2]" 1
712 1 51 GLN HA 1 52 VAL H . . 2.520 2.147 2.101 2.193 . 0 0 "[ . 1 . 2]" 1
713 1 51 GLN HA 1 59 LEU H . . 5.380 4.181 3.756 4.551 . 0 0 "[ . 1 . 2]" 1
714 1 51 GLN QG 1 52 VAL H . . 4.740 3.776 3.015 4.533 . 0 0 "[ . 1 . 2]" 1
715 1 51 GLN HG2 1 52 VAL H . . 5.220 4.398 3.261 5.304 0.084 16 0 "[ . 1 . 2]" 1
716 1 51 GLN HG3 1 52 VAL H . . 5.220 4.394 3.052 5.371 0.151 1 0 "[ . 1 . 2]" 1
717 1 52 VAL H 1 52 VAL HB . . 4.110 3.828 3.779 3.873 . 0 0 "[ . 1 . 2]" 1
718 1 52 VAL H 1 52 VAL MG1 . . 4.230 3.062 2.840 3.263 . 0 0 "[ . 1 . 2]" 1
719 1 52 VAL H 1 52 VAL QG . . 3.640 2.152 2.052 2.251 . 0 0 "[ . 1 . 2]" 1
720 1 52 VAL H 1 52 VAL MG2 . . 4.230 2.200 2.092 2.294 . 0 0 "[ . 1 . 2]" 1
721 1 52 VAL H 1 53 GLU H . . 5.410 4.423 4.395 4.462 . 0 0 "[ . 1 . 2]" 1
722 1 52 VAL H 1 59 LEU H . . 3.330 2.713 2.439 2.936 . 0 0 "[ . 1 . 2]" 1
723 1 52 VAL H 1 59 LEU HA . . 4.540 4.610 4.558 4.671 0.131 1 0 "[ . 1 . 2]" 1
724 1 52 VAL HA 1 52 VAL HB . . 2.770 2.489 2.450 2.526 . 0 0 "[ . 1 . 2]" 1
725 1 52 VAL HA 1 53 GLU H . . 2.560 2.461 2.341 2.597 0.037 17 0 "[ . 1 . 2]" 1
726 1 52 VAL HB 1 53 GLU H . . 2.990 2.202 1.982 2.435 . 0 0 "[ . 1 . 2]" 1
727 1 52 VAL QG 1 53 GLU H . . 4.180 3.035 2.856 3.167 . 0 0 "[ . 1 . 2]" 1
728 1 52 VAL QG 1 54 THR H . . 7.680 4.502 4.059 4.896 . 0 0 "[ . 1 . 2]" 1
729 1 52 VAL MG1 1 53 GLU H . . 4.820 3.509 3.386 3.625 . 0 0 "[ . 1 . 2]" 1
730 1 52 VAL MG2 1 53 GLU H . . 4.820 3.338 3.010 3.590 . 0 0 "[ . 1 . 2]" 1
731 1 53 GLU H 1 53 GLU HB2 . . 3.270 3.029 2.667 3.293 0.023 8 0 "[ . 1 . 2]" 1
732 1 53 GLU H 1 53 GLU QB . . 3.070 2.525 2.346 2.705 . 0 0 "[ . 1 . 2]" 1
733 1 53 GLU H 1 53 GLU HB3 . . 3.270 2.740 2.443 3.113 . 0 0 "[ . 1 . 2]" 1
734 1 53 GLU HA 1 54 THR H . . 2.620 2.214 2.142 2.360 . 0 0 "[ . 1 . 2]" 1
735 1 53 GLU HA 1 58 SER HA . . 3.270 2.344 1.842 3.095 . 0 0 "[ . 1 . 2]" 1
736 1 53 GLU QB 1 54 THR H . . 4.120 3.627 3.213 3.814 . 0 0 "[ . 1 . 2]" 1
737 1 53 GLU HB2 1 54 THR H . . 4.290 4.206 4.019 4.323 0.033 11 0 "[ . 1 . 2]" 1
738 1 53 GLU HB3 1 54 THR H . . 4.290 3.987 3.343 4.275 . 0 0 "[ . 1 . 2]" 1
739 1 53 GLU QG 1 54 THR H . . 5.940 2.822 2.316 3.285 . 0 0 "[ . 1 . 2]" 1
740 1 54 THR H 1 54 THR MG . . 4.540 3.073 1.975 3.886 . 0 0 "[ . 1 . 2]" 1
741 1 54 THR H 1 55 ARG H . . 3.760 2.318 1.869 2.917 . 0 0 "[ . 1 . 2]" 1
742 1 54 THR H 1 57 THR H . . 3.610 3.518 3.036 3.738 0.128 3 0 "[ . 1 . 2]" 1
743 1 54 THR HA 1 55 ARG H . . 3.490 3.429 2.928 3.550 0.060 10 0 "[ . 1 . 2]" 1
744 1 54 THR HB 1 55 ARG H . . 4.290 3.282 1.736 4.374 0.084 8 0 "[ . 1 . 2]" 1
745 1 54 THR MG 1 55 ARG H . . 6.000 3.445 1.874 4.355 . 0 0 "[ . 1 . 2]" 1
746 1 55 ARG H 1 55 ARG QB . . 3.860 3.045 2.702 3.420 . 0 0 "[ . 1 . 2]" 1
747 1 55 ARG H 1 55 ARG HG2 . . 5.500 4.290 2.490 5.287 . 0 0 "[ . 1 . 2]" 1
748 1 55 ARG H 1 55 ARG HG3 . . 5.500 4.407 3.063 5.369 . 0 0 "[ . 1 . 2]" 1
749 1 55 ARG H 1 56 GLN H . . 3.890 2.144 1.717 2.999 . 0 0 "[ . 1 . 2]" 1
750 1 55 ARG HA 1 55 ARG HG2 . . 4.140 3.039 2.217 3.855 . 0 0 "[ . 1 . 2]" 1
751 1 55 ARG HA 1 55 ARG QG . . 3.730 2.649 2.194 3.361 . 0 0 "[ . 1 . 2]" 1
752 1 55 ARG HA 1 55 ARG HG3 . . 4.140 3.134 2.506 3.827 . 0 0 "[ . 1 . 2]" 1
753 1 55 ARG HB2 1 56 GLN H . . 5.160 3.795 2.067 4.506 . 0 0 "[ . 1 . 2]" 1
754 1 55 ARG HB3 1 56 GLN H . . 5.160 3.266 2.053 4.596 . 0 0 "[ . 1 . 2]" 1
755 1 56 GLN H 1 56 GLN QE . . 6.370 4.876 3.915 5.741 . 0 0 "[ . 1 . 2]" 1
756 1 56 GLN H 1 57 THR H . . 3.520 2.033 1.716 2.492 . 0 0 "[ . 1 . 2]" 1
757 1 56 GLN HA 1 57 THR H . . 3.580 3.496 3.190 3.573 . 0 0 "[ . 1 . 2]" 1
758 1 56 GLN QB 1 57 THR H . . 3.760 2.695 1.886 3.468 . 0 0 "[ . 1 . 2]" 1
759 1 56 GLN HB2 1 57 THR H . . 4.010 3.435 2.368 4.020 0.010 4 0 "[ . 1 . 2]" 1
760 1 56 GLN HB3 1 57 THR H . . 4.010 3.081 1.895 4.177 0.167 1 0 "[ . 1 . 2]" 1
761 1 56 GLN QE 1 57 THR H . . 6.370 5.006 4.061 5.943 . 0 0 "[ . 1 . 2]" 1
762 1 56 GLN QG 1 57 THR H . . 6.380 3.929 1.954 4.947 . 0 0 "[ . 1 . 2]" 1
763 1 57 THR H 1 57 THR HB . . 3.580 3.126 2.686 3.470 . 0 0 "[ . 1 . 2]" 1
764 1 57 THR H 1 57 THR MG . . 4.050 2.534 1.920 3.971 . 0 0 "[ . 1 . 2]" 1
765 1 57 THR H 1 58 SER H . . 5.500 4.397 4.116 4.553 . 0 0 "[ . 1 . 2]" 1
766 1 57 THR HA 1 58 SER H . . 2.620 2.312 2.144 2.630 0.010 18 0 "[ . 1 . 2]" 1
767 1 57 THR HB 1 58 SER H . . 4.940 3.923 3.654 4.164 . 0 0 "[ . 1 . 2]" 1
768 1 57 THR MG 1 58 SER H . . 5.290 3.352 2.410 3.959 . 0 0 "[ . 1 . 2]" 1
769 1 57 THR MG 1 58 SER HA . . 6.190 4.120 3.915 4.393 . 0 0 "[ . 1 . 2]" 1
770 1 58 SER H 1 58 SER HB2 . . 4.040 2.792 2.492 3.603 . 0 0 "[ . 1 . 2]" 1
771 1 58 SER H 1 58 SER QB . . 3.760 2.585 2.387 3.047 . 0 0 "[ . 1 . 2]" 1
772 1 58 SER H 1 58 SER HB3 . . 4.040 3.455 2.546 3.724 . 0 0 "[ . 1 . 2]" 1
773 1 58 SER HA 1 59 LEU H . . 2.560 2.207 2.102 2.340 . 0 0 "[ . 1 . 2]" 1
774 1 58 SER QB 1 59 LEU H . . 3.630 2.910 2.595 3.491 . 0 0 "[ . 1 . 2]" 1
775 1 58 SER HB2 1 59 LEU H . . 3.860 3.712 2.805 3.979 0.119 11 0 "[ . 1 . 2]" 1
776 1 58 SER HB3 1 59 LEU H . . 3.860 3.191 2.655 3.936 0.076 10 0 "[ . 1 . 2]" 1
777 1 59 LEU H 1 59 LEU HB2 . . 3.700 2.795 2.492 3.285 . 0 0 "[ . 1 . 2]" 1
778 1 59 LEU H 1 59 LEU HB3 . . 3.700 3.298 2.587 3.759 0.059 6 0 "[ . 1 . 2]" 1
779 1 59 LEU H 1 59 LEU HG . . 4.880 4.260 3.557 4.935 0.055 1 0 "[ . 1 . 2]" 1
780 1 59 LEU H 1 60 ALA H . . 4.820 4.413 4.337 4.465 . 0 0 "[ . 1 . 2]" 1
781 1 59 LEU H 1 60 ALA MB . . 6.530 4.938 4.706 5.205 . 0 0 "[ . 1 . 2]" 1
782 1 59 LEU HA 1 60 ALA H . . 2.620 2.338 2.196 2.530 . 0 0 "[ . 1 . 2]" 1
783 1 59 LEU QB 1 60 ALA H . . 3.650 2.807 2.071 3.567 . 0 0 "[ . 1 . 2]" 1
784 1 59 LEU HB2 1 60 ALA H . . 3.980 3.838 3.465 4.121 0.141 1 0 "[ . 1 . 2]" 1
785 1 59 LEU HB3 1 60 ALA H . . 3.980 2.969 2.087 3.997 0.017 5 0 "[ . 1 . 2]" 1
786 1 59 LEU QD 1 60 ALA H . . 5.410 2.676 1.761 3.992 . 0 0 "[ . 1 . 2]" 1
787 1 59 LEU MD1 1 60 ALA H . . 6.090 3.371 1.992 4.721 . 0 0 "[ . 1 . 2]" 1
788 1 59 LEU MD2 1 60 ALA H . . 6.090 3.562 1.911 4.546 . 0 0 "[ . 1 . 2]" 1
789 1 59 LEU HG 1 60 ALA H . . 4.140 3.555 2.075 4.326 0.186 2 0 "[ . 1 . 2]" 1
790 1 60 ALA H 1 60 ALA MB . . 3.580 2.571 2.400 2.695 . 0 0 "[ . 1 . 2]" 1
791 1 60 ALA H 1 61 LEU H . . 4.910 4.334 4.005 4.481 . 0 0 "[ . 1 . 2]" 1
792 1 60 ALA HA 1 61 LEU H . . 2.770 2.235 2.136 2.389 . 0 0 "[ . 1 . 2]" 1
793 1 60 ALA MB 1 61 LEU H . . 4.390 2.877 2.444 3.296 . 0 0 "[ . 1 . 2]" 1
794 1 61 LEU H 1 61 LEU HB2 . . 4.110 3.879 3.664 4.015 . 0 0 "[ . 1 . 2]" 1
795 1 61 LEU H 1 61 LEU HB3 . . 4.110 3.398 3.005 3.593 . 0 0 "[ . 1 . 2]" 1
796 1 61 LEU H 1 61 LEU MD1 . . 4.820 3.591 3.055 4.431 . 0 0 "[ . 1 . 2]" 1
797 1 61 LEU H 1 61 LEU QD . . 4.490 2.853 2.035 3.323 . 0 0 "[ . 1 . 2]" 1
798 1 61 LEU H 1 61 LEU MD2 . . 4.820 3.321 2.041 4.055 . 0 0 "[ . 1 . 2]" 1
799 1 61 LEU H 1 61 LEU HG . . 4.070 2.463 1.763 3.229 . 0 0 "[ . 1 . 2]" 1
800 1 61 LEU HA 1 61 LEU HB2 . . 3.020 2.483 2.414 2.556 . 0 0 "[ . 1 . 2]" 1
801 1 61 LEU HA 1 61 LEU HB3 . . 3.020 2.398 2.326 2.469 . 0 0 "[ . 1 . 2]" 1
802 1 61 LEU HA 1 62 ARG H . . 2.710 2.427 2.091 2.700 . 0 0 "[ . 1 . 2]" 1
803 1 61 LEU QB 1 62 ARG H . . 3.920 2.452 2.048 3.138 . 0 0 "[ . 1 . 2]" 1
804 1 61 LEU QB 1 65 ASP QB . . 4.790 2.308 1.749 3.156 . 0 0 "[ . 1 . 2]" 1
805 1 61 LEU HB2 1 61 LEU HG . . 2.870 2.868 2.578 2.983 0.113 7 0 "[ . 1 . 2]" 1
806 1 61 LEU HB2 1 62 ARG H . . 4.110 2.493 2.060 3.280 . 0 0 "[ . 1 . 2]" 1
807 1 61 LEU HB2 1 65 ASP HB2 . . 5.820 2.835 1.788 4.946 . 0 0 "[ . 1 . 2]" 1
808 1 61 LEU HB2 1 65 ASP HB3 . . 5.820 2.894 1.890 3.943 . 0 0 "[ . 1 . 2]" 1
809 1 61 LEU HB3 1 61 LEU HG . . 2.870 2.741 2.590 2.994 0.124 4 0 "[ . 1 . 2]" 1
810 1 61 LEU HB3 1 62 ARG H . . 4.110 3.750 3.510 4.067 . 0 0 "[ . 1 . 2]" 1
811 1 61 LEU HB3 1 65 ASP HB2 . . 5.820 4.380 3.355 5.834 0.014 20 0 "[ . 1 . 2]" 1
812 1 61 LEU HB3 1 65 ASP HB3 . . 5.820 4.183 3.443 5.250 . 0 0 "[ . 1 . 2]" 1
813 1 61 LEU QD 1 62 ARG H . . 7.260 3.310 2.745 3.992 . 0 0 "[ . 1 . 2]" 1
814 1 61 LEU QD 1 63 ARG H . . 7.600 4.827 4.294 5.714 . 0 0 "[ . 1 . 2]" 1
815 1 61 LEU QD 1 65 ASP H . . 7.350 4.251 3.716 5.409 . 0 0 "[ . 1 . 2]" 1
816 1 61 LEU QD 1 65 ASP QB . . 6.410 2.549 1.801 4.074 . 0 0 "[ . 1 . 2]" 1
817 1 61 LEU MD1 1 65 ASP HB2 . . 8.520 3.219 1.845 5.851 . 0 0 "[ . 1 . 2]" 1
818 1 61 LEU MD1 1 65 ASP HB3 . . 8.520 3.215 1.972 4.369 . 0 0 "[ . 1 . 2]" 1
819 1 61 LEU MD2 1 65 ASP HB2 . . 8.520 4.639 3.059 6.738 . 0 0 "[ . 1 . 2]" 1
820 1 61 LEU MD2 1 65 ASP HB3 . . 8.520 4.248 2.959 5.492 . 0 0 "[ . 1 . 2]" 1
821 1 61 LEU HG 1 62 ARG H . . 4.720 4.327 3.108 4.919 0.199 20 0 "[ . 1 . 2]" 1
822 1 62 ARG H 1 62 ARG HB2 . . 3.800 2.448 2.203 2.807 . 0 0 "[ . 1 . 2]" 1
823 1 62 ARG H 1 62 ARG QB . . 3.360 2.411 2.181 2.740 . 0 0 "[ . 1 . 2]" 1
824 1 62 ARG H 1 62 ARG HB3 . . 3.800 3.644 3.504 3.821 0.021 6 0 "[ . 1 . 2]" 1
825 1 62 ARG H 1 62 ARG HG2 . . 4.040 3.537 2.589 4.173 0.133 8 0 "[ . 1 . 2]" 1
826 1 62 ARG H 1 62 ARG QG . . 3.560 3.173 2.541 3.669 0.109 8 0 "[ . 1 . 2]" 1
827 1 62 ARG H 1 62 ARG HG3 . . 4.040 3.879 3.504 4.130 0.090 11 0 "[ . 1 . 2]" 1
828 1 62 ARG H 1 63 ARG H . . 4.760 4.492 4.341 4.600 . 0 0 "[ . 1 . 2]" 1
829 1 62 ARG H 1 65 ASP H . . 4.480 3.591 3.143 4.150 . 0 0 "[ . 1 . 2]" 1
830 1 62 ARG H 1 65 ASP HB2 . . 4.350 2.830 2.325 3.573 . 0 0 "[ . 1 . 2]" 1
831 1 62 ARG H 1 65 ASP QB . . 3.860 2.585 1.882 2.986 . 0 0 "[ . 1 . 2]" 1
832 1 62 ARG H 1 65 ASP HB3 . . 4.350 3.561 1.937 4.408 0.058 15 0 "[ . 1 . 2]" 1
833 1 62 ARG HA 1 62 ARG HD2 . . 3.860 3.097 2.067 3.974 0.114 2 0 "[ . 1 . 2]" 1
834 1 62 ARG HA 1 62 ARG QD . . 3.330 2.553 1.797 3.287 . 0 0 "[ . 1 . 2]" 1
835 1 62 ARG HA 1 62 ARG HD3 . . 3.860 3.162 1.807 4.117 0.257 9 0 "[ . 1 . 2]" 1
836 1 62 ARG HA 1 62 ARG HG2 . . 3.760 3.316 2.601 3.757 . 0 0 "[ . 1 . 2]" 1
837 1 62 ARG HA 1 62 ARG HG3 . . 3.760 3.029 2.373 3.813 0.053 6 0 "[ . 1 . 2]" 1
838 1 62 ARG HA 1 63 ARG H . . 3.490 2.416 2.203 2.535 . 0 0 "[ . 1 . 2]" 1
839 1 62 ARG QB 1 63 ARG H . . 3.560 2.187 1.927 2.504 . 0 0 "[ . 1 . 2]" 1
840 1 62 ARG QB 1 64 LYS H . . 4.610 2.535 2.240 3.002 . 0 0 "[ . 1 . 2]" 1
841 1 62 ARG QB 1 65 ASP H . . 4.770 2.788 2.389 3.278 . 0 0 "[ . 1 . 2]" 1
842 1 62 ARG HB2 1 63 ARG H . . 3.730 3.488 2.832 3.816 0.086 15 0 "[ . 1 . 2]" 1
843 1 62 ARG HB3 1 63 ARG H . . 3.730 2.211 1.961 2.539 . 0 0 "[ . 1 . 2]" 1
844 1 62 ARG HG2 1 63 ARG H . . 4.350 4.451 4.214 4.644 0.294 1 0 "[ . 1 . 2]" 1
845 1 62 ARG HG3 1 63 ARG H . . 4.350 4.117 3.519 4.503 0.153 11 0 "[ . 1 . 2]" 1
846 1 63 ARG H 1 63 ARG HB2 . . 3.670 3.183 2.249 3.633 . 0 0 "[ . 1 . 2]" 1
847 1 63 ARG H 1 63 ARG HB3 . . 3.670 2.913 2.433 3.618 . 0 0 "[ . 1 . 2]" 1
848 1 63 ARG H 1 63 ARG HG2 . . 4.140 2.626 1.847 3.969 . 0 0 "[ . 1 . 2]" 1
849 1 63 ARG H 1 63 ARG QG . . 3.920 2.217 1.782 2.823 . 0 0 "[ . 1 . 2]" 1
850 1 63 ARG H 1 63 ARG HG3 . . 4.140 3.073 1.790 3.785 . 0 0 "[ . 1 . 2]" 1
851 1 63 ARG H 1 64 LYS H . . 3.760 2.708 2.410 3.153 . 0 0 "[ . 1 . 2]" 1
852 1 63 ARG HA 1 63 ARG HG2 . . 4.260 3.432 2.330 4.196 . 0 0 "[ . 1 . 2]" 1
853 1 63 ARG HA 1 63 ARG QG . . 3.750 3.061 2.243 3.420 . 0 0 "[ . 1 . 2]" 1
854 1 63 ARG HA 1 63 ARG HG3 . . 4.260 3.561 2.453 3.955 . 0 0 "[ . 1 . 2]" 1
855 1 63 ARG HA 1 65 ASP H . . 4.600 4.425 4.066 4.628 0.028 16 0 "[ . 1 . 2]" 1
856 1 63 ARG HA 1 66 LEU H . . 3.890 3.329 2.983 3.563 . 0 0 "[ . 1 . 2]" 1
857 1 63 ARG HA 1 66 LEU HB2 . . 3.300 3.083 2.750 3.378 0.078 20 0 "[ . 1 . 2]" 1
858 1 63 ARG HA 1 66 LEU QB . . 3.080 2.345 1.955 2.797 . 0 0 "[ . 1 . 2]" 1
859 1 63 ARG HA 1 66 LEU HB3 . . 3.300 2.440 1.984 2.994 . 0 0 "[ . 1 . 2]" 1
860 1 63 ARG HA 1 67 ALA H . . 4.320 4.081 3.835 4.370 0.050 4 0 "[ . 1 . 2]" 1
861 1 63 ARG HB2 1 64 LYS H . . 3.860 3.395 2.336 3.905 0.045 1 0 "[ . 1 . 2]" 1
862 1 63 ARG HB3 1 64 LYS H . . 3.860 3.824 3.183 4.128 0.268 14 0 "[ . 1 . 2]" 1
863 1 63 ARG QG 1 64 LYS H . . 4.420 2.887 1.873 4.389 . 0 0 "[ . 1 . 2]" 1
864 1 63 ARG HG2 1 64 LYS H . . 5.070 3.474 1.933 5.166 0.096 8 0 "[ . 1 . 2]" 1
865 1 63 ARG HG3 1 64 LYS H . . 5.070 3.245 1.884 5.134 0.064 5 0 "[ . 1 . 2]" 1
866 1 64 LYS H 1 64 LYS HB2 . . 3.520 2.525 2.360 2.654 . 0 0 "[ . 1 . 2]" 1
867 1 64 LYS H 1 64 LYS QB . . 3.280 2.294 2.205 2.491 . 0 0 "[ . 1 . 2]" 1
868 1 64 LYS H 1 64 LYS HB3 . . 3.520 2.749 2.443 3.594 0.074 5 0 "[ . 1 . 2]" 1
869 1 64 LYS H 1 64 LYS QD . . 5.260 4.269 3.152 4.695 . 0 0 "[ . 1 . 2]" 1
870 1 64 LYS H 1 64 LYS QG . . 5.140 3.615 2.056 4.026 . 0 0 "[ . 1 . 2]" 1
871 1 64 LYS H 1 65 ASP H . . 3.450 2.711 2.529 2.828 . 0 0 "[ . 1 . 2]" 1
872 1 64 LYS H 1 66 LEU H . . 5.190 3.998 3.894 4.119 . 0 0 "[ . 1 . 2]" 1
873 1 64 LYS HA 1 66 LEU H . . 4.510 4.425 4.255 4.535 0.025 10 0 "[ . 1 . 2]" 1
874 1 64 LYS HA 1 67 ALA H . . 3.550 3.449 3.117 3.612 0.062 8 0 "[ . 1 . 2]" 1
875 1 64 LYS HA 1 67 ALA MB . . 4.360 2.763 2.388 3.017 . 0 0 "[ . 1 . 2]" 1
876 1 64 LYS QB 1 65 ASP H . . 3.570 2.482 2.283 2.683 . 0 0 "[ . 1 . 2]" 1
877 1 64 LYS HB2 1 65 ASP H . . 3.830 3.572 2.317 3.880 0.050 4 0 "[ . 1 . 2]" 1
878 1 64 LYS HB3 1 65 ASP H . . 3.830 2.730 2.404 3.807 . 0 0 "[ . 1 . 2]" 1
879 1 64 LYS QD 1 65 ASP H . . 5.510 4.191 2.970 4.865 . 0 0 "[ . 1 . 2]" 1
880 1 64 LYS QE 1 65 ASP H . . 6.220 5.128 3.226 6.099 . 0 0 "[ . 1 . 2]" 1
881 1 64 LYS QG 1 65 ASP H . . 5.480 3.741 3.235 4.259 . 0 0 "[ . 1 . 2]" 1
882 1 65 ASP H 1 65 ASP HB2 . . 3.490 2.470 2.176 2.627 . 0 0 "[ . 1 . 2]" 1
883 1 65 ASP H 1 65 ASP QB . . 3.250 2.380 2.117 2.564 . 0 0 "[ . 1 . 2]" 1
884 1 65 ASP H 1 65 ASP HB3 . . 3.490 3.259 2.516 3.600 0.110 5 0 "[ . 1 . 2]" 1
885 1 65 ASP H 1 66 LEU H . . 2.830 2.547 2.421 2.709 . 0 0 "[ . 1 . 2]" 1
886 1 65 ASP H 1 67 ALA H . . 4.230 3.975 3.722 4.120 . 0 0 "[ . 1 . 2]" 1
887 1 65 ASP H 1 68 LEU MD1 . . 5.540 4.775 4.211 5.212 . 0 0 "[ . 1 . 2]" 1
888 1 65 ASP HA 1 67 ALA H . . 5.500 4.180 3.948 4.446 . 0 0 "[ . 1 . 2]" 1
889 1 65 ASP HA 1 68 LEU H . . 3.550 3.554 3.324 3.687 0.137 19 0 "[ . 1 . 2]" 1
890 1 65 ASP HA 1 68 LEU MD1 . . 5.410 2.584 1.942 3.262 . 0 0 "[ . 1 . 2]" 1
891 1 65 ASP QB 1 66 LEU H . . 3.510 2.559 2.458 2.762 . 0 0 "[ . 1 . 2]" 1
892 1 65 ASP QB 1 68 LEU MD1 . . 6.380 4.135 3.570 4.907 . 0 0 "[ . 1 . 2]" 1
893 1 65 ASP HB2 1 66 LEU H . . 3.890 2.989 2.506 3.857 . 0 0 "[ . 1 . 2]" 1
894 1 65 ASP HB3 1 66 LEU H . . 3.890 3.326 2.564 3.804 . 0 0 "[ . 1 . 2]" 1
895 1 66 LEU H 1 66 LEU HB2 . . 3.270 2.457 2.327 2.545 . 0 0 "[ . 1 . 2]" 1
896 1 66 LEU H 1 66 LEU QB . . 3.070 2.218 2.184 2.251 . 0 0 "[ . 1 . 2]" 1
897 1 66 LEU H 1 66 LEU HB3 . . 3.270 2.541 2.404 2.735 . 0 0 "[ . 1 . 2]" 1
898 1 66 LEU H 1 66 LEU HG . . 4.720 4.474 4.419 4.517 . 0 0 "[ . 1 . 2]" 1
899 1 66 LEU H 1 67 ALA H . . 3.020 2.641 2.520 2.752 . 0 0 "[ . 1 . 2]" 1
900 1 66 LEU HA 1 68 LEU H . . 4.140 3.830 3.614 4.113 . 0 0 "[ . 1 . 2]" 1
901 1 66 LEU HA 1 69 LEU H . . 3.550 3.492 3.203 3.629 0.079 16 0 "[ . 1 . 2]" 1
902 1 66 LEU HA 1 69 LEU QD . . 5.930 3.155 2.212 3.962 . 0 0 "[ . 1 . 2]" 1
903 1 66 LEU HB2 1 67 ALA H . . 3.890 3.885 3.686 3.951 0.061 18 0 "[ . 1 . 2]" 1
904 1 66 LEU HB3 1 67 ALA H . . 3.890 2.694 2.532 2.879 . 0 0 "[ . 1 . 2]" 1
905 1 66 LEU HG 1 67 ALA H . . 4.260 3.988 3.704 4.289 0.029 3 0 "[ . 1 . 2]" 1
906 1 67 ALA H 1 67 ALA MB . . 3.430 2.242 2.230 2.252 . 0 0 "[ . 1 . 2]" 1
907 1 67 ALA H 1 68 LEU H . . 3.270 2.602 2.530 2.682 . 0 0 "[ . 1 . 2]" 1
908 1 67 ALA H 1 69 LEU QD . . 7.420 5.510 4.980 6.015 . 0 0 "[ . 1 . 2]" 1
909 1 67 ALA HA 1 69 LEU H . . 3.950 3.827 3.506 3.986 0.036 2 0 "[ . 1 . 2]" 1
910 1 67 ALA MB 1 69 LEU H . . 5.850 4.457 4.230 4.598 . 0 0 "[ . 1 . 2]" 1
911 1 68 LEU H 1 68 LEU HB2 . . 3.210 2.470 2.418 2.514 . 0 0 "[ . 1 . 2]" 1
912 1 68 LEU H 1 68 LEU HB3 . . 3.670 3.632 3.602 3.692 0.022 13 0 "[ . 1 . 2]" 1
913 1 68 LEU H 1 68 LEU MD1 . . 4.640 3.745 3.589 3.939 . 0 0 "[ . 1 . 2]" 1
914 1 68 LEU H 1 68 LEU MD2 . . 4.640 3.509 3.368 3.793 . 0 0 "[ . 1 . 2]" 1
915 1 68 LEU H 1 68 LEU HG . . 2.930 2.545 2.335 2.935 0.005 10 0 "[ . 1 . 2]" 1
916 1 68 LEU H 1 69 LEU H . . 2.930 2.311 2.062 2.458 . 0 0 "[ . 1 . 2]" 1
917 1 68 LEU H 1 69 LEU QD . . 6.920 4.465 4.230 4.732 . 0 0 "[ . 1 . 2]" 1
918 1 68 LEU HA 1 68 LEU MD2 . . 4.260 2.014 1.865 2.109 . 0 0 "[ . 1 . 2]" 1
919 1 68 LEU HA 1 68 LEU HG . . 3.730 3.103 2.998 3.181 . 0 0 "[ . 1 . 2]" 1
920 1 68 LEU HB2 1 69 LEU H . . 3.610 3.246 2.934 3.509 . 0 0 "[ . 1 . 2]" 1
921 1 68 LEU HB3 1 69 LEU H . . 4.540 4.100 3.890 4.253 . 0 0 "[ . 1 . 2]" 1
922 1 68 LEU MD1 1 69 LEU H . . 5.750 4.997 4.739 5.217 . 0 0 "[ . 1 . 2]" 1
923 1 68 LEU MD2 1 69 LEU H . . 5.380 4.679 4.593 4.735 . 0 0 "[ . 1 . 2]" 1
924 1 68 LEU HG 1 69 LEU H . . 5.500 4.543 4.336 4.742 . 0 0 "[ . 1 . 2]" 1
925 1 69 LEU H 1 69 LEU HB2 . . 3.050 2.510 2.423 2.583 . 0 0 "[ . 1 . 2]" 1
926 1 69 LEU H 1 69 LEU HB3 . . 3.730 3.686 3.637 3.737 0.007 1 0 "[ . 1 . 2]" 1
927 1 69 LEU H 1 69 LEU MD1 . . 4.730 3.887 3.699 4.051 . 0 0 "[ . 1 . 2]" 1
928 1 69 LEU H 1 69 LEU QD . . 4.400 3.410 3.260 3.558 . 0 0 "[ . 1 . 2]" 1
929 1 69 LEU H 1 69 LEU MD2 . . 4.730 3.779 3.585 3.972 . 0 0 "[ . 1 . 2]" 1
930 1 69 LEU H 1 69 LEU HG . . 3.450 2.875 2.592 3.144 . 0 0 "[ . 1 . 2]" 1
931 1 69 LEU H 1 70 THR H . . 4.970 4.458 4.293 4.520 . 0 0 "[ . 1 . 2]" 1
932 1 69 LEU HA 1 70 THR H . . 2.740 2.208 2.156 2.293 . 0 0 "[ . 1 . 2]" 1
933 1 69 LEU HB2 1 70 THR H . . 4.260 4.115 3.867 4.300 0.040 17 0 "[ . 1 . 2]" 1
934 1 69 LEU HB2 1 71 LEU MD1 . . 5.970 3.361 2.580 4.419 . 0 0 "[ . 1 . 2]" 1
935 1 69 LEU HB2 1 71 LEU MD2 . . 5.810 3.388 2.717 4.589 . 0 0 "[ . 1 . 2]" 1
936 1 69 LEU HB3 1 70 THR H . . 3.450 3.117 2.749 3.449 . 0 0 "[ . 1 . 2]" 1
937 1 69 LEU HB3 1 71 LEU MD2 . . 4.880 2.783 2.329 4.216 . 0 0 "[ . 1 . 2]" 1
938 1 69 LEU QD 1 70 THR H . . 5.740 3.446 3.219 3.630 . 0 0 "[ . 1 . 2]" 1
939 1 69 LEU MD1 1 70 THR H . . 6.310 4.954 4.671 5.180 . 0 0 "[ . 1 . 2]" 1
940 1 69 LEU MD2 1 70 THR H . . 6.310 3.516 3.275 3.715 . 0 0 "[ . 1 . 2]" 1
941 1 70 THR H 1 70 THR HB . . 3.420 2.643 2.588 2.701 . 0 0 "[ . 1 . 2]" 1
942 1 70 THR H 1 70 THR MG . . 4.760 3.827 3.778 3.880 . 0 0 "[ . 1 . 2]" 1
943 1 70 THR HA 1 70 THR HB . . 2.960 3.007 3.002 3.011 0.051 14 0 "[ . 1 . 2]" 1
944 1 70 THR HA 1 71 LEU H . . 2.520 2.114 2.085 2.156 . 0 0 "[ . 1 . 2]" 1
945 1 70 THR HB 1 71 LEU H . . 4.040 4.182 4.137 4.210 0.170 10 0 "[ . 1 . 2]" 1
946 1 70 THR MG 1 71 LEU H . . 4.540 2.909 2.798 2.990 . 0 0 "[ . 1 . 2]" 1
947 1 71 LEU H 1 71 LEU HB2 . . 3.300 2.612 2.498 2.699 . 0 0 "[ . 1 . 2]" 1
948 1 71 LEU H 1 71 LEU HB3 . . 4.010 3.743 3.687 3.796 . 0 0 "[ . 1 . 2]" 1
949 1 71 LEU H 1 71 LEU MD2 . . 5.130 3.698 3.492 4.478 . 0 0 "[ . 1 . 2]" 1
950 1 71 LEU H 1 71 LEU HG . . 5.500 3.005 2.697 4.272 . 0 0 "[ . 1 . 2]" 1
951 1 71 LEU H 1 72 VAL H . . 5.500 4.396 4.312 4.505 . 0 0 "[ . 1 . 2]" 1
952 1 71 LEU HA 1 71 LEU HB3 . . 2.990 2.464 2.426 2.602 . 0 0 "[ . 1 . 2]" 1
953 1 71 LEU HA 1 71 LEU MD2 . . 4.140 2.217 1.949 3.711 . 0 0 "[ . 1 . 2]" 1
954 1 71 LEU HA 1 71 LEU HG . . 4.230 3.131 2.409 3.289 . 0 0 "[ . 1 . 2]" 1
955 1 71 LEU HA 1 72 VAL H . . 2.560 2.166 2.129 2.249 . 0 0 "[ . 1 . 2]" 1
956 1 71 LEU HA 1 72 VAL QG . . 7.000 3.338 3.201 3.433 . 0 0 "[ . 1 . 2]" 1
957 1 71 LEU HB2 1 72 VAL H . . 4.350 4.039 3.870 4.233 . 0 0 "[ . 1 . 2]" 1
958 1 71 LEU HB3 1 72 VAL H . . 3.450 3.065 2.720 3.319 . 0 0 "[ . 1 . 2]" 1
959 1 71 LEU MD1 1 72 VAL H . . 5.910 4.869 4.602 5.088 . 0 0 "[ . 1 . 2]" 1
960 1 71 LEU MD2 1 72 VAL H . . 5.750 3.666 3.389 4.321 . 0 0 "[ . 1 . 2]" 1
961 1 71 LEU HG 1 72 VAL H . . 5.500 5.015 3.813 5.218 . 0 0 "[ . 1 . 2]" 1
962 1 72 VAL H 1 72 VAL HB . . 3.800 3.819 3.728 3.861 0.061 8 0 "[ . 1 . 2]" 1
963 1 72 VAL HA 1 72 VAL HB . . 2.930 2.496 2.446 2.554 . 0 0 "[ . 1 . 2]" 1
964 1 72 VAL QG 1 73 PRO QD . . 6.740 3.056 2.828 3.202 . 0 0 "[ . 1 . 2]" 1
965 1 72 VAL MG1 1 73 PRO HD2 . . 8.150 3.571 3.159 3.868 . 0 0 "[ . 1 . 2]" 1
966 1 72 VAL MG1 1 73 PRO HD3 . . 8.150 3.752 3.332 4.227 . 0 0 "[ . 1 . 2]" 1
967 1 72 VAL MG2 1 73 PRO HD2 . . 8.150 4.191 3.710 4.696 . 0 0 "[ . 1 . 2]" 1
968 1 72 VAL MG2 1 73 PRO HD3 . . 8.150 4.531 4.224 4.855 . 0 0 "[ . 1 . 2]" 1
969 1 73 PRO HA 1 74 LEU H . . 2.680 2.330 2.288 2.404 . 0 0 "[ . 1 . 2]" 1
970 1 73 PRO HB2 1 74 LEU H . . 4.070 3.087 2.781 3.300 . 0 0 "[ . 1 . 2]" 1
971 1 73 PRO QG 1 74 LEU H . . 4.990 4.463 4.300 4.597 . 0 0 "[ . 1 . 2]" 1
972 1 73 PRO HG2 1 74 LEU H . . 5.500 5.022 4.580 5.297 . 0 0 "[ . 1 . 2]" 1
973 1 73 PRO HG3 1 74 LEU H . . 5.500 5.063 4.865 5.252 . 0 0 "[ . 1 . 2]" 1
974 1 74 LEU H 1 74 LEU HB2 . . 3.450 2.448 2.311 2.543 . 0 0 "[ . 1 . 2]" 1
975 1 74 LEU H 1 74 LEU QB . . 3.120 2.408 2.283 2.492 . 0 0 "[ . 1 . 2]" 1
976 1 74 LEU H 1 74 LEU HB3 . . 3.450 3.573 3.546 3.594 0.144 5 0 "[ . 1 . 2]" 1
977 1 74 LEU H 1 74 LEU MD1 . . 5.750 3.688 3.590 3.779 . 0 0 "[ . 1 . 2]" 1
978 1 74 LEU H 1 74 LEU MD2 . . 5.750 3.301 3.079 3.754 . 0 0 "[ . 1 . 2]" 1
979 1 74 LEU H 1 74 LEU HG . . 3.640 2.370 2.155 2.726 . 0 0 "[ . 1 . 2]" 1
980 1 74 LEU H 1 75 ASP H . . 5.100 2.631 2.158 2.980 . 0 0 "[ . 1 . 2]" 1
981 1 74 LEU HA 1 74 LEU HG . . 3.860 3.118 2.986 3.202 . 0 0 "[ . 1 . 2]" 1
982 1 74 LEU QB 1 75 ASP H . . 4.320 2.592 1.855 3.400 . 0 0 "[ . 1 . 2]" 1
983 1 74 LEU HB2 1 75 ASP H . . 5.100 2.663 1.883 3.583 . 0 0 "[ . 1 . 2]" 1
984 1 74 LEU HB3 1 75 ASP H . . 5.100 3.610 2.796 4.227 . 0 0 "[ . 1 . 2]" 1
985 1 74 LEU HG 1 75 ASP H . . 4.790 4.375 4.145 4.794 0.004 9 0 "[ . 1 . 2]" 1
986 1 75 ASP H 1 75 ASP HB2 . . 3.730 3.154 2.482 3.520 . 0 0 "[ . 1 . 2]" 1
987 1 75 ASP H 1 75 ASP QB . . 3.410 2.732 2.424 3.048 . 0 0 "[ . 1 . 2]" 1
988 1 75 ASP H 1 75 ASP HB3 . . 3.730 3.176 2.558 3.784 0.054 16 0 "[ . 1 . 2]" 1
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