NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550802 |
2lqt   |
18328 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqt
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 1082
_Distance_constraint_stats_list.Viol_count 2364
_Distance_constraint_stats_list.Viol_total 1848.535
_Distance_constraint_stats_list.Viol_max 0.227
_Distance_constraint_stats_list.Viol_rms 0.0165
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0391
_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 14 ASN 0.152 0.038 6 0 "[ . 1 . 2]"
1 15 PRO 0.610 0.088 7 0 "[ . 1 . 2]"
1 16 CYS 1.332 0.089 6 0 "[ . 1 . 2]"
1 17 LEU 0.222 0.032 2 0 "[ . 1 . 2]"
1 18 SER 2.763 0.162 2 0 "[ . 1 . 2]"
1 19 GLU 0.009 0.009 5 0 "[ . 1 . 2]"
1 20 SER 2.530 0.162 2 0 "[ . 1 . 2]"
1 21 ASP 0.082 0.038 1 0 "[ . 1 . 2]"
1 22 ALA 0.330 0.051 16 0 "[ . 1 . 2]"
1 23 SER 0.773 0.077 18 0 "[ . 1 . 2]"
1 24 THR 0.256 0.061 19 0 "[ . 1 . 2]"
1 25 ARG 0.693 0.061 19 0 "[ . 1 . 2]"
1 26 CYS 0.490 0.041 16 0 "[ . 1 . 2]"
1 27 LEU 9.501 0.227 16 0 "[ . 1 . 2]"
1 28 ASP 3.456 0.227 16 0 "[ . 1 . 2]"
1 29 GLU 2.568 0.138 10 0 "[ . 1 . 2]"
1 30 ASN 6.008 0.177 10 0 "[ . 1 . 2]"
1 31 ASN 0.071 0.030 16 0 "[ . 1 . 2]"
1 32 TYR 2.142 0.113 2 0 "[ . 1 . 2]"
1 33 ASP 1.703 0.130 10 0 "[ . 1 . 2]"
1 34 ARG 2.057 0.130 10 0 "[ . 1 . 2]"
1 35 GLU 0.750 0.083 5 0 "[ . 1 . 2]"
1 36 ARG 0.443 0.110 12 0 "[ . 1 . 2]"
1 37 CYS 0.070 0.023 16 0 "[ . 1 . 2]"
1 38 SER 0.206 0.042 6 0 "[ . 1 . 2]"
1 39 THR 1.378 0.089 16 0 "[ . 1 . 2]"
1 40 TYR 2.598 0.095 19 0 "[ . 1 . 2]"
1 41 PHE 0.698 0.095 19 0 "[ . 1 . 2]"
1 42 LEU 3.221 0.154 3 0 "[ . 1 . 2]"
1 43 ARG 3.120 0.130 2 0 "[ . 1 . 2]"
1 44 TYR 5.804 0.154 3 0 "[ . 1 . 2]"
1 46 ASN 2.840 0.113 2 0 "[ . 1 . 2]"
1 47 CYS 2.408 0.124 7 0 "[ . 1 . 2]"
1 48 ARG 3.173 0.179 9 0 "[ . 1 . 2]"
1 49 ARG 1.459 0.103 2 0 "[ . 1 . 2]"
1 50 PHE 3.295 0.143 5 0 "[ . 1 . 2]"
1 51 TRP 6.709 0.175 19 0 "[ . 1 . 2]"
1 52 ASN 2.365 0.175 18 0 "[ . 1 . 2]"
1 53 SER 0.766 0.175 18 0 "[ . 1 . 2]"
1 54 ILE 2.059 0.058 18 0 "[ . 1 . 2]"
1 55 VAL 1.451 0.068 7 0 "[ . 1 . 2]"
1 56 MET 0.819 0.078 10 0 "[ . 1 . 2]"
1 57 GLN 1.966 0.104 16 0 "[ . 1 . 2]"
1 58 ARG 2.416 0.112 15 0 "[ . 1 . 2]"
1 59 ARG 4.597 0.112 15 0 "[ . 1 . 2]"
1 60 LYS 2.649 0.102 1 0 "[ . 1 . 2]"
1 61 ASN 4.345 0.107 8 0 "[ . 1 . 2]"
1 62 GLY 0.510 0.048 12 0 "[ . 1 . 2]"
1 63 VAL 2.578 0.100 12 0 "[ . 1 . 2]"
1 64 LYS 2.835 0.113 19 0 "[ . 1 . 2]"
1 65 PRO 1.242 0.055 16 0 "[ . 1 . 2]"
1 66 PHE 4.983 0.120 5 0 "[ . 1 . 2]"
1 67 MET 3.992 0.120 5 0 "[ . 1 . 2]"
1 68 PRO 0.444 0.040 14 0 "[ . 1 . 2]"
1 69 THR 3.247 0.104 13 0 "[ . 1 . 2]"
1 70 ALA 1.679 0.101 6 0 "[ . 1 . 2]"
1 71 ALA 0.072 0.022 4 0 "[ . 1 . 2]"
1 72 GLU 3.400 0.099 13 0 "[ . 1 . 2]"
1 73 ARG 1.558 0.104 13 0 "[ . 1 . 2]"
1 74 ASP 2.109 0.072 13 0 "[ . 1 . 2]"
1 75 GLU 3.368 0.084 10 0 "[ . 1 . 2]"
1 76 ILE 3.807 0.099 13 0 "[ . 1 . 2]"
1 77 LEU 4.146 0.081 6 0 "[ . 1 . 2]"
1 78 ARG 4.567 0.089 14 0 "[ . 1 . 2]"
1 79 ALA 1.239 0.072 7 0 "[ . 1 . 2]"
1 80 VAL 3.091 0.095 20 0 "[ . 1 . 2]"
1 81 GLY 2.383 0.071 18 0 "[ . 1 . 2]"
1 82 ASN 1.904 0.095 20 0 "[ . 1 . 2]"
1 83 MET 3.234 0.110 4 0 "[ . 1 . 2]"
1 84 PRO 3.968 0.175 19 0 "[ . 1 . 2]"
1 85 TYR 5.345 0.110 4 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 14 ASN QD 1 15 PRO QG . . 4.860 4.578 3.860 4.898 0.038 6 0 "[ . 1 . 2]" 1
2 1 15 PRO HD2 1 16 CYS H . . 5.570 5.532 5.087 5.658 0.088 7 0 "[ . 1 . 2]" 1
3 1 16 CYS H 1 17 LEU H . . 4.210 3.880 3.609 4.177 . 0 0 "[ . 1 . 2]" 1
4 1 16 CYS H 1 44 TYR HB2 . . 4.400 4.439 4.359 4.489 0.089 6 0 "[ . 1 . 2]" 1
5 1 16 CYS H 1 44 TYR QE . . 4.900 2.849 1.996 3.674 . 0 0 "[ . 1 . 2]" 1
6 1 16 CYS HA 1 18 SER H . . 5.150 3.594 3.238 3.902 . 0 0 "[ . 1 . 2]" 1
7 1 16 CYS QB 1 44 TYR QD . . 3.720 2.631 2.282 2.943 . 0 0 "[ . 1 . 2]" 1
8 1 16 CYS QB 1 44 TYR QE . . 4.380 4.124 3.717 4.400 0.020 17 0 "[ . 1 . 2]" 1
9 1 17 LEU H 1 17 LEU HB2 . . 3.770 2.273 2.118 2.416 . 0 0 "[ . 1 . 2]" 1
10 1 17 LEU H 1 17 LEU QB . . 3.170 2.246 2.096 2.381 . 0 0 "[ . 1 . 2]" 1
11 1 17 LEU H 1 17 LEU HB3 . . 3.770 3.527 3.349 3.603 . 0 0 "[ . 1 . 2]" 1
12 1 17 LEU H 1 17 LEU QD . . 3.660 2.237 1.974 2.897 . 0 0 "[ . 1 . 2]" 1
13 1 17 LEU H 1 18 SER H . . 3.720 2.821 2.675 3.006 . 0 0 "[ . 1 . 2]" 1
14 1 17 LEU HA 1 17 LEU QD . . 3.520 2.212 1.929 2.860 . 0 0 "[ . 1 . 2]" 1
15 1 17 LEU HA 1 44 TYR QE . . 4.370 3.824 3.136 4.398 0.028 1 0 "[ . 1 . 2]" 1
16 1 17 LEU HB2 1 17 LEU QD . . 3.150 2.325 2.152 2.483 . 0 0 "[ . 1 . 2]" 1
17 1 17 LEU HB2 1 18 SER H . . 3.810 3.071 2.790 3.314 . 0 0 "[ . 1 . 2]" 1
18 1 17 LEU HB3 1 17 LEU QD . . 3.150 2.283 2.204 2.422 . 0 0 "[ . 1 . 2]" 1
19 1 17 LEU HB3 1 18 SER H . . 3.810 3.595 3.262 3.820 0.010 5 0 "[ . 1 . 2]" 1
20 1 17 LEU QD 1 18 SER H . . 4.100 4.059 3.862 4.132 0.032 2 0 "[ . 1 . 2]" 1
21 1 17 LEU QD 1 44 TYR QD . . 4.800 4.445 3.924 4.804 0.004 12 0 "[ . 1 . 2]" 1
22 1 18 SER H 1 18 SER HB2 . . 3.790 2.504 2.270 2.967 . 0 0 "[ . 1 . 2]" 1
23 1 18 SER H 1 18 SER QB . . 2.950 2.455 2.246 2.810 . 0 0 "[ . 1 . 2]" 1
24 1 18 SER H 1 18 SER HB3 . . 3.790 3.588 3.478 3.639 . 0 0 "[ . 1 . 2]" 1
25 1 18 SER H 1 19 GLU H . . 3.300 2.715 2.544 2.923 . 0 0 "[ . 1 . 2]" 1
26 1 18 SER H 1 20 SER H . . 3.770 3.764 3.525 3.836 0.066 11 0 "[ . 1 . 2]" 1
27 1 18 SER HA 1 20 SER H . . 4.900 4.309 4.103 4.550 . 0 0 "[ . 1 . 2]" 1
28 1 18 SER HA 1 21 ASP H . . 3.900 3.489 3.001 3.938 0.038 1 0 "[ . 1 . 2]" 1
29 1 18 SER HA 1 21 ASP HB2 . . 5.600 3.734 2.360 4.689 . 0 0 "[ . 1 . 2]" 1
30 1 18 SER HA 1 21 ASP QB . . 3.670 2.844 2.338 3.480 . 0 0 "[ . 1 . 2]" 1
31 1 18 SER HA 1 22 ALA H . . 4.700 4.250 3.838 4.728 0.028 6 0 "[ . 1 . 2]" 1
32 1 18 SER QB 1 19 GLU H . . 3.730 2.369 2.137 2.521 . 0 0 "[ . 1 . 2]" 1
33 1 18 SER HB2 1 19 GLU H . . 4.260 2.405 2.151 2.563 . 0 0 "[ . 1 . 2]" 1
34 1 18 SER HB2 1 20 SER H . . 4.530 4.636 4.580 4.692 0.162 2 0 "[ . 1 . 2]" 1
35 1 18 SER HB3 1 19 GLU H . . 4.260 3.581 3.208 3.831 . 0 0 "[ . 1 . 2]" 1
36 1 19 GLU H 1 19 GLU QG . . 4.770 3.403 2.156 4.131 . 0 0 "[ . 1 . 2]" 1
37 1 19 GLU H 1 20 SER H . . 3.300 2.502 2.173 2.774 . 0 0 "[ . 1 . 2]" 1
38 1 19 GLU H 1 21 ASP H . . 4.700 4.227 3.913 4.438 . 0 0 "[ . 1 . 2]" 1
39 1 19 GLU HA 1 21 ASP H . . 4.720 4.464 4.173 4.729 0.009 5 0 "[ . 1 . 2]" 1
40 1 19 GLU HA 1 22 ALA H . . 3.900 3.326 2.971 3.744 . 0 0 "[ . 1 . 2]" 1
41 1 19 GLU HA 1 22 ALA MB . . 5.600 2.547 2.244 3.050 . 0 0 "[ . 1 . 2]" 1
42 1 19 GLU HA 1 23 SER H . . 4.700 3.837 3.564 4.022 . 0 0 "[ . 1 . 2]" 1
43 1 19 GLU QB 1 20 SER H . . 4.290 2.781 2.632 2.973 . 0 0 "[ . 1 . 2]" 1
44 1 19 GLU QB 1 44 TYR QB . . 4.900 3.186 2.235 4.226 . 0 0 "[ . 1 . 2]" 1
45 1 19 GLU QB 1 44 TYR QD . . 4.380 3.516 2.851 4.362 . 0 0 "[ . 1 . 2]" 1
46 1 19 GLU HB2 1 20 SER H . . 4.900 3.348 2.712 4.137 . 0 0 "[ . 1 . 2]" 1
47 1 20 SER H 1 20 SER QB . . 3.560 2.410 2.226 2.651 . 0 0 "[ . 1 . 2]" 1
48 1 20 SER H 1 21 ASP H . . 3.300 2.752 2.628 2.966 . 0 0 "[ . 1 . 2]" 1
49 1 20 SER H 1 22 ALA H . . 4.700 4.197 3.971 4.427 . 0 0 "[ . 1 . 2]" 1
50 1 20 SER H 1 44 TYR QD . . 4.100 3.661 3.206 4.112 0.012 19 0 "[ . 1 . 2]" 1
51 1 20 SER H 1 44 TYR QE . . 5.400 4.826 4.086 5.406 0.006 9 0 "[ . 1 . 2]" 1
52 1 20 SER HA 1 22 ALA H . . 4.890 4.573 4.279 4.844 . 0 0 "[ . 1 . 2]" 1
53 1 20 SER HA 1 23 SER H . . 3.900 3.546 3.173 3.846 . 0 0 "[ . 1 . 2]" 1
54 1 20 SER HA 1 23 SER HB2 . . 5.600 3.704 2.800 4.835 . 0 0 "[ . 1 . 2]" 1
55 1 20 SER HA 1 23 SER QB . . 4.870 2.960 2.162 4.079 . 0 0 "[ . 1 . 2]" 1
56 1 20 SER HA 1 24 THR H . . 4.700 3.984 3.797 4.324 . 0 0 "[ . 1 . 2]" 1
57 1 20 SER QB 1 21 ASP H . . 4.180 2.639 2.423 2.865 . 0 0 "[ . 1 . 2]" 1
58 1 20 SER QB 1 44 TYR QD . . 4.530 3.321 2.309 4.478 . 0 0 "[ . 1 . 2]" 1
59 1 20 SER QB 1 44 TYR QE . . 4.690 3.380 2.241 4.256 . 0 0 "[ . 1 . 2]" 1
60 1 20 SER HB2 1 21 ASP H . . 4.900 3.353 2.466 3.994 . 0 0 "[ . 1 . 2]" 1
61 1 21 ASP H 1 21 ASP HB2 . . 3.880 2.523 2.115 2.765 . 0 0 "[ . 1 . 2]" 1
62 1 21 ASP H 1 21 ASP QB . . 3.390 2.198 2.030 2.360 . 0 0 "[ . 1 . 2]" 1
63 1 21 ASP H 1 21 ASP HB3 . . 3.880 2.518 2.147 3.595 . 0 0 "[ . 1 . 2]" 1
64 1 21 ASP H 1 22 ALA H . . 3.300 2.778 2.640 2.899 . 0 0 "[ . 1 . 2]" 1
65 1 21 ASP H 1 22 ALA MB . . 4.690 4.411 4.299 4.536 . 0 0 "[ . 1 . 2]" 1
66 1 21 ASP H 1 23 SER H . . 4.700 4.279 4.007 4.535 . 0 0 "[ . 1 . 2]" 1
67 1 21 ASP HA 1 23 SER H . . 4.900 4.616 4.214 4.842 . 0 0 "[ . 1 . 2]" 1
68 1 21 ASP HA 1 24 THR H . . 3.900 3.329 2.876 3.705 . 0 0 "[ . 1 . 2]" 1
69 1 21 ASP HA 1 24 THR HB . . 5.600 2.560 2.237 2.945 . 0 0 "[ . 1 . 2]" 1
70 1 21 ASP HA 1 25 ARG H . . 4.700 4.034 3.834 4.300 . 0 0 "[ . 1 . 2]" 1
71 1 21 ASP QB 1 22 ALA H . . 3.810 2.643 2.499 2.949 . 0 0 "[ . 1 . 2]" 1
72 1 21 ASP HB2 1 22 ALA H . . 4.570 3.880 2.586 4.221 . 0 0 "[ . 1 . 2]" 1
73 1 21 ASP HB3 1 22 ALA H . . 4.570 2.746 2.527 3.414 . 0 0 "[ . 1 . 2]" 1
74 1 22 ALA H 1 22 ALA MB . . 2.990 2.198 2.142 2.227 . 0 0 "[ . 1 . 2]" 1
75 1 22 ALA H 1 23 SER H . . 3.300 2.765 2.607 2.897 . 0 0 "[ . 1 . 2]" 1
76 1 22 ALA H 1 24 THR H . . 4.700 4.173 3.954 4.350 . 0 0 "[ . 1 . 2]" 1
77 1 22 ALA H 1 40 TYR QE . . 4.910 4.821 4.617 4.953 0.043 9 0 "[ . 1 . 2]" 1
78 1 22 ALA HA 1 24 THR H . . 4.900 4.487 4.255 4.625 . 0 0 "[ . 1 . 2]" 1
79 1 22 ALA HA 1 25 ARG H . . 3.710 3.269 2.897 3.519 . 0 0 "[ . 1 . 2]" 1
80 1 22 ALA HA 1 25 ARG HB2 . . 5.600 2.498 2.199 2.880 . 0 0 "[ . 1 . 2]" 1
81 1 22 ALA HA 1 25 ARG QB . . 3.370 2.467 2.182 2.840 . 0 0 "[ . 1 . 2]" 1
82 1 22 ALA HA 1 25 ARG QD . . 4.360 3.289 2.081 4.411 0.051 16 0 "[ . 1 . 2]" 1
83 1 22 ALA HA 1 26 CYS H . . 4.260 4.037 3.915 4.203 . 0 0 "[ . 1 . 2]" 1
84 1 22 ALA MB 1 23 SER H . . 3.640 2.635 2.442 2.820 . 0 0 "[ . 1 . 2]" 1
85 1 22 ALA MB 1 40 TYR QD . . 3.440 2.717 2.530 2.932 . 0 0 "[ . 1 . 2]" 1
86 1 22 ALA MB 1 40 TYR QE . . 3.610 2.107 1.995 2.253 . 0 0 "[ . 1 . 2]" 1
87 1 23 SER H 1 24 THR H . . 3.300 2.867 2.719 3.012 . 0 0 "[ . 1 . 2]" 1
88 1 23 SER H 1 25 ARG H . . 4.700 4.253 4.004 4.492 . 0 0 "[ . 1 . 2]" 1
89 1 23 SER H 1 40 TYR QE . . 3.820 3.858 3.802 3.897 0.077 18 0 "[ . 1 . 2]" 1
90 1 23 SER HA 1 25 ARG H . . 4.900 4.490 4.290 4.719 . 0 0 "[ . 1 . 2]" 1
91 1 23 SER HA 1 26 CYS H . . 3.900 3.322 2.999 3.695 . 0 0 "[ . 1 . 2]" 1
92 1 23 SER HA 1 26 CYS HB2 . . 5.600 3.540 3.122 4.081 . 0 0 "[ . 1 . 2]" 1
93 1 23 SER HA 1 27 LEU H . . 4.340 3.997 3.771 4.248 . 0 0 "[ . 1 . 2]" 1
94 1 23 SER HA 1 40 TYR QD . . 4.620 3.530 3.120 3.868 . 0 0 "[ . 1 . 2]" 1
95 1 23 SER QB 1 40 TYR HB2 . . 3.440 2.481 2.084 2.928 . 0 0 "[ . 1 . 2]" 1
96 1 23 SER HB2 1 24 THR H . . 4.900 3.767 3.596 4.098 . 0 0 "[ . 1 . 2]" 1
97 1 24 THR H 1 25 ARG H . . 3.300 2.827 2.728 2.968 . 0 0 "[ . 1 . 2]" 1
98 1 24 THR H 1 26 CYS H . . 4.700 4.287 4.140 4.536 . 0 0 "[ . 1 . 2]" 1
99 1 24 THR HA 1 24 THR MG . . 3.470 2.406 2.273 2.505 . 0 0 "[ . 1 . 2]" 1
100 1 24 THR HA 1 26 CYS H . . 4.900 4.572 4.397 4.837 . 0 0 "[ . 1 . 2]" 1
101 1 24 THR HA 1 27 LEU H . . 3.700 3.494 3.199 3.718 0.018 8 0 "[ . 1 . 2]" 1
102 1 24 THR HA 1 27 LEU HB2 . . 5.600 2.535 2.130 2.873 . 0 0 "[ . 1 . 2]" 1
103 1 24 THR HA 1 28 ASP H . . 4.700 3.935 3.544 4.131 . 0 0 "[ . 1 . 2]" 1
104 1 24 THR HB 1 25 ARG H . . 4.850 2.663 2.442 2.950 . 0 0 "[ . 1 . 2]" 1
105 1 24 THR HB 1 25 ARG QB . . 5.090 4.611 3.828 5.120 0.030 3 0 "[ . 1 . 2]" 1
106 1 24 THR HB 1 25 ARG QD . . 4.440 3.967 2.577 4.501 0.061 19 0 "[ . 1 . 2]" 1
107 1 24 THR MG 1 25 ARG H . . 5.010 3.591 3.423 3.894 . 0 0 "[ . 1 . 2]" 1
108 1 24 THR MG 1 28 ASP H . . 4.780 4.107 3.650 4.347 . 0 0 "[ . 1 . 2]" 1
109 1 25 ARG H 1 25 ARG QB . . 3.190 2.341 2.140 2.673 . 0 0 "[ . 1 . 2]" 1
110 1 25 ARG H 1 25 ARG HB3 . . 4.100 3.546 2.878 3.716 . 0 0 "[ . 1 . 2]" 1
111 1 25 ARG H 1 25 ARG QD . . 4.330 3.063 2.325 3.758 . 0 0 "[ . 1 . 2]" 1
112 1 25 ARG H 1 25 ARG QG . . 4.880 2.853 2.182 4.074 . 0 0 "[ . 1 . 2]" 1
113 1 25 ARG H 1 26 CYS H . . 3.300 2.808 2.734 2.963 . 0 0 "[ . 1 . 2]" 1
114 1 25 ARG H 1 27 LEU H . . 4.310 4.277 4.109 4.352 0.042 1 0 "[ . 1 . 2]" 1
115 1 25 ARG HA 1 25 ARG QG . . 3.780 2.622 2.248 3.284 . 0 0 "[ . 1 . 2]" 1
116 1 25 ARG HA 1 27 LEU H . . 4.720 4.533 4.366 4.682 . 0 0 "[ . 1 . 2]" 1
117 1 25 ARG HA 1 28 ASP H . . 3.900 3.547 3.320 3.896 . 0 0 "[ . 1 . 2]" 1
118 1 25 ARG HA 1 28 ASP HB2 . . 5.600 3.572 2.482 4.163 . 0 0 "[ . 1 . 2]" 1
119 1 25 ARG HA 1 28 ASP QB . . 3.610 2.494 2.146 2.796 . 0 0 "[ . 1 . 2]" 1
120 1 25 ARG HA 1 29 GLU H . . 4.850 4.006 3.832 4.133 . 0 0 "[ . 1 . 2]" 1
121 1 25 ARG QB 1 25 ARG QD . . 2.630 2.405 2.075 2.652 0.022 3 0 "[ . 1 . 2]" 1
122 1 25 ARG QB 1 26 CYS H . . 3.410 2.675 2.465 2.944 . 0 0 "[ . 1 . 2]" 1
123 1 25 ARG QB 1 26 CYS HA . . 5.340 4.103 3.927 4.234 . 0 0 "[ . 1 . 2]" 1
124 1 25 ARG QB 1 29 GLU QG . . 4.830 4.240 3.680 4.818 . 0 0 "[ . 1 . 2]" 1
125 1 25 ARG HB2 1 25 ARG QD . . 3.500 2.668 2.188 3.422 . 0 0 "[ . 1 . 2]" 1
126 1 25 ARG HB2 1 26 CYS H . . 3.600 2.836 2.514 3.641 0.041 16 0 "[ . 1 . 2]" 1
127 1 25 ARG HB3 1 25 ARG QD . . 3.500 3.054 2.521 3.511 0.011 13 0 "[ . 1 . 2]" 1
128 1 26 CYS H 1 26 CYS QB . . 3.420 2.241 2.177 2.300 . 0 0 "[ . 1 . 2]" 1
129 1 26 CYS H 1 27 LEU H . . 3.300 2.807 2.696 2.920 . 0 0 "[ . 1 . 2]" 1
130 1 26 CYS H 1 28 ASP H . . 4.700 4.303 4.113 4.555 . 0 0 "[ . 1 . 2]" 1
131 1 26 CYS HA 1 27 LEU H . . 3.550 3.572 3.557 3.584 0.034 5 0 "[ . 1 . 2]" 1
132 1 26 CYS HA 1 28 ASP H . . 4.900 4.641 4.413 4.894 . 0 0 "[ . 1 . 2]" 1
133 1 26 CYS HA 1 30 ASN H . . 4.500 4.129 3.869 4.313 . 0 0 "[ . 1 . 2]" 1
134 1 26 CYS QB 1 27 LEU H . . 4.340 2.549 2.431 2.608 . 0 0 "[ . 1 . 2]" 1
135 1 26 CYS HB2 1 27 LEU H . . 4.900 3.943 3.841 3.978 . 0 0 "[ . 1 . 2]" 1
136 1 27 LEU H 1 27 LEU QD . . 4.370 2.405 2.305 2.529 . 0 0 "[ . 1 . 2]" 1
137 1 27 LEU H 1 27 LEU MD2 . . 4.120 3.431 3.206 3.692 . 0 0 "[ . 1 . 2]" 1
138 1 27 LEU H 1 27 LEU HG . . 4.320 3.993 3.923 4.091 . 0 0 "[ . 1 . 2]" 1
139 1 27 LEU H 1 28 ASP H . . 3.300 2.702 2.584 2.821 . 0 0 "[ . 1 . 2]" 1
140 1 27 LEU H 1 37 CYS QB . . 5.340 4.416 4.185 4.734 . 0 0 "[ . 1 . 2]" 1
141 1 27 LEU HA 1 27 LEU MD1 . . 3.290 2.157 2.096 2.217 . 0 0 "[ . 1 . 2]" 1
142 1 27 LEU HA 1 27 LEU QD . . 3.370 2.145 2.086 2.202 . 0 0 "[ . 1 . 2]" 1
143 1 27 LEU HA 1 27 LEU MD2 . . 3.770 3.780 3.759 3.797 0.027 10 0 "[ . 1 . 2]" 1
144 1 27 LEU QB 1 28 ASP H . . 3.800 2.648 2.546 2.832 . 0 0 "[ . 1 . 2]" 1
145 1 27 LEU QB 1 32 TYR QD . . 3.290 3.066 2.306 3.338 0.048 16 0 "[ . 1 . 2]" 1
146 1 27 LEU QB 1 32 TYR QE . . 4.150 3.614 3.295 4.165 0.015 5 0 "[ . 1 . 2]" 1
147 1 27 LEU HB2 1 28 ASP H . . 4.900 2.802 2.674 3.023 . 0 0 "[ . 1 . 2]" 1
148 1 27 LEU QD 1 32 TYR QD . . 4.340 2.818 2.265 3.202 . 0 0 "[ . 1 . 2]" 1
149 1 27 LEU QD 1 32 TYR QE . . 4.270 2.277 2.087 2.573 . 0 0 "[ . 1 . 2]" 1
150 1 27 LEU QD 1 33 ASP H . . 3.640 3.271 2.380 3.651 0.011 14 0 "[ . 1 . 2]" 1
151 1 27 LEU QD 1 34 ARG HA . . 3.490 2.172 1.918 2.720 . 0 0 "[ . 1 . 2]" 1
152 1 27 LEU QD 1 37 CYS QB . . 4.410 2.128 1.938 2.641 . 0 0 "[ . 1 . 2]" 1
153 1 27 LEU MD1 1 28 ASP H . . 4.830 4.385 4.327 4.455 . 0 0 "[ . 1 . 2]" 1
154 1 27 LEU MD1 1 32 TYR QD . . 3.960 3.933 3.759 4.025 0.065 8 0 "[ . 1 . 2]" 1
155 1 27 LEU MD1 1 33 ASP H . . 3.820 3.320 2.397 3.753 . 0 0 "[ . 1 . 2]" 1
156 1 27 LEU MD1 1 34 ARG HA . . 3.530 2.226 2.020 2.753 . 0 0 "[ . 1 . 2]" 1
157 1 27 LEU MD1 1 35 GLU H . . 4.610 4.644 4.600 4.693 0.083 5 0 "[ . 1 . 2]" 1
158 1 27 LEU MD1 1 37 CYS H . . 4.910 3.586 3.285 4.290 . 0 0 "[ . 1 . 2]" 1
159 1 27 LEU MD1 1 37 CYS QB . . 4.530 2.138 1.944 2.667 . 0 0 "[ . 1 . 2]" 1
160 1 27 LEU MD2 1 34 ARG H . . 4.640 3.981 3.686 4.474 . 0 0 "[ . 1 . 2]" 1
161 1 27 LEU MD2 1 37 CYS QB . . 5.340 3.835 3.600 4.262 . 0 0 "[ . 1 . 2]" 1
162 1 27 LEU HG 1 28 ASP H . . 4.800 4.973 4.912 5.027 0.227 16 0 "[ . 1 . 2]" 1
163 1 27 LEU HG 1 30 ASN HD22 . . 4.400 4.535 4.468 4.577 0.177 10 0 "[ . 1 . 2]" 1
164 1 27 LEU HG 1 32 TYR QD . . 3.380 2.606 2.103 3.117 . 0 0 "[ . 1 . 2]" 1
165 1 27 LEU HG 1 32 TYR QE . . 3.600 3.657 3.604 3.713 0.113 2 0 "[ . 1 . 2]" 1
166 1 27 LEU HG 1 33 ASP H . . 3.930 3.561 2.341 3.956 0.026 6 0 "[ . 1 . 2]" 1
167 1 28 ASP H 1 28 ASP HB2 . . 3.250 2.547 2.372 2.728 . 0 0 "[ . 1 . 2]" 1
168 1 28 ASP H 1 28 ASP QB . . 3.410 2.255 2.146 2.342 . 0 0 "[ . 1 . 2]" 1
169 1 28 ASP H 1 28 ASP HB3 . . 3.950 2.579 2.286 3.626 . 0 0 "[ . 1 . 2]" 1
170 1 28 ASP H 1 29 GLU H . . 3.590 2.824 2.654 2.949 . 0 0 "[ . 1 . 2]" 1
171 1 28 ASP H 1 30 ASN H . . 4.920 4.473 4.254 4.674 . 0 0 "[ . 1 . 2]" 1
172 1 28 ASP QB 1 29 GLU H . . 4.080 2.794 2.467 3.045 . 0 0 "[ . 1 . 2]" 1
173 1 28 ASP HB2 1 29 GLU H . . 4.790 4.016 2.553 4.226 . 0 0 "[ . 1 . 2]" 1
174 1 28 ASP HB3 1 29 GLU H . . 4.790 2.885 2.678 3.264 . 0 0 "[ . 1 . 2]" 1
175 1 29 GLU H 1 29 GLU HB2 . . 3.810 2.048 2.001 2.148 . 0 0 "[ . 1 . 2]" 1
176 1 29 GLU H 1 29 GLU HB3 . . 3.810 3.328 3.241 3.433 . 0 0 "[ . 1 . 2]" 1
177 1 29 GLU H 1 29 GLU HG2 . . 3.960 3.537 3.230 4.098 0.138 10 0 "[ . 1 . 2]" 1
178 1 29 GLU H 1 29 GLU HG3 . . 3.960 3.755 3.075 4.045 0.085 8 0 "[ . 1 . 2]" 1
179 1 29 GLU H 1 30 ASN H . . 3.770 2.849 2.716 3.047 . 0 0 "[ . 1 . 2]" 1
180 1 29 GLU HA 1 29 GLU QG . . 3.350 2.329 2.139 2.500 . 0 0 "[ . 1 . 2]" 1
181 1 29 GLU HB2 1 30 ASN H . . 4.360 2.961 2.681 3.280 . 0 0 "[ . 1 . 2]" 1
182 1 29 GLU HB2 1 30 ASN HD21 . . 5.500 5.368 5.091 5.526 0.026 11 0 "[ . 1 . 2]" 1
183 1 29 GLU HB2 1 30 ASN HD22 . . 4.630 4.568 4.226 4.673 0.043 9 0 "[ . 1 . 2]" 1
184 1 29 GLU HB3 1 30 ASN H . . 4.350 2.835 2.546 3.138 . 0 0 "[ . 1 . 2]" 1
185 1 29 GLU HB3 1 30 ASN HD21 . . 5.150 5.098 4.910 5.179 0.029 11 0 "[ . 1 . 2]" 1
186 1 29 GLU HB3 1 30 ASN HD22 . . 4.600 4.663 4.621 4.697 0.097 7 0 "[ . 1 . 2]" 1
187 1 29 GLU QG 1 30 ASN H . . 5.130 4.411 4.264 4.627 . 0 0 "[ . 1 . 2]" 1
188 1 29 GLU HG3 1 30 ASN H . . 5.480 4.994 4.772 5.321 . 0 0 "[ . 1 . 2]" 1
189 1 30 ASN H 1 30 ASN HB2 . . 3.580 3.666 3.639 3.714 0.134 11 0 "[ . 1 . 2]" 1
190 1 30 ASN H 1 30 ASN QB . . 3.630 3.021 2.924 3.135 . 0 0 "[ . 1 . 2]" 1
191 1 30 ASN H 1 30 ASN QD . . 4.430 2.656 2.358 2.770 . 0 0 "[ . 1 . 2]" 1
192 1 30 ASN H 1 30 ASN HD22 . . 4.460 3.059 2.892 3.214 . 0 0 "[ . 1 . 2]" 1
193 1 30 ASN H 1 31 ASN H . . 4.780 3.565 3.155 4.495 . 0 0 "[ . 1 . 2]" 1
194 1 30 ASN HA 1 30 ASN QD . . 4.500 3.685 3.559 3.786 . 0 0 "[ . 1 . 2]" 1
195 1 30 ASN HA 1 31 ASN QB . . 4.670 3.799 3.378 4.058 . 0 0 "[ . 1 . 2]" 1
196 1 31 ASN HA 1 31 ASN QD . . 4.570 3.790 2.476 4.122 . 0 0 "[ . 1 . 2]" 1
197 1 31 ASN QB 1 31 ASN QD . . 3.030 2.242 2.179 2.367 . 0 0 "[ . 1 . 2]" 1
198 1 31 ASN HB2 1 31 ASN HD22 . . 4.060 3.699 3.518 4.090 0.030 16 0 "[ . 1 . 2]" 1
199 1 31 ASN HB3 1 31 ASN HD22 . . 4.060 3.701 3.530 4.087 0.027 4 0 "[ . 1 . 2]" 1
200 1 32 TYR H 1 32 TYR QD . . 4.180 4.061 3.773 4.243 0.063 1 0 "[ . 1 . 2]" 1
201 1 32 TYR H 1 33 ASP H . . 3.960 2.987 2.777 3.350 . 0 0 "[ . 1 . 2]" 1
202 1 32 TYR HA 1 32 TYR QD . . 3.140 2.663 2.115 2.993 . 0 0 "[ . 1 . 2]" 1
203 1 32 TYR QD 1 34 ARG HB2 . . 4.550 4.263 3.310 4.594 0.044 2 0 "[ . 1 . 2]" 1
204 1 32 TYR QD 1 34 ARG HB3 . . 3.920 2.978 2.362 3.943 0.023 8 0 "[ . 1 . 2]" 1
205 1 32 TYR QE 1 34 ARG HB2 . . 4.800 3.940 2.813 4.778 . 0 0 "[ . 1 . 2]" 1
206 1 32 TYR QE 1 34 ARG HB3 . . 4.570 3.125 2.363 3.941 . 0 0 "[ . 1 . 2]" 1
207 1 33 ASP H 1 33 ASP HB2 . . 3.470 2.437 2.347 2.718 . 0 0 "[ . 1 . 2]" 1
208 1 33 ASP H 1 33 ASP QB . . 2.970 2.286 2.226 2.497 . 0 0 "[ . 1 . 2]" 1
209 1 33 ASP H 1 33 ASP HB3 . . 3.470 2.783 2.527 2.911 . 0 0 "[ . 1 . 2]" 1
210 1 33 ASP H 1 34 ARG H . . 3.500 3.583 3.512 3.630 0.130 10 0 "[ . 1 . 2]" 1
211 1 33 ASP H 1 34 ARG HA . . 5.500 5.248 4.735 5.384 . 0 0 "[ . 1 . 2]" 1
212 1 33 ASP HA 1 34 ARG H . . 2.940 2.371 2.234 2.553 . 0 0 "[ . 1 . 2]" 1
213 1 33 ASP HA 1 34 ARG HA . . 5.230 4.624 4.548 4.692 . 0 0 "[ . 1 . 2]" 1
214 1 33 ASP HA 1 35 GLU H . . 4.390 3.108 2.817 3.546 . 0 0 "[ . 1 . 2]" 1
215 1 33 ASP QB 1 34 ARG H . . 4.170 3.984 3.921 4.089 . 0 0 "[ . 1 . 2]" 1
216 1 33 ASP QB 1 35 GLU H . . 5.050 4.233 3.989 4.602 . 0 0 "[ . 1 . 2]" 1
217 1 33 ASP HB2 1 34 ARG H . . 4.900 4.543 4.447 4.692 . 0 0 "[ . 1 . 2]" 1
218 1 33 ASP HB3 1 34 ARG H . . 4.960 4.409 4.359 4.502 . 0 0 "[ . 1 . 2]" 1
219 1 34 ARG H 1 34 ARG HB2 . . 4.160 3.407 2.220 3.696 . 0 0 "[ . 1 . 2]" 1
220 1 34 ARG H 1 34 ARG HB3 . . 3.730 2.475 2.192 2.967 . 0 0 "[ . 1 . 2]" 1
221 1 34 ARG H 1 34 ARG QD . . 5.340 3.812 2.783 4.542 . 0 0 "[ . 1 . 2]" 1
222 1 34 ARG H 1 34 ARG QG . . 3.790 2.571 2.004 3.878 0.088 8 0 "[ . 1 . 2]" 1
223 1 34 ARG H 1 34 ARG HG3 . . 4.660 3.480 2.015 4.286 . 0 0 "[ . 1 . 2]" 1
224 1 34 ARG H 1 35 GLU H . . 3.300 2.914 2.738 2.992 . 0 0 "[ . 1 . 2]" 1
225 1 34 ARG H 1 35 GLU QB . . 5.210 4.976 4.755 5.143 . 0 0 "[ . 1 . 2]" 1
226 1 34 ARG HA 1 34 ARG QG . . 3.560 3.278 2.206 3.519 . 0 0 "[ . 1 . 2]" 1
227 1 34 ARG HA 1 36 ARG H . . 5.050 4.564 4.073 4.923 . 0 0 "[ . 1 . 2]" 1
228 1 34 ARG HA 1 37 CYS QB . . 4.210 3.168 2.276 3.706 . 0 0 "[ . 1 . 2]" 1
229 1 34 ARG HA 1 38 SER H . . 5.500 4.480 3.871 4.983 . 0 0 "[ . 1 . 2]" 1
230 1 34 ARG HB2 1 35 GLU H . . 4.900 4.295 3.981 4.502 . 0 0 "[ . 1 . 2]" 1
231 1 35 GLU H 1 35 GLU QB . . 3.000 2.448 2.347 2.552 . 0 0 "[ . 1 . 2]" 1
232 1 35 GLU H 1 35 GLU QG . . 3.300 2.697 2.459 2.979 . 0 0 "[ . 1 . 2]" 1
233 1 35 GLU H 1 36 ARG H . . 3.410 2.435 2.257 2.723 . 0 0 "[ . 1 . 2]" 1
234 1 35 GLU H 1 36 ARG HA . . 5.470 5.134 4.971 5.343 . 0 0 "[ . 1 . 2]" 1
235 1 35 GLU H 1 36 ARG QB . . 4.650 4.327 4.089 4.589 . 0 0 "[ . 1 . 2]" 1
236 1 35 GLU H 1 37 CYS H . . 5.060 3.660 3.285 3.997 . 0 0 "[ . 1 . 2]" 1
237 1 35 GLU HA 1 35 GLU QG . . 3.400 2.402 2.205 2.945 . 0 0 "[ . 1 . 2]" 1
238 1 35 GLU HA 1 37 CYS H . . 4.810 4.470 4.093 4.796 . 0 0 "[ . 1 . 2]" 1
239 1 35 GLU QB 1 36 ARG H . . 3.570 2.668 2.361 3.074 . 0 0 "[ . 1 . 2]" 1
240 1 35 GLU QB 1 37 CYS H . . 4.880 4.731 4.524 4.903 0.023 16 0 "[ . 1 . 2]" 1
241 1 35 GLU HB2 1 37 CYS H . . 5.640 5.078 4.839 5.277 . 0 0 "[ . 1 . 2]" 1
242 1 35 GLU QG 1 36 ARG H . . 4.470 4.255 4.134 4.455 . 0 0 "[ . 1 . 2]" 1
243 1 36 ARG H 1 36 ARG QB . . 3.010 2.327 2.174 2.432 . 0 0 "[ . 1 . 2]" 1
244 1 36 ARG H 1 36 ARG HD2 . . 5.140 4.040 2.887 5.005 . 0 0 "[ . 1 . 2]" 1
245 1 36 ARG H 1 36 ARG QD . . 4.480 3.506 2.392 4.459 . 0 0 "[ . 1 . 2]" 1
246 1 36 ARG H 1 36 ARG HD3 . . 5.140 4.008 2.515 5.139 . 0 0 "[ . 1 . 2]" 1
247 1 36 ARG H 1 36 ARG QG . . 3.820 2.965 2.291 3.750 . 0 0 "[ . 1 . 2]" 1
248 1 36 ARG H 1 37 CYS H . . 3.590 2.642 2.200 2.800 . 0 0 "[ . 1 . 2]" 1
249 1 36 ARG HA 1 36 ARG QD . . 3.740 2.903 2.057 3.850 0.110 12 0 "[ . 1 . 2]" 1
250 1 36 ARG HA 1 36 ARG QG . . 3.350 2.498 2.139 2.995 . 0 0 "[ . 1 . 2]" 1
251 1 36 ARG QB 1 37 CYS H . . 4.000 2.765 2.413 3.183 . 0 0 "[ . 1 . 2]" 1
252 1 36 ARG QB 1 37 CYS HA . . 5.030 4.186 3.995 4.473 . 0 0 "[ . 1 . 2]" 1
253 1 37 CYS H 1 37 CYS QB . . 3.620 2.342 2.237 2.465 . 0 0 "[ . 1 . 2]" 1
254 1 37 CYS HA 1 40 TYR QD . . 3.550 2.730 2.259 3.290 . 0 0 "[ . 1 . 2]" 1
255 1 37 CYS HA 1 40 TYR QE . . 4.720 3.345 2.533 4.670 . 0 0 "[ . 1 . 2]" 1
256 1 38 SER H 1 39 THR H . . 3.300 2.662 2.411 2.928 . 0 0 "[ . 1 . 2]" 1
257 1 38 SER H 1 40 TYR H . . 4.700 4.576 4.394 4.722 0.022 10 0 "[ . 1 . 2]" 1
258 1 38 SER HA 1 40 TYR H . . 4.900 4.140 3.694 4.483 . 0 0 "[ . 1 . 2]" 1
259 1 38 SER HA 1 41 PHE H . . 3.900 3.218 2.889 3.539 . 0 0 "[ . 1 . 2]" 1
260 1 38 SER HA 1 41 PHE HB2 . . 5.600 3.355 2.729 3.937 . 0 0 "[ . 1 . 2]" 1
261 1 38 SER HA 1 41 PHE QB . . 4.260 2.700 2.293 3.136 . 0 0 "[ . 1 . 2]" 1
262 1 38 SER HA 1 41 PHE QD . . 3.790 3.171 2.081 3.832 0.042 6 0 "[ . 1 . 2]" 1
263 1 38 SER HA 1 42 LEU H . . 4.700 4.138 3.851 4.336 . 0 0 "[ . 1 . 2]" 1
264 1 38 SER HB2 1 39 THR H . . 4.900 3.725 2.804 4.216 . 0 0 "[ . 1 . 2]" 1
265 1 39 THR H 1 40 TYR H . . 3.300 2.883 2.722 3.078 . 0 0 "[ . 1 . 2]" 1
266 1 39 THR H 1 41 PHE H . . 4.700 4.391 4.164 4.626 . 0 0 "[ . 1 . 2]" 1
267 1 39 THR HA 1 40 TYR QD . . 5.000 5.012 4.839 5.069 0.069 10 0 "[ . 1 . 2]" 1
268 1 39 THR HA 1 41 PHE H . . 4.900 4.604 4.369 4.804 . 0 0 "[ . 1 . 2]" 1
269 1 39 THR HA 1 42 LEU H . . 3.900 3.516 3.129 3.767 . 0 0 "[ . 1 . 2]" 1
270 1 39 THR HA 1 42 LEU HB2 . . 5.600 3.752 3.353 4.051 . 0 0 "[ . 1 . 2]" 1
271 1 39 THR HA 1 42 LEU QB . . 3.190 2.425 2.029 2.678 . 0 0 "[ . 1 . 2]" 1
272 1 39 THR HA 1 42 LEU QD . . 3.210 2.816 2.276 3.223 0.013 6 0 "[ . 1 . 2]" 1
273 1 39 THR HA 1 43 ARG H . . 4.700 4.016 3.766 4.225 . 0 0 "[ . 1 . 2]" 1
274 1 39 THR HB 1 40 TYR H . . 3.880 3.342 2.811 3.955 0.075 15 0 "[ . 1 . 2]" 1
275 1 39 THR HB 1 42 LEU QB . . 5.440 4.653 4.390 4.981 . 0 0 "[ . 1 . 2]" 1
276 1 39 THR MG 1 40 TYR H . . 3.790 3.606 2.245 3.879 0.089 16 0 "[ . 1 . 2]" 1
277 1 39 THR MG 1 40 TYR QE . . 4.840 4.446 2.781 4.853 0.013 1 0 "[ . 1 . 2]" 1
278 1 40 TYR H 1 40 TYR HB2 . . 3.920 2.486 2.349 2.610 . 0 0 "[ . 1 . 2]" 1
279 1 40 TYR H 1 40 TYR QB . . 3.440 2.443 2.318 2.552 . 0 0 "[ . 1 . 2]" 1
280 1 40 TYR H 1 40 TYR HB3 . . 3.920 3.599 3.562 3.633 . 0 0 "[ . 1 . 2]" 1
281 1 40 TYR H 1 40 TYR QD . . 3.280 1.907 1.792 2.049 . 0 0 "[ . 1 . 2]" 1
282 1 40 TYR H 1 40 TYR QE . . 5.090 4.144 3.870 4.377 . 0 0 "[ . 1 . 2]" 1
283 1 40 TYR H 1 41 PHE H . . 3.300 2.739 2.530 2.949 . 0 0 "[ . 1 . 2]" 1
284 1 40 TYR H 1 42 LEU H . . 4.420 4.087 3.868 4.284 . 0 0 "[ . 1 . 2]" 1
285 1 40 TYR HA 1 42 LEU H . . 4.900 4.463 4.349 4.699 . 0 0 "[ . 1 . 2]" 1
286 1 40 TYR HA 1 43 ARG H . . 3.900 3.436 3.220 3.766 . 0 0 "[ . 1 . 2]" 1
287 1 40 TYR HA 1 43 ARG HB2 . . 5.600 2.812 2.555 3.772 . 0 0 "[ . 1 . 2]" 1
288 1 40 TYR HA 1 44 TYR H . . 4.700 4.157 3.958 4.292 . 0 0 "[ . 1 . 2]" 1
289 1 40 TYR HB2 1 41 PHE H . . 4.900 2.536 2.367 2.711 . 0 0 "[ . 1 . 2]" 1
290 1 40 TYR QD 1 41 PHE H . . 4.100 4.046 3.782 4.195 0.095 19 0 "[ . 1 . 2]" 1
291 1 41 PHE H 1 41 PHE QB . . 3.690 2.273 2.066 2.462 . 0 0 "[ . 1 . 2]" 1
292 1 41 PHE H 1 42 LEU H . . 3.300 2.684 2.534 2.799 . 0 0 "[ . 1 . 2]" 1
293 1 41 PHE H 1 43 ARG H . . 4.700 4.326 4.141 4.557 . 0 0 "[ . 1 . 2]" 1
294 1 41 PHE HA 1 41 PHE QD . . 3.700 2.398 2.124 2.879 . 0 0 "[ . 1 . 2]" 1
295 1 41 PHE HA 1 43 ARG H . . 4.900 4.660 4.491 4.890 . 0 0 "[ . 1 . 2]" 1
296 1 41 PHE HA 1 44 TYR H . . 3.900 3.286 3.075 3.530 . 0 0 "[ . 1 . 2]" 1
297 1 41 PHE HA 1 44 TYR HB2 . . 4.500 3.315 2.890 3.805 . 0 0 "[ . 1 . 2]" 1
298 1 41 PHE HA 1 44 TYR QB . . 3.950 2.247 2.116 2.504 . 0 0 "[ . 1 . 2]" 1
299 1 41 PHE HA 1 44 TYR HB3 . . 4.500 2.289 2.153 2.559 . 0 0 "[ . 1 . 2]" 1
300 1 41 PHE QB 1 42 LEU H . . 3.640 2.778 2.547 2.931 . 0 0 "[ . 1 . 2]" 1
301 1 41 PHE QB 1 42 LEU QB . . 4.860 4.169 3.933 4.353 . 0 0 "[ . 1 . 2]" 1
302 1 41 PHE HB2 1 42 LEU H . . 4.200 3.638 2.775 4.171 . 0 0 "[ . 1 . 2]" 1
303 1 41 PHE HB3 1 42 LEU H . . 4.200 3.177 2.585 3.944 . 0 0 "[ . 1 . 2]" 1
304 1 41 PHE QD 1 42 LEU H . . 4.400 4.151 3.082 4.436 0.036 10 0 "[ . 1 . 2]" 1
305 1 41 PHE QD 1 44 TYR HB3 . . 3.690 3.387 2.675 3.714 0.024 17 0 "[ . 1 . 2]" 1
306 1 42 LEU H 1 42 LEU QB . . 2.890 2.128 2.045 2.195 . 0 0 "[ . 1 . 2]" 1
307 1 42 LEU H 1 42 LEU QD . . 4.000 3.764 3.722 3.803 . 0 0 "[ . 1 . 2]" 1
308 1 42 LEU H 1 42 LEU HG . . 4.320 4.264 4.171 4.351 0.031 17 0 "[ . 1 . 2]" 1
309 1 42 LEU H 1 43 ARG H . . 3.300 2.868 2.723 2.976 . 0 0 "[ . 1 . 2]" 1
310 1 42 LEU H 1 44 TYR H . . 4.700 3.934 3.739 4.039 . 0 0 "[ . 1 . 2]" 1
311 1 42 LEU HA 1 42 LEU QD . . 3.080 2.414 2.250 2.525 . 0 0 "[ . 1 . 2]" 1
312 1 42 LEU HA 1 44 TYR H . . 3.970 4.096 4.066 4.124 0.154 3 0 "[ . 1 . 2]" 1
313 1 42 LEU HA 1 46 ASN H . . 5.500 4.016 3.818 4.159 . 0 0 "[ . 1 . 2]" 1
314 1 42 LEU QB 1 43 ARG H . . 4.030 2.666 2.506 2.853 . 0 0 "[ . 1 . 2]" 1
315 1 42 LEU QB 1 46 ASN HD22 . . 5.030 4.505 4.152 4.843 . 0 0 "[ . 1 . 2]" 1
316 1 42 LEU HB2 1 43 ARG H . . 4.900 4.047 3.934 4.163 . 0 0 "[ . 1 . 2]" 1
317 1 42 LEU QD 1 43 ARG H . . 3.940 3.646 3.534 3.732 . 0 0 "[ . 1 . 2]" 1
318 1 42 LEU QD 1 46 ASN H . . 4.960 3.605 3.427 3.934 . 0 0 "[ . 1 . 2]" 1
319 1 42 LEU QD 1 46 ASN HD21 . . 3.880 3.773 3.691 3.849 . 0 0 "[ . 1 . 2]" 1
320 1 42 LEU QD 1 46 ASN QD . . 3.300 2.496 2.357 2.607 . 0 0 "[ . 1 . 2]" 1
321 1 42 LEU QD 1 46 ASN HD22 . . 3.880 2.532 2.384 2.651 . 0 0 "[ . 1 . 2]" 1
322 1 42 LEU MD1 1 46 ASN HD21 . . 3.940 3.956 3.830 3.994 0.054 10 0 "[ . 1 . 2]" 1
323 1 42 LEU MD1 1 46 ASN HD22 . . 3.770 2.605 2.422 2.715 . 0 0 "[ . 1 . 2]" 1
324 1 42 LEU HG 1 43 ARG HA . . 3.690 3.547 3.388 3.709 0.019 18 0 "[ . 1 . 2]" 1
325 1 42 LEU HG 1 46 ASN H . . 5.330 4.755 4.534 5.063 . 0 0 "[ . 1 . 2]" 1
326 1 42 LEU HG 1 46 ASN HD21 . . 4.270 3.719 3.443 4.084 . 0 0 "[ . 1 . 2]" 1
327 1 42 LEU HG 1 46 ASN QD . . 3.690 2.422 2.024 2.836 . 0 0 "[ . 1 . 2]" 1
328 1 42 LEU HG 1 46 ASN HD22 . . 4.270 2.457 2.038 2.895 . 0 0 "[ . 1 . 2]" 1
329 1 43 ARG H 1 43 ARG QB . . 2.980 2.404 2.236 2.515 . 0 0 "[ . 1 . 2]" 1
330 1 43 ARG H 1 43 ARG QD . . 4.550 3.805 3.330 4.382 . 0 0 "[ . 1 . 2]" 1
331 1 43 ARG H 1 43 ARG HG2 . . 4.790 3.597 3.349 4.547 . 0 0 "[ . 1 . 2]" 1
332 1 43 ARG H 1 43 ARG QG . . 4.180 2.344 2.154 3.955 . 0 0 "[ . 1 . 2]" 1
333 1 43 ARG H 1 43 ARG HG3 . . 4.790 2.389 2.181 4.348 . 0 0 "[ . 1 . 2]" 1
334 1 43 ARG H 1 44 TYR H . . 3.300 2.701 2.619 2.771 . 0 0 "[ . 1 . 2]" 1
335 1 43 ARG H 1 46 ASN H . . 5.270 4.681 4.564 4.770 . 0 0 "[ . 1 . 2]" 1
336 1 43 ARG HA 1 43 ARG HG2 . . 3.550 2.486 2.250 3.117 . 0 0 "[ . 1 . 2]" 1
337 1 43 ARG HA 1 43 ARG QG . . 2.920 2.306 2.194 2.512 . 0 0 "[ . 1 . 2]" 1
338 1 43 ARG HA 1 43 ARG HG3 . . 3.550 2.851 2.256 3.043 . 0 0 "[ . 1 . 2]" 1
339 1 43 ARG HA 1 46 ASN H . . 4.730 3.158 2.832 3.436 . 0 0 "[ . 1 . 2]" 1
340 1 43 ARG HA 1 46 ASN QB . . 3.780 2.394 2.123 2.664 . 0 0 "[ . 1 . 2]" 1
341 1 43 ARG HA 1 46 ASN HD21 . . 4.960 2.319 2.073 2.521 . 0 0 "[ . 1 . 2]" 1
342 1 43 ARG HA 1 46 ASN QD . . 4.120 2.254 2.039 2.439 . 0 0 "[ . 1 . 2]" 1
343 1 43 ARG HA 1 46 ASN HD22 . . 4.960 3.085 2.974 3.268 . 0 0 "[ . 1 . 2]" 1
344 1 43 ARG HA 1 47 CYS H . . 5.060 4.011 3.724 4.656 . 0 0 "[ . 1 . 2]" 1
345 1 43 ARG QB 1 44 TYR H . . 3.420 2.943 2.753 3.179 . 0 0 "[ . 1 . 2]" 1
346 1 43 ARG QB 1 44 TYR QB . . 5.340 4.137 3.942 4.413 . 0 0 "[ . 1 . 2]" 1
347 1 43 ARG QB 1 46 ASN QB . . 4.200 3.885 3.507 4.245 0.045 14 0 "[ . 1 . 2]" 1
348 1 43 ARG QB 1 46 ASN QD . . 4.580 3.729 3.547 3.913 . 0 0 "[ . 1 . 2]" 1
349 1 43 ARG QB 1 46 ASN HD22 . . 4.770 4.765 4.140 4.883 0.113 2 0 "[ . 1 . 2]" 1
350 1 43 ARG QB 1 47 CYS H . . 5.500 4.731 4.427 5.397 . 0 0 "[ . 1 . 2]" 1
351 1 43 ARG HB2 1 44 TYR H . . 4.900 3.093 2.825 4.116 . 0 0 "[ . 1 . 2]" 1
352 1 43 ARG QG 1 44 TYR H . . 4.170 4.244 4.134 4.300 0.130 2 0 "[ . 1 . 2]" 1
353 1 43 ARG HG3 1 46 ASN HD22 . . 3.960 3.992 3.851 4.056 0.096 5 0 "[ . 1 . 2]" 1
354 1 44 TYR H 1 44 TYR HB2 . . 3.500 2.726 2.508 2.927 . 0 0 "[ . 1 . 2]" 1
355 1 44 TYR H 1 44 TYR HB3 . . 3.500 2.401 2.178 2.531 . 0 0 "[ . 1 . 2]" 1
356 1 44 TYR H 1 44 TYR QD . . 4.160 4.174 3.940 4.244 0.084 18 0 "[ . 1 . 2]" 1
357 1 44 TYR H 1 46 ASN H . . 4.840 3.922 3.780 4.157 . 0 0 "[ . 1 . 2]" 1
358 1 44 TYR H 1 47 CYS H . . 5.300 4.677 4.486 5.107 . 0 0 "[ . 1 . 2]" 1
359 1 44 TYR HA 1 44 TYR QD . . 3.310 3.200 3.036 3.348 0.038 14 0 "[ . 1 . 2]" 1
360 1 46 ASN H 1 46 ASN QB . . 3.570 2.550 2.455 2.623 . 0 0 "[ . 1 . 2]" 1
361 1 46 ASN H 1 46 ASN HD21 . . 4.840 4.039 3.712 4.197 . 0 0 "[ . 1 . 2]" 1
362 1 46 ASN H 1 46 ASN QD . . 5.010 3.667 3.363 3.809 . 0 0 "[ . 1 . 2]" 1
363 1 46 ASN H 1 47 CYS H . . 3.800 2.831 2.751 2.906 . 0 0 "[ . 1 . 2]" 1
364 1 46 ASN H 1 47 CYS QB . . 4.830 4.654 4.303 4.875 0.045 6 0 "[ . 1 . 2]" 1
365 1 46 ASN HA 1 48 ARG H . . 5.290 4.531 4.033 5.005 . 0 0 "[ . 1 . 2]" 1
366 1 46 ASN HA 1 49 ARG H . . 5.090 3.454 3.234 3.717 . 0 0 "[ . 1 . 2]" 1
367 1 46 ASN HA 1 49 ARG HA . . 5.380 5.297 4.984 5.454 0.074 14 0 "[ . 1 . 2]" 1
368 1 46 ASN HA 1 49 ARG QB . . 3.720 2.451 2.140 2.660 . 0 0 "[ . 1 . 2]" 1
369 1 46 ASN HA 1 49 ARG QD . . 4.540 3.886 3.191 4.606 0.066 6 0 "[ . 1 . 2]" 1
370 1 46 ASN HA 1 50 PHE H . . 5.240 3.792 3.305 4.314 . 0 0 "[ . 1 . 2]" 1
371 1 46 ASN QB 1 46 ASN HD22 . . 3.800 3.221 3.168 3.255 . 0 0 "[ . 1 . 2]" 1
372 1 46 ASN QB 1 47 CYS H . . 4.120 2.612 2.334 2.861 . 0 0 "[ . 1 . 2]" 1
373 1 47 CYS H 1 47 CYS HB2 . . 4.130 2.528 2.204 2.739 . 0 0 "[ . 1 . 2]" 1
374 1 47 CYS H 1 47 CYS QB . . 3.380 2.363 2.031 2.658 . 0 0 "[ . 1 . 2]" 1
375 1 47 CYS H 1 47 CYS HB3 . . 4.130 3.071 2.175 3.633 . 0 0 "[ . 1 . 2]" 1
376 1 47 CYS H 1 48 ARG H . . 3.300 2.841 2.676 3.037 . 0 0 "[ . 1 . 2]" 1
377 1 47 CYS H 1 48 ARG QG . . 4.500 4.523 4.462 4.562 0.062 18 0 "[ . 1 . 2]" 1
378 1 47 CYS H 1 49 ARG H . . 4.700 4.347 4.174 4.463 . 0 0 "[ . 1 . 2]" 1
379 1 47 CYS H 1 85 TYR QD . . 4.590 4.272 3.786 4.538 . 0 0 "[ . 1 . 2]" 1
380 1 47 CYS H 1 85 TYR QE . . 5.720 5.655 5.039 5.808 0.088 12 0 "[ . 1 . 2]" 1
381 1 47 CYS HA 1 49 ARG H . . 4.900 4.800 4.610 4.923 0.023 18 0 "[ . 1 . 2]" 1
382 1 47 CYS HA 1 50 PHE H . . 3.900 3.879 3.594 4.024 0.124 7 0 "[ . 1 . 2]" 1
383 1 47 CYS HA 1 50 PHE HB2 . . 5.600 4.015 3.506 4.423 . 0 0 "[ . 1 . 2]" 1
384 1 47 CYS HA 1 51 TRP H . . 4.700 4.283 3.911 4.740 0.040 15 0 "[ . 1 . 2]" 1
385 1 47 CYS HA 1 51 TRP HD1 . . 5.360 3.532 2.962 4.215 . 0 0 "[ . 1 . 2]" 1
386 1 47 CYS HA 1 85 TYR QD . . 4.020 2.606 2.099 3.281 . 0 0 "[ . 1 . 2]" 1
387 1 47 CYS QB 1 48 ARG H . . 3.820 2.500 2.258 2.928 . 0 0 "[ . 1 . 2]" 1
388 1 47 CYS HB2 1 48 ARG H . . 3.880 3.071 2.291 3.974 0.094 13 0 "[ . 1 . 2]" 1
389 1 47 CYS HB3 1 48 ARG H . . 3.900 3.214 2.478 3.966 0.066 3 0 "[ . 1 . 2]" 1
390 1 48 ARG H 1 48 ARG QB . . 3.300 2.469 2.301 2.639 . 0 0 "[ . 1 . 2]" 1
391 1 48 ARG H 1 48 ARG HD3 . . 4.700 4.500 3.620 4.788 0.088 12 0 "[ . 1 . 2]" 1
392 1 48 ARG H 1 49 ARG H . . 3.300 2.772 2.339 3.015 . 0 0 "[ . 1 . 2]" 1
393 1 48 ARG H 1 50 PHE H . . 4.700 4.342 3.972 4.566 . 0 0 "[ . 1 . 2]" 1
394 1 48 ARG HA 1 48 ARG HD2 . . 4.130 3.312 2.343 4.309 0.179 9 0 "[ . 1 . 2]" 1
395 1 48 ARG HA 1 48 ARG HD3 . . 4.130 3.760 2.523 4.276 0.146 9 0 "[ . 1 . 2]" 1
396 1 48 ARG HA 1 50 PHE H . . 4.900 4.548 4.136 4.834 . 0 0 "[ . 1 . 2]" 1
397 1 48 ARG HA 1 51 TRP H . . 3.900 3.875 3.442 4.015 0.115 3 0 "[ . 1 . 2]" 1
398 1 48 ARG HA 1 51 TRP HB2 . . 5.600 3.367 2.890 3.662 . 0 0 "[ . 1 . 2]" 1
399 1 48 ARG HA 1 51 TRP HB3 . . 5.120 4.992 4.589 5.179 0.059 5 0 "[ . 1 . 2]" 1
400 1 48 ARG HA 1 52 ASN H . . 4.700 3.867 3.736 4.018 . 0 0 "[ . 1 . 2]" 1
401 1 48 ARG QB 1 49 ARG H . . 4.190 2.664 2.177 3.714 . 0 0 "[ . 1 . 2]" 1
402 1 48 ARG QB 1 50 PHE H . . 5.140 4.890 4.691 5.206 0.066 15 0 "[ . 1 . 2]" 1
403 1 48 ARG HB2 1 49 ARG H . . 4.900 2.790 2.206 4.175 . 0 0 "[ . 1 . 2]" 1
404 1 49 ARG H 1 49 ARG QB . . 3.370 2.227 2.139 2.309 . 0 0 "[ . 1 . 2]" 1
405 1 49 ARG H 1 50 PHE H . . 3.300 2.918 2.756 3.046 . 0 0 "[ . 1 . 2]" 1
406 1 49 ARG H 1 51 TRP H . . 4.700 4.671 4.534 4.731 0.031 16 0 "[ . 1 . 2]" 1
407 1 49 ARG HA 1 49 ARG HG2 . . 3.490 3.175 2.950 3.421 . 0 0 "[ . 1 . 2]" 1
408 1 49 ARG HA 1 49 ARG HG3 . . 3.490 2.550 2.467 2.779 . 0 0 "[ . 1 . 2]" 1
409 1 49 ARG HA 1 51 TRP H . . 5.000 4.866 4.699 4.979 . 0 0 "[ . 1 . 2]" 1
410 1 49 ARG HA 1 52 ASN H . . 3.900 3.626 3.484 3.812 . 0 0 "[ . 1 . 2]" 1
411 1 49 ARG HA 1 52 ASN HB2 . . 3.760 2.436 2.322 3.272 . 0 0 "[ . 1 . 2]" 1
412 1 49 ARG HA 1 52 ASN QB . . 3.250 2.377 2.302 2.562 . 0 0 "[ . 1 . 2]" 1
413 1 49 ARG HA 1 52 ASN HB3 . . 3.760 3.730 2.676 3.863 0.103 2 0 "[ . 1 . 2]" 1
414 1 49 ARG HA 1 52 ASN QD . . 4.820 3.264 2.788 3.841 . 0 0 "[ . 1 . 2]" 1
415 1 49 ARG HA 1 52 ASN HD22 . . 5.260 4.755 4.263 5.272 0.012 4 0 "[ . 1 . 2]" 1
416 1 49 ARG HA 1 53 SER H . . 4.700 3.923 3.759 4.084 . 0 0 "[ . 1 . 2]" 1
417 1 49 ARG QB 1 50 PHE H . . 3.420 2.691 2.479 2.863 . 0 0 "[ . 1 . 2]" 1
418 1 49 ARG QB 1 50 PHE HA . . 5.110 4.342 4.160 4.490 . 0 0 "[ . 1 . 2]" 1
419 1 49 ARG HB2 1 50 PHE H . . 4.900 4.013 3.879 4.160 . 0 0 "[ . 1 . 2]" 1
420 1 49 ARG QG 1 50 PHE H . . 4.790 3.669 3.448 3.880 . 0 0 "[ . 1 . 2]" 1
421 1 49 ARG HG3 1 50 PHE HA . . 5.450 5.218 4.735 5.481 0.031 20 0 "[ . 1 . 2]" 1
422 1 50 PHE H 1 50 PHE HB2 . . 3.620 2.500 2.408 2.619 . 0 0 "[ . 1 . 2]" 1
423 1 50 PHE H 1 50 PHE HB3 . . 3.620 2.528 2.416 2.579 . 0 0 "[ . 1 . 2]" 1
424 1 50 PHE H 1 51 TRP H . . 3.300 2.848 2.736 2.977 . 0 0 "[ . 1 . 2]" 1
425 1 50 PHE H 1 52 ASN H . . 4.700 4.174 4.094 4.308 . 0 0 "[ . 1 . 2]" 1
426 1 50 PHE HA 1 50 PHE QD . . 4.160 2.679 2.552 2.848 . 0 0 "[ . 1 . 2]" 1
427 1 50 PHE HA 1 52 ASN H . . 4.900 4.673 4.498 4.822 . 0 0 "[ . 1 . 2]" 1
428 1 50 PHE HA 1 53 SER H . . 3.900 3.588 3.452 3.750 . 0 0 "[ . 1 . 2]" 1
429 1 50 PHE HA 1 53 SER HB2 . . 5.600 3.098 2.822 3.799 . 0 0 "[ . 1 . 2]" 1
430 1 50 PHE HA 1 54 ILE H . . 4.700 4.346 4.238 4.419 . 0 0 "[ . 1 . 2]" 1
431 1 50 PHE QB 1 51 TRP H . . 3.750 2.181 2.135 2.264 . 0 0 "[ . 1 . 2]" 1
432 1 50 PHE QB 1 84 PRO QB . . 3.870 2.607 2.287 2.986 . 0 0 "[ . 1 . 2]" 1
433 1 50 PHE QB 1 84 PRO HG3 . . 5.340 4.038 3.780 4.472 . 0 0 "[ . 1 . 2]" 1
434 1 50 PHE HB2 1 51 TRP H . . 3.510 3.624 3.583 3.653 0.143 5 0 "[ . 1 . 2]" 1
435 1 50 PHE HB3 1 51 TRP H . . 3.960 2.199 2.151 2.287 . 0 0 "[ . 1 . 2]" 1
436 1 50 PHE QD 1 51 TRP H . . 4.040 3.036 2.745 3.298 . 0 0 "[ . 1 . 2]" 1
437 1 50 PHE QD 1 51 TRP HD1 . . 5.030 3.422 3.157 3.960 . 0 0 "[ . 1 . 2]" 1
438 1 50 PHE QE 1 54 ILE MD . . 4.280 3.245 3.009 3.678 . 0 0 "[ . 1 . 2]" 1
439 1 50 PHE QE 1 54 ILE HG12 . . 4.280 3.702 3.503 4.026 . 0 0 "[ . 1 . 2]" 1
440 1 50 PHE QE 1 54 ILE HG13 . . 5.100 2.981 2.659 3.348 . 0 0 "[ . 1 . 2]" 1
441 1 50 PHE QE 1 76 ILE MG . . 4.030 2.516 2.248 2.977 . 0 0 "[ . 1 . 2]" 1
442 1 50 PHE QE 1 84 PRO HG3 . . 5.260 3.211 2.909 3.493 . 0 0 "[ . 1 . 2]" 1
443 1 50 PHE HZ 1 54 ILE MD . . 3.680 2.883 2.492 3.596 . 0 0 "[ . 1 . 2]" 1
444 1 50 PHE HZ 1 54 ILE HG13 . . 4.750 3.792 3.244 4.442 . 0 0 "[ . 1 . 2]" 1
445 1 50 PHE HZ 1 76 ILE MG . . 4.110 2.585 2.280 2.935 . 0 0 "[ . 1 . 2]" 1
446 1 50 PHE HZ 1 80 VAL MG1 . . 4.380 4.350 4.127 4.402 0.022 12 0 "[ . 1 . 2]" 1
447 1 50 PHE HZ 1 80 VAL QG . . 3.280 2.246 2.147 2.332 . 0 0 "[ . 1 . 2]" 1
448 1 50 PHE HZ 1 80 VAL MG2 . . 4.380 2.254 2.154 2.341 . 0 0 "[ . 1 . 2]" 1
449 1 51 TRP H 1 51 TRP HB2 . . 3.490 2.405 2.346 2.471 . 0 0 "[ . 1 . 2]" 1
450 1 51 TRP H 1 51 TRP QB . . 3.160 2.371 2.317 2.431 . 0 0 "[ . 1 . 2]" 1
451 1 51 TRP H 1 51 TRP HB3 . . 3.580 3.595 3.583 3.612 0.032 1 0 "[ . 1 . 2]" 1
452 1 51 TRP H 1 51 TRP HD1 . . 4.000 2.998 2.769 3.220 . 0 0 "[ . 1 . 2]" 1
453 1 51 TRP H 1 52 ASN H . . 3.300 2.834 2.631 2.947 . 0 0 "[ . 1 . 2]" 1
454 1 51 TRP H 1 53 SER H . . 4.700 4.173 4.033 4.301 . 0 0 "[ . 1 . 2]" 1
455 1 51 TRP HA 1 51 TRP HD1 . . 4.500 4.382 4.270 4.486 . 0 0 "[ . 1 . 2]" 1
456 1 51 TRP HA 1 51 TRP HE3 . . 3.540 2.486 2.299 2.680 . 0 0 "[ . 1 . 2]" 1
457 1 51 TRP HA 1 53 SER H . . 4.900 4.164 4.047 4.271 . 0 0 "[ . 1 . 2]" 1
458 1 51 TRP HA 1 54 ILE H . . 3.730 3.021 2.875 3.197 . 0 0 "[ . 1 . 2]" 1
459 1 51 TRP HA 1 54 ILE HB . . 3.820 2.473 2.240 2.627 . 0 0 "[ . 1 . 2]" 1
460 1 51 TRP HA 1 54 ILE MD . . 4.680 4.446 4.342 4.555 . 0 0 "[ . 1 . 2]" 1
461 1 51 TRP HA 1 54 ILE HG12 . . 4.120 2.990 2.831 3.164 . 0 0 "[ . 1 . 2]" 1
462 1 51 TRP HA 1 54 ILE HG13 . . 4.400 3.220 3.096 3.362 . 0 0 "[ . 1 . 2]" 1
463 1 51 TRP HA 1 54 ILE MG . . 4.830 3.911 3.650 4.066 . 0 0 "[ . 1 . 2]" 1
464 1 51 TRP HA 1 55 VAL H . . 4.700 3.927 3.759 4.003 . 0 0 "[ . 1 . 2]" 1
465 1 51 TRP QB 1 53 SER H . . 4.980 4.899 4.824 4.997 0.017 17 0 "[ . 1 . 2]" 1
466 1 51 TRP HB2 1 52 ASN H . . 4.900 3.079 2.877 3.250 . 0 0 "[ . 1 . 2]" 1
467 1 51 TRP HB2 1 67 MET ME . . 4.210 4.191 3.839 4.249 0.039 5 0 "[ . 1 . 2]" 1
468 1 51 TRP HB3 1 51 TRP HE3 . . 3.950 2.976 2.882 3.081 . 0 0 "[ . 1 . 2]" 1
469 1 51 TRP HB3 1 52 ASN H . . 5.510 3.848 3.688 4.003 . 0 0 "[ . 1 . 2]" 1
470 1 51 TRP HB3 1 54 ILE HG13 . . 5.750 5.270 5.121 5.558 . 0 0 "[ . 1 . 2]" 1
471 1 51 TRP HB3 1 67 MET ME . . 4.380 3.731 3.243 3.992 . 0 0 "[ . 1 . 2]" 1
472 1 51 TRP HD1 1 84 PRO HG2 . . 4.520 4.634 4.590 4.695 0.175 19 0 "[ . 1 . 2]" 1
473 1 51 TRP HD1 1 85 TYR QE . . 5.260 3.691 2.605 4.747 . 0 0 "[ . 1 . 2]" 1
474 1 51 TRP HE1 1 77 LEU MD1 . . 4.720 4.453 4.153 4.726 0.006 9 0 "[ . 1 . 2]" 1
475 1 51 TRP HE1 1 77 LEU MD2 . . 4.800 3.765 3.492 4.193 . 0 0 "[ . 1 . 2]" 1
476 1 51 TRP HE1 1 84 PRO HG2 . . 5.150 3.757 3.595 3.989 . 0 0 "[ . 1 . 2]" 1
477 1 51 TRP HE1 1 85 TYR QE . . 4.430 2.572 2.089 3.099 . 0 0 "[ . 1 . 2]" 1
478 1 51 TRP HE3 1 54 ILE H . . 5.100 4.690 4.461 4.936 . 0 0 "[ . 1 . 2]" 1
479 1 51 TRP HE3 1 54 ILE MD . . 4.720 4.467 4.242 4.724 0.004 11 0 "[ . 1 . 2]" 1
480 1 51 TRP HE3 1 54 ILE HG12 . . 4.050 3.945 3.699 4.065 0.015 18 0 "[ . 1 . 2]" 1
481 1 51 TRP HE3 1 54 ILE HG13 . . 4.360 2.939 2.646 3.228 . 0 0 "[ . 1 . 2]" 1
482 1 51 TRP HE3 1 68 PRO QG . . 4.970 2.580 2.222 3.169 . 0 0 "[ . 1 . 2]" 1
483 1 51 TRP HH2 1 76 ILE HB . . 3.520 2.690 2.409 3.113 . 0 0 "[ . 1 . 2]" 1
484 1 51 TRP HH2 1 76 ILE MG . . 3.150 2.744 2.629 2.936 . 0 0 "[ . 1 . 2]" 1
485 1 51 TRP HH2 1 77 LEU HB2 . . 4.510 4.477 4.352 4.549 0.039 17 0 "[ . 1 . 2]" 1
486 1 51 TRP HH2 1 77 LEU MD1 . . 4.280 3.564 3.082 3.867 . 0 0 "[ . 1 . 2]" 1
487 1 51 TRP HH2 1 77 LEU HG . . 4.100 2.497 2.372 2.685 . 0 0 "[ . 1 . 2]" 1
488 1 51 TRP HZ2 1 77 LEU HA . . 5.000 4.782 4.491 5.030 0.030 12 0 "[ . 1 . 2]" 1
489 1 51 TRP HZ2 1 77 LEU HB2 . . 5.500 4.923 4.723 5.168 . 0 0 "[ . 1 . 2]" 1
490 1 51 TRP HZ2 1 77 LEU HB3 . . 5.500 5.208 5.027 5.454 . 0 0 "[ . 1 . 2]" 1
491 1 51 TRP HZ2 1 77 LEU MD1 . . 3.430 2.645 2.351 2.899 . 0 0 "[ . 1 . 2]" 1
492 1 51 TRP HZ2 1 77 LEU MD2 . . 3.490 2.453 2.291 2.654 . 0 0 "[ . 1 . 2]" 1
493 1 51 TRP HZ2 1 77 LEU HG . . 3.560 2.459 2.268 2.687 . 0 0 "[ . 1 . 2]" 1
494 1 51 TRP HZ2 1 85 TYR QE . . 4.930 4.496 4.146 4.845 . 0 0 "[ . 1 . 2]" 1
495 1 51 TRP HZ3 1 54 ILE MD . . 4.700 4.204 3.842 4.700 . 0 0 "[ . 1 . 2]" 1
496 1 51 TRP HZ3 1 68 PRO QG . . 4.340 2.310 2.169 2.575 . 0 0 "[ . 1 . 2]" 1
497 1 51 TRP HZ3 1 76 ILE H . . 5.500 5.298 5.017 5.575 0.075 10 0 "[ . 1 . 2]" 1
498 1 51 TRP HZ3 1 76 ILE HB . . 4.760 3.139 2.813 3.445 . 0 0 "[ . 1 . 2]" 1
499 1 51 TRP HZ3 1 76 ILE HG12 . . 5.370 4.565 4.252 5.116 . 0 0 "[ . 1 . 2]" 1
500 1 51 TRP HZ3 1 76 ILE MG . . 3.160 2.438 2.287 2.647 . 0 0 "[ . 1 . 2]" 1
501 1 51 TRP HZ3 1 77 LEU HG . . 5.260 4.922 4.671 5.130 . 0 0 "[ . 1 . 2]" 1
502 1 52 ASN H 1 52 ASN HB2 . . 3.390 2.224 2.150 2.290 . 0 0 "[ . 1 . 2]" 1
503 1 52 ASN H 1 52 ASN QB . . 2.870 2.194 2.130 2.248 . 0 0 "[ . 1 . 2]" 1
504 1 52 ASN H 1 52 ASN HB3 . . 3.390 3.424 2.643 3.481 0.091 10 0 "[ . 1 . 2]" 1
505 1 52 ASN H 1 53 SER H . . 3.260 2.757 2.628 2.856 . 0 0 "[ . 1 . 2]" 1
506 1 52 ASN H 1 54 ILE H . . 4.700 4.252 4.120 4.368 . 0 0 "[ . 1 . 2]" 1
507 1 52 ASN H 1 67 MET ME . . 5.430 4.596 4.387 4.829 . 0 0 "[ . 1 . 2]" 1
508 1 52 ASN HA 1 54 ILE H . . 4.810 4.523 4.431 4.684 . 0 0 "[ . 1 . 2]" 1
509 1 52 ASN HA 1 55 VAL H . . 3.900 3.361 3.232 3.609 . 0 0 "[ . 1 . 2]" 1
510 1 52 ASN HA 1 55 VAL HB . . 3.750 2.315 2.159 2.664 . 0 0 "[ . 1 . 2]" 1
511 1 52 ASN HA 1 55 VAL MG2 . . 3.510 3.003 2.813 3.265 . 0 0 "[ . 1 . 2]" 1
512 1 52 ASN HA 1 56 MET H . . 4.500 4.050 3.923 4.252 . 0 0 "[ . 1 . 2]" 1
513 1 52 ASN HA 1 56 MET QG . . 5.340 4.432 4.191 4.709 . 0 0 "[ . 1 . 2]" 1
514 1 52 ASN HA 1 67 MET ME . . 5.140 3.697 3.397 3.972 . 0 0 "[ . 1 . 2]" 1
515 1 52 ASN QB 1 55 VAL HB . . 5.280 4.185 4.038 4.447 . 0 0 "[ . 1 . 2]" 1
516 1 52 ASN HB2 1 53 SER H . . 3.380 2.906 2.666 3.555 0.175 18 0 "[ . 1 . 2]" 1
517 1 52 ASN HB3 1 53 SER H . . 3.590 3.476 2.371 3.624 0.034 19 0 "[ . 1 . 2]" 1
518 1 53 SER H 1 53 SER HA . . 2.860 2.881 2.866 2.894 0.034 12 0 "[ . 1 . 2]" 1
519 1 53 SER H 1 53 SER QB . . 3.150 2.476 2.181 2.636 . 0 0 "[ . 1 . 2]" 1
520 1 53 SER H 1 54 ILE H . . 2.990 2.743 2.676 2.827 . 0 0 "[ . 1 . 2]" 1
521 1 53 SER H 1 54 ILE HG12 . . 4.550 4.513 4.430 4.580 0.030 18 0 "[ . 1 . 2]" 1
522 1 53 SER H 1 55 VAL H . . 4.700 4.173 4.078 4.279 . 0 0 "[ . 1 . 2]" 1
523 1 53 SER HA 1 55 VAL H . . 4.900 4.483 4.350 4.680 . 0 0 "[ . 1 . 2]" 1
524 1 53 SER HA 1 56 MET H . . 3.900 3.253 2.997 3.540 . 0 0 "[ . 1 . 2]" 1
525 1 53 SER HA 1 56 MET HB2 . . 5.600 2.616 2.350 2.818 . 0 0 "[ . 1 . 2]" 1
526 1 53 SER HA 1 57 GLN H . . 4.700 4.054 3.857 4.205 . 0 0 "[ . 1 . 2]" 1
527 1 53 SER QB 1 54 ILE H . . 3.590 2.685 2.470 2.852 . 0 0 "[ . 1 . 2]" 1
528 1 53 SER QB 1 54 ILE MD . . 4.700 3.836 3.609 4.196 . 0 0 "[ . 1 . 2]" 1
529 1 53 SER QB 1 54 ILE HG12 . . 4.410 3.537 3.192 3.770 . 0 0 "[ . 1 . 2]" 1
530 1 53 SER HB2 1 54 ILE H . . 4.450 3.003 2.632 4.092 . 0 0 "[ . 1 . 2]" 1
531 1 53 SER HB3 1 54 ILE H . . 4.450 3.555 2.509 3.941 . 0 0 "[ . 1 . 2]" 1
532 1 54 ILE H 1 54 ILE HB . . 3.310 2.439 2.324 2.507 . 0 0 "[ . 1 . 2]" 1
533 1 54 ILE H 1 54 ILE MD . . 3.890 3.373 3.257 3.500 . 0 0 "[ . 1 . 2]" 1
534 1 54 ILE H 1 54 ILE HG12 . . 3.450 2.231 2.172 2.307 . 0 0 "[ . 1 . 2]" 1
535 1 54 ILE H 1 54 ILE HG13 . . 3.590 3.620 3.606 3.633 0.043 2 0 "[ . 1 . 2]" 1
536 1 54 ILE H 1 54 ILE MG . . 4.180 3.784 3.734 3.812 . 0 0 "[ . 1 . 2]" 1
537 1 54 ILE H 1 55 VAL H . . 3.300 2.756 2.639 2.803 . 0 0 "[ . 1 . 2]" 1
538 1 54 ILE H 1 55 VAL HB . . 4.900 4.665 4.506 4.803 . 0 0 "[ . 1 . 2]" 1
539 1 54 ILE H 1 55 VAL MG2 . . 4.460 4.498 4.482 4.518 0.058 18 0 "[ . 1 . 2]" 1
540 1 54 ILE H 1 56 MET H . . 4.620 4.327 4.202 4.430 . 0 0 "[ . 1 . 2]" 1
541 1 54 ILE HA 1 54 ILE MD . . 3.140 2.144 2.114 2.203 . 0 0 "[ . 1 . 2]" 1
542 1 54 ILE HA 1 54 ILE HG13 . . 4.050 3.775 3.754 3.811 . 0 0 "[ . 1 . 2]" 1
543 1 54 ILE HA 1 54 ILE MG . . 3.260 2.497 2.443 2.594 . 0 0 "[ . 1 . 2]" 1
544 1 54 ILE HA 1 56 MET H . . 4.900 4.602 4.508 4.698 . 0 0 "[ . 1 . 2]" 1
545 1 54 ILE HA 1 57 GLN H . . 3.900 3.319 3.072 3.519 . 0 0 "[ . 1 . 2]" 1
546 1 54 ILE HA 1 57 GLN HB2 . . 5.600 2.511 2.263 2.844 . 0 0 "[ . 1 . 2]" 1
547 1 54 ILE HA 1 57 GLN QB . . 3.550 2.490 2.244 2.816 . 0 0 "[ . 1 . 2]" 1
548 1 54 ILE HA 1 57 GLN HG2 . . 5.160 3.685 2.563 4.118 . 0 0 "[ . 1 . 2]" 1
549 1 54 ILE HA 1 57 GLN HG3 . . 5.160 4.151 3.698 5.191 0.031 14 0 "[ . 1 . 2]" 1
550 1 54 ILE HA 1 58 ARG H . . 4.700 4.102 3.957 4.283 . 0 0 "[ . 1 . 2]" 1
551 1 54 ILE HB 1 55 VAL H . . 3.730 2.646 2.534 2.756 . 0 0 "[ . 1 . 2]" 1
552 1 54 ILE MD 1 54 ILE MG . . 2.750 2.158 2.143 2.176 . 0 0 "[ . 1 . 2]" 1
553 1 54 ILE MD 1 55 VAL H . . 4.780 4.793 4.751 4.812 0.032 13 0 "[ . 1 . 2]" 1
554 1 54 ILE MD 1 57 GLN QB . . 4.690 3.428 3.152 3.779 . 0 0 "[ . 1 . 2]" 1
555 1 54 ILE MD 1 57 GLN QG . . 3.700 3.623 2.927 3.723 0.023 17 0 "[ . 1 . 2]" 1
556 1 54 ILE HG12 1 55 VAL H . . 4.940 4.388 4.275 4.447 . 0 0 "[ . 1 . 2]" 1
557 1 54 ILE MG 1 55 VAL H . . 4.030 3.343 3.213 3.450 . 0 0 "[ . 1 . 2]" 1
558 1 54 ILE MG 1 57 GLN H . . 5.340 4.712 4.549 4.888 . 0 0 "[ . 1 . 2]" 1
559 1 54 ILE MG 1 57 GLN QB . . 4.690 3.745 3.483 3.946 . 0 0 "[ . 1 . 2]" 1
560 1 54 ILE MG 1 58 ARG H . . 4.400 4.139 3.986 4.268 . 0 0 "[ . 1 . 2]" 1
561 1 54 ILE MG 1 58 ARG HB2 . . 5.950 4.042 3.712 5.127 . 0 0 "[ . 1 . 2]" 1
562 1 54 ILE MG 1 58 ARG HD2 . . 4.360 2.615 2.066 4.284 . 0 0 "[ . 1 . 2]" 1
563 1 54 ILE MG 1 58 ARG QD . . 3.670 2.302 2.008 2.854 . 0 0 "[ . 1 . 2]" 1
564 1 54 ILE MG 1 58 ARG HD3 . . 4.360 3.303 2.160 4.021 . 0 0 "[ . 1 . 2]" 1
565 1 54 ILE MG 1 67 MET HA . . 5.500 4.634 4.374 5.218 . 0 0 "[ . 1 . 2]" 1
566 1 54 ILE MG 1 68 PRO HA . . 5.270 4.867 4.488 5.275 0.005 16 0 "[ . 1 . 2]" 1
567 1 54 ILE MG 1 68 PRO HD3 . . 4.330 2.805 2.483 3.276 . 0 0 "[ . 1 . 2]" 1
568 1 55 VAL H 1 55 VAL HB . . 3.260 2.331 2.287 2.386 . 0 0 "[ . 1 . 2]" 1
569 1 55 VAL H 1 55 VAL MG1 . . 3.750 3.756 3.737 3.770 0.020 10 0 "[ . 1 . 2]" 1
570 1 55 VAL H 1 55 VAL MG2 . . 3.050 2.313 2.259 2.420 . 0 0 "[ . 1 . 2]" 1
571 1 55 VAL H 1 56 MET H . . 3.300 2.961 2.878 3.011 . 0 0 "[ . 1 . 2]" 1
572 1 55 VAL H 1 57 GLN H . . 4.700 4.227 4.108 4.343 . 0 0 "[ . 1 . 2]" 1
573 1 55 VAL H 1 67 MET ME . . 5.500 5.000 4.872 5.165 . 0 0 "[ . 1 . 2]" 1
574 1 55 VAL HA 1 55 VAL MG1 . . 3.010 2.626 2.564 2.682 . 0 0 "[ . 1 . 2]" 1
575 1 55 VAL HA 1 55 VAL MG2 . . 3.210 2.287 2.237 2.347 . 0 0 "[ . 1 . 2]" 1
576 1 55 VAL HA 1 57 GLN H . . 4.900 4.465 4.286 4.577 . 0 0 "[ . 1 . 2]" 1
577 1 55 VAL HA 1 58 ARG H . . 3.900 3.452 3.039 3.710 . 0 0 "[ . 1 . 2]" 1
578 1 55 VAL HA 1 58 ARG HB2 . . 5.600 2.901 2.602 5.406 . 0 0 "[ . 1 . 2]" 1
579 1 55 VAL HA 1 58 ARG HD3 . . 4.470 4.202 3.005 4.538 0.068 7 0 "[ . 1 . 2]" 1
580 1 55 VAL HA 1 59 ARG H . . 4.700 3.959 3.817 4.148 . 0 0 "[ . 1 . 2]" 1
581 1 55 VAL HA 1 66 PHE HB3 . . 5.500 2.573 2.201 3.776 . 0 0 "[ . 1 . 2]" 1
582 1 55 VAL HA 1 66 PHE QD . . 4.770 4.609 4.346 4.803 0.033 11 0 "[ . 1 . 2]" 1
583 1 55 VAL HB 1 56 MET H . . 3.620 2.704 2.586 2.819 . 0 0 "[ . 1 . 2]" 1
584 1 55 VAL MG1 1 56 MET H . . 3.720 3.090 2.978 3.225 . 0 0 "[ . 1 . 2]" 1
585 1 55 VAL MG1 1 58 ARG H . . 5.000 4.806 4.512 5.002 0.002 5 0 "[ . 1 . 2]" 1
586 1 55 VAL MG1 1 59 ARG H . . 4.920 4.171 3.986 4.311 . 0 0 "[ . 1 . 2]" 1
587 1 55 VAL MG1 1 59 ARG QD . . 4.420 3.259 2.911 4.261 . 0 0 "[ . 1 . 2]" 1
588 1 55 VAL MG1 1 66 PHE HA . . 5.200 4.374 3.964 4.519 . 0 0 "[ . 1 . 2]" 1
589 1 55 VAL MG1 1 66 PHE HB2 . . 3.640 2.517 2.308 3.300 . 0 0 "[ . 1 . 2]" 1
590 1 55 VAL MG1 1 66 PHE HB3 . . 3.370 2.270 2.159 2.405 . 0 0 "[ . 1 . 2]" 1
591 1 55 VAL MG1 1 66 PHE QD . . 4.020 3.173 2.819 3.947 . 0 0 "[ . 1 . 2]" 1
592 1 55 VAL MG1 1 67 MET H . . 4.290 4.005 3.738 4.291 0.001 5 0 "[ . 1 . 2]" 1
593 1 55 VAL MG1 1 67 MET ME . . 3.420 3.265 2.964 3.424 0.004 5 0 "[ . 1 . 2]" 1
594 1 55 VAL MG2 1 56 MET H . . 4.100 4.074 4.018 4.117 0.017 18 0 "[ . 1 . 2]" 1
595 1 55 VAL MG2 1 67 MET H . . 3.870 3.176 2.923 3.710 . 0 0 "[ . 1 . 2]" 1
596 1 55 VAL MG2 1 67 MET HA . . 3.380 2.399 2.140 2.744 . 0 0 "[ . 1 . 2]" 1
597 1 55 VAL MG2 1 67 MET ME . . 2.800 2.141 2.056 2.245 . 0 0 "[ . 1 . 2]" 1
598 1 55 VAL MG2 1 67 MET QG . . 4.390 2.503 2.348 2.956 . 0 0 "[ . 1 . 2]" 1
599 1 55 VAL MG2 1 68 PRO HD3 . . 4.530 3.112 2.682 3.646 . 0 0 "[ . 1 . 2]" 1
600 1 56 MET H 1 56 MET QB . . 2.880 2.387 2.220 2.502 . 0 0 "[ . 1 . 2]" 1
601 1 56 MET H 1 56 MET HG2 . . 4.000 2.607 2.255 3.631 . 0 0 "[ . 1 . 2]" 1
602 1 56 MET H 1 56 MET QG . . 3.510 2.409 2.229 2.721 . 0 0 "[ . 1 . 2]" 1
603 1 56 MET H 1 56 MET HG3 . . 4.000 3.519 2.311 3.872 . 0 0 "[ . 1 . 2]" 1
604 1 56 MET H 1 57 GLN H . . 3.290 2.815 2.724 2.882 . 0 0 "[ . 1 . 2]" 1
605 1 56 MET H 1 58 ARG H . . 4.380 4.233 4.053 4.394 0.014 11 0 "[ . 1 . 2]" 1
606 1 56 MET HA 1 56 MET HG2 . . 3.610 2.850 2.356 3.154 . 0 0 "[ . 1 . 2]" 1
607 1 56 MET HA 1 56 MET QG . . 3.610 2.746 2.254 2.990 . 0 0 "[ . 1 . 2]" 1
608 1 56 MET HA 1 58 ARG H . . 4.900 4.278 4.029 4.595 . 0 0 "[ . 1 . 2]" 1
609 1 56 MET HA 1 59 ARG H . . 3.900 3.302 3.041 3.529 . 0 0 "[ . 1 . 2]" 1
610 1 56 MET HA 1 59 ARG HB2 . . 5.600 3.416 3.117 3.642 . 0 0 "[ . 1 . 2]" 1
611 1 56 MET HA 1 59 ARG QD . . 3.890 3.633 2.901 3.968 0.078 10 0 "[ . 1 . 2]" 1
612 1 56 MET HA 1 60 LYS H . . 4.700 4.333 3.860 4.729 0.029 5 0 "[ . 1 . 2]" 1
613 1 56 MET QB 1 57 GLN H . . 3.960 2.713 2.455 2.883 . 0 0 "[ . 1 . 2]" 1
614 1 56 MET HB2 1 57 GLN H . . 4.580 2.809 2.509 3.025 . 0 0 "[ . 1 . 2]" 1
615 1 56 MET HB3 1 57 GLN H . . 3.620 3.606 3.436 3.661 0.041 11 0 "[ . 1 . 2]" 1
616 1 56 MET QG 1 57 GLN QE . . 5.090 4.749 3.829 5.137 0.047 2 0 "[ . 1 . 2]" 1
617 1 57 GLN H 1 57 GLN QB . . 2.700 2.389 2.139 2.626 . 0 0 "[ . 1 . 2]" 1
618 1 57 GLN H 1 57 GLN QG . . 4.550 2.713 2.379 3.659 . 0 0 "[ . 1 . 2]" 1
619 1 57 GLN H 1 58 ARG H . . 3.300 2.660 2.549 2.749 . 0 0 "[ . 1 . 2]" 1
620 1 57 GLN H 1 59 ARG H . . 3.960 4.011 3.972 4.064 0.104 16 0 "[ . 1 . 2]" 1
621 1 57 GLN HA 1 57 GLN QE . . 4.090 3.232 2.284 4.002 . 0 0 "[ . 1 . 2]" 1
622 1 57 GLN HA 1 57 GLN HE22 . . 5.060 3.809 3.251 4.447 . 0 0 "[ . 1 . 2]" 1
623 1 57 GLN HA 1 57 GLN HG2 . . 4.020 3.278 2.842 3.712 . 0 0 "[ . 1 . 2]" 1
624 1 57 GLN HA 1 57 GLN QG . . 3.410 2.942 2.401 3.255 . 0 0 "[ . 1 . 2]" 1
625 1 57 GLN HA 1 57 GLN HG3 . . 4.020 3.550 2.436 3.787 . 0 0 "[ . 1 . 2]" 1
626 1 57 GLN HA 1 59 ARG H . . 4.900 4.353 4.180 4.526 . 0 0 "[ . 1 . 2]" 1
627 1 57 GLN HA 1 60 LYS H . . 3.900 3.759 3.484 3.981 0.081 11 0 "[ . 1 . 2]" 1
628 1 57 GLN HA 1 60 LYS HB2 . . 5.600 5.123 4.650 5.476 . 0 0 "[ . 1 . 2]" 1
629 1 57 GLN QB 1 58 ARG H . . 3.190 3.005 2.662 3.195 0.005 9 0 "[ . 1 . 2]" 1
630 1 57 GLN HB2 1 58 ARG H . . 4.900 3.131 2.729 3.331 . 0 0 "[ . 1 . 2]" 1
631 1 57 GLN QE 1 57 GLN QG . . 3.060 2.227 2.146 2.531 . 0 0 "[ . 1 . 2]" 1
632 1 58 ARG H 1 58 ARG QB . . 3.690 2.322 2.141 2.656 . 0 0 "[ . 1 . 2]" 1
633 1 58 ARG H 1 58 ARG QD . . 4.800 3.634 2.654 4.015 . 0 0 "[ . 1 . 2]" 1
634 1 58 ARG H 1 58 ARG QG . . 4.150 2.826 2.216 3.785 . 0 0 "[ . 1 . 2]" 1
635 1 58 ARG H 1 59 ARG H . . 3.300 2.406 2.302 2.637 . 0 0 "[ . 1 . 2]" 1
636 1 58 ARG H 1 60 LYS H . . 4.700 4.172 3.986 4.385 . 0 0 "[ . 1 . 2]" 1
637 1 58 ARG H 1 60 LYS QG . . 5.020 4.754 4.371 5.061 0.041 6 0 "[ . 1 . 2]" 1
638 1 58 ARG HA 1 58 ARG QD . . 4.880 3.735 2.186 4.315 . 0 0 "[ . 1 . 2]" 1
639 1 58 ARG HA 1 58 ARG QG . . 3.670 2.445 2.225 3.417 . 0 0 "[ . 1 . 2]" 1
640 1 58 ARG HA 1 59 ARG H . . 3.430 3.479 3.439 3.516 0.086 17 0 "[ . 1 . 2]" 1
641 1 58 ARG HA 1 59 ARG HA . . 5.270 4.753 4.683 4.848 . 0 0 "[ . 1 . 2]" 1
642 1 58 ARG HA 1 60 LYS H . . 4.900 4.061 3.774 4.377 . 0 0 "[ . 1 . 2]" 1
643 1 58 ARG HA 1 60 LYS QE . . 4.120 3.957 3.444 4.221 0.101 15 0 "[ . 1 . 2]" 1
644 1 58 ARG HA 1 61 ASN H . . 4.100 4.061 3.815 4.152 0.052 10 0 "[ . 1 . 2]" 1
645 1 58 ARG QB 1 59 ARG H . . 3.570 2.882 2.585 3.650 0.080 11 0 "[ . 1 . 2]" 1
646 1 58 ARG QB 1 59 ARG HA . . 5.090 4.071 3.584 4.673 . 0 0 "[ . 1 . 2]" 1
647 1 58 ARG HB2 1 59 ARG H . . 4.180 3.017 2.717 4.089 . 0 0 "[ . 1 . 2]" 1
648 1 58 ARG HB2 1 66 PHE HA . . 5.920 2.951 2.169 4.813 . 0 0 "[ . 1 . 2]" 1
649 1 58 ARG HB2 1 66 PHE QD . . 5.250 3.461 2.859 4.843 . 0 0 "[ . 1 . 2]" 1
650 1 58 ARG HB3 1 59 ARG H . . 4.180 3.705 3.087 4.106 . 0 0 "[ . 1 . 2]" 1
651 1 58 ARG HG2 1 59 ARG H . . 5.130 5.000 2.863 5.242 0.112 15 0 "[ . 1 . 2]" 1
652 1 59 ARG H 1 59 ARG HB2 . . 3.830 2.529 2.345 2.646 . 0 0 "[ . 1 . 2]" 1
653 1 59 ARG H 1 59 ARG HB3 . . 3.350 2.539 2.394 2.717 . 0 0 "[ . 1 . 2]" 1
654 1 59 ARG H 1 59 ARG QD . . 4.640 4.426 4.250 4.729 0.089 10 0 "[ . 1 . 2]" 1
655 1 59 ARG H 1 59 ARG HG2 . . 4.500 4.517 4.416 4.559 0.059 1 0 "[ . 1 . 2]" 1
656 1 59 ARG H 1 59 ARG HG3 . . 4.600 4.477 4.272 4.537 . 0 0 "[ . 1 . 2]" 1
657 1 59 ARG H 1 60 LYS H . . 3.300 2.772 2.623 2.866 . 0 0 "[ . 1 . 2]" 1
658 1 59 ARG H 1 60 LYS QB . . 4.790 4.767 4.620 4.818 0.028 14 0 "[ . 1 . 2]" 1
659 1 59 ARG H 1 61 ASN H . . 4.700 4.578 4.329 4.777 0.077 10 0 "[ . 1 . 2]" 1
660 1 59 ARG H 1 62 GLY H . . 5.400 5.167 4.793 5.424 0.024 12 0 "[ . 1 . 2]" 1
661 1 59 ARG H 1 66 PHE QD . . 4.850 3.938 3.688 4.126 . 0 0 "[ . 1 . 2]" 1
662 1 59 ARG H 1 66 PHE QE . . 5.090 4.863 4.582 5.102 0.012 4 0 "[ . 1 . 2]" 1
663 1 59 ARG HA 1 59 ARG QD . . 4.360 3.820 3.732 4.036 . 0 0 "[ . 1 . 2]" 1
664 1 59 ARG HA 1 59 ARG HG2 . . 3.900 3.266 2.695 3.407 . 0 0 "[ . 1 . 2]" 1
665 1 59 ARG HA 1 59 ARG QG . . 3.410 2.373 2.265 2.545 . 0 0 "[ . 1 . 2]" 1
666 1 59 ARG HA 1 59 ARG HG3 . . 3.900 2.441 2.319 2.631 . 0 0 "[ . 1 . 2]" 1
667 1 59 ARG HA 1 61 ASN H . . 4.900 3.685 3.383 4.116 . 0 0 "[ . 1 . 2]" 1
668 1 59 ARG HA 1 62 GLY H . . 3.870 2.863 2.485 3.106 . 0 0 "[ . 1 . 2]" 1
669 1 59 ARG HA 1 63 VAL H . . 4.540 4.499 4.197 4.594 0.054 5 0 "[ . 1 . 2]" 1
670 1 59 ARG HA 1 66 PHE QE . . 3.370 2.639 2.298 2.786 . 0 0 "[ . 1 . 2]" 1
671 1 59 ARG HB2 1 59 ARG QD . . 3.570 2.332 2.208 2.959 . 0 0 "[ . 1 . 2]" 1
672 1 59 ARG HB2 1 60 LYS H . . 4.900 4.255 4.093 4.387 . 0 0 "[ . 1 . 2]" 1
673 1 59 ARG HB2 1 66 PHE QD . . 4.650 3.331 2.492 3.795 . 0 0 "[ . 1 . 2]" 1
674 1 59 ARG HB3 1 59 ARG QD . . 3.610 2.570 2.369 2.889 . 0 0 "[ . 1 . 2]" 1
675 1 59 ARG HB3 1 60 LYS H . . 3.920 3.253 3.020 3.387 . 0 0 "[ . 1 . 2]" 1
676 1 59 ARG HB3 1 66 PHE QD . . 5.000 4.735 4.086 5.012 0.012 10 0 "[ . 1 . 2]" 1
677 1 59 ARG HB3 1 66 PHE QE . . 5.210 4.942 4.805 5.091 . 0 0 "[ . 1 . 2]" 1
678 1 59 ARG QD 1 66 PHE QE . . 3.670 2.955 2.570 3.716 0.046 10 0 "[ . 1 . 2]" 1
679 1 59 ARG QD 1 66 PHE HZ . . 4.200 4.214 4.085 4.281 0.081 10 0 "[ . 1 . 2]" 1
680 1 59 ARG QG 1 60 LYS H . . 4.560 4.053 3.740 4.324 . 0 0 "[ . 1 . 2]" 1
681 1 59 ARG QG 1 60 LYS HA . . 4.880 4.282 4.013 4.650 . 0 0 "[ . 1 . 2]" 1
682 1 59 ARG HG2 1 66 PHE QE . . 4.470 4.421 3.819 4.498 0.028 6 0 "[ . 1 . 2]" 1
683 1 59 ARG HG3 1 66 PHE QD . . 4.210 3.975 3.367 4.225 0.015 14 0 "[ . 1 . 2]" 1
684 1 59 ARG HG3 1 66 PHE QE . . 4.760 3.006 2.698 3.133 . 0 0 "[ . 1 . 2]" 1
685 1 60 LYS H 1 60 LYS QB . . 2.600 2.330 2.252 2.432 . 0 0 "[ . 1 . 2]" 1
686 1 60 LYS H 1 60 LYS QD . . 5.230 3.798 3.565 4.477 . 0 0 "[ . 1 . 2]" 1
687 1 60 LYS H 1 60 LYS QE . . 4.840 4.516 3.654 4.844 0.004 4 0 "[ . 1 . 2]" 1
688 1 60 LYS H 1 60 LYS HG2 . . 4.390 2.545 2.229 2.780 . 0 0 "[ . 1 . 2]" 1
689 1 60 LYS H 1 60 LYS QG . . 3.530 2.507 2.203 2.728 . 0 0 "[ . 1 . 2]" 1
690 1 60 LYS H 1 60 LYS HG3 . . 4.390 3.781 3.454 3.963 . 0 0 "[ . 1 . 2]" 1
691 1 60 LYS H 1 61 ASN H . . 3.300 2.990 2.827 3.142 . 0 0 "[ . 1 . 2]" 1
692 1 60 LYS H 1 61 ASN QD . . 5.040 4.576 3.749 5.069 0.029 10 0 "[ . 1 . 2]" 1
693 1 60 LYS HA 1 60 LYS QB . . 2.780 2.154 2.112 2.167 . 0 0 "[ . 1 . 2]" 1
694 1 60 LYS HA 1 60 LYS QD . . 4.270 4.258 4.182 4.362 0.092 9 0 "[ . 1 . 2]" 1
695 1 60 LYS QB 1 60 LYS QE . . 3.910 3.485 2.249 3.617 . 0 0 "[ . 1 . 2]" 1
696 1 60 LYS QB 1 61 ASN H . . 3.700 3.648 3.559 3.698 . 0 0 "[ . 1 . 2]" 1
697 1 60 LYS QB 1 61 ASN HA . . 4.700 4.681 4.573 4.740 0.040 19 0 "[ . 1 . 2]" 1
698 1 60 LYS QB 1 61 ASN HD21 . . 4.850 4.619 4.390 4.779 . 0 0 "[ . 1 . 2]" 1
699 1 60 LYS QB 1 61 ASN QD . . 4.180 4.199 4.004 4.255 0.075 16 0 "[ . 1 . 2]" 1
700 1 60 LYS QB 1 61 ASN HD22 . . 5.150 4.832 4.619 5.028 . 0 0 "[ . 1 . 2]" 1
701 1 60 LYS QB 1 62 GLY H . . 5.390 5.142 5.044 5.311 . 0 0 "[ . 1 . 2]" 1
702 1 60 LYS HB2 1 61 ASN H . . 4.900 4.097 3.984 4.178 . 0 0 "[ . 1 . 2]" 1
703 1 60 LYS QD 1 61 ASN H . . 4.540 4.565 4.421 4.642 0.102 1 0 "[ . 1 . 2]" 1
704 1 60 LYS QE 1 60 LYS HG2 . . 3.710 2.412 2.296 2.578 . 0 0 "[ . 1 . 2]" 1
705 1 60 LYS QE 1 60 LYS HG3 . . 3.710 2.441 2.240 3.301 . 0 0 "[ . 1 . 2]" 1
706 1 60 LYS QG 1 61 ASN H . . 4.560 2.475 2.312 2.584 . 0 0 "[ . 1 . 2]" 1
707 1 61 ASN H 1 61 ASN HB2 . . 3.220 2.425 2.343 2.587 . 0 0 "[ . 1 . 2]" 1
708 1 61 ASN H 1 61 ASN HB3 . . 3.580 3.617 3.594 3.645 0.065 15 0 "[ . 1 . 2]" 1
709 1 61 ASN H 1 61 ASN QD . . 3.750 2.727 1.978 3.275 . 0 0 "[ . 1 . 2]" 1
710 1 61 ASN H 1 62 GLY H . . 3.070 2.451 2.282 2.600 . 0 0 "[ . 1 . 2]" 1
711 1 61 ASN H 1 63 VAL H . . 4.500 4.419 4.145 4.596 0.096 11 0 "[ . 1 . 2]" 1
712 1 61 ASN H 1 63 VAL MG1 . . 4.500 4.307 3.829 4.522 0.022 4 0 "[ . 1 . 2]" 1
713 1 61 ASN HA 1 61 ASN HD21 . . 3.960 3.981 3.787 4.067 0.107 8 0 "[ . 1 . 2]" 1
714 1 61 ASN HA 1 61 ASN QD . . 3.700 3.680 3.508 3.747 0.047 5 0 "[ . 1 . 2]" 1
715 1 61 ASN HA 1 61 ASN HD22 . . 4.810 4.338 4.143 4.556 . 0 0 "[ . 1 . 2]" 1
716 1 61 ASN HA 1 62 GLY H . . 3.530 3.441 3.289 3.535 0.005 19 0 "[ . 1 . 2]" 1
717 1 61 ASN HA 1 63 VAL QG . . 4.910 4.003 3.621 4.473 . 0 0 "[ . 1 . 2]" 1
718 1 61 ASN QB 1 62 GLY H . . 3.900 3.247 2.961 3.632 . 0 0 "[ . 1 . 2]" 1
719 1 61 ASN QB 1 62 GLY QA . . 4.870 4.315 4.139 4.466 . 0 0 "[ . 1 . 2]" 1
720 1 61 ASN QB 1 63 VAL H . . 4.190 3.220 2.771 3.515 . 0 0 "[ . 1 . 2]" 1
721 1 61 ASN QB 1 63 VAL QG . . 3.230 2.165 1.973 2.529 . 0 0 "[ . 1 . 2]" 1
722 1 61 ASN HB2 1 61 ASN HD22 . . 3.530 3.523 3.482 3.557 0.027 7 0 "[ . 1 . 2]" 1
723 1 61 ASN HB2 1 62 GLY H . . 4.650 3.414 3.043 3.906 . 0 0 "[ . 1 . 2]" 1
724 1 61 ASN HB2 1 63 VAL H . . 4.270 3.537 2.875 3.958 . 0 0 "[ . 1 . 2]" 1
725 1 61 ASN HB3 1 62 GLY H . . 4.650 4.099 3.912 4.320 . 0 0 "[ . 1 . 2]" 1
726 1 61 ASN HB3 1 63 VAL H . . 4.240 3.756 3.584 3.954 . 0 0 "[ . 1 . 2]" 1
727 1 61 ASN QD 1 63 VAL QG . . 4.330 4.164 3.849 4.336 0.006 6 0 "[ . 1 . 2]" 1
728 1 61 ASN HD21 1 63 VAL MG1 . . 4.610 4.436 4.047 4.638 0.028 13 0 "[ . 1 . 2]" 1
729 1 62 GLY H 1 63 VAL H . . 3.020 2.924 2.819 2.999 . 0 0 "[ . 1 . 2]" 1
730 1 62 GLY H 1 63 VAL MG1 . . 3.840 3.863 3.840 3.888 0.048 12 0 "[ . 1 . 2]" 1
731 1 62 GLY H 1 63 VAL QG . . 3.990 3.820 3.789 3.846 . 0 0 "[ . 1 . 2]" 1
732 1 62 GLY H 1 66 PHE QE . . 4.110 3.132 2.823 3.472 . 0 0 "[ . 1 . 2]" 1
733 1 62 GLY H 1 66 PHE HZ . . 5.330 4.087 3.759 4.547 . 0 0 "[ . 1 . 2]" 1
734 1 62 GLY HA2 1 66 PHE QD . . 5.500 4.993 4.536 5.453 . 0 0 "[ . 1 . 2]" 1
735 1 62 GLY HA2 1 66 PHE QE . . 4.400 2.880 2.436 3.348 . 0 0 "[ . 1 . 2]" 1
736 1 63 VAL H 1 63 VAL HB . . 3.650 2.861 2.612 3.123 . 0 0 "[ . 1 . 2]" 1
737 1 63 VAL H 1 63 VAL MG1 . . 3.890 1.956 1.845 2.108 . 0 0 "[ . 1 . 2]" 1
738 1 63 VAL H 1 63 VAL QG . . 2.760 1.951 1.840 2.099 . 0 0 "[ . 1 . 2]" 1
739 1 63 VAL H 1 63 VAL MG2 . . 3.800 3.831 3.747 3.900 0.100 12 0 "[ . 1 . 2]" 1
740 1 63 VAL H 1 64 LYS H . . 4.030 2.419 1.991 2.915 . 0 0 "[ . 1 . 2]" 1
741 1 63 VAL H 1 64 LYS QG . . 4.940 3.544 3.216 4.054 . 0 0 "[ . 1 . 2]" 1
742 1 63 VAL H 1 66 PHE QE . . 3.890 2.636 2.330 3.154 . 0 0 "[ . 1 . 2]" 1
743 1 63 VAL H 1 66 PHE HZ . . 4.120 4.129 3.726 4.194 0.074 7 0 "[ . 1 . 2]" 1
744 1 63 VAL HA 1 63 VAL MG1 . . 3.340 3.266 3.239 3.285 . 0 0 "[ . 1 . 2]" 1
745 1 63 VAL HA 1 63 VAL QG . . 2.830 2.317 2.241 2.420 . 0 0 "[ . 1 . 2]" 1
746 1 63 VAL HA 1 63 VAL MG2 . . 3.340 2.370 2.282 2.496 . 0 0 "[ . 1 . 2]" 1
747 1 63 VAL HA 1 64 LYS H . . 3.570 3.508 3.296 3.589 0.019 6 0 "[ . 1 . 2]" 1
748 1 63 VAL HB 1 64 LYS H . . 4.740 4.115 3.768 4.428 . 0 0 "[ . 1 . 2]" 1
749 1 63 VAL QG 1 64 LYS H . . 3.690 2.374 1.700 3.048 . 0 0 "[ . 1 . 2]" 1
750 1 63 VAL QG 1 65 PRO QD . . 4.840 4.659 4.449 4.860 0.020 11 0 "[ . 1 . 2]" 1
751 1 63 VAL MG1 1 64 LYS H . . 4.570 2.408 1.724 3.123 . 0 0 "[ . 1 . 2]" 1
752 1 63 VAL MG2 1 64 LYS H . . 4.570 3.650 2.605 4.243 . 0 0 "[ . 1 . 2]" 1
753 1 64 LYS H 1 64 LYS QB . . 2.870 2.786 2.491 2.964 0.094 7 0 "[ . 1 . 2]" 1
754 1 64 LYS H 1 64 LYS QE . . 5.010 4.527 4.146 5.024 0.014 2 0 "[ . 1 . 2]" 1
755 1 64 LYS H 1 64 LYS HG2 . . 4.130 2.403 2.143 2.830 . 0 0 "[ . 1 . 2]" 1
756 1 64 LYS H 1 64 LYS QG . . 3.440 2.208 2.049 2.458 . 0 0 "[ . 1 . 2]" 1
757 1 64 LYS H 1 64 LYS HG3 . . 4.130 2.641 2.343 3.081 . 0 0 "[ . 1 . 2]" 1
758 1 64 LYS HA 1 64 LYS QE . . 4.560 4.331 4.096 4.516 . 0 0 "[ . 1 . 2]" 1
759 1 64 LYS HA 1 64 LYS HG2 . . 4.210 3.960 3.897 4.075 . 0 0 "[ . 1 . 2]" 1
760 1 64 LYS HA 1 64 LYS QG . . 3.550 3.398 3.377 3.433 . 0 0 "[ . 1 . 2]" 1
761 1 64 LYS HA 1 64 LYS HG3 . . 4.210 3.702 3.652 3.749 . 0 0 "[ . 1 . 2]" 1
762 1 64 LYS HA 1 65 PRO HB3 . . 5.140 5.175 5.144 5.190 0.050 15 0 "[ . 1 . 2]" 1
763 1 64 LYS QB 1 64 LYS QE . . 2.850 2.076 1.965 2.219 . 0 0 "[ . 1 . 2]" 1
764 1 64 LYS QB 1 65 PRO HB2 . . 5.500 5.051 4.877 5.252 . 0 0 "[ . 1 . 2]" 1
765 1 64 LYS QB 1 65 PRO QD . . 4.920 2.052 1.991 2.123 . 0 0 "[ . 1 . 2]" 1
766 1 64 LYS QD 1 66 PHE H . . 4.790 4.857 4.800 4.903 0.113 19 0 "[ . 1 . 2]" 1
767 1 64 LYS QD 1 66 PHE QD . . 3.840 3.613 3.153 3.897 0.057 8 0 "[ . 1 . 2]" 1
768 1 64 LYS QE 1 64 LYS HG2 . . 3.760 2.795 2.442 3.267 . 0 0 "[ . 1 . 2]" 1
769 1 64 LYS QE 1 64 LYS QG . . 3.190 2.664 2.383 3.010 . 0 0 "[ . 1 . 2]" 1
770 1 64 LYS QE 1 64 LYS HG3 . . 3.760 3.418 3.308 3.560 . 0 0 "[ . 1 . 2]" 1
771 1 64 LYS QG 1 65 PRO HA . . 4.590 4.465 4.135 4.628 0.038 11 0 "[ . 1 . 2]" 1
772 1 64 LYS HG2 1 66 PHE QD . . 4.900 3.785 3.160 4.479 . 0 0 "[ . 1 . 2]" 1
773 1 64 LYS HG2 1 66 PHE QE . . 5.300 4.004 3.545 4.524 . 0 0 "[ . 1 . 2]" 1
774 1 64 LYS HG3 1 66 PHE H . . 5.220 4.281 3.848 4.725 . 0 0 "[ . 1 . 2]" 1
775 1 64 LYS HG3 1 66 PHE QD . . 3.970 2.634 2.275 3.261 . 0 0 "[ . 1 . 2]" 1
776 1 64 LYS HG3 1 66 PHE QE . . 3.930 3.540 2.966 3.941 0.011 18 0 "[ . 1 . 2]" 1
777 1 65 PRO HA 1 67 MET H . . 4.410 4.146 3.860 4.422 0.012 7 0 "[ . 1 . 2]" 1
778 1 65 PRO HB2 1 66 PHE H . . 4.290 3.798 3.503 4.031 . 0 0 "[ . 1 . 2]" 1
779 1 65 PRO QD 1 69 THR MG . . 4.800 4.666 4.030 4.855 0.055 16 0 "[ . 1 . 2]" 1
780 1 65 PRO HD2 1 69 THR MG . . 5.300 5.093 4.391 5.344 0.044 8 0 "[ . 1 . 2]" 1
781 1 65 PRO QG 1 69 THR MG . . 3.360 3.068 2.442 3.357 . 0 0 "[ . 1 . 2]" 1
782 1 65 PRO HG2 1 69 THR MG . . 3.910 3.388 2.705 3.696 . 0 0 "[ . 1 . 2]" 1
783 1 65 PRO HG3 1 69 THR MG . . 3.910 3.573 2.781 3.941 0.031 15 0 "[ . 1 . 2]" 1
784 1 66 PHE H 1 66 PHE QD . . 4.840 3.053 2.771 3.193 . 0 0 "[ . 1 . 2]" 1
785 1 66 PHE H 1 67 MET H . . 4.350 2.700 2.327 2.921 . 0 0 "[ . 1 . 2]" 1
786 1 66 PHE HA 1 66 PHE QD . . 2.960 2.284 2.211 2.367 . 0 0 "[ . 1 . 2]" 1
787 1 66 PHE HA 1 66 PHE QE . . 4.700 4.566 4.404 4.706 0.006 8 0 "[ . 1 . 2]" 1
788 1 66 PHE HB2 1 67 MET H . . 3.740 2.414 2.306 2.525 . 0 0 "[ . 1 . 2]" 1
789 1 66 PHE HB3 1 67 MET H . . 3.510 3.578 3.532 3.630 0.120 5 0 "[ . 1 . 2]" 1
790 1 66 PHE QD 1 67 MET H . . 4.130 4.162 4.005 4.214 0.084 7 0 "[ . 1 . 2]" 1
791 1 67 MET H 1 67 MET HB2 . . 3.150 2.275 2.245 2.312 . 0 0 "[ . 1 . 2]" 1
792 1 67 MET H 1 67 MET QB . . 2.750 2.250 2.222 2.285 . 0 0 "[ . 1 . 2]" 1
793 1 67 MET H 1 67 MET HB3 . . 3.530 3.556 3.541 3.578 0.048 11 0 "[ . 1 . 2]" 1
794 1 67 MET H 1 67 MET ME . . 4.770 4.735 4.609 4.810 0.040 8 0 "[ . 1 . 2]" 1
795 1 67 MET H 1 67 MET HG2 . . 4.030 2.755 2.642 2.886 . 0 0 "[ . 1 . 2]" 1
796 1 67 MET H 1 67 MET QG . . 3.340 2.700 2.594 2.821 . 0 0 "[ . 1 . 2]" 1
797 1 67 MET H 1 67 MET HG3 . . 4.030 3.875 3.790 3.976 . 0 0 "[ . 1 . 2]" 1
798 1 67 MET H 1 68 PRO HD2 . . 4.920 4.936 4.796 4.960 0.040 14 0 "[ . 1 . 2]" 1
799 1 67 MET H 1 68 PRO HD3 . . 5.100 4.656 4.553 4.868 . 0 0 "[ . 1 . 2]" 1
800 1 67 MET HA 1 67 MET ME . . 3.820 3.822 3.662 3.872 0.052 20 0 "[ . 1 . 2]" 1
801 1 67 MET HA 1 68 PRO HD3 . . 3.690 2.422 2.350 2.689 . 0 0 "[ . 1 . 2]" 1
802 1 67 MET HA 1 68 PRO QG . . 4.750 3.959 3.854 3.984 . 0 0 "[ . 1 . 2]" 1
803 1 67 MET ME 1 67 MET HG2 . . 3.310 2.439 2.386 2.523 . 0 0 "[ . 1 . 2]" 1
804 1 67 MET ME 1 67 MET QG . . 2.810 2.204 2.169 2.260 . 0 0 "[ . 1 . 2]" 1
805 1 67 MET ME 1 67 MET HG3 . . 3.310 2.515 2.445 2.624 . 0 0 "[ . 1 . 2]" 1
806 1 68 PRO HA 1 69 THR H . . 3.410 2.218 2.081 2.361 . 0 0 "[ . 1 . 2]" 1
807 1 68 PRO HA 1 69 THR MG . . 3.870 3.618 3.326 3.840 . 0 0 "[ . 1 . 2]" 1
808 1 68 PRO QB 1 69 THR H . . 3.930 2.992 2.658 3.183 . 0 0 "[ . 1 . 2]" 1
809 1 68 PRO QB 1 69 THR MG . . 4.910 4.642 4.408 4.782 . 0 0 "[ . 1 . 2]" 1
810 1 69 THR H 1 69 THR MG . . 3.180 2.357 2.171 2.512 . 0 0 "[ . 1 . 2]" 1
811 1 69 THR H 1 70 ALA H . . 4.500 4.584 4.560 4.601 0.101 6 0 "[ . 1 . 2]" 1
812 1 69 THR H 1 71 ALA H . . 5.500 5.393 5.197 5.514 0.014 17 0 "[ . 1 . 2]" 1
813 1 69 THR H 1 72 GLU HB2 . . 4.500 2.515 2.266 2.763 . 0 0 "[ . 1 . 2]" 1
814 1 69 THR H 1 72 GLU QB . . 3.810 2.483 2.243 2.723 . 0 0 "[ . 1 . 2]" 1
815 1 69 THR H 1 72 GLU HB3 . . 4.500 3.842 3.587 4.104 . 0 0 "[ . 1 . 2]" 1
816 1 69 THR H 1 72 GLU HG2 . . 4.950 4.337 3.399 4.651 . 0 0 "[ . 1 . 2]" 1
817 1 69 THR H 1 72 GLU QG . . 4.640 3.142 2.377 3.524 . 0 0 "[ . 1 . 2]" 1
818 1 69 THR HA 1 69 THR MG . . 3.280 2.430 2.324 2.534 . 0 0 "[ . 1 . 2]" 1
819 1 69 THR HA 1 70 ALA HA . . 4.720 4.150 4.009 4.278 . 0 0 "[ . 1 . 2]" 1
820 1 69 THR HA 1 71 ALA H . . 5.000 4.852 4.573 5.003 0.003 16 0 "[ . 1 . 2]" 1
821 1 69 THR HA 1 72 GLU HB2 . . 5.600 4.555 4.403 4.698 . 0 0 "[ . 1 . 2]" 1
822 1 69 THR HA 1 73 ARG H . . 4.700 4.759 4.702 4.804 0.104 13 0 "[ . 1 . 2]" 1
823 1 69 THR HB 1 70 ALA H . . 3.370 2.356 2.272 2.475 . 0 0 "[ . 1 . 2]" 1
824 1 69 THR MG 1 72 GLU QG . . 4.380 3.909 3.018 4.186 . 0 0 "[ . 1 . 2]" 1
825 1 70 ALA H 1 70 ALA MB . . 3.110 2.211 2.182 2.255 . 0 0 "[ . 1 . 2]" 1
826 1 70 ALA H 1 71 ALA H . . 3.300 3.130 2.853 3.303 0.003 5 0 "[ . 1 . 2]" 1
827 1 70 ALA H 1 72 GLU H . . 4.700 4.344 4.160 4.500 . 0 0 "[ . 1 . 2]" 1
828 1 70 ALA HA 1 72 GLU H . . 4.900 4.323 4.103 4.442 . 0 0 "[ . 1 . 2]" 1
829 1 70 ALA HA 1 73 ARG H . . 3.900 3.633 3.469 3.860 . 0 0 "[ . 1 . 2]" 1
830 1 70 ALA HA 1 73 ARG HB2 . . 5.600 2.858 2.357 3.561 . 0 0 "[ . 1 . 2]" 1
831 1 70 ALA HA 1 73 ARG QB . . 3.920 2.538 2.339 2.831 . 0 0 "[ . 1 . 2]" 1
832 1 70 ALA HA 1 73 ARG QD . . 4.830 3.087 2.192 4.279 . 0 0 "[ . 1 . 2]" 1
833 1 70 ALA HA 1 73 ARG QG . . 4.750 3.905 3.298 4.570 . 0 0 "[ . 1 . 2]" 1
834 1 70 ALA HA 1 74 ASP H . . 4.610 4.001 3.856 4.155 . 0 0 "[ . 1 . 2]" 1
835 1 70 ALA MB 1 71 ALA H . . 4.900 2.621 2.432 2.760 . 0 0 "[ . 1 . 2]" 1
836 1 70 ALA MB 1 73 ARG H . . 5.500 4.822 4.721 4.922 . 0 0 "[ . 1 . 2]" 1
837 1 70 ALA MB 1 73 ARG QB . . 5.500 3.955 3.749 4.230 . 0 0 "[ . 1 . 2]" 1
838 1 70 ALA MB 1 74 ASP H . . 5.320 4.649 4.555 4.746 . 0 0 "[ . 1 . 2]" 1
839 1 70 ALA MB 1 74 ASP HB2 . . 5.000 4.602 4.463 4.809 . 0 0 "[ . 1 . 2]" 1
840 1 71 ALA H 1 71 ALA MB . . 2.650 2.213 2.179 2.253 . 0 0 "[ . 1 . 2]" 1
841 1 71 ALA H 1 72 GLU H . . 3.300 2.688 2.581 2.818 . 0 0 "[ . 1 . 2]" 1
842 1 71 ALA H 1 73 ARG H . . 4.700 4.329 4.166 4.552 . 0 0 "[ . 1 . 2]" 1
843 1 71 ALA HA 1 73 ARG H . . 4.900 4.726 4.574 4.873 . 0 0 "[ . 1 . 2]" 1
844 1 71 ALA HA 1 74 ASP H . . 3.900 3.352 3.079 3.615 . 0 0 "[ . 1 . 2]" 1
845 1 71 ALA HA 1 74 ASP HB2 . . 4.170 3.235 2.829 3.640 . 0 0 "[ . 1 . 2]" 1
846 1 71 ALA HA 1 74 ASP HB3 . . 3.570 2.433 2.291 2.635 . 0 0 "[ . 1 . 2]" 1
847 1 71 ALA HA 1 75 GLU H . . 4.700 3.971 3.822 4.092 . 0 0 "[ . 1 . 2]" 1
848 1 71 ALA MB 1 72 GLU H . . 2.960 2.849 2.632 2.982 0.022 4 0 "[ . 1 . 2]" 1
849 1 71 ALA MB 1 72 GLU QB . . 5.210 4.502 4.282 4.632 . 0 0 "[ . 1 . 2]" 1
850 1 71 ALA MB 1 72 GLU QG . . 4.100 3.373 3.053 3.952 . 0 0 "[ . 1 . 2]" 1
851 1 71 ALA MB 1 73 ARG H . . 5.500 4.808 4.691 4.901 . 0 0 "[ . 1 . 2]" 1
852 1 71 ALA MB 1 74 ASP H . . 5.500 4.593 4.417 4.760 . 0 0 "[ . 1 . 2]" 1
853 1 72 GLU H 1 72 GLU HA . . 2.880 2.897 2.887 2.907 0.027 18 0 "[ . 1 . 2]" 1
854 1 72 GLU H 1 72 GLU HB2 . . 3.900 2.427 2.247 2.580 . 0 0 "[ . 1 . 2]" 1
855 1 72 GLU H 1 72 GLU QB . . 3.130 2.390 2.223 2.529 . 0 0 "[ . 1 . 2]" 1
856 1 72 GLU H 1 72 GLU HB3 . . 3.900 3.580 3.522 3.641 . 0 0 "[ . 1 . 2]" 1
857 1 72 GLU H 1 72 GLU HG2 . . 3.480 3.305 2.412 3.536 0.056 6 0 "[ . 1 . 2]" 1
858 1 72 GLU H 1 72 GLU QG . . 3.200 2.378 2.232 2.973 . 0 0 "[ . 1 . 2]" 1
859 1 72 GLU H 1 72 GLU HG3 . . 3.480 2.619 2.258 3.527 0.047 7 0 "[ . 1 . 2]" 1
860 1 72 GLU H 1 73 ARG H . . 3.300 2.510 2.404 2.613 . 0 0 "[ . 1 . 2]" 1
861 1 72 GLU H 1 74 ASP H . . 3.900 3.836 3.611 3.936 0.036 9 0 "[ . 1 . 2]" 1
862 1 72 GLU H 1 74 ASP HB3 . . 4.810 4.826 4.677 4.882 0.072 13 0 "[ . 1 . 2]" 1
863 1 72 GLU H 1 76 ILE MD . . 4.700 4.779 4.754 4.799 0.099 13 0 "[ . 1 . 2]" 1
864 1 72 GLU HA 1 72 GLU QG . . 3.430 2.488 2.297 2.843 . 0 0 "[ . 1 . 2]" 1
865 1 72 GLU HA 1 74 ASP H . . 4.900 4.421 4.246 4.535 . 0 0 "[ . 1 . 2]" 1
866 1 72 GLU HA 1 75 GLU H . . 3.900 3.456 3.272 3.570 . 0 0 "[ . 1 . 2]" 1
867 1 72 GLU HA 1 75 GLU HB2 . . 5.600 5.031 4.888 5.151 . 0 0 "[ . 1 . 2]" 1
868 1 72 GLU HA 1 75 GLU HG2 . . 3.360 2.050 1.946 2.134 . 0 0 "[ . 1 . 2]" 1
869 1 72 GLU HA 1 75 GLU QG . . 2.940 2.029 1.935 2.112 . 0 0 "[ . 1 . 2]" 1
870 1 72 GLU HA 1 75 GLU HG3 . . 3.360 3.307 2.740 3.393 0.033 5 0 "[ . 1 . 2]" 1
871 1 72 GLU HA 1 76 ILE H . . 4.700 3.979 3.798 4.113 . 0 0 "[ . 1 . 2]" 1
872 1 72 GLU HA 1 76 ILE MD . . 3.560 3.366 3.139 3.532 . 0 0 "[ . 1 . 2]" 1
873 1 72 GLU QB 1 73 ARG H . . 3.920 2.367 2.218 2.473 . 0 0 "[ . 1 . 2]" 1
874 1 72 GLU HB2 1 73 ARG H . . 4.900 2.411 2.247 2.524 . 0 0 "[ . 1 . 2]" 1
875 1 72 GLU QG 1 73 ARG H . . 4.510 3.992 3.860 4.189 . 0 0 "[ . 1 . 2]" 1
876 1 72 GLU QG 1 76 ILE MD . . 4.150 3.980 3.736 4.166 0.016 4 0 "[ . 1 . 2]" 1
877 1 73 ARG H 1 73 ARG QB . . 3.300 2.329 2.102 2.522 . 0 0 "[ . 1 . 2]" 1
878 1 73 ARG H 1 73 ARG QG . . 4.760 2.888 2.109 3.971 . 0 0 "[ . 1 . 2]" 1
879 1 73 ARG H 1 74 ASP H . . 3.300 2.874 2.835 2.933 . 0 0 "[ . 1 . 2]" 1
880 1 73 ARG H 1 75 GLU H . . 4.700 4.608 4.548 4.673 . 0 0 "[ . 1 . 2]" 1
881 1 73 ARG H 1 76 ILE MD . . 4.370 3.599 3.471 3.778 . 0 0 "[ . 1 . 2]" 1
882 1 73 ARG HA 1 75 GLU H . . 4.900 4.898 4.772 4.928 0.028 11 0 "[ . 1 . 2]" 1
883 1 73 ARG HA 1 76 ILE H . . 3.900 3.706 3.431 3.885 . 0 0 "[ . 1 . 2]" 1
884 1 73 ARG HA 1 76 ILE HB . . 4.190 2.612 2.361 2.823 . 0 0 "[ . 1 . 2]" 1
885 1 73 ARG HA 1 76 ILE MD . . 3.710 2.723 2.386 3.147 . 0 0 "[ . 1 . 2]" 1
886 1 73 ARG HA 1 77 LEU H . . 4.700 3.829 3.662 4.024 . 0 0 "[ . 1 . 2]" 1
887 1 73 ARG QB 1 74 ASP HA . . 4.180 4.072 3.852 4.225 0.045 11 0 "[ . 1 . 2]" 1
888 1 73 ARG QB 1 74 ASP HB3 . . 5.120 4.706 4.504 4.917 . 0 0 "[ . 1 . 2]" 1
889 1 73 ARG HB2 1 74 ASP H . . 4.900 3.058 2.482 3.821 . 0 0 "[ . 1 . 2]" 1
890 1 74 ASP H 1 74 ASP HB2 . . 3.040 2.511 2.377 2.647 . 0 0 "[ . 1 . 2]" 1
891 1 74 ASP H 1 74 ASP HB3 . . 2.780 2.453 2.336 2.624 . 0 0 "[ . 1 . 2]" 1
892 1 74 ASP H 1 75 GLU H . . 3.300 2.975 2.897 3.039 . 0 0 "[ . 1 . 2]" 1
893 1 74 ASP H 1 75 GLU QG . . 4.530 4.527 4.389 4.580 0.050 16 0 "[ . 1 . 2]" 1
894 1 74 ASP H 1 76 ILE H . . 4.700 4.135 4.038 4.240 . 0 0 "[ . 1 . 2]" 1
895 1 74 ASP H 1 77 LEU HB2 . . 5.500 5.108 5.030 5.166 . 0 0 "[ . 1 . 2]" 1
896 1 74 ASP HA 1 76 ILE H . . 4.900 4.400 4.281 4.525 . 0 0 "[ . 1 . 2]" 1
897 1 74 ASP HA 1 77 LEU H . . 3.900 3.708 3.523 3.793 . 0 0 "[ . 1 . 2]" 1
898 1 74 ASP HA 1 77 LEU HB2 . . 4.300 2.894 2.738 3.012 . 0 0 "[ . 1 . 2]" 1
899 1 74 ASP HA 1 77 LEU HB3 . . 4.480 4.447 4.307 4.531 0.051 16 0 "[ . 1 . 2]" 1
900 1 74 ASP HA 1 77 LEU MD1 . . 3.700 3.004 2.705 3.237 . 0 0 "[ . 1 . 2]" 1
901 1 74 ASP HA 1 78 ARG H . . 4.230 4.102 3.894 4.219 . 0 0 "[ . 1 . 2]" 1
902 1 74 ASP HB2 1 75 GLU H . . 3.850 3.889 3.867 3.914 0.064 8 0 "[ . 1 . 2]" 1
903 1 74 ASP HB2 1 77 LEU MD1 . . 5.290 4.729 4.484 4.936 . 0 0 "[ . 1 . 2]" 1
904 1 74 ASP HB3 1 75 GLU H . . 4.220 2.477 2.432 2.548 . 0 0 "[ . 1 . 2]" 1
905 1 74 ASP HB3 1 76 ILE H . . 4.880 4.858 4.789 4.891 0.011 10 0 "[ . 1 . 2]" 1
906 1 75 GLU H 1 75 GLU HB2 . . 3.590 3.648 3.618 3.674 0.084 10 0 "[ . 1 . 2]" 1
907 1 75 GLU H 1 75 GLU QB . . 3.230 2.506 2.404 2.591 . 0 0 "[ . 1 . 2]" 1
908 1 75 GLU H 1 75 GLU HB3 . . 3.750 2.553 2.440 2.648 . 0 0 "[ . 1 . 2]" 1
909 1 75 GLU H 1 75 GLU HG2 . . 3.780 2.444 2.254 2.658 . 0 0 "[ . 1 . 2]" 1
910 1 75 GLU H 1 75 GLU QG . . 3.260 2.391 2.225 2.530 . 0 0 "[ . 1 . 2]" 1
911 1 75 GLU H 1 75 GLU HG3 . . 3.780 3.457 2.989 3.690 . 0 0 "[ . 1 . 2]" 1
912 1 75 GLU H 1 76 ILE H . . 3.300 2.713 2.637 2.768 . 0 0 "[ . 1 . 2]" 1
913 1 75 GLU H 1 77 LEU H . . 4.700 4.492 4.390 4.613 . 0 0 "[ . 1 . 2]" 1
914 1 75 GLU HA 1 75 GLU HB2 . . 2.910 2.328 2.290 2.369 . 0 0 "[ . 1 . 2]" 1
915 1 75 GLU HA 1 75 GLU HB3 . . 2.910 2.465 2.415 2.496 . 0 0 "[ . 1 . 2]" 1
916 1 75 GLU HA 1 76 ILE HA . . 5.150 4.798 4.740 4.845 . 0 0 "[ . 1 . 2]" 1
917 1 75 GLU HA 1 77 LEU H . . 4.900 4.656 4.546 4.797 . 0 0 "[ . 1 . 2]" 1
918 1 75 GLU HA 1 78 ARG H . . 3.900 3.361 3.203 3.545 . 0 0 "[ . 1 . 2]" 1
919 1 75 GLU HA 1 78 ARG HB2 . . 5.600 2.279 2.100 2.510 . 0 0 "[ . 1 . 2]" 1
920 1 75 GLU HA 1 79 ALA H . . 4.700 4.018 3.867 4.186 . 0 0 "[ . 1 . 2]" 1
921 1 75 GLU HB2 1 76 ILE H . . 4.900 4.092 3.992 4.223 . 0 0 "[ . 1 . 2]" 1
922 1 75 GLU QG 1 76 ILE H . . 3.420 2.556 2.402 2.805 . 0 0 "[ . 1 . 2]" 1
923 1 75 GLU QG 1 76 ILE HA . . 3.720 3.572 3.362 3.736 0.016 11 0 "[ . 1 . 2]" 1
924 1 75 GLU QG 1 76 ILE MD . . 3.370 3.408 3.372 3.433 0.063 11 0 "[ . 1 . 2]" 1
925 1 76 ILE H 1 76 ILE HB . . 4.010 2.301 2.209 2.353 . 0 0 "[ . 1 . 2]" 1
926 1 76 ILE H 1 76 ILE MD . . 3.430 3.301 3.209 3.404 . 0 0 "[ . 1 . 2]" 1
927 1 76 ILE H 1 76 ILE HG12 . . 4.240 3.846 3.779 3.933 . 0 0 "[ . 1 . 2]" 1
928 1 76 ILE H 1 76 ILE QG . . 3.530 2.457 2.381 2.578 . 0 0 "[ . 1 . 2]" 1
929 1 76 ILE H 1 76 ILE HG13 . . 3.750 2.486 2.407 2.613 . 0 0 "[ . 1 . 2]" 1
930 1 76 ILE H 1 76 ILE MG . . 4.050 3.718 3.673 3.741 . 0 0 "[ . 1 . 2]" 1
931 1 76 ILE H 1 77 LEU H . . 3.300 2.695 2.602 2.793 . 0 0 "[ . 1 . 2]" 1
932 1 76 ILE H 1 78 ARG H . . 4.700 3.854 3.720 3.992 . 0 0 "[ . 1 . 2]" 1
933 1 76 ILE HA 1 76 ILE MD . . 3.870 3.866 3.835 3.883 0.013 14 0 "[ . 1 . 2]" 1
934 1 76 ILE HA 1 76 ILE HG12 . . 3.530 2.665 2.587 2.724 . 0 0 "[ . 1 . 2]" 1
935 1 76 ILE HA 1 76 ILE HG13 . . 3.530 2.647 2.543 2.700 . 0 0 "[ . 1 . 2]" 1
936 1 76 ILE HA 1 76 ILE MG . . 3.110 2.510 2.453 2.590 . 0 0 "[ . 1 . 2]" 1
937 1 76 ILE HA 1 78 ARG H . . 4.810 4.293 4.135 4.502 . 0 0 "[ . 1 . 2]" 1
938 1 76 ILE HA 1 79 ALA H . . 3.900 3.109 2.812 3.341 . 0 0 "[ . 1 . 2]" 1
939 1 76 ILE HA 1 79 ALA MB . . 3.450 2.348 2.162 2.463 . 0 0 "[ . 1 . 2]" 1
940 1 76 ILE HA 1 80 VAL H . . 4.700 4.198 4.077 4.306 . 0 0 "[ . 1 . 2]" 1
941 1 76 ILE HB 1 76 ILE MD . . 3.370 2.299 2.224 2.352 . 0 0 "[ . 1 . 2]" 1
942 1 76 ILE HB 1 77 LEU H . . 4.250 2.668 2.564 2.836 . 0 0 "[ . 1 . 2]" 1
943 1 76 ILE MG 1 77 LEU H . . 3.750 3.162 2.975 3.269 . 0 0 "[ . 1 . 2]" 1
944 1 76 ILE MG 1 77 LEU HA . . 3.820 3.529 3.343 3.662 . 0 0 "[ . 1 . 2]" 1
945 1 76 ILE MG 1 78 ARG H . . 4.840 4.901 4.871 4.918 0.078 20 0 "[ . 1 . 2]" 1
946 1 77 LEU H 1 77 LEU HB2 . . 3.920 2.258 2.218 2.305 . 0 0 "[ . 1 . 2]" 1
947 1 77 LEU H 1 77 LEU HB3 . . 4.120 3.538 3.519 3.558 . 0 0 "[ . 1 . 2]" 1
948 1 77 LEU H 1 77 LEU MD1 . . 4.080 3.462 3.334 3.565 . 0 0 "[ . 1 . 2]" 1
949 1 77 LEU H 1 77 LEU MD2 . . 4.190 3.833 3.700 3.922 . 0 0 "[ . 1 . 2]" 1
950 1 77 LEU H 1 77 LEU HG . . 3.560 2.619 2.509 2.767 . 0 0 "[ . 1 . 2]" 1
951 1 77 LEU H 1 78 ARG H . . 3.300 2.677 2.630 2.729 . 0 0 "[ . 1 . 2]" 1
952 1 77 LEU H 1 79 ALA H . . 4.700 4.099 4.027 4.183 . 0 0 "[ . 1 . 2]" 1
953 1 77 LEU HA 1 77 LEU MD1 . . 3.790 3.817 3.805 3.828 0.038 18 0 "[ . 1 . 2]" 1
954 1 77 LEU HA 1 77 LEU MD2 . . 3.040 2.121 2.081 2.168 . 0 0 "[ . 1 . 2]" 1
955 1 77 LEU HA 1 77 LEU HG . . 3.280 2.803 2.705 2.922 . 0 0 "[ . 1 . 2]" 1
956 1 77 LEU HA 1 79 ALA H . . 4.900 4.336 4.174 4.465 . 0 0 "[ . 1 . 2]" 1
957 1 77 LEU HA 1 80 VAL H . . 3.900 3.245 3.063 3.438 . 0 0 "[ . 1 . 2]" 1
958 1 77 LEU HA 1 80 VAL HB . . 5.600 2.813 2.590 2.976 . 0 0 "[ . 1 . 2]" 1
959 1 77 LEU HA 1 80 VAL QG . . 4.000 2.888 2.592 3.135 . 0 0 "[ . 1 . 2]" 1
960 1 77 LEU HA 1 81 GLY H . . 4.700 3.957 3.849 4.104 . 0 0 "[ . 1 . 2]" 1
961 1 77 LEU HB2 1 77 LEU MD1 . . 3.540 2.210 2.189 2.235 . 0 0 "[ . 1 . 2]" 1
962 1 77 LEU HB2 1 78 ARG H . . 4.250 2.761 2.722 2.803 . 0 0 "[ . 1 . 2]" 1
963 1 77 LEU HB2 1 79 ALA H . . 5.500 5.122 5.086 5.154 . 0 0 "[ . 1 . 2]" 1
964 1 77 LEU HB3 1 77 LEU MD1 . . 3.630 2.411 2.358 2.474 . 0 0 "[ . 1 . 2]" 1
965 1 77 LEU HB3 1 78 ARG H . . 4.500 3.486 3.389 3.532 . 0 0 "[ . 1 . 2]" 1
966 1 77 LEU HB3 1 79 ALA H . . 5.500 5.535 5.489 5.572 0.072 7 0 "[ . 1 . 2]" 1
967 1 77 LEU HB3 1 81 GLY H . . 5.500 4.871 4.756 4.997 . 0 0 "[ . 1 . 2]" 1
968 1 77 LEU MD1 1 78 ARG H . . 4.500 4.551 4.527 4.575 0.075 20 0 "[ . 1 . 2]" 1
969 1 77 LEU MD1 1 83 MET ME . . 3.440 3.125 2.333 3.446 0.006 2 0 "[ . 1 . 2]" 1
970 1 77 LEU MD1 1 84 PRO HD3 . . 5.080 4.620 4.268 5.052 . 0 0 "[ . 1 . 2]" 1
971 1 77 LEU MD1 1 85 TYR QE . . 5.160 4.839 4.287 5.164 0.004 15 0 "[ . 1 . 2]" 1
972 1 77 LEU MD2 1 80 VAL H . . 4.940 4.775 4.573 4.948 0.008 3 0 "[ . 1 . 2]" 1
973 1 77 LEU MD2 1 81 GLY H . . 4.910 4.943 4.918 4.981 0.071 18 0 "[ . 1 . 2]" 1
974 1 77 LEU MD2 1 83 MET HA . . 3.750 3.117 2.676 3.368 . 0 0 "[ . 1 . 2]" 1
975 1 77 LEU MD2 1 83 MET ME . . 3.380 2.351 2.106 2.836 . 0 0 "[ . 1 . 2]" 1
976 1 77 LEU MD2 1 84 PRO HD2 . . 3.750 2.868 2.460 3.149 . 0 0 "[ . 1 . 2]" 1
977 1 77 LEU MD2 1 84 PRO HD3 . . 4.290 2.222 1.950 2.563 . 0 0 "[ . 1 . 2]" 1
978 1 77 LEU MD2 1 85 TYR QE . . 3.760 3.791 3.657 3.841 0.081 6 0 "[ . 1 . 2]" 1
979 1 77 LEU HG 1 84 PRO HG3 . . 5.200 4.598 4.236 5.160 . 0 0 "[ . 1 . 2]" 1
980 1 78 ARG H 1 78 ARG HA . . 2.830 2.903 2.877 2.919 0.089 14 0 "[ . 1 . 2]" 1
981 1 78 ARG H 1 78 ARG QB . . 2.710 2.386 2.261 2.655 . 0 0 "[ . 1 . 2]" 1
982 1 78 ARG H 1 78 ARG HD2 . . 5.080 4.294 3.747 4.892 . 0 0 "[ . 1 . 2]" 1
983 1 78 ARG H 1 78 ARG QD . . 4.330 3.674 2.678 3.991 . 0 0 "[ . 1 . 2]" 1
984 1 78 ARG H 1 78 ARG HD3 . . 5.080 4.338 2.713 5.083 0.003 9 0 "[ . 1 . 2]" 1
985 1 78 ARG H 1 78 ARG HG2 . . 4.060 3.839 2.805 4.085 0.025 16 0 "[ . 1 . 2]" 1
986 1 78 ARG H 1 78 ARG HG3 . . 4.060 2.699 2.427 4.089 0.029 18 0 "[ . 1 . 2]" 1
987 1 78 ARG H 1 79 ALA H . . 3.110 2.675 2.602 2.709 . 0 0 "[ . 1 . 2]" 1
988 1 78 ARG H 1 79 ALA MB . . 4.340 4.349 4.306 4.368 0.028 20 0 "[ . 1 . 2]" 1
989 1 78 ARG H 1 80 VAL H . . 4.100 4.118 4.065 4.156 0.056 16 0 "[ . 1 . 2]" 1
990 1 78 ARG HA 1 78 ARG QD . . 4.290 3.976 2.211 4.180 . 0 0 "[ . 1 . 2]" 1
991 1 78 ARG HA 1 78 ARG HG2 . . 3.460 2.615 2.346 3.504 0.044 18 0 "[ . 1 . 2]" 1
992 1 78 ARG HA 1 78 ARG QG . . 3.030 2.396 2.202 3.107 0.077 18 0 "[ . 1 . 2]" 1
993 1 78 ARG HA 1 78 ARG HG3 . . 3.460 2.811 2.580 3.471 0.011 18 0 "[ . 1 . 2]" 1
994 1 78 ARG HA 1 80 VAL H . . 4.900 4.284 4.108 4.386 . 0 0 "[ . 1 . 2]" 1
995 1 78 ARG HA 1 81 GLY H . . 3.900 3.167 2.844 3.435 . 0 0 "[ . 1 . 2]" 1
996 1 78 ARG QB 1 78 ARG QD . . 3.170 2.273 2.072 2.779 . 0 0 "[ . 1 . 2]" 1
997 1 78 ARG HB2 1 79 ALA H . . 4.900 2.912 2.717 3.230 . 0 0 "[ . 1 . 2]" 1
998 1 79 ALA H 1 79 ALA MB . . 2.590 2.234 2.203 2.261 . 0 0 "[ . 1 . 2]" 1
999 1 79 ALA H 1 80 VAL H . . 3.100 2.738 2.603 2.858 . 0 0 "[ . 1 . 2]" 1
1000 1 79 ALA H 1 81 GLY H . . 4.430 4.045 3.806 4.279 . 0 0 "[ . 1 . 2]" 1
1001 1 79 ALA HA 1 80 VAL H . . 3.570 3.582 3.534 3.600 0.030 11 0 "[ . 1 . 2]" 1
1002 1 79 ALA HA 1 80 VAL QG . . 5.240 4.867 4.821 4.906 . 0 0 "[ . 1 . 2]" 1
1003 1 79 ALA HA 1 81 GLY H . . 4.900 4.406 4.249 4.548 . 0 0 "[ . 1 . 2]" 1
1004 1 79 ALA MB 1 80 VAL H . . 3.010 2.875 2.747 3.008 . 0 0 "[ . 1 . 2]" 1
1005 1 79 ALA MB 1 80 VAL HA . . 4.420 4.240 4.141 4.343 . 0 0 "[ . 1 . 2]" 1
1006 1 80 VAL H 1 80 VAL HB . . 2.960 2.513 2.452 2.650 . 0 0 "[ . 1 . 2]" 1
1007 1 80 VAL H 1 80 VAL MG1 . . 3.760 3.809 3.793 3.823 0.063 10 0 "[ . 1 . 2]" 1
1008 1 80 VAL H 1 80 VAL QG . . 2.730 2.267 2.197 2.345 . 0 0 "[ . 1 . 2]" 1
1009 1 80 VAL H 1 80 VAL MG2 . . 3.490 2.285 2.211 2.367 . 0 0 "[ . 1 . 2]" 1
1010 1 80 VAL H 1 81 GLY H . . 3.300 2.502 2.395 2.642 . 0 0 "[ . 1 . 2]" 1
1011 1 80 VAL H 1 81 GLY HA2 . . 4.960 4.693 4.522 4.882 . 0 0 "[ . 1 . 2]" 1
1012 1 80 VAL H 1 82 ASN H . . 4.300 4.345 4.298 4.395 0.095 20 0 "[ . 1 . 2]" 1
1013 1 80 VAL HA 1 80 VAL MG1 . . 3.020 2.405 2.323 2.462 . 0 0 "[ . 1 . 2]" 1
1014 1 80 VAL HA 1 80 VAL QG . . 2.630 2.151 2.126 2.164 . 0 0 "[ . 1 . 2]" 1
1015 1 80 VAL HA 1 80 VAL MG2 . . 3.020 2.428 2.387 2.535 . 0 0 "[ . 1 . 2]" 1
1016 1 80 VAL HA 1 82 ASN H . . 4.540 4.212 4.047 4.385 . 0 0 "[ . 1 . 2]" 1
1017 1 80 VAL HB 1 81 GLY H . . 3.320 2.571 2.466 2.650 . 0 0 "[ . 1 . 2]" 1
1018 1 80 VAL HB 1 81 GLY HA2 . . 5.410 4.685 4.524 4.770 . 0 0 "[ . 1 . 2]" 1
1019 1 80 VAL HB 1 82 ASN H . . 3.980 2.650 2.352 2.800 . 0 0 "[ . 1 . 2]" 1
1020 1 80 VAL HB 1 83 MET HA . . 5.500 5.220 4.881 5.434 . 0 0 "[ . 1 . 2]" 1
1021 1 80 VAL HB 1 84 PRO HG3 . . 5.500 4.813 4.404 5.224 . 0 0 "[ . 1 . 2]" 1
1022 1 80 VAL QG 1 81 GLY H . . 4.800 3.241 3.183 3.314 . 0 0 "[ . 1 . 2]" 1
1023 1 80 VAL QG 1 81 GLY HA3 . . 4.570 4.242 4.178 4.342 . 0 0 "[ . 1 . 2]" 1
1024 1 80 VAL QG 1 82 ASN H . . 3.530 2.241 2.084 2.390 . 0 0 "[ . 1 . 2]" 1
1025 1 80 VAL QG 1 83 MET HA . . 4.310 4.082 3.737 4.319 0.009 14 0 "[ . 1 . 2]" 1
1026 1 80 VAL QG 1 84 PRO QB . . 4.110 2.381 2.021 2.885 . 0 0 "[ . 1 . 2]" 1
1027 1 80 VAL QG 1 84 PRO HD2 . . 4.800 4.239 3.747 4.561 . 0 0 "[ . 1 . 2]" 1
1028 1 80 VAL QG 1 84 PRO HD3 . . 3.650 3.031 2.528 3.313 . 0 0 "[ . 1 . 2]" 1
1029 1 80 VAL MG1 1 81 GLY H . . 3.690 3.490 3.388 3.628 . 0 0 "[ . 1 . 2]" 1
1030 1 80 VAL MG1 1 83 MET HA . . 5.500 4.237 3.850 4.514 . 0 0 "[ . 1 . 2]" 1
1031 1 80 VAL MG1 1 84 PRO HD3 . . 4.220 3.256 2.728 3.619 . 0 0 "[ . 1 . 2]" 1
1032 1 80 VAL MG2 1 81 GLY H . . 3.850 3.849 3.773 3.893 0.043 9 0 "[ . 1 . 2]" 1
1033 1 80 VAL MG2 1 83 MET HA . . 5.500 5.348 4.928 5.522 0.022 19 0 "[ . 1 . 2]" 1
1034 1 80 VAL MG2 1 84 PRO HD3 . . 4.220 3.631 2.980 3.953 . 0 0 "[ . 1 . 2]" 1
1035 1 81 GLY H 1 81 GLY HA2 . . 2.790 2.318 2.285 2.335 . 0 0 "[ . 1 . 2]" 1
1036 1 81 GLY H 1 81 GLY HA3 . . 2.890 2.925 2.914 2.940 0.050 18 0 "[ . 1 . 2]" 1
1037 1 81 GLY H 1 82 ASN H . . 3.270 2.474 2.382 2.634 . 0 0 "[ . 1 . 2]" 1
1038 1 81 GLY H 1 82 ASN HA . . 5.000 5.020 4.882 5.054 0.054 19 0 "[ . 1 . 2]" 1
1039 1 81 GLY HA2 1 82 ASN H . . 3.560 3.205 3.092 3.302 . 0 0 "[ . 1 . 2]" 1
1040 1 81 GLY HA3 1 82 ASN H . . 3.340 3.330 3.239 3.380 0.040 1 0 "[ . 1 . 2]" 1
1041 1 82 ASN H 1 82 ASN QB . . 2.920 2.789 2.653 2.864 . 0 0 "[ . 1 . 2]" 1
1042 1 82 ASN H 1 83 MET H . . 4.780 4.356 4.297 4.414 . 0 0 "[ . 1 . 2]" 1
1043 1 82 ASN HA 1 82 ASN QD . . 4.510 3.728 2.315 4.187 . 0 0 "[ . 1 . 2]" 1
1044 1 82 ASN HA 1 83 MET H . . 3.090 2.570 2.379 2.775 . 0 0 "[ . 1 . 2]" 1
1045 1 82 ASN QB 1 83 MET H . . 3.630 3.178 2.937 3.419 . 0 0 "[ . 1 . 2]" 1
1046 1 82 ASN QD 1 83 MET H . . 4.940 3.090 2.190 3.615 . 0 0 "[ . 1 . 2]" 1
1047 1 82 ASN QD 1 83 MET QB . . 3.930 3.673 2.566 3.979 0.049 16 0 "[ . 1 . 2]" 1
1048 1 83 MET H 1 83 MET QB . . 3.170 2.154 2.072 2.268 . 0 0 "[ . 1 . 2]" 1
1049 1 83 MET H 1 83 MET QG . . 4.110 3.998 3.946 4.039 . 0 0 "[ . 1 . 2]" 1
1050 1 83 MET H 1 84 PRO HD2 . . 5.180 5.098 5.013 5.178 . 0 0 "[ . 1 . 2]" 1
1051 1 83 MET H 1 84 PRO HD3 . . 4.700 4.717 4.617 4.745 0.045 1 0 "[ . 1 . 2]" 1
1052 1 83 MET H 1 85 TYR H . . 5.000 5.059 5.017 5.110 0.110 4 0 "[ . 1 . 2]" 1
1053 1 83 MET HA 1 83 MET ME . . 3.900 2.045 1.996 2.105 . 0 0 "[ . 1 . 2]" 1
1054 1 83 MET HA 1 83 MET QG . . 3.810 2.602 2.545 2.647 . 0 0 "[ . 1 . 2]" 1
1055 1 83 MET HA 1 84 PRO HD2 . . 3.330 2.402 2.319 2.472 . 0 0 "[ . 1 . 2]" 1
1056 1 83 MET HA 1 84 PRO HD3 . . 3.190 2.316 2.254 2.382 . 0 0 "[ . 1 . 2]" 1
1057 1 83 MET HA 1 84 PRO HG2 . . 4.630 4.594 4.539 4.636 0.006 19 0 "[ . 1 . 2]" 1
1058 1 83 MET HA 1 85 TYR H . . 3.610 3.615 3.482 3.670 0.060 18 0 "[ . 1 . 2]" 1
1059 1 83 MET QB 1 84 PRO HD2 . . 4.310 3.963 3.898 4.140 . 0 0 "[ . 1 . 2]" 1
1060 1 83 MET QB 1 85 TYR H . . 3.570 3.247 3.033 3.558 . 0 0 "[ . 1 . 2]" 1
1061 1 83 MET QB 1 85 TYR QD . . 5.040 4.481 4.222 4.732 . 0 0 "[ . 1 . 2]" 1
1062 1 83 MET ME 1 83 MET QG . . 3.120 2.354 2.283 2.515 . 0 0 "[ . 1 . 2]" 1
1063 1 83 MET ME 1 84 PRO HD2 . . 3.750 2.083 1.985 2.313 . 0 0 "[ . 1 . 2]" 1
1064 1 83 MET ME 1 84 PRO HD3 . . 4.170 2.943 2.774 3.217 . 0 0 "[ . 1 . 2]" 1
1065 1 83 MET ME 1 85 TYR H . . 3.780 3.824 3.784 3.854 0.074 12 0 "[ . 1 . 2]" 1
1066 1 83 MET ME 1 85 TYR QD . . 4.730 3.654 3.250 3.977 . 0 0 "[ . 1 . 2]" 1
1067 1 83 MET ME 1 85 TYR QE . . 4.270 2.761 2.506 3.113 . 0 0 "[ . 1 . 2]" 1
1068 1 83 MET QG 1 85 TYR H . . 3.290 2.131 1.811 2.351 . 0 0 "[ . 1 . 2]" 1
1069 1 83 MET QG 1 85 TYR QD . . 4.990 2.746 2.403 2.993 . 0 0 "[ . 1 . 2]" 1
1070 1 83 MET QG 1 85 TYR QE . . 4.950 3.375 3.029 4.160 . 0 0 "[ . 1 . 2]" 1
1071 1 84 PRO HA 1 85 TYR QB . . 5.340 5.300 5.034 5.396 0.056 5 0 "[ . 1 . 2]" 1
1072 1 84 PRO QB 1 85 TYR H . . 3.770 3.748 3.580 3.800 0.030 16 0 "[ . 1 . 2]" 1
1073 1 84 PRO QB 1 85 TYR QD . . 4.800 3.480 3.205 3.737 . 0 0 "[ . 1 . 2]" 1
1074 1 84 PRO HD2 1 85 TYR H . . 3.270 2.768 2.591 2.877 . 0 0 "[ . 1 . 2]" 1
1075 1 84 PRO HD3 1 85 TYR H . . 3.880 3.888 3.800 3.927 0.047 14 0 "[ . 1 . 2]" 1
1076 1 84 PRO HG2 1 85 TYR H . . 3.560 3.555 3.441 3.610 0.050 16 0 "[ . 1 . 2]" 1
1077 1 84 PRO HG2 1 85 TYR QD . . 3.860 2.438 2.191 2.845 . 0 0 "[ . 1 . 2]" 1
1078 1 84 PRO HG3 1 85 TYR QD . . 4.520 4.178 3.932 4.544 0.024 5 0 "[ . 1 . 2]" 1
1079 1 85 TYR H 1 85 TYR HA . . 2.940 2.939 2.882 2.979 0.039 9 0 "[ . 1 . 2]" 1
1080 1 85 TYR H 1 85 TYR QB . . 3.620 2.782 2.488 3.207 . 0 0 "[ . 1 . 2]" 1
1081 1 85 TYR H 1 85 TYR QD . . 3.970 2.840 2.515 3.121 . 0 0 "[ . 1 . 2]" 1
1082 1 85 TYR HA 1 85 TYR QD . . 3.870 2.985 2.358 3.744 . 0 0 "[ . 1 . 2]" 1
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