NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403028 |
1wig   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wig
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 961
_Distance_constraint_stats_list.Viol_count 551
_Distance_constraint_stats_list.Viol_total 820.893
_Distance_constraint_stats_list.Viol_max 0.880
_Distance_constraint_stats_list.Viol_rms 0.0271
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0745
_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 6 SER 0.048 0.048 6 0 "[ . 1 . 2]"
1 7 GLY 3.121 0.880 13 2 "[ . 1 + - 2]"
1 8 CYS 0.108 0.051 14 0 "[ . 1 . 2]"
1 9 ASP 0.115 0.034 11 0 "[ . 1 . 2]"
1 10 SER 0.082 0.025 20 0 "[ . 1 . 2]"
1 11 CYS 0.004 0.004 12 0 "[ . 1 . 2]"
1 12 GLU 0.557 0.249 14 0 "[ . 1 . 2]"
1 13 LYS 0.037 0.009 11 0 "[ . 1 . 2]"
1 14 TYR 0.717 0.435 13 0 "[ . 1 . 2]"
1 15 ILE 3.498 0.880 13 2 "[ . 1 + - 2]"
1 16 THR 0.027 0.022 16 0 "[ . 1 . 2]"
1 17 GLY 1.178 0.156 15 0 "[ . 1 . 2]"
1 18 ARG 3.670 0.667 13 4 "[ . - + .** 2]"
1 19 VAL 0.974 0.365 4 0 "[ . 1 . 2]"
1 20 LEU 0.133 0.062 18 0 "[ . 1 . 2]"
1 21 GLU 0.204 0.179 14 0 "[ . 1 . 2]"
1 22 ALA 0.005 0.003 11 0 "[ . 1 . 2]"
1 23 GLY 4.237 0.533 13 1 "[ . 1 + . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 4.411 0.533 13 1 "[ . 1 + . 2]"
1 26 HIS 0.111 0.034 11 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 HIS 0.030 0.012 9 0 "[ . 1 . 2]"
1 29 PRO 0.105 0.062 18 0 "[ . 1 . 2]"
1 30 SER 2.914 0.620 1 2 "[+ . - . 2]"
1 31 CYS 0.120 0.025 16 0 "[ . 1 . 2]"
1 32 ALA 0.234 0.037 13 0 "[ . 1 . 2]"
1 33 LEU 0.843 0.477 5 0 "[ . 1 . 2]"
1 34 CYS 0.130 0.019 3 0 "[ . 1 . 2]"
1 35 VAL 0.682 0.077 12 0 "[ . 1 . 2]"
1 36 ARG 1.235 0.075 15 0 "[ . 1 . 2]"
1 37 CYS 0.997 0.075 15 0 "[ . 1 . 2]"
1 38 GLY 0.343 0.033 17 0 "[ . 1 . 2]"
1 39 GLN 0.220 0.026 19 0 "[ . 1 . 2]"
1 40 MET 4.342 0.620 1 2 "[+ . - . 2]"
1 41 PHE 4.814 0.597 18 2 "[ . 1 . +-2]"
1 42 ALA 0.529 0.067 14 0 "[ . 1 . 2]"
1 43 GLU 0.104 0.058 14 0 "[ . 1 . 2]"
1 44 GLY 0.084 0.067 14 0 "[ . 1 . 2]"
1 45 GLU 0.295 0.037 7 0 "[ . 1 . 2]"
1 46 GLU 8.174 0.772 11 9 "[ ** . * *+ **- * 2]"
1 47 MET 10.566 0.772 11 10 "[ ** . * *+ *** *-2]"
1 48 TYR 1.587 0.276 17 0 "[ . 1 . 2]"
1 49 LEU 0.089 0.044 11 0 "[ . 1 . 2]"
1 50 GLN 1.977 0.270 14 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 1.157 0.241 11 0 "[ . 1 . 2]"
1 54 ILE 0.358 0.083 18 0 "[ . 1 . 2]"
1 55 TRP 1.668 0.077 12 0 "[ . 1 . 2]"
1 56 HIS 0.319 0.032 12 0 "[ . 1 . 2]"
1 57 PRO 1.235 0.276 17 0 "[ . 1 . 2]"
1 58 ALA 0.242 0.031 19 0 "[ . 1 . 2]"
1 59 CYS 0.290 0.048 19 0 "[ . 1 . 2]"
1 60 ARG 0.081 0.056 19 0 "[ . 1 . 2]"
1 61 GLN 0.055 0.031 19 0 "[ . 1 . 2]"
1 62 ALA 0.006 0.006 1 0 "[ . 1 . 2]"
1 63 ALA 1.489 0.303 9 0 "[ . 1 . 2]"
1 64 ARG 1.635 0.303 9 0 "[ . 1 . 2]"
1 65 THR 0.163 0.057 14 0 "[ . 1 . 2]"
1 66 GLU 1.674 0.297 9 0 "[ . 1 . 2]"
1 67 ASP 0.636 0.297 9 0 "[ . 1 . 2]"
1 68 SER 0.000 0.000 14 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 6 SER H 1 7 GLY H . . 4.220 3.540 2.204 4.268 0.048 6 0 "[ . 1 . 2]" 1
2 1 6 SER HB2 1 7 GLY H . . 5.340 4.078 1.891 4.667 . 0 0 "[ . 1 . 2]" 1
3 1 6 SER HB3 1 7 GLY H . . 5.500 4.194 2.298 4.666 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY H 1 8 CYS H . . 4.100 3.640 2.927 4.151 0.051 14 0 "[ . 1 . 2]" 1
5 1 7 GLY HA2 1 14 TYR HA . . 4.450 3.614 2.010 4.171 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY HA2 1 14 TYR HD1 . . 5.050 3.905 2.789 4.683 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY HA2 1 15 ILE H . . 4.960 3.670 2.411 4.674 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY HA2 1 15 ILE MD . . 5.250 3.178 2.330 3.950 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA3 1 8 CYS H . . 3.360 2.291 2.136 3.031 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY HA3 1 14 TYR H . . 5.080 4.674 4.348 5.055 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA3 1 14 TYR HA . . 3.820 2.326 1.994 3.081 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLY HA3 1 14 TYR HB2 . . 4.920 4.595 4.234 4.917 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLY HA3 1 14 TYR HB3 . . 5.490 5.258 4.859 5.925 0.435 13 0 "[ . 1 . 2]" 1
14 1 7 GLY HA3 1 14 TYR HD1 . . 4.520 3.168 2.562 3.872 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLY HA3 1 15 ILE H . . 4.400 3.144 2.350 4.571 0.171 15 0 "[ . 1 . 2]" 1
16 1 7 GLY HA3 1 15 ILE MD . . 4.490 3.470 2.285 4.857 0.367 15 0 "[ . 1 . 2]" 1
17 1 7 GLY HA3 1 15 ILE HG12 . . 5.400 4.823 4.105 6.280 0.880 13 2 "[ . 1 + - 2]" 1
18 1 7 GLY HA3 1 15 ILE HG13 . . 5.080 3.231 2.431 4.653 . 0 0 "[ . 1 . 2]" 1
19 1 8 CYS H 1 8 CYS HB2 . . 3.600 2.561 2.187 2.976 . 0 0 "[ . 1 . 2]" 1
20 1 8 CYS H 1 8 CYS HB3 . . 3.480 2.613 2.409 2.974 . 0 0 "[ . 1 . 2]" 1
21 1 8 CYS H 1 9 ASP H . . 5.010 4.478 4.312 4.645 . 0 0 "[ . 1 . 2]" 1
22 1 8 CYS H 1 13 LYS H . . 4.290 3.268 2.854 3.700 . 0 0 "[ . 1 . 2]" 1
23 1 8 CYS H 1 14 TYR HA . . 4.330 3.105 2.753 3.807 . 0 0 "[ . 1 . 2]" 1
24 1 8 CYS H 1 15 ILE H . . 4.430 3.933 3.271 4.402 . 0 0 "[ . 1 . 2]" 1
25 1 8 CYS H 1 15 ILE MD . . 4.490 2.970 2.129 3.474 . 0 0 "[ . 1 . 2]" 1
26 1 8 CYS H 1 15 ILE HG12 . . 4.730 3.760 2.785 4.617 . 0 0 "[ . 1 . 2]" 1
27 1 8 CYS H 1 15 ILE HG13 . . 4.460 2.634 1.986 3.655 . 0 0 "[ . 1 . 2]" 1
28 1 8 CYS H 1 28 HIS HE1 . . 4.890 4.653 4.043 4.902 0.012 9 0 "[ . 1 . 2]" 1
29 1 8 CYS HA 1 9 ASP QB . . 5.140 4.084 3.975 4.494 . 0 0 "[ . 1 . 2]" 1
30 1 8 CYS HA 1 10 SER H . . 4.460 3.867 3.649 4.025 . 0 0 "[ . 1 . 2]" 1
31 1 8 CYS HA 1 11 CYS H . . 5.050 4.867 4.757 5.032 . 0 0 "[ . 1 . 2]" 1
32 1 8 CYS HA 1 15 ILE MD . . 3.510 2.271 1.985 2.689 . 0 0 "[ . 1 . 2]" 1
33 1 8 CYS HA 1 15 ILE HG12 . . 5.250 3.945 3.482 4.539 . 0 0 "[ . 1 . 2]" 1
34 1 8 CYS HA 1 15 ILE HG13 . . 5.020 3.706 3.305 4.189 . 0 0 "[ . 1 . 2]" 1
35 1 8 CYS HA 1 27 TYR HA . . 4.300 2.417 2.123 2.850 . 0 0 "[ . 1 . 2]" 1
36 1 8 CYS HA 1 27 TYR QD . . 4.830 4.097 3.725 4.313 . 0 0 "[ . 1 . 2]" 1
37 1 8 CYS HA 1 28 HIS H . . 4.680 3.943 3.729 4.212 . 0 0 "[ . 1 . 2]" 1
38 1 8 CYS HB2 1 9 ASP H . . 5.320 4.259 4.014 4.432 . 0 0 "[ . 1 . 2]" 1
39 1 8 CYS HB2 1 10 SER H . . 5.500 4.573 4.394 4.864 . 0 0 "[ . 1 . 2]" 1
40 1 8 CYS HB2 1 11 CYS H . . 4.640 4.409 4.258 4.596 . 0 0 "[ . 1 . 2]" 1
41 1 8 CYS HB2 1 13 LYS H . . 4.180 3.601 2.515 4.170 . 0 0 "[ . 1 . 2]" 1
42 1 8 CYS HB2 1 15 ILE MD . . 3.970 2.643 2.062 3.178 . 0 0 "[ . 1 . 2]" 1
43 1 8 CYS HB2 1 15 ILE HG12 . . 4.690 2.590 2.076 3.511 . 0 0 "[ . 1 . 2]" 1
44 1 8 CYS HB2 1 15 ILE HG13 . . 4.530 2.773 2.136 3.257 . 0 0 "[ . 1 . 2]" 1
45 1 8 CYS HB2 1 28 HIS H . . 4.990 3.571 3.055 4.275 . 0 0 "[ . 1 . 2]" 1
46 1 8 CYS HB2 1 28 HIS HE1 . . 4.280 3.298 2.717 3.611 . 0 0 "[ . 1 . 2]" 1
47 1 8 CYS HB3 1 9 ASP H . . 5.500 4.077 3.330 4.404 . 0 0 "[ . 1 . 2]" 1
48 1 8 CYS HB3 1 10 SER H . . 5.020 3.600 3.125 4.359 . 0 0 "[ . 1 . 2]" 1
49 1 8 CYS HB3 1 11 CYS H . . 4.090 3.152 2.793 3.639 . 0 0 "[ . 1 . 2]" 1
50 1 8 CYS HB3 1 12 GLU H . . 4.260 3.587 2.122 4.276 0.016 9 0 "[ . 1 . 2]" 1
51 1 8 CYS HB3 1 13 LYS H . . 4.010 2.132 1.882 2.466 . 0 0 "[ . 1 . 2]" 1
52 1 8 CYS HB3 1 15 ILE MD . . 4.360 3.901 3.405 4.237 . 0 0 "[ . 1 . 2]" 1
53 1 8 CYS HB3 1 15 ILE HG13 . . 4.780 4.048 3.301 4.757 . 0 0 "[ . 1 . 2]" 1
54 1 8 CYS HB3 1 28 HIS HE1 . . 4.270 3.503 2.946 4.140 . 0 0 "[ . 1 . 2]" 1
55 1 9 ASP H 1 9 ASP QB . . 3.880 2.272 2.109 2.525 . 0 0 "[ . 1 . 2]" 1
56 1 9 ASP H 1 15 ILE MD . . 4.780 4.020 3.690 4.374 . 0 0 "[ . 1 . 2]" 1
57 1 9 ASP H 1 26 HIS H . . 4.530 4.076 3.492 4.564 0.034 11 0 "[ . 1 . 2]" 1
58 1 9 ASP H 1 27 TYR HA . . 4.590 2.834 2.533 3.053 . 0 0 "[ . 1 . 2]" 1
59 1 9 ASP H 1 27 TYR QD . . 4.240 2.773 2.215 3.172 . 0 0 "[ . 1 . 2]" 1
60 1 9 ASP H 1 27 TYR QE . . 4.810 3.772 3.176 4.067 . 0 0 "[ . 1 . 2]" 1
61 1 9 ASP HA 1 11 CYS H . . 4.670 4.608 4.508 4.674 0.004 12 0 "[ . 1 . 2]" 1
62 1 9 ASP HA 1 27 TYR QD . . 4.990 4.603 4.263 4.927 . 0 0 "[ . 1 . 2]" 1
63 1 9 ASP QB 1 10 SER H . . 4.870 3.609 3.005 3.914 . 0 0 "[ . 1 . 2]" 1
64 1 9 ASP QB 1 25 LYS HA . . 5.450 4.466 3.953 4.844 . 0 0 "[ . 1 . 2]" 1
65 1 9 ASP QB 1 25 LYS HB3 . . 4.570 3.025 2.570 3.385 . 0 0 "[ . 1 . 2]" 1
66 1 9 ASP QB 1 25 LYS HD2 . . 4.840 3.120 2.400 4.042 . 0 0 "[ . 1 . 2]" 1
67 1 9 ASP QB 1 25 LYS HD3 . . 5.060 3.133 2.355 3.987 . 0 0 "[ . 1 . 2]" 1
68 1 9 ASP QB 1 26 HIS H . . 4.950 3.090 2.647 3.613 . 0 0 "[ . 1 . 2]" 1
69 1 9 ASP QB 1 27 TYR QE . . 3.890 2.051 1.904 2.255 . 0 0 "[ . 1 . 2]" 1
70 1 10 SER H 1 10 SER HB2 . . 3.850 2.944 2.420 3.229 . 0 0 "[ . 1 . 2]" 1
71 1 10 SER H 1 10 SER HB3 . . 3.790 2.782 2.403 2.989 . 0 0 "[ . 1 . 2]" 1
72 1 10 SER H 1 11 CYS H . . 3.470 2.156 1.862 2.814 . 0 0 "[ . 1 . 2]" 1
73 1 10 SER H 1 12 GLU H . . 4.590 2.939 2.412 3.659 . 0 0 "[ . 1 . 2]" 1
74 1 10 SER H 1 27 TYR QD . . 4.020 3.063 1.962 3.757 . 0 0 "[ . 1 . 2]" 1
75 1 10 SER H 1 27 TYR QE . . 4.680 4.198 3.368 4.654 . 0 0 "[ . 1 . 2]" 1
76 1 10 SER H 1 31 CYS HB3 . . 5.500 5.076 4.292 5.510 0.010 5 0 "[ . 1 . 2]" 1
77 1 10 SER HB2 1 11 CYS H . . 3.870 3.734 3.638 3.839 . 0 0 "[ . 1 . 2]" 1
78 1 10 SER HB2 1 27 TYR QD . . 4.040 2.263 1.988 2.680 . 0 0 "[ . 1 . 2]" 1
79 1 10 SER HB2 1 27 TYR QE . . 4.210 3.555 3.113 3.947 . 0 0 "[ . 1 . 2]" 1
80 1 10 SER HB2 1 31 CYS HB2 . . 4.560 4.334 3.870 4.585 0.025 20 0 "[ . 1 . 2]" 1
81 1 10 SER HB2 1 31 CYS HB3 . . 3.690 3.252 2.565 3.494 . 0 0 "[ . 1 . 2]" 1
82 1 10 SER HB3 1 11 CYS H . . 3.500 2.489 2.343 2.679 . 0 0 "[ . 1 . 2]" 1
83 1 10 SER HB3 1 27 TYR QD . . 4.250 3.397 3.134 3.777 . 0 0 "[ . 1 . 2]" 1
84 1 10 SER HB3 1 27 TYR QE . . 5.320 5.058 4.691 5.272 . 0 0 "[ . 1 . 2]" 1
85 1 10 SER HB3 1 31 CYS HB2 . . 4.140 3.642 3.126 3.976 . 0 0 "[ . 1 . 2]" 1
86 1 10 SER HB3 1 31 CYS HB3 . . 3.670 2.575 2.182 2.752 . 0 0 "[ . 1 . 2]" 1
87 1 11 CYS H 1 11 CYS HB2 . . 3.910 3.760 3.712 3.811 . 0 0 "[ . 1 . 2]" 1
88 1 11 CYS H 1 11 CYS HB3 . . 3.860 2.961 2.785 3.077 . 0 0 "[ . 1 . 2]" 1
89 1 11 CYS H 1 12 GLU H . . 3.420 2.287 2.008 2.515 . 0 0 "[ . 1 . 2]" 1
90 1 11 CYS H 1 27 TYR QD . . 4.930 4.666 4.383 4.829 . 0 0 "[ . 1 . 2]" 1
91 1 11 CYS HB2 1 12 GLU H . . 4.710 4.389 4.157 4.494 . 0 0 "[ . 1 . 2]" 1
92 1 11 CYS HB2 1 13 LYS H . . 5.050 4.787 4.279 5.019 . 0 0 "[ . 1 . 2]" 1
93 1 11 CYS HB3 1 12 GLU H . . 4.610 4.413 4.074 4.571 . 0 0 "[ . 1 . 2]" 1
94 1 11 CYS HB3 1 13 LYS H . . 5.500 5.226 4.807 5.423 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLU H 1 12 GLU HB2 . . 4.070 3.393 3.177 3.629 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLU H 1 12 GLU HG2 . . 4.110 3.401 2.387 4.359 0.249 14 0 "[ . 1 . 2]" 1
97 1 12 GLU H 1 12 GLU HG3 . . 4.520 3.093 2.403 4.035 . 0 0 "[ . 1 . 2]" 1
98 1 12 GLU H 1 13 LYS H . . 3.490 2.963 2.630 3.174 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLU HA 1 12 GLU HG2 . . 3.590 2.649 2.193 3.412 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLU HA 1 12 GLU HG3 . . 4.130 3.065 2.241 3.774 . 0 0 "[ . 1 . 2]" 1
101 1 13 LYS H 1 13 LYS HB2 . . 3.420 2.765 2.620 2.819 . 0 0 "[ . 1 . 2]" 1
102 1 13 LYS H 1 13 LYS QD . . 5.500 4.786 4.705 4.855 . 0 0 "[ . 1 . 2]" 1
103 1 13 LYS H 1 13 LYS QE . . 5.500 5.206 4.721 5.285 . 0 0 "[ . 1 . 2]" 1
104 1 13 LYS H 1 13 LYS HG2 . . 3.910 3.412 3.315 3.536 . 0 0 "[ . 1 . 2]" 1
105 1 13 LYS H 1 13 LYS HG3 . . 4.000 3.647 3.351 3.921 . 0 0 "[ . 1 . 2]" 1
106 1 13 LYS H 1 14 TYR H . . 4.490 4.330 4.231 4.419 . 0 0 "[ . 1 . 2]" 1
107 1 13 LYS H 1 28 HIS HE1 . . 4.340 4.023 3.391 4.346 0.006 5 0 "[ . 1 . 2]" 1
108 1 13 LYS HA 1 13 LYS QD . . 4.510 3.229 2.791 3.686 . 0 0 "[ . 1 . 2]" 1
109 1 13 LYS HA 1 14 TYR H . . 3.430 2.214 2.147 2.539 . 0 0 "[ . 1 . 2]" 1
110 1 13 LYS HB2 1 28 HIS HE1 . . 3.390 2.008 1.974 2.089 . 0 0 "[ . 1 . 2]" 1
111 1 13 LYS HB3 1 13 LYS QD . . 3.650 2.073 1.952 2.271 . 0 0 "[ . 1 . 2]" 1
112 1 13 LYS HB3 1 14 TYR H . . 3.560 3.019 2.152 3.345 . 0 0 "[ . 1 . 2]" 1
113 1 13 LYS QD 1 14 TYR H . . 4.570 4.134 3.593 4.454 . 0 0 "[ . 1 . 2]" 1
114 1 13 LYS QD 1 28 HIS HE1 . . 5.500 4.152 3.712 4.595 . 0 0 "[ . 1 . 2]" 1
115 1 13 LYS QE 1 13 LYS HG2 . . 3.880 2.309 1.972 3.303 . 0 0 "[ . 1 . 2]" 1
116 1 13 LYS QE 1 13 LYS HG3 . . 3.810 2.598 2.050 3.045 . 0 0 "[ . 1 . 2]" 1
117 1 13 LYS HG2 1 14 TYR H . . 4.540 4.481 4.235 4.549 0.009 11 0 "[ . 1 . 2]" 1
118 1 13 LYS HG3 1 14 TYR H . . 5.500 5.356 4.859 5.502 0.002 20 0 "[ . 1 . 2]" 1
119 1 13 LYS HG3 1 28 HIS HE1 . . 4.430 3.920 3.718 4.158 . 0 0 "[ . 1 . 2]" 1
120 1 14 TYR H 1 14 TYR HB2 . . 3.540 2.337 2.086 2.534 . 0 0 "[ . 1 . 2]" 1
121 1 14 TYR H 1 14 TYR HB3 . . 3.390 2.784 2.574 3.146 . 0 0 "[ . 1 . 2]" 1
122 1 14 TYR H 1 14 TYR HD1 . . 4.540 4.287 3.607 4.555 0.015 16 0 "[ . 1 . 2]" 1
123 1 14 TYR H 1 28 HIS HE1 . . 5.170 4.773 4.074 5.070 . 0 0 "[ . 1 . 2]" 1
124 1 14 TYR HA 1 14 TYR HD1 . . 3.770 2.406 2.147 2.674 . 0 0 "[ . 1 . 2]" 1
125 1 14 TYR HA 1 14 TYR HE1 . . 4.740 4.534 4.262 4.635 . 0 0 "[ . 1 . 2]" 1
126 1 14 TYR HA 1 15 ILE H . . 3.470 2.279 2.170 2.438 . 0 0 "[ . 1 . 2]" 1
127 1 14 TYR HA 1 15 ILE HB . . 4.970 4.756 4.649 4.858 . 0 0 "[ . 1 . 2]" 1
128 1 14 TYR HA 1 15 ILE HG12 . . 5.500 4.842 4.466 5.554 0.054 10 0 "[ . 1 . 2]" 1
129 1 14 TYR HA 1 15 ILE HG13 . . 5.320 3.392 3.141 4.257 . 0 0 "[ . 1 . 2]" 1
130 1 14 TYR HB2 1 14 TYR HD1 . . 3.600 2.704 2.578 2.901 . 0 0 "[ . 1 . 2]" 1
131 1 14 TYR HB2 1 14 TYR HE1 . . 5.010 4.828 4.757 4.941 . 0 0 "[ . 1 . 2]" 1
132 1 14 TYR HB2 1 15 ILE H . . 4.320 4.087 3.829 4.264 . 0 0 "[ . 1 . 2]" 1
133 1 14 TYR HB3 1 14 TYR HD2 . . 3.530 2.309 2.298 2.333 . 0 0 "[ . 1 . 2]" 1
134 1 14 TYR HB3 1 14 TYR HE2 . . 4.630 4.617 4.612 4.629 . 0 0 "[ . 1 . 2]" 1
135 1 14 TYR HB3 1 15 ILE H . . 4.450 3.656 3.213 4.066 . 0 0 "[ . 1 . 2]" 1
136 1 14 TYR HB3 1 15 ILE HA . . 5.500 4.630 4.329 4.924 . 0 0 "[ . 1 . 2]" 1
137 1 14 TYR HB3 1 16 THR MG . . 4.500 3.691 2.161 4.202 . 0 0 "[ . 1 . 2]" 1
138 1 14 TYR HD1 1 15 ILE H . . 4.450 3.409 2.740 4.064 . 0 0 "[ . 1 . 2]" 1
139 1 14 TYR HD2 1 15 ILE H . . 4.560 3.842 3.252 4.531 . 0 0 "[ . 1 . 2]" 1
140 1 14 TYR HD2 1 16 THR HA . . 4.590 3.816 3.235 4.513 . 0 0 "[ . 1 . 2]" 1
141 1 14 TYR HD2 1 16 THR MG . . 4.070 2.631 1.902 2.926 . 0 0 "[ . 1 . 2]" 1
142 1 14 TYR HE2 1 16 THR HA . . 4.400 3.534 2.938 4.026 . 0 0 "[ . 1 . 2]" 1
143 1 14 TYR HE2 1 16 THR MG . . 4.160 3.575 2.772 4.121 . 0 0 "[ . 1 . 2]" 1
144 1 15 ILE H 1 15 ILE HB . . 3.840 2.699 2.525 2.853 . 0 0 "[ . 1 . 2]" 1
145 1 15 ILE H 1 15 ILE MD . . 4.260 3.540 2.110 4.111 . 0 0 "[ . 1 . 2]" 1
146 1 15 ILE H 1 15 ILE HG12 . . 4.500 3.816 3.614 4.197 . 0 0 "[ . 1 . 2]" 1
147 1 15 ILE H 1 15 ILE HG13 . . 3.990 2.526 2.148 3.283 . 0 0 "[ . 1 . 2]" 1
148 1 15 ILE H 1 15 ILE MG . . 4.290 3.864 3.802 3.934 . 0 0 "[ . 1 . 2]" 1
149 1 15 ILE H 1 16 THR MG . . 4.640 4.556 3.598 4.662 0.022 16 0 "[ . 1 . 2]" 1
150 1 15 ILE H 1 19 VAL QG . . 5.200 4.110 3.908 4.361 . 0 0 "[ . 1 . 2]" 1
151 1 15 ILE HA 1 15 ILE HG12 . . 4.210 2.817 2.567 3.448 . 0 0 "[ . 1 . 2]" 1
152 1 15 ILE HA 1 15 ILE HG13 . . 4.180 2.951 2.318 3.211 . 0 0 "[ . 1 . 2]" 1
153 1 15 ILE HA 1 15 ILE MG . . 3.620 2.255 2.159 2.367 . 0 0 "[ . 1 . 2]" 1
154 1 15 ILE HA 1 16 THR MG . . 4.110 3.839 3.526 4.101 . 0 0 "[ . 1 . 2]" 1
155 1 15 ILE HA 1 28 HIS HD2 . . 4.630 3.350 2.605 4.084 . 0 0 "[ . 1 . 2]" 1
156 1 15 ILE HB 1 15 ILE MD . . 3.390 2.292 2.084 2.491 . 0 0 "[ . 1 . 2]" 1
157 1 15 ILE HB 1 19 VAL HA . . 4.900 4.528 4.059 4.900 . 0 0 "[ . 1 . 2]" 1
158 1 15 ILE HB 1 19 VAL HB . . 4.310 4.027 3.743 4.322 0.012 8 0 "[ . 1 . 2]" 1
159 1 15 ILE HB 1 19 VAL QG . . 3.890 2.041 1.896 2.191 . 0 0 "[ . 1 . 2]" 1
160 1 15 ILE MD 1 15 ILE MG . . 3.190 2.243 1.903 3.089 . 0 0 "[ . 1 . 2]" 1
161 1 15 ILE MD 1 19 VAL HA . . 4.290 3.117 2.542 4.294 0.004 17 0 "[ . 1 . 2]" 1
162 1 15 ILE MD 1 19 VAL HB . . 4.600 2.246 1.959 2.864 . 0 0 "[ . 1 . 2]" 1
163 1 15 ILE MD 1 19 VAL QG . . 2.610 1.934 1.791 2.260 . 0 0 "[ . 1 . 2]" 1
164 1 15 ILE MD 1 26 HIS HB2 . . 4.170 3.070 2.500 3.563 . 0 0 "[ . 1 . 2]" 1
165 1 15 ILE MD 1 26 HIS HB3 . . 4.210 3.156 2.610 4.149 . 0 0 "[ . 1 . 2]" 1
166 1 15 ILE MD 1 27 TYR H . . 4.910 3.404 3.033 4.082 . 0 0 "[ . 1 . 2]" 1
167 1 15 ILE MD 1 27 TYR HA . . 4.260 2.955 2.600 3.618 . 0 0 "[ . 1 . 2]" 1
168 1 15 ILE MD 1 28 HIS H . . 4.490 3.519 2.691 4.495 0.005 10 0 "[ . 1 . 2]" 1
169 1 15 ILE HG12 1 15 ILE MG . . 3.670 2.239 1.972 2.469 . 0 0 "[ . 1 . 2]" 1
170 1 15 ILE HG12 1 19 VAL QG . . 4.630 3.645 2.266 4.034 . 0 0 "[ . 1 . 2]" 1
171 1 15 ILE HG13 1 15 ILE MG . . 3.750 3.139 2.776 3.199 . 0 0 "[ . 1 . 2]" 1
172 1 15 ILE HG13 1 19 VAL HB . . 4.930 4.893 4.597 5.295 0.365 4 0 "[ . 1 . 2]" 1
173 1 15 ILE HG13 1 19 VAL QG . . 4.580 3.616 3.144 3.924 . 0 0 "[ . 1 . 2]" 1
174 1 15 ILE MG 1 16 THR HA . . 4.750 4.316 3.798 4.707 . 0 0 "[ . 1 . 2]" 1
175 1 15 ILE MG 1 17 GLY H . . 5.150 3.300 2.110 4.574 . 0 0 "[ . 1 . 2]" 1
176 1 15 ILE MG 1 19 VAL H . . 4.970 4.173 3.659 4.559 . 0 0 "[ . 1 . 2]" 1
177 1 15 ILE MG 1 19 VAL HA . . 3.570 2.752 2.388 3.081 . 0 0 "[ . 1 . 2]" 1
178 1 15 ILE MG 1 19 VAL HB . . 3.870 3.409 2.880 3.804 . 0 0 "[ . 1 . 2]" 1
179 1 15 ILE MG 1 19 VAL QG . . 3.150 1.923 1.794 2.094 . 0 0 "[ . 1 . 2]" 1
180 1 15 ILE MG 1 20 LEU H . . 4.820 4.297 3.852 4.681 . 0 0 "[ . 1 . 2]" 1
181 1 15 ILE MG 1 28 HIS HA . . 4.360 2.645 1.974 3.452 . 0 0 "[ . 1 . 2]" 1
182 1 15 ILE MG 1 28 HIS HD2 . . 3.920 2.260 1.934 2.938 . 0 0 "[ . 1 . 2]" 1
183 1 15 ILE MG 1 29 PRO HD2 . . 5.170 3.507 3.046 4.207 . 0 0 "[ . 1 . 2]" 1
184 1 15 ILE MG 1 29 PRO HD3 . . 4.140 2.765 2.255 3.336 . 0 0 "[ . 1 . 2]" 1
185 1 16 THR HA 1 16 THR MG . . 3.360 2.387 2.308 2.447 . 0 0 "[ . 1 . 2]" 1
186 1 16 THR HB 1 17 GLY H . . 4.570 3.810 3.345 4.459 . 0 0 "[ . 1 . 2]" 1
187 1 16 THR MG 1 17 GLY H . . 4.680 4.061 3.764 4.330 . 0 0 "[ . 1 . 2]" 1
188 1 17 GLY H 1 18 ARG H . . 4.550 4.292 4.043 4.575 0.025 4 0 "[ . 1 . 2]" 1
189 1 17 GLY HA2 1 18 ARG H . . 3.250 3.039 2.809 3.274 0.024 6 0 "[ . 1 . 2]" 1
190 1 17 GLY HA2 1 18 ARG QB . . 4.950 4.892 4.631 5.106 0.156 15 0 "[ . 1 . 2]" 1
191 1 17 GLY HA3 1 18 ARG H . . 3.170 2.209 2.137 2.344 . 0 0 "[ . 1 . 2]" 1
192 1 17 GLY HA3 1 18 ARG QB . . 5.470 4.390 4.202 4.547 . 0 0 "[ . 1 . 2]" 1
193 1 17 GLY HA3 1 18 ARG QG . . 4.530 4.200 3.901 4.644 0.114 8 0 "[ . 1 . 2]" 1
194 1 18 ARG H 1 18 ARG QB . . 3.470 2.440 2.184 2.737 . 0 0 "[ . 1 . 2]" 1
195 1 18 ARG H 1 18 ARG QG . . 3.470 2.429 1.977 3.187 . 0 0 "[ . 1 . 2]" 1
196 1 18 ARG HA 1 18 ARG HD2 . . 4.750 4.441 1.981 5.417 0.667 13 4 "[ . - + .** 2]" 1
197 1 18 ARG HA 1 18 ARG QG . . 4.000 2.803 2.399 3.343 . 0 0 "[ . 1 . 2]" 1
198 1 18 ARG HA 1 19 VAL H . . 3.050 2.273 2.182 2.387 . 0 0 "[ . 1 . 2]" 1
199 1 18 ARG HA 1 19 VAL QG . . 3.950 3.146 2.992 3.237 . 0 0 "[ . 1 . 2]" 1
200 1 18 ARG QB 1 18 ARG HD2 . . 3.800 2.442 1.956 3.314 . 0 0 "[ . 1 . 2]" 1
201 1 18 ARG QB 1 19 VAL H . . 3.940 2.758 2.494 3.018 . 0 0 "[ . 1 . 2]" 1
202 1 18 ARG QB 1 19 VAL HA . . 5.030 4.255 3.991 4.618 . 0 0 "[ . 1 . 2]" 1
203 1 18 ARG QB 1 19 VAL QG . . 5.360 3.927 3.804 4.066 . 0 0 "[ . 1 . 2]" 1
204 1 18 ARG QG 1 19 VAL H . . 4.480 3.889 3.611 4.083 . 0 0 "[ . 1 . 2]" 1
205 1 19 VAL H 1 19 VAL HB . . 4.100 3.831 3.711 3.926 . 0 0 "[ . 1 . 2]" 1
206 1 19 VAL H 1 19 VAL QG . . 3.560 2.183 1.995 2.315 . 0 0 "[ . 1 . 2]" 1
207 1 19 VAL H 1 20 LEU H . . 4.690 4.446 4.397 4.551 . 0 0 "[ . 1 . 2]" 1
208 1 19 VAL HA 1 20 LEU H . . 3.310 2.234 2.183 2.300 . 0 0 "[ . 1 . 2]" 1
209 1 19 VAL HA 1 20 LEU HB2 . . 4.960 4.421 4.387 4.488 . 0 0 "[ . 1 . 2]" 1
210 1 19 VAL HB 1 20 LEU H . . 4.740 2.922 2.666 3.124 . 0 0 "[ . 1 . 2]" 1
211 1 19 VAL HB 1 27 TYR H . . 4.970 3.125 2.599 3.382 . 0 0 "[ . 1 . 2]" 1
212 1 19 VAL QG 1 20 LEU H . . 3.840 3.236 3.064 3.344 . 0 0 "[ . 1 . 2]" 1
213 1 19 VAL QG 1 20 LEU HA . . 4.740 3.845 3.644 3.963 . 0 0 "[ . 1 . 2]" 1
214 1 19 VAL QG 1 20 LEU HB2 . . 5.500 4.669 4.515 4.817 . 0 0 "[ . 1 . 2]" 1
215 1 19 VAL QG 1 21 GLU QB . . 3.340 3.086 2.649 3.253 . 0 0 "[ . 1 . 2]" 1
216 1 19 VAL QG 1 21 GLU HG2 . . 4.830 4.272 3.343 4.708 . 0 0 "[ . 1 . 2]" 1
217 1 19 VAL QG 1 21 GLU HG3 . . 4.850 4.134 2.871 4.800 . 0 0 "[ . 1 . 2]" 1
218 1 19 VAL QG 1 26 HIS HA . . 4.910 3.316 2.854 3.580 . 0 0 "[ . 1 . 2]" 1
219 1 19 VAL QG 1 26 HIS HB2 . . 3.900 3.262 2.269 3.626 . 0 0 "[ . 1 . 2]" 1
220 1 19 VAL QG 1 26 HIS HB3 . . 3.960 2.291 1.938 2.643 . 0 0 "[ . 1 . 2]" 1
221 1 19 VAL QG 1 26 HIS HD2 . . 3.990 2.873 2.042 3.812 . 0 0 "[ . 1 . 2]" 1
222 1 19 VAL QG 1 27 TYR H . . 4.180 3.531 3.219 3.797 . 0 0 "[ . 1 . 2]" 1
223 1 20 LEU H 1 20 LEU HB2 . . 3.850 2.252 2.240 2.285 . 0 0 "[ . 1 . 2]" 1
224 1 20 LEU H 1 20 LEU HB3 . . 4.080 3.539 3.531 3.559 . 0 0 "[ . 1 . 2]" 1
225 1 20 LEU H 1 20 LEU QD . . 4.470 3.313 3.168 3.405 . 0 0 "[ . 1 . 2]" 1
226 1 20 LEU H 1 20 LEU HG . . 4.420 2.953 2.859 3.154 . 0 0 "[ . 1 . 2]" 1
227 1 20 LEU H 1 27 TYR H . . 4.160 2.699 2.311 2.898 . 0 0 "[ . 1 . 2]" 1
228 1 20 LEU H 1 27 TYR HB2 . . 5.210 4.084 3.733 4.547 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU H 1 29 PRO HD3 . . 5.200 4.796 4.455 5.056 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU HA 1 20 LEU QD . . 3.970 2.277 1.964 2.492 . 0 0 "[ . 1 . 2]" 1
231 1 20 LEU HA 1 21 GLU H . . 3.480 2.195 2.145 2.237 . 0 0 "[ . 1 . 2]" 1
232 1 20 LEU HB2 1 21 GLU H . . 4.890 4.527 4.464 4.552 . 0 0 "[ . 1 . 2]" 1
233 1 20 LEU HB2 1 27 TYR H . . 5.040 3.058 2.831 3.394 . 0 0 "[ . 1 . 2]" 1
234 1 20 LEU HB2 1 27 TYR HB2 . . 4.270 2.745 2.394 3.171 . 0 0 "[ . 1 . 2]" 1
235 1 20 LEU HB2 1 27 TYR HB3 . . 4.810 4.362 3.952 4.786 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU HB2 1 27 TYR QD . . 4.760 3.465 3.192 3.724 . 0 0 "[ . 1 . 2]" 1
237 1 20 LEU HB2 1 29 PRO HA . . 5.280 4.419 4.111 4.549 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU HB2 1 32 ALA MB . . 4.390 2.939 2.752 3.237 . 0 0 "[ . 1 . 2]" 1
239 1 20 LEU HB3 1 21 GLU H . . 4.940 3.857 3.624 3.977 . 0 0 "[ . 1 . 2]" 1
240 1 20 LEU HB3 1 27 TYR HB2 . . 4.530 3.849 3.444 4.327 . 0 0 "[ . 1 . 2]" 1
241 1 20 LEU HB3 1 27 TYR QD . . 4.460 3.599 3.303 3.909 . 0 0 "[ . 1 . 2]" 1
242 1 20 LEU HB3 1 29 PRO HA . . 5.500 5.424 5.155 5.562 0.062 18 0 "[ . 1 . 2]" 1
243 1 20 LEU HB3 1 32 ALA MB . . 3.370 3.277 3.087 3.407 0.037 13 0 "[ . 1 . 2]" 1
244 1 20 LEU QD 1 21 GLU H . . 4.330 3.713 3.456 3.993 . 0 0 "[ . 1 . 2]" 1
245 1 20 LEU QD 1 27 TYR HB2 . . 4.080 3.173 2.936 3.468 . 0 0 "[ . 1 . 2]" 1
246 1 20 LEU QD 1 27 TYR QD . . 4.580 4.029 3.828 4.233 . 0 0 "[ . 1 . 2]" 1
247 1 20 LEU QD 1 29 PRO HA . . 4.060 2.009 1.921 2.417 . 0 0 "[ . 1 . 2]" 1
248 1 20 LEU QD 1 29 PRO HB3 . . 4.680 3.815 3.616 3.980 . 0 0 "[ . 1 . 2]" 1
249 1 20 LEU QD 1 41 PHE H . . 4.720 2.945 2.560 3.297 . 0 0 "[ . 1 . 2]" 1
250 1 20 LEU QD 1 41 PHE HB2 . . 4.520 1.981 1.801 2.263 . 0 0 "[ . 1 . 2]" 1
251 1 20 LEU QD 1 41 PHE HB3 . . 4.380 3.292 3.069 3.497 . 0 0 "[ . 1 . 2]" 1
252 1 20 LEU QD 1 41 PHE QD . . 4.290 2.326 2.122 2.522 . 0 0 "[ . 1 . 2]" 1
253 1 20 LEU QD 1 45 GLU HB2 . . 4.680 4.081 3.750 4.393 . 0 0 "[ . 1 . 2]" 1
254 1 20 LEU QD 1 47 MET ME . . 3.410 2.622 2.065 3.101 . 0 0 "[ . 1 . 2]" 1
255 1 20 LEU QD 1 54 ILE MD . . 3.770 3.023 2.694 3.343 . 0 0 "[ . 1 . 2]" 1
256 1 20 LEU QD 1 54 ILE MG . . 4.160 3.828 3.707 3.978 . 0 0 "[ . 1 . 2]" 1
257 1 20 LEU HG 1 21 GLU H . . 5.050 4.857 4.749 5.008 . 0 0 "[ . 1 . 2]" 1
258 1 20 LEU HG 1 29 PRO HA . . 4.620 3.008 2.668 3.301 . 0 0 "[ . 1 . 2]" 1
259 1 20 LEU HG 1 29 PRO HB3 . . 4.630 4.247 3.992 4.430 . 0 0 "[ . 1 . 2]" 1
260 1 20 LEU HG 1 41 PHE QD . . 4.960 4.827 4.639 4.958 . 0 0 "[ . 1 . 2]" 1
261 1 21 GLU H 1 21 GLU QB . . 3.820 2.489 2.089 2.877 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLU H 1 21 GLU HG2 . . 4.990 3.367 1.897 4.623 . 0 0 "[ . 1 . 2]" 1
263 1 21 GLU H 1 21 GLU HG3 . . 3.970 2.962 1.950 4.149 0.179 14 0 "[ . 1 . 2]" 1
264 1 21 GLU H 1 47 MET ME . . 5.500 5.272 4.604 5.504 0.004 2 0 "[ . 1 . 2]" 1
265 1 21 GLU HA 1 22 ALA MB . . 4.890 4.033 3.897 4.127 . 0 0 "[ . 1 . 2]" 1
266 1 21 GLU QB 1 22 ALA H . . 4.450 3.558 3.257 3.857 . 0 0 "[ . 1 . 2]" 1
267 1 21 GLU QB 1 22 ALA MB . . 5.320 4.818 4.693 4.961 . 0 0 "[ . 1 . 2]" 1
268 1 22 ALA H 1 23 GLY H . . 5.110 3.947 3.805 4.137 . 0 0 "[ . 1 . 2]" 1
269 1 22 ALA H 1 25 LYS H . . 4.200 3.067 2.717 3.463 . 0 0 "[ . 1 . 2]" 1
270 1 22 ALA H 1 25 LYS HB2 . . 4.560 3.894 3.444 4.268 . 0 0 "[ . 1 . 2]" 1
271 1 22 ALA H 1 25 LYS HB3 . . 5.050 4.961 4.646 5.053 0.003 11 0 "[ . 1 . 2]" 1
272 1 22 ALA H 1 27 TYR QD . . 5.500 4.027 3.470 4.442 . 0 0 "[ . 1 . 2]" 1
273 1 22 ALA HA 1 23 GLY HA2 . . 4.950 4.387 4.373 4.404 . 0 0 "[ . 1 . 2]" 1
274 1 22 ALA HA 1 49 LEU QD . . 3.750 2.805 2.161 3.149 . 0 0 "[ . 1 . 2]" 1
275 1 22 ALA MB 1 23 GLY H . . 4.840 3.526 3.337 3.564 . 0 0 "[ . 1 . 2]" 1
276 1 22 ALA MB 1 25 LYS HB2 . . 4.090 3.806 3.223 4.045 . 0 0 "[ . 1 . 2]" 1
277 1 22 ALA MB 1 27 TYR QD . . 4.060 3.295 2.794 3.775 . 0 0 "[ . 1 . 2]" 1
278 1 22 ALA MB 1 27 TYR QE . . 3.630 2.554 1.939 3.274 . 0 0 "[ . 1 . 2]" 1
279 1 22 ALA MB 1 49 LEU QD . . 3.850 1.786 1.659 2.078 . 0 0 "[ . 1 . 2]" 1
280 1 22 ALA MB 1 54 ILE MD . . 3.800 3.051 2.580 3.560 . 0 0 "[ . 1 . 2]" 1
281 1 22 ALA MB 1 54 ILE HG13 . . 4.230 3.418 2.913 4.203 . 0 0 "[ . 1 . 2]" 1
282 1 22 ALA MB 1 54 ILE MG . . 4.640 3.692 3.348 4.222 . 0 0 "[ . 1 . 2]" 1
283 1 23 GLY H 1 24 GLU HA . . 5.310 5.056 4.888 5.233 . 0 0 "[ . 1 . 2]" 1
284 1 23 GLY HA2 1 24 GLU QG . . 5.170 4.409 3.758 5.168 . 0 0 "[ . 1 . 2]" 1
285 1 23 GLY HA2 1 25 LYS H . . 4.790 5.002 4.829 5.323 0.533 13 1 "[ . 1 + . 2]" 1
286 1 24 GLU H 1 24 GLU QG . . 4.640 3.471 2.279 4.082 . 0 0 "[ . 1 . 2]" 1
287 1 24 GLU H 1 25 LYS H . . 4.080 2.000 1.798 2.319 . 0 0 "[ . 1 . 2]" 1
288 1 24 GLU H 1 25 LYS HB2 . . 5.500 3.657 3.517 3.881 . 0 0 "[ . 1 . 2]" 1
289 1 24 GLU H 1 25 LYS HG2 . . 5.340 3.935 3.188 4.572 . 0 0 "[ . 1 . 2]" 1
290 1 24 GLU HA 1 24 GLU QG . . 3.890 2.543 2.060 3.372 . 0 0 "[ . 1 . 2]" 1
291 1 24 GLU HB2 1 25 LYS H . . 5.070 4.212 3.864 4.484 . 0 0 "[ . 1 . 2]" 1
292 1 24 GLU QG 1 25 LYS H . . 5.500 4.410 3.427 4.918 . 0 0 "[ . 1 . 2]" 1
293 1 25 LYS H 1 25 LYS HB2 . . 3.800 2.702 2.558 2.855 . 0 0 "[ . 1 . 2]" 1
294 1 25 LYS H 1 25 LYS HB3 . . 4.040 3.808 3.723 3.893 . 0 0 "[ . 1 . 2]" 1
295 1 25 LYS H 1 25 LYS HG2 . . 4.070 3.483 3.091 3.971 . 0 0 "[ . 1 . 2]" 1
296 1 25 LYS H 1 25 LYS HG3 . . 4.150 3.782 3.466 4.023 . 0 0 "[ . 1 . 2]" 1
297 1 25 LYS HA 1 25 LYS HD2 . . 4.670 4.087 3.482 4.632 . 0 0 "[ . 1 . 2]" 1
298 1 25 LYS HA 1 25 LYS HD3 . . 4.820 3.334 2.594 4.110 . 0 0 "[ . 1 . 2]" 1
299 1 25 LYS HA 1 25 LYS HG2 . . 4.210 2.437 2.246 2.706 . 0 0 "[ . 1 . 2]" 1
300 1 25 LYS HA 1 26 HIS H . . 3.510 2.482 2.286 2.589 . 0 0 "[ . 1 . 2]" 1
301 1 25 LYS HA 1 27 TYR QE . . 5.500 5.031 4.752 5.248 . 0 0 "[ . 1 . 2]" 1
302 1 25 LYS HB2 1 25 LYS HE2 . . 5.160 4.618 3.755 5.330 0.170 17 0 "[ . 1 . 2]" 1
303 1 25 LYS HB2 1 25 LYS HE3 . . 5.490 4.518 3.467 5.321 . 0 0 "[ . 1 . 2]" 1
304 1 25 LYS HB2 1 26 HIS H . . 4.760 3.522 3.281 3.926 . 0 0 "[ . 1 . 2]" 1
305 1 25 LYS HB2 1 27 TYR QE . . 3.570 2.701 2.346 3.002 . 0 0 "[ . 1 . 2]" 1
306 1 25 LYS HB3 1 26 HIS H . . 4.060 2.277 2.038 2.734 . 0 0 "[ . 1 . 2]" 1
307 1 25 LYS HB3 1 27 TYR QE . . 4.280 3.208 2.871 3.547 . 0 0 "[ . 1 . 2]" 1
308 1 25 LYS HE2 1 25 LYS HG2 . . 4.070 2.899 1.984 3.774 . 0 0 "[ . 1 . 2]" 1
309 1 25 LYS HG2 1 26 HIS H . . 5.500 4.269 3.992 4.560 . 0 0 "[ . 1 . 2]" 1
310 1 25 LYS HG3 1 27 TYR QE . . 5.230 4.261 3.532 4.743 . 0 0 "[ . 1 . 2]" 1
311 1 26 HIS HB2 1 27 TYR H . . 5.080 3.635 2.717 4.027 . 0 0 "[ . 1 . 2]" 1
312 1 26 HIS HB3 1 27 TYR H . . 4.810 3.115 2.644 3.819 . 0 0 "[ . 1 . 2]" 1
313 1 27 TYR H 1 27 TYR QD . . 4.220 3.216 2.922 3.514 . 0 0 "[ . 1 . 2]" 1
314 1 27 TYR H 1 32 ALA MB . . 5.150 4.384 4.137 4.625 . 0 0 "[ . 1 . 2]" 1
315 1 27 TYR HA 1 27 TYR QD . . 4.060 2.816 2.513 3.073 . 0 0 "[ . 1 . 2]" 1
316 1 27 TYR HA 1 28 HIS H . . 3.510 2.408 2.291 2.530 . 0 0 "[ . 1 . 2]" 1
317 1 27 TYR HB2 1 28 HIS H . . 4.190 3.427 3.082 3.726 . 0 0 "[ . 1 . 2]" 1
318 1 27 TYR HB2 1 32 ALA MB . . 3.850 2.015 1.837 2.146 . 0 0 "[ . 1 . 2]" 1
319 1 27 TYR HB3 1 27 TYR QE . . 5.020 4.437 4.413 4.468 . 0 0 "[ . 1 . 2]" 1
320 1 27 TYR HB3 1 28 HIS H . . 3.700 2.497 2.276 2.737 . 0 0 "[ . 1 . 2]" 1
321 1 27 TYR HB3 1 32 ALA H . . 4.380 3.437 3.144 3.986 . 0 0 "[ . 1 . 2]" 1
322 1 27 TYR HB3 1 32 ALA MB . . 3.870 2.646 2.288 3.078 . 0 0 "[ . 1 . 2]" 1
323 1 27 TYR QD 1 28 HIS H . . 4.710 4.040 3.799 4.162 . 0 0 "[ . 1 . 2]" 1
324 1 27 TYR QD 1 32 ALA HA . . 5.500 4.873 4.620 5.099 . 0 0 "[ . 1 . 2]" 1
325 1 27 TYR QD 1 32 ALA MB . . 3.860 2.872 2.603 3.154 . 0 0 "[ . 1 . 2]" 1
326 1 27 TYR QD 1 54 ILE MD . . 4.260 3.241 2.937 3.589 . 0 0 "[ . 1 . 2]" 1
327 1 27 TYR QE 1 32 ALA MB . . 4.880 4.204 3.971 4.520 . 0 0 "[ . 1 . 2]" 1
328 1 27 TYR QE 1 49 LEU QD . . 4.660 4.222 3.787 4.527 . 0 0 "[ . 1 . 2]" 1
329 1 27 TYR QE 1 54 ILE MD . . 4.330 3.860 3.300 4.267 . 0 0 "[ . 1 . 2]" 1
330 1 27 TYR QE 1 54 ILE HG13 . . 5.300 4.701 4.293 5.156 . 0 0 "[ . 1 . 2]" 1
331 1 28 HIS H 1 28 HIS HB2 . . 4.060 2.182 2.155 2.229 . 0 0 "[ . 1 . 2]" 1
332 1 28 HIS H 1 28 HIS HB3 . . 4.110 3.491 3.468 3.522 . 0 0 "[ . 1 . 2]" 1
333 1 28 HIS H 1 31 CYS H . . 4.640 3.899 3.768 4.067 . 0 0 "[ . 1 . 2]" 1
334 1 28 HIS H 1 31 CYS HB2 . . 4.600 2.296 2.168 2.424 . 0 0 "[ . 1 . 2]" 1
335 1 28 HIS H 1 31 CYS HB3 . . 4.750 3.612 3.470 3.723 . 0 0 "[ . 1 . 2]" 1
336 1 28 HIS HA 1 29 PRO HD2 . . 4.090 2.526 2.484 2.560 . 0 0 "[ . 1 . 2]" 1
337 1 28 HIS HB2 1 29 PRO HD2 . . 4.520 3.577 3.526 3.651 . 0 0 "[ . 1 . 2]" 1
338 1 28 HIS HB2 1 29 PRO HD3 . . 4.810 4.669 4.634 4.717 . 0 0 "[ . 1 . 2]" 1
339 1 28 HIS HB2 1 30 SER H . . 4.530 3.282 3.190 3.400 . 0 0 "[ . 1 . 2]" 1
340 1 28 HIS HB2 1 31 CYS H . . 3.820 2.516 2.461 2.562 . 0 0 "[ . 1 . 2]" 1
341 1 28 HIS HB2 1 31 CYS HB2 . . 4.220 2.026 1.985 2.188 . 0 0 "[ . 1 . 2]" 1
342 1 28 HIS HB2 1 31 CYS HB3 . . 4.280 3.523 3.484 3.648 . 0 0 "[ . 1 . 2]" 1
343 1 28 HIS HB2 1 32 ALA H . . 4.990 4.036 3.871 4.187 . 0 0 "[ . 1 . 2]" 1
344 1 28 HIS HB3 1 29 PRO HD2 . . 4.480 2.002 1.937 2.113 . 0 0 "[ . 1 . 2]" 1
345 1 28 HIS HB3 1 29 PRO HD3 . . 4.710 3.447 3.391 3.541 . 0 0 "[ . 1 . 2]" 1
346 1 28 HIS HB3 1 30 SER H . . 4.270 2.267 2.196 2.370 . 0 0 "[ . 1 . 2]" 1
347 1 28 HIS HB3 1 31 CYS H . . 4.000 2.518 2.436 2.649 . 0 0 "[ . 1 . 2]" 1
348 1 28 HIS HB3 1 31 CYS HB2 . . 4.330 3.404 3.323 3.612 . 0 0 "[ . 1 . 2]" 1
349 1 29 PRO HA 1 31 CYS H . . 4.870 4.802 4.712 4.895 0.025 16 0 "[ . 1 . 2]" 1
350 1 29 PRO HA 1 32 ALA H . . 4.880 4.719 4.561 4.885 0.005 8 0 "[ . 1 . 2]" 1
351 1 29 PRO HB2 1 30 SER H . . 4.340 3.933 3.752 4.035 . 0 0 "[ . 1 . 2]" 1
352 1 29 PRO HD2 1 30 SER H . . 4.240 2.995 2.802 3.132 . 0 0 "[ . 1 . 2]" 1
353 1 29 PRO HD2 1 31 CYS H . . 5.310 4.155 4.082 4.249 . 0 0 "[ . 1 . 2]" 1
354 1 29 PRO HD3 1 30 SER H . . 4.590 4.026 3.924 4.097 . 0 0 "[ . 1 . 2]" 1
355 1 30 SER H 1 30 SER HB3 . . 4.070 3.224 2.768 3.783 . 0 0 "[ . 1 . 2]" 1
356 1 30 SER H 1 31 CYS H . . 3.440 1.829 1.756 1.965 . 0 0 "[ . 1 . 2]" 1
357 1 30 SER H 1 32 ALA H . . 5.300 3.528 3.359 3.841 . 0 0 "[ . 1 . 2]" 1
358 1 30 SER HA 1 32 ALA H . . 4.990 4.389 4.116 4.796 . 0 0 "[ . 1 . 2]" 1
359 1 30 SER HA 1 32 ALA MB . . 5.500 5.393 5.251 5.502 0.002 3 0 "[ . 1 . 2]" 1
360 1 30 SER HA 1 33 LEU MD2 . . 4.970 2.295 1.951 2.550 . 0 0 "[ . 1 . 2]" 1
361 1 30 SER HA 1 40 MET ME . . 3.790 2.991 1.990 3.802 0.012 5 0 "[ . 1 . 2]" 1
362 1 30 SER HA 1 40 MET HG2 . . 4.310 2.981 2.324 3.485 . 0 0 "[ . 1 . 2]" 1
363 1 30 SER HB2 1 31 CYS H . . 5.480 3.584 2.790 4.009 . 0 0 "[ . 1 . 2]" 1
364 1 30 SER HB2 1 40 MET ME . . 4.800 3.957 3.077 4.803 0.003 2 0 "[ . 1 . 2]" 1
365 1 30 SER HB3 1 31 CYS H . . 4.650 3.539 2.760 4.098 . 0 0 "[ . 1 . 2]" 1
366 1 30 SER HB3 1 40 MET ME . . 4.190 3.984 2.193 4.810 0.620 1 2 "[+ . - . 2]" 1
367 1 31 CYS H 1 31 CYS HB2 . . 3.770 2.342 2.306 2.395 . 0 0 "[ . 1 . 2]" 1
368 1 31 CYS H 1 31 CYS HB3 . . 3.800 3.565 3.554 3.583 . 0 0 "[ . 1 . 2]" 1
369 1 31 CYS H 1 32 ALA H . . 3.380 2.745 2.615 2.875 . 0 0 "[ . 1 . 2]" 1
370 1 31 CYS H 1 32 ALA MB . . 4.710 4.448 4.298 4.610 . 0 0 "[ . 1 . 2]" 1
371 1 31 CYS HA 1 33 LEU HG . . 4.960 3.989 3.572 4.243 . 0 0 "[ . 1 . 2]" 1
372 1 32 ALA H 1 32 ALA MB . . 3.220 2.161 2.039 2.306 . 0 0 "[ . 1 . 2]" 1
373 1 32 ALA H 1 33 LEU H . . 4.680 4.273 4.184 4.424 . 0 0 "[ . 1 . 2]" 1
374 1 32 ALA H 1 33 LEU MD2 . . 4.810 3.861 3.560 4.133 . 0 0 "[ . 1 . 2]" 1
375 1 32 ALA H 1 33 LEU HG . . 4.490 4.144 3.901 4.304 . 0 0 "[ . 1 . 2]" 1
376 1 32 ALA H 1 54 ILE MD . . 5.060 4.609 4.327 4.807 . 0 0 "[ . 1 . 2]" 1
377 1 32 ALA HA 1 33 LEU H . . 3.320 2.174 2.142 2.235 . 0 0 "[ . 1 . 2]" 1
378 1 32 ALA HA 1 33 LEU HG . . 4.120 3.925 3.703 4.106 . 0 0 "[ . 1 . 2]" 1
379 1 32 ALA HA 1 54 ILE MD . . 4.000 3.111 2.628 3.527 . 0 0 "[ . 1 . 2]" 1
380 1 32 ALA MB 1 33 LEU H . . 3.980 3.437 3.250 3.564 . 0 0 "[ . 1 . 2]" 1
381 1 32 ALA MB 1 33 LEU MD2 . . 4.240 4.037 3.877 4.210 . 0 0 "[ . 1 . 2]" 1
382 1 32 ALA MB 1 41 PHE HB2 . . 5.500 5.498 5.408 5.520 0.020 17 0 "[ . 1 . 2]" 1
383 1 32 ALA MB 1 41 PHE HE1 . . 4.560 3.699 3.571 3.907 . 0 0 "[ . 1 . 2]" 1
384 1 32 ALA MB 1 47 MET ME . . 4.920 4.785 4.556 4.934 0.014 3 0 "[ . 1 . 2]" 1
385 1 32 ALA MB 1 54 ILE MD . . 3.230 1.836 1.729 1.997 . 0 0 "[ . 1 . 2]" 1
386 1 32 ALA MB 1 54 ILE HG13 . . 4.790 3.934 3.667 4.357 . 0 0 "[ . 1 . 2]" 1
387 1 32 ALA MB 1 54 ILE MG . . 4.150 4.002 3.763 4.164 0.014 4 0 "[ . 1 . 2]" 1
388 1 33 LEU H 1 33 LEU HB2 . . 3.810 2.779 2.674 2.912 . 0 0 "[ . 1 . 2]" 1
389 1 33 LEU H 1 33 LEU MD1 . . 4.570 4.016 3.906 4.163 . 0 0 "[ . 1 . 2]" 1
390 1 33 LEU H 1 33 LEU MD2 . . 4.280 3.620 3.472 3.970 . 0 0 "[ . 1 . 2]" 1
391 1 33 LEU H 1 33 LEU HG . . 3.910 2.788 2.669 2.993 . 0 0 "[ . 1 . 2]" 1
392 1 33 LEU H 1 54 ILE MD . . 4.610 3.556 2.906 4.082 . 0 0 "[ . 1 . 2]" 1
393 1 33 LEU HA 1 33 LEU MD2 . . 3.100 2.255 1.972 2.515 . 0 0 "[ . 1 . 2]" 1
394 1 33 LEU HA 1 34 CYS H . . 3.180 2.192 2.147 2.277 . 0 0 "[ . 1 . 2]" 1
395 1 33 LEU HA 1 39 GLN H . . 5.500 4.828 4.665 5.040 . 0 0 "[ . 1 . 2]" 1
396 1 33 LEU HA 1 41 PHE HE1 . . 4.490 2.104 1.986 2.483 . 0 0 "[ . 1 . 2]" 1
397 1 33 LEU HB2 1 34 CYS H . . 4.200 3.938 3.703 4.149 . 0 0 "[ . 1 . 2]" 1
398 1 33 LEU HB2 1 38 GLY H . . 5.500 5.478 5.370 5.515 0.015 2 0 "[ . 1 . 2]" 1
399 1 33 LEU HB2 1 38 GLY HA2 . . 4.270 3.145 3.018 3.225 . 0 0 "[ . 1 . 2]" 1
400 1 33 LEU HB2 1 38 GLY HA3 . . 4.980 3.869 3.676 4.167 . 0 0 "[ . 1 . 2]" 1
401 1 33 LEU HB3 1 34 CYS H . . 4.140 3.084 2.772 3.312 . 0 0 "[ . 1 . 2]" 1
402 1 33 LEU HB3 1 38 GLY H . . 4.680 4.631 4.457 4.710 0.030 14 0 "[ . 1 . 2]" 1
403 1 33 LEU HB3 1 38 GLY HA2 . . 4.340 2.400 2.148 2.509 . 0 0 "[ . 1 . 2]" 1
404 1 33 LEU HB3 1 38 GLY HA3 . . 4.400 3.192 2.868 3.496 . 0 0 "[ . 1 . 2]" 1
405 1 33 LEU HB3 1 40 MET HG3 . . 5.500 4.638 4.324 5.086 . 0 0 "[ . 1 . 2]" 1
406 1 33 LEU MD1 1 34 CYS H . . 5.080 4.979 4.751 5.096 0.016 18 0 "[ . 1 . 2]" 1
407 1 33 LEU MD1 1 38 GLY HA2 . . 3.960 3.941 3.860 3.993 0.033 17 0 "[ . 1 . 2]" 1
408 1 33 LEU MD1 1 38 GLY HA3 . . 4.100 3.779 3.601 4.029 . 0 0 "[ . 1 . 2]" 1
409 1 33 LEU MD1 1 40 MET ME . . 4.590 2.702 1.914 4.577 . 0 0 "[ . 1 . 2]" 1
410 1 33 LEU MD1 1 40 MET HG3 . . 5.290 3.893 3.604 4.328 . 0 0 "[ . 1 . 2]" 1
411 1 33 LEU MD2 1 34 CYS H . . 4.080 3.789 3.602 3.910 . 0 0 "[ . 1 . 2]" 1
412 1 33 LEU MD2 1 38 GLY HA2 . . 4.400 4.194 3.940 4.315 . 0 0 "[ . 1 . 2]" 1
413 1 33 LEU MD2 1 38 GLY HA3 . . 4.900 4.735 4.353 4.912 0.012 13 0 "[ . 1 . 2]" 1
414 1 33 LEU MD2 1 40 MET H . . 3.980 3.245 3.024 3.424 . 0 0 "[ . 1 . 2]" 1
415 1 33 LEU MD2 1 40 MET HA . . 3.150 2.588 2.443 2.807 . 0 0 "[ . 1 . 2]" 1
416 1 33 LEU MD2 1 40 MET HB2 . . 4.470 4.158 3.991 4.328 . 0 0 "[ . 1 . 2]" 1
417 1 33 LEU MD2 1 40 MET HB3 . . 4.730 3.987 3.794 4.345 . 0 0 "[ . 1 . 2]" 1
418 1 33 LEU MD2 1 40 MET ME . . 3.700 2.153 1.738 3.708 0.008 7 0 "[ . 1 . 2]" 1
419 1 33 LEU MD2 1 40 MET HG2 . . 3.470 3.133 2.033 3.477 0.007 4 0 "[ . 1 . 2]" 1
420 1 33 LEU MD2 1 40 MET HG3 . . 3.530 2.022 1.838 2.446 . 0 0 "[ . 1 . 2]" 1
421 1 33 LEU MD2 1 41 PHE H . . 4.700 4.294 3.910 4.530 . 0 0 "[ . 1 . 2]" 1
422 1 33 LEU MD2 1 41 PHE QD . . 5.210 3.952 3.700 4.144 . 0 0 "[ . 1 . 2]" 1
423 1 33 LEU HG 1 40 MET HG3 . . 4.800 4.661 4.363 5.277 0.477 5 0 "[ . 1 . 2]" 1
424 1 34 CYS H 1 34 CYS HB2 . . 3.590 2.611 2.556 2.701 . 0 0 "[ . 1 . 2]" 1
425 1 34 CYS H 1 34 CYS HB3 . . 3.430 2.481 2.365 2.566 . 0 0 "[ . 1 . 2]" 1
426 1 34 CYS H 1 35 VAL H . . 5.070 4.423 4.270 4.481 . 0 0 "[ . 1 . 2]" 1
427 1 34 CYS H 1 38 GLY H . . 4.670 3.746 3.552 3.889 . 0 0 "[ . 1 . 2]" 1
428 1 34 CYS H 1 38 GLY HA2 . . 5.030 2.833 2.442 3.123 . 0 0 "[ . 1 . 2]" 1
429 1 34 CYS H 1 38 GLY HA3 . . 5.140 4.522 4.136 4.790 . 0 0 "[ . 1 . 2]" 1
430 1 34 CYS H 1 39 GLN H . . 4.080 3.320 3.117 3.460 . 0 0 "[ . 1 . 2]" 1
431 1 34 CYS H 1 39 GLN HB2 . . 5.050 5.008 4.893 5.069 0.019 3 0 "[ . 1 . 2]" 1
432 1 34 CYS H 1 40 MET HA . . 4.580 4.453 4.304 4.586 0.006 12 0 "[ . 1 . 2]" 1
433 1 34 CYS H 1 41 PHE QD . . 4.720 4.520 4.364 4.713 . 0 0 "[ . 1 . 2]" 1
434 1 34 CYS H 1 41 PHE HE1 . . 4.540 2.475 2.255 2.781 . 0 0 "[ . 1 . 2]" 1
435 1 34 CYS H 1 56 HIS HE1 . . 4.510 4.116 3.915 4.445 . 0 0 "[ . 1 . 2]" 1
436 1 34 CYS HA 1 35 VAL H . . 3.240 2.146 2.139 2.187 . 0 0 "[ . 1 . 2]" 1
437 1 34 CYS HA 1 35 VAL MG1 . . 4.120 3.709 3.535 3.813 . 0 0 "[ . 1 . 2]" 1
438 1 34 CYS HA 1 35 VAL MG2 . . 4.170 3.849 3.718 3.959 . 0 0 "[ . 1 . 2]" 1
439 1 34 CYS HA 1 37 CYS H . . 5.170 4.936 4.847 5.000 . 0 0 "[ . 1 . 2]" 1
440 1 34 CYS HA 1 38 GLY H . . 4.540 4.258 4.186 4.335 . 0 0 "[ . 1 . 2]" 1
441 1 34 CYS HA 1 39 GLN H . . 5.500 5.004 4.885 5.062 . 0 0 "[ . 1 . 2]" 1
442 1 34 CYS HA 1 41 PHE HE1 . . 5.090 4.166 4.043 4.346 . 0 0 "[ . 1 . 2]" 1
443 1 34 CYS HA 1 41 PHE HE2 . . 5.500 4.589 4.373 4.863 . 0 0 "[ . 1 . 2]" 1
444 1 34 CYS HA 1 41 PHE HZ . . 4.220 2.610 2.446 2.783 . 0 0 "[ . 1 . 2]" 1
445 1 34 CYS HA 1 54 ILE H . . 4.620 4.351 4.060 4.638 0.018 18 0 "[ . 1 . 2]" 1
446 1 34 CYS HA 1 54 ILE HB . . 5.140 2.867 2.569 3.154 . 0 0 "[ . 1 . 2]" 1
447 1 34 CYS HA 1 54 ILE MG . . 4.130 3.033 2.734 3.278 . 0 0 "[ . 1 . 2]" 1
448 1 34 CYS HA 1 55 TRP HA . . 4.320 4.072 3.895 4.229 . 0 0 "[ . 1 . 2]" 1
449 1 34 CYS HA 1 56 HIS H . . 5.120 4.467 4.263 4.698 . 0 0 "[ . 1 . 2]" 1
450 1 34 CYS HB2 1 35 VAL H . . 4.710 4.285 4.209 4.439 . 0 0 "[ . 1 . 2]" 1
451 1 34 CYS HB2 1 37 CYS H . . 4.630 4.335 4.290 4.372 . 0 0 "[ . 1 . 2]" 1
452 1 34 CYS HB2 1 38 GLY H . . 4.300 3.568 3.544 3.613 . 0 0 "[ . 1 . 2]" 1
453 1 34 CYS HB2 1 39 GLN H . . 4.600 3.578 3.494 3.639 . 0 0 "[ . 1 . 2]" 1
454 1 34 CYS HB2 1 41 PHE HE1 . . 5.210 4.072 3.942 4.268 . 0 0 "[ . 1 . 2]" 1
455 1 34 CYS HB2 1 41 PHE HE2 . . 5.380 3.097 2.949 3.320 . 0 0 "[ . 1 . 2]" 1
456 1 34 CYS HB2 1 41 PHE HZ . . 4.270 2.031 1.981 2.180 . 0 0 "[ . 1 . 2]" 1
457 1 34 CYS HB2 1 56 HIS H . . 4.880 3.727 3.522 3.955 . 0 0 "[ . 1 . 2]" 1
458 1 34 CYS HB2 1 56 HIS HE1 . . 4.140 3.064 2.964 3.231 . 0 0 "[ . 1 . 2]" 1
459 1 34 CYS HB3 1 35 VAL H . . 4.940 4.416 4.367 4.508 . 0 0 "[ . 1 . 2]" 1
460 1 34 CYS HB3 1 37 CYS H . . 4.080 3.238 3.157 3.319 . 0 0 "[ . 1 . 2]" 1
461 1 34 CYS HB3 1 38 GLY H . . 3.780 1.859 1.829 1.885 . 0 0 "[ . 1 . 2]" 1
462 1 34 CYS HB3 1 39 GLN H . . 3.910 2.179 2.091 2.225 . 0 0 "[ . 1 . 2]" 1
463 1 34 CYS HB3 1 39 GLN HB2 . . 4.500 3.900 3.738 4.038 . 0 0 "[ . 1 . 2]" 1
464 1 34 CYS HB3 1 41 PHE HE1 . . 5.150 4.681 4.564 4.918 . 0 0 "[ . 1 . 2]" 1
465 1 34 CYS HB3 1 41 PHE HE2 . . 5.500 4.687 4.534 4.894 . 0 0 "[ . 1 . 2]" 1
466 1 34 CYS HB3 1 41 PHE HZ . . 4.760 3.377 3.258 3.521 . 0 0 "[ . 1 . 2]" 1
467 1 34 CYS HB3 1 56 HIS HE1 . . 3.940 3.044 2.871 3.309 . 0 0 "[ . 1 . 2]" 1
468 1 35 VAL H 1 35 VAL HB . . 3.970 3.611 3.605 3.622 . 0 0 "[ . 1 . 2]" 1
469 1 35 VAL H 1 35 VAL MG1 . . 3.540 2.047 1.855 2.175 . 0 0 "[ . 1 . 2]" 1
470 1 35 VAL H 1 35 VAL MG2 . . 3.470 2.334 2.185 2.491 . 0 0 "[ . 1 . 2]" 1
471 1 35 VAL H 1 36 ARG HB2 . . 5.160 4.950 4.810 5.165 0.005 2 0 "[ . 1 . 2]" 1
472 1 35 VAL H 1 41 PHE HZ . . 4.970 4.733 4.559 4.918 . 0 0 "[ . 1 . 2]" 1
473 1 35 VAL H 1 54 ILE MG . . 4.510 4.439 4.189 4.536 0.026 10 0 "[ . 1 . 2]" 1
474 1 35 VAL H 1 55 TRP HA . . 4.500 4.270 4.051 4.506 0.006 2 0 "[ . 1 . 2]" 1
475 1 35 VAL HA 1 35 VAL MG1 . . 3.470 2.348 2.283 2.455 . 0 0 "[ . 1 . 2]" 1
476 1 35 VAL HA 1 35 VAL MG2 . . 3.510 3.195 3.186 3.202 . 0 0 "[ . 1 . 2]" 1
477 1 35 VAL HB 1 36 ARG H . . 4.830 3.858 3.713 3.986 . 0 0 "[ . 1 . 2]" 1
478 1 35 VAL MG1 1 36 ARG H . . 4.180 3.839 3.740 3.943 . 0 0 "[ . 1 . 2]" 1
479 1 35 VAL MG1 1 36 ARG HA . . 5.460 5.390 5.359 5.423 . 0 0 "[ . 1 . 2]" 1
480 1 35 VAL MG1 1 36 ARG HB2 . . 5.500 5.451 5.384 5.512 0.012 13 0 "[ . 1 . 2]" 1
481 1 35 VAL MG1 1 53 SER HA . . 4.220 3.497 3.065 3.734 . 0 0 "[ . 1 . 2]" 1
482 1 35 VAL MG1 1 53 SER HB2 . . 4.140 3.427 3.257 3.730 . 0 0 "[ . 1 . 2]" 1
483 1 35 VAL MG1 1 53 SER HB3 . . 3.990 2.087 1.868 2.315 . 0 0 "[ . 1 . 2]" 1
484 1 35 VAL MG1 1 54 ILE H . . 4.140 2.851 2.689 3.004 . 0 0 "[ . 1 . 2]" 1
485 1 35 VAL MG1 1 55 TRP HA . . 4.790 4.804 4.745 4.867 0.077 12 0 "[ . 1 . 2]" 1
486 1 35 VAL MG1 1 55 TRP HD1 . . 5.500 5.455 5.296 5.509 0.009 18 0 "[ . 1 . 2]" 1
487 1 35 VAL MG1 1 55 TRP HE1 . . 4.660 4.595 4.452 4.682 0.022 18 0 "[ . 1 . 2]" 1
488 1 35 VAL MG1 1 55 TRP HH2 . . 4.810 4.544 4.358 4.745 . 0 0 "[ . 1 . 2]" 1
489 1 35 VAL MG1 1 55 TRP HZ2 . . 4.320 4.103 3.976 4.288 . 0 0 "[ . 1 . 2]" 1
490 1 35 VAL MG1 1 55 TRP HZ3 . . 5.300 5.140 4.958 5.301 0.001 17 0 "[ . 1 . 2]" 1
491 1 35 VAL MG2 1 36 ARG H . . 4.500 2.004 1.852 2.165 . 0 0 "[ . 1 . 2]" 1
492 1 35 VAL MG2 1 36 ARG HB2 . . 4.650 3.009 2.952 3.076 . 0 0 "[ . 1 . 2]" 1
493 1 35 VAL MG2 1 36 ARG HD2 . . 5.090 3.934 3.824 4.153 . 0 0 "[ . 1 . 2]" 1
494 1 35 VAL MG2 1 36 ARG HD3 . . 5.430 4.973 4.629 5.205 . 0 0 "[ . 1 . 2]" 1
495 1 35 VAL MG2 1 36 ARG HG3 . . 4.920 4.778 4.682 4.887 . 0 0 "[ . 1 . 2]" 1
496 1 35 VAL MG2 1 53 SER HA . . 5.110 4.959 4.675 5.145 0.035 12 0 "[ . 1 . 2]" 1
497 1 35 VAL MG2 1 53 SER HB2 . . 4.140 3.664 3.413 3.858 . 0 0 "[ . 1 . 2]" 1
498 1 35 VAL MG2 1 53 SER HB3 . . 3.820 3.089 2.792 3.299 . 0 0 "[ . 1 . 2]" 1
499 1 35 VAL MG2 1 54 ILE H . . 4.270 4.145 3.864 4.261 . 0 0 "[ . 1 . 2]" 1
500 1 35 VAL MG2 1 55 TRP HA . . 4.790 3.480 3.301 3.594 . 0 0 "[ . 1 . 2]" 1
501 1 35 VAL MG2 1 55 TRP QB . . 5.500 4.289 4.201 4.367 . 0 0 "[ . 1 . 2]" 1
502 1 35 VAL MG2 1 55 TRP HE1 . . 4.130 3.989 3.839 4.147 0.017 1 0 "[ . 1 . 2]" 1
503 1 35 VAL MG2 1 55 TRP HH2 . . 4.910 2.498 2.389 2.585 . 0 0 "[ . 1 . 2]" 1
504 1 35 VAL MG2 1 55 TRP HZ2 . . 4.240 2.889 2.760 3.055 . 0 0 "[ . 1 . 2]" 1
505 1 36 ARG H 1 36 ARG HB2 . . 3.630 2.354 2.300 2.398 . 0 0 "[ . 1 . 2]" 1
506 1 36 ARG H 1 36 ARG HB3 . . 3.670 2.712 2.686 2.769 . 0 0 "[ . 1 . 2]" 1
507 1 36 ARG H 1 36 ARG HD2 . . 5.030 4.294 4.106 4.612 . 0 0 "[ . 1 . 2]" 1
508 1 36 ARG H 1 36 ARG HD3 . . 5.250 5.025 4.716 5.232 . 0 0 "[ . 1 . 2]" 1
509 1 36 ARG H 1 36 ARG HG2 . . 4.970 4.639 4.634 4.650 . 0 0 "[ . 1 . 2]" 1
510 1 36 ARG H 1 36 ARG HG3 . . 4.520 4.388 4.363 4.405 . 0 0 "[ . 1 . 2]" 1
511 1 36 ARG H 1 37 CYS H . . 3.640 3.041 2.954 3.124 . 0 0 "[ . 1 . 2]" 1
512 1 36 ARG H 1 38 GLY H . . 4.220 4.116 3.902 4.248 0.028 2 0 "[ . 1 . 2]" 1
513 1 36 ARG H 1 59 CYS HB3 . . 4.770 4.723 4.623 4.795 0.025 2 0 "[ . 1 . 2]" 1
514 1 36 ARG HA 1 36 ARG HD2 . . 4.320 3.121 2.971 3.246 . 0 0 "[ . 1 . 2]" 1
515 1 36 ARG HA 1 36 ARG HD3 . . 4.510 4.282 4.081 4.415 . 0 0 "[ . 1 . 2]" 1
516 1 36 ARG HA 1 36 ARG HG3 . . 3.650 2.350 2.320 2.408 . 0 0 "[ . 1 . 2]" 1
517 1 36 ARG HB2 1 36 ARG HD2 . . 3.770 2.201 2.017 2.515 . 0 0 "[ . 1 . 2]" 1
518 1 36 ARG HB2 1 36 ARG HD3 . . 3.710 2.673 2.323 2.910 . 0 0 "[ . 1 . 2]" 1
519 1 36 ARG HB2 1 37 CYS H . . 3.690 3.371 3.349 3.389 . 0 0 "[ . 1 . 2]" 1
520 1 36 ARG HB2 1 55 TRP HE3 . . 4.670 2.752 2.520 2.936 . 0 0 "[ . 1 . 2]" 1
521 1 36 ARG HB2 1 55 TRP HZ3 . . 4.290 2.908 2.728 2.968 . 0 0 "[ . 1 . 2]" 1
522 1 36 ARG HB2 1 59 CYS HB2 . . 4.150 3.698 3.604 3.788 . 0 0 "[ . 1 . 2]" 1
523 1 36 ARG HB2 1 59 CYS HB3 . . 3.800 2.739 2.632 2.813 . 0 0 "[ . 1 . 2]" 1
524 1 36 ARG HB3 1 36 ARG HD2 . . 3.780 3.495 3.348 3.709 . 0 0 "[ . 1 . 2]" 1
525 1 36 ARG HB3 1 36 ARG HD3 . . 3.760 3.378 3.200 3.491 . 0 0 "[ . 1 . 2]" 1
526 1 36 ARG HB3 1 37 CYS H . . 3.590 1.855 1.833 1.877 . 0 0 "[ . 1 . 2]" 1
527 1 36 ARG HB3 1 37 CYS HB3 . . 4.690 3.710 3.664 3.763 . 0 0 "[ . 1 . 2]" 1
528 1 36 ARG HB3 1 55 TRP HZ3 . . 4.670 4.638 4.433 4.700 0.030 13 0 "[ . 1 . 2]" 1
529 1 36 ARG HB3 1 59 CYS HB2 . . 4.380 3.452 3.365 3.537 . 0 0 "[ . 1 . 2]" 1
530 1 36 ARG HB3 1 59 CYS HB3 . . 3.870 2.519 2.447 2.593 . 0 0 "[ . 1 . 2]" 1
531 1 36 ARG HD2 1 55 TRP HZ3 . . 4.370 2.349 2.211 2.511 . 0 0 "[ . 1 . 2]" 1
532 1 36 ARG HD2 1 59 CYS HA . . 5.500 4.978 4.760 5.194 . 0 0 "[ . 1 . 2]" 1
533 1 36 ARG HD2 1 59 CYS HB2 . . 5.070 4.649 4.308 5.001 . 0 0 "[ . 1 . 2]" 1
534 1 36 ARG HD2 1 62 ALA MB . . 5.010 4.653 4.370 4.858 . 0 0 "[ . 1 . 2]" 1
535 1 36 ARG HD2 1 63 ALA H . . 4.880 4.156 3.824 4.303 . 0 0 "[ . 1 . 2]" 1
536 1 36 ARG HD2 1 63 ALA HA . . 5.500 4.609 3.938 5.267 . 0 0 "[ . 1 . 2]" 1
537 1 36 ARG HD2 1 63 ALA MB . . 3.730 2.264 1.947 2.754 . 0 0 "[ . 1 . 2]" 1
538 1 36 ARG HD3 1 55 TRP HZ3 . . 4.350 3.774 3.305 4.088 . 0 0 "[ . 1 . 2]" 1
539 1 36 ARG HD3 1 59 CYS HA . . 4.000 3.284 3.051 3.655 . 0 0 "[ . 1 . 2]" 1
540 1 36 ARG HD3 1 59 CYS HB2 . . 4.390 3.434 3.335 3.515 . 0 0 "[ . 1 . 2]" 1
541 1 36 ARG HD3 1 60 ARG H . . 4.800 3.946 3.806 4.285 . 0 0 "[ . 1 . 2]" 1
542 1 36 ARG HD3 1 63 ALA H . . 4.950 3.346 2.932 3.631 . 0 0 "[ . 1 . 2]" 1
543 1 36 ARG HD3 1 63 ALA MB . . 3.820 2.510 2.199 3.158 . 0 0 "[ . 1 . 2]" 1
544 1 36 ARG HG2 1 37 CYS H . . 4.140 3.503 3.464 3.562 . 0 0 "[ . 1 . 2]" 1
545 1 36 ARG HG2 1 37 CYS HB2 . . 5.500 5.548 5.495 5.575 0.075 15 0 "[ . 1 . 2]" 1
546 1 36 ARG HG2 1 37 CYS HB3 . . 4.820 3.854 3.801 3.883 . 0 0 "[ . 1 . 2]" 1
547 1 36 ARG HG2 1 55 TRP HZ3 . . 5.500 5.029 4.861 5.156 . 0 0 "[ . 1 . 2]" 1
548 1 36 ARG HG2 1 59 CYS HA . . 4.720 3.476 3.333 3.682 . 0 0 "[ . 1 . 2]" 1
549 1 36 ARG HG2 1 59 CYS HB2 . . 4.810 3.776 3.664 3.970 . 0 0 "[ . 1 . 2]" 1
550 1 36 ARG HG2 1 59 CYS HB3 . . 4.010 2.100 1.995 2.302 . 0 0 "[ . 1 . 2]" 1
551 1 36 ARG HG3 1 37 CYS H . . 4.560 3.792 3.688 3.839 . 0 0 "[ . 1 . 2]" 1
552 1 36 ARG HG3 1 37 CYS HB3 . . 5.500 4.548 4.408 4.641 . 0 0 "[ . 1 . 2]" 1
553 1 36 ARG HG3 1 55 TRP HZ3 . . 4.610 4.415 4.138 4.587 . 0 0 "[ . 1 . 2]" 1
554 1 37 CYS H 1 37 CYS HB2 . . 3.940 3.664 3.652 3.683 . 0 0 "[ . 1 . 2]" 1
555 1 37 CYS H 1 37 CYS HB3 . . 3.900 2.792 2.760 2.811 . 0 0 "[ . 1 . 2]" 1
556 1 37 CYS H 1 38 GLY H . . 3.040 2.317 2.268 2.346 . 0 0 "[ . 1 . 2]" 1
557 1 37 CYS H 1 38 GLY HA2 . . 4.520 4.477 4.423 4.512 . 0 0 "[ . 1 . 2]" 1
558 1 37 CYS H 1 59 CYS HB2 . . 5.060 4.843 4.768 4.897 . 0 0 "[ . 1 . 2]" 1
559 1 37 CYS HB2 1 38 GLY H . . 4.190 3.606 3.555 3.699 . 0 0 "[ . 1 . 2]" 1
560 1 37 CYS HB2 1 39 GLN HG2 . . 4.480 3.361 2.684 4.006 . 0 0 "[ . 1 . 2]" 1
561 1 37 CYS HB2 1 39 GLN HG3 . . 4.760 3.317 2.655 3.886 . 0 0 "[ . 1 . 2]" 1
562 1 37 CYS HB3 1 38 GLY H . . 4.430 3.812 3.786 3.877 . 0 0 "[ . 1 . 2]" 1
563 1 37 CYS HB3 1 39 GLN H . . 4.790 4.713 4.637 4.796 0.006 13 0 "[ . 1 . 2]" 1
564 1 37 CYS HB3 1 39 GLN HG2 . . 5.500 4.850 4.078 5.512 0.012 5 0 "[ . 1 . 2]" 1
565 1 37 CYS HB3 1 39 GLN HG3 . . 5.500 4.459 3.946 5.047 . 0 0 "[ . 1 . 2]" 1
566 1 38 GLY H 1 39 GLN HB2 . . 4.560 4.275 4.192 4.357 . 0 0 "[ . 1 . 2]" 1
567 1 38 GLY H 1 39 GLN HG2 . . 5.500 4.493 3.942 5.148 . 0 0 "[ . 1 . 2]" 1
568 1 38 GLY H 1 39 GLN HG3 . . 5.500 4.949 4.248 5.510 0.010 13 0 "[ . 1 . 2]" 1
569 1 38 GLY H 1 56 HIS HE1 . . 4.880 4.213 4.006 4.526 . 0 0 "[ . 1 . 2]" 1
570 1 39 GLN H 1 39 GLN HB2 . . 3.570 2.366 2.296 2.452 . 0 0 "[ . 1 . 2]" 1
571 1 39 GLN H 1 39 GLN HB3 . . 3.710 3.608 3.564 3.650 . 0 0 "[ . 1 . 2]" 1
572 1 39 GLN H 1 39 GLN HE21 . . 5.090 4.816 3.982 5.111 0.021 12 0 "[ . 1 . 2]" 1
573 1 39 GLN H 1 39 GLN HG2 . . 4.440 3.101 2.768 3.502 . 0 0 "[ . 1 . 2]" 1
574 1 39 GLN H 1 39 GLN HG3 . . 4.780 3.594 2.974 4.077 . 0 0 "[ . 1 . 2]" 1
575 1 39 GLN H 1 56 HIS HE1 . . 3.990 2.751 2.531 3.090 . 0 0 "[ . 1 . 2]" 1
576 1 39 GLN HA 1 39 GLN HG2 . . 3.590 2.530 2.264 3.077 . 0 0 "[ . 1 . 2]" 1
577 1 39 GLN HA 1 40 MET H . . 3.070 2.150 2.142 2.166 . 0 0 "[ . 1 . 2]" 1
578 1 39 GLN HA 1 40 MET ME . . 5.260 4.259 2.907 5.286 0.026 19 0 "[ . 1 . 2]" 1
579 1 39 GLN HA 1 56 HIS HE1 . . 4.730 4.410 4.311 4.576 . 0 0 "[ . 1 . 2]" 1
580 1 39 GLN HB2 1 40 MET H . . 4.550 4.314 4.222 4.390 . 0 0 "[ . 1 . 2]" 1
581 1 39 GLN HB2 1 56 HIS HE1 . . 3.330 1.992 1.978 2.009 . 0 0 "[ . 1 . 2]" 1
582 1 39 GLN HB3 1 40 MET H . . 3.440 3.347 3.222 3.436 . 0 0 "[ . 1 . 2]" 1
583 1 39 GLN HB3 1 56 HIS HE1 . . 3.560 3.334 3.168 3.507 . 0 0 "[ . 1 . 2]" 1
584 1 39 GLN HG2 1 56 HIS HE1 . . 4.990 4.523 4.017 4.900 . 0 0 "[ . 1 . 2]" 1
585 1 39 GLN HG3 1 56 HIS HE1 . . 5.240 4.065 3.879 4.302 . 0 0 "[ . 1 . 2]" 1
586 1 40 MET H 1 40 MET HB2 . . 3.080 2.431 2.309 2.582 . 0 0 "[ . 1 . 2]" 1
587 1 40 MET H 1 40 MET ME . . 4.220 3.385 2.481 4.236 0.016 20 0 "[ . 1 . 2]" 1
588 1 40 MET H 1 40 MET HG2 . . 4.050 3.910 3.411 4.085 0.035 20 0 "[ . 1 . 2]" 1
589 1 40 MET H 1 40 MET HG3 . . 3.460 2.932 2.372 3.206 . 0 0 "[ . 1 . 2]" 1
590 1 40 MET H 1 41 PHE H . . 5.150 4.638 4.607 4.649 . 0 0 "[ . 1 . 2]" 1
591 1 40 MET H 1 56 HIS HE1 . . 5.280 5.225 5.134 5.301 0.021 1 0 "[ . 1 . 2]" 1
592 1 40 MET HA 1 40 MET ME . . 5.500 4.023 3.612 4.725 . 0 0 "[ . 1 . 2]" 1
593 1 40 MET HA 1 40 MET HG2 . . 3.770 3.332 2.385 3.540 . 0 0 "[ . 1 . 2]" 1
594 1 40 MET HA 1 40 MET HG3 . . 3.970 2.330 2.215 3.056 . 0 0 "[ . 1 . 2]" 1
595 1 40 MET HA 1 41 PHE H . . 3.380 2.422 2.287 2.551 . 0 0 "[ . 1 . 2]" 1
596 1 40 MET HA 1 41 PHE QD . . 4.230 2.764 2.557 3.285 . 0 0 "[ . 1 . 2]" 1
597 1 40 MET HB3 1 41 PHE H . . 3.600 2.402 2.121 2.756 . 0 0 "[ . 1 . 2]" 1
598 1 40 MET ME 1 40 MET HG2 . . 3.690 2.761 2.200 3.258 . 0 0 "[ . 1 . 2]" 1
599 1 40 MET ME 1 40 MET HG3 . . 3.720 2.304 2.004 3.270 . 0 0 "[ . 1 . 2]" 1
600 1 40 MET ME 1 41 PHE H . . 5.500 5.528 5.388 5.607 0.107 20 0 "[ . 1 . 2]" 1
601 1 40 MET HG2 1 41 PHE H . . 4.740 4.175 3.587 4.542 . 0 0 "[ . 1 . 2]" 1
602 1 40 MET HG3 1 41 PHE H . . 4.990 4.048 3.809 4.735 . 0 0 "[ . 1 . 2]" 1
603 1 41 PHE H 1 41 PHE HB2 . . 4.110 2.821 2.689 2.903 . 0 0 "[ . 1 . 2]" 1
604 1 41 PHE H 1 41 PHE HB3 . . 4.100 3.818 3.727 3.877 . 0 0 "[ . 1 . 2]" 1
605 1 41 PHE H 1 41 PHE QD . . 3.760 2.067 1.941 2.253 . 0 0 "[ . 1 . 2]" 1
606 1 41 PHE H 1 41 PHE HE1 . . 4.980 4.251 4.124 4.389 . 0 0 "[ . 1 . 2]" 1
607 1 41 PHE H 1 42 ALA H . . 4.900 4.333 4.175 4.402 . 0 0 "[ . 1 . 2]" 1
608 1 41 PHE H 1 42 ALA HA . . 5.000 4.965 4.720 5.052 0.052 1 0 "[ . 1 . 2]" 1
609 1 41 PHE H 1 47 MET ME . . 5.280 5.206 4.811 5.312 0.032 7 0 "[ . 1 . 2]" 1
610 1 41 PHE HA 1 41 PHE QD . . 4.360 3.256 3.096 3.301 . 0 0 "[ . 1 . 2]" 1
611 1 41 PHE HA 1 42 ALA H . . 3.160 2.738 2.608 2.944 . 0 0 "[ . 1 . 2]" 1
612 1 41 PHE HA 1 45 GLU HB2 . . 5.270 4.683 4.358 4.939 . 0 0 "[ . 1 . 2]" 1
613 1 41 PHE HA 1 45 GLU HB3 . . 5.500 5.243 4.282 5.514 0.014 4 0 "[ . 1 . 2]" 1
614 1 41 PHE HB2 1 41 PHE HE1 . . 4.950 4.771 4.693 4.811 . 0 0 "[ . 1 . 2]" 1
615 1 41 PHE HB2 1 42 ALA H . . 4.260 2.702 2.346 2.933 . 0 0 "[ . 1 . 2]" 1
616 1 41 PHE HB2 1 42 ALA MB . . 4.550 4.523 4.402 4.597 0.047 13 0 "[ . 1 . 2]" 1
617 1 41 PHE HB2 1 45 GLU HB2 . . 3.870 3.719 3.570 3.880 0.010 14 0 "[ . 1 . 2]" 1
618 1 41 PHE HB2 1 47 MET ME . . 3.950 3.104 2.442 3.389 . 0 0 "[ . 1 . 2]" 1
619 1 41 PHE HB3 1 41 PHE HE2 . . 4.990 4.606 4.598 4.638 . 0 0 "[ . 1 . 2]" 1
620 1 41 PHE HB3 1 42 ALA H . . 4.490 2.059 1.890 2.212 . 0 0 "[ . 1 . 2]" 1
621 1 41 PHE HB3 1 42 ALA MB . . 4.630 3.970 3.911 4.149 . 0 0 "[ . 1 . 2]" 1
622 1 41 PHE HB3 1 45 GLU H . . 4.990 4.481 4.259 4.921 . 0 0 "[ . 1 . 2]" 1
623 1 41 PHE HB3 1 45 GLU HB2 . . 3.790 2.639 2.445 2.826 . 0 0 "[ . 1 . 2]" 1
624 1 41 PHE HB3 1 45 GLU HG2 . . 3.770 3.581 3.323 3.782 0.012 19 0 "[ . 1 . 2]" 1
625 1 41 PHE HB3 1 45 GLU HG3 . . 3.440 2.748 2.318 3.269 . 0 0 "[ . 1 . 2]" 1
626 1 41 PHE HB3 1 47 MET ME . . 4.070 2.846 2.440 3.086 . 0 0 "[ . 1 . 2]" 1
627 1 41 PHE QD 1 42 ALA H . . 4.920 4.013 3.918 4.112 . 0 0 "[ . 1 . 2]" 1
628 1 41 PHE QD 1 42 ALA MB . . 5.420 5.271 5.219 5.315 . 0 0 "[ . 1 . 2]" 1
629 1 41 PHE QD 1 45 GLU HB2 . . 4.270 3.604 3.311 4.028 . 0 0 "[ . 1 . 2]" 1
630 1 41 PHE QD 1 45 GLU HB3 . . 4.540 3.587 3.171 3.890 . 0 0 "[ . 1 . 2]" 1
631 1 41 PHE QD 1 45 GLU HG2 . . 5.120 4.992 4.858 5.137 0.017 3 0 "[ . 1 . 2]" 1
632 1 41 PHE QD 1 45 GLU HG3 . . 4.810 3.727 3.490 4.000 . 0 0 "[ . 1 . 2]" 1
633 1 41 PHE QD 1 47 MET HB3 . . 4.890 4.061 3.364 4.446 . 0 0 "[ . 1 . 2]" 1
634 1 41 PHE QD 1 47 MET ME . . 3.910 2.508 2.075 2.962 . 0 0 "[ . 1 . 2]" 1
635 1 41 PHE QD 1 47 MET HG3 . . 5.020 4.703 4.039 5.617 0.597 18 2 "[ . 1 . +-2]" 1
636 1 41 PHE QD 1 54 ILE MD . . 5.310 4.198 3.896 4.554 . 0 0 "[ . 1 . 2]" 1
637 1 41 PHE QD 1 54 ILE MG . . 4.380 3.746 3.565 3.998 . 0 0 "[ . 1 . 2]" 1
638 1 41 PHE QD 1 56 HIS HA . . 5.030 4.788 4.588 4.986 . 0 0 "[ . 1 . 2]" 1
639 1 41 PHE QD 1 56 HIS HD2 . . 4.150 3.255 2.995 3.616 . 0 0 "[ . 1 . 2]" 1
640 1 41 PHE HE1 1 54 ILE HB . . 4.480 4.217 3.950 4.482 0.002 18 0 "[ . 1 . 2]" 1
641 1 41 PHE HE1 1 54 ILE MD . . 4.270 3.307 3.023 3.794 . 0 0 "[ . 1 . 2]" 1
642 1 41 PHE HE1 1 54 ILE MG . . 4.400 3.417 3.183 3.668 . 0 0 "[ . 1 . 2]" 1
643 1 41 PHE HE2 1 47 MET HB3 . . 4.960 3.837 3.099 4.414 . 0 0 "[ . 1 . 2]" 1
644 1 41 PHE HE2 1 47 MET ME . . 4.590 3.351 2.697 4.170 . 0 0 "[ . 1 . 2]" 1
645 1 41 PHE HE2 1 47 MET HG2 . . 5.330 5.159 4.883 5.306 . 0 0 "[ . 1 . 2]" 1
646 1 41 PHE HE2 1 47 MET HG3 . . 5.500 4.105 3.223 5.341 . 0 0 "[ . 1 . 2]" 1
647 1 41 PHE HE2 1 54 ILE MG . . 4.580 2.706 2.434 3.110 . 0 0 "[ . 1 . 2]" 1
648 1 41 PHE HE2 1 56 HIS H . . 5.150 4.328 4.128 4.596 . 0 0 "[ . 1 . 2]" 1
649 1 41 PHE HE2 1 56 HIS HA . . 4.190 3.258 3.073 3.414 . 0 0 "[ . 1 . 2]" 1
650 1 41 PHE HE2 1 56 HIS HD2 . . 4.450 2.787 2.432 3.095 . 0 0 "[ . 1 . 2]" 1
651 1 41 PHE HZ 1 54 ILE HB . . 4.500 3.337 3.056 3.802 . 0 0 "[ . 1 . 2]" 1
652 1 41 PHE HZ 1 54 ILE MG . . 3.960 2.159 1.968 2.447 . 0 0 "[ . 1 . 2]" 1
653 1 41 PHE HZ 1 56 HIS H . . 4.920 4.823 4.600 4.952 0.032 12 0 "[ . 1 . 2]" 1
654 1 41 PHE HZ 1 56 HIS HA . . 5.170 5.095 4.861 5.193 0.023 3 0 "[ . 1 . 2]" 1
655 1 42 ALA H 1 42 ALA MB . . 3.020 2.289 2.126 2.807 . 0 0 "[ . 1 . 2]" 1
656 1 42 ALA H 1 43 GLU H . . 4.800 4.337 4.265 4.416 . 0 0 "[ . 1 . 2]" 1
657 1 42 ALA H 1 45 GLU H . . 5.110 3.883 3.616 4.202 . 0 0 "[ . 1 . 2]" 1
658 1 42 ALA H 1 45 GLU HB2 . . 3.870 2.894 2.311 3.197 . 0 0 "[ . 1 . 2]" 1
659 1 42 ALA H 1 45 GLU HG2 . . 4.990 2.368 2.044 2.931 . 0 0 "[ . 1 . 2]" 1
660 1 42 ALA H 1 45 GLU HG3 . . 4.880 2.365 1.933 3.354 . 0 0 "[ . 1 . 2]" 1
661 1 42 ALA HA 1 43 GLU H . . 3.160 2.780 2.544 2.845 . 0 0 "[ . 1 . 2]" 1
662 1 42 ALA HA 1 43 GLU HB3 . . 4.640 4.481 4.430 4.558 . 0 0 "[ . 1 . 2]" 1
663 1 42 ALA HA 1 43 GLU HG2 . . 5.000 4.911 4.566 4.984 . 0 0 "[ . 1 . 2]" 1
664 1 42 ALA MB 1 43 GLU H . . 3.190 1.973 1.883 2.202 . 0 0 "[ . 1 . 2]" 1
665 1 42 ALA MB 1 43 GLU HA . . 4.440 4.008 3.972 4.194 . 0 0 "[ . 1 . 2]" 1
666 1 42 ALA MB 1 43 GLU HB3 . . 4.420 4.292 4.226 4.419 . 0 0 "[ . 1 . 2]" 1
667 1 42 ALA MB 1 43 GLU HG2 . . 4.430 3.826 3.335 4.007 . 0 0 "[ . 1 . 2]" 1
668 1 42 ALA MB 1 43 GLU HG3 . . 4.810 3.894 3.653 4.453 . 0 0 "[ . 1 . 2]" 1
669 1 42 ALA MB 1 44 GLY H . . 4.990 2.828 2.559 5.057 0.067 14 0 "[ . 1 . 2]" 1
670 1 42 ALA MB 1 45 GLU H . . 4.250 3.489 2.748 3.778 . 0 0 "[ . 1 . 2]" 1
671 1 42 ALA MB 1 45 GLU HB2 . . 3.820 3.761 3.452 3.857 0.037 7 0 "[ . 1 . 2]" 1
672 1 42 ALA MB 1 45 GLU HG2 . . 3.670 1.948 1.851 2.361 . 0 0 "[ . 1 . 2]" 1
673 1 42 ALA MB 1 45 GLU HG3 . . 4.070 2.741 2.427 3.437 . 0 0 "[ . 1 . 2]" 1
674 1 43 GLU H 1 43 GLU HB3 . . 3.090 2.752 2.375 2.883 . 0 0 "[ . 1 . 2]" 1
675 1 43 GLU H 1 43 GLU HG2 . . 4.010 2.551 2.315 2.692 . 0 0 "[ . 1 . 2]" 1
676 1 43 GLU H 1 43 GLU HG3 . . 4.570 2.792 2.471 3.660 . 0 0 "[ . 1 . 2]" 1
677 1 43 GLU H 1 44 GLY H . . 4.910 3.055 2.830 4.505 . 0 0 "[ . 1 . 2]" 1
678 1 43 GLU HA 1 43 GLU HG3 . . 3.620 3.586 3.563 3.678 0.058 14 0 "[ . 1 . 2]" 1
679 1 43 GLU HA 1 44 GLY H . . 3.290 2.789 2.144 2.907 . 0 0 "[ . 1 . 2]" 1
680 1 43 GLU HA 1 44 GLY HA2 . . 4.410 4.373 4.319 4.393 . 0 0 "[ . 1 . 2]" 1
681 1 43 GLU HA 1 45 GLU H . . 4.570 4.503 3.722 4.577 0.007 13 0 "[ . 1 . 2]" 1
682 1 43 GLU HB2 1 44 GLY H . . 4.850 4.448 3.453 4.515 . 0 0 "[ . 1 . 2]" 1
683 1 43 GLU HB3 1 44 GLY H . . 5.230 4.590 4.394 4.649 . 0 0 "[ . 1 . 2]" 1
684 1 43 GLU HG3 1 44 GLY H . . 4.410 3.905 3.785 4.143 . 0 0 "[ . 1 . 2]" 1
685 1 43 GLU HG3 1 44 GLY HA2 . . 4.790 4.772 4.741 4.800 0.010 12 0 "[ . 1 . 2]" 1
686 1 43 GLU HG3 1 44 GLY HA3 . . 4.250 3.746 3.678 4.050 . 0 0 "[ . 1 . 2]" 1
687 1 44 GLY H 1 45 GLU H . . 3.700 2.049 1.916 2.868 . 0 0 "[ . 1 . 2]" 1
688 1 44 GLY H 1 45 GLU HB2 . . 4.770 3.810 3.526 4.419 . 0 0 "[ . 1 . 2]" 1
689 1 45 GLU H 1 45 GLU HB2 . . 3.020 2.334 2.271 2.482 . 0 0 "[ . 1 . 2]" 1
690 1 45 GLU H 1 45 GLU HG2 . . 4.040 2.810 2.451 3.026 . 0 0 "[ . 1 . 2]" 1
691 1 45 GLU H 1 45 GLU HG3 . . 4.220 4.004 3.856 4.189 . 0 0 "[ . 1 . 2]" 1
692 1 45 GLU H 1 46 GLU H . . 4.690 4.590 4.562 4.618 . 0 0 "[ . 1 . 2]" 1
693 1 45 GLU H 1 47 MET ME . . 5.040 3.940 3.187 5.046 0.006 12 0 "[ . 1 . 2]" 1
694 1 45 GLU HA 1 45 GLU HG2 . . 4.050 2.939 2.685 3.137 . 0 0 "[ . 1 . 2]" 1
695 1 45 GLU HA 1 45 GLU HG3 . . 4.100 3.648 3.566 3.722 . 0 0 "[ . 1 . 2]" 1
696 1 45 GLU HA 1 46 GLU H . . 3.050 2.306 2.204 2.460 . 0 0 "[ . 1 . 2]" 1
697 1 45 GLU HA 1 46 GLU HB2 . . 4.570 4.490 4.402 4.559 . 0 0 "[ . 1 . 2]" 1
698 1 45 GLU HA 1 47 MET ME . . 5.150 4.815 4.294 5.056 . 0 0 "[ . 1 . 2]" 1
699 1 45 GLU HB2 1 45 GLU HG2 . . 2.990 2.419 2.323 2.554 . 0 0 "[ . 1 . 2]" 1
700 1 45 GLU HB2 1 47 MET ME . . 4.430 2.660 2.253 3.157 . 0 0 "[ . 1 . 2]" 1
701 1 45 GLU HB3 1 46 GLU H . . 3.620 2.713 2.315 3.045 . 0 0 "[ . 1 . 2]" 1
702 1 45 GLU HB3 1 46 GLU HA . . 4.790 4.473 4.361 4.551 . 0 0 "[ . 1 . 2]" 1
703 1 45 GLU HB3 1 47 MET H . . 5.500 5.162 4.981 5.463 . 0 0 "[ . 1 . 2]" 1
704 1 45 GLU HB3 1 56 HIS HD2 . . 5.260 5.019 4.607 5.240 . 0 0 "[ . 1 . 2]" 1
705 1 45 GLU HG2 1 46 GLU H . . 4.980 4.778 4.539 4.999 0.019 12 0 "[ . 1 . 2]" 1
706 1 45 GLU HG3 1 46 GLU H . . 4.980 4.738 4.418 4.923 . 0 0 "[ . 1 . 2]" 1
707 1 46 GLU H 1 46 GLU HB2 . . 3.290 2.457 2.357 2.565 . 0 0 "[ . 1 . 2]" 1
708 1 46 GLU H 1 46 GLU HG2 . . 4.180 4.220 4.054 4.330 0.150 8 0 "[ . 1 . 2]" 1
709 1 46 GLU H 1 46 GLU HG3 . . 4.320 3.324 2.962 3.837 . 0 0 "[ . 1 . 2]" 1
710 1 46 GLU H 1 47 MET H . . 4.620 4.357 4.290 4.479 . 0 0 "[ . 1 . 2]" 1
711 1 46 GLU H 1 47 MET ME . . 5.500 4.754 4.298 5.235 . 0 0 "[ . 1 . 2]" 1
712 1 46 GLU HA 1 46 GLU HG2 . . 4.250 3.027 2.371 3.623 . 0 0 "[ . 1 . 2]" 1
713 1 46 GLU HA 1 46 GLU HG3 . . 3.890 2.607 2.284 3.025 . 0 0 "[ . 1 . 2]" 1
714 1 46 GLU HA 1 47 MET H . . 3.380 2.144 2.139 2.178 . 0 0 "[ . 1 . 2]" 1
715 1 46 GLU HA 1 47 MET ME . . 5.020 4.363 3.789 4.831 . 0 0 "[ . 1 . 2]" 1
716 1 46 GLU HB3 1 47 MET H . . 4.030 3.441 3.128 3.591 . 0 0 "[ . 1 . 2]" 1
717 1 46 GLU HG2 1 47 MET H . . 4.490 4.728 4.100 5.262 0.772 11 9 "[ ** . * *+ **- * 2]" 1
718 1 46 GLU HG3 1 47 MET H . . 5.260 4.626 4.160 5.082 . 0 0 "[ . 1 . 2]" 1
719 1 47 MET H 1 47 MET HB2 . . 4.020 3.871 3.757 3.956 . 0 0 "[ . 1 . 2]" 1
720 1 47 MET H 1 47 MET HB3 . . 4.180 3.389 3.191 3.526 . 0 0 "[ . 1 . 2]" 1
721 1 47 MET H 1 47 MET ME . . 4.750 3.929 3.378 4.215 . 0 0 "[ . 1 . 2]" 1
722 1 47 MET H 1 47 MET HG2 . . 4.320 2.631 1.967 3.229 . 0 0 "[ . 1 . 2]" 1
723 1 47 MET H 1 47 MET HG3 . . 4.870 3.753 3.204 4.194 . 0 0 "[ . 1 . 2]" 1
724 1 47 MET H 1 48 TYR HA . . 4.910 4.835 4.636 4.940 0.030 12 0 "[ . 1 . 2]" 1
725 1 47 MET HB2 1 48 TYR H . . 4.400 2.571 2.225 3.122 . 0 0 "[ . 1 . 2]" 1
726 1 47 MET HB2 1 49 LEU QD . . 4.670 3.921 3.516 4.443 . 0 0 "[ . 1 . 2]" 1
727 1 47 MET HB2 1 54 ILE MG . . 4.400 3.318 2.202 4.014 . 0 0 "[ . 1 . 2]" 1
728 1 47 MET HB3 1 48 TYR H . . 4.340 3.783 3.593 4.085 . 0 0 "[ . 1 . 2]" 1
729 1 47 MET HB3 1 49 LEU QD . . 5.010 4.724 4.438 4.955 . 0 0 "[ . 1 . 2]" 1
730 1 47 MET HB3 1 54 ILE MG . . 4.600 3.901 3.104 4.380 . 0 0 "[ . 1 . 2]" 1
731 1 47 MET ME 1 47 MET HG2 . . 3.530 2.676 2.025 3.260 . 0 0 "[ . 1 . 2]" 1
732 1 47 MET ME 1 54 ILE MD . . 3.840 3.593 3.047 3.869 0.029 18 0 "[ . 1 . 2]" 1
733 1 47 MET ME 1 54 ILE MG . . 3.560 2.510 1.874 3.494 . 0 0 "[ . 1 . 2]" 1
734 1 47 MET HG2 1 48 TYR H . . 4.880 4.216 3.442 4.973 0.093 18 0 "[ . 1 . 2]" 1
735 1 47 MET HG2 1 49 LEU QD . . 4.290 2.881 2.106 3.932 . 0 0 "[ . 1 . 2]" 1
736 1 47 MET HG2 1 54 ILE MG . . 4.330 3.289 2.486 4.144 . 0 0 "[ . 1 . 2]" 1
737 1 47 MET HG3 1 49 LEU QD . . 4.930 3.034 2.378 3.600 . 0 0 "[ . 1 . 2]" 1
738 1 47 MET HG3 1 54 ILE MG . . 4.590 2.343 1.857 3.267 . 0 0 "[ . 1 . 2]" 1
739 1 48 TYR H 1 48 TYR HB2 . . 4.070 2.576 2.493 2.664 . 0 0 "[ . 1 . 2]" 1
740 1 48 TYR H 1 55 TRP H . . 4.810 4.421 3.946 4.807 . 0 0 "[ . 1 . 2]" 1
741 1 48 TYR HA 1 48 TYR QD . . 4.550 2.766 2.444 3.024 . 0 0 "[ . 1 . 2]" 1
742 1 48 TYR HA 1 49 LEU QD . . 4.480 3.368 2.898 3.843 . 0 0 "[ . 1 . 2]" 1
743 1 48 TYR HB2 1 48 TYR QE . . 5.010 4.401 4.384 4.424 . 0 0 "[ . 1 . 2]" 1
744 1 48 TYR HB2 1 49 LEU H . . 5.230 3.878 3.652 4.245 . 0 0 "[ . 1 . 2]" 1
745 1 48 TYR HB2 1 55 TRP QB . . 4.140 2.687 2.307 2.900 . 0 0 "[ . 1 . 2]" 1
746 1 48 TYR HB3 1 48 TYR QE . . 4.820 4.440 4.411 4.474 . 0 0 "[ . 1 . 2]" 1
747 1 48 TYR HB3 1 49 LEU H . . 5.110 2.928 2.720 3.410 . 0 0 "[ . 1 . 2]" 1
748 1 48 TYR HB3 1 55 TRP QB . . 5.500 3.975 3.736 4.171 . 0 0 "[ . 1 . 2]" 1
749 1 48 TYR QD 1 49 LEU H . . 5.010 4.080 3.901 4.278 . 0 0 "[ . 1 . 2]" 1
750 1 48 TYR QD 1 55 TRP QB . . 4.320 3.797 3.168 3.978 . 0 0 "[ . 1 . 2]" 1
751 1 48 TYR QD 1 57 PRO HA . . 4.670 2.525 2.329 3.134 . 0 0 "[ . 1 . 2]" 1
752 1 48 TYR QD 1 60 ARG QB . . 5.000 2.689 2.029 2.968 . 0 0 "[ . 1 . 2]" 1
753 1 48 TYR QD 1 60 ARG QD . . 4.390 3.646 2.908 4.021 . 0 0 "[ . 1 . 2]" 1
754 1 48 TYR QE 1 57 PRO HA . . 3.940 1.994 1.948 2.045 . 0 0 "[ . 1 . 2]" 1
755 1 48 TYR QE 1 57 PRO HB3 . . 4.370 3.460 3.101 3.965 . 0 0 "[ . 1 . 2]" 1
756 1 48 TYR QE 1 57 PRO HD3 . . 5.500 5.409 5.207 5.453 . 0 0 "[ . 1 . 2]" 1
757 1 48 TYR QE 1 57 PRO HG3 . . 5.500 5.545 5.277 5.776 0.276 17 0 "[ . 1 . 2]" 1
758 1 48 TYR QE 1 58 ALA HA . . 5.500 5.175 4.626 5.527 0.027 19 0 "[ . 1 . 2]" 1
759 1 48 TYR QE 1 60 ARG QD . . 4.900 4.210 3.148 4.685 . 0 0 "[ . 1 . 2]" 1
760 1 49 LEU H 1 49 LEU HB2 . . 3.800 2.411 2.175 2.603 . 0 0 "[ . 1 . 2]" 1
761 1 49 LEU H 1 49 LEU HB3 . . 3.970 3.529 3.378 3.665 . 0 0 "[ . 1 . 2]" 1
762 1 49 LEU H 1 49 LEU QD . . 4.240 2.903 2.592 3.456 . 0 0 "[ . 1 . 2]" 1
763 1 49 LEU H 1 49 LEU HG . . 4.590 4.455 4.158 4.582 . 0 0 "[ . 1 . 2]" 1
764 1 49 LEU H 1 50 GLN H . . 4.970 4.397 4.032 4.529 . 0 0 "[ . 1 . 2]" 1
765 1 49 LEU HA 1 50 GLN H . . 3.450 2.194 2.140 2.270 . 0 0 "[ . 1 . 2]" 1
766 1 49 LEU HA 1 54 ILE MG . . 4.940 4.751 3.985 4.931 . 0 0 "[ . 1 . 2]" 1
767 1 49 LEU HA 1 55 TRP H . . 4.430 3.276 2.997 3.577 . 0 0 "[ . 1 . 2]" 1
768 1 49 LEU HB2 1 50 GLN H . . 5.000 4.304 4.054 4.575 . 0 0 "[ . 1 . 2]" 1
769 1 49 LEU HB3 1 50 GLN H . . 4.640 3.217 2.808 3.805 . 0 0 "[ . 1 . 2]" 1
770 1 49 LEU HB3 1 55 TRP HD1 . . 5.500 5.233 4.857 5.508 0.008 1 0 "[ . 1 . 2]" 1
771 1 49 LEU QD 1 50 GLN H . . 4.930 2.965 2.392 4.287 . 0 0 "[ . 1 . 2]" 1
772 1 49 LEU QD 1 53 SER H . . 4.900 3.462 2.766 4.170 . 0 0 "[ . 1 . 2]" 1
773 1 49 LEU QD 1 54 ILE HA . . 5.380 2.452 1.880 3.543 . 0 0 "[ . 1 . 2]" 1
774 1 49 LEU QD 1 54 ILE MD . . 5.150 3.794 3.142 4.329 . 0 0 "[ . 1 . 2]" 1
775 1 49 LEU HG 1 50 GLN H . . 4.930 4.619 3.478 4.974 0.044 11 0 "[ . 1 . 2]" 1
776 1 50 GLN H 1 50 GLN HB3 . . 3.930 3.344 2.679 3.890 . 0 0 "[ . 1 . 2]" 1
777 1 50 GLN H 1 50 GLN HG3 . . 4.580 4.431 3.567 4.850 0.270 14 0 "[ . 1 . 2]" 1
778 1 50 GLN H 1 53 SER H . . 4.250 2.964 2.596 3.648 . 0 0 "[ . 1 . 2]" 1
779 1 50 GLN H 1 53 SER HB2 . . 4.870 3.853 3.354 4.235 . 0 0 "[ . 1 . 2]" 1
780 1 50 GLN H 1 54 ILE HA . . 4.820 4.379 3.624 4.685 . 0 0 "[ . 1 . 2]" 1
781 1 50 GLN H 1 55 TRP HD1 . . 4.690 2.493 1.883 2.911 . 0 0 "[ . 1 . 2]" 1
782 1 50 GLN HA 1 50 GLN HG2 . . 3.830 2.690 2.026 3.679 . 0 0 "[ . 1 . 2]" 1
783 1 50 GLN HA 1 53 SER H . . 4.930 4.704 4.173 4.924 . 0 0 "[ . 1 . 2]" 1
784 1 50 GLN HB2 1 55 TRP HD1 . . 4.590 2.598 1.997 3.190 . 0 0 "[ . 1 . 2]" 1
785 1 50 GLN HB2 1 55 TRP HE1 . . 4.320 2.851 2.055 3.366 . 0 0 "[ . 1 . 2]" 1
786 1 50 GLN HB2 1 55 TRP HZ2 . . 5.500 5.195 4.465 5.553 0.053 12 0 "[ . 1 . 2]" 1
787 1 50 GLN HB3 1 50 GLN HE21 . . 4.400 3.733 2.192 4.628 0.228 13 0 "[ . 1 . 2]" 1
788 1 50 GLN HB3 1 53 SER H . . 4.870 4.477 3.883 5.111 0.241 11 0 "[ . 1 . 2]" 1
789 1 50 GLN HB3 1 53 SER HB2 . . 4.680 4.163 3.280 4.869 0.189 11 0 "[ . 1 . 2]" 1
790 1 50 GLN HB3 1 55 TRP HD1 . . 5.140 3.640 2.705 4.218 . 0 0 "[ . 1 . 2]" 1
791 1 50 GLN HB3 1 55 TRP HE1 . . 4.130 2.667 1.876 3.381 . 0 0 "[ . 1 . 2]" 1
792 1 50 GLN HB3 1 55 TRP HZ2 . . 5.280 4.682 4.163 5.299 0.019 11 0 "[ . 1 . 2]" 1
793 1 52 SER HB2 1 53 SER H . . 4.990 4.401 3.822 4.584 . 0 0 "[ . 1 . 2]" 1
794 1 52 SER HB3 1 53 SER H . . 5.330 4.185 2.928 4.612 . 0 0 "[ . 1 . 2]" 1
795 1 53 SER H 1 53 SER HB2 . . 3.360 2.816 2.694 2.875 . 0 0 "[ . 1 . 2]" 1
796 1 53 SER H 1 53 SER HB3 . . 3.860 3.821 3.590 3.849 . 0 0 "[ . 1 . 2]" 1
797 1 53 SER H 1 54 ILE H . . 4.570 4.464 4.424 4.599 0.029 14 0 "[ . 1 . 2]" 1
798 1 53 SER HA 1 54 ILE H . . 3.480 2.277 2.197 2.327 . 0 0 "[ . 1 . 2]" 1
799 1 53 SER HA 1 54 ILE HB . . 4.790 4.696 4.628 4.794 0.004 17 0 "[ . 1 . 2]" 1
800 1 53 SER HA 1 54 ILE MD . . 4.800 4.569 4.098 4.883 0.083 18 0 "[ . 1 . 2]" 1
801 1 53 SER HB2 1 54 ILE H . . 4.480 3.683 3.561 3.892 . 0 0 "[ . 1 . 2]" 1
802 1 53 SER HB2 1 55 TRP HE1 . . 4.130 1.967 1.886 2.112 . 0 0 "[ . 1 . 2]" 1
803 1 53 SER HB2 1 55 TRP HH2 . . 5.500 5.523 5.506 5.553 0.053 19 0 "[ . 1 . 2]" 1
804 1 53 SER HB2 1 55 TRP HZ2 . . 5.090 3.468 3.338 3.517 . 0 0 "[ . 1 . 2]" 1
805 1 53 SER HB3 1 54 ILE H . . 4.380 2.822 2.689 3.071 . 0 0 "[ . 1 . 2]" 1
806 1 53 SER HB3 1 55 TRP HD1 . . 5.090 4.792 4.709 4.989 . 0 0 "[ . 1 . 2]" 1
807 1 53 SER HB3 1 55 TRP HE1 . . 4.220 3.541 3.297 3.708 . 0 0 "[ . 1 . 2]" 1
808 1 53 SER HB3 1 55 TRP HZ2 . . 5.030 4.038 3.670 4.141 . 0 0 "[ . 1 . 2]" 1
809 1 54 ILE H 1 54 ILE HB . . 3.740 2.517 2.466 2.572 . 0 0 "[ . 1 . 2]" 1
810 1 54 ILE H 1 54 ILE MD . . 4.670 3.432 3.060 3.715 . 0 0 "[ . 1 . 2]" 1
811 1 54 ILE H 1 54 ILE HG12 . . 4.110 3.869 3.687 4.152 0.042 4 0 "[ . 1 . 2]" 1
812 1 54 ILE H 1 54 ILE HG13 . . 4.600 2.497 2.334 2.805 . 0 0 "[ . 1 . 2]" 1
813 1 54 ILE H 1 54 ILE MG . . 4.400 3.793 3.773 3.809 . 0 0 "[ . 1 . 2]" 1
814 1 54 ILE HA 1 54 ILE MD . . 4.760 3.872 3.810 3.899 . 0 0 "[ . 1 . 2]" 1
815 1 54 ILE HA 1 55 TRP HD1 . . 4.910 3.931 3.584 4.085 . 0 0 "[ . 1 . 2]" 1
816 1 54 ILE HB 1 54 ILE MD . . 3.120 2.240 2.029 2.382 . 0 0 "[ . 1 . 2]" 1
817 1 54 ILE HB 1 55 TRP H . . 4.590 4.287 4.150 4.352 . 0 0 "[ . 1 . 2]" 1
818 1 54 ILE HG12 1 54 ILE MG . . 3.460 2.258 2.006 2.360 . 0 0 "[ . 1 . 2]" 1
819 1 54 ILE HG12 1 55 TRP H . . 5.060 4.623 4.377 4.866 . 0 0 "[ . 1 . 2]" 1
820 1 54 ILE MG 1 55 TRP H . . 4.040 2.769 2.326 3.001 . 0 0 "[ . 1 . 2]" 1
821 1 54 ILE MG 1 55 TRP HA . . 5.070 3.745 3.583 3.872 . 0 0 "[ . 1 . 2]" 1
822 1 55 TRP H 1 55 TRP HD1 . . 4.660 3.012 2.894 3.199 . 0 0 "[ . 1 . 2]" 1
823 1 55 TRP H 1 55 TRP HE3 . . 5.500 5.439 5.363 5.547 0.047 14 0 "[ . 1 . 2]" 1
824 1 55 TRP HA 1 55 TRP HE3 . . 4.940 3.027 2.933 3.174 . 0 0 "[ . 1 . 2]" 1
825 1 55 TRP HA 1 59 CYS HB2 . . 4.830 4.193 4.043 4.309 . 0 0 "[ . 1 . 2]" 1
826 1 55 TRP QB 1 55 TRP HE3 . . 3.910 2.586 2.534 2.619 . 0 0 "[ . 1 . 2]" 1
827 1 55 TRP QB 1 56 HIS H . . 4.360 3.299 3.080 3.493 . 0 0 "[ . 1 . 2]" 1
828 1 55 TRP QB 1 60 ARG H . . 4.260 3.337 3.229 3.507 . 0 0 "[ . 1 . 2]" 1
829 1 55 TRP QB 1 60 ARG HA . . 3.650 3.103 2.801 3.361 . 0 0 "[ . 1 . 2]" 1
830 1 55 TRP QB 1 60 ARG QB . . 4.280 2.182 1.954 2.449 . 0 0 "[ . 1 . 2]" 1
831 1 55 TRP QB 1 60 ARG QD . . 5.500 4.178 3.963 4.543 . 0 0 "[ . 1 . 2]" 1
832 1 55 TRP HE3 1 59 CYS HB2 . . 4.180 4.099 4.014 4.171 . 0 0 "[ . 1 . 2]" 1
833 1 55 TRP HE3 1 59 CYS HB3 . . 3.970 3.972 3.912 4.018 0.048 19 0 "[ . 1 . 2]" 1
834 1 55 TRP HE3 1 60 ARG H . . 5.060 4.069 3.969 4.399 . 0 0 "[ . 1 . 2]" 1
835 1 55 TRP HE3 1 60 ARG HA . . 4.190 3.172 3.058 3.344 . 0 0 "[ . 1 . 2]" 1
836 1 55 TRP HE3 1 60 ARG QB . . 5.500 4.010 3.855 4.305 . 0 0 "[ . 1 . 2]" 1
837 1 55 TRP HE3 1 63 ALA MB . . 4.450 3.243 2.786 3.487 . 0 0 "[ . 1 . 2]" 1
838 1 55 TRP HH2 1 63 ALA MB . . 4.110 3.883 3.726 4.112 0.002 2 0 "[ . 1 . 2]" 1
839 1 55 TRP HZ2 1 63 ALA MB . . 5.250 5.188 5.015 5.263 0.013 6 0 "[ . 1 . 2]" 1
840 1 55 TRP HZ3 1 59 CYS HB3 . . 5.150 4.964 4.903 5.087 . 0 0 "[ . 1 . 2]" 1
841 1 55 TRP HZ3 1 60 ARG HA . . 4.820 4.658 4.474 4.876 0.056 19 0 "[ . 1 . 2]" 1
842 1 55 TRP HZ3 1 63 ALA MB . . 3.420 2.727 2.358 3.083 . 0 0 "[ . 1 . 2]" 1
843 1 56 HIS H 1 56 HIS HB2 . . 4.020 2.176 2.139 2.256 . 0 0 "[ . 1 . 2]" 1
844 1 56 HIS H 1 56 HIS HD2 . . 5.230 4.674 4.409 4.827 . 0 0 "[ . 1 . 2]" 1
845 1 56 HIS H 1 57 PRO HD2 . . 4.890 4.698 4.691 4.715 . 0 0 "[ . 1 . 2]" 1
846 1 56 HIS H 1 58 ALA H . . 5.430 5.421 5.334 5.456 0.026 3 0 "[ . 1 . 2]" 1
847 1 56 HIS H 1 59 CYS H . . 4.680 4.454 4.274 4.547 . 0 0 "[ . 1 . 2]" 1
848 1 56 HIS H 1 59 CYS HB2 . . 3.900 2.723 2.587 2.892 . 0 0 "[ . 1 . 2]" 1
849 1 56 HIS H 1 59 CYS HB3 . . 4.420 4.051 3.913 4.315 . 0 0 "[ . 1 . 2]" 1
850 1 56 HIS HA 1 56 HIS HD2 . . 4.390 2.488 2.390 2.566 . 0 0 "[ . 1 . 2]" 1
851 1 56 HIS HA 1 57 PRO HD2 . . 3.710 2.561 2.535 2.581 . 0 0 "[ . 1 . 2]" 1
852 1 56 HIS HA 1 57 PRO HD3 . . 3.820 2.375 2.360 2.386 . 0 0 "[ . 1 . 2]" 1
853 1 56 HIS HA 1 57 PRO HG3 . . 4.950 4.576 4.558 4.591 . 0 0 "[ . 1 . 2]" 1
854 1 56 HIS HB2 1 57 PRO HD3 . . 4.940 4.639 4.621 4.655 . 0 0 "[ . 1 . 2]" 1
855 1 56 HIS HB2 1 58 ALA H . . 5.030 3.949 3.798 4.007 . 0 0 "[ . 1 . 2]" 1
856 1 56 HIS HB2 1 58 ALA MB . . 4.690 4.604 4.515 4.696 0.006 1 0 "[ . 1 . 2]" 1
857 1 56 HIS HB2 1 59 CYS H . . 3.620 2.828 2.722 2.900 . 0 0 "[ . 1 . 2]" 1
858 1 56 HIS HB2 1 59 CYS HA . . 5.260 4.484 4.441 4.526 . 0 0 "[ . 1 . 2]" 1
859 1 56 HIS HB2 1 59 CYS HB3 . . 3.990 3.441 3.418 3.586 . 0 0 "[ . 1 . 2]" 1
860 1 56 HIS HB3 1 56 HIS HE1 . . 5.210 5.145 5.121 5.164 . 0 0 "[ . 1 . 2]" 1
861 1 56 HIS HB3 1 57 PRO HD2 . . 3.870 1.972 1.958 1.985 . 0 0 "[ . 1 . 2]" 1
862 1 56 HIS HB3 1 58 ALA H . . 5.050 2.471 2.426 2.490 . 0 0 "[ . 1 . 2]" 1
863 1 56 HIS HB3 1 58 ALA MB . . 4.000 3.568 3.511 3.641 . 0 0 "[ . 1 . 2]" 1
864 1 56 HIS HB3 1 59 CYS H . . 3.720 2.387 2.352 2.497 . 0 0 "[ . 1 . 2]" 1
865 1 56 HIS HD2 1 57 PRO HD3 . . 4.950 2.537 2.420 2.764 . 0 0 "[ . 1 . 2]" 1
866 1 57 PRO HA 1 60 ARG H . . 4.820 4.665 4.279 4.767 . 0 0 "[ . 1 . 2]" 1
867 1 57 PRO HA 1 60 ARG QB . . 4.250 3.768 3.689 3.864 . 0 0 "[ . 1 . 2]" 1
868 1 57 PRO HB2 1 58 ALA MB . . 4.800 4.006 3.945 4.053 . 0 0 "[ . 1 . 2]" 1
869 1 57 PRO HG3 1 58 ALA H . . 4.970 3.842 3.811 3.917 . 0 0 "[ . 1 . 2]" 1
870 1 58 ALA H 1 59 CYS H . . 4.710 2.270 2.234 2.299 . 0 0 "[ . 1 . 2]" 1
871 1 58 ALA HA 1 61 GLN H . . 4.180 3.913 3.818 3.988 . 0 0 "[ . 1 . 2]" 1
872 1 58 ALA HA 1 61 GLN HB2 . . 3.450 3.347 3.161 3.481 0.031 19 0 "[ . 1 . 2]" 1
873 1 58 ALA HA 1 61 GLN HG3 . . 3.980 2.818 2.389 3.185 . 0 0 "[ . 1 . 2]" 1
874 1 58 ALA MB 1 59 CYS H . . 3.770 2.613 2.531 2.718 . 0 0 "[ . 1 . 2]" 1
875 1 58 ALA MB 1 59 CYS HB2 . . 5.210 4.706 4.658 4.752 . 0 0 "[ . 1 . 2]" 1
876 1 58 ALA MB 1 61 GLN HB2 . . 4.640 4.316 4.190 4.448 . 0 0 "[ . 1 . 2]" 1
877 1 58 ALA MB 1 61 GLN HG3 . . 4.650 4.338 4.037 4.600 . 0 0 "[ . 1 . 2]" 1
878 1 59 CYS H 1 59 CYS HB2 . . 3.630 2.504 2.451 2.537 . 0 0 "[ . 1 . 2]" 1
879 1 59 CYS H 1 59 CYS HB3 . . 3.980 3.589 3.588 3.595 . 0 0 "[ . 1 . 2]" 1
880 1 59 CYS H 1 60 ARG H . . 3.680 2.926 2.668 3.018 . 0 0 "[ . 1 . 2]" 1
881 1 59 CYS H 1 61 GLN H . . 4.660 4.384 4.163 4.531 . 0 0 "[ . 1 . 2]" 1
882 1 59 CYS HA 1 62 ALA H . . 3.780 3.603 3.344 3.726 . 0 0 "[ . 1 . 2]" 1
883 1 59 CYS HA 1 62 ALA MB . . 3.410 3.216 3.011 3.416 0.006 1 0 "[ . 1 . 2]" 1
884 1 59 CYS HA 1 63 ALA H . . 4.600 4.429 4.166 4.604 0.004 10 0 "[ . 1 . 2]" 1
885 1 59 CYS HB2 1 60 ARG H . . 4.160 2.171 2.113 2.433 . 0 0 "[ . 1 . 2]" 1
886 1 59 CYS HB2 1 63 ALA MB . . 5.500 4.917 4.456 5.218 . 0 0 "[ . 1 . 2]" 1
887 1 59 CYS HB3 1 60 ARG H . . 4.500 3.208 3.141 3.571 . 0 0 "[ . 1 . 2]" 1
888 1 59 CYS HB3 1 62 ALA MB . . 4.700 4.500 4.363 4.623 . 0 0 "[ . 1 . 2]" 1
889 1 60 ARG H 1 60 ARG QB . . 3.630 2.179 2.113 2.253 . 0 0 "[ . 1 . 2]" 1
890 1 60 ARG H 1 60 ARG HG2 . . 4.790 4.171 3.600 4.361 . 0 0 "[ . 1 . 2]" 1
891 1 60 ARG H 1 60 ARG HG3 . . 4.740 4.311 2.795 4.541 . 0 0 "[ . 1 . 2]" 1
892 1 60 ARG H 1 61 GLN H . . 3.650 3.088 2.904 3.154 . 0 0 "[ . 1 . 2]" 1
893 1 60 ARG H 1 61 GLN HB2 . . 5.330 5.081 4.892 5.206 . 0 0 "[ . 1 . 2]" 1
894 1 60 ARG HA 1 60 ARG QD . . 4.110 3.387 2.980 3.627 . 0 0 "[ . 1 . 2]" 1
895 1 60 ARG HA 1 63 ALA H . . 4.300 3.166 3.054 3.371 . 0 0 "[ . 1 . 2]" 1
896 1 60 ARG HA 1 63 ALA MB . . 3.480 2.596 2.053 2.984 . 0 0 "[ . 1 . 2]" 1
897 1 60 ARG QB 1 61 GLN H . . 3.710 2.339 2.177 3.421 . 0 0 "[ . 1 . 2]" 1
898 1 60 ARG QD 1 61 GLN H . . 3.980 3.323 2.673 3.689 . 0 0 "[ . 1 . 2]" 1
899 1 60 ARG QD 1 61 GLN HA . . 4.470 3.215 2.150 3.674 . 0 0 "[ . 1 . 2]" 1
900 1 60 ARG QD 1 61 GLN HG2 . . 5.400 3.845 2.375 4.540 . 0 0 "[ . 1 . 2]" 1
901 1 60 ARG QD 1 63 ALA H . . 5.500 4.881 4.440 5.172 . 0 0 "[ . 1 . 2]" 1
902 1 60 ARG HG2 1 61 GLN H . . 4.860 4.447 3.612 4.774 . 0 0 "[ . 1 . 2]" 1
903 1 61 GLN H 1 61 GLN HB2 . . 3.060 2.557 2.291 2.675 . 0 0 "[ . 1 . 2]" 1
904 1 61 GLN H 1 61 GLN HG2 . . 3.880 2.515 2.002 3.086 . 0 0 "[ . 1 . 2]" 1
905 1 61 GLN H 1 61 GLN HG3 . . 4.340 2.966 2.211 3.624 . 0 0 "[ . 1 . 2]" 1
906 1 61 GLN HA 1 61 GLN HG2 . . 3.570 2.555 2.222 3.068 . 0 0 "[ . 1 . 2]" 1
907 1 61 GLN HA 1 62 ALA HA . . 4.760 4.718 4.684 4.754 . 0 0 "[ . 1 . 2]" 1
908 1 61 GLN HA 1 63 ALA H . . 5.070 4.693 4.309 4.909 . 0 0 "[ . 1 . 2]" 1
909 1 61 GLN HA 1 64 ARG H . . 4.980 4.528 3.743 4.968 . 0 0 "[ . 1 . 2]" 1
910 1 61 GLN HA 1 64 ARG QB . . 4.040 3.573 2.498 3.899 . 0 0 "[ . 1 . 2]" 1
911 1 61 GLN HA 1 64 ARG HD2 . . 5.310 4.562 3.684 5.232 . 0 0 "[ . 1 . 2]" 1
912 1 61 GLN HA 1 64 ARG HD3 . . 5.500 5.138 4.483 5.470 . 0 0 "[ . 1 . 2]" 1
913 1 61 GLN HA 1 64 ARG HG2 . . 4.630 3.642 2.391 4.465 . 0 0 "[ . 1 . 2]" 1
914 1 61 GLN HA 1 64 ARG HG3 . . 4.510 2.709 2.255 4.217 . 0 0 "[ . 1 . 2]" 1
915 1 61 GLN HB2 1 62 ALA H . . 3.630 2.553 2.403 2.657 . 0 0 "[ . 1 . 2]" 1
916 1 61 GLN HB2 1 62 ALA HA . . 5.220 4.428 4.291 4.584 . 0 0 "[ . 1 . 2]" 1
917 1 61 GLN HB2 1 62 ALA MB . . 3.980 3.851 3.713 3.959 . 0 0 "[ . 1 . 2]" 1
918 1 61 GLN HB2 1 63 ALA H . . 5.050 4.954 4.763 5.052 0.002 1 0 "[ . 1 . 2]" 1
919 1 61 GLN HB3 1 62 ALA HA . . 5.500 4.310 4.100 4.433 . 0 0 "[ . 1 . 2]" 1
920 1 61 GLN HG2 1 62 ALA H . . 5.300 4.597 4.285 4.892 . 0 0 "[ . 1 . 2]" 1
921 1 61 GLN HG3 1 62 ALA H . . 5.500 4.602 4.203 4.918 . 0 0 "[ . 1 . 2]" 1
922 1 62 ALA H 1 62 ALA MB . . 3.040 2.159 2.046 2.273 . 0 0 "[ . 1 . 2]" 1
923 1 62 ALA MB 1 63 ALA H . . 3.330 2.578 2.369 2.850 . 0 0 "[ . 1 . 2]" 1
924 1 63 ALA H 1 63 ALA MB . . 3.140 2.143 2.027 2.261 . 0 0 "[ . 1 . 2]" 1
925 1 63 ALA H 1 64 ARG HG2 . . 5.500 5.315 4.755 5.803 0.303 9 0 "[ . 1 . 2]" 1
926 1 63 ALA HA 1 66 GLU HB2 . . 4.370 3.701 2.420 4.595 0.225 19 0 "[ . 1 . 2]" 1
927 1 63 ALA HA 1 66 GLU HG2 . . 5.500 4.779 3.624 5.500 . 0 0 "[ . 1 . 2]" 1
928 1 63 ALA HA 1 66 GLU HG3 . . 5.500 4.376 2.669 5.449 . 0 0 "[ . 1 . 2]" 1
929 1 63 ALA MB 1 64 ARG H . . 3.880 3.499 2.626 3.705 . 0 0 "[ . 1 . 2]" 1
930 1 64 ARG H 1 64 ARG QB . . 3.700 2.269 2.063 2.649 . 0 0 "[ . 1 . 2]" 1
931 1 64 ARG H 1 64 ARG HG2 . . 4.580 3.593 2.876 4.010 . 0 0 "[ . 1 . 2]" 1
932 1 64 ARG H 1 64 ARG HG3 . . 4.010 3.459 2.552 3.935 . 0 0 "[ . 1 . 2]" 1
933 1 64 ARG H 1 65 THR MG . . 4.950 4.513 3.906 4.915 . 0 0 "[ . 1 . 2]" 1
934 1 64 ARG HA 1 64 ARG HD2 . . 5.500 4.289 3.497 5.066 . 0 0 "[ . 1 . 2]" 1
935 1 64 ARG HA 1 64 ARG HD3 . . 3.870 3.632 2.895 3.913 0.043 16 0 "[ . 1 . 2]" 1
936 1 64 ARG HA 1 64 ARG HG2 . . 4.070 2.424 2.026 4.170 0.100 16 0 "[ . 1 . 2]" 1
937 1 64 ARG HA 1 64 ARG HG3 . . 3.610 3.374 3.129 3.563 . 0 0 "[ . 1 . 2]" 1
938 1 64 ARG HA 1 65 THR MG . . 5.310 4.450 3.921 5.000 . 0 0 "[ . 1 . 2]" 1
939 1 64 ARG QB 1 65 THR H . . 4.720 2.649 2.297 3.802 . 0 0 "[ . 1 . 2]" 1
940 1 64 ARG QB 1 65 THR MG . . 4.340 2.804 2.224 3.802 . 0 0 "[ . 1 . 2]" 1
941 1 64 ARG HD2 1 65 THR MG . . 5.410 3.945 1.886 5.407 . 0 0 "[ . 1 . 2]" 1
942 1 64 ARG HD3 1 65 THR MG . . 5.500 4.189 2.553 5.307 . 0 0 "[ . 1 . 2]" 1
943 1 64 ARG HG3 1 65 THR H . . 5.260 4.542 2.780 5.148 . 0 0 "[ . 1 . 2]" 1
944 1 65 THR H 1 65 THR MG . . 4.490 2.735 2.125 3.287 . 0 0 "[ . 1 . 2]" 1
945 1 65 THR H 1 66 GLU H . . 4.690 3.267 2.011 4.464 . 0 0 "[ . 1 . 2]" 1
946 1 65 THR HA 1 65 THR MG . . 3.210 2.496 2.118 3.207 . 0 0 "[ . 1 . 2]" 1
947 1 65 THR MG 1 66 GLU H . . 4.780 4.080 3.654 4.384 . 0 0 "[ . 1 . 2]" 1
948 1 65 THR MG 1 66 GLU HA . . 5.500 5.192 3.846 5.557 0.057 14 0 "[ . 1 . 2]" 1
949 1 66 GLU H 1 66 GLU HB2 . . 3.870 2.762 2.346 3.143 . 0 0 "[ . 1 . 2]" 1
950 1 66 GLU H 1 66 GLU HG2 . . 4.950 4.436 3.255 5.160 0.210 2 0 "[ . 1 . 2]" 1
951 1 66 GLU H 1 66 GLU HG3 . . 5.340 4.349 3.044 5.184 . 0 0 "[ . 1 . 2]" 1
952 1 66 GLU HA 1 66 GLU HG2 . . 3.780 2.840 2.068 3.829 0.049 13 0 "[ . 1 . 2]" 1
953 1 66 GLU HA 1 66 GLU HG3 . . 3.860 2.995 2.037 3.713 . 0 0 "[ . 1 . 2]" 1
954 1 66 GLU HA 1 67 ASP HB2 . . 4.580 4.397 4.017 4.877 0.297 9 0 "[ . 1 . 2]" 1
955 1 66 GLU HA 1 67 ASP HB3 . . 4.940 4.721 4.300 4.971 0.031 5 0 "[ . 1 . 2]" 1
956 1 66 GLU HA 1 68 SER H . . 4.760 4.339 3.872 4.760 . 14 0 "[ . 1 . 2]" 1
957 1 66 GLU HB2 1 67 ASP H . . 4.850 4.120 2.728 4.668 . 0 0 "[ . 1 . 2]" 1
958 1 66 GLU HB3 1 67 ASP H . . 5.300 3.564 2.477 4.281 . 0 0 "[ . 1 . 2]" 1
959 1 67 ASP H 1 67 ASP HB3 . . 3.890 3.202 2.262 3.826 . 0 0 "[ . 1 . 2]" 1
960 1 67 ASP HB2 1 68 SER H . . 4.840 4.159 3.474 4.658 . 0 0 "[ . 1 . 2]" 1
961 1 67 ASP HB3 1 68 SER H . . 4.800 3.378 2.078 4.401 . 0 0 "[ . 1 . 2]" 1
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