NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405664 |
1x6b   |
10241 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x6b
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 1156
_Distance_constraint_stats_list.Viol_count 1880
_Distance_constraint_stats_list.Viol_total 1816.164
_Distance_constraint_stats_list.Viol_max 0.937
_Distance_constraint_stats_list.Viol_rms 0.0312
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0483
_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 8 TRP 0.417 0.417 7 0 "[ . 1 . 2]"
1 9 GLN 3.943 0.417 14 0 "[ . 1 . 2]"
1 10 GLY 0.085 0.085 18 0 "[ . 1 . 2]"
1 11 LEU 0.417 0.417 7 0 "[ . 1 . 2]"
1 14 LYS 2.836 0.602 12 4 "[ . 1*+ .- * 2]"
1 15 GLY 0.083 0.016 2 0 "[ . 1 . 2]"
1 16 ASP 1.222 0.150 20 0 "[ . 1 . 2]"
1 17 LEU 1.439 0.150 20 0 "[ . 1 . 2]"
1 18 PRO 1.053 0.513 15 1 "[ . 1 + 2]"
1 19 GLN 0.843 0.513 15 1 "[ . 1 + 2]"
1 20 VAL 1.292 0.095 19 0 "[ . 1 . 2]"
1 21 GLU 1.860 0.093 19 0 "[ . 1 . 2]"
1 22 ILE 3.313 0.087 18 0 "[ . 1 . 2]"
1 23 THR 5.236 0.524 12 1 "[ . 1 + . 2]"
1 24 LYS 4.510 0.407 5 0 "[ . 1 . 2]"
1 25 ALA 1.988 0.122 9 0 "[ . 1 . 2]"
1 26 PHE 1.287 0.073 16 0 "[ . 1 . 2]"
1 27 PHE 0.254 0.030 19 0 "[ . 1 . 2]"
1 28 ALA 0.244 0.025 18 0 "[ . 1 . 2]"
1 29 LYS 0.294 0.123 13 0 "[ . 1 . 2]"
1 30 GLN 0.405 0.123 13 0 "[ . 1 . 2]"
1 31 ALA 8.288 0.937 6 9 "[* **.+ 1 *-*. **2]"
1 32 ASP 11.728 0.937 6 9 "[* **.+ 1 *-*. **2]"
1 33 GLU 0.430 0.093 13 0 "[ . 1 . 2]"
1 34 VAL 2.516 0.438 20 0 "[ . 1 . 2]"
1 35 THR 0.960 0.140 19 0 "[ . 1 . 2]"
1 36 LEU 5.074 0.521 17 1 "[ . 1 . + 2]"
1 37 GLN 0.311 0.035 19 0 "[ . 1 . 2]"
1 38 GLN 2.334 0.092 17 0 "[ . 1 . 2]"
1 39 ALA 3.981 0.093 19 0 "[ . 1 . 2]"
1 40 ASP 0.723 0.132 6 0 "[ . 1 . 2]"
1 41 VAL 0.700 0.082 18 0 "[ . 1 . 2]"
1 42 VAL 1.851 0.100 18 0 "[ . 1 . 2]"
1 43 LEU 4.576 0.133 17 0 "[ . 1 . 2]"
1 44 VAL 4.643 0.209 17 0 "[ . 1 . 2]"
1 45 LEU 3.825 0.209 17 0 "[ . 1 . 2]"
1 46 GLN 0.788 0.129 2 0 "[ . 1 . 2]"
1 47 GLN 1.187 0.193 3 0 "[ . 1 . 2]"
1 48 GLU 2.511 0.539 19 2 "[ . 1 - . +2]"
1 49 ASP 4.192 0.539 19 2 "[ . 1 - . +2]"
1 50 GLY 2.984 0.466 13 0 "[ . 1 . 2]"
1 51 TRP 3.230 0.190 16 0 "[ . 1 . 2]"
1 52 LEU 5.321 0.193 3 0 "[ . 1 . 2]"
1 53 TYR 0.596 0.129 2 0 "[ . 1 . 2]"
1 54 GLY 0.238 0.041 17 0 "[ . 1 . 2]"
1 55 GLU 4.812 0.266 11 0 "[ . 1 . 2]"
1 56 ARG 7.435 0.521 17 1 "[ . 1 . + 2]"
1 57 LEU 2.203 0.224 20 0 "[ . 1 . 2]"
1 58 ARG 3.128 0.701 9 1 "[ . +1 . 2]"
1 59 ASP 0.701 0.701 9 1 "[ . +1 . 2]"
1 60 GLY 1.005 0.193 20 0 "[ . 1 . 2]"
1 61 GLU 0.594 0.130 17 0 "[ . 1 . 2]"
1 62 THR 3.805 0.266 11 0 "[ . 1 . 2]"
1 63 GLY 0.400 0.034 19 0 "[ . 1 . 2]"
1 64 TRP 3.850 0.375 18 0 "[ . 1 . 2]"
1 65 PHE 3.159 0.095 19 0 "[ . 1 . 2]"
1 66 PRO 1.746 0.354 16 0 "[ . 1 . 2]"
1 67 GLU 8.126 0.190 16 0 "[ . 1 . 2]"
1 68 ASP 1.859 0.083 16 0 "[ . 1 . 2]"
1 69 PHE 1.347 0.354 16 0 "[ . 1 . 2]"
1 70 ALA 1.242 0.334 12 0 "[ . 1 . 2]"
1 71 ARG 7.028 0.919 7 3 "[ * + 1 - . 2]"
1 72 PHE 3.162 0.919 7 3 "[ * + 1 - . 2]"
1 73 ILE 1.216 0.086 15 0 "[ . 1 . 2]"
1 74 SER 0.527 0.086 15 0 "[ . 1 . 2]"
1 75 GLY 0.546 0.410 6 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 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 8 TRP H 1 8 TRP QB . . 3.920 2.390 2.012 3.195 . 0 0 "[ . 1 . 2]" 1
2 1 8 TRP HA 1 8 TRP HD1 . . 4.010 3.617 3.327 4.005 . 0 0 "[ . 1 . 2]" 1
3 1 8 TRP HA 1 8 TRP HE3 . . 3.980 3.599 2.990 3.966 . 0 0 "[ . 1 . 2]" 1
4 1 8 TRP QB 1 8 TRP HD1 . . 3.300 2.672 2.565 2.867 . 0 0 "[ . 1 . 2]" 1
5 1 8 TRP QB 1 8 TRP HE3 . . 3.320 2.523 2.322 2.757 . 0 0 "[ . 1 . 2]" 1
6 1 8 TRP QB 1 11 LEU HB2 . . 4.680 3.896 2.390 5.097 0.417 7 0 "[ . 1 . 2]" 1
7 1 8 TRP QB 1 11 LEU QD . . 4.100 2.673 1.847 3.729 . 0 0 "[ . 1 . 2]" 1
8 1 8 TRP QB 1 11 LEU HG . . 4.490 4.082 3.083 4.460 . 0 0 "[ . 1 . 2]" 1
9 1 9 GLN HA 1 9 GLN HG2 . . 3.730 2.700 1.998 3.733 0.003 4 0 "[ . 1 . 2]" 1
10 1 9 GLN HA 1 9 GLN HG3 . . 4.120 3.093 2.400 3.834 . 0 0 "[ . 1 . 2]" 1
11 1 9 GLN HB2 1 9 GLN HG2 . . 2.640 2.815 2.557 3.057 0.417 14 0 "[ . 1 . 2]" 1
12 1 9 GLN HE21 1 10 GLY H . . 4.520 3.969 2.792 4.605 0.085 18 0 "[ . 1 . 2]" 1
13 1 11 LEU HA 1 11 LEU QD . . 3.220 2.379 1.875 3.103 . 0 0 "[ . 1 . 2]" 1
14 1 14 LYS HA 1 14 LYS QD . . 3.940 3.541 1.988 3.949 0.009 17 0 "[ . 1 . 2]" 1
15 1 14 LYS HA 1 14 LYS HG2 . . 4.160 3.473 2.811 4.162 0.002 4 0 "[ . 1 . 2]" 1
16 1 14 LYS HA 1 14 LYS HG3 . . 3.630 3.025 2.019 4.232 0.602 12 4 "[ . 1*+ .- * 2]" 1
17 1 14 LYS HA 1 17 LEU QD . . 3.570 3.015 1.978 3.644 0.074 19 0 "[ . 1 . 2]" 1
18 1 14 LYS HA 1 17 LEU HG . . 4.250 3.774 2.787 4.273 0.023 19 0 "[ . 1 . 2]" 1
19 1 14 LYS QB 1 15 GLY H . . 5.500 3.004 2.111 4.025 . 0 0 "[ . 1 . 2]" 1
20 1 14 LYS QB 1 15 GLY QA . . 4.360 4.034 3.529 4.209 . 0 0 "[ . 1 . 2]" 1
21 1 14 LYS QB 1 17 LEU QD . . 4.300 3.088 1.715 4.043 . 0 0 "[ . 1 . 2]" 1
22 1 14 LYS QD 1 14 LYS HG2 . . 2.740 2.433 2.180 2.568 . 0 0 "[ . 1 . 2]" 1
23 1 14 LYS QE 1 14 LYS HG2 . . 3.620 2.386 1.983 3.222 . 0 0 "[ . 1 . 2]" 1
24 1 14 LYS QE 1 14 LYS HG3 . . 3.630 2.731 2.056 3.363 . 0 0 "[ . 1 . 2]" 1
25 1 15 GLY QA 1 16 ASP HB2 . . 4.500 4.275 3.982 4.516 0.016 2 0 "[ . 1 . 2]" 1
26 1 15 GLY QA 1 16 ASP HB3 . . 5.430 5.229 4.966 5.383 . 0 0 "[ . 1 . 2]" 1
27 1 15 GLY QA 1 17 LEU H . . 4.380 3.980 3.411 4.393 0.013 17 0 "[ . 1 . 2]" 1
28 1 16 ASP H 1 16 ASP HB2 . . 3.970 2.671 2.003 3.704 . 0 0 "[ . 1 . 2]" 1
29 1 16 ASP H 1 17 LEU H . . 3.520 3.016 2.220 3.523 0.003 16 0 "[ . 1 . 2]" 1
30 1 16 ASP HA 1 17 LEU H . . 3.460 2.798 2.471 3.610 0.150 20 0 "[ . 1 . 2]" 1
31 1 16 ASP HB2 1 17 LEU H . . 4.370 4.247 3.174 4.437 0.067 16 0 "[ . 1 . 2]" 1
32 1 16 ASP HB3 1 17 LEU H . . 4.340 4.240 2.870 4.421 0.081 17 0 "[ . 1 . 2]" 1
33 1 17 LEU H 1 17 LEU QB . . 3.030 2.261 2.093 3.113 0.083 20 0 "[ . 1 . 2]" 1
34 1 17 LEU H 1 17 LEU QD . . 3.980 3.232 1.910 3.607 . 0 0 "[ . 1 . 2]" 1
35 1 17 LEU H 1 17 LEU HG . . 3.480 2.935 2.504 3.531 0.051 17 0 "[ . 1 . 2]" 1
36 1 17 LEU H 1 43 LEU MD1 . . 4.410 3.422 2.754 4.295 . 0 0 "[ . 1 . 2]" 1
37 1 17 LEU HA 1 17 LEU QD . . 2.830 1.984 1.899 2.196 . 0 0 "[ . 1 . 2]" 1
38 1 17 LEU HA 1 17 LEU HG . . 3.860 2.922 2.517 3.670 . 0 0 "[ . 1 . 2]" 1
39 1 17 LEU HA 1 18 PRO HD2 . . 2.950 2.818 2.655 2.898 . 0 0 "[ . 1 . 2]" 1
40 1 17 LEU HA 1 18 PRO HD3 . . 2.880 2.056 1.964 2.108 . 0 0 "[ . 1 . 2]" 1
41 1 17 LEU QB 1 17 LEU QD . . 2.680 1.949 1.895 2.066 . 0 0 "[ . 1 . 2]" 1
42 1 17 LEU QB 1 18 PRO HD2 . . 3.250 2.044 1.966 2.404 . 0 0 "[ . 1 . 2]" 1
43 1 17 LEU QB 1 18 PRO HD3 . . 3.460 3.048 2.983 3.340 . 0 0 "[ . 1 . 2]" 1
44 1 17 LEU QB 1 43 LEU MD1 . . 2.940 2.324 1.932 2.941 0.001 7 0 "[ . 1 . 2]" 1
45 1 17 LEU QB 1 44 VAL H . . 4.190 3.829 3.485 4.106 . 0 0 "[ . 1 . 2]" 1
46 1 17 LEU QB 1 44 VAL HB . . 4.510 3.551 2.963 3.909 . 0 0 "[ . 1 . 2]" 1
47 1 17 LEU QD 1 18 PRO HD2 . . 3.650 2.046 1.890 2.185 . 0 0 "[ . 1 . 2]" 1
48 1 17 LEU QD 1 18 PRO HD3 . . 3.250 2.095 1.938 2.488 . 0 0 "[ . 1 . 2]" 1
49 1 17 LEU QD 1 18 PRO HG3 . . 4.500 3.731 3.515 3.937 . 0 0 "[ . 1 . 2]" 1
50 1 17 LEU QD 1 45 LEU HA . . 3.620 2.366 1.960 3.067 . 0 0 "[ . 1 . 2]" 1
51 1 17 LEU HG 1 18 PRO HD3 . . 5.140 4.389 3.856 4.961 . 0 0 "[ . 1 . 2]" 1
52 1 18 PRO HA 1 19 GLN H . . 3.000 2.352 2.161 3.513 0.513 15 1 "[ . 1 + 2]" 1
53 1 18 PRO HA 1 19 GLN HB2 . . 4.640 4.317 4.057 4.565 . 0 0 "[ . 1 . 2]" 1
54 1 18 PRO HB2 1 19 GLN H . . 3.930 3.148 2.198 3.643 . 0 0 "[ . 1 . 2]" 1
55 1 18 PRO HB2 1 44 VAL MG2 . . 4.340 3.099 2.865 4.037 . 0 0 "[ . 1 . 2]" 1
56 1 18 PRO HB2 1 72 PHE QD . . 3.900 3.371 2.022 3.700 . 0 0 "[ . 1 . 2]" 1
57 1 18 PRO HB2 1 72 PHE QE . . 3.850 2.498 2.045 3.025 . 0 0 "[ . 1 . 2]" 1
58 1 18 PRO HB2 1 75 GLY QA . . 4.350 4.242 3.949 4.760 0.410 6 0 "[ . 1 . 2]" 1
59 1 18 PRO HB3 1 19 GLN H . . 4.040 3.676 3.178 4.138 0.098 15 0 "[ . 1 . 2]" 1
60 1 18 PRO HB3 1 72 PHE QD . . 3.940 3.728 3.061 3.945 0.005 19 0 "[ . 1 . 2]" 1
61 1 18 PRO HB3 1 72 PHE QE . . 3.790 3.107 2.323 3.777 . 0 0 "[ . 1 . 2]" 1
62 1 18 PRO HD2 1 44 VAL H . . 4.490 4.116 3.941 4.352 . 0 0 "[ . 1 . 2]" 1
63 1 18 PRO HD2 1 44 VAL MG1 . . 4.060 3.281 2.673 3.849 . 0 0 "[ . 1 . 2]" 1
64 1 18 PRO HG2 1 44 VAL H . . 4.760 4.423 4.144 4.772 0.012 17 0 "[ . 1 . 2]" 1
65 1 18 PRO HG2 1 44 VAL MG1 . . 3.790 2.287 1.977 3.208 . 0 0 "[ . 1 . 2]" 1
66 1 18 PRO HG2 1 44 VAL MG2 . . 4.020 3.131 2.955 3.419 . 0 0 "[ . 1 . 2]" 1
67 1 18 PRO HG2 1 72 PHE QE . . 4.340 3.459 2.375 3.871 . 0 0 "[ . 1 . 2]" 1
68 1 18 PRO HG3 1 44 VAL MG1 . . 4.180 3.576 3.322 4.006 . 0 0 "[ . 1 . 2]" 1
69 1 18 PRO HG3 1 72 PHE QE . . 4.170 3.600 2.814 4.125 . 0 0 "[ . 1 . 2]" 1
70 1 19 GLN H 1 19 GLN HB2 . . 3.750 2.673 2.474 3.232 . 0 0 "[ . 1 . 2]" 1
71 1 19 GLN H 1 19 GLN HB3 . . 3.980 3.734 3.471 4.065 0.085 15 0 "[ . 1 . 2]" 1
72 1 19 GLN H 1 19 GLN HE21 . . 5.500 5.247 4.458 5.504 0.004 10 0 "[ . 1 . 2]" 1
73 1 19 GLN H 1 19 GLN HG2 . . 4.690 4.174 3.699 4.692 0.002 12 0 "[ . 1 . 2]" 1
74 1 19 GLN H 1 19 GLN HG3 . . 4.120 3.378 2.831 3.861 . 0 0 "[ . 1 . 2]" 1
75 1 19 GLN H 1 20 VAL MG1 . . 4.860 3.776 3.452 4.029 . 0 0 "[ . 1 . 2]" 1
76 1 19 GLN H 1 44 VAL MG2 . . 4.800 3.990 2.679 4.289 . 0 0 "[ . 1 . 2]" 1
77 1 19 GLN H 1 72 PHE QD . . 5.250 4.410 3.688 4.950 . 0 0 "[ . 1 . 2]" 1
78 1 19 GLN HA 1 19 GLN HG2 . . 3.390 2.431 2.185 2.898 . 0 0 "[ . 1 . 2]" 1
79 1 19 GLN HA 1 19 GLN HG3 . . 3.780 2.887 2.402 3.461 . 0 0 "[ . 1 . 2]" 1
80 1 19 GLN HA 1 20 VAL H . . 2.860 2.312 2.258 2.369 . 0 0 "[ . 1 . 2]" 1
81 1 19 GLN HA 1 20 VAL MG1 . . 4.460 3.503 3.266 3.688 . 0 0 "[ . 1 . 2]" 1
82 1 19 GLN HA 1 20 VAL MG2 . . 4.160 3.826 3.731 4.013 . 0 0 "[ . 1 . 2]" 1
83 1 19 GLN HA 1 43 LEU HA . . 3.320 2.965 2.713 3.220 . 0 0 "[ . 1 . 2]" 1
84 1 19 GLN HA 1 44 VAL H . . 3.740 2.721 2.531 2.949 . 0 0 "[ . 1 . 2]" 1
85 1 19 GLN HA 1 44 VAL MG2 . . 3.510 2.637 2.381 2.821 . 0 0 "[ . 1 . 2]" 1
86 1 19 GLN HB2 1 20 VAL H . . 4.200 4.147 3.910 4.226 0.026 4 0 "[ . 1 . 2]" 1
87 1 19 GLN HB3 1 20 VAL H . . 3.930 3.012 2.868 3.151 . 0 0 "[ . 1 . 2]" 1
88 1 19 GLN HB3 1 43 LEU HA . . 4.460 4.151 3.716 4.475 0.015 17 0 "[ . 1 . 2]" 1
89 1 19 GLN HE21 1 57 LEU QD . . 4.460 3.571 2.188 4.336 . 0 0 "[ . 1 . 2]" 1
90 1 19 GLN HE22 1 57 LEU QD . . 4.310 3.464 1.912 4.112 . 0 0 "[ . 1 . 2]" 1
91 1 19 GLN HG2 1 20 VAL H . . 4.550 3.932 3.154 4.478 . 0 0 "[ . 1 . 2]" 1
92 1 19 GLN HG2 1 43 LEU HA . . 3.880 2.125 1.998 2.454 . 0 0 "[ . 1 . 2]" 1
93 1 19 GLN HG2 1 43 LEU MD1 . . 3.470 2.342 1.943 3.268 . 0 0 "[ . 1 . 2]" 1
94 1 19 GLN HG3 1 20 VAL H . . 5.230 4.842 4.203 5.252 0.022 17 0 "[ . 1 . 2]" 1
95 1 19 GLN HG3 1 43 LEU HA . . 4.150 3.186 2.014 4.020 . 0 0 "[ . 1 . 2]" 1
96 1 19 GLN HG3 1 43 LEU MD1 . . 3.670 2.254 1.864 2.792 . 0 0 "[ . 1 . 2]" 1
97 1 20 VAL H 1 20 VAL MG1 . . 3.800 2.924 2.733 3.046 . 0 0 "[ . 1 . 2]" 1
98 1 20 VAL H 1 20 VAL MG2 . . 3.080 2.367 2.208 2.500 . 0 0 "[ . 1 . 2]" 1
99 1 20 VAL H 1 42 VAL HB . . 4.400 3.741 3.544 3.876 . 0 0 "[ . 1 . 2]" 1
100 1 20 VAL H 1 43 LEU HA . . 4.490 4.334 4.128 4.504 0.014 17 0 "[ . 1 . 2]" 1
101 1 20 VAL H 1 44 VAL MG2 . . 3.900 3.300 3.052 3.507 . 0 0 "[ . 1 . 2]" 1
102 1 20 VAL HA 1 20 VAL MG1 . . 3.150 2.330 2.273 2.453 . 0 0 "[ . 1 . 2]" 1
103 1 20 VAL HA 1 21 GLU H . . 3.120 2.265 2.228 2.338 . 0 0 "[ . 1 . 2]" 1
104 1 20 VAL HA 1 21 GLU QB . . 4.480 4.019 3.985 4.033 . 0 0 "[ . 1 . 2]" 1
105 1 20 VAL HA 1 70 ALA MB . . 4.100 4.049 3.915 4.130 0.030 16 0 "[ . 1 . 2]" 1
106 1 20 VAL HA 1 72 PHE HA . . 3.500 2.814 2.460 3.036 . 0 0 "[ . 1 . 2]" 1
107 1 20 VAL HA 1 73 ILE H . . 3.650 2.521 2.127 3.051 . 0 0 "[ . 1 . 2]" 1
108 1 20 VAL HA 1 73 ILE MD . . 4.070 3.581 2.997 4.073 0.003 5 0 "[ . 1 . 2]" 1
109 1 20 VAL HA 1 73 ILE HG12 . . 3.990 3.996 3.982 4.012 0.022 13 0 "[ . 1 . 2]" 1
110 1 20 VAL HA 1 73 ILE HG13 . . 4.020 2.412 2.279 2.698 . 0 0 "[ . 1 . 2]" 1
111 1 20 VAL HB 1 21 GLU H . . 3.260 3.048 2.846 3.193 . 0 0 "[ . 1 . 2]" 1
112 1 20 VAL HB 1 22 ILE MD . . 4.540 4.184 3.808 4.462 . 0 0 "[ . 1 . 2]" 1
113 1 20 VAL HB 1 70 ALA HA . . 4.250 4.005 3.842 4.165 . 0 0 "[ . 1 . 2]" 1
114 1 20 VAL HB 1 70 ALA MB . . 2.810 2.078 1.967 2.214 . 0 0 "[ . 1 . 2]" 1
115 1 20 VAL HB 1 71 ARG H . . 3.650 2.598 2.384 2.842 . 0 0 "[ . 1 . 2]" 1
116 1 20 VAL HB 1 72 PHE HA . . 4.410 3.337 3.122 3.651 . 0 0 "[ . 1 . 2]" 1
117 1 20 VAL HB 1 73 ILE H . . 5.240 4.368 4.192 4.799 . 0 0 "[ . 1 . 2]" 1
118 1 20 VAL MG1 1 21 GLU H . . 4.220 4.033 3.974 4.121 . 0 0 "[ . 1 . 2]" 1
119 1 20 VAL MG1 1 44 VAL MG1 . . 4.520 4.182 3.895 4.360 . 0 0 "[ . 1 . 2]" 1
120 1 20 VAL MG1 1 44 VAL MG2 . . 2.850 2.326 2.014 2.557 . 0 0 "[ . 1 . 2]" 1
121 1 20 VAL MG1 1 65 PHE QE . . 4.660 3.147 2.961 3.224 . 0 0 "[ . 1 . 2]" 1
122 1 20 VAL MG1 1 70 ALA MB . . 3.010 3.030 3.000 3.064 0.054 17 0 "[ . 1 . 2]" 1
123 1 20 VAL MG1 1 71 ARG H . . 4.350 4.063 3.833 4.320 . 0 0 "[ . 1 . 2]" 1
124 1 20 VAL MG1 1 72 PHE H . . 4.470 3.365 2.933 3.990 . 0 0 "[ . 1 . 2]" 1
125 1 20 VAL MG1 1 72 PHE HA . . 2.990 1.956 1.779 2.280 . 0 0 "[ . 1 . 2]" 1
126 1 20 VAL MG1 1 72 PHE QB . . 4.120 3.511 3.296 3.817 . 0 0 "[ . 1 . 2]" 1
127 1 20 VAL MG1 1 72 PHE QD . . 3.660 2.890 2.692 3.113 . 0 0 "[ . 1 . 2]" 1
128 1 20 VAL MG1 1 72 PHE QE . . 3.880 3.260 3.099 3.440 . 0 0 "[ . 1 . 2]" 1
129 1 20 VAL MG1 1 72 PHE HZ . . 4.730 3.870 3.718 4.076 . 0 0 "[ . 1 . 2]" 1
130 1 20 VAL MG1 1 73 ILE H . . 4.030 3.103 2.841 3.620 . 0 0 "[ . 1 . 2]" 1
131 1 20 VAL MG2 1 21 GLU H . . 4.130 3.751 3.429 3.919 . 0 0 "[ . 1 . 2]" 1
132 1 20 VAL MG2 1 22 ILE H . . 5.230 4.189 3.788 4.406 . 0 0 "[ . 1 . 2]" 1
133 1 20 VAL MG2 1 22 ILE MD . . 3.020 2.652 2.223 2.949 . 0 0 "[ . 1 . 2]" 1
134 1 20 VAL MG2 1 42 VAL H . . 3.890 3.457 3.151 3.625 . 0 0 "[ . 1 . 2]" 1
135 1 20 VAL MG2 1 42 VAL HB . . 2.880 2.743 2.442 2.882 0.002 20 0 "[ . 1 . 2]" 1
136 1 20 VAL MG2 1 65 PHE QD . . 3.320 3.341 3.227 3.415 0.095 19 0 "[ . 1 . 2]" 1
137 1 20 VAL MG2 1 65 PHE QE . . 3.260 2.013 1.953 2.367 . 0 0 "[ . 1 . 2]" 1
138 1 20 VAL MG2 1 70 ALA H . . 5.070 4.985 4.897 5.097 0.027 16 0 "[ . 1 . 2]" 1
139 1 20 VAL MG2 1 70 ALA HA . . 4.590 3.929 3.709 4.190 . 0 0 "[ . 1 . 2]" 1
140 1 20 VAL MG2 1 70 ALA MB . . 2.720 1.818 1.695 1.979 . 0 0 "[ . 1 . 2]" 1
141 1 20 VAL MG2 1 71 ARG H . . 4.300 3.716 3.440 3.948 . 0 0 "[ . 1 . 2]" 1
142 1 21 GLU H 1 21 GLU QB . . 3.340 2.313 2.218 2.401 . 0 0 "[ . 1 . 2]" 1
143 1 21 GLU H 1 21 GLU QG . . 3.950 3.957 3.807 4.006 0.056 15 0 "[ . 1 . 2]" 1
144 1 21 GLU H 1 70 ALA MB . . 4.050 3.822 3.557 4.040 . 0 0 "[ . 1 . 2]" 1
145 1 21 GLU H 1 71 ARG H . . 3.890 2.475 2.068 2.750 . 0 0 "[ . 1 . 2]" 1
146 1 21 GLU H 1 71 ARG QB . . 4.500 3.517 2.736 4.404 . 0 0 "[ . 1 . 2]" 1
147 1 21 GLU H 1 72 PHE HA . . 4.530 4.384 4.053 4.536 0.006 13 0 "[ . 1 . 2]" 1
148 1 21 GLU H 1 73 ILE H . . 4.830 3.867 3.586 4.827 . 0 0 "[ . 1 . 2]" 1
149 1 21 GLU H 1 73 ILE MD . . 4.260 3.378 3.019 3.711 . 0 0 "[ . 1 . 2]" 1
150 1 21 GLU H 1 73 ILE HG12 . . 3.980 3.530 3.320 3.968 . 0 0 "[ . 1 . 2]" 1
151 1 21 GLU H 1 73 ILE HG13 . . 4.360 2.737 2.471 3.118 . 0 0 "[ . 1 . 2]" 1
152 1 21 GLU HA 1 21 GLU QG . . 3.400 2.407 2.309 2.640 . 0 0 "[ . 1 . 2]" 1
153 1 21 GLU HA 1 22 ILE H . . 2.940 2.204 2.201 2.211 . 0 0 "[ . 1 . 2]" 1
154 1 21 GLU HA 1 22 ILE HB . . 4.640 4.648 4.592 4.678 0.038 9 0 "[ . 1 . 2]" 1
155 1 21 GLU HA 1 22 ILE MD . . 4.660 4.135 3.526 4.617 . 0 0 "[ . 1 . 2]" 1
156 1 21 GLU HA 1 22 ILE HG12 . . 4.400 3.692 3.545 3.922 . 0 0 "[ . 1 . 2]" 1
157 1 21 GLU HA 1 41 VAL HA . . 3.380 2.517 2.293 2.916 . 0 0 "[ . 1 . 2]" 1
158 1 21 GLU HA 1 41 VAL MG1 . . 4.180 3.975 3.699 4.186 0.006 1 0 "[ . 1 . 2]" 1
159 1 21 GLU HA 1 41 VAL MG2 . . 3.590 3.334 2.901 3.595 0.005 11 0 "[ . 1 . 2]" 1
160 1 21 GLU HA 1 42 VAL H . . 4.410 3.838 3.579 4.154 . 0 0 "[ . 1 . 2]" 1
161 1 21 GLU QB 1 21 GLU QG . . 2.400 2.131 2.122 2.135 . 0 0 "[ . 1 . 2]" 1
162 1 21 GLU QB 1 22 ILE H . . 3.890 3.900 3.853 3.934 0.044 7 0 "[ . 1 . 2]" 1
163 1 21 GLU QB 1 39 ALA HA . . 4.270 4.307 4.262 4.363 0.093 19 0 "[ . 1 . 2]" 1
164 1 21 GLU QG 1 22 ILE H . . 3.660 2.926 2.782 3.016 . 0 0 "[ . 1 . 2]" 1
165 1 21 GLU QG 1 23 THR HA . . 4.640 3.844 3.650 4.076 . 0 0 "[ . 1 . 2]" 1
166 1 21 GLU QG 1 23 THR MG . . 3.890 3.850 3.433 3.907 0.017 13 0 "[ . 1 . 2]" 1
167 1 21 GLU QG 1 39 ALA H . . 4.150 3.512 3.423 3.604 . 0 0 "[ . 1 . 2]" 1
168 1 21 GLU QG 1 39 ALA HA . . 3.200 2.183 2.135 2.237 . 0 0 "[ . 1 . 2]" 1
169 1 21 GLU QG 1 39 ALA MB . . 4.030 3.434 3.375 3.499 . 0 0 "[ . 1 . 2]" 1
170 1 21 GLU QG 1 40 ASP H . . 4.370 3.020 2.926 3.194 . 0 0 "[ . 1 . 2]" 1
171 1 21 GLU QG 1 41 VAL MG2 . . 3.460 2.967 2.606 3.415 . 0 0 "[ . 1 . 2]" 1
172 1 21 GLU QG 1 73 ILE MD . . 3.990 3.984 3.949 4.001 0.011 5 0 "[ . 1 . 2]" 1
173 1 22 ILE H 1 22 ILE HB . . 3.150 2.479 2.423 2.536 . 0 0 "[ . 1 . 2]" 1
174 1 22 ILE H 1 22 ILE MD . . 3.810 2.968 2.367 3.330 . 0 0 "[ . 1 . 2]" 1
175 1 22 ILE H 1 22 ILE HG12 . . 3.410 1.988 1.902 2.179 . 0 0 "[ . 1 . 2]" 1
176 1 22 ILE H 1 22 ILE HG13 . . 3.880 3.463 3.361 3.640 . 0 0 "[ . 1 . 2]" 1
177 1 22 ILE H 1 22 ILE MG . . 4.000 3.713 3.707 3.718 . 0 0 "[ . 1 . 2]" 1
178 1 22 ILE H 1 39 ALA H . . 4.410 4.433 4.407 4.452 0.042 5 0 "[ . 1 . 2]" 1
179 1 22 ILE H 1 39 ALA HA . . 4.440 4.312 4.170 4.445 0.005 7 0 "[ . 1 . 2]" 1
180 1 22 ILE H 1 40 ASP H . . 4.450 2.659 2.525 2.775 . 0 0 "[ . 1 . 2]" 1
181 1 22 ILE H 1 40 ASP HB2 . . 4.710 3.378 3.273 3.504 . 0 0 "[ . 1 . 2]" 1
182 1 22 ILE H 1 41 VAL HA . . 4.480 3.563 3.364 3.753 . 0 0 "[ . 1 . 2]" 1
183 1 22 ILE H 1 42 VAL MG2 . . 4.610 4.150 3.930 4.343 . 0 0 "[ . 1 . 2]" 1
184 1 22 ILE HA 1 22 ILE MD . . 2.950 1.940 1.908 1.970 . 0 0 "[ . 1 . 2]" 1
185 1 22 ILE HA 1 22 ILE MG . . 3.190 2.316 2.264 2.433 . 0 0 "[ . 1 . 2]" 1
186 1 22 ILE HA 1 23 THR H . . 3.070 2.192 2.176 2.219 . 0 0 "[ . 1 . 2]" 1
187 1 22 ILE HA 1 24 LYS H . . 4.210 3.768 3.595 4.107 . 0 0 "[ . 1 . 2]" 1
188 1 22 ILE HA 1 70 ALA HA . . 3.300 2.185 1.995 2.326 . 0 0 "[ . 1 . 2]" 1
189 1 22 ILE HA 1 71 ARG H . . 4.560 4.065 3.752 4.267 . 0 0 "[ . 1 . 2]" 1
190 1 22 ILE HB 1 22 ILE MD . . 3.740 3.205 3.178 3.216 . 0 0 "[ . 1 . 2]" 1
191 1 22 ILE HB 1 38 GLN HA . . 3.970 3.919 3.783 3.989 0.019 1 0 "[ . 1 . 2]" 1
192 1 22 ILE HB 1 39 ALA H . . 3.750 3.542 3.336 3.639 . 0 0 "[ . 1 . 2]" 1
193 1 22 ILE HB 1 39 ALA HA . . 4.620 4.558 4.398 4.642 0.022 1 0 "[ . 1 . 2]" 1
194 1 22 ILE HB 1 40 ASP H . . 3.380 2.157 2.011 2.302 . 0 0 "[ . 1 . 2]" 1
195 1 22 ILE HB 1 40 ASP HB2 . . 3.650 1.993 1.971 2.026 . 0 0 "[ . 1 . 2]" 1
196 1 22 ILE HB 1 42 VAL MG2 . . 4.430 4.465 4.442 4.517 0.087 18 0 "[ . 1 . 2]" 1
197 1 22 ILE MD 1 22 ILE MG . . 2.600 2.090 1.894 2.395 . 0 0 "[ . 1 . 2]" 1
198 1 22 ILE MD 1 23 THR H . . 3.860 3.665 3.525 3.763 . 0 0 "[ . 1 . 2]" 1
199 1 22 ILE MD 1 36 LEU HB2 . . 4.170 3.466 2.975 3.989 . 0 0 "[ . 1 . 2]" 1
200 1 22 ILE MD 1 36 LEU HB3 . . 4.570 3.659 3.413 3.901 . 0 0 "[ . 1 . 2]" 1
201 1 22 ILE MD 1 36 LEU MD1 . . 3.010 1.926 1.713 2.222 . 0 0 "[ . 1 . 2]" 1
202 1 22 ILE MD 1 40 ASP HB2 . . 4.510 4.229 4.045 4.354 . 0 0 "[ . 1 . 2]" 1
203 1 22 ILE MD 1 42 VAL HB . . 4.190 3.342 3.218 3.587 . 0 0 "[ . 1 . 2]" 1
204 1 22 ILE MD 1 65 PHE QD . . 3.330 3.287 3.136 3.378 0.048 7 0 "[ . 1 . 2]" 1
205 1 22 ILE MD 1 65 PHE QE . . 4.010 3.970 3.854 4.042 0.032 16 0 "[ . 1 . 2]" 1
206 1 22 ILE MD 1 69 PHE HB2 . . 4.590 3.611 3.350 3.955 . 0 0 "[ . 1 . 2]" 1
207 1 22 ILE MD 1 69 PHE HB3 . . 4.430 3.359 3.078 4.073 . 0 0 "[ . 1 . 2]" 1
208 1 22 ILE MD 1 70 ALA HA . . 3.640 2.742 2.437 2.936 . 0 0 "[ . 1 . 2]" 1
209 1 22 ILE MD 1 70 ALA MB . . 3.040 1.847 1.808 1.942 . 0 0 "[ . 1 . 2]" 1
210 1 22 ILE MD 1 71 ARG H . . 4.630 4.173 3.565 4.470 . 0 0 "[ . 1 . 2]" 1
211 1 22 ILE HG12 1 36 LEU MD1 . . 4.090 3.287 3.118 3.513 . 0 0 "[ . 1 . 2]" 1
212 1 22 ILE HG12 1 36 LEU MD2 . . 4.180 3.915 3.512 4.156 . 0 0 "[ . 1 . 2]" 1
213 1 22 ILE HG12 1 40 ASP H . . 4.480 3.670 3.453 3.963 . 0 0 "[ . 1 . 2]" 1
214 1 22 ILE HG12 1 40 ASP HB2 . . 3.760 2.970 2.471 3.273 . 0 0 "[ . 1 . 2]" 1
215 1 22 ILE HG12 1 40 ASP HB3 . . 3.930 3.543 3.220 3.896 . 0 0 "[ . 1 . 2]" 1
216 1 22 ILE HG12 1 41 VAL H . . 5.020 5.038 4.914 5.095 0.075 18 0 "[ . 1 . 2]" 1
217 1 22 ILE HG12 1 42 VAL MG2 . . 3.850 2.770 2.601 3.018 . 0 0 "[ . 1 . 2]" 1
218 1 22 ILE HG13 1 22 ILE MG . . 3.570 2.321 2.106 2.488 . 0 0 "[ . 1 . 2]" 1
219 1 22 ILE HG13 1 36 LEU HB2 . . 4.070 2.710 2.427 3.036 . 0 0 "[ . 1 . 2]" 1
220 1 22 ILE HG13 1 36 LEU HB3 . . 3.850 2.131 1.980 2.232 . 0 0 "[ . 1 . 2]" 1
221 1 22 ILE HG13 1 36 LEU MD1 . . 3.580 2.175 1.955 2.485 . 0 0 "[ . 1 . 2]" 1
222 1 22 ILE HG13 1 36 LEU MD2 . . 4.020 2.985 2.608 3.202 . 0 0 "[ . 1 . 2]" 1
223 1 22 ILE HG13 1 40 ASP HB2 . . 3.910 2.897 2.644 3.228 . 0 0 "[ . 1 . 2]" 1
224 1 22 ILE HG13 1 40 ASP HB3 . . 4.130 3.648 3.292 4.062 . 0 0 "[ . 1 . 2]" 1
225 1 22 ILE HG13 1 42 VAL MG2 . . 3.970 2.858 2.717 3.122 . 0 0 "[ . 1 . 2]" 1
226 1 22 ILE HG13 1 70 ALA MB . . 4.370 4.378 4.297 4.417 0.047 18 0 "[ . 1 . 2]" 1
227 1 22 ILE MG 1 23 THR H . . 3.190 2.706 2.350 3.185 . 0 0 "[ . 1 . 2]" 1
228 1 22 ILE MG 1 23 THR HA . . 4.350 4.267 4.104 4.415 0.065 6 0 "[ . 1 . 2]" 1
229 1 22 ILE MG 1 24 LYS H . . 2.970 2.253 1.921 2.646 . 0 0 "[ . 1 . 2]" 1
230 1 22 ILE MG 1 25 ALA HA . . 3.810 2.834 2.543 3.119 . 0 0 "[ . 1 . 2]" 1
231 1 22 ILE MG 1 26 PHE H . . 3.850 3.401 2.998 3.719 . 0 0 "[ . 1 . 2]" 1
232 1 22 ILE MG 1 26 PHE HB2 . . 4.520 3.272 2.977 3.455 . 0 0 "[ . 1 . 2]" 1
233 1 22 ILE MG 1 26 PHE HB3 . . 4.650 3.209 2.960 3.500 . 0 0 "[ . 1 . 2]" 1
234 1 22 ILE MG 1 36 LEU HB2 . . 3.450 2.244 2.041 2.426 . 0 0 "[ . 1 . 2]" 1
235 1 22 ILE MG 1 36 LEU HB3 . . 3.070 2.984 2.816 3.079 0.009 6 0 "[ . 1 . 2]" 1
236 1 22 ILE MG 1 36 LEU MD1 . . 2.940 2.480 2.253 2.792 . 0 0 "[ . 1 . 2]" 1
237 1 22 ILE MG 1 36 LEU MD2 . . 4.350 4.136 3.930 4.241 . 0 0 "[ . 1 . 2]" 1
238 1 22 ILE MG 1 37 GLN H . . 4.990 3.640 3.375 3.836 . 0 0 "[ . 1 . 2]" 1
239 1 22 ILE MG 1 37 GLN HA . . 4.060 3.997 3.810 4.088 0.028 18 0 "[ . 1 . 2]" 1
240 1 22 ILE MG 1 38 GLN H . . 5.090 4.499 4.222 4.710 . 0 0 "[ . 1 . 2]" 1
241 1 22 ILE MG 1 38 GLN HA . . 3.230 3.128 2.876 3.249 0.019 6 0 "[ . 1 . 2]" 1
242 1 22 ILE MG 1 39 ALA H . . 4.320 3.739 3.556 3.877 . 0 0 "[ . 1 . 2]" 1
243 1 22 ILE MG 1 40 ASP HB2 . . 4.180 3.289 3.203 3.360 . 0 0 "[ . 1 . 2]" 1
244 1 22 ILE MG 1 40 ASP HB3 . . 4.700 4.611 4.505 4.690 . 0 0 "[ . 1 . 2]" 1
245 1 22 ILE MG 1 69 PHE HB2 . . 4.140 4.021 3.606 4.150 0.010 7 0 "[ . 1 . 2]" 1
246 1 22 ILE MG 1 69 PHE HB3 . . 3.670 2.907 2.722 3.052 . 0 0 "[ . 1 . 2]" 1
247 1 22 ILE MG 1 69 PHE QD . . 4.650 3.889 3.748 4.507 . 0 0 "[ . 1 . 2]" 1
248 1 22 ILE MG 1 70 ALA HA . . 4.360 3.868 3.663 4.047 . 0 0 "[ . 1 . 2]" 1
249 1 23 THR H 1 23 THR HB . . 4.090 3.525 3.479 3.584 . 0 0 "[ . 1 . 2]" 1
250 1 23 THR H 1 23 THR MG . . 3.110 2.164 1.902 2.419 . 0 0 "[ . 1 . 2]" 1
251 1 23 THR H 1 24 LYS H . . 3.140 2.467 2.206 2.803 . 0 0 "[ . 1 . 2]" 1
252 1 23 THR H 1 69 PHE HA . . 4.920 3.930 3.620 4.164 . 0 0 "[ . 1 . 2]" 1
253 1 23 THR H 1 70 ALA H . . 5.210 4.268 3.990 4.569 . 0 0 "[ . 1 . 2]" 1
254 1 23 THR H 1 70 ALA HA . . 3.450 2.653 2.337 2.898 . 0 0 "[ . 1 . 2]" 1
255 1 23 THR H 1 70 ALA MB . . 4.230 4.084 3.869 4.238 0.008 19 0 "[ . 1 . 2]" 1
256 1 23 THR HA 1 23 THR MG . . 2.920 2.462 2.260 2.605 . 0 0 "[ . 1 . 2]" 1
257 1 23 THR HA 1 38 GLN HA . . 4.450 4.138 3.763 4.408 . 0 0 "[ . 1 . 2]" 1
258 1 23 THR HA 1 38 GLN HE21 . . 5.420 4.650 3.579 5.422 0.002 12 0 "[ . 1 . 2]" 1
259 1 23 THR HA 1 38 GLN QG . . 3.640 3.423 3.088 3.646 0.006 9 0 "[ . 1 . 2]" 1
260 1 23 THR HA 1 39 ALA H . . 4.560 3.077 2.901 3.208 . 0 0 "[ . 1 . 2]" 1
261 1 23 THR HA 1 39 ALA MB . . 4.530 4.572 4.542 4.610 0.080 13 0 "[ . 1 . 2]" 1
262 1 23 THR HB 1 24 LYS H . . 4.480 3.948 3.531 4.283 . 0 0 "[ . 1 . 2]" 1
263 1 23 THR HB 1 24 LYS QD . . 4.190 3.971 3.444 4.195 0.005 12 0 "[ . 1 . 2]" 1
264 1 23 THR MG 1 24 LYS H . . 4.240 3.803 3.626 3.988 . 0 0 "[ . 1 . 2]" 1
265 1 23 THR MG 1 69 PHE HA . . 4.520 4.005 3.558 4.328 . 0 0 "[ . 1 . 2]" 1
266 1 23 THR MG 1 70 ALA HA . . 3.560 2.814 2.535 3.337 . 0 0 "[ . 1 . 2]" 1
267 1 23 THR MG 1 71 ARG H . . 3.510 3.491 3.317 3.540 0.030 19 0 "[ . 1 . 2]" 1
268 1 23 THR MG 1 71 ARG QB . . 2.980 2.861 2.609 2.989 0.009 11 0 "[ . 1 . 2]" 1
269 1 23 THR MG 1 71 ARG HD2 . . 4.020 3.401 2.604 4.017 . 0 0 "[ . 1 . 2]" 1
270 1 23 THR MG 1 71 ARG HD3 . . 3.600 3.557 2.849 4.009 0.409 2 0 "[ . 1 . 2]" 1
271 1 23 THR MG 1 71 ARG HG2 . . 3.970 3.382 2.400 3.793 . 0 0 "[ . 1 . 2]" 1
272 1 23 THR MG 1 71 ARG HG3 . . 3.460 2.417 1.860 3.984 0.524 12 1 "[ . 1 + . 2]" 1
273 1 24 LYS H 1 24 LYS HB2 . . 4.050 3.879 3.763 3.941 . 0 0 "[ . 1 . 2]" 1
274 1 24 LYS H 1 24 LYS HB3 . . 3.920 3.278 3.048 3.469 . 0 0 "[ . 1 . 2]" 1
275 1 24 LYS H 1 24 LYS QG . . 3.950 2.240 1.940 2.648 . 0 0 "[ . 1 . 2]" 1
276 1 24 LYS H 1 25 ALA H . . 4.630 4.388 4.302 4.484 . 0 0 "[ . 1 . 2]" 1
277 1 24 LYS H 1 38 GLN HA . . 4.610 3.911 3.633 4.213 . 0 0 "[ . 1 . 2]" 1
278 1 24 LYS H 1 38 GLN QG . . 4.790 4.613 4.454 4.743 . 0 0 "[ . 1 . 2]" 1
279 1 24 LYS H 1 70 ALA HA . . 5.040 4.824 4.615 5.054 0.014 17 0 "[ . 1 . 2]" 1
280 1 24 LYS HA 1 24 LYS QD . . 4.450 4.078 3.768 4.207 . 0 0 "[ . 1 . 2]" 1
281 1 24 LYS HA 1 24 LYS QG . . 3.680 3.332 3.320 3.379 . 0 0 "[ . 1 . 2]" 1
282 1 24 LYS HA 1 25 ALA H . . 2.770 2.330 2.278 2.373 . 0 0 "[ . 1 . 2]" 1
283 1 24 LYS HA 1 38 GLN HA . . 4.630 2.790 2.604 3.033 . 0 0 "[ . 1 . 2]" 1
284 1 24 LYS HA 1 38 GLN HB2 . . 3.640 2.641 2.502 2.725 . 0 0 "[ . 1 . 2]" 1
285 1 24 LYS HA 1 38 GLN HB3 . . 4.290 4.298 4.221 4.327 0.037 16 0 "[ . 1 . 2]" 1
286 1 24 LYS HA 1 38 GLN HE21 . . 5.360 4.264 2.137 5.371 0.011 16 0 "[ . 1 . 2]" 1
287 1 24 LYS HA 1 38 GLN QG . . 3.770 3.071 2.786 3.298 . 0 0 "[ . 1 . 2]" 1
288 1 24 LYS HB2 1 24 LYS QD . . 2.870 2.902 2.667 3.277 0.407 5 0 "[ . 1 . 2]" 1
289 1 24 LYS HB2 1 25 ALA H . . 4.030 2.856 2.764 2.996 . 0 0 "[ . 1 . 2]" 1
290 1 24 LYS HB3 1 25 ALA H . . 3.950 4.043 3.984 4.072 0.122 9 0 "[ . 1 . 2]" 1
291 1 24 LYS QD 1 69 PHE QE . . 4.500 4.455 3.961 4.511 0.011 1 0 "[ . 1 . 2]" 1
292 1 24 LYS HE2 1 24 LYS QG . . 3.110 2.862 2.150 3.277 0.167 10 0 "[ . 1 . 2]" 1
293 1 24 LYS HE2 1 69 PHE HA . . 4.020 2.887 2.007 4.142 0.122 10 0 "[ . 1 . 2]" 1
294 1 24 LYS HE2 1 69 PHE QD . . 4.450 3.846 2.371 4.406 . 0 0 "[ . 1 . 2]" 1
295 1 24 LYS HE2 1 69 PHE QE . . 5.120 4.430 3.462 5.124 0.004 4 0 "[ . 1 . 2]" 1
296 1 24 LYS HE3 1 24 LYS QG . . 3.780 2.232 1.959 2.655 . 0 0 "[ . 1 . 2]" 1
297 1 24 LYS HE3 1 69 PHE HA . . 4.590 3.237 2.073 4.596 0.006 5 0 "[ . 1 . 2]" 1
298 1 24 LYS HE3 1 69 PHE QE . . 4.470 3.181 2.502 4.006 . 0 0 "[ . 1 . 2]" 1
299 1 24 LYS QG 1 25 ALA H . . 4.040 3.818 3.574 4.059 0.019 16 0 "[ . 1 . 2]" 1
300 1 24 LYS QG 1 69 PHE HA . . 3.890 3.214 2.843 3.674 . 0 0 "[ . 1 . 2]" 1
301 1 24 LYS QG 1 69 PHE QD . . 3.920 2.405 2.129 3.148 . 0 0 "[ . 1 . 2]" 1
302 1 24 LYS QG 1 69 PHE QE . . 4.160 3.246 2.926 4.247 0.087 16 0 "[ . 1 . 2]" 1
303 1 25 ALA H 1 25 ALA MB . . 2.720 2.060 1.946 2.164 . 0 0 "[ . 1 . 2]" 1
304 1 25 ALA H 1 38 GLN HB2 . . 4.010 3.054 2.744 3.226 . 0 0 "[ . 1 . 2]" 1
305 1 25 ALA H 1 38 GLN HB3 . . 4.650 4.559 4.323 4.656 0.006 19 0 "[ . 1 . 2]" 1
306 1 25 ALA H 1 38 GLN QG . . 4.880 4.573 4.079 4.881 0.001 8 0 "[ . 1 . 2]" 1
307 1 25 ALA HA 1 26 PHE H . . 2.750 2.274 2.189 2.412 . 0 0 "[ . 1 . 2]" 1
308 1 25 ALA HA 1 26 PHE HB2 . . 4.850 4.564 4.445 4.675 . 0 0 "[ . 1 . 2]" 1
309 1 25 ALA HA 1 26 PHE HB3 . . 4.800 4.170 4.016 4.392 . 0 0 "[ . 1 . 2]" 1
310 1 25 ALA HA 1 37 GLN HA . . 3.300 2.345 2.003 2.754 . 0 0 "[ . 1 . 2]" 1
311 1 25 ALA HA 1 38 GLN H . . 3.970 3.835 3.267 3.990 0.020 9 0 "[ . 1 . 2]" 1
312 1 25 ALA MB 1 26 PHE H . . 3.260 2.987 2.671 3.281 0.021 13 0 "[ . 1 . 2]" 1
313 1 25 ALA MB 1 26 PHE HA . . 4.720 4.103 3.881 4.320 . 0 0 "[ . 1 . 2]" 1
314 1 25 ALA MB 1 27 PHE QE . . 3.300 3.064 2.819 3.303 0.003 17 0 "[ . 1 . 2]" 1
315 1 25 ALA MB 1 27 PHE HZ . . 3.960 3.701 3.135 3.952 . 0 0 "[ . 1 . 2]" 1
316 1 25 ALA MB 1 37 GLN HA . . 3.160 2.121 1.958 2.381 . 0 0 "[ . 1 . 2]" 1
317 1 25 ALA MB 1 37 GLN HB3 . . 4.690 3.963 3.576 4.260 . 0 0 "[ . 1 . 2]" 1
318 1 25 ALA MB 1 38 GLN H . . 3.470 3.079 2.648 3.410 . 0 0 "[ . 1 . 2]" 1
319 1 25 ALA MB 1 38 GLN HB2 . . 4.350 3.825 3.354 4.118 . 0 0 "[ . 1 . 2]" 1
320 1 26 PHE H 1 26 PHE HB2 . . 3.730 3.140 2.723 3.431 . 0 0 "[ . 1 . 2]" 1
321 1 26 PHE H 1 26 PHE HB3 . . 3.610 2.322 2.202 2.538 . 0 0 "[ . 1 . 2]" 1
322 1 26 PHE H 1 35 THR HA . . 4.820 4.083 3.830 4.428 . 0 0 "[ . 1 . 2]" 1
323 1 26 PHE H 1 36 LEU H . . 3.860 2.253 2.094 2.582 . 0 0 "[ . 1 . 2]" 1
324 1 26 PHE H 1 36 LEU HB2 . . 4.400 2.685 2.321 3.073 . 0 0 "[ . 1 . 2]" 1
325 1 26 PHE H 1 37 GLN HA . . 4.440 3.922 3.507 4.190 . 0 0 "[ . 1 . 2]" 1
326 1 26 PHE HA 1 26 PHE QD . . 4.170 2.497 2.171 2.688 . 0 0 "[ . 1 . 2]" 1
327 1 26 PHE HA 1 27 PHE H . . 3.070 2.330 2.193 2.386 . 0 0 "[ . 1 . 2]" 1
328 1 26 PHE HA 1 27 PHE HB2 . . 4.680 4.440 4.332 4.591 . 0 0 "[ . 1 . 2]" 1
329 1 26 PHE HA 1 69 PHE QD . . 4.650 3.257 2.861 3.497 . 0 0 "[ . 1 . 2]" 1
330 1 26 PHE HA 1 69 PHE QE . . 4.610 3.645 3.254 4.357 . 0 0 "[ . 1 . 2]" 1
331 1 26 PHE HB2 1 27 PHE H . . 4.620 4.540 4.101 4.632 0.012 15 0 "[ . 1 . 2]" 1
332 1 26 PHE HB2 1 36 LEU H . . 4.630 4.384 3.832 4.630 0.000 4 0 "[ . 1 . 2]" 1
333 1 26 PHE HB2 1 36 LEU HB2 . . 4.050 3.675 3.498 3.827 . 0 0 "[ . 1 . 2]" 1
334 1 26 PHE HB2 1 36 LEU MD1 . . 4.540 2.987 2.618 3.233 . 0 0 "[ . 1 . 2]" 1
335 1 26 PHE HB2 1 36 LEU HG . . 4.560 4.567 4.455 4.617 0.057 16 0 "[ . 1 . 2]" 1
336 1 26 PHE HB2 1 69 PHE HB2 . . 3.550 3.492 3.082 3.563 0.013 13 0 "[ . 1 . 2]" 1
337 1 26 PHE HB2 1 69 PHE HB3 . . 4.670 2.724 2.627 3.107 . 0 0 "[ . 1 . 2]" 1
338 1 26 PHE HB2 1 69 PHE QD . . 3.780 2.738 2.398 2.817 . 0 0 "[ . 1 . 2]" 1
339 1 26 PHE HB2 1 69 PHE QE . . 4.400 4.373 4.238 4.469 0.069 16 0 "[ . 1 . 2]" 1
340 1 26 PHE HB3 1 27 PHE H . . 4.930 4.557 4.180 4.645 . 0 0 "[ . 1 . 2]" 1
341 1 26 PHE HB3 1 36 LEU H . . 4.180 2.809 2.179 3.117 . 0 0 "[ . 1 . 2]" 1
342 1 26 PHE HB3 1 36 LEU HB2 . . 3.760 2.431 2.257 2.774 . 0 0 "[ . 1 . 2]" 1
343 1 26 PHE HB3 1 36 LEU HB3 . . 4.430 4.070 3.929 4.387 . 0 0 "[ . 1 . 2]" 1
344 1 26 PHE HB3 1 36 LEU MD1 . . 4.260 2.184 1.974 2.752 . 0 0 "[ . 1 . 2]" 1
345 1 26 PHE HB3 1 36 LEU HG . . 4.740 2.926 2.864 3.018 . 0 0 "[ . 1 . 2]" 1
346 1 26 PHE HB3 1 69 PHE QD . . 4.370 4.336 4.043 4.382 0.012 11 0 "[ . 1 . 2]" 1
347 1 26 PHE QD 1 27 PHE H . . 4.400 3.642 2.018 4.045 . 0 0 "[ . 1 . 2]" 1
348 1 26 PHE QD 1 34 VAL MG1 . . 4.390 3.384 3.159 3.661 . 0 0 "[ . 1 . 2]" 1
349 1 26 PHE QD 1 35 THR HA . . 4.370 3.753 3.455 4.165 . 0 0 "[ . 1 . 2]" 1
350 1 26 PHE QD 1 36 LEU H . . 4.670 3.638 3.259 4.025 . 0 0 "[ . 1 . 2]" 1
351 1 26 PHE QD 1 36 LEU MD1 . . 4.270 1.993 1.900 2.555 . 0 0 "[ . 1 . 2]" 1
352 1 26 PHE QD 1 65 PHE HB2 . . 4.180 3.498 3.355 3.646 . 0 0 "[ . 1 . 2]" 1
353 1 26 PHE QD 1 65 PHE HB3 . . 4.040 4.043 3.926 4.102 0.062 19 0 "[ . 1 . 2]" 1
354 1 26 PHE QD 1 66 PRO QD . . 4.140 3.193 2.840 3.374 . 0 0 "[ . 1 . 2]" 1
355 1 26 PHE QD 1 66 PRO HG2 . . 4.620 3.848 3.328 4.193 . 0 0 "[ . 1 . 2]" 1
356 1 26 PHE QE 1 28 ALA HA . . 3.770 3.592 3.302 3.784 0.014 19 0 "[ . 1 . 2]" 1
357 1 26 PHE QE 1 28 ALA MB . . 3.980 3.560 3.188 3.990 0.010 13 0 "[ . 1 . 2]" 1
358 1 26 PHE QE 1 33 GLU HA . . 4.480 3.454 3.196 3.941 . 0 0 "[ . 1 . 2]" 1
359 1 26 PHE QE 1 33 GLU QB . . 3.530 2.583 2.196 2.960 . 0 0 "[ . 1 . 2]" 1
360 1 26 PHE QE 1 33 GLU HG2 . . 4.470 3.268 2.852 3.499 . 0 0 "[ . 1 . 2]" 1
361 1 26 PHE QE 1 33 GLU HG3 . . 4.670 4.553 4.305 4.724 0.054 13 0 "[ . 1 . 2]" 1
362 1 26 PHE QE 1 34 VAL H . . 4.080 2.164 1.939 3.038 . 0 0 "[ . 1 . 2]" 1
363 1 26 PHE QE 1 34 VAL MG1 . . 4.820 3.058 2.432 3.697 . 0 0 "[ . 1 . 2]" 1
364 1 26 PHE QE 1 65 PHE HB2 . . 4.510 4.023 3.711 4.346 . 0 0 "[ . 1 . 2]" 1
365 1 26 PHE QE 1 65 PHE HB3 . . 4.320 3.941 3.552 4.373 0.053 13 0 "[ . 1 . 2]" 1
366 1 26 PHE QE 1 66 PRO QD . . 3.680 2.796 2.487 2.944 . 0 0 "[ . 1 . 2]" 1
367 1 26 PHE QE 1 66 PRO HG2 . . 3.960 3.965 3.869 4.033 0.073 16 0 "[ . 1 . 2]" 1
368 1 26 PHE QE 1 66 PRO HG3 . . 4.050 3.228 2.748 3.486 . 0 0 "[ . 1 . 2]" 1
369 1 26 PHE HZ 1 28 ALA HA . . 4.110 3.544 3.180 3.967 . 0 0 "[ . 1 . 2]" 1
370 1 26 PHE HZ 1 33 GLU QB . . 4.010 2.507 2.016 3.802 . 0 0 "[ . 1 . 2]" 1
371 1 26 PHE HZ 1 33 GLU HG2 . . 4.720 2.262 1.996 3.587 . 0 0 "[ . 1 . 2]" 1
372 1 26 PHE HZ 1 66 PRO QD . . 3.860 2.875 2.756 3.007 . 0 0 "[ . 1 . 2]" 1
373 1 27 PHE H 1 27 PHE HB2 . . 3.310 2.333 2.235 2.510 . 0 0 "[ . 1 . 2]" 1
374 1 27 PHE H 1 27 PHE HB3 . . 3.670 3.472 3.445 3.587 . 0 0 "[ . 1 . 2]" 1
375 1 27 PHE H 1 27 PHE QD . . 3.850 2.532 2.118 3.165 . 0 0 "[ . 1 . 2]" 1
376 1 27 PHE HA 1 27 PHE QD . . 3.880 2.653 2.130 3.043 . 0 0 "[ . 1 . 2]" 1
377 1 27 PHE HA 1 28 ALA H . . 2.970 2.211 2.193 2.256 . 0 0 "[ . 1 . 2]" 1
378 1 27 PHE HA 1 28 ALA MB . . 4.370 3.966 3.923 3.997 . 0 0 "[ . 1 . 2]" 1
379 1 27 PHE HA 1 35 THR MG . . 3.010 2.139 1.972 2.267 . 0 0 "[ . 1 . 2]" 1
380 1 27 PHE HB2 1 28 ALA H . . 4.540 4.476 4.325 4.558 0.018 3 0 "[ . 1 . 2]" 1
381 1 27 PHE HB2 1 35 THR MG . . 4.690 4.696 4.686 4.720 0.030 19 0 "[ . 1 . 2]" 1
382 1 27 PHE HB3 1 28 ALA H . . 4.000 3.813 3.613 4.022 0.022 11 0 "[ . 1 . 2]" 1
383 1 27 PHE HB3 1 35 THR MG . . 4.250 3.970 3.768 4.170 . 0 0 "[ . 1 . 2]" 1
384 1 27 PHE QD 1 28 ALA H . . 4.620 4.347 4.057 4.621 0.001 3 0 "[ . 1 . 2]" 1
385 1 27 PHE QD 1 35 THR MG . . 3.350 2.705 1.991 3.313 . 0 0 "[ . 1 . 2]" 1
386 1 28 ALA H 1 28 ALA MB . . 2.790 2.114 1.970 2.178 . 0 0 "[ . 1 . 2]" 1
387 1 28 ALA H 1 29 LYS H . . 5.000 4.607 4.504 4.648 . 0 0 "[ . 1 . 2]" 1
388 1 28 ALA H 1 35 THR MG . . 3.280 2.987 2.299 3.295 0.015 5 0 "[ . 1 . 2]" 1
389 1 28 ALA H 1 36 LEU H . . 4.900 4.408 4.005 4.830 . 0 0 "[ . 1 . 2]" 1
390 1 28 ALA HA 1 29 LYS H . . 2.780 2.231 2.188 2.276 . 0 0 "[ . 1 . 2]" 1
391 1 28 ALA HA 1 29 LYS QB . . 4.440 4.206 4.143 4.392 . 0 0 "[ . 1 . 2]" 1
392 1 28 ALA HA 1 29 LYS QG . . 4.550 4.179 3.473 4.565 0.015 17 0 "[ . 1 . 2]" 1
393 1 28 ALA HA 1 30 GLN H . . 3.840 3.779 3.597 3.865 0.025 18 0 "[ . 1 . 2]" 1
394 1 28 ALA HA 1 33 GLU QB . . 3.290 2.341 1.979 2.556 . 0 0 "[ . 1 . 2]" 1
395 1 28 ALA HA 1 33 GLU HG2 . . 4.580 4.352 4.054 4.552 . 0 0 "[ . 1 . 2]" 1
396 1 28 ALA HA 1 34 VAL H . . 5.160 4.070 3.408 4.603 . 0 0 "[ . 1 . 2]" 1
397 1 28 ALA MB 1 29 LYS H . . 3.450 3.073 2.926 3.292 . 0 0 "[ . 1 . 2]" 1
398 1 28 ALA MB 1 30 GLN H . . 3.630 3.483 3.290 3.625 . 0 0 "[ . 1 . 2]" 1
399 1 28 ALA MB 1 33 GLU H . . 3.990 3.564 3.400 3.766 . 0 0 "[ . 1 . 2]" 1
400 1 28 ALA MB 1 33 GLU HA . . 4.520 3.763 3.593 3.972 . 0 0 "[ . 1 . 2]" 1
401 1 28 ALA MB 1 33 GLU QB . . 2.850 1.925 1.765 2.050 . 0 0 "[ . 1 . 2]" 1
402 1 28 ALA MB 1 33 GLU HG2 . . 4.410 4.286 4.007 4.419 0.009 3 0 "[ . 1 . 2]" 1
403 1 28 ALA MB 1 33 GLU HG3 . . 4.530 4.329 4.171 4.454 . 0 0 "[ . 1 . 2]" 1
404 1 28 ALA MB 1 34 VAL H . . 4.000 2.600 2.278 3.215 . 0 0 "[ . 1 . 2]" 1
405 1 28 ALA MB 1 34 VAL MG1 . . 4.330 3.890 3.703 4.312 . 0 0 "[ . 1 . 2]" 1
406 1 28 ALA MB 1 35 THR H . . 3.910 2.797 2.564 3.142 . 0 0 "[ . 1 . 2]" 1
407 1 28 ALA MB 1 35 THR HA . . 3.680 3.149 2.954 3.517 . 0 0 "[ . 1 . 2]" 1
408 1 28 ALA MB 1 35 THR HB . . 4.250 4.119 3.827 4.270 0.020 5 0 "[ . 1 . 2]" 1
409 1 29 LYS H 1 29 LYS QB . . 3.610 2.695 2.505 2.784 . 0 0 "[ . 1 . 2]" 1
410 1 29 LYS H 1 29 LYS QG . . 3.830 2.344 2.214 2.728 . 0 0 "[ . 1 . 2]" 1
411 1 29 LYS H 1 30 GLN H . . 3.060 1.959 1.894 2.116 . 0 0 "[ . 1 . 2]" 1
412 1 29 LYS H 1 33 GLU QB . . 3.910 2.672 2.053 3.023 . 0 0 "[ . 1 . 2]" 1
413 1 29 LYS HA 1 29 LYS QD . . 3.900 3.580 2.095 3.928 0.028 19 0 "[ . 1 . 2]" 1
414 1 29 LYS HA 1 29 LYS QG . . 3.580 3.318 2.771 3.400 . 0 0 "[ . 1 . 2]" 1
415 1 29 LYS QB 1 29 LYS QD . . 3.320 2.038 1.966 2.263 . 0 0 "[ . 1 . 2]" 1
416 1 29 LYS QB 1 30 GLN H . . 3.930 3.537 2.809 3.662 . 0 0 "[ . 1 . 2]" 1
417 1 29 LYS QE 1 29 LYS QG . . 3.400 2.067 1.938 2.231 . 0 0 "[ . 1 . 2]" 1
418 1 29 LYS QG 1 30 GLN H . . 4.820 2.206 1.941 4.134 . 0 0 "[ . 1 . 2]" 1
419 1 29 LYS QG 1 30 GLN HG2 . . 4.360 3.376 2.398 4.483 0.123 13 0 "[ . 1 . 2]" 1
420 1 30 GLN H 1 30 GLN HB2 . . 3.770 2.292 2.163 2.809 . 0 0 "[ . 1 . 2]" 1
421 1 30 GLN H 1 30 GLN HG2 . . 3.860 3.386 2.022 3.882 0.022 15 0 "[ . 1 . 2]" 1
422 1 30 GLN H 1 30 GLN HG3 . . 4.000 3.449 2.880 3.968 . 0 0 "[ . 1 . 2]" 1
423 1 30 GLN H 1 32 ASP H . . 4.420 4.394 4.143 4.439 0.019 16 0 "[ . 1 . 2]" 1
424 1 30 GLN H 1 33 GLU QB . . 3.690 2.484 1.942 2.771 . 0 0 "[ . 1 . 2]" 1
425 1 30 GLN H 1 33 GLU HG2 . . 4.950 4.313 3.907 4.663 . 0 0 "[ . 1 . 2]" 1
426 1 30 GLN HA 1 30 GLN HG2 . . 3.920 2.239 2.011 3.199 . 0 0 "[ . 1 . 2]" 1
427 1 30 GLN HA 1 31 ALA MB . . 4.380 4.057 4.005 4.139 . 0 0 "[ . 1 . 2]" 1
428 1 30 GLN HB2 1 32 ASP H . . 4.510 2.950 2.117 3.217 . 0 0 "[ . 1 . 2]" 1
429 1 30 GLN HB2 1 33 GLU H . . 4.640 2.964 2.526 4.116 . 0 0 "[ . 1 . 2]" 1
430 1 30 GLN HB2 1 33 GLU QB . . 4.310 3.235 2.804 3.589 . 0 0 "[ . 1 . 2]" 1
431 1 30 GLN HB2 1 33 GLU HG2 . . 4.570 3.977 3.675 4.236 . 0 0 "[ . 1 . 2]" 1
432 1 30 GLN HB2 1 33 GLU HG3 . . 4.100 2.532 2.000 3.162 . 0 0 "[ . 1 . 2]" 1
433 1 30 GLN HB3 1 31 ALA MB . . 4.300 3.923 3.803 4.161 . 0 0 "[ . 1 . 2]" 1
434 1 30 GLN HB3 1 32 ASP H . . 4.290 2.187 1.966 3.030 . 0 0 "[ . 1 . 2]" 1
435 1 30 GLN HG3 1 32 ASP H . . 5.190 4.813 4.419 5.007 . 0 0 "[ . 1 . 2]" 1
436 1 31 ALA HA 1 32 ASP H . . 3.370 3.372 3.317 3.403 0.033 13 0 "[ . 1 . 2]" 1
437 1 31 ALA HA 1 33 GLU H . . 4.310 3.925 3.691 4.188 . 0 0 "[ . 1 . 2]" 1
438 1 31 ALA MB 1 32 ASP H . . 3.520 3.267 3.211 3.352 . 0 0 "[ . 1 . 2]" 1
439 1 31 ALA MB 1 32 ASP HA . . 4.390 4.026 3.981 4.108 . 0 0 "[ . 1 . 2]" 1
440 1 31 ALA MB 1 32 ASP HB3 . . 4.530 4.933 4.515 5.467 0.937 6 9 "[* **.+ 1 *-*. **2]" 1
441 1 32 ASP H 1 32 ASP HB2 . . 3.980 2.947 2.185 3.516 . 0 0 "[ . 1 . 2]" 1
442 1 32 ASP H 1 32 ASP HB3 . . 3.890 3.155 3.047 3.638 . 0 0 "[ . 1 . 2]" 1
443 1 32 ASP H 1 33 GLU H . . 3.440 2.117 1.897 3.038 . 0 0 "[ . 1 . 2]" 1
444 1 32 ASP HA 1 64 TRP HD1 . . 4.530 3.541 3.172 4.046 . 0 0 "[ . 1 . 2]" 1
445 1 32 ASP HB2 1 64 TRP HD1 . . 3.100 2.772 1.997 3.475 0.375 18 0 "[ . 1 . 2]" 1
446 1 32 ASP HB3 1 33 GLU H . . 4.750 3.969 3.185 4.458 . 0 0 "[ . 1 . 2]" 1
447 1 32 ASP HB3 1 64 TRP HD1 . . 3.430 2.788 1.984 3.443 0.013 5 0 "[ . 1 . 2]" 1
448 1 32 ASP HB3 1 64 TRP HE1 . . 4.920 4.397 3.608 4.787 . 0 0 "[ . 1 . 2]" 1
449 1 33 GLU H 1 33 GLU QB . . 3.270 2.353 2.212 2.601 . 0 0 "[ . 1 . 2]" 1
450 1 33 GLU H 1 33 GLU HG2 . . 4.100 3.845 3.666 4.193 0.093 13 0 "[ . 1 . 2]" 1
451 1 33 GLU H 1 33 GLU HG3 . . 3.950 2.566 2.353 3.464 . 0 0 "[ . 1 . 2]" 1
452 1 33 GLU H 1 64 TRP H . . 5.310 4.215 4.004 4.403 . 0 0 "[ . 1 . 2]" 1
453 1 33 GLU HA 1 33 GLU HG2 . . 3.530 2.653 2.284 2.950 . 0 0 "[ . 1 . 2]" 1
454 1 33 GLU HA 1 33 GLU HG3 . . 3.900 2.720 2.546 2.990 . 0 0 "[ . 1 . 2]" 1
455 1 33 GLU HA 1 34 VAL H . . 3.130 2.561 2.313 2.734 . 0 0 "[ . 1 . 2]" 1
456 1 33 GLU HA 1 34 VAL MG1 . . 4.190 3.317 3.182 3.611 . 0 0 "[ . 1 . 2]" 1
457 1 33 GLU HA 1 63 GLY HA2 . . 4.430 4.311 4.011 4.456 0.026 16 0 "[ . 1 . 2]" 1
458 1 33 GLU HA 1 63 GLY HA3 . . 4.300 3.656 3.412 3.833 . 0 0 "[ . 1 . 2]" 1
459 1 33 GLU HA 1 64 TRP H . . 3.120 2.046 1.909 2.212 . 0 0 "[ . 1 . 2]" 1
460 1 33 GLU HA 1 64 TRP HB2 . . 3.630 2.692 2.446 2.815 . 0 0 "[ . 1 . 2]" 1
461 1 33 GLU HA 1 64 TRP HB3 . . 4.160 4.035 3.747 4.199 0.039 13 0 "[ . 1 . 2]" 1
462 1 33 GLU QB 1 34 VAL H . . 3.520 2.318 1.973 2.890 . 0 0 "[ . 1 . 2]" 1
463 1 33 GLU QB 1 34 VAL MG1 . . 4.500 3.956 3.795 4.237 . 0 0 "[ . 1 . 2]" 1
464 1 33 GLU QB 1 51 TRP HZ3 . . 4.480 3.738 3.333 4.111 . 0 0 "[ . 1 . 2]" 1
465 1 33 GLU QB 1 64 TRP H . . 4.860 4.201 4.077 4.325 . 0 0 "[ . 1 . 2]" 1
466 1 33 GLU QB 1 64 TRP HB2 . . 4.530 4.439 4.246 4.584 0.054 17 0 "[ . 1 . 2]" 1
467 1 33 GLU HG2 1 34 VAL H . . 4.590 3.941 3.644 4.115 . 0 0 "[ . 1 . 2]" 1
468 1 33 GLU HG2 1 51 TRP HZ3 . . 4.070 2.368 2.000 3.051 . 0 0 "[ . 1 . 2]" 1
469 1 33 GLU HG2 1 64 TRP H . . 4.960 4.282 3.482 4.768 . 0 0 "[ . 1 . 2]" 1
470 1 33 GLU HG2 1 64 TRP HB2 . . 4.100 3.410 2.526 3.917 . 0 0 "[ . 1 . 2]" 1
471 1 33 GLU HG2 1 64 TRP HB3 . . 4.420 4.013 3.429 4.405 . 0 0 "[ . 1 . 2]" 1
472 1 33 GLU HG3 1 51 TRP HZ3 . . 4.500 3.969 3.636 4.459 . 0 0 "[ . 1 . 2]" 1
473 1 33 GLU HG3 1 64 TRP HB2 . . 4.400 3.355 3.024 3.547 . 0 0 "[ . 1 . 2]" 1
474 1 33 GLU HG3 1 64 TRP HB3 . . 4.670 4.460 4.039 4.696 0.026 13 0 "[ . 1 . 2]" 1
475 1 34 VAL H 1 34 VAL HB . . 4.010 3.371 3.096 3.518 . 0 0 "[ . 1 . 2]" 1
476 1 34 VAL H 1 34 VAL MG1 . . 2.950 2.138 1.892 2.467 . 0 0 "[ . 1 . 2]" 1
477 1 34 VAL H 1 34 VAL MG2 . . 4.150 3.841 3.730 3.894 . 0 0 "[ . 1 . 2]" 1
478 1 34 VAL H 1 35 THR H . . 5.080 4.301 4.146 4.489 . 0 0 "[ . 1 . 2]" 1
479 1 34 VAL H 1 63 GLY HA3 . . 4.740 3.691 3.084 4.029 . 0 0 "[ . 1 . 2]" 1
480 1 34 VAL H 1 64 TRP H . . 4.350 3.638 3.151 3.973 . 0 0 "[ . 1 . 2]" 1
481 1 34 VAL H 1 64 TRP HB2 . . 5.340 4.935 4.627 5.200 . 0 0 "[ . 1 . 2]" 1
482 1 34 VAL H 1 65 PHE HB3 . . 4.950 4.662 4.309 4.914 . 0 0 "[ . 1 . 2]" 1
483 1 34 VAL HB 1 35 THR H . . 4.160 4.087 3.911 4.173 0.013 19 0 "[ . 1 . 2]" 1
484 1 34 VAL HB 1 63 GLY H . . 4.480 3.603 3.082 3.787 . 0 0 "[ . 1 . 2]" 1
485 1 34 VAL HB 1 63 GLY HA2 . . 3.540 3.538 3.483 3.568 0.028 17 0 "[ . 1 . 2]" 1
486 1 34 VAL HB 1 63 GLY HA3 . . 3.210 1.982 1.945 1.998 . 0 0 "[ . 1 . 2]" 1
487 1 34 VAL HB 1 64 TRP H . . 4.860 4.137 4.028 4.291 . 0 0 "[ . 1 . 2]" 1
488 1 34 VAL MG1 1 35 THR H . . 4.420 4.101 3.991 4.235 . 0 0 "[ . 1 . 2]" 1
489 1 34 VAL MG1 1 35 THR HA . . 4.720 4.618 4.516 4.732 0.012 16 0 "[ . 1 . 2]" 1
490 1 34 VAL MG1 1 36 LEU H . . 5.130 5.111 4.987 5.171 0.041 19 0 "[ . 1 . 2]" 1
491 1 34 VAL MG1 1 36 LEU MD1 . . 3.160 2.886 2.736 3.096 . 0 0 "[ . 1 . 2]" 1
492 1 34 VAL MG1 1 36 LEU MD2 . . 3.350 2.269 2.086 2.465 . 0 0 "[ . 1 . 2]" 1
493 1 34 VAL MG1 1 36 LEU HG . . 3.410 3.059 2.942 3.307 . 0 0 "[ . 1 . 2]" 1
494 1 34 VAL MG1 1 63 GLY H . . 3.600 2.370 2.099 2.564 . 0 0 "[ . 1 . 2]" 1
495 1 34 VAL MG1 1 63 GLY HA2 . . 3.830 3.374 3.239 3.479 . 0 0 "[ . 1 . 2]" 1
496 1 34 VAL MG1 1 63 GLY HA3 . . 3.580 2.019 1.905 2.190 . 0 0 "[ . 1 . 2]" 1
497 1 34 VAL MG1 1 64 TRP H . . 4.530 2.967 2.698 3.236 . 0 0 "[ . 1 . 2]" 1
498 1 34 VAL MG1 1 65 PHE H . . 5.350 4.212 3.652 4.455 . 0 0 "[ . 1 . 2]" 1
499 1 34 VAL MG1 1 65 PHE HB2 . . 4.020 3.918 3.443 4.044 0.024 13 0 "[ . 1 . 2]" 1
500 1 34 VAL MG1 1 65 PHE HB3 . . 3.580 2.921 2.380 3.024 . 0 0 "[ . 1 . 2]" 1
501 1 34 VAL MG1 1 65 PHE QD . . 3.870 3.838 3.272 3.918 0.048 3 0 "[ . 1 . 2]" 1
502 1 34 VAL MG2 1 35 THR H . . 3.170 2.297 1.976 2.580 . 0 0 "[ . 1 . 2]" 1
503 1 34 VAL MG2 1 35 THR HA . . 4.320 3.994 3.767 4.159 . 0 0 "[ . 1 . 2]" 1
504 1 34 VAL MG2 1 35 THR HB . . 4.250 3.779 3.559 4.172 . 0 0 "[ . 1 . 2]" 1
505 1 34 VAL MG2 1 36 LEU MD1 . . 4.140 4.115 3.817 4.188 0.048 1 0 "[ . 1 . 2]" 1
506 1 34 VAL MG2 1 56 ARG HB2 . . 4.030 3.039 2.398 3.519 . 0 0 "[ . 1 . 2]" 1
507 1 34 VAL MG2 1 56 ARG HD2 . . 4.750 4.687 4.318 5.188 0.438 20 0 "[ . 1 . 2]" 1
508 1 34 VAL MG2 1 61 GLU H . . 5.240 4.422 3.770 4.669 . 0 0 "[ . 1 . 2]" 1
509 1 34 VAL MG2 1 61 GLU HA . . 4.280 4.226 3.993 4.410 0.130 17 0 "[ . 1 . 2]" 1
510 1 34 VAL MG2 1 61 GLU QB . . 3.240 1.952 1.751 2.665 . 0 0 "[ . 1 . 2]" 1
511 1 34 VAL MG2 1 61 GLU QG . . 3.610 3.048 1.788 3.300 . 0 0 "[ . 1 . 2]" 1
512 1 34 VAL MG2 1 62 THR H . . 4.550 4.376 4.178 4.618 0.068 19 0 "[ . 1 . 2]" 1
513 1 34 VAL MG2 1 62 THR HA . . 4.410 4.314 3.870 4.430 0.020 6 0 "[ . 1 . 2]" 1
514 1 34 VAL MG2 1 63 GLY HA3 . . 3.930 3.528 3.448 3.654 . 0 0 "[ . 1 . 2]" 1
515 1 35 THR H 1 35 THR HB . . 2.820 2.422 2.327 2.698 . 0 0 "[ . 1 . 2]" 1
516 1 35 THR H 1 35 THR MG . . 4.110 3.685 3.613 3.711 . 0 0 "[ . 1 . 2]" 1
517 1 35 THR H 1 36 LEU H . . 5.100 4.599 4.563 4.618 . 0 0 "[ . 1 . 2]" 1
518 1 35 THR H 1 36 LEU MD2 . . 4.680 4.414 4.243 4.721 0.041 17 0 "[ . 1 . 2]" 1
519 1 35 THR HA 1 35 THR MG . . 3.030 2.389 2.204 2.469 . 0 0 "[ . 1 . 2]" 1
520 1 35 THR HA 1 36 LEU H . . 2.940 2.185 2.164 2.205 . 0 0 "[ . 1 . 2]" 1
521 1 35 THR HB 1 36 LEU H . . 4.590 4.228 3.999 4.322 . 0 0 "[ . 1 . 2]" 1
522 1 35 THR MG 1 36 LEU H . . 3.250 2.536 2.415 2.849 . 0 0 "[ . 1 . 2]" 1
523 1 35 THR MG 1 36 LEU HG . . 4.520 4.555 4.518 4.660 0.140 19 0 "[ . 1 . 2]" 1
524 1 35 THR MG 1 37 GLN HE21 . . 4.390 3.217 2.775 3.761 . 0 0 "[ . 1 . 2]" 1
525 1 35 THR MG 1 37 GLN HE22 . . 4.580 4.114 3.501 4.566 . 0 0 "[ . 1 . 2]" 1
526 1 35 THR MG 1 37 GLN QG . . 4.440 3.883 3.584 4.336 . 0 0 "[ . 1 . 2]" 1
527 1 36 LEU H 1 36 LEU HB2 . . 3.810 2.856 2.816 2.897 . 0 0 "[ . 1 . 2]" 1
528 1 36 LEU H 1 36 LEU MD1 . . 4.970 3.714 3.311 3.889 . 0 0 "[ . 1 . 2]" 1
529 1 36 LEU H 1 36 LEU MD2 . . 4.370 3.825 3.718 3.942 . 0 0 "[ . 1 . 2]" 1
530 1 36 LEU H 1 36 LEU HG . . 4.080 2.664 2.516 2.774 . 0 0 "[ . 1 . 2]" 1
531 1 36 LEU H 1 37 GLN HA . . 5.170 4.697 4.644 4.759 . 0 0 "[ . 1 . 2]" 1
532 1 36 LEU HA 1 36 LEU MD1 . . 4.410 3.999 3.980 4.020 . 0 0 "[ . 1 . 2]" 1
533 1 36 LEU HA 1 36 LEU MD2 . . 3.010 2.553 2.297 2.844 . 0 0 "[ . 1 . 2]" 1
534 1 36 LEU HA 1 36 LEU HG . . 4.060 3.112 3.000 3.182 . 0 0 "[ . 1 . 2]" 1
535 1 36 LEU HA 1 37 GLN H . . 3.090 2.498 2.411 2.633 . 0 0 "[ . 1 . 2]" 1
536 1 36 LEU HA 1 37 GLN QG . . 4.740 3.759 3.485 4.656 . 0 0 "[ . 1 . 2]" 1
537 1 36 LEU HB2 1 36 LEU MD1 . . 3.360 2.099 1.986 2.152 . 0 0 "[ . 1 . 2]" 1
538 1 36 LEU HB2 1 37 GLN H . . 4.250 3.342 3.006 3.542 . 0 0 "[ . 1 . 2]" 1
539 1 36 LEU HB2 1 40 ASP HB2 . . 4.720 4.126 3.826 4.292 . 0 0 "[ . 1 . 2]" 1
540 1 36 LEU HB3 1 36 LEU MD1 . . 3.560 2.648 2.585 2.805 . 0 0 "[ . 1 . 2]" 1
541 1 36 LEU HB3 1 36 LEU MD2 . . 3.620 2.156 1.997 2.310 . 0 0 "[ . 1 . 2]" 1
542 1 36 LEU HB3 1 37 GLN H . . 3.890 2.533 2.371 2.686 . 0 0 "[ . 1 . 2]" 1
543 1 36 LEU HB3 1 56 ARG HD2 . . 4.610 4.041 3.400 4.922 0.312 20 0 "[ . 1 . 2]" 1
544 1 36 LEU MD1 1 42 VAL MG1 . . 4.050 3.679 3.317 3.896 . 0 0 "[ . 1 . 2]" 1
545 1 36 LEU MD1 1 42 VAL MG2 . . 3.250 2.574 2.178 2.915 . 0 0 "[ . 1 . 2]" 1
546 1 36 LEU MD1 1 65 PHE HB2 . . 3.830 2.071 1.877 2.180 . 0 0 "[ . 1 . 2]" 1
547 1 36 LEU MD1 1 65 PHE HB3 . . 3.620 2.563 2.378 2.896 . 0 0 "[ . 1 . 2]" 1
548 1 36 LEU MD1 1 65 PHE QD . . 4.180 3.563 3.427 3.643 . 0 0 "[ . 1 . 2]" 1
549 1 36 LEU MD2 1 37 GLN H . . 3.890 3.889 3.814 3.925 0.035 19 0 "[ . 1 . 2]" 1
550 1 36 LEU MD2 1 40 ASP HB2 . . 4.090 4.079 3.925 4.128 0.038 16 0 "[ . 1 . 2]" 1
551 1 36 LEU MD2 1 40 ASP HB3 . . 3.840 3.657 3.447 3.852 0.012 16 0 "[ . 1 . 2]" 1
552 1 36 LEU MD2 1 42 VAL MG2 . . 3.170 2.064 1.693 2.324 . 0 0 "[ . 1 . 2]" 1
553 1 36 LEU MD2 1 56 ARG HA . . 4.490 3.873 3.477 4.050 . 0 0 "[ . 1 . 2]" 1
554 1 36 LEU MD2 1 56 ARG HB2 . . 3.410 2.766 2.084 3.063 . 0 0 "[ . 1 . 2]" 1
555 1 36 LEU MD2 1 56 ARG HB3 . . 4.250 3.984 3.141 4.297 0.047 11 0 "[ . 1 . 2]" 1
556 1 36 LEU MD2 1 56 ARG HD2 . . 3.500 3.102 2.828 3.652 0.152 20 0 "[ . 1 . 2]" 1
557 1 36 LEU MD2 1 56 ARG HD3 . . 3.770 1.843 1.762 2.236 . 0 0 "[ . 1 . 2]" 1
558 1 36 LEU MD2 1 56 ARG QG . . 4.440 2.867 2.454 3.593 . 0 0 "[ . 1 . 2]" 1
559 1 36 LEU MD2 1 56 ARG QH2 . . 4.440 4.487 3.770 4.961 0.521 17 1 "[ . 1 . + 2]" 1
560 1 37 GLN H 1 37 GLN HB2 . . 3.450 2.491 2.284 2.666 . 0 0 "[ . 1 . 2]" 1
561 1 37 GLN H 1 37 GLN HB3 . . 3.810 3.648 3.470 3.766 . 0 0 "[ . 1 . 2]" 1
562 1 37 GLN H 1 37 GLN QG . . 3.910 3.184 2.853 3.618 . 0 0 "[ . 1 . 2]" 1
563 1 37 GLN H 1 40 ASP HB2 . . 4.440 2.701 2.305 3.080 . 0 0 "[ . 1 . 2]" 1
564 1 37 GLN H 1 40 ASP HB3 . . 4.690 3.302 3.036 3.509 . 0 0 "[ . 1 . 2]" 1
565 1 37 GLN HA 1 37 GLN QG . . 3.440 2.625 2.013 2.811 . 0 0 "[ . 1 . 2]" 1
566 1 37 GLN HA 1 38 GLN H . . 2.920 2.584 2.469 2.656 . 0 0 "[ . 1 . 2]" 1
567 1 37 GLN HB2 1 38 GLN H . . 3.880 3.664 3.456 3.891 0.011 16 0 "[ . 1 . 2]" 1
568 1 37 GLN HB3 1 38 GLN H . . 3.460 2.291 2.137 2.536 . 0 0 "[ . 1 . 2]" 1
569 1 37 GLN QG 1 38 GLN H . . 4.400 4.031 3.219 4.263 . 0 0 "[ . 1 . 2]" 1
570 1 38 GLN H 1 38 GLN HB2 . . 3.180 2.597 2.508 2.663 . 0 0 "[ . 1 . 2]" 1
571 1 38 GLN H 1 38 GLN HB3 . . 3.210 2.387 2.362 2.438 . 0 0 "[ . 1 . 2]" 1
572 1 38 GLN H 1 38 GLN QG . . 4.380 3.943 3.912 3.988 . 0 0 "[ . 1 . 2]" 1
573 1 38 GLN H 1 39 ALA H . . 4.860 4.571 4.549 4.593 . 0 0 "[ . 1 . 2]" 1
574 1 38 GLN HA 1 38 GLN QG . . 3.150 2.461 2.409 2.535 . 0 0 "[ . 1 . 2]" 1
575 1 38 GLN HA 1 39 ALA H . . 2.670 2.220 2.211 2.234 . 0 0 "[ . 1 . 2]" 1
576 1 38 GLN HA 1 39 ALA MB . . 4.200 4.005 3.985 4.037 . 0 0 "[ . 1 . 2]" 1
577 1 38 GLN HA 1 40 ASP H . . 3.890 3.862 3.693 3.926 0.036 16 0 "[ . 1 . 2]" 1
578 1 38 GLN HB2 1 39 ALA H . . 4.210 4.261 4.223 4.302 0.092 17 0 "[ . 1 . 2]" 1
579 1 38 GLN HB3 1 39 ALA H . . 4.430 4.324 4.269 4.368 . 0 0 "[ . 1 . 2]" 1
580 1 38 GLN HB3 1 39 ALA MB . . 3.760 3.802 3.773 3.827 0.067 19 0 "[ . 1 . 2]" 1
581 1 38 GLN HE21 1 39 ALA MB . . 5.410 4.577 2.554 5.369 . 0 0 "[ . 1 . 2]" 1
582 1 38 GLN QG 1 39 ALA H . . 3.650 2.569 2.341 2.773 . 0 0 "[ . 1 . 2]" 1
583 1 38 GLN QG 1 39 ALA HA . . 3.970 3.826 3.719 3.900 . 0 0 "[ . 1 . 2]" 1
584 1 38 GLN QG 1 39 ALA MB . . 3.390 2.593 2.325 2.995 . 0 0 "[ . 1 . 2]" 1
585 1 39 ALA H 1 39 ALA HA . . 2.790 2.217 2.214 2.223 . 0 0 "[ . 1 . 2]" 1
586 1 39 ALA H 1 39 ALA MB . . 3.330 2.932 2.913 2.950 . 0 0 "[ . 1 . 2]" 1
587 1 39 ALA H 1 40 ASP H . . 3.720 2.576 2.509 2.637 . 0 0 "[ . 1 . 2]" 1
588 1 39 ALA MB 1 40 ASP H . . 3.800 3.778 3.756 3.784 . 0 0 "[ . 1 . 2]" 1
589 1 39 ALA MB 1 40 ASP HA . . 4.660 4.143 4.136 4.156 . 0 0 "[ . 1 . 2]" 1
590 1 40 ASP H 1 40 ASP HB2 . . 3.400 2.338 2.250 2.392 . 0 0 "[ . 1 . 2]" 1
591 1 40 ASP H 1 40 ASP HB3 . . 3.730 3.554 3.479 3.604 . 0 0 "[ . 1 . 2]" 1
592 1 40 ASP HA 1 41 VAL H . . 2.910 2.336 2.262 2.686 . 0 0 "[ . 1 . 2]" 1
593 1 40 ASP HA 1 41 VAL MG2 . . 3.910 3.467 3.268 3.859 . 0 0 "[ . 1 . 2]" 1
594 1 40 ASP HB2 1 41 VAL H . . 4.410 4.219 3.611 4.398 . 0 0 "[ . 1 . 2]" 1
595 1 40 ASP HB2 1 42 VAL MG2 . . 3.960 3.919 3.722 4.011 0.051 19 0 "[ . 1 . 2]" 1
596 1 40 ASP HB3 1 41 VAL H . . 3.840 3.089 2.123 3.402 . 0 0 "[ . 1 . 2]" 1
597 1 40 ASP HB3 1 42 VAL MG2 . . 3.510 3.173 3.074 3.350 . 0 0 "[ . 1 . 2]" 1
598 1 40 ASP HB3 1 56 ARG HD2 . . 4.230 3.533 3.045 3.960 . 0 0 "[ . 1 . 2]" 1
599 1 40 ASP HB3 1 56 ARG HD3 . . 4.110 4.065 3.328 4.242 0.132 6 0 "[ . 1 . 2]" 1
600 1 40 ASP HB3 1 56 ARG QG . . 4.220 3.284 2.947 4.012 . 0 0 "[ . 1 . 2]" 1
601 1 41 VAL H 1 41 VAL HB . . 3.170 2.444 2.293 2.715 . 0 0 "[ . 1 . 2]" 1
602 1 41 VAL H 1 41 VAL MG1 . . 3.940 3.752 3.677 3.884 . 0 0 "[ . 1 . 2]" 1
603 1 41 VAL H 1 41 VAL MG2 . . 3.170 2.410 2.098 2.856 . 0 0 "[ . 1 . 2]" 1
604 1 41 VAL H 1 42 VAL H . . 5.090 4.548 4.342 4.598 . 0 0 "[ . 1 . 2]" 1
605 1 41 VAL H 1 42 VAL MG2 . . 4.490 4.029 3.445 4.290 . 0 0 "[ . 1 . 2]" 1
606 1 41 VAL HA 1 41 VAL MG1 . . 3.020 2.354 2.270 2.499 . 0 0 "[ . 1 . 2]" 1
607 1 41 VAL HA 1 41 VAL MG2 . . 2.930 2.403 2.206 2.502 . 0 0 "[ . 1 . 2]" 1
608 1 41 VAL HA 1 42 VAL H . . 2.970 2.251 2.201 2.294 . 0 0 "[ . 1 . 2]" 1
609 1 41 VAL HA 1 42 VAL HB . . 4.460 4.312 4.266 4.375 . 0 0 "[ . 1 . 2]" 1
610 1 41 VAL HA 1 42 VAL MG2 . . 3.950 3.714 3.606 3.964 0.014 18 0 "[ . 1 . 2]" 1
611 1 41 VAL HB 1 42 VAL H . . 4.440 4.098 3.962 4.287 . 0 0 "[ . 1 . 2]" 1
612 1 41 VAL HB 1 57 LEU QB . . 3.920 3.145 2.730 3.716 . 0 0 "[ . 1 . 2]" 1
613 1 41 VAL HB 1 57 LEU QD . . 3.600 2.940 2.507 3.443 . 0 0 "[ . 1 . 2]" 1
614 1 41 VAL MG1 1 42 VAL H . . 3.160 2.403 2.202 2.597 . 0 0 "[ . 1 . 2]" 1
615 1 41 VAL MG1 1 42 VAL HA . . 4.440 3.608 3.419 3.793 . 0 0 "[ . 1 . 2]" 1
616 1 41 VAL MG1 1 57 LEU QB . . 3.460 3.356 3.104 3.542 0.082 18 0 "[ . 1 . 2]" 1
617 1 41 VAL MG2 1 42 VAL H . . 4.370 4.039 3.880 4.141 . 0 0 "[ . 1 . 2]" 1
618 1 42 VAL H 1 42 VAL HB . . 3.330 2.651 2.466 2.742 . 0 0 "[ . 1 . 2]" 1
619 1 42 VAL H 1 42 VAL MG1 . . 4.230 3.777 3.682 3.806 . 0 0 "[ . 1 . 2]" 1
620 1 42 VAL H 1 42 VAL MG2 . . 3.380 3.142 3.046 3.276 . 0 0 "[ . 1 . 2]" 1
621 1 42 VAL HA 1 42 VAL MG1 . . 3.200 2.526 2.443 2.561 . 0 0 "[ . 1 . 2]" 1
622 1 42 VAL HA 1 42 VAL MG2 . . 3.070 2.304 2.168 2.379 . 0 0 "[ . 1 . 2]" 1
623 1 42 VAL HA 1 43 LEU H . . 3.020 2.215 2.197 2.249 . 0 0 "[ . 1 . 2]" 1
624 1 42 VAL HA 1 43 LEU HB2 . . 4.650 4.371 4.326 4.484 . 0 0 "[ . 1 . 2]" 1
625 1 42 VAL HA 1 43 LEU HB3 . . 4.650 4.642 4.517 4.694 0.044 17 0 "[ . 1 . 2]" 1
626 1 42 VAL HA 1 55 GLU H . . 4.960 4.246 4.106 4.553 . 0 0 "[ . 1 . 2]" 1
627 1 42 VAL HA 1 56 ARG HA . . 3.150 2.299 2.037 2.454 . 0 0 "[ . 1 . 2]" 1
628 1 42 VAL HA 1 57 LEU H . . 3.640 2.647 2.475 2.908 . 0 0 "[ . 1 . 2]" 1
629 1 42 VAL HA 1 57 LEU QB . . 4.620 4.239 3.932 4.414 . 0 0 "[ . 1 . 2]" 1
630 1 42 VAL HA 1 57 LEU QD . . 4.340 2.379 2.116 3.266 . 0 0 "[ . 1 . 2]" 1
631 1 42 VAL HB 1 43 LEU H . . 4.570 4.310 4.248 4.368 . 0 0 "[ . 1 . 2]" 1
632 1 42 VAL HB 1 65 PHE QD . . 4.630 4.210 4.018 4.317 . 0 0 "[ . 1 . 2]" 1
633 1 42 VAL HB 1 65 PHE QE . . 3.950 3.946 3.857 3.976 0.026 13 0 "[ . 1 . 2]" 1
634 1 42 VAL MG1 1 43 LEU H . . 3.140 2.631 2.317 2.776 . 0 0 "[ . 1 . 2]" 1
635 1 42 VAL MG1 1 44 VAL H . . 4.970 3.878 3.803 4.046 . 0 0 "[ . 1 . 2]" 1
636 1 42 VAL MG1 1 44 VAL HA . . 3.970 3.405 3.338 3.517 . 0 0 "[ . 1 . 2]" 1
637 1 42 VAL MG1 1 45 LEU H . . 5.230 4.926 4.834 5.119 . 0 0 "[ . 1 . 2]" 1
638 1 42 VAL MG1 1 54 GLY H . . 4.120 3.675 3.584 3.867 . 0 0 "[ . 1 . 2]" 1
639 1 42 VAL MG1 1 54 GLY HA3 . . 3.040 2.262 2.182 2.380 . 0 0 "[ . 1 . 2]" 1
640 1 42 VAL MG1 1 55 GLU H . . 3.240 2.621 2.362 2.752 . 0 0 "[ . 1 . 2]" 1
641 1 42 VAL MG1 1 55 GLU HA . . 3.470 3.378 3.192 3.485 0.015 18 0 "[ . 1 . 2]" 1
642 1 42 VAL MG1 1 56 ARG H . . 4.870 3.325 2.994 3.691 . 0 0 "[ . 1 . 2]" 1
643 1 42 VAL MG1 1 56 ARG HA . . 3.740 2.913 2.605 3.172 . 0 0 "[ . 1 . 2]" 1
644 1 42 VAL MG1 1 56 ARG HB2 . . 4.440 3.834 3.396 4.162 . 0 0 "[ . 1 . 2]" 1
645 1 42 VAL MG1 1 57 LEU H . . 4.930 4.315 4.015 4.537 . 0 0 "[ . 1 . 2]" 1
646 1 42 VAL MG1 1 65 PHE QD . . 3.040 2.290 2.144 2.511 . 0 0 "[ . 1 . 2]" 1
647 1 42 VAL MG1 1 65 PHE QE . . 3.290 2.438 2.303 2.633 . 0 0 "[ . 1 . 2]" 1
648 1 42 VAL MG2 1 43 LEU H . . 3.960 3.925 3.812 3.977 0.017 1 0 "[ . 1 . 2]" 1
649 1 42 VAL MG2 1 55 GLU HA . . 4.660 4.691 4.674 4.760 0.100 18 0 "[ . 1 . 2]" 1
650 1 42 VAL MG2 1 56 ARG H . . 5.180 3.572 3.190 3.806 . 0 0 "[ . 1 . 2]" 1
651 1 42 VAL MG2 1 56 ARG HA . . 3.170 2.113 1.938 2.268 . 0 0 "[ . 1 . 2]" 1
652 1 42 VAL MG2 1 56 ARG HB2 . . 3.720 2.779 1.967 3.103 . 0 0 "[ . 1 . 2]" 1
653 1 42 VAL MG2 1 56 ARG HB3 . . 4.400 3.964 3.410 4.218 . 0 0 "[ . 1 . 2]" 1
654 1 42 VAL MG2 1 56 ARG HD2 . . 4.700 3.991 3.551 4.326 . 0 0 "[ . 1 . 2]" 1
655 1 42 VAL MG2 1 56 ARG HD3 . . 4.680 3.243 2.692 3.690 . 0 0 "[ . 1 . 2]" 1
656 1 42 VAL MG2 1 56 ARG QG . . 4.270 2.271 1.968 2.803 . 0 0 "[ . 1 . 2]" 1
657 1 42 VAL MG2 1 57 LEU H . . 4.010 3.534 3.215 3.721 . 0 0 "[ . 1 . 2]" 1
658 1 42 VAL MG2 1 65 PHE QD . . 4.120 4.011 3.870 4.140 0.020 19 0 "[ . 1 . 2]" 1
659 1 43 LEU H 1 43 LEU HB2 . . 3.330 2.608 2.556 2.725 . 0 0 "[ . 1 . 2]" 1
660 1 43 LEU H 1 43 LEU HB3 . . 3.330 2.463 2.352 2.500 . 0 0 "[ . 1 . 2]" 1
661 1 43 LEU H 1 43 LEU MD2 . . 4.360 4.198 4.102 4.250 . 0 0 "[ . 1 . 2]" 1
662 1 43 LEU H 1 54 GLY HA3 . . 5.160 4.225 4.143 4.359 . 0 0 "[ . 1 . 2]" 1
663 1 43 LEU H 1 55 GLU H . . 3.910 2.607 2.512 2.780 . 0 0 "[ . 1 . 2]" 1
664 1 43 LEU H 1 56 ARG HA . . 4.220 3.533 3.328 3.694 . 0 0 "[ . 1 . 2]" 1
665 1 43 LEU H 1 57 LEU H . . 4.050 3.523 3.073 4.112 0.062 18 0 "[ . 1 . 2]" 1
666 1 43 LEU H 1 57 LEU HA . . 5.210 5.035 4.833 5.126 . 0 0 "[ . 1 . 2]" 1
667 1 43 LEU H 1 57 LEU QD . . 3.900 2.093 1.875 3.160 . 0 0 "[ . 1 . 2]" 1
668 1 43 LEU H 1 57 LEU HG . . 4.730 4.453 2.650 4.803 0.073 17 0 "[ . 1 . 2]" 1
669 1 43 LEU HA 1 43 LEU MD1 . . 3.230 2.358 2.118 2.566 . 0 0 "[ . 1 . 2]" 1
670 1 43 LEU HA 1 43 LEU HG . . 4.150 2.856 2.723 3.042 . 0 0 "[ . 1 . 2]" 1
671 1 43 LEU HA 1 44 VAL H . . 3.040 2.184 2.182 2.185 . 0 0 "[ . 1 . 2]" 1
672 1 43 LEU HA 1 44 VAL MG2 . . 3.790 3.802 3.706 3.818 0.028 7 0 "[ . 1 . 2]" 1
673 1 43 LEU HB2 1 43 LEU MD2 . . 3.090 2.588 2.386 2.717 . 0 0 "[ . 1 . 2]" 1
674 1 43 LEU HB2 1 55 GLU H . . 4.090 4.190 4.165 4.223 0.133 17 0 "[ . 1 . 2]" 1
675 1 43 LEU HB3 1 43 LEU MD1 . . 3.100 3.175 3.128 3.219 0.119 13 0 "[ . 1 . 2]" 1
676 1 43 LEU HB3 1 43 LEU MD2 . . 3.440 2.120 1.989 2.331 . 0 0 "[ . 1 . 2]" 1
677 1 43 LEU HB3 1 55 GLU H . . 4.170 2.828 2.758 2.894 . 0 0 "[ . 1 . 2]" 1
678 1 43 LEU MD1 1 44 VAL H . . 3.630 3.362 2.886 3.633 0.003 4 0 "[ . 1 . 2]" 1
679 1 43 LEU HG 1 44 VAL H . . 3.630 3.423 3.295 3.633 0.003 13 0 "[ . 1 . 2]" 1
680 1 44 VAL H 1 44 VAL HB . . 3.180 2.382 2.342 2.421 . 0 0 "[ . 1 . 2]" 1
681 1 44 VAL H 1 44 VAL MG1 . . 3.910 3.696 3.691 3.705 . 0 0 "[ . 1 . 2]" 1
682 1 44 VAL H 1 44 VAL MG2 . . 2.980 2.203 2.145 2.244 . 0 0 "[ . 1 . 2]" 1
683 1 44 VAL HA 1 44 VAL MG1 . . 3.070 2.478 2.376 2.513 . 0 0 "[ . 1 . 2]" 1
684 1 44 VAL HA 1 44 VAL MG2 . . 3.010 2.257 2.247 2.309 . 0 0 "[ . 1 . 2]" 1
685 1 44 VAL HA 1 45 LEU H . . 2.800 2.257 2.229 2.302 . 0 0 "[ . 1 . 2]" 1
686 1 44 VAL HA 1 45 LEU QB . . 4.090 4.222 4.196 4.299 0.209 17 0 "[ . 1 . 2]" 1
687 1 44 VAL HA 1 45 LEU HG . . 4.020 4.015 3.785 4.064 0.044 18 0 "[ . 1 . 2]" 1
688 1 44 VAL HA 1 46 GLN H . . 3.910 3.941 3.922 4.000 0.090 9 0 "[ . 1 . 2]" 1
689 1 44 VAL HA 1 54 GLY H . . 4.590 4.161 4.100 4.290 . 0 0 "[ . 1 . 2]" 1
690 1 44 VAL HA 1 54 GLY HA2 . . 3.650 2.390 2.311 2.518 . 0 0 "[ . 1 . 2]" 1
691 1 44 VAL HA 1 55 GLU H . . 4.680 3.878 3.810 3.943 . 0 0 "[ . 1 . 2]" 1
692 1 44 VAL HB 1 45 LEU H . . 4.840 4.134 3.984 4.211 . 0 0 "[ . 1 . 2]" 1
693 1 44 VAL MG1 1 45 LEU H . . 3.450 2.217 2.101 2.404 . 0 0 "[ . 1 . 2]" 1
694 1 44 VAL MG1 1 45 LEU HA . . 4.330 3.594 3.450 3.780 . 0 0 "[ . 1 . 2]" 1
695 1 44 VAL MG1 1 45 LEU QB . . 4.210 4.111 4.079 4.246 0.036 13 0 "[ . 1 . 2]" 1
696 1 44 VAL MG1 1 46 GLN H . . 3.310 2.702 2.628 2.827 . 0 0 "[ . 1 . 2]" 1
697 1 44 VAL MG1 1 46 GLN HA . . 4.020 3.784 3.726 3.898 . 0 0 "[ . 1 . 2]" 1
698 1 44 VAL MG1 1 47 GLN H . . 4.710 3.738 3.523 4.060 . 0 0 "[ . 1 . 2]" 1
699 1 44 VAL MG1 1 47 GLN HB2 . . 3.720 3.701 3.529 3.739 0.019 17 0 "[ . 1 . 2]" 1
700 1 44 VAL MG1 1 47 GLN QG . . 3.070 1.862 1.760 2.037 . 0 0 "[ . 1 . 2]" 1
701 1 44 VAL MG1 1 52 LEU HA . . 4.290 3.907 3.762 4.158 . 0 0 "[ . 1 . 2]" 1
702 1 44 VAL MG1 1 52 LEU HB2 . . 4.070 4.029 3.819 4.088 0.018 13 0 "[ . 1 . 2]" 1
703 1 44 VAL MG1 1 53 TYR H . . 3.820 3.511 3.261 3.773 . 0 0 "[ . 1 . 2]" 1
704 1 44 VAL MG1 1 72 PHE QE . . 4.170 4.093 3.878 4.177 0.007 7 0 "[ . 1 . 2]" 1
705 1 44 VAL MG1 1 72 PHE HZ . . 4.070 4.032 3.616 4.079 0.009 7 0 "[ . 1 . 2]" 1
706 1 44 VAL MG2 1 45 LEU H . . 4.070 3.951 3.901 3.982 . 0 0 "[ . 1 . 2]" 1
707 1 44 VAL MG2 1 65 PHE QD . . 4.140 4.167 4.147 4.182 0.042 9 0 "[ . 1 . 2]" 1
708 1 44 VAL MG2 1 65 PHE QE . . 3.650 2.040 1.994 2.106 . 0 0 "[ . 1 . 2]" 1
709 1 44 VAL MG2 1 65 PHE HZ . . 3.570 1.867 1.793 1.900 . 0 0 "[ . 1 . 2]" 1
710 1 44 VAL MG2 1 72 PHE QE . . 3.970 3.639 3.347 3.883 . 0 0 "[ . 1 . 2]" 1
711 1 45 LEU H 1 45 LEU QB . . 3.300 2.467 2.442 2.567 . 0 0 "[ . 1 . 2]" 1
712 1 45 LEU H 1 45 LEU MD1 . . 4.050 3.829 3.612 3.936 . 0 0 "[ . 1 . 2]" 1
713 1 45 LEU H 1 45 LEU MD2 . . 4.360 4.283 4.251 4.348 . 0 0 "[ . 1 . 2]" 1
714 1 45 LEU H 1 45 LEU HG . . 3.540 3.293 3.198 3.359 . 0 0 "[ . 1 . 2]" 1
715 1 45 LEU H 1 46 GLN H . . 3.170 1.887 1.843 1.943 . 0 0 "[ . 1 . 2]" 1
716 1 45 LEU H 1 53 TYR HB3 . . 5.230 3.364 3.227 3.528 . 0 0 "[ . 1 . 2]" 1
717 1 45 LEU H 1 53 TYR QD . . 4.470 3.596 3.428 3.803 . 0 0 "[ . 1 . 2]" 1
718 1 45 LEU H 1 54 GLY H . . 4.310 3.964 3.887 4.161 . 0 0 "[ . 1 . 2]" 1
719 1 45 LEU H 1 54 GLY HA2 . . 4.010 2.201 1.994 2.490 . 0 0 "[ . 1 . 2]" 1
720 1 45 LEU H 1 54 GLY HA3 . . 4.150 3.246 3.115 3.458 . 0 0 "[ . 1 . 2]" 1
721 1 45 LEU H 1 55 GLU H . . 5.020 4.733 4.570 4.958 . 0 0 "[ . 1 . 2]" 1
722 1 45 LEU HA 1 45 LEU MD1 . . 3.990 3.862 3.856 3.880 . 0 0 "[ . 1 . 2]" 1
723 1 45 LEU HA 1 45 LEU MD2 . . 2.870 2.341 2.234 2.578 . 0 0 "[ . 1 . 2]" 1
724 1 45 LEU HA 1 45 LEU HG . . 3.640 2.683 2.619 2.717 . 0 0 "[ . 1 . 2]" 1
725 1 45 LEU QB 1 45 LEU MD1 . . 2.590 2.025 1.920 2.089 . 0 0 "[ . 1 . 2]" 1
726 1 45 LEU QB 1 45 LEU MD2 . . 2.590 2.159 2.023 2.237 . 0 0 "[ . 1 . 2]" 1
727 1 45 LEU QB 1 46 GLN H . . 3.580 2.716 2.682 2.735 . 0 0 "[ . 1 . 2]" 1
728 1 45 LEU QB 1 53 TYR QD . . 2.880 2.102 2.002 2.269 . 0 0 "[ . 1 . 2]" 1
729 1 45 LEU QB 1 53 TYR QE . . 3.680 2.928 2.773 3.183 . 0 0 "[ . 1 . 2]" 1
730 1 45 LEU QB 1 54 GLY H . . 5.100 4.017 3.927 4.276 . 0 0 "[ . 1 . 2]" 1
731 1 45 LEU QB 1 54 GLY HA2 . . 4.080 2.640 2.537 3.008 . 0 0 "[ . 1 . 2]" 1
732 1 45 LEU MD1 1 46 GLN H . . 4.650 4.489 4.230 4.567 . 0 0 "[ . 1 . 2]" 1
733 1 45 LEU MD1 1 53 TYR QD . . 3.400 3.298 3.038 3.406 0.006 18 0 "[ . 1 . 2]" 1
734 1 45 LEU MD1 1 53 TYR QE . . 3.070 2.573 2.445 2.896 . 0 0 "[ . 1 . 2]" 1
735 1 45 LEU MD1 1 54 GLY H . . 4.410 3.869 3.579 3.977 . 0 0 "[ . 1 . 2]" 1
736 1 45 LEU MD1 1 54 GLY HA2 . . 3.570 2.617 2.150 2.753 . 0 0 "[ . 1 . 2]" 1
737 1 45 LEU MD1 1 54 GLY HA3 . . 3.910 3.813 3.450 3.922 0.012 3 0 "[ . 1 . 2]" 1
738 1 45 LEU MD1 1 55 GLU H . . 4.070 2.913 2.728 3.066 . 0 0 "[ . 1 . 2]" 1
739 1 45 LEU MD2 1 53 TYR QD . . 4.540 4.550 4.538 4.568 0.028 19 0 "[ . 1 . 2]" 1
740 1 45 LEU MD2 1 53 TYR QE . . 4.390 4.333 4.215 4.404 0.014 19 0 "[ . 1 . 2]" 1
741 1 45 LEU MD2 1 54 GLY HA2 . . 4.140 4.144 4.116 4.160 0.020 13 0 "[ . 1 . 2]" 1
742 1 45 LEU MD2 1 55 GLU H . . 4.590 4.602 4.495 4.642 0.052 19 0 "[ . 1 . 2]" 1
743 1 45 LEU HG 1 54 GLY HA2 . . 3.690 2.554 2.508 2.648 . 0 0 "[ . 1 . 2]" 1
744 1 45 LEU HG 1 54 GLY HA3 . . 4.090 4.051 3.991 4.131 0.041 17 0 "[ . 1 . 2]" 1
745 1 46 GLN H 1 46 GLN HB2 . . 4.160 2.676 2.612 2.702 . 0 0 "[ . 1 . 2]" 1
746 1 46 GLN H 1 46 GLN HG2 . . 5.000 4.930 4.890 4.971 . 0 0 "[ . 1 . 2]" 1
747 1 46 GLN H 1 46 GLN HG3 . . 5.040 4.088 3.968 4.147 . 0 0 "[ . 1 . 2]" 1
748 1 46 GLN H 1 53 TYR H . . 3.650 3.241 3.032 3.352 . 0 0 "[ . 1 . 2]" 1
749 1 46 GLN H 1 53 TYR HB2 . . 4.210 3.706 3.635 3.855 . 0 0 "[ . 1 . 2]" 1
750 1 46 GLN H 1 53 TYR HB3 . . 3.590 1.981 1.937 2.133 . 0 0 "[ . 1 . 2]" 1
751 1 46 GLN H 1 53 TYR QD . . 4.170 2.672 2.523 2.894 . 0 0 "[ . 1 . 2]" 1
752 1 46 GLN HA 1 46 GLN HG2 . . 4.140 3.000 2.835 3.197 . 0 0 "[ . 1 . 2]" 1
753 1 46 GLN HA 1 47 GLN H . . 3.000 2.208 2.202 2.246 . 0 0 "[ . 1 . 2]" 1
754 1 46 GLN HB2 1 53 TYR HB2 . . 4.080 3.279 2.991 3.477 . 0 0 "[ . 1 . 2]" 1
755 1 46 GLN HB2 1 64 TRP HH2 . . 4.120 3.973 3.631 4.128 0.008 19 0 "[ . 1 . 2]" 1
756 1 46 GLN HB2 1 64 TRP HZ2 . . 4.640 4.229 3.894 4.525 . 0 0 "[ . 1 . 2]" 1
757 1 46 GLN HB3 1 47 GLN H . . 3.900 3.675 3.403 3.821 . 0 0 "[ . 1 . 2]" 1
758 1 46 GLN HB3 1 53 TYR HB2 . . 3.910 3.517 3.264 3.757 . 0 0 "[ . 1 . 2]" 1
759 1 46 GLN HB3 1 53 TYR HB3 . . 3.700 2.963 2.827 3.227 . 0 0 "[ . 1 . 2]" 1
760 1 46 GLN HB3 1 53 TYR QD . . 4.350 3.751 3.601 3.998 . 0 0 "[ . 1 . 2]" 1
761 1 46 GLN HB3 1 64 TRP HZ2 . . 4.610 3.879 3.542 4.179 . 0 0 "[ . 1 . 2]" 1
762 1 46 GLN HE22 1 53 TYR QD . . 4.310 3.875 3.244 4.439 0.129 2 0 "[ . 1 . 2]" 1
763 1 46 GLN HG2 1 47 GLN H . . 4.640 4.226 3.814 4.631 . 0 0 "[ . 1 . 2]" 1
764 1 46 GLN HG2 1 64 TRP HH2 . . 4.420 4.406 4.301 4.426 0.006 5 0 "[ . 1 . 2]" 1
765 1 46 GLN HG3 1 47 GLN H . . 4.230 3.925 3.785 4.043 . 0 0 "[ . 1 . 2]" 1
766 1 46 GLN HG3 1 53 TYR QD . . 4.370 4.320 4.204 4.372 0.002 1 0 "[ . 1 . 2]" 1
767 1 47 GLN H 1 47 GLN HB2 . . 3.800 2.226 2.154 2.343 . 0 0 "[ . 1 . 2]" 1
768 1 47 GLN H 1 47 GLN HB3 . . 3.750 3.441 3.334 3.474 . 0 0 "[ . 1 . 2]" 1
769 1 47 GLN H 1 47 GLN QG . . 4.000 3.234 3.041 3.471 . 0 0 "[ . 1 . 2]" 1
770 1 47 GLN H 1 48 GLU H . . 4.840 4.374 4.293 4.434 . 0 0 "[ . 1 . 2]" 1
771 1 47 GLN HA 1 47 GLN QG . . 3.590 2.124 2.006 2.219 . 0 0 "[ . 1 . 2]" 1
772 1 47 GLN HA 1 48 GLU H . . 2.960 2.204 2.202 2.212 . 0 0 "[ . 1 . 2]" 1
773 1 47 GLN HA 1 52 LEU HA . . 3.490 2.549 2.493 2.613 . 0 0 "[ . 1 . 2]" 1
774 1 47 GLN HA 1 52 LEU MD1 . . 3.310 2.742 2.487 2.864 . 0 0 "[ . 1 . 2]" 1
775 1 47 GLN HA 1 53 TYR H . . 4.380 3.026 2.941 3.249 . 0 0 "[ . 1 . 2]" 1
776 1 47 GLN HA 1 64 TRP HZ3 . . 4.490 4.015 3.637 4.494 0.004 19 0 "[ . 1 . 2]" 1
777 1 47 GLN HB2 1 47 GLN QG . . 2.790 2.336 2.249 2.487 . 0 0 "[ . 1 . 2]" 1
778 1 47 GLN HB2 1 48 GLU H . . 4.560 4.597 4.561 4.646 0.086 17 0 "[ . 1 . 2]" 1
779 1 47 GLN HB3 1 48 GLU H . . 4.460 3.744 3.640 3.864 . 0 0 "[ . 1 . 2]" 1
780 1 47 GLN HB3 1 52 LEU MD1 . . 3.280 3.258 3.088 3.303 0.023 9 0 "[ . 1 . 2]" 1
781 1 47 GLN HE21 1 52 LEU MD1 . . 4.370 2.709 1.908 4.563 0.193 3 0 "[ . 1 . 2]" 1
782 1 47 GLN HE22 1 52 LEU MD1 . . 4.980 3.713 2.722 4.771 . 0 0 "[ . 1 . 2]" 1
783 1 47 GLN QG 1 48 GLU H . . 3.850 3.763 3.538 3.863 0.013 18 0 "[ . 1 . 2]" 1
784 1 47 GLN QG 1 52 LEU HA . . 4.730 3.315 3.121 3.622 . 0 0 "[ . 1 . 2]" 1
785 1 47 GLN QG 1 52 LEU MD1 . . 3.060 2.178 1.926 2.538 . 0 0 "[ . 1 . 2]" 1
786 1 48 GLU H 1 48 GLU HB2 . . 3.870 2.767 2.626 2.960 . 0 0 "[ . 1 . 2]" 1
787 1 48 GLU H 1 48 GLU HB3 . . 3.850 2.899 2.715 3.072 . 0 0 "[ . 1 . 2]" 1
788 1 48 GLU H 1 51 TRP H . . 3.900 3.781 3.665 3.970 0.070 13 0 "[ . 1 . 2]" 1
789 1 48 GLU H 1 51 TRP HB2 . . 4.940 4.857 4.693 4.979 0.039 13 0 "[ . 1 . 2]" 1
790 1 48 GLU H 1 51 TRP HB3 . . 5.410 5.275 5.187 5.358 . 0 0 "[ . 1 . 2]" 1
791 1 48 GLU H 1 52 LEU HA . . 4.350 2.574 2.245 2.688 . 0 0 "[ . 1 . 2]" 1
792 1 48 GLU H 1 52 LEU MD1 . . 4.070 2.522 2.119 2.740 . 0 0 "[ . 1 . 2]" 1
793 1 48 GLU H 1 53 TYR H . . 4.760 3.597 3.331 4.055 . 0 0 "[ . 1 . 2]" 1
794 1 48 GLU H 1 64 TRP HE3 . . 4.730 4.705 4.588 4.744 0.014 18 0 "[ . 1 . 2]" 1
795 1 48 GLU H 1 64 TRP HZ3 . . 4.090 2.721 2.572 3.030 . 0 0 "[ . 1 . 2]" 1
796 1 48 GLU HA 1 48 GLU QG . . 3.740 2.322 2.155 2.699 . 0 0 "[ . 1 . 2]" 1
797 1 48 GLU HB2 1 48 GLU QG . . 2.720 2.310 2.220 2.480 . 0 0 "[ . 1 . 2]" 1
798 1 48 GLU HB2 1 49 ASP H . . 5.220 4.549 4.252 4.614 . 0 0 "[ . 1 . 2]" 1
799 1 48 GLU HB2 1 51 TRP HB2 . . 4.720 4.699 4.589 4.745 0.025 4 0 "[ . 1 . 2]" 1
800 1 48 GLU HB2 1 64 TRP HH2 . . 3.980 2.152 2.003 2.396 . 0 0 "[ . 1 . 2]" 1
801 1 48 GLU HB3 1 51 TRP HB2 . . 4.580 3.357 3.108 3.619 . 0 0 "[ . 1 . 2]" 1
802 1 48 GLU HB3 1 64 TRP HH2 . . 3.750 3.416 3.072 3.650 . 0 0 "[ . 1 . 2]" 1
803 1 48 GLU HB3 1 64 TRP HZ3 . . 4.510 2.551 1.995 2.939 . 0 0 "[ . 1 . 2]" 1
804 1 48 GLU QG 1 49 ASP H . . 4.130 2.915 2.221 3.165 . 0 0 "[ . 1 . 2]" 1
805 1 48 GLU QG 1 49 ASP HB2 . . 4.240 4.155 3.638 4.779 0.539 19 2 "[ . 1 - . +2]" 1
806 1 48 GLU QG 1 49 ASP HB3 . . 4.760 4.529 3.478 4.781 0.021 1 0 "[ . 1 . 2]" 1
807 1 48 GLU QG 1 64 TRP HH2 . . 3.650 3.596 3.353 3.661 0.011 5 0 "[ . 1 . 2]" 1
808 1 48 GLU QG 1 64 TRP HZ3 . . 4.360 4.220 3.781 4.366 0.006 7 0 "[ . 1 . 2]" 1
809 1 49 ASP H 1 50 GLY H . . 4.350 4.337 4.328 4.357 0.007 19 0 "[ . 1 . 2]" 1
810 1 49 ASP HA 1 50 GLY H . . 3.380 2.278 2.273 2.281 . 0 0 "[ . 1 . 2]" 1
811 1 49 ASP HB2 1 50 GLY H . . 4.570 4.644 4.335 4.700 0.130 20 0 "[ . 1 . 2]" 1
812 1 49 ASP HB3 1 50 GLY H . . 4.180 4.154 3.918 4.646 0.466 13 0 "[ . 1 . 2]" 1
813 1 50 GLY H 1 51 TRP H . . 3.490 2.787 2.679 2.971 . 0 0 "[ . 1 . 2]" 1
814 1 50 GLY HA2 1 51 TRP HD1 . . 4.640 4.036 3.850 4.262 . 0 0 "[ . 1 . 2]" 1
815 1 50 GLY HA3 1 51 TRP HD1 . . 3.930 2.981 2.844 3.196 . 0 0 "[ . 1 . 2]" 1
816 1 50 GLY HA3 1 51 TRP HE1 . . 5.250 4.974 4.773 5.293 0.043 16 0 "[ . 1 . 2]" 1
817 1 51 TRP H 1 51 TRP HB2 . . 3.490 2.699 2.619 2.749 . 0 0 "[ . 1 . 2]" 1
818 1 51 TRP H 1 51 TRP HB3 . . 4.090 3.763 3.714 3.801 . 0 0 "[ . 1 . 2]" 1
819 1 51 TRP H 1 51 TRP HD1 . . 3.790 3.465 3.335 3.709 . 0 0 "[ . 1 . 2]" 1
820 1 51 TRP HA 1 51 TRP HD1 . . 4.690 3.759 3.638 3.862 . 0 0 "[ . 1 . 2]" 1
821 1 51 TRP HA 1 52 LEU H . . 3.330 2.317 2.253 2.438 . 0 0 "[ . 1 . 2]" 1
822 1 51 TRP HA 1 66 PRO HA . . 3.040 2.622 2.365 3.122 0.082 16 0 "[ . 1 . 2]" 1
823 1 51 TRP HA 1 66 PRO HB3 . . 4.660 3.730 3.470 4.411 . 0 0 "[ . 1 . 2]" 1
824 1 51 TRP HA 1 67 GLU H . . 3.680 3.798 3.778 3.870 0.190 16 0 "[ . 1 . 2]" 1
825 1 51 TRP HB2 1 51 TRP HD1 . . 3.630 2.841 2.797 2.885 . 0 0 "[ . 1 . 2]" 1
826 1 51 TRP HB2 1 51 TRP HE3 . . 4.080 3.947 3.903 3.990 . 0 0 "[ . 1 . 2]" 1
827 1 51 TRP HB2 1 52 LEU H . . 4.270 4.127 3.945 4.248 . 0 0 "[ . 1 . 2]" 1
828 1 51 TRP HB2 1 64 TRP HE3 . . 3.770 2.991 2.747 3.222 . 0 0 "[ . 1 . 2]" 1
829 1 51 TRP HB2 1 64 TRP HZ3 . . 4.170 3.482 3.308 3.743 . 0 0 "[ . 1 . 2]" 1
830 1 51 TRP HB3 1 51 TRP HE3 . . 3.570 2.394 2.365 2.429 . 0 0 "[ . 1 . 2]" 1
831 1 51 TRP HB3 1 52 LEU H . . 3.890 2.961 2.632 3.190 . 0 0 "[ . 1 . 2]" 1
832 1 51 TRP HB3 1 64 TRP HE3 . . 3.230 2.081 1.979 2.208 . 0 0 "[ . 1 . 2]" 1
833 1 51 TRP HB3 1 64 TRP HZ3 . . 3.720 3.711 3.575 3.755 0.035 17 0 "[ . 1 . 2]" 1
834 1 51 TRP HB3 1 65 PHE H . . 4.730 4.155 3.848 4.764 0.034 16 0 "[ . 1 . 2]" 1
835 1 51 TRP HE3 1 52 LEU H . . 4.440 3.608 3.028 3.856 . 0 0 "[ . 1 . 2]" 1
836 1 51 TRP HE3 1 64 TRP HA . . 4.450 4.142 3.789 4.433 . 0 0 "[ . 1 . 2]" 1
837 1 51 TRP HE3 1 64 TRP HB2 . . 4.010 3.763 3.537 3.919 . 0 0 "[ . 1 . 2]" 1
838 1 51 TRP HE3 1 64 TRP HB3 . . 3.140 2.464 2.269 2.629 . 0 0 "[ . 1 . 2]" 1
839 1 51 TRP HE3 1 64 TRP HE3 . . 3.860 3.586 3.443 3.676 . 0 0 "[ . 1 . 2]" 1
840 1 51 TRP HE3 1 65 PHE H . . 3.960 3.501 3.364 3.784 . 0 0 "[ . 1 . 2]" 1
841 1 51 TRP HE3 1 65 PHE HA . . 4.310 3.263 3.087 3.546 . 0 0 "[ . 1 . 2]" 1
842 1 51 TRP HE3 1 66 PRO HA . . 4.400 3.768 3.464 3.970 . 0 0 "[ . 1 . 2]" 1
843 1 51 TRP HH2 1 66 PRO QD . . 4.430 3.624 3.352 3.772 . 0 0 "[ . 1 . 2]" 1
844 1 51 TRP HH2 1 66 PRO HG2 . . 4.920 4.772 4.612 4.922 0.002 15 0 "[ . 1 . 2]" 1
845 1 51 TRP HH2 1 66 PRO HG3 . . 4.220 3.133 2.961 3.342 . 0 0 "[ . 1 . 2]" 1
846 1 51 TRP HZ2 1 66 PRO HG3 . . 4.570 4.274 3.913 4.594 0.024 16 0 "[ . 1 . 2]" 1
847 1 51 TRP HZ3 1 64 TRP HB2 . . 4.620 4.408 4.172 4.624 0.004 16 0 "[ . 1 . 2]" 1
848 1 51 TRP HZ3 1 64 TRP HB3 . . 4.320 4.045 3.872 4.197 . 0 0 "[ . 1 . 2]" 1
849 1 51 TRP HZ3 1 65 PHE H . . 4.930 4.889 4.688 4.954 0.024 5 0 "[ . 1 . 2]" 1
850 1 51 TRP HZ3 1 66 PRO QD . . 3.820 2.006 1.983 2.213 . 0 0 "[ . 1 . 2]" 1
851 1 51 TRP HZ3 1 66 PRO HG3 . . 4.580 3.120 2.945 3.399 . 0 0 "[ . 1 . 2]" 1
852 1 52 LEU H 1 52 LEU HB2 . . 3.720 2.798 2.722 2.904 . 0 0 "[ . 1 . 2]" 1
853 1 52 LEU H 1 52 LEU HB3 . . 4.170 3.771 3.739 3.836 . 0 0 "[ . 1 . 2]" 1
854 1 52 LEU H 1 52 LEU MD1 . . 4.330 3.451 3.411 3.508 . 0 0 "[ . 1 . 2]" 1
855 1 52 LEU H 1 52 LEU MD2 . . 4.020 1.849 1.841 1.870 . 0 0 "[ . 1 . 2]" 1
856 1 52 LEU H 1 52 LEU HG . . 3.920 3.995 3.962 4.103 0.183 16 0 "[ . 1 . 2]" 1
857 1 52 LEU H 1 64 TRP HE3 . . 4.590 3.456 2.966 3.693 . 0 0 "[ . 1 . 2]" 1
858 1 52 LEU H 1 65 PHE H . . 3.970 3.378 3.193 3.611 . 0 0 "[ . 1 . 2]" 1
859 1 52 LEU H 1 66 PRO HA . . 3.980 2.777 2.679 3.221 . 0 0 "[ . 1 . 2]" 1
860 1 52 LEU H 1 67 GLU H . . 4.590 4.053 3.902 4.371 . 0 0 "[ . 1 . 2]" 1
861 1 52 LEU HA 1 52 LEU MD1 . . 3.020 2.133 2.078 2.170 . 0 0 "[ . 1 . 2]" 1
862 1 52 LEU HA 1 52 LEU MD2 . . 4.670 3.197 3.137 3.229 . 0 0 "[ . 1 . 2]" 1
863 1 52 LEU HA 1 53 TYR H . . 3.120 2.184 2.176 2.252 . 0 0 "[ . 1 . 2]" 1
864 1 52 LEU HA 1 64 TRP HZ3 . . 4.520 3.182 2.823 3.460 . 0 0 "[ . 1 . 2]" 1
865 1 52 LEU HB2 1 52 LEU MD1 . . 3.580 3.216 3.214 3.219 . 0 0 "[ . 1 . 2]" 1
866 1 52 LEU HB2 1 52 LEU MD2 . . 3.340 2.304 2.298 2.317 . 0 0 "[ . 1 . 2]" 1
867 1 52 LEU HB2 1 53 TYR H . . 4.490 4.184 3.846 4.299 . 0 0 "[ . 1 . 2]" 1
868 1 52 LEU HB2 1 65 PHE H . . 4.990 4.188 3.907 4.296 . 0 0 "[ . 1 . 2]" 1
869 1 52 LEU HB2 1 65 PHE QD . . 4.140 3.385 3.291 3.478 . 0 0 "[ . 1 . 2]" 1
870 1 52 LEU HB2 1 65 PHE QE . . 3.920 2.577 2.522 2.635 . 0 0 "[ . 1 . 2]" 1
871 1 52 LEU HB2 1 67 GLU HA . . 4.710 4.289 4.177 4.483 . 0 0 "[ . 1 . 2]" 1
872 1 52 LEU HB3 1 52 LEU MD1 . . 2.530 2.427 2.422 2.430 . 0 0 "[ . 1 . 2]" 1
873 1 52 LEU HB3 1 53 TYR H . . 3.930 3.539 3.118 3.710 . 0 0 "[ . 1 . 2]" 1
874 1 52 LEU HB3 1 65 PHE QE . . 4.370 3.551 3.490 3.618 . 0 0 "[ . 1 . 2]" 1
875 1 52 LEU MD1 1 53 TYR H . . 4.100 4.006 3.938 4.073 . 0 0 "[ . 1 . 2]" 1
876 1 52 LEU MD1 1 67 GLU H . . 4.430 4.170 4.157 4.286 . 0 0 "[ . 1 . 2]" 1
877 1 52 LEU MD1 1 67 GLU HB3 . . 4.100 3.297 3.178 3.342 . 0 0 "[ . 1 . 2]" 1
878 1 52 LEU MD1 1 67 GLU HG2 . . 3.390 3.197 3.087 3.296 . 0 0 "[ . 1 . 2]" 1
879 1 52 LEU MD1 1 67 GLU HG3 . . 4.580 4.650 4.608 4.684 0.104 10 0 "[ . 1 . 2]" 1
880 1 52 LEU MD1 1 72 PHE QE . . 3.950 3.228 3.002 3.549 . 0 0 "[ . 1 . 2]" 1
881 1 52 LEU MD1 1 72 PHE HZ . . 3.530 3.013 2.676 3.488 . 0 0 "[ . 1 . 2]" 1
882 1 52 LEU MD2 1 65 PHE H . . 5.220 4.388 4.291 4.480 . 0 0 "[ . 1 . 2]" 1
883 1 52 LEU MD2 1 65 PHE QD . . 3.300 3.321 3.275 3.350 0.050 5 0 "[ . 1 . 2]" 1
884 1 52 LEU MD2 1 65 PHE QE . . 3.720 3.279 3.224 3.349 . 0 0 "[ . 1 . 2]" 1
885 1 52 LEU MD2 1 67 GLU H . . 5.180 1.809 1.782 1.894 . 0 0 "[ . 1 . 2]" 1
886 1 52 LEU MD2 1 67 GLU HA . . 3.070 2.825 2.793 2.848 . 0 0 "[ . 1 . 2]" 1
887 1 52 LEU MD2 1 67 GLU HB2 . . 4.190 3.314 3.292 3.320 . 0 0 "[ . 1 . 2]" 1
888 1 52 LEU MD2 1 67 GLU HB3 . . 4.040 1.907 1.879 1.918 . 0 0 "[ . 1 . 2]" 1
889 1 52 LEU MD2 1 67 GLU HG2 . . 3.860 1.952 1.918 1.958 . 0 0 "[ . 1 . 2]" 1
890 1 52 LEU MD2 1 67 GLU HG3 . . 4.260 2.794 2.727 2.860 . 0 0 "[ . 1 . 2]" 1
891 1 52 LEU MD2 1 72 PHE QE . . 4.210 4.129 3.844 4.232 0.022 5 0 "[ . 1 . 2]" 1
892 1 52 LEU HG 1 67 GLU H . . 4.670 3.980 3.905 4.075 . 0 0 "[ . 1 . 2]" 1
893 1 52 LEU HG 1 67 GLU HA . . 3.580 3.614 3.599 3.655 0.075 13 0 "[ . 1 . 2]" 1
894 1 52 LEU HG 1 67 GLU HB2 . . 4.050 4.081 4.019 4.097 0.047 11 0 "[ . 1 . 2]" 1
895 1 52 LEU HG 1 67 GLU HB3 . . 3.780 2.394 2.331 2.407 . 0 0 "[ . 1 . 2]" 1
896 1 52 LEU HG 1 67 GLU HG2 . . 4.490 3.760 3.693 3.793 . 0 0 "[ . 1 . 2]" 1
897 1 52 LEU HG 1 67 GLU HG3 . . 4.870 4.875 4.833 4.894 0.024 14 0 "[ . 1 . 2]" 1
898 1 53 TYR H 1 53 TYR HB2 . . 3.620 2.445 2.263 2.656 . 0 0 "[ . 1 . 2]" 1
899 1 53 TYR H 1 53 TYR HB3 . . 3.570 2.373 2.310 2.438 . 0 0 "[ . 1 . 2]" 1
900 1 53 TYR H 1 53 TYR QD . . 4.770 4.119 4.063 4.195 . 0 0 "[ . 1 . 2]" 1
901 1 53 TYR H 1 64 TRP HZ3 . . 4.740 3.018 2.717 3.416 . 0 0 "[ . 1 . 2]" 1
902 1 53 TYR HA 1 53 TYR QD . . 3.500 2.443 2.295 2.568 . 0 0 "[ . 1 . 2]" 1
903 1 53 TYR HA 1 54 GLY H . . 3.140 2.274 2.260 2.288 . 0 0 "[ . 1 . 2]" 1
904 1 53 TYR HA 1 63 GLY H . . 5.160 4.901 4.756 5.093 . 0 0 "[ . 1 . 2]" 1
905 1 53 TYR HA 1 64 TRP HA . . 3.130 2.198 2.073 2.274 . 0 0 "[ . 1 . 2]" 1
906 1 53 TYR HA 1 65 PHE H . . 4.360 2.724 2.640 2.817 . 0 0 "[ . 1 . 2]" 1
907 1 53 TYR HB2 1 54 GLY H . . 4.930 4.262 4.226 4.293 . 0 0 "[ . 1 . 2]" 1
908 1 53 TYR HB2 1 64 TRP HA . . 4.580 3.608 3.523 3.773 . 0 0 "[ . 1 . 2]" 1
909 1 53 TYR HB2 1 64 TRP HE3 . . 4.610 3.144 3.004 3.300 . 0 0 "[ . 1 . 2]" 1
910 1 53 TYR HB2 1 64 TRP HH2 . . 4.360 3.389 3.244 3.573 . 0 0 "[ . 1 . 2]" 1
911 1 53 TYR HB2 1 64 TRP HZ2 . . 4.500 3.728 3.476 3.893 . 0 0 "[ . 1 . 2]" 1
912 1 53 TYR HB2 1 64 TRP HZ3 . . 4.570 3.052 2.920 3.304 . 0 0 "[ . 1 . 2]" 1
913 1 53 TYR HB3 1 54 GLY H . . 5.010 4.012 3.935 4.050 . 0 0 "[ . 1 . 2]" 1
914 1 53 TYR QD 1 54 GLY H . . 4.010 3.223 2.996 3.363 . 0 0 "[ . 1 . 2]" 1
915 1 53 TYR QD 1 63 GLY HA2 . . 3.800 3.710 3.625 3.799 . 0 0 "[ . 1 . 2]" 1
916 1 53 TYR QD 1 64 TRP H . . 4.380 3.547 3.481 3.608 . 0 0 "[ . 1 . 2]" 1
917 1 53 TYR QD 1 64 TRP HA . . 3.930 2.119 2.049 2.184 . 0 0 "[ . 1 . 2]" 1
918 1 53 TYR QD 1 64 TRP HD1 . . 3.780 3.382 3.049 3.592 . 0 0 "[ . 1 . 2]" 1
919 1 53 TYR QD 1 64 TRP HE1 . . 4.120 3.926 3.685 4.079 . 0 0 "[ . 1 . 2]" 1
920 1 53 TYR QD 1 64 TRP HZ2 . . 4.530 4.457 4.324 4.517 . 0 0 "[ . 1 . 2]" 1
921 1 53 TYR QE 1 62 THR HB . . 4.090 4.023 3.856 4.118 0.028 18 0 "[ . 1 . 2]" 1
922 1 53 TYR QE 1 62 THR MG . . 3.570 2.676 2.482 2.913 . 0 0 "[ . 1 . 2]" 1
923 1 53 TYR QE 1 63 GLY H . . 4.560 3.773 3.565 3.888 . 0 0 "[ . 1 . 2]" 1
924 1 53 TYR QE 1 63 GLY HA2 . . 3.210 2.196 2.168 2.254 . 0 0 "[ . 1 . 2]" 1
925 1 53 TYR QE 1 63 GLY HA3 . . 3.780 3.790 3.778 3.814 0.034 19 0 "[ . 1 . 2]" 1
926 1 53 TYR QE 1 64 TRP H . . 4.520 3.759 3.622 3.904 . 0 0 "[ . 1 . 2]" 1
927 1 53 TYR QE 1 64 TRP HD1 . . 4.100 3.377 3.120 3.646 . 0 0 "[ . 1 . 2]" 1
928 1 53 TYR QE 1 64 TRP HE1 . . 4.270 3.994 3.807 4.182 . 0 0 "[ . 1 . 2]" 1
929 1 54 GLY H 1 62 THR HA . . 4.600 4.413 4.275 4.603 0.003 18 0 "[ . 1 . 2]" 1
930 1 54 GLY H 1 62 THR MG . . 4.500 3.711 3.541 3.975 . 0 0 "[ . 1 . 2]" 1
931 1 54 GLY H 1 63 GLY H . . 3.740 3.351 3.186 3.517 . 0 0 "[ . 1 . 2]" 1
932 1 54 GLY H 1 64 TRP HA . . 4.170 3.630 3.480 3.735 . 0 0 "[ . 1 . 2]" 1
933 1 54 GLY H 1 65 PHE H . . 5.330 4.111 3.953 4.310 . 0 0 "[ . 1 . 2]" 1
934 1 54 GLY H 1 65 PHE QD . . 3.910 3.024 2.951 3.222 . 0 0 "[ . 1 . 2]" 1
935 1 54 GLY HA2 1 55 GLU H . . 3.340 2.697 2.611 2.740 . 0 0 "[ . 1 . 2]" 1
936 1 54 GLY HA3 1 55 GLU H . . 3.420 2.545 2.506 2.627 . 0 0 "[ . 1 . 2]" 1
937 1 54 GLY HA3 1 65 PHE QD . . 3.650 3.294 3.153 3.371 . 0 0 "[ . 1 . 2]" 1
938 1 54 GLY HA3 1 65 PHE QE . . 4.520 2.387 2.233 2.474 . 0 0 "[ . 1 . 2]" 1
939 1 55 GLU H 1 55 GLU HB2 . . 3.710 3.237 3.130 3.333 . 0 0 "[ . 1 . 2]" 1
940 1 55 GLU H 1 55 GLU HB3 . . 3.570 2.590 2.498 2.655 . 0 0 "[ . 1 . 2]" 1
941 1 55 GLU H 1 62 THR HA . . 5.360 4.603 4.467 4.815 . 0 0 "[ . 1 . 2]" 1
942 1 55 GLU H 1 65 PHE QD . . 5.220 5.233 5.175 5.260 0.040 10 0 "[ . 1 . 2]" 1
943 1 55 GLU HA 1 55 GLU HG2 . . 4.060 2.593 2.478 2.673 . 0 0 "[ . 1 . 2]" 1
944 1 55 GLU HA 1 55 GLU HG3 . . 3.850 3.311 3.120 3.535 . 0 0 "[ . 1 . 2]" 1
945 1 55 GLU HA 1 56 ARG H . . 3.180 2.217 2.202 2.242 . 0 0 "[ . 1 . 2]" 1
946 1 55 GLU HA 1 62 THR HA . . 3.020 1.988 1.950 2.165 . 0 0 "[ . 1 . 2]" 1
947 1 55 GLU HA 1 62 THR MG . . 3.250 2.406 2.275 2.534 . 0 0 "[ . 1 . 2]" 1
948 1 55 GLU HA 1 63 GLY H . . 4.550 3.377 3.256 3.563 . 0 0 "[ . 1 . 2]" 1
949 1 55 GLU HB2 1 62 THR MG . . 3.700 1.893 1.776 1.964 . 0 0 "[ . 1 . 2]" 1
950 1 55 GLU HB3 1 62 THR MG . . 3.270 3.298 3.134 3.536 0.266 11 0 "[ . 1 . 2]" 1
951 1 55 GLU HG2 1 56 ARG H . . 3.870 2.646 2.316 3.134 . 0 0 "[ . 1 . 2]" 1
952 1 55 GLU HG2 1 60 GLY H . . 4.490 3.971 3.763 4.318 . 0 0 "[ . 1 . 2]" 1
953 1 55 GLU HG2 1 60 GLY HA2 . . 3.610 2.510 2.353 2.658 . 0 0 "[ . 1 . 2]" 1
954 1 55 GLU HG2 1 60 GLY HA3 . . 3.940 3.811 3.697 3.935 . 0 0 "[ . 1 . 2]" 1
955 1 55 GLU HG2 1 62 THR HA . . 4.300 3.740 3.447 3.989 . 0 0 "[ . 1 . 2]" 1
956 1 55 GLU HG2 1 62 THR MG . . 3.950 3.808 3.609 3.953 0.003 13 0 "[ . 1 . 2]" 1
957 1 55 GLU HG3 1 56 ARG H . . 4.510 4.158 3.813 4.531 0.021 20 0 "[ . 1 . 2]" 1
958 1 55 GLU HG3 1 60 GLY HA2 . . 3.670 3.250 3.002 3.588 . 0 0 "[ . 1 . 2]" 1
959 1 55 GLU HG3 1 60 GLY HA3 . . 4.000 3.966 3.733 4.073 0.073 18 0 "[ . 1 . 2]" 1
960 1 55 GLU HG3 1 62 THR H . . 4.590 4.314 4.005 4.593 0.003 18 0 "[ . 1 . 2]" 1
961 1 55 GLU HG3 1 62 THR HA . . 4.470 3.938 3.726 4.177 . 0 0 "[ . 1 . 2]" 1
962 1 55 GLU HG3 1 62 THR MG . . 3.480 3.211 2.800 3.480 0.000 19 0 "[ . 1 . 2]" 1
963 1 56 ARG H 1 56 ARG HB2 . . 3.540 2.307 2.170 2.585 . 0 0 "[ . 1 . 2]" 1
964 1 56 ARG H 1 56 ARG HB3 . . 3.420 2.687 2.371 2.837 . 0 0 "[ . 1 . 2]" 1
965 1 56 ARG H 1 60 GLY HA2 . . 5.110 4.286 3.972 4.680 . 0 0 "[ . 1 . 2]" 1
966 1 56 ARG H 1 61 GLU H . . 4.600 3.715 3.362 4.433 . 0 0 "[ . 1 . 2]" 1
967 1 56 ARG H 1 61 GLU QB . . 4.460 3.650 3.482 4.106 . 0 0 "[ . 1 . 2]" 1
968 1 56 ARG H 1 62 THR HA . . 3.860 3.277 3.130 3.397 . 0 0 "[ . 1 . 2]" 1
969 1 56 ARG H 1 62 THR MG . . 4.300 4.323 4.191 4.410 0.110 19 0 "[ . 1 . 2]" 1
970 1 56 ARG H 1 63 GLY H . . 5.390 4.217 3.915 4.400 . 0 0 "[ . 1 . 2]" 1
971 1 56 ARG HA 1 56 ARG QG . . 3.410 2.271 2.172 2.559 . 0 0 "[ . 1 . 2]" 1
972 1 56 ARG HA 1 57 LEU H . . 2.970 2.244 2.225 2.348 . 0 0 "[ . 1 . 2]" 1
973 1 56 ARG HA 1 57 LEU QB . . 4.330 4.391 4.327 4.554 0.224 20 0 "[ . 1 . 2]" 1
974 1 56 ARG HA 1 57 LEU QD . . 4.440 3.256 3.000 4.163 . 0 0 "[ . 1 . 2]" 1
975 1 56 ARG HA 1 58 ARG H . . 5.320 3.441 3.347 3.727 . 0 0 "[ . 1 . 2]" 1
976 1 56 ARG HB2 1 56 ARG HD2 . . 3.800 3.688 3.529 3.835 0.035 6 0 "[ . 1 . 2]" 1
977 1 56 ARG HB2 1 56 ARG HD3 . . 3.890 2.568 2.264 2.759 . 0 0 "[ . 1 . 2]" 1
978 1 56 ARG HB2 1 56 ARG HE . . 4.230 2.684 2.267 3.268 . 0 0 "[ . 1 . 2]" 1
979 1 56 ARG HB2 1 57 LEU H . . 4.570 4.545 4.143 4.671 0.101 8 0 "[ . 1 . 2]" 1
980 1 56 ARG HB2 1 61 GLU H . . 4.350 3.965 3.649 4.359 0.009 10 0 "[ . 1 . 2]" 1
981 1 56 ARG HB2 1 61 GLU QB . . 4.060 3.336 2.794 4.108 0.048 19 0 "[ . 1 . 2]" 1
982 1 56 ARG HB3 1 56 ARG HD2 . . 4.110 3.793 3.635 4.102 . 0 0 "[ . 1 . 2]" 1
983 1 56 ARG HB3 1 56 ARG HD3 . . 4.100 3.378 3.063 3.663 . 0 0 "[ . 1 . 2]" 1
984 1 56 ARG HB3 1 56 ARG HE . . 3.820 2.035 1.902 2.904 . 0 0 "[ . 1 . 2]" 1
985 1 56 ARG HB3 1 57 LEU H . . 4.630 4.275 3.907 4.590 . 0 0 "[ . 1 . 2]" 1
986 1 56 ARG HB3 1 60 GLY H . . 4.750 2.810 2.491 4.409 . 0 0 "[ . 1 . 2]" 1
987 1 56 ARG HB3 1 61 GLU H . . 3.740 2.629 2.231 2.849 . 0 0 "[ . 1 . 2]" 1
988 1 56 ARG HD2 1 56 ARG QH2 . . 4.090 4.076 4.053 4.163 0.073 6 0 "[ . 1 . 2]" 1
989 1 56 ARG HD2 1 58 ARG HB2 . . 4.490 3.011 1.987 3.540 . 0 0 "[ . 1 . 2]" 1
990 1 56 ARG HD2 1 58 ARG HD3 . . 3.370 3.036 2.244 3.619 0.249 6 0 "[ . 1 . 2]" 1
991 1 56 ARG HD3 1 56 ARG QH2 . . 4.190 4.149 4.059 4.278 0.088 11 0 "[ . 1 . 2]" 1
992 1 56 ARG HD3 1 58 ARG H . . 5.200 4.894 4.278 5.202 0.002 10 0 "[ . 1 . 2]" 1
993 1 56 ARG HE 1 56 ARG QG . . 3.820 2.716 2.536 3.325 . 0 0 "[ . 1 . 2]" 1
994 1 56 ARG HE 1 59 ASP H . . 5.100 3.150 2.174 4.935 . 0 0 "[ . 1 . 2]" 1
995 1 56 ARG HE 1 61 GLU H . . 4.520 3.354 2.755 4.398 . 0 0 "[ . 1 . 2]" 1
996 1 56 ARG HE 1 61 GLU QB . . 4.570 2.615 2.050 3.273 . 0 0 "[ . 1 . 2]" 1
997 1 56 ARG QG 1 58 ARG HB2 . . 4.150 2.202 2.029 2.485 . 0 0 "[ . 1 . 2]" 1
998 1 56 ARG QG 1 59 ASP H . . 4.130 2.944 1.940 3.254 . 0 0 "[ . 1 . 2]" 1
999 1 56 ARG QG 1 60 GLY H . . 4.360 3.737 2.841 4.019 . 0 0 "[ . 1 . 2]" 1
1000 1 56 ARG QG 1 61 GLU H . . 4.640 4.394 3.429 4.682 0.042 6 0 "[ . 1 . 2]" 1
1001 1 57 LEU H 1 57 LEU QB . . 3.040 2.373 2.259 2.534 . 0 0 "[ . 1 . 2]" 1
1002 1 57 LEU H 1 57 LEU QD . . 3.880 2.050 1.794 3.247 . 0 0 "[ . 1 . 2]" 1
1003 1 57 LEU H 1 58 ARG H . . 4.150 2.638 2.152 2.994 . 0 0 "[ . 1 . 2]" 1
1004 1 57 LEU HA 1 57 LEU QD . . 2.890 2.051 1.895 2.581 . 0 0 "[ . 1 . 2]" 1
1005 1 57 LEU HA 1 57 LEU HG . . 3.740 3.532 2.869 3.674 . 0 0 "[ . 1 . 2]" 1
1006 1 57 LEU QB 1 57 LEU QD . . 2.650 1.949 1.786 1.994 . 0 0 "[ . 1 . 2]" 1
1007 1 57 LEU QB 1 58 ARG H . . 4.150 3.153 2.608 3.328 . 0 0 "[ . 1 . 2]" 1
1008 1 57 LEU QD 1 58 ARG H . . 5.130 3.840 3.493 4.423 . 0 0 "[ . 1 . 2]" 1
1009 1 58 ARG H 1 58 ARG HB2 . . 3.490 2.371 2.189 2.558 . 0 0 "[ . 1 . 2]" 1
1010 1 58 ARG H 1 58 ARG HB3 . . 3.490 2.613 2.399 2.907 . 0 0 "[ . 1 . 2]" 1
1011 1 58 ARG H 1 58 ARG QG . . 3.990 3.927 3.825 3.955 . 0 0 "[ . 1 . 2]" 1
1012 1 58 ARG H 1 59 ASP H . . 4.460 3.051 2.912 3.280 . 0 0 "[ . 1 . 2]" 1
1013 1 58 ARG HA 1 58 ARG HB2 . . 3.010 2.524 2.450 2.620 . 0 0 "[ . 1 . 2]" 1
1014 1 58 ARG HA 1 58 ARG HB3 . . 3.000 3.060 3.048 3.062 0.062 19 0 "[ . 1 . 2]" 1
1015 1 58 ARG HA 1 58 ARG HD2 . . 4.640 4.082 3.391 4.636 . 0 0 "[ . 1 . 2]" 1
1016 1 58 ARG HA 1 58 ARG QG . . 3.640 2.366 2.182 2.531 . 0 0 "[ . 1 . 2]" 1
1017 1 58 ARG HB2 1 58 ARG HD2 . . 3.660 2.547 2.003 3.171 . 0 0 "[ . 1 . 2]" 1
1018 1 58 ARG HB2 1 58 ARG HD3 . . 3.640 2.829 2.468 3.769 0.129 6 0 "[ . 1 . 2]" 1
1019 1 58 ARG HB2 1 59 ASP H . . 4.320 3.555 3.392 3.672 . 0 0 "[ . 1 . 2]" 1
1020 1 58 ARG HB3 1 58 ARG HD2 . . 3.800 3.326 2.270 3.623 . 0 0 "[ . 1 . 2]" 1
1021 1 58 ARG HB3 1 58 ARG HD3 . . 4.110 2.783 2.249 3.406 . 0 0 "[ . 1 . 2]" 1
1022 1 58 ARG HB3 1 59 ASP H . . 4.120 2.062 1.998 2.156 . 0 0 "[ . 1 . 2]" 1
1023 1 58 ARG QG 1 59 ASP H . . 3.890 3.256 2.991 3.512 . 0 0 "[ . 1 . 2]" 1
1024 1 58 ARG QG 1 59 ASP HB2 . . 4.050 3.462 2.869 4.751 0.701 9 1 "[ . +1 . 2]" 1
1025 1 58 ARG QG 1 60 GLY H . . 4.880 4.899 4.686 5.073 0.193 20 0 "[ . 1 . 2]" 1
1026 1 59 ASP H 1 59 ASP HB2 . . 4.180 2.627 2.270 3.668 . 0 0 "[ . 1 . 2]" 1
1027 1 59 ASP H 1 60 GLY H . . 3.060 1.877 1.788 2.510 . 0 0 "[ . 1 . 2]" 1
1028 1 59 ASP H 1 60 GLY HA2 . . 5.440 4.177 4.111 4.386 . 0 0 "[ . 1 . 2]" 1
1029 1 59 ASP HB2 1 60 GLY H . . 5.200 3.673 2.988 4.207 . 0 0 "[ . 1 . 2]" 1
1030 1 59 ASP HB3 1 61 GLU H . . 5.360 3.076 2.517 4.531 . 0 0 "[ . 1 . 2]" 1
1031 1 60 GLY H 1 61 GLU H . . 3.460 2.085 1.901 2.918 . 0 0 "[ . 1 . 2]" 1
1032 1 60 GLY H 1 61 GLU QB . . 4.530 3.747 3.557 4.568 0.038 10 0 "[ . 1 . 2]" 1
1033 1 61 GLU H 1 61 GLU QB . . 2.890 2.051 2.000 2.173 . 0 0 "[ . 1 . 2]" 1
1034 1 61 GLU H 1 61 GLU QG . . 3.760 3.478 3.245 3.734 . 0 0 "[ . 1 . 2]" 1
1035 1 61 GLU HA 1 61 GLU QG . . 3.830 2.196 1.972 2.664 . 0 0 "[ . 1 . 2]" 1
1036 1 61 GLU HA 1 62 THR H . . 2.690 2.220 2.204 2.247 . 0 0 "[ . 1 . 2]" 1
1037 1 61 GLU QB 1 62 THR H . . 3.920 3.553 3.302 3.851 . 0 0 "[ . 1 . 2]" 1
1038 1 61 GLU QG 1 62 THR H . . 4.120 3.170 2.702 3.748 . 0 0 "[ . 1 . 2]" 1
1039 1 62 THR H 1 62 THR HB . . 3.250 2.796 2.717 2.879 . 0 0 "[ . 1 . 2]" 1
1040 1 62 THR H 1 62 THR MG . . 3.680 3.772 3.651 3.831 0.151 6 0 "[ . 1 . 2]" 1
1041 1 62 THR HA 1 62 THR MG . . 3.070 2.109 2.018 2.298 . 0 0 "[ . 1 . 2]" 1
1042 1 62 THR HA 1 63 GLY H . . 2.850 2.153 2.150 2.160 . 0 0 "[ . 1 . 2]" 1
1043 1 62 THR MG 1 63 GLY H . . 3.410 3.257 3.103 3.378 . 0 0 "[ . 1 . 2]" 1
1044 1 63 GLY HA2 1 64 TRP H . . 3.410 2.681 2.668 2.686 . 0 0 "[ . 1 . 2]" 1
1045 1 63 GLY HA2 1 64 TRP HD1 . . 4.650 3.904 3.646 4.065 . 0 0 "[ . 1 . 2]" 1
1046 1 63 GLY HA3 1 64 TRP H . . 3.410 2.560 2.555 2.573 . 0 0 "[ . 1 . 2]" 1
1047 1 64 TRP H 1 64 TRP HB2 . . 3.470 2.296 2.281 2.313 . 0 0 "[ . 1 . 2]" 1
1048 1 64 TRP H 1 64 TRP HB3 . . 3.810 3.542 3.530 3.554 . 0 0 "[ . 1 . 2]" 1
1049 1 64 TRP H 1 64 TRP HD1 . . 3.570 3.157 3.040 3.264 . 0 0 "[ . 1 . 2]" 1
1050 1 64 TRP HA 1 64 TRP HE3 . . 3.960 3.102 2.966 3.324 . 0 0 "[ . 1 . 2]" 1
1051 1 64 TRP HA 1 65 PHE H . . 3.000 2.221 2.205 2.266 . 0 0 "[ . 1 . 2]" 1
1052 1 64 TRP HB2 1 64 TRP HD1 . . 3.690 2.707 2.677 2.759 . 0 0 "[ . 1 . 2]" 1
1053 1 64 TRP HB2 1 65 PHE H . . 4.590 4.417 4.258 4.525 . 0 0 "[ . 1 . 2]" 1
1054 1 64 TRP HB3 1 64 TRP HE3 . . 3.790 2.546 2.468 2.600 . 0 0 "[ . 1 . 2]" 1
1055 1 64 TRP HB3 1 65 PHE H . . 3.970 3.443 3.149 3.659 . 0 0 "[ . 1 . 2]" 1
1056 1 64 TRP HE3 1 65 PHE H . . 4.570 3.540 3.254 3.962 . 0 0 "[ . 1 . 2]" 1
1057 1 65 PHE H 1 65 PHE QD . . 4.920 2.962 2.808 3.131 . 0 0 "[ . 1 . 2]" 1
1058 1 65 PHE H 1 66 PRO QD . . 5.110 4.169 4.100 4.280 . 0 0 "[ . 1 . 2]" 1
1059 1 65 PHE HB2 1 66 PRO QD . . 3.070 2.823 2.594 2.885 . 0 0 "[ . 1 . 2]" 1
1060 1 65 PHE QD 1 70 ALA MB . . 2.960 2.811 2.665 2.964 0.004 10 0 "[ . 1 . 2]" 1
1061 1 65 PHE QE 1 70 ALA MB . . 3.960 2.549 2.411 2.682 . 0 0 "[ . 1 . 2]" 1
1062 1 65 PHE HZ 1 70 ALA MB . . 4.700 4.058 3.960 4.240 . 0 0 "[ . 1 . 2]" 1
1063 1 66 PRO HA 1 67 GLU H . . 2.790 2.286 2.247 2.308 . 0 0 "[ . 1 . 2]" 1
1064 1 66 PRO HA 1 68 ASP H . . 4.330 4.053 3.992 4.088 . 0 0 "[ . 1 . 2]" 1
1065 1 66 PRO HB2 1 67 GLU H . . 4.270 3.117 3.050 3.241 . 0 0 "[ . 1 . 2]" 1
1066 1 66 PRO HB2 1 68 ASP H . . 3.880 2.748 2.720 2.908 . 0 0 "[ . 1 . 2]" 1
1067 1 66 PRO HB2 1 68 ASP QB . . 4.470 2.874 2.699 3.101 . 0 0 "[ . 1 . 2]" 1
1068 1 66 PRO HB2 1 69 PHE H . . 4.320 3.081 2.761 3.132 . 0 0 "[ . 1 . 2]" 1
1069 1 66 PRO HB2 1 69 PHE HB2 . . 4.710 3.807 3.630 4.053 . 0 0 "[ . 1 . 2]" 1
1070 1 66 PRO HB2 1 69 PHE QD . . 3.620 2.433 2.295 3.632 0.012 16 0 "[ . 1 . 2]" 1
1071 1 66 PRO HB2 1 69 PHE QE . . 4.340 3.771 3.648 4.326 . 0 0 "[ . 1 . 2]" 1
1072 1 66 PRO HB3 1 67 GLU H . . 3.960 3.620 3.580 3.695 . 0 0 "[ . 1 . 2]" 1
1073 1 66 PRO HB3 1 68 ASP H . . 4.100 4.130 4.114 4.183 0.083 16 0 "[ . 1 . 2]" 1
1074 1 66 PRO HB3 1 69 PHE H . . 4.760 4.747 4.485 4.792 0.032 7 0 "[ . 1 . 2]" 1
1075 1 66 PRO HB3 1 69 PHE QD . . 4.040 3.895 3.757 4.394 0.354 16 0 "[ . 1 . 2]" 1
1076 1 66 PRO HB3 1 69 PHE QE . . 4.590 4.600 4.569 4.713 0.123 16 0 "[ . 1 . 2]" 1
1077 1 66 PRO QD 1 69 PHE HB2 . . 4.120 2.871 2.781 3.134 . 0 0 "[ . 1 . 2]" 1
1078 1 66 PRO QD 1 69 PHE HB3 . . 4.640 4.035 3.908 4.494 . 0 0 "[ . 1 . 2]" 1
1079 1 66 PRO QD 1 69 PHE QD . . 4.140 3.742 3.279 3.834 . 0 0 "[ . 1 . 2]" 1
1080 1 66 PRO HG2 1 69 PHE QD . . 4.330 2.084 1.805 2.253 . 0 0 "[ . 1 . 2]" 1
1081 1 66 PRO HG2 1 69 PHE QE . . 3.890 3.348 3.267 3.484 . 0 0 "[ . 1 . 2]" 1
1082 1 67 GLU H 1 67 GLU HB2 . . 3.450 3.526 3.521 3.532 0.082 20 0 "[ . 1 . 2]" 1
1083 1 67 GLU H 1 67 GLU HB3 . . 3.420 2.830 2.778 2.887 . 0 0 "[ . 1 . 2]" 1
1084 1 67 GLU H 1 67 GLU HG3 . . 4.130 1.910 1.889 1.924 . 0 0 "[ . 1 . 2]" 1
1085 1 67 GLU H 1 68 ASP H . . 3.790 2.505 2.439 2.598 . 0 0 "[ . 1 . 2]" 1
1086 1 67 GLU HA 1 67 GLU HG2 . . 3.950 3.921 3.870 3.960 0.010 10 0 "[ . 1 . 2]" 1
1087 1 67 GLU HA 1 67 GLU HG3 . . 4.010 3.544 3.528 3.562 . 0 0 "[ . 1 . 2]" 1
1088 1 67 GLU HA 1 69 PHE H . . 3.750 3.535 3.455 3.769 0.019 16 0 "[ . 1 . 2]" 1
1089 1 67 GLU HA 1 70 ALA H . . 4.330 3.530 3.244 3.927 . 0 0 "[ . 1 . 2]" 1
1090 1 67 GLU HA 1 70 ALA MB . . 3.060 2.572 2.093 2.822 . 0 0 "[ . 1 . 2]" 1
1091 1 67 GLU HB2 1 68 ASP H . . 4.090 3.719 3.691 3.742 . 0 0 "[ . 1 . 2]" 1
1092 1 67 GLU HB3 1 68 ASP H . . 4.130 4.193 4.184 4.201 0.071 3 0 "[ . 1 . 2]" 1
1093 1 67 GLU HG2 1 68 ASP H . . 4.530 3.667 3.614 3.725 . 0 0 "[ . 1 . 2]" 1
1094 1 67 GLU HG3 1 68 ASP H . . 4.390 1.977 1.962 2.004 . 0 0 "[ . 1 . 2]" 1
1095 1 68 ASP H 1 68 ASP QB . . 3.280 2.087 1.989 2.670 . 0 0 "[ . 1 . 2]" 1
1096 1 68 ASP H 1 69 PHE H . . 4.270 2.747 2.721 2.813 . 0 0 "[ . 1 . 2]" 1
1097 1 68 ASP H 1 70 ALA H . . 5.110 4.347 4.156 4.665 . 0 0 "[ . 1 . 2]" 1
1098 1 68 ASP HA 1 70 ALA H . . 4.150 3.765 3.676 3.880 . 0 0 "[ . 1 . 2]" 1
1099 1 68 ASP QB 1 69 PHE H . . 4.240 2.961 2.752 3.037 . 0 0 "[ . 1 . 2]" 1
1100 1 68 ASP QB 1 69 PHE QD . . 4.320 2.340 2.027 2.790 . 0 0 "[ . 1 . 2]" 1
1101 1 69 PHE H 1 69 PHE HB2 . . 3.310 2.311 2.255 2.489 . 0 0 "[ . 1 . 2]" 1
1102 1 69 PHE H 1 69 PHE HB3 . . 3.660 3.549 3.515 3.608 . 0 0 "[ . 1 . 2]" 1
1103 1 69 PHE H 1 69 PHE QD . . 3.780 2.326 2.032 3.100 . 0 0 "[ . 1 . 2]" 1
1104 1 69 PHE H 1 70 ALA H . . 3.270 2.702 2.472 3.000 . 0 0 "[ . 1 . 2]" 1
1105 1 69 PHE H 1 70 ALA MB . . 4.160 3.596 3.531 3.693 . 0 0 "[ . 1 . 2]" 1
1106 1 69 PHE HA 1 69 PHE QD . . 4.280 3.127 2.110 3.211 . 0 0 "[ . 1 . 2]" 1
1107 1 69 PHE HB2 1 70 ALA H . . 4.460 4.036 3.865 4.244 . 0 0 "[ . 1 . 2]" 1
1108 1 69 PHE HB2 1 70 ALA MB . . 4.530 3.774 3.696 3.967 . 0 0 "[ . 1 . 2]" 1
1109 1 70 ALA H 1 70 ALA MB . . 3.000 2.741 2.593 2.916 . 0 0 "[ . 1 . 2]" 1
1110 1 70 ALA HA 1 71 ARG H . . 2.950 2.469 2.342 2.548 . 0 0 "[ . 1 . 2]" 1
1111 1 70 ALA HA 1 71 ARG QB . . 4.780 4.099 3.980 4.315 . 0 0 "[ . 1 . 2]" 1
1112 1 70 ALA HA 1 71 ARG HG3 . . 4.630 4.395 3.965 4.964 0.334 12 0 "[ . 1 . 2]" 1
1113 1 70 ALA MB 1 71 ARG H . . 3.190 2.615 2.447 2.807 . 0 0 "[ . 1 . 2]" 1
1114 1 71 ARG H 1 71 ARG QB . . 3.540 2.601 2.381 3.145 . 0 0 "[ . 1 . 2]" 1
1115 1 71 ARG H 1 71 ARG HG2 . . 4.280 3.976 2.279 4.321 0.041 16 0 "[ . 1 . 2]" 1
1116 1 71 ARG H 1 71 ARG HG3 . . 4.230 3.620 2.532 4.064 . 0 0 "[ . 1 . 2]" 1
1117 1 71 ARG H 1 72 PHE H . . 4.340 4.128 4.033 4.339 . 0 0 "[ . 1 . 2]" 1
1118 1 71 ARG HA 1 72 PHE QD . . 4.480 4.256 3.647 4.437 . 0 0 "[ . 1 . 2]" 1
1119 1 71 ARG QB 1 71 ARG HD2 . . 3.360 2.894 2.193 3.335 . 0 0 "[ . 1 . 2]" 1
1120 1 71 ARG QB 1 71 ARG HD3 . . 3.380 2.546 2.100 3.326 . 0 0 "[ . 1 . 2]" 1
1121 1 71 ARG QB 1 71 ARG HG2 . . 2.620 2.473 2.304 2.539 . 0 0 "[ . 1 . 2]" 1
1122 1 71 ARG QB 1 72 PHE H . . 3.970 3.531 3.089 3.704 . 0 0 "[ . 1 . 2]" 1
1123 1 71 ARG HG2 1 72 PHE H . . 4.390 4.193 3.852 5.309 0.919 7 3 "[ * + 1 - . 2]" 1
1124 1 72 PHE H 1 72 PHE QB . . 3.020 1.991 1.940 2.032 . 0 0 "[ . 1 . 2]" 1
1125 1 72 PHE H 1 72 PHE QD . . 3.380 2.632 2.290 2.751 . 0 0 "[ . 1 . 2]" 1
1126 1 72 PHE H 1 72 PHE QE . . 5.140 4.818 4.599 4.959 . 0 0 "[ . 1 . 2]" 1
1127 1 72 PHE H 1 73 ILE H . . 5.230 4.390 4.298 4.619 . 0 0 "[ . 1 . 2]" 1
1128 1 72 PHE HA 1 72 PHE QD . . 3.640 2.929 2.788 3.085 . 0 0 "[ . 1 . 2]" 1
1129 1 72 PHE HA 1 73 ILE H . . 3.080 2.227 2.206 2.247 . 0 0 "[ . 1 . 2]" 1
1130 1 72 PHE HA 1 73 ILE HB . . 4.540 4.562 4.535 4.615 0.075 15 0 "[ . 1 . 2]" 1
1131 1 72 PHE HA 1 73 ILE HG13 . . 4.460 3.857 3.600 3.996 . 0 0 "[ . 1 . 2]" 1
1132 1 72 PHE QB 1 73 ILE H . . 3.820 3.736 3.323 3.813 . 0 0 "[ . 1 . 2]" 1
1133 1 72 PHE QD 1 73 ILE H . . 4.490 4.152 3.400 4.503 0.013 5 0 "[ . 1 . 2]" 1
1134 1 73 ILE H 1 73 ILE HB . . 3.510 2.456 2.410 2.550 . 0 0 "[ . 1 . 2]" 1
1135 1 73 ILE H 1 73 ILE MD . . 3.970 3.573 3.246 4.015 0.045 11 0 "[ . 1 . 2]" 1
1136 1 73 ILE H 1 73 ILE HG12 . . 3.580 3.189 2.807 3.593 0.013 11 0 "[ . 1 . 2]" 1
1137 1 73 ILE H 1 73 ILE HG13 . . 3.630 2.062 1.945 2.630 . 0 0 "[ . 1 . 2]" 1
1138 1 73 ILE H 1 73 ILE MG . . 3.760 3.716 3.703 3.806 0.046 11 0 "[ . 1 . 2]" 1
1139 1 73 ILE H 1 74 SER H . . 4.050 3.014 2.783 4.133 0.083 11 0 "[ . 1 . 2]" 1
1140 1 73 ILE HA 1 73 ILE MD . . 4.010 3.768 3.631 3.869 . 0 0 "[ . 1 . 2]" 1
1141 1 73 ILE HA 1 73 ILE HG12 . . 4.080 2.486 2.401 2.648 . 0 0 "[ . 1 . 2]" 1
1142 1 73 ILE HA 1 73 ILE HG13 . . 4.020 3.098 2.864 3.312 . 0 0 "[ . 1 . 2]" 1
1143 1 73 ILE HA 1 73 ILE MG . . 3.100 2.436 2.332 2.484 . 0 0 "[ . 1 . 2]" 1
1144 1 73 ILE HB 1 73 ILE MD . . 2.850 2.430 2.258 2.571 . 0 0 "[ . 1 . 2]" 1
1145 1 73 ILE HB 1 74 SER H . . 4.420 2.560 2.106 4.506 0.086 15 0 "[ . 1 . 2]" 1
1146 1 73 ILE HG13 1 73 ILE MG . . 3.540 3.228 3.207 3.241 . 0 0 "[ . 1 . 2]" 1
1147 1 73 ILE HG13 1 74 SER H . . 5.500 4.298 4.067 5.337 . 0 0 "[ . 1 . 2]" 1
1148 1 73 ILE MG 1 74 SER H . . 4.450 3.197 3.018 3.362 . 0 0 "[ . 1 . 2]" 1
1149 1 73 ILE MG 1 74 SER HA . . 4.150 4.058 3.872 4.202 0.052 11 0 "[ . 1 . 2]" 1
1150 1 73 ILE MG 1 74 SER HB3 . . 4.660 4.137 2.848 4.499 . 0 0 "[ . 1 . 2]" 1
1151 1 74 SER H 1 74 SER HB2 . . 4.120 2.959 2.652 3.968 . 0 0 "[ . 1 . 2]" 1
1152 1 74 SER H 1 74 SER HB3 . . 4.020 3.494 2.968 3.951 . 0 0 "[ . 1 . 2]" 1
1153 1 74 SER HA 1 75 GLY QA . . 3.980 3.956 3.923 4.020 0.040 15 0 "[ . 1 . 2]" 1
1154 1 74 SER HB2 1 75 GLY H . . 4.700 4.440 3.053 4.733 0.033 10 0 "[ . 1 . 2]" 1
1155 1 75 GLY QA 1 76 PRO QD . . 2.740 1.956 1.839 2.109 . 0 0 "[ . 1 . 2]" 1
1156 1 75 GLY QA 1 76 PRO QG . . 4.210 3.779 3.696 3.971 . 0 0 "[ . 1 . 2]" 1
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