NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
494743 |
2krn   |
16642 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2krn
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 870
_Distance_constraint_stats_list.Viol_count 397
_Distance_constraint_stats_list.Viol_total 130.520
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0329
_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 2 SER 0.000 0.000 . 0 "[ . 1]"
1 3 MET 0.171 0.095 10 0 "[ . 1]"
1 4 GLY 0.171 0.095 10 0 "[ . 1]"
1 5 ARG 0.078 0.066 10 0 "[ . 1]"
1 6 GLN 0.321 0.066 10 0 "[ . 1]"
1 7 CYS 0.453 0.085 6 0 "[ . 1]"
1 8 LYS 1.339 0.201 8 0 "[ . 1]"
1 9 VAL 1.259 0.201 8 0 "[ . 1]"
1 10 LEU 0.265 0.061 7 0 "[ . 1]"
1 11 PHE 0.189 0.061 7 0 "[ . 1]"
1 12 ASP 0.012 0.011 7 0 "[ . 1]"
1 13 TYR 1.075 0.084 6 0 "[ . 1]"
1 14 SER 0.870 0.147 1 0 "[ . 1]"
1 15 PRO 1.189 0.147 1 0 "[ . 1]"
1 16 GLN 0.040 0.021 6 0 "[ . 1]"
1 17 ASN 0.600 0.230 8 0 "[ . 1]"
1 18 GLU 0.275 0.230 8 0 "[ . 1]"
1 19 ASP 0.144 0.042 2 0 "[ . 1]"
1 20 GLU 0.392 0.084 6 0 "[ . 1]"
1 21 LEU 0.091 0.024 3 0 "[ . 1]"
1 22 GLU 1.474 0.189 2 0 "[ . 1]"
1 23 LEU 1.799 0.189 2 0 "[ . 1]"
1 24 ILE 0.399 0.074 8 0 "[ . 1]"
1 25 VAL 0.557 0.074 8 0 "[ . 1]"
1 26 GLY 0.155 0.044 4 0 "[ . 1]"
1 27 ASP 0.003 0.003 2 0 "[ . 1]"
1 28 VAL 0.114 0.047 3 0 "[ . 1]"
1 29 ILE 0.301 0.072 4 0 "[ . 1]"
1 30 ASP 0.060 0.023 9 0 "[ . 1]"
1 31 VAL 0.014 0.014 1 0 "[ . 1]"
1 32 ILE 0.045 0.023 4 0 "[ . 1]"
1 33 GLU 0.236 0.043 3 0 "[ . 1]"
1 34 GLU 0.664 0.071 8 0 "[ . 1]"
1 35 VAL 0.018 0.016 8 0 "[ . 1]"
1 36 GLU 0.053 0.025 5 0 "[ . 1]"
1 37 GLU 0.000 0.000 . 0 "[ . 1]"
1 38 GLY 0.053 0.039 1 0 "[ . 1]"
1 39 TRP 0.828 0.064 4 0 "[ . 1]"
1 40 TRP 0.875 0.071 8 0 "[ . 1]"
1 41 SER 0.053 0.043 3 0 "[ . 1]"
1 42 GLY 0.090 0.048 7 0 "[ . 1]"
1 43 THR 0.356 0.050 4 0 "[ . 1]"
1 44 LEU 0.484 0.049 8 0 "[ . 1]"
1 45 ASN 0.220 0.046 3 0 "[ . 1]"
1 46 ASN 0.222 0.058 5 0 "[ . 1]"
1 47 LYS 0.700 0.087 1 0 "[ . 1]"
1 48 LEU 0.342 0.046 4 0 "[ . 1]"
1 49 GLY 0.002 0.002 2 0 "[ . 1]"
1 50 LEU 0.426 0.048 7 0 "[ . 1]"
1 51 PHE 0.302 0.045 3 0 "[ . 1]"
1 52 PRO 0.365 0.042 4 0 "[ . 1]"
1 53 SER 0.194 0.042 4 0 "[ . 1]"
1 54 ASN 0.055 0.020 8 0 "[ . 1]"
1 55 PHE 0.025 0.021 9 0 "[ . 1]"
1 56 VAL 0.352 0.041 9 0 "[ . 1]"
1 57 LYS 1.026 0.197 6 0 "[ . 1]"
1 58 GLU 0.326 0.065 8 0 "[ . 1]"
1 59 LEU 0.637 0.129 1 0 "[ . 1]"
1 60 GLU 0.634 0.129 1 0 "[ . 1]"
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 2 SER HB2 1 3 MET H 3.650 . 5.500 3.532 2.309 4.547 . 0 0 "[ . 1]" 1
2 1 2 SER HB3 1 3 MET H 3.650 . 5.500 3.729 2.628 4.405 . 0 0 "[ . 1]" 1
3 1 3 MET H 1 3 MET HB2 2.995 . 4.190 3.172 2.507 3.711 . 0 0 "[ . 1]" 1
4 1 3 MET H 1 3 MET QB 2.690 . 3.580 2.689 2.308 3.372 . 0 0 "[ . 1]" 1
5 1 3 MET H 1 3 MET HB3 2.995 . 4.190 3.152 2.475 4.133 . 0 0 "[ . 1]" 1
6 1 3 MET H 1 3 MET QG 3.215 . 4.630 3.362 2.176 4.203 . 0 0 "[ . 1]" 1
7 1 3 MET H 1 4 GLY H 3.030 . 4.260 3.632 2.255 4.355 0.095 10 0 "[ . 1]" 1
8 1 3 MET HA 1 4 GLY H 2.645 . 3.490 2.618 2.079 3.518 0.028 7 0 "[ . 1]" 1
9 1 4 GLY QA 1 5 ARG H 2.375 . 2.950 2.195 2.050 2.632 . 0 0 "[ . 1]" 1
10 1 4 GLY QA 1 5 ARG QB 3.400 . 5.000 4.105 3.885 4.355 . 0 0 "[ . 1]" 1
11 1 5 ARG H 1 5 ARG QB 2.635 . 3.470 2.690 2.165 3.435 . 0 0 "[ . 1]" 1
12 1 5 ARG H 1 6 GLN H 3.370 . 4.940 4.027 2.017 4.548 . 0 0 "[ . 1]" 1
13 1 5 ARG HA 1 5 ARG QG 2.765 . 3.730 2.699 2.339 3.489 . 0 0 "[ . 1]" 1
14 1 5 ARG HA 1 6 GLN H 2.525 . 3.250 2.472 2.108 3.176 . 0 0 "[ . 1]" 1
15 1 5 ARG QB 1 5 ARG HE 2.770 . 3.740 2.225 1.882 2.888 . 0 0 "[ . 1]" 1
16 1 5 ARG QB 1 6 GLN H 2.640 . 3.480 2.886 1.903 3.546 0.066 10 0 "[ . 1]" 1
17 1 5 ARG HB2 1 5 ARG HE 3.055 . 4.310 2.648 1.901 3.718 . 0 0 "[ . 1]" 1
18 1 5 ARG HB2 1 6 GLN H 3.050 . 4.300 3.622 3.262 4.277 . 0 0 "[ . 1]" 1
19 1 5 ARG HB3 1 5 ARG HE 3.055 . 4.310 3.126 1.960 3.981 . 0 0 "[ . 1]" 1
20 1 5 ARG HB3 1 6 GLN H 3.050 . 4.300 3.289 1.916 4.248 . 0 0 "[ . 1]" 1
21 1 5 ARG HE 1 5 ARG QG 2.710 . 3.620 2.572 2.408 2.850 . 0 0 "[ . 1]" 1
22 1 6 GLN H 1 6 GLN QB 2.355 . 2.910 2.549 2.426 2.689 . 0 0 "[ . 1]" 1
23 1 6 GLN H 1 6 GLN QG 2.705 . 3.610 2.482 1.788 2.945 0.012 4 0 "[ . 1]" 1
24 1 6 GLN HA 1 6 GLN QG 2.630 . 3.460 2.563 2.388 3.360 . 0 0 "[ . 1]" 1
25 1 6 GLN HA 1 7 CYS H 2.425 . 3.050 2.274 2.105 2.635 . 0 0 "[ . 1]" 1
26 1 6 GLN HA 1 30 ASP HA 2.805 . 3.810 3.018 2.289 3.833 0.023 9 0 "[ . 1]" 1
27 1 6 GLN HA 1 31 VAL H 2.695 . 3.590 2.531 2.048 2.864 . 0 0 "[ . 1]" 1
28 1 6 GLN HA 1 31 VAL QG 2.870 . 3.940 2.333 2.049 2.534 . 0 0 "[ . 1]" 1
29 1 6 GLN QB 1 7 CYS H 2.480 . 3.160 2.657 2.114 3.097 . 0 0 "[ . 1]" 1
30 1 6 GLN QB 1 28 VAL QG 2.895 . 3.990 2.095 1.892 2.545 . 0 0 "[ . 1]" 1
31 1 6 GLN QB 1 31 VAL H 3.160 . 4.520 3.842 3.224 4.121 . 0 0 "[ . 1]" 1
32 1 6 GLN HB2 1 7 CYS H 2.850 . 3.900 3.635 2.920 3.950 0.050 4 0 "[ . 1]" 1
33 1 6 GLN HB3 1 7 CYS H 2.850 . 3.900 2.823 2.150 3.913 0.013 5 0 "[ . 1]" 1
34 1 6 GLN QE 1 6 GLN QG 2.420 . 3.040 2.290 2.062 2.685 . 0 0 "[ . 1]" 1
35 1 6 GLN QE 1 28 VAL QG 2.905 . 4.010 3.354 2.217 4.038 0.028 8 0 "[ . 1]" 1
36 1 6 GLN QE 1 30 ASP HA 3.435 . 5.070 3.390 1.888 5.084 0.014 2 0 "[ . 1]" 1
37 1 6 GLN QG 1 28 VAL QG 3.210 . 4.620 3.440 2.991 3.792 . 0 0 "[ . 1]" 1
38 1 6 GLN QG 1 30 ASP HA 2.975 . 4.150 2.294 1.896 4.116 . 0 0 "[ . 1]" 1
39 1 7 CYS H 1 7 CYS HB3 2.740 . 3.680 3.111 2.799 3.502 . 0 0 "[ . 1]" 1
40 1 7 CYS H 1 7 CYS HG 2.810 . 3.820 3.007 2.246 3.826 0.006 9 0 "[ . 1]" 1
41 1 7 CYS H 1 28 VAL QG 2.885 . 3.970 3.291 2.542 3.732 . 0 0 "[ . 1]" 1
42 1 7 CYS H 1 30 ASP HA 3.315 . 4.830 4.064 3.346 4.837 0.007 9 0 "[ . 1]" 1
43 1 7 CYS H 1 31 VAL H 3.415 . 5.030 3.765 3.310 4.448 . 0 0 "[ . 1]" 1
44 1 7 CYS H 1 31 VAL QG 2.915 . 4.030 2.860 2.248 3.404 . 0 0 "[ . 1]" 1
45 1 7 CYS H 1 56 VAL MG1 3.650 . 5.500 5.467 5.312 5.524 0.024 9 0 "[ . 1]" 1
46 1 7 CYS HA 1 8 LYS H 2.465 . 3.130 2.188 2.060 2.300 . 0 0 "[ . 1]" 1
47 1 7 CYS HA 1 58 GLU H 3.650 . 5.500 4.410 3.317 4.933 . 0 0 "[ . 1]" 1
48 1 7 CYS HA 1 58 GLU HA 2.515 . 3.230 2.251 1.914 2.710 . 0 0 "[ . 1]" 1
49 1 7 CYS HA 1 59 LEU H 2.690 . 3.580 2.950 2.386 3.568 . 0 0 "[ . 1]" 1
50 1 7 CYS HB2 1 8 LYS H 2.655 . 3.510 2.970 2.615 3.253 . 0 0 "[ . 1]" 1
51 1 7 CYS HB2 1 31 VAL QG 3.325 . 4.850 4.265 3.950 4.864 0.014 1 0 "[ . 1]" 1
52 1 7 CYS HB2 1 40 TRP HZ3 3.145 . 4.490 3.575 3.333 3.982 . 0 0 "[ . 1]" 1
53 1 7 CYS HB2 1 56 VAL HB 2.555 . 3.310 2.163 2.027 2.287 . 0 0 "[ . 1]" 1
54 1 7 CYS HB2 1 56 VAL MG1 3.650 . 5.500 3.613 3.240 3.802 . 0 0 "[ . 1]" 1
55 1 7 CYS HB2 1 56 VAL MG2 2.840 . 3.880 2.886 2.416 3.306 . 0 0 "[ . 1]" 1
56 1 7 CYS HB2 1 57 LYS H 3.110 . 4.420 3.248 2.919 3.435 . 0 0 "[ . 1]" 1
57 1 7 CYS HB2 1 58 GLU H 3.385 . 4.970 4.081 2.274 4.580 . 0 0 "[ . 1]" 1
58 1 7 CYS HB2 1 58 GLU HA 2.820 . 3.840 3.207 2.525 3.702 . 0 0 "[ . 1]" 1
59 1 7 CYS HB3 1 31 VAL QG 3.100 . 4.400 3.142 2.841 3.755 . 0 0 "[ . 1]" 1
60 1 7 CYS HB3 1 40 TRP HZ3 2.855 . 3.910 2.369 2.053 2.733 . 0 0 "[ . 1]" 1
61 1 7 CYS HB3 1 56 VAL HB 2.930 . 4.060 3.722 3.553 3.933 . 0 0 "[ . 1]" 1
62 1 7 CYS HB3 1 57 LYS H 3.315 . 4.830 4.753 4.536 4.915 0.085 6 0 "[ . 1]" 1
63 1 7 CYS HB3 1 58 GLU HA 2.915 . 4.030 2.513 1.935 2.921 . 0 0 "[ . 1]" 1
64 1 7 CYS HB3 1 58 GLU HB2 3.585 . 5.370 3.367 2.894 3.822 . 0 0 "[ . 1]" 1
65 1 7 CYS HB3 1 58 GLU QB 3.170 . 4.540 3.230 2.859 3.729 . 0 0 "[ . 1]" 1
66 1 7 CYS HB3 1 58 GLU HB3 3.585 . 5.370 4.577 3.147 5.188 . 0 0 "[ . 1]" 1
67 1 7 CYS HB3 1 59 LEU H 3.290 . 4.780 4.374 3.973 4.801 0.021 1 0 "[ . 1]" 1
68 1 7 CYS HG 1 51 PHE QE 3.650 . 5.500 3.272 1.933 3.833 . 0 0 "[ . 1]" 1
69 1 7 CYS HG 1 56 VAL MG1 2.830 . 3.860 3.251 2.813 3.888 0.028 6 0 "[ . 1]" 1
70 1 8 LYS H 1 8 LYS HB2 2.685 . 3.570 2.505 2.267 2.889 . 0 0 "[ . 1]" 1
71 1 8 LYS H 1 8 LYS QB 2.415 . 3.030 2.310 2.242 2.408 . 0 0 "[ . 1]" 1
72 1 8 LYS H 1 8 LYS HB3 2.685 . 3.570 3.064 2.431 3.618 0.048 7 0 "[ . 1]" 1
73 1 8 LYS H 1 8 LYS QG 2.930 . 4.060 3.661 2.868 4.081 0.021 2 0 "[ . 1]" 1
74 1 8 LYS H 1 56 VAL MG1 3.650 . 5.500 4.830 4.477 5.168 . 0 0 "[ . 1]" 1
75 1 8 LYS H 1 58 GLU HA 3.285 . 4.770 3.752 3.357 4.062 . 0 0 "[ . 1]" 1
76 1 8 LYS H 1 59 LEU H 3.350 . 4.900 3.947 3.422 4.749 . 0 0 "[ . 1]" 1
77 1 8 LYS HA 1 8 LYS HD2 3.335 . 4.870 3.955 2.277 4.567 . 0 0 "[ . 1]" 1
78 1 8 LYS HA 1 8 LYS QD 2.990 . 4.180 3.618 2.172 4.076 . 0 0 "[ . 1]" 1
79 1 8 LYS HA 1 8 LYS HD3 3.335 . 4.870 4.279 2.743 4.707 . 0 0 "[ . 1]" 1
80 1 8 LYS HA 1 8 LYS HG2 2.780 . 3.760 3.115 2.497 3.736 . 0 0 "[ . 1]" 1
81 1 8 LYS HA 1 8 LYS QG 2.535 . 3.270 2.445 2.296 2.826 . 0 0 "[ . 1]" 1
82 1 8 LYS HA 1 8 LYS HG3 2.780 . 3.760 2.619 2.353 2.926 . 0 0 "[ . 1]" 1
83 1 8 LYS HA 1 9 VAL H 2.335 . 2.870 2.151 2.072 2.256 . 0 0 "[ . 1]" 1
84 1 8 LYS HA 1 9 VAL HB 3.290 . 4.780 4.675 4.511 4.781 0.001 2 0 "[ . 1]" 1
85 1 8 LYS HA 1 28 VAL HA 2.780 . 3.760 2.221 1.962 2.512 . 0 0 "[ . 1]" 1
86 1 8 LYS HA 1 28 VAL QG 3.085 . 4.370 2.834 2.374 3.285 . 0 0 "[ . 1]" 1
87 1 8 LYS QB 1 9 VAL H 2.465 . 3.130 3.011 2.571 3.331 0.201 8 0 "[ . 1]" 1
88 1 8 LYS QG 1 9 VAL H 2.795 . 3.790 2.903 2.148 3.636 . 0 0 "[ . 1]" 1
89 1 8 LYS HG2 1 9 VAL H 3.115 . 4.430 3.374 2.299 4.522 0.092 6 0 "[ . 1]" 1
90 1 8 LYS HG3 1 9 VAL H 3.115 . 4.430 3.411 2.503 4.530 0.100 4 0 "[ . 1]" 1
91 1 9 VAL H 1 9 VAL HB 2.340 . 2.880 2.597 2.500 2.692 . 0 0 "[ . 1]" 1
92 1 9 VAL H 1 9 VAL MG1 2.855 . 3.910 3.816 3.771 3.860 . 0 0 "[ . 1]" 1
93 1 9 VAL H 1 9 VAL MG2 2.465 . 3.130 2.273 2.142 2.400 . 0 0 "[ . 1]" 1
94 1 9 VAL H 1 10 LEU H 3.215 . 4.630 4.406 4.261 4.637 0.007 4 0 "[ . 1]" 1
95 1 9 VAL H 1 26 GLY H 2.940 . 4.080 3.744 3.477 4.019 . 0 0 "[ . 1]" 1
96 1 9 VAL H 1 27 ASP H 3.045 . 4.290 3.754 3.342 4.268 . 0 0 "[ . 1]" 1
97 1 9 VAL H 1 28 VAL HA 3.365 . 4.930 3.371 2.962 3.882 . 0 0 "[ . 1]" 1
98 1 9 VAL H 1 56 VAL MG1 3.420 . 5.040 4.002 3.791 4.280 . 0 0 "[ . 1]" 1
99 1 9 VAL HA 1 9 VAL MG1 2.610 . 3.420 2.368 2.306 2.432 . 0 0 "[ . 1]" 1
100 1 9 VAL HA 1 9 VAL MG2 2.765 . 3.730 2.454 2.386 2.515 . 0 0 "[ . 1]" 1
101 1 9 VAL HA 1 10 LEU H 2.325 . 2.850 2.116 2.052 2.222 . 0 0 "[ . 1]" 1
102 1 9 VAL HA 1 10 LEU HG 3.295 . 4.790 3.982 3.702 4.328 . 0 0 "[ . 1]" 1
103 1 9 VAL HA 1 11 PHE H 3.055 . 4.310 3.850 3.540 4.270 . 0 0 "[ . 1]" 1
104 1 9 VAL HA 1 56 VAL HA 2.655 . 3.510 2.620 2.309 3.103 . 0 0 "[ . 1]" 1
105 1 9 VAL HA 1 56 VAL HB 3.355 . 4.910 3.563 2.963 3.854 . 0 0 "[ . 1]" 1
106 1 9 VAL HA 1 56 VAL MG1 2.625 . 3.450 1.982 1.828 2.134 . 0 0 "[ . 1]" 1
107 1 9 VAL HA 1 57 LYS H 3.345 . 4.890 4.044 3.543 4.715 . 0 0 "[ . 1]" 1
108 1 9 VAL HB 1 25 VAL H 3.605 . 5.410 4.616 4.357 4.812 . 0 0 "[ . 1]" 1
109 1 9 VAL HB 1 25 VAL HA 2.720 . 3.640 2.590 2.158 3.023 . 0 0 "[ . 1]" 1
110 1 9 VAL HB 1 26 GLY H 2.505 . 3.210 2.601 2.396 2.812 . 0 0 "[ . 1]" 1
111 1 9 VAL HB 1 27 ASP H 2.495 . 3.190 2.764 2.404 3.012 . 0 0 "[ . 1]" 1
112 1 9 VAL HB 1 27 ASP QB 3.565 . 5.330 3.923 3.531 4.230 . 0 0 "[ . 1]" 1
113 1 9 VAL MG1 1 10 LEU H 2.600 . 3.400 2.794 2.361 3.043 . 0 0 "[ . 1]" 1
114 1 9 VAL MG1 1 10 LEU HA 3.005 . 4.210 3.970 3.765 4.215 0.005 9 0 "[ . 1]" 1
115 1 9 VAL MG1 1 11 PHE H 2.460 . 3.120 2.842 2.661 3.086 . 0 0 "[ . 1]" 1
116 1 9 VAL MG1 1 11 PHE QB 3.570 . 5.340 4.290 4.232 4.398 . 0 0 "[ . 1]" 1
117 1 9 VAL MG1 1 24 ILE H 2.980 . 4.160 3.047 2.537 3.708 . 0 0 "[ . 1]" 1
118 1 9 VAL MG1 1 25 VAL HA 2.335 . 2.870 2.319 2.147 2.536 . 0 0 "[ . 1]" 1
119 1 9 VAL MG1 1 29 ILE MD 2.960 . 4.120 3.768 3.474 3.969 . 0 0 "[ . 1]" 1
120 1 9 VAL MG1 1 55 PHE QB 3.570 . 5.340 3.261 3.054 3.523 . 0 0 "[ . 1]" 1
121 1 9 VAL MG2 1 24 ILE H 3.015 . 4.230 2.710 2.291 2.955 . 0 0 "[ . 1]" 1
122 1 9 VAL MG2 1 29 ILE MD 2.590 . 3.380 2.248 2.059 2.427 . 0 0 "[ . 1]" 1
123 1 10 LEU H 1 10 LEU QB 2.550 . 3.300 2.413 2.289 2.477 . 0 0 "[ . 1]" 1
124 1 10 LEU H 1 10 LEU MD1 3.195 . 4.590 3.793 3.670 3.960 . 0 0 "[ . 1]" 1
125 1 10 LEU H 1 10 LEU MD2 2.970 . 4.140 3.645 3.392 4.053 . 0 0 "[ . 1]" 1
126 1 10 LEU H 1 10 LEU HG 2.715 . 3.630 2.714 2.425 3.189 . 0 0 "[ . 1]" 1
127 1 10 LEU H 1 11 PHE H 2.560 . 3.320 2.202 2.003 2.364 . 0 0 "[ . 1]" 1
128 1 10 LEU H 1 56 VAL HA 2.725 . 3.650 2.588 2.123 2.860 . 0 0 "[ . 1]" 1
129 1 10 LEU H 1 56 VAL MG1 2.885 . 3.970 3.330 2.972 3.496 . 0 0 "[ . 1]" 1
130 1 10 LEU H 1 57 LYS H 3.540 . 5.280 4.158 3.803 4.618 . 0 0 "[ . 1]" 1
131 1 10 LEU HA 1 10 LEU MD1 2.935 . 4.070 3.867 3.826 3.896 . 0 0 "[ . 1]" 1
132 1 10 LEU HA 1 10 LEU MD2 2.585 . 3.370 2.100 2.045 2.209 . 0 0 "[ . 1]" 1
133 1 10 LEU QB 1 11 PHE H 2.860 . 3.920 2.491 2.007 2.781 . 0 0 "[ . 1]" 1
134 1 10 LEU QB 1 11 PHE QD 2.795 . 3.790 2.381 2.125 2.687 . 0 0 "[ . 1]" 1
135 1 10 LEU QB 1 11 PHE QE 2.915 . 4.030 2.949 2.653 3.142 . 0 0 "[ . 1]" 1
136 1 10 LEU QB 1 56 VAL HA 3.320 . 4.840 3.716 2.988 4.155 . 0 0 "[ . 1]" 1
137 1 10 LEU HB2 1 11 PHE QD 3.125 . 4.450 2.476 2.140 2.936 . 0 0 "[ . 1]" 1
138 1 10 LEU HB2 1 11 PHE QE 3.205 . 4.610 3.422 2.729 4.011 . 0 0 "[ . 1]" 1
139 1 10 LEU HB3 1 11 PHE QD 3.125 . 4.450 3.256 2.852 3.620 . 0 0 "[ . 1]" 1
140 1 10 LEU HB3 1 11 PHE QE 3.205 . 4.610 3.314 3.100 3.618 . 0 0 "[ . 1]" 1
141 1 10 LEU MD1 1 11 PHE QD 3.145 . 4.490 3.482 2.999 3.688 . 0 0 "[ . 1]" 1
142 1 10 LEU MD1 1 11 PHE QE 2.790 . 3.780 2.953 2.511 3.372 . 0 0 "[ . 1]" 1
143 1 10 LEU MD1 1 56 VAL H 3.645 . 5.490 4.632 3.163 5.518 0.028 7 0 "[ . 1]" 1
144 1 10 LEU MD1 1 56 VAL HA 3.115 . 4.430 3.818 3.002 4.398 . 0 0 "[ . 1]" 1
145 1 10 LEU MD1 1 57 LYS H 3.335 . 4.870 3.654 2.853 4.344 . 0 0 "[ . 1]" 1
146 1 10 LEU MD1 1 57 LYS QD 2.460 . 3.120 2.221 1.841 3.137 0.017 4 0 "[ . 1]" 1
147 1 10 LEU MD1 1 57 LYS QG 2.960 . 4.120 3.288 2.491 4.117 . 0 0 "[ . 1]" 1
148 1 10 LEU MD2 1 11 PHE QE 3.210 . 4.620 4.533 3.759 4.681 0.061 7 0 "[ . 1]" 1
149 1 10 LEU HG 1 11 PHE H 3.650 . 5.500 4.300 3.884 4.560 . 0 0 "[ . 1]" 1
150 1 11 PHE H 1 11 PHE HB2 2.995 . 4.190 2.651 2.532 2.758 . 0 0 "[ . 1]" 1
151 1 11 PHE H 1 11 PHE QB 2.660 . 3.520 2.601 2.489 2.698 . 0 0 "[ . 1]" 1
152 1 11 PHE H 1 11 PHE HB3 2.995 . 4.190 3.769 3.669 3.828 . 0 0 "[ . 1]" 1
153 1 11 PHE H 1 12 ASP H 3.510 . 5.220 4.397 4.322 4.469 . 0 0 "[ . 1]" 1
154 1 11 PHE H 1 55 PHE HB2 3.280 . 4.760 4.180 4.053 4.387 . 0 0 "[ . 1]" 1
155 1 11 PHE H 1 55 PHE QB 2.910 . 4.020 2.688 2.367 3.088 . 0 0 "[ . 1]" 1
156 1 11 PHE H 1 55 PHE HB3 3.280 . 4.760 2.724 2.382 3.156 . 0 0 "[ . 1]" 1
157 1 11 PHE H 1 56 VAL HA 3.650 . 5.500 4.216 3.902 4.866 . 0 0 "[ . 1]" 1
158 1 11 PHE HA 1 11 PHE QD 2.790 . 3.780 2.898 2.695 3.173 . 0 0 "[ . 1]" 1
159 1 11 PHE HA 1 11 PHE QE 3.650 . 5.500 4.662 4.544 4.819 . 0 0 "[ . 1]" 1
160 1 11 PHE HA 1 12 ASP H 2.360 . 2.920 2.325 2.220 2.444 . 0 0 "[ . 1]" 1
161 1 11 PHE HA 1 55 PHE QD 3.650 . 5.500 4.764 4.134 5.421 . 0 0 "[ . 1]" 1
162 1 11 PHE QB 1 12 ASP H 2.650 . 3.500 2.572 2.345 2.796 . 0 0 "[ . 1]" 1
163 1 11 PHE QB 1 55 PHE QB 3.490 . 5.180 2.344 1.963 2.849 . 0 0 "[ . 1]" 1
164 1 11 PHE QB 1 55 PHE QD 2.880 . 3.960 2.071 1.888 2.640 . 0 0 "[ . 1]" 1
165 1 11 PHE HB2 1 12 ASP H 3.055 . 4.310 3.716 3.522 3.837 . 0 0 "[ . 1]" 1
166 1 11 PHE HB3 1 12 ASP H 3.055 . 4.310 2.623 2.381 2.873 . 0 0 "[ . 1]" 1
167 1 11 PHE QD 1 12 ASP H 3.450 . 5.100 3.851 3.664 4.139 . 0 0 "[ . 1]" 1
168 1 11 PHE QD 1 55 PHE HA 3.410 . 5.020 2.570 2.036 3.334 . 0 0 "[ . 1]" 1
169 1 11 PHE QD 1 55 PHE QB 3.185 . 4.570 3.602 3.240 4.054 . 0 0 "[ . 1]" 1
170 1 12 ASP H 1 12 ASP HB2 2.770 . 3.740 2.850 2.382 3.740 0.000 2 0 "[ . 1]" 1
171 1 12 ASP H 1 12 ASP QB 2.410 . 3.020 2.483 2.272 2.699 . 0 0 "[ . 1]" 1
172 1 12 ASP H 1 12 ASP HB3 2.770 . 3.740 3.175 2.695 3.650 . 0 0 "[ . 1]" 1
173 1 12 ASP H 1 13 TYR H 3.205 . 4.610 4.511 4.456 4.536 . 0 0 "[ . 1]" 1
174 1 12 ASP HA 1 13 TYR H 2.330 . 2.860 2.231 2.093 2.343 . 0 0 "[ . 1]" 1
175 1 12 ASP QB 1 13 TYR H 2.565 . 3.330 2.772 2.306 3.341 0.011 7 0 "[ . 1]" 1
176 1 13 TYR H 1 13 TYR HB3 2.855 . 3.910 2.656 2.449 2.911 . 0 0 "[ . 1]" 1
177 1 13 TYR H 1 13 TYR QD 3.530 . 5.260 4.327 4.217 4.437 . 0 0 "[ . 1]" 1
178 1 13 TYR H 1 14 SER H 3.650 . 5.500 3.269 2.051 4.063 . 0 0 "[ . 1]" 1
179 1 13 TYR H 1 23 LEU QD 2.835 . 3.870 3.692 3.419 3.886 0.016 1 0 "[ . 1]" 1
180 1 13 TYR HA 1 13 TYR QD 2.830 . 3.860 2.435 2.264 2.622 . 0 0 "[ . 1]" 1
181 1 13 TYR HA 1 13 TYR QE 3.180 . 4.560 4.576 4.462 4.618 0.058 2 0 "[ . 1]" 1
182 1 13 TYR HA 1 55 PHE QE 3.625 . 5.450 3.923 2.458 5.231 . 0 0 "[ . 1]" 1
183 1 13 TYR HB2 1 14 SER H 3.240 . 4.680 4.086 3.750 4.322 . 0 0 "[ . 1]" 1
184 1 13 TYR HB2 1 23 LEU H 3.350 . 4.900 4.735 4.308 4.941 0.041 3 0 "[ . 1]" 1
185 1 13 TYR HB2 1 23 LEU HG 2.925 . 4.050 3.416 2.860 3.791 . 0 0 "[ . 1]" 1
186 1 13 TYR HB2 1 52 PRO HG2 3.020 . 4.240 3.669 3.266 4.250 0.010 9 0 "[ . 1]" 1
187 1 13 TYR HB2 1 55 PHE QD 2.765 . 3.730 2.684 2.173 3.277 . 0 0 "[ . 1]" 1
188 1 13 TYR HB3 1 14 SER H 3.650 . 5.500 3.545 2.295 4.376 . 0 0 "[ . 1]" 1
189 1 13 TYR HB3 1 23 LEU H 2.850 . 3.900 3.112 2.582 3.406 . 0 0 "[ . 1]" 1
190 1 13 TYR HB3 1 23 LEU HB2 2.510 . 3.220 2.243 1.905 2.815 . 0 0 "[ . 1]" 1
191 1 13 TYR HB3 1 23 LEU HB3 3.055 . 4.310 3.764 3.515 4.267 . 0 0 "[ . 1]" 1
192 1 13 TYR HB3 1 23 LEU QD 2.695 . 3.590 2.382 2.033 2.671 . 0 0 "[ . 1]" 1
193 1 13 TYR HB3 1 23 LEU HG 2.960 . 4.120 2.341 2.024 3.039 . 0 0 "[ . 1]" 1
194 1 13 TYR HB3 1 55 PHE QD 3.540 . 5.280 4.090 3.681 4.651 . 0 0 "[ . 1]" 1
195 1 13 TYR QD 1 14 SER H 3.035 . 4.270 3.474 3.210 3.732 . 0 0 "[ . 1]" 1
196 1 13 TYR QD 1 15 PRO HA 3.180 . 4.560 3.774 3.275 4.150 . 0 0 "[ . 1]" 1
197 1 13 TYR QD 1 15 PRO QD 3.390 . 4.980 3.301 3.006 3.624 . 0 0 "[ . 1]" 1
198 1 13 TYR QD 1 20 GLU HB2 3.590 . 5.380 4.373 3.831 4.835 . 0 0 "[ . 1]" 1
199 1 13 TYR QD 1 20 GLU HB3 3.650 . 5.500 4.074 3.700 4.594 . 0 0 "[ . 1]" 1
200 1 13 TYR QD 1 22 GLU HA 3.260 . 4.720 3.565 2.760 4.421 . 0 0 "[ . 1]" 1
201 1 13 TYR QD 1 23 LEU H 3.095 . 4.390 3.549 3.145 4.097 . 0 0 "[ . 1]" 1
202 1 13 TYR QD 1 23 LEU HA 3.650 . 5.500 5.395 5.137 5.546 0.046 10 0 "[ . 1]" 1
203 1 13 TYR QD 1 23 LEU HB2 3.060 . 4.320 3.950 3.367 4.351 0.031 8 0 "[ . 1]" 1
204 1 13 TYR QD 1 23 LEU HB3 3.650 . 5.500 5.143 4.724 5.519 0.019 8 0 "[ . 1]" 1
205 1 13 TYR QD 1 23 LEU MD1 3.025 . 4.250 3.284 2.905 3.644 . 0 0 "[ . 1]" 1
206 1 13 TYR QD 1 23 LEU QD 2.645 . 3.490 3.119 2.854 3.382 . 0 0 "[ . 1]" 1
207 1 13 TYR QD 1 23 LEU MD2 3.025 . 4.250 3.938 3.782 4.174 . 0 0 "[ . 1]" 1
208 1 13 TYR QD 1 23 LEU HG 2.715 . 3.630 2.575 2.373 2.875 . 0 0 "[ . 1]" 1
209 1 13 TYR QD 1 52 PRO HD2 3.240 . 4.680 3.357 2.911 3.595 . 0 0 "[ . 1]" 1
210 1 13 TYR QD 1 52 PRO HD3 3.165 . 4.530 3.878 3.650 4.198 . 0 0 "[ . 1]" 1
211 1 13 TYR QD 1 52 PRO HG2 3.060 . 4.320 3.918 3.625 4.200 . 0 0 "[ . 1]" 1
212 1 13 TYR QD 1 52 PRO HG3 3.475 . 5.150 3.604 2.853 4.253 . 0 0 "[ . 1]" 1
213 1 13 TYR QE 1 15 PRO HA 2.745 . 3.690 2.707 2.373 3.058 . 0 0 "[ . 1]" 1
214 1 13 TYR QE 1 15 PRO QB 3.005 . 4.210 2.768 2.201 3.572 . 0 0 "[ . 1]" 1
215 1 13 TYR QE 1 15 PRO HG2 3.650 . 5.500 5.156 4.225 5.542 0.042 1 0 "[ . 1]" 1
216 1 13 TYR QE 1 15 PRO HG3 3.525 . 5.250 4.157 2.658 5.126 . 0 0 "[ . 1]" 1
217 1 13 TYR QE 1 16 GLN H 3.580 . 5.360 3.962 3.460 4.474 . 0 0 "[ . 1]" 1
218 1 13 TYR QE 1 20 GLU H 3.570 . 5.340 5.130 4.713 5.424 0.084 6 0 "[ . 1]" 1
219 1 13 TYR QE 1 20 GLU HB2 3.060 . 4.320 2.616 2.119 3.194 . 0 0 "[ . 1]" 1
220 1 13 TYR QE 1 20 GLU HB3 3.175 . 4.550 2.305 2.022 2.669 . 0 0 "[ . 1]" 1
221 1 13 TYR QE 1 20 GLU QG 2.560 . 3.320 2.856 2.478 3.373 0.053 1 0 "[ . 1]" 1
222 1 13 TYR QE 1 23 LEU QD 3.355 . 4.910 4.411 4.163 4.666 . 0 0 "[ . 1]" 1
223 1 13 TYR QE 1 23 LEU HG 3.650 . 5.500 4.705 4.443 5.014 . 0 0 "[ . 1]" 1
224 1 13 TYR QE 1 39 TRP HE3 3.650 . 5.500 5.511 5.425 5.538 0.038 7 0 "[ . 1]" 1
225 1 13 TYR QE 1 39 TRP HZ2 3.640 . 5.480 5.181 4.851 5.496 0.016 2 0 "[ . 1]" 1
226 1 13 TYR QE 1 51 PHE HA 3.355 . 4.910 3.974 3.850 4.218 . 0 0 "[ . 1]" 1
227 1 13 TYR QE 1 52 PRO HD2 3.260 . 4.720 3.846 3.495 4.211 . 0 0 "[ . 1]" 1
228 1 13 TYR QE 1 52 PRO HD3 3.040 . 4.280 3.300 3.087 3.593 . 0 0 "[ . 1]" 1
229 1 13 TYR QE 1 52 PRO HG2 3.270 . 4.740 4.509 4.101 4.771 0.031 4 0 "[ . 1]" 1
230 1 13 TYR QE 1 52 PRO HG3 3.170 . 4.540 3.434 3.142 3.825 . 0 0 "[ . 1]" 1
231 1 14 SER H 1 14 SER HB2 2.815 . 3.830 2.863 2.404 3.498 . 0 0 "[ . 1]" 1
232 1 14 SER H 1 14 SER QB 2.490 . 3.180 2.644 2.289 3.260 0.080 10 0 "[ . 1]" 1
233 1 14 SER H 1 14 SER HB3 2.815 . 3.830 3.302 2.501 3.893 0.063 10 0 "[ . 1]" 1
234 1 14 SER H 1 15 PRO HD2 3.230 . 4.660 4.365 3.829 4.715 0.055 9 0 "[ . 1]" 1
235 1 14 SER H 1 15 PRO QD 2.800 . 3.800 3.526 2.670 3.947 0.147 1 0 "[ . 1]" 1
236 1 14 SER H 1 15 PRO HD3 3.230 . 4.660 3.758 2.711 4.298 . 0 0 "[ . 1]" 1
237 1 15 PRO HA 1 16 GLN H 2.435 . 3.070 2.255 2.106 2.378 . 0 0 "[ . 1]" 1
238 1 15 PRO HA 1 16 GLN QB 3.135 . 4.470 4.275 3.940 4.476 0.006 5 0 "[ . 1]" 1
239 1 15 PRO HA 1 17 ASN H 3.035 . 4.270 3.959 3.673 4.310 0.040 6 0 "[ . 1]" 1
240 1 15 PRO HA 1 20 GLU HB2 3.340 . 4.880 3.376 2.861 3.816 . 0 0 "[ . 1]" 1
241 1 15 PRO QD 1 22 GLU H 3.575 . 5.350 4.556 3.998 5.284 . 0 0 "[ . 1]" 1
242 1 15 PRO QD 1 22 GLU HA 3.190 . 4.580 2.444 2.063 2.930 . 0 0 "[ . 1]" 1
243 1 15 PRO QD 1 22 GLU HG2 2.815 . 3.830 2.771 1.983 3.378 . 0 0 "[ . 1]" 1
244 1 15 PRO QD 1 22 GLU HG3 2.680 . 3.560 2.938 2.042 3.586 0.026 10 0 "[ . 1]" 1
245 1 15 PRO QD 1 23 LEU H 3.050 . 4.300 3.333 2.522 3.820 . 0 0 "[ . 1]" 1
246 1 15 PRO HD2 1 22 GLU HG2 3.150 . 4.500 3.083 2.024 3.855 . 0 0 "[ . 1]" 1
247 1 15 PRO HD2 1 22 GLU HG3 2.965 . 4.130 3.386 2.304 4.152 0.022 3 0 "[ . 1]" 1
248 1 15 PRO HD3 1 22 GLU HG2 3.150 . 4.500 3.266 2.400 4.014 . 0 0 "[ . 1]" 1
249 1 15 PRO HD3 1 22 GLU HG3 2.965 . 4.130 3.265 2.168 4.122 . 0 0 "[ . 1]" 1
250 1 15 PRO HG2 1 17 ASN H 3.380 . 4.960 4.839 4.367 5.059 0.099 8 0 "[ . 1]" 1
251 1 15 PRO HG2 1 22 GLU HG2 3.175 . 4.550 3.602 2.530 4.566 0.016 8 0 "[ . 1]" 1
252 1 16 GLN H 1 16 GLN HB2 2.755 . 3.710 2.508 2.377 2.636 . 0 0 "[ . 1]" 1
253 1 16 GLN H 1 16 GLN QB 2.480 . 3.160 2.366 2.193 2.517 . 0 0 "[ . 1]" 1
254 1 16 GLN H 1 16 GLN HB3 2.755 . 3.710 3.249 2.346 3.686 . 0 0 "[ . 1]" 1
255 1 16 GLN H 1 16 GLN HG2 3.250 . 4.700 3.525 2.313 4.466 . 0 0 "[ . 1]" 1
256 1 16 GLN H 1 16 GLN QG 2.945 . 4.090 2.927 2.048 4.002 . 0 0 "[ . 1]" 1
257 1 16 GLN H 1 16 GLN HG3 3.250 . 4.700 3.522 2.073 4.519 . 0 0 "[ . 1]" 1
258 1 16 GLN H 1 17 ASN H 2.555 . 3.310 2.148 2.062 2.441 . 0 0 "[ . 1]" 1
259 1 16 GLN HA 1 16 GLN QG 2.620 . 3.440 2.631 2.449 2.978 . 0 0 "[ . 1]" 1
260 1 16 GLN QB 1 17 ASN H 2.845 . 3.890 2.614 2.230 3.127 . 0 0 "[ . 1]" 1
261 1 16 GLN QB 1 17 ASN QD 3.215 . 4.630 3.691 2.287 4.651 0.021 6 0 "[ . 1]" 1
262 1 16 GLN QG 1 17 ASN H 3.435 . 5.070 3.947 3.655 4.702 . 0 0 "[ . 1]" 1
263 1 17 ASN H 1 17 ASN HB2 2.920 . 4.040 2.628 2.445 2.728 . 0 0 "[ . 1]" 1
264 1 17 ASN H 1 17 ASN QB 2.610 . 3.420 2.579 2.410 2.671 . 0 0 "[ . 1]" 1
265 1 17 ASN H 1 17 ASN HB3 2.920 . 4.040 3.753 3.646 3.807 . 0 0 "[ . 1]" 1
266 1 17 ASN H 1 18 GLU H 3.650 . 5.500 4.128 2.497 4.369 . 0 0 "[ . 1]" 1
267 1 17 ASN HA 1 18 GLU H 2.440 . 3.080 2.716 2.350 3.310 0.230 8 0 "[ . 1]" 1
268 1 17 ASN HA 1 19 ASP H 3.290 . 4.780 4.125 3.840 4.664 . 0 0 "[ . 1]" 1
269 1 17 ASN QB 1 17 ASN QD 2.335 . 2.870 2.272 2.073 2.713 . 0 0 "[ . 1]" 1
270 1 17 ASN QB 1 18 GLU H 2.410 . 3.020 2.050 1.792 2.568 0.008 10 0 "[ . 1]" 1
271 1 17 ASN QB 1 19 ASP H 2.715 . 3.630 2.313 2.138 2.461 . 0 0 "[ . 1]" 1
272 1 17 ASN QB 1 20 GLU H 3.155 . 4.510 3.284 2.791 3.584 . 0 0 "[ . 1]" 1
273 1 17 ASN HB2 1 18 GLU H 2.730 . 3.660 3.070 1.839 3.687 0.027 1 0 "[ . 1]" 1
274 1 17 ASN HB3 1 18 GLU H 2.730 . 3.660 2.153 1.806 2.620 . 0 0 "[ . 1]" 1
275 1 18 GLU H 1 18 GLU HB2 2.795 . 3.790 3.224 2.496 3.727 . 0 0 "[ . 1]" 1
276 1 18 GLU H 1 18 GLU QB 2.440 . 3.080 2.704 2.457 3.089 0.009 8 0 "[ . 1]" 1
277 1 18 GLU H 1 18 GLU HB3 2.795 . 3.790 3.237 2.746 3.686 . 0 0 "[ . 1]" 1
278 1 18 GLU H 1 18 GLU HG2 3.505 . 5.210 3.096 1.988 4.743 . 0 0 "[ . 1]" 1
279 1 18 GLU H 1 18 GLU QG 3.150 . 4.500 2.663 1.968 4.334 . 0 0 "[ . 1]" 1
280 1 18 GLU H 1 18 GLU HG3 3.505 . 5.210 3.298 2.558 5.011 . 0 0 "[ . 1]" 1
281 1 18 GLU H 1 19 ASP H 2.865 . 3.930 2.319 1.801 2.654 . 0 0 "[ . 1]" 1
282 1 18 GLU H 1 20 GLU H 3.650 . 5.500 4.289 2.745 4.785 . 0 0 "[ . 1]" 1
283 1 18 GLU QB 1 19 ASP H 3.100 . 4.400 3.565 2.852 3.939 . 0 0 "[ . 1]" 1
284 1 18 GLU HG2 1 19 ASP H 3.650 . 5.500 4.379 3.272 5.500 0.000 6 0 "[ . 1]" 1
285 1 18 GLU HG3 1 19 ASP H 3.650 . 5.500 4.390 3.231 5.105 . 0 0 "[ . 1]" 1
286 1 19 ASP H 1 19 ASP HB2 2.670 . 3.540 2.452 2.302 2.667 . 0 0 "[ . 1]" 1
287 1 19 ASP H 1 19 ASP QB 2.345 . 2.890 2.289 2.207 2.347 . 0 0 "[ . 1]" 1
288 1 19 ASP H 1 19 ASP HB3 2.670 . 3.540 3.056 2.444 3.582 0.042 2 0 "[ . 1]" 1
289 1 19 ASP H 1 20 GLU H 2.550 . 3.300 2.428 2.201 2.634 . 0 0 "[ . 1]" 1
290 1 19 ASP H 1 20 GLU HB2 3.565 . 5.330 4.813 4.399 5.148 . 0 0 "[ . 1]" 1
291 1 20 GLU H 1 20 GLU HB2 2.450 . 3.100 2.651 2.370 2.818 . 0 0 "[ . 1]" 1
292 1 20 GLU H 1 20 GLU HG2 2.955 . 4.110 3.816 3.720 4.103 . 0 0 "[ . 1]" 1
293 1 20 GLU H 1 20 GLU QG 2.595 . 3.390 2.785 2.426 3.405 0.015 2 0 "[ . 1]" 1
294 1 20 GLU H 1 20 GLU HG3 2.955 . 4.110 2.873 2.456 3.636 . 0 0 "[ . 1]" 1
295 1 20 GLU HA 1 20 GLU HG2 2.825 . 3.850 3.619 2.719 3.781 . 0 0 "[ . 1]" 1
296 1 20 GLU HA 1 20 GLU HG3 2.825 . 3.850 2.685 2.517 2.903 . 0 0 "[ . 1]" 1
297 1 20 GLU HA 1 21 LEU H 2.420 . 3.040 2.341 2.111 2.577 . 0 0 "[ . 1]" 1
298 1 20 GLU HA 1 49 GLY QA 3.465 . 5.130 3.774 3.226 4.375 . 0 0 "[ . 1]" 1
299 1 20 GLU HA 1 50 LEU H 2.465 . 3.130 2.629 1.983 3.165 0.035 5 0 "[ . 1]" 1
300 1 20 GLU HB3 1 20 GLU QG 2.155 . 2.510 2.155 2.132 2.217 . 0 0 "[ . 1]" 1
301 1 20 GLU HB3 1 21 LEU H 2.965 . 4.130 2.546 2.074 3.237 . 0 0 "[ . 1]" 1
302 1 20 GLU HB3 1 50 LEU H 3.650 . 5.500 4.550 3.521 5.128 . 0 0 "[ . 1]" 1
303 1 20 GLU HB3 1 50 LEU QD 3.620 . 5.440 5.229 4.726 5.483 0.043 1 0 "[ . 1]" 1
304 1 20 GLU QG 1 21 LEU H 3.250 . 4.700 4.033 3.849 4.264 . 0 0 "[ . 1]" 1
305 1 20 GLU HG2 1 39 TRP HE3 3.650 . 5.500 4.863 4.005 5.370 . 0 0 "[ . 1]" 1
306 1 20 GLU HG3 1 39 TRP HE3 3.650 . 5.500 4.956 3.912 5.528 0.028 10 0 "[ . 1]" 1
307 1 21 LEU H 1 21 LEU HB2 2.695 . 3.590 2.688 2.544 2.927 . 0 0 "[ . 1]" 1
308 1 21 LEU H 1 21 LEU QB 2.470 . 3.140 2.280 2.208 2.390 . 0 0 "[ . 1]" 1
309 1 21 LEU H 1 21 LEU HB3 2.695 . 3.590 2.469 2.402 2.545 . 0 0 "[ . 1]" 1
310 1 21 LEU H 1 21 LEU MD1 3.185 . 4.570 4.187 4.124 4.296 . 0 0 "[ . 1]" 1
311 1 21 LEU H 1 21 LEU QD 2.875 . 3.950 3.772 3.704 3.869 . 0 0 "[ . 1]" 1
312 1 21 LEU H 1 21 LEU MD2 3.185 . 4.570 4.284 4.194 4.395 . 0 0 "[ . 1]" 1
313 1 21 LEU H 1 21 LEU HG 3.120 . 4.440 4.438 4.390 4.464 0.024 3 0 "[ . 1]" 1
314 1 21 LEU H 1 22 GLU H 3.650 . 5.500 4.455 4.338 4.532 . 0 0 "[ . 1]" 1
315 1 21 LEU H 1 49 GLY QA 3.260 . 4.720 3.569 3.208 3.958 . 0 0 "[ . 1]" 1
316 1 21 LEU H 1 51 PHE QB 3.340 . 4.880 3.129 2.727 3.514 . 0 0 "[ . 1]" 1
317 1 21 LEU HA 1 21 LEU MD1 3.025 . 4.250 2.095 2.010 2.188 . 0 0 "[ . 1]" 1
318 1 21 LEU HA 1 21 LEU QD 2.430 . 3.060 2.086 2.004 2.177 . 0 0 "[ . 1]" 1
319 1 21 LEU HA 1 21 LEU MD2 3.025 . 4.250 3.872 3.839 3.898 . 0 0 "[ . 1]" 1
320 1 21 LEU HA 1 21 LEU HG 2.595 . 3.390 3.149 3.054 3.310 . 0 0 "[ . 1]" 1
321 1 21 LEU HA 1 22 GLU H 2.300 . 2.800 2.156 2.088 2.213 . 0 0 "[ . 1]" 1
322 1 21 LEU QB 1 49 GLY H 3.010 . 4.220 3.209 2.978 3.603 . 0 0 "[ . 1]" 1
323 1 21 LEU QB 1 49 GLY QA 2.860 . 3.920 2.341 1.951 3.018 . 0 0 "[ . 1]" 1
324 1 21 LEU QB 1 50 LEU H 3.025 . 4.250 3.468 2.971 3.879 . 0 0 "[ . 1]" 1
325 1 21 LEU QB 1 51 PHE QB 2.765 . 3.730 2.014 1.882 2.134 . 0 0 "[ . 1]" 1
326 1 21 LEU QB 1 51 PHE QD 3.195 . 4.590 2.545 2.325 3.006 . 0 0 "[ . 1]" 1
327 1 21 LEU HB2 1 22 GLU H 3.530 . 5.260 4.180 4.003 4.309 . 0 0 "[ . 1]" 1
328 1 21 LEU HB2 1 50 LEU H 3.430 . 5.060 3.619 3.033 4.120 . 0 0 "[ . 1]" 1
329 1 21 LEU HB3 1 22 GLU H 3.530 . 5.260 4.090 3.805 4.333 . 0 0 "[ . 1]" 1
330 1 21 LEU HB3 1 50 LEU H 3.430 . 5.060 4.485 4.249 4.734 . 0 0 "[ . 1]" 1
331 1 21 LEU QD 1 22 GLU H 2.795 . 3.790 2.296 2.057 2.472 . 0 0 "[ . 1]" 1
332 1 21 LEU QD 1 29 ILE MD 3.030 . 4.260 2.142 1.987 2.344 . 0 0 "[ . 1]" 1
333 1 21 LEU QD 1 29 ILE MG 2.765 . 3.730 2.203 1.966 2.502 . 0 0 "[ . 1]" 1
334 1 21 LEU QD 1 42 GLY H 3.215 . 4.630 3.468 3.114 3.849 . 0 0 "[ . 1]" 1
335 1 21 LEU QD 1 43 THR H 3.165 . 4.530 3.922 3.471 4.333 . 0 0 "[ . 1]" 1
336 1 21 LEU QD 1 43 THR HA 3.230 . 4.660 2.684 2.266 3.369 . 0 0 "[ . 1]" 1
337 1 21 LEU QD 1 44 LEU H 2.730 . 3.660 2.368 2.042 2.733 . 0 0 "[ . 1]" 1
338 1 21 LEU QD 1 49 GLY H 2.880 . 3.960 2.686 2.434 3.147 . 0 0 "[ . 1]" 1
339 1 21 LEU QD 1 49 GLY QA 2.910 . 4.020 2.960 2.163 3.767 . 0 0 "[ . 1]" 1
340 1 21 LEU QD 1 51 PHE QB 2.955 . 4.110 2.984 2.300 3.180 . 0 0 "[ . 1]" 1
341 1 21 LEU QD 1 51 PHE QD 2.705 . 3.610 2.392 2.225 2.592 . 0 0 "[ . 1]" 1
342 1 21 LEU QD 1 51 PHE QE 3.035 . 4.270 3.033 2.698 3.481 . 0 0 "[ . 1]" 1
343 1 21 LEU MD1 1 22 GLU H 3.390 . 4.980 2.304 2.063 2.480 . 0 0 "[ . 1]" 1
344 1 21 LEU MD1 1 44 LEU H 3.020 . 4.240 2.602 2.109 3.199 . 0 0 "[ . 1]" 1
345 1 21 LEU MD2 1 22 GLU H 3.390 . 4.980 4.428 4.045 4.746 . 0 0 "[ . 1]" 1
346 1 21 LEU MD2 1 44 LEU H 3.020 . 4.240 2.824 2.390 3.536 . 0 0 "[ . 1]" 1
347 1 21 LEU HG 1 22 GLU H 2.825 . 3.850 3.020 2.493 3.499 . 0 0 "[ . 1]" 1
348 1 21 LEU HG 1 51 PHE QD 3.650 . 5.500 4.366 4.160 4.553 . 0 0 "[ . 1]" 1
349 1 22 GLU H 1 22 GLU QB 2.480 . 3.160 2.346 1.928 2.584 . 0 0 "[ . 1]" 1
350 1 22 GLU H 1 22 GLU HG2 3.450 . 5.100 3.862 3.621 4.321 . 0 0 "[ . 1]" 1
351 1 22 GLU H 1 22 GLU HG3 2.630 . 3.460 2.723 2.259 3.612 0.152 8 0 "[ . 1]" 1
352 1 22 GLU H 1 23 LEU H 3.650 . 5.500 4.348 4.146 4.503 . 0 0 "[ . 1]" 1
353 1 22 GLU HA 1 23 LEU H 2.315 . 2.830 2.057 1.886 2.276 . 0 0 "[ . 1]" 1
354 1 22 GLU QB 1 22 GLU HG2 2.175 . 2.550 2.181 2.060 2.376 . 0 0 "[ . 1]" 1
355 1 22 GLU HG2 1 23 LEU H 2.995 . 4.190 4.053 3.040 4.327 0.137 6 0 "[ . 1]" 1
356 1 22 GLU HG3 1 23 LEU H 3.080 . 4.360 4.310 3.916 4.549 0.189 2 0 "[ . 1]" 1
357 1 23 LEU H 1 23 LEU HB2 2.610 . 3.420 2.656 2.450 2.813 . 0 0 "[ . 1]" 1
358 1 23 LEU H 1 23 LEU HB3 2.920 . 4.040 3.745 3.628 3.866 . 0 0 "[ . 1]" 1
359 1 23 LEU H 1 23 LEU MD1 3.180 . 4.560 4.092 3.934 4.390 . 0 0 "[ . 1]" 1
360 1 23 LEU H 1 23 LEU QD 2.850 . 3.900 3.225 3.026 3.588 . 0 0 "[ . 1]" 1
361 1 23 LEU H 1 23 LEU MD2 3.180 . 4.560 3.378 3.145 3.807 . 0 0 "[ . 1]" 1
362 1 23 LEU H 1 23 LEU HG 2.760 . 3.720 2.816 2.542 3.351 . 0 0 "[ . 1]" 1
363 1 23 LEU HA 1 24 ILE H 2.345 . 2.890 2.109 2.065 2.208 . 0 0 "[ . 1]" 1
364 1 23 LEU HB2 1 23 LEU MD1 2.915 . 4.030 2.409 2.390 2.439 . 0 0 "[ . 1]" 1
365 1 23 LEU HB2 1 23 LEU MD2 2.915 . 4.030 3.187 3.166 3.200 . 0 0 "[ . 1]" 1
366 1 23 LEU HB3 1 23 LEU QD 2.400 . 3.000 2.107 2.083 2.128 . 0 0 "[ . 1]" 1
367 1 23 LEU HB3 1 24 ILE H 2.850 . 3.900 3.564 3.249 3.783 . 0 0 "[ . 1]" 1
368 1 23 LEU QD 1 24 ILE H 3.145 . 4.490 3.670 3.456 3.767 . 0 0 "[ . 1]" 1
369 1 23 LEU QD 1 29 ILE MD 2.405 . 3.010 1.871 1.831 1.913 . 0 0 "[ . 1]" 1
370 1 23 LEU QD 1 51 PHE HA 3.245 . 4.690 3.624 3.406 3.757 . 0 0 "[ . 1]" 1
371 1 23 LEU QD 1 51 PHE QB 2.440 . 3.080 1.852 1.785 1.952 0.015 3 0 "[ . 1]" 1
372 1 23 LEU QD 1 51 PHE QD 2.790 . 3.780 2.733 2.611 2.987 . 0 0 "[ . 1]" 1
373 1 23 LEU QD 1 51 PHE QE 3.620 . 5.440 3.970 3.840 4.251 . 0 0 "[ . 1]" 1
374 1 23 LEU QD 1 52 PRO HD2 2.620 . 3.440 2.397 2.086 2.588 . 0 0 "[ . 1]" 1
375 1 23 LEU QD 1 52 PRO HD3 2.915 . 4.030 3.823 3.549 4.033 0.003 10 0 "[ . 1]" 1
376 1 23 LEU QD 1 55 PHE QB 3.350 . 4.900 2.088 1.969 2.427 . 0 0 "[ . 1]" 1
377 1 23 LEU QD 1 55 PHE QD 2.700 . 3.600 2.504 2.312 3.078 . 0 0 "[ . 1]" 1
378 1 23 LEU MD1 1 29 ILE MD 2.685 . 3.570 3.576 3.423 3.642 0.072 4 0 "[ . 1]" 1
379 1 23 LEU MD1 1 51 PHE HB2 3.420 . 5.040 2.471 1.994 3.033 . 0 0 "[ . 1]" 1
380 1 23 LEU MD1 1 51 PHE HB3 3.420 . 5.040 3.794 3.410 4.319 . 0 0 "[ . 1]" 1
381 1 23 LEU MD2 1 29 ILE MD 2.685 . 3.570 1.878 1.837 1.920 . 0 0 "[ . 1]" 1
382 1 23 LEU MD2 1 51 PHE HB2 3.420 . 5.040 2.040 1.856 2.210 . 0 0 "[ . 1]" 1
383 1 23 LEU MD2 1 51 PHE HB3 3.420 . 5.040 2.508 2.252 2.936 . 0 0 "[ . 1]" 1
384 1 23 LEU HG 1 51 PHE QB 3.570 . 5.340 3.211 2.953 3.452 . 0 0 "[ . 1]" 1
385 1 24 ILE H 1 24 ILE HB 2.590 . 3.380 2.567 2.437 2.702 . 0 0 "[ . 1]" 1
386 1 24 ILE H 1 24 ILE MD 3.120 . 4.440 3.736 3.528 4.011 . 0 0 "[ . 1]" 1
387 1 24 ILE H 1 24 ILE HG12 3.210 . 4.620 3.320 2.596 3.903 . 0 0 "[ . 1]" 1
388 1 24 ILE H 1 24 ILE QG 2.805 . 3.810 2.570 2.344 2.734 . 0 0 "[ . 1]" 1
389 1 24 ILE H 1 24 ILE HG13 3.210 . 4.620 3.150 2.375 4.095 . 0 0 "[ . 1]" 1
390 1 24 ILE H 1 24 ILE MG 3.180 . 4.560 3.809 3.770 3.861 . 0 0 "[ . 1]" 1
391 1 24 ILE H 1 25 VAL H 3.440 . 5.080 4.330 4.235 4.497 . 0 0 "[ . 1]" 1
392 1 24 ILE H 1 27 ASP H 3.520 . 5.240 4.808 4.322 5.051 . 0 0 "[ . 1]" 1
393 1 24 ILE H 1 27 ASP QB 3.180 . 4.560 3.820 3.248 4.374 . 0 0 "[ . 1]" 1
394 1 24 ILE HA 1 25 VAL H 2.600 . 3.400 2.114 1.955 2.219 . 0 0 "[ . 1]" 1
395 1 24 ILE HB 1 27 ASP H 3.320 . 4.840 4.086 3.876 4.460 . 0 0 "[ . 1]" 1
396 1 24 ILE MG 1 25 VAL H 2.230 . 2.660 2.691 2.571 2.734 0.074 8 0 "[ . 1]" 1
397 1 25 VAL H 1 25 VAL HB 2.520 . 3.240 2.566 2.458 2.670 . 0 0 "[ . 1]" 1
398 1 25 VAL H 1 25 VAL QG 2.750 . 3.700 2.075 1.915 2.170 . 0 0 "[ . 1]" 1
399 1 25 VAL H 1 26 GLY H 3.465 . 5.130 4.509 4.394 4.603 . 0 0 "[ . 1]" 1
400 1 25 VAL HA 1 25 VAL MG1 2.555 . 3.310 2.823 2.385 3.250 . 0 0 "[ . 1]" 1
401 1 25 VAL HA 1 25 VAL QG 2.330 . 2.860 2.232 2.127 2.351 . 0 0 "[ . 1]" 1
402 1 25 VAL HA 1 25 VAL MG2 2.555 . 3.310 2.384 2.362 2.418 . 0 0 "[ . 1]" 1
403 1 25 VAL HA 1 26 GLY H 2.315 . 2.830 2.109 2.067 2.177 . 0 0 "[ . 1]" 1
404 1 25 VAL HA 1 26 GLY QA 3.225 . 4.650 3.876 3.843 3.912 . 0 0 "[ . 1]" 1
405 1 25 VAL HA 1 27 ASP H 2.840 . 3.880 3.497 3.260 3.883 0.003 2 0 "[ . 1]" 1
406 1 25 VAL HB 1 26 GLY H 3.160 . 4.520 4.184 4.099 4.257 . 0 0 "[ . 1]" 1
407 1 25 VAL QG 1 26 GLY H 2.475 . 3.150 2.657 2.420 2.828 . 0 0 "[ . 1]" 1
408 1 25 VAL QG 1 26 GLY QA 2.765 . 3.730 3.020 2.923 3.131 . 0 0 "[ . 1]" 1
409 1 25 VAL QG 1 27 ASP H 3.380 . 4.960 4.233 4.087 4.460 . 0 0 "[ . 1]" 1
410 1 25 VAL MG1 1 26 GLY H 2.900 . 4.000 3.376 2.673 4.040 0.040 8 0 "[ . 1]" 1
411 1 25 VAL MG2 1 26 GLY H 2.900 . 4.000 3.318 2.446 4.044 0.044 4 0 "[ . 1]" 1
412 1 27 ASP H 1 27 ASP HB2 2.765 . 3.730 2.532 2.270 2.783 . 0 0 "[ . 1]" 1
413 1 27 ASP H 1 27 ASP QB 2.450 . 3.100 2.366 2.243 2.484 . 0 0 "[ . 1]" 1
414 1 27 ASP H 1 27 ASP HB3 2.765 . 3.730 2.924 2.676 3.516 . 0 0 "[ . 1]" 1
415 1 27 ASP HA 1 28 VAL H 2.325 . 2.850 2.578 2.250 2.760 . 0 0 "[ . 1]" 1
416 1 27 ASP QB 1 28 VAL H 2.760 . 3.720 2.760 2.474 2.976 . 0 0 "[ . 1]" 1
417 1 27 ASP HB2 1 28 VAL H 3.115 . 4.430 3.782 3.636 3.969 . 0 0 "[ . 1]" 1
418 1 27 ASP HB3 1 28 VAL H 3.115 . 4.430 2.843 2.518 3.137 . 0 0 "[ . 1]" 1
419 1 28 VAL H 1 28 VAL HB 2.425 . 3.050 2.806 2.557 3.097 0.047 3 0 "[ . 1]" 1
420 1 28 VAL H 1 28 VAL MG1 3.070 . 4.340 3.380 2.226 3.911 . 0 0 "[ . 1]" 1
421 1 28 VAL H 1 28 VAL QG 2.505 . 3.210 2.502 2.213 2.831 . 0 0 "[ . 1]" 1
422 1 28 VAL H 1 28 VAL MG2 3.070 . 4.340 3.046 2.373 3.948 . 0 0 "[ . 1]" 1
423 1 28 VAL HA 1 29 ILE H 2.285 . 2.770 2.174 2.121 2.225 . 0 0 "[ . 1]" 1
424 1 28 VAL HB 1 29 ILE H 3.210 . 4.620 4.055 3.925 4.133 . 0 0 "[ . 1]" 1
425 1 28 VAL QG 1 29 ILE H 2.590 . 3.380 2.496 2.381 2.612 . 0 0 "[ . 1]" 1
426 1 28 VAL QG 1 29 ILE HA 2.975 . 4.150 3.718 3.526 3.919 . 0 0 "[ . 1]" 1
427 1 28 VAL MG1 1 29 ILE H 2.985 . 4.170 2.931 2.429 3.831 . 0 0 "[ . 1]" 1
428 1 28 VAL MG2 1 29 ILE H 2.985 . 4.170 3.579 2.406 4.121 . 0 0 "[ . 1]" 1
429 1 29 ILE H 1 29 ILE HB 2.520 . 3.240 2.553 2.397 2.621 . 0 0 "[ . 1]" 1
430 1 29 ILE H 1 29 ILE MD 3.280 . 4.760 3.849 3.731 3.979 . 0 0 "[ . 1]" 1
431 1 29 ILE H 1 29 ILE QG 2.795 . 3.790 2.576 2.511 2.693 . 0 0 "[ . 1]" 1
432 1 29 ILE H 1 29 ILE MG 3.260 . 4.720 3.818 3.752 3.849 . 0 0 "[ . 1]" 1
433 1 29 ILE H 1 30 ASP H 3.440 . 5.080 4.391 4.209 4.532 . 0 0 "[ . 1]" 1
434 1 29 ILE HA 1 29 ILE MD 3.140 . 4.480 3.841 3.800 3.885 . 0 0 "[ . 1]" 1
435 1 29 ILE HA 1 29 ILE HG12 2.935 . 4.070 2.573 2.486 2.671 . 0 0 "[ . 1]" 1
436 1 29 ILE HA 1 29 ILE QG 2.585 . 3.370 2.441 2.367 2.511 . 0 0 "[ . 1]" 1
437 1 29 ILE HA 1 29 ILE HG13 2.935 . 4.070 3.036 2.971 3.089 . 0 0 "[ . 1]" 1
438 1 29 ILE HA 1 29 ILE MG 2.460 . 3.120 2.406 2.350 2.489 . 0 0 "[ . 1]" 1
439 1 29 ILE HA 1 30 ASP H 2.330 . 2.860 2.174 2.090 2.222 . 0 0 "[ . 1]" 1
440 1 29 ILE HB 1 29 ILE MD 2.535 . 3.270 2.399 2.359 2.432 . 0 0 "[ . 1]" 1
441 1 29 ILE HB 1 30 ASP H 3.185 . 4.570 4.094 4.007 4.240 . 0 0 "[ . 1]" 1
442 1 29 ILE HB 1 51 PHE QD 3.650 . 5.500 5.195 4.813 5.510 0.010 2 0 "[ . 1]" 1
443 1 29 ILE MD 1 29 ILE MG 2.470 . 3.140 1.924 1.901 1.948 . 0 0 "[ . 1]" 1
444 1 29 ILE MD 1 51 PHE QD 3.115 . 4.430 3.277 3.001 3.520 . 0 0 "[ . 1]" 1
445 1 29 ILE MD 1 51 PHE QE 2.970 . 4.140 3.273 3.050 3.497 . 0 0 "[ . 1]" 1
446 1 29 ILE MD 1 51 PHE HZ 3.280 . 4.760 3.813 3.458 4.158 . 0 0 "[ . 1]" 1
447 1 29 ILE MD 1 56 VAL HB 3.650 . 5.500 4.022 3.582 4.786 . 0 0 "[ . 1]" 1
448 1 29 ILE MD 1 56 VAL MG1 2.770 . 3.740 2.261 2.036 2.772 . 0 0 "[ . 1]" 1
449 1 29 ILE MD 1 56 VAL MG2 2.960 . 4.120 3.657 3.019 4.131 0.011 5 0 "[ . 1]" 1
450 1 29 ILE MG 1 30 ASP H 2.635 . 3.470 2.591 2.438 2.868 . 0 0 "[ . 1]" 1
451 1 29 ILE MG 1 31 VAL H 3.620 . 5.440 3.732 3.260 4.233 . 0 0 "[ . 1]" 1
452 1 29 ILE MG 1 31 VAL HA 2.995 . 4.190 3.267 2.889 3.479 . 0 0 "[ . 1]" 1
453 1 29 ILE MG 1 31 VAL QG 2.960 . 4.120 3.193 2.301 3.830 . 0 0 "[ . 1]" 1
454 1 29 ILE MG 1 42 GLY H 3.625 . 5.450 4.152 3.909 4.523 . 0 0 "[ . 1]" 1
455 1 29 ILE MG 1 43 THR H 3.065 . 4.330 2.905 2.598 3.087 . 0 0 "[ . 1]" 1
456 1 29 ILE MG 1 51 PHE QD 3.120 . 4.440 3.516 3.131 3.765 . 0 0 "[ . 1]" 1
457 1 29 ILE MG 1 51 PHE QE 2.690 . 3.580 2.569 2.454 2.796 . 0 0 "[ . 1]" 1
458 1 29 ILE MG 1 51 PHE HZ 2.900 . 4.000 2.823 2.528 3.213 . 0 0 "[ . 1]" 1
459 1 30 ASP H 1 30 ASP HB2 2.840 . 3.880 2.706 2.428 2.821 . 0 0 "[ . 1]" 1
460 1 30 ASP H 1 30 ASP QB 2.455 . 3.110 2.325 2.272 2.393 . 0 0 "[ . 1]" 1
461 1 30 ASP H 1 30 ASP HB3 2.840 . 3.880 2.618 2.424 3.617 . 0 0 "[ . 1]" 1
462 1 30 ASP H 1 31 VAL H 3.650 . 5.500 4.211 4.008 4.494 . 0 0 "[ . 1]" 1
463 1 30 ASP H 1 31 VAL HA 3.620 . 5.440 4.960 4.614 5.134 . 0 0 "[ . 1]" 1
464 1 30 ASP H 1 43 THR H 3.120 . 4.440 3.457 3.252 3.696 . 0 0 "[ . 1]" 1
465 1 30 ASP H 1 43 THR MG 3.380 . 4.960 3.623 3.219 4.621 . 0 0 "[ . 1]" 1
466 1 30 ASP H 1 44 LEU HA 3.415 . 5.030 3.542 3.171 4.100 . 0 0 "[ . 1]" 1
467 1 30 ASP H 1 44 LEU QD 3.620 . 5.440 4.420 3.550 4.927 . 0 0 "[ . 1]" 1
468 1 30 ASP HA 1 31 VAL H 2.380 . 2.960 2.136 2.086 2.189 . 0 0 "[ . 1]" 1
469 1 30 ASP QB 1 31 VAL H 3.010 . 4.220 3.870 3.651 3.970 . 0 0 "[ . 1]" 1
470 1 30 ASP QB 1 31 VAL HA 3.570 . 5.340 4.689 4.285 4.815 . 0 0 "[ . 1]" 1
471 1 30 ASP QB 1 43 THR MG 2.930 . 4.060 2.567 2.129 3.601 . 0 0 "[ . 1]" 1
472 1 30 ASP HB2 1 43 THR MG 3.210 . 4.620 3.758 2.153 4.634 0.014 9 0 "[ . 1]" 1
473 1 30 ASP HB3 1 43 THR MG 3.210 . 4.620 2.730 2.150 3.754 . 0 0 "[ . 1]" 1
474 1 31 VAL H 1 31 VAL HB 2.525 . 3.250 2.669 2.519 2.909 . 0 0 "[ . 1]" 1
475 1 31 VAL H 1 31 VAL MG1 3.135 . 4.470 2.899 1.931 3.813 . 0 0 "[ . 1]" 1
476 1 31 VAL H 1 31 VAL QG 2.500 . 3.200 2.103 1.925 2.339 . 0 0 "[ . 1]" 1
477 1 31 VAL H 1 31 VAL MG2 3.135 . 4.470 3.021 2.094 3.826 . 0 0 "[ . 1]" 1
478 1 31 VAL HA 1 32 ILE H 2.435 . 3.070 2.150 2.004 2.236 . 0 0 "[ . 1]" 1
479 1 31 VAL HA 1 32 ILE HB 3.650 . 5.500 4.639 4.494 4.782 . 0 0 "[ . 1]" 1
480 1 31 VAL HA 1 33 GLU H 3.185 . 4.570 4.239 4.009 4.424 . 0 0 "[ . 1]" 1
481 1 31 VAL HA 1 42 GLY HA3 2.560 . 3.320 2.303 1.975 2.713 . 0 0 "[ . 1]" 1
482 1 31 VAL HA 1 51 PHE QE 3.245 . 4.690 3.711 3.195 4.066 . 0 0 "[ . 1]" 1
483 1 31 VAL HA 1 51 PHE HZ 3.320 . 4.840 3.483 3.137 4.106 . 0 0 "[ . 1]" 1
484 1 31 VAL QG 1 32 ILE H 2.830 . 3.860 2.573 2.216 3.042 . 0 0 "[ . 1]" 1
485 1 31 VAL QG 1 32 ILE HA 3.475 . 5.150 3.801 3.472 3.968 . 0 0 "[ . 1]" 1
486 1 31 VAL QG 1 33 GLU H 2.840 . 3.880 2.784 2.233 3.312 . 0 0 "[ . 1]" 1
487 1 31 VAL QG 1 34 GLU H 3.620 . 5.440 4.289 3.887 4.808 . 0 0 "[ . 1]" 1
488 1 31 VAL QG 1 40 TRP QB 3.020 . 4.240 2.178 1.904 2.604 . 0 0 "[ . 1]" 1
489 1 31 VAL QG 1 40 TRP HE3 2.500 . 3.200 2.175 1.903 2.426 . 0 0 "[ . 1]" 1
490 1 31 VAL QG 1 40 TRP HH2 3.575 . 5.350 4.228 3.802 4.799 . 0 0 "[ . 1]" 1
491 1 31 VAL QG 1 40 TRP HZ3 2.735 . 3.670 2.751 2.331 3.167 . 0 0 "[ . 1]" 1
492 1 31 VAL QG 1 41 SER H 3.235 . 4.670 3.160 2.625 3.730 . 0 0 "[ . 1]" 1
493 1 31 VAL QG 1 42 GLY HA3 3.620 . 5.440 3.198 2.620 3.951 . 0 0 "[ . 1]" 1
494 1 31 VAL QG 1 51 PHE QE 3.165 . 4.530 3.015 2.760 3.211 . 0 0 "[ . 1]" 1
495 1 31 VAL QG 1 51 PHE HZ 2.860 . 3.920 2.240 1.801 2.651 . 0 0 "[ . 1]" 1
496 1 31 VAL QG 1 53 SER QB 3.540 . 5.280 4.872 4.574 5.091 . 0 0 "[ . 1]" 1
497 1 31 VAL MG1 1 40 TRP HE3 2.800 . 3.800 2.794 2.094 3.369 . 0 0 "[ . 1]" 1
498 1 31 VAL MG1 1 40 TRP HZ3 3.185 . 4.570 3.328 2.352 4.194 . 0 0 "[ . 1]" 1
499 1 31 VAL MG2 1 40 TRP HE3 2.800 . 3.800 2.296 2.045 2.493 . 0 0 "[ . 1]" 1
500 1 31 VAL MG2 1 40 TRP HZ3 3.185 . 4.570 3.271 2.425 3.999 . 0 0 "[ . 1]" 1
501 1 32 ILE H 1 32 ILE HB 2.645 . 3.490 2.540 2.462 2.615 . 0 0 "[ . 1]" 1
502 1 32 ILE H 1 32 ILE MD 3.415 . 5.030 3.726 3.546 3.991 . 0 0 "[ . 1]" 1
503 1 32 ILE H 1 32 ILE HG12 2.960 . 4.120 3.564 3.272 3.871 . 0 0 "[ . 1]" 1
504 1 32 ILE H 1 32 ILE HG13 2.960 . 4.120 2.350 2.066 2.741 . 0 0 "[ . 1]" 1
505 1 32 ILE H 1 32 ILE MG 3.135 . 4.470 3.794 3.752 3.837 . 0 0 "[ . 1]" 1
506 1 32 ILE H 1 33 GLU H 2.695 . 3.590 2.439 2.253 2.677 . 0 0 "[ . 1]" 1
507 1 32 ILE H 1 42 GLY H 3.650 . 5.500 4.682 4.492 4.954 . 0 0 "[ . 1]" 1
508 1 32 ILE H 1 42 GLY HA2 2.850 . 3.900 2.637 1.954 3.084 . 0 0 "[ . 1]" 1
509 1 32 ILE HA 1 32 ILE MD 2.870 . 3.940 3.865 3.828 3.920 . 0 0 "[ . 1]" 1
510 1 32 ILE HA 1 32 ILE HG12 2.805 . 3.810 2.579 2.520 2.680 . 0 0 "[ . 1]" 1
511 1 32 ILE HA 1 32 ILE QG 2.390 . 2.980 2.452 2.393 2.521 . 0 0 "[ . 1]" 1
512 1 32 ILE HA 1 32 ILE HG13 2.805 . 3.810 3.072 2.981 3.136 . 0 0 "[ . 1]" 1
513 1 32 ILE HA 1 32 ILE MG 2.410 . 3.020 2.394 2.360 2.444 . 0 0 "[ . 1]" 1
514 1 32 ILE HB 1 41 SER QB 3.160 . 4.520 3.459 3.013 4.121 . 0 0 "[ . 1]" 1
515 1 32 ILE MD 1 33 GLU H 3.275 . 4.750 4.301 3.977 4.533 . 0 0 "[ . 1]" 1
516 1 32 ILE MD 1 41 SER QB 3.405 . 5.010 3.944 2.650 4.814 . 0 0 "[ . 1]" 1
517 1 32 ILE QG 1 33 GLU H 3.570 . 5.340 3.835 3.668 3.985 . 0 0 "[ . 1]" 1
518 1 32 ILE MG 1 33 GLU H 2.845 . 3.890 3.235 3.130 3.337 . 0 0 "[ . 1]" 1
519 1 32 ILE MG 1 33 GLU QB 2.465 . 3.130 2.803 2.507 3.153 0.023 4 0 "[ . 1]" 1
520 1 33 GLU H 1 33 GLU HB2 2.895 . 3.990 3.547 2.679 4.001 0.011 9 0 "[ . 1]" 1
521 1 33 GLU H 1 33 GLU HB3 2.895 . 3.990 3.289 2.879 3.770 . 0 0 "[ . 1]" 1
522 1 33 GLU H 1 33 GLU QG 3.000 . 4.200 3.519 2.515 4.237 0.037 7 0 "[ . 1]" 1
523 1 33 GLU H 1 34 GLU H 3.650 . 5.500 4.251 4.181 4.347 . 0 0 "[ . 1]" 1
524 1 33 GLU H 1 35 VAL MG1 3.650 . 5.500 4.916 4.066 5.501 0.001 3 0 "[ . 1]" 1
525 1 33 GLU H 1 41 SER H 3.095 . 4.390 3.435 3.122 3.869 . 0 0 "[ . 1]" 1
526 1 33 GLU H 1 41 SER QB 2.860 . 3.920 3.164 2.729 3.963 0.043 3 0 "[ . 1]" 1
527 1 33 GLU HA 1 34 GLU H 2.380 . 2.960 2.466 2.276 2.669 . 0 0 "[ . 1]" 1
528 1 33 GLU QB 1 34 GLU H 2.675 . 3.550 2.830 1.922 3.567 0.017 6 0 "[ . 1]" 1
529 1 34 GLU H 1 34 GLU HB2 2.825 . 3.850 3.682 3.594 3.754 . 0 0 "[ . 1]" 1
530 1 34 GLU H 1 34 GLU QB 2.535 . 3.270 2.877 2.681 3.108 . 0 0 "[ . 1]" 1
531 1 34 GLU H 1 34 GLU HB3 2.825 . 3.850 3.008 2.767 3.341 . 0 0 "[ . 1]" 1
532 1 34 GLU H 1 34 GLU QG 2.665 . 3.530 2.074 1.917 2.209 . 0 0 "[ . 1]" 1
533 1 34 GLU H 1 35 VAL H 3.240 . 4.680 4.387 4.102 4.531 . 0 0 "[ . 1]" 1
534 1 34 GLU H 1 35 VAL MG1 3.470 . 5.140 4.805 4.485 5.064 . 0 0 "[ . 1]" 1
535 1 34 GLU HA 1 34 GLU HG2 2.855 . 3.910 3.742 3.589 3.824 . 0 0 "[ . 1]" 1
536 1 34 GLU HA 1 34 GLU HG3 2.855 . 3.910 3.798 3.694 3.853 . 0 0 "[ . 1]" 1
537 1 34 GLU HA 1 35 VAL H 2.480 . 3.160 2.157 2.064 2.243 . 0 0 "[ . 1]" 1
538 1 34 GLU HA 1 35 VAL MG1 3.125 . 4.450 3.734 3.525 3.890 . 0 0 "[ . 1]" 1
539 1 34 GLU HA 1 36 GLU H 3.180 . 4.560 3.781 3.484 4.319 . 0 0 "[ . 1]" 1
540 1 34 GLU HA 1 40 TRP HA 2.530 . 3.260 2.103 1.967 2.458 . 0 0 "[ . 1]" 1
541 1 34 GLU HA 1 40 TRP QB 3.045 . 4.290 3.533 3.307 3.896 . 0 0 "[ . 1]" 1
542 1 34 GLU HA 1 40 TRP HD1 2.755 . 3.710 3.167 2.650 3.586 . 0 0 "[ . 1]" 1
543 1 34 GLU HA 1 40 TRP HE1 3.375 . 4.950 4.827 4.201 4.985 0.035 9 0 "[ . 1]" 1
544 1 34 GLU QB 1 36 GLU H 3.030 . 4.260 3.287 2.872 3.796 . 0 0 "[ . 1]" 1
545 1 34 GLU QB 1 40 TRP HD1 2.300 . 2.800 2.300 2.065 2.545 . 0 0 "[ . 1]" 1
546 1 34 GLU QB 1 40 TRP HE1 2.785 . 3.770 2.708 2.430 2.811 . 0 0 "[ . 1]" 1
547 1 34 GLU HB2 1 40 TRP HD1 2.670 . 3.540 2.517 2.283 2.794 . 0 0 "[ . 1]" 1
548 1 34 GLU HB2 1 40 TRP HE1 3.130 . 4.460 3.215 2.851 3.578 . 0 0 "[ . 1]" 1
549 1 34 GLU HB3 1 40 TRP HD1 2.670 . 3.540 2.730 2.251 3.244 . 0 0 "[ . 1]" 1
550 1 34 GLU HB3 1 40 TRP HE1 3.130 . 4.460 2.972 2.556 3.263 . 0 0 "[ . 1]" 1
551 1 34 GLU QG 1 35 VAL H 3.490 . 5.180 4.193 4.004 4.429 . 0 0 "[ . 1]" 1
552 1 34 GLU QG 1 36 GLU H 3.375 . 4.950 4.491 4.031 4.955 0.005 1 0 "[ . 1]" 1
553 1 34 GLU QG 1 40 TRP HE1 3.035 . 4.270 4.226 3.939 4.340 0.070 4 0 "[ . 1]" 1
554 1 34 GLU HG2 1 40 TRP HE1 3.350 . 4.900 4.691 4.203 4.966 0.066 3 0 "[ . 1]" 1
555 1 34 GLU HG3 1 40 TRP HE1 3.350 . 4.900 4.840 4.630 4.971 0.071 8 0 "[ . 1]" 1
556 1 35 VAL H 1 35 VAL HB 2.800 . 3.800 3.719 3.667 3.773 . 0 0 "[ . 1]" 1
557 1 35 VAL H 1 35 VAL MG1 2.535 . 3.270 2.618 2.477 2.819 . 0 0 "[ . 1]" 1
558 1 35 VAL H 1 35 VAL MG2 2.385 . 2.970 2.022 1.943 2.151 . 0 0 "[ . 1]" 1
559 1 35 VAL H 1 36 GLU H 2.550 . 3.300 2.188 1.932 2.476 . 0 0 "[ . 1]" 1
560 1 35 VAL H 1 40 TRP HA 2.635 . 3.470 2.798 2.405 3.134 . 0 0 "[ . 1]" 1
561 1 35 VAL H 1 40 TRP HD1 3.170 . 4.540 3.929 3.155 4.353 . 0 0 "[ . 1]" 1
562 1 35 VAL H 1 41 SER H 3.650 . 5.500 3.568 3.158 3.943 . 0 0 "[ . 1]" 1
563 1 35 VAL HA 1 35 VAL MG1 2.470 . 3.140 2.329 2.292 2.421 . 0 0 "[ . 1]" 1
564 1 35 VAL HB 1 36 GLU H 2.890 . 3.980 3.868 3.713 3.996 0.016 8 0 "[ . 1]" 1
565 1 35 VAL MG1 1 41 SER H 3.430 . 5.060 3.795 3.048 4.269 . 0 0 "[ . 1]" 1
566 1 35 VAL MG1 1 41 SER HA 3.650 . 5.500 4.525 3.977 5.275 . 0 0 "[ . 1]" 1
567 1 35 VAL MG1 1 41 SER HB2 2.935 . 4.070 2.795 1.979 4.071 0.001 3 0 "[ . 1]" 1
568 1 35 VAL MG1 1 41 SER QB 2.640 . 3.480 2.613 1.958 3.372 . 0 0 "[ . 1]" 1
569 1 35 VAL MG1 1 41 SER HB3 2.935 . 4.070 3.310 2.573 4.024 . 0 0 "[ . 1]" 1
570 1 35 VAL MG2 1 36 GLU H 2.655 . 3.510 2.349 2.167 2.511 . 0 0 "[ . 1]" 1
571 1 35 VAL MG2 1 41 SER H 3.290 . 4.780 3.916 3.550 4.512 . 0 0 "[ . 1]" 1
572 1 35 VAL MG2 1 41 SER HA 3.650 . 5.500 4.370 4.118 4.745 . 0 0 "[ . 1]" 1
573 1 36 GLU H 1 36 GLU QG 2.625 . 3.450 3.188 2.904 3.372 . 0 0 "[ . 1]" 1
574 1 36 GLU H 1 37 GLU H 3.190 . 4.580 4.184 3.197 4.374 . 0 0 "[ . 1]" 1
575 1 36 GLU H 1 40 TRP HA 3.100 . 4.400 3.938 3.406 4.425 0.025 5 0 "[ . 1]" 1
576 1 36 GLU H 1 40 TRP HD1 3.220 . 4.640 3.995 3.347 4.530 . 0 0 "[ . 1]" 1
577 1 36 GLU HA 1 37 GLU H 2.550 . 3.300 2.421 2.335 2.553 . 0 0 "[ . 1]" 1
578 1 36 GLU QB 1 39 TRP H 3.080 . 4.360 2.606 1.903 3.323 . 0 0 "[ . 1]" 1
579 1 36 GLU QB 1 39 TRP HD1 2.825 . 3.850 2.836 2.563 3.216 . 0 0 "[ . 1]" 1
580 1 36 GLU HB2 1 39 TRP HD1 3.125 . 4.450 3.058 2.680 3.710 . 0 0 "[ . 1]" 1
581 1 36 GLU HB3 1 39 TRP HD1 3.125 . 4.450 3.429 3.163 3.925 . 0 0 "[ . 1]" 1
582 1 36 GLU QG 1 39 TRP H 3.530 . 5.260 4.565 3.541 5.267 0.007 10 0 "[ . 1]" 1
583 1 37 GLU H 1 37 GLU QB 2.645 . 3.490 2.587 2.436 2.865 . 0 0 "[ . 1]" 1
584 1 37 GLU H 1 37 GLU HG2 3.335 . 4.870 3.172 2.063 4.749 . 0 0 "[ . 1]" 1
585 1 37 GLU H 1 37 GLU QG 2.990 . 4.180 2.557 2.028 4.098 . 0 0 "[ . 1]" 1
586 1 37 GLU H 1 37 GLU HG3 3.335 . 4.870 3.064 2.212 4.478 . 0 0 "[ . 1]" 1
587 1 37 GLU HA 1 37 GLU QG 2.720 . 3.640 2.808 2.407 3.555 . 0 0 "[ . 1]" 1
588 1 37 GLU HA 1 38 GLY H 2.660 . 3.520 2.792 2.071 3.518 . 0 0 "[ . 1]" 1
589 1 37 GLU HA 1 38 GLY QA 3.225 . 4.650 4.087 3.824 4.378 . 0 0 "[ . 1]" 1
590 1 37 GLU HA 1 39 TRP H 3.380 . 4.960 4.080 3.333 4.813 . 0 0 "[ . 1]" 1
591 1 37 GLU HA 1 40 TRP HE1 3.475 . 5.150 3.996 2.667 4.955 . 0 0 "[ . 1]" 1
592 1 38 GLY H 1 39 TRP H 2.750 . 3.700 2.357 2.140 2.665 . 0 0 "[ . 1]" 1
593 1 38 GLY H 1 40 TRP HE1 3.650 . 5.500 4.475 3.481 5.510 0.010 3 0 "[ . 1]" 1
594 1 38 GLY QA 1 39 TRP HD1 2.940 . 4.080 3.773 3.412 4.119 0.039 1 0 "[ . 1]" 1
595 1 39 TRP H 1 39 TRP HB2 2.985 . 4.170 2.608 2.491 2.826 . 0 0 "[ . 1]" 1
596 1 39 TRP H 1 39 TRP QB 2.575 . 3.350 2.561 2.453 2.760 . 0 0 "[ . 1]" 1
597 1 39 TRP H 1 39 TRP HB3 2.985 . 4.170 3.744 3.670 3.867 . 0 0 "[ . 1]" 1
598 1 39 TRP H 1 39 TRP HD1 3.130 . 4.460 3.169 2.826 3.511 . 0 0 "[ . 1]" 1
599 1 39 TRP H 1 40 TRP HD1 3.175 . 4.550 3.739 3.386 3.955 . 0 0 "[ . 1]" 1
600 1 39 TRP HA 1 39 TRP HD1 3.460 . 5.120 4.159 4.089 4.286 . 0 0 "[ . 1]" 1
601 1 39 TRP HA 1 40 TRP H 2.480 . 3.160 2.046 2.019 2.097 . 0 0 "[ . 1]" 1
602 1 39 TRP HA 1 40 TRP HD1 3.045 . 4.290 4.064 3.767 4.354 0.064 4 0 "[ . 1]" 1
603 1 39 TRP HA 1 51 PHE H 3.370 . 4.940 3.715 3.342 4.035 . 0 0 "[ . 1]" 1
604 1 39 TRP HA 1 53 SER H 2.865 . 3.930 3.465 2.826 3.866 . 0 0 "[ . 1]" 1
605 1 39 TRP QB 1 39 TRP HD1 2.570 . 3.340 2.609 2.554 2.673 . 0 0 "[ . 1]" 1
606 1 39 TRP HE3 1 50 LEU QB 3.320 . 4.840 2.437 2.058 3.459 . 0 0 "[ . 1]" 1
607 1 39 TRP HE3 1 50 LEU QD 3.620 . 5.440 3.521 2.898 4.089 . 0 0 "[ . 1]" 1
608 1 39 TRP HE3 1 51 PHE HA 2.680 . 3.560 2.975 2.794 3.137 . 0 0 "[ . 1]" 1
609 1 39 TRP HE3 1 52 PRO HD3 2.735 . 3.670 3.519 3.416 3.638 . 0 0 "[ . 1]" 1
610 1 39 TRP HE3 1 52 PRO HG3 3.650 . 5.500 5.399 5.117 5.530 0.030 4 0 "[ . 1]" 1
611 1 39 TRP HH2 1 52 PRO HD2 3.650 . 5.500 5.040 4.864 5.262 . 0 0 "[ . 1]" 1
612 1 39 TRP HH2 1 52 PRO HD3 3.285 . 4.770 3.352 3.214 3.544 . 0 0 "[ . 1]" 1
613 1 39 TRP HH2 1 52 PRO HG3 3.240 . 4.680 3.905 3.386 4.236 . 0 0 "[ . 1]" 1
614 1 39 TRP HZ2 1 52 PRO HB3 3.265 . 4.730 4.264 3.818 4.676 . 0 0 "[ . 1]" 1
615 1 39 TRP HZ2 1 52 PRO HD3 3.645 . 5.490 4.949 4.693 5.229 . 0 0 "[ . 1]" 1
616 1 39 TRP HZ2 1 52 PRO HG3 3.635 . 5.470 4.948 4.195 5.475 0.005 10 0 "[ . 1]" 1
617 1 39 TRP HZ3 1 50 LEU HA 3.650 . 5.500 5.354 5.164 5.532 0.032 10 0 "[ . 1]" 1
618 1 39 TRP HZ3 1 50 LEU QD 3.620 . 5.440 4.622 3.874 5.011 . 0 0 "[ . 1]" 1
619 1 39 TRP HZ3 1 51 PHE H 3.120 . 4.440 4.449 4.333 4.485 0.045 3 0 "[ . 1]" 1
620 1 39 TRP HZ3 1 51 PHE HA 3.130 . 4.460 2.620 2.533 2.713 . 0 0 "[ . 1]" 1
621 1 39 TRP HZ3 1 52 PRO HA 3.385 . 4.970 4.887 4.643 4.991 0.021 8 0 "[ . 1]" 1
622 1 39 TRP HZ3 1 52 PRO HB3 3.370 . 4.940 4.501 4.338 4.644 . 0 0 "[ . 1]" 1
623 1 39 TRP HZ3 1 52 PRO HD2 2.840 . 3.880 3.851 3.670 3.896 0.016 9 0 "[ . 1]" 1
624 1 39 TRP HZ3 1 52 PRO HD3 2.885 . 3.970 2.317 2.215 2.374 . 0 0 "[ . 1]" 1
625 1 40 TRP H 1 40 TRP HB2 2.805 . 3.810 2.421 2.315 2.521 . 0 0 "[ . 1]" 1
626 1 40 TRP H 1 40 TRP QB 2.460 . 3.120 2.387 2.287 2.481 . 0 0 "[ . 1]" 1
627 1 40 TRP H 1 40 TRP HB3 2.805 . 3.810 3.629 3.557 3.695 . 0 0 "[ . 1]" 1
628 1 40 TRP H 1 40 TRP HD1 3.220 . 4.640 3.253 3.027 3.672 . 0 0 "[ . 1]" 1
629 1 40 TRP H 1 51 PHE H 2.820 . 3.840 2.824 2.707 2.986 . 0 0 "[ . 1]" 1
630 1 40 TRP H 1 52 PRO HA 3.415 . 5.030 3.755 3.530 4.065 . 0 0 "[ . 1]" 1
631 1 40 TRP H 1 53 SER H 3.325 . 4.850 3.883 3.673 4.094 . 0 0 "[ . 1]" 1
632 1 40 TRP HA 1 40 TRP HD1 2.605 . 3.410 2.355 2.141 2.561 . 0 0 "[ . 1]" 1
633 1 40 TRP HA 1 40 TRP HE1 3.645 . 5.490 4.687 4.614 4.820 . 0 0 "[ . 1]" 1
634 1 40 TRP HA 1 41 SER H 2.535 . 3.270 2.315 2.208 2.438 . 0 0 "[ . 1]" 1
635 1 40 TRP QB 1 40 TRP HE3 2.575 . 3.350 2.598 2.544 2.630 . 0 0 "[ . 1]" 1
636 1 40 TRP QB 1 41 SER H 2.575 . 3.350 2.627 2.384 2.930 . 0 0 "[ . 1]" 1
637 1 40 TRP QB 1 51 PHE QD 3.290 . 4.780 3.428 3.190 3.582 . 0 0 "[ . 1]" 1
638 1 40 TRP QB 1 51 PHE QE 2.810 . 3.820 2.761 2.636 2.887 . 0 0 "[ . 1]" 1
639 1 40 TRP QB 1 51 PHE HZ 2.720 . 3.640 2.812 2.620 2.939 . 0 0 "[ . 1]" 1
640 1 40 TRP HB2 1 41 SER H 2.995 . 4.190 3.881 3.669 4.155 . 0 0 "[ . 1]" 1
641 1 40 TRP HB2 1 51 PHE QE 3.115 . 4.430 2.908 2.719 3.073 . 0 0 "[ . 1]" 1
642 1 40 TRP HB2 1 51 PHE HZ 3.065 . 4.330 3.221 2.821 3.664 . 0 0 "[ . 1]" 1
643 1 40 TRP HB3 1 41 SER H 2.995 . 4.190 2.673 2.416 2.995 . 0 0 "[ . 1]" 1
644 1 40 TRP HB3 1 51 PHE QE 3.115 . 4.430 3.462 3.234 3.613 . 0 0 "[ . 1]" 1
645 1 40 TRP HB3 1 51 PHE HZ 3.065 . 4.330 3.128 3.043 3.202 . 0 0 "[ . 1]" 1
646 1 40 TRP HD1 1 41 SER H 3.650 . 5.500 4.537 4.228 4.837 . 0 0 "[ . 1]" 1
647 1 40 TRP HD1 1 53 SER H 3.650 . 5.500 4.883 4.333 5.517 0.017 4 0 "[ . 1]" 1
648 1 40 TRP HE3 1 51 PHE QE 3.030 . 4.260 2.533 2.185 2.954 . 0 0 "[ . 1]" 1
649 1 40 TRP HE3 1 51 PHE HZ 2.725 . 3.650 2.716 2.182 3.191 . 0 0 "[ . 1]" 1
650 1 40 TRP HE3 1 53 SER QB 3.570 . 5.340 4.105 3.624 4.352 . 0 0 "[ . 1]" 1
651 1 40 TRP HE3 1 56 VAL MG2 2.870 . 3.940 3.349 2.782 3.666 . 0 0 "[ . 1]" 1
652 1 40 TRP HH2 1 58 GLU HB2 3.620 . 5.440 2.529 1.919 3.523 . 0 0 "[ . 1]" 1
653 1 40 TRP HH2 1 58 GLU QB 3.190 . 4.580 2.369 1.853 2.911 . 0 0 "[ . 1]" 1
654 1 40 TRP HH2 1 58 GLU HB3 3.620 . 5.440 3.418 2.374 4.162 . 0 0 "[ . 1]" 1
655 1 40 TRP HH2 1 58 GLU QG 3.440 . 5.080 3.857 2.349 4.680 . 0 0 "[ . 1]" 1
656 1 40 TRP HZ2 1 56 VAL MG2 3.650 . 5.500 5.260 4.523 5.541 0.041 9 0 "[ . 1]" 1
657 1 40 TRP HZ3 1 56 VAL HB 3.650 . 5.500 4.857 4.224 5.203 . 0 0 "[ . 1]" 1
658 1 41 SER H 1 41 SER QB 2.675 . 3.550 2.482 2.310 2.973 . 0 0 "[ . 1]" 1
659 1 41 SER H 1 50 LEU QD 3.545 . 5.290 4.097 3.519 4.893 . 0 0 "[ . 1]" 1
660 1 41 SER HA 1 42 GLY H 2.440 . 3.080 2.151 2.099 2.218 . 0 0 "[ . 1]" 1
661 1 41 SER HA 1 42 GLY HA3 3.650 . 5.500 4.370 4.294 4.426 . 0 0 "[ . 1]" 1
662 1 41 SER HA 1 50 LEU QD 2.545 . 3.290 2.648 2.249 3.197 . 0 0 "[ . 1]" 1
663 1 41 SER HA 1 50 LEU HG 3.650 . 5.500 4.683 3.592 5.509 0.009 2 0 "[ . 1]" 1
664 1 41 SER HA 1 51 PHE QD 3.320 . 4.840 3.939 3.553 4.279 . 0 0 "[ . 1]" 1
665 1 41 SER HA 1 51 PHE QE 3.080 . 4.360 3.688 3.255 3.940 . 0 0 "[ . 1]" 1
666 1 41 SER QB 1 42 GLY H 2.930 . 4.060 3.631 3.321 3.897 . 0 0 "[ . 1]" 1
667 1 41 SER QB 1 48 LEU QD 3.260 . 4.720 3.160 2.319 4.012 . 0 0 "[ . 1]" 1
668 1 41 SER QB 1 50 LEU QD 2.745 . 3.690 2.764 2.209 3.502 . 0 0 "[ . 1]" 1
669 1 41 SER HB2 1 42 GLY H 3.210 . 4.620 4.277 3.821 4.433 . 0 0 "[ . 1]" 1
670 1 41 SER HB3 1 42 GLY H 3.210 . 4.620 3.965 3.467 4.321 . 0 0 "[ . 1]" 1
671 1 42 GLY H 1 43 THR H 3.425 . 5.050 4.318 4.253 4.417 . 0 0 "[ . 1]" 1
672 1 42 GLY H 1 48 LEU HA 3.650 . 5.500 4.311 4.046 4.678 . 0 0 "[ . 1]" 1
673 1 42 GLY H 1 48 LEU QD 2.895 . 3.990 3.118 2.854 3.652 . 0 0 "[ . 1]" 1
674 1 42 GLY H 1 49 GLY H 2.920 . 4.040 2.983 2.771 3.140 . 0 0 "[ . 1]" 1
675 1 42 GLY H 1 50 LEU QD 3.055 . 4.310 4.128 3.690 4.358 0.048 7 0 "[ . 1]" 1
676 1 42 GLY H 1 51 PHE QD 3.220 . 4.640 3.194 2.742 3.472 . 0 0 "[ . 1]" 1
677 1 42 GLY H 1 51 PHE QE 3.025 . 4.250 2.427 2.146 2.781 . 0 0 "[ . 1]" 1
678 1 42 GLY HA2 1 43 THR H 2.645 . 3.490 2.478 2.332 2.642 . 0 0 "[ . 1]" 1
679 1 42 GLY HA2 1 51 PHE QE 3.125 . 4.450 3.576 3.417 3.852 . 0 0 "[ . 1]" 1
680 1 42 GLY HA3 1 43 THR HA 3.650 . 5.500 4.334 4.258 4.478 . 0 0 "[ . 1]" 1
681 1 42 GLY HA3 1 51 PHE QD 3.335 . 4.870 4.267 3.551 4.732 . 0 0 "[ . 1]" 1
682 1 42 GLY HA3 1 51 PHE QE 2.645 . 3.490 2.135 1.982 2.519 . 0 0 "[ . 1]" 1
683 1 42 GLY HA3 1 51 PHE HZ 3.565 . 5.330 3.348 2.769 3.894 . 0 0 "[ . 1]" 1
684 1 43 THR H 1 43 THR HB 2.930 . 4.060 3.134 2.538 3.342 . 0 0 "[ . 1]" 1
685 1 43 THR H 1 43 THR MG 2.840 . 3.880 2.338 2.055 3.792 . 0 0 "[ . 1]" 1
686 1 43 THR H 1 44 LEU H 3.250 . 4.700 4.321 4.222 4.374 . 0 0 "[ . 1]" 1
687 1 43 THR HA 1 43 THR MG 2.655 . 3.510 3.137 2.319 3.240 . 0 0 "[ . 1]" 1
688 1 43 THR HA 1 44 LEU H 2.310 . 2.820 2.175 2.056 2.454 . 0 0 "[ . 1]" 1
689 1 43 THR HA 1 44 LEU QB 3.570 . 5.340 4.015 3.811 4.143 . 0 0 "[ . 1]" 1
690 1 43 THR HA 1 47 LYS H 3.490 . 5.180 4.705 4.349 4.989 . 0 0 "[ . 1]" 1
691 1 43 THR HA 1 48 LEU HA 2.490 . 3.180 2.264 1.987 2.627 . 0 0 "[ . 1]" 1
692 1 43 THR HA 1 48 LEU HG 3.525 . 5.250 4.670 3.476 5.285 0.035 10 0 "[ . 1]" 1
693 1 43 THR HA 1 49 GLY H 2.820 . 3.840 3.220 2.810 3.440 . 0 0 "[ . 1]" 1
694 1 43 THR HB 1 44 LEU H 2.930 . 4.060 3.999 3.754 4.097 0.037 9 0 "[ . 1]" 1
695 1 43 THR HB 1 48 LEU QB 3.570 . 5.340 2.947 2.175 5.140 . 0 0 "[ . 1]" 1
696 1 43 THR HB 1 48 LEU HG 3.650 . 5.500 4.185 2.323 5.151 . 0 0 "[ . 1]" 1
697 1 43 THR MG 1 44 LEU H 2.950 . 4.100 3.746 2.779 4.110 0.010 6 0 "[ . 1]" 1
698 1 43 THR MG 1 47 LYS H 3.650 . 5.500 5.116 3.256 5.550 0.050 4 0 "[ . 1]" 1
699 1 43 THR MG 1 48 LEU H 3.650 . 5.500 5.188 3.741 5.522 0.022 1 0 "[ . 1]" 1
700 1 43 THR MG 1 48 LEU HA 2.970 . 4.140 3.938 3.081 4.157 0.017 5 0 "[ . 1]" 1
701 1 43 THR MG 1 48 LEU QB 2.975 . 4.150 3.868 3.276 4.168 0.018 3 0 "[ . 1]" 1
702 1 43 THR MG 1 49 GLY H 3.625 . 5.450 5.293 4.896 5.452 0.002 2 0 "[ . 1]" 1
703 1 44 LEU H 1 44 LEU HB2 2.815 . 3.830 2.769 2.418 3.190 . 0 0 "[ . 1]" 1
704 1 44 LEU H 1 44 LEU QB 2.445 . 3.090 2.327 2.206 2.564 . 0 0 "[ . 1]" 1
705 1 44 LEU H 1 44 LEU HB3 2.815 . 3.830 2.514 2.381 2.701 . 0 0 "[ . 1]" 1
706 1 44 LEU H 1 44 LEU MD1 3.650 . 5.500 4.237 4.020 4.369 . 0 0 "[ . 1]" 1
707 1 44 LEU H 1 44 LEU QD 3.305 . 4.810 3.815 3.666 3.973 . 0 0 "[ . 1]" 1
708 1 44 LEU H 1 44 LEU MD2 3.650 . 5.500 4.333 4.184 4.564 . 0 0 "[ . 1]" 1
709 1 44 LEU H 1 44 LEU HG 3.650 . 5.500 4.468 4.409 4.532 . 0 0 "[ . 1]" 1
710 1 44 LEU H 1 45 ASN H 3.650 . 5.500 2.697 2.221 3.947 . 0 0 "[ . 1]" 1
711 1 44 LEU H 1 46 ASN H 3.145 . 4.490 4.081 3.198 4.527 0.037 5 0 "[ . 1]" 1
712 1 44 LEU H 1 47 LYS H 2.735 . 3.670 3.646 3.521 3.719 0.049 8 0 "[ . 1]" 1
713 1 44 LEU H 1 47 LYS QB 3.450 . 5.100 4.049 3.311 4.500 . 0 0 "[ . 1]" 1
714 1 44 LEU H 1 49 GLY H 3.650 . 5.500 4.746 4.370 5.479 . 0 0 "[ . 1]" 1
715 1 44 LEU QB 1 46 ASN H 3.340 . 4.880 3.959 3.231 4.517 . 0 0 "[ . 1]" 1
716 1 44 LEU QB 1 47 LYS H 3.085 . 4.370 3.879 3.039 4.391 0.021 8 0 "[ . 1]" 1
717 1 44 LEU HB2 1 45 ASN H 3.650 . 5.500 3.668 3.339 4.453 . 0 0 "[ . 1]" 1
718 1 44 LEU HB3 1 45 ASN H 3.650 . 5.500 2.359 1.881 4.401 . 0 0 "[ . 1]" 1
719 1 44 LEU QD 1 45 ASN H 2.840 . 3.880 3.473 3.036 3.918 0.038 5 0 "[ . 1]" 1
720 1 44 LEU QD 1 45 ASN QD 2.605 . 3.410 2.943 2.317 3.456 0.046 3 0 "[ . 1]" 1
721 1 44 LEU MD1 1 45 ASN HD21 3.375 . 4.950 4.191 3.658 4.984 0.034 8 0 "[ . 1]" 1
722 1 44 LEU MD1 1 45 ASN HD22 3.375 . 4.950 4.008 3.536 4.887 . 0 0 "[ . 1]" 1
723 1 44 LEU MD2 1 45 ASN HD21 3.375 . 4.950 3.872 2.605 4.960 0.010 3 0 "[ . 1]" 1
724 1 44 LEU MD2 1 45 ASN HD22 3.375 . 4.950 3.647 2.588 4.599 . 0 0 "[ . 1]" 1
725 1 44 LEU HG 1 45 ASN H 3.130 . 4.460 3.378 2.985 3.885 . 0 0 "[ . 1]" 1
726 1 44 LEU HG 1 45 ASN QB 3.220 . 4.640 3.786 3.177 4.102 . 0 0 "[ . 1]" 1
727 1 44 LEU HG 1 45 ASN HD21 3.080 . 4.360 3.056 2.065 4.072 . 0 0 "[ . 1]" 1
728 1 44 LEU HG 1 45 ASN QD 2.800 . 3.800 2.683 2.009 3.143 . 0 0 "[ . 1]" 1
729 1 44 LEU HG 1 45 ASN HD22 3.080 . 4.360 3.103 2.534 3.825 . 0 0 "[ . 1]" 1
730 1 45 ASN H 1 46 ASN H 2.875 . 3.950 2.446 1.762 3.972 0.038 2 0 "[ . 1]" 1
731 1 45 ASN H 1 47 LYS H 3.650 . 5.500 3.126 2.538 4.736 . 0 0 "[ . 1]" 1
732 1 45 ASN QB 1 45 ASN QD 2.450 . 3.100 2.326 2.117 2.738 . 0 0 "[ . 1]" 1
733 1 45 ASN QB 1 46 ASN H 3.055 . 4.310 2.479 1.927 4.071 . 0 0 "[ . 1]" 1
734 1 46 ASN H 1 47 LYS H 2.745 . 3.690 1.954 1.742 2.735 0.058 5 0 "[ . 1]" 1
735 1 46 ASN HB2 1 47 LYS H 3.650 . 5.500 3.850 3.121 4.372 . 0 0 "[ . 1]" 1
736 1 46 ASN HB3 1 47 LYS H 3.650 . 5.500 3.670 2.114 4.412 . 0 0 "[ . 1]" 1
737 1 47 LYS H 1 47 LYS HB2 2.705 . 3.610 2.745 2.330 3.010 . 0 0 "[ . 1]" 1
738 1 47 LYS H 1 47 LYS QB 2.465 . 3.130 2.326 2.237 2.463 . 0 0 "[ . 1]" 1
739 1 47 LYS H 1 47 LYS HB3 2.705 . 3.610 2.607 2.374 3.538 . 0 0 "[ . 1]" 1
740 1 47 LYS H 1 47 LYS HE2 3.650 . 5.500 4.934 4.273 5.576 0.076 2 0 "[ . 1]" 1
741 1 47 LYS H 1 47 LYS HE3 3.650 . 5.500 5.100 4.102 5.587 0.087 1 0 "[ . 1]" 1
742 1 47 LYS H 1 47 LYS QG 3.290 . 4.780 3.989 3.851 4.061 . 0 0 "[ . 1]" 1
743 1 47 LYS H 1 48 LEU H 3.650 . 5.500 4.321 4.214 4.431 . 0 0 "[ . 1]" 1
744 1 47 LYS HA 1 48 LEU H 2.265 . 2.730 2.081 2.032 2.153 . 0 0 "[ . 1]" 1
745 1 47 LYS QB 1 47 LYS QE 3.280 . 4.760 2.195 1.924 3.835 . 0 0 "[ . 1]" 1
746 1 47 LYS QB 1 48 LEU H 3.105 . 4.410 3.681 2.872 3.846 . 0 0 "[ . 1]" 1
747 1 47 LYS QG 1 48 LEU H 2.480 . 3.160 3.044 2.446 3.206 0.046 4 0 "[ . 1]" 1
748 1 48 LEU H 1 48 LEU HB2 2.570 . 3.340 2.680 2.556 2.845 . 0 0 "[ . 1]" 1
749 1 48 LEU H 1 48 LEU QB 2.350 . 2.900 2.254 2.199 2.369 . 0 0 "[ . 1]" 1
750 1 48 LEU H 1 48 LEU HB3 2.570 . 3.340 2.431 2.327 2.580 . 0 0 "[ . 1]" 1
751 1 48 LEU H 1 48 LEU MD1 3.390 . 4.980 4.254 4.149 4.395 . 0 0 "[ . 1]" 1
752 1 48 LEU H 1 48 LEU QD 3.035 . 4.270 3.766 3.687 3.855 . 0 0 "[ . 1]" 1
753 1 48 LEU H 1 48 LEU MD2 3.390 . 4.980 4.204 4.083 4.344 . 0 0 "[ . 1]" 1
754 1 48 LEU H 1 49 GLY H 3.650 . 5.500 4.372 4.172 4.489 . 0 0 "[ . 1]" 1
755 1 48 LEU HA 1 48 LEU MD1 3.015 . 4.230 2.854 2.167 3.842 . 0 0 "[ . 1]" 1
756 1 48 LEU HA 1 48 LEU QD 2.650 . 3.500 2.499 2.157 3.058 . 0 0 "[ . 1]" 1
757 1 48 LEU HA 1 48 LEU MD2 3.015 . 4.230 3.596 2.934 3.958 . 0 0 "[ . 1]" 1
758 1 48 LEU HA 1 48 LEU HG 2.585 . 3.370 2.939 2.625 3.239 . 0 0 "[ . 1]" 1
759 1 48 LEU HA 1 49 GLY H 2.390 . 2.980 2.199 2.129 2.289 . 0 0 "[ . 1]" 1
760 1 48 LEU HB2 1 49 GLY H 3.650 . 5.500 4.358 4.260 4.499 . 0 0 "[ . 1]" 1
761 1 48 LEU HB3 1 49 GLY H 3.650 . 5.500 4.225 4.070 4.387 . 0 0 "[ . 1]" 1
762 1 48 LEU QD 1 49 GLY H 2.830 . 3.860 2.708 2.372 3.249 . 0 0 "[ . 1]" 1
763 1 48 LEU HG 1 49 GLY H 2.850 . 3.900 3.388 2.964 3.736 . 0 0 "[ . 1]" 1
764 1 49 GLY H 1 50 LEU H 3.650 . 5.500 4.311 4.199 4.372 . 0 0 "[ . 1]" 1
765 1 49 GLY HA2 1 50 LEU H 2.625 . 3.450 2.516 2.373 2.848 . 0 0 "[ . 1]" 1
766 1 49 GLY HA3 1 50 LEU H 2.625 . 3.450 2.495 2.227 2.666 . 0 0 "[ . 1]" 1
767 1 50 LEU H 1 50 LEU HB2 2.810 . 3.820 2.485 2.307 2.632 . 0 0 "[ . 1]" 1
768 1 50 LEU H 1 50 LEU QB 2.455 . 3.110 2.395 2.279 2.517 . 0 0 "[ . 1]" 1
769 1 50 LEU H 1 50 LEU HB3 2.810 . 3.820 3.412 2.562 3.716 . 0 0 "[ . 1]" 1
770 1 50 LEU H 1 50 LEU QD 3.205 . 4.610 2.973 2.160 3.750 . 0 0 "[ . 1]" 1
771 1 50 LEU HA 1 50 LEU QD 2.530 . 3.260 2.182 2.001 2.679 . 0 0 "[ . 1]" 1
772 1 50 LEU HA 1 50 LEU HG 2.750 . 3.700 3.144 2.596 3.746 0.046 2 0 "[ . 1]" 1
773 1 50 LEU HA 1 51 PHE H 2.425 . 3.050 2.189 2.077 2.296 . 0 0 "[ . 1]" 1
774 1 50 LEU HA 1 51 PHE QD 3.195 . 4.590 3.389 3.250 3.528 . 0 0 "[ . 1]" 1
775 1 50 LEU QB 1 51 PHE H 2.700 . 3.600 3.080 2.733 3.620 0.020 3 0 "[ . 1]" 1
776 1 50 LEU QD 1 51 PHE H 2.925 . 4.050 3.488 2.691 4.075 0.025 4 0 "[ . 1]" 1
777 1 50 LEU MD1 1 51 PHE H 3.475 . 5.150 4.117 2.718 5.019 . 0 0 "[ . 1]" 1
778 1 50 LEU MD2 1 51 PHE H 3.475 . 5.150 4.253 3.536 4.949 . 0 0 "[ . 1]" 1
779 1 51 PHE H 1 51 PHE QD 2.895 . 3.990 2.941 2.699 3.094 . 0 0 "[ . 1]" 1
780 1 51 PHE H 1 51 PHE QE 3.650 . 5.500 4.304 4.195 4.399 . 0 0 "[ . 1]" 1
781 1 51 PHE HA 1 51 PHE QD 3.215 . 4.630 3.739 3.723 3.753 . 0 0 "[ . 1]" 1
782 1 51 PHE HA 1 52 PRO HD3 2.515 . 3.230 2.223 2.111 2.325 . 0 0 "[ . 1]" 1
783 1 51 PHE QB 1 52 PRO HG2 3.445 . 5.090 4.100 3.829 4.324 . 0 0 "[ . 1]" 1
784 1 51 PHE QD 1 52 PRO HD2 3.100 . 4.400 3.935 3.750 4.100 . 0 0 "[ . 1]" 1
785 1 51 PHE QD 1 56 VAL HB 3.650 . 5.500 4.862 4.400 5.225 . 0 0 "[ . 1]" 1
786 1 51 PHE QD 1 56 VAL MG1 3.360 . 4.920 2.907 2.582 3.313 . 0 0 "[ . 1]" 1
787 1 51 PHE QE 1 53 SER QB 3.265 . 4.730 4.240 3.850 4.511 . 0 0 "[ . 1]" 1
788 1 51 PHE QE 1 56 VAL HB 3.650 . 5.500 4.013 3.918 4.127 . 0 0 "[ . 1]" 1
789 1 51 PHE QE 1 56 VAL MG1 2.670 . 3.540 3.072 2.433 3.551 0.011 1 0 "[ . 1]" 1
790 1 51 PHE QE 1 56 VAL MG2 2.455 . 3.110 1.996 1.905 2.191 . 0 0 "[ . 1]" 1
791 1 52 PRO HA 1 53 SER H 2.415 . 3.030 2.119 2.082 2.175 . 0 0 "[ . 1]" 1
792 1 52 PRO HA 1 53 SER QB 3.535 . 5.270 4.309 4.028 4.436 . 0 0 "[ . 1]" 1
793 1 52 PRO HA 1 54 ASN H 3.280 . 4.760 3.779 3.631 4.035 . 0 0 "[ . 1]" 1
794 1 52 PRO HB2 1 54 ASN H 3.040 . 4.280 2.797 2.605 3.126 . 0 0 "[ . 1]" 1
795 1 52 PRO HB2 1 55 PHE H 3.195 . 4.590 3.727 3.330 4.095 . 0 0 "[ . 1]" 1
796 1 52 PRO HB2 1 55 PHE QD 3.460 . 5.120 3.483 2.891 3.883 . 0 0 "[ . 1]" 1
797 1 52 PRO HG2 1 53 SER H 3.370 . 4.940 4.953 4.941 4.982 0.042 4 0 "[ . 1]" 1
798 1 52 PRO HG2 1 54 ASN H 3.285 . 4.770 4.180 3.565 4.785 0.015 4 0 "[ . 1]" 1
799 1 52 PRO HG2 1 55 PHE H 3.205 . 4.610 3.787 3.572 4.036 . 0 0 "[ . 1]" 1
800 1 52 PRO HG2 1 55 PHE QB 3.325 . 4.850 3.542 2.799 4.283 . 0 0 "[ . 1]" 1
801 1 52 PRO HG2 1 55 PHE QD 2.655 . 3.510 2.030 1.948 2.271 . 0 0 "[ . 1]" 1
802 1 52 PRO HG3 1 55 PHE QD 3.650 . 5.500 3.325 2.664 3.853 . 0 0 "[ . 1]" 1
803 1 53 SER H 1 53 SER HB2 2.820 . 3.840 3.232 2.574 3.518 . 0 0 "[ . 1]" 1
804 1 53 SER H 1 53 SER HB3 2.820 . 3.840 2.750 2.508 3.442 . 0 0 "[ . 1]" 1
805 1 53 SER H 1 54 ASN H 2.755 . 3.710 2.824 2.571 3.174 . 0 0 "[ . 1]" 1
806 1 53 SER QB 1 55 PHE H 3.570 . 5.340 5.008 4.631 5.361 0.021 9 0 "[ . 1]" 1
807 1 53 SER QB 1 56 VAL H 3.570 . 5.340 4.670 4.449 4.890 . 0 0 "[ . 1]" 1
808 1 53 SER QB 1 56 VAL MG1 3.570 . 5.340 5.097 4.863 5.355 0.015 9 0 "[ . 1]" 1
809 1 53 SER QB 1 56 VAL MG2 2.535 . 3.270 3.111 2.921 3.286 0.016 4 0 "[ . 1]" 1
810 1 54 ASN H 1 54 ASN HB2 2.730 . 3.660 2.748 2.481 3.676 0.016 5 0 "[ . 1]" 1
811 1 54 ASN H 1 54 ASN QB 2.485 . 3.170 2.381 2.218 2.764 . 0 0 "[ . 1]" 1
812 1 54 ASN H 1 54 ASN HB3 2.730 . 3.660 2.766 2.432 3.680 0.020 8 0 "[ . 1]" 1
813 1 54 ASN H 1 54 ASN QD 3.565 . 5.330 4.154 2.682 4.601 . 0 0 "[ . 1]" 1
814 1 54 ASN H 1 55 PHE H 2.630 . 3.460 2.461 2.040 2.817 . 0 0 "[ . 1]" 1
815 1 54 ASN H 1 55 PHE QD 3.505 . 5.210 4.332 3.164 5.214 0.004 6 0 "[ . 1]" 1
816 1 54 ASN H 1 56 VAL H 3.650 . 5.500 3.889 3.133 4.296 . 0 0 "[ . 1]" 1
817 1 54 ASN HA 1 56 VAL H 3.390 . 4.980 3.900 3.658 4.141 . 0 0 "[ . 1]" 1
818 1 54 ASN QB 1 54 ASN QD 2.480 . 3.160 2.156 2.121 2.197 . 0 0 "[ . 1]" 1
819 1 55 PHE H 1 55 PHE HB2 2.810 . 3.820 2.534 2.477 2.592 . 0 0 "[ . 1]" 1
820 1 55 PHE H 1 55 PHE QB 2.450 . 3.100 2.491 2.438 2.547 . 0 0 "[ . 1]" 1
821 1 55 PHE H 1 55 PHE HB3 2.810 . 3.820 3.673 3.587 3.734 . 0 0 "[ . 1]" 1
822 1 55 PHE H 1 55 PHE QD 2.935 . 4.070 3.010 2.113 3.573 . 0 0 "[ . 1]" 1
823 1 55 PHE H 1 56 VAL H 2.540 . 3.280 2.393 2.227 2.560 . 0 0 "[ . 1]" 1
824 1 55 PHE H 1 56 VAL MG1 3.330 . 4.860 3.763 3.545 3.941 . 0 0 "[ . 1]" 1
825 1 55 PHE H 1 56 VAL MG2 3.075 . 4.350 3.434 3.235 3.624 . 0 0 "[ . 1]" 1
826 1 55 PHE HA 1 55 PHE QD 2.950 . 4.100 2.466 2.082 3.090 . 0 0 "[ . 1]" 1
827 1 55 PHE QB 1 56 VAL MG1 2.950 . 4.100 2.956 2.731 3.288 . 0 0 "[ . 1]" 1
828 1 55 PHE HB2 1 56 VAL MG1 3.240 . 4.680 3.073 2.802 3.451 . 0 0 "[ . 1]" 1
829 1 55 PHE HB3 1 56 VAL MG1 3.240 . 4.680 3.860 3.741 4.135 . 0 0 "[ . 1]" 1
830 1 56 VAL H 1 56 VAL MG1 2.630 . 3.460 2.963 2.851 3.164 . 0 0 "[ . 1]" 1
831 1 56 VAL H 1 56 VAL MG2 2.520 . 3.240 2.258 2.126 2.397 . 0 0 "[ . 1]" 1
832 1 56 VAL HA 1 56 VAL HB 2.385 . 2.970 2.465 2.414 2.497 . 0 0 "[ . 1]" 1
833 1 56 VAL HA 1 56 VAL MG1 2.465 . 3.130 2.420 2.360 2.468 . 0 0 "[ . 1]" 1
834 1 56 VAL HA 1 56 VAL MG2 2.545 . 3.290 3.229 3.209 3.242 . 0 0 "[ . 1]" 1
835 1 56 VAL HA 1 57 LYS H 2.410 . 3.020 2.279 2.122 2.459 . 0 0 "[ . 1]" 1
836 1 56 VAL HB 1 57 LYS H 2.395 . 2.990 2.774 2.455 3.018 0.028 5 0 "[ . 1]" 1
837 1 56 VAL MG1 1 57 LYS H 3.045 . 4.290 3.827 3.758 3.973 . 0 0 "[ . 1]" 1
838 1 56 VAL MG2 1 57 LYS H 2.825 . 3.850 3.642 3.321 3.855 0.005 10 0 "[ . 1]" 1
839 1 56 VAL MG2 1 58 GLU H 3.650 . 5.500 4.462 2.811 5.526 0.026 5 0 "[ . 1]" 1
840 1 57 LYS H 1 57 LYS HB2 2.800 . 3.800 3.048 2.503 3.898 0.098 3 0 "[ . 1]" 1
841 1 57 LYS H 1 57 LYS QB 2.450 . 3.100 2.684 2.456 3.077 . 0 0 "[ . 1]" 1
842 1 57 LYS H 1 57 LYS HB3 2.800 . 3.800 3.396 2.790 3.765 . 0 0 "[ . 1]" 1
843 1 57 LYS H 1 57 LYS QD 2.480 . 3.160 2.978 2.061 3.357 0.197 6 0 "[ . 1]" 1
844 1 57 LYS H 1 57 LYS QG 3.065 . 4.330 3.468 1.836 4.172 . 0 0 "[ . 1]" 1
845 1 57 LYS H 1 58 GLU H 3.540 . 5.280 4.021 2.177 4.399 . 0 0 "[ . 1]" 1
846 1 57 LYS HA 1 58 GLU H 2.555 . 3.310 2.378 2.023 3.372 0.062 5 0 "[ . 1]" 1
847 1 57 LYS QB 1 57 LYS QE 3.210 . 4.620 3.377 2.015 3.887 . 0 0 "[ . 1]" 1
848 1 57 LYS QG 1 58 GLU H 2.980 . 4.160 3.294 1.750 4.162 0.050 5 0 "[ . 1]" 1
849 1 58 GLU H 1 58 GLU QB 2.705 . 3.610 2.391 2.160 3.006 . 0 0 "[ . 1]" 1
850 1 58 GLU H 1 58 GLU QG 3.075 . 4.350 3.767 1.860 4.200 . 0 0 "[ . 1]" 1
851 1 58 GLU H 1 59 LEU H 3.250 . 4.700 4.152 2.917 4.589 . 0 0 "[ . 1]" 1
852 1 58 GLU H 1 59 LEU QD 3.620 . 5.440 4.537 2.534 5.493 0.053 5 0 "[ . 1]" 1
853 1 58 GLU HA 1 58 GLU QG 2.750 . 3.700 2.590 2.342 3.321 . 0 0 "[ . 1]" 1
854 1 58 GLU HA 1 59 LEU H 2.320 . 2.840 2.317 2.105 2.905 0.065 8 0 "[ . 1]" 1
855 1 58 GLU QG 1 59 LEU H 2.850 . 3.900 2.998 1.778 3.901 0.022 6 0 "[ . 1]" 1
856 1 58 GLU HG2 1 59 LEU H 3.245 . 4.690 3.299 1.798 4.276 0.002 6 0 "[ . 1]" 1
857 1 58 GLU HG3 1 59 LEU H 3.245 . 4.690 3.519 2.539 4.502 . 0 0 "[ . 1]" 1
858 1 59 LEU H 1 59 LEU QB 2.585 . 3.370 2.872 2.378 3.294 . 0 0 "[ . 1]" 1
859 1 59 LEU H 1 59 LEU QD 2.575 . 3.350 2.302 1.774 3.085 0.026 10 0 "[ . 1]" 1
860 1 59 LEU H 1 59 LEU HG 2.830 . 3.860 3.402 2.148 3.901 0.041 4 0 "[ . 1]" 1
861 1 59 LEU H 1 60 GLU H 3.625 . 5.450 4.179 2.184 4.653 . 0 0 "[ . 1]" 1
862 1 59 LEU HA 1 59 LEU QD 2.735 . 3.670 3.174 2.659 3.430 . 0 0 "[ . 1]" 1
863 1 59 LEU HA 1 59 LEU HG 2.810 . 3.820 3.270 2.491 3.819 . 0 0 "[ . 1]" 1
864 1 59 LEU HA 1 60 GLU H 2.340 . 2.880 2.382 2.022 3.009 0.129 1 0 "[ . 1]" 1
865 1 59 LEU QB 1 60 GLU H 2.890 . 3.980 2.691 1.844 3.902 . 0 0 "[ . 1]" 1
866 1 59 LEU HG 1 60 GLU H 3.015 . 4.230 4.017 3.476 4.321 0.091 5 0 "[ . 1]" 1
867 1 60 GLU H 1 60 GLU QB 2.670 . 3.540 2.617 2.245 3.180 . 0 0 "[ . 1]" 1
868 1 60 GLU H 1 60 GLU HG2 3.165 . 4.530 3.545 1.799 4.458 0.001 10 0 "[ . 1]" 1
869 1 60 GLU H 1 60 GLU QG 2.890 . 3.980 3.014 1.778 4.018 0.038 4 0 "[ . 1]" 1
870 1 60 GLU H 1 60 GLU HG3 3.165 . 4.530 3.520 2.524 4.611 0.081 3 0 "[ . 1]" 1
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