NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
389633 |
1nr3   |
5657 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nr3
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 921
_Distance_constraint_stats_list.Viol_count 2043
_Distance_constraint_stats_list.Viol_total 1845.447
_Distance_constraint_stats_list.Viol_max 0.323
_Distance_constraint_stats_list.Viol_rms 0.0184
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0452
_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 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 TRP 8.689 0.218 19 0 "[ . 1 . 2]"
1 7 SER 0.078 0.031 1 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 1.802 0.090 19 0 "[ . 1 . 2]"
1 10 LYS 3.255 0.191 19 0 "[ . 1 . 2]"
1 11 ILE 1.194 0.106 17 0 "[ . 1 . 2]"
1 12 ALA 2.797 0.119 1 0 "[ . 1 . 2]"
1 13 ARG 4.015 0.119 1 0 "[ . 1 . 2]"
1 14 GLU 3.160 0.088 19 0 "[ . 1 . 2]"
1 15 LEU 0.345 0.089 8 0 "[ . 1 . 2]"
1 16 LYS 1.021 0.096 8 0 "[ . 1 . 2]"
1 17 THR 0.989 0.096 8 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 0.847 0.196 6 0 "[ . 1 . 2]"
1 20 GLN 1.546 0.196 6 0 "[ . 1 . 2]"
1 21 ASN 0.251 0.052 6 0 "[ . 1 . 2]"
1 22 VAL 2.530 0.148 14 0 "[ . 1 . 2]"
1 23 SER 2.252 0.169 18 0 "[ . 1 . 2]"
1 24 ALA 1.007 0.169 18 0 "[ . 1 . 2]"
1 25 ILE 1.207 0.166 17 0 "[ . 1 . 2]"
1 26 GLU 2.231 0.191 15 0 "[ . 1 . 2]"
1 27 ARG 0.633 0.037 15 0 "[ . 1 . 2]"
1 28 LYS 1.307 0.077 18 0 "[ . 1 . 2]"
1 29 ALA 2.478 0.098 17 0 "[ . 1 . 2]"
1 30 MET 2.315 0.177 13 0 "[ . 1 . 2]"
1 31 GLU 0.487 0.083 15 0 "[ . 1 . 2]"
1 32 ASN 0.095 0.022 13 0 "[ . 1 . 2]"
1 33 ILE 0.341 0.083 20 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.105 0.035 18 0 "[ . 1 . 2]"
1 36 SER 1.392 0.098 12 0 "[ . 1 . 2]"
1 37 ARG 1.461 0.098 12 0 "[ . 1 . 2]"
1 38 ASN 0.607 0.201 10 0 "[ . 1 . 2]"
1 39 THR 0.760 0.201 10 0 "[ . 1 . 2]"
1 40 LEU 0.814 0.155 18 0 "[ . 1 . 2]"
1 41 ASP 1.443 0.074 12 0 "[ . 1 . 2]"
1 42 PHE 2.696 0.077 12 0 "[ . 1 . 2]"
1 43 VAL 2.688 0.153 15 0 "[ . 1 . 2]"
1 44 LYS 2.173 0.158 16 0 "[ . 1 . 2]"
1 45 SER 0.837 0.098 7 0 "[ . 1 . 2]"
1 46 LEU 1.068 0.144 11 0 "[ . 1 . 2]"
1 47 LYS 2.788 0.305 16 0 "[ . 1 . 2]"
1 48 SER 1.743 0.305 16 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ARG 0.463 0.063 16 0 "[ . 1 . 2]"
1 52 ILE 1.767 0.151 8 0 "[ . 1 . 2]"
1 53 LEU 0.290 0.043 15 0 "[ . 1 . 2]"
1 54 CYS 0.210 0.067 19 0 "[ . 1 . 2]"
1 55 ARG 1.319 0.164 10 0 "[ . 1 . 2]"
1 56 ARG 0.117 0.037 7 0 "[ . 1 . 2]"
1 57 GLY 0.105 0.032 17 0 "[ . 1 . 2]"
1 58 ASP 2.730 0.182 17 0 "[ . 1 . 2]"
1 59 THR 3.120 0.182 17 0 "[ . 1 . 2]"
1 60 LEU 3.142 0.167 10 0 "[ . 1 . 2]"
1 61 ASP 6.658 0.140 11 0 "[ . 1 . 2]"
1 62 GLU 2.788 0.082 1 0 "[ . 1 . 2]"
1 63 ILE 2.627 0.100 8 0 "[ . 1 . 2]"
1 64 ILE 2.181 0.091 13 0 "[ . 1 . 2]"
1 65 LYS 1.516 0.134 1 0 "[ . 1 . 2]"
1 66 ARG 1.172 0.100 8 0 "[ . 1 . 2]"
1 67 LEU 3.083 0.087 9 0 "[ . 1 . 2]"
1 68 LEU 3.069 0.145 4 0 "[ . 1 . 2]"
1 69 GLU 2.738 0.117 3 0 "[ . 1 . 2]"
1 70 GLU 2.188 0.082 13 0 "[ . 1 . 2]"
1 71 SER 2.849 0.117 3 0 "[ . 1 . 2]"
1 72 ASN 1.201 0.145 4 0 "[ . 1 . 2]"
1 73 LYS 1.508 0.079 2 0 "[ . 1 . 2]"
1 74 GLU 1.521 0.120 5 0 "[ . 1 . 2]"
1 75 GLY 0.122 0.120 5 0 "[ . 1 . 2]"
1 76 ILE 0.530 0.064 10 0 "[ . 1 . 2]"
1 77 HIS 0.740 0.072 15 0 "[ . 1 . 2]"
1 78 VAL 1.144 0.095 13 0 "[ . 1 . 2]"
1 79 ILE 1.427 0.093 5 0 "[ . 1 . 2]"
1 80 HIS 0.047 0.023 4 0 "[ . 1 . 2]"
1 81 ASP 1.315 0.094 20 0 "[ . 1 . 2]"
1 82 SER 0.155 0.038 2 0 "[ . 1 . 2]"
1 83 ILE 0.953 0.077 16 0 "[ . 1 . 2]"
1 84 THR 0.091 0.056 13 0 "[ . 1 . 2]"
1 85 LEU 1.505 0.100 19 0 "[ . 1 . 2]"
1 86 ALA 0.436 0.056 13 0 "[ . 1 . 2]"
1 87 PHE 2.286 0.218 19 0 "[ . 1 . 2]"
1 88 LEU 3.415 0.100 19 0 "[ . 1 . 2]"
1 89 ILE 0.540 0.063 4 0 "[ . 1 . 2]"
1 90 ARG 1.555 0.269 14 0 "[ . 1 . 2]"
1 91 GLU 1.095 0.077 14 0 "[ . 1 . 2]"
1 92 LYS 0.396 0.090 17 0 "[ . 1 . 2]"
1 93 ALA 0.982 0.124 16 0 "[ . 1 . 2]"
1 94 SER 1.452 0.124 16 0 "[ . 1 . 2]"
1 96 ARG 1.286 0.100 6 0 "[ . 1 . 2]"
1 97 ILE 0.210 0.210 14 0 "[ . 1 . 2]"
1 98 VAL 2.001 0.269 14 0 "[ . 1 . 2]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 2.199 0.152 3 0 "[ . 1 . 2]"
1 102 VAL 0.118 0.032 17 0 "[ . 1 . 2]"
1 103 LYS 0.319 0.081 4 0 "[ . 1 . 2]"
1 104 SER 0.733 0.043 17 0 "[ . 1 . 2]"
1 105 ASP 1.591 0.123 16 0 "[ . 1 . 2]"
1 106 PHE 0.950 0.051 12 0 "[ . 1 . 2]"
1 107 GLU 0.887 0.089 2 0 "[ . 1 . 2]"
1 108 ILE 2.042 0.151 8 0 "[ . 1 . 2]"
1 109 GLY 0.381 0.049 13 0 "[ . 1 . 2]"
1 110 VAL 0.001 0.001 18 0 "[ . 1 . 2]"
1 111 THR 1.978 0.061 13 0 "[ . 1 . 2]"
1 112 ARG 2.035 0.143 11 0 "[ . 1 . 2]"
1 113 ASP 3.053 0.143 11 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLU 0.520 0.066 2 0 "[ . 1 . 2]"
1 116 ILE 0.713 0.072 4 0 "[ . 1 . 2]"
1 117 ILE 0.759 0.064 14 0 "[ . 1 . 2]"
1 118 VAL 2.016 0.323 20 0 "[ . 1 . 2]"
1 119 ASP 1.253 0.137 17 0 "[ . 1 . 2]"
1 120 LEU 2.497 0.123 16 0 "[ . 1 . 2]"
1 121 ASN 0.989 0.087 13 0 "[ . 1 . 2]"
1 122 SER 0.502 0.087 13 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 2 ARG H 1 3 GLU H . . 5.500 3.350 1.899 4.536 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 3 GLU HG3 . . 5.500 3.668 2.210 4.774 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU H 1 4 ARG H . . 5.500 4.505 4.364 4.600 . 0 0 "[ . 1 . 2]" 1
4 1 6 TRP H 1 6 TRP HA . . 2.830 2.630 2.233 2.928 0.098 7 0 "[ . 1 . 2]" 1
5 1 6 TRP H 1 6 TRP HD1 . . 3.760 3.186 2.189 3.833 0.073 13 0 "[ . 1 . 2]" 1
6 1 6 TRP H 1 6 TRP HE3 . . 5.180 4.223 2.696 5.235 0.055 5 0 "[ . 1 . 2]" 1
7 1 6 TRP H 1 7 SER H . . 3.390 3.113 2.832 3.421 0.031 1 0 "[ . 1 . 2]" 1
8 1 6 TRP H 1 87 PHE QD . . 7.620 4.106 3.353 5.084 . 0 0 "[ . 1 . 2]" 1
9 1 6 TRP HA 1 9 LYS H . . 3.920 3.820 3.589 3.983 0.063 13 0 "[ . 1 . 2]" 1
10 1 6 TRP HA 1 10 LYS H . . 5.500 5.576 5.379 5.691 0.191 19 0 "[ . 1 . 2]" 1
11 1 6 TRP HD1 1 87 PHE HA . . 5.500 5.595 5.506 5.718 0.218 19 0 "[ . 1 . 2]" 1
12 1 6 TRP HD1 1 87 PHE HB3 . . 4.500 2.778 2.606 3.064 . 0 0 "[ . 1 . 2]" 1
13 1 6 TRP HE1 1 87 PHE QD . . 6.970 2.011 1.923 2.291 . 0 0 "[ . 1 . 2]" 1
14 1 6 TRP HZ2 1 29 ALA H . . 5.500 5.526 5.374 5.587 0.087 3 0 "[ . 1 . 2]" 1
15 1 6 TRP HZ3 1 26 GLU H . . 5.500 5.578 5.524 5.691 0.191 15 0 "[ . 1 . 2]" 1
16 1 6 TRP HZ3 1 30 MET H . . 5.500 5.575 5.508 5.677 0.177 13 0 "[ . 1 . 2]" 1
17 1 7 SER H 1 8 GLN H . . 5.500 3.013 2.009 4.171 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLN H 1 9 LYS H . . 5.500 2.745 1.895 3.321 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLN HA 1 9 LYS H . . 3.110 2.602 2.446 2.891 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS H 1 10 LYS H . . 2.960 2.927 2.821 2.985 0.025 15 0 "[ . 1 . 2]" 1
21 1 9 LYS HA 1 10 LYS H . . 3.550 3.620 3.578 3.640 0.090 19 0 "[ . 1 . 2]" 1
22 1 9 LYS HA 1 12 ALA H . . 5.500 5.462 5.342 5.524 0.024 11 0 "[ . 1 . 2]" 1
23 1 10 LYS H 1 10 LYS HB3 . . 3.580 3.148 2.733 3.480 . 0 0 "[ . 1 . 2]" 1
24 1 10 LYS H 1 11 ILE H . . 3.420 2.799 2.589 2.979 . 0 0 "[ . 1 . 2]" 1
25 1 10 LYS H 1 12 ALA H . . 5.500 2.124 1.964 2.355 . 0 0 "[ . 1 . 2]" 1
26 1 10 LYS HA 1 13 ARG H . . 5.500 5.170 4.744 5.538 0.038 15 0 "[ . 1 . 2]" 1
27 1 11 ILE H 1 11 ILE HB . . 3.170 2.548 2.510 2.590 . 0 0 "[ . 1 . 2]" 1
28 1 11 ILE H 1 11 ILE HG13 . . 3.270 1.958 1.917 2.047 . 0 0 "[ . 1 . 2]" 1
29 1 11 ILE H 1 12 ALA H . . 2.920 2.618 2.577 2.672 . 0 0 "[ . 1 . 2]" 1
30 1 11 ILE H 1 13 ARG H . . 5.500 4.806 4.588 4.935 . 0 0 "[ . 1 . 2]" 1
31 1 11 ILE H 1 61 ASP HB3 . . 5.500 5.499 4.887 5.606 0.106 17 0 "[ . 1 . 2]" 1
32 1 11 ILE HA 1 12 ALA H . . 3.630 3.273 3.156 3.384 . 0 0 "[ . 1 . 2]" 1
33 1 11 ILE HB 1 12 ALA H . . 4.170 3.737 3.505 3.949 . 0 0 "[ . 1 . 2]" 1
34 1 11 ILE HB 1 61 ASP HA . . 5.500 5.222 4.983 5.533 0.033 17 0 "[ . 1 . 2]" 1
35 1 11 ILE HG13 1 12 ALA H . . 5.500 4.430 4.382 4.555 . 0 0 "[ . 1 . 2]" 1
36 1 11 ILE MG 1 12 ALA H . . 5.690 4.254 4.142 4.330 . 0 0 "[ . 1 . 2]" 1
37 1 11 ILE MG 1 12 ALA MB . . 7.310 5.026 4.938 5.093 . 0 0 "[ . 1 . 2]" 1
38 1 12 ALA H 1 13 ARG H . . 2.830 2.894 2.818 2.949 0.119 1 0 "[ . 1 . 2]" 1
39 1 12 ALA H 1 14 GLU H . . 4.720 4.708 4.421 4.793 0.073 14 0 "[ . 1 . 2]" 1
40 1 12 ALA HA 1 13 ARG H . . 3.560 3.581 3.539 3.618 0.058 7 0 "[ . 1 . 2]" 1
41 1 12 ALA HA 1 14 GLU H . . 4.720 4.720 4.489 4.801 0.081 4 0 "[ . 1 . 2]" 1
42 1 12 ALA HA 1 15 LEU H . . 3.860 3.268 3.173 3.363 . 0 0 "[ . 1 . 2]" 1
43 1 12 ALA HA 1 15 LEU QD . . 8.100 2.416 1.939 2.919 . 0 0 "[ . 1 . 2]" 1
44 1 12 ALA HA 1 16 LYS H . . 4.790 3.966 3.653 4.244 . 0 0 "[ . 1 . 2]" 1
45 1 13 ARG H 1 14 GLU H . . 2.870 2.886 2.775 2.946 0.076 8 0 "[ . 1 . 2]" 1
46 1 13 ARG H 1 15 LEU H . . 4.690 3.834 3.664 4.025 . 0 0 "[ . 1 . 2]" 1
47 1 13 ARG HA 1 14 GLU H . . 3.560 3.645 3.629 3.648 0.088 19 0 "[ . 1 . 2]" 1
48 1 13 ARG HA 1 15 LEU H . . 4.720 4.080 3.962 4.409 . 0 0 "[ . 1 . 2]" 1
49 1 14 GLU H 1 14 GLU HB3 . . 3.360 3.069 2.810 3.302 . 0 0 "[ . 1 . 2]" 1
50 1 14 GLU H 1 15 LEU H . . 2.800 2.677 2.602 2.747 . 0 0 "[ . 1 . 2]" 1
51 1 14 GLU HA 1 15 LEU H . . 3.630 3.532 3.497 3.593 . 0 0 "[ . 1 . 2]" 1
52 1 14 GLU HB3 1 15 LEU H . . 5.500 3.200 2.904 3.415 . 0 0 "[ . 1 . 2]" 1
53 1 15 LEU H 1 15 LEU HG . . 4.170 3.822 3.516 4.221 0.051 20 0 "[ . 1 . 2]" 1
54 1 15 LEU H 1 16 LYS H . . 2.770 2.623 2.333 2.802 0.032 17 0 "[ . 1 . 2]" 1
55 1 15 LEU H 1 17 THR H . . 5.500 3.809 3.600 4.142 . 0 0 "[ . 1 . 2]" 1
56 1 15 LEU QD 1 16 LYS H . . 8.100 3.852 3.545 4.177 . 0 0 "[ . 1 . 2]" 1
57 1 15 LEU HG 1 78 VAL QG . . 6.820 4.599 4.097 5.001 . 0 0 "[ . 1 . 2]" 1
58 1 15 LEU HG 1 79 ILE H . . 5.500 4.776 4.236 5.072 . 0 0 "[ . 1 . 2]" 1
59 1 15 LEU HG 1 79 ILE HA . . 5.500 5.334 5.022 5.589 0.089 8 0 "[ . 1 . 2]" 1
60 1 15 LEU HG 1 79 ILE MD . . 5.500 4.131 3.609 4.493 . 0 0 "[ . 1 . 2]" 1
61 1 16 LYS H 1 16 LYS HB3 . . 4.010 2.629 2.099 3.529 . 0 0 "[ . 1 . 2]" 1
62 1 16 LYS H 1 17 THR H . . 2.680 2.715 2.510 2.776 0.096 8 0 "[ . 1 . 2]" 1
63 1 17 THR H 1 17 THR HB . . 3.920 2.221 2.018 2.517 . 0 0 "[ . 1 . 2]" 1
64 1 17 THR H 1 18 THR H . . 3.080 2.497 2.338 2.659 . 0 0 "[ . 1 . 2]" 1
65 1 18 THR H 1 18 THR HB . . 3.490 2.247 2.136 2.414 . 0 0 "[ . 1 . 2]" 1
66 1 18 THR H 1 19 ARG H . . 5.500 4.478 4.141 4.643 . 0 0 "[ . 1 . 2]" 1
67 1 18 THR HA 1 19 ARG H . . 3.270 2.509 2.153 3.074 . 0 0 "[ . 1 . 2]" 1
68 1 18 THR MG 1 88 LEU QD . . 7.870 4.291 4.245 4.336 . 0 0 "[ . 1 . 2]" 1
69 1 19 ARG H 1 20 GLN H . . 3.550 2.537 1.878 3.746 0.196 6 0 "[ . 1 . 2]" 1
70 1 19 ARG HA 1 24 ALA MB . . 6.530 3.718 2.080 5.328 . 0 0 "[ . 1 . 2]" 1
71 1 19 ARG HB3 1 22 VAL H . . 5.410 5.051 3.166 5.488 0.078 6 0 "[ . 1 . 2]" 1
72 1 19 ARG HB3 1 24 ALA HA . . 5.440 3.883 2.798 5.490 0.050 20 0 "[ . 1 . 2]" 1
73 1 20 GLN H 1 20 GLN HB3 . . 3.610 3.349 2.668 3.750 0.140 17 0 "[ . 1 . 2]" 1
74 1 20 GLN H 1 21 ASN H . . 3.920 3.386 2.815 3.904 . 0 0 "[ . 1 . 2]" 1
75 1 20 GLN H 1 78 VAL QG . . 7.470 5.016 3.797 5.454 . 0 0 "[ . 1 . 2]" 1
76 1 20 GLN HA 1 21 ASN H . . 3.520 2.683 2.463 3.050 . 0 0 "[ . 1 . 2]" 1
77 1 20 GLN HA 1 22 VAL H . . 4.110 4.144 3.982 4.219 0.109 12 0 "[ . 1 . 2]" 1
78 1 21 ASN H 1 21 ASN HA . . 2.400 2.175 2.166 2.200 . 0 0 "[ . 1 . 2]" 1
79 1 21 ASN H 1 22 VAL H . . 5.220 2.721 2.465 2.945 . 0 0 "[ . 1 . 2]" 1
80 1 21 ASN HA 1 22 VAL H . . 3.050 3.040 2.960 3.102 0.052 6 0 "[ . 1 . 2]" 1
81 1 21 ASN HA 1 24 ALA MB . . 4.970 3.298 2.236 4.133 . 0 0 "[ . 1 . 2]" 1
82 1 22 VAL H 1 22 VAL HB . . 3.050 2.531 2.261 2.914 . 0 0 "[ . 1 . 2]" 1
83 1 22 VAL H 1 22 VAL MG1 . . 4.390 3.178 1.984 3.782 . 0 0 "[ . 1 . 2]" 1
84 1 22 VAL H 1 22 VAL MG2 . . 4.390 3.155 1.914 3.819 . 0 0 "[ . 1 . 2]" 1
85 1 22 VAL H 1 23 SER H . . 3.980 3.236 1.805 4.128 0.148 14 0 "[ . 1 . 2]" 1
86 1 22 VAL HA 1 23 SER H . . 3.370 3.085 2.187 3.505 0.135 16 0 "[ . 1 . 2]" 1
87 1 22 VAL HB 1 23 SER H . . 4.570 3.439 1.883 4.653 0.083 18 0 "[ . 1 . 2]" 1
88 1 22 VAL QG 1 23 SER H . . 8.090 2.647 1.646 3.725 . 0 0 "[ . 1 . 2]" 1
89 1 22 VAL QG 1 76 ILE MG . . 5.730 2.258 1.634 3.161 . 0 0 "[ . 1 . 2]" 1
90 1 23 SER H 1 23 SER HB3 . . 3.950 3.384 2.465 3.965 0.015 10 0 "[ . 1 . 2]" 1
91 1 23 SER H 1 24 ALA H . . 3.020 2.832 1.851 3.189 0.169 18 0 "[ . 1 . 2]" 1
92 1 23 SER HA 1 25 ILE H . . 4.630 4.478 3.724 4.796 0.166 17 0 "[ . 1 . 2]" 1
93 1 24 ALA H 1 25 ILE H . . 3.580 3.223 2.993 3.727 0.147 16 0 "[ . 1 . 2]" 1
94 1 24 ALA H 1 78 VAL QG . . 7.470 5.013 4.256 5.473 . 0 0 "[ . 1 . 2]" 1
95 1 24 ALA HA 1 25 ILE H . . 3.520 2.630 2.514 2.787 . 0 0 "[ . 1 . 2]" 1
96 1 24 ALA HA 1 26 GLU H . . 4.570 3.127 2.950 3.355 . 0 0 "[ . 1 . 2]" 1
97 1 24 ALA HA 1 27 ARG H . . 4.070 3.524 3.265 3.934 . 0 0 "[ . 1 . 2]" 1
98 1 24 ALA HA 1 28 LYS H . . 5.500 4.670 4.307 5.166 . 0 0 "[ . 1 . 2]" 1
99 1 24 ALA MB 1 26 GLU H . . 6.530 4.011 3.343 4.378 . 0 0 "[ . 1 . 2]" 1
100 1 24 ALA MB 1 27 ARG H . . 6.530 3.052 2.365 3.443 . 0 0 "[ . 1 . 2]" 1
101 1 25 ILE H 1 25 ILE HB . . 2.770 2.366 2.266 2.733 . 0 0 "[ . 1 . 2]" 1
102 1 25 ILE H 1 25 ILE MD . . 5.410 3.500 2.619 3.871 . 0 0 "[ . 1 . 2]" 1
103 1 25 ILE H 1 25 ILE HG13 . . 3.580 2.240 1.930 2.439 . 0 0 "[ . 1 . 2]" 1
104 1 25 ILE H 1 26 GLU H . . 2.900 2.544 2.399 2.821 . 0 0 "[ . 1 . 2]" 1
105 1 25 ILE H 1 40 LEU QD . . 8.070 5.569 4.329 6.087 . 0 0 "[ . 1 . 2]" 1
106 1 25 ILE HA 1 26 GLU H . . 3.560 3.520 3.431 3.572 0.012 18 0 "[ . 1 . 2]" 1
107 1 25 ILE HA 1 27 ARG H . . 4.880 4.520 4.229 4.880 . 0 0 "[ . 1 . 2]" 1
108 1 25 ILE HA 1 28 LYS H . . 3.610 3.526 3.289 3.651 0.041 18 0 "[ . 1 . 2]" 1
109 1 25 ILE HA 1 29 ALA H . . 4.480 3.334 3.121 3.519 . 0 0 "[ . 1 . 2]" 1
110 1 25 ILE HA 1 40 LEU QD . . 8.100 4.233 2.956 4.728 . 0 0 "[ . 1 . 2]" 1
111 1 25 ILE HB 1 26 GLU H . . 3.950 3.107 2.896 3.378 . 0 0 "[ . 1 . 2]" 1
112 1 25 ILE HB 1 29 ALA H . . 5.500 5.376 5.141 5.536 0.036 6 0 "[ . 1 . 2]" 1
113 1 25 ILE MD 1 26 GLU H . . 6.530 4.902 4.461 5.105 . 0 0 "[ . 1 . 2]" 1
114 1 25 ILE MD 1 40 LEU HB3 . . 6.340 3.192 2.055 5.079 . 0 0 "[ . 1 . 2]" 1
115 1 25 ILE MD 1 88 LEU H . . 5.290 4.175 3.948 4.315 . 0 0 "[ . 1 . 2]" 1
116 1 25 ILE MD 1 88 LEU QD . . 6.820 2.611 2.260 2.965 . 0 0 "[ . 1 . 2]" 1
117 1 25 ILE MD 1 88 LEU HG . . 4.970 2.012 1.790 2.409 . 0 0 "[ . 1 . 2]" 1
118 1 25 ILE MD 1 92 LYS H . . 6.530 3.881 3.274 4.814 . 0 0 "[ . 1 . 2]" 1
119 1 25 ILE MG 1 26 GLU H . . 5.880 3.755 3.577 4.079 . 0 0 "[ . 1 . 2]" 1
120 1 25 ILE MG 1 27 ARG H . . 6.530 5.274 5.064 5.420 . 0 0 "[ . 1 . 2]" 1
121 1 25 ILE MG 1 29 ALA H . . 5.500 3.495 3.313 3.757 . 0 0 "[ . 1 . 2]" 1
122 1 25 ILE MG 1 29 ALA MB . . 4.700 2.575 2.337 2.857 . 0 0 "[ . 1 . 2]" 1
123 1 25 ILE MG 1 40 LEU HB3 . . 6.530 4.492 3.841 4.878 . 0 0 "[ . 1 . 2]" 1
124 1 25 ILE MG 1 88 LEU H . . 6.200 4.950 4.689 5.068 . 0 0 "[ . 1 . 2]" 1
125 1 26 GLU H 1 26 GLU HB3 . . 3.610 2.813 2.124 3.567 . 0 0 "[ . 1 . 2]" 1
126 1 26 GLU H 1 26 GLU HG3 . . 4.170 2.754 1.855 4.314 0.144 7 0 "[ . 1 . 2]" 1
127 1 26 GLU H 1 27 ARG H . . 2.910 2.615 2.493 2.804 . 0 0 "[ . 1 . 2]" 1
128 1 26 GLU HA 1 27 ARG H . . 3.610 3.617 3.594 3.644 0.034 16 0 "[ . 1 . 2]" 1
129 1 26 GLU HA 1 29 ALA H . . 3.890 3.845 3.634 3.941 0.051 14 0 "[ . 1 . 2]" 1
130 1 26 GLU HA 1 29 ALA MB . . 5.030 2.686 2.295 3.036 . 0 0 "[ . 1 . 2]" 1
131 1 26 GLU HA 1 30 MET H . . 4.290 3.796 3.469 4.149 . 0 0 "[ . 1 . 2]" 1
132 1 27 ARG H 1 27 ARG HB3 . . 3.640 3.131 2.349 3.553 . 0 0 "[ . 1 . 2]" 1
133 1 27 ARG H 1 27 ARG HG3 . . 4.540 3.702 1.912 4.374 . 0 0 "[ . 1 . 2]" 1
134 1 27 ARG H 1 28 LYS H . . 2.870 2.666 2.414 2.814 . 0 0 "[ . 1 . 2]" 1
135 1 27 ARG HA 1 28 LYS H . . 3.610 3.627 3.573 3.647 0.037 15 0 "[ . 1 . 2]" 1
136 1 27 ARG HA 1 30 MET H . . 4.410 3.733 3.432 3.939 . 0 0 "[ . 1 . 2]" 1
137 1 27 ARG HB3 1 28 LYS H . . 4.690 3.058 2.401 4.005 . 0 0 "[ . 1 . 2]" 1
138 1 28 LYS H 1 28 LYS HG3 . . 5.310 3.674 2.735 4.499 . 0 0 "[ . 1 . 2]" 1
139 1 28 LYS H 1 29 ALA H . . 2.800 2.821 2.697 2.877 0.077 18 0 "[ . 1 . 2]" 1
140 1 28 LYS HA 1 31 GLU H . . 3.640 3.271 3.023 3.460 . 0 0 "[ . 1 . 2]" 1
141 1 29 ALA H 1 29 ALA HA . . 2.710 2.733 2.693 2.808 0.098 17 0 "[ . 1 . 2]" 1
142 1 29 ALA H 1 30 MET H . . 3.110 2.973 2.775 3.133 0.023 2 0 "[ . 1 . 2]" 1
143 1 29 ALA HA 1 33 ILE H . . 5.500 3.386 3.269 3.610 . 0 0 "[ . 1 . 2]" 1
144 1 29 ALA MB 1 31 GLU H . . 5.500 4.075 3.950 4.337 . 0 0 "[ . 1 . 2]" 1
145 1 29 ALA MB 1 33 ILE MD . . 5.080 3.152 2.993 3.239 . 0 0 "[ . 1 . 2]" 1
146 1 29 ALA MB 1 33 ILE MG . . 4.580 2.979 2.904 3.023 . 0 0 "[ . 1 . 2]" 1
147 1 30 MET H 1 30 MET HB3 . . 3.330 3.043 2.210 3.393 0.063 6 0 "[ . 1 . 2]" 1
148 1 30 MET H 1 30 MET HG3 . . 4.260 3.919 3.237 4.356 0.096 9 0 "[ . 1 . 2]" 1
149 1 30 MET H 1 31 GLU H . . 2.680 2.677 2.463 2.763 0.083 15 0 "[ . 1 . 2]" 1
150 1 30 MET HA 1 33 ILE H . . 5.500 4.464 4.221 4.567 . 0 0 "[ . 1 . 2]" 1
151 1 30 MET HA 1 33 ILE HB . . 5.300 5.165 4.881 5.281 . 0 0 "[ . 1 . 2]" 1
152 1 30 MET HB3 1 31 GLU H . . 4.170 3.431 3.076 3.731 . 0 0 "[ . 1 . 2]" 1
153 1 31 GLU H 1 31 GLU HA . . 2.870 2.846 2.826 2.858 . 0 0 "[ . 1 . 2]" 1
154 1 31 GLU H 1 31 GLU HB3 . . 3.330 3.277 3.211 3.333 0.003 9 0 "[ . 1 . 2]" 1
155 1 31 GLU H 1 31 GLU HG3 . . 4.820 3.983 3.464 4.361 . 0 0 "[ . 1 . 2]" 1
156 1 31 GLU H 1 32 ASN H . . 3.520 3.378 3.340 3.445 . 0 0 "[ . 1 . 2]" 1
157 1 31 GLU H 1 33 ILE HA . . 5.500 5.281 5.173 5.409 . 0 0 "[ . 1 . 2]" 1
158 1 31 GLU HA 1 33 ILE H . . 4.600 4.359 4.294 4.407 . 0 0 "[ . 1 . 2]" 1
159 1 31 GLU HB3 1 32 ASN H . . 4.480 4.389 4.377 4.401 . 0 0 "[ . 1 . 2]" 1
160 1 32 ASN H 1 32 ASN HA . . 2.400 2.177 2.171 2.185 . 0 0 "[ . 1 . 2]" 1
161 1 32 ASN H 1 32 ASN HB3 . . 4.040 4.042 4.018 4.062 0.022 13 0 "[ . 1 . 2]" 1
162 1 32 ASN H 1 33 ILE H . . 3.670 2.831 2.756 2.889 . 0 0 "[ . 1 . 2]" 1
163 1 32 ASN HB3 1 33 ILE H . . 4.570 4.406 4.338 4.431 . 0 0 "[ . 1 . 2]" 1
164 1 33 ILE H 1 33 ILE HA . . 2.930 2.755 2.718 2.797 . 0 0 "[ . 1 . 2]" 1
165 1 33 ILE H 1 33 ILE HB . . 2.710 1.991 1.985 2.004 . 0 0 "[ . 1 . 2]" 1
166 1 33 ILE H 1 33 ILE MG . . 4.050 3.022 2.981 3.059 . 0 0 "[ . 1 . 2]" 1
167 1 33 ILE H 1 34 GLU H . . 5.500 4.543 2.759 4.672 . 0 0 "[ . 1 . 2]" 1
168 1 33 ILE HA 1 35 LYS H . . 5.500 4.076 3.130 4.783 . 0 0 "[ . 1 . 2]" 1
169 1 33 ILE HA 1 36 SER H . . 5.280 4.957 3.508 5.307 0.027 12 0 "[ . 1 . 2]" 1
170 1 33 ILE HA 1 37 ARG H . . 5.410 5.277 4.295 5.493 0.083 20 0 "[ . 1 . 2]" 1
171 1 34 GLU H 1 35 LYS H . . 5.500 2.214 1.880 3.677 . 0 0 "[ . 1 . 2]" 1
172 1 35 LYS H 1 35 LYS HG3 . . 5.500 4.172 2.902 5.319 . 0 0 "[ . 1 . 2]" 1
173 1 35 LYS H 1 36 SER H . . 3.020 2.590 1.891 3.055 0.035 18 0 "[ . 1 . 2]" 1
174 1 35 LYS HA 1 36 SER H . . 3.240 2.653 2.299 3.273 0.033 4 0 "[ . 1 . 2]" 1
175 1 36 SER H 1 37 ARG H . . 2.960 2.522 1.881 3.009 0.049 11 0 "[ . 1 . 2]" 1
176 1 36 SER HA 1 37 ARG H . . 3.550 3.365 2.336 3.648 0.098 12 0 "[ . 1 . 2]" 1
177 1 37 ARG H 1 37 ARG HG3 . . 5.440 3.681 2.123 4.742 . 0 0 "[ . 1 . 2]" 1
178 1 37 ARG H 1 38 ASN H . . 5.500 3.137 2.156 4.670 . 0 0 "[ . 1 . 2]" 1
179 1 38 ASN H 1 38 ASN HA . . 2.400 2.187 2.167 2.218 . 0 0 "[ . 1 . 2]" 1
180 1 38 ASN H 1 39 THR H . . 3.800 2.569 2.298 2.977 . 0 0 "[ . 1 . 2]" 1
181 1 38 ASN HA 1 39 THR H . . 3.170 2.985 2.715 3.371 0.201 10 0 "[ . 1 . 2]" 1
182 1 38 ASN HB3 1 39 THR H . . 5.500 4.278 3.505 4.720 . 0 0 "[ . 1 . 2]" 1
183 1 39 THR H 1 39 THR HB . . 3.240 2.301 2.162 2.418 . 0 0 "[ . 1 . 2]" 1
184 1 39 THR H 1 40 LEU H . . 3.800 3.078 2.897 3.218 . 0 0 "[ . 1 . 2]" 1
185 1 39 THR H 1 41 ASP HB3 . . 5.500 4.408 4.192 4.537 . 0 0 "[ . 1 . 2]" 1
186 1 39 THR H 1 42 PHE H . . 4.380 4.312 4.129 4.457 0.077 12 0 "[ . 1 . 2]" 1
187 1 39 THR HA 1 42 PHE HB3 . . 5.500 2.864 2.685 3.012 . 0 0 "[ . 1 . 2]" 1
188 1 39 THR MG 1 40 LEU H . . 4.510 2.604 2.260 2.931 . 0 0 "[ . 1 . 2]" 1
189 1 40 LEU H 1 40 LEU HA . . 2.740 2.716 2.697 2.761 0.021 12 0 "[ . 1 . 2]" 1
190 1 40 LEU H 1 40 LEU HB3 . . 3.800 2.287 2.034 2.689 . 0 0 "[ . 1 . 2]" 1
191 1 40 LEU H 1 40 LEU HG . . 3.670 3.564 2.183 3.825 0.155 18 0 "[ . 1 . 2]" 1
192 1 40 LEU H 1 41 ASP H . . 3.060 2.808 2.714 2.846 . 0 0 "[ . 1 . 2]" 1
193 1 40 LEU HA 1 40 LEU MD1 . . 4.790 3.627 3.318 4.052 . 0 0 "[ . 1 . 2]" 1
194 1 40 LEU HA 1 40 LEU MD2 . . 4.790 3.557 3.212 4.102 . 0 0 "[ . 1 . 2]" 1
195 1 40 LEU HA 1 42 PHE H . . 4.760 4.767 4.564 4.837 0.077 12 0 "[ . 1 . 2]" 1
196 1 40 LEU HA 1 43 VAL QG . . 6.870 2.798 2.692 3.049 . 0 0 "[ . 1 . 2]" 1
197 1 40 LEU HB3 1 41 ASP H . . 5.500 4.077 3.820 4.408 . 0 0 "[ . 1 . 2]" 1
198 1 40 LEU QD 1 44 LYS H . . 8.070 4.293 3.667 5.110 . 0 0 "[ . 1 . 2]" 1
199 1 40 LEU MD1 1 41 ASP HA . . 5.500 3.923 2.712 4.528 . 0 0 "[ . 1 . 2]" 1
200 1 40 LEU MD1 1 41 ASP HB3 . . 8.640 4.659 3.496 6.220 . 0 0 "[ . 1 . 2]" 1
201 1 40 LEU MD2 1 41 ASP HA . . 5.500 3.129 2.364 4.670 . 0 0 "[ . 1 . 2]" 1
202 1 40 LEU MD2 1 41 ASP HB3 . . 8.640 4.242 3.760 6.047 . 0 0 "[ . 1 . 2]" 1
203 1 41 ASP H 1 41 ASP HB3 . . 3.300 2.650 2.592 2.691 . 0 0 "[ . 1 . 2]" 1
204 1 41 ASP H 1 42 PHE H . . 2.770 2.688 2.524 2.777 0.007 4 0 "[ . 1 . 2]" 1
205 1 41 ASP HA 1 42 PHE H . . 3.580 3.650 3.645 3.654 0.074 12 0 "[ . 1 . 2]" 1
206 1 41 ASP HA 1 43 VAL H . . 4.260 4.188 4.090 4.283 0.023 2 0 "[ . 1 . 2]" 1
207 1 41 ASP HA 1 44 LYS H . . 4.410 3.114 3.044 3.259 . 0 0 "[ . 1 . 2]" 1
208 1 41 ASP HA 1 45 SER H . . 4.910 4.368 4.272 4.452 . 0 0 "[ . 1 . 2]" 1
209 1 41 ASP HB3 1 42 PHE H . . 4.290 2.175 2.120 2.274 . 0 0 "[ . 1 . 2]" 1
210 1 42 PHE H 1 42 PHE HB3 . . 3.390 2.168 2.076 2.208 . 0 0 "[ . 1 . 2]" 1
211 1 42 PHE H 1 43 VAL H . . 2.870 2.815 2.666 2.889 0.019 5 0 "[ . 1 . 2]" 1
212 1 42 PHE H 1 44 LYS H . . 4.350 3.979 3.878 4.173 . 0 0 "[ . 1 . 2]" 1
213 1 42 PHE HA 1 43 VAL H . . 3.550 3.581 3.555 3.600 0.050 5 0 "[ . 1 . 2]" 1
214 1 42 PHE HA 1 43 VAL HA . . 5.500 4.685 4.672 4.695 . 0 0 "[ . 1 . 2]" 1
215 1 42 PHE HA 1 43 VAL HB . . 5.500 5.501 5.488 5.519 0.019 17 0 "[ . 1 . 2]" 1
216 1 42 PHE HA 1 45 SER H . . 4.450 3.650 3.403 3.922 . 0 0 "[ . 1 . 2]" 1
217 1 42 PHE HB3 1 43 VAL H . . 4.110 2.760 2.656 2.899 . 0 0 "[ . 1 . 2]" 1
218 1 42 PHE QD 1 43 VAL HB . . 5.120 3.503 3.062 4.101 . 0 0 "[ . 1 . 2]" 1
219 1 42 PHE QD 1 43 VAL QG . . 7.060 2.916 2.449 3.487 . 0 0 "[ . 1 . 2]" 1
220 1 43 VAL H 1 43 VAL HB . . 3.080 2.041 2.025 2.062 . 0 0 "[ . 1 . 2]" 1
221 1 43 VAL H 1 44 LYS H . . 2.900 2.340 2.290 2.392 . 0 0 "[ . 1 . 2]" 1
222 1 43 VAL HA 1 44 LYS H . . 3.450 3.533 3.496 3.603 0.153 15 0 "[ . 1 . 2]" 1
223 1 43 VAL HA 1 45 SER H . . 4.260 4.105 3.679 4.358 0.098 7 0 "[ . 1 . 2]" 1
224 1 43 VAL HA 1 46 LEU H . . 4.720 3.418 3.335 3.591 . 0 0 "[ . 1 . 2]" 1
225 1 43 VAL HA 1 46 LEU HG . . 5.500 3.852 2.149 4.400 . 0 0 "[ . 1 . 2]" 1
226 1 43 VAL HB 1 44 LYS H . . 3.670 3.456 3.258 3.566 . 0 0 "[ . 1 . 2]" 1
227 1 43 VAL QG 1 44 LYS H . . 7.060 2.662 2.224 2.998 . 0 0 "[ . 1 . 2]" 1
228 1 43 VAL QG 1 46 LEU HG . . 7.050 4.027 2.395 4.283 . 0 0 "[ . 1 . 2]" 1
229 1 43 VAL MG1 1 46 LEU HB3 . . 6.200 4.654 4.378 4.751 . 0 0 "[ . 1 . 2]" 1
230 1 43 VAL MG2 1 46 LEU HB3 . . 6.200 4.749 4.524 4.886 . 0 0 "[ . 1 . 2]" 1
231 1 44 LYS H 1 44 LYS HB3 . . 3.300 2.685 2.054 3.429 0.129 15 0 "[ . 1 . 2]" 1
232 1 44 LYS H 1 44 LYS HG3 . . 4.070 3.463 2.932 4.093 0.023 20 0 "[ . 1 . 2]" 1
233 1 44 LYS H 1 45 SER H . . 3.020 2.638 2.456 2.874 . 0 0 "[ . 1 . 2]" 1
234 1 44 LYS HA 1 46 LEU H . . 4.540 4.027 3.471 4.242 . 0 0 "[ . 1 . 2]" 1
235 1 44 LYS HA 1 47 LYS H . . 4.350 3.715 3.502 4.508 0.158 16 0 "[ . 1 . 2]" 1
236 1 44 LYS HB3 1 45 SER H . . 4.080 3.419 2.909 3.809 . 0 0 "[ . 1 . 2]" 1
237 1 45 SER H 1 46 LEU H . . 2.900 2.812 2.508 2.933 0.033 18 0 "[ . 1 . 2]" 1
238 1 45 SER H 1 47 LYS H . . 4.630 4.565 4.103 4.707 0.077 12 0 "[ . 1 . 2]" 1
239 1 46 LEU H 1 46 LEU HA . . 2.800 2.705 2.661 2.896 0.096 12 0 "[ . 1 . 2]" 1
240 1 46 LEU H 1 46 LEU HB3 . . 3.360 3.351 3.311 3.504 0.144 11 0 "[ . 1 . 2]" 1
241 1 46 LEU H 1 46 LEU HG . . 3.420 3.206 2.603 3.367 . 0 0 "[ . 1 . 2]" 1
242 1 46 LEU H 1 47 LYS H . . 4.010 3.008 2.569 3.171 . 0 0 "[ . 1 . 2]" 1
243 1 46 LEU HA 1 47 LYS H . . 3.610 3.545 2.824 3.637 0.027 19 0 "[ . 1 . 2]" 1
244 1 47 LYS H 1 48 SER H . . 2.740 2.827 2.769 3.045 0.305 16 0 "[ . 1 . 2]" 1
245 1 49 PRO HA 1 50 VAL H . . 2.930 2.254 2.151 2.359 . 0 0 "[ . 1 . 2]" 1
246 1 50 VAL H 1 50 VAL HB . . 3.080 2.885 2.696 2.969 . 0 0 "[ . 1 . 2]" 1
247 1 50 VAL H 1 51 ARG H . . 4.570 4.358 4.245 4.442 . 0 0 "[ . 1 . 2]" 1
248 1 50 VAL H 1 110 VAL H . . 4.110 2.887 2.480 3.251 . 0 0 "[ . 1 . 2]" 1
249 1 50 VAL H 1 110 VAL HB . . 5.500 4.633 4.298 5.188 . 0 0 "[ . 1 . 2]" 1
250 1 50 VAL H 1 110 VAL QG . . 7.100 3.008 2.627 3.561 . 0 0 "[ . 1 . 2]" 1
251 1 50 VAL H 1 111 THR H . . 5.500 4.749 4.568 4.920 . 0 0 "[ . 1 . 2]" 1
252 1 50 VAL H 1 111 THR MG . . 5.500 4.297 4.042 4.486 . 0 0 "[ . 1 . 2]" 1
253 1 50 VAL HA 1 51 ARG H . . 3.110 2.385 2.236 2.450 . 0 0 "[ . 1 . 2]" 1
254 1 50 VAL HB 1 110 VAL H . . 4.900 3.633 3.274 3.980 . 0 0 "[ . 1 . 2]" 1
255 1 50 VAL HB 1 110 VAL HB . . 4.820 4.331 4.212 4.453 . 0 0 "[ . 1 . 2]" 1
256 1 50 VAL HB 1 110 VAL QG . . 8.090 3.243 3.003 3.414 . 0 0 "[ . 1 . 2]" 1
257 1 50 VAL QG 1 51 ARG H . . 4.270 1.977 1.910 2.237 . 0 0 "[ . 1 . 2]" 1
258 1 50 VAL QG 1 71 SER HA . . 4.420 2.817 2.580 2.990 . 0 0 "[ . 1 . 2]" 1
259 1 50 VAL QG 1 74 GLU H . . 8.090 4.524 4.158 4.607 . 0 0 "[ . 1 . 2]" 1
260 1 50 VAL MG1 1 51 ARG H . . 4.920 1.983 1.914 2.247 . 0 0 "[ . 1 . 2]" 1
261 1 50 VAL MG1 1 71 SER HA . . 5.540 2.863 2.611 3.044 . 0 0 "[ . 1 . 2]" 1
262 1 50 VAL MG1 1 110 VAL H . . 6.530 4.333 4.070 4.759 . 0 0 "[ . 1 . 2]" 1
263 1 50 VAL MG1 1 110 VAL HB . . 6.530 5.228 5.070 5.403 . 0 0 "[ . 1 . 2]" 1
264 1 50 VAL MG2 1 51 ARG H . . 4.920 3.939 3.811 4.107 . 0 0 "[ . 1 . 2]" 1
265 1 50 VAL MG2 1 71 SER HA . . 5.540 4.216 4.015 4.479 . 0 0 "[ . 1 . 2]" 1
266 1 50 VAL MG2 1 110 VAL H . . 6.530 4.764 4.593 4.988 . 0 0 "[ . 1 . 2]" 1
267 1 50 VAL MG2 1 110 VAL HB . . 6.530 5.271 5.035 5.423 . 0 0 "[ . 1 . 2]" 1
268 1 51 ARG H 1 51 ARG HB3 . . 3.730 3.221 2.779 3.771 0.041 19 0 "[ . 1 . 2]" 1
269 1 51 ARG H 1 51 ARG HG3 . . 5.500 4.413 3.669 5.079 . 0 0 "[ . 1 . 2]" 1
270 1 51 ARG H 1 52 ILE H . . 4.260 4.237 4.158 4.323 0.063 16 0 "[ . 1 . 2]" 1
271 1 51 ARG H 1 71 SER HA . . 4.760 4.647 4.155 4.810 0.050 1 0 "[ . 1 . 2]" 1
272 1 51 ARG HA 1 52 ILE H . . 2.530 2.292 2.256 2.328 . 0 0 "[ . 1 . 2]" 1
273 1 51 ARG HA 1 110 VAL H . . 4.140 3.404 3.175 3.676 . 0 0 "[ . 1 . 2]" 1
274 1 51 ARG HB3 1 52 ILE H . . 4.380 3.993 3.756 4.234 . 0 0 "[ . 1 . 2]" 1
275 1 52 ILE H 1 52 ILE HB . . 3.670 3.668 3.576 3.766 0.096 1 0 "[ . 1 . 2]" 1
276 1 52 ILE H 1 52 ILE MD . . 5.470 4.043 3.912 4.127 . 0 0 "[ . 1 . 2]" 1
277 1 52 ILE H 1 52 ILE HG13 . . 3.700 2.441 2.241 2.728 . 0 0 "[ . 1 . 2]" 1
278 1 52 ILE H 1 53 LEU H . . 5.410 4.304 4.266 4.365 . 0 0 "[ . 1 . 2]" 1
279 1 52 ILE H 1 108 ILE H . . 3.800 3.422 3.227 3.567 . 0 0 "[ . 1 . 2]" 1
280 1 52 ILE H 1 108 ILE HB . . 5.500 4.514 4.176 4.785 . 0 0 "[ . 1 . 2]" 1
281 1 52 ILE HA 1 53 LEU H . . 2.540 2.314 2.303 2.327 . 0 0 "[ . 1 . 2]" 1
282 1 52 ILE HB 1 53 LEU H . . 4.110 3.052 2.910 3.114 . 0 0 "[ . 1 . 2]" 1
283 1 52 ILE HB 1 67 LEU HA . . 5.500 4.140 3.739 4.608 . 0 0 "[ . 1 . 2]" 1
284 1 52 ILE HB 1 108 ILE H . . 5.500 4.940 4.759 5.155 . 0 0 "[ . 1 . 2]" 1
285 1 52 ILE HB 1 108 ILE HB . . 5.400 5.457 5.367 5.551 0.151 8 0 "[ . 1 . 2]" 1
286 1 52 ILE HB 1 108 ILE MD . . 5.040 4.102 4.064 4.148 . 0 0 "[ . 1 . 2]" 1
287 1 52 ILE MD 1 67 LEU HA . . 6.310 4.376 3.794 4.801 . 0 0 "[ . 1 . 2]" 1
288 1 52 ILE MD 1 67 LEU HB3 . . 5.470 3.002 2.837 3.149 . 0 0 "[ . 1 . 2]" 1
289 1 52 ILE MD 1 67 LEU HG . . 6.530 4.585 4.240 5.265 . 0 0 "[ . 1 . 2]" 1
290 1 52 ILE MD 1 70 GLU HB3 . . 6.530 5.138 4.360 5.433 . 0 0 "[ . 1 . 2]" 1
291 1 52 ILE MD 1 108 ILE H . . 6.400 5.307 5.236 5.384 . 0 0 "[ . 1 . 2]" 1
292 1 52 ILE MD 1 108 ILE MD . . 7.460 4.013 3.656 4.236 . 0 0 "[ . 1 . 2]" 1
293 1 52 ILE MD 1 109 GLY QA . . 7.410 4.731 4.379 5.116 . 0 0 "[ . 1 . 2]" 1
294 1 52 ILE HG13 1 67 LEU HB3 . . 7.250 5.583 5.206 5.899 . 0 0 "[ . 1 . 2]" 1
295 1 52 ILE MG 1 67 LEU HB3 . . 6.530 2.382 1.945 3.214 . 0 0 "[ . 1 . 2]" 1
296 1 52 ILE MG 1 67 LEU HG . . 6.530 3.853 3.392 4.456 . 0 0 "[ . 1 . 2]" 1
297 1 52 ILE MG 1 71 SER HA . . 5.470 3.914 3.627 4.225 . 0 0 "[ . 1 . 2]" 1
298 1 53 LEU H 1 53 LEU HB3 . . 3.420 2.272 2.208 2.424 . 0 0 "[ . 1 . 2]" 1
299 1 53 LEU H 1 53 LEU MD1 . . 5.410 4.425 4.349 4.516 . 0 0 "[ . 1 . 2]" 1
300 1 53 LEU H 1 53 LEU QD . . 4.970 3.379 3.114 3.765 . 0 0 "[ . 1 . 2]" 1
301 1 53 LEU H 1 53 LEU MD2 . . 5.410 3.518 3.184 4.070 . 0 0 "[ . 1 . 2]" 1
302 1 53 LEU H 1 53 LEU HG . . 4.480 4.436 4.298 4.515 0.035 7 0 "[ . 1 . 2]" 1
303 1 53 LEU H 1 54 CYS H . . 4.590 4.569 4.542 4.589 . 0 0 "[ . 1 . 2]" 1
304 1 53 LEU H 1 107 GLU HA . . 5.340 4.905 4.820 5.038 . 0 0 "[ . 1 . 2]" 1
305 1 53 LEU H 1 108 ILE H . . 5.130 4.860 4.727 4.994 . 0 0 "[ . 1 . 2]" 1
306 1 53 LEU HA 1 54 CYS H . . 2.550 2.308 2.262 2.323 . 0 0 "[ . 1 . 2]" 1
307 1 53 LEU HA 1 106 PHE H . . 5.500 5.399 5.119 5.543 0.043 15 0 "[ . 1 . 2]" 1
308 1 53 LEU HA 1 108 ILE H . . 5.500 2.846 2.556 3.079 . 0 0 "[ . 1 . 2]" 1
309 1 53 LEU HB3 1 54 CYS H . . 4.320 4.166 3.960 4.293 . 0 0 "[ . 1 . 2]" 1
310 1 53 LEU QD 1 54 CYS H . . 5.760 2.929 2.602 3.156 . 0 0 "[ . 1 . 2]" 1
311 1 53 LEU QD 1 55 ARG H . . 8.100 3.395 3.055 4.391 . 0 0 "[ . 1 . 2]" 1
312 1 53 LEU QD 1 106 PHE H . . 7.870 3.644 3.084 3.900 . 0 0 "[ . 1 . 2]" 1
313 1 53 LEU QD 1 107 GLU HA . . 8.100 3.758 2.321 4.061 . 0 0 "[ . 1 . 2]" 1
314 1 53 LEU MD1 1 54 CYS H . . 6.530 3.823 2.999 4.094 . 0 0 "[ . 1 . 2]" 1
315 1 53 LEU MD1 1 107 GLU HG3 . . 9.670 2.868 2.299 4.557 . 0 0 "[ . 1 . 2]" 1
316 1 53 LEU MD2 1 54 CYS H . . 6.530 3.091 2.643 3.793 . 0 0 "[ . 1 . 2]" 1
317 1 53 LEU MD2 1 107 GLU HG3 . . 9.670 4.954 3.834 7.158 . 0 0 "[ . 1 . 2]" 1
318 1 53 LEU HG 1 54 CYS H . . 4.690 2.233 2.099 2.448 . 0 0 "[ . 1 . 2]" 1
319 1 53 LEU HG 1 106 PHE H . . 5.500 3.679 3.342 3.918 . 0 0 "[ . 1 . 2]" 1
320 1 53 LEU HG 1 108 ILE H . . 5.500 5.280 4.953 5.496 . 0 0 "[ . 1 . 2]" 1
321 1 54 CYS H 1 54 CYS HA . . 2.930 2.928 2.918 2.932 0.002 8 0 "[ . 1 . 2]" 1
322 1 54 CYS H 1 55 ARG H . . 4.450 4.432 4.347 4.517 0.067 19 0 "[ . 1 . 2]" 1
323 1 54 CYS H 1 107 GLU HA . . 3.240 2.345 2.105 2.562 . 0 0 "[ . 1 . 2]" 1
324 1 54 CYS HA 1 55 ARG H . . 2.480 2.258 2.226 2.302 . 0 0 "[ . 1 . 2]" 1
325 1 54 CYS HA 1 60 LEU QD . . 8.070 3.911 3.470 4.237 . 0 0 "[ . 1 . 2]" 1
326 1 54 CYS HA 1 63 ILE MD . . 6.530 3.969 3.020 5.562 . 0 0 "[ . 1 . 2]" 1
327 1 55 ARG H 1 55 ARG HB3 . . 3.550 3.602 3.517 3.714 0.164 10 0 "[ . 1 . 2]" 1
328 1 55 ARG H 1 55 ARG HG3 . . 3.920 3.742 3.282 3.934 0.014 4 0 "[ . 1 . 2]" 1
329 1 55 ARG H 1 56 ARG H . . 4.510 4.390 4.371 4.405 . 0 0 "[ . 1 . 2]" 1
330 1 55 ARG HA 1 56 ARG H . . 2.870 2.787 2.770 2.807 . 0 0 "[ . 1 . 2]" 1
331 1 55 ARG HA 1 59 THR MG . . 5.500 4.502 4.423 4.562 . 0 0 "[ . 1 . 2]" 1
332 1 55 ARG HA 1 106 PHE H . . 5.500 3.527 3.230 3.766 . 0 0 "[ . 1 . 2]" 1
333 1 56 ARG H 1 56 ARG HB3 . . 3.450 3.140 2.414 3.487 0.037 7 0 "[ . 1 . 2]" 1
334 1 56 ARG H 1 56 ARG HG3 . . 3.550 3.112 2.322 3.545 . 0 0 "[ . 1 . 2]" 1
335 1 56 ARG H 1 57 GLY H . . 4.720 4.593 4.574 4.655 . 0 0 "[ . 1 . 2]" 1
336 1 56 ARG H 1 59 THR MG . . 5.490 3.400 3.241 3.523 . 0 0 "[ . 1 . 2]" 1
337 1 56 ARG HA 1 57 GLY H . . 2.830 2.255 2.242 2.328 . 0 0 "[ . 1 . 2]" 1
338 1 56 ARG HA 1 58 ASP H . . 4.410 3.808 3.717 3.920 . 0 0 "[ . 1 . 2]" 1
339 1 56 ARG HA 1 102 VAL HB . . 5.500 4.221 3.901 4.910 . 0 0 "[ . 1 . 2]" 1
340 1 56 ARG HA 1 102 VAL QG . . 6.750 2.693 2.540 3.188 . 0 0 "[ . 1 . 2]" 1
341 1 56 ARG HA 1 104 SER H . . 5.500 4.614 4.393 4.828 . 0 0 "[ . 1 . 2]" 1
342 1 57 GLY H 1 58 ASP H . . 3.140 2.826 2.724 2.863 . 0 0 "[ . 1 . 2]" 1
343 1 57 GLY H 1 60 LEU QD . . 5.680 4.072 3.933 4.195 . 0 0 "[ . 1 . 2]" 1
344 1 57 GLY H 1 101 VAL QG . . 7.690 4.475 4.340 4.676 . 0 0 "[ . 1 . 2]" 1
345 1 57 GLY H 1 102 VAL HB . . 3.550 2.355 1.920 3.582 0.032 17 0 "[ . 1 . 2]" 1
346 1 58 ASP H 1 58 ASP HB3 . . 3.210 2.688 2.192 3.266 0.056 17 0 "[ . 1 . 2]" 1
347 1 58 ASP H 1 59 THR H . . 2.890 2.661 2.479 3.072 0.182 17 0 "[ . 1 . 2]" 1
348 1 58 ASP H 1 102 VAL HB . . 4.800 3.927 3.318 4.814 0.014 17 0 "[ . 1 . 2]" 1
349 1 58 ASP H 1 102 VAL MG1 . . 5.210 3.864 1.828 4.441 . 0 0 "[ . 1 . 2]" 1
350 1 58 ASP H 1 102 VAL MG2 . . 5.210 2.204 1.741 3.685 . 0 0 "[ . 1 . 2]" 1
351 1 58 ASP HA 1 59 THR H . . 3.490 3.543 3.398 3.635 0.145 7 0 "[ . 1 . 2]" 1
352 1 58 ASP HA 1 60 LEU H . . 5.500 3.845 3.776 3.961 . 0 0 "[ . 1 . 2]" 1
353 1 58 ASP HA 1 61 ASP H . . 5.130 5.122 4.531 5.270 0.140 11 0 "[ . 1 . 2]" 1
354 1 59 THR H 1 59 THR HB . . 2.710 2.350 2.003 2.589 . 0 0 "[ . 1 . 2]" 1
355 1 59 THR H 1 59 THR MG . . 4.420 2.901 2.652 3.047 . 0 0 "[ . 1 . 2]" 1
356 1 59 THR HA 1 60 LEU H . . 3.420 3.231 3.189 3.374 . 0 0 "[ . 1 . 2]" 1
357 1 59 THR HA 1 61 ASP H . . 3.950 3.600 3.512 3.749 . 0 0 "[ . 1 . 2]" 1
358 1 59 THR HB 1 60 LEU H . . 4.090 4.158 4.000 4.257 0.167 10 0 "[ . 1 . 2]" 1
359 1 59 THR HB 1 62 GLU H . . 5.500 5.421 5.316 5.558 0.058 2 0 "[ . 1 . 2]" 1
360 1 59 THR MG 1 60 LEU H . . 6.530 3.389 2.977 3.530 . 0 0 "[ . 1 . 2]" 1
361 1 59 THR MG 1 61 ASP H . . 5.900 4.679 4.604 4.789 . 0 0 "[ . 1 . 2]" 1
362 1 59 THR MG 1 62 GLU H . . 5.140 3.817 3.626 4.093 . 0 0 "[ . 1 . 2]" 1
363 1 59 THR MG 1 63 ILE MD . . 5.370 3.332 1.664 3.814 . 0 0 "[ . 1 . 2]" 1
364 1 59 THR MG 1 63 ILE MG . . 5.400 3.553 3.424 3.738 . 0 0 "[ . 1 . 2]" 1
365 1 60 LEU H 1 60 LEU HB3 . . 3.020 2.800 2.486 2.899 . 0 0 "[ . 1 . 2]" 1
366 1 60 LEU H 1 60 LEU MD1 . . 5.750 3.576 3.363 4.052 . 0 0 "[ . 1 . 2]" 1
367 1 60 LEU H 1 60 LEU MD2 . . 5.750 4.188 4.095 4.259 . 0 0 "[ . 1 . 2]" 1
368 1 60 LEU H 1 60 LEU HG . . 4.630 4.467 4.404 4.509 . 0 0 "[ . 1 . 2]" 1
369 1 60 LEU H 1 61 ASP H . . 2.820 2.803 2.724 2.851 0.031 7 0 "[ . 1 . 2]" 1
370 1 60 LEU H 1 102 VAL QG . . 7.620 4.588 4.393 4.847 . 0 0 "[ . 1 . 2]" 1
371 1 60 LEU HA 1 61 ASP H . . 3.570 3.599 3.594 3.611 0.041 18 0 "[ . 1 . 2]" 1
372 1 60 LEU HA 1 62 GLU H . . 4.880 4.476 4.415 4.545 . 0 0 "[ . 1 . 2]" 1
373 1 60 LEU HA 1 63 ILE H . . 3.610 3.167 3.048 3.252 . 0 0 "[ . 1 . 2]" 1
374 1 60 LEU HA 1 63 ILE HB . . 3.830 2.297 1.999 2.487 . 0 0 "[ . 1 . 2]" 1
375 1 60 LEU HA 1 63 ILE MD . . 5.750 4.623 4.086 4.806 . 0 0 "[ . 1 . 2]" 1
376 1 60 LEU HA 1 63 ILE MG . . 5.390 2.102 1.895 2.504 . 0 0 "[ . 1 . 2]" 1
377 1 60 LEU HA 1 64 ILE H . . 3.980 3.946 3.759 4.070 0.090 19 0 "[ . 1 . 2]" 1
378 1 60 LEU HB3 1 61 ASP H . . 4.170 2.755 2.668 2.788 . 0 0 "[ . 1 . 2]" 1
379 1 60 LEU QD 1 61 ASP H . . 7.010 4.135 3.806 4.203 . 0 0 "[ . 1 . 2]" 1
380 1 60 LEU QD 1 64 ILE MD . . 5.700 3.011 2.287 3.346 . 0 0 "[ . 1 . 2]" 1
381 1 60 LEU QD 1 82 SER H . . 7.370 3.584 3.083 3.873 . 0 0 "[ . 1 . 2]" 1
382 1 60 LEU MD1 1 82 SER HA . . 6.530 4.962 4.474 5.264 . 0 0 "[ . 1 . 2]" 1
383 1 60 LEU MD1 1 82 SER HB3 . . 8.220 2.823 2.224 3.433 . 0 0 "[ . 1 . 2]" 1
384 1 60 LEU MD1 1 83 ILE HG13 . . 7.290 4.305 3.806 4.721 . 0 0 "[ . 1 . 2]" 1
385 1 60 LEU MD2 1 82 SER HA . . 6.530 5.101 4.461 5.341 . 0 0 "[ . 1 . 2]" 1
386 1 60 LEU MD2 1 82 SER HB3 . . 8.220 3.164 2.368 4.251 . 0 0 "[ . 1 . 2]" 1
387 1 60 LEU MD2 1 83 ILE HG13 . . 7.290 2.066 1.811 2.329 . 0 0 "[ . 1 . 2]" 1
388 1 60 LEU HG 1 61 ASP H . . 4.510 4.480 4.068 4.603 0.093 4 0 "[ . 1 . 2]" 1
389 1 60 LEU HG 1 63 ILE HB . . 4.850 4.699 4.246 4.928 0.078 17 0 "[ . 1 . 2]" 1
390 1 60 LEU HG 1 63 ILE MG . . 3.850 2.916 2.700 3.092 . 0 0 "[ . 1 . 2]" 1
391 1 60 LEU HG 1 64 ILE H . . 5.500 4.603 4.110 4.828 . 0 0 "[ . 1 . 2]" 1
392 1 60 LEU HG 1 83 ILE HG13 . . 4.630 3.762 3.486 3.935 . 0 0 "[ . 1 . 2]" 1
393 1 61 ASP H 1 61 ASP HA . . 2.900 2.718 2.692 2.733 . 0 0 "[ . 1 . 2]" 1
394 1 61 ASP H 1 61 ASP HB3 . . 3.490 2.432 2.313 2.800 . 0 0 "[ . 1 . 2]" 1
395 1 61 ASP H 1 62 GLU H . . 2.800 2.813 2.762 2.874 0.074 2 0 "[ . 1 . 2]" 1
396 1 61 ASP HA 1 62 GLU H . . 3.560 3.638 3.634 3.642 0.082 1 0 "[ . 1 . 2]" 1
397 1 61 ASP HA 1 63 ILE H . . 4.630 4.611 4.492 4.683 0.053 8 0 "[ . 1 . 2]" 1
398 1 61 ASP HA 1 64 ILE H . . 3.860 3.721 3.684 3.757 . 0 0 "[ . 1 . 2]" 1
399 1 61 ASP HA 1 64 ILE HB . . 3.860 3.175 2.879 3.384 . 0 0 "[ . 1 . 2]" 1
400 1 61 ASP HA 1 64 ILE MD . . 4.960 2.288 1.759 4.068 . 0 0 "[ . 1 . 2]" 1
401 1 61 ASP HA 1 64 ILE MG . . 5.310 4.255 3.878 4.426 . 0 0 "[ . 1 . 2]" 1
402 1 61 ASP HA 1 65 LYS H . . 5.120 5.143 4.966 5.254 0.134 1 0 "[ . 1 . 2]" 1
403 1 61 ASP HB3 1 62 GLU H . . 4.380 3.760 3.690 3.966 . 0 0 "[ . 1 . 2]" 1
404 1 62 GLU H 1 62 GLU HB3 . . 2.990 2.743 2.168 3.025 0.035 10 0 "[ . 1 . 2]" 1
405 1 62 GLU H 1 63 ILE H . . 2.830 2.511 2.478 2.546 . 0 0 "[ . 1 . 2]" 1
406 1 62 GLU H 1 65 LYS H . . 5.440 5.083 4.869 5.173 . 0 0 "[ . 1 . 2]" 1
407 1 62 GLU HA 1 63 ILE H . . 3.560 3.591 3.573 3.603 0.043 8 0 "[ . 1 . 2]" 1
408 1 62 GLU HA 1 64 ILE H . . 4.350 3.826 3.731 4.029 . 0 0 "[ . 1 . 2]" 1
409 1 62 GLU HA 1 65 LYS H . . 3.420 3.266 3.161 3.351 . 0 0 "[ . 1 . 2]" 1
410 1 62 GLU HA 1 66 ARG H . . 4.720 4.512 4.408 4.576 . 0 0 "[ . 1 . 2]" 1
411 1 63 ILE H 1 63 ILE HB . . 2.770 1.995 1.978 2.006 . 0 0 "[ . 1 . 2]" 1
412 1 63 ILE H 1 63 ILE MD . . 4.920 3.714 2.480 4.036 . 0 0 "[ . 1 . 2]" 1
413 1 63 ILE H 1 63 ILE MG . . 4.480 3.044 2.953 3.279 . 0 0 "[ . 1 . 2]" 1
414 1 63 ILE H 1 64 ILE H . . 2.820 2.654 2.591 2.717 . 0 0 "[ . 1 . 2]" 1
415 1 63 ILE HA 1 64 ILE H . . 3.560 3.531 3.501 3.571 0.011 8 0 "[ . 1 . 2]" 1
416 1 63 ILE HA 1 66 ARG H . . 3.950 3.118 3.045 3.183 . 0 0 "[ . 1 . 2]" 1
417 1 63 ILE HA 1 66 ARG HB3 . . 5.370 3.837 3.603 4.288 . 0 0 "[ . 1 . 2]" 1
418 1 63 ILE HA 1 67 LEU H . . 5.500 3.872 3.704 3.976 . 0 0 "[ . 1 . 2]" 1
419 1 63 ILE HB 1 64 ILE H . . 3.580 3.593 3.435 3.671 0.091 13 0 "[ . 1 . 2]" 1
420 1 63 ILE HB 1 66 ARG H . . 5.500 5.530 5.482 5.600 0.100 8 0 "[ . 1 . 2]" 1
421 1 63 ILE MD 1 64 ILE H . . 5.420 4.270 4.177 4.436 . 0 0 "[ . 1 . 2]" 1
422 1 63 ILE MD 1 65 LYS H . . 6.530 5.182 4.905 5.387 . 0 0 "[ . 1 . 2]" 1
423 1 63 ILE MD 1 66 ARG H . . 6.530 3.836 3.668 4.315 . 0 0 "[ . 1 . 2]" 1
424 1 63 ILE MD 1 66 ARG HB3 . . 5.500 3.072 2.604 3.803 . 0 0 "[ . 1 . 2]" 1
425 1 63 ILE MD 1 66 ARG HG3 . . 5.500 3.210 2.831 3.395 . 0 0 "[ . 1 . 2]" 1
426 1 63 ILE MG 1 64 ILE H . . 6.530 2.581 2.321 2.875 . 0 0 "[ . 1 . 2]" 1
427 1 63 ILE MG 1 67 LEU H . . 5.040 3.881 3.688 4.037 . 0 0 "[ . 1 . 2]" 1
428 1 64 ILE H 1 64 ILE HB . . 2.740 2.218 2.029 2.340 . 0 0 "[ . 1 . 2]" 1
429 1 64 ILE H 1 64 ILE MD . . 4.140 2.887 2.157 3.146 . 0 0 "[ . 1 . 2]" 1
430 1 64 ILE H 1 65 LYS H . . 2.710 2.693 2.636 2.748 0.038 4 0 "[ . 1 . 2]" 1
431 1 64 ILE HA 1 65 LYS H . . 3.610 3.617 3.586 3.629 0.019 4 0 "[ . 1 . 2]" 1
432 1 64 ILE HA 1 66 ARG H . . 5.310 4.269 4.180 4.406 . 0 0 "[ . 1 . 2]" 1
433 1 64 ILE HA 1 67 LEU H . . 3.450 3.225 3.153 3.294 . 0 0 "[ . 1 . 2]" 1
434 1 64 ILE HA 1 67 LEU HB3 . . 4.010 3.997 3.739 4.097 0.087 9 0 "[ . 1 . 2]" 1
435 1 64 ILE HA 1 67 LEU QD . . 7.480 2.947 1.834 3.749 . 0 0 "[ . 1 . 2]" 1
436 1 64 ILE HA 1 68 LEU H . . 4.940 3.953 3.706 4.262 . 0 0 "[ . 1 . 2]" 1
437 1 64 ILE HB 1 65 LYS H . . 4.040 2.725 2.614 3.095 . 0 0 "[ . 1 . 2]" 1
438 1 64 ILE MD 1 65 LYS H . . 5.290 4.280 4.174 4.388 . 0 0 "[ . 1 . 2]" 1
439 1 64 ILE MG 1 65 LYS H . . 4.670 3.055 2.463 3.366 . 0 0 "[ . 1 . 2]" 1
440 1 64 ILE MG 1 68 LEU HG . . 6.530 4.925 3.590 5.385 . 0 0 "[ . 1 . 2]" 1
441 1 65 LYS H 1 65 LYS HG3 . . 4.510 3.167 2.728 3.819 . 0 0 "[ . 1 . 2]" 1
442 1 65 LYS H 1 66 ARG H . . 2.820 2.602 2.545 2.659 . 0 0 "[ . 1 . 2]" 1
443 1 65 LYS H 1 67 LEU H . . 4.230 3.985 3.873 4.052 . 0 0 "[ . 1 . 2]" 1
444 1 65 LYS HA 1 66 ARG H . . 3.610 3.575 3.561 3.604 . 0 0 "[ . 1 . 2]" 1
445 1 65 LYS HA 1 67 LEU H . . 4.940 4.292 4.236 4.364 . 0 0 "[ . 1 . 2]" 1
446 1 65 LYS HA 1 68 LEU H . . 3.580 3.529 3.408 3.636 0.056 19 0 "[ . 1 . 2]" 1
447 1 65 LYS HA 1 68 LEU MD1 . . 5.500 3.835 1.961 4.562 . 0 0 "[ . 1 . 2]" 1
448 1 65 LYS HA 1 68 LEU QD . . 4.990 1.952 1.795 2.105 . 0 0 "[ . 1 . 2]" 1
449 1 65 LYS HA 1 68 LEU MD2 . . 5.500 2.172 1.797 3.084 . 0 0 "[ . 1 . 2]" 1
450 1 65 LYS HA 1 69 GLU H . . 4.690 4.534 4.270 4.792 0.102 4 0 "[ . 1 . 2]" 1
451 1 66 ARG H 1 66 ARG HB3 . . 3.520 3.523 3.469 3.550 0.030 14 0 "[ . 1 . 2]" 1
452 1 66 ARG H 1 66 ARG HD3 . . 5.500 4.661 4.360 5.084 . 0 0 "[ . 1 . 2]" 1
453 1 66 ARG H 1 66 ARG HG3 . . 4.200 3.312 2.786 3.787 . 0 0 "[ . 1 . 2]" 1
454 1 66 ARG H 1 67 LEU H . . 2.860 2.491 2.460 2.529 . 0 0 "[ . 1 . 2]" 1
455 1 66 ARG H 1 67 LEU QD . . 8.100 4.489 3.853 4.848 . 0 0 "[ . 1 . 2]" 1
456 1 66 ARG H 1 68 LEU QD . . 7.900 4.504 4.163 4.817 . 0 0 "[ . 1 . 2]" 1
457 1 66 ARG HA 1 67 LEU H . . 3.560 3.575 3.566 3.587 0.027 16 0 "[ . 1 . 2]" 1
458 1 66 ARG HA 1 69 GLU H . . 3.980 3.541 3.375 3.682 . 0 0 "[ . 1 . 2]" 1
459 1 66 ARG HA 1 70 GLU H . . 5.500 5.113 4.710 5.486 . 0 0 "[ . 1 . 2]" 1
460 1 66 ARG HB3 1 67 LEU H . . 3.760 3.694 3.551 3.780 0.020 14 0 "[ . 1 . 2]" 1
461 1 67 LEU H 1 67 LEU HA . . 2.930 2.817 2.790 2.844 . 0 0 "[ . 1 . 2]" 1
462 1 67 LEU H 1 67 LEU HB3 . . 3.450 3.491 3.458 3.513 0.063 4 0 "[ . 1 . 2]" 1
463 1 67 LEU H 1 67 LEU MD1 . . 5.040 3.827 3.098 4.179 . 0 0 "[ . 1 . 2]" 1
464 1 67 LEU H 1 67 LEU QD . . 4.660 2.975 2.298 3.322 . 0 0 "[ . 1 . 2]" 1
465 1 67 LEU H 1 67 LEU MD2 . . 5.040 3.269 2.309 3.901 . 0 0 "[ . 1 . 2]" 1
466 1 67 LEU H 1 67 LEU HG . . 3.420 2.765 2.526 3.034 . 0 0 "[ . 1 . 2]" 1
467 1 67 LEU H 1 68 LEU H . . 2.830 2.652 2.512 2.752 . 0 0 "[ . 1 . 2]" 1
468 1 67 LEU HA 1 68 LEU H . . 3.560 3.619 3.601 3.633 0.073 19 0 "[ . 1 . 2]" 1
469 1 67 LEU HA 1 69 GLU H . . 4.720 4.292 4.107 4.476 . 0 0 "[ . 1 . 2]" 1
470 1 67 LEU HA 1 70 GLU H . . 3.860 3.244 3.168 3.334 . 0 0 "[ . 1 . 2]" 1
471 1 67 LEU HA 1 71 SER H . . 4.660 4.087 3.914 4.224 . 0 0 "[ . 1 . 2]" 1
472 1 67 LEU HB3 1 68 LEU H . . 3.670 3.427 3.195 3.569 . 0 0 "[ . 1 . 2]" 1
473 1 67 LEU QD 1 68 LEU H . . 5.970 4.096 4.002 4.199 . 0 0 "[ . 1 . 2]" 1
474 1 67 LEU QD 1 70 GLU H . . 8.100 4.389 4.187 4.783 . 0 0 "[ . 1 . 2]" 1
475 1 67 LEU QD 1 71 SER H . . 7.420 4.577 4.430 4.734 . 0 0 "[ . 1 . 2]" 1
476 1 67 LEU QD 1 72 ASN H . . 8.100 6.033 5.969 6.061 . 0 0 "[ . 1 . 2]" 1
477 1 67 LEU QD 1 82 SER H . . 8.100 3.914 2.797 4.918 . 0 0 "[ . 1 . 2]" 1
478 1 67 LEU MD1 1 68 LEU H . . 6.400 4.668 4.294 4.943 . 0 0 "[ . 1 . 2]" 1
479 1 67 LEU MD1 1 70 GLU HB3 . . 8.640 6.310 5.574 6.815 . 0 0 "[ . 1 . 2]" 1
480 1 67 LEU MD2 1 68 LEU H . . 6.400 4.579 4.273 4.875 . 0 0 "[ . 1 . 2]" 1
481 1 67 LEU MD2 1 70 GLU HB3 . . 8.640 4.432 4.182 4.780 . 0 0 "[ . 1 . 2]" 1
482 1 68 LEU H 1 68 LEU HB3 . . 3.730 2.360 2.047 3.391 . 0 0 "[ . 1 . 2]" 1
483 1 68 LEU H 1 68 LEU HG . . 3.170 2.754 1.713 3.182 0.012 2 0 "[ . 1 . 2]" 1
484 1 68 LEU H 1 69 GLU H . . 2.880 2.893 2.752 2.966 0.086 4 0 "[ . 1 . 2]" 1
485 1 68 LEU HA 1 69 GLU H . . 3.560 3.613 3.591 3.629 0.069 3 0 "[ . 1 . 2]" 1
486 1 68 LEU HA 1 70 GLU H . . 4.630 3.758 3.710 3.814 . 0 0 "[ . 1 . 2]" 1
487 1 68 LEU HA 1 71 SER H . . 3.390 2.958 2.900 3.054 . 0 0 "[ . 1 . 2]" 1
488 1 68 LEU HA 1 72 ASN H . . 3.580 2.164 2.059 2.243 . 0 0 "[ . 1 . 2]" 1
489 1 68 LEU HA 1 72 ASN HB3 . . 5.500 4.226 3.998 4.332 . 0 0 "[ . 1 . 2]" 1
490 1 68 LEU HB3 1 69 GLU H . . 4.170 3.716 3.577 4.136 . 0 0 "[ . 1 . 2]" 1
491 1 68 LEU HB3 1 71 SER H . . 5.500 5.271 4.982 5.377 . 0 0 "[ . 1 . 2]" 1
492 1 68 LEU QD 1 69 GLU H . . 7.540 2.942 2.313 3.734 . 0 0 "[ . 1 . 2]" 1
493 1 68 LEU QD 1 70 GLU H . . 8.100 4.302 4.066 4.741 . 0 0 "[ . 1 . 2]" 1
494 1 68 LEU QD 1 71 SER H . . 6.550 4.552 4.491 4.798 . 0 0 "[ . 1 . 2]" 1
495 1 68 LEU QD 1 78 VAL H . . 6.110 4.160 3.761 4.516 . 0 0 "[ . 1 . 2]" 1
496 1 68 LEU HG 1 69 GLU H . . 3.420 2.261 1.926 3.345 . 0 0 "[ . 1 . 2]" 1
497 1 68 LEU HG 1 70 GLU H . . 5.340 4.642 4.442 5.248 . 0 0 "[ . 1 . 2]" 1
498 1 68 LEU HG 1 72 ASN H . . 5.500 5.148 4.888 5.645 0.145 4 0 "[ . 1 . 2]" 1
499 1 69 GLU H 1 69 GLU HB3 . . 3.580 3.542 3.534 3.551 . 0 0 "[ . 1 . 2]" 1
500 1 69 GLU H 1 69 GLU HG3 . . 3.270 2.750 2.369 3.230 . 0 0 "[ . 1 . 2]" 1
501 1 69 GLU H 1 70 GLU H . . 2.880 2.718 2.655 2.791 . 0 0 "[ . 1 . 2]" 1
502 1 69 GLU H 1 71 SER H . . 4.170 4.218 4.065 4.287 0.117 3 0 "[ . 1 . 2]" 1
503 1 69 GLU HA 1 70 GLU H . . 3.570 3.507 3.493 3.520 . 0 0 "[ . 1 . 2]" 1
504 1 69 GLU HA 1 72 ASN HB3 . . 4.010 3.674 3.361 3.879 . 0 0 "[ . 1 . 2]" 1
505 1 69 GLU HG3 1 70 GLU H . . 5.500 4.742 4.439 5.134 . 0 0 "[ . 1 . 2]" 1
506 1 70 GLU H 1 70 GLU HB3 . . 3.670 3.621 3.588 3.641 . 0 0 "[ . 1 . 2]" 1
507 1 70 GLU H 1 70 GLU HG3 . . 3.300 3.286 3.174 3.334 0.034 14 0 "[ . 1 . 2]" 1
508 1 70 GLU H 1 71 SER H . . 2.900 2.232 2.170 2.293 . 0 0 "[ . 1 . 2]" 1
509 1 70 GLU HA 1 71 SER H . . 3.530 3.598 3.572 3.604 0.074 12 0 "[ . 1 . 2]" 1
510 1 70 GLU HA 1 72 ASN H . . 5.500 5.530 5.469 5.582 0.082 13 0 "[ . 1 . 2]" 1
511 1 70 GLU HB3 1 71 SER H . . 4.760 3.803 3.681 3.897 . 0 0 "[ . 1 . 2]" 1
512 1 71 SER H 1 72 ASN H . . 2.710 2.610 2.516 2.676 . 0 0 "[ . 1 . 2]" 1
513 1 71 SER H 1 73 LYS H . . 4.290 3.513 3.459 3.576 . 0 0 "[ . 1 . 2]" 1
514 1 71 SER HA 1 72 ASN H . . 3.640 3.648 3.646 3.649 0.009 6 0 "[ . 1 . 2]" 1
515 1 71 SER HA 1 74 GLU H . . 4.800 3.273 3.106 3.465 . 0 0 "[ . 1 . 2]" 1
516 1 72 ASN H 1 72 ASN HB3 . . 3.270 3.180 3.070 3.284 0.014 13 0 "[ . 1 . 2]" 1
517 1 72 ASN H 1 73 LYS H . . 2.900 2.899 2.863 2.929 0.029 9 0 "[ . 1 . 2]" 1
518 1 72 ASN HB3 1 73 LYS H . . 3.520 2.996 2.783 3.160 . 0 0 "[ . 1 . 2]" 1
519 1 73 LYS H 1 73 LYS HA . . 2.830 2.783 2.745 2.835 0.005 5 0 "[ . 1 . 2]" 1
520 1 73 LYS H 1 73 LYS HG3 . . 5.000 3.895 3.632 4.262 . 0 0 "[ . 1 . 2]" 1
521 1 73 LYS H 1 74 GLU H . . 3.360 2.791 2.636 2.919 . 0 0 "[ . 1 . 2]" 1
522 1 73 LYS HA 1 74 GLU H . . 3.560 3.628 3.585 3.639 0.079 2 0 "[ . 1 . 2]" 1
523 1 74 GLU H 1 74 GLU HA . . 2.900 2.882 2.820 2.919 0.019 19 0 "[ . 1 . 2]" 1
524 1 74 GLU H 1 75 GLY H . . 2.650 2.463 2.215 2.609 . 0 0 "[ . 1 . 2]" 1
525 1 74 GLU H 1 75 GLY QA . . 5.110 4.152 3.839 4.419 . 0 0 "[ . 1 . 2]" 1
526 1 74 GLU HA 1 75 GLY H . . 3.450 3.249 3.142 3.570 0.120 5 0 "[ . 1 . 2]" 1
527 1 75 GLY H 1 75 GLY QA . . 2.610 2.359 2.271 2.371 . 0 0 "[ . 1 . 2]" 1
528 1 75 GLY H 1 76 ILE H . . 4.410 4.365 4.332 4.412 0.002 2 0 "[ . 1 . 2]" 1
529 1 75 GLY H 1 76 ILE HA . . 5.500 4.951 4.892 5.176 . 0 0 "[ . 1 . 2]" 1
530 1 76 ILE H 1 76 ILE HA . . 2.900 2.908 2.904 2.918 0.018 2 0 "[ . 1 . 2]" 1
531 1 76 ILE H 1 76 ILE HB . . 2.830 2.540 2.196 2.834 0.004 2 0 "[ . 1 . 2]" 1
532 1 76 ILE H 1 77 HIS H . . 4.760 4.587 4.572 4.602 . 0 0 "[ . 1 . 2]" 1
533 1 76 ILE HA 1 77 HIS H . . 3.140 2.430 2.325 2.481 . 0 0 "[ . 1 . 2]" 1
534 1 76 ILE HB 1 77 HIS H . . 3.950 3.958 3.903 4.014 0.064 10 0 "[ . 1 . 2]" 1
535 1 76 ILE MD 1 77 HIS H . . 3.680 2.295 1.921 2.827 . 0 0 "[ . 1 . 2]" 1
536 1 76 ILE MG 1 77 HIS H . . 6.000 3.021 1.876 3.869 . 0 0 "[ . 1 . 2]" 1
537 1 76 ILE MG 1 78 VAL H . . 6.530 4.355 4.112 4.637 . 0 0 "[ . 1 . 2]" 1
538 1 77 HIS H 1 77 HIS HA . . 2.710 2.724 2.666 2.782 0.072 15 0 "[ . 1 . 2]" 1
539 1 77 HIS H 1 77 HIS HB3 . . 3.330 2.948 2.292 3.311 . 0 0 "[ . 1 . 2]" 1
540 1 77 HIS H 1 78 VAL H . . 4.600 4.311 4.289 4.331 . 0 0 "[ . 1 . 2]" 1
541 1 77 HIS HA 1 78 VAL H . . 3.240 2.230 2.222 2.241 . 0 0 "[ . 1 . 2]" 1
542 1 77 HIS HB3 1 78 VAL H . . 4.970 4.317 4.099 4.617 . 0 0 "[ . 1 . 2]" 1
543 1 78 VAL H 1 78 VAL HB . . 2.650 2.599 2.549 2.745 0.095 13 0 "[ . 1 . 2]" 1
544 1 78 VAL H 1 78 VAL QG . . 4.140 3.023 2.746 3.122 . 0 0 "[ . 1 . 2]" 1
545 1 78 VAL H 1 79 ILE H . . 4.320 4.367 4.331 4.413 0.093 5 0 "[ . 1 . 2]" 1
546 1 78 VAL H 1 79 ILE MG . . 6.430 4.021 3.749 4.220 . 0 0 "[ . 1 . 2]" 1
547 1 78 VAL HA 1 79 ILE H . . 2.520 2.263 2.228 2.297 . 0 0 "[ . 1 . 2]" 1
548 1 78 VAL HA 1 79 ILE MG . . 6.340 3.571 3.168 4.004 . 0 0 "[ . 1 . 2]" 1
549 1 78 VAL HA 1 80 HIS H . . 4.690 4.274 4.040 4.411 . 0 0 "[ . 1 . 2]" 1
550 1 78 VAL QG 1 79 ILE H . . 6.130 2.347 2.081 2.703 . 0 0 "[ . 1 . 2]" 1
551 1 78 VAL QG 1 80 HIS H . . 5.340 1.886 1.728 2.139 . 0 0 "[ . 1 . 2]" 1
552 1 79 ILE H 1 79 ILE HB . . 3.730 3.726 3.653 3.782 0.052 11 0 "[ . 1 . 2]" 1
553 1 79 ILE H 1 79 ILE MD . . 4.820 3.848 3.299 4.001 . 0 0 "[ . 1 . 2]" 1
554 1 79 ILE H 1 79 ILE MG . . 4.540 2.840 2.322 3.212 . 0 0 "[ . 1 . 2]" 1
555 1 79 ILE H 1 80 HIS H . . 3.110 3.015 2.607 3.133 0.023 4 0 "[ . 1 . 2]" 1
556 1 79 ILE HA 1 80 HIS H . . 3.270 2.718 2.664 2.861 . 0 0 "[ . 1 . 2]" 1
557 1 79 ILE HB 1 80 HIS H . . 4.690 4.518 4.479 4.573 . 0 0 "[ . 1 . 2]" 1
558 1 79 ILE MG 1 80 HIS H . . 5.350 4.353 4.320 4.386 . 0 0 "[ . 1 . 2]" 1
559 1 80 HIS H 1 80 HIS HB3 . . 3.640 3.516 3.089 3.594 . 0 0 "[ . 1 . 2]" 1
560 1 80 HIS H 1 80 HIS HD2 . . 5.500 3.858 2.190 4.668 . 0 0 "[ . 1 . 2]" 1
561 1 80 HIS H 1 81 ASP H . . 4.850 4.588 4.579 4.617 . 0 0 "[ . 1 . 2]" 1
562 1 80 HIS H 1 84 THR MG . . 5.900 4.791 4.531 4.961 . 0 0 "[ . 1 . 2]" 1
563 1 80 HIS HA 1 81 ASP H . . 2.800 2.489 2.257 2.530 . 0 0 "[ . 1 . 2]" 1
564 1 80 HIS HA 1 84 THR MG . . 5.250 3.134 2.755 3.727 . 0 0 "[ . 1 . 2]" 1
565 1 80 HIS HB3 1 81 ASP H . . 3.950 2.544 2.372 3.814 . 0 0 "[ . 1 . 2]" 1
566 1 80 HIS HB3 1 84 THR MG . . 5.500 1.946 1.858 2.046 . 0 0 "[ . 1 . 2]" 1
567 1 80 HIS HB3 1 85 LEU H . . 5.500 4.044 3.777 5.090 . 0 0 "[ . 1 . 2]" 1
568 1 80 HIS HB3 1 85 LEU MD1 . . 7.130 2.129 1.866 2.991 . 0 0 "[ . 1 . 2]" 1
569 1 80 HIS HB3 1 85 LEU MD2 . . 7.130 4.282 3.780 5.504 . 0 0 "[ . 1 . 2]" 1
570 1 81 ASP H 1 81 ASP HB3 . . 3.580 3.563 3.223 3.674 0.094 20 0 "[ . 1 . 2]" 1
571 1 81 ASP H 1 82 SER H . . 4.720 4.513 4.468 4.594 . 0 0 "[ . 1 . 2]" 1
572 1 81 ASP H 1 83 ILE H . . 4.660 4.639 4.250 4.737 0.077 16 0 "[ . 1 . 2]" 1
573 1 81 ASP HA 1 82 SER H . . 3.210 2.575 2.508 2.662 . 0 0 "[ . 1 . 2]" 1
574 1 81 ASP HA 1 83 ILE H . . 5.500 4.262 4.121 4.383 . 0 0 "[ . 1 . 2]" 1
575 1 81 ASP HB3 1 82 SER H . . 3.730 2.569 2.157 3.567 . 0 0 "[ . 1 . 2]" 1
576 1 81 ASP HB3 1 83 ILE H . . 5.070 2.853 2.382 4.219 . 0 0 "[ . 1 . 2]" 1
577 1 82 SER H 1 82 SER HB3 . . 3.550 2.880 2.021 3.559 0.009 14 0 "[ . 1 . 2]" 1
578 1 82 SER H 1 83 ILE H . . 2.940 2.634 2.514 2.752 . 0 0 "[ . 1 . 2]" 1
579 1 82 SER HA 1 83 ILE H . . 3.550 3.554 3.524 3.588 0.038 2 0 "[ . 1 . 2]" 1
580 1 82 SER HA 1 85 LEU HB3 . . 4.540 3.663 3.193 3.967 . 0 0 "[ . 1 . 2]" 1
581 1 82 SER HA 1 85 LEU MD1 . . 5.750 3.592 3.230 3.876 . 0 0 "[ . 1 . 2]" 1
582 1 82 SER HA 1 85 LEU QD . . 5.340 2.337 1.964 2.781 . 0 0 "[ . 1 . 2]" 1
583 1 82 SER HA 1 85 LEU MD2 . . 5.750 2.376 1.974 2.850 . 0 0 "[ . 1 . 2]" 1
584 1 83 ILE H 1 83 ILE HA . . 2.830 2.837 2.794 2.857 0.027 5 0 "[ . 1 . 2]" 1
585 1 83 ILE H 1 83 ILE HB . . 2.680 2.534 2.437 2.608 . 0 0 "[ . 1 . 2]" 1
586 1 83 ILE H 1 83 ILE MD . . 5.100 3.601 3.437 3.695 . 0 0 "[ . 1 . 2]" 1
587 1 83 ILE H 1 83 ILE HG13 . . 3.330 1.967 1.924 2.099 . 0 0 "[ . 1 . 2]" 1
588 1 83 ILE H 1 83 ILE MG . . 4.540 3.722 3.705 3.732 . 0 0 "[ . 1 . 2]" 1
589 1 83 ILE H 1 84 THR H . . 2.880 2.512 2.426 2.697 . 0 0 "[ . 1 . 2]" 1
590 1 83 ILE H 1 85 LEU H . . 4.290 3.839 3.662 3.922 . 0 0 "[ . 1 . 2]" 1
591 1 83 ILE HA 1 83 ILE HG13 . . 3.800 3.275 3.071 3.451 . 0 0 "[ . 1 . 2]" 1
592 1 83 ILE HA 1 85 LEU H . . 4.410 4.369 4.262 4.448 0.038 2 0 "[ . 1 . 2]" 1
593 1 83 ILE HA 1 86 ALA MB . . 5.690 3.022 2.781 3.375 . 0 0 "[ . 1 . 2]" 1
594 1 83 ILE HB 1 84 THR H . . 2.960 2.798 2.619 2.918 . 0 0 "[ . 1 . 2]" 1
595 1 83 ILE MG 1 84 THR H . . 5.440 3.806 3.635 3.924 . 0 0 "[ . 1 . 2]" 1
596 1 83 ILE MG 1 86 ALA H . . 6.370 4.783 4.601 4.991 . 0 0 "[ . 1 . 2]" 1
597 1 84 THR H 1 84 THR HB . . 2.900 2.024 1.996 2.090 . 0 0 "[ . 1 . 2]" 1
598 1 84 THR H 1 85 LEU H . . 2.900 2.445 2.388 2.520 . 0 0 "[ . 1 . 2]" 1
599 1 84 THR H 1 86 ALA H . . 4.140 4.089 3.965 4.196 0.056 13 0 "[ . 1 . 2]" 1
600 1 84 THR HA 1 85 LEU H . . 3.630 3.564 3.540 3.585 . 0 0 "[ . 1 . 2]" 1
601 1 84 THR HA 1 86 ALA H . . 4.230 4.148 3.968 4.251 0.021 13 0 "[ . 1 . 2]" 1
602 1 84 THR HA 1 87 PHE H . . 3.760 3.125 3.015 3.236 . 0 0 "[ . 1 . 2]" 1
603 1 84 THR HA 1 87 PHE HB3 . . 3.950 3.107 2.938 3.364 . 0 0 "[ . 1 . 2]" 1
604 1 84 THR HB 1 85 LEU H . . 3.640 3.149 3.053 3.225 . 0 0 "[ . 1 . 2]" 1
605 1 84 THR MG 1 85 LEU H . . 6.090 3.058 2.901 3.382 . 0 0 "[ . 1 . 2]" 1
606 1 84 THR MG 1 88 LEU H . . 5.500 3.291 2.968 3.433 . 0 0 "[ . 1 . 2]" 1
607 1 84 THR MG 1 88 LEU QD . . 5.730 1.624 1.588 1.683 . 0 0 "[ . 1 . 2]" 1
608 1 84 THR MG 1 88 LEU HG . . 4.480 3.657 3.601 3.804 . 0 0 "[ . 1 . 2]" 1
609 1 85 LEU H 1 85 LEU HB3 . . 3.550 3.409 3.309 3.445 . 0 0 "[ . 1 . 2]" 1
610 1 85 LEU H 1 85 LEU MD1 . . 4.640 2.241 2.097 2.685 . 0 0 "[ . 1 . 2]" 1
611 1 85 LEU H 1 85 LEU MD2 . . 4.640 3.559 3.229 3.812 . 0 0 "[ . 1 . 2]" 1
612 1 85 LEU H 1 85 LEU HG . . 4.510 4.145 4.052 4.258 . 0 0 "[ . 1 . 2]" 1
613 1 85 LEU H 1 86 ALA H . . 2.950 2.690 2.662 2.751 . 0 0 "[ . 1 . 2]" 1
614 1 85 LEU H 1 86 ALA MB . . 6.530 4.235 4.158 4.313 . 0 0 "[ . 1 . 2]" 1
615 1 85 LEU H 1 98 VAL QG . . 8.090 4.776 4.239 5.011 . 0 0 "[ . 1 . 2]" 1
616 1 85 LEU HA 1 85 LEU MD1 . . 4.570 2.066 1.937 2.249 . 0 0 "[ . 1 . 2]" 1
617 1 85 LEU HA 1 85 LEU QD . . 4.080 2.056 1.931 2.233 . 0 0 "[ . 1 . 2]" 1
618 1 85 LEU HA 1 85 LEU MD2 . . 4.570 3.788 3.759 3.809 . 0 0 "[ . 1 . 2]" 1
619 1 85 LEU HA 1 86 ALA H . . 3.630 3.592 3.572 3.610 . 0 0 "[ . 1 . 2]" 1
620 1 85 LEU HA 1 87 PHE H . . 4.540 4.435 4.299 4.544 0.004 20 0 "[ . 1 . 2]" 1
621 1 85 LEU HA 1 88 LEU H . . 3.390 3.457 3.411 3.490 0.100 19 0 "[ . 1 . 2]" 1
622 1 85 LEU HA 1 88 LEU HB3 . . 4.070 3.778 3.497 4.100 0.030 13 0 "[ . 1 . 2]" 1
623 1 85 LEU HA 1 88 LEU MD1 . . 6.310 4.163 3.976 4.257 . 0 0 "[ . 1 . 2]" 1
624 1 85 LEU HA 1 88 LEU QD . . 5.470 3.169 2.949 3.406 . 0 0 "[ . 1 . 2]" 1
625 1 85 LEU HA 1 88 LEU MD2 . . 6.310 3.289 3.039 3.616 . 0 0 "[ . 1 . 2]" 1
626 1 85 LEU HA 1 89 ILE H . . 4.040 3.320 3.103 3.531 . 0 0 "[ . 1 . 2]" 1
627 1 85 LEU HA 1 89 ILE HA . . 5.500 5.402 5.279 5.514 0.014 13 0 "[ . 1 . 2]" 1
628 1 85 LEU HA 1 89 ILE MD . . 6.530 3.307 2.737 4.530 . 0 0 "[ . 1 . 2]" 1
629 1 85 LEU HA 1 89 ILE MG . . 6.530 5.481 5.352 5.534 . 0 0 "[ . 1 . 2]" 1
630 1 85 LEU HB3 1 86 ALA H . . 4.290 3.395 3.104 3.563 . 0 0 "[ . 1 . 2]" 1
631 1 85 LEU QD 1 86 ALA H . . 5.280 3.973 3.929 4.107 . 0 0 "[ . 1 . 2]" 1
632 1 85 LEU MD1 1 86 ALA H . . 5.750 4.270 4.213 4.507 . 0 0 "[ . 1 . 2]" 1
633 1 85 LEU MD2 1 86 ALA H . . 5.750 4.733 4.660 4.776 . 0 0 "[ . 1 . 2]" 1
634 1 86 ALA H 1 86 ALA HA . . 2.870 2.801 2.780 2.818 . 0 0 "[ . 1 . 2]" 1
635 1 86 ALA H 1 86 ALA MB . . 3.430 2.035 1.937 2.153 . 0 0 "[ . 1 . 2]" 1
636 1 86 ALA H 1 87 PHE H . . 2.830 2.667 2.588 2.758 . 0 0 "[ . 1 . 2]" 1
637 1 86 ALA H 1 88 LEU H . . 4.350 4.210 4.093 4.316 . 0 0 "[ . 1 . 2]" 1
638 1 86 ALA HA 1 87 PHE H . . 3.600 3.613 3.586 3.629 0.029 20 0 "[ . 1 . 2]" 1
639 1 86 ALA HA 1 89 ILE H . . 4.070 3.810 3.592 3.999 . 0 0 "[ . 1 . 2]" 1
640 1 86 ALA HA 1 89 ILE HB . . 3.490 2.825 2.523 3.067 . 0 0 "[ . 1 . 2]" 1
641 1 86 ALA HA 1 90 ARG H . . 5.220 3.618 3.462 3.783 . 0 0 "[ . 1 . 2]" 1
642 1 86 ALA HA 1 97 ILE MG . . 6.470 1.921 1.838 2.105 . 0 0 "[ . 1 . 2]" 1
643 1 86 ALA HA 1 98 VAL HB . . 5.500 5.406 5.105 5.537 0.037 13 0 "[ . 1 . 2]" 1
644 1 86 ALA HA 1 98 VAL QG . . 6.660 2.663 2.477 2.798 . 0 0 "[ . 1 . 2]" 1
645 1 86 ALA MB 1 87 PHE H . . 4.080 2.615 2.396 2.747 . 0 0 "[ . 1 . 2]" 1
646 1 86 ALA MB 1 97 ILE MD . . 7.560 4.369 4.050 4.854 . 0 0 "[ . 1 . 2]" 1
647 1 86 ALA MB 1 97 ILE MG . . 4.480 2.283 1.979 2.616 . 0 0 "[ . 1 . 2]" 1
648 1 86 ALA MB 1 98 VAL H . . 4.600 3.453 3.035 3.781 . 0 0 "[ . 1 . 2]" 1
649 1 86 ALA MB 1 98 VAL HB . . 6.530 5.243 5.070 5.346 . 0 0 "[ . 1 . 2]" 1
650 1 86 ALA MB 1 98 VAL MG1 . . 7.560 2.703 2.471 2.878 . 0 0 "[ . 1 . 2]" 1
651 1 86 ALA MB 1 98 VAL QG . . 6.240 2.665 2.447 2.821 . 0 0 "[ . 1 . 2]" 1
652 1 86 ALA MB 1 98 VAL MG2 . . 7.560 4.085 3.862 4.284 . 0 0 "[ . 1 . 2]" 1
653 1 87 PHE H 1 87 PHE HB3 . . 2.900 2.823 2.726 2.959 0.059 13 0 "[ . 1 . 2]" 1
654 1 87 PHE H 1 88 LEU H . . 2.800 2.638 2.612 2.661 . 0 0 "[ . 1 . 2]" 1
655 1 87 PHE HA 1 90 ARG H . . 4.630 3.472 3.294 3.583 . 0 0 "[ . 1 . 2]" 1
656 1 87 PHE HA 1 91 GLU H . . 4.630 4.553 4.370 4.653 0.023 7 0 "[ . 1 . 2]" 1
657 1 87 PHE HB3 1 88 LEU H . . 3.270 2.363 2.257 2.504 . 0 0 "[ . 1 . 2]" 1
658 1 87 PHE QD 1 88 LEU H . . 7.620 4.082 3.877 4.283 . 0 0 "[ . 1 . 2]" 1
659 1 88 LEU H 1 88 LEU HA . . 2.830 2.780 2.765 2.810 . 0 0 "[ . 1 . 2]" 1
660 1 88 LEU H 1 88 LEU HB3 . . 3.390 3.432 3.384 3.484 0.094 8 0 "[ . 1 . 2]" 1
661 1 88 LEU H 1 88 LEU MD1 . . 5.380 2.038 1.943 2.154 . 0 0 "[ . 1 . 2]" 1
662 1 88 LEU H 1 88 LEU QD . . 4.880 2.027 1.936 2.142 . 0 0 "[ . 1 . 2]" 1
663 1 88 LEU H 1 88 LEU MD2 . . 5.380 3.660 3.478 3.878 . 0 0 "[ . 1 . 2]" 1
664 1 88 LEU H 1 88 LEU HG . . 4.010 4.043 3.945 4.086 0.076 19 0 "[ . 1 . 2]" 1
665 1 88 LEU H 1 89 ILE H . . 2.920 2.742 2.596 2.840 . 0 0 "[ . 1 . 2]" 1
666 1 88 LEU H 1 90 ARG H . . 4.690 4.221 4.122 4.300 . 0 0 "[ . 1 . 2]" 1
667 1 88 LEU HA 1 91 GLU H . . 4.070 3.750 3.683 3.840 . 0 0 "[ . 1 . 2]" 1
668 1 88 LEU HA 1 91 GLU HB3 . . 4.720 4.728 4.556 4.797 0.077 14 0 "[ . 1 . 2]" 1
669 1 88 LEU HA 1 92 LYS H . . 5.500 4.991 4.709 5.209 . 0 0 "[ . 1 . 2]" 1
670 1 88 LEU HB3 1 89 ILE H . . 3.670 3.309 3.084 3.544 . 0 0 "[ . 1 . 2]" 1
671 1 89 ILE H 1 89 ILE HB . . 2.870 2.316 2.253 2.421 . 0 0 "[ . 1 . 2]" 1
672 1 89 ILE H 1 89 ILE MD . . 4.670 3.348 2.996 3.816 . 0 0 "[ . 1 . 2]" 1
673 1 89 ILE H 1 89 ILE MG . . 4.360 3.682 3.658 3.706 . 0 0 "[ . 1 . 2]" 1
674 1 89 ILE H 1 90 ARG H . . 2.950 2.677 2.531 2.758 . 0 0 "[ . 1 . 2]" 1
675 1 89 ILE H 1 91 GLU H . . 4.070 4.080 3.995 4.133 0.063 4 0 "[ . 1 . 2]" 1
676 1 89 ILE HA 1 92 LYS H . . 4.140 2.932 2.838 2.998 . 0 0 "[ . 1 . 2]" 1
677 1 89 ILE HB 1 90 ARG H . . 3.300 2.587 2.516 2.692 . 0 0 "[ . 1 . 2]" 1
678 1 89 ILE MD 1 90 ARG H . . 6.190 4.407 4.164 4.874 . 0 0 "[ . 1 . 2]" 1
679 1 89 ILE MG 1 90 ARG H . . 5.500 3.213 3.050 3.396 . 0 0 "[ . 1 . 2]" 1
680 1 89 ILE MG 1 92 LYS H . . 6.530 3.963 3.772 4.070 . 0 0 "[ . 1 . 2]" 1
681 1 89 ILE MG 1 93 ALA H . . 5.380 3.574 3.146 3.748 . 0 0 "[ . 1 . 2]" 1
682 1 89 ILE MG 1 93 ALA HA . . 5.780 4.450 4.234 4.730 . 0 0 "[ . 1 . 2]" 1
683 1 89 ILE MG 1 93 ALA MB . . 5.500 2.062 1.744 2.317 . 0 0 "[ . 1 . 2]" 1
684 1 90 ARG H 1 90 ARG HD3 . . 5.500 5.291 4.550 5.493 . 0 0 "[ . 1 . 2]" 1
685 1 90 ARG H 1 90 ARG HG3 . . 3.680 3.049 2.731 3.306 . 0 0 "[ . 1 . 2]" 1
686 1 90 ARG H 1 91 GLU H . . 2.980 2.957 2.910 2.979 . 0 0 "[ . 1 . 2]" 1
687 1 90 ARG H 1 97 ILE MG . . 4.660 2.650 2.365 3.317 . 0 0 "[ . 1 . 2]" 1
688 1 90 ARG H 1 98 VAL H . . 5.500 5.566 5.345 5.769 0.269 14 0 "[ . 1 . 2]" 1
689 1 90 ARG H 1 98 VAL QG . . 8.090 5.271 5.143 5.385 . 0 0 "[ . 1 . 2]" 1
690 1 90 ARG HA 1 91 GLU H . . 3.630 3.580 3.573 3.605 . 0 0 "[ . 1 . 2]" 1
691 1 90 ARG HA 1 92 LYS H . . 4.940 4.567 4.347 4.653 . 0 0 "[ . 1 . 2]" 1
692 1 90 ARG HA 1 93 ALA MB . . 5.290 3.779 3.443 4.085 . 0 0 "[ . 1 . 2]" 1
693 1 90 ARG HA 1 94 SER H . . 4.260 4.156 3.935 4.293 0.033 9 0 "[ . 1 . 2]" 1
694 1 90 ARG HA 1 97 ILE MD . . 4.320 3.199 2.042 3.412 . 0 0 "[ . 1 . 2]" 1
695 1 90 ARG HA 1 97 ILE MG . . 5.090 3.036 2.685 3.749 . 0 0 "[ . 1 . 2]" 1
696 1 90 ARG HD3 1 97 ILE HG13 . . 6.590 5.354 4.432 6.316 . 0 0 "[ . 1 . 2]" 1
697 1 90 ARG HG3 1 97 ILE MD . . 6.530 2.561 1.961 3.420 . 0 0 "[ . 1 . 2]" 1
698 1 90 ARG HG3 1 97 ILE MG . . 6.530 2.199 1.975 2.727 . 0 0 "[ . 1 . 2]" 1
699 1 91 GLU H 1 91 GLU HA . . 2.900 2.807 2.779 2.838 . 0 0 "[ . 1 . 2]" 1
700 1 91 GLU H 1 91 GLU HB3 . . 3.360 3.337 3.317 3.372 0.012 15 0 "[ . 1 . 2]" 1
701 1 91 GLU H 1 91 GLU HG3 . . 3.980 3.797 3.490 3.993 0.013 5 0 "[ . 1 . 2]" 1
702 1 91 GLU H 1 92 LYS H . . 2.970 2.592 2.476 2.673 . 0 0 "[ . 1 . 2]" 1
703 1 91 GLU H 1 93 ALA H . . 3.920 3.515 3.465 3.636 . 0 0 "[ . 1 . 2]" 1
704 1 91 GLU HA 1 93 ALA H . . 4.690 3.767 3.657 4.091 . 0 0 "[ . 1 . 2]" 1
705 1 91 GLU HB3 1 92 LYS H . . 3.420 3.115 3.008 3.354 . 0 0 "[ . 1 . 2]" 1
706 1 92 LYS H 1 92 LYS HB3 . . 3.670 2.726 2.152 3.590 . 0 0 "[ . 1 . 2]" 1
707 1 92 LYS H 1 92 LYS HG3 . . 4.380 3.419 2.014 4.386 0.006 16 0 "[ . 1 . 2]" 1
708 1 92 LYS H 1 93 ALA H . . 2.830 2.405 2.253 2.471 . 0 0 "[ . 1 . 2]" 1
709 1 92 LYS H 1 94 SER H . . 5.340 5.327 5.031 5.430 0.090 17 0 "[ . 1 . 2]" 1
710 1 92 LYS HA 1 93 ALA H . . 3.450 3.310 3.284 3.445 . 0 0 "[ . 1 . 2]" 1
711 1 92 LYS HA 1 94 SER H . . 5.500 5.197 4.878 5.401 . 0 0 "[ . 1 . 2]" 1
712 1 93 ALA H 1 94 SER H . . 3.020 3.069 3.020 3.144 0.124 16 0 "[ . 1 . 2]" 1
713 1 93 ALA HA 1 94 SER H . . 2.930 2.379 2.337 2.439 . 0 0 "[ . 1 . 2]" 1
714 1 93 ALA MB 1 96 ARG H . . 5.040 3.311 2.815 3.753 . 0 0 "[ . 1 . 2]" 1
715 1 93 ALA MB 1 97 ILE H . . 6.530 5.236 5.062 5.325 . 0 0 "[ . 1 . 2]" 1
716 1 93 ALA MB 1 97 ILE HG13 . . 5.500 3.698 3.333 4.230 . 0 0 "[ . 1 . 2]" 1
717 1 96 ARG H 1 96 ARG HB3 . . 3.670 3.450 2.534 3.702 0.032 6 0 "[ . 1 . 2]" 1
718 1 96 ARG H 1 96 ARG HD3 . . 5.500 4.724 4.441 4.857 . 0 0 "[ . 1 . 2]" 1
719 1 96 ARG H 1 96 ARG HG3 . . 2.800 2.560 2.087 2.815 0.015 3 0 "[ . 1 . 2]" 1
720 1 96 ARG H 1 97 ILE H . . 4.450 4.322 4.249 4.396 . 0 0 "[ . 1 . 2]" 1
721 1 96 ARG H 1 110 VAL QG . . 8.090 5.105 4.901 5.250 . 0 0 "[ . 1 . 2]" 1
722 1 96 ARG H 1 113 ASP HA . . 5.500 5.558 5.502 5.600 0.100 6 0 "[ . 1 . 2]" 1
723 1 96 ARG HA 1 97 ILE H . . 3.170 2.235 2.226 2.246 . 0 0 "[ . 1 . 2]" 1
724 1 97 ILE H 1 97 ILE HB . . 2.960 2.774 2.460 2.894 . 0 0 "[ . 1 . 2]" 1
725 1 97 ILE H 1 97 ILE MD . . 5.010 2.693 2.285 3.832 . 0 0 "[ . 1 . 2]" 1
726 1 97 ILE H 1 97 ILE HG13 . . 3.950 2.733 2.532 4.160 0.210 14 0 "[ . 1 . 2]" 1
727 1 97 ILE H 1 98 VAL H . . 4.660 4.471 4.442 4.501 . 0 0 "[ . 1 . 2]" 1
728 1 97 ILE HA 1 98 VAL H . . 3.020 2.538 2.422 2.567 . 0 0 "[ . 1 . 2]" 1
729 1 97 ILE HB 1 98 VAL H . . 4.200 3.285 3.161 3.697 . 0 0 "[ . 1 . 2]" 1
730 1 97 ILE HG13 1 98 VAL H . . 5.500 4.745 4.628 4.955 . 0 0 "[ . 1 . 2]" 1
731 1 97 ILE MG 1 98 VAL H . . 4.640 1.868 1.755 1.930 . 0 0 "[ . 1 . 2]" 1
732 1 98 VAL H 1 98 VAL HB . . 3.170 2.972 2.822 3.218 0.048 19 0 "[ . 1 . 2]" 1
733 1 98 VAL H 1 108 ILE MG . . 5.660 4.422 4.172 4.608 . 0 0 "[ . 1 . 2]" 1
734 1 98 VAL HA 1 108 ILE HB . . 4.940 4.003 3.501 4.403 . 0 0 "[ . 1 . 2]" 1
735 1 98 VAL HB 1 108 ILE MD . . 5.190 4.055 3.817 4.243 . 0 0 "[ . 1 . 2]" 1
736 1 98 VAL HB 1 108 ILE MG . . 6.190 2.504 1.991 2.885 . 0 0 "[ . 1 . 2]" 1
737 1 98 VAL HB 1 109 GLY H . . 5.500 5.490 5.261 5.549 0.049 13 0 "[ . 1 . 2]" 1
738 1 98 VAL QG 1 108 ILE MD . . 6.470 2.111 1.849 2.418 . 0 0 "[ . 1 . 2]" 1
739 1 98 VAL QG 1 108 ILE MG . . 5.690 2.514 1.983 2.847 . 0 0 "[ . 1 . 2]" 1
740 1 98 VAL MG1 1 108 ILE MD . . 7.560 4.217 3.872 4.649 . 0 0 "[ . 1 . 2]" 1
741 1 98 VAL MG1 1 108 ILE MG . . 6.410 3.884 3.483 4.101 . 0 0 "[ . 1 . 2]" 1
742 1 98 VAL MG2 1 108 ILE MD . . 7.560 2.117 1.852 2.426 . 0 0 "[ . 1 . 2]" 1
743 1 98 VAL MG2 1 108 ILE MG . . 6.410 2.550 1.990 2.908 . 0 0 "[ . 1 . 2]" 1
744 1 100 ARG HA 1 101 VAL H . . 3.450 2.251 2.225 2.453 . 0 0 "[ . 1 . 2]" 1
745 1 101 VAL H 1 101 VAL HA . . 2.900 2.937 2.927 2.941 0.041 15 0 "[ . 1 . 2]" 1
746 1 101 VAL H 1 101 VAL HB . . 2.960 3.033 2.973 3.112 0.152 3 0 "[ . 1 . 2]" 1
747 1 101 VAL H 1 101 VAL MG1 . . 4.670 1.986 1.892 2.205 . 0 0 "[ . 1 . 2]" 1
748 1 101 VAL H 1 101 VAL QG . . 4.080 1.979 1.886 2.193 . 0 0 "[ . 1 . 2]" 1
749 1 101 VAL H 1 101 VAL MG2 . . 4.670 3.787 3.710 3.911 . 0 0 "[ . 1 . 2]" 1
750 1 101 VAL H 1 102 VAL H . . 5.030 4.512 4.434 4.552 . 0 0 "[ . 1 . 2]" 1
751 1 101 VAL HA 1 102 VAL H . . 2.900 2.325 2.281 2.336 . 0 0 "[ . 1 . 2]" 1
752 1 101 VAL QG 1 102 VAL H . . 5.540 2.092 1.924 2.256 . 0 0 "[ . 1 . 2]" 1
753 1 101 VAL MG1 1 102 VAL H . . 6.530 3.867 3.674 4.009 . 0 0 "[ . 1 . 2]" 1
754 1 101 VAL MG2 1 102 VAL H . . 6.530 2.102 1.929 2.277 . 0 0 "[ . 1 . 2]" 1
755 1 102 VAL H 1 102 VAL HB . . 3.170 2.931 2.538 3.107 . 0 0 "[ . 1 . 2]" 1
756 1 102 VAL HA 1 103 LYS H . . 3.240 2.367 2.298 2.524 . 0 0 "[ . 1 . 2]" 1
757 1 102 VAL HA 1 104 SER H . . 4.380 4.109 3.978 4.320 . 0 0 "[ . 1 . 2]" 1
758 1 102 VAL QG 1 103 LYS H . . 5.260 3.462 3.358 3.694 . 0 0 "[ . 1 . 2]" 1
759 1 102 VAL QG 1 104 SER H . . 6.630 4.805 4.709 5.023 . 0 0 "[ . 1 . 2]" 1
760 1 102 VAL MG1 1 103 LYS H . . 5.850 4.139 3.910 4.231 . 0 0 "[ . 1 . 2]" 1
761 1 102 VAL MG1 1 103 LYS HB3 . . 8.090 5.186 4.846 6.176 . 0 0 "[ . 1 . 2]" 1
762 1 102 VAL MG2 1 103 LYS H . . 5.850 3.766 3.525 4.392 . 0 0 "[ . 1 . 2]" 1
763 1 102 VAL MG2 1 103 LYS HB3 . . 8.090 5.799 5.446 6.418 . 0 0 "[ . 1 . 2]" 1
764 1 103 LYS H 1 103 LYS HB3 . . 3.450 3.422 3.295 3.531 0.081 4 0 "[ . 1 . 2]" 1
765 1 103 LYS H 1 104 SER H . . 2.800 1.910 1.868 2.097 . 0 0 "[ . 1 . 2]" 1
766 1 103 LYS HB3 1 104 SER H . . 3.760 2.857 2.537 2.975 . 0 0 "[ . 1 . 2]" 1
767 1 104 SER H 1 104 SER HA . . 2.870 2.907 2.904 2.913 0.043 17 0 "[ . 1 . 2]" 1
768 1 104 SER H 1 105 ASP H . . 4.510 4.415 4.409 4.427 . 0 0 "[ . 1 . 2]" 1
769 1 104 SER HA 1 105 ASP H . . 2.710 2.655 2.650 2.661 . 0 0 "[ . 1 . 2]" 1
770 1 104 SER HB3 1 105 ASP H . . 5.500 2.920 2.137 3.807 . 0 0 "[ . 1 . 2]" 1
771 1 105 ASP H 1 105 ASP HB3 . . 3.080 2.780 2.243 3.105 0.025 16 0 "[ . 1 . 2]" 1
772 1 105 ASP H 1 106 PHE H . . 4.550 4.553 4.502 4.594 0.044 10 0 "[ . 1 . 2]" 1
773 1 105 ASP H 1 120 LEU HG . . 5.500 5.564 5.532 5.623 0.123 16 0 "[ . 1 . 2]" 1
774 1 105 ASP HA 1 106 PHE H . . 2.550 2.327 2.295 2.522 . 0 0 "[ . 1 . 2]" 1
775 1 106 PHE H 1 106 PHE HA . . 2.880 2.897 2.777 2.931 0.051 12 0 "[ . 1 . 2]" 1
776 1 106 PHE H 1 107 GLU H . . 4.520 4.328 4.080 4.456 . 0 0 "[ . 1 . 2]" 1
777 1 106 PHE HA 1 107 GLU H . . 2.550 2.356 2.231 2.584 0.034 11 0 "[ . 1 . 2]" 1
778 1 106 PHE HA 1 120 LEU HA . . 4.550 1.977 1.960 1.997 . 0 0 "[ . 1 . 2]" 1
779 1 106 PHE HB3 1 107 GLU H . . 4.420 3.388 2.649 3.758 . 0 0 "[ . 1 . 2]" 1
780 1 106 PHE QD 1 107 GLU H . . 7.620 2.495 1.977 3.560 . 0 0 "[ . 1 . 2]" 1
781 1 106 PHE QD 1 118 VAL QG . . 10.020 3.157 2.072 4.078 . 0 0 "[ . 1 . 2]" 1
782 1 106 PHE QD 1 119 ASP H . . 7.620 3.290 2.393 4.789 . 0 0 "[ . 1 . 2]" 1
783 1 106 PHE QE 1 108 ILE MD . . 8.650 5.550 3.891 6.318 . 0 0 "[ . 1 . 2]" 1
784 1 106 PHE QE 1 108 ILE MG . . 8.650 5.146 3.083 6.044 . 0 0 "[ . 1 . 2]" 1
785 1 106 PHE QE 1 118 VAL QG . . 9.960 2.536 1.793 3.555 . 0 0 "[ . 1 . 2]" 1
786 1 107 GLU H 1 107 GLU HG3 . . 4.660 2.995 2.623 3.877 . 0 0 "[ . 1 . 2]" 1
787 1 107 GLU H 1 108 ILE H . . 4.480 4.455 4.261 4.569 0.089 2 0 "[ . 1 . 2]" 1
788 1 107 GLU H 1 118 VAL HA . . 5.500 4.077 3.736 4.218 . 0 0 "[ . 1 . 2]" 1
789 1 107 GLU H 1 119 ASP H . . 5.000 2.323 2.071 2.587 . 0 0 "[ . 1 . 2]" 1
790 1 107 GLU H 1 120 LEU HA . . 5.300 3.290 2.821 3.900 . 0 0 "[ . 1 . 2]" 1
791 1 107 GLU HA 1 108 ILE H . . 2.400 2.322 2.285 2.379 . 0 0 "[ . 1 . 2]" 1
792 1 107 GLU HG3 1 108 ILE H . . 5.500 5.020 3.814 5.235 . 0 0 "[ . 1 . 2]" 1
793 1 108 ILE H 1 108 ILE HB . . 3.950 3.079 2.964 3.181 . 0 0 "[ . 1 . 2]" 1
794 1 108 ILE H 1 108 ILE MD . . 5.190 2.034 1.914 2.267 . 0 0 "[ . 1 . 2]" 1
795 1 108 ILE H 1 109 GLY H . . 4.380 4.342 4.231 4.388 0.008 2 0 "[ . 1 . 2]" 1
796 1 108 ILE H 1 117 ILE MD . . 6.530 4.560 3.770 5.300 . 0 0 "[ . 1 . 2]" 1
797 1 108 ILE HA 1 109 GLY H . . 2.560 2.265 2.221 2.300 . 0 0 "[ . 1 . 2]" 1
798 1 108 ILE HA 1 109 GLY QA . . 5.540 3.908 3.901 3.918 . 0 0 "[ . 1 . 2]" 1
799 1 108 ILE HA 1 118 VAL HA . . 3.860 2.601 2.445 2.803 . 0 0 "[ . 1 . 2]" 1
800 1 108 ILE HA 1 119 ASP H . . 5.060 4.325 4.238 4.508 . 0 0 "[ . 1 . 2]" 1
801 1 108 ILE HB 1 109 GLY H . . 4.010 3.726 3.623 3.834 . 0 0 "[ . 1 . 2]" 1
802 1 108 ILE MG 1 109 GLY H . . 4.920 2.394 2.141 2.573 . 0 0 "[ . 1 . 2]" 1
803 1 108 ILE MG 1 116 ILE HA . . 6.100 4.938 4.666 5.155 . 0 0 "[ . 1 . 2]" 1
804 1 108 ILE MG 1 116 ILE HB . . 6.100 3.404 2.988 4.126 . 0 0 "[ . 1 . 2]" 1
805 1 108 ILE MG 1 117 ILE H . . 6.190 3.618 3.472 3.769 . 0 0 "[ . 1 . 2]" 1
806 1 109 GLY H 1 110 VAL H . . 4.510 4.376 4.305 4.404 . 0 0 "[ . 1 . 2]" 1
807 1 109 GLY H 1 110 VAL HA . . 5.500 4.681 4.572 4.750 . 0 0 "[ . 1 . 2]" 1
808 1 109 GLY H 1 116 ILE MG . . 6.530 4.761 3.020 5.082 . 0 0 "[ . 1 . 2]" 1
809 1 109 GLY H 1 117 ILE H . . 3.760 2.421 2.265 2.687 . 0 0 "[ . 1 . 2]" 1
810 1 109 GLY H 1 117 ILE HA . . 5.160 4.648 4.542 4.782 . 0 0 "[ . 1 . 2]" 1
811 1 109 GLY H 1 117 ILE HB . . 4.990 4.584 4.382 4.778 . 0 0 "[ . 1 . 2]" 1
812 1 109 GLY H 1 117 ILE MD . . 4.830 3.000 2.306 3.713 . 0 0 "[ . 1 . 2]" 1
813 1 109 GLY H 1 117 ILE HG13 . . 5.500 2.401 2.063 2.847 . 0 0 "[ . 1 . 2]" 1
814 1 109 GLY H 1 117 ILE MG . . 5.560 4.736 4.685 4.792 . 0 0 "[ . 1 . 2]" 1
815 1 109 GLY H 1 118 VAL HA . . 5.460 4.063 3.997 4.201 . 0 0 "[ . 1 . 2]" 1
816 1 109 GLY QA 1 110 VAL H . . 2.740 2.293 2.234 2.331 . 0 0 "[ . 1 . 2]" 1
817 1 109 GLY QA 1 116 ILE MG . . 7.310 5.247 4.009 5.517 . 0 0 "[ . 1 . 2]" 1
818 1 109 GLY QA 1 117 ILE H . . 6.380 3.662 3.351 4.084 . 0 0 "[ . 1 . 2]" 1
819 1 109 GLY QA 1 117 ILE MD . . 6.340 2.069 1.930 2.417 . 0 0 "[ . 1 . 2]" 1
820 1 109 GLY HA2 1 110 VAL H . . 3.240 2.430 2.304 2.568 . 0 0 "[ . 1 . 2]" 1
821 1 109 GLY HA3 1 110 VAL H . . 3.240 2.835 2.673 3.008 . 0 0 "[ . 1 . 2]" 1
822 1 110 VAL H 1 110 VAL HB . . 3.270 2.797 2.622 2.919 . 0 0 "[ . 1 . 2]" 1
823 1 110 VAL H 1 111 THR H . . 4.510 4.391 4.352 4.443 . 0 0 "[ . 1 . 2]" 1
824 1 110 VAL HA 1 111 THR H . . 2.830 2.485 2.394 2.558 . 0 0 "[ . 1 . 2]" 1
825 1 110 VAL HA 1 111 THR MG . . 6.190 3.210 2.935 3.640 . 0 0 "[ . 1 . 2]" 1
826 1 110 VAL HA 1 116 ILE H . . 5.500 5.063 4.722 5.364 . 0 0 "[ . 1 . 2]" 1
827 1 110 VAL HA 1 117 ILE H . . 4.700 3.631 3.467 3.800 . 0 0 "[ . 1 . 2]" 1
828 1 110 VAL HB 1 111 THR H . . 4.200 4.088 3.993 4.201 0.001 18 0 "[ . 1 . 2]" 1
829 1 110 VAL QG 1 111 THR H . . 4.740 2.118 1.976 2.265 . 0 0 "[ . 1 . 2]" 1
830 1 110 VAL QG 1 111 THR MG . . 6.850 3.607 3.468 3.800 . 0 0 "[ . 1 . 2]" 1
831 1 110 VAL QG 1 112 ARG H . . 8.090 1.865 1.828 1.892 . 0 0 "[ . 1 . 2]" 1
832 1 110 VAL QG 1 112 ARG HA . . 6.030 3.345 3.262 3.483 . 0 0 "[ . 1 . 2]" 1
833 1 110 VAL QG 1 113 ASP H . . 8.090 2.467 2.393 2.526 . 0 0 "[ . 1 . 2]" 1
834 1 110 VAL QG 1 114 GLY H . . 4.960 3.609 3.485 3.680 . 0 0 "[ . 1 . 2]" 1
835 1 110 VAL QG 1 114 GLY QA . . 6.780 4.191 4.061 4.302 . 0 0 "[ . 1 . 2]" 1
836 1 110 VAL MG1 1 111 THR H . . 5.380 2.260 2.063 2.442 . 0 0 "[ . 1 . 2]" 1
837 1 110 VAL MG1 1 111 THR MG . . 7.560 3.995 3.863 4.179 . 0 0 "[ . 1 . 2]" 1
838 1 110 VAL MG1 1 112 ARG HA . . 6.530 3.392 3.310 3.534 . 0 0 "[ . 1 . 2]" 1
839 1 110 VAL MG1 1 112 ARG HG3 . . 9.060 3.981 3.940 4.069 . 0 0 "[ . 1 . 2]" 1
840 1 110 VAL MG1 1 114 GLY H . . 5.460 4.352 4.293 4.420 . 0 0 "[ . 1 . 2]" 1
841 1 110 VAL MG1 1 114 GLY HA2 . . 8.280 6.079 5.924 6.163 . 0 0 "[ . 1 . 2]" 1
842 1 110 VAL MG1 1 114 GLY HA3 . . 8.280 6.062 6.024 6.114 . 0 0 "[ . 1 . 2]" 1
843 1 110 VAL MG2 1 111 THR H . . 5.380 2.569 2.343 2.825 . 0 0 "[ . 1 . 2]" 1
844 1 110 VAL MG2 1 111 THR MG . . 7.560 4.112 3.907 4.401 . 0 0 "[ . 1 . 2]" 1
845 1 110 VAL MG2 1 112 ARG HA . . 6.530 5.091 4.923 5.256 . 0 0 "[ . 1 . 2]" 1
846 1 110 VAL MG2 1 112 ARG HG3 . . 9.060 4.410 4.330 4.509 . 0 0 "[ . 1 . 2]" 1
847 1 110 VAL MG2 1 114 GLY H . . 5.460 3.857 3.671 3.977 . 0 0 "[ . 1 . 2]" 1
848 1 110 VAL MG2 1 114 GLY HA2 . . 8.280 4.807 4.629 4.983 . 0 0 "[ . 1 . 2]" 1
849 1 110 VAL MG2 1 114 GLY HA3 . . 8.280 5.010 4.808 5.144 . 0 0 "[ . 1 . 2]" 1
850 1 111 THR H 1 111 THR HA . . 2.900 2.947 2.945 2.949 0.049 11 0 "[ . 1 . 2]" 1
851 1 111 THR H 1 111 THR HB . . 3.980 3.669 3.588 3.722 . 0 0 "[ . 1 . 2]" 1
852 1 111 THR H 1 111 THR MG . . 3.680 2.605 2.204 3.052 . 0 0 "[ . 1 . 2]" 1
853 1 111 THR H 1 112 ARG H . . 4.540 1.878 1.836 1.953 . 0 0 "[ . 1 . 2]" 1
854 1 111 THR H 1 114 GLY H . . 5.340 4.850 4.640 5.051 . 0 0 "[ . 1 . 2]" 1
855 1 111 THR H 1 115 GLU H . . 5.500 4.532 4.343 4.748 . 0 0 "[ . 1 . 2]" 1
856 1 111 THR HA 1 112 ARG H . . 3.480 3.515 3.482 3.539 0.059 10 0 "[ . 1 . 2]" 1
857 1 111 THR HA 1 113 ASP H . . 5.500 5.496 5.403 5.561 0.061 13 0 "[ . 1 . 2]" 1
858 1 111 THR HB 1 112 ARG H . . 5.500 4.078 3.849 4.303 . 0 0 "[ . 1 . 2]" 1
859 1 111 THR MG 1 112 ARG H . . 5.570 3.933 3.710 4.188 . 0 0 "[ . 1 . 2]" 1
860 1 111 THR MG 1 113 ASP H . . 6.530 5.253 5.034 5.478 . 0 0 "[ . 1 . 2]" 1
861 1 112 ARG H 1 112 ARG HB3 . . 3.980 3.898 3.866 3.938 . 0 0 "[ . 1 . 2]" 1
862 1 112 ARG H 1 113 ASP H . . 2.990 1.984 1.892 2.084 . 0 0 "[ . 1 . 2]" 1
863 1 112 ARG H 1 113 ASP HA . . 5.500 3.790 3.747 3.830 . 0 0 "[ . 1 . 2]" 1
864 1 112 ARG HA 1 114 GLY H . . 5.100 4.928 4.873 4.997 . 0 0 "[ . 1 . 2]" 1
865 1 112 ARG HB3 1 113 ASP H . . 3.960 4.025 3.926 4.103 0.143 11 0 "[ . 1 . 2]" 1
866 1 113 ASP H 1 113 ASP HA . . 2.870 2.625 2.601 2.662 . 0 0 "[ . 1 . 2]" 1
867 1 113 ASP H 1 113 ASP HB3 . . 4.110 3.537 3.250 3.961 . 0 0 "[ . 1 . 2]" 1
868 1 113 ASP H 1 114 GLY H . . 2.900 1.831 1.793 1.877 . 0 0 "[ . 1 . 2]" 1
869 1 113 ASP H 1 114 GLY QA . . 5.140 3.679 3.652 3.716 . 0 0 "[ . 1 . 2]" 1
870 1 113 ASP H 1 115 GLU H . . 4.450 3.510 3.255 3.666 . 0 0 "[ . 1 . 2]" 1
871 1 113 ASP HA 1 114 GLY H . . 3.580 3.520 3.502 3.542 . 0 0 "[ . 1 . 2]" 1
872 1 113 ASP HA 1 115 GLU H . . 5.500 5.445 5.304 5.553 0.053 20 0 "[ . 1 . 2]" 1
873 1 114 GLY H 1 114 GLY HA2 . . 2.960 2.872 2.859 2.891 . 0 0 "[ . 1 . 2]" 1
874 1 114 GLY H 1 114 GLY HA3 . . 2.960 2.269 2.261 2.282 . 0 0 "[ . 1 . 2]" 1
875 1 114 GLY H 1 115 GLU H . . 3.490 2.855 2.657 2.973 . 0 0 "[ . 1 . 2]" 1
876 1 115 GLU H 1 115 GLU HB3 . . 3.800 3.145 2.353 3.609 . 0 0 "[ . 1 . 2]" 1
877 1 115 GLU HA 1 116 ILE H . . 2.870 2.306 2.209 2.474 . 0 0 "[ . 1 . 2]" 1
878 1 115 GLU HB3 1 116 ILE H . . 3.930 3.534 2.521 3.996 0.066 2 0 "[ . 1 . 2]" 1
879 1 116 ILE H 1 116 ILE HB . . 3.800 3.764 3.059 3.872 0.072 4 0 "[ . 1 . 2]" 1
880 1 116 ILE H 1 116 ILE MD . . 5.130 3.221 1.780 4.072 . 0 0 "[ . 1 . 2]" 1
881 1 116 ILE H 1 117 ILE H . . 4.570 4.453 4.419 4.505 . 0 0 "[ . 1 . 2]" 1
882 1 116 ILE HA 1 116 ILE MD . . 4.610 3.490 2.542 3.776 . 0 0 "[ . 1 . 2]" 1
883 1 116 ILE HA 1 117 ILE H . . 2.560 2.490 2.403 2.561 0.001 13 0 "[ . 1 . 2]" 1
884 1 116 ILE HA 1 117 ILE MD . . 6.120 5.134 4.995 5.208 . 0 0 "[ . 1 . 2]" 1
885 1 116 ILE HA 1 117 ILE MG . . 6.530 3.674 3.413 3.861 . 0 0 "[ . 1 . 2]" 1
886 1 116 ILE HB 1 117 ILE H . . 3.640 2.594 2.426 3.134 . 0 0 "[ . 1 . 2]" 1
887 1 116 ILE HB 1 117 ILE MG . . 6.530 4.926 4.765 5.070 . 0 0 "[ . 1 . 2]" 1
888 1 116 ILE MG 1 117 ILE H . . 5.690 3.787 2.322 4.119 . 0 0 "[ . 1 . 2]" 1
889 1 116 ILE MG 1 117 ILE HA . . 6.530 5.403 4.445 5.508 . 0 0 "[ . 1 . 2]" 1
890 1 117 ILE H 1 117 ILE HB . . 3.720 3.758 3.716 3.784 0.064 14 0 "[ . 1 . 2]" 1
891 1 117 ILE H 1 117 ILE MD . . 5.130 3.538 3.159 3.924 . 0 0 "[ . 1 . 2]" 1
892 1 117 ILE H 1 117 ILE HG13 . . 4.570 2.064 1.916 2.534 . 0 0 "[ . 1 . 2]" 1
893 1 117 ILE H 1 117 ILE MG . . 4.640 3.218 3.077 3.354 . 0 0 "[ . 1 . 2]" 1
894 1 117 ILE H 1 118 VAL H . . 4.490 4.384 4.371 4.410 . 0 0 "[ . 1 . 2]" 1
895 1 117 ILE HA 1 118 VAL H . . 2.520 2.258 2.249 2.303 . 0 0 "[ . 1 . 2]" 1
896 1 117 ILE HB 1 118 VAL H . . 3.550 3.049 2.914 3.089 . 0 0 "[ . 1 . 2]" 1
897 1 117 ILE MG 1 118 VAL H . . 6.530 3.757 3.638 3.844 . 0 0 "[ . 1 . 2]" 1
898 1 118 VAL H 1 118 VAL HA . . 2.900 2.924 2.894 2.939 0.039 18 0 "[ . 1 . 2]" 1
899 1 118 VAL H 1 118 VAL HB . . 3.610 3.539 3.119 3.933 0.323 20 0 "[ . 1 . 2]" 1
900 1 118 VAL H 1 118 VAL MG1 . . 4.640 3.061 1.997 3.564 . 0 0 "[ . 1 . 2]" 1
901 1 118 VAL H 1 118 VAL QG . . 3.910 2.101 1.926 2.311 . 0 0 "[ . 1 . 2]" 1
902 1 118 VAL H 1 118 VAL MG2 . . 4.640 2.562 1.936 3.940 . 0 0 "[ . 1 . 2]" 1
903 1 118 VAL H 1 119 ASP H . . 4.440 4.428 4.374 4.481 0.041 18 0 "[ . 1 . 2]" 1
904 1 118 VAL HA 1 119 ASP H . . 2.600 2.371 2.358 2.399 . 0 0 "[ . 1 . 2]" 1
905 1 118 VAL HB 1 119 ASP H . . 3.880 3.100 2.702 4.017 0.137 17 0 "[ . 1 . 2]" 1
906 1 118 VAL QG 1 119 ASP H . . 4.150 2.880 1.896 3.333 . 0 0 "[ . 1 . 2]" 1
907 1 118 VAL MG1 1 119 ASP H . . 4.830 3.477 3.237 3.989 . 0 0 "[ . 1 . 2]" 1
908 1 118 VAL MG2 1 119 ASP H . . 4.830 3.468 1.903 4.097 . 0 0 "[ . 1 . 2]" 1
909 1 119 ASP H 1 119 ASP HB3 . . 3.240 3.261 3.196 3.332 0.092 20 0 "[ . 1 . 2]" 1
910 1 119 ASP H 1 120 LEU H . . 4.420 4.078 3.798 4.361 . 0 0 "[ . 1 . 2]" 1
911 1 119 ASP HA 1 120 LEU H . . 2.730 2.390 2.251 2.668 . 0 0 "[ . 1 . 2]" 1
912 1 120 LEU H 1 120 LEU HB3 . . 3.580 3.066 2.361 3.575 . 0 0 "[ . 1 . 2]" 1
913 1 120 LEU H 1 120 LEU MD1 . . 5.880 3.149 2.014 4.324 . 0 0 "[ . 1 . 2]" 1
914 1 120 LEU H 1 120 LEU HG . . 3.120 3.148 2.980 3.230 0.110 16 0 "[ . 1 . 2]" 1
915 1 120 LEU H 1 121 ASN H . . 3.390 2.943 2.071 3.444 0.054 2 0 "[ . 1 . 2]" 1
916 1 120 LEU HA 1 121 ASN H . . 3.240 2.902 2.686 3.286 0.046 10 0 "[ . 1 . 2]" 1
917 1 120 LEU HG 1 121 ASN H . . 5.500 4.355 3.500 4.870 . 0 0 "[ . 1 . 2]" 1
918 1 121 ASN H 1 121 ASN HA . . 2.400 2.171 2.166 2.196 . 0 0 "[ . 1 . 2]" 1
919 1 121 ASN H 1 121 ASN HB3 . . 3.860 3.441 3.088 3.471 . 0 0 "[ . 1 . 2]" 1
920 1 121 ASN H 1 122 SER H . . 4.170 4.002 2.977 4.234 0.064 5 0 "[ . 1 . 2]" 1
921 1 121 ASN HA 1 122 SER H . . 2.740 2.409 2.320 2.827 0.087 13 0 "[ . 1 . 2]" 1
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