NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575404 |
2m08   |
18801 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m08
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 1824
_Distance_constraint_stats_list.Viol_count 2593
_Distance_constraint_stats_list.Viol_total 1175.303
_Distance_constraint_stats_list.Viol_max 0.282
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0227
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASN 0.060 0.030 4 0 "[ . 1 . 2]"
1 5 LYS 1.414 0.089 9 0 "[ . 1 . 2]"
1 6 ILE 2.820 0.077 19 0 "[ . 1 . 2]"
1 7 LYS 1.446 0.075 14 0 "[ . 1 . 2]"
1 8 CYS 1.164 0.178 18 0 "[ . 1 . 2]"
1 9 SER 2.945 0.178 18 0 "[ . 1 . 2]"
1 10 HIS 0.923 0.069 6 0 "[ . 1 . 2]"
1 11 ILE 1.331 0.078 20 0 "[ . 1 . 2]"
1 12 LEU 1.254 0.040 18 0 "[ . 1 . 2]"
1 13 VAL 1.253 0.054 11 0 "[ . 1 . 2]"
1 14 SER 0.417 0.049 8 0 "[ . 1 . 2]"
1 15 LYS 0.528 0.052 10 0 "[ . 1 . 2]"
1 16 GLN 0.140 0.023 10 0 "[ . 1 . 2]"
1 17 SER 0.091 0.023 10 0 "[ . 1 . 2]"
1 18 GLU 0.367 0.026 4 0 "[ . 1 . 2]"
1 19 ALA 0.340 0.026 18 0 "[ . 1 . 2]"
1 20 LEU 0.633 0.076 5 0 "[ . 1 . 2]"
1 21 ALA 0.419 0.071 19 0 "[ . 1 . 2]"
1 22 ILE 0.783 0.076 5 0 "[ . 1 . 2]"
1 23 MET 0.278 0.056 14 0 "[ . 1 . 2]"
1 24 GLU 1.730 0.105 14 0 "[ . 1 . 2]"
1 25 LYS 1.295 0.105 14 0 "[ . 1 . 2]"
1 26 LEU 0.602 0.064 14 0 "[ . 1 . 2]"
1 27 LYS 0.167 0.040 19 0 "[ . 1 . 2]"
1 28 SER 0.019 0.007 20 0 "[ . 1 . 2]"
1 29 GLY 0.313 0.064 14 0 "[ . 1 . 2]"
1 30 GLU 1.744 0.282 10 0 "[ . 1 . 2]"
1 31 LYS 2.161 0.282 10 0 "[ . 1 . 2]"
1 32 PHE 1.380 0.073 20 0 "[ . 1 . 2]"
1 33 GLY 0.268 0.029 14 0 "[ . 1 . 2]"
1 34 LYS 0.575 0.158 20 0 "[ . 1 . 2]"
1 35 LEU 0.427 0.080 9 0 "[ . 1 . 2]"
1 36 ALA 0.761 0.078 20 0 "[ . 1 . 2]"
1 37 LYS 0.267 0.034 9 0 "[ . 1 . 2]"
1 38 GLU 1.464 0.214 8 0 "[ . 1 . 2]"
1 39 LEU 0.376 0.127 9 0 "[ . 1 . 2]"
1 40 SER 0.389 0.177 7 0 "[ . 1 . 2]"
1 41 ILE 1.006 0.078 8 0 "[ . 1 . 2]"
1 42 ASP 0.613 0.044 15 0 "[ . 1 . 2]"
1 43 SER 0.331 0.116 17 0 "[ . 1 . 2]"
1 44 GLY 0.369 0.116 17 0 "[ . 1 . 2]"
1 45 SER 0.395 0.137 17 0 "[ . 1 . 2]"
1 46 ALA 0.899 0.086 15 0 "[ . 1 . 2]"
1 47 LYS 0.036 0.028 15 0 "[ . 1 . 2]"
1 48 LYS 1.246 0.137 17 0 "[ . 1 . 2]"
1 49 ASN 0.933 0.066 17 0 "[ . 1 . 2]"
1 50 GLY 0.124 0.024 8 0 "[ . 1 . 2]"
1 51 ASN 0.734 0.072 1 0 "[ . 1 . 2]"
1 52 LEU 1.513 0.064 13 0 "[ . 1 . 2]"
1 53 GLY 1.032 0.058 7 0 "[ . 1 . 2]"
1 54 TYR 5.583 0.136 13 0 "[ . 1 . 2]"
1 55 PHE 3.770 0.124 19 0 "[ . 1 . 2]"
1 56 THR 2.022 0.087 3 0 "[ . 1 . 2]"
1 57 LYS 0.370 0.067 12 0 "[ . 1 . 2]"
1 58 GLY 0.069 0.043 12 0 "[ . 1 . 2]"
1 59 MET 0.882 0.040 9 0 "[ . 1 . 2]"
1 60 MET 0.771 0.041 9 0 "[ . 1 . 2]"
1 61 VAL 3.894 0.107 16 0 "[ . 1 . 2]"
1 62 LYS 0.470 0.040 14 0 "[ . 1 . 2]"
1 63 PRO 0.319 0.019 16 0 "[ . 1 . 2]"
1 64 PHE 6.698 0.107 16 0 "[ . 1 . 2]"
1 65 GLU 0.282 0.035 4 0 "[ . 1 . 2]"
1 66 ASP 0.966 0.072 19 0 "[ . 1 . 2]"
1 67 ALA 1.269 0.092 19 0 "[ . 1 . 2]"
1 68 ALA 0.916 0.063 12 0 "[ . 1 . 2]"
1 69 PHE 0.881 0.058 18 0 "[ . 1 . 2]"
1 70 LYS 2.009 0.092 19 0 "[ . 1 . 2]"
1 71 LEU 1.568 0.061 1 0 "[ . 1 . 2]"
1 72 GLN 2.997 0.199 19 0 "[ . 1 . 2]"
1 73 VAL 0.993 0.079 4 0 "[ . 1 . 2]"
1 74 GLY 0.499 0.056 19 0 "[ . 1 . 2]"
1 75 GLU 3.210 0.199 19 0 "[ . 1 . 2]"
1 76 VAL 1.566 0.058 3 0 "[ . 1 . 2]"
1 77 SER 0.873 0.060 19 0 "[ . 1 . 2]"
1 78 GLU 1.694 0.113 11 0 "[ . 1 . 2]"
1 79 PRO 2.845 0.113 11 0 "[ . 1 . 2]"
1 80 ILE 1.398 0.074 6 0 "[ . 1 . 2]"
1 81 LYS 0.676 0.034 5 0 "[ . 1 . 2]"
1 82 SER 0.692 0.028 9 0 "[ . 1 . 2]"
1 83 GLU 0.099 0.024 16 0 "[ . 1 . 2]"
1 84 PHE 0.635 0.025 4 0 "[ . 1 . 2]"
1 85 GLY 0.546 0.056 9 0 "[ . 1 . 2]"
1 86 TYR 2.577 0.077 5 0 "[ . 1 . 2]"
1 87 HIS 3.337 0.061 18 0 "[ . 1 . 2]"
1 88 ILE 0.487 0.030 9 0 "[ . 1 . 2]"
1 89 ILE 2.438 0.074 6 0 "[ . 1 . 2]"
1 90 LYS 3.278 0.148 19 0 "[ . 1 . 2]"
1 91 ARG 2.481 0.074 2 0 "[ . 1 . 2]"
1 92 PHE 2.860 0.086 1 0 "[ . 1 . 2]"
1 93 GLY 1.783 0.136 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 1 GLY QA 1 2 PRO QD . . 3.200 2.046 1.964 2.206 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY HA2 1 2 PRO QD . . 3.690 2.497 2.093 3.462 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY HA3 1 2 PRO QD . . 3.690 2.379 2.050 3.456 . 0 0 "[ . 1 . 2]" 1
4 1 4 ASN HA 1 4 ASN HD21 . . 4.220 2.909 2.038 3.858 . 0 0 "[ . 1 . 2]" 1
5 1 4 ASN HA 1 4 ASN QD . . 3.590 2.794 2.027 3.570 . 0 0 "[ . 1 . 2]" 1
6 1 4 ASN HA 1 4 ASN HD22 . . 4.220 3.850 3.428 4.210 . 0 0 "[ . 1 . 2]" 1
7 1 4 ASN HA 1 5 LYS H . . 3.540 3.318 2.138 3.570 0.030 4 0 "[ . 1 . 2]" 1
8 1 4 ASN QB 1 5 LYS H . . 3.350 2.718 2.119 3.329 . 0 0 "[ . 1 . 2]" 1
9 1 4 ASN QB 1 5 LYS HA . . 5.180 4.268 3.906 4.618 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASN QB 1 5 LYS QG . . 4.740 2.829 2.289 4.537 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASN QD 1 5 LYS H . . 4.940 4.456 3.156 4.917 . 0 0 "[ . 1 . 2]" 1
12 1 5 LYS H 1 5 LYS HB3 . . 3.910 3.570 3.477 3.768 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS H 1 5 LYS QG . . 3.060 2.221 2.032 2.732 . 0 0 "[ . 1 . 2]" 1
14 1 5 LYS H 1 6 ILE H . . 4.570 4.451 4.363 4.494 . 0 0 "[ . 1 . 2]" 1
15 1 5 LYS H 1 6 ILE HA . . 5.060 4.922 4.798 5.000 . 0 0 "[ . 1 . 2]" 1
16 1 5 LYS HA 1 5 LYS QG . . 3.790 3.252 3.210 3.349 . 0 0 "[ . 1 . 2]" 1
17 1 5 LYS HA 1 6 ILE H . . 2.480 2.377 2.350 2.390 . 0 0 "[ . 1 . 2]" 1
18 1 5 LYS HA 1 54 TYR QD . . 4.920 4.583 4.522 4.707 . 0 0 "[ . 1 . 2]" 1
19 1 5 LYS HA 1 54 TYR QE . . 5.500 5.468 5.418 5.522 0.022 7 0 "[ . 1 . 2]" 1
20 1 5 LYS HA 1 55 PHE QE . . 5.260 5.045 4.925 5.191 . 0 0 "[ . 1 . 2]" 1
21 1 5 LYS HA 1 56 THR HA . . 3.940 3.207 3.124 3.276 . 0 0 "[ . 1 . 2]" 1
22 1 5 LYS HA 1 56 THR HB . . 5.450 4.411 4.281 4.484 . 0 0 "[ . 1 . 2]" 1
23 1 5 LYS HA 1 56 THR MG . . 4.050 2.552 2.322 2.855 . 0 0 "[ . 1 . 2]" 1
24 1 5 LYS HB2 1 5 LYS HE2 . . 5.500 3.876 3.291 4.571 . 0 0 "[ . 1 . 2]" 1
25 1 5 LYS HB2 1 5 LYS QE . . 4.670 3.511 3.166 4.171 . 0 0 "[ . 1 . 2]" 1
26 1 5 LYS HB2 1 5 LYS HE3 . . 5.500 4.209 3.271 4.823 . 0 0 "[ . 1 . 2]" 1
27 1 5 LYS HB2 1 54 TYR HA . . 5.500 3.779 3.697 3.900 . 0 0 "[ . 1 . 2]" 1
28 1 5 LYS HB2 1 54 TYR HB2 . . 4.440 4.070 3.961 4.188 . 0 0 "[ . 1 . 2]" 1
29 1 5 LYS HB2 1 54 TYR QD . . 3.440 2.144 2.064 2.252 . 0 0 "[ . 1 . 2]" 1
30 1 5 LYS HB2 1 54 TYR QE . . 4.150 3.870 3.705 3.972 . 0 0 "[ . 1 . 2]" 1
31 1 5 LYS HB2 1 56 THR HA . . 5.500 5.106 4.968 5.248 . 0 0 "[ . 1 . 2]" 1
32 1 5 LYS HB3 1 6 ILE H . . 3.360 3.400 3.306 3.437 0.077 19 0 "[ . 1 . 2]" 1
33 1 5 LYS HB3 1 54 TYR QD . . 3.660 3.590 3.529 3.668 0.008 14 0 "[ . 1 . 2]" 1
34 1 5 LYS HB3 1 55 PHE H . . 3.970 3.836 3.773 3.967 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS HB3 1 56 THR H . . 4.840 4.789 4.696 4.853 0.013 19 0 "[ . 1 . 2]" 1
36 1 5 LYS HB3 1 56 THR HA . . 5.360 3.937 3.784 4.065 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS HB3 1 56 THR MG . . 3.940 1.901 1.878 1.943 . 0 0 "[ . 1 . 2]" 1
38 1 5 LYS QD 1 54 TYR QD . . 3.730 2.038 1.948 2.176 . 0 0 "[ . 1 . 2]" 1
39 1 5 LYS QD 1 54 TYR QE . . 4.290 3.476 2.049 3.882 . 0 0 "[ . 1 . 2]" 1
40 1 5 LYS HD2 1 54 TYR QE . . 5.100 4.005 2.405 4.406 . 0 0 "[ . 1 . 2]" 1
41 1 5 LYS HD3 1 54 TYR QE . . 5.100 4.011 2.067 5.016 . 0 0 "[ . 1 . 2]" 1
42 1 5 LYS QG 1 6 ILE H . . 4.750 4.243 4.159 4.492 . 0 0 "[ . 1 . 2]" 1
43 1 5 LYS QG 1 54 TYR HA . . 5.500 5.512 5.435 5.589 0.089 9 0 "[ . 1 . 2]" 1
44 1 5 LYS QG 1 54 TYR QD . . 3.660 2.268 2.163 2.620 . 0 0 "[ . 1 . 2]" 1
45 1 5 LYS QG 1 54 TYR QE . . 4.450 3.164 2.923 4.034 . 0 0 "[ . 1 . 2]" 1
46 1 6 ILE H 1 6 ILE MD . . 4.280 4.137 4.093 4.153 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE H 1 6 ILE HG12 . . 3.050 2.937 2.889 2.985 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE H 1 6 ILE HG13 . . 3.220 2.663 2.587 2.720 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE H 1 7 LYS HA . . 5.080 4.786 4.769 4.817 . 0 0 "[ . 1 . 2]" 1
50 1 6 ILE H 1 54 TYR HB2 . . 5.450 5.432 5.367 5.475 0.025 19 0 "[ . 1 . 2]" 1
51 1 6 ILE H 1 54 TYR HB3 . . 4.650 4.079 4.001 4.146 . 0 0 "[ . 1 . 2]" 1
52 1 6 ILE H 1 54 TYR QD . . 4.190 4.013 3.955 4.087 . 0 0 "[ . 1 . 2]" 1
53 1 6 ILE H 1 55 PHE H . . 3.180 2.411 2.346 2.458 . 0 0 "[ . 1 . 2]" 1
54 1 6 ILE H 1 55 PHE QD . . 3.430 2.846 2.756 2.924 . 0 0 "[ . 1 . 2]" 1
55 1 6 ILE H 1 55 PHE QE . . 4.220 3.853 3.780 3.951 . 0 0 "[ . 1 . 2]" 1
56 1 6 ILE H 1 56 THR H . . 5.500 5.519 5.474 5.552 0.052 19 0 "[ . 1 . 2]" 1
57 1 6 ILE H 1 56 THR HA . . 4.440 4.459 4.424 4.496 0.056 14 0 "[ . 1 . 2]" 1
58 1 6 ILE H 1 56 THR MG . . 4.600 4.083 3.945 4.175 . 0 0 "[ . 1 . 2]" 1
59 1 6 ILE HA 1 7 LYS H . . 2.630 2.289 2.260 2.310 . 0 0 "[ . 1 . 2]" 1
60 1 6 ILE HA 1 54 TYR QD . . 3.970 3.841 3.752 3.951 . 0 0 "[ . 1 . 2]" 1
61 1 6 ILE HA 1 54 TYR QE . . 3.690 3.307 3.235 3.393 . 0 0 "[ . 1 . 2]" 1
62 1 6 ILE HA 1 55 PHE H . . 4.810 4.637 4.562 4.698 . 0 0 "[ . 1 . 2]" 1
63 1 6 ILE HB 1 7 LYS H . . 2.780 2.666 2.610 2.751 . 0 0 "[ . 1 . 2]" 1
64 1 6 ILE MD 1 7 LYS H . . 4.240 4.105 4.063 4.170 . 0 0 "[ . 1 . 2]" 1
65 1 6 ILE MD 1 7 LYS HB2 . . 5.500 5.512 5.481 5.539 0.039 9 0 "[ . 1 . 2]" 1
66 1 6 ILE MD 1 8 CYS QB . . 5.340 3.138 2.913 3.509 . 0 0 "[ . 1 . 2]" 1
67 1 6 ILE MD 1 55 PHE QD . . 4.080 3.939 3.830 4.046 . 0 0 "[ . 1 . 2]" 1
68 1 6 ILE MD 1 55 PHE QE . . 3.050 2.179 2.041 2.278 . 0 0 "[ . 1 . 2]" 1
69 1 6 ILE MD 1 55 PHE HZ . . 3.920 3.502 3.390 3.635 . 0 0 "[ . 1 . 2]" 1
70 1 6 ILE MD 1 68 ALA HA . . 5.110 5.007 4.750 5.158 0.048 18 0 "[ . 1 . 2]" 1
71 1 6 ILE MD 1 68 ALA MB . . 4.210 4.077 3.941 4.244 0.034 12 0 "[ . 1 . 2]" 1
72 1 6 ILE MD 1 69 PHE H . . 4.230 4.228 4.162 4.276 0.046 20 0 "[ . 1 . 2]" 1
73 1 6 ILE MD 1 69 PHE HA . . 3.850 1.999 1.909 2.097 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE MD 1 69 PHE HB2 . . 4.920 2.835 2.335 3.004 . 0 0 "[ . 1 . 2]" 1
75 1 6 ILE MD 1 69 PHE HB3 . . 5.070 2.299 2.126 2.483 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE MD 1 69 PHE QD . . 4.020 3.903 3.780 4.032 0.012 18 0 "[ . 1 . 2]" 1
77 1 6 ILE MD 1 70 LYS H . . 4.820 4.763 4.628 4.847 0.027 4 0 "[ . 1 . 2]" 1
78 1 6 ILE MD 1 71 LEU H . . 4.710 4.505 4.265 4.719 0.009 19 0 "[ . 1 . 2]" 1
79 1 6 ILE MD 1 71 LEU MD1 . . 4.980 4.630 4.321 4.859 . 0 0 "[ . 1 . 2]" 1
80 1 6 ILE MD 1 89 ILE MG . . 4.950 4.471 4.366 4.585 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE MD 1 91 ARG HB2 . . 5.500 3.692 3.053 4.106 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE MD 1 91 ARG HB3 . . 5.500 4.909 4.385 5.167 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE MD 1 91 ARG HD2 . . 4.980 2.557 2.027 4.309 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE MD 1 91 ARG QD . . 4.280 2.462 2.016 3.539 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE MD 1 91 ARG HD3 . . 4.980 3.786 3.513 4.028 . 0 0 "[ . 1 . 2]" 1
86 1 6 ILE MD 1 91 ARG HG3 . . 5.160 3.121 2.530 3.619 . 0 0 "[ . 1 . 2]" 1
87 1 6 ILE HG12 1 55 PHE H . . 4.790 4.727 4.670 4.779 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE HG12 1 55 PHE QD . . 3.750 3.767 3.752 3.793 0.043 12 0 "[ . 1 . 2]" 1
89 1 6 ILE HG12 1 55 PHE QE . . 3.660 2.604 2.540 2.695 . 0 0 "[ . 1 . 2]" 1
90 1 6 ILE HG12 1 55 PHE HZ . . 4.800 4.501 4.459 4.580 . 0 0 "[ . 1 . 2]" 1
91 1 6 ILE HG12 1 69 PHE QD . . 4.830 4.478 4.186 4.771 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE HG13 1 7 LYS H . . 4.170 4.025 3.964 4.110 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE HG13 1 55 PHE H . . 4.640 3.743 3.644 3.840 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE HG13 1 55 PHE QD . . 3.930 2.672 2.575 2.748 . 0 0 "[ . 1 . 2]" 1
95 1 6 ILE HG13 1 55 PHE QE . . 3.690 2.051 1.997 2.086 . 0 0 "[ . 1 . 2]" 1
96 1 6 ILE HG13 1 69 PHE QD . . 5.500 5.223 4.928 5.455 . 0 0 "[ . 1 . 2]" 1
97 1 6 ILE MG 1 55 PHE QE . . 4.430 4.322 4.283 4.374 . 0 0 "[ . 1 . 2]" 1
98 1 6 ILE MG 1 69 PHE HA . . 5.500 4.806 4.695 4.925 . 0 0 "[ . 1 . 2]" 1
99 1 7 LYS H 1 7 LYS HB2 . . 3.040 2.093 2.075 2.113 . 0 0 "[ . 1 . 2]" 1
100 1 7 LYS H 1 7 LYS HB3 . . 3.340 3.208 3.168 3.250 . 0 0 "[ . 1 . 2]" 1
101 1 7 LYS H 1 7 LYS HG2 . . 4.300 4.242 4.158 4.317 0.017 9 0 "[ . 1 . 2]" 1
102 1 7 LYS H 1 7 LYS HG3 . . 3.820 3.753 3.672 3.834 0.014 19 0 "[ . 1 . 2]" 1
103 1 7 LYS H 1 8 CYS H . . 4.700 4.610 4.571 4.622 . 0 0 "[ . 1 . 2]" 1
104 1 7 LYS H 1 54 TYR QE . . 3.440 2.681 2.525 2.866 . 0 0 "[ . 1 . 2]" 1
105 1 7 LYS H 1 91 ARG QD . . 5.340 5.131 4.815 5.370 0.030 1 0 "[ . 1 . 2]" 1
106 1 7 LYS H 1 91 ARG HG3 . . 4.500 4.274 3.968 4.468 . 0 0 "[ . 1 . 2]" 1
107 1 7 LYS H 1 92 PHE H . . 4.640 4.482 4.258 4.682 0.042 11 0 "[ . 1 . 2]" 1
108 1 7 LYS H 1 92 PHE HB2 . . 5.390 5.284 5.185 5.393 0.003 2 0 "[ . 1 . 2]" 1
109 1 7 LYS H 1 93 GLY HA2 . . 4.400 3.902 2.634 4.424 0.024 20 0 "[ . 1 . 2]" 1
110 1 7 LYS H 1 93 GLY HA3 . . 4.400 3.632 3.256 4.422 0.022 14 0 "[ . 1 . 2]" 1
111 1 7 LYS HA 1 8 CYS H . . 2.910 2.235 2.180 2.259 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS HA 1 54 TYR HA . . 4.230 2.499 2.403 2.581 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS HA 1 54 TYR QD . . 3.950 2.310 2.225 2.404 . 0 0 "[ . 1 . 2]" 1
114 1 7 LYS HA 1 54 TYR QE . . 4.440 3.407 3.303 3.465 . 0 0 "[ . 1 . 2]" 1
115 1 7 LYS HA 1 55 PHE H . . 4.170 4.171 4.108 4.202 0.032 12 0 "[ . 1 . 2]" 1
116 1 7 LYS HA 1 55 PHE QD . . 5.080 4.611 4.553 4.666 . 0 0 "[ . 1 . 2]" 1
117 1 7 LYS HB2 1 8 CYS H . . 4.550 4.290 4.247 4.396 . 0 0 "[ . 1 . 2]" 1
118 1 7 LYS HB2 1 8 CYS HA . . 5.500 5.438 5.393 5.472 . 0 0 "[ . 1 . 2]" 1
119 1 7 LYS HB2 1 54 TYR QD . . 3.560 3.306 3.214 3.371 . 0 0 "[ . 1 . 2]" 1
120 1 7 LYS HB2 1 54 TYR QE . . 3.820 1.974 1.939 1.989 . 0 0 "[ . 1 . 2]" 1
121 1 7 LYS HB2 1 92 PHE H . . 4.060 3.889 3.765 3.999 . 0 0 "[ . 1 . 2]" 1
122 1 7 LYS HB2 1 92 PHE HB3 . . 5.390 4.413 4.089 4.732 . 0 0 "[ . 1 . 2]" 1
123 1 7 LYS HB2 1 93 GLY H . . 2.950 2.600 2.340 2.776 . 0 0 "[ . 1 . 2]" 1
124 1 7 LYS HB2 1 93 GLY HA2 . . 3.770 2.844 2.191 3.174 . 0 0 "[ . 1 . 2]" 1
125 1 7 LYS HB2 1 93 GLY QA . . 3.280 2.537 2.176 2.723 . 0 0 "[ . 1 . 2]" 1
126 1 7 LYS HB2 1 93 GLY HA3 . . 3.770 3.173 2.773 3.776 0.006 2 0 "[ . 1 . 2]" 1
127 1 7 LYS HB3 1 7 LYS QE . . 4.410 2.957 2.657 3.204 . 0 0 "[ . 1 . 2]" 1
128 1 7 LYS HB3 1 8 CYS H . . 4.150 3.288 3.184 3.454 . 0 0 "[ . 1 . 2]" 1
129 1 7 LYS HB3 1 54 TYR HA . . 5.500 5.319 5.213 5.401 . 0 0 "[ . 1 . 2]" 1
130 1 7 LYS HB3 1 54 TYR QD . . 4.360 4.150 4.038 4.227 . 0 0 "[ . 1 . 2]" 1
131 1 7 LYS HB3 1 54 TYR QE . . 3.800 3.586 3.557 3.601 . 0 0 "[ . 1 . 2]" 1
132 1 7 LYS HB3 1 92 PHE HB2 . . 5.040 2.133 2.034 2.235 . 0 0 "[ . 1 . 2]" 1
133 1 7 LYS HB3 1 93 GLY H . . 3.670 2.038 1.924 2.151 . 0 0 "[ . 1 . 2]" 1
134 1 7 LYS QD 1 8 CYS H . . 4.920 4.402 4.298 4.605 . 0 0 "[ . 1 . 2]" 1
135 1 7 LYS QD 1 54 TYR QD . . 4.570 3.933 3.870 4.028 . 0 0 "[ . 1 . 2]" 1
136 1 7 LYS QD 1 54 TYR QE . . 3.700 3.373 3.254 3.495 . 0 0 "[ . 1 . 2]" 1
137 1 7 LYS QD 1 92 PHE HB2 . . 4.160 2.338 2.071 2.624 . 0 0 "[ . 1 . 2]" 1
138 1 7 LYS QE 1 51 ASN HD21 . . 4.900 3.733 2.898 4.784 . 0 0 "[ . 1 . 2]" 1
139 1 7 LYS QE 1 51 ASN HD22 . . 4.650 2.366 1.879 3.541 . 0 0 "[ . 1 . 2]" 1
140 1 7 LYS QE 1 53 GLY H . . 4.260 3.891 3.485 4.249 . 0 0 "[ . 1 . 2]" 1
141 1 7 LYS QE 1 53 GLY HA2 . . 4.760 2.622 2.250 2.988 . 0 0 "[ . 1 . 2]" 1
142 1 7 LYS QE 1 92 PHE QD . . 4.350 3.049 2.319 3.670 . 0 0 "[ . 1 . 2]" 1
143 1 7 LYS QE 1 93 GLY H . . 4.720 4.510 4.306 4.652 . 0 0 "[ . 1 . 2]" 1
144 1 7 LYS HG2 1 8 CYS H . . 3.770 2.826 2.709 3.073 . 0 0 "[ . 1 . 2]" 1
145 1 7 LYS HG2 1 8 CYS HA . . 5.500 5.036 4.863 5.229 . 0 0 "[ . 1 . 2]" 1
146 1 7 LYS HG2 1 53 GLY H . . 4.620 4.304 4.244 4.425 . 0 0 "[ . 1 . 2]" 1
147 1 7 LYS HG2 1 54 TYR HA . . 4.920 4.021 3.802 4.239 . 0 0 "[ . 1 . 2]" 1
148 1 7 LYS HG2 1 54 TYR QD . . 4.880 2.588 2.390 2.806 . 0 0 "[ . 1 . 2]" 1
149 1 7 LYS HG2 1 54 TYR QE . . 4.650 3.488 3.403 3.536 . 0 0 "[ . 1 . 2]" 1
150 1 7 LYS HG2 1 92 PHE H . . 5.040 4.946 4.823 5.067 0.027 2 0 "[ . 1 . 2]" 1
151 1 7 LYS HG2 1 93 GLY H . . 4.840 4.644 4.503 4.780 . 0 0 "[ . 1 . 2]" 1
152 1 7 LYS HG3 1 54 TYR H . . 4.590 4.490 4.326 4.598 0.008 8 0 "[ . 1 . 2]" 1
153 1 7 LYS HG3 1 54 TYR QD . . 4.120 2.069 1.996 2.169 . 0 0 "[ . 1 . 2]" 1
154 1 7 LYS HG3 1 54 TYR QE . . 4.090 1.998 1.985 2.043 . 0 0 "[ . 1 . 2]" 1
155 1 7 LYS HG3 1 92 PHE H . . 5.500 5.529 5.498 5.575 0.075 14 0 "[ . 1 . 2]" 1
156 1 7 LYS HG3 1 93 GLY H . . 4.890 4.606 4.378 4.729 . 0 0 "[ . 1 . 2]" 1
157 1 8 CYS H 1 8 CYS HB2 . . 4.200 3.895 2.949 4.066 . 0 0 "[ . 1 . 2]" 1
158 1 8 CYS H 1 8 CYS QB . . 3.530 3.278 2.820 3.396 . 0 0 "[ . 1 . 2]" 1
159 1 8 CYS H 1 8 CYS HB3 . . 4.200 3.580 3.447 3.661 . 0 0 "[ . 1 . 2]" 1
160 1 8 CYS H 1 8 CYS HG . . 5.320 4.401 2.609 5.271 . 0 0 "[ . 1 . 2]" 1
161 1 8 CYS H 1 9 SER H . . 4.360 4.316 4.282 4.368 0.008 18 0 "[ . 1 . 2]" 1
162 1 8 CYS H 1 52 LEU MD1 . . 3.610 2.971 2.782 3.118 . 0 0 "[ . 1 . 2]" 1
163 1 8 CYS H 1 52 LEU MD2 . . 5.190 5.035 4.884 5.128 . 0 0 "[ . 1 . 2]" 1
164 1 8 CYS H 1 53 GLY H . . 4.160 3.621 3.496 3.964 . 0 0 "[ . 1 . 2]" 1
165 1 8 CYS H 1 54 TYR HA . . 4.150 4.009 3.801 4.108 . 0 0 "[ . 1 . 2]" 1
166 1 8 CYS H 1 54 TYR QD . . 4.330 4.247 4.136 4.296 . 0 0 "[ . 1 . 2]" 1
167 1 8 CYS H 1 91 ARG HG3 . . 5.500 5.438 5.291 5.516 0.016 17 0 "[ . 1 . 2]" 1
168 1 8 CYS HA 1 9 SER H . . 2.680 2.378 2.333 2.485 . 0 0 "[ . 1 . 2]" 1
169 1 8 CYS HA 1 52 LEU MD1 . . 5.500 4.544 4.356 4.663 . 0 0 "[ . 1 . 2]" 1
170 1 8 CYS HA 1 71 LEU MD1 . . 5.500 5.114 4.766 5.401 . 0 0 "[ . 1 . 2]" 1
171 1 8 CYS HA 1 89 ILE MG . . 4.740 3.971 3.876 4.053 . 0 0 "[ . 1 . 2]" 1
172 1 8 CYS HA 1 90 LYS H . . 4.870 4.151 4.085 4.227 . 0 0 "[ . 1 . 2]" 1
173 1 8 CYS HA 1 91 ARG HA . . 3.590 2.196 2.004 2.415 . 0 0 "[ . 1 . 2]" 1
174 1 8 CYS HA 1 91 ARG HB2 . . 5.360 4.562 4.236 4.920 . 0 0 "[ . 1 . 2]" 1
175 1 8 CYS HA 1 91 ARG HB3 . . 5.360 5.167 4.995 5.311 . 0 0 "[ . 1 . 2]" 1
176 1 8 CYS HA 1 91 ARG HG2 . . 5.500 5.202 4.835 5.428 . 0 0 "[ . 1 . 2]" 1
177 1 8 CYS HA 1 91 ARG HG3 . . 5.020 4.099 3.921 4.207 . 0 0 "[ . 1 . 2]" 1
178 1 8 CYS HA 1 92 PHE H . . 3.310 2.914 2.797 3.149 . 0 0 "[ . 1 . 2]" 1
179 1 8 CYS HA 1 92 PHE HB2 . . 5.210 3.569 3.230 3.957 . 0 0 "[ . 1 . 2]" 1
180 1 8 CYS HA 1 92 PHE QD . . 3.640 2.832 2.504 2.947 . 0 0 "[ . 1 . 2]" 1
181 1 8 CYS HA 1 93 GLY H . . 4.590 4.508 4.366 4.585 . 0 0 "[ . 1 . 2]" 1
182 1 8 CYS QB 1 9 SER H . . 2.910 2.514 2.431 2.635 . 0 0 "[ . 1 . 2]" 1
183 1 8 CYS QB 1 52 LEU MD2 . . 4.570 3.991 3.164 4.208 . 0 0 "[ . 1 . 2]" 1
184 1 8 CYS QB 1 55 PHE QD . . 4.810 4.194 3.203 4.480 . 0 0 "[ . 1 . 2]" 1
185 1 8 CYS QB 1 64 PHE HZ . . 5.340 4.887 4.226 5.082 . 0 0 "[ . 1 . 2]" 1
186 1 8 CYS QB 1 69 PHE HA . . 5.090 4.769 4.442 5.148 0.058 18 0 "[ . 1 . 2]" 1
187 1 8 CYS QB 1 71 LEU MD1 . . 5.340 3.861 3.326 4.479 . 0 0 "[ . 1 . 2]" 1
188 1 8 CYS QB 1 89 ILE MG . . 3.620 2.222 2.099 2.694 . 0 0 "[ . 1 . 2]" 1
189 1 8 CYS QB 1 90 LYS H . . 4.120 3.482 3.270 4.128 0.008 20 0 "[ . 1 . 2]" 1
190 1 8 CYS QB 1 91 ARG HA . . 4.450 2.702 2.417 3.722 . 0 0 "[ . 1 . 2]" 1
191 1 8 CYS QB 1 92 PHE QD . . 5.040 4.530 4.262 4.840 . 0 0 "[ . 1 . 2]" 1
192 1 8 CYS HB2 1 9 SER H . . 3.780 2.744 2.459 3.958 0.178 18 0 "[ . 1 . 2]" 1
193 1 8 CYS HB2 1 89 ILE MG . . 4.200 2.413 2.121 3.817 . 0 0 "[ . 1 . 2]" 1
194 1 8 CYS HB2 1 91 ARG HA . . 5.160 3.379 3.096 4.031 . 0 0 "[ . 1 . 2]" 1
195 1 8 CYS HB3 1 9 SER H . . 3.780 3.631 2.573 3.841 0.061 12 0 "[ . 1 . 2]" 1
196 1 8 CYS HB3 1 89 ILE MG . . 4.200 3.285 2.560 3.470 . 0 0 "[ . 1 . 2]" 1
197 1 8 CYS HB3 1 91 ARG HA . . 5.160 2.888 2.502 4.390 . 0 0 "[ . 1 . 2]" 1
198 1 8 CYS HG 1 9 SER H . . 4.670 4.047 2.623 4.725 0.055 1 0 "[ . 1 . 2]" 1
199 1 8 CYS HG 1 9 SER HA . . 5.500 4.797 4.271 5.515 0.015 20 0 "[ . 1 . 2]" 1
200 1 9 SER H 1 9 SER HB2 . . 3.900 2.865 2.669 3.860 . 0 0 "[ . 1 . 2]" 1
201 1 9 SER H 1 9 SER QB . . 3.110 2.699 2.616 3.008 . 0 0 "[ . 1 . 2]" 1
202 1 9 SER H 1 9 SER HB3 . . 3.900 3.693 3.107 3.844 . 0 0 "[ . 1 . 2]" 1
203 1 9 SER H 1 10 HIS H . . 4.510 4.341 4.311 4.362 . 0 0 "[ . 1 . 2]" 1
204 1 9 SER H 1 52 LEU MD2 . . 4.660 4.476 4.127 4.601 . 0 0 "[ . 1 . 2]" 1
205 1 9 SER H 1 89 ILE HA . . 4.170 3.816 3.575 3.952 . 0 0 "[ . 1 . 2]" 1
206 1 9 SER H 1 89 ILE MG . . 3.690 2.880 2.528 3.020 . 0 0 "[ . 1 . 2]" 1
207 1 9 SER H 1 90 LYS H . . 3.430 2.216 2.130 2.270 . 0 0 "[ . 1 . 2]" 1
208 1 9 SER H 1 90 LYS HB3 . . 4.120 3.499 3.375 3.801 . 0 0 "[ . 1 . 2]" 1
209 1 9 SER H 1 91 ARG HA . . 4.000 3.846 3.725 4.007 0.007 14 0 "[ . 1 . 2]" 1
210 1 9 SER H 1 92 PHE QD . . 3.580 3.588 3.498 3.665 0.085 11 0 "[ . 1 . 2]" 1
211 1 9 SER H 1 92 PHE QE . . 3.960 3.887 3.395 4.002 0.042 6 0 "[ . 1 . 2]" 1
212 1 9 SER HA 1 10 HIS H . . 2.940 2.737 2.708 2.760 . 0 0 "[ . 1 . 2]" 1
213 1 9 SER HA 1 10 HIS HD2 . . 4.070 2.694 2.508 2.911 . 0 0 "[ . 1 . 2]" 1
214 1 9 SER HA 1 32 PHE QE . . 4.770 4.516 4.470 4.645 . 0 0 "[ . 1 . 2]" 1
215 1 9 SER HA 1 50 GLY HA3 . . 5.440 4.881 4.704 5.102 . 0 0 "[ . 1 . 2]" 1
216 1 9 SER HA 1 51 ASN H . . 5.150 4.949 4.885 5.073 . 0 0 "[ . 1 . 2]" 1
217 1 9 SER HA 1 51 ASN HA . . 3.620 2.552 2.494 2.632 . 0 0 "[ . 1 . 2]" 1
218 1 9 SER HA 1 51 ASN HB2 . . 5.500 4.968 4.665 5.257 . 0 0 "[ . 1 . 2]" 1
219 1 9 SER HA 1 51 ASN HB3 . . 5.500 5.529 5.512 5.572 0.072 1 0 "[ . 1 . 2]" 1
220 1 9 SER HA 1 52 LEU H . . 3.110 2.489 2.373 2.583 . 0 0 "[ . 1 . 2]" 1
221 1 9 SER HA 1 52 LEU HA . . 5.500 5.301 5.195 5.369 . 0 0 "[ . 1 . 2]" 1
222 1 9 SER HA 1 52 LEU HB2 . . 5.440 5.453 5.322 5.504 0.064 13 0 "[ . 1 . 2]" 1
223 1 9 SER HA 1 52 LEU HB3 . . 5.500 4.573 4.428 4.692 . 0 0 "[ . 1 . 2]" 1
224 1 9 SER HA 1 52 LEU MD1 . . 5.500 3.935 3.798 4.050 . 0 0 "[ . 1 . 2]" 1
225 1 9 SER HA 1 52 LEU MD2 . . 4.580 3.295 3.173 3.365 . 0 0 "[ . 1 . 2]" 1
226 1 9 SER HA 1 52 LEU HG . . 4.350 2.621 2.468 2.692 . 0 0 "[ . 1 . 2]" 1
227 1 9 SER HA 1 53 GLY H . . 4.440 3.847 3.702 4.281 . 0 0 "[ . 1 . 2]" 1
228 1 9 SER HA 1 89 ILE MG . . 5.350 4.564 4.445 4.660 . 0 0 "[ . 1 . 2]" 1
229 1 9 SER HA 1 90 LYS H . . 5.320 4.440 4.375 4.495 . 0 0 "[ . 1 . 2]" 1
230 1 9 SER QB 1 10 HIS H . . 3.000 1.903 1.859 1.918 . 0 0 "[ . 1 . 2]" 1
231 1 9 SER QB 1 32 PHE QE . . 3.200 2.196 2.127 2.404 . 0 0 "[ . 1 . 2]" 1
232 1 9 SER QB 1 32 PHE HZ . . 4.730 2.841 2.658 3.482 . 0 0 "[ . 1 . 2]" 1
233 1 9 SER QB 1 50 GLY HA3 . . 4.430 3.581 3.395 3.826 . 0 0 "[ . 1 . 2]" 1
234 1 9 SER QB 1 51 ASN H . . 4.640 4.396 4.195 4.553 . 0 0 "[ . 1 . 2]" 1
235 1 9 SER QB 1 52 LEU H . . 4.330 4.003 3.775 4.105 . 0 0 "[ . 1 . 2]" 1
236 1 9 SER QB 1 52 LEU MD2 . . 5.260 4.649 4.553 4.703 . 0 0 "[ . 1 . 2]" 1
237 1 9 SER QB 1 90 LYS H . . 4.150 3.123 2.829 4.067 . 0 0 "[ . 1 . 2]" 1
238 1 9 SER QB 1 92 PHE QE . . 3.220 2.863 2.073 3.228 0.008 13 0 "[ . 1 . 2]" 1
239 1 9 SER HB2 1 10 HIS H . . 3.460 2.709 1.867 2.971 . 0 0 "[ . 1 . 2]" 1
240 1 9 SER HB2 1 10 HIS HA . . 5.500 4.223 4.185 4.381 . 0 0 "[ . 1 . 2]" 1
241 1 9 SER HB2 1 32 PHE QE . . 3.810 2.840 2.173 3.084 . 0 0 "[ . 1 . 2]" 1
242 1 9 SER HB2 1 90 LYS H . . 4.860 3.233 2.866 4.509 . 0 0 "[ . 1 . 2]" 1
243 1 9 SER HB3 1 10 HIS H . . 3.460 2.164 1.898 3.483 0.023 20 0 "[ . 1 . 2]" 1
244 1 9 SER HB3 1 10 HIS HA . . 5.500 4.561 4.298 5.569 0.069 6 0 "[ . 1 . 2]" 1
245 1 9 SER HB3 1 32 PHE QE . . 3.810 2.472 2.174 3.834 0.024 20 0 "[ . 1 . 2]" 1
246 1 9 SER HB3 1 90 LYS H . . 4.860 4.492 4.076 4.627 . 0 0 "[ . 1 . 2]" 1
247 1 10 HIS H 1 10 HIS HB2 . . 4.180 4.030 4.011 4.051 . 0 0 "[ . 1 . 2]" 1
248 1 10 HIS H 1 10 HIS HB3 . . 4.010 3.524 3.469 3.577 . 0 0 "[ . 1 . 2]" 1
249 1 10 HIS H 1 10 HIS HD2 . . 2.990 2.842 2.699 2.955 . 0 0 "[ . 1 . 2]" 1
250 1 10 HIS H 1 11 ILE H . . 4.810 4.234 4.193 4.265 . 0 0 "[ . 1 . 2]" 1
251 1 10 HIS H 1 32 PHE QD . . 4.950 4.793 4.714 4.922 . 0 0 "[ . 1 . 2]" 1
252 1 10 HIS H 1 32 PHE QE . . 3.880 2.699 2.672 2.790 . 0 0 "[ . 1 . 2]" 1
253 1 10 HIS H 1 32 PHE HZ . . 4.320 3.020 2.843 3.216 . 0 0 "[ . 1 . 2]" 1
254 1 10 HIS H 1 36 ALA MB . . 4.330 4.115 4.026 4.218 . 0 0 "[ . 1 . 2]" 1
255 1 10 HIS H 1 50 GLY HA3 . . 3.630 3.017 2.804 3.185 . 0 0 "[ . 1 . 2]" 1
256 1 10 HIS H 1 52 LEU H . . 4.480 4.204 4.068 4.393 . 0 0 "[ . 1 . 2]" 1
257 1 10 HIS H 1 52 LEU MD2 . . 4.270 4.223 4.098 4.282 0.012 16 0 "[ . 1 . 2]" 1
258 1 10 HIS H 1 52 LEU HG . . 4.770 4.740 4.628 4.815 0.045 1 0 "[ . 1 . 2]" 1
259 1 10 HIS H 1 89 ILE HA . . 4.440 4.408 4.265 4.496 0.056 6 0 "[ . 1 . 2]" 1
260 1 10 HIS H 1 90 LYS H . . 5.110 4.545 4.364 4.691 . 0 0 "[ . 1 . 2]" 1
261 1 10 HIS HA 1 10 HIS HD2 . . 4.430 4.297 4.210 4.361 . 0 0 "[ . 1 . 2]" 1
262 1 10 HIS HA 1 11 ILE H . . 3.090 2.248 2.224 2.272 . 0 0 "[ . 1 . 2]" 1
263 1 10 HIS HA 1 11 ILE MD . . 5.150 4.873 4.841 5.015 . 0 0 "[ . 1 . 2]" 1
264 1 10 HIS HA 1 11 ILE HG13 . . 5.000 3.727 3.677 3.925 . 0 0 "[ . 1 . 2]" 1
265 1 10 HIS HA 1 32 PHE HZ . . 3.380 3.060 2.981 3.179 . 0 0 "[ . 1 . 2]" 1
266 1 10 HIS HA 1 52 LEU MD2 . . 4.610 4.542 4.452 4.609 . 0 0 "[ . 1 . 2]" 1
267 1 10 HIS HA 1 64 PHE QE . . 3.790 3.436 3.358 3.501 . 0 0 "[ . 1 . 2]" 1
268 1 10 HIS HA 1 87 HIS HB3 . . 5.290 4.906 4.736 5.019 . 0 0 "[ . 1 . 2]" 1
269 1 10 HIS HA 1 88 ILE H . . 4.580 3.585 3.486 3.678 . 0 0 "[ . 1 . 2]" 1
270 1 10 HIS HA 1 88 ILE HB . . 5.390 4.104 4.004 4.168 . 0 0 "[ . 1 . 2]" 1
271 1 10 HIS HA 1 88 ILE MG . . 4.780 4.418 4.334 4.490 . 0 0 "[ . 1 . 2]" 1
272 1 10 HIS HA 1 89 ILE HA . . 3.520 2.526 2.448 2.573 . 0 0 "[ . 1 . 2]" 1
273 1 10 HIS HA 1 89 ILE HB . . 5.500 5.310 5.250 5.361 . 0 0 "[ . 1 . 2]" 1
274 1 10 HIS HA 1 89 ILE MD . . 5.260 4.789 4.719 4.856 . 0 0 "[ . 1 . 2]" 1
275 1 10 HIS HA 1 89 ILE HG12 . . 4.920 4.722 4.633 4.869 . 0 0 "[ . 1 . 2]" 1
276 1 10 HIS HA 1 89 ILE HG13 . . 4.900 3.410 3.322 3.466 . 0 0 "[ . 1 . 2]" 1
277 1 10 HIS HA 1 89 ILE MG . . 4.160 4.044 3.965 4.118 . 0 0 "[ . 1 . 2]" 1
278 1 10 HIS HA 1 90 LYS H . . 3.990 3.951 3.870 4.022 0.032 11 0 "[ . 1 . 2]" 1
279 1 10 HIS HA 1 90 LYS HB3 . . 5.500 5.503 5.458 5.547 0.047 20 0 "[ . 1 . 2]" 1
280 1 10 HIS HB2 1 11 ILE H . . 3.450 2.855 2.778 2.935 . 0 0 "[ . 1 . 2]" 1
281 1 10 HIS HB2 1 12 LEU MD2 . . 5.260 3.271 3.162 3.405 . 0 0 "[ . 1 . 2]" 1
282 1 10 HIS HB2 1 64 PHE QE . . 3.580 2.117 1.998 2.256 . 0 0 "[ . 1 . 2]" 1
283 1 10 HIS HB2 1 64 PHE HZ . . 3.970 3.527 3.359 3.720 . 0 0 "[ . 1 . 2]" 1
284 1 10 HIS HB2 1 87 HIS HA . . 5.500 4.477 4.354 4.536 . 0 0 "[ . 1 . 2]" 1
285 1 10 HIS HB2 1 87 HIS HE1 . . 5.500 5.132 4.922 5.282 . 0 0 "[ . 1 . 2]" 1
286 1 10 HIS HB2 1 88 ILE H . . 4.070 4.054 3.987 4.092 0.022 1 0 "[ . 1 . 2]" 1
287 1 10 HIS HB2 1 89 ILE HA . . 4.630 4.340 4.188 4.490 . 0 0 "[ . 1 . 2]" 1
288 1 10 HIS HB3 1 52 LEU MD2 . . 4.620 2.710 2.597 2.808 . 0 0 "[ . 1 . 2]" 1
289 1 10 HIS HB3 1 64 PHE QD . . 4.790 4.514 4.373 4.626 . 0 0 "[ . 1 . 2]" 1
290 1 10 HIS HB3 1 64 PHE QE . . 3.730 2.178 2.020 2.299 . 0 0 "[ . 1 . 2]" 1
291 1 10 HIS HB3 1 64 PHE HZ . . 3.900 2.230 2.123 2.324 . 0 0 "[ . 1 . 2]" 1
292 1 10 HIS HB3 1 89 ILE HA . . 4.810 3.551 3.429 3.697 . 0 0 "[ . 1 . 2]" 1
293 1 10 HIS HD2 1 50 GLY HA3 . . 4.680 4.154 3.896 4.343 . 0 0 "[ . 1 . 2]" 1
294 1 10 HIS HD2 1 51 ASN HA . . 4.560 3.896 3.720 4.054 . 0 0 "[ . 1 . 2]" 1
295 1 10 HIS HD2 1 52 LEU H . . 4.000 2.492 2.380 2.789 . 0 0 "[ . 1 . 2]" 1
296 1 10 HIS HD2 1 52 LEU HA . . 5.110 4.503 4.428 4.620 . 0 0 "[ . 1 . 2]" 1
297 1 10 HIS HD2 1 52 LEU HB3 . . 3.580 2.927 2.841 3.056 . 0 0 "[ . 1 . 2]" 1
298 1 10 HIS HD2 1 52 LEU MD2 . . 3.170 2.259 2.176 2.367 . 0 0 "[ . 1 . 2]" 1
299 1 10 HIS HD2 1 52 LEU HG . . 3.340 2.733 2.547 2.968 . 0 0 "[ . 1 . 2]" 1
300 1 10 HIS HD2 1 64 PHE HZ . . 4.320 4.098 3.941 4.249 . 0 0 "[ . 1 . 2]" 1
301 1 10 HIS HE1 1 52 LEU MD2 . . 4.700 4.298 4.013 4.530 . 0 0 "[ . 1 . 2]" 1
302 1 11 ILE H 1 11 ILE HB . . 3.220 2.821 2.767 2.842 . 0 0 "[ . 1 . 2]" 1
303 1 11 ILE H 1 11 ILE MD . . 4.470 4.297 4.225 4.418 . 0 0 "[ . 1 . 2]" 1
304 1 11 ILE H 1 11 ILE HG12 . . 4.410 4.307 4.246 4.397 . 0 0 "[ . 1 . 2]" 1
305 1 11 ILE H 1 11 ILE HG13 . . 3.750 3.261 3.163 3.448 . 0 0 "[ . 1 . 2]" 1
306 1 11 ILE H 1 12 LEU MD2 . . 4.750 3.513 3.447 3.605 . 0 0 "[ . 1 . 2]" 1
307 1 11 ILE H 1 32 PHE HZ . . 3.800 3.679 3.551 3.819 0.019 11 0 "[ . 1 . 2]" 1
308 1 11 ILE H 1 64 PHE QE . . 4.260 4.200 4.102 4.265 0.005 9 0 "[ . 1 . 2]" 1
309 1 11 ILE H 1 87 HIS HA . . 4.600 3.541 3.431 3.637 . 0 0 "[ . 1 . 2]" 1
310 1 11 ILE H 1 88 ILE H . . 3.170 2.083 1.976 2.158 . 0 0 "[ . 1 . 2]" 1
311 1 11 ILE H 1 88 ILE HG13 . . 5.160 5.102 4.937 5.172 0.012 10 0 "[ . 1 . 2]" 1
312 1 11 ILE H 1 88 ILE MG . . 5.390 4.222 4.123 4.309 . 0 0 "[ . 1 . 2]" 1
313 1 11 ILE H 1 89 ILE H . . 4.870 4.790 4.672 4.865 . 0 0 "[ . 1 . 2]" 1
314 1 11 ILE H 1 89 ILE HA . . 4.400 4.341 4.270 4.433 0.033 18 0 "[ . 1 . 2]" 1
315 1 11 ILE HA 1 11 ILE MD . . 4.080 3.821 3.780 3.833 . 0 0 "[ . 1 . 2]" 1
316 1 11 ILE HA 1 11 ILE HG12 . . 3.870 2.519 2.437 2.542 . 0 0 "[ . 1 . 2]" 1
317 1 11 ILE HA 1 11 ILE HG13 . . 4.010 2.888 2.830 2.929 . 0 0 "[ . 1 . 2]" 1
318 1 11 ILE HA 1 11 ILE MG . . 3.470 2.421 2.354 2.494 . 0 0 "[ . 1 . 2]" 1
319 1 11 ILE HA 1 12 LEU H . . 2.780 2.145 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
320 1 11 ILE HA 1 12 LEU MD2 . . 4.350 3.424 3.297 3.525 . 0 0 "[ . 1 . 2]" 1
321 1 11 ILE HA 1 32 PHE HZ . . 4.800 4.687 4.562 4.745 . 0 0 "[ . 1 . 2]" 1
322 1 11 ILE HA 1 36 ALA HA . . 4.050 4.080 4.037 4.128 0.078 20 0 "[ . 1 . 2]" 1
323 1 11 ILE HA 1 40 SER H . . 4.740 4.409 4.220 4.685 . 0 0 "[ . 1 . 2]" 1
324 1 11 ILE HA 1 40 SER HA . . 4.550 3.228 3.142 3.451 . 0 0 "[ . 1 . 2]" 1
325 1 11 ILE HA 1 40 SER QB . . 3.580 2.987 2.845 3.213 . 0 0 "[ . 1 . 2]" 1
326 1 11 ILE HA 1 87 HIS HA . . 5.500 5.359 5.260 5.441 . 0 0 "[ . 1 . 2]" 1
327 1 11 ILE HB 1 11 ILE MD . . 3.630 2.377 2.345 2.396 . 0 0 "[ . 1 . 2]" 1
328 1 11 ILE HB 1 87 HIS HA . . 5.500 5.139 4.970 5.240 . 0 0 "[ . 1 . 2]" 1
329 1 11 ILE MD 1 11 ILE MG . . 3.180 1.943 1.922 1.991 . 0 0 "[ . 1 . 2]" 1
330 1 11 ILE MD 1 12 LEU H . . 5.180 5.141 5.045 5.209 0.029 18 0 "[ . 1 . 2]" 1
331 1 11 ILE MD 1 22 ILE H . . 5.500 5.458 5.196 5.521 0.021 7 0 "[ . 1 . 2]" 1
332 1 11 ILE MD 1 22 ILE HA . . 5.500 4.593 4.396 4.773 . 0 0 "[ . 1 . 2]" 1
333 1 11 ILE MD 1 22 ILE HB . . 4.800 4.210 3.736 4.528 . 0 0 "[ . 1 . 2]" 1
334 1 11 ILE MD 1 22 ILE MD . . 3.910 2.295 1.958 2.887 . 0 0 "[ . 1 . 2]" 1
335 1 11 ILE MD 1 22 ILE QG . . 3.990 2.440 1.950 2.663 . 0 0 "[ . 1 . 2]" 1
336 1 11 ILE MD 1 22 ILE MG . . 3.400 2.349 1.997 2.751 . 0 0 "[ . 1 . 2]" 1
337 1 11 ILE MD 1 32 PHE HA . . 4.430 3.896 3.768 4.036 . 0 0 "[ . 1 . 2]" 1
338 1 11 ILE MD 1 32 PHE QD . . 3.580 3.145 3.065 3.230 . 0 0 "[ . 1 . 2]" 1
339 1 11 ILE MD 1 32 PHE QE . . 3.580 2.600 2.560 2.651 . 0 0 "[ . 1 . 2]" 1
340 1 11 ILE MD 1 32 PHE HZ . . 3.850 2.766 2.737 2.855 . 0 0 "[ . 1 . 2]" 1
341 1 11 ILE MD 1 33 GLY QA . . 5.400 4.050 3.856 4.240 . 0 0 "[ . 1 . 2]" 1
342 1 11 ILE MD 1 35 LEU H . . 4.140 3.935 3.834 4.065 . 0 0 "[ . 1 . 2]" 1
343 1 11 ILE MD 1 35 LEU HA . . 5.500 4.397 4.269 4.558 . 0 0 "[ . 1 . 2]" 1
344 1 11 ILE MD 1 35 LEU HB2 . . 4.290 2.490 2.377 2.620 . 0 0 "[ . 1 . 2]" 1
345 1 11 ILE MD 1 35 LEU HB3 . . 3.850 3.465 3.314 3.737 . 0 0 "[ . 1 . 2]" 1
346 1 11 ILE MD 1 36 ALA H . . 3.340 2.925 2.848 3.021 . 0 0 "[ . 1 . 2]" 1
347 1 11 ILE MD 1 36 ALA HA . . 4.010 2.434 2.353 2.508 . 0 0 "[ . 1 . 2]" 1
348 1 11 ILE MD 1 36 ALA MB . . 3.740 1.937 1.925 1.945 . 0 0 "[ . 1 . 2]" 1
349 1 11 ILE MD 1 37 LYS H . . 4.640 4.598 4.521 4.657 0.017 7 0 "[ . 1 . 2]" 1
350 1 11 ILE MD 1 40 SER QB . . 4.910 3.941 3.786 4.741 . 0 0 "[ . 1 . 2]" 1
351 1 11 ILE MD 1 76 VAL QG . . 5.440 4.471 4.328 4.602 . 0 0 "[ . 1 . 2]" 1
352 1 11 ILE MD 1 88 ILE HB . . 4.090 3.308 3.037 3.457 . 0 0 "[ . 1 . 2]" 1
353 1 11 ILE MD 1 88 ILE HG13 . . 5.500 4.280 3.887 4.475 . 0 0 "[ . 1 . 2]" 1
354 1 11 ILE MD 1 88 ILE MG . . 3.660 3.135 2.902 3.274 . 0 0 "[ . 1 . 2]" 1
355 1 11 ILE HG12 1 12 LEU H . . 4.320 4.315 4.244 4.351 0.031 18 0 "[ . 1 . 2]" 1
356 1 11 ILE HG12 1 13 VAL MG1 . . 5.500 5.333 5.246 5.454 . 0 0 "[ . 1 . 2]" 1
357 1 11 ILE HG12 1 22 ILE MG . . 5.500 5.085 4.762 5.500 . 0 0 "[ . 1 . 2]" 1
358 1 11 ILE HG12 1 32 PHE QD . . 5.020 4.851 4.797 4.943 . 0 0 "[ . 1 . 2]" 1
359 1 11 ILE HG12 1 32 PHE HZ . . 4.180 3.833 3.713 3.899 . 0 0 "[ . 1 . 2]" 1
360 1 11 ILE HG12 1 35 LEU HB2 . . 4.900 4.832 4.715 4.921 0.021 9 0 "[ . 1 . 2]" 1
361 1 11 ILE HG12 1 36 ALA H . . 4.230 4.195 4.132 4.265 0.035 8 0 "[ . 1 . 2]" 1
362 1 11 ILE HG12 1 36 ALA HA . . 3.780 2.065 1.980 2.118 . 0 0 "[ . 1 . 2]" 1
363 1 11 ILE HG12 1 36 ALA MB . . 3.720 2.116 1.996 2.203 . 0 0 "[ . 1 . 2]" 1
364 1 11 ILE HG12 1 38 GLU H . . 5.500 5.498 5.414 5.540 0.040 9 0 "[ . 1 . 2]" 1
365 1 11 ILE HG12 1 40 SER H . . 4.540 3.803 3.638 4.194 . 0 0 "[ . 1 . 2]" 1
366 1 11 ILE HG12 1 40 SER QB . . 4.760 2.794 2.590 3.697 . 0 0 "[ . 1 . 2]" 1
367 1 11 ILE HG12 1 88 ILE MG . . 5.480 5.365 5.172 5.467 . 0 0 "[ . 1 . 2]" 1
368 1 11 ILE HG13 1 11 ILE MG . . 3.490 3.199 3.187 3.203 . 0 0 "[ . 1 . 2]" 1
369 1 11 ILE HG13 1 32 PHE QE . . 3.790 2.475 2.292 2.682 . 0 0 "[ . 1 . 2]" 1
370 1 11 ILE HG13 1 32 PHE HZ . . 3.780 2.125 2.044 2.175 . 0 0 "[ . 1 . 2]" 1
371 1 11 ILE HG13 1 36 ALA HA . . 4.150 3.706 3.596 3.763 . 0 0 "[ . 1 . 2]" 1
372 1 11 ILE HG13 1 40 SER QB . . 5.240 4.315 4.140 4.858 . 0 0 "[ . 1 . 2]" 1
373 1 11 ILE MG 1 12 LEU H . . 2.850 2.686 2.287 2.873 0.023 20 0 "[ . 1 . 2]" 1
374 1 11 ILE MG 1 32 PHE HZ . . 5.090 4.661 4.461 4.719 . 0 0 "[ . 1 . 2]" 1
375 1 11 ILE MG 1 36 ALA H . . 5.110 4.651 4.445 4.770 . 0 0 "[ . 1 . 2]" 1
376 1 11 ILE MG 1 38 GLU H . . 5.210 4.718 4.609 4.978 . 0 0 "[ . 1 . 2]" 1
377 1 11 ILE MG 1 39 LEU H . . 4.250 4.010 3.909 4.142 . 0 0 "[ . 1 . 2]" 1
378 1 11 ILE MG 1 39 LEU HB3 . . 3.650 2.620 2.451 2.805 . 0 0 "[ . 1 . 2]" 1
379 1 11 ILE MG 1 40 SER H . . 3.590 2.412 2.271 2.626 . 0 0 "[ . 1 . 2]" 1
380 1 11 ILE MG 1 40 SER HB2 . . 4.540 2.651 2.413 3.849 . 0 0 "[ . 1 . 2]" 1
381 1 11 ILE MG 1 40 SER QB . . 3.730 2.587 2.387 3.234 . 0 0 "[ . 1 . 2]" 1
382 1 11 ILE MG 1 40 SER HB3 . . 4.540 3.888 3.475 4.285 . 0 0 "[ . 1 . 2]" 1
383 1 11 ILE MG 1 87 HIS HA . . 5.180 5.149 5.061 5.197 0.017 5 0 "[ . 1 . 2]" 1
384 1 11 ILE MG 1 88 ILE H . . 4.490 4.379 4.243 4.484 . 0 0 "[ . 1 . 2]" 1
385 1 12 LEU H 1 12 LEU HB2 . . 3.070 2.261 2.211 2.313 . 0 0 "[ . 1 . 2]" 1
386 1 12 LEU H 1 12 LEU MD1 . . 4.200 4.089 4.045 4.120 . 0 0 "[ . 1 . 2]" 1
387 1 12 LEU H 1 12 LEU MD2 . . 3.830 2.564 2.472 2.671 . 0 0 "[ . 1 . 2]" 1
388 1 12 LEU H 1 13 VAL H . . 4.580 4.499 4.455 4.563 . 0 0 "[ . 1 . 2]" 1
389 1 12 LEU H 1 13 VAL MG1 . . 4.170 4.099 3.967 4.176 0.006 18 0 "[ . 1 . 2]" 1
390 1 12 LEU H 1 36 ALA MB . . 5.500 5.368 5.168 5.469 . 0 0 "[ . 1 . 2]" 1
391 1 12 LEU H 1 39 LEU HB2 . . 5.500 5.449 5.284 5.509 0.009 16 0 "[ . 1 . 2]" 1
392 1 12 LEU H 1 40 SER H . . 4.680 4.432 4.341 4.544 . 0 0 "[ . 1 . 2]" 1
393 1 12 LEU H 1 40 SER HA . . 3.270 2.040 1.968 2.163 . 0 0 "[ . 1 . 2]" 1
394 1 12 LEU H 1 40 SER HB2 . . 4.350 3.622 3.463 4.170 . 0 0 "[ . 1 . 2]" 1
395 1 12 LEU H 1 40 SER QB . . 3.470 3.357 2.663 3.478 0.008 11 0 "[ . 1 . 2]" 1
396 1 12 LEU H 1 40 SER HB3 . . 4.350 4.107 2.695 4.376 0.026 17 0 "[ . 1 . 2]" 1
397 1 12 LEU H 1 41 ILE H . . 3.700 3.277 3.176 3.436 . 0 0 "[ . 1 . 2]" 1
398 1 12 LEU H 1 42 ASP H . . 3.990 3.695 3.608 3.858 . 0 0 "[ . 1 . 2]" 1
399 1 12 LEU H 1 42 ASP HB2 . . 4.830 4.623 4.364 4.809 . 0 0 "[ . 1 . 2]" 1
400 1 12 LEU H 1 42 ASP HB3 . . 4.730 4.318 4.176 4.531 . 0 0 "[ . 1 . 2]" 1
401 1 12 LEU H 1 87 HIS HA . . 5.480 5.089 5.030 5.135 . 0 0 "[ . 1 . 2]" 1
402 1 12 LEU HA 1 12 LEU MD1 . . 4.180 2.018 1.949 2.083 . 0 0 "[ . 1 . 2]" 1
403 1 12 LEU HA 1 12 LEU MD2 . . 4.570 2.638 2.604 2.680 . 0 0 "[ . 1 . 2]" 1
404 1 12 LEU HA 1 13 VAL H . . 2.680 2.189 2.159 2.272 . 0 0 "[ . 1 . 2]" 1
405 1 12 LEU HA 1 87 HIS HA . . 3.860 3.303 3.259 3.357 . 0 0 "[ . 1 . 2]" 1
406 1 12 LEU HA 1 88 ILE H . . 4.480 4.256 4.197 4.333 . 0 0 "[ . 1 . 2]" 1
407 1 12 LEU HB2 1 13 VAL H . . 4.660 4.288 4.121 4.370 . 0 0 "[ . 1 . 2]" 1
408 1 12 LEU HB2 1 41 ILE H . . 3.670 2.966 2.843 3.032 . 0 0 "[ . 1 . 2]" 1
409 1 12 LEU HB2 1 42 ASP H . . 3.430 2.556 2.505 2.588 . 0 0 "[ . 1 . 2]" 1
410 1 12 LEU HB2 1 87 HIS HA . . 5.470 5.487 5.456 5.509 0.039 18 0 "[ . 1 . 2]" 1
411 1 12 LEU HB2 1 87 HIS HE1 . . 5.500 5.512 5.473 5.540 0.040 18 0 "[ . 1 . 2]" 1
412 1 12 LEU HB3 1 13 VAL H . . 3.540 3.170 2.866 3.323 . 0 0 "[ . 1 . 2]" 1
413 1 12 LEU HB3 1 41 ILE H . . 3.460 3.200 3.080 3.300 . 0 0 "[ . 1 . 2]" 1
414 1 12 LEU HB3 1 42 ASP H . . 3.780 3.519 3.414 3.640 . 0 0 "[ . 1 . 2]" 1
415 1 12 LEU HB3 1 85 GLY HA3 . . 5.430 4.231 3.952 4.374 . 0 0 "[ . 1 . 2]" 1
416 1 12 LEU MD1 1 13 VAL H . . 3.020 2.738 2.567 2.901 . 0 0 "[ . 1 . 2]" 1
417 1 12 LEU MD1 1 42 ASP H . . 5.220 5.115 5.045 5.185 . 0 0 "[ . 1 . 2]" 1
418 1 12 LEU MD1 1 84 PHE H . . 4.280 3.805 3.773 3.840 . 0 0 "[ . 1 . 2]" 1
419 1 12 LEU MD1 1 84 PHE HA . . 5.500 3.877 3.744 3.992 . 0 0 "[ . 1 . 2]" 1
420 1 12 LEU MD1 1 84 PHE HB2 . . 4.050 1.973 1.964 1.990 . 0 0 "[ . 1 . 2]" 1
421 1 12 LEU MD1 1 84 PHE HB3 . . 4.240 2.765 2.512 2.935 . 0 0 "[ . 1 . 2]" 1
422 1 12 LEU MD1 1 84 PHE QD . . 4.670 3.534 3.424 3.636 . 0 0 "[ . 1 . 2]" 1
423 1 12 LEU MD1 1 85 GLY H . . 3.760 3.104 3.028 3.166 . 0 0 "[ . 1 . 2]" 1
424 1 12 LEU MD1 1 85 GLY HA2 . . 5.200 3.729 3.639 3.855 . 0 0 "[ . 1 . 2]" 1
425 1 12 LEU MD1 1 85 GLY HA3 . . 5.010 2.555 2.399 2.777 . 0 0 "[ . 1 . 2]" 1
426 1 12 LEU MD1 1 86 TYR H . . 3.220 3.167 3.091 3.237 0.017 20 0 "[ . 1 . 2]" 1
427 1 12 LEU MD1 1 86 TYR QD . . 5.090 5.078 5.061 5.099 0.009 16 0 "[ . 1 . 2]" 1
428 1 12 LEU MD1 1 87 HIS H . . 4.240 3.708 3.574 3.792 . 0 0 "[ . 1 . 2]" 1
429 1 12 LEU MD1 1 87 HIS HA . . 4.260 2.693 2.580 2.801 . 0 0 "[ . 1 . 2]" 1
430 1 12 LEU MD1 1 87 HIS HD2 . . 3.700 3.061 2.906 3.169 . 0 0 "[ . 1 . 2]" 1
431 1 12 LEU MD1 1 87 HIS HE1 . . 3.280 3.117 3.059 3.194 . 0 0 "[ . 1 . 2]" 1
432 1 12 LEU MD1 1 88 ILE H . . 4.630 4.381 4.292 4.452 . 0 0 "[ . 1 . 2]" 1
433 1 12 LEU MD2 1 64 PHE QD . . 4.450 4.140 4.062 4.221 . 0 0 "[ . 1 . 2]" 1
434 1 12 LEU MD2 1 86 TYR H . . 5.500 5.470 5.383 5.511 0.011 15 0 "[ . 1 . 2]" 1
435 1 12 LEU MD2 1 87 HIS HA . . 5.390 2.590 2.559 2.621 . 0 0 "[ . 1 . 2]" 1
436 1 12 LEU MD2 1 87 HIS HE1 . . 4.300 2.255 2.230 2.290 . 0 0 "[ . 1 . 2]" 1
437 1 12 LEU MD2 1 88 ILE H . . 4.050 3.708 3.662 3.756 . 0 0 "[ . 1 . 2]" 1
438 1 12 LEU HG 1 42 ASP HA . . 5.180 5.056 4.961 5.172 . 0 0 "[ . 1 . 2]" 1
439 1 12 LEU HG 1 84 PHE H . . 5.410 5.421 5.405 5.435 0.025 4 0 "[ . 1 . 2]" 1
440 1 12 LEU HG 1 84 PHE HB3 . . 3.820 2.467 2.396 2.575 . 0 0 "[ . 1 . 2]" 1
441 1 12 LEU HG 1 84 PHE QD . . 4.390 4.151 4.071 4.252 . 0 0 "[ . 1 . 2]" 1
442 1 12 LEU HG 1 85 GLY H . . 5.350 5.215 5.153 5.315 . 0 0 "[ . 1 . 2]" 1
443 1 12 LEU HG 1 85 GLY HA3 . . 5.500 4.899 4.734 5.054 . 0 0 "[ . 1 . 2]" 1
444 1 12 LEU HG 1 87 HIS HE1 . . 3.830 3.583 3.492 3.659 . 0 0 "[ . 1 . 2]" 1
445 1 13 VAL H 1 13 VAL MG2 . . 2.740 2.338 2.276 2.483 . 0 0 "[ . 1 . 2]" 1
446 1 13 VAL H 1 41 ILE HG12 . . 3.890 3.716 3.371 3.894 0.004 7 0 "[ . 1 . 2]" 1
447 1 13 VAL H 1 87 HIS HA . . 5.120 4.845 4.770 4.975 . 0 0 "[ . 1 . 2]" 1
448 1 13 VAL HA 1 13 VAL MG1 . . 3.260 2.333 2.283 2.428 . 0 0 "[ . 1 . 2]" 1
449 1 13 VAL HA 1 14 SER H . . 2.720 2.632 2.543 2.669 . 0 0 "[ . 1 . 2]" 1
450 1 13 VAL HA 1 41 ILE H . . 3.830 3.550 3.429 3.605 . 0 0 "[ . 1 . 2]" 1
451 1 13 VAL HA 1 41 ILE MD . . 4.180 4.083 3.701 4.192 0.012 9 0 "[ . 1 . 2]" 1
452 1 13 VAL HA 1 41 ILE HG12 . . 3.990 2.942 2.689 3.185 . 0 0 "[ . 1 . 2]" 1
453 1 13 VAL HA 1 41 ILE MG . . 3.610 2.371 2.080 2.652 . 0 0 "[ . 1 . 2]" 1
454 1 13 VAL HA 1 86 TYR QD . . 5.500 5.524 5.505 5.543 0.043 20 0 "[ . 1 . 2]" 1
455 1 13 VAL HB 1 14 SER H . . 2.630 1.970 1.938 2.133 . 0 0 "[ . 1 . 2]" 1
456 1 13 VAL HB 1 15 LYS H . . 3.120 2.569 2.467 2.635 . 0 0 "[ . 1 . 2]" 1
457 1 13 VAL HB 1 41 ILE MG . . 4.620 4.235 3.965 4.447 . 0 0 "[ . 1 . 2]" 1
458 1 13 VAL MG1 1 18 GLU HA . . 4.220 4.019 3.854 4.226 0.006 12 0 "[ . 1 . 2]" 1
459 1 13 VAL MG1 1 18 GLU HB2 . . 3.940 2.718 2.335 3.346 . 0 0 "[ . 1 . 2]" 1
460 1 13 VAL MG1 1 18 GLU HB3 . . 3.520 2.083 1.950 2.218 . 0 0 "[ . 1 . 2]" 1
461 1 13 VAL MG1 1 19 ALA HA . . 3.650 2.799 2.686 3.077 . 0 0 "[ . 1 . 2]" 1
462 1 13 VAL MG1 1 39 LEU HB3 . . 3.370 1.936 1.897 2.021 . 0 0 "[ . 1 . 2]" 1
463 1 13 VAL MG1 1 40 SER H . . 4.260 4.138 4.008 4.220 . 0 0 "[ . 1 . 2]" 1
464 1 13 VAL MG1 1 40 SER HA . . 4.420 3.674 3.476 3.751 . 0 0 "[ . 1 . 2]" 1
465 1 13 VAL MG1 1 41 ILE H . . 4.320 3.984 3.667 4.120 . 0 0 "[ . 1 . 2]" 1
466 1 13 VAL MG1 1 87 HIS HA . . 5.500 5.534 5.515 5.554 0.054 11 0 "[ . 1 . 2]" 1
467 1 13 VAL MG2 1 14 SER H . . 2.990 2.894 2.734 3.002 0.012 12 0 "[ . 1 . 2]" 1
468 1 13 VAL MG2 1 14 SER HA . . 4.740 3.688 3.495 3.759 . 0 0 "[ . 1 . 2]" 1
469 1 13 VAL MG2 1 15 LYS H . . 3.020 2.466 1.926 2.722 . 0 0 "[ . 1 . 2]" 1
470 1 13 VAL MG2 1 16 GLN H . . 4.830 4.541 4.358 4.813 . 0 0 "[ . 1 . 2]" 1
471 1 13 VAL MG2 1 18 GLU H . . 3.660 3.451 3.323 3.638 . 0 0 "[ . 1 . 2]" 1
472 1 13 VAL MG2 1 18 GLU HB2 . . 4.100 2.514 2.365 2.683 . 0 0 "[ . 1 . 2]" 1
473 1 13 VAL MG2 1 19 ALA H . . 2.950 1.997 1.916 2.257 . 0 0 "[ . 1 . 2]" 1
474 1 13 VAL MG2 1 19 ALA HA . . 4.000 2.954 2.858 3.133 . 0 0 "[ . 1 . 2]" 1
475 1 13 VAL MG2 1 19 ALA MB . . 3.230 1.808 1.774 1.887 . 0 0 "[ . 1 . 2]" 1
476 1 13 VAL MG2 1 86 TYR H . . 3.530 3.006 2.889 3.112 . 0 0 "[ . 1 . 2]" 1
477 1 13 VAL MG2 1 86 TYR HA . . 4.700 4.366 4.331 4.422 . 0 0 "[ . 1 . 2]" 1
478 1 13 VAL MG2 1 86 TYR HB2 . . 3.040 1.889 1.878 1.909 . 0 0 "[ . 1 . 2]" 1
479 1 13 VAL MG2 1 86 TYR QD . . 3.310 1.960 1.934 2.052 . 0 0 "[ . 1 . 2]" 1
480 1 13 VAL MG2 1 86 TYR QE . . 4.880 3.849 3.805 3.972 . 0 0 "[ . 1 . 2]" 1
481 1 13 VAL MG2 1 87 HIS HA . . 5.320 5.138 5.084 5.214 . 0 0 "[ . 1 . 2]" 1
482 1 14 SER H 1 14 SER HB2 . . 3.620 2.892 2.386 3.656 0.036 8 0 "[ . 1 . 2]" 1
483 1 14 SER H 1 14 SER QB . . 3.020 2.553 2.354 3.069 0.049 8 0 "[ . 1 . 2]" 1
484 1 14 SER H 1 14 SER HB3 . . 3.620 3.126 2.436 3.615 . 0 0 "[ . 1 . 2]" 1
485 1 14 SER H 1 15 LYS H . . 2.900 2.011 1.896 2.319 . 0 0 "[ . 1 . 2]" 1
486 1 14 SER H 1 15 LYS QG . . 4.160 3.390 2.848 3.834 . 0 0 "[ . 1 . 2]" 1
487 1 14 SER H 1 18 GLU HB3 . . 4.750 4.526 3.910 4.759 0.009 3 0 "[ . 1 . 2]" 1
488 1 14 SER H 1 18 GLU QG . . 4.730 4.215 3.579 4.738 0.008 10 0 "[ . 1 . 2]" 1
489 1 14 SER H 1 41 ILE MG . . 3.890 3.685 3.440 3.891 0.001 6 0 "[ . 1 . 2]" 1
490 1 14 SER H 1 86 TYR QD . . 4.710 4.561 4.471 4.691 . 0 0 "[ . 1 . 2]" 1
491 1 14 SER HA 1 41 ILE MD . . 4.400 4.401 4.298 4.416 0.016 15 0 "[ . 1 . 2]" 1
492 1 14 SER HA 1 41 ILE MG . . 5.450 4.586 4.293 4.879 . 0 0 "[ . 1 . 2]" 1
493 1 14 SER HA 1 86 TYR H . . 4.520 4.417 4.190 4.532 0.012 3 0 "[ . 1 . 2]" 1
494 1 14 SER HA 1 86 TYR QD . . 4.570 4.287 3.936 4.478 . 0 0 "[ . 1 . 2]" 1
495 1 15 LYS H 1 15 LYS QB . . 3.230 2.970 2.606 3.282 0.052 10 0 "[ . 1 . 2]" 1
496 1 15 LYS H 1 15 LYS QE . . 5.030 4.584 3.623 5.046 0.016 8 0 "[ . 1 . 2]" 1
497 1 15 LYS H 1 15 LYS QG . . 3.040 2.474 2.025 3.045 0.005 8 0 "[ . 1 . 2]" 1
498 1 15 LYS H 1 16 GLN H . . 4.720 4.394 4.240 4.446 . 0 0 "[ . 1 . 2]" 1
499 1 15 LYS H 1 18 GLU H . . 4.190 4.076 3.986 4.201 0.011 8 0 "[ . 1 . 2]" 1
500 1 15 LYS H 1 18 GLU QG . . 4.490 3.860 3.247 4.513 0.023 5 0 "[ . 1 . 2]" 1
501 1 15 LYS H 1 19 ALA H . . 4.330 4.321 4.128 4.356 0.026 18 0 "[ . 1 . 2]" 1
502 1 15 LYS H 1 19 ALA MB . . 4.770 4.551 4.151 4.700 . 0 0 "[ . 1 . 2]" 1
503 1 15 LYS H 1 86 TYR QD . . 3.860 3.428 2.815 3.719 . 0 0 "[ . 1 . 2]" 1
504 1 15 LYS H 1 86 TYR QE . . 4.430 4.220 3.746 4.434 0.004 11 0 "[ . 1 . 2]" 1
505 1 15 LYS HA 1 15 LYS QE . . 5.160 4.433 2.964 5.165 0.005 3 0 "[ . 1 . 2]" 1
506 1 15 LYS HA 1 15 LYS QG . . 3.740 3.050 2.477 3.342 . 0 0 "[ . 1 . 2]" 1
507 1 15 LYS HA 1 16 GLN H . . 2.920 2.260 2.200 2.330 . 0 0 "[ . 1 . 2]" 1
508 1 15 LYS HA 1 19 ALA H . . 5.500 5.488 5.445 5.520 0.020 9 0 "[ . 1 . 2]" 1
509 1 15 LYS HA 1 86 TYR QD . . 4.090 3.774 3.478 4.094 0.004 17 0 "[ . 1 . 2]" 1
510 1 15 LYS HA 1 86 TYR QE . . 3.300 2.625 2.221 3.077 . 0 0 "[ . 1 . 2]" 1
511 1 15 LYS QB 1 16 GLN H . . 3.270 2.765 2.577 2.947 . 0 0 "[ . 1 . 2]" 1
512 1 15 LYS QB 1 17 SER H . . 3.850 2.650 2.419 2.913 . 0 0 "[ . 1 . 2]" 1
513 1 15 LYS QD 1 18 GLU H . . 5.430 4.458 3.169 5.445 0.015 17 0 "[ . 1 . 2]" 1
514 1 15 LYS QE 1 18 GLU H . . 4.910 4.425 2.980 4.927 0.017 9 0 "[ . 1 . 2]" 1
515 1 16 GLN H 1 16 GLN HB2 . . 3.880 2.779 2.149 3.590 . 0 0 "[ . 1 . 2]" 1
516 1 16 GLN H 1 16 GLN QB . . 3.300 2.376 2.129 2.638 . 0 0 "[ . 1 . 2]" 1
517 1 16 GLN H 1 16 GLN HB3 . . 3.880 3.183 2.550 3.595 . 0 0 "[ . 1 . 2]" 1
518 1 16 GLN H 1 16 GLN HG2 . . 4.260 3.100 2.239 3.788 . 0 0 "[ . 1 . 2]" 1
519 1 16 GLN H 1 16 GLN QG . . 3.540 2.502 2.090 3.055 . 0 0 "[ . 1 . 2]" 1
520 1 16 GLN H 1 16 GLN HG3 . . 4.260 2.712 2.104 3.224 . 0 0 "[ . 1 . 2]" 1
521 1 16 GLN H 1 17 SER H . . 4.230 2.607 2.517 2.656 . 0 0 "[ . 1 . 2]" 1
522 1 16 GLN H 1 18 GLU H . . 4.510 4.106 3.780 4.258 . 0 0 "[ . 1 . 2]" 1
523 1 16 GLN H 1 86 TYR QD . . 4.440 4.022 3.683 4.427 . 0 0 "[ . 1 . 2]" 1
524 1 16 GLN H 1 86 TYR QE . . 3.880 2.626 2.229 3.054 . 0 0 "[ . 1 . 2]" 1
525 1 16 GLN HA 1 16 GLN QG . . 3.540 2.636 2.092 3.399 . 0 0 "[ . 1 . 2]" 1
526 1 16 GLN HA 1 19 ALA H . . 3.540 3.224 3.064 3.538 . 0 0 "[ . 1 . 2]" 1
527 1 16 GLN HA 1 20 LEU H . . 4.170 3.381 3.002 3.997 . 0 0 "[ . 1 . 2]" 1
528 1 16 GLN HA 1 20 LEU QB . . 5.340 3.854 3.548 4.342 . 0 0 "[ . 1 . 2]" 1
529 1 16 GLN HA 1 86 TYR QE . . 3.490 3.328 2.779 3.503 0.013 18 0 "[ . 1 . 2]" 1
530 1 16 GLN QB 1 16 GLN QE . . 3.740 2.990 2.071 3.573 . 0 0 "[ . 1 . 2]" 1
531 1 16 GLN QB 1 17 SER H . . 4.020 3.107 2.593 3.561 . 0 0 "[ . 1 . 2]" 1
532 1 16 GLN QB 1 86 TYR QE . . 4.430 3.541 2.808 4.037 . 0 0 "[ . 1 . 2]" 1
533 1 16 GLN HB2 1 17 SER H . . 4.600 3.312 2.643 3.865 . 0 0 "[ . 1 . 2]" 1
534 1 16 GLN HB3 1 17 SER H . . 4.600 3.797 3.208 4.195 . 0 0 "[ . 1 . 2]" 1
535 1 16 GLN QG 1 17 SER H . . 4.390 3.463 2.005 4.413 0.023 10 0 "[ . 1 . 2]" 1
536 1 16 GLN QG 1 86 TYR QE . . 3.970 3.042 2.319 3.952 . 0 0 "[ . 1 . 2]" 1
537 1 16 GLN HG2 1 17 SER H . . 5.090 4.433 3.439 5.092 0.002 16 0 "[ . 1 . 2]" 1
538 1 16 GLN HG2 1 86 TYR QE . . 4.600 3.393 3.006 4.539 . 0 0 "[ . 1 . 2]" 1
539 1 16 GLN HG3 1 17 SER H . . 5.090 3.742 2.019 4.912 . 0 0 "[ . 1 . 2]" 1
540 1 16 GLN HG3 1 86 TYR QE . . 4.600 3.558 2.406 4.604 0.004 4 0 "[ . 1 . 2]" 1
541 1 17 SER H 1 18 GLU H . . 3.840 2.605 2.437 2.671 . 0 0 "[ . 1 . 2]" 1
542 1 17 SER QB 1 18 GLU H . . 3.810 3.064 2.875 3.636 . 0 0 "[ . 1 . 2]" 1
543 1 17 SER HB2 1 18 GLU H . . 4.340 3.755 3.102 4.345 0.005 10 0 "[ . 1 . 2]" 1
544 1 17 SER HB3 1 18 GLU H . . 4.340 3.509 2.946 4.256 . 0 0 "[ . 1 . 2]" 1
545 1 18 GLU H 1 18 GLU HB2 . . 2.800 2.350 2.207 2.465 . 0 0 "[ . 1 . 2]" 1
546 1 18 GLU H 1 18 GLU HB3 . . 3.650 3.593 3.499 3.656 0.006 18 0 "[ . 1 . 2]" 1
547 1 18 GLU H 1 18 GLU QG . . 3.010 2.807 2.593 3.010 0.000 5 0 "[ . 1 . 2]" 1
548 1 18 GLU H 1 19 ALA H . . 2.760 2.344 2.218 2.535 . 0 0 "[ . 1 . 2]" 1
549 1 18 GLU H 1 19 ALA MB . . 4.150 3.953 3.819 4.150 . 0 0 "[ . 1 . 2]" 1
550 1 18 GLU H 1 20 LEU H . . 4.020 3.811 3.465 3.966 . 0 0 "[ . 1 . 2]" 1
551 1 18 GLU H 1 20 LEU HB2 . . 5.500 5.445 5.203 5.507 0.007 14 0 "[ . 1 . 2]" 1
552 1 18 GLU H 1 20 LEU HB3 . . 5.500 5.380 5.117 5.521 0.021 9 0 "[ . 1 . 2]" 1
553 1 18 GLU H 1 86 TYR QD . . 5.120 5.081 4.968 5.129 0.009 11 0 "[ . 1 . 2]" 1
554 1 18 GLU HA 1 18 GLU QG . . 3.500 2.468 2.211 2.747 . 0 0 "[ . 1 . 2]" 1
555 1 18 GLU HA 1 20 LEU H . . 4.910 4.694 4.313 4.874 . 0 0 "[ . 1 . 2]" 1
556 1 18 GLU HA 1 21 ALA MB . . 3.020 2.391 2.095 2.854 . 0 0 "[ . 1 . 2]" 1
557 1 18 GLU HB2 1 19 ALA H . . 3.190 2.594 2.432 2.938 . 0 0 "[ . 1 . 2]" 1
558 1 18 GLU HB2 1 20 LEU H . . 5.110 5.064 4.795 5.136 0.026 4 0 "[ . 1 . 2]" 1
559 1 18 GLU HB3 1 19 ALA H . . 3.520 3.411 3.121 3.524 0.004 15 0 "[ . 1 . 2]" 1
560 1 18 GLU QG 1 19 ALA H . . 4.560 4.169 3.985 4.407 . 0 0 "[ . 1 . 2]" 1
561 1 19 ALA H 1 19 ALA MB . . 2.660 2.074 2.028 2.219 . 0 0 "[ . 1 . 2]" 1
562 1 19 ALA H 1 20 LEU H . . 2.840 2.639 2.314 2.787 . 0 0 "[ . 1 . 2]" 1
563 1 19 ALA H 1 20 LEU QB . . 4.920 4.393 4.104 4.540 . 0 0 "[ . 1 . 2]" 1
564 1 19 ALA H 1 21 ALA MB . . 4.480 4.339 4.208 4.469 . 0 0 "[ . 1 . 2]" 1
565 1 19 ALA HA 1 22 ILE H . . 4.020 3.938 3.791 4.028 0.008 13 0 "[ . 1 . 2]" 1
566 1 19 ALA HA 1 22 ILE MD . . 3.950 3.362 1.947 3.950 0.000 6 0 "[ . 1 . 2]" 1
567 1 19 ALA HA 1 22 ILE QG . . 5.120 2.998 2.344 4.106 . 0 0 "[ . 1 . 2]" 1
568 1 19 ALA HA 1 86 TYR HB2 . . 5.230 4.534 4.336 4.723 . 0 0 "[ . 1 . 2]" 1
569 1 19 ALA HA 1 86 TYR QD . . 5.500 5.442 5.298 5.512 0.012 8 0 "[ . 1 . 2]" 1
570 1 19 ALA HA 1 88 ILE MD . . 3.570 3.226 2.939 3.499 . 0 0 "[ . 1 . 2]" 1
571 1 19 ALA HA 1 88 ILE HG13 . . 3.720 2.458 2.291 2.677 . 0 0 "[ . 1 . 2]" 1
572 1 19 ALA MB 1 20 LEU H . . 2.870 2.606 2.482 2.828 . 0 0 "[ . 1 . 2]" 1
573 1 19 ALA MB 1 21 ALA H . . 4.420 4.158 4.073 4.261 . 0 0 "[ . 1 . 2]" 1
574 1 19 ALA MB 1 79 PRO HA . . 4.300 3.001 2.692 3.142 . 0 0 "[ . 1 . 2]" 1
575 1 19 ALA MB 1 79 PRO HB3 . . 3.420 1.988 1.881 2.088 . 0 0 "[ . 1 . 2]" 1
576 1 19 ALA MB 1 86 TYR H . . 4.620 4.204 4.036 4.373 . 0 0 "[ . 1 . 2]" 1
577 1 19 ALA MB 1 86 TYR HB2 . . 3.400 2.211 2.049 2.394 . 0 0 "[ . 1 . 2]" 1
578 1 19 ALA MB 1 86 TYR HB3 . . 3.810 2.210 2.098 2.366 . 0 0 "[ . 1 . 2]" 1
579 1 19 ALA MB 1 86 TYR QD . . 3.340 2.898 2.743 2.998 . 0 0 "[ . 1 . 2]" 1
580 1 19 ALA MB 1 88 ILE MD . . 3.390 1.959 1.903 2.225 . 0 0 "[ . 1 . 2]" 1
581 1 20 LEU H 1 20 LEU HA . . 2.920 2.853 2.809 2.919 . 0 0 "[ . 1 . 2]" 1
582 1 20 LEU H 1 20 LEU QB . . 2.610 2.187 2.083 2.317 . 0 0 "[ . 1 . 2]" 1
583 1 20 LEU H 1 21 ALA H . . 3.050 2.546 2.451 2.642 . 0 0 "[ . 1 . 2]" 1
584 1 20 LEU H 1 22 ILE H . . 4.280 4.250 4.109 4.356 0.076 5 0 "[ . 1 . 2]" 1
585 1 20 LEU H 1 79 PRO HG3 . . 4.320 4.322 4.245 4.355 0.035 19 0 "[ . 1 . 2]" 1
586 1 20 LEU HA 1 21 ALA H . . 3.510 3.355 3.067 3.458 . 0 0 "[ . 1 . 2]" 1
587 1 20 LEU HA 1 23 MET H . . 4.100 3.736 3.507 3.963 . 0 0 "[ . 1 . 2]" 1
588 1 20 LEU HA 1 23 MET QB . . 5.000 4.411 3.853 4.806 . 0 0 "[ . 1 . 2]" 1
589 1 20 LEU HA 1 23 MET ME . . 5.250 3.989 2.580 5.261 0.011 17 0 "[ . 1 . 2]" 1
590 1 20 LEU HA 1 23 MET QG . . 3.580 2.856 2.210 3.274 . 0 0 "[ . 1 . 2]" 1
591 1 20 LEU HA 1 88 ILE MD . . 3.480 3.258 2.972 3.497 0.017 5 0 "[ . 1 . 2]" 1
592 1 20 LEU HA 1 88 ILE MG . . 5.500 4.676 4.339 4.991 . 0 0 "[ . 1 . 2]" 1
593 1 20 LEU QB 1 21 ALA H . . 3.590 3.163 2.918 3.634 0.044 5 0 "[ . 1 . 2]" 1
594 1 20 LEU QD 1 79 PRO HD3 . . 4.240 2.515 1.960 3.514 . 0 0 "[ . 1 . 2]" 1
595 1 21 ALA H 1 21 ALA MB . . 2.470 2.117 2.042 2.318 . 0 0 "[ . 1 . 2]" 1
596 1 21 ALA H 1 22 ILE H . . 2.890 2.461 1.928 2.586 . 0 0 "[ . 1 . 2]" 1
597 1 21 ALA H 1 22 ILE HA . . 5.180 4.998 4.596 5.117 . 0 0 "[ . 1 . 2]" 1
598 1 21 ALA H 1 22 ILE HB . . 4.910 4.787 4.173 4.928 0.018 14 0 "[ . 1 . 2]" 1
599 1 21 ALA H 1 22 ILE MD . . 4.710 4.112 2.876 4.713 0.003 14 0 "[ . 1 . 2]" 1
600 1 21 ALA H 1 23 MET H . . 4.520 4.250 3.769 4.466 . 0 0 "[ . 1 . 2]" 1
601 1 21 ALA H 1 24 GLU QG . . 4.920 4.372 4.076 4.632 . 0 0 "[ . 1 . 2]" 1
602 1 21 ALA HA 1 22 ILE H . . 3.570 3.384 3.313 3.479 . 0 0 "[ . 1 . 2]" 1
603 1 21 ALA HA 1 22 ILE MD . . 5.500 5.100 4.754 5.364 . 0 0 "[ . 1 . 2]" 1
604 1 21 ALA HA 1 24 GLU H . . 3.480 3.200 2.902 3.495 0.015 2 0 "[ . 1 . 2]" 1
605 1 21 ALA HA 1 24 GLU QB . . 3.450 3.064 2.678 3.423 . 0 0 "[ . 1 . 2]" 1
606 1 21 ALA HA 1 24 GLU QG . . 3.190 1.978 1.910 2.033 . 0 0 "[ . 1 . 2]" 1
607 1 21 ALA MB 1 22 ILE H . . 3.260 3.113 2.920 3.245 . 0 0 "[ . 1 . 2]" 1
608 1 21 ALA MB 1 23 MET H . . 4.680 4.510 4.364 4.688 0.008 20 0 "[ . 1 . 2]" 1
609 1 21 ALA MB 1 24 GLU H . . 4.300 4.278 4.077 4.371 0.071 19 0 "[ . 1 . 2]" 1
610 1 22 ILE H 1 22 ILE HB . . 2.640 2.527 2.479 2.638 . 0 0 "[ . 1 . 2]" 1
611 1 22 ILE H 1 22 ILE MD . . 3.230 2.905 2.044 3.238 0.008 18 0 "[ . 1 . 2]" 1
612 1 22 ILE H 1 22 ILE QG . . 2.800 2.292 1.960 2.794 . 0 0 "[ . 1 . 2]" 1
613 1 22 ILE H 1 23 MET H . . 2.900 2.512 2.422 2.732 . 0 0 "[ . 1 . 2]" 1
614 1 22 ILE H 1 23 MET QB . . 5.320 4.778 4.629 5.062 . 0 0 "[ . 1 . 2]" 1
615 1 22 ILE H 1 23 MET QG . . 4.250 3.807 3.456 4.194 . 0 0 "[ . 1 . 2]" 1
616 1 22 ILE H 1 24 GLU QB . . 5.500 5.388 5.218 5.521 0.021 17 0 "[ . 1 . 2]" 1
617 1 22 ILE H 1 24 GLU QG . . 4.670 4.338 4.198 4.560 . 0 0 "[ . 1 . 2]" 1
618 1 22 ILE H 1 76 VAL QG . . 5.440 4.565 4.180 4.789 . 0 0 "[ . 1 . 2]" 1
619 1 22 ILE H 1 88 ILE MD . . 4.900 4.279 3.959 4.655 . 0 0 "[ . 1 . 2]" 1
620 1 22 ILE H 1 88 ILE HG13 . . 4.340 4.210 4.021 4.334 . 0 0 "[ . 1 . 2]" 1
621 1 22 ILE HA 1 22 ILE MD . . 3.690 2.492 2.083 3.643 . 0 0 "[ . 1 . 2]" 1
622 1 22 ILE HA 1 22 ILE HG12 . . 3.870 3.160 3.067 3.385 . 0 0 "[ . 1 . 2]" 1
623 1 22 ILE HA 1 22 ILE QG . . 3.390 2.793 2.279 3.018 . 0 0 "[ . 1 . 2]" 1
624 1 22 ILE HA 1 22 ILE HG13 . . 3.870 3.371 2.323 3.753 . 0 0 "[ . 1 . 2]" 1
625 1 22 ILE HA 1 22 ILE MG . . 3.360 2.314 2.256 2.391 . 0 0 "[ . 1 . 2]" 1
626 1 22 ILE HA 1 24 GLU H . . 4.290 3.932 3.591 4.283 . 0 0 "[ . 1 . 2]" 1
627 1 22 ILE HA 1 25 LYS H . . 3.880 3.725 3.526 3.904 0.024 13 0 "[ . 1 . 2]" 1
628 1 22 ILE HA 1 26 LEU H . . 4.200 3.803 3.552 4.017 . 0 0 "[ . 1 . 2]" 1
629 1 22 ILE HA 1 26 LEU HG . . 4.400 3.264 2.839 3.674 . 0 0 "[ . 1 . 2]" 1
630 1 22 ILE HA 1 35 LEU MD1 . . 5.000 2.213 1.930 2.548 . 0 0 "[ . 1 . 2]" 1
631 1 22 ILE HA 1 35 LEU QD . . 3.630 2.208 1.926 2.541 . 0 0 "[ . 1 . 2]" 1
632 1 22 ILE HA 1 35 LEU MD2 . . 5.000 4.579 4.090 4.997 . 0 0 "[ . 1 . 2]" 1
633 1 22 ILE HA 1 76 VAL QG . . 5.440 4.451 4.067 4.703 . 0 0 "[ . 1 . 2]" 1
634 1 22 ILE HB 1 23 MET H . . 3.100 3.004 2.771 3.118 0.018 15 0 "[ . 1 . 2]" 1
635 1 22 ILE HB 1 88 ILE MD . . 4.800 3.455 2.964 3.989 . 0 0 "[ . 1 . 2]" 1
636 1 22 ILE HB 1 88 ILE MG . . 4.450 2.103 1.954 2.471 . 0 0 "[ . 1 . 2]" 1
637 1 22 ILE MD 1 24 GLU H . . 5.500 5.377 5.098 5.543 0.043 19 0 "[ . 1 . 2]" 1
638 1 22 ILE MG 1 23 MET H . . 3.900 3.756 3.592 3.873 . 0 0 "[ . 1 . 2]" 1
639 1 22 ILE MG 1 23 MET HA . . 4.260 3.703 3.569 3.849 . 0 0 "[ . 1 . 2]" 1
640 1 22 ILE MG 1 26 LEU QD . . 3.600 2.139 1.830 2.701 . 0 0 "[ . 1 . 2]" 1
641 1 22 ILE MG 1 32 PHE QE . . 4.060 2.455 2.120 2.818 . 0 0 "[ . 1 . 2]" 1
642 1 22 ILE MG 1 32 PHE HZ . . 4.450 3.843 3.509 4.081 . 0 0 "[ . 1 . 2]" 1
643 1 22 ILE MG 1 88 ILE MG . . 3.830 2.151 1.836 2.630 . 0 0 "[ . 1 . 2]" 1
644 1 23 MET H 1 23 MET QB . . 2.880 2.723 2.546 2.886 0.006 3 0 "[ . 1 . 2]" 1
645 1 23 MET H 1 23 MET ME . . 4.790 4.338 3.597 4.665 . 0 0 "[ . 1 . 2]" 1
646 1 23 MET H 1 23 MET QG . . 2.690 2.113 1.913 2.314 . 0 0 "[ . 1 . 2]" 1
647 1 23 MET H 1 24 GLU H . . 3.020 2.287 2.105 2.543 . 0 0 "[ . 1 . 2]" 1
648 1 23 MET H 1 25 LYS H . . 4.640 3.981 3.599 4.494 . 0 0 "[ . 1 . 2]" 1
649 1 23 MET H 1 76 VAL QG . . 4.290 3.654 3.319 4.017 . 0 0 "[ . 1 . 2]" 1
650 1 23 MET H 1 88 ILE MG . . 5.180 4.370 4.048 4.775 . 0 0 "[ . 1 . 2]" 1
651 1 23 MET HA 1 23 MET QG . . 3.930 3.234 2.600 3.371 . 0 0 "[ . 1 . 2]" 1
652 1 23 MET HA 1 25 LYS H . . 5.140 4.679 4.107 5.126 . 0 0 "[ . 1 . 2]" 1
653 1 23 MET HA 1 26 LEU HB2 . . 4.290 3.771 3.203 4.295 0.005 6 0 "[ . 1 . 2]" 1
654 1 23 MET HA 1 26 LEU QD . . 4.040 3.797 3.348 4.039 . 0 0 "[ . 1 . 2]" 1
655 1 23 MET HA 1 76 VAL QG . . 4.380 2.672 2.347 3.184 . 0 0 "[ . 1 . 2]" 1
656 1 23 MET QB 1 23 MET ME . . 3.780 2.522 1.934 3.452 . 0 0 "[ . 1 . 2]" 1
657 1 23 MET ME 1 24 GLU H . . 5.500 5.055 4.381 5.513 0.013 7 0 "[ . 1 . 2]" 1
658 1 23 MET ME 1 78 GLU HA . . 5.210 4.269 2.342 5.217 0.007 18 0 "[ . 1 . 2]" 1
659 1 23 MET QG 1 24 GLU H . . 3.790 2.900 2.245 3.846 0.056 14 0 "[ . 1 . 2]" 1
660 1 23 MET QG 1 78 GLU HA . . 5.450 5.296 4.912 5.462 0.012 7 0 "[ . 1 . 2]" 1
661 1 23 MET QG 1 79 PRO HD3 . . 5.110 4.817 4.452 5.118 0.008 5 0 "[ . 1 . 2]" 1
662 1 23 MET QG 1 88 ILE MD . . 4.600 4.349 3.607 4.614 0.014 5 0 "[ . 1 . 2]" 1
663 1 24 GLU H 1 24 GLU QB . . 2.770 2.696 2.431 2.808 0.038 5 0 "[ . 1 . 2]" 1
664 1 24 GLU H 1 24 GLU QG . . 2.670 2.330 2.011 2.643 . 0 0 "[ . 1 . 2]" 1
665 1 24 GLU H 1 26 LEU H . . 4.280 3.861 3.422 4.290 0.010 17 0 "[ . 1 . 2]" 1
666 1 24 GLU H 1 26 LEU QD . . 5.440 5.076 4.733 5.446 0.006 15 0 "[ . 1 . 2]" 1
667 1 24 GLU QB 1 25 LYS H . . 3.510 2.958 2.161 3.607 0.097 15 0 "[ . 1 . 2]" 1
668 1 24 GLU QG 1 25 LYS H . . 3.450 2.841 2.071 3.526 0.076 16 0 "[ . 1 . 2]" 1
669 1 24 GLU HG2 1 25 LYS H . . 4.220 3.466 2.207 4.267 0.047 5 0 "[ . 1 . 2]" 1
670 1 24 GLU HG3 1 25 LYS H . . 4.220 3.291 2.080 4.325 0.105 14 0 "[ . 1 . 2]" 1
671 1 25 LYS H 1 25 LYS HA . . 2.890 2.822 2.774 2.913 0.023 15 0 "[ . 1 . 2]" 1
672 1 25 LYS H 1 26 LEU H . . 2.850 2.745 2.418 2.867 0.017 13 0 "[ . 1 . 2]" 1
673 1 25 LYS H 1 27 LYS H . . 4.130 3.850 3.477 4.144 0.014 10 0 "[ . 1 . 2]" 1
674 1 25 LYS H 1 35 LEU QD . . 4.010 3.937 3.770 4.019 0.009 20 0 "[ . 1 . 2]" 1
675 1 26 LEU H 1 26 LEU HB2 . . 2.700 2.629 2.493 2.722 0.022 11 0 "[ . 1 . 2]" 1
676 1 26 LEU H 1 26 LEU HB3 . . 3.780 3.598 3.570 3.671 . 0 0 "[ . 1 . 2]" 1
677 1 26 LEU H 1 26 LEU QD . . 3.260 2.849 2.591 3.009 . 0 0 "[ . 1 . 2]" 1
678 1 26 LEU H 1 26 LEU HG . . 2.570 2.108 1.957 2.275 . 0 0 "[ . 1 . 2]" 1
679 1 26 LEU H 1 27 LYS H . . 2.950 2.688 2.587 2.775 . 0 0 "[ . 1 . 2]" 1
680 1 26 LEU H 1 28 SER H . . 4.960 4.474 4.282 4.965 0.005 20 0 "[ . 1 . 2]" 1
681 1 26 LEU H 1 30 GLU QG . . 4.650 4.244 3.946 4.700 0.050 19 0 "[ . 1 . 2]" 1
682 1 26 LEU H 1 35 LEU QD . . 3.570 3.290 2.925 3.578 0.008 19 0 "[ . 1 . 2]" 1
683 1 26 LEU HA 1 26 LEU MD1 . . 3.940 3.878 3.815 3.958 0.018 19 0 "[ . 1 . 2]" 1
684 1 26 LEU HA 1 26 LEU QD . . 3.060 2.162 1.988 2.362 . 0 0 "[ . 1 . 2]" 1
685 1 26 LEU HA 1 26 LEU MD2 . . 3.940 2.174 1.993 2.380 . 0 0 "[ . 1 . 2]" 1
686 1 26 LEU HA 1 26 LEU HG . . 3.800 3.282 3.130 3.410 . 0 0 "[ . 1 . 2]" 1
687 1 26 LEU HA 1 27 LYS H . . 3.550 3.361 2.969 3.467 . 0 0 "[ . 1 . 2]" 1
688 1 26 LEU HA 1 29 GLY H . . 3.440 2.972 2.605 3.122 . 0 0 "[ . 1 . 2]" 1
689 1 26 LEU HA 1 29 GLY HA2 . . 4.570 4.318 3.525 4.579 0.009 2 0 "[ . 1 . 2]" 1
690 1 26 LEU HA 1 30 GLU H . . 2.950 2.139 1.959 2.344 . 0 0 "[ . 1 . 2]" 1
691 1 26 LEU HA 1 30 GLU HB2 . . 3.950 2.511 2.235 3.080 . 0 0 "[ . 1 . 2]" 1
692 1 26 LEU HA 1 30 GLU HG2 . . 5.230 3.173 2.418 4.320 . 0 0 "[ . 1 . 2]" 1
693 1 26 LEU HA 1 30 GLU QG . . 4.420 2.672 2.377 2.869 . 0 0 "[ . 1 . 2]" 1
694 1 26 LEU HA 1 30 GLU HG3 . . 5.230 3.430 2.508 4.044 . 0 0 "[ . 1 . 2]" 1
695 1 26 LEU HA 1 35 LEU QD . . 4.560 4.156 3.716 4.424 . 0 0 "[ . 1 . 2]" 1
696 1 26 LEU HB2 1 29 GLY H . . 5.100 4.995 4.376 5.164 0.064 14 0 "[ . 1 . 2]" 1
697 1 26 LEU HB3 1 26 LEU MD1 . . 3.570 2.345 2.219 2.446 . 0 0 "[ . 1 . 2]" 1
698 1 26 LEU HB3 1 26 LEU MD2 . . 3.570 2.346 2.236 2.444 . 0 0 "[ . 1 . 2]" 1
699 1 26 LEU HB3 1 29 GLY H . . 4.460 4.308 3.480 4.488 0.028 5 0 "[ . 1 . 2]" 1
700 1 26 LEU HB3 1 32 PHE H . . 5.220 4.970 4.532 5.227 0.007 15 0 "[ . 1 . 2]" 1
701 1 26 LEU QD 1 27 LYS H . . 4.430 4.212 4.112 4.356 . 0 0 "[ . 1 . 2]" 1
702 1 26 LEU QD 1 29 GLY H . . 4.690 4.382 3.930 4.531 . 0 0 "[ . 1 . 2]" 1
703 1 26 LEU QD 1 30 GLU H . . 3.890 3.182 2.584 3.466 . 0 0 "[ . 1 . 2]" 1
704 1 26 LEU QD 1 32 PHE H . . 3.980 2.658 2.389 3.115 . 0 0 "[ . 1 . 2]" 1
705 1 26 LEU QD 1 32 PHE HA . . 3.260 1.932 1.812 2.147 . 0 0 "[ . 1 . 2]" 1
706 1 26 LEU QD 1 32 PHE QD . . 2.880 2.299 2.045 2.642 . 0 0 "[ . 1 . 2]" 1
707 1 26 LEU QD 1 33 GLY H . . 4.690 4.227 4.094 4.319 . 0 0 "[ . 1 . 2]" 1
708 1 26 LEU QD 1 34 LYS H . . 4.520 4.350 4.113 4.523 0.003 15 0 "[ . 1 . 2]" 1
709 1 26 LEU QD 1 35 LEU QD . . 3.700 2.164 1.743 2.754 . 0 0 "[ . 1 . 2]" 1
710 1 26 LEU MD1 1 27 LYS H . . 5.500 4.939 4.688 5.485 . 0 0 "[ . 1 . 2]" 1
711 1 26 LEU MD1 1 32 PHE HA . . 4.370 2.307 1.927 2.918 . 0 0 "[ . 1 . 2]" 1
712 1 26 LEU MD2 1 27 LYS H . . 5.500 4.590 4.459 4.720 . 0 0 "[ . 1 . 2]" 1
713 1 26 LEU MD2 1 32 PHE HA . . 4.370 2.132 1.972 2.498 . 0 0 "[ . 1 . 2]" 1
714 1 26 LEU HG 1 32 PHE QD . . 4.730 4.666 4.299 4.741 0.011 15 0 "[ . 1 . 2]" 1
715 1 27 LYS H 1 27 LYS HA . . 2.850 2.779 2.756 2.851 0.001 20 0 "[ . 1 . 2]" 1
716 1 27 LYS H 1 28 SER H . . 2.800 2.708 2.507 2.769 . 0 0 "[ . 1 . 2]" 1
717 1 27 LYS H 1 29 GLY H . . 4.270 4.063 3.875 4.138 . 0 0 "[ . 1 . 2]" 1
718 1 27 LYS H 1 30 GLU QG . . 4.670 4.552 3.934 4.686 0.016 4 0 "[ . 1 . 2]" 1
719 1 27 LYS H 1 35 LEU QD . . 5.440 5.342 5.019 5.480 0.040 19 0 "[ . 1 . 2]" 1
720 1 28 SER H 1 28 SER QB . . 2.550 2.276 2.180 2.453 . 0 0 "[ . 1 . 2]" 1
721 1 28 SER H 1 29 GLY HA2 . . 4.890 4.708 4.315 4.825 . 0 0 "[ . 1 . 2]" 1
722 1 28 SER H 1 30 GLU HB2 . . 5.480 5.285 5.135 5.487 0.007 20 0 "[ . 1 . 2]" 1
723 1 28 SER H 1 30 GLU QG . . 4.570 3.418 3.312 3.578 . 0 0 "[ . 1 . 2]" 1
724 1 28 SER QB 1 29 GLY H . . 3.280 2.957 2.834 3.053 . 0 0 "[ . 1 . 2]" 1
725 1 28 SER QB 1 30 GLU QG . . 4.010 2.839 2.474 3.769 . 0 0 "[ . 1 . 2]" 1
726 1 29 GLY H 1 29 GLY HA2 . . 2.730 2.489 2.435 2.521 . 0 0 "[ . 1 . 2]" 1
727 1 29 GLY H 1 30 GLU HB2 . . 4.610 4.437 4.370 4.545 . 0 0 "[ . 1 . 2]" 1
728 1 29 GLY H 1 30 GLU QG . . 4.650 2.973 2.813 3.273 . 0 0 "[ . 1 . 2]" 1
729 1 29 GLY HA2 1 30 GLU H . . 3.500 2.877 2.700 3.040 . 0 0 "[ . 1 . 2]" 1
730 1 29 GLY HA3 1 30 GLU HA . . 4.870 4.561 4.520 4.715 . 0 0 "[ . 1 . 2]" 1
731 1 30 GLU H 1 30 GLU HB2 . . 3.040 2.695 2.500 2.784 . 0 0 "[ . 1 . 2]" 1
732 1 30 GLU H 1 30 GLU QG . . 3.120 2.138 1.922 2.483 . 0 0 "[ . 1 . 2]" 1
733 1 30 GLU H 1 31 LYS H . . 4.430 4.212 3.109 4.441 0.011 4 0 "[ . 1 . 2]" 1
734 1 30 GLU HA 1 30 GLU QG . . 3.680 2.945 2.577 3.200 . 0 0 "[ . 1 . 2]" 1
735 1 30 GLU HA 1 31 LYS H . . 3.270 2.862 2.735 3.552 0.282 10 0 "[ . 1 . 2]" 1
736 1 30 GLU HB2 1 31 LYS H . . 2.620 2.550 1.908 2.671 0.051 14 0 "[ . 1 . 2]" 1
737 1 30 GLU HB3 1 31 LYS H . . 2.870 2.177 2.001 2.877 0.007 19 0 "[ . 1 . 2]" 1
738 1 30 GLU QG 1 31 LYS H . . 4.600 3.960 3.734 4.032 . 0 0 "[ . 1 . 2]" 1
739 1 31 LYS H 1 31 LYS QB . . 3.030 2.559 2.287 2.981 . 0 0 "[ . 1 . 2]" 1
740 1 31 LYS H 1 32 PHE H . . 4.440 4.273 3.464 4.461 0.021 13 0 "[ . 1 . 2]" 1
741 1 31 LYS H 1 34 LYS H . . 4.820 4.355 4.019 4.918 0.098 20 0 "[ . 1 . 2]" 1
742 1 31 LYS H 1 35 LEU QD . . 5.270 3.958 3.646 4.461 . 0 0 "[ . 1 . 2]" 1
743 1 31 LYS HA 1 31 LYS QD . . 3.840 2.951 1.993 3.832 . 0 0 "[ . 1 . 2]" 1
744 1 31 LYS HA 1 31 LYS HG2 . . 3.870 3.415 2.542 3.712 . 0 0 "[ . 1 . 2]" 1
745 1 31 LYS HA 1 31 LYS HG3 . . 3.870 2.489 2.166 3.623 . 0 0 "[ . 1 . 2]" 1
746 1 31 LYS HA 1 32 PHE H . . 2.990 2.177 2.140 2.233 . 0 0 "[ . 1 . 2]" 1
747 1 31 LYS HA 1 33 GLY H . . 4.290 4.124 3.715 4.300 0.010 18 0 "[ . 1 . 2]" 1
748 1 31 LYS HA 1 34 LYS H . . 4.490 4.412 4.143 4.522 0.032 6 0 "[ . 1 . 2]" 1
749 1 31 LYS QB 1 32 PHE H . . 3.860 3.650 3.458 3.862 0.002 10 0 "[ . 1 . 2]" 1
750 1 31 LYS QB 1 33 GLY H . . 3.900 3.639 3.402 3.905 0.005 20 0 "[ . 1 . 2]" 1
751 1 31 LYS QB 1 34 LYS H . . 2.440 2.349 2.235 2.442 0.002 1 0 "[ . 1 . 2]" 1
752 1 31 LYS QG 1 33 GLY H . . 4.090 2.697 2.318 3.979 . 0 0 "[ . 1 . 2]" 1
753 1 31 LYS QG 1 34 LYS H . . 3.240 3.175 2.982 3.398 0.158 20 0 "[ . 1 . 2]" 1
754 1 32 PHE H 1 32 PHE QB . . 3.250 2.253 2.249 2.257 . 0 0 "[ . 1 . 2]" 1
755 1 32 PHE H 1 32 PHE QD . . 4.670 4.183 4.179 4.187 . 0 0 "[ . 1 . 2]" 1
756 1 32 PHE H 1 33 GLY H . . 3.750 2.829 2.710 2.926 . 0 0 "[ . 1 . 2]" 1
757 1 32 PHE H 1 92 PHE QE . . 5.190 4.771 4.163 5.139 . 0 0 "[ . 1 . 2]" 1
758 1 32 PHE H 1 92 PHE HZ . . 5.000 4.066 3.817 4.350 . 0 0 "[ . 1 . 2]" 1
759 1 32 PHE HA 1 32 PHE QD . . 3.230 3.090 3.062 3.102 . 0 0 "[ . 1 . 2]" 1
760 1 32 PHE HA 1 34 LYS H . . 4.570 4.242 4.056 4.413 . 0 0 "[ . 1 . 2]" 1
761 1 32 PHE HA 1 35 LEU H . . 3.960 3.725 3.639 3.885 . 0 0 "[ . 1 . 2]" 1
762 1 32 PHE HA 1 35 LEU QD . . 4.820 3.157 2.842 3.576 . 0 0 "[ . 1 . 2]" 1
763 1 32 PHE HA 1 35 LEU HG . . 4.300 3.157 2.895 3.504 . 0 0 "[ . 1 . 2]" 1
764 1 32 PHE QB 1 33 GLY H . . 3.930 2.461 2.313 2.600 . 0 0 "[ . 1 . 2]" 1
765 1 32 PHE QB 1 90 LYS QD . . 3.460 2.444 2.301 2.531 . 0 0 "[ . 1 . 2]" 1
766 1 32 PHE QB 1 90 LYS QE . . 4.290 3.532 3.379 3.617 . 0 0 "[ . 1 . 2]" 1
767 1 32 PHE QB 1 92 PHE QE . . 4.620 3.188 3.102 3.312 . 0 0 "[ . 1 . 2]" 1
768 1 32 PHE QB 1 92 PHE HZ . . 3.380 2.040 1.947 2.265 . 0 0 "[ . 1 . 2]" 1
769 1 32 PHE QD 1 33 GLY H . . 3.700 3.172 2.944 3.298 . 0 0 "[ . 1 . 2]" 1
770 1 32 PHE QD 1 33 GLY QA . . 3.280 2.735 2.638 2.820 . 0 0 "[ . 1 . 2]" 1
771 1 32 PHE QD 1 35 LEU H . . 5.220 4.846 4.711 4.986 . 0 0 "[ . 1 . 2]" 1
772 1 32 PHE QD 1 36 ALA H . . 4.370 4.165 4.020 4.326 . 0 0 "[ . 1 . 2]" 1
773 1 32 PHE QD 1 49 ASN HD21 . . 5.500 5.389 5.277 5.508 0.008 11 0 "[ . 1 . 2]" 1
774 1 32 PHE QD 1 50 GLY HA3 . . 5.060 4.790 4.433 5.068 0.008 17 0 "[ . 1 . 2]" 1
775 1 32 PHE QD 1 76 VAL HA . . 5.500 5.461 5.398 5.509 0.009 1 0 "[ . 1 . 2]" 1
776 1 32 PHE QD 1 76 VAL MG1 . . 4.200 4.190 4.131 4.211 0.011 9 0 "[ . 1 . 2]" 1
777 1 32 PHE QD 1 76 VAL QG . . 3.120 3.095 3.004 3.140 0.020 14 0 "[ . 1 . 2]" 1
778 1 32 PHE QD 1 76 VAL MG2 . . 4.200 3.189 3.079 3.241 . 0 0 "[ . 1 . 2]" 1
779 1 32 PHE QD 1 90 LYS HA . . 5.500 5.532 5.518 5.573 0.073 20 0 "[ . 1 . 2]" 1
780 1 32 PHE QD 1 90 LYS HB2 . . 3.590 3.286 3.252 3.324 . 0 0 "[ . 1 . 2]" 1
781 1 32 PHE QD 1 90 LYS HB3 . . 3.970 3.335 3.247 3.416 . 0 0 "[ . 1 . 2]" 1
782 1 32 PHE QD 1 90 LYS HD2 . . 3.280 2.002 1.989 2.097 . 0 0 "[ . 1 . 2]" 1
783 1 32 PHE QD 1 90 LYS QD . . 2.670 1.910 1.885 1.998 . 0 0 "[ . 1 . 2]" 1
784 1 32 PHE QD 1 90 LYS HD3 . . 3.280 2.429 2.311 2.826 . 0 0 "[ . 1 . 2]" 1
785 1 32 PHE QD 1 90 LYS HE2 . . 5.220 4.469 4.306 4.623 . 0 0 "[ . 1 . 2]" 1
786 1 32 PHE QD 1 90 LYS QE . . 4.500 3.869 3.691 4.043 . 0 0 "[ . 1 . 2]" 1
787 1 32 PHE QD 1 90 LYS HE3 . . 5.220 4.250 3.920 4.497 . 0 0 "[ . 1 . 2]" 1
788 1 32 PHE QD 1 90 LYS QG . . 4.290 3.761 3.697 3.844 . 0 0 "[ . 1 . 2]" 1
789 1 32 PHE QE 1 33 GLY H . . 5.500 5.428 5.214 5.525 0.025 19 0 "[ . 1 . 2]" 1
790 1 32 PHE QE 1 36 ALA H . . 4.930 4.796 4.657 4.944 0.014 17 0 "[ . 1 . 2]" 1
791 1 32 PHE QE 1 49 ASN HA . . 5.500 5.506 5.358 5.554 0.054 20 0 "[ . 1 . 2]" 1
792 1 32 PHE QE 1 50 GLY H . . 5.500 5.317 5.146 5.469 . 0 0 "[ . 1 . 2]" 1
793 1 32 PHE QE 1 50 GLY HA3 . . 4.370 3.047 2.703 3.304 . 0 0 "[ . 1 . 2]" 1
794 1 32 PHE QE 1 76 VAL HA . . 5.080 4.715 4.637 4.840 . 0 0 "[ . 1 . 2]" 1
795 1 32 PHE QE 1 76 VAL MG1 . . 3.580 3.267 3.071 3.391 . 0 0 "[ . 1 . 2]" 1
796 1 32 PHE QE 1 76 VAL QG . . 3.040 2.972 2.808 3.058 0.018 3 0 "[ . 1 . 2]" 1
797 1 32 PHE QE 1 76 VAL MG2 . . 3.580 3.423 3.251 3.527 . 0 0 "[ . 1 . 2]" 1
798 1 32 PHE QE 1 88 ILE HA . . 5.500 5.303 5.127 5.486 . 0 0 "[ . 1 . 2]" 1
799 1 32 PHE QE 1 88 ILE MG . . 2.830 2.234 2.065 2.385 . 0 0 "[ . 1 . 2]" 1
800 1 32 PHE QE 1 90 LYS H . . 4.320 4.123 3.978 4.233 . 0 0 "[ . 1 . 2]" 1
801 1 32 PHE QE 1 90 LYS HA . . 5.120 4.703 4.641 4.824 . 0 0 "[ . 1 . 2]" 1
802 1 32 PHE QE 1 90 LYS HB2 . . 4.030 2.451 2.359 2.620 . 0 0 "[ . 1 . 2]" 1
803 1 32 PHE QE 1 90 LYS HB3 . . 4.200 2.920 2.796 3.123 . 0 0 "[ . 1 . 2]" 1
804 1 32 PHE QE 1 90 LYS QG . . 5.040 4.133 4.049 4.289 . 0 0 "[ . 1 . 2]" 1
805 1 32 PHE HZ 1 88 ILE HB . . 4.320 3.655 3.426 3.843 . 0 0 "[ . 1 . 2]" 1
806 1 32 PHE HZ 1 88 ILE MG . . 3.510 3.296 3.133 3.493 . 0 0 "[ . 1 . 2]" 1
807 1 32 PHE HZ 1 89 ILE HA . . 4.380 4.092 3.990 4.177 . 0 0 "[ . 1 . 2]" 1
808 1 32 PHE HZ 1 90 LYS H . . 4.260 4.130 4.000 4.232 . 0 0 "[ . 1 . 2]" 1
809 1 32 PHE HZ 1 90 LYS HB2 . . 5.380 4.231 4.116 4.412 . 0 0 "[ . 1 . 2]" 1
810 1 32 PHE HZ 1 90 LYS HB3 . . 5.010 3.882 3.816 3.988 . 0 0 "[ . 1 . 2]" 1
811 1 33 GLY H 1 33 GLY QA . . 2.710 2.195 2.191 2.201 . 0 0 "[ . 1 . 2]" 1
812 1 33 GLY H 1 34 LYS H . . 3.370 2.732 2.626 2.811 . 0 0 "[ . 1 . 2]" 1
813 1 33 GLY H 1 35 LEU H . . 4.490 4.190 4.125 4.294 . 0 0 "[ . 1 . 2]" 1
814 1 33 GLY H 1 36 ALA MB . . 4.510 4.319 4.146 4.420 . 0 0 "[ . 1 . 2]" 1
815 1 33 GLY H 1 49 ASN HB2 . . 5.500 5.488 5.363 5.529 0.029 14 0 "[ . 1 . 2]" 1
816 1 33 GLY QA 1 36 ALA H . . 3.180 2.829 2.732 2.908 . 0 0 "[ . 1 . 2]" 1
817 1 33 GLY QA 1 36 ALA MB . . 3.670 2.123 1.996 2.243 . 0 0 "[ . 1 . 2]" 1
818 1 33 GLY QA 1 49 ASN HA . . 4.390 3.270 3.011 3.440 . 0 0 "[ . 1 . 2]" 1
819 1 33 GLY QA 1 49 ASN HB2 . . 3.740 3.358 3.323 3.404 . 0 0 "[ . 1 . 2]" 1
820 1 33 GLY QA 1 49 ASN HB3 . . 3.990 1.913 1.890 1.952 . 0 0 "[ . 1 . 2]" 1
821 1 33 GLY QA 1 49 ASN HD21 . . 4.580 2.380 2.244 2.521 . 0 0 "[ . 1 . 2]" 1
822 1 34 LYS H 1 35 LEU H . . 2.880 2.700 2.621 2.782 . 0 0 "[ . 1 . 2]" 1
823 1 34 LYS H 1 35 LEU MD1 . . 5.500 5.353 5.207 5.494 . 0 0 "[ . 1 . 2]" 1
824 1 34 LYS H 1 35 LEU QD . . 4.310 4.176 4.030 4.295 . 0 0 "[ . 1 . 2]" 1
825 1 34 LYS H 1 35 LEU MD2 . . 5.500 4.360 4.183 4.529 . 0 0 "[ . 1 . 2]" 1
826 1 34 LYS H 1 35 LEU HG . . 4.930 4.039 3.868 4.196 . 0 0 "[ . 1 . 2]" 1
827 1 34 LYS H 1 36 ALA H . . 4.070 3.975 3.895 4.077 0.007 15 0 "[ . 1 . 2]" 1
828 1 34 LYS H 1 37 LYS H . . 5.070 4.950 4.848 5.093 0.023 9 0 "[ . 1 . 2]" 1
829 1 35 LEU H 1 35 LEU HB2 . . 3.220 2.763 2.717 2.798 . 0 0 "[ . 1 . 2]" 1
830 1 35 LEU H 1 35 LEU MD1 . . 3.910 3.812 3.741 3.890 . 0 0 "[ . 1 . 2]" 1
831 1 35 LEU H 1 35 LEU QD . . 3.220 2.882 2.755 3.001 . 0 0 "[ . 1 . 2]" 1
832 1 35 LEU H 1 35 LEU MD2 . . 3.910 2.985 2.831 3.127 . 0 0 "[ . 1 . 2]" 1
833 1 35 LEU H 1 35 LEU HG . . 2.540 2.287 2.208 2.389 . 0 0 "[ . 1 . 2]" 1
834 1 35 LEU H 1 36 ALA H . . 2.970 2.087 1.992 2.206 . 0 0 "[ . 1 . 2]" 1
835 1 35 LEU H 1 37 LYS H . . 3.800 3.673 3.589 3.756 . 0 0 "[ . 1 . 2]" 1
836 1 35 LEU H 1 38 GLU H . . 5.340 5.238 5.105 5.332 . 0 0 "[ . 1 . 2]" 1
837 1 35 LEU H 1 49 ASN HD21 . . 4.900 4.772 4.663 4.908 0.008 10 0 "[ . 1 . 2]" 1
838 1 35 LEU HA 1 35 LEU QD . . 4.060 2.254 2.115 2.364 . 0 0 "[ . 1 . 2]" 1
839 1 35 LEU HA 1 38 GLU H . . 3.870 3.830 3.600 3.893 0.023 17 0 "[ . 1 . 2]" 1
840 1 35 LEU HA 1 38 GLU QB . . 3.970 3.368 2.942 4.050 0.080 9 0 "[ . 1 . 2]" 1
841 1 35 LEU HA 1 38 GLU HG3 . . 4.170 3.711 2.004 4.181 0.011 2 0 "[ . 1 . 2]" 1
842 1 35 LEU HA 1 39 LEU H . . 3.880 3.434 3.310 3.656 . 0 0 "[ . 1 . 2]" 1
843 1 35 LEU HA 1 39 LEU QD . . 3.840 3.461 3.251 3.652 . 0 0 "[ . 1 . 2]" 1
844 1 35 LEU HB2 1 36 ALA H . . 3.380 2.989 2.821 3.103 . 0 0 "[ . 1 . 2]" 1
845 1 35 LEU HB2 1 37 LYS H . . 5.120 4.954 4.820 5.029 . 0 0 "[ . 1 . 2]" 1
846 1 35 LEU HB2 1 38 GLU H . . 5.470 5.457 5.324 5.488 0.018 10 0 "[ . 1 . 2]" 1
847 1 35 LEU QD 1 36 ALA H . . 4.280 4.055 4.022 4.092 . 0 0 "[ . 1 . 2]" 1
848 1 35 LEU QD 1 37 LYS H . . 5.230 4.993 4.931 5.059 . 0 0 "[ . 1 . 2]" 1
849 1 35 LEU MD1 1 36 ALA H . . 5.500 4.722 4.627 4.838 . 0 0 "[ . 1 . 2]" 1
850 1 35 LEU MD2 1 36 ALA H . . 5.500 4.417 4.358 4.470 . 0 0 "[ . 1 . 2]" 1
851 1 36 ALA H 1 36 ALA MB . . 2.590 2.240 2.210 2.264 . 0 0 "[ . 1 . 2]" 1
852 1 36 ALA H 1 37 LYS H . . 3.030 2.445 2.408 2.499 . 0 0 "[ . 1 . 2]" 1
853 1 36 ALA H 1 38 GLU H . . 4.300 4.071 4.011 4.172 . 0 0 "[ . 1 . 2]" 1
854 1 36 ALA H 1 40 SER H . . 5.210 5.091 5.018 5.223 0.013 17 0 "[ . 1 . 2]" 1
855 1 36 ALA H 1 49 ASN HA . . 4.710 4.470 4.344 4.577 . 0 0 "[ . 1 . 2]" 1
856 1 36 ALA HA 1 38 GLU H . . 4.400 3.478 3.428 3.610 . 0 0 "[ . 1 . 2]" 1
857 1 36 ALA HA 1 39 LEU H . . 4.200 3.982 3.755 4.164 . 0 0 "[ . 1 . 2]" 1
858 1 36 ALA HA 1 40 SER H . . 3.270 2.668 2.511 2.975 . 0 0 "[ . 1 . 2]" 1
859 1 36 ALA HA 1 40 SER QB . . 4.670 2.433 2.215 3.547 . 0 0 "[ . 1 . 2]" 1
860 1 36 ALA MB 1 37 LYS H . . 3.060 2.973 2.923 3.094 0.034 9 0 "[ . 1 . 2]" 1
861 1 36 ALA MB 1 38 GLU H . . 4.410 4.263 4.243 4.384 . 0 0 "[ . 1 . 2]" 1
862 1 36 ALA MB 1 40 SER H . . 4.400 4.141 3.946 4.411 0.011 17 0 "[ . 1 . 2]" 1
863 1 36 ALA MB 1 49 ASN H . . 4.260 4.155 3.941 4.259 . 0 0 "[ . 1 . 2]" 1
864 1 36 ALA MB 1 49 ASN HA . . 3.880 2.315 1.994 2.565 . 0 0 "[ . 1 . 2]" 1
865 1 36 ALA MB 1 49 ASN HB2 . . 4.670 3.983 3.804 4.169 . 0 0 "[ . 1 . 2]" 1
866 1 36 ALA MB 1 50 GLY H . . 3.540 3.171 2.980 3.337 . 0 0 "[ . 1 . 2]" 1
867 1 36 ALA MB 1 50 GLY HA2 . . 4.330 3.590 3.335 3.782 . 0 0 "[ . 1 . 2]" 1
868 1 36 ALA MB 1 50 GLY HA3 . . 3.820 2.315 2.062 2.529 . 0 0 "[ . 1 . 2]" 1
869 1 36 ALA MB 1 51 ASN H . . 4.840 4.214 4.117 4.380 . 0 0 "[ . 1 . 2]" 1
870 1 37 LYS H 1 38 GLU H . . 2.910 2.519 2.343 2.632 . 0 0 "[ . 1 . 2]" 1
871 1 37 LYS H 1 38 GLU HG2 . . 4.780 4.067 3.045 4.553 . 0 0 "[ . 1 . 2]" 1
872 1 37 LYS H 1 39 LEU H . . 4.490 4.323 4.048 4.434 . 0 0 "[ . 1 . 2]" 1
873 1 37 LYS H 1 40 SER H . . 5.000 4.747 4.564 4.819 . 0 0 "[ . 1 . 2]" 1
874 1 37 LYS H 1 49 ASN H . . 5.500 5.492 5.252 5.524 0.024 8 0 "[ . 1 . 2]" 1
875 1 37 LYS H 1 49 ASN HA . . 3.710 3.646 3.564 3.706 . 0 0 "[ . 1 . 2]" 1
876 1 37 LYS H 1 49 ASN HD21 . . 3.940 3.100 2.936 3.267 . 0 0 "[ . 1 . 2]" 1
877 1 37 LYS HA 1 38 GLU H . . 3.340 3.202 3.078 3.262 . 0 0 "[ . 1 . 2]" 1
878 1 37 LYS HA 1 46 ALA MB . . 3.310 2.887 2.656 3.147 . 0 0 "[ . 1 . 2]" 1
879 1 37 LYS HA 1 49 ASN H . . 4.300 3.972 3.760 4.105 . 0 0 "[ . 1 . 2]" 1
880 1 37 LYS HA 1 49 ASN HD21 . . 4.860 4.044 3.811 4.231 . 0 0 "[ . 1 . 2]" 1
881 1 37 LYS HA 1 50 GLY H . . 5.130 4.992 4.828 5.140 0.010 6 0 "[ . 1 . 2]" 1
882 1 38 GLU H 1 38 GLU QB . . 2.980 2.814 2.703 3.194 0.214 8 0 "[ . 1 . 2]" 1
883 1 38 GLU H 1 38 GLU HG2 . . 3.390 3.131 2.095 3.390 0.000 11 0 "[ . 1 . 2]" 1
884 1 38 GLU H 1 39 LEU H . . 2.920 2.263 2.111 2.381 . 0 0 "[ . 1 . 2]" 1
885 1 38 GLU H 1 39 LEU HA . . 4.930 4.727 4.684 4.757 . 0 0 "[ . 1 . 2]" 1
886 1 38 GLU H 1 39 LEU HB2 . . 4.410 4.087 4.001 4.133 . 0 0 "[ . 1 . 2]" 1
887 1 38 GLU H 1 39 LEU HB3 . . 5.500 5.499 5.442 5.525 0.025 2 0 "[ . 1 . 2]" 1
888 1 38 GLU H 1 39 LEU QD . . 4.670 4.529 4.394 4.684 0.014 17 0 "[ . 1 . 2]" 1
889 1 38 GLU H 1 46 ALA MB . . 4.130 4.086 3.968 4.166 0.036 17 0 "[ . 1 . 2]" 1
890 1 38 GLU H 1 49 ASN HD21 . . 5.500 5.500 5.331 5.520 0.020 12 0 "[ . 1 . 2]" 1
891 1 38 GLU HA 1 38 GLU QB . . 2.630 2.313 2.154 2.381 . 0 0 "[ . 1 . 2]" 1
892 1 38 GLU HA 1 38 GLU HG2 . . 4.180 2.806 2.557 3.605 . 0 0 "[ . 1 . 2]" 1
893 1 38 GLU QB 1 39 LEU H . . 2.980 2.217 2.023 3.107 0.127 9 0 "[ . 1 . 2]" 1
894 1 38 GLU QB 1 40 SER H . . 5.030 4.614 4.396 5.076 0.046 9 0 "[ . 1 . 2]" 1
895 1 38 GLU HG3 1 39 LEU H . . 4.730 3.919 1.927 4.500 . 0 0 "[ . 1 . 2]" 1
896 1 39 LEU H 1 39 LEU HB3 . . 3.640 3.583 3.579 3.586 . 0 0 "[ . 1 . 2]" 1
897 1 39 LEU H 1 39 LEU QD . . 3.150 2.927 2.757 3.103 . 0 0 "[ . 1 . 2]" 1
898 1 39 LEU H 1 39 LEU HG . . 2.780 2.243 2.094 2.395 . 0 0 "[ . 1 . 2]" 1
899 1 39 LEU H 1 40 SER H . . 2.830 2.792 2.623 2.847 0.017 5 0 "[ . 1 . 2]" 1
900 1 39 LEU HA 1 39 LEU QD . . 3.080 2.091 2.015 2.179 . 0 0 "[ . 1 . 2]" 1
901 1 39 LEU HA 1 39 LEU HG . . 4.260 3.215 3.050 3.302 . 0 0 "[ . 1 . 2]" 1
902 1 39 LEU HB2 1 39 LEU QD . . 2.910 2.298 2.208 2.361 . 0 0 "[ . 1 . 2]" 1
903 1 39 LEU HB2 1 40 SER H . . 3.520 2.412 2.305 2.595 . 0 0 "[ . 1 . 2]" 1
904 1 39 LEU HB2 1 40 SER HA . . 4.880 4.191 4.103 4.275 . 0 0 "[ . 1 . 2]" 1
905 1 39 LEU HB2 1 40 SER QB . . 5.340 4.045 3.929 4.697 . 0 0 "[ . 1 . 2]" 1
906 1 39 LEU HB3 1 40 SER H . . 3.770 3.486 3.401 3.570 . 0 0 "[ . 1 . 2]" 1
907 1 40 SER H 1 40 SER HB2 . . 3.370 2.221 2.124 2.852 . 0 0 "[ . 1 . 2]" 1
908 1 40 SER H 1 40 SER QB . . 2.850 2.163 2.088 2.741 . 0 0 "[ . 1 . 2]" 1
909 1 40 SER H 1 40 SER HB3 . . 3.370 3.002 2.846 3.547 0.177 7 0 "[ . 1 . 2]" 1
910 1 40 SER H 1 41 ILE H . . 4.490 4.331 4.309 4.385 . 0 0 "[ . 1 . 2]" 1
911 1 40 SER HA 1 41 ILE H . . 2.660 2.168 2.151 2.175 . 0 0 "[ . 1 . 2]" 1
912 1 40 SER HA 1 41 ILE HG12 . . 5.350 4.260 4.129 4.389 . 0 0 "[ . 1 . 2]" 1
913 1 40 SER HA 1 41 ILE MG . . 5.500 4.055 3.919 4.143 . 0 0 "[ . 1 . 2]" 1
914 1 40 SER HA 1 42 ASP H . . 3.740 3.401 3.358 3.445 . 0 0 "[ . 1 . 2]" 1
915 1 40 SER QB 1 41 ILE H . . 3.980 3.879 3.570 3.931 . 0 0 "[ . 1 . 2]" 1
916 1 40 SER QB 1 42 ASP H . . 4.000 3.868 3.310 4.003 0.003 17 0 "[ . 1 . 2]" 1
917 1 40 SER HB2 1 41 ILE H . . 4.630 4.572 4.287 4.623 . 0 0 "[ . 1 . 2]" 1
918 1 40 SER HB3 1 41 ILE H . . 4.630 4.194 3.820 4.291 . 0 0 "[ . 1 . 2]" 1
919 1 41 ILE H 1 41 ILE HB . . 3.910 3.617 3.607 3.625 . 0 0 "[ . 1 . 2]" 1
920 1 41 ILE H 1 41 ILE MD . . 4.550 3.768 3.757 3.813 . 0 0 "[ . 1 . 2]" 1
921 1 41 ILE H 1 41 ILE HG12 . . 2.830 2.367 2.244 2.481 . 0 0 "[ . 1 . 2]" 1
922 1 41 ILE H 1 41 ILE HG13 . . 3.140 2.389 2.264 2.595 . 0 0 "[ . 1 . 2]" 1
923 1 41 ILE H 1 42 ASP H . . 3.160 2.457 2.387 2.540 . 0 0 "[ . 1 . 2]" 1
924 1 41 ILE H 1 42 ASP HB3 . . 4.970 4.723 4.595 4.878 . 0 0 "[ . 1 . 2]" 1
925 1 41 ILE HA 1 41 ILE MD . . 4.030 4.070 4.030 4.108 0.078 8 0 "[ . 1 . 2]" 1
926 1 41 ILE HA 1 41 ILE MG . . 3.240 2.254 2.171 2.356 . 0 0 "[ . 1 . 2]" 1
927 1 41 ILE HB 1 41 ILE MD . . 3.430 2.051 2.017 2.099 . 0 0 "[ . 1 . 2]" 1
928 1 41 ILE HB 1 42 ASP H . . 4.310 3.952 3.912 4.027 . 0 0 "[ . 1 . 2]" 1
929 1 41 ILE MD 1 41 ILE MG . . 2.980 2.601 2.493 2.699 . 0 0 "[ . 1 . 2]" 1
930 1 41 ILE MD 1 42 ASP H . . 4.280 3.767 3.613 3.956 . 0 0 "[ . 1 . 2]" 1
931 1 41 ILE HG13 1 42 ASP H . . 3.420 2.193 2.121 2.305 . 0 0 "[ . 1 . 2]" 1
932 1 42 ASP H 1 42 ASP HB2 . . 3.130 2.573 2.440 2.663 . 0 0 "[ . 1 . 2]" 1
933 1 42 ASP H 1 42 ASP HB3 . . 3.020 2.493 2.406 2.624 . 0 0 "[ . 1 . 2]" 1
934 1 42 ASP H 1 46 ALA MB . . 4.530 4.434 4.191 4.541 0.011 2 0 "[ . 1 . 2]" 1
935 1 42 ASP HA 1 43 SER H . . 3.010 2.145 2.138 2.155 . 0 0 "[ . 1 . 2]" 1
936 1 42 ASP HB2 1 43 SER H . . 4.600 4.357 4.177 4.453 . 0 0 "[ . 1 . 2]" 1
937 1 42 ASP HB2 1 84 PHE HB3 . . 5.140 4.404 4.188 4.699 . 0 0 "[ . 1 . 2]" 1
938 1 42 ASP HB2 1 87 HIS HE1 . . 5.500 5.528 5.512 5.544 0.044 15 0 "[ . 1 . 2]" 1
939 1 42 ASP HB3 1 45 SER H . . 4.340 4.086 3.066 4.346 0.006 8 0 "[ . 1 . 2]" 1
940 1 42 ASP HB3 1 46 ALA H . . 4.390 4.003 3.746 4.413 0.023 15 0 "[ . 1 . 2]" 1
941 1 43 SER H 1 43 SER QB . . 3.220 2.417 2.169 2.780 . 0 0 "[ . 1 . 2]" 1
942 1 43 SER H 1 44 GLY H . . 3.690 2.839 2.681 3.806 0.116 17 0 "[ . 1 . 2]" 1
943 1 43 SER HA 1 45 SER H . . 4.070 3.777 3.666 4.077 0.007 17 0 "[ . 1 . 2]" 1
944 1 43 SER HA 1 46 ALA H . . 3.880 3.879 3.664 3.942 0.062 17 0 "[ . 1 . 2]" 1
945 1 43 SER HA 1 46 ALA MB . . 3.930 3.498 3.139 3.569 . 0 0 "[ . 1 . 2]" 1
946 1 44 GLY H 1 44 GLY QA . . 2.550 2.273 2.255 2.502 . 0 0 "[ . 1 . 2]" 1
947 1 44 GLY H 1 45 SER H . . 3.410 3.132 1.793 3.299 . 0 0 "[ . 1 . 2]" 1
948 1 44 GLY H 1 46 ALA H . . 4.560 4.430 2.354 4.584 0.024 18 0 "[ . 1 . 2]" 1
949 1 44 GLY H 1 46 ALA MB . . 5.410 5.252 3.296 5.420 0.010 1 0 "[ . 1 . 2]" 1
950 1 44 GLY QA 1 45 SER H . . 3.210 2.687 2.640 2.909 . 0 0 "[ . 1 . 2]" 1
951 1 44 GLY QA 1 46 ALA H . . 4.510 4.343 3.752 4.469 . 0 0 "[ . 1 . 2]" 1
952 1 44 GLY QA 1 48 LYS QD . . 3.920 3.287 2.754 4.013 0.093 17 0 "[ . 1 . 2]" 1
953 1 45 SER H 1 45 SER QB . . 3.170 2.941 2.668 3.156 . 0 0 "[ . 1 . 2]" 1
954 1 45 SER H 1 46 ALA H . . 2.690 1.931 1.853 2.004 . 0 0 "[ . 1 . 2]" 1
955 1 45 SER H 1 46 ALA MB . . 3.700 3.569 3.438 3.612 . 0 0 "[ . 1 . 2]" 1
956 1 45 SER H 1 47 LYS H . . 4.050 2.815 2.677 3.860 . 0 0 "[ . 1 . 2]" 1
957 1 45 SER H 1 48 LYS H . . 4.970 4.259 4.102 5.107 0.137 17 0 "[ . 1 . 2]" 1
958 1 45 SER H 1 48 LYS QD . . 4.770 3.217 2.968 4.137 . 0 0 "[ . 1 . 2]" 1
959 1 45 SER HA 1 47 LYS H . . 4.220 3.684 3.328 3.811 . 0 0 "[ . 1 . 2]" 1
960 1 45 SER HA 1 48 LYS HB2 . . 4.860 4.794 4.599 4.877 0.017 15 0 "[ . 1 . 2]" 1
961 1 45 SER HA 1 48 LYS QD . . 4.380 2.071 1.984 3.232 . 0 0 "[ . 1 . 2]" 1
962 1 45 SER HA 1 48 LYS QE . . 5.170 3.629 2.451 4.035 . 0 0 "[ . 1 . 2]" 1
963 1 45 SER HA 1 48 LYS QG . . 4.140 2.194 2.005 2.395 . 0 0 "[ . 1 . 2]" 1
964 1 45 SER HA 1 50 GLY H . . 4.420 3.538 3.077 4.049 . 0 0 "[ . 1 . 2]" 1
965 1 45 SER QB 1 46 ALA H . . 3.310 2.824 2.461 3.396 0.086 15 0 "[ . 1 . 2]" 1
966 1 46 ALA H 1 46 ALA MB . . 2.560 2.103 2.060 2.330 . 0 0 "[ . 1 . 2]" 1
967 1 46 ALA H 1 47 LYS H . . 3.320 2.611 2.109 2.693 . 0 0 "[ . 1 . 2]" 1
968 1 46 ALA H 1 48 LYS H . . 4.440 4.139 3.687 4.197 . 0 0 "[ . 1 . 2]" 1
969 1 46 ALA H 1 49 ASN H . . 5.500 5.431 5.302 5.566 0.066 17 0 "[ . 1 . 2]" 1
970 1 46 ALA HA 1 48 LYS H . . 3.950 3.934 3.871 3.965 0.015 11 0 "[ . 1 . 2]" 1
971 1 46 ALA MB 1 47 LYS H . . 3.150 3.086 2.987 3.178 0.028 15 0 "[ . 1 . 2]" 1
972 1 47 LYS H 1 48 LYS H . . 2.970 2.285 2.126 2.370 . 0 0 "[ . 1 . 2]" 1
973 1 47 LYS H 1 48 LYS QD . . 3.890 2.970 2.708 3.378 . 0 0 "[ . 1 . 2]" 1
974 1 47 LYS H 1 49 ASN H . . 4.200 4.036 3.961 4.088 . 0 0 "[ . 1 . 2]" 1
975 1 47 LYS HA 1 48 LYS H . . 3.470 3.422 3.332 3.445 . 0 0 "[ . 1 . 2]" 1
976 1 47 LYS HA 1 49 ASN H . . 4.580 3.878 3.790 3.955 . 0 0 "[ . 1 . 2]" 1
977 1 47 LYS QB 1 48 LYS HA . . 4.850 4.290 4.150 4.551 . 0 0 "[ . 1 . 2]" 1
978 1 48 LYS H 1 48 LYS HB2 . . 3.630 3.662 3.571 3.697 0.067 9 0 "[ . 1 . 2]" 1
979 1 48 LYS H 1 48 LYS HB3 . . 3.610 3.295 3.245 3.478 . 0 0 "[ . 1 . 2]" 1
980 1 48 LYS H 1 48 LYS QE . . 4.540 4.196 4.022 4.468 . 0 0 "[ . 1 . 2]" 1
981 1 48 LYS H 1 48 LYS QG . . 3.070 2.085 1.922 2.170 . 0 0 "[ . 1 . 2]" 1
982 1 48 LYS H 1 49 ASN H . . 2.980 2.497 2.391 2.569 . 0 0 "[ . 1 . 2]" 1
983 1 48 LYS H 1 49 ASN HA . . 4.550 4.446 4.305 4.500 . 0 0 "[ . 1 . 2]" 1
984 1 48 LYS H 1 50 GLY H . . 3.540 3.038 2.906 3.074 . 0 0 "[ . 1 . 2]" 1
985 1 48 LYS H 1 51 ASN H . . 4.690 4.665 4.588 4.720 0.030 9 0 "[ . 1 . 2]" 1
986 1 48 LYS HA 1 48 LYS QD . . 4.560 3.509 3.313 3.795 . 0 0 "[ . 1 . 2]" 1
987 1 48 LYS HA 1 48 LYS QE . . 5.500 4.668 4.421 5.379 . 0 0 "[ . 1 . 2]" 1
988 1 48 LYS HA 1 48 LYS HG2 . . 4.240 3.621 3.561 3.638 . 0 0 "[ . 1 . 2]" 1
989 1 48 LYS HA 1 48 LYS HG3 . . 4.240 4.230 4.170 4.238 . 0 0 "[ . 1 . 2]" 1
990 1 48 LYS HA 1 49 ASN H . . 3.200 2.968 2.935 2.995 . 0 0 "[ . 1 . 2]" 1
991 1 48 LYS HA 1 49 ASN HB2 . . 5.500 4.156 4.058 4.247 . 0 0 "[ . 1 . 2]" 1
992 1 48 LYS HB2 1 49 ASN H . . 4.390 4.354 4.277 4.375 . 0 0 "[ . 1 . 2]" 1
993 1 48 LYS HB2 1 50 GLY H . . 4.190 4.174 4.062 4.214 0.024 8 0 "[ . 1 . 2]" 1
994 1 48 LYS HB2 1 51 ASN H . . 3.500 3.174 3.091 3.228 . 0 0 "[ . 1 . 2]" 1
995 1 48 LYS HB3 1 49 ASN H . . 4.720 4.636 4.615 4.658 . 0 0 "[ . 1 . 2]" 1
996 1 48 LYS HB3 1 50 GLY H . . 5.280 5.022 4.938 5.214 . 0 0 "[ . 1 . 2]" 1
997 1 48 LYS HB3 1 51 ASN H . . 4.790 4.773 4.718 4.815 0.025 5 0 "[ . 1 . 2]" 1
998 1 48 LYS QG 1 49 ASN H . . 3.830 3.637 3.502 3.730 . 0 0 "[ . 1 . 2]" 1
999 1 48 LYS QG 1 50 GLY H . . 3.740 2.601 2.531 2.935 . 0 0 "[ . 1 . 2]" 1
1000 1 48 LYS HG2 1 51 ASN H . . 4.200 3.427 3.292 3.690 . 0 0 "[ . 1 . 2]" 1
1001 1 48 LYS HG3 1 51 ASN H . . 4.200 3.732 3.356 3.922 . 0 0 "[ . 1 . 2]" 1
1002 1 49 ASN H 1 49 ASN HA . . 2.590 2.278 2.273 2.280 . 0 0 "[ . 1 . 2]" 1
1003 1 49 ASN H 1 49 ASN HB2 . . 3.640 3.436 3.350 3.514 . 0 0 "[ . 1 . 2]" 1
1004 1 49 ASN H 1 49 ASN HD22 . . 4.760 4.426 4.312 4.521 . 0 0 "[ . 1 . 2]" 1
1005 1 49 ASN H 1 50 GLY H . . 3.120 2.765 2.690 2.793 . 0 0 "[ . 1 . 2]" 1
1006 1 49 ASN H 1 51 ASN H . . 4.400 4.271 4.187 4.353 . 0 0 "[ . 1 . 2]" 1
1007 1 49 ASN HA 1 50 GLY H . . 3.150 2.911 2.884 2.940 . 0 0 "[ . 1 . 2]" 1
1008 1 49 ASN HA 1 51 ASN H . . 4.730 4.323 4.250 4.403 . 0 0 "[ . 1 . 2]" 1
1009 1 49 ASN HB2 1 51 ASN H . . 3.710 3.433 3.374 3.540 . 0 0 "[ . 1 . 2]" 1
1010 1 50 GLY H 1 50 GLY HA2 . . 2.770 2.296 2.294 2.298 . 0 0 "[ . 1 . 2]" 1
1011 1 50 GLY H 1 51 ASN H . . 3.110 2.732 2.679 2.797 . 0 0 "[ . 1 . 2]" 1
1012 1 50 GLY H 1 51 ASN QB . . 4.730 4.534 4.489 4.557 . 0 0 "[ . 1 . 2]" 1
1013 1 50 GLY HA2 1 51 ASN H . . 3.460 3.060 2.979 3.141 . 0 0 "[ . 1 . 2]" 1
1014 1 50 GLY HA2 1 52 LEU H . . 5.500 4.502 4.314 4.938 . 0 0 "[ . 1 . 2]" 1
1015 1 51 ASN H 1 51 ASN HB2 . . 3.070 2.634 2.339 3.017 . 0 0 "[ . 1 . 2]" 1
1016 1 51 ASN H 1 51 ASN QB . . 2.590 2.321 2.259 2.370 . 0 0 "[ . 1 . 2]" 1
1017 1 51 ASN H 1 51 ASN HB3 . . 3.070 2.693 2.363 2.985 . 0 0 "[ . 1 . 2]" 1
1018 1 51 ASN H 1 51 ASN HD21 . . 4.650 4.444 3.947 4.651 0.001 11 0 "[ . 1 . 2]" 1
1019 1 51 ASN H 1 52 LEU H . . 4.260 3.923 3.806 4.170 . 0 0 "[ . 1 . 2]" 1
1020 1 51 ASN QB 1 51 ASN HD22 . . 3.580 3.358 3.230 3.438 . 0 0 "[ . 1 . 2]" 1
1021 1 51 ASN QB 1 52 LEU H . . 4.270 4.010 3.924 4.049 . 0 0 "[ . 1 . 2]" 1
1022 1 51 ASN QB 1 53 GLY H . . 4.310 3.935 3.544 4.115 . 0 0 "[ . 1 . 2]" 1
1023 1 51 ASN HD21 1 53 GLY H . . 4.630 3.390 1.942 4.636 0.006 4 0 "[ . 1 . 2]" 1
1024 1 51 ASN HD22 1 53 GLY H . . 4.620 3.616 2.577 4.587 . 0 0 "[ . 1 . 2]" 1
1025 1 52 LEU H 1 52 LEU HB2 . . 3.670 3.585 3.576 3.616 . 0 0 "[ . 1 . 2]" 1
1026 1 52 LEU H 1 52 LEU HB3 . . 3.110 2.690 2.665 2.804 . 0 0 "[ . 1 . 2]" 1
1027 1 52 LEU H 1 52 LEU MD1 . . 3.770 3.436 3.298 3.511 . 0 0 "[ . 1 . 2]" 1
1028 1 52 LEU H 1 52 LEU MD2 . . 3.730 3.182 3.061 3.304 . 0 0 "[ . 1 . 2]" 1
1029 1 52 LEU H 1 52 LEU HG . . 3.200 1.933 1.888 1.950 . 0 0 "[ . 1 . 2]" 1
1030 1 52 LEU H 1 53 GLY H . . 2.820 2.585 2.532 2.616 . 0 0 "[ . 1 . 2]" 1
1031 1 52 LEU H 1 53 GLY HA2 . . 4.870 4.880 4.743 4.925 0.055 8 0 "[ . 1 . 2]" 1
1032 1 52 LEU H 1 53 GLY HA3 . . 5.230 5.215 5.143 5.243 0.013 8 0 "[ . 1 . 2]" 1
1033 1 52 LEU HA 1 52 LEU MD1 . . 3.770 3.633 3.584 3.703 . 0 0 "[ . 1 . 2]" 1
1034 1 52 LEU HB2 1 52 LEU MD2 . . 3.620 2.670 2.624 2.729 . 0 0 "[ . 1 . 2]" 1
1035 1 52 LEU HB2 1 53 GLY H . . 4.350 4.108 4.012 4.321 . 0 0 "[ . 1 . 2]" 1
1036 1 52 LEU HB3 1 52 LEU MD2 . . 3.600 1.991 1.955 2.016 . 0 0 "[ . 1 . 2]" 1
1037 1 52 LEU HB3 1 53 GLY H . . 4.580 4.308 4.251 4.459 . 0 0 "[ . 1 . 2]" 1
1038 1 52 LEU HB3 1 64 PHE HZ . . 5.260 5.149 5.033 5.248 . 0 0 "[ . 1 . 2]" 1
1039 1 52 LEU MD1 1 53 GLY H . . 3.630 3.036 2.872 3.374 . 0 0 "[ . 1 . 2]" 1
1040 1 52 LEU MD1 1 53 GLY HA3 . . 4.860 3.843 3.737 4.003 . 0 0 "[ . 1 . 2]" 1
1041 1 52 LEU MD1 1 55 PHE H . . 4.500 3.694 3.633 3.798 . 0 0 "[ . 1 . 2]" 1
1042 1 52 LEU MD1 1 55 PHE QD . . 3.350 3.257 3.196 3.361 0.011 14 0 "[ . 1 . 2]" 1
1043 1 52 LEU MD2 1 53 GLY H . . 4.860 4.493 4.353 4.863 0.003 1 0 "[ . 1 . 2]" 1
1044 1 52 LEU MD2 1 55 PHE QD . . 4.190 4.047 3.942 4.202 0.012 2 0 "[ . 1 . 2]" 1
1045 1 52 LEU MD2 1 64 PHE QD . . 4.650 4.645 4.571 4.671 0.021 13 0 "[ . 1 . 2]" 1
1046 1 52 LEU MD2 1 64 PHE QE . . 4.260 2.880 2.794 2.912 . 0 0 "[ . 1 . 2]" 1
1047 1 52 LEU MD2 1 64 PHE HZ . . 3.040 2.188 2.102 2.250 . 0 0 "[ . 1 . 2]" 1
1048 1 52 LEU MD2 1 89 ILE MG . . 4.260 3.587 3.446 3.718 . 0 0 "[ . 1 . 2]" 1
1049 1 52 LEU MD2 1 90 LYS H . . 5.290 5.284 5.147 5.331 0.041 2 0 "[ . 1 . 2]" 1
1050 1 52 LEU HG 1 53 GLY H . . 4.120 2.966 2.780 3.462 . 0 0 "[ . 1 . 2]" 1
1051 1 52 LEU HG 1 64 PHE HZ . . 4.860 4.561 4.473 4.632 . 0 0 "[ . 1 . 2]" 1
1052 1 53 GLY H 1 53 GLY HA2 . . 2.680 2.310 2.295 2.322 . 0 0 "[ . 1 . 2]" 1
1053 1 53 GLY H 1 53 GLY HA3 . . 2.950 2.864 2.810 2.887 . 0 0 "[ . 1 . 2]" 1
1054 1 53 GLY HA2 1 54 TYR H . . 3.220 3.168 3.122 3.220 . 0 0 "[ . 1 . 2]" 1
1055 1 53 GLY HA2 1 54 TYR QD . . 4.740 3.781 3.745 3.813 . 0 0 "[ . 1 . 2]" 1
1056 1 53 GLY HA2 1 54 TYR QE . . 5.500 5.520 5.471 5.558 0.058 7 0 "[ . 1 . 2]" 1
1057 1 53 GLY HA3 1 54 TYR H . . 2.710 2.148 2.138 2.160 . 0 0 "[ . 1 . 2]" 1
1058 1 54 TYR H 1 54 TYR HB2 . . 2.750 2.178 2.162 2.188 . 0 0 "[ . 1 . 2]" 1
1059 1 54 TYR H 1 54 TYR HB3 . . 3.460 3.430 3.421 3.435 . 0 0 "[ . 1 . 2]" 1
1060 1 54 TYR H 1 54 TYR QD . . 3.150 3.003 2.944 3.084 . 0 0 "[ . 1 . 2]" 1
1061 1 54 TYR H 1 55 PHE H . . 4.740 4.548 4.531 4.568 . 0 0 "[ . 1 . 2]" 1
1062 1 54 TYR HA 1 54 TYR QD . . 3.340 2.439 2.371 2.529 . 0 0 "[ . 1 . 2]" 1
1063 1 54 TYR HA 1 54 TYR QE . . 4.330 4.276 4.246 4.309 . 0 0 "[ . 1 . 2]" 1
1064 1 54 TYR HA 1 55 PHE QD . . 4.350 3.559 3.501 3.609 . 0 0 "[ . 1 . 2]" 1
1065 1 54 TYR HA 1 56 THR MG . . 5.500 5.553 5.522 5.587 0.087 3 0 "[ . 1 . 2]" 1
1066 1 54 TYR HB2 1 55 PHE H . . 4.510 4.330 4.292 4.361 . 0 0 "[ . 1 . 2]" 1
1067 1 54 TYR HB2 1 55 PHE HA . . 5.500 5.216 5.197 5.242 . 0 0 "[ . 1 . 2]" 1
1068 1 54 TYR HB3 1 55 PHE H . . 3.490 3.235 3.164 3.295 . 0 0 "[ . 1 . 2]" 1
1069 1 54 TYR QD 1 55 PHE H . . 4.180 4.108 4.060 4.148 . 0 0 "[ . 1 . 2]" 1
1070 1 54 TYR QD 1 93 GLY QA . . 5.340 5.232 4.891 5.373 0.033 16 0 "[ . 1 . 2]" 1
1071 1 54 TYR QE 1 55 PHE H . . 5.500 5.580 5.524 5.624 0.124 19 0 "[ . 1 . 2]" 1
1072 1 54 TYR QE 1 92 PHE HB2 . . 5.450 5.497 5.467 5.536 0.086 1 0 "[ . 1 . 2]" 1
1073 1 54 TYR QE 1 93 GLY HA2 . . 4.660 3.803 3.070 4.139 . 0 0 "[ . 1 . 2]" 1
1074 1 54 TYR QE 1 93 GLY QA . . 4.050 3.468 3.035 3.657 . 0 0 "[ . 1 . 2]" 1
1075 1 54 TYR QE 1 93 GLY HA3 . . 4.660 4.272 3.997 4.796 0.136 13 0 "[ . 1 . 2]" 1
1076 1 55 PHE H 1 55 PHE HB3 . . 3.940 2.965 2.934 3.018 . 0 0 "[ . 1 . 2]" 1
1077 1 55 PHE H 1 55 PHE QD . . 3.230 1.945 1.930 1.968 . 0 0 "[ . 1 . 2]" 1
1078 1 55 PHE H 1 55 PHE QE . . 4.450 4.204 4.184 4.225 . 0 0 "[ . 1 . 2]" 1
1079 1 55 PHE H 1 56 THR H . . 4.490 4.397 4.387 4.415 . 0 0 "[ . 1 . 2]" 1
1080 1 55 PHE H 1 56 THR MG . . 4.270 4.110 4.038 4.156 . 0 0 "[ . 1 . 2]" 1
1081 1 55 PHE HA 1 55 PHE QD . . 3.660 3.644 3.635 3.649 . 0 0 "[ . 1 . 2]" 1
1082 1 55 PHE HA 1 56 THR H . . 2.710 2.582 2.543 2.610 . 0 0 "[ . 1 . 2]" 1
1083 1 55 PHE HA 1 59 MET HB2 . . 5.420 4.423 4.136 4.769 . 0 0 "[ . 1 . 2]" 1
1084 1 55 PHE HA 1 59 MET HB3 . . 5.500 5.087 4.698 5.472 . 0 0 "[ . 1 . 2]" 1
1085 1 55 PHE HA 1 59 MET ME . . 5.500 4.364 3.688 5.489 . 0 0 "[ . 1 . 2]" 1
1086 1 55 PHE HA 1 59 MET HG3 . . 5.500 4.149 3.544 4.689 . 0 0 "[ . 1 . 2]" 1
1087 1 55 PHE HA 1 60 MET ME . . 4.300 4.267 4.136 4.308 0.008 18 0 "[ . 1 . 2]" 1
1088 1 55 PHE HB2 1 56 THR H . . 2.970 2.364 2.329 2.425 . 0 0 "[ . 1 . 2]" 1
1089 1 55 PHE HB2 1 59 MET HB2 . . 4.140 3.228 2.873 3.663 . 0 0 "[ . 1 . 2]" 1
1090 1 55 PHE HB2 1 59 MET HB3 . . 4.490 4.177 3.807 4.465 . 0 0 "[ . 1 . 2]" 1
1091 1 55 PHE HB2 1 59 MET HG3 . . 5.500 4.183 3.722 4.679 . 0 0 "[ . 1 . 2]" 1
1092 1 55 PHE HB2 1 60 MET ME . . 3.910 2.536 2.422 2.721 . 0 0 "[ . 1 . 2]" 1
1093 1 55 PHE HB2 1 60 MET HG2 . . 5.500 3.804 3.672 3.950 . 0 0 "[ . 1 . 2]" 1
1094 1 55 PHE HB2 1 60 MET HG3 . . 4.170 4.193 4.177 4.211 0.041 9 0 "[ . 1 . 2]" 1
1095 1 55 PHE HB3 1 56 THR H . . 3.840 3.759 3.727 3.807 . 0 0 "[ . 1 . 2]" 1
1096 1 55 PHE HB3 1 60 MET ME . . 3.960 3.162 2.961 3.362 . 0 0 "[ . 1 . 2]" 1
1097 1 55 PHE QD 1 56 THR H . . 3.210 3.000 2.909 3.092 . 0 0 "[ . 1 . 2]" 1
1098 1 55 PHE QD 1 56 THR HA . . 4.150 4.128 4.102 4.175 0.025 19 0 "[ . 1 . 2]" 1
1099 1 55 PHE QD 1 59 MET H . . 4.440 4.255 4.101 4.424 . 0 0 "[ . 1 . 2]" 1
1100 1 55 PHE QD 1 59 MET HB2 . . 3.850 3.293 3.090 3.561 . 0 0 "[ . 1 . 2]" 1
1101 1 55 PHE QD 1 60 MET H . . 4.790 4.652 4.510 4.746 . 0 0 "[ . 1 . 2]" 1
1102 1 55 PHE QD 1 60 MET HB2 . . 5.190 4.004 3.911 4.047 . 0 0 "[ . 1 . 2]" 1
1103 1 55 PHE QD 1 60 MET HG2 . . 3.750 2.530 2.339 2.615 . 0 0 "[ . 1 . 2]" 1
1104 1 55 PHE QD 1 64 PHE QD . . 4.670 4.643 4.518 4.684 0.014 8 0 "[ . 1 . 2]" 1
1105 1 55 PHE QD 1 64 PHE HZ . . 5.500 5.523 5.504 5.540 0.040 13 0 "[ . 1 . 2]" 1
1106 1 55 PHE QD 1 68 ALA MB . . 3.900 3.835 3.702 3.918 0.018 1 0 "[ . 1 . 2]" 1
1107 1 55 PHE QD 1 89 ILE MG . . 5.330 5.260 5.157 5.321 . 0 0 "[ . 1 . 2]" 1
1108 1 55 PHE QE 1 56 THR H . . 4.650 4.585 4.490 4.669 0.019 12 0 "[ . 1 . 2]" 1
1109 1 55 PHE QE 1 59 MET H . . 5.110 5.127 5.095 5.150 0.040 9 0 "[ . 1 . 2]" 1
1110 1 55 PHE QE 1 65 GLU H . . 5.030 4.965 4.738 5.053 0.023 16 0 "[ . 1 . 2]" 1
1111 1 55 PHE QE 1 65 GLU HA . . 3.500 2.467 2.272 2.570 . 0 0 "[ . 1 . 2]" 1
1112 1 55 PHE QE 1 65 GLU QB . . 4.010 3.502 3.265 3.832 . 0 0 "[ . 1 . 2]" 1
1113 1 55 PHE QE 1 65 GLU QG . . 4.790 2.677 2.297 3.459 . 0 0 "[ . 1 . 2]" 1
1114 1 55 PHE QE 1 68 ALA MB . . 2.820 2.405 2.158 2.518 . 0 0 "[ . 1 . 2]" 1
1115 1 55 PHE QE 1 69 PHE QD . . 4.180 3.198 2.872 3.465 . 0 0 "[ . 1 . 2]" 1
1116 1 55 PHE HZ 1 60 MET HG3 . . 5.500 5.186 5.056 5.342 . 0 0 "[ . 1 . 2]" 1
1117 1 55 PHE HZ 1 68 ALA MB . . 4.220 2.106 1.999 2.217 . 0 0 "[ . 1 . 2]" 1
1118 1 55 PHE HZ 1 69 PHE HA . . 4.420 3.841 3.421 4.097 . 0 0 "[ . 1 . 2]" 1
1119 1 55 PHE HZ 1 69 PHE QD . . 3.600 2.218 1.988 2.643 . 0 0 "[ . 1 . 2]" 1
1120 1 56 THR H 1 56 THR HB . . 4.020 3.947 3.924 3.957 . 0 0 "[ . 1 . 2]" 1
1121 1 56 THR H 1 56 THR MG . . 2.960 2.896 2.840 2.965 0.005 15 0 "[ . 1 . 2]" 1
1122 1 56 THR H 1 57 LYS H . . 4.490 4.388 4.362 4.410 . 0 0 "[ . 1 . 2]" 1
1123 1 56 THR H 1 59 MET H . . 4.570 4.238 3.833 4.543 . 0 0 "[ . 1 . 2]" 1
1124 1 56 THR H 1 59 MET HB2 . . 3.760 2.856 2.612 3.072 . 0 0 "[ . 1 . 2]" 1
1125 1 56 THR H 1 59 MET HG3 . . 3.610 2.865 2.437 3.489 . 0 0 "[ . 1 . 2]" 1
1126 1 56 THR HA 1 56 THR MG . . 3.280 2.442 2.398 2.478 . 0 0 "[ . 1 . 2]" 1
1127 1 56 THR HA 1 57 LYS H . . 2.860 2.577 2.462 2.654 . 0 0 "[ . 1 . 2]" 1
1128 1 56 THR HA 1 57 LYS QG . . 5.340 3.661 3.556 3.776 . 0 0 "[ . 1 . 2]" 1
1129 1 56 THR HB 1 57 LYS H . . 2.650 2.124 2.007 2.324 . 0 0 "[ . 1 . 2]" 1
1130 1 56 THR HG1 1 57 LYS H . . 3.150 2.941 2.675 3.167 0.017 15 0 "[ . 1 . 2]" 1
1131 1 56 THR HG1 1 59 MET H . . 4.690 4.213 3.587 4.538 . 0 0 "[ . 1 . 2]" 1
1132 1 57 LYS H 1 57 LYS HB2 . . 2.790 2.619 2.509 2.670 . 0 0 "[ . 1 . 2]" 1
1133 1 57 LYS H 1 57 LYS HG2 . . 3.520 2.821 2.542 3.587 0.067 12 0 "[ . 1 . 2]" 1
1134 1 57 LYS H 1 57 LYS QG . . 2.870 2.277 2.065 2.506 . 0 0 "[ . 1 . 2]" 1
1135 1 57 LYS H 1 57 LYS HG3 . . 3.520 2.424 2.078 2.688 . 0 0 "[ . 1 . 2]" 1
1136 1 57 LYS H 1 58 GLY H . . 4.410 4.352 4.244 4.403 . 0 0 "[ . 1 . 2]" 1
1137 1 57 LYS H 1 58 GLY QA . . 5.010 4.979 4.915 5.053 0.043 12 0 "[ . 1 . 2]" 1
1138 1 57 LYS HA 1 57 LYS HB3 . . 2.990 2.398 2.371 2.450 . 0 0 "[ . 1 . 2]" 1
1139 1 57 LYS HA 1 57 LYS HD2 . . 5.450 4.063 3.554 4.938 . 0 0 "[ . 1 . 2]" 1
1140 1 57 LYS HA 1 57 LYS QD . . 4.600 3.646 3.440 4.228 . 0 0 "[ . 1 . 2]" 1
1141 1 57 LYS HA 1 57 LYS HD3 . . 5.450 4.300 3.860 4.738 . 0 0 "[ . 1 . 2]" 1
1142 1 57 LYS HA 1 57 LYS QG . . 3.670 2.498 2.397 2.566 . 0 0 "[ . 1 . 2]" 1
1143 1 57 LYS HA 1 59 MET H . . 3.750 3.571 3.510 3.676 . 0 0 "[ . 1 . 2]" 1
1144 1 57 LYS HA 1 60 MET H . . 4.810 4.754 4.631 4.826 0.016 20 0 "[ . 1 . 2]" 1
1145 1 57 LYS HA 1 65 GLU QG . . 5.090 2.527 1.990 3.018 . 0 0 "[ . 1 . 2]" 1
1146 1 57 LYS HA 1 69 PHE QE . . 3.440 3.342 3.059 3.492 0.052 12 0 "[ . 1 . 2]" 1
1147 1 57 LYS HB3 1 69 PHE QD . . 5.500 5.459 5.275 5.516 0.016 16 0 "[ . 1 . 2]" 1
1148 1 57 LYS HB3 1 69 PHE QE . . 4.280 3.683 3.472 3.915 . 0 0 "[ . 1 . 2]" 1
1149 1 57 LYS QD 1 69 PHE QD . . 4.290 3.875 3.561 4.296 0.006 12 0 "[ . 1 . 2]" 1
1150 1 57 LYS QD 1 69 PHE QE . . 3.510 2.519 2.214 3.541 0.031 12 0 "[ . 1 . 2]" 1
1151 1 57 LYS QD 1 69 PHE HZ . . 3.620 2.754 2.555 3.622 0.002 12 0 "[ . 1 . 2]" 1
1152 1 57 LYS QE 1 69 PHE QE . . 4.340 3.894 2.787 4.322 . 0 0 "[ . 1 . 2]" 1
1153 1 57 LYS QG 1 69 PHE QD . . 5.080 3.141 2.974 3.461 . 0 0 "[ . 1 . 2]" 1
1154 1 57 LYS QG 1 69 PHE QE . . 3.830 2.347 2.096 2.813 . 0 0 "[ . 1 . 2]" 1
1155 1 58 GLY H 1 59 MET H . . 3.120 1.917 1.891 1.977 . 0 0 "[ . 1 . 2]" 1
1156 1 58 GLY H 1 60 MET H . . 4.390 2.944 2.806 3.050 . 0 0 "[ . 1 . 2]" 1
1157 1 58 GLY QA 1 59 MET HG2 . . 4.690 3.785 3.688 3.963 . 0 0 "[ . 1 . 2]" 1
1158 1 59 MET H 1 59 MET HB2 . . 3.050 2.577 2.490 2.672 . 0 0 "[ . 1 . 2]" 1
1159 1 59 MET H 1 59 MET HB3 . . 3.720 3.725 3.659 3.758 0.038 20 0 "[ . 1 . 2]" 1
1160 1 59 MET H 1 59 MET HG2 . . 3.230 2.962 2.538 3.235 0.005 20 0 "[ . 1 . 2]" 1
1161 1 59 MET H 1 60 MET H . . 2.870 2.111 1.967 2.374 . 0 0 "[ . 1 . 2]" 1
1162 1 59 MET H 1 60 MET HB2 . . 4.630 4.259 4.135 4.527 . 0 0 "[ . 1 . 2]" 1
1163 1 59 MET H 1 60 MET HG2 . . 3.990 3.535 3.475 3.620 . 0 0 "[ . 1 . 2]" 1
1164 1 59 MET HA 1 59 MET HG2 . . 3.320 2.706 2.478 2.943 . 0 0 "[ . 1 . 2]" 1
1165 1 59 MET HB2 1 60 MET H . . 3.590 3.601 3.592 3.613 0.023 20 0 "[ . 1 . 2]" 1
1166 1 59 MET ME 1 59 MET HG2 . . 3.780 2.938 2.056 3.396 . 0 0 "[ . 1 . 2]" 1
1167 1 59 MET ME 1 59 MET HG3 . . 3.790 2.428 2.012 3.338 . 0 0 "[ . 1 . 2]" 1
1168 1 59 MET HG2 1 60 MET H . . 4.820 4.642 4.542 4.774 . 0 0 "[ . 1 . 2]" 1
1169 1 59 MET HG3 1 60 MET H . . 5.500 5.329 4.719 5.513 0.013 18 0 "[ . 1 . 2]" 1
1170 1 60 MET H 1 60 MET HB2 . . 3.490 2.815 2.775 2.844 . 0 0 "[ . 1 . 2]" 1
1171 1 60 MET H 1 60 MET HG2 . . 2.970 2.907 2.862 2.942 . 0 0 "[ . 1 . 2]" 1
1172 1 60 MET H 1 61 VAL H . . 4.440 4.335 4.325 4.345 . 0 0 "[ . 1 . 2]" 1
1173 1 60 MET H 1 64 PHE QD . . 5.500 5.226 5.118 5.307 . 0 0 "[ . 1 . 2]" 1
1174 1 60 MET HA 1 61 VAL H . . 2.740 2.724 2.715 2.736 . 0 0 "[ . 1 . 2]" 1
1175 1 60 MET HA 1 61 VAL MG1 . . 4.870 3.584 3.557 3.607 . 0 0 "[ . 1 . 2]" 1
1176 1 60 MET HA 1 61 VAL MG2 . . 5.500 4.381 4.350 4.415 . 0 0 "[ . 1 . 2]" 1
1177 1 60 MET HA 1 64 PHE QD . . 4.820 4.576 4.511 4.640 . 0 0 "[ . 1 . 2]" 1
1178 1 60 MET HB2 1 61 VAL H . . 3.040 2.886 2.832 2.919 . 0 0 "[ . 1 . 2]" 1
1179 1 60 MET HB2 1 64 PHE QD . . 3.690 2.459 2.330 2.589 . 0 0 "[ . 1 . 2]" 1
1180 1 60 MET HB2 1 65 GLU H . . 4.210 3.201 3.105 3.313 . 0 0 "[ . 1 . 2]" 1
1181 1 60 MET HB3 1 61 VAL H . . 3.430 1.942 1.934 1.950 . 0 0 "[ . 1 . 2]" 1
1182 1 60 MET HB3 1 64 PHE HB2 . . 5.380 4.393 4.361 4.425 . 0 0 "[ . 1 . 2]" 1
1183 1 60 MET HB3 1 64 PHE QD . . 3.630 2.248 2.158 2.342 . 0 0 "[ . 1 . 2]" 1
1184 1 60 MET HB3 1 64 PHE QE . . 4.260 3.467 3.392 3.520 . 0 0 "[ . 1 . 2]" 1
1185 1 60 MET HB3 1 65 GLU H . . 4.170 3.631 3.571 3.695 . 0 0 "[ . 1 . 2]" 1
1186 1 60 MET ME 1 61 VAL H . . 5.490 5.388 5.282 5.440 . 0 0 "[ . 1 . 2]" 1
1187 1 60 MET HG3 1 64 PHE QD . . 4.730 2.591 2.527 2.668 . 0 0 "[ . 1 . 2]" 1
1188 1 60 MET HG3 1 64 PHE QE . . 4.310 2.045 1.986 2.209 . 0 0 "[ . 1 . 2]" 1
1189 1 61 VAL H 1 61 VAL HB . . 3.830 3.696 3.686 3.705 . 0 0 "[ . 1 . 2]" 1
1190 1 61 VAL H 1 61 VAL MG2 . . 2.570 2.084 2.072 2.098 . 0 0 "[ . 1 . 2]" 1
1191 1 61 VAL H 1 62 LYS H . . 4.590 4.550 4.532 4.569 . 0 0 "[ . 1 . 2]" 1
1192 1 61 VAL H 1 64 PHE H . . 5.050 5.092 5.066 5.118 0.068 20 0 "[ . 1 . 2]" 1
1193 1 61 VAL H 1 64 PHE HB2 . . 4.060 4.086 4.064 4.116 0.056 17 0 "[ . 1 . 2]" 1
1194 1 61 VAL H 1 64 PHE HB3 . . 4.530 2.744 2.721 2.766 . 0 0 "[ . 1 . 2]" 1
1195 1 61 VAL H 1 64 PHE QD . . 4.080 3.495 3.423 3.557 . 0 0 "[ . 1 . 2]" 1
1196 1 61 VAL H 1 65 GLU H . . 4.580 3.626 3.585 3.670 . 0 0 "[ . 1 . 2]" 1
1197 1 61 VAL H 1 65 GLU HA . . 5.410 5.338 5.206 5.419 0.009 1 0 "[ . 1 . 2]" 1
1198 1 61 VAL H 1 84 PHE QE . . 4.850 4.787 4.693 4.848 . 0 0 "[ . 1 . 2]" 1
1199 1 61 VAL HA 1 61 VAL MG1 . . 3.210 2.328 2.315 2.340 . 0 0 "[ . 1 . 2]" 1
1200 1 61 VAL HA 1 61 VAL MG2 . . 3.610 3.199 3.197 3.200 . 0 0 "[ . 1 . 2]" 1
1201 1 61 VAL HA 1 62 LYS H . . 2.540 2.436 2.376 2.477 . 0 0 "[ . 1 . 2]" 1
1202 1 61 VAL HA 1 84 PHE QE . . 5.500 5.458 5.318 5.510 0.010 14 0 "[ . 1 . 2]" 1
1203 1 61 VAL HB 1 62 LYS H . . 3.040 2.343 2.262 2.470 . 0 0 "[ . 1 . 2]" 1
1204 1 61 VAL HB 1 63 PRO HD2 . . 4.270 2.206 2.168 2.227 . 0 0 "[ . 1 . 2]" 1
1205 1 61 VAL HB 1 63 PRO QD . . 3.660 2.193 2.156 2.214 . 0 0 "[ . 1 . 2]" 1
1206 1 61 VAL HB 1 63 PRO HD3 . . 4.270 3.854 3.815 3.872 . 0 0 "[ . 1 . 2]" 1
1207 1 61 VAL HB 1 84 PHE QE . . 4.240 4.221 4.038 4.249 0.009 2 0 "[ . 1 . 2]" 1
1208 1 61 VAL MG1 1 84 PHE QE . . 2.970 2.020 1.917 2.079 . 0 0 "[ . 1 . 2]" 1
1209 1 61 VAL MG1 1 84 PHE HZ . . 3.510 3.186 3.038 3.269 . 0 0 "[ . 1 . 2]" 1
1210 1 61 VAL MG2 1 62 LYS H . . 3.330 3.162 3.072 3.303 . 0 0 "[ . 1 . 2]" 1
1211 1 61 VAL MG2 1 63 PRO QD . . 3.950 2.208 2.149 2.318 . 0 0 "[ . 1 . 2]" 1
1212 1 61 VAL MG2 1 64 PHE H . . 3.110 3.195 3.181 3.217 0.107 16 0 "[ . 1 . 2]" 1
1213 1 61 VAL MG2 1 64 PHE HA . . 4.950 4.029 3.975 4.073 . 0 0 "[ . 1 . 2]" 1
1214 1 61 VAL MG2 1 64 PHE HB2 . . 3.840 2.425 2.375 2.485 . 0 0 "[ . 1 . 2]" 1
1215 1 61 VAL MG2 1 64 PHE HB3 . . 3.270 2.085 2.047 2.124 . 0 0 "[ . 1 . 2]" 1
1216 1 61 VAL MG2 1 64 PHE QD . . 3.820 3.580 3.521 3.625 . 0 0 "[ . 1 . 2]" 1
1217 1 61 VAL MG2 1 65 GLU H . . 3.960 3.367 3.342 3.384 . 0 0 "[ . 1 . 2]" 1
1218 1 61 VAL MG2 1 66 ASP H . . 5.270 5.264 5.162 5.312 0.042 15 0 "[ . 1 . 2]" 1
1219 1 61 VAL MG2 1 82 SER HA . . 5.500 5.517 5.508 5.528 0.028 9 0 "[ . 1 . 2]" 1
1220 1 61 VAL MG2 1 82 SER HB2 . . 4.420 3.861 3.535 4.049 . 0 0 "[ . 1 . 2]" 1
1221 1 61 VAL MG2 1 82 SER QB . . 3.880 3.400 3.269 3.620 . 0 0 "[ . 1 . 2]" 1
1222 1 61 VAL MG2 1 82 SER HB3 . . 4.420 3.817 3.550 4.102 . 0 0 "[ . 1 . 2]" 1
1223 1 61 VAL MG2 1 83 GLU H . . 4.780 4.775 4.717 4.804 0.024 16 0 "[ . 1 . 2]" 1
1224 1 61 VAL MG2 1 84 PHE H . . 5.080 5.017 4.891 5.085 0.005 16 0 "[ . 1 . 2]" 1
1225 1 61 VAL MG2 1 84 PHE QE . . 3.170 3.034 2.907 3.123 . 0 0 "[ . 1 . 2]" 1
1226 1 61 VAL MG2 1 87 HIS HE1 . . 4.100 4.016 3.932 4.105 0.005 15 0 "[ . 1 . 2]" 1
1227 1 62 LYS H 1 62 LYS QB . . 2.690 2.132 2.122 2.151 . 0 0 "[ . 1 . 2]" 1
1228 1 62 LYS H 1 62 LYS QG . . 4.200 3.811 3.790 3.853 . 0 0 "[ . 1 . 2]" 1
1229 1 62 LYS H 1 63 PRO QD . . 3.130 2.083 2.051 2.140 . 0 0 "[ . 1 . 2]" 1
1230 1 62 LYS H 1 64 PHE H . . 4.800 4.800 4.777 4.822 0.022 1 0 "[ . 1 . 2]" 1
1231 1 62 LYS H 1 65 GLU H . . 4.980 4.973 4.910 5.015 0.035 4 0 "[ . 1 . 2]" 1
1232 1 62 LYS HA 1 62 LYS QD . . 4.340 3.666 2.307 4.281 . 0 0 "[ . 1 . 2]" 1
1233 1 62 LYS HA 1 64 PHE H . . 4.000 3.720 3.704 3.734 . 0 0 "[ . 1 . 2]" 1
1234 1 62 LYS HA 1 65 GLU H . . 4.100 4.009 3.941 4.055 . 0 0 "[ . 1 . 2]" 1
1235 1 62 LYS HA 1 66 ASP H . . 3.860 3.848 3.746 3.900 0.040 14 0 "[ . 1 . 2]" 1
1236 1 62 LYS HA 1 66 ASP HB2 . . 5.350 4.368 4.072 4.775 . 0 0 "[ . 1 . 2]" 1
1237 1 62 LYS QB 1 63 PRO QD . . 3.560 1.863 1.836 1.876 . 0 0 "[ . 1 . 2]" 1
1238 1 62 LYS QG 1 63 PRO QD . . 3.290 1.994 1.948 2.154 . 0 0 "[ . 1 . 2]" 1
1239 1 62 LYS QG 1 64 PHE H . . 4.510 4.061 4.016 4.228 . 0 0 "[ . 1 . 2]" 1
1240 1 63 PRO HB2 1 64 PHE H . . 4.330 4.346 4.344 4.349 0.019 16 0 "[ . 1 . 2]" 1
1241 1 63 PRO HB2 1 64 PHE HB2 . . 4.540 4.403 4.373 4.430 . 0 0 "[ . 1 . 2]" 1
1242 1 63 PRO HB2 1 80 ILE MG . . 3.430 2.145 1.970 2.546 . 0 0 "[ . 1 . 2]" 1
1243 1 63 PRO HB2 1 82 SER QB . . 4.250 2.553 2.199 2.997 . 0 0 "[ . 1 . 2]" 1
1244 1 63 PRO HB2 1 87 HIS HD2 . . 4.450 4.128 3.937 4.452 0.002 1 0 "[ . 1 . 2]" 1
1245 1 63 PRO QD 1 64 PHE H . . 3.940 3.863 3.847 3.879 . 0 0 "[ . 1 . 2]" 1
1246 1 63 PRO QG 1 82 SER HA . . 4.100 3.556 3.450 3.720 . 0 0 "[ . 1 . 2]" 1
1247 1 63 PRO QG 1 82 SER QB . . 3.860 2.344 2.057 2.866 . 0 0 "[ . 1 . 2]" 1
1248 1 63 PRO QG 1 83 GLU H . . 4.240 3.689 3.619 3.756 . 0 0 "[ . 1 . 2]" 1
1249 1 63 PRO HG2 1 83 GLU H . . 4.860 4.324 4.270 4.382 . 0 0 "[ . 1 . 2]" 1
1250 1 63 PRO HG3 1 83 GLU H . . 4.860 4.001 3.909 4.086 . 0 0 "[ . 1 . 2]" 1
1251 1 64 PHE H 1 64 PHE HB2 . . 3.500 3.525 3.511 3.536 0.036 1 0 "[ . 1 . 2]" 1
1252 1 64 PHE H 1 64 PHE HB3 . . 3.030 3.043 3.025 3.063 0.033 17 0 "[ . 1 . 2]" 1
1253 1 64 PHE H 1 64 PHE QD . . 4.380 4.351 4.332 4.369 . 0 0 "[ . 1 . 2]" 1
1254 1 64 PHE H 1 65 GLU H . . 2.950 2.403 2.351 2.451 . 0 0 "[ . 1 . 2]" 1
1255 1 64 PHE H 1 65 GLU QB . . 3.870 3.813 3.755 3.868 . 0 0 "[ . 1 . 2]" 1
1256 1 64 PHE H 1 66 ASP H . . 4.330 2.839 2.659 2.965 . 0 0 "[ . 1 . 2]" 1
1257 1 64 PHE H 1 66 ASP HB2 . . 5.410 4.371 3.841 4.699 . 0 0 "[ . 1 . 2]" 1
1258 1 64 PHE H 1 67 ALA H . . 4.330 3.683 3.480 3.873 . 0 0 "[ . 1 . 2]" 1
1259 1 64 PHE H 1 80 ILE MG . . 4.590 4.261 4.026 4.504 . 0 0 "[ . 1 . 2]" 1
1260 1 64 PHE HA 1 64 PHE QD . . 3.770 3.052 3.040 3.081 . 0 0 "[ . 1 . 2]" 1
1261 1 64 PHE HA 1 65 GLU QB . . 5.500 5.221 5.218 5.226 . 0 0 "[ . 1 . 2]" 1
1262 1 64 PHE HA 1 66 ASP H . . 4.770 4.570 4.381 4.756 . 0 0 "[ . 1 . 2]" 1
1263 1 64 PHE HA 1 67 ALA H . . 3.990 3.662 3.542 3.851 . 0 0 "[ . 1 . 2]" 1
1264 1 64 PHE HA 1 80 ILE HB . . 4.410 4.210 4.085 4.360 . 0 0 "[ . 1 . 2]" 1
1265 1 64 PHE HA 1 89 ILE MD . . 4.360 2.642 2.546 2.764 . 0 0 "[ . 1 . 2]" 1
1266 1 64 PHE HB2 1 65 GLU H . . 3.770 3.690 3.663 3.718 . 0 0 "[ . 1 . 2]" 1
1267 1 64 PHE HB2 1 80 ILE MG . . 5.500 4.587 4.476 4.729 . 0 0 "[ . 1 . 2]" 1
1268 1 64 PHE HB2 1 87 HIS HD2 . . 4.860 4.450 4.361 4.573 . 0 0 "[ . 1 . 2]" 1
1269 1 64 PHE HB2 1 87 HIS HE1 . . 5.500 4.501 4.458 4.564 . 0 0 "[ . 1 . 2]" 1
1270 1 64 PHE HB3 1 65 GLU H . . 3.510 2.212 2.173 2.260 . 0 0 "[ . 1 . 2]" 1
1271 1 64 PHE HB3 1 87 HIS HE1 . . 5.500 5.538 5.515 5.561 0.061 18 0 "[ . 1 . 2]" 1
1272 1 64 PHE QD 1 65 GLU H . . 3.560 2.617 2.531 2.722 . 0 0 "[ . 1 . 2]" 1
1273 1 64 PHE QD 1 65 GLU HA . . 3.720 2.624 2.565 2.666 . 0 0 "[ . 1 . 2]" 1
1274 1 64 PHE QD 1 65 GLU QB . . 3.990 3.190 3.066 3.316 . 0 0 "[ . 1 . 2]" 1
1275 1 64 PHE QD 1 65 GLU QG . . 4.840 4.479 4.218 4.848 0.008 16 0 "[ . 1 . 2]" 1
1276 1 64 PHE QD 1 66 ASP H . . 5.500 4.936 4.820 5.015 . 0 0 "[ . 1 . 2]" 1
1277 1 64 PHE QD 1 68 ALA H . . 5.420 5.429 5.366 5.469 0.049 18 0 "[ . 1 . 2]" 1
1278 1 64 PHE QD 1 68 ALA MB . . 3.460 3.000 2.884 3.081 . 0 0 "[ . 1 . 2]" 1
1279 1 64 PHE QD 1 80 ILE HG13 . . 5.500 5.362 5.217 5.519 0.019 19 0 "[ . 1 . 2]" 1
1280 1 64 PHE QD 1 80 ILE MG . . 5.500 5.194 5.105 5.296 . 0 0 "[ . 1 . 2]" 1
1281 1 64 PHE QD 1 84 PHE QD . . 5.500 5.510 5.491 5.524 0.024 20 0 "[ . 1 . 2]" 1
1282 1 64 PHE QD 1 87 HIS HB2 . . 4.520 3.071 2.974 3.169 . 0 0 "[ . 1 . 2]" 1
1283 1 64 PHE QD 1 87 HIS HB3 . . 4.420 2.065 1.999 2.183 . 0 0 "[ . 1 . 2]" 1
1284 1 64 PHE QD 1 87 HIS HD2 . . 4.420 4.421 4.342 4.448 0.028 13 0 "[ . 1 . 2]" 1
1285 1 64 PHE QD 1 87 HIS HE1 . . 4.050 4.024 3.973 4.064 0.014 9 0 "[ . 1 . 2]" 1
1286 1 64 PHE QD 1 89 ILE MD . . 3.830 2.864 2.782 2.925 . 0 0 "[ . 1 . 2]" 1
1287 1 64 PHE QD 1 89 ILE HG12 . . 4.360 3.491 3.442 3.571 . 0 0 "[ . 1 . 2]" 1
1288 1 64 PHE QD 1 89 ILE MG . . 4.750 4.497 4.424 4.553 . 0 0 "[ . 1 . 2]" 1
1289 1 64 PHE QE 1 65 GLU H . . 5.500 4.906 4.830 4.999 . 0 0 "[ . 1 . 2]" 1
1290 1 64 PHE QE 1 68 ALA MB . . 3.140 2.870 2.732 3.014 . 0 0 "[ . 1 . 2]" 1
1291 1 64 PHE QE 1 87 HIS HB2 . . 5.290 4.708 4.612 4.835 . 0 0 "[ . 1 . 2]" 1
1292 1 64 PHE QE 1 87 HIS HB3 . . 4.210 3.049 2.947 3.182 . 0 0 "[ . 1 . 2]" 1
1293 1 64 PHE QE 1 87 HIS HE1 . . 4.920 4.855 4.777 4.921 0.001 12 0 "[ . 1 . 2]" 1
1294 1 64 PHE QE 1 88 ILE H . . 4.560 4.512 4.353 4.574 0.014 18 0 "[ . 1 . 2]" 1
1295 1 64 PHE QE 1 89 ILE H . . 5.080 4.694 4.613 4.788 . 0 0 "[ . 1 . 2]" 1
1296 1 64 PHE QE 1 89 ILE HA . . 4.210 4.014 3.952 4.071 . 0 0 "[ . 1 . 2]" 1
1297 1 64 PHE QE 1 89 ILE HG12 . . 3.520 2.910 2.836 3.024 . 0 0 "[ . 1 . 2]" 1
1298 1 64 PHE QE 1 89 ILE HG13 . . 3.920 2.436 2.383 2.478 . 0 0 "[ . 1 . 2]" 1
1299 1 64 PHE QE 1 89 ILE MG . . 3.430 3.442 3.392 3.464 0.034 17 0 "[ . 1 . 2]" 1
1300 1 64 PHE HZ 1 68 ALA MB . . 3.950 3.852 3.749 3.970 0.020 19 0 "[ . 1 . 2]" 1
1301 1 64 PHE HZ 1 87 HIS HB3 . . 5.500 5.382 5.291 5.498 . 0 0 "[ . 1 . 2]" 1
1302 1 64 PHE HZ 1 89 ILE HA . . 4.590 4.490 4.387 4.595 0.005 14 0 "[ . 1 . 2]" 1
1303 1 64 PHE HZ 1 89 ILE MD . . 4.550 4.535 4.473 4.557 0.007 16 0 "[ . 1 . 2]" 1
1304 1 64 PHE HZ 1 89 ILE HG12 . . 3.880 3.181 3.124 3.221 . 0 0 "[ . 1 . 2]" 1
1305 1 64 PHE HZ 1 89 ILE HG13 . . 4.640 3.705 3.471 3.779 . 0 0 "[ . 1 . 2]" 1
1306 1 64 PHE HZ 1 89 ILE MG . . 3.600 3.073 3.010 3.106 . 0 0 "[ . 1 . 2]" 1
1307 1 65 GLU H 1 65 GLU QB . . 2.750 2.245 2.223 2.250 . 0 0 "[ . 1 . 2]" 1
1308 1 65 GLU H 1 65 GLU QG . . 4.150 3.972 3.928 4.025 . 0 0 "[ . 1 . 2]" 1
1309 1 65 GLU H 1 66 ASP H . . 3.330 2.853 2.747 2.901 . 0 0 "[ . 1 . 2]" 1
1310 1 65 GLU H 1 68 ALA H . . 5.470 5.361 5.211 5.457 . 0 0 "[ . 1 . 2]" 1
1311 1 65 GLU HA 1 67 ALA H . . 4.790 4.470 4.109 4.780 . 0 0 "[ . 1 . 2]" 1
1312 1 65 GLU HA 1 68 ALA H . . 3.870 3.750 3.632 3.820 . 0 0 "[ . 1 . 2]" 1
1313 1 65 GLU HA 1 68 ALA MB . . 3.880 2.096 1.936 2.184 . 0 0 "[ . 1 . 2]" 1
1314 1 65 GLU QB 1 66 ASP H . . 2.880 2.487 2.396 2.649 . 0 0 "[ . 1 . 2]" 1
1315 1 65 GLU QB 1 67 ALA H . . 5.140 4.822 4.541 5.143 0.003 1 0 "[ . 1 . 2]" 1
1316 1 65 GLU QB 1 69 PHE QE . . 4.210 4.042 3.745 4.219 0.009 4 0 "[ . 1 . 2]" 1
1317 1 65 GLU QG 1 66 ASP HA . . 4.530 3.550 3.250 4.193 . 0 0 "[ . 1 . 2]" 1
1318 1 65 GLU QG 1 69 PHE QD . . 3.650 3.374 2.860 3.663 0.013 16 0 "[ . 1 . 2]" 1
1319 1 65 GLU QG 1 69 PHE QE . . 3.700 1.983 1.918 2.203 . 0 0 "[ . 1 . 2]" 1
1320 1 66 ASP H 1 66 ASP HB2 . . 3.000 2.464 2.237 2.728 . 0 0 "[ . 1 . 2]" 1
1321 1 66 ASP H 1 66 ASP HB3 . . 3.240 2.610 2.353 2.870 . 0 0 "[ . 1 . 2]" 1
1322 1 66 ASP H 1 67 ALA H . . 3.210 2.837 2.688 2.957 . 0 0 "[ . 1 . 2]" 1
1323 1 66 ASP H 1 68 ALA MB . . 5.040 4.350 4.144 4.495 . 0 0 "[ . 1 . 2]" 1
1324 1 66 ASP H 1 69 PHE QE . . 5.400 4.872 4.495 5.039 . 0 0 "[ . 1 . 2]" 1
1325 1 66 ASP HA 1 69 PHE H . . 4.900 4.722 4.585 4.840 . 0 0 "[ . 1 . 2]" 1
1326 1 66 ASP HA 1 69 PHE QD . . 5.500 4.678 4.477 4.838 . 0 0 "[ . 1 . 2]" 1
1327 1 66 ASP HA 1 69 PHE QE . . 4.690 3.194 2.991 3.407 . 0 0 "[ . 1 . 2]" 1
1328 1 66 ASP HA 1 70 LYS H . . 5.500 5.518 5.389 5.572 0.072 19 0 "[ . 1 . 2]" 1
1329 1 66 ASP HB3 1 67 ALA H . . 2.980 2.507 2.216 2.840 . 0 0 "[ . 1 . 2]" 1
1330 1 66 ASP HB3 1 67 ALA HA . . 5.500 4.458 4.160 4.702 . 0 0 "[ . 1 . 2]" 1
1331 1 66 ASP HB3 1 68 ALA H . . 5.150 4.887 4.616 5.111 . 0 0 "[ . 1 . 2]" 1
1332 1 67 ALA H 1 67 ALA MB . . 2.580 2.306 2.210 2.405 . 0 0 "[ . 1 . 2]" 1
1333 1 67 ALA H 1 68 ALA H . . 2.920 2.904 2.789 2.983 0.063 12 0 "[ . 1 . 2]" 1
1334 1 67 ALA H 1 69 PHE H . . 4.830 4.748 4.579 4.834 0.004 9 0 "[ . 1 . 2]" 1
1335 1 67 ALA H 1 70 LYS QB . . 5.340 5.166 4.927 5.382 0.042 5 0 "[ . 1 . 2]" 1
1336 1 67 ALA H 1 70 LYS QD . . 4.370 4.012 3.809 4.366 . 0 0 "[ . 1 . 2]" 1
1337 1 67 ALA H 1 70 LYS QE . . 5.500 5.098 4.369 5.580 0.080 14 0 "[ . 1 . 2]" 1
1338 1 67 ALA H 1 80 ILE MD . . 5.370 5.021 4.678 5.202 . 0 0 "[ . 1 . 2]" 1
1339 1 67 ALA H 1 80 ILE MG . . 5.110 5.059 4.893 5.135 0.025 18 0 "[ . 1 . 2]" 1
1340 1 67 ALA H 1 89 ILE MD . . 4.230 3.848 3.745 4.042 . 0 0 "[ . 1 . 2]" 1
1341 1 67 ALA HA 1 69 PHE H . . 4.590 3.751 3.639 4.064 . 0 0 "[ . 1 . 2]" 1
1342 1 67 ALA HA 1 70 LYS H . . 3.590 3.208 3.022 3.408 . 0 0 "[ . 1 . 2]" 1
1343 1 67 ALA HA 1 70 LYS QB . . 3.830 2.903 2.207 3.274 . 0 0 "[ . 1 . 2]" 1
1344 1 67 ALA HA 1 70 LYS QD . . 4.140 2.026 1.934 2.190 . 0 0 "[ . 1 . 2]" 1
1345 1 67 ALA HA 1 70 LYS QE . . 4.070 3.174 2.422 3.926 . 0 0 "[ . 1 . 2]" 1
1346 1 67 ALA HA 1 70 LYS HG2 . . 4.340 2.632 1.983 4.432 0.092 19 0 "[ . 1 . 2]" 1
1347 1 67 ALA HA 1 70 LYS QG . . 3.690 2.310 1.973 3.183 . 0 0 "[ . 1 . 2]" 1
1348 1 67 ALA HA 1 70 LYS HG3 . . 4.340 3.485 3.197 3.777 . 0 0 "[ . 1 . 2]" 1
1349 1 67 ALA HA 1 80 ILE MD . . 5.500 5.298 5.013 5.519 0.019 1 0 "[ . 1 . 2]" 1
1350 1 67 ALA MB 1 78 GLU H . . 4.430 3.864 3.437 4.311 . 0 0 "[ . 1 . 2]" 1
1351 1 67 ALA MB 1 80 ILE MD . . 3.440 2.820 2.648 2.967 . 0 0 "[ . 1 . 2]" 1
1352 1 67 ALA MB 1 80 ILE MG . . 3.870 3.793 3.527 3.918 0.048 16 0 "[ . 1 . 2]" 1
1353 1 68 ALA H 1 68 ALA MB . . 2.470 2.358 2.253 2.396 . 0 0 "[ . 1 . 2]" 1
1354 1 68 ALA H 1 69 PHE H . . 3.010 1.967 1.883 2.124 . 0 0 "[ . 1 . 2]" 1
1355 1 68 ALA H 1 69 PHE HB3 . . 5.130 4.976 4.825 5.130 0.000 9 0 "[ . 1 . 2]" 1
1356 1 68 ALA H 1 69 PHE QD . . 4.150 4.087 3.620 4.180 0.030 1 0 "[ . 1 . 2]" 1
1357 1 68 ALA H 1 69 PHE QE . . 4.480 4.418 4.331 4.490 0.010 18 0 "[ . 1 . 2]" 1
1358 1 68 ALA H 1 70 LYS H . . 4.030 3.129 2.950 3.278 . 0 0 "[ . 1 . 2]" 1
1359 1 68 ALA H 1 70 LYS QB . . 4.530 4.199 3.922 4.319 . 0 0 "[ . 1 . 2]" 1
1360 1 68 ALA H 1 71 LEU H . . 5.500 5.181 4.860 5.392 . 0 0 "[ . 1 . 2]" 1
1361 1 68 ALA H 1 71 LEU MD2 . . 5.500 4.969 4.401 5.503 0.003 1 0 "[ . 1 . 2]" 1
1362 1 68 ALA H 1 89 ILE MD . . 4.050 4.050 3.993 4.078 0.028 18 0 "[ . 1 . 2]" 1
1363 1 68 ALA H 1 89 ILE HG12 . . 5.500 5.160 4.951 5.274 . 0 0 "[ . 1 . 2]" 1
1364 1 68 ALA H 1 89 ILE MG . . 4.730 4.526 4.455 4.708 . 0 0 "[ . 1 . 2]" 1
1365 1 68 ALA HA 1 70 LYS H . . 4.310 4.240 4.122 4.338 0.028 12 0 "[ . 1 . 2]" 1
1366 1 68 ALA HA 1 89 ILE MG . . 3.790 1.972 1.925 2.199 . 0 0 "[ . 1 . 2]" 1
1367 1 68 ALA MB 1 69 PHE H . . 3.150 2.928 2.767 2.997 . 0 0 "[ . 1 . 2]" 1
1368 1 68 ALA MB 1 69 PHE QD . . 3.680 3.451 2.746 3.581 . 0 0 "[ . 1 . 2]" 1
1369 1 68 ALA MB 1 89 ILE MG . . 3.550 2.545 2.353 2.700 . 0 0 "[ . 1 . 2]" 1
1370 1 69 PHE H 1 69 PHE HB2 . . 3.760 3.701 3.647 3.776 0.016 12 0 "[ . 1 . 2]" 1
1371 1 69 PHE H 1 69 PHE HB3 . . 3.470 3.321 3.168 3.430 . 0 0 "[ . 1 . 2]" 1
1372 1 69 PHE H 1 69 PHE QD . . 2.910 2.902 2.752 2.946 0.036 18 0 "[ . 1 . 2]" 1
1373 1 69 PHE H 1 69 PHE QE . . 4.160 4.010 3.924 4.070 . 0 0 "[ . 1 . 2]" 1
1374 1 69 PHE H 1 70 LYS H . . 2.980 1.934 1.885 2.130 . 0 0 "[ . 1 . 2]" 1
1375 1 69 PHE H 1 70 LYS QB . . 4.550 3.722 3.508 3.966 . 0 0 "[ . 1 . 2]" 1
1376 1 69 PHE H 1 70 LYS QD . . 5.360 4.695 4.453 5.034 . 0 0 "[ . 1 . 2]" 1
1377 1 69 PHE H 1 70 LYS QG . . 4.930 3.747 3.369 4.104 . 0 0 "[ . 1 . 2]" 1
1378 1 69 PHE H 1 71 LEU H . . 4.380 3.953 3.843 4.192 . 0 0 "[ . 1 . 2]" 1
1379 1 69 PHE H 1 71 LEU MD2 . . 5.500 5.044 4.503 5.479 . 0 0 "[ . 1 . 2]" 1
1380 1 69 PHE H 1 71 LEU HG . . 5.380 4.225 3.924 4.534 . 0 0 "[ . 1 . 2]" 1
1381 1 69 PHE HA 1 70 LYS H . . 3.440 3.261 3.180 3.335 . 0 0 "[ . 1 . 2]" 1
1382 1 69 PHE HA 1 71 LEU H . . 3.750 3.333 3.234 3.465 . 0 0 "[ . 1 . 2]" 1
1383 1 69 PHE HA 1 71 LEU MD1 . . 4.760 4.553 4.245 4.769 0.009 14 0 "[ . 1 . 2]" 1
1384 1 69 PHE HB2 1 70 LYS H . . 4.250 4.152 4.043 4.241 . 0 0 "[ . 1 . 2]" 1
1385 1 69 PHE HB3 1 70 LYS H . . 4.860 4.469 4.373 4.538 . 0 0 "[ . 1 . 2]" 1
1386 1 69 PHE QD 1 70 LYS H . . 4.350 2.977 2.708 3.755 . 0 0 "[ . 1 . 2]" 1
1387 1 69 PHE QE 1 70 LYS H . . 4.740 4.462 4.187 4.778 0.038 12 0 "[ . 1 . 2]" 1
1388 1 70 LYS H 1 70 LYS HA . . 2.930 2.899 2.857 2.926 . 0 0 "[ . 1 . 2]" 1
1389 1 70 LYS H 1 70 LYS QB . . 2.890 2.423 2.270 2.513 . 0 0 "[ . 1 . 2]" 1
1390 1 70 LYS H 1 70 LYS QE . . 5.240 4.649 4.491 4.849 . 0 0 "[ . 1 . 2]" 1
1391 1 70 LYS H 1 70 LYS QG . . 3.750 2.439 2.295 2.631 . 0 0 "[ . 1 . 2]" 1
1392 1 70 LYS H 1 71 LEU MD1 . . 4.550 4.487 4.386 4.611 0.061 1 0 "[ . 1 . 2]" 1
1393 1 70 LYS H 1 71 LEU MD2 . . 4.660 3.990 3.583 4.498 . 0 0 "[ . 1 . 2]" 1
1394 1 70 LYS H 1 71 LEU HG . . 4.120 3.189 3.011 3.471 . 0 0 "[ . 1 . 2]" 1
1395 1 70 LYS HA 1 70 LYS QG . . 3.520 3.077 2.368 3.327 . 0 0 "[ . 1 . 2]" 1
1396 1 70 LYS HA 1 71 LEU H . . 3.510 3.243 3.103 3.375 . 0 0 "[ . 1 . 2]" 1
1397 1 70 LYS QE 1 71 LEU H . . 5.500 5.473 4.801 5.560 0.060 16 0 "[ . 1 . 2]" 1
1398 1 71 LEU H 1 71 LEU HB2 . . 2.850 2.752 2.699 2.817 . 0 0 "[ . 1 . 2]" 1
1399 1 71 LEU H 1 71 LEU HB3 . . 3.780 3.638 3.594 3.705 . 0 0 "[ . 1 . 2]" 1
1400 1 71 LEU H 1 71 LEU MD1 . . 3.590 3.520 3.393 3.636 0.046 11 0 "[ . 1 . 2]" 1
1401 1 71 LEU H 1 71 LEU MD2 . . 3.570 3.186 3.037 3.311 . 0 0 "[ . 1 . 2]" 1
1402 1 71 LEU H 1 71 LEU HG . . 2.580 2.027 1.923 2.205 . 0 0 "[ . 1 . 2]" 1
1403 1 71 LEU H 1 72 GLN H . . 4.560 4.515 4.432 4.582 0.022 3 0 "[ . 1 . 2]" 1
1404 1 71 LEU HA 1 71 LEU MD2 . . 3.230 2.259 2.185 2.382 . 0 0 "[ . 1 . 2]" 1
1405 1 71 LEU HA 1 72 GLN H . . 2.670 2.565 2.466 2.683 0.013 14 0 "[ . 1 . 2]" 1
1406 1 71 LEU HB2 1 72 GLN H . . 3.350 2.965 2.695 3.198 . 0 0 "[ . 1 . 2]" 1
1407 1 71 LEU HB2 1 90 LYS HA . . 5.500 4.625 4.509 4.717 . 0 0 "[ . 1 . 2]" 1
1408 1 71 LEU HB2 1 91 ARG H . . 4.340 3.496 3.305 3.696 . 0 0 "[ . 1 . 2]" 1
1409 1 71 LEU HB2 1 91 ARG QD . . 4.070 3.636 3.174 4.085 0.015 17 0 "[ . 1 . 2]" 1
1410 1 71 LEU HB3 1 72 GLN H . . 3.240 2.289 2.133 2.433 . 0 0 "[ . 1 . 2]" 1
1411 1 71 LEU HB3 1 75 GLU H . . 4.430 4.216 3.922 4.424 . 0 0 "[ . 1 . 2]" 1
1412 1 71 LEU MD1 1 72 GLN H . . 4.440 4.290 4.104 4.463 0.023 3 0 "[ . 1 . 2]" 1
1413 1 71 LEU MD1 1 75 GLU H . . 5.210 4.584 4.296 4.774 . 0 0 "[ . 1 . 2]" 1
1414 1 71 LEU MD1 1 76 VAL H . . 5.500 4.904 4.396 5.273 . 0 0 "[ . 1 . 2]" 1
1415 1 71 LEU MD1 1 77 SER H . . 3.260 2.622 2.333 2.946 . 0 0 "[ . 1 . 2]" 1
1416 1 71 LEU MD1 1 77 SER HA . . 4.720 3.331 2.923 3.793 . 0 0 "[ . 1 . 2]" 1
1417 1 71 LEU MD1 1 77 SER QB . . 3.330 1.917 1.872 1.971 . 0 0 "[ . 1 . 2]" 1
1418 1 71 LEU MD1 1 90 LYS HA . . 4.240 2.611 2.461 2.649 . 0 0 "[ . 1 . 2]" 1
1419 1 71 LEU MD1 1 91 ARG H . . 3.170 2.657 2.460 2.850 . 0 0 "[ . 1 . 2]" 1
1420 1 71 LEU MD1 1 91 ARG HA . . 4.940 4.109 3.872 4.342 . 0 0 "[ . 1 . 2]" 1
1421 1 71 LEU MD2 1 72 GLN H . . 3.970 3.889 3.776 3.980 0.010 7 0 "[ . 1 . 2]" 1
1422 1 71 LEU MD2 1 76 VAL HA . . 4.840 4.271 3.871 4.536 . 0 0 "[ . 1 . 2]" 1
1423 1 71 LEU MD2 1 77 SER H . . 3.310 3.279 3.120 3.368 0.058 16 0 "[ . 1 . 2]" 1
1424 1 71 LEU MD2 1 77 SER HA . . 4.040 2.019 1.887 2.293 . 0 0 "[ . 1 . 2]" 1
1425 1 71 LEU MD2 1 77 SER QB . . 3.610 2.007 1.847 2.431 . 0 0 "[ . 1 . 2]" 1
1426 1 71 LEU MD2 1 78 GLU H . . 3.790 3.653 3.568 3.786 . 0 0 "[ . 1 . 2]" 1
1427 1 71 LEU HG 1 77 SER H . . 5.500 5.422 5.155 5.546 0.046 5 0 "[ . 1 . 2]" 1
1428 1 71 LEU HG 1 90 LYS HA . . 5.500 5.504 5.380 5.546 0.046 19 0 "[ . 1 . 2]" 1
1429 1 72 GLN H 1 72 GLN QB . . 3.340 2.376 2.199 2.970 . 0 0 "[ . 1 . 2]" 1
1430 1 72 GLN H 1 72 GLN QG . . 3.830 3.378 2.315 3.954 0.124 3 0 "[ . 1 . 2]" 1
1431 1 72 GLN H 1 73 VAL H . . 4.620 4.508 4.445 4.557 . 0 0 "[ . 1 . 2]" 1
1432 1 72 GLN H 1 75 GLU H . . 4.120 3.759 3.478 4.140 0.020 6 0 "[ . 1 . 2]" 1
1433 1 72 GLN H 1 75 GLU HB2 . . 3.140 2.435 1.950 3.150 0.010 20 0 "[ . 1 . 2]" 1
1434 1 72 GLN H 1 75 GLU HB3 . . 3.100 2.184 1.948 2.657 . 0 0 "[ . 1 . 2]" 1
1435 1 72 GLN H 1 91 ARG QD . . 4.570 4.440 3.557 4.598 0.028 7 0 "[ . 1 . 2]" 1
1436 1 72 GLN HA 1 72 GLN QG . . 3.720 2.444 2.070 3.335 . 0 0 "[ . 1 . 2]" 1
1437 1 72 GLN HA 1 73 VAL H . . 2.730 2.496 2.377 2.659 . 0 0 "[ . 1 . 2]" 1
1438 1 72 GLN HA 1 91 ARG QD . . 4.420 3.519 2.404 3.960 . 0 0 "[ . 1 . 2]" 1
1439 1 72 GLN QB 1 73 VAL H . . 2.800 2.490 1.902 2.828 0.028 2 0 "[ . 1 . 2]" 1
1440 1 72 GLN QE 1 73 VAL H . . 4.760 4.007 2.638 4.708 . 0 0 "[ . 1 . 2]" 1
1441 1 72 GLN QG 1 73 VAL H . . 3.550 2.857 1.925 3.629 0.079 4 0 "[ . 1 . 2]" 1
1442 1 72 GLN QG 1 75 GLU H . . 5.340 5.204 3.840 5.539 0.199 19 0 "[ . 1 . 2]" 1
1443 1 73 VAL H 1 73 VAL HB . . 3.090 2.622 2.498 2.780 . 0 0 "[ . 1 . 2]" 1
1444 1 73 VAL H 1 73 VAL QG . . 2.550 2.108 1.934 2.424 . 0 0 "[ . 1 . 2]" 1
1445 1 73 VAL H 1 74 GLY H . . 4.590 4.237 4.103 4.464 . 0 0 "[ . 1 . 2]" 1
1446 1 73 VAL H 1 75 GLU H . . 5.270 4.708 4.454 5.316 0.046 6 0 "[ . 1 . 2]" 1
1447 1 73 VAL H 1 91 ARG QD . . 4.230 3.757 2.970 4.234 0.004 7 0 "[ . 1 . 2]" 1
1448 1 73 VAL H 1 91 ARG HG2 . . 5.120 4.990 3.943 5.139 0.019 5 0 "[ . 1 . 2]" 1
1449 1 73 VAL HA 1 73 VAL MG1 . . 3.350 2.624 2.271 3.182 . 0 0 "[ . 1 . 2]" 1
1450 1 73 VAL HA 1 73 VAL MG2 . . 3.350 2.365 2.280 2.432 . 0 0 "[ . 1 . 2]" 1
1451 1 73 VAL HA 1 74 GLY H . . 2.460 2.219 2.145 2.275 . 0 0 "[ . 1 . 2]" 1
1452 1 73 VAL HA 1 75 GLU H . . 4.110 3.928 3.770 4.079 . 0 0 "[ . 1 . 2]" 1
1453 1 73 VAL HA 1 91 ARG H . . 5.500 5.438 5.063 5.539 0.039 4 0 "[ . 1 . 2]" 1
1454 1 73 VAL HA 1 91 ARG HA . . 5.500 5.398 4.768 5.555 0.055 16 0 "[ . 1 . 2]" 1
1455 1 73 VAL HA 1 91 ARG HG2 . . 4.110 2.454 2.204 2.847 . 0 0 "[ . 1 . 2]" 1
1456 1 73 VAL HB 1 74 GLY H . . 4.770 4.433 4.279 4.520 . 0 0 "[ . 1 . 2]" 1
1457 1 73 VAL QG 1 74 GLY H . . 3.160 3.088 2.718 3.216 0.056 19 0 "[ . 1 . 2]" 1
1458 1 73 VAL QG 1 74 GLY QA . . 3.770 3.291 3.093 3.417 . 0 0 "[ . 1 . 2]" 1
1459 1 73 VAL QG 1 75 GLU H . . 5.440 4.497 4.261 4.716 . 0 0 "[ . 1 . 2]" 1
1460 1 74 GLY H 1 74 GLY QA . . 2.530 2.262 2.210 2.292 . 0 0 "[ . 1 . 2]" 1
1461 1 74 GLY H 1 75 GLU H . . 2.980 2.285 2.150 2.659 . 0 0 "[ . 1 . 2]" 1
1462 1 74 GLY H 1 90 LYS HG2 . . 5.500 4.702 4.376 4.921 . 0 0 "[ . 1 . 2]" 1
1463 1 74 GLY H 1 90 LYS QG . . 4.650 4.416 4.135 4.515 . 0 0 "[ . 1 . 2]" 1
1464 1 74 GLY H 1 90 LYS HG3 . . 5.500 5.380 4.904 5.519 0.019 20 0 "[ . 1 . 2]" 1
1465 1 74 GLY H 1 91 ARG H . . 4.340 3.884 3.634 4.347 0.007 14 0 "[ . 1 . 2]" 1
1466 1 74 GLY H 1 91 ARG HB2 . . 4.080 3.765 3.624 4.096 0.016 6 0 "[ . 1 . 2]" 1
1467 1 74 GLY H 1 91 ARG HB3 . . 4.080 2.040 1.932 2.404 . 0 0 "[ . 1 . 2]" 1
1468 1 74 GLY H 1 91 ARG QD . . 4.440 3.597 3.102 4.443 0.003 14 0 "[ . 1 . 2]" 1
1469 1 74 GLY H 1 91 ARG HG2 . . 3.840 2.802 2.340 3.541 . 0 0 "[ . 1 . 2]" 1
1470 1 74 GLY H 1 91 ARG HG3 . . 5.120 4.239 3.879 4.765 . 0 0 "[ . 1 . 2]" 1
1471 1 74 GLY H 1 92 PHE HA . . 4.400 4.121 3.565 4.437 0.037 16 0 "[ . 1 . 2]" 1
1472 1 74 GLY H 1 93 GLY H . . 5.280 5.252 4.984 5.303 0.023 16 0 "[ . 1 . 2]" 1
1473 1 75 GLU H 1 75 GLU HB2 . . 2.710 2.490 2.254 2.729 0.019 7 0 "[ . 1 . 2]" 1
1474 1 75 GLU H 1 75 GLU HB3 . . 3.610 3.080 2.711 3.442 . 0 0 "[ . 1 . 2]" 1
1475 1 75 GLU H 1 90 LYS HA . . 4.630 4.640 4.330 4.778 0.148 19 0 "[ . 1 . 2]" 1
1476 1 75 GLU H 1 90 LYS QG . . 4.230 3.856 3.333 4.105 . 0 0 "[ . 1 . 2]" 1
1477 1 75 GLU H 1 91 ARG H . . 3.910 3.327 2.986 3.513 . 0 0 "[ . 1 . 2]" 1
1478 1 75 GLU H 1 91 ARG QD . . 5.340 4.421 4.080 4.711 . 0 0 "[ . 1 . 2]" 1
1479 1 75 GLU HA 1 75 GLU HG2 . . 3.860 2.900 2.118 3.687 . 0 0 "[ . 1 . 2]" 1
1480 1 75 GLU HA 1 75 GLU QG . . 3.380 2.330 2.100 2.783 . 0 0 "[ . 1 . 2]" 1
1481 1 75 GLU HA 1 75 GLU HG3 . . 3.860 2.776 2.269 3.496 . 0 0 "[ . 1 . 2]" 1
1482 1 75 GLU HA 1 76 VAL H . . 2.400 2.233 2.143 2.356 . 0 0 "[ . 1 . 2]" 1
1483 1 75 GLU HA 1 76 VAL QG . . 4.140 3.460 3.294 3.617 . 0 0 "[ . 1 . 2]" 1
1484 1 75 GLU HA 1 91 ARG H . . 5.250 5.238 5.113 5.295 0.045 2 0 "[ . 1 . 2]" 1
1485 1 75 GLU HB3 1 76 VAL H . . 3.930 3.472 3.037 3.709 . 0 0 "[ . 1 . 2]" 1
1486 1 75 GLU HB3 1 77 SER H . . 5.500 5.508 5.474 5.534 0.034 7 0 "[ . 1 . 2]" 1
1487 1 75 GLU QG 1 76 VAL H . . 3.290 2.733 1.967 3.295 0.005 4 0 "[ . 1 . 2]" 1
1488 1 76 VAL H 1 76 VAL HB . . 2.730 2.534 2.501 2.573 . 0 0 "[ . 1 . 2]" 1
1489 1 76 VAL H 1 76 VAL MG1 . . 3.970 3.799 3.773 3.824 . 0 0 "[ . 1 . 2]" 1
1490 1 76 VAL H 1 76 VAL QG . . 2.930 2.425 2.273 2.624 . 0 0 "[ . 1 . 2]" 1
1491 1 76 VAL H 1 76 VAL MG2 . . 3.970 2.454 2.292 2.673 . 0 0 "[ . 1 . 2]" 1
1492 1 76 VAL H 1 77 SER H . . 4.580 4.531 4.457 4.574 . 0 0 "[ . 1 . 2]" 1
1493 1 76 VAL H 1 90 LYS HA . . 5.500 4.895 4.817 4.956 . 0 0 "[ . 1 . 2]" 1
1494 1 76 VAL HA 1 76 VAL MG1 . . 3.500 2.331 2.274 2.400 . 0 0 "[ . 1 . 2]" 1
1495 1 76 VAL HA 1 76 VAL MG2 . . 3.500 2.403 2.371 2.444 . 0 0 "[ . 1 . 2]" 1
1496 1 76 VAL HA 1 77 SER H . . 2.560 2.189 2.160 2.210 . 0 0 "[ . 1 . 2]" 1
1497 1 76 VAL HA 1 89 ILE H . . 5.500 5.529 5.507 5.558 0.058 3 0 "[ . 1 . 2]" 1
1498 1 76 VAL HA 1 89 ILE MG . . 5.500 5.432 5.337 5.509 0.009 20 0 "[ . 1 . 2]" 1
1499 1 76 VAL HA 1 90 LYS HA . . 4.160 2.525 2.489 2.553 . 0 0 "[ . 1 . 2]" 1
1500 1 76 VAL HA 1 90 LYS HB2 . . 4.740 2.829 2.668 2.948 . 0 0 "[ . 1 . 2]" 1
1501 1 76 VAL HA 1 90 LYS HB3 . . 5.500 4.387 4.285 4.473 . 0 0 "[ . 1 . 2]" 1
1502 1 76 VAL HA 1 90 LYS QG . . 5.100 2.825 2.712 3.072 . 0 0 "[ . 1 . 2]" 1
1503 1 76 VAL HA 1 91 ARG H . . 4.080 4.102 4.054 4.134 0.054 19 0 "[ . 1 . 2]" 1
1504 1 76 VAL HB 1 77 SER H . . 4.170 4.036 3.957 4.152 . 0 0 "[ . 1 . 2]" 1
1505 1 76 VAL HB 1 88 ILE MG . . 4.440 4.281 4.161 4.449 0.009 6 0 "[ . 1 . 2]" 1
1506 1 76 VAL HB 1 90 LYS HA . . 5.500 5.510 5.479 5.533 0.033 11 0 "[ . 1 . 2]" 1
1507 1 76 VAL QG 1 77 SER H . . 2.850 2.255 2.036 2.510 . 0 0 "[ . 1 . 2]" 1
1508 1 76 VAL QG 1 78 GLU H . . 5.030 4.791 4.680 4.880 . 0 0 "[ . 1 . 2]" 1
1509 1 76 VAL QG 1 88 ILE HA . . 4.420 3.723 3.608 3.902 . 0 0 "[ . 1 . 2]" 1
1510 1 76 VAL QG 1 88 ILE MG . . 2.810 1.882 1.786 2.009 . 0 0 "[ . 1 . 2]" 1
1511 1 76 VAL QG 1 90 LYS H . . 5.180 4.593 4.486 4.736 . 0 0 "[ . 1 . 2]" 1
1512 1 76 VAL QG 1 90 LYS HA . . 3.670 3.432 3.388 3.483 . 0 0 "[ . 1 . 2]" 1
1513 1 76 VAL QG 1 90 LYS QE . . 4.300 3.152 2.637 3.453 . 0 0 "[ . 1 . 2]" 1
1514 1 76 VAL QG 1 90 LYS QG . . 4.010 2.164 1.991 2.612 . 0 0 "[ . 1 . 2]" 1
1515 1 76 VAL QG 1 91 ARG H . . 4.780 4.625 4.551 4.679 . 0 0 "[ . 1 . 2]" 1
1516 1 76 VAL QG 1 92 PHE QE . . 5.120 5.002 4.885 5.133 0.013 20 0 "[ . 1 . 2]" 1
1517 1 76 VAL MG1 1 77 SER H . . 4.040 2.270 2.043 2.538 . 0 0 "[ . 1 . 2]" 1
1518 1 76 VAL MG1 1 90 LYS HA . . 4.400 3.945 3.850 4.014 . 0 0 "[ . 1 . 2]" 1
1519 1 76 VAL MG2 1 77 SER H . . 4.040 3.970 3.918 4.021 . 0 0 "[ . 1 . 2]" 1
1520 1 76 VAL MG2 1 90 LYS HA . . 4.400 3.773 3.731 3.821 . 0 0 "[ . 1 . 2]" 1
1521 1 77 SER H 1 77 SER QB . . 2.960 2.271 2.202 2.367 . 0 0 "[ . 1 . 2]" 1
1522 1 77 SER H 1 78 GLU H . . 4.650 4.466 4.408 4.597 . 0 0 "[ . 1 . 2]" 1
1523 1 77 SER H 1 88 ILE HA . . 4.340 4.275 4.086 4.366 0.026 5 0 "[ . 1 . 2]" 1
1524 1 77 SER H 1 89 ILE H . . 3.730 3.714 3.643 3.751 0.021 5 0 "[ . 1 . 2]" 1
1525 1 77 SER H 1 89 ILE HB . . 4.120 3.970 3.892 4.031 . 0 0 "[ . 1 . 2]" 1
1526 1 77 SER H 1 89 ILE MD . . 4.690 4.491 4.430 4.592 . 0 0 "[ . 1 . 2]" 1
1527 1 77 SER H 1 90 LYS HA . . 3.500 3.355 3.198 3.451 . 0 0 "[ . 1 . 2]" 1
1528 1 77 SER H 1 91 ARG H . . 5.110 5.069 4.879 5.170 0.060 19 0 "[ . 1 . 2]" 1
1529 1 77 SER HA 1 78 GLU H . . 2.800 2.671 2.346 2.760 . 0 0 "[ . 1 . 2]" 1
1530 1 77 SER HA 1 89 ILE H . . 5.340 5.222 5.131 5.312 . 0 0 "[ . 1 . 2]" 1
1531 1 77 SER QB 1 78 GLU H . . 3.160 2.499 2.082 3.067 . 0 0 "[ . 1 . 2]" 1
1532 1 77 SER QB 1 89 ILE H . . 3.690 2.681 2.217 3.211 . 0 0 "[ . 1 . 2]" 1
1533 1 77 SER QB 1 89 ILE MD . . 4.580 2.498 2.286 2.698 . 0 0 "[ . 1 . 2]" 1
1534 1 77 SER QB 1 89 ILE MG . . 4.160 3.701 3.591 3.762 . 0 0 "[ . 1 . 2]" 1
1535 1 78 GLU H 1 78 GLU HB2 . . 3.660 3.279 2.164 3.601 . 0 0 "[ . 1 . 2]" 1
1536 1 78 GLU H 1 78 GLU QB . . 3.070 2.825 2.144 3.045 . 0 0 "[ . 1 . 2]" 1
1537 1 78 GLU H 1 78 GLU HB3 . . 3.660 3.288 2.446 3.645 . 0 0 "[ . 1 . 2]" 1
1538 1 78 GLU H 1 78 GLU HG2 . . 3.490 2.265 1.930 3.387 . 0 0 "[ . 1 . 2]" 1
1539 1 78 GLU H 1 78 GLU QG . . 2.990 2.079 1.868 3.032 0.042 19 0 "[ . 1 . 2]" 1
1540 1 78 GLU H 1 78 GLU HG3 . . 3.490 2.705 1.927 3.528 0.038 10 0 "[ . 1 . 2]" 1
1541 1 78 GLU H 1 79 PRO HD2 . . 4.810 4.750 4.714 4.762 . 0 0 "[ . 1 . 2]" 1
1542 1 78 GLU HA 1 78 GLU QG . . 3.640 3.073 2.115 3.406 . 0 0 "[ . 1 . 2]" 1
1543 1 78 GLU HA 1 79 PRO HD3 . . 3.750 2.355 2.331 2.369 . 0 0 "[ . 1 . 2]" 1
1544 1 78 GLU HA 1 79 PRO HG2 . . 5.500 4.616 4.576 4.637 . 0 0 "[ . 1 . 2]" 1
1545 1 78 GLU HA 1 79 PRO HG3 . . 5.310 4.551 4.519 4.569 . 0 0 "[ . 1 . 2]" 1
1546 1 78 GLU QB 1 79 PRO HD2 . . 3.440 1.890 1.812 1.987 . 0 0 "[ . 1 . 2]" 1
1547 1 78 GLU QB 1 79 PRO HD3 . . 3.770 3.176 3.069 3.356 . 0 0 "[ . 1 . 2]" 1
1548 1 78 GLU HB2 1 79 PRO HD2 . . 4.130 2.275 1.818 3.567 . 0 0 "[ . 1 . 2]" 1
1549 1 78 GLU HB3 1 79 PRO HD2 . . 4.130 2.578 1.900 3.420 . 0 0 "[ . 1 . 2]" 1
1550 1 78 GLU QG 1 79 PRO HD2 . . 5.160 3.747 2.969 3.969 . 0 0 "[ . 1 . 2]" 1
1551 1 78 GLU HG2 1 79 PRO HD3 . . 5.500 5.224 3.620 5.613 0.113 11 0 "[ . 1 . 2]" 1
1552 1 78 GLU HG3 1 79 PRO HD3 . . 5.500 5.267 4.545 5.581 0.081 2 0 "[ . 1 . 2]" 1
1553 1 79 PRO HA 1 80 ILE H . . 3.360 2.358 2.305 2.375 . 0 0 "[ . 1 . 2]" 1
1554 1 79 PRO HA 1 80 ILE HB . . 4.970 4.887 4.871 4.915 . 0 0 "[ . 1 . 2]" 1
1555 1 79 PRO HA 1 80 ILE HG12 . . 4.830 4.078 4.012 4.117 . 0 0 "[ . 1 . 2]" 1
1556 1 79 PRO HA 1 86 TYR HB3 . . 4.970 2.660 2.574 2.928 . 0 0 "[ . 1 . 2]" 1
1557 1 79 PRO HA 1 86 TYR QD . . 4.330 3.621 3.576 3.669 . 0 0 "[ . 1 . 2]" 1
1558 1 79 PRO HA 1 86 TYR QE . . 5.500 5.557 5.538 5.577 0.077 5 0 "[ . 1 . 2]" 1
1559 1 79 PRO HA 1 88 ILE HA . . 4.710 4.030 3.937 4.093 . 0 0 "[ . 1 . 2]" 1
1560 1 79 PRO HA 1 88 ILE MD . . 4.480 2.078 1.935 2.301 . 0 0 "[ . 1 . 2]" 1
1561 1 79 PRO HA 1 88 ILE HG13 . . 5.390 4.664 4.424 4.910 . 0 0 "[ . 1 . 2]" 1
1562 1 79 PRO HA 1 88 ILE MG . . 5.210 4.922 4.831 4.994 . 0 0 "[ . 1 . 2]" 1
1563 1 79 PRO HB2 1 86 TYR HA . . 5.410 4.109 4.034 4.187 . 0 0 "[ . 1 . 2]" 1
1564 1 79 PRO HB2 1 86 TYR QD . . 3.550 2.396 2.311 2.465 . 0 0 "[ . 1 . 2]" 1
1565 1 79 PRO HB2 1 86 TYR QE . . 4.070 3.489 3.439 3.542 . 0 0 "[ . 1 . 2]" 1
1566 1 79 PRO HD3 1 88 ILE MD . . 4.690 3.158 2.894 3.443 . 0 0 "[ . 1 . 2]" 1
1567 1 80 ILE H 1 80 ILE HB . . 2.910 2.634 2.611 2.661 . 0 0 "[ . 1 . 2]" 1
1568 1 80 ILE H 1 80 ILE MD . . 3.640 3.159 3.045 3.253 . 0 0 "[ . 1 . 2]" 1
1569 1 80 ILE H 1 80 ILE HG12 . . 3.320 2.000 1.960 2.039 . 0 0 "[ . 1 . 2]" 1
1570 1 80 ILE H 1 80 ILE HG13 . . 3.680 3.515 3.480 3.552 . 0 0 "[ . 1 . 2]" 1
1571 1 80 ILE H 1 80 ILE MG . . 3.900 3.779 3.775 3.786 . 0 0 "[ . 1 . 2]" 1
1572 1 80 ILE H 1 81 LYS H . . 4.430 4.379 4.360 4.421 . 0 0 "[ . 1 . 2]" 1
1573 1 80 ILE H 1 86 TYR HA . . 4.200 3.786 3.692 4.012 . 0 0 "[ . 1 . 2]" 1
1574 1 80 ILE H 1 86 TYR QD . . 4.150 3.995 3.875 4.039 . 0 0 "[ . 1 . 2]" 1
1575 1 80 ILE H 1 87 HIS H . . 3.270 2.626 2.486 2.884 . 0 0 "[ . 1 . 2]" 1
1576 1 80 ILE H 1 87 HIS HB2 . . 3.960 3.415 3.311 3.551 . 0 0 "[ . 1 . 2]" 1
1577 1 80 ILE H 1 87 HIS HB3 . . 4.900 4.670 4.568 4.797 . 0 0 "[ . 1 . 2]" 1
1578 1 80 ILE H 1 88 ILE HA . . 4.580 4.448 4.385 4.505 . 0 0 "[ . 1 . 2]" 1
1579 1 80 ILE H 1 89 ILE MD . . 4.630 4.344 4.267 4.455 . 0 0 "[ . 1 . 2]" 1
1580 1 80 ILE HA 1 80 ILE MD . . 3.450 2.132 1.987 2.214 . 0 0 "[ . 1 . 2]" 1
1581 1 80 ILE HA 1 80 ILE MG . . 3.350 2.210 2.176 2.243 . 0 0 "[ . 1 . 2]" 1
1582 1 80 ILE HA 1 81 LYS H . . 2.450 2.149 2.142 2.152 . 0 0 "[ . 1 . 2]" 1
1583 1 80 ILE HA 1 86 TYR QD . . 4.660 3.929 3.828 3.979 . 0 0 "[ . 1 . 2]" 1
1584 1 80 ILE HA 1 86 TYR QE . . 5.220 5.081 4.917 5.130 . 0 0 "[ . 1 . 2]" 1
1585 1 80 ILE HB 1 81 LYS H . . 4.320 4.284 4.247 4.304 . 0 0 "[ . 1 . 2]" 1
1586 1 80 ILE HB 1 86 TYR HA . . 5.500 4.379 4.342 4.494 . 0 0 "[ . 1 . 2]" 1
1587 1 80 ILE HB 1 87 HIS H . . 3.600 2.865 2.825 2.970 . 0 0 "[ . 1 . 2]" 1
1588 1 80 ILE HB 1 87 HIS HA . . 5.260 4.953 4.886 5.036 . 0 0 "[ . 1 . 2]" 1
1589 1 80 ILE HB 1 87 HIS HB2 . . 4.000 2.247 2.156 2.341 . 0 0 "[ . 1 . 2]" 1
1590 1 80 ILE HB 1 87 HIS HB3 . . 4.230 3.922 3.835 4.021 . 0 0 "[ . 1 . 2]" 1
1591 1 80 ILE HB 1 87 HIS HD2 . . 3.690 3.490 3.326 3.620 . 0 0 "[ . 1 . 2]" 1
1592 1 80 ILE HB 1 89 ILE MD . . 4.260 3.890 3.747 3.998 . 0 0 "[ . 1 . 2]" 1
1593 1 80 ILE HG12 1 80 ILE MG . . 3.370 3.194 3.190 3.198 . 0 0 "[ . 1 . 2]" 1
1594 1 80 ILE HG12 1 87 HIS H . . 4.350 4.096 3.956 4.310 . 0 0 "[ . 1 . 2]" 1
1595 1 80 ILE HG12 1 89 ILE MD . . 4.360 3.514 3.404 3.630 . 0 0 "[ . 1 . 2]" 1
1596 1 80 ILE HG13 1 80 ILE MG . . 3.350 2.323 2.288 2.351 . 0 0 "[ . 1 . 2]" 1
1597 1 80 ILE HG13 1 87 HIS H . . 5.200 4.940 4.882 5.074 . 0 0 "[ . 1 . 2]" 1
1598 1 80 ILE HG13 1 89 ILE H . . 5.500 5.549 5.498 5.574 0.074 6 0 "[ . 1 . 2]" 1
1599 1 80 ILE HG13 1 89 ILE MD . . 4.300 3.252 3.180 3.360 . 0 0 "[ . 1 . 2]" 1
1600 1 80 ILE MG 1 81 LYS H . . 3.020 2.983 2.853 3.027 0.007 5 0 "[ . 1 . 2]" 1
1601 1 80 ILE MG 1 86 TYR HA . . 5.080 4.835 4.792 4.927 . 0 0 "[ . 1 . 2]" 1
1602 1 80 ILE MG 1 86 TYR QD . . 5.180 5.070 4.977 5.107 . 0 0 "[ . 1 . 2]" 1
1603 1 80 ILE MG 1 87 HIS H . . 4.170 4.137 4.093 4.189 0.019 16 0 "[ . 1 . 2]" 1
1604 1 80 ILE MG 1 87 HIS HB2 . . 4.710 3.734 3.677 3.782 . 0 0 "[ . 1 . 2]" 1
1605 1 80 ILE MG 1 87 HIS HD2 . . 3.840 3.764 3.556 3.851 0.011 19 0 "[ . 1 . 2]" 1
1606 1 81 LYS H 1 81 LYS HB2 . . 2.760 2.540 2.470 2.625 . 0 0 "[ . 1 . 2]" 1
1607 1 81 LYS H 1 81 LYS HB3 . . 2.710 2.547 2.471 2.617 . 0 0 "[ . 1 . 2]" 1
1608 1 81 LYS H 1 81 LYS HG3 . . 4.570 4.416 4.408 4.424 . 0 0 "[ . 1 . 2]" 1
1609 1 81 LYS H 1 82 SER H . . 4.540 4.431 4.412 4.476 . 0 0 "[ . 1 . 2]" 1
1610 1 81 LYS H 1 86 TYR HA . . 4.470 4.128 4.063 4.317 . 0 0 "[ . 1 . 2]" 1
1611 1 81 LYS H 1 86 TYR QD . . 3.930 3.231 3.119 3.426 . 0 0 "[ . 1 . 2]" 1
1612 1 81 LYS H 1 86 TYR QE . . 3.730 3.701 3.491 3.744 0.014 18 0 "[ . 1 . 2]" 1
1613 1 81 LYS H 1 87 HIS H . . 4.850 4.768 4.711 4.859 0.009 16 0 "[ . 1 . 2]" 1
1614 1 81 LYS HA 1 82 SER H . . 2.590 2.142 2.139 2.145 . 0 0 "[ . 1 . 2]" 1
1615 1 81 LYS HA 1 86 TYR HA . . 4.600 2.680 2.591 2.732 . 0 0 "[ . 1 . 2]" 1
1616 1 81 LYS HA 1 86 TYR QD . . 3.770 2.944 2.855 3.027 . 0 0 "[ . 1 . 2]" 1
1617 1 81 LYS HA 1 86 TYR QE . . 3.880 3.772 3.626 3.850 . 0 0 "[ . 1 . 2]" 1
1618 1 81 LYS HA 1 87 HIS H . . 4.140 4.150 4.078 4.174 0.034 5 0 "[ . 1 . 2]" 1
1619 1 81 LYS HA 1 87 HIS HD2 . . 5.080 4.417 4.313 4.545 . 0 0 "[ . 1 . 2]" 1
1620 1 81 LYS HB2 1 82 SER H . . 4.500 4.394 4.340 4.437 . 0 0 "[ . 1 . 2]" 1
1621 1 81 LYS HB2 1 86 TYR QD . . 3.770 3.088 2.985 3.226 . 0 0 "[ . 1 . 2]" 1
1622 1 81 LYS HB2 1 86 TYR QE . . 3.780 2.139 2.005 2.206 . 0 0 "[ . 1 . 2]" 1
1623 1 81 LYS HB3 1 82 SER H . . 4.330 4.292 4.232 4.354 0.024 15 0 "[ . 1 . 2]" 1
1624 1 81 LYS HB3 1 86 TYR QE . . 4.550 3.803 3.633 3.904 . 0 0 "[ . 1 . 2]" 1
1625 1 81 LYS QD 1 82 SER H . . 4.330 4.216 3.859 4.351 0.021 2 0 "[ . 1 . 2]" 1
1626 1 81 LYS QD 1 86 TYR QD . . 3.720 3.473 3.292 3.629 . 0 0 "[ . 1 . 2]" 1
1627 1 81 LYS QD 1 86 TYR QE . . 3.130 2.550 2.378 2.674 . 0 0 "[ . 1 . 2]" 1
1628 1 81 LYS QE 1 81 LYS HG2 . . 3.550 2.476 2.085 2.881 . 0 0 "[ . 1 . 2]" 1
1629 1 81 LYS QE 1 86 TYR QD . . 5.090 4.829 4.380 5.107 0.017 18 0 "[ . 1 . 2]" 1
1630 1 81 LYS QE 1 86 TYR QE . . 4.140 3.624 2.541 4.142 0.002 17 0 "[ . 1 . 2]" 1
1631 1 81 LYS HG2 1 82 SER H . . 4.460 4.466 4.441 4.483 0.023 4 0 "[ . 1 . 2]" 1
1632 1 81 LYS HG3 1 82 SER H . . 3.380 2.906 2.802 2.961 . 0 0 "[ . 1 . 2]" 1
1633 1 81 LYS HG3 1 82 SER HA . . 4.510 4.067 3.841 4.220 . 0 0 "[ . 1 . 2]" 1
1634 1 81 LYS HG3 1 85 GLY H . . 4.790 4.663 4.543 4.775 . 0 0 "[ . 1 . 2]" 1
1635 1 81 LYS HG3 1 86 TYR QD . . 4.950 4.805 4.681 4.930 . 0 0 "[ . 1 . 2]" 1
1636 1 81 LYS HG3 1 86 TYR QE . . 5.130 4.495 4.393 4.644 . 0 0 "[ . 1 . 2]" 1
1637 1 82 SER H 1 82 SER HB2 . . 3.970 3.212 2.922 3.894 . 0 0 "[ . 1 . 2]" 1
1638 1 82 SER H 1 82 SER QB . . 3.370 2.804 2.592 2.970 . 0 0 "[ . 1 . 2]" 1
1639 1 82 SER H 1 82 SER HB3 . . 3.970 3.322 2.825 3.900 . 0 0 "[ . 1 . 2]" 1
1640 1 82 SER H 1 84 PHE H . . 4.320 4.092 3.963 4.236 . 0 0 "[ . 1 . 2]" 1
1641 1 82 SER H 1 85 GLY H . . 3.290 2.635 2.534 2.786 . 0 0 "[ . 1 . 2]" 1
1642 1 82 SER H 1 86 TYR QD . . 5.040 4.801 4.708 4.851 . 0 0 "[ . 1 . 2]" 1
1643 1 82 SER H 1 87 HIS H . . 5.000 4.575 4.406 4.749 . 0 0 "[ . 1 . 2]" 1
1644 1 82 SER H 1 87 HIS HD2 . . 3.700 3.373 3.208 3.540 . 0 0 "[ . 1 . 2]" 1
1645 1 82 SER HA 1 83 GLU H . . 3.140 2.684 2.656 2.713 . 0 0 "[ . 1 . 2]" 1
1646 1 82 SER HA 1 84 PHE H . . 4.470 4.309 4.251 4.417 . 0 0 "[ . 1 . 2]" 1
1647 1 82 SER HA 1 85 GLY H . . 4.550 4.258 4.205 4.364 . 0 0 "[ . 1 . 2]" 1
1648 1 82 SER QB 1 83 GLU H . . 2.850 2.382 2.114 2.806 . 0 0 "[ . 1 . 2]" 1
1649 1 82 SER QB 1 83 GLU QG . . 4.430 3.202 2.871 3.546 . 0 0 "[ . 1 . 2]" 1
1650 1 82 SER QB 1 84 PHE H . . 3.370 2.579 2.261 3.381 0.011 10 0 "[ . 1 . 2]" 1
1651 1 82 SER QB 1 84 PHE QD . . 5.130 3.650 3.380 4.292 . 0 0 "[ . 1 . 2]" 1
1652 1 82 SER QB 1 85 GLY H . . 5.270 2.999 2.725 3.771 . 0 0 "[ . 1 . 2]" 1
1653 1 82 SER QB 1 87 HIS HD2 . . 3.220 2.578 2.221 2.908 . 0 0 "[ . 1 . 2]" 1
1654 1 82 SER HB2 1 84 PHE H . . 4.160 3.227 2.283 4.185 0.025 17 0 "[ . 1 . 2]" 1
1655 1 82 SER HB3 1 84 PHE H . . 4.160 3.325 2.474 4.161 0.001 10 0 "[ . 1 . 2]" 1
1656 1 83 GLU H 1 83 GLU HB3 . . 3.110 2.571 2.401 2.705 . 0 0 "[ . 1 . 2]" 1
1657 1 83 GLU H 1 83 GLU HG2 . . 3.920 2.130 1.961 2.432 . 0 0 "[ . 1 . 2]" 1
1658 1 83 GLU H 1 83 GLU QG . . 3.060 2.109 1.932 2.406 . 0 0 "[ . 1 . 2]" 1
1659 1 83 GLU H 1 83 GLU HG3 . . 3.920 3.452 2.874 3.841 . 0 0 "[ . 1 . 2]" 1
1660 1 83 GLU H 1 84 PHE H . . 3.240 2.666 2.580 2.712 . 0 0 "[ . 1 . 2]" 1
1661 1 83 GLU H 1 84 PHE QD . . 5.220 4.715 4.630 4.790 . 0 0 "[ . 1 . 2]" 1
1662 1 83 GLU H 1 85 GLY H . . 5.410 3.934 3.875 3.978 . 0 0 "[ . 1 . 2]" 1
1663 1 83 GLU HA 1 85 GLY H . . 4.280 4.174 4.101 4.258 . 0 0 "[ . 1 . 2]" 1
1664 1 83 GLU HB2 1 84 PHE QD . . 5.070 4.376 4.084 4.654 . 0 0 "[ . 1 . 2]" 1
1665 1 83 GLU HB2 1 84 PHE QE . . 5.490 4.508 4.257 4.812 . 0 0 "[ . 1 . 2]" 1
1666 1 83 GLU HB3 1 84 PHE H . . 4.200 4.108 3.944 4.180 . 0 0 "[ . 1 . 2]" 1
1667 1 83 GLU HB3 1 84 PHE QD . . 5.500 5.342 5.276 5.378 . 0 0 "[ . 1 . 2]" 1
1668 1 83 GLU HB3 1 84 PHE QE . . 5.500 5.339 5.266 5.384 . 0 0 "[ . 1 . 2]" 1
1669 1 83 GLU QG 1 84 PHE H . . 3.200 2.333 2.032 2.479 . 0 0 "[ . 1 . 2]" 1
1670 1 83 GLU QG 1 84 PHE QD . . 3.840 2.902 2.745 3.062 . 0 0 "[ . 1 . 2]" 1
1671 1 83 GLU QG 1 85 GLY H . . 4.540 4.256 4.125 4.329 . 0 0 "[ . 1 . 2]" 1
1672 1 83 GLU HG2 1 84 PHE H . . 3.830 2.573 2.042 3.210 . 0 0 "[ . 1 . 2]" 1
1673 1 83 GLU HG2 1 84 PHE QD . . 4.410 3.621 3.262 4.236 . 0 0 "[ . 1 . 2]" 1
1674 1 83 GLU HG2 1 84 PHE QE . . 4.690 3.721 3.545 4.092 . 0 0 "[ . 1 . 2]" 1
1675 1 83 GLU HG3 1 84 PHE H . . 3.830 2.981 2.380 3.794 . 0 0 "[ . 1 . 2]" 1
1676 1 83 GLU HG3 1 84 PHE QD . . 4.410 3.100 2.920 3.707 . 0 0 "[ . 1 . 2]" 1
1677 1 83 GLU HG3 1 84 PHE QE . . 4.690 3.033 2.897 3.243 . 0 0 "[ . 1 . 2]" 1
1678 1 84 PHE H 1 84 PHE HB2 . . 3.010 2.635 2.597 2.658 . 0 0 "[ . 1 . 2]" 1
1679 1 84 PHE H 1 84 PHE HB3 . . 3.700 3.674 3.655 3.687 . 0 0 "[ . 1 . 2]" 1
1680 1 84 PHE H 1 85 GLY H . . 2.740 2.192 2.144 2.247 . 0 0 "[ . 1 . 2]" 1
1681 1 84 PHE H 1 85 GLY HA2 . . 4.840 4.639 4.583 4.700 . 0 0 "[ . 1 . 2]" 1
1682 1 84 PHE H 1 85 GLY HA3 . . 5.110 4.916 4.881 4.962 . 0 0 "[ . 1 . 2]" 1
1683 1 84 PHE H 1 87 HIS HD2 . . 4.790 4.538 4.440 4.617 . 0 0 "[ . 1 . 2]" 1
1684 1 84 PHE HA 1 84 PHE QD . . 3.100 2.345 2.271 2.416 . 0 0 "[ . 1 . 2]" 1
1685 1 84 PHE HA 1 85 GLY H . . 3.520 3.422 3.400 3.439 . 0 0 "[ . 1 . 2]" 1
1686 1 84 PHE HB2 1 85 GLY H . . 3.600 3.135 3.076 3.205 . 0 0 "[ . 1 . 2]" 1
1687 1 84 PHE HB2 1 87 HIS HE1 . . 3.960 3.090 3.012 3.195 . 0 0 "[ . 1 . 2]" 1
1688 1 84 PHE HB3 1 85 GLY H . . 4.250 4.170 4.120 4.208 . 0 0 "[ . 1 . 2]" 1
1689 1 84 PHE HB3 1 87 HIS HE1 . . 4.260 4.046 3.952 4.248 . 0 0 "[ . 1 . 2]" 1
1690 1 84 PHE QD 1 87 HIS HE1 . . 3.480 2.308 2.196 2.424 . 0 0 "[ . 1 . 2]" 1
1691 1 85 GLY H 1 86 TYR H . . 4.540 4.492 4.477 4.507 . 0 0 "[ . 1 . 2]" 1
1692 1 85 GLY H 1 86 TYR HA . . 5.300 5.112 5.067 5.145 . 0 0 "[ . 1 . 2]" 1
1693 1 85 GLY H 1 87 HIS HD2 . . 4.260 3.968 3.866 4.087 . 0 0 "[ . 1 . 2]" 1
1694 1 85 GLY HA2 1 86 TYR H . . 3.150 2.862 2.795 2.913 . 0 0 "[ . 1 . 2]" 1
1695 1 85 GLY HA2 1 86 TYR QD . . 4.970 4.818 4.757 4.854 . 0 0 "[ . 1 . 2]" 1
1696 1 85 GLY HA2 1 86 TYR QE . . 5.500 5.527 5.506 5.556 0.056 9 0 "[ . 1 . 2]" 1
1697 1 85 GLY HA3 1 86 TYR H . . 2.900 2.304 2.268 2.354 . 0 0 "[ . 1 . 2]" 1
1698 1 86 TYR H 1 86 TYR HB2 . . 3.130 2.412 2.362 2.426 . 0 0 "[ . 1 . 2]" 1
1699 1 86 TYR H 1 86 TYR HB3 . . 3.610 3.596 3.589 3.601 . 0 0 "[ . 1 . 2]" 1
1700 1 86 TYR H 1 86 TYR QD . . 3.230 3.037 2.938 3.146 . 0 0 "[ . 1 . 2]" 1
1701 1 86 TYR H 1 86 TYR QE . . 4.780 4.637 4.552 4.733 . 0 0 "[ . 1 . 2]" 1
1702 1 86 TYR H 1 87 HIS H . . 4.530 4.476 4.444 4.497 . 0 0 "[ . 1 . 2]" 1
1703 1 86 TYR HA 1 86 TYR QD . . 3.380 2.334 2.248 2.406 . 0 0 "[ . 1 . 2]" 1
1704 1 86 TYR HA 1 86 TYR QE . . 4.630 4.414 4.375 4.441 . 0 0 "[ . 1 . 2]" 1
1705 1 86 TYR HA 1 87 HIS H . . 2.640 2.139 2.138 2.142 . 0 0 "[ . 1 . 2]" 1
1706 1 86 TYR HB2 1 87 HIS H . . 4.530 4.317 4.286 4.376 . 0 0 "[ . 1 . 2]" 1
1707 1 86 TYR HB2 1 87 HIS HA . . 5.500 5.025 5.003 5.113 . 0 0 "[ . 1 . 2]" 1
1708 1 86 TYR HB3 1 87 HIS H . . 3.710 3.441 3.388 3.512 . 0 0 "[ . 1 . 2]" 1
1709 1 86 TYR QD 1 87 HIS H . . 3.970 3.846 3.790 3.896 . 0 0 "[ . 1 . 2]" 1
1710 1 87 HIS H 1 87 HIS HB2 . . 3.250 2.387 2.365 2.401 . 0 0 "[ . 1 . 2]" 1
1711 1 87 HIS H 1 87 HIS HB3 . . 3.670 3.625 3.610 3.634 . 0 0 "[ . 1 . 2]" 1
1712 1 87 HIS H 1 87 HIS HD2 . . 3.090 2.987 2.893 3.048 . 0 0 "[ . 1 . 2]" 1
1713 1 87 HIS H 1 88 ILE H . . 4.530 4.436 4.410 4.488 . 0 0 "[ . 1 . 2]" 1
1714 1 87 HIS H 1 88 ILE HG12 . . 4.870 4.726 4.643 4.822 . 0 0 "[ . 1 . 2]" 1
1715 1 87 HIS HA 1 87 HIS HD2 . . 4.470 4.028 3.975 4.081 . 0 0 "[ . 1 . 2]" 1
1716 1 87 HIS HA 1 87 HIS HE1 . . 5.410 5.017 4.981 5.063 . 0 0 "[ . 1 . 2]" 1
1717 1 87 HIS HA 1 88 ILE H . . 2.690 2.146 2.142 2.156 . 0 0 "[ . 1 . 2]" 1
1718 1 87 HIS HA 1 88 ILE HA . . 5.500 4.391 4.389 4.394 . 0 0 "[ . 1 . 2]" 1
1719 1 87 HIS HA 1 88 ILE MD . . 5.500 4.434 4.221 4.597 . 0 0 "[ . 1 . 2]" 1
1720 1 87 HIS HA 1 88 ILE HG13 . . 5.500 5.477 5.412 5.515 0.015 10 0 "[ . 1 . 2]" 1
1721 1 87 HIS HA 1 89 ILE HG13 . . 5.280 4.863 4.792 4.989 . 0 0 "[ . 1 . 2]" 1
1722 1 87 HIS HB2 1 87 HIS HD2 . . 3.480 2.841 2.817 2.868 . 0 0 "[ . 1 . 2]" 1
1723 1 87 HIS HB2 1 88 ILE H . . 4.370 4.324 4.278 4.348 . 0 0 "[ . 1 . 2]" 1
1724 1 87 HIS HB2 1 89 ILE MD . . 4.630 3.005 2.904 3.127 . 0 0 "[ . 1 . 2]" 1
1725 1 87 HIS HB2 1 89 ILE HG13 . . 4.820 4.514 4.349 4.683 . 0 0 "[ . 1 . 2]" 1
1726 1 87 HIS HB3 1 87 HIS HE1 . . 5.310 4.749 4.741 4.757 . 0 0 "[ . 1 . 2]" 1
1727 1 87 HIS HB3 1 88 ILE H . . 3.590 3.372 3.276 3.423 . 0 0 "[ . 1 . 2]" 1
1728 1 87 HIS HB3 1 89 ILE MD . . 4.610 2.485 2.401 2.587 . 0 0 "[ . 1 . 2]" 1
1729 1 88 ILE H 1 88 ILE HB . . 3.050 2.603 2.582 2.640 . 0 0 "[ . 1 . 2]" 1
1730 1 88 ILE H 1 88 ILE MD . . 3.810 3.653 3.491 3.754 . 0 0 "[ . 1 . 2]" 1
1731 1 88 ILE H 1 88 ILE HG12 . . 3.280 2.755 2.642 2.872 . 0 0 "[ . 1 . 2]" 1
1732 1 88 ILE H 1 88 ILE HG13 . . 4.260 4.088 4.022 4.168 . 0 0 "[ . 1 . 2]" 1
1733 1 88 ILE H 1 88 ILE MG . . 4.390 3.835 3.823 3.850 . 0 0 "[ . 1 . 2]" 1
1734 1 88 ILE H 1 89 ILE H . . 4.430 3.815 3.707 3.875 . 0 0 "[ . 1 . 2]" 1
1735 1 88 ILE H 1 89 ILE HA . . 4.710 4.705 4.613 4.740 0.030 9 0 "[ . 1 . 2]" 1
1736 1 88 ILE HA 1 88 ILE MD . . 3.980 2.073 1.960 2.151 . 0 0 "[ . 1 . 2]" 1
1737 1 88 ILE HA 1 88 ILE HG12 . . 3.770 3.054 2.991 3.141 . 0 0 "[ . 1 . 2]" 1
1738 1 88 ILE HA 1 88 ILE MG . . 3.470 2.316 2.291 2.357 . 0 0 "[ . 1 . 2]" 1
1739 1 88 ILE HA 1 89 ILE H . . 2.720 2.292 2.264 2.326 . 0 0 "[ . 1 . 2]" 1
1740 1 88 ILE HB 1 89 ILE H . . 4.580 4.473 4.459 4.489 . 0 0 "[ . 1 . 2]" 1
1741 1 88 ILE MD 1 88 ILE MG . . 3.090 2.028 1.915 2.118 . 0 0 "[ . 1 . 2]" 1
1742 1 88 ILE MD 1 89 ILE H . . 4.170 3.977 3.913 4.030 . 0 0 "[ . 1 . 2]" 1
1743 1 88 ILE MG 1 89 ILE H . . 3.560 3.419 3.350 3.505 . 0 0 "[ . 1 . 2]" 1
1744 1 89 ILE H 1 89 ILE HB . . 2.950 2.664 2.653 2.675 . 0 0 "[ . 1 . 2]" 1
1745 1 89 ILE H 1 89 ILE MD . . 3.730 2.153 2.011 2.274 . 0 0 "[ . 1 . 2]" 1
1746 1 89 ILE H 1 89 ILE HG12 . . 3.900 3.769 3.735 3.803 . 0 0 "[ . 1 . 2]" 1
1747 1 89 ILE H 1 89 ILE HG13 . . 3.180 2.507 2.426 2.627 . 0 0 "[ . 1 . 2]" 1
1748 1 89 ILE H 1 89 ILE MG . . 3.810 3.789 3.781 3.796 . 0 0 "[ . 1 . 2]" 1
1749 1 89 ILE HA 1 90 LYS H . . 2.810 2.171 2.153 2.207 . 0 0 "[ . 1 . 2]" 1
1750 1 89 ILE HB 1 89 ILE MD . . 3.320 2.102 2.067 2.144 . 0 0 "[ . 1 . 2]" 1
1751 1 89 ILE HB 1 90 LYS H . . 4.180 3.971 3.849 4.043 . 0 0 "[ . 1 . 2]" 1
1752 1 89 ILE MD 1 89 ILE MG . . 3.310 3.028 2.985 3.081 . 0 0 "[ . 1 . 2]" 1
1753 1 89 ILE MD 1 90 LYS H . . 5.220 5.125 5.066 5.165 . 0 0 "[ . 1 . 2]" 1
1754 1 89 ILE HG13 1 90 LYS H . . 4.800 4.597 4.561 4.619 . 0 0 "[ . 1 . 2]" 1
1755 1 89 ILE MG 1 90 LYS H . . 2.960 2.202 2.007 2.333 . 0 0 "[ . 1 . 2]" 1
1756 1 89 ILE MG 1 90 LYS HA . . 4.990 3.771 3.703 3.826 . 0 0 "[ . 1 . 2]" 1
1757 1 89 ILE MG 1 91 ARG HA . . 5.500 4.261 4.223 4.340 . 0 0 "[ . 1 . 2]" 1
1758 1 90 LYS H 1 90 LYS HB3 . . 3.360 2.727 2.650 2.785 . 0 0 "[ . 1 . 2]" 1
1759 1 90 LYS H 1 90 LYS QD . . 5.290 4.654 4.547 4.734 . 0 0 "[ . 1 . 2]" 1
1760 1 90 LYS H 1 90 LYS QG . . 4.960 4.090 4.006 4.115 . 0 0 "[ . 1 . 2]" 1
1761 1 90 LYS H 1 91 ARG H . . 4.740 4.182 4.114 4.286 . 0 0 "[ . 1 . 2]" 1
1762 1 90 LYS H 1 92 PHE QD . . 4.970 4.816 4.722 4.876 . 0 0 "[ . 1 . 2]" 1
1763 1 90 LYS H 1 92 PHE QE . . 5.340 4.460 3.940 4.655 . 0 0 "[ . 1 . 2]" 1
1764 1 90 LYS HA 1 90 LYS HE2 . . 5.500 5.282 5.133 5.494 . 0 0 "[ . 1 . 2]" 1
1765 1 90 LYS HA 1 90 LYS HE3 . . 5.500 5.321 5.126 5.496 . 0 0 "[ . 1 . 2]" 1
1766 1 90 LYS HA 1 91 ARG H . . 2.610 2.143 2.141 2.152 . 0 0 "[ . 1 . 2]" 1
1767 1 90 LYS HA 1 92 PHE QD . . 5.250 5.013 4.889 5.199 . 0 0 "[ . 1 . 2]" 1
1768 1 90 LYS HA 1 92 PHE QE . . 5.060 4.951 4.666 5.041 . 0 0 "[ . 1 . 2]" 1
1769 1 90 LYS HB3 1 92 PHE QD . . 4.470 3.850 3.688 4.205 . 0 0 "[ . 1 . 2]" 1
1770 1 90 LYS HB3 1 92 PHE QE . . 3.710 2.481 2.287 2.590 . 0 0 "[ . 1 . 2]" 1
1771 1 90 LYS QD 1 92 PHE QE . . 3.380 2.079 1.982 2.624 . 0 0 "[ . 1 . 2]" 1
1772 1 90 LYS QD 1 92 PHE HZ . . 3.200 3.017 2.130 3.227 0.027 17 0 "[ . 1 . 2]" 1
1773 1 90 LYS HD2 1 92 PHE QE . . 4.020 3.779 3.669 4.039 0.019 20 0 "[ . 1 . 2]" 1
1774 1 90 LYS HD3 1 92 PHE QE . . 4.020 2.090 1.989 2.659 . 0 0 "[ . 1 . 2]" 1
1775 1 90 LYS QE 1 92 PHE QD . . 5.340 3.638 3.225 4.306 . 0 0 "[ . 1 . 2]" 1
1776 1 90 LYS QE 1 92 PHE QE . . 4.080 3.086 2.746 3.607 . 0 0 "[ . 1 . 2]" 1
1777 1 90 LYS HE2 1 92 PHE QE . . 4.720 3.155 2.785 3.742 . 0 0 "[ . 1 . 2]" 1
1778 1 90 LYS HE2 1 92 PHE HZ . . 5.500 3.873 2.830 4.490 . 0 0 "[ . 1 . 2]" 1
1779 1 90 LYS HE3 1 92 PHE QE . . 4.720 4.387 4.164 4.722 0.002 2 0 "[ . 1 . 2]" 1
1780 1 90 LYS HE3 1 92 PHE HZ . . 5.500 5.093 4.300 5.483 . 0 0 "[ . 1 . 2]" 1
1781 1 90 LYS QG 1 91 ARG H . . 2.990 2.904 2.691 3.019 0.029 1 0 "[ . 1 . 2]" 1
1782 1 90 LYS QG 1 92 PHE H . . 5.340 4.996 4.866 5.060 . 0 0 "[ . 1 . 2]" 1
1783 1 90 LYS QG 1 92 PHE QD . . 3.670 3.201 2.742 3.668 . 0 0 "[ . 1 . 2]" 1
1784 1 90 LYS QG 1 92 PHE QE . . 3.430 2.960 2.454 3.371 . 0 0 "[ . 1 . 2]" 1
1785 1 90 LYS HG2 1 91 ARG H . . 3.640 3.085 2.787 3.468 . 0 0 "[ . 1 . 2]" 1
1786 1 90 LYS HG3 1 91 ARG H . . 3.640 3.581 3.251 3.658 0.018 4 0 "[ . 1 . 2]" 1
1787 1 91 ARG H 1 91 ARG HB2 . . 3.110 2.558 2.331 2.748 . 0 0 "[ . 1 . 2]" 1
1788 1 91 ARG H 1 91 ARG HB3 . . 3.110 2.521 2.353 2.758 . 0 0 "[ . 1 . 2]" 1
1789 1 91 ARG H 1 91 ARG QD . . 4.590 4.376 4.213 4.604 0.014 17 0 "[ . 1 . 2]" 1
1790 1 91 ARG H 1 91 ARG HG2 . . 4.630 4.474 4.328 4.617 . 0 0 "[ . 1 . 2]" 1
1791 1 91 ARG H 1 92 PHE H . . 4.700 4.618 4.605 4.626 . 0 0 "[ . 1 . 2]" 1
1792 1 91 ARG H 1 92 PHE QD . . 4.540 4.437 4.337 4.586 0.046 1 0 "[ . 1 . 2]" 1
1793 1 91 ARG HA 1 91 ARG HD2 . . 5.280 4.118 3.800 4.621 . 0 0 "[ . 1 . 2]" 1
1794 1 91 ARG HA 1 91 ARG QD . . 4.610 3.807 3.547 4.214 . 0 0 "[ . 1 . 2]" 1
1795 1 91 ARG HA 1 91 ARG HD3 . . 5.280 4.497 4.205 4.903 . 0 0 "[ . 1 . 2]" 1
1796 1 91 ARG HA 1 92 PHE H . . 2.880 2.244 2.224 2.274 . 0 0 "[ . 1 . 2]" 1
1797 1 91 ARG HA 1 92 PHE HB2 . . 5.470 4.225 4.173 4.313 . 0 0 "[ . 1 . 2]" 1
1798 1 91 ARG HA 1 92 PHE QD . . 3.530 3.315 3.107 3.451 . 0 0 "[ . 1 . 2]" 1
1799 1 91 ARG HA 1 92 PHE QE . . 5.410 5.215 4.774 5.433 0.023 14 0 "[ . 1 . 2]" 1
1800 1 91 ARG HA 1 93 GLY H . . 3.890 3.916 3.873 3.964 0.074 2 0 "[ . 1 . 2]" 1
1801 1 91 ARG QB 1 91 ARG QD . . 3.310 2.117 2.035 2.284 . 0 0 "[ . 1 . 2]" 1
1802 1 91 ARG QB 1 92 PHE H . . 4.080 3.524 3.486 3.555 . 0 0 "[ . 1 . 2]" 1
1803 1 91 ARG QB 1 92 PHE QD . . 5.340 4.662 4.578 4.799 . 0 0 "[ . 1 . 2]" 1
1804 1 91 ARG QB 1 93 GLY H . . 4.880 4.479 4.357 4.628 . 0 0 "[ . 1 . 2]" 1
1805 1 91 ARG QD 1 92 PHE H . . 4.560 4.312 4.130 4.506 . 0 0 "[ . 1 . 2]" 1
1806 1 91 ARG QD 1 93 GLY H . . 4.800 4.496 4.049 4.818 0.018 18 0 "[ . 1 . 2]" 1
1807 1 91 ARG HG2 1 92 PHE H . . 3.660 2.900 2.523 3.095 . 0 0 "[ . 1 . 2]" 1
1808 1 91 ARG HG2 1 93 GLY H . . 3.390 3.082 2.801 3.376 . 0 0 "[ . 1 . 2]" 1
1809 1 91 ARG HG2 1 93 GLY QA . . 4.860 3.768 3.409 4.005 . 0 0 "[ . 1 . 2]" 1
1810 1 91 ARG HG3 1 92 PHE H . . 3.640 2.408 2.133 2.800 . 0 0 "[ . 1 . 2]" 1
1811 1 91 ARG HG3 1 93 GLY H . . 3.350 2.844 2.469 3.371 0.021 6 0 "[ . 1 . 2]" 1
1812 1 92 PHE H 1 92 PHE HB2 . . 3.280 2.483 2.425 2.612 . 0 0 "[ . 1 . 2]" 1
1813 1 92 PHE H 1 92 PHE HB3 . . 3.750 3.628 3.588 3.746 . 0 0 "[ . 1 . 2]" 1
1814 1 92 PHE H 1 92 PHE QD . . 3.230 3.028 2.853 3.165 . 0 0 "[ . 1 . 2]" 1
1815 1 92 PHE H 1 92 PHE QE . . 5.500 5.309 5.121 5.449 . 0 0 "[ . 1 . 2]" 1
1816 1 92 PHE H 1 93 GLY H . . 2.750 1.871 1.824 1.918 . 0 0 "[ . 1 . 2]" 1
1817 1 92 PHE H 1 93 GLY HA2 . . 4.710 4.424 4.074 4.596 . 0 0 "[ . 1 . 2]" 1
1818 1 92 PHE H 1 93 GLY QA . . 4.000 3.805 3.696 3.868 . 0 0 "[ . 1 . 2]" 1
1819 1 92 PHE H 1 93 GLY HA3 . . 4.710 4.174 4.086 4.327 . 0 0 "[ . 1 . 2]" 1
1820 1 92 PHE HA 1 92 PHE QD . . 3.220 2.897 2.806 3.092 . 0 0 "[ . 1 . 2]" 1
1821 1 92 PHE HA 1 92 PHE QE . . 4.800 4.479 4.436 4.603 . 0 0 "[ . 1 . 2]" 1
1822 1 92 PHE HB2 1 93 GLY H . . 3.490 2.975 2.834 3.034 . 0 0 "[ . 1 . 2]" 1
1823 1 92 PHE HB3 1 93 GLY H . . 3.960 3.545 3.438 3.707 . 0 0 "[ . 1 . 2]" 1
1824 1 92 PHE QD 1 93 GLY H . . 4.600 4.437 4.257 4.493 . 0 0 "[ . 1 . 2]" 1
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