NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463614 |
2rmx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rmx
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 2772
_Distance_constraint_stats_list.Viol_count 800
_Distance_constraint_stats_list.Viol_total 288.415
_Distance_constraint_stats_list.Viol_max 0.163
_Distance_constraint_stats_list.Viol_rms 0.0039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0180
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TRP 0.117 0.012 14 0 "[ . 1 . 2]"
1 9 TYR 0.040 0.007 18 0 "[ . 1 . 2]"
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 MET 0.001 0.001 9 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.001 0.001 9 0 "[ . 1 . 2]"
1 16 GLY 0.009 0.009 14 0 "[ . 1 . 2]"
1 17 GLN 0.022 0.010 3 0 "[ . 1 . 2]"
1 18 ALA 0.159 0.018 4 0 "[ . 1 . 2]"
1 19 GLU 0.532 0.031 7 0 "[ . 1 . 2]"
1 20 THR 0.671 0.031 7 0 "[ . 1 . 2]"
1 21 LEU 0.085 0.017 19 0 "[ . 1 . 2]"
1 22 LEU 0.042 0.008 14 0 "[ . 1 . 2]"
1 23 GLN 0.096 0.027 11 0 "[ . 1 . 2]"
1 24 ALA 0.093 0.027 11 0 "[ . 1 . 2]"
1 25 LYS 0.016 0.006 2 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.005 0.002 5 0 "[ . 1 . 2]"
1 28 PRO 0.068 0.019 14 0 "[ . 1 . 2]"
1 29 TRP 0.045 0.015 12 0 "[ . 1 . 2]"
1 30 THR 0.063 0.008 14 0 "[ . 1 . 2]"
1 31 PHE 0.021 0.011 12 0 "[ . 1 . 2]"
1 32 LEU 0.063 0.044 12 0 "[ . 1 . 2]"
1 33 VAL 0.178 0.022 14 0 "[ . 1 . 2]"
1 34 ARG 0.121 0.018 12 0 "[ . 1 . 2]"
1 35 GLU 0.733 0.105 20 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.322 0.163 18 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLN 0.283 0.066 9 0 "[ . 1 . 2]"
1 40 PRO 0.102 0.023 20 0 "[ . 1 . 2]"
1 41 GLY 0.094 0.023 20 0 "[ . 1 . 2]"
1 42 ASP 0.069 0.045 12 0 "[ . 1 . 2]"
1 43 PHE 0.009 0.005 12 0 "[ . 1 . 2]"
1 44 VAL 0.059 0.018 12 0 "[ . 1 . 2]"
1 45 LEU 0.164 0.029 10 0 "[ . 1 . 2]"
1 46 SER 0.123 0.044 12 0 "[ . 1 . 2]"
1 47 VAL 0.066 0.027 12 0 "[ . 1 . 2]"
1 48 LEU 0.149 0.019 14 0 "[ . 1 . 2]"
1 49 SER 1.195 0.065 12 0 "[ . 1 . 2]"
1 50 ASP 0.122 0.038 5 0 "[ . 1 . 2]"
1 51 GLN 1.265 0.065 12 0 "[ . 1 . 2]"
1 52 PRO 0.143 0.029 9 0 "[ . 1 . 2]"
1 53 LYS 0.076 0.021 14 0 "[ . 1 . 2]"
1 54 ALA 0.184 0.062 14 0 "[ . 1 . 2]"
1 55 GLY 0.089 0.079 14 0 "[ . 1 . 2]"
1 56 PRO 0.090 0.079 14 0 "[ . 1 . 2]"
1 58 SER 0.141 0.062 14 0 "[ . 1 . 2]"
1 59 PRO 0.122 0.025 14 0 "[ . 1 . 2]"
1 60 LEU 0.122 0.025 14 0 "[ . 1 . 2]"
1 61 ARG 0.453 0.136 17 0 "[ . 1 . 2]"
1 62 VAL 0.045 0.027 14 0 "[ . 1 . 2]"
1 63 THR 0.006 0.003 3 0 "[ . 1 . 2]"
1 64 HIS 0.031 0.010 20 0 "[ . 1 . 2]"
1 65 ILE 0.066 0.031 20 0 "[ . 1 . 2]"
1 66 LYS 0.106 0.069 20 0 "[ . 1 . 2]"
1 67 VAL 0.070 0.023 20 0 "[ . 1 . 2]"
1 68 MET 0.054 0.015 14 0 "[ . 1 . 2]"
1 69 CYS 0.154 0.146 15 0 "[ . 1 . 2]"
1 70 GLU 0.023 0.023 11 0 "[ . 1 . 2]"
1 71 GLY 0.040 0.036 11 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.266 0.127 14 0 "[ . 1 . 2]"
1 74 TYR 0.107 0.047 11 0 "[ . 1 . 2]"
1 75 THR 0.309 0.047 11 0 "[ . 1 . 2]"
1 76 VAL 0.239 0.072 11 0 "[ . 1 . 2]"
1 77 GLY 0.275 0.072 11 0 "[ . 1 . 2]"
1 78 GLY 0.345 0.040 11 0 "[ . 1 . 2]"
1 79 LEU 0.381 0.096 9 0 "[ . 1 . 2]"
1 80 GLU 0.055 0.007 11 0 "[ . 1 . 2]"
1 81 THR 0.059 0.011 15 0 "[ . 1 . 2]"
1 82 PHE 0.101 0.013 15 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.003 0.003 18 0 "[ . 1 . 2]"
1 85 LEU 0.032 0.009 15 0 "[ . 1 . 2]"
1 86 THR 0.002 0.002 3 0 "[ . 1 . 2]"
1 87 ASP 0.015 0.008 7 0 "[ . 1 . 2]"
1 88 LEU 0.098 0.033 8 0 "[ . 1 . 2]"
1 89 VAL 0.048 0.008 13 0 "[ . 1 . 2]"
1 90 GLU 0.044 0.009 13 0 "[ . 1 . 2]"
1 91 HIS 1.709 0.098 18 0 "[ . 1 . 2]"
1 92 PHE 1.735 0.098 18 0 "[ . 1 . 2]"
1 93 LYS 0.053 0.009 13 0 "[ . 1 . 2]"
1 94 LYS 0.236 0.034 11 0 "[ . 1 . 2]"
1 95 THR 0.044 0.009 8 0 "[ . 1 . 2]"
1 96 GLY 0.004 0.002 9 0 "[ . 1 . 2]"
1 97 ILE 0.025 0.005 20 0 "[ . 1 . 2]"
1 98 GLU 0.232 0.039 1 0 "[ . 1 . 2]"
1 99 GLU 0.063 0.019 9 0 "[ . 1 . 2]"
1 100 ALA 0.012 0.006 6 0 "[ . 1 . 2]"
1 101 SER 0.024 0.024 14 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ALA 1.383 0.078 9 0 "[ . 1 . 2]"
1 104 PHE 1.547 0.078 9 0 "[ . 1 . 2]"
1 105 VAL 0.016 0.005 6 0 "[ . 1 . 2]"
1 106 TYR 0.060 0.021 12 0 "[ . 1 . 2]"
1 107 LEU 0.035 0.011 12 0 "[ . 1 . 2]"
1 108 ARG 0.058 0.021 12 0 "[ . 1 . 2]"
1 109 GLN 0.065 0.008 11 0 "[ . 1 . 2]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 TYR 0.015 0.005 1 0 "[ . 1 . 2]"
1 112 TYR 0.002 0.002 20 0 "[ . 1 . 2]"
1 113 SER 0.005 0.005 1 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ILE 0.067 0.017 19 0 "[ . 1 . 2]"
2 8 PTR 0.100 0.069 20 0 "[ . 1 . 2]"
2 9 SER 1.703 0.096 6 0 "[ . 1 . 2]"
2 10 ASP 1.875 0.096 6 0 "[ . 1 . 2]"
2 11 LEU 0.482 0.062 11 0 "[ . 1 . 2]"
2 12 ASN 0.099 0.043 13 0 "[ . 1 . 2]"
2 13 LEU 1.344 0.094 4 0 "[ . 1 . 2]"
2 14 PRO 1.253 0.094 4 0 "[ . 1 . 2]"
2 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 TRP H . . 3.300 2.176 2.108 2.366 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 TRP HB3 . . 4.800 4.519 4.475 4.564 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 TRP HD1 . . 5.220 4.463 4.370 4.550 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY QA 1 9 TYR H . . 4.230 3.403 3.142 3.820 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY QA 1 112 TYR QD . . 4.760 4.576 4.173 4.755 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY QA 1 112 TYR QE . . 3.990 3.510 3.066 3.894 . 0 0 "[ . 1 . 2]" 1
7 1 8 TRP H 1 8 TRP HB3 . . 4.080 3.412 3.329 3.477 . 0 0 "[ . 1 . 2]" 1
8 1 8 TRP H 1 8 TRP HD1 . . 4.140 3.928 3.785 4.058 . 0 0 "[ . 1 . 2]" 1
9 1 8 TRP H 1 9 TYR H . . 3.550 2.524 2.350 2.716 . 0 0 "[ . 1 . 2]" 1
10 1 8 TRP H 1 33 VAL MG2 . . 4.390 4.391 4.369 4.402 0.012 14 0 "[ . 1 . 2]" 1
11 1 8 TRP H 1 110 PRO HB3 . . 5.420 5.098 4.901 5.363 . 0 0 "[ . 1 . 2]" 1
12 1 8 TRP HA 1 8 TRP HD1 . . 4.500 4.459 4.450 4.468 . 0 0 "[ . 1 . 2]" 1
13 1 8 TRP HA 1 10 HIS HD2 . . 4.660 4.202 3.597 4.423 . 0 0 "[ . 1 . 2]" 1
14 1 8 TRP HA 1 32 LEU HA . . 5.050 4.471 4.307 4.755 . 0 0 "[ . 1 . 2]" 1
15 1 8 TRP HA 1 110 PRO HB2 . . 4.540 3.414 3.222 3.698 . 0 0 "[ . 1 . 2]" 1
16 1 8 TRP HA 1 110 PRO HB3 . . 5.360 4.259 4.094 4.556 . 0 0 "[ . 1 . 2]" 1
17 1 8 TRP HA 1 111 TYR H . . 4.610 3.752 3.483 3.977 . 0 0 "[ . 1 . 2]" 1
18 1 8 TRP HB2 1 8 TRP HD1 . . 3.890 3.589 3.575 3.606 . 0 0 "[ . 1 . 2]" 1
19 1 8 TRP HB2 1 8 TRP HE3 . . 4.210 2.987 2.959 3.012 . 0 0 "[ . 1 . 2]" 1
20 1 8 TRP HB2 1 32 LEU HA . . 4.100 2.641 2.495 2.845 . 0 0 "[ . 1 . 2]" 1
21 1 8 TRP HB2 1 33 VAL H . . 4.560 2.501 2.269 2.651 . 0 0 "[ . 1 . 2]" 1
22 1 8 TRP HB2 1 33 VAL MG2 . . 4.290 2.739 2.547 2.907 . 0 0 "[ . 1 . 2]" 1
23 1 8 TRP HB2 1 110 PRO HA . . 4.660 4.452 4.351 4.565 . 0 0 "[ . 1 . 2]" 1
24 1 8 TRP HB2 1 110 PRO HB2 . . 4.450 3.611 3.440 3.916 . 0 0 "[ . 1 . 2]" 1
25 1 8 TRP HB2 1 110 PRO HB3 . . 4.350 3.414 3.289 3.840 . 0 0 "[ . 1 . 2]" 1
26 1 8 TRP HB2 1 111 TYR H . . 4.720 3.787 3.621 3.941 . 0 0 "[ . 1 . 2]" 1
27 1 8 TRP HB3 1 8 TRP HD1 . . 3.480 2.547 2.546 2.549 . 0 0 "[ . 1 . 2]" 1
28 1 8 TRP HB3 1 8 TRP HE1 . . 4.970 4.751 4.750 4.753 . 0 0 "[ . 1 . 2]" 1
29 1 8 TRP HB3 1 31 PHE HZ . . 4.640 4.018 3.690 4.303 . 0 0 "[ . 1 . 2]" 1
30 1 8 TRP HB3 1 32 LEU HA . . 4.210 3.676 3.402 3.928 . 0 0 "[ . 1 . 2]" 1
31 1 8 TRP HB3 1 33 VAL H . . 4.690 4.172 3.927 4.325 . 0 0 "[ . 1 . 2]" 1
32 1 8 TRP HB3 1 33 VAL MG2 . . 4.800 4.176 3.964 4.325 . 0 0 "[ . 1 . 2]" 1
33 1 8 TRP HB3 1 110 PRO HA . . 4.210 3.714 3.531 3.944 . 0 0 "[ . 1 . 2]" 1
34 1 8 TRP HB3 1 110 PRO HB2 . . 4.000 2.095 1.998 2.327 . 0 0 "[ . 1 . 2]" 1
35 1 8 TRP HB3 1 110 PRO HB3 . . 3.770 2.122 2.000 2.470 . 0 0 "[ . 1 . 2]" 1
36 1 8 TRP HB3 1 110 PRO QG . . 4.500 3.363 3.211 3.797 . 0 0 "[ . 1 . 2]" 1
37 1 8 TRP HB3 1 111 TYR H . . 4.380 3.019 2.800 3.142 . 0 0 "[ . 1 . 2]" 1
38 1 8 TRP HB3 1 112 TYR QE . . 4.400 3.871 3.215 4.209 . 0 0 "[ . 1 . 2]" 1
39 1 8 TRP HD1 1 31 PHE HZ . . 4.010 2.201 2.025 2.468 . 0 0 "[ . 1 . 2]" 1
40 1 8 TRP HD1 1 89 VAL MG1 . . 4.680 4.234 3.983 4.493 . 0 0 "[ . 1 . 2]" 1
41 1 8 TRP HD1 1 110 PRO HA . . 4.680 4.326 4.172 4.538 . 0 0 "[ . 1 . 2]" 1
42 1 8 TRP HD1 1 110 PRO HB2 . . 3.990 3.398 3.191 3.628 . 0 0 "[ . 1 . 2]" 1
43 1 8 TRP HD1 1 110 PRO HB3 . . 3.620 2.142 2.012 2.290 . 0 0 "[ . 1 . 2]" 1
44 1 8 TRP HD1 1 110 PRO QD . . 4.140 3.680 3.487 4.056 . 0 0 "[ . 1 . 2]" 1
45 1 8 TRP HD1 1 110 PRO QG . . 3.780 2.681 2.387 3.100 . 0 0 "[ . 1 . 2]" 1
46 1 8 TRP HD1 1 112 TYR QE . . 4.690 4.439 3.885 4.679 . 0 0 "[ . 1 . 2]" 1
47 1 8 TRP HE1 1 31 PHE HZ . . 4.710 3.255 3.018 3.463 . 0 0 "[ . 1 . 2]" 1
48 1 8 TRP HE1 1 89 VAL MG1 . . 4.340 3.531 3.174 3.716 . 0 0 "[ . 1 . 2]" 1
49 1 8 TRP HE3 1 9 TYR H . . 4.390 3.222 3.044 3.318 . 0 0 "[ . 1 . 2]" 1
50 1 8 TRP HE3 1 9 TYR HA . . 4.000 2.836 2.689 2.917 . 0 0 "[ . 1 . 2]" 1
51 1 8 TRP HE3 1 9 TYR HB2 . . 4.260 2.972 2.764 3.085 . 0 0 "[ . 1 . 2]" 1
52 1 8 TRP HE3 1 9 TYR HB3 . . 4.630 4.448 4.271 4.528 . 0 0 "[ . 1 . 2]" 1
53 1 8 TRP HE3 1 9 TYR QD . . 4.260 3.074 2.949 3.291 . 0 0 "[ . 1 . 2]" 1
54 1 8 TRP HE3 1 33 VAL H . . 4.060 3.372 3.223 3.453 . 0 0 "[ . 1 . 2]" 1
55 1 8 TRP HE3 1 33 VAL HB . . 3.350 2.226 2.071 2.404 . 0 0 "[ . 1 . 2]" 1
56 1 8 TRP HE3 1 33 VAL MG1 . . 4.100 3.501 3.328 3.739 . 0 0 "[ . 1 . 2]" 1
57 1 8 TRP HE3 1 33 VAL MG2 . . 3.300 2.155 2.052 2.289 . 0 0 "[ . 1 . 2]" 1
58 1 8 TRP HE3 1 89 VAL MG2 . . 5.090 4.814 4.657 4.958 . 0 0 "[ . 1 . 2]" 1
59 1 8 TRP HH2 1 9 TYR QD . . 5.040 4.635 4.328 4.897 . 0 0 "[ . 1 . 2]" 1
60 1 8 TRP HH2 1 33 VAL HB . . 5.500 5.431 5.220 5.507 0.007 14 0 "[ . 1 . 2]" 1
61 1 8 TRP HH2 1 33 VAL MG2 . . 4.480 3.787 3.589 4.041 . 0 0 "[ . 1 . 2]" 1
62 1 8 TRP HH2 1 85 LEU HB2 . . 3.820 2.545 2.334 2.729 . 0 0 "[ . 1 . 2]" 1
63 1 8 TRP HH2 1 85 LEU HB3 . . 3.820 2.342 2.105 2.561 . 0 0 "[ . 1 . 2]" 1
64 1 8 TRP HH2 1 85 LEU MD1 . . 5.010 4.357 4.092 4.559 . 0 0 "[ . 1 . 2]" 1
65 1 8 TRP HH2 1 85 LEU MD2 . . 5.420 4.422 4.323 4.560 . 0 0 "[ . 1 . 2]" 1
66 1 8 TRP HH2 1 85 LEU HG . . 4.740 4.151 3.813 4.382 . 0 0 "[ . 1 . 2]" 1
67 1 8 TRP HH2 1 86 THR H . . 4.510 2.971 2.494 3.150 . 0 0 "[ . 1 . 2]" 1
68 1 8 TRP HH2 1 86 THR HA . . 3.410 3.168 2.995 3.254 . 0 0 "[ . 1 . 2]" 1
69 1 8 TRP HH2 1 86 THR HB . . 4.670 4.601 4.524 4.670 0.000 8 0 "[ . 1 . 2]" 1
70 1 8 TRP HH2 1 86 THR MG . . 4.480 4.421 4.303 4.480 . 18 0 "[ . 1 . 2]" 1
71 1 8 TRP HH2 1 89 VAL HB . . 5.180 4.880 4.620 4.986 . 0 0 "[ . 1 . 2]" 1
72 1 8 TRP HH2 1 89 VAL MG1 . . 5.500 5.446 5.277 5.502 0.002 8 0 "[ . 1 . 2]" 1
73 1 8 TRP HH2 1 89 VAL MG2 . . 4.040 3.860 3.671 4.040 0.000 3 0 "[ . 1 . 2]" 1
74 1 8 TRP HZ2 1 86 THR H . . 4.800 3.960 3.571 4.208 . 0 0 "[ . 1 . 2]" 1
75 1 8 TRP HZ2 1 86 THR HA . . 3.030 2.032 1.997 2.266 . 0 0 "[ . 1 . 2]" 1
76 1 8 TRP HZ2 1 86 THR HB . . 4.890 4.442 4.329 4.561 . 0 0 "[ . 1 . 2]" 1
77 1 8 TRP HZ2 1 86 THR HG1 . . 4.770 2.788 2.254 3.956 . 0 0 "[ . 1 . 2]" 1
78 1 8 TRP HZ2 1 86 THR MG . . 3.390 3.138 2.987 3.249 . 0 0 "[ . 1 . 2]" 1
79 1 8 TRP HZ2 1 89 VAL HB . . 4.040 3.686 3.498 3.794 . 0 0 "[ . 1 . 2]" 1
80 1 8 TRP HZ2 1 89 VAL MG1 . . 4.360 4.251 4.087 4.361 0.001 11 0 "[ . 1 . 2]" 1
81 1 8 TRP HZ2 1 89 VAL MG2 . . 4.160 3.796 3.624 3.987 . 0 0 "[ . 1 . 2]" 1
82 1 8 TRP HZ3 1 9 TYR H . . 4.950 4.857 4.630 4.957 0.007 18 0 "[ . 1 . 2]" 1
83 1 8 TRP HZ3 1 9 TYR HA . . 4.870 4.156 3.949 4.276 . 0 0 "[ . 1 . 2]" 1
84 1 8 TRP HZ3 1 9 TYR HB2 . . 4.010 3.167 2.897 3.286 . 0 0 "[ . 1 . 2]" 1
85 1 8 TRP HZ3 1 9 TYR HB3 . . 4.970 4.878 4.633 4.973 0.003 6 0 "[ . 1 . 2]" 1
86 1 8 TRP HZ3 1 9 TYR QD . . 2.850 2.307 2.006 2.586 . 0 0 "[ . 1 . 2]" 1
87 1 8 TRP HZ3 1 33 VAL H . . 5.500 5.352 5.191 5.463 . 0 0 "[ . 1 . 2]" 1
88 1 8 TRP HZ3 1 33 VAL HB . . 3.880 3.232 3.080 3.338 . 0 0 "[ . 1 . 2]" 1
89 1 8 TRP HZ3 1 33 VAL MG1 . . 4.070 2.878 2.648 3.266 . 0 0 "[ . 1 . 2]" 1
90 1 8 TRP HZ3 1 33 VAL MG2 . . 3.410 2.734 2.370 3.204 . 0 0 "[ . 1 . 2]" 1
91 1 8 TRP HZ3 1 85 LEU HB2 . . 4.450 3.169 3.005 3.495 . 0 0 "[ . 1 . 2]" 1
92 1 8 TRP HZ3 1 85 LEU QB . . 3.800 2.667 2.543 2.888 . 0 0 "[ . 1 . 2]" 1
93 1 8 TRP HZ3 1 85 LEU HB3 . . 4.450 2.872 2.714 3.078 . 0 0 "[ . 1 . 2]" 1
94 1 8 TRP HZ3 1 85 LEU MD1 . . 5.040 4.213 3.844 4.434 . 0 0 "[ . 1 . 2]" 1
95 1 8 TRP HZ3 1 85 LEU MD2 . . 5.470 4.329 4.199 4.424 . 0 0 "[ . 1 . 2]" 1
96 1 8 TRP HZ3 1 85 LEU HG . . 4.290 3.252 3.079 3.457 . 0 0 "[ . 1 . 2]" 1
97 1 8 TRP HZ3 1 86 THR HA . . 5.500 5.446 5.308 5.502 0.002 3 0 "[ . 1 . 2]" 1
98 1 8 TRP HZ3 1 89 VAL MG2 . . 4.720 4.413 4.246 4.552 . 0 0 "[ . 1 . 2]" 1
99 1 9 TYR H 1 9 TYR HB2 . . 3.530 2.582 2.479 2.716 . 0 0 "[ . 1 . 2]" 1
100 1 9 TYR H 1 9 TYR HB3 . . 3.390 2.800 2.710 2.853 . 0 0 "[ . 1 . 2]" 1
101 1 9 TYR H 1 9 TYR QD . . 4.350 4.250 4.176 4.309 . 0 0 "[ . 1 . 2]" 1
102 1 9 TYR H 1 10 HIS HD2 . . 5.290 4.769 4.173 5.153 . 0 0 "[ . 1 . 2]" 1
103 1 9 TYR HA 1 9 TYR QD . . 3.510 2.742 2.398 2.900 . 0 0 "[ . 1 . 2]" 1
104 1 9 TYR HA 1 9 TYR QE . . 4.550 4.458 4.330 4.534 . 0 0 "[ . 1 . 2]" 1
105 1 9 TYR HA 1 10 HIS HD2 . . 4.720 3.689 3.214 4.010 . 0 0 "[ . 1 . 2]" 1
106 1 9 TYR HA 1 33 VAL H . . 4.330 3.647 3.431 3.935 . 0 0 "[ . 1 . 2]" 1
107 1 9 TYR HA 1 33 VAL HB . . 3.990 2.332 2.134 2.887 . 0 0 "[ . 1 . 2]" 1
108 1 9 TYR HA 1 33 VAL MG2 . . 4.860 3.813 3.712 4.113 . 0 0 "[ . 1 . 2]" 1
109 1 9 TYR QD 1 10 HIS H . . 4.490 3.820 3.534 4.171 . 0 0 "[ . 1 . 2]" 1
110 1 9 TYR QD 1 11 GLY H . . 4.750 4.169 2.828 4.483 . 0 0 "[ . 1 . 2]" 1
111 1 9 TYR QD 1 11 GLY QA . . 4.260 3.701 3.326 4.049 . 0 0 "[ . 1 . 2]" 1
112 1 9 TYR QD 1 33 VAL HB . . 3.420 2.543 2.247 2.848 . 0 0 "[ . 1 . 2]" 1
113 1 9 TYR QD 1 33 VAL MG1 . . 3.280 2.194 1.957 3.121 . 0 0 "[ . 1 . 2]" 1
114 1 9 TYR QD 1 33 VAL MG2 . . 4.080 3.438 3.161 3.898 . 0 0 "[ . 1 . 2]" 1
115 1 9 TYR QD 1 85 LEU MD1 . . 5.210 4.705 4.363 4.931 . 0 0 "[ . 1 . 2]" 1
116 1 9 TYR QD 1 85 LEU MD2 . . 4.640 4.435 4.284 4.593 . 0 0 "[ . 1 . 2]" 1
117 1 9 TYR QE 1 11 GLY H . . 4.680 4.465 4.013 4.662 . 0 0 "[ . 1 . 2]" 1
118 1 9 TYR QE 1 11 GLY HA2 . . 4.250 3.276 2.906 3.739 . 0 0 "[ . 1 . 2]" 1
119 1 9 TYR QE 1 11 GLY HA3 . . 4.250 3.826 3.304 4.249 . 0 0 "[ . 1 . 2]" 1
120 1 9 TYR QE 1 33 VAL HB . . 4.210 4.146 3.931 4.212 0.002 12 0 "[ . 1 . 2]" 1
121 1 9 TYR QE 1 33 VAL MG1 . . 3.450 2.342 2.017 3.061 . 0 0 "[ . 1 . 2]" 1
122 1 9 TYR QE 1 34 ARG HA . . 4.780 4.517 4.160 4.771 . 0 0 "[ . 1 . 2]" 1
123 1 9 TYR QE 1 43 PHE HB3 . . 4.910 4.256 3.902 4.743 . 0 0 "[ . 1 . 2]" 1
124 1 9 TYR QE 1 43 PHE QD . . 3.190 2.403 2.000 3.184 . 0 0 "[ . 1 . 2]" 1
125 1 9 TYR QE 1 43 PHE QE . . 3.750 2.802 2.154 3.585 . 0 0 "[ . 1 . 2]" 1
126 1 9 TYR QE 1 85 LEU MD2 . . 3.620 3.301 2.943 3.556 . 0 0 "[ . 1 . 2]" 1
127 1 9 TYR QE 1 85 LEU HG . . 4.510 3.138 2.644 3.652 . 0 0 "[ . 1 . 2]" 1
128 1 10 HIS H 1 10 HIS HB2 . . 4.030 2.416 2.263 2.673 . 0 0 "[ . 1 . 2]" 1
129 1 10 HIS H 1 10 HIS HD2 . . 4.780 2.824 2.219 3.184 . 0 0 "[ . 1 . 2]" 1
130 1 10 HIS H 1 11 GLY H . . 4.740 2.593 2.219 3.987 . 0 0 "[ . 1 . 2]" 1
131 1 10 HIS H 1 13 MET ME . . 5.500 4.838 4.154 5.408 . 0 0 "[ . 1 . 2]" 1
132 1 10 HIS H 1 32 LEU QB . . 5.500 5.213 4.825 5.487 . 0 0 "[ . 1 . 2]" 1
133 1 10 HIS H 1 33 VAL H . . 4.890 4.326 3.990 4.581 . 0 0 "[ . 1 . 2]" 1
134 1 10 HIS H 1 34 ARG HA . . 4.820 2.925 2.482 3.586 . 0 0 "[ . 1 . 2]" 1
135 1 10 HIS HA 1 11 GLY QA . . 4.630 4.257 3.960 4.356 . 0 0 "[ . 1 . 2]" 1
136 1 10 HIS HA 1 13 MET ME . . 4.900 4.506 4.185 4.825 . 0 0 "[ . 1 . 2]" 1
137 1 10 HIS HB2 1 13 MET ME . . 3.570 2.794 2.118 3.300 . 0 0 "[ . 1 . 2]" 1
138 1 10 HIS HB2 1 32 LEU MD1 . . 3.820 3.266 2.604 3.614 . 0 0 "[ . 1 . 2]" 1
139 1 10 HIS HB2 1 32 LEU MD2 . . 5.490 5.136 4.225 5.435 . 0 0 "[ . 1 . 2]" 1
140 1 10 HIS HB2 1 34 ARG HA . . 4.650 3.198 2.826 3.793 . 0 0 "[ . 1 . 2]" 1
141 1 10 HIS HB2 1 34 ARG HB3 . . 4.870 2.769 2.229 3.602 . 0 0 "[ . 1 . 2]" 1
142 1 10 HIS HB2 1 34 ARG QD . . 5.340 4.439 3.915 5.076 . 0 0 "[ . 1 . 2]" 1
143 1 10 HIS HB3 1 13 MET QB . . 4.450 3.402 3.008 3.856 . 0 0 "[ . 1 . 2]" 1
144 1 10 HIS HB3 1 13 MET ME . . 3.070 2.455 2.124 2.880 . 0 0 "[ . 1 . 2]" 1
145 1 10 HIS HB3 1 32 LEU MD1 . . 4.770 4.340 3.851 4.660 . 0 0 "[ . 1 . 2]" 1
146 1 10 HIS HB3 1 34 ARG HA . . 5.060 4.659 4.274 5.023 . 0 0 "[ . 1 . 2]" 1
147 1 10 HIS HD2 1 13 MET ME . . 4.710 4.079 3.208 4.700 . 0 0 "[ . 1 . 2]" 1
148 1 10 HIS HD2 1 32 LEU HA . . 4.420 4.157 3.800 4.385 . 0 0 "[ . 1 . 2]" 1
149 1 10 HIS HD2 1 32 LEU QB . . 3.480 2.846 2.474 3.072 . 0 0 "[ . 1 . 2]" 1
150 1 10 HIS HD2 1 32 LEU MD1 . . 4.490 2.460 2.001 3.005 . 0 0 "[ . 1 . 2]" 1
151 1 10 HIS HD2 1 32 LEU MD2 . . 4.480 4.268 3.955 4.477 . 0 0 "[ . 1 . 2]" 1
152 1 10 HIS HD2 1 33 VAL H . . 4.110 3.392 3.015 3.903 . 0 0 "[ . 1 . 2]" 1
153 1 10 HIS HD2 1 111 TYR QD . . 4.530 4.290 3.790 4.526 . 0 0 "[ . 1 . 2]" 1
154 1 10 HIS HE1 1 13 MET ME . . 4.670 3.742 3.071 4.602 . 0 0 "[ . 1 . 2]" 1
155 1 10 HIS HE1 1 111 TYR QD . . 3.750 2.777 2.028 3.472 . 0 0 "[ . 1 . 2]" 1
156 1 10 HIS HE1 1 111 TYR QE . . 4.030 2.901 2.312 3.722 . 0 0 "[ . 1 . 2]" 1
157 1 10 HIS HE1 1 112 TYR HA . . 4.620 3.865 2.772 4.567 . 0 0 "[ . 1 . 2]" 1
158 1 10 HIS HE1 1 113 SER HA . . 4.210 3.500 2.950 4.189 . 0 0 "[ . 1 . 2]" 1
159 1 10 HIS HE1 1 113 SER HB2 . . 4.850 2.952 2.018 4.565 . 0 0 "[ . 1 . 2]" 1
160 1 10 HIS HE1 1 113 SER HB3 . . 4.850 3.044 2.006 3.911 . 0 0 "[ . 1 . 2]" 1
161 1 11 GLY H 1 34 ARG HA . . 4.800 2.386 1.905 4.752 . 0 0 "[ . 1 . 2]" 1
162 1 11 GLY QA 1 34 ARG HA . . 4.550 3.447 3.189 3.925 . 0 0 "[ . 1 . 2]" 1
163 1 11 GLY QA 1 35 GLU H . . 4.870 2.484 1.892 3.609 . 0 0 "[ . 1 . 2]" 1
164 1 13 MET HA 1 13 MET ME . . 4.810 4.075 3.567 4.674 . 0 0 "[ . 1 . 2]" 1
165 1 13 MET HA 1 13 MET HG2 . . 3.990 3.273 2.849 3.707 . 0 0 "[ . 1 . 2]" 1
166 1 13 MET HA 1 13 MET QG . . 3.390 2.451 2.252 2.588 . 0 0 "[ . 1 . 2]" 1
167 1 13 MET HA 1 13 MET HG3 . . 3.990 2.558 2.291 2.854 . 0 0 "[ . 1 . 2]" 1
168 1 13 MET HA 1 14 SER H . . 3.400 2.219 2.141 2.353 . 0 0 "[ . 1 . 2]" 1
169 1 13 MET HA 1 14 SER HA . . 4.570 4.380 4.340 4.429 . 0 0 "[ . 1 . 2]" 1
170 1 13 MET HA 1 17 GLN HB2 . . 4.680 4.471 4.009 4.645 . 0 0 "[ . 1 . 2]" 1
171 1 13 MET HA 1 17 GLN HB3 . . 5.090 4.034 3.278 4.327 . 0 0 "[ . 1 . 2]" 1
172 1 13 MET HA 1 17 GLN QG . . 5.070 4.257 3.771 4.904 . 0 0 "[ . 1 . 2]" 1
173 1 13 MET HA 1 37 LEU MD1 . . 5.420 4.762 3.822 5.367 . 0 0 "[ . 1 . 2]" 1
174 1 13 MET HA 1 37 LEU QD . . 4.360 4.091 3.636 4.350 . 0 0 "[ . 1 . 2]" 1
175 1 13 MET HA 1 37 LEU MD2 . . 5.420 4.628 3.874 5.369 . 0 0 "[ . 1 . 2]" 1
176 1 13 MET QB 1 13 MET ME . . 3.740 2.335 1.953 2.768 . 0 0 "[ . 1 . 2]" 1
177 1 13 MET QB 1 21 LEU MD2 . . 5.340 4.574 4.203 4.893 . 0 0 "[ . 1 . 2]" 1
178 1 13 MET QB 1 34 ARG HA . . 5.290 4.329 3.931 5.085 . 0 0 "[ . 1 . 2]" 1
179 1 13 MET QB 1 34 ARG HB2 . . 3.790 2.389 1.979 3.071 . 0 0 "[ . 1 . 2]" 1
180 1 13 MET QB 1 34 ARG HB3 . . 4.030 3.207 2.729 3.789 . 0 0 "[ . 1 . 2]" 1
181 1 13 MET QB 1 34 ARG QD . . 3.980 2.363 1.887 3.082 . 0 0 "[ . 1 . 2]" 1
182 1 13 MET ME 1 18 ALA HA . . 3.810 3.350 2.420 3.805 . 0 0 "[ . 1 . 2]" 1
183 1 13 MET ME 1 21 LEU HB2 . . 4.790 3.733 2.924 4.384 . 0 0 "[ . 1 . 2]" 1
184 1 13 MET ME 1 21 LEU HB3 . . 4.820 4.079 3.557 4.743 . 0 0 "[ . 1 . 2]" 1
185 1 13 MET ME 1 21 LEU MD1 . . 4.010 2.619 1.953 3.557 . 0 0 "[ . 1 . 2]" 1
186 1 13 MET ME 1 21 LEU MD2 . . 2.710 2.012 1.678 2.691 . 0 0 "[ . 1 . 2]" 1
187 1 13 MET ME 1 32 LEU MD2 . . 3.980 3.314 2.250 3.911 . 0 0 "[ . 1 . 2]" 1
188 1 13 MET ME 1 34 ARG HB3 . . 4.680 3.573 2.369 4.340 . 0 0 "[ . 1 . 2]" 1
189 1 13 MET ME 1 111 TYR QE . . 4.130 3.758 3.316 4.118 . 0 0 "[ . 1 . 2]" 1
190 1 13 MET QG 1 17 GLN H . . 5.160 4.269 3.927 4.561 . 0 0 "[ . 1 . 2]" 1
191 1 13 MET QG 1 17 GLN HB2 . . 3.920 3.335 3.011 3.660 . 0 0 "[ . 1 . 2]" 1
192 1 13 MET QG 1 17 GLN HB3 . . 3.780 2.132 1.967 2.374 . 0 0 "[ . 1 . 2]" 1
193 1 13 MET QG 1 18 ALA H . . 4.010 2.729 2.251 2.923 . 0 0 "[ . 1 . 2]" 1
194 1 13 MET QG 1 18 ALA HA . . 4.670 3.478 2.915 3.934 . 0 0 "[ . 1 . 2]" 1
195 1 13 MET QG 1 18 ALA MB . . 3.610 2.992 2.567 3.450 . 0 0 "[ . 1 . 2]" 1
196 1 13 MET QG 1 21 LEU MD2 . . 4.720 3.726 3.146 4.197 . 0 0 "[ . 1 . 2]" 1
197 1 13 MET QG 1 34 ARG QD . . 4.460 2.639 2.170 3.632 . 0 0 "[ . 1 . 2]" 1
198 1 13 MET HG2 1 14 SER H . . 4.440 3.153 1.981 4.371 . 0 0 "[ . 1 . 2]" 1
199 1 13 MET HG2 1 18 ALA H . . 4.690 2.987 2.279 3.529 . 0 0 "[ . 1 . 2]" 1
200 1 13 MET HG2 1 18 ALA MB . . 4.350 3.103 2.613 3.618 . 0 0 "[ . 1 . 2]" 1
201 1 13 MET HG3 1 14 SER H . . 4.440 2.756 1.925 3.467 . 0 0 "[ . 1 . 2]" 1
202 1 13 MET HG3 1 18 ALA H . . 4.690 3.399 2.946 3.900 . 0 0 "[ . 1 . 2]" 1
203 1 13 MET HG3 1 18 ALA MB . . 4.350 4.010 3.531 4.351 0.001 9 0 "[ . 1 . 2]" 1
204 1 14 SER H 1 14 SER QB . . 3.610 2.538 2.255 3.032 . 0 0 "[ . 1 . 2]" 1
205 1 14 SER H 1 17 GLN HB2 . . 4.250 2.835 2.408 3.319 . 0 0 "[ . 1 . 2]" 1
206 1 14 SER H 1 17 GLN HB3 . . 4.350 2.871 2.314 3.532 . 0 0 "[ . 1 . 2]" 1
207 1 14 SER H 1 18 ALA H . . 5.040 4.138 3.458 4.649 . 0 0 "[ . 1 . 2]" 1
208 1 14 SER HA 1 17 GLN H . . 5.030 4.726 4.437 5.024 . 0 0 "[ . 1 . 2]" 1
209 1 14 SER HA 1 37 LEU MD1 . . 4.430 2.380 1.897 4.187 . 0 0 "[ . 1 . 2]" 1
210 1 14 SER HA 1 37 LEU QD . . 3.660 2.177 1.891 3.244 . 0 0 "[ . 1 . 2]" 1
211 1 14 SER HA 1 37 LEU MD2 . . 4.430 3.503 2.033 4.422 . 0 0 "[ . 1 . 2]" 1
212 1 14 SER HA 1 37 LEU HG . . 4.650 3.698 2.706 4.545 . 0 0 "[ . 1 . 2]" 1
213 1 14 SER QB 1 16 GLY H . . 4.290 3.534 3.021 3.913 . 0 0 "[ . 1 . 2]" 1
214 1 14 SER QB 1 37 LEU QD . . 3.450 2.631 2.001 3.356 . 0 0 "[ . 1 . 2]" 1
215 1 14 SER HB2 1 16 GLY H . . 5.170 4.196 3.056 5.166 . 0 0 "[ . 1 . 2]" 1
216 1 14 SER HB3 1 16 GLY H . . 5.170 4.270 3.501 5.151 . 0 0 "[ . 1 . 2]" 1
217 1 15 GLY QA 1 17 GLN H . . 4.650 3.757 3.536 4.255 . 0 0 "[ . 1 . 2]" 1
218 1 15 GLY QA 1 18 ALA H . . 4.770 3.706 3.433 3.913 . 0 0 "[ . 1 . 2]" 1
219 1 15 GLY QA 1 18 ALA MB . . 3.570 3.023 2.706 3.290 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLY QA 1 64 HIS HE1 . . 4.530 3.970 3.127 4.531 0.001 9 0 "[ . 1 . 2]" 1
221 1 15 GLY QA 2 6 VAL MG1 . . 4.770 3.192 2.357 4.088 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLY QA 2 6 VAL MG2 . . 3.800 2.270 1.799 2.798 . 0 0 "[ . 1 . 2]" 1
223 1 16 GLY H 1 17 GLN H . . 4.200 2.891 2.758 2.984 . 0 0 "[ . 1 . 2]" 1
224 1 16 GLY H 1 19 GLU H . . 5.500 5.243 4.981 5.433 . 0 0 "[ . 1 . 2]" 1
225 1 16 GLY H 2 6 VAL MG1 . . 5.370 2.978 2.416 3.584 . 0 0 "[ . 1 . 2]" 1
226 1 16 GLY H 2 6 VAL MG2 . . 5.500 3.435 2.388 4.486 . 0 0 "[ . 1 . 2]" 1
227 1 16 GLY HA2 1 19 GLU H . . 4.780 3.954 3.818 4.050 . 0 0 "[ . 1 . 2]" 1
228 1 16 GLY HA2 1 19 GLU HB2 . . 3.420 3.039 2.892 3.152 . 0 0 "[ . 1 . 2]" 1
229 1 16 GLY HA2 1 19 GLU HB3 . . 4.700 4.523 4.374 4.642 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLY HA2 1 19 GLU HG3 . . 4.670 3.957 3.639 4.497 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLY HA3 1 17 GLN H . . 3.410 2.910 2.697 3.011 . 0 0 "[ . 1 . 2]" 1
232 1 16 GLY HA3 1 17 GLN HB2 . . 5.040 4.794 4.663 4.905 . 0 0 "[ . 1 . 2]" 1
233 1 16 GLY HA3 1 19 GLU H . . 5.170 5.087 4.934 5.179 0.009 14 0 "[ . 1 . 2]" 1
234 1 16 GLY HA3 1 19 GLU HB2 . . 4.750 4.469 4.277 4.599 . 0 0 "[ . 1 . 2]" 1
235 1 16 GLY HA3 2 6 VAL MG1 . . 4.840 3.398 2.817 4.049 . 0 0 "[ . 1 . 2]" 1
236 1 17 GLN H 1 17 GLN HB2 . . 3.120 2.242 2.190 2.284 . 0 0 "[ . 1 . 2]" 1
237 1 17 GLN H 1 17 GLN HB3 . . 3.230 2.868 2.818 2.921 . 0 0 "[ . 1 . 2]" 1
238 1 17 GLN H 1 17 GLN QG . . 4.100 3.968 3.855 4.063 . 0 0 "[ . 1 . 2]" 1
239 1 17 GLN H 1 18 ALA H . . 3.670 2.871 2.726 2.986 . 0 0 "[ . 1 . 2]" 1
240 1 17 GLN H 1 18 ALA MB . . 4.510 4.281 4.145 4.414 . 0 0 "[ . 1 . 2]" 1
241 1 17 GLN HA 1 17 GLN QG . . 3.220 2.380 2.140 2.816 . 0 0 "[ . 1 . 2]" 1
242 1 17 GLN HA 1 20 THR MG . . 4.830 4.480 4.263 4.603 . 0 0 "[ . 1 . 2]" 1
243 1 17 GLN HA 1 21 LEU H . . 4.590 4.259 4.131 4.384 . 0 0 "[ . 1 . 2]" 1
244 1 17 GLN HA 1 21 LEU MD1 . . 4.560 3.047 2.959 3.142 . 0 0 "[ . 1 . 2]" 1
245 1 17 GLN HA 1 21 LEU MD2 . . 5.500 5.471 5.385 5.510 0.010 3 0 "[ . 1 . 2]" 1
246 1 17 GLN HA 1 21 LEU HG . . 5.500 5.404 5.255 5.491 . 0 0 "[ . 1 . 2]" 1
247 1 17 GLN HB2 1 18 ALA H . . 3.980 3.314 3.272 3.361 . 0 0 "[ . 1 . 2]" 1
248 1 17 GLN HB2 1 18 ALA MB . . 5.100 4.933 4.888 4.980 . 0 0 "[ . 1 . 2]" 1
249 1 17 GLN HB3 1 18 ALA H . . 3.930 2.055 2.014 2.197 . 0 0 "[ . 1 . 2]" 1
250 1 17 GLN HB3 1 18 ALA HA . . 4.680 3.796 3.780 3.829 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLN HB3 1 18 ALA MB . . 4.760 3.733 3.674 3.824 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLN HB3 1 21 LEU MD1 . . 4.410 2.882 2.770 2.974 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLN HB3 1 21 LEU MD2 . . 4.820 4.594 4.478 4.700 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLN QE 1 21 LEU MD1 . . 4.700 3.069 2.250 3.538 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLN QE 1 21 LEU MD2 . . 4.340 3.733 2.471 4.331 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLN QG 1 18 ALA H . . 4.700 3.664 3.547 3.787 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLN QG 1 18 ALA HA . . 4.520 4.191 4.037 4.296 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLN QG 1 18 ALA MB . . 5.030 4.768 4.669 4.827 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLN QG 1 20 THR HB . . 4.760 3.705 3.528 4.015 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLN QG 1 21 LEU MD1 . . 4.430 1.797 1.728 1.898 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLN QG 1 21 LEU MD2 . . 3.500 3.244 3.110 3.353 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLN QG 1 21 LEU HG . . 3.940 3.665 3.562 3.843 . 0 0 "[ . 1 . 2]" 1
263 1 18 ALA H 1 18 ALA MB . . 3.110 2.108 2.062 2.256 . 0 0 "[ . 1 . 2]" 1
264 1 18 ALA H 1 19 GLU H . . 3.810 3.046 2.969 3.105 . 0 0 "[ . 1 . 2]" 1
265 1 18 ALA H 1 34 ARG QD . . 5.340 4.029 3.712 4.314 . 0 0 "[ . 1 . 2]" 1
266 1 18 ALA HA 1 21 LEU H . . 4.210 3.659 3.425 3.796 . 0 0 "[ . 1 . 2]" 1
267 1 18 ALA HA 1 21 LEU HB3 . . 4.580 4.488 4.303 4.585 0.005 14 0 "[ . 1 . 2]" 1
268 1 18 ALA HA 1 21 LEU MD2 . . 3.880 3.749 3.654 3.836 . 0 0 "[ . 1 . 2]" 1
269 1 18 ALA HA 1 21 LEU HG . . 5.090 4.774 4.671 4.855 . 0 0 "[ . 1 . 2]" 1
270 1 18 ALA HA 1 22 LEU MD1 . . 4.540 4.096 3.874 4.320 . 0 0 "[ . 1 . 2]" 1
271 1 18 ALA HA 1 22 LEU HG . . 4.330 4.032 3.796 4.208 . 0 0 "[ . 1 . 2]" 1
272 1 18 ALA HA 1 32 LEU MD1 . . 4.570 3.985 3.731 4.190 . 0 0 "[ . 1 . 2]" 1
273 1 18 ALA HA 1 32 LEU MD2 . . 3.520 3.194 2.898 3.517 . 0 0 "[ . 1 . 2]" 1
274 1 18 ALA HA 1 64 HIS HE1 . . 5.500 5.429 5.352 5.487 . 0 0 "[ . 1 . 2]" 1
275 1 18 ALA MB 1 19 GLU H . . 3.400 2.507 2.392 2.618 . 0 0 "[ . 1 . 2]" 1
276 1 18 ALA MB 1 19 GLU HA . . 4.490 3.675 3.608 3.795 . 0 0 "[ . 1 . 2]" 1
277 1 18 ALA MB 1 19 GLU HG3 . . 4.620 3.927 3.771 4.075 . 0 0 "[ . 1 . 2]" 1
278 1 18 ALA MB 1 20 THR H . . 4.570 4.572 4.528 4.588 0.018 4 0 "[ . 1 . 2]" 1
279 1 18 ALA MB 1 22 LEU MD1 . . 3.550 2.772 2.456 2.954 . 0 0 "[ . 1 . 2]" 1
280 1 18 ALA MB 1 32 LEU MD1 . . 3.120 2.918 2.625 3.110 . 0 0 "[ . 1 . 2]" 1
281 1 18 ALA MB 1 32 LEU MD2 . . 3.280 2.593 2.083 3.052 . 0 0 "[ . 1 . 2]" 1
282 1 18 ALA MB 1 34 ARG HD2 . . 3.880 3.040 2.213 3.835 . 0 0 "[ . 1 . 2]" 1
283 1 18 ALA MB 1 34 ARG QD . . 3.220 2.417 2.006 3.074 . 0 0 "[ . 1 . 2]" 1
284 1 18 ALA MB 1 34 ARG HD3 . . 3.880 2.570 2.152 3.327 . 0 0 "[ . 1 . 2]" 1
285 1 18 ALA MB 1 46 SER HA . . 5.500 5.045 4.838 5.325 . 0 0 "[ . 1 . 2]" 1
286 1 18 ALA MB 1 46 SER HB2 . . 3.890 3.249 2.962 3.514 . 0 0 "[ . 1 . 2]" 1
287 1 18 ALA MB 1 46 SER QB . . 3.350 2.895 2.682 3.149 . 0 0 "[ . 1 . 2]" 1
288 1 18 ALA MB 1 46 SER HB3 . . 3.890 3.260 3.043 3.557 . 0 0 "[ . 1 . 2]" 1
289 1 18 ALA MB 1 46 SER HG . . 4.330 3.480 2.486 3.918 . 0 0 "[ . 1 . 2]" 1
290 1 18 ALA MB 1 62 VAL MG1 . . 4.220 3.367 3.044 3.608 . 0 0 "[ . 1 . 2]" 1
291 1 18 ALA MB 1 62 VAL MG2 . . 4.980 4.560 4.362 4.747 . 0 0 "[ . 1 . 2]" 1
292 1 18 ALA MB 1 64 HIS HE1 . . 3.580 2.684 2.489 2.895 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLU H 1 19 GLU HB2 . . 3.350 2.222 2.192 2.264 . 0 0 "[ . 1 . 2]" 1
294 1 19 GLU H 1 19 GLU HB3 . . 3.530 3.516 3.496 3.539 0.009 1 0 "[ . 1 . 2]" 1
295 1 19 GLU H 1 19 GLU HG2 . . 4.180 3.742 3.531 3.958 . 0 0 "[ . 1 . 2]" 1
296 1 19 GLU H 1 19 GLU HG3 . . 3.640 2.842 2.738 2.928 . 0 0 "[ . 1 . 2]" 1
297 1 19 GLU H 1 20 THR H . . 3.670 2.857 2.748 2.953 . 0 0 "[ . 1 . 2]" 1
298 1 19 GLU H 1 20 THR HB . . 5.440 5.103 5.019 5.203 . 0 0 "[ . 1 . 2]" 1
299 1 19 GLU H 1 62 VAL MG1 . . 4.910 4.010 3.797 4.204 . 0 0 "[ . 1 . 2]" 1
300 1 19 GLU H 1 62 VAL MG2 . . 4.710 4.438 4.310 4.625 . 0 0 "[ . 1 . 2]" 1
301 1 19 GLU H 1 64 HIS HE1 . . 4.600 3.141 2.940 3.410 . 0 0 "[ . 1 . 2]" 1
302 1 19 GLU H 2 6 VAL MG1 . . 5.500 4.529 3.778 5.162 . 0 0 "[ . 1 . 2]" 1
303 1 19 GLU HA 1 19 GLU HG2 . . 3.270 2.267 2.170 2.422 . 0 0 "[ . 1 . 2]" 1
304 1 19 GLU HA 1 19 GLU HG3 . . 3.850 2.933 2.721 3.093 . 0 0 "[ . 1 . 2]" 1
305 1 19 GLU HA 1 22 LEU H . . 4.480 3.851 3.658 4.031 . 0 0 "[ . 1 . 2]" 1
306 1 19 GLU HA 1 22 LEU HB2 . . 3.840 2.836 2.768 2.946 . 0 0 "[ . 1 . 2]" 1
307 1 19 GLU HA 1 22 LEU HB3 . . 4.640 4.316 4.215 4.416 . 0 0 "[ . 1 . 2]" 1
308 1 19 GLU HA 1 22 LEU MD1 . . 3.820 3.134 2.842 3.496 . 0 0 "[ . 1 . 2]" 1
309 1 19 GLU HA 1 22 LEU HG . . 4.910 4.613 4.420 4.860 . 0 0 "[ . 1 . 2]" 1
310 1 19 GLU HA 1 23 GLN H . . 4.520 3.546 3.354 3.790 . 0 0 "[ . 1 . 2]" 1
311 1 19 GLU HA 1 23 GLN HE21 . . 5.500 5.291 5.093 5.477 . 0 0 "[ . 1 . 2]" 1
312 1 19 GLU HA 1 23 GLN HG3 . . 4.190 3.469 3.222 3.707 . 0 0 "[ . 1 . 2]" 1
313 1 19 GLU HA 1 48 LEU MD1 . . 4.520 4.254 4.159 4.345 . 0 0 "[ . 1 . 2]" 1
314 1 19 GLU HA 1 62 VAL MG1 . . 3.540 2.548 2.265 2.900 . 0 0 "[ . 1 . 2]" 1
315 1 19 GLU HA 1 62 VAL MG2 . . 2.850 2.090 1.971 2.279 . 0 0 "[ . 1 . 2]" 1
316 1 19 GLU HB2 1 20 THR H . . 3.520 2.714 2.664 2.793 . 0 0 "[ . 1 . 2]" 1
317 1 19 GLU HB2 1 20 THR HA . . 4.800 4.706 4.681 4.745 . 0 0 "[ . 1 . 2]" 1
318 1 19 GLU HB2 1 20 THR HB . . 5.230 5.198 5.159 5.220 . 0 0 "[ . 1 . 2]" 1
319 1 19 GLU HB2 1 62 VAL MG1 . . 5.100 4.552 4.270 4.725 . 0 0 "[ . 1 . 2]" 1
320 1 19 GLU HB2 1 62 VAL MG2 . . 4.370 4.162 4.061 4.320 . 0 0 "[ . 1 . 2]" 1
321 1 19 GLU HB2 2 6 VAL MG1 . . 5.270 3.754 3.275 4.139 . 0 0 "[ . 1 . 2]" 1
322 1 19 GLU HB3 1 20 THR H . . 3.480 3.139 3.084 3.222 . 0 0 "[ . 1 . 2]" 1
323 1 19 GLU HB3 1 20 THR HB . . 5.500 5.511 5.493 5.520 0.020 7 0 "[ . 1 . 2]" 1
324 1 19 GLU HB3 1 20 THR MG . . 5.500 5.511 5.475 5.531 0.031 7 0 "[ . 1 . 2]" 1
325 1 19 GLU HB3 1 48 LEU MD1 . . 5.500 5.496 5.464 5.517 0.017 14 0 "[ . 1 . 2]" 1
326 1 19 GLU HB3 1 62 VAL HB . . 4.780 4.542 4.344 4.777 . 0 0 "[ . 1 . 2]" 1
327 1 19 GLU HB3 1 62 VAL MG1 . . 4.800 4.470 4.173 4.726 . 0 0 "[ . 1 . 2]" 1
328 1 19 GLU HB3 1 62 VAL MG2 . . 3.910 3.245 3.118 3.423 . 0 0 "[ . 1 . 2]" 1
329 1 19 GLU HB3 2 6 VAL MG1 . . 5.350 4.623 4.208 5.054 . 0 0 "[ . 1 . 2]" 1
330 1 19 GLU HG2 1 22 LEU HB2 . . 5.170 4.775 4.601 4.973 . 0 0 "[ . 1 . 2]" 1
331 1 19 GLU HG2 1 22 LEU MD1 . . 4.970 4.308 4.096 4.566 . 0 0 "[ . 1 . 2]" 1
332 1 19 GLU HG2 1 23 GLN H . . 5.500 5.229 4.986 5.501 0.001 9 0 "[ . 1 . 2]" 1
333 1 19 GLU HG2 1 23 GLN HE22 . . 5.150 4.848 4.412 5.123 . 0 0 "[ . 1 . 2]" 1
334 1 19 GLU HG2 1 62 VAL H . . 4.610 4.300 4.008 4.545 . 0 0 "[ . 1 . 2]" 1
335 1 19 GLU HG2 1 62 VAL HB . . 3.710 2.134 2.004 2.317 . 0 0 "[ . 1 . 2]" 1
336 1 19 GLU HG2 1 62 VAL MG1 . . 3.570 2.638 2.260 2.885 . 0 0 "[ . 1 . 2]" 1
337 1 19 GLU HG2 1 62 VAL MG2 . . 3.240 2.109 1.974 2.322 . 0 0 "[ . 1 . 2]" 1
338 1 19 GLU HG2 1 64 HIS HE1 . . 4.250 3.121 2.731 3.799 . 0 0 "[ . 1 . 2]" 1
339 1 19 GLU HG3 1 20 THR H . . 4.890 4.738 4.703 4.789 . 0 0 "[ . 1 . 2]" 1
340 1 19 GLU HG3 1 62 VAL HB . . 4.070 3.343 3.054 3.642 . 0 0 "[ . 1 . 2]" 1
341 1 19 GLU HG3 1 62 VAL MG1 . . 4.120 3.136 2.606 3.499 . 0 0 "[ . 1 . 2]" 1
342 1 19 GLU HG3 1 62 VAL MG2 . . 3.750 3.536 3.314 3.743 . 0 0 "[ . 1 . 2]" 1
343 1 19 GLU HG3 1 64 HIS HE1 . . 3.960 2.204 2.004 2.426 . 0 0 "[ . 1 . 2]" 1
344 1 19 GLU HG3 2 6 VAL MG1 . . 4.600 3.110 2.476 3.855 . 0 0 "[ . 1 . 2]" 1
345 1 20 THR H 1 20 THR HB . . 3.000 2.582 2.553 2.609 . 0 0 "[ . 1 . 2]" 1
346 1 20 THR H 1 20 THR MG . . 3.970 3.767 3.765 3.771 . 0 0 "[ . 1 . 2]" 1
347 1 20 THR H 1 21 LEU HG . . 5.500 5.477 5.335 5.517 0.017 19 0 "[ . 1 . 2]" 1
348 1 20 THR H 1 23 GLN H . . 5.350 4.796 4.667 4.926 . 0 0 "[ . 1 . 2]" 1
349 1 20 THR H 1 23 GLN HB2 . . 5.340 4.854 4.743 4.973 . 0 0 "[ . 1 . 2]" 1
350 1 20 THR H 1 62 VAL MG2 . . 5.300 4.962 4.857 5.067 . 0 0 "[ . 1 . 2]" 1
351 1 20 THR HA 1 20 THR MG . . 2.940 2.302 2.275 2.340 . 0 0 "[ . 1 . 2]" 1
352 1 20 THR HA 1 23 GLN H . . 4.170 3.966 3.603 4.133 . 0 0 "[ . 1 . 2]" 1
353 1 20 THR HA 1 23 GLN HB2 . . 3.590 2.839 2.646 2.927 . 0 0 "[ . 1 . 2]" 1
354 1 20 THR HA 1 23 GLN HB3 . . 4.480 4.388 4.266 4.477 . 0 0 "[ . 1 . 2]" 1
355 1 20 THR HA 1 23 GLN HG3 . . 4.680 4.491 4.086 4.675 . 0 0 "[ . 1 . 2]" 1
356 1 20 THR HA 1 24 ALA H . . 4.550 3.604 3.404 3.861 . 0 0 "[ . 1 . 2]" 1
357 1 20 THR HA 1 24 ALA MB . . 4.740 3.973 3.728 4.157 . 0 0 "[ . 1 . 2]" 1
358 1 20 THR HB 1 21 LEU H . . 3.350 2.256 2.051 2.526 . 0 0 "[ . 1 . 2]" 1
359 1 20 THR HB 1 21 LEU HA . . 4.440 4.151 4.096 4.216 . 0 0 "[ . 1 . 2]" 1
360 1 20 THR HB 1 21 LEU MD1 . . 4.360 2.603 2.504 2.706 . 0 0 "[ . 1 . 2]" 1
361 1 20 THR HB 1 21 LEU HG . . 4.110 3.820 3.738 3.948 . 0 0 "[ . 1 . 2]" 1
362 1 20 THR HB 1 22 LEU H . . 5.230 4.893 4.664 5.162 . 0 0 "[ . 1 . 2]" 1
363 1 20 THR HB 1 24 ALA MB . . 4.890 4.847 4.740 4.894 0.004 6 0 "[ . 1 . 2]" 1
364 1 20 THR MG 1 21 LEU H . . 3.900 3.196 2.969 3.467 . 0 0 "[ . 1 . 2]" 1
365 1 20 THR MG 1 21 LEU HA . . 3.910 3.399 3.282 3.573 . 0 0 "[ . 1 . 2]" 1
366 1 20 THR MG 1 21 LEU MD1 . . 3.680 3.599 3.545 3.673 . 0 0 "[ . 1 . 2]" 1
367 1 20 THR MG 1 23 GLN HB2 . . 4.830 4.282 3.958 4.436 . 0 0 "[ . 1 . 2]" 1
368 1 20 THR MG 1 24 ALA H . . 4.700 3.936 3.558 4.115 . 0 0 "[ . 1 . 2]" 1
369 1 21 LEU H 1 21 LEU HB2 . . 3.620 2.585 2.465 2.685 . 0 0 "[ . 1 . 2]" 1
370 1 21 LEU H 1 21 LEU HB3 . . 3.970 3.587 3.584 3.594 . 0 0 "[ . 1 . 2]" 1
371 1 21 LEU H 1 21 LEU MD1 . . 3.870 1.912 1.812 2.018 . 0 0 "[ . 1 . 2]" 1
372 1 21 LEU H 1 21 LEU MD2 . . 4.140 3.903 3.851 3.990 . 0 0 "[ . 1 . 2]" 1
373 1 21 LEU H 1 21 LEU HG . . 3.430 2.826 2.652 3.046 . 0 0 "[ . 1 . 2]" 1
374 1 21 LEU H 1 22 LEU H . . 3.970 2.857 2.629 2.987 . 0 0 "[ . 1 . 2]" 1
375 1 21 LEU HA 1 22 LEU HA . . 5.200 4.764 4.710 4.805 . 0 0 "[ . 1 . 2]" 1
376 1 21 LEU HA 1 24 ALA H . . 4.260 4.037 3.769 4.229 . 0 0 "[ . 1 . 2]" 1
377 1 21 LEU HA 1 24 ALA MB . . 3.290 2.824 2.606 3.017 . 0 0 "[ . 1 . 2]" 1
378 1 21 LEU HA 1 111 TYR QE . . 4.970 4.220 4.063 4.404 . 0 0 "[ . 1 . 2]" 1
379 1 21 LEU HB2 1 21 LEU MD2 . . 3.290 2.633 2.583 2.693 . 0 0 "[ . 1 . 2]" 1
380 1 21 LEU HB2 1 22 LEU H . . 3.950 2.455 2.188 2.724 . 0 0 "[ . 1 . 2]" 1
381 1 21 LEU HB2 1 22 LEU MD2 . . 4.730 4.597 4.455 4.723 . 0 0 "[ . 1 . 2]" 1
382 1 21 LEU HB2 1 111 TYR QE . . 4.150 3.477 3.124 3.874 . 0 0 "[ . 1 . 2]" 1
383 1 21 LEU HB3 1 21 LEU MD2 . . 3.300 2.129 1.969 2.199 . 0 0 "[ . 1 . 2]" 1
384 1 21 LEU HB3 1 22 LEU H . . 4.160 3.565 3.300 3.759 . 0 0 "[ . 1 . 2]" 1
385 1 21 LEU HB3 1 22 LEU HA . . 4.460 4.409 4.300 4.466 0.006 11 0 "[ . 1 . 2]" 1
386 1 21 LEU HB3 1 22 LEU HG . . 5.200 4.605 4.379 4.808 . 0 0 "[ . 1 . 2]" 1
387 1 21 LEU HB3 1 24 ALA MB . . 5.040 4.674 4.459 4.900 . 0 0 "[ . 1 . 2]" 1
388 1 21 LEU HB3 1 32 LEU MD2 . . 4.400 4.090 3.753 4.344 . 0 0 "[ . 1 . 2]" 1
389 1 21 LEU HB3 1 111 TYR QD . . 4.870 4.079 3.849 4.293 . 0 0 "[ . 1 . 2]" 1
390 1 21 LEU HB3 1 111 TYR QE . . 3.910 2.270 2.001 2.590 . 0 0 "[ . 1 . 2]" 1
391 1 21 LEU MD1 1 32 LEU MD2 . . 4.320 3.975 3.778 4.168 . 0 0 "[ . 1 . 2]" 1
392 1 21 LEU MD1 1 111 TYR QE . . 4.520 4.321 4.056 4.513 . 0 0 "[ . 1 . 2]" 1
393 1 21 LEU MD2 1 22 LEU H . . 4.900 4.689 4.479 4.899 . 0 0 "[ . 1 . 2]" 1
394 1 21 LEU MD2 1 111 TYR QD . . 4.440 3.861 3.501 4.152 . 0 0 "[ . 1 . 2]" 1
395 1 21 LEU MD2 1 111 TYR QE . . 3.420 2.227 1.952 2.471 . 0 0 "[ . 1 . 2]" 1
396 1 22 LEU H 1 22 LEU HB2 . . 3.750 2.269 2.198 2.344 . 0 0 "[ . 1 . 2]" 1
397 1 22 LEU H 1 22 LEU HB3 . . 4.140 3.539 3.504 3.566 . 0 0 "[ . 1 . 2]" 1
398 1 22 LEU H 1 22 LEU MD1 . . 4.190 3.607 3.491 3.760 . 0 0 "[ . 1 . 2]" 1
399 1 22 LEU H 1 22 LEU MD2 . . 4.130 3.807 3.644 3.937 . 0 0 "[ . 1 . 2]" 1
400 1 22 LEU H 1 22 LEU HG . . 3.630 2.711 2.511 2.866 . 0 0 "[ . 1 . 2]" 1
401 1 22 LEU H 1 23 GLN H . . 3.940 2.885 2.654 3.033 . 0 0 "[ . 1 . 2]" 1
402 1 22 LEU H 1 32 LEU MD2 . . 4.860 3.859 3.660 4.051 . 0 0 "[ . 1 . 2]" 1
403 1 22 LEU H 1 48 LEU MD1 . . 5.500 4.823 4.706 4.925 . 0 0 "[ . 1 . 2]" 1
404 1 22 LEU H 1 62 VAL MG2 . . 4.800 4.439 4.172 4.585 . 0 0 "[ . 1 . 2]" 1
405 1 22 LEU HA 1 22 LEU MD1 . . 4.420 3.847 3.816 3.875 . 0 0 "[ . 1 . 2]" 1
406 1 22 LEU HA 1 22 LEU MD2 . . 2.890 2.151 1.975 2.304 . 0 0 "[ . 1 . 2]" 1
407 1 22 LEU HA 1 22 LEU HG . . 3.540 2.815 2.759 2.884 . 0 0 "[ . 1 . 2]" 1
408 1 22 LEU HA 1 25 LYS H . . 3.750 3.540 3.366 3.749 . 0 0 "[ . 1 . 2]" 1
409 1 22 LEU HA 1 25 LYS HB2 . . 4.160 3.409 3.133 3.691 . 0 0 "[ . 1 . 2]" 1
410 1 22 LEU HA 1 25 LYS HB3 . . 3.990 3.231 2.939 3.427 . 0 0 "[ . 1 . 2]" 1
411 1 22 LEU HA 1 25 LYS HG2 . . 4.940 4.640 4.449 4.792 . 0 0 "[ . 1 . 2]" 1
412 1 22 LEU HA 1 26 GLY H . . 4.910 4.818 4.596 4.906 . 0 0 "[ . 1 . 2]" 1
413 1 22 LEU HA 1 30 THR HB . . 5.500 4.490 4.260 4.648 . 0 0 "[ . 1 . 2]" 1
414 1 22 LEU HA 1 30 THR MG . . 4.030 3.475 3.139 3.678 . 0 0 "[ . 1 . 2]" 1
415 1 22 LEU HA 1 32 LEU MD2 . . 4.730 3.850 3.661 4.080 . 0 0 "[ . 1 . 2]" 1
416 1 22 LEU HA 1 111 TYR QD . . 4.310 4.110 3.850 4.285 . 0 0 "[ . 1 . 2]" 1
417 1 22 LEU HA 1 111 TYR QE . . 4.140 4.005 3.682 4.142 0.002 7 0 "[ . 1 . 2]" 1
418 1 22 LEU HB2 1 22 LEU MD1 . . 3.210 2.263 2.122 2.390 . 0 0 "[ . 1 . 2]" 1
419 1 22 LEU HB2 1 22 LEU MD2 . . 3.460 3.181 3.170 3.189 . 0 0 "[ . 1 . 2]" 1
420 1 22 LEU HB2 1 23 GLN H . . 3.210 2.286 2.210 2.369 . 0 0 "[ . 1 . 2]" 1
421 1 22 LEU HB2 1 48 LEU HA . . 5.500 5.243 5.044 5.390 . 0 0 "[ . 1 . 2]" 1
422 1 22 LEU HB2 1 48 LEU HB2 . . 4.390 3.959 3.753 4.147 . 0 0 "[ . 1 . 2]" 1
423 1 22 LEU HB2 1 48 LEU MD1 . . 3.600 3.051 2.884 3.205 . 0 0 "[ . 1 . 2]" 1
424 1 22 LEU HB2 1 48 LEU MD2 . . 4.610 4.114 3.938 4.305 . 0 0 "[ . 1 . 2]" 1
425 1 22 LEU HB2 1 62 VAL MG1 . . 4.820 3.252 2.869 3.629 . 0 0 "[ . 1 . 2]" 1
426 1 22 LEU HB2 1 62 VAL MG2 . . 3.900 2.682 2.410 2.998 . 0 0 "[ . 1 . 2]" 1
427 1 22 LEU HB3 1 22 LEU MD1 . . 3.580 2.428 2.299 2.516 . 0 0 "[ . 1 . 2]" 1
428 1 22 LEU HB3 1 22 LEU MD2 . . 3.200 2.246 2.160 2.354 . 0 0 "[ . 1 . 2]" 1
429 1 22 LEU HB3 1 23 GLN H . . 3.920 2.887 2.715 3.129 . 0 0 "[ . 1 . 2]" 1
430 1 22 LEU HB3 1 48 LEU HB3 . . 4.300 3.927 3.715 4.130 . 0 0 "[ . 1 . 2]" 1
431 1 22 LEU HB3 1 48 LEU MD1 . . 3.180 2.120 1.990 2.255 . 0 0 "[ . 1 . 2]" 1
432 1 22 LEU HB3 1 62 VAL MG1 . . 4.430 3.673 3.320 4.064 . 0 0 "[ . 1 . 2]" 1
433 1 22 LEU HB3 1 62 VAL MG2 . . 3.520 3.054 2.641 3.332 . 0 0 "[ . 1 . 2]" 1
434 1 22 LEU MD1 1 23 GLN H . . 4.590 4.121 3.968 4.207 . 0 0 "[ . 1 . 2]" 1
435 1 22 LEU MD1 1 31 PHE HA . . 4.250 4.087 3.868 4.225 . 0 0 "[ . 1 . 2]" 1
436 1 22 LEU MD1 1 32 LEU H . . 4.860 4.381 4.060 4.630 . 0 0 "[ . 1 . 2]" 1
437 1 22 LEU MD1 1 32 LEU MD2 . . 3.490 2.160 1.927 2.599 . 0 0 "[ . 1 . 2]" 1
438 1 22 LEU MD1 1 32 LEU HG . . 3.780 3.101 2.754 3.472 . 0 0 "[ . 1 . 2]" 1
439 1 22 LEU MD1 1 46 SER H . . 4.930 4.509 4.176 4.855 . 0 0 "[ . 1 . 2]" 1
440 1 22 LEU MD1 1 46 SER HA . . 4.580 3.912 3.738 4.099 . 0 0 "[ . 1 . 2]" 1
441 1 22 LEU MD1 1 46 SER HB2 . . 3.700 2.495 1.953 3.477 . 0 0 "[ . 1 . 2]" 1
442 1 22 LEU MD1 1 46 SER HB3 . . 3.700 2.298 2.087 3.323 . 0 0 "[ . 1 . 2]" 1
443 1 22 LEU MD1 1 46 SER HG . . 4.890 3.972 1.808 4.441 . 0 0 "[ . 1 . 2]" 1
444 1 22 LEU MD1 1 47 VAL H . . 4.070 3.320 3.174 3.546 . 0 0 "[ . 1 . 2]" 1
445 1 22 LEU MD1 1 47 VAL HB . . 5.500 5.082 4.941 5.238 . 0 0 "[ . 1 . 2]" 1
446 1 22 LEU MD1 1 47 VAL MG1 . . 4.890 4.523 4.438 4.710 . 0 0 "[ . 1 . 2]" 1
447 1 22 LEU MD1 1 48 LEU H . . 3.860 3.510 3.218 3.760 . 0 0 "[ . 1 . 2]" 1
448 1 22 LEU MD1 1 48 LEU HA . . 4.740 3.609 3.394 3.867 . 0 0 "[ . 1 . 2]" 1
449 1 22 LEU MD1 1 48 LEU HB3 . . 5.370 4.462 4.278 4.667 . 0 0 "[ . 1 . 2]" 1
450 1 22 LEU MD1 1 62 VAL MG1 . . 3.100 1.889 1.720 2.119 . 0 0 "[ . 1 . 2]" 1
451 1 22 LEU MD1 1 62 VAL MG2 . . 3.110 2.676 2.382 3.084 . 0 0 "[ . 1 . 2]" 1
452 1 22 LEU MD1 1 63 THR H . . 4.790 4.171 3.820 4.569 . 0 0 "[ . 1 . 2]" 1
453 1 22 LEU MD1 1 64 HIS HA . . 5.500 5.467 5.340 5.506 0.006 14 0 "[ . 1 . 2]" 1
454 1 22 LEU MD1 1 64 HIS HE1 . . 4.880 3.786 3.460 4.059 . 0 0 "[ . 1 . 2]" 1
455 1 22 LEU MD2 1 23 GLN H . . 5.070 4.476 4.377 4.596 . 0 0 "[ . 1 . 2]" 1
456 1 22 LEU MD2 1 25 LYS HB2 . . 5.060 4.354 4.033 4.670 . 0 0 "[ . 1 . 2]" 1
457 1 22 LEU MD2 1 25 LYS HB3 . . 4.740 3.984 3.712 4.258 . 0 0 "[ . 1 . 2]" 1
458 1 22 LEU MD2 1 25 LYS QD . . 5.230 5.011 4.661 5.229 . 0 0 "[ . 1 . 2]" 1
459 1 22 LEU MD2 1 30 THR H . . 4.600 4.181 4.053 4.341 . 0 0 "[ . 1 . 2]" 1
460 1 22 LEU MD2 1 30 THR HA . . 4.580 4.312 4.199 4.405 . 0 0 "[ . 1 . 2]" 1
461 1 22 LEU MD2 1 30 THR HB . . 3.530 2.524 2.414 2.594 . 0 0 "[ . 1 . 2]" 1
462 1 22 LEU MD2 1 30 THR HG1 . . 4.510 4.478 4.408 4.518 0.008 14 0 "[ . 1 . 2]" 1
463 1 22 LEU MD2 1 30 THR MG . . 2.850 1.931 1.835 2.038 . 0 0 "[ . 1 . 2]" 1
464 1 22 LEU MD2 1 31 PHE H . . 4.680 4.514 4.365 4.591 . 0 0 "[ . 1 . 2]" 1
465 1 22 LEU MD2 1 31 PHE HA . . 3.870 3.506 3.269 3.690 . 0 0 "[ . 1 . 2]" 1
466 1 22 LEU MD2 1 32 LEU H . . 4.420 4.170 3.850 4.379 . 0 0 "[ . 1 . 2]" 1
467 1 22 LEU MD2 1 32 LEU QB . . 3.900 2.851 2.489 3.240 . 0 0 "[ . 1 . 2]" 1
468 1 22 LEU MD2 1 32 LEU MD1 . . 4.370 4.255 4.038 4.364 . 0 0 "[ . 1 . 2]" 1
469 1 22 LEU MD2 1 32 LEU MD2 . . 3.300 1.991 1.834 2.212 . 0 0 "[ . 1 . 2]" 1
470 1 22 LEU MD2 1 32 LEU HG . . 4.200 3.487 3.144 3.768 . 0 0 "[ . 1 . 2]" 1
471 1 22 LEU MD2 1 46 SER HB2 . . 5.490 4.079 3.704 5.296 . 0 0 "[ . 1 . 2]" 1
472 1 22 LEU MD2 1 46 SER QB . . 4.720 3.670 3.507 3.840 . 0 0 "[ . 1 . 2]" 1
473 1 22 LEU MD2 1 46 SER HB3 . . 5.490 4.323 3.750 5.203 . 0 0 "[ . 1 . 2]" 1
474 1 22 LEU MD2 1 47 VAL MG1 . . 5.210 4.314 4.125 4.613 . 0 0 "[ . 1 . 2]" 1
475 1 22 LEU MD2 1 48 LEU H . . 3.980 3.023 2.811 3.295 . 0 0 "[ . 1 . 2]" 1
476 1 22 LEU MD2 1 48 LEU HB2 . . 3.550 2.266 2.055 2.541 . 0 0 "[ . 1 . 2]" 1
477 1 22 LEU MD2 1 48 LEU HB3 . . 4.050 3.328 3.087 3.573 . 0 0 "[ . 1 . 2]" 1
478 1 22 LEU MD2 1 62 VAL MG2 . . 4.500 4.243 3.888 4.494 . 0 0 "[ . 1 . 2]" 1
479 1 22 LEU MD2 1 111 TYR HA . . 5.240 4.889 4.696 5.038 . 0 0 "[ . 1 . 2]" 1
480 1 22 LEU MD2 1 111 TYR HB2 . . 3.510 2.897 2.741 3.037 . 0 0 "[ . 1 . 2]" 1
481 1 22 LEU MD2 1 111 TYR HB3 . . 3.910 3.425 3.281 3.610 . 0 0 "[ . 1 . 2]" 1
482 1 22 LEU MD2 1 111 TYR QD . . 3.600 3.441 3.124 3.559 . 0 0 "[ . 1 . 2]" 1
483 1 22 LEU MD2 1 111 TYR QE . . 4.560 4.302 4.005 4.484 . 0 0 "[ . 1 . 2]" 1
484 1 22 LEU HG 1 23 GLN H . . 5.010 4.502 4.401 4.574 . 0 0 "[ . 1 . 2]" 1
485 1 22 LEU HG 1 32 LEU QB . . 4.900 4.170 3.804 4.538 . 0 0 "[ . 1 . 2]" 1
486 1 22 LEU HG 1 32 LEU MD2 . . 3.600 1.946 1.781 2.080 . 0 0 "[ . 1 . 2]" 1
487 1 22 LEU HG 1 46 SER QB . . 4.750 3.971 3.699 4.200 . 0 0 "[ . 1 . 2]" 1
488 1 22 LEU HG 1 48 LEU HB2 . . 5.220 4.641 4.472 4.745 . 0 0 "[ . 1 . 2]" 1
489 1 22 LEU HG 1 48 LEU MD1 . . 4.950 4.766 4.646 4.896 . 0 0 "[ . 1 . 2]" 1
490 1 22 LEU HG 1 62 VAL MG1 . . 4.610 4.148 3.886 4.514 . 0 0 "[ . 1 . 2]" 1
491 1 22 LEU HG 1 62 VAL MG2 . . 5.500 4.563 4.230 4.953 . 0 0 "[ . 1 . 2]" 1
492 1 22 LEU HG 1 111 TYR QD . . 5.040 4.635 4.331 4.857 . 0 0 "[ . 1 . 2]" 1
493 1 23 GLN H 1 23 GLN HB2 . . 3.180 2.423 2.343 2.481 . 0 0 "[ . 1 . 2]" 1
494 1 23 GLN H 1 23 GLN HB3 . . 3.760 3.587 3.567 3.603 . 0 0 "[ . 1 . 2]" 1
495 1 23 GLN H 1 23 GLN HE21 . . 5.320 5.162 5.078 5.296 . 0 0 "[ . 1 . 2]" 1
496 1 23 GLN H 1 23 GLN HG2 . . 3.750 3.559 3.425 3.658 . 0 0 "[ . 1 . 2]" 1
497 1 23 GLN H 1 23 GLN HG3 . . 3.360 2.352 2.237 2.509 . 0 0 "[ . 1 . 2]" 1
498 1 23 GLN H 1 24 ALA H . . 3.450 2.934 2.768 3.020 . 0 0 "[ . 1 . 2]" 1
499 1 23 GLN H 1 24 ALA HA . . 5.500 5.477 5.355 5.527 0.027 11 0 "[ . 1 . 2]" 1
500 1 23 GLN H 1 24 ALA MB . . 4.690 4.507 4.438 4.579 . 0 0 "[ . 1 . 2]" 1
501 1 23 GLN H 1 25 LYS H . . 4.740 4.294 4.176 4.436 . 0 0 "[ . 1 . 2]" 1
502 1 23 GLN H 1 48 LEU MD1 . . 3.570 3.026 2.922 3.191 . 0 0 "[ . 1 . 2]" 1
503 1 23 GLN H 1 62 VAL MG2 . . 3.660 3.165 2.967 3.404 . 0 0 "[ . 1 . 2]" 1
504 1 23 GLN HA 1 23 GLN HE21 . . 4.980 4.761 4.698 4.816 . 0 0 "[ . 1 . 2]" 1
505 1 23 GLN HA 1 23 GLN HG2 . . 3.350 2.477 2.369 2.587 . 0 0 "[ . 1 . 2]" 1
506 1 23 GLN HA 1 23 GLN HG3 . . 3.400 2.902 2.823 3.003 . 0 0 "[ . 1 . 2]" 1
507 1 23 GLN HA 1 24 ALA HA . . 5.500 4.847 4.786 4.904 . 0 0 "[ . 1 . 2]" 1
508 1 23 GLN HA 1 25 LYS H . . 4.710 4.254 4.043 4.418 . 0 0 "[ . 1 . 2]" 1
509 1 23 GLN HA 1 26 GLY H . . 4.000 3.427 3.278 3.605 . 0 0 "[ . 1 . 2]" 1
510 1 23 GLN HA 1 26 GLY HA2 . . 4.280 4.085 3.890 4.251 . 0 0 "[ . 1 . 2]" 1
511 1 23 GLN HA 1 48 LEU MD1 . . 3.190 2.327 2.157 2.496 . 0 0 "[ . 1 . 2]" 1
512 1 23 GLN HA 1 48 LEU MD2 . . 3.490 2.184 2.045 2.366 . 0 0 "[ . 1 . 2]" 1
513 1 23 GLN HA 1 59 PRO HB2 . . 4.600 3.849 3.583 4.076 . 0 0 "[ . 1 . 2]" 1
514 1 23 GLN HA 1 60 LEU H . . 4.700 3.945 3.585 4.231 . 0 0 "[ . 1 . 2]" 1
515 1 23 GLN HA 1 60 LEU MD1 . . 4.890 4.684 4.442 4.835 . 0 0 "[ . 1 . 2]" 1
516 1 23 GLN HA 1 62 VAL MG2 . . 4.290 3.930 3.723 4.092 . 0 0 "[ . 1 . 2]" 1
517 1 23 GLN HB2 1 23 GLN HE21 . . 4.780 4.453 4.413 4.486 . 0 0 "[ . 1 . 2]" 1
518 1 23 GLN HB2 1 24 ALA H . . 3.740 2.563 2.277 2.810 . 0 0 "[ . 1 . 2]" 1
519 1 23 GLN HB2 1 24 ALA HA . . 4.920 4.427 4.289 4.496 . 0 0 "[ . 1 . 2]" 1
520 1 23 GLN HB2 1 24 ALA MB . . 4.150 4.087 3.982 4.152 0.002 16 0 "[ . 1 . 2]" 1
521 1 23 GLN HB2 1 48 LEU MD1 . . 4.320 4.178 4.086 4.297 . 0 0 "[ . 1 . 2]" 1
522 1 23 GLN HB2 1 59 PRO HB2 . . 4.390 3.651 3.369 4.056 . 0 0 "[ . 1 . 2]" 1
523 1 23 GLN HB3 1 23 GLN HE21 . . 4.610 4.153 4.024 4.267 . 0 0 "[ . 1 . 2]" 1
524 1 23 GLN HB3 1 23 GLN HE22 . . 4.690 4.530 4.459 4.593 . 0 0 "[ . 1 . 2]" 1
525 1 23 GLN HB3 1 24 ALA H . . 3.930 3.358 3.031 3.614 . 0 0 "[ . 1 . 2]" 1
526 1 23 GLN HB3 1 24 ALA HA . . 4.340 4.185 4.020 4.293 . 0 0 "[ . 1 . 2]" 1
527 1 23 GLN HB3 1 26 GLY H . . 5.430 5.110 4.905 5.361 . 0 0 "[ . 1 . 2]" 1
528 1 23 GLN HB3 1 48 LEU MD1 . . 4.650 4.037 3.916 4.190 . 0 0 "[ . 1 . 2]" 1
529 1 23 GLN HB3 1 59 PRO HB2 . . 3.610 2.314 2.006 2.748 . 0 0 "[ . 1 . 2]" 1
530 1 23 GLN HB3 1 62 VAL MG2 . . 5.030 4.632 4.488 4.793 . 0 0 "[ . 1 . 2]" 1
531 1 23 GLN HE21 1 48 LEU MD1 . . 4.370 3.740 3.643 3.851 . 0 0 "[ . 1 . 2]" 1
532 1 23 GLN HE21 1 59 PRO HB2 . . 3.910 2.901 2.621 3.074 . 0 0 "[ . 1 . 2]" 1
533 1 23 GLN HE21 1 59 PRO HB3 . . 4.800 4.629 4.365 4.803 0.003 1 0 "[ . 1 . 2]" 1
534 1 23 GLN HE21 1 59 PRO QG . . 4.860 3.405 3.152 3.721 . 0 0 "[ . 1 . 2]" 1
535 1 23 GLN HE21 1 61 ARG HA . . 4.500 3.283 3.146 3.426 . 0 0 "[ . 1 . 2]" 1
536 1 23 GLN HE21 1 62 VAL H . . 4.510 3.911 3.729 4.099 . 0 0 "[ . 1 . 2]" 1
537 1 23 GLN HE21 1 62 VAL MG2 . . 3.630 2.750 2.435 3.101 . 0 0 "[ . 1 . 2]" 1
538 1 23 GLN HE22 1 23 GLN HG2 . . 3.910 3.511 3.479 3.554 . 0 0 "[ . 1 . 2]" 1
539 1 23 GLN HE22 1 48 LEU MD1 . . 5.500 5.077 5.004 5.184 . 0 0 "[ . 1 . 2]" 1
540 1 23 GLN HE22 1 53 LYS QD . . 4.030 2.768 2.467 3.223 . 0 0 "[ . 1 . 2]" 1
541 1 23 GLN HE22 1 53 LYS QE . . 4.800 4.368 3.800 4.778 . 0 0 "[ . 1 . 2]" 1
542 1 23 GLN HE22 1 59 PRO HB2 . . 4.190 3.259 3.078 3.402 . 0 0 "[ . 1 . 2]" 1
543 1 23 GLN HE22 1 59 PRO HB3 . . 4.810 4.666 4.425 4.788 . 0 0 "[ . 1 . 2]" 1
544 1 23 GLN HE22 1 61 ARG HA . . 4.760 4.600 4.429 4.762 0.002 14 0 "[ . 1 . 2]" 1
545 1 23 GLN HE22 1 62 VAL MG2 . . 3.980 3.726 3.438 3.986 0.006 4 0 "[ . 1 . 2]" 1
546 1 23 GLN HG2 1 48 LEU MD1 . . 3.560 2.481 2.337 2.668 . 0 0 "[ . 1 . 2]" 1
547 1 23 GLN HG2 1 59 PRO HB2 . . 4.210 2.221 2.080 2.457 . 0 0 "[ . 1 . 2]" 1
548 1 23 GLN HG2 1 59 PRO HB3 . . 4.280 3.662 3.571 3.805 . 0 0 "[ . 1 . 2]" 1
549 1 23 GLN HG2 1 60 LEU H . . 4.060 3.897 3.397 4.012 . 0 0 "[ . 1 . 2]" 1
550 1 23 GLN HG2 1 62 VAL MG2 . . 3.650 3.004 2.852 3.232 . 0 0 "[ . 1 . 2]" 1
551 1 23 GLN HG3 1 24 ALA H . . 4.870 4.488 4.328 4.582 . 0 0 "[ . 1 . 2]" 1
552 1 23 GLN HG3 1 48 LEU MD1 . . 3.650 2.735 2.601 2.953 . 0 0 "[ . 1 . 2]" 1
553 1 23 GLN HG3 1 48 LEU MD2 . . 4.900 4.205 4.070 4.437 . 0 0 "[ . 1 . 2]" 1
554 1 23 GLN HG3 1 59 PRO HB2 . . 4.500 3.608 3.465 3.785 . 0 0 "[ . 1 . 2]" 1
555 1 23 GLN HG3 1 59 PRO HB3 . . 5.060 4.886 4.768 5.011 . 0 0 "[ . 1 . 2]" 1
556 1 23 GLN HG3 1 62 VAL MG2 . . 3.410 2.236 2.067 2.400 . 0 0 "[ . 1 . 2]" 1
557 1 24 ALA H 1 24 ALA MB . . 2.760 2.182 2.024 2.253 . 0 0 "[ . 1 . 2]" 1
558 1 24 ALA H 1 25 LYS H . . 3.410 2.793 2.595 2.953 . 0 0 "[ . 1 . 2]" 1
559 1 24 ALA H 1 48 LEU MD1 . . 5.340 5.001 4.850 5.130 . 0 0 "[ . 1 . 2]" 1
560 1 24 ALA HA 1 26 GLY H . . 4.570 4.282 4.091 4.457 . 0 0 "[ . 1 . 2]" 1
561 1 24 ALA MB 1 25 LYS H . . 3.070 2.609 2.470 2.768 . 0 0 "[ . 1 . 2]" 1
562 1 24 ALA MB 1 25 LYS HA . . 4.180 3.790 3.692 3.866 . 0 0 "[ . 1 . 2]" 1
563 1 24 ALA MB 1 25 LYS HB2 . . 4.320 4.139 4.038 4.255 . 0 0 "[ . 1 . 2]" 1
564 1 24 ALA MB 1 111 TYR QE . . 5.120 4.563 4.237 4.812 . 0 0 "[ . 1 . 2]" 1
565 1 25 LYS H 1 25 LYS HB2 . . 3.020 2.486 2.399 2.611 . 0 0 "[ . 1 . 2]" 1
566 1 25 LYS H 1 25 LYS HB3 . . 3.030 2.560 2.434 2.649 . 0 0 "[ . 1 . 2]" 1
567 1 25 LYS H 1 25 LYS QD . . 4.430 4.161 3.999 4.435 0.005 15 0 "[ . 1 . 2]" 1
568 1 25 LYS H 1 25 LYS HG2 . . 4.830 4.600 4.562 4.619 . 0 0 "[ . 1 . 2]" 1
569 1 25 LYS H 1 25 LYS HG3 . . 4.730 4.437 4.382 4.484 . 0 0 "[ . 1 . 2]" 1
570 1 25 LYS H 1 26 GLY HA2 . . 5.140 4.969 4.870 5.046 . 0 0 "[ . 1 . 2]" 1
571 1 25 LYS H 1 26 GLY HA3 . . 5.500 5.166 5.103 5.215 . 0 0 "[ . 1 . 2]" 1
572 1 25 LYS H 1 27 GLU H . . 4.700 4.540 4.366 4.661 . 0 0 "[ . 1 . 2]" 1
573 1 25 LYS H 1 48 LEU MD2 . . 4.190 3.986 3.792 4.166 . 0 0 "[ . 1 . 2]" 1
574 1 25 LYS H 1 111 TYR QE . . 4.350 4.021 3.831 4.213 . 0 0 "[ . 1 . 2]" 1
575 1 25 LYS HA 1 25 LYS QD . . 3.090 2.451 2.026 3.028 . 0 0 "[ . 1 . 2]" 1
576 1 25 LYS HA 1 25 LYS QE . . 4.290 3.311 1.972 4.268 . 0 0 "[ . 1 . 2]" 1
577 1 25 LYS HA 1 25 LYS HG2 . . 3.970 3.799 3.741 3.864 . 0 0 "[ . 1 . 2]" 1
578 1 25 LYS HA 1 25 LYS HG3 . . 3.440 2.832 2.711 2.932 . 0 0 "[ . 1 . 2]" 1
579 1 25 LYS HA 1 26 GLY HA3 . . 4.740 4.633 4.618 4.649 . 0 0 "[ . 1 . 2]" 1
580 1 25 LYS HA 1 111 TYR QE . . 4.710 3.783 3.455 3.993 . 0 0 "[ . 1 . 2]" 1
581 1 25 LYS HB2 1 25 LYS QE . . 4.500 3.809 3.189 4.095 . 0 0 "[ . 1 . 2]" 1
582 1 25 LYS HB2 1 26 GLY H . . 4.030 3.892 3.762 4.027 . 0 0 "[ . 1 . 2]" 1
583 1 25 LYS HB2 1 48 LEU MD2 . . 5.500 4.440 4.165 4.628 . 0 0 "[ . 1 . 2]" 1
584 1 25 LYS HB2 1 111 TYR QD . . 4.380 3.212 2.846 3.531 . 0 0 "[ . 1 . 2]" 1
585 1 25 LYS HB2 1 111 TYR QE . . 3.460 2.028 1.992 2.104 . 0 0 "[ . 1 . 2]" 1
586 1 25 LYS HB3 1 26 GLY H . . 3.430 2.650 2.488 2.791 . 0 0 "[ . 1 . 2]" 1
587 1 25 LYS HB3 1 26 GLY HA2 . . 4.950 4.611 4.517 4.716 . 0 0 "[ . 1 . 2]" 1
588 1 25 LYS HB3 1 26 GLY HA3 . . 5.450 4.897 4.768 5.041 . 0 0 "[ . 1 . 2]" 1
589 1 25 LYS HB3 1 27 GLU H . . 4.260 2.657 2.452 2.995 . 0 0 "[ . 1 . 2]" 1
590 1 25 LYS HB3 1 30 THR HB . . 4.870 4.413 4.223 4.704 . 0 0 "[ . 1 . 2]" 1
591 1 25 LYS HB3 1 30 THR MG . . 4.330 3.576 3.345 3.859 . 0 0 "[ . 1 . 2]" 1
592 1 25 LYS HB3 1 48 LEU MD2 . . 4.540 3.055 2.850 3.192 . 0 0 "[ . 1 . 2]" 1
593 1 25 LYS HB3 1 111 TYR QD . . 4.550 3.977 3.833 4.074 . 0 0 "[ . 1 . 2]" 1
594 1 25 LYS HB3 1 111 TYR QE . . 3.900 3.649 3.476 3.759 . 0 0 "[ . 1 . 2]" 1
595 1 25 LYS QD 1 26 GLY H . . 5.500 5.010 4.866 5.225 . 0 0 "[ . 1 . 2]" 1
596 1 25 LYS QD 1 27 GLU H . . 4.930 4.609 4.207 4.864 . 0 0 "[ . 1 . 2]" 1
597 1 25 LYS QD 1 30 THR MG . . 4.310 3.606 3.222 3.997 . 0 0 "[ . 1 . 2]" 1
598 1 25 LYS QD 1 111 TYR HA . . 4.690 4.259 3.874 4.645 . 0 0 "[ . 1 . 2]" 1
599 1 25 LYS QD 1 111 TYR QD . . 4.000 2.420 2.001 2.780 . 0 0 "[ . 1 . 2]" 1
600 1 25 LYS QD 1 111 TYR QE . . 3.670 2.047 1.872 2.230 . 0 0 "[ . 1 . 2]" 1
601 1 25 LYS QE 1 25 LYS HG2 . . 3.660 2.805 2.518 3.381 . 0 0 "[ . 1 . 2]" 1
602 1 25 LYS QE 1 25 LYS HG3 . . 3.620 2.285 2.120 2.553 . 0 0 "[ . 1 . 2]" 1
603 1 25 LYS QE 1 27 GLU HB2 . . 4.560 3.418 2.982 4.055 . 0 0 "[ . 1 . 2]" 1
604 1 25 LYS QE 1 27 GLU QG . . 3.980 2.448 2.039 3.338 . 0 0 "[ . 1 . 2]" 1
605 1 25 LYS QE 1 30 THR MG . . 4.860 4.372 4.023 4.848 . 0 0 "[ . 1 . 2]" 1
606 1 25 LYS QE 1 111 TYR QD . . 5.300 4.094 3.695 4.699 . 0 0 "[ . 1 . 2]" 1
607 1 25 LYS QE 1 111 TYR QE . . 4.320 4.049 3.631 4.269 . 0 0 "[ . 1 . 2]" 1
608 1 25 LYS HE2 1 27 GLU QG . . 4.540 2.950 2.196 4.339 . 0 0 "[ . 1 . 2]" 1
609 1 25 LYS HE2 1 111 TYR QE . . 4.990 4.590 4.220 4.990 0.000 18 0 "[ . 1 . 2]" 1
610 1 25 LYS HE3 1 27 GLU QG . . 4.540 2.953 2.104 4.273 . 0 0 "[ . 1 . 2]" 1
611 1 25 LYS HE3 1 111 TYR QE . . 4.990 4.567 3.930 4.929 . 0 0 "[ . 1 . 2]" 1
612 1 25 LYS HG2 1 26 GLY H . . 4.990 4.561 4.354 4.733 . 0 0 "[ . 1 . 2]" 1
613 1 25 LYS HG2 1 27 GLU H . . 4.490 3.230 2.887 3.543 . 0 0 "[ . 1 . 2]" 1
614 1 25 LYS HG2 1 30 THR HB . . 4.760 4.237 3.888 4.488 . 0 0 "[ . 1 . 2]" 1
615 1 25 LYS HG2 1 111 TYR QD . . 4.070 2.921 2.713 3.138 . 0 0 "[ . 1 . 2]" 1
616 1 25 LYS HG2 1 111 TYR QE . . 3.870 3.570 3.295 3.873 0.003 14 0 "[ . 1 . 2]" 1
617 1 25 LYS HG3 1 26 GLY H . . 4.110 3.916 3.671 4.097 . 0 0 "[ . 1 . 2]" 1
618 1 25 LYS HG3 1 27 GLU H . . 3.720 2.712 2.101 3.044 . 0 0 "[ . 1 . 2]" 1
619 1 25 LYS HG3 1 27 GLU HB2 . . 3.320 2.216 1.986 2.444 . 0 0 "[ . 1 . 2]" 1
620 1 25 LYS HG3 1 27 GLU QG . . 4.010 2.343 2.014 3.115 . 0 0 "[ . 1 . 2]" 1
621 1 25 LYS HG3 1 30 THR HG1 . . 5.410 5.040 4.634 5.285 . 0 0 "[ . 1 . 2]" 1
622 1 25 LYS HG3 1 48 LEU MD2 . . 4.640 4.536 4.255 4.646 0.006 2 0 "[ . 1 . 2]" 1
623 1 25 LYS HG3 1 111 TYR QD . . 5.340 4.442 4.316 4.640 . 0 0 "[ . 1 . 2]" 1
624 1 25 LYS HG3 1 111 TYR QE . . 4.640 4.323 4.094 4.525 . 0 0 "[ . 1 . 2]" 1
625 1 26 GLY H 1 26 GLY HA2 . . 2.950 2.301 2.295 2.311 . 0 0 "[ . 1 . 2]" 1
626 1 26 GLY H 1 27 GLU H . . 3.490 2.621 2.510 2.701 . 0 0 "[ . 1 . 2]" 1
627 1 26 GLY H 1 27 GLU HB2 . . 5.400 4.669 4.555 4.732 . 0 0 "[ . 1 . 2]" 1
628 1 26 GLY H 1 48 LEU MD1 . . 4.800 4.547 4.424 4.660 . 0 0 "[ . 1 . 2]" 1
629 1 26 GLY H 1 48 LEU MD2 . . 3.430 2.713 2.521 2.854 . 0 0 "[ . 1 . 2]" 1
630 1 26 GLY H 1 60 LEU MD1 . . 4.730 4.377 4.076 4.656 . 0 0 "[ . 1 . 2]" 1
631 1 26 GLY HA2 1 48 LEU MD1 . . 4.920 4.730 4.531 4.875 . 0 0 "[ . 1 . 2]" 1
632 1 26 GLY HA2 1 48 LEU MD2 . . 3.420 2.863 2.636 2.952 . 0 0 "[ . 1 . 2]" 1
633 1 26 GLY HA2 1 60 LEU MD1 . . 3.540 3.039 2.593 3.300 . 0 0 "[ . 1 . 2]" 1
634 1 26 GLY HA3 1 27 GLU HB2 . . 5.500 5.330 5.271 5.400 . 0 0 "[ . 1 . 2]" 1
635 1 26 GLY HA3 1 27 GLU QG . . 5.500 4.609 4.343 5.480 . 0 0 "[ . 1 . 2]" 1
636 1 26 GLY HA3 1 48 LEU MD2 . . 4.230 4.146 3.978 4.228 . 0 0 "[ . 1 . 2]" 1
637 1 26 GLY HA3 1 60 LEU MD1 . . 4.380 4.236 3.813 4.379 . 0 0 "[ . 1 . 2]" 1
638 1 27 GLU H 1 27 GLU HB2 . . 3.130 2.331 2.239 2.463 . 0 0 "[ . 1 . 2]" 1
639 1 27 GLU H 1 27 GLU HB3 . . 3.740 3.556 3.513 3.622 . 0 0 "[ . 1 . 2]" 1
640 1 27 GLU H 1 27 GLU QG . . 3.900 3.263 2.971 3.843 . 0 0 "[ . 1 . 2]" 1
641 1 27 GLU H 1 30 THR HG1 . . 4.230 4.044 3.896 4.177 . 0 0 "[ . 1 . 2]" 1
642 1 27 GLU H 1 30 THR MG . . 4.800 4.475 4.357 4.579 . 0 0 "[ . 1 . 2]" 1
643 1 27 GLU H 1 48 LEU MD2 . . 3.330 2.586 2.251 2.926 . 0 0 "[ . 1 . 2]" 1
644 1 27 GLU H 1 60 LEU MD1 . . 4.660 3.645 3.192 3.969 . 0 0 "[ . 1 . 2]" 1
645 1 27 GLU HB2 1 28 PRO HD2 . . 4.740 4.433 4.386 4.477 . 0 0 "[ . 1 . 2]" 1
646 1 27 GLU HB2 1 30 THR H . . 5.500 5.343 5.171 5.500 0.000 20 0 "[ . 1 . 2]" 1
647 1 27 GLU HB2 1 30 THR HB . . 5.010 4.075 3.957 4.268 . 0 0 "[ . 1 . 2]" 1
648 1 27 GLU HB2 1 30 THR HG1 . . 3.230 2.958 2.845 3.101 . 0 0 "[ . 1 . 2]" 1
649 1 27 GLU HB2 1 48 LEU MD2 . . 4.410 3.941 3.757 4.108 . 0 0 "[ . 1 . 2]" 1
650 1 27 GLU HB2 1 109 GLN HE21 . . 4.460 3.834 3.590 4.409 . 0 0 "[ . 1 . 2]" 1
651 1 27 GLU HB3 1 28 PRO HD2 . . 4.290 3.287 3.187 3.381 . 0 0 "[ . 1 . 2]" 1
652 1 27 GLU HB3 1 28 PRO HD3 . . 4.710 4.442 4.377 4.503 . 0 0 "[ . 1 . 2]" 1
653 1 27 GLU HB3 1 30 THR H . . 4.940 4.830 4.710 4.941 0.001 19 0 "[ . 1 . 2]" 1
654 1 27 GLU HB3 1 30 THR HB . . 4.500 4.385 4.159 4.494 . 0 0 "[ . 1 . 2]" 1
655 1 27 GLU HB3 1 30 THR HG1 . . 3.200 2.403 2.241 2.508 . 0 0 "[ . 1 . 2]" 1
656 1 27 GLU HB3 1 48 LEU MD2 . . 5.010 4.603 4.430 4.757 . 0 0 "[ . 1 . 2]" 1
657 1 27 GLU HB3 1 109 GLN HE21 . . 4.790 2.414 2.197 2.794 . 0 0 "[ . 1 . 2]" 1
658 1 27 GLU QG 1 28 PRO HD2 . . 3.850 3.408 2.991 3.791 . 0 0 "[ . 1 . 2]" 1
659 1 27 GLU QG 1 28 PRO HD3 . . 4.510 4.267 4.016 4.495 . 0 0 "[ . 1 . 2]" 1
660 1 27 GLU QG 1 30 THR HG1 . . 4.500 4.385 4.097 4.496 . 0 0 "[ . 1 . 2]" 1
661 1 27 GLU QG 1 30 THR MG . . 4.750 4.630 4.321 4.752 0.002 5 0 "[ . 1 . 2]" 1
662 1 27 GLU QG 1 109 GLN HE21 . . 4.680 4.099 3.555 4.669 . 0 0 "[ . 1 . 2]" 1
663 1 27 GLU QG 1 109 GLN HE22 . . 5.010 4.766 4.383 5.009 . 0 0 "[ . 1 . 2]" 1
664 1 28 PRO HA 1 29 TRP H . . 2.890 2.198 2.192 2.213 . 0 0 "[ . 1 . 2]" 1
665 1 28 PRO HA 1 29 TRP HA . . 4.430 4.413 4.407 4.421 . 0 0 "[ . 1 . 2]" 1
666 1 28 PRO HA 1 29 TRP HE3 . . 5.260 5.022 4.928 5.153 . 0 0 "[ . 1 . 2]" 1
667 1 28 PRO HA 1 30 THR H . . 3.820 3.531 3.435 3.635 . 0 0 "[ . 1 . 2]" 1
668 1 28 PRO HA 1 30 THR HG1 . . 4.850 3.925 3.861 3.978 . 0 0 "[ . 1 . 2]" 1
669 1 28 PRO HA 1 47 VAL MG1 . . 5.280 5.219 5.130 5.283 0.003 12 0 "[ . 1 . 2]" 1
670 1 28 PRO HA 1 48 LEU H . . 5.370 5.330 5.253 5.381 0.011 14 0 "[ . 1 . 2]" 1
671 1 28 PRO HA 1 48 LEU HA . . 5.500 5.440 5.339 5.503 0.003 5 0 "[ . 1 . 2]" 1
672 1 28 PRO HA 1 48 LEU HB2 . . 5.490 5.210 5.086 5.313 . 0 0 "[ . 1 . 2]" 1
673 1 28 PRO HA 1 48 LEU HB3 . . 4.140 3.500 3.361 3.621 . 0 0 "[ . 1 . 2]" 1
674 1 28 PRO HA 1 48 LEU MD1 . . 5.320 5.129 5.062 5.197 . 0 0 "[ . 1 . 2]" 1
675 1 28 PRO HA 1 48 LEU MD2 . . 3.610 3.559 3.469 3.610 . 17 0 "[ . 1 . 2]" 1
676 1 28 PRO HA 1 48 LEU HG . . 3.800 3.716 3.638 3.808 0.008 12 0 "[ . 1 . 2]" 1
677 1 28 PRO HA 1 50 ASP HA . . 4.280 3.074 2.889 3.278 . 0 0 "[ . 1 . 2]" 1
678 1 28 PRO HA 1 60 LEU MD2 . . 4.820 4.103 3.896 4.325 . 0 0 "[ . 1 . 2]" 1
679 1 28 PRO HB2 1 29 TRP H . . 4.070 3.242 3.177 3.271 . 0 0 "[ . 1 . 2]" 1
680 1 28 PRO HB2 1 29 TRP HB2 . . 4.850 4.235 4.202 4.280 . 0 0 "[ . 1 . 2]" 1
681 1 28 PRO HB2 1 29 TRP HD1 . . 3.960 3.497 3.413 3.579 . 0 0 "[ . 1 . 2]" 1
682 1 28 PRO HB2 1 29 TRP HE1 . . 4.230 3.425 3.369 3.471 . 0 0 "[ . 1 . 2]" 1
683 1 28 PRO HB2 1 50 ASP HA . . 4.200 3.250 3.134 3.411 . 0 0 "[ . 1 . 2]" 1
684 1 28 PRO HB2 1 50 ASP HB2 . . 4.490 2.239 2.005 2.827 . 0 0 "[ . 1 . 2]" 1
685 1 28 PRO HB2 1 50 ASP HB3 . . 4.010 3.549 2.492 3.907 . 0 0 "[ . 1 . 2]" 1
686 1 28 PRO HB2 1 60 LEU MD2 . . 5.230 4.927 4.811 5.114 . 0 0 "[ . 1 . 2]" 1
687 1 28 PRO HB3 1 29 TRP H . . 3.830 3.812 3.771 3.831 0.001 18 0 "[ . 1 . 2]" 1
688 1 28 PRO HB3 1 29 TRP HE1 . . 5.220 4.918 4.849 4.959 . 0 0 "[ . 1 . 2]" 1
689 1 28 PRO HB3 1 29 TRP HZ2 . . 5.500 5.388 5.260 5.501 0.001 13 0 "[ . 1 . 2]" 1
690 1 28 PRO HB3 1 48 LEU MD2 . . 5.070 5.032 4.938 5.089 0.019 14 0 "[ . 1 . 2]" 1
691 1 28 PRO HB3 1 50 ASP H . . 4.780 4.218 4.020 4.345 . 0 0 "[ . 1 . 2]" 1
692 1 28 PRO HB3 1 50 ASP HA . . 3.540 2.093 1.997 2.262 . 0 0 "[ . 1 . 2]" 1
693 1 28 PRO HB3 1 50 ASP HB2 . . 3.870 2.358 2.130 2.585 . 0 0 "[ . 1 . 2]" 1
694 1 28 PRO HB3 1 50 ASP HB3 . . 3.990 3.727 2.871 3.991 0.001 12 0 "[ . 1 . 2]" 1
695 1 28 PRO HD2 1 30 THR HG1 . . 5.150 4.524 4.436 4.628 . 0 0 "[ . 1 . 2]" 1
696 1 28 PRO HD2 1 60 LEU MD1 . . 4.320 4.029 3.869 4.225 . 0 0 "[ . 1 . 2]" 1
697 1 28 PRO HD2 1 109 GLN HE21 . . 5.340 4.526 3.901 5.012 . 0 0 "[ . 1 . 2]" 1
698 1 28 PRO HD2 1 109 GLN HE22 . . 5.270 4.017 3.789 4.365 . 0 0 "[ . 1 . 2]" 1
699 1 28 PRO HD3 1 48 LEU MD2 . . 4.670 4.588 4.486 4.675 0.005 14 0 "[ . 1 . 2]" 1
700 1 28 PRO HD3 1 50 ASP HA . . 4.950 4.702 4.533 4.846 . 0 0 "[ . 1 . 2]" 1
701 1 28 PRO HD3 1 60 LEU MD1 . . 3.630 2.775 2.570 2.960 . 0 0 "[ . 1 . 2]" 1
702 1 28 PRO HD3 1 60 LEU MD2 . . 4.920 4.573 4.296 4.821 . 0 0 "[ . 1 . 2]" 1
703 1 28 PRO HG2 1 29 TRP H . . 4.980 4.828 4.792 4.843 . 0 0 "[ . 1 . 2]" 1
704 1 28 PRO HG2 1 29 TRP HE1 . . 5.320 4.259 4.105 4.411 . 0 0 "[ . 1 . 2]" 1
705 1 28 PRO HG2 1 50 ASP HB2 . . 4.390 4.206 3.964 4.392 0.002 7 0 "[ . 1 . 2]" 1
706 1 28 PRO HG3 1 50 ASP HB2 . . 4.290 3.722 3.436 4.061 . 0 0 "[ . 1 . 2]" 1
707 1 29 TRP H 1 29 TRP HB3 . . 4.190 4.020 4.000 4.045 . 0 0 "[ . 1 . 2]" 1
708 1 29 TRP H 1 29 TRP HE3 . . 3.720 2.994 2.902 3.109 . 0 0 "[ . 1 . 2]" 1
709 1 29 TRP H 1 30 THR H . . 3.230 2.545 2.475 2.594 . 0 0 "[ . 1 . 2]" 1
710 1 29 TRP H 1 30 THR HB . . 5.100 4.791 4.714 4.843 . 0 0 "[ . 1 . 2]" 1
711 1 29 TRP H 1 30 THR HG1 . . 4.220 4.167 4.093 4.221 0.001 17 0 "[ . 1 . 2]" 1
712 1 29 TRP H 1 47 VAL MG1 . . 3.830 3.626 3.538 3.713 . 0 0 "[ . 1 . 2]" 1
713 1 29 TRP H 1 48 LEU H . . 4.330 4.242 4.113 4.326 . 0 0 "[ . 1 . 2]" 1
714 1 29 TRP H 1 48 LEU HB2 . . 5.330 5.213 5.113 5.318 . 0 0 "[ . 1 . 2]" 1
715 1 29 TRP H 1 48 LEU HB3 . . 3.710 3.607 3.508 3.711 0.001 7 0 "[ . 1 . 2]" 1
716 1 29 TRP H 1 48 LEU MD2 . . 4.870 4.720 4.637 4.798 . 0 0 "[ . 1 . 2]" 1
717 1 29 TRP H 1 49 SER HA . . 4.370 3.243 3.099 3.362 . 0 0 "[ . 1 . 2]" 1
718 1 29 TRP H 1 50 ASP HA . . 4.790 4.140 3.987 4.291 . 0 0 "[ . 1 . 2]" 1
719 1 29 TRP HA 1 29 TRP HD1 . . 5.000 4.833 4.819 4.845 . 0 0 "[ . 1 . 2]" 1
720 1 29 TRP HA 1 29 TRP HE3 . . 3.200 2.020 1.986 2.066 . 0 0 "[ . 1 . 2]" 1
721 1 29 TRP HA 1 29 TRP HZ3 . . 4.460 4.412 4.387 4.448 . 0 0 "[ . 1 . 2]" 1
722 1 29 TRP HA 1 30 THR H . . 3.570 2.901 2.841 2.968 . 0 0 "[ . 1 . 2]" 1
723 1 29 TRP HA 1 48 LEU HB3 . . 5.200 4.895 4.807 4.956 . 0 0 "[ . 1 . 2]" 1
724 1 29 TRP HA 1 49 SER HA . . 4.730 3.954 3.785 4.064 . 0 0 "[ . 1 . 2]" 1
725 1 29 TRP HA 1 106 TYR H . . 4.670 3.672 3.378 3.832 . 0 0 "[ . 1 . 2]" 1
726 1 29 TRP HA 1 108 ARG H . . 4.370 3.893 3.664 4.059 . 0 0 "[ . 1 . 2]" 1
727 1 29 TRP HB2 1 29 TRP HD1 . . 3.400 2.566 2.559 2.573 . 0 0 "[ . 1 . 2]" 1
728 1 29 TRP HB2 1 29 TRP HE1 . . 4.830 4.757 4.753 4.759 . 0 0 "[ . 1 . 2]" 1
729 1 29 TRP HB2 1 30 THR HG1 . . 5.500 4.647 4.573 4.726 . 0 0 "[ . 1 . 2]" 1
730 1 29 TRP HB2 1 106 TYR HB2 . . 4.660 4.364 3.948 4.607 . 0 0 "[ . 1 . 2]" 1
731 1 29 TRP HB2 1 106 TYR HB3 . . 5.080 4.935 4.574 5.073 . 0 0 "[ . 1 . 2]" 1
732 1 29 TRP HB2 1 107 LEU HA . . 4.840 4.286 3.967 4.712 . 0 0 "[ . 1 . 2]" 1
733 1 29 TRP HB2 1 108 ARG H . . 3.980 2.719 2.508 2.899 . 0 0 "[ . 1 . 2]" 1
734 1 29 TRP HB2 1 108 ARG QB . . 3.480 2.492 2.173 2.863 . 0 0 "[ . 1 . 2]" 1
735 1 29 TRP HB2 1 108 ARG HD2 . . 5.000 4.213 3.415 4.809 . 0 0 "[ . 1 . 2]" 1
736 1 29 TRP HB2 1 108 ARG QD . . 4.310 3.518 2.973 4.220 . 0 0 "[ . 1 . 2]" 1
737 1 29 TRP HB2 1 108 ARG HD3 . . 5.000 3.862 3.174 4.725 . 0 0 "[ . 1 . 2]" 1
738 1 29 TRP HB2 1 108 ARG HG2 . . 4.080 3.801 3.009 4.083 0.003 2 0 "[ . 1 . 2]" 1
739 1 29 TRP HB2 1 108 ARG QG . . 3.480 2.198 2.020 2.413 . 0 0 "[ . 1 . 2]" 1
740 1 29 TRP HB2 1 108 ARG HG3 . . 4.080 2.216 2.029 2.430 . 0 0 "[ . 1 . 2]" 1
741 1 29 TRP HB2 1 109 GLN H . . 4.430 3.623 3.440 3.751 . 0 0 "[ . 1 . 2]" 1
742 1 29 TRP HB2 1 109 GLN HE21 . . 5.500 4.132 3.640 4.589 . 0 0 "[ . 1 . 2]" 1
743 1 29 TRP HB2 1 109 GLN HE22 . . 5.490 3.153 2.864 3.449 . 0 0 "[ . 1 . 2]" 1
744 1 29 TRP HB3 1 29 TRP HD1 . . 3.740 3.465 3.446 3.494 . 0 0 "[ . 1 . 2]" 1
745 1 29 TRP HB3 1 47 VAL MG1 . . 4.630 4.139 4.009 4.251 . 0 0 "[ . 1 . 2]" 1
746 1 29 TRP HB3 1 106 TYR HB2 . . 4.320 2.947 2.491 3.210 . 0 0 "[ . 1 . 2]" 1
747 1 29 TRP HB3 1 106 TYR HB3 . . 4.450 3.449 3.081 3.583 . 0 0 "[ . 1 . 2]" 1
748 1 29 TRP HB3 1 107 LEU HA . . 4.710 3.112 2.859 3.494 . 0 0 "[ . 1 . 2]" 1
749 1 29 TRP HB3 1 108 ARG H . . 3.450 2.158 1.901 2.331 . 0 0 "[ . 1 . 2]" 1
750 1 29 TRP HB3 1 108 ARG QB . . 3.650 3.284 2.812 3.650 . 0 0 "[ . 1 . 2]" 1
751 1 29 TRP HB3 1 108 ARG HD2 . . 5.230 4.477 3.858 5.231 0.001 14 0 "[ . 1 . 2]" 1
752 1 29 TRP HB3 1 108 ARG QD . . 4.400 3.937 3.540 4.150 . 0 0 "[ . 1 . 2]" 1
753 1 29 TRP HB3 1 108 ARG HD3 . . 5.230 4.478 4.114 5.016 . 0 0 "[ . 1 . 2]" 1
754 1 29 TRP HB3 1 108 ARG HG2 . . 4.090 3.378 2.207 3.740 . 0 0 "[ . 1 . 2]" 1
755 1 29 TRP HB3 1 108 ARG QG . . 3.510 2.123 2.027 2.212 . 0 0 "[ . 1 . 2]" 1
756 1 29 TRP HB3 1 108 ARG HG3 . . 4.090 2.188 2.040 2.627 . 0 0 "[ . 1 . 2]" 1
757 1 29 TRP HB3 1 109 GLN H . . 4.290 4.109 3.862 4.270 . 0 0 "[ . 1 . 2]" 1
758 1 29 TRP HD1 1 106 TYR QD . . 5.370 5.066 4.610 5.331 . 0 0 "[ . 1 . 2]" 1
759 1 29 TRP HD1 1 108 ARG H . . 4.890 4.706 4.472 4.864 . 0 0 "[ . 1 . 2]" 1
760 1 29 TRP HD1 1 108 ARG QB . . 4.060 3.446 3.248 3.779 . 0 0 "[ . 1 . 2]" 1
761 1 29 TRP HD1 1 108 ARG HD2 . . 3.960 2.800 2.001 3.725 . 0 0 "[ . 1 . 2]" 1
762 1 29 TRP HD1 1 108 ARG HD3 . . 3.960 2.595 2.038 3.975 0.015 12 0 "[ . 1 . 2]" 1
763 1 29 TRP HD1 1 108 ARG QG . . 3.840 2.458 1.987 2.857 . 0 0 "[ . 1 . 2]" 1
764 1 29 TRP HE1 1 50 ASP HB2 . . 4.570 3.684 3.411 4.343 . 0 0 "[ . 1 . 2]" 1
765 1 29 TRP HE1 1 50 ASP HB3 . . 4.560 4.155 3.454 4.386 . 0 0 "[ . 1 . 2]" 1
766 1 29 TRP HE1 1 106 TYR QD . . 4.200 3.980 3.673 4.175 . 0 0 "[ . 1 . 2]" 1
767 1 29 TRP HE1 1 108 ARG QG . . 5.340 4.305 3.903 4.626 . 0 0 "[ . 1 . 2]" 1
768 1 29 TRP HE3 1 30 THR H . . 4.810 4.642 4.560 4.744 . 0 0 "[ . 1 . 2]" 1
769 1 29 TRP HE3 1 47 VAL MG1 . . 3.180 3.131 3.070 3.183 0.003 12 0 "[ . 1 . 2]" 1
770 1 29 TRP HE3 1 47 VAL MG2 . . 5.480 5.346 5.234 5.489 0.009 12 0 "[ . 1 . 2]" 1
771 1 29 TRP HE3 1 49 SER HA . . 3.970 2.994 2.805 3.104 . 0 0 "[ . 1 . 2]" 1
772 1 29 TRP HE3 1 105 VAL HA . . 4.040 3.872 3.584 4.004 . 0 0 "[ . 1 . 2]" 1
773 1 29 TRP HE3 1 105 VAL MG1 . . 3.680 3.551 3.356 3.684 0.004 12 0 "[ . 1 . 2]" 1
774 1 29 TRP HE3 1 106 TYR H . . 3.510 2.273 2.084 2.372 . 0 0 "[ . 1 . 2]" 1
775 1 29 TRP HE3 1 106 TYR HB2 . . 4.660 2.597 2.488 2.755 . 0 0 "[ . 1 . 2]" 1
776 1 29 TRP HE3 1 106 TYR QD . . 4.780 3.902 3.648 4.180 . 0 0 "[ . 1 . 2]" 1
777 1 29 TRP HH2 1 49 SER HA . . 4.490 4.387 4.269 4.467 . 0 0 "[ . 1 . 2]" 1
778 1 29 TRP HH2 1 49 SER HB2 . . 4.460 4.257 3.937 4.394 . 0 0 "[ . 1 . 2]" 1
779 1 29 TRP HH2 1 49 SER HB3 . . 5.420 5.279 5.033 5.421 0.001 6 0 "[ . 1 . 2]" 1
780 1 29 TRP HH2 1 50 ASP H . . 3.910 2.953 2.794 3.127 . 0 0 "[ . 1 . 2]" 1
781 1 29 TRP HH2 1 50 ASP HB3 . . 4.830 2.848 2.476 3.424 . 0 0 "[ . 1 . 2]" 1
782 1 29 TRP HH2 1 51 GLN H . . 5.190 4.629 4.405 4.842 . 0 0 "[ . 1 . 2]" 1
783 1 29 TRP HH2 1 106 TYR H . . 5.010 4.833 4.646 4.973 . 0 0 "[ . 1 . 2]" 1
784 1 29 TRP HH2 1 106 TYR QD . . 4.590 3.208 2.905 3.658 . 0 0 "[ . 1 . 2]" 1
785 1 29 TRP HH2 1 106 TYR QE . . 4.760 3.554 3.234 4.054 . 0 0 "[ . 1 . 2]" 1
786 1 29 TRP HZ2 1 50 ASP H . . 4.300 4.034 3.832 4.127 . 0 0 "[ . 1 . 2]" 1
787 1 29 TRP HZ2 1 50 ASP HB2 . . 4.280 3.240 2.850 3.847 . 0 0 "[ . 1 . 2]" 1
788 1 29 TRP HZ2 1 50 ASP HB3 . . 3.890 2.545 2.345 2.749 . 0 0 "[ . 1 . 2]" 1
789 1 29 TRP HZ2 1 106 TYR QD . . 4.100 3.033 2.862 3.370 . 0 0 "[ . 1 . 2]" 1
790 1 29 TRP HZ2 1 106 TYR QE . . 4.290 3.750 3.410 4.147 . 0 0 "[ . 1 . 2]" 1
791 1 29 TRP HZ3 1 47 VAL MG1 . . 4.300 4.253 4.162 4.305 0.005 12 0 "[ . 1 . 2]" 1
792 1 29 TRP HZ3 1 49 SER HA . . 3.500 2.666 2.503 2.796 . 0 0 "[ . 1 . 2]" 1
793 1 29 TRP HZ3 1 49 SER HB2 . . 4.370 3.456 3.125 3.635 . 0 0 "[ . 1 . 2]" 1
794 1 29 TRP HZ3 1 49 SER HB3 . . 4.320 3.663 3.360 3.857 . 0 0 "[ . 1 . 2]" 1
795 1 29 TRP HZ3 1 50 ASP H . . 4.590 2.782 2.648 2.958 . 0 0 "[ . 1 . 2]" 1
796 1 29 TRP HZ3 1 105 VAL HA . . 3.190 2.982 2.812 3.110 . 0 0 "[ . 1 . 2]" 1
797 1 29 TRP HZ3 1 106 TYR H . . 3.700 2.788 2.600 2.923 . 0 0 "[ . 1 . 2]" 1
798 1 29 TRP HZ3 1 106 TYR QD . . 4.590 3.642 3.365 4.036 . 0 0 "[ . 1 . 2]" 1
799 1 29 TRP HZ3 1 106 TYR QE . . 5.450 4.761 4.522 5.073 . 0 0 "[ . 1 . 2]" 1
800 1 30 THR H 1 30 THR HB . . 3.020 2.494 2.456 2.529 . 0 0 "[ . 1 . 2]" 1
801 1 30 THR H 1 30 THR HG1 . . 2.890 2.507 2.442 2.609 . 0 0 "[ . 1 . 2]" 1
802 1 30 THR H 1 30 THR MG . . 4.020 3.790 3.771 3.806 . 0 0 "[ . 1 . 2]" 1
803 1 30 THR H 1 31 PHE H . . 4.550 4.168 4.105 4.229 . 0 0 "[ . 1 . 2]" 1
804 1 30 THR H 1 47 VAL MG1 . . 4.380 3.093 2.913 3.297 . 0 0 "[ . 1 . 2]" 1
805 1 30 THR H 1 48 LEU H . . 3.920 2.769 2.650 2.945 . 0 0 "[ . 1 . 2]" 1
806 1 30 THR H 1 48 LEU HA . . 4.990 4.744 4.640 4.856 . 0 0 "[ . 1 . 2]" 1
807 1 30 THR H 1 48 LEU HB2 . . 3.940 3.870 3.753 3.937 . 0 0 "[ . 1 . 2]" 1
808 1 30 THR H 1 48 LEU HB3 . . 3.380 2.550 2.471 2.628 . 0 0 "[ . 1 . 2]" 1
809 1 30 THR H 1 48 LEU MD2 . . 4.320 4.127 3.976 4.225 . 0 0 "[ . 1 . 2]" 1
810 1 30 THR HA 1 30 THR HG1 . . 3.600 2.894 2.791 2.995 . 0 0 "[ . 1 . 2]" 1
811 1 30 THR HA 1 30 THR MG . . 3.090 2.365 2.304 2.463 . 0 0 "[ . 1 . 2]" 1
812 1 30 THR HA 1 31 PHE H . . 2.850 2.199 2.176 2.211 . 0 0 "[ . 1 . 2]" 1
813 1 30 THR HA 1 31 PHE HA . . 4.750 4.436 4.422 4.445 . 0 0 "[ . 1 . 2]" 1
814 1 30 THR HA 1 48 LEU H . . 4.900 4.478 4.409 4.562 . 0 0 "[ . 1 . 2]" 1
815 1 30 THR HA 1 108 ARG H . . 5.230 4.553 4.393 4.821 . 0 0 "[ . 1 . 2]" 1
816 1 30 THR HA 1 109 GLN H . . 3.530 3.521 3.448 3.536 0.006 20 0 "[ . 1 . 2]" 1
817 1 30 THR HA 1 109 GLN HE21 . . 4.130 3.416 2.676 3.842 . 0 0 "[ . 1 . 2]" 1
818 1 30 THR HA 1 109 GLN HG2 . . 4.060 3.069 2.711 3.209 . 0 0 "[ . 1 . 2]" 1
819 1 30 THR HA 1 109 GLN HG3 . . 4.860 4.726 4.315 4.867 0.007 14 0 "[ . 1 . 2]" 1
820 1 30 THR HA 1 110 PRO HA . . 4.610 4.233 4.131 4.375 . 0 0 "[ . 1 . 2]" 1
821 1 30 THR HB 1 30 THR HG1 . . 2.730 2.322 2.275 2.369 . 0 0 "[ . 1 . 2]" 1
822 1 30 THR HB 1 31 PHE H . . 4.540 4.455 4.432 4.471 . 0 0 "[ . 1 . 2]" 1
823 1 30 THR HB 1 48 LEU H . . 4.550 3.202 3.091 3.359 . 0 0 "[ . 1 . 2]" 1
824 1 30 THR HB 1 48 LEU HB2 . . 4.200 2.919 2.781 3.032 . 0 0 "[ . 1 . 2]" 1
825 1 30 THR HB 1 48 LEU HB3 . . 4.000 2.467 2.342 2.544 . 0 0 "[ . 1 . 2]" 1
826 1 30 THR HB 1 48 LEU MD1 . . 4.730 4.644 4.538 4.727 . 0 0 "[ . 1 . 2]" 1
827 1 30 THR HB 1 48 LEU MD2 . . 3.880 3.161 3.033 3.285 . 0 0 "[ . 1 . 2]" 1
828 1 30 THR HB 1 109 GLN HE21 . . 5.220 4.708 4.208 5.081 . 0 0 "[ . 1 . 2]" 1
829 1 30 THR HG1 1 30 THR MG . . 3.130 3.041 3.030 3.052 . 0 0 "[ . 1 . 2]" 1
830 1 30 THR HG1 1 31 PHE H . . 5.130 4.997 4.913 5.085 . 0 0 "[ . 1 . 2]" 1
831 1 30 THR HG1 1 48 LEU H . . 5.020 4.778 4.682 4.862 . 0 0 "[ . 1 . 2]" 1
832 1 30 THR HG1 1 48 LEU HB2 . . 4.810 4.751 4.646 4.808 . 0 0 "[ . 1 . 2]" 1
833 1 30 THR HG1 1 48 LEU HB3 . . 4.210 3.505 3.415 3.626 . 0 0 "[ . 1 . 2]" 1
834 1 30 THR HG1 1 48 LEU MD2 . . 3.890 3.788 3.701 3.890 . 4 0 "[ . 1 . 2]" 1
835 1 30 THR HG1 1 109 GLN HE21 . . 3.350 2.704 2.401 3.043 . 0 0 "[ . 1 . 2]" 1
836 1 30 THR HG1 1 109 GLN HE22 . . 4.390 3.667 3.146 4.333 . 0 0 "[ . 1 . 2]" 1
837 1 30 THR HG1 1 109 GLN HG2 . . 4.840 4.153 3.676 4.396 . 0 0 "[ . 1 . 2]" 1
838 1 30 THR MG 1 31 PHE HA . . 4.700 4.029 3.889 4.122 . 0 0 "[ . 1 . 2]" 1
839 1 30 THR MG 1 32 LEU QB . . 4.940 3.501 3.376 3.601 . 0 0 "[ . 1 . 2]" 1
840 1 30 THR MG 1 48 LEU H . . 4.810 4.085 3.917 4.299 . 0 0 "[ . 1 . 2]" 1
841 1 30 THR MG 1 109 GLN H . . 5.290 5.038 4.941 5.133 . 0 0 "[ . 1 . 2]" 1
842 1 30 THR MG 1 109 GLN HE21 . . 4.600 3.941 3.491 4.398 . 0 0 "[ . 1 . 2]" 1
843 1 30 THR MG 1 109 GLN HG2 . . 4.160 3.545 3.408 3.769 . 0 0 "[ . 1 . 2]" 1
844 1 30 THR MG 1 109 GLN HG3 . . 4.740 4.552 4.288 4.738 . 0 0 "[ . 1 . 2]" 1
845 1 30 THR MG 1 110 PRO HA . . 4.410 3.745 3.585 3.875 . 0 0 "[ . 1 . 2]" 1
846 1 30 THR MG 1 111 TYR HA . . 3.460 3.098 2.952 3.265 . 0 0 "[ . 1 . 2]" 1
847 1 30 THR MG 1 111 TYR HB2 . . 3.520 1.921 1.850 2.025 . 0 0 "[ . 1 . 2]" 1
848 1 30 THR MG 1 111 TYR HB3 . . 3.590 3.220 3.055 3.385 . 0 0 "[ . 1 . 2]" 1
849 1 30 THR MG 1 111 TYR QD . . 3.290 2.396 2.190 2.579 . 0 0 "[ . 1 . 2]" 1
850 1 30 THR MG 1 111 TYR QE . . 4.780 4.070 3.912 4.244 . 0 0 "[ . 1 . 2]" 1
851 1 30 THR MG 1 112 TYR H . . 4.970 4.790 4.612 4.954 . 0 0 "[ . 1 . 2]" 1
852 1 31 PHE H 1 31 PHE QD . . 4.170 2.063 1.924 2.249 . 0 0 "[ . 1 . 2]" 1
853 1 31 PHE H 1 31 PHE QE . . 4.300 4.072 3.962 4.236 . 0 0 "[ . 1 . 2]" 1
854 1 31 PHE H 1 32 LEU H . . 4.610 4.576 4.566 4.590 . 0 0 "[ . 1 . 2]" 1
855 1 31 PHE H 1 47 VAL MG1 . . 4.820 3.795 3.632 4.032 . 0 0 "[ . 1 . 2]" 1
856 1 31 PHE H 1 48 LEU H . . 5.240 4.642 4.528 4.741 . 0 0 "[ . 1 . 2]" 1
857 1 31 PHE H 1 108 ARG H . . 5.500 4.493 4.283 4.655 . 0 0 "[ . 1 . 2]" 1
858 1 31 PHE H 1 109 GLN H . . 4.030 3.900 3.808 3.972 . 0 0 "[ . 1 . 2]" 1
859 1 31 PHE HA 1 32 LEU H . . 2.980 2.380 2.297 2.462 . 0 0 "[ . 1 . 2]" 1
860 1 31 PHE HA 1 32 LEU HA . . 4.900 4.542 4.492 4.597 . 0 0 "[ . 1 . 2]" 1
861 1 31 PHE HA 1 32 LEU HG . . 4.600 4.385 4.029 4.557 . 0 0 "[ . 1 . 2]" 1
862 1 31 PHE HA 1 45 LEU MD1 . . 4.400 3.832 3.591 4.117 . 0 0 "[ . 1 . 2]" 1
863 1 31 PHE HA 1 47 VAL HB . . 4.570 4.442 4.357 4.549 . 0 0 "[ . 1 . 2]" 1
864 1 31 PHE HA 1 47 VAL MG1 . . 3.890 3.195 3.101 3.354 . 0 0 "[ . 1 . 2]" 1
865 1 31 PHE HA 1 47 VAL MG2 . . 3.730 2.090 1.977 2.309 . 0 0 "[ . 1 . 2]" 1
866 1 31 PHE HA 1 48 LEU H . . 3.950 3.687 3.580 3.816 . 0 0 "[ . 1 . 2]" 1
867 1 31 PHE HA 1 107 LEU MD2 . . 4.680 3.890 3.638 4.174 . 0 0 "[ . 1 . 2]" 1
868 1 31 PHE HB2 1 32 LEU H . . 3.350 2.575 2.400 2.775 . 0 0 "[ . 1 . 2]" 1
869 1 31 PHE HB2 1 45 LEU MD1 . . 3.930 2.282 2.037 2.495 . 0 0 "[ . 1 . 2]" 1
870 1 31 PHE HB2 1 45 LEU MD2 . . 4.410 3.968 3.432 4.376 . 0 0 "[ . 1 . 2]" 1
871 1 31 PHE HB2 1 47 VAL HB . . 5.480 5.119 4.888 5.240 . 0 0 "[ . 1 . 2]" 1
872 1 31 PHE HB2 1 47 VAL MG1 . . 4.250 4.054 3.904 4.199 . 0 0 "[ . 1 . 2]" 1
873 1 31 PHE HB2 1 47 VAL MG2 . . 3.280 2.150 2.065 2.326 . 0 0 "[ . 1 . 2]" 1
874 1 31 PHE HB2 1 89 VAL MG1 . . 4.870 3.899 3.713 4.079 . 0 0 "[ . 1 . 2]" 1
875 1 31 PHE HB2 1 107 LEU MD1 . . 4.880 4.696 4.563 4.849 . 0 0 "[ . 1 . 2]" 1
876 1 31 PHE HB2 1 107 LEU MD2 . . 3.700 2.150 1.994 2.327 . 0 0 "[ . 1 . 2]" 1
877 1 31 PHE HB2 1 107 LEU HG . . 4.840 3.793 3.632 4.069 . 0 0 "[ . 1 . 2]" 1
878 1 31 PHE HB3 1 32 LEU H . . 4.080 3.932 3.823 4.055 . 0 0 "[ . 1 . 2]" 1
879 1 31 PHE HB3 1 45 LEU MD1 . . 3.900 3.663 3.448 3.860 . 0 0 "[ . 1 . 2]" 1
880 1 31 PHE HB3 1 47 VAL HB . . 5.120 4.906 4.720 5.059 . 0 0 "[ . 1 . 2]" 1
881 1 31 PHE HB3 1 47 VAL MG1 . . 3.440 3.153 3.045 3.309 . 0 0 "[ . 1 . 2]" 1
882 1 31 PHE HB3 1 47 VAL MG2 . . 3.280 2.120 1.953 2.327 . 0 0 "[ . 1 . 2]" 1
883 1 31 PHE HB3 1 48 LEU H . . 5.420 5.109 4.922 5.227 . 0 0 "[ . 1 . 2]" 1
884 1 31 PHE HB3 1 107 LEU HA . . 4.690 3.058 2.699 3.289 . 0 0 "[ . 1 . 2]" 1
885 1 31 PHE HB3 1 107 LEU MD2 . . 3.390 2.245 2.048 2.582 . 0 0 "[ . 1 . 2]" 1
886 1 31 PHE HB3 1 107 LEU HG . . 4.760 2.766 2.628 2.916 . 0 0 "[ . 1 . 2]" 1
887 1 31 PHE HB3 1 108 ARG H . . 5.500 4.955 4.718 5.132 . 0 0 "[ . 1 . 2]" 1
888 1 31 PHE HB3 1 109 GLN H . . 5.500 5.423 5.280 5.499 . 0 0 "[ . 1 . 2]" 1
889 1 31 PHE QD 1 47 VAL MG2 . . 4.770 3.750 3.616 3.803 . 0 0 "[ . 1 . 2]" 1
890 1 31 PHE QD 1 107 LEU MD2 . . 4.590 2.804 2.649 2.967 . 0 0 "[ . 1 . 2]" 1
891 1 31 PHE QD 1 109 GLN H . . 4.340 3.378 3.207 3.609 . 0 0 "[ . 1 . 2]" 1
892 1 31 PHE QE 1 32 LEU H . . 5.500 5.169 4.876 5.460 . 0 0 "[ . 1 . 2]" 1
893 1 31 PHE QE 1 45 LEU MD1 . . 4.560 4.199 3.619 4.465 . 0 0 "[ . 1 . 2]" 1
894 1 31 PHE QE 1 89 VAL MG1 . . 4.090 2.359 2.080 2.676 . 0 0 "[ . 1 . 2]" 1
895 1 31 PHE QE 1 107 LEU HA . . 4.850 4.642 4.449 4.822 . 0 0 "[ . 1 . 2]" 1
896 1 31 PHE QE 1 107 LEU HB3 . . 4.690 3.435 3.215 3.646 . 0 0 "[ . 1 . 2]" 1
897 1 31 PHE QE 1 108 ARG H . . 4.960 4.856 4.654 4.962 0.002 2 0 "[ . 1 . 2]" 1
898 1 31 PHE QE 1 109 GLN H . . 4.230 3.818 3.479 4.191 . 0 0 "[ . 1 . 2]" 1
899 1 31 PHE QE 1 110 PRO HA . . 4.700 3.135 2.943 3.289 . 0 0 "[ . 1 . 2]" 1
900 1 31 PHE QE 1 110 PRO QD . . 4.720 2.358 2.101 2.745 . 0 0 "[ . 1 . 2]" 1
901 1 31 PHE HZ 1 89 VAL HB . . 5.500 5.360 4.992 5.504 0.004 10 0 "[ . 1 . 2]" 1
902 1 31 PHE HZ 1 89 VAL MG1 . . 3.460 3.192 2.827 3.318 . 0 0 "[ . 1 . 2]" 1
903 1 31 PHE HZ 1 93 LYS HD2 . . 4.590 3.788 3.459 4.141 . 0 0 "[ . 1 . 2]" 1
904 1 31 PHE HZ 1 93 LYS QD . . 3.890 2.583 2.340 2.833 . 0 0 "[ . 1 . 2]" 1
905 1 31 PHE HZ 1 93 LYS HD3 . . 4.590 2.630 2.377 2.894 . 0 0 "[ . 1 . 2]" 1
906 1 31 PHE HZ 1 93 LYS HE2 . . 4.360 3.850 3.628 4.047 . 0 0 "[ . 1 . 2]" 1
907 1 31 PHE HZ 1 93 LYS HE3 . . 5.080 4.851 4.588 5.059 . 0 0 "[ . 1 . 2]" 1
908 1 31 PHE HZ 1 107 LEU MD2 . . 4.860 4.678 4.438 4.871 0.011 12 0 "[ . 1 . 2]" 1
909 1 31 PHE HZ 1 110 PRO HA . . 4.690 3.786 3.596 3.964 . 0 0 "[ . 1 . 2]" 1
910 1 31 PHE HZ 1 110 PRO HB3 . . 4.240 2.542 2.374 2.798 . 0 0 "[ . 1 . 2]" 1
911 1 31 PHE HZ 1 110 PRO QD . . 4.230 2.933 2.543 3.535 . 0 0 "[ . 1 . 2]" 1
912 1 31 PHE HZ 1 110 PRO QG . . 4.180 3.374 3.108 3.874 . 0 0 "[ . 1 . 2]" 1
913 1 32 LEU H 1 32 LEU QB . . 3.790 3.114 3.013 3.210 . 0 0 "[ . 1 . 2]" 1
914 1 32 LEU H 1 32 LEU MD2 . . 4.110 4.042 3.928 4.109 . 0 0 "[ . 1 . 2]" 1
915 1 32 LEU H 1 32 LEU HG . . 3.310 2.919 2.772 3.110 . 0 0 "[ . 1 . 2]" 1
916 1 32 LEU H 1 33 VAL MG2 . . 4.810 4.219 3.917 4.395 . 0 0 "[ . 1 . 2]" 1
917 1 32 LEU H 1 45 LEU MD1 . . 3.570 2.746 2.199 3.202 . 0 0 "[ . 1 . 2]" 1
918 1 32 LEU H 1 46 SER QB . . 4.080 3.778 3.336 4.053 . 0 0 "[ . 1 . 2]" 1
919 1 32 LEU H 1 46 SER HG . . 5.500 5.247 4.156 5.500 0.000 12 0 "[ . 1 . 2]" 1
920 1 32 LEU H 1 47 VAL MG2 . . 3.700 3.206 3.045 3.417 . 0 0 "[ . 1 . 2]" 1
921 1 32 LEU HA 1 32 LEU MD1 . . 4.100 3.391 3.242 3.550 . 0 0 "[ . 1 . 2]" 1
922 1 32 LEU HA 1 32 LEU MD2 . . 4.240 4.114 4.076 4.134 . 0 0 "[ . 1 . 2]" 1
923 1 32 LEU HA 1 33 VAL H . . 3.100 2.181 2.154 2.221 . 0 0 "[ . 1 . 2]" 1
924 1 32 LEU HA 1 33 VAL HB . . 5.140 4.759 4.668 4.900 . 0 0 "[ . 1 . 2]" 1
925 1 32 LEU HA 1 33 VAL MG2 . . 4.040 3.522 3.351 3.654 . 0 0 "[ . 1 . 2]" 1
926 1 32 LEU HA 1 110 PRO HA . . 4.920 4.042 3.921 4.256 . 0 0 "[ . 1 . 2]" 1
927 1 32 LEU HA 1 111 TYR H . . 4.300 3.490 3.272 3.685 . 0 0 "[ . 1 . 2]" 1
928 1 32 LEU HA 1 111 TYR HB2 . . 5.500 4.886 4.591 5.160 . 0 0 "[ . 1 . 2]" 1
929 1 32 LEU HA 1 111 TYR HB3 . . 4.700 3.802 3.538 4.085 . 0 0 "[ . 1 . 2]" 1
930 1 32 LEU QB 1 32 LEU MD1 . . 3.130 2.056 1.977 2.178 . 0 0 "[ . 1 . 2]" 1
931 1 32 LEU QB 1 32 LEU MD2 . . 3.010 2.018 1.921 2.093 . 0 0 "[ . 1 . 2]" 1
932 1 32 LEU QB 1 33 VAL H . . 3.360 3.098 2.928 3.231 . 0 0 "[ . 1 . 2]" 1
933 1 32 LEU QB 1 33 VAL MG2 . . 5.060 4.646 4.517 4.770 . 0 0 "[ . 1 . 2]" 1
934 1 32 LEU QB 1 46 SER QB . . 4.930 4.127 3.873 4.695 . 0 0 "[ . 1 . 2]" 1
935 1 32 LEU QB 1 110 PRO HA . . 5.500 4.430 4.203 4.764 . 0 0 "[ . 1 . 2]" 1
936 1 32 LEU QB 1 111 TYR H . . 3.980 3.385 3.160 3.776 . 0 0 "[ . 1 . 2]" 1
937 1 32 LEU QB 1 111 TYR HB2 . . 3.950 3.029 2.704 3.281 . 0 0 "[ . 1 . 2]" 1
938 1 32 LEU QB 1 111 TYR HB3 . . 3.760 2.089 1.914 2.356 . 0 0 "[ . 1 . 2]" 1
939 1 32 LEU QB 1 111 TYR QD . . 4.100 3.060 2.698 3.325 . 0 0 "[ . 1 . 2]" 1
940 1 32 LEU MD1 1 33 VAL H . . 3.630 3.083 2.833 3.331 . 0 0 "[ . 1 . 2]" 1
941 1 32 LEU MD1 1 33 VAL HA . . 4.490 3.313 3.072 3.513 . 0 0 "[ . 1 . 2]" 1
942 1 32 LEU MD1 1 34 ARG H . . 4.240 3.684 3.325 3.957 . 0 0 "[ . 1 . 2]" 1
943 1 32 LEU MD1 1 34 ARG HA . . 4.290 3.991 3.769 4.251 . 0 0 "[ . 1 . 2]" 1
944 1 32 LEU MD1 1 34 ARG HB2 . . 4.000 3.784 3.612 3.946 . 0 0 "[ . 1 . 2]" 1
945 1 32 LEU MD1 1 34 ARG HB3 . . 4.000 2.453 2.204 2.622 . 0 0 "[ . 1 . 2]" 1
946 1 32 LEU MD1 1 34 ARG QD . . 3.490 2.520 1.924 3.499 0.009 12 0 "[ . 1 . 2]" 1
947 1 32 LEU MD1 1 46 SER H . . 3.870 3.583 3.091 3.871 0.001 4 0 "[ . 1 . 2]" 1
948 1 32 LEU MD1 1 46 SER QB . . 3.170 3.091 2.983 3.214 0.044 12 0 "[ . 1 . 2]" 1
949 1 32 LEU MD1 1 111 TYR QD . . 4.640 3.837 3.566 4.260 . 0 0 "[ . 1 . 2]" 1
950 1 32 LEU MD2 1 33 VAL H . . 5.330 4.996 4.875 5.111 . 0 0 "[ . 1 . 2]" 1
951 1 32 LEU MD2 1 46 SER QB . . 4.110 2.719 2.168 3.201 . 0 0 "[ . 1 . 2]" 1
952 1 32 LEU MD2 1 111 TYR H . . 5.480 4.982 4.696 5.432 . 0 0 "[ . 1 . 2]" 1
953 1 32 LEU MD2 1 111 TYR HB2 . . 4.050 3.503 3.156 3.879 . 0 0 "[ . 1 . 2]" 1
954 1 32 LEU MD2 1 111 TYR HB3 . . 3.920 2.848 2.475 3.326 . 0 0 "[ . 1 . 2]" 1
955 1 32 LEU MD2 1 111 TYR QD . . 3.730 2.684 2.247 3.151 . 0 0 "[ . 1 . 2]" 1
956 1 32 LEU MD2 1 111 TYR QE . . 4.310 3.770 3.356 4.213 . 0 0 "[ . 1 . 2]" 1
957 1 32 LEU HG 1 33 VAL H . . 4.670 4.476 4.262 4.669 . 0 0 "[ . 1 . 2]" 1
958 1 32 LEU HG 1 46 SER H . . 4.500 3.248 2.804 3.737 . 0 0 "[ . 1 . 2]" 1
959 1 32 LEU HG 1 46 SER QB . . 3.960 2.165 1.986 2.811 . 0 0 "[ . 1 . 2]" 1
960 1 33 VAL H 1 33 VAL HB . . 3.600 2.630 2.535 2.797 . 0 0 "[ . 1 . 2]" 1
961 1 33 VAL H 1 33 VAL MG1 . . 4.410 3.820 3.798 3.856 . 0 0 "[ . 1 . 2]" 1
962 1 33 VAL H 1 33 VAL MG2 . . 3.500 2.378 2.200 2.505 . 0 0 "[ . 1 . 2]" 1
963 1 33 VAL HA 1 33 VAL MG1 . . 3.740 2.331 2.158 2.381 . 0 0 "[ . 1 . 2]" 1
964 1 33 VAL HA 1 33 VAL MG2 . . 3.360 2.394 2.305 2.522 . 0 0 "[ . 1 . 2]" 1
965 1 33 VAL HA 1 34 ARG H . . 3.200 2.231 2.161 2.297 . 0 0 "[ . 1 . 2]" 1
966 1 33 VAL HA 1 45 LEU HA . . 4.020 3.035 2.757 3.279 . 0 0 "[ . 1 . 2]" 1
967 1 33 VAL HA 1 46 SER H . . 4.320 3.740 3.533 3.925 . 0 0 "[ . 1 . 2]" 1
968 1 33 VAL HB 1 34 ARG H . . 4.320 3.840 3.555 4.093 . 0 0 "[ . 1 . 2]" 1
969 1 33 VAL HB 1 34 ARG HA . . 4.980 4.460 4.263 4.616 . 0 0 "[ . 1 . 2]" 1
970 1 33 VAL HB 1 85 LEU MD2 . . 5.500 5.490 5.379 5.508 0.008 14 0 "[ . 1 . 2]" 1
971 1 33 VAL MG1 1 34 ARG H . . 3.450 2.175 1.902 2.549 . 0 0 "[ . 1 . 2]" 1
972 1 33 VAL MG1 1 34 ARG HA . . 4.480 3.403 3.146 3.685 . 0 0 "[ . 1 . 2]" 1
973 1 33 VAL MG1 1 43 PHE HB3 . . 3.940 3.210 2.980 3.385 . 0 0 "[ . 1 . 2]" 1
974 1 33 VAL MG1 1 43 PHE QD . . 3.900 3.068 2.766 3.682 . 0 0 "[ . 1 . 2]" 1
975 1 33 VAL MG1 1 44 VAL H . . 4.040 3.573 3.162 3.760 . 0 0 "[ . 1 . 2]" 1
976 1 33 VAL MG1 1 45 LEU HA . . 4.310 3.966 3.309 4.301 . 0 0 "[ . 1 . 2]" 1
977 1 33 VAL MG1 1 85 LEU MD1 . . 3.410 2.302 1.957 2.619 . 0 0 "[ . 1 . 2]" 1
978 1 33 VAL MG1 1 85 LEU HG . . 3.860 1.971 1.913 2.051 . 0 0 "[ . 1 . 2]" 1
979 1 33 VAL MG1 1 89 VAL MG2 . . 4.660 3.909 3.499 4.254 . 0 0 "[ . 1 . 2]" 1
980 1 33 VAL MG2 1 34 ARG H . . 4.060 4.007 3.884 4.075 0.015 5 0 "[ . 1 . 2]" 1
981 1 33 VAL MG2 1 45 LEU HA . . 3.890 3.793 3.549 3.912 0.022 14 0 "[ . 1 . 2]" 1
982 1 33 VAL MG2 1 45 LEU QB . . 4.150 3.950 3.618 4.142 . 0 0 "[ . 1 . 2]" 1
983 1 33 VAL MG2 1 46 SER H . . 4.870 4.690 4.345 4.882 0.012 14 0 "[ . 1 . 2]" 1
984 1 33 VAL MG2 1 89 VAL HB . . 4.700 4.486 4.309 4.662 . 0 0 "[ . 1 . 2]" 1
985 1 33 VAL MG2 1 89 VAL MG1 . . 4.110 3.647 3.399 3.841 . 0 0 "[ . 1 . 2]" 1
986 1 33 VAL MG2 1 89 VAL MG2 . . 3.080 2.543 2.333 2.712 . 0 0 "[ . 1 . 2]" 1
987 1 34 ARG H 1 34 ARG QD . . 5.340 4.434 4.052 4.673 . 0 0 "[ . 1 . 2]" 1
988 1 34 ARG H 1 34 ARG QG . . 3.280 2.532 2.232 2.739 . 0 0 "[ . 1 . 2]" 1
989 1 34 ARG H 1 44 VAL H . . 3.720 3.365 3.112 3.582 . 0 0 "[ . 1 . 2]" 1
990 1 34 ARG H 1 44 VAL HB . . 4.430 4.063 3.620 4.442 0.012 12 0 "[ . 1 . 2]" 1
991 1 34 ARG H 1 45 LEU HA . . 4.290 4.095 3.793 4.291 0.001 5 0 "[ . 1 . 2]" 1
992 1 34 ARG HA 1 34 ARG HD2 . . 5.500 4.788 4.424 5.505 0.005 12 0 "[ . 1 . 2]" 1
993 1 34 ARG HA 1 34 ARG HD3 . . 5.500 4.960 4.577 5.515 0.015 14 0 "[ . 1 . 2]" 1
994 1 34 ARG HA 1 34 ARG QG . . 3.720 3.336 3.302 3.344 . 0 0 "[ . 1 . 2]" 1
995 1 34 ARG HA 1 35 GLU H . . 3.410 2.232 2.141 2.622 . 0 0 "[ . 1 . 2]" 1
996 1 34 ARG HB2 1 35 GLU H . . 3.650 3.082 2.261 3.637 . 0 0 "[ . 1 . 2]" 1
997 1 34 ARG HB3 1 35 GLU H . . 4.370 4.091 3.701 4.373 0.003 17 0 "[ . 1 . 2]" 1
998 1 34 ARG QD 1 46 SER HG . . 4.410 3.676 2.801 4.427 0.017 12 0 "[ . 1 . 2]" 1
999 1 34 ARG QG 1 44 VAL H . . 4.390 3.849 3.474 4.212 . 0 0 "[ . 1 . 2]" 1
1000 1 34 ARG QG 1 44 VAL MG2 . . 4.180 3.800 3.517 3.976 . 0 0 "[ . 1 . 2]" 1
1001 1 34 ARG HG2 1 44 VAL HB . . 4.020 3.390 2.923 4.007 . 0 0 "[ . 1 . 2]" 1
1002 1 34 ARG HG3 1 44 VAL HB . . 4.020 2.802 2.355 4.038 0.018 12 0 "[ . 1 . 2]" 1
1003 1 35 GLU H 1 35 GLU QB . . 3.480 2.254 2.109 2.716 . 0 0 "[ . 1 . 2]" 1
1004 1 35 GLU H 1 35 GLU HG2 . . 4.270 3.803 2.130 4.362 0.092 10 0 "[ . 1 . 2]" 1
1005 1 35 GLU H 1 35 GLU QG . . 3.730 3.050 1.876 3.730 0.000 10 0 "[ . 1 . 2]" 1
1006 1 35 GLU H 1 35 GLU HG3 . . 4.270 3.354 1.889 4.321 0.051 9 0 "[ . 1 . 2]" 1
1007 1 35 GLU HA 1 35 GLU HG2 . . 4.090 2.570 2.164 4.195 0.105 20 0 "[ . 1 . 2]" 1
1008 1 35 GLU HA 1 35 GLU QG . . 3.370 2.405 2.143 3.405 0.035 20 0 "[ . 1 . 2]" 1
1009 1 35 GLU HA 1 35 GLU HG3 . . 4.090 3.082 2.475 3.706 . 0 0 "[ . 1 . 2]" 1
1010 1 35 GLU HA 1 43 PHE HA . . 3.390 3.044 2.443 3.395 0.005 12 0 "[ . 1 . 2]" 1
1011 1 35 GLU HA 1 43 PHE HB3 . . 4.880 4.076 3.362 4.520 . 0 0 "[ . 1 . 2]" 1
1012 1 35 GLU HA 1 43 PHE QD . . 4.560 3.402 2.222 4.202 . 0 0 "[ . 1 . 2]" 1
1013 1 35 GLU HA 1 44 VAL H . . 4.470 3.939 3.494 4.276 . 0 0 "[ . 1 . 2]" 1
1014 1 35 GLU QG 1 43 PHE QD . . 4.680 3.862 3.223 4.582 . 0 0 "[ . 1 . 2]" 1
1015 1 35 GLU QG 1 43 PHE QE . . 4.190 3.732 3.203 4.175 . 0 0 "[ . 1 . 2]" 1
1016 1 36 SER QB 1 42 ASP H . . 4.790 3.854 3.013 4.768 . 0 0 "[ . 1 . 2]" 1
1017 1 36 SER QB 1 44 VAL MG2 . . 3.850 2.830 1.944 3.843 . 0 0 "[ . 1 . 2]" 1
1018 1 36 SER HB2 1 42 ASP QB . . 4.100 3.349 2.558 3.941 . 0 0 "[ . 1 . 2]" 1
1019 1 36 SER HB3 1 42 ASP QB . . 4.100 3.367 2.071 4.086 . 0 0 "[ . 1 . 2]" 1
1020 1 37 LEU HA 1 37 LEU MD1 . . 4.530 3.574 2.272 3.951 . 0 0 "[ . 1 . 2]" 1
1021 1 37 LEU HA 1 37 LEU QD . . 3.350 2.314 1.871 3.120 . 0 0 "[ . 1 . 2]" 1
1022 1 37 LEU HA 1 37 LEU MD2 . . 4.530 2.497 1.963 3.833 . 0 0 "[ . 1 . 2]" 1
1023 1 37 LEU HA 1 37 LEU HG . . 3.520 2.935 2.264 3.683 0.163 18 0 "[ . 1 . 2]" 1
1024 1 38 SER HB2 1 39 GLN H . . 4.890 3.142 2.031 4.639 . 0 0 "[ . 1 . 2]" 1
1025 1 38 SER HB3 1 39 GLN H . . 4.890 2.913 1.916 4.407 . 0 0 "[ . 1 . 2]" 1
1026 1 39 GLN H 1 39 GLN QB . . 3.530 2.347 2.144 2.596 . 0 0 "[ . 1 . 2]" 1
1027 1 39 GLN H 1 39 GLN HG2 . . 4.630 4.161 3.033 4.696 0.066 9 0 "[ . 1 . 2]" 1
1028 1 39 GLN H 1 39 GLN HG3 . . 4.630 3.714 2.106 4.643 0.013 8 0 "[ . 1 . 2]" 1
1029 1 39 GLN H 1 40 PRO HD2 . . 4.930 4.713 4.447 4.841 . 0 0 "[ . 1 . 2]" 1
1030 1 39 GLN H 1 40 PRO HD3 . . 4.930 4.545 3.952 4.889 . 0 0 "[ . 1 . 2]" 1
1031 1 39 GLN HA 1 39 GLN QE . . 4.730 3.979 2.664 4.720 . 0 0 "[ . 1 . 2]" 1
1032 1 39 GLN HA 1 39 GLN HG2 . . 3.940 3.038 2.214 3.728 . 0 0 "[ . 1 . 2]" 1
1033 1 39 GLN HA 1 39 GLN HG3 . . 3.940 2.806 2.342 3.475 . 0 0 "[ . 1 . 2]" 1
1034 1 39 GLN HA 1 40 PRO HA . . 4.780 4.469 4.402 4.565 . 0 0 "[ . 1 . 2]" 1
1035 1 39 GLN HA 1 40 PRO HD2 . . 3.240 2.007 1.914 2.227 . 0 0 "[ . 1 . 2]" 1
1036 1 39 GLN HA 1 40 PRO QD . . 2.810 1.893 1.851 1.996 . 0 0 "[ . 1 . 2]" 1
1037 1 39 GLN HA 1 40 PRO HD3 . . 3.240 2.364 2.252 2.625 . 0 0 "[ . 1 . 2]" 1
1038 1 39 GLN HA 1 40 PRO QG . . 4.470 3.800 3.765 3.899 . 0 0 "[ . 1 . 2]" 1
1039 1 39 GLN QB 1 39 GLN QE . . 4.040 2.804 1.976 3.720 . 0 0 "[ . 1 . 2]" 1
1040 1 39 GLN QB 1 40 PRO QD . . 4.460 3.279 2.329 3.734 . 0 0 "[ . 1 . 2]" 1
1041 1 39 GLN QB 1 42 ASP H . . 4.480 3.363 2.212 4.123 . 0 0 "[ . 1 . 2]" 1
1042 1 39 GLN QB 1 42 ASP HA . . 5.340 4.597 4.199 5.044 . 0 0 "[ . 1 . 2]" 1
1043 1 39 GLN QB 1 42 ASP QB . . 3.360 2.037 1.838 2.325 . 0 0 "[ . 1 . 2]" 1
1044 1 39 GLN HB2 1 42 ASP QB . . 4.110 2.921 2.015 3.794 . 0 0 "[ . 1 . 2]" 1
1045 1 39 GLN HB3 1 42 ASP QB . . 4.110 2.158 1.964 2.437 . 0 0 "[ . 1 . 2]" 1
1046 1 39 GLN QG 1 40 PRO QD . . 3.840 2.903 1.878 3.691 . 0 0 "[ . 1 . 2]" 1
1047 1 39 GLN QG 1 42 ASP QB . . 3.820 3.120 1.847 3.790 . 0 0 "[ . 1 . 2]" 1
1048 1 39 GLN HG2 1 42 ASP QB . . 4.420 3.428 1.919 4.349 . 0 0 "[ . 1 . 2]" 1
1049 1 39 GLN HG3 1 42 ASP QB . . 4.420 3.750 2.155 4.465 0.045 12 0 "[ . 1 . 2]" 1
1050 1 40 PRO HA 1 41 GLY H . . 3.270 2.457 2.154 3.293 0.023 20 0 "[ . 1 . 2]" 1
1051 1 40 PRO HA 1 42 ASP H . . 4.700 4.193 3.766 4.708 0.008 12 0 "[ . 1 . 2]" 1
1052 1 40 PRO QB 1 41 GLY H . . 3.940 3.518 3.029 3.746 . 0 0 "[ . 1 . 2]" 1
1053 1 40 PRO QG 1 41 GLY H . . 4.870 4.350 3.304 4.757 . 0 0 "[ . 1 . 2]" 1
1054 1 41 GLY H 1 42 ASP H . . 4.030 2.886 1.964 3.523 . 0 0 "[ . 1 . 2]" 1
1055 1 41 GLY H 1 42 ASP QB . . 4.990 4.468 3.666 4.965 . 0 0 "[ . 1 . 2]" 1
1056 1 41 GLY QA 1 42 ASP HA . . 4.700 4.009 3.962 4.062 . 0 0 "[ . 1 . 2]" 1
1057 1 41 GLY QA 1 42 ASP QB . . 5.340 4.369 4.093 4.622 . 0 0 "[ . 1 . 2]" 1
1058 1 42 ASP H 1 42 ASP QB . . 3.530 2.460 2.205 2.724 . 0 0 "[ . 1 . 2]" 1
1059 1 42 ASP HA 1 43 PHE H . . 3.410 2.366 2.147 2.594 . 0 0 "[ . 1 . 2]" 1
1060 1 42 ASP HA 1 43 PHE QD . . 3.900 2.732 2.340 3.340 . 0 0 "[ . 1 . 2]" 1
1061 1 42 ASP HA 1 67 VAL HB . . 5.500 5.277 4.949 5.510 0.010 20 0 "[ . 1 . 2]" 1
1062 1 42 ASP HA 1 68 MET HA . . 4.550 4.060 3.647 4.493 . 0 0 "[ . 1 . 2]" 1
1063 1 42 ASP HA 1 69 CYS H . . 4.510 4.293 3.521 4.503 . 0 0 "[ . 1 . 2]" 1
1064 1 42 ASP HA 1 69 CYS HB2 . . 4.790 3.602 2.893 4.728 . 0 0 "[ . 1 . 2]" 1
1065 1 42 ASP HA 1 69 CYS QB . . 3.980 3.210 2.652 3.865 . 0 0 "[ . 1 . 2]" 1
1066 1 42 ASP HA 1 69 CYS HB3 . . 4.790 3.696 2.899 4.529 . 0 0 "[ . 1 . 2]" 1
1067 1 42 ASP QB 1 43 PHE H . . 3.450 2.857 2.023 3.373 . 0 0 "[ . 1 . 2]" 1
1068 1 42 ASP QB 1 43 PHE HA . . 4.940 4.208 3.974 4.395 . 0 0 "[ . 1 . 2]" 1
1069 1 42 ASP QB 1 44 VAL MG2 . . 4.730 4.134 3.660 4.644 . 0 0 "[ . 1 . 2]" 1
1070 1 42 ASP QB 1 68 MET HA . . 4.370 3.981 3.306 4.375 0.005 2 0 "[ . 1 . 2]" 1
1071 1 42 ASP QB 1 69 CYS H . . 5.500 4.915 4.273 5.365 . 0 0 "[ . 1 . 2]" 1
1072 1 43 PHE H 1 43 PHE QD . . 4.410 2.374 1.918 2.869 . 0 0 "[ . 1 . 2]" 1
1073 1 43 PHE H 1 44 VAL MG2 . . 4.960 4.251 3.942 4.595 . 0 0 "[ . 1 . 2]" 1
1074 1 43 PHE H 1 67 VAL H . . 5.060 3.818 3.406 4.498 . 0 0 "[ . 1 . 2]" 1
1075 1 43 PHE H 1 67 VAL HB . . 4.400 3.136 2.742 3.456 . 0 0 "[ . 1 . 2]" 1
1076 1 43 PHE H 1 67 VAL MG1 . . 5.170 3.788 3.209 4.230 . 0 0 "[ . 1 . 2]" 1
1077 1 43 PHE HA 1 43 PHE QD . . 3.790 3.167 2.958 3.231 . 0 0 "[ . 1 . 2]" 1
1078 1 43 PHE HA 1 44 VAL H . . 3.310 2.516 2.328 2.616 . 0 0 "[ . 1 . 2]" 1
1079 1 43 PHE HA 1 44 VAL MG2 . . 4.250 3.383 3.155 3.643 . 0 0 "[ . 1 . 2]" 1
1080 1 43 PHE HA 1 67 VAL HB . . 4.530 4.239 3.939 4.486 . 0 0 "[ . 1 . 2]" 1
1081 1 43 PHE HB2 1 44 VAL H . . 3.830 3.356 3.104 3.708 . 0 0 "[ . 1 . 2]" 1
1082 1 43 PHE HB2 1 67 VAL HB . . 3.340 2.061 2.000 2.254 . 0 0 "[ . 1 . 2]" 1
1083 1 43 PHE HB2 1 67 VAL MG1 . . 3.550 2.666 2.213 3.055 . 0 0 "[ . 1 . 2]" 1
1084 1 43 PHE HB2 1 67 VAL MG2 . . 3.790 3.323 3.099 3.571 . 0 0 "[ . 1 . 2]" 1
1085 1 43 PHE HB2 1 85 LEU MD1 . . 4.460 3.346 3.131 3.673 . 0 0 "[ . 1 . 2]" 1
1086 1 43 PHE HB2 1 85 LEU MD2 . . 4.160 3.275 2.846 4.030 . 0 0 "[ . 1 . 2]" 1
1087 1 43 PHE HB3 1 44 VAL H . . 3.450 2.226 2.008 2.632 . 0 0 "[ . 1 . 2]" 1
1088 1 43 PHE HB3 1 67 VAL HB . . 3.820 3.291 3.000 3.525 . 0 0 "[ . 1 . 2]" 1
1089 1 43 PHE HB3 1 67 VAL MG1 . . 4.320 3.948 3.499 4.320 . 0 0 "[ . 1 . 2]" 1
1090 1 43 PHE HB3 1 67 VAL MG2 . . 4.460 3.725 3.512 4.020 . 0 0 "[ . 1 . 2]" 1
1091 1 43 PHE HB3 1 85 LEU MD1 . . 4.860 3.239 2.879 3.602 . 0 0 "[ . 1 . 2]" 1
1092 1 43 PHE HB3 1 85 LEU MD2 . . 4.600 3.325 2.893 4.085 . 0 0 "[ . 1 . 2]" 1
1093 1 43 PHE HB3 1 85 LEU HG . . 5.390 4.180 3.831 4.754 . 0 0 "[ . 1 . 2]" 1
1094 1 43 PHE QD 1 44 VAL H . . 4.270 3.852 3.491 4.036 . 0 0 "[ . 1 . 2]" 1
1095 1 43 PHE QD 1 67 VAL HB . . 4.440 3.912 3.700 4.139 . 0 0 "[ . 1 . 2]" 1
1096 1 43 PHE QD 1 67 VAL MG1 . . 3.960 3.598 3.132 3.954 . 0 0 "[ . 1 . 2]" 1
1097 1 43 PHE QD 1 69 CYS QB . . 4.390 3.169 2.243 3.626 . 0 0 "[ . 1 . 2]" 1
1098 1 43 PHE QD 1 85 LEU MD1 . . 4.440 3.837 3.519 4.128 . 0 0 "[ . 1 . 2]" 1
1099 1 43 PHE QD 1 85 LEU MD2 . . 4.030 2.789 2.288 3.454 . 0 0 "[ . 1 . 2]" 1
1100 1 43 PHE QD 1 85 LEU HG . . 4.870 3.691 3.298 4.688 . 0 0 "[ . 1 . 2]" 1
1101 1 43 PHE QE 1 69 CYS HB2 . . 4.880 3.378 2.590 4.879 . 0 0 "[ . 1 . 2]" 1
1102 1 43 PHE QE 1 69 CYS QB . . 4.070 3.207 2.530 3.629 . 0 0 "[ . 1 . 2]" 1
1103 1 43 PHE QE 1 69 CYS HB3 . . 4.880 4.264 3.541 4.860 . 0 0 "[ . 1 . 2]" 1
1104 1 43 PHE QE 1 74 TYR QD . . 4.670 4.135 3.917 4.311 . 0 0 "[ . 1 . 2]" 1
1105 1 43 PHE QE 1 74 TYR QE . . 3.670 2.098 1.996 2.373 . 0 0 "[ . 1 . 2]" 1
1106 1 43 PHE QE 1 85 LEU MD1 . . 5.260 5.050 4.779 5.263 0.003 3 0 "[ . 1 . 2]" 1
1107 1 43 PHE QE 1 85 LEU MD2 . . 4.500 3.227 2.854 3.760 . 0 0 "[ . 1 . 2]" 1
1108 1 43 PHE HZ 1 74 TYR QE . . 4.510 3.740 3.468 4.074 . 0 0 "[ . 1 . 2]" 1
1109 1 43 PHE HZ 1 85 LEU MD2 . . 4.460 4.034 3.829 4.391 . 0 0 "[ . 1 . 2]" 1
1110 1 44 VAL H 1 44 VAL HB . . 3.770 2.821 2.680 2.994 . 0 0 "[ . 1 . 2]" 1
1111 1 44 VAL H 1 44 VAL MG2 . . 3.810 3.045 2.799 3.293 . 0 0 "[ . 1 . 2]" 1
1112 1 44 VAL HA 1 45 LEU H . . 3.150 2.224 2.150 2.282 . 0 0 "[ . 1 . 2]" 1
1113 1 44 VAL HA 1 45 LEU QB . . 4.690 3.977 3.946 4.031 . 0 0 "[ . 1 . 2]" 1
1114 1 44 VAL HA 1 66 LYS HA . . 3.810 2.637 1.995 2.945 . 0 0 "[ . 1 . 2]" 1
1115 1 44 VAL HA 1 66 LYS QB . . 5.500 4.618 3.718 5.047 . 0 0 "[ . 1 . 2]" 1
1116 1 44 VAL HA 1 67 VAL MG2 . . 3.970 2.572 2.199 3.241 . 0 0 "[ . 1 . 2]" 1
1117 1 44 VAL HB 1 45 LEU H . . 5.140 3.984 3.755 4.215 . 0 0 "[ . 1 . 2]" 1
1118 1 44 VAL MG1 1 45 LEU H . . 3.550 2.125 1.872 2.449 . 0 0 "[ . 1 . 2]" 1
1119 1 44 VAL MG1 1 64 HIS HA . . 4.050 3.458 3.174 3.717 . 0 0 "[ . 1 . 2]" 1
1120 1 44 VAL MG1 1 64 HIS HB2 . . 4.680 4.440 4.170 4.635 . 0 0 "[ . 1 . 2]" 1
1121 1 44 VAL MG1 1 64 HIS HB3 . . 3.970 3.076 2.751 3.287 . 0 0 "[ . 1 . 2]" 1
1122 1 44 VAL MG1 1 65 ILE H . . 4.170 3.020 2.605 3.278 . 0 0 "[ . 1 . 2]" 1
1123 1 44 VAL MG1 1 66 LYS HA . . 4.200 3.048 2.325 3.640 . 0 0 "[ . 1 . 2]" 1
1124 1 44 VAL MG2 1 45 LEU H . . 4.090 3.866 3.632 4.012 . 0 0 "[ . 1 . 2]" 1
1125 1 44 VAL MG2 1 66 LYS HA . . 3.990 2.523 1.967 2.908 . 0 0 "[ . 1 . 2]" 1
1126 1 44 VAL MG2 1 66 LYS HG2 . . 4.700 3.101 2.251 4.601 . 0 0 "[ . 1 . 2]" 1
1127 1 44 VAL MG2 1 66 LYS QG . . 4.130 2.849 2.222 4.146 0.016 20 0 "[ . 1 . 2]" 1
1128 1 44 VAL MG2 1 66 LYS HG3 . . 4.700 3.660 2.775 4.712 0.012 20 0 "[ . 1 . 2]" 1
1129 1 44 VAL MG2 1 67 VAL H . . 5.110 3.150 2.910 3.578 . 0 0 "[ . 1 . 2]" 1
1130 1 45 LEU H 1 45 LEU QB . . 3.200 2.409 2.295 2.495 . 0 0 "[ . 1 . 2]" 1
1131 1 45 LEU H 1 45 LEU MD1 . . 5.010 4.419 4.356 4.513 . 0 0 "[ . 1 . 2]" 1
1132 1 45 LEU H 1 45 LEU MD2 . . 5.210 4.335 4.188 4.494 . 0 0 "[ . 1 . 2]" 1
1133 1 45 LEU H 1 45 LEU HG . . 4.470 4.312 4.231 4.391 . 0 0 "[ . 1 . 2]" 1
1134 1 45 LEU H 1 46 SER H . . 4.750 4.192 3.857 4.413 . 0 0 "[ . 1 . 2]" 1
1135 1 45 LEU H 1 64 HIS HA . . 5.120 4.765 4.504 4.981 . 0 0 "[ . 1 . 2]" 1
1136 1 45 LEU H 1 65 ILE H . . 3.990 3.205 2.850 3.409 . 0 0 "[ . 1 . 2]" 1
1137 1 45 LEU H 1 65 ILE HB . . 3.980 3.480 2.957 3.767 . 0 0 "[ . 1 . 2]" 1
1138 1 45 LEU H 1 65 ILE MG . . 4.580 4.149 3.625 4.457 . 0 0 "[ . 1 . 2]" 1
1139 1 45 LEU H 1 66 LYS HA . . 4.350 3.727 3.121 4.091 . 0 0 "[ . 1 . 2]" 1
1140 1 45 LEU H 1 67 VAL MG2 . . 3.560 2.677 2.380 3.018 . 0 0 "[ . 1 . 2]" 1
1141 1 45 LEU HA 1 45 LEU MD1 . . 3.650 2.333 2.096 2.562 . 0 0 "[ . 1 . 2]" 1
1142 1 45 LEU HA 1 45 LEU MD2 . . 3.970 3.961 3.901 3.999 0.029 10 0 "[ . 1 . 2]" 1
1143 1 45 LEU HA 1 45 LEU HG . . 4.000 3.169 3.056 3.289 . 0 0 "[ . 1 . 2]" 1
1144 1 45 LEU HA 1 46 SER H . . 2.910 2.162 2.139 2.251 . 0 0 "[ . 1 . 2]" 1
1145 1 45 LEU HA 1 46 SER QB . . 4.650 4.477 4.059 4.659 0.009 7 0 "[ . 1 . 2]" 1
1146 1 45 LEU HA 1 47 VAL MG2 . . 4.920 4.711 4.488 4.947 0.027 12 0 "[ . 1 . 2]" 1
1147 1 45 LEU QB 1 46 SER H . . 4.350 3.857 3.607 4.012 . 0 0 "[ . 1 . 2]" 1
1148 1 45 LEU QB 1 47 VAL MG2 . . 4.410 4.252 4.038 4.374 . 0 0 "[ . 1 . 2]" 1
1149 1 45 LEU QB 1 65 ILE H . . 4.450 3.811 3.575 4.026 . 0 0 "[ . 1 . 2]" 1
1150 1 45 LEU QB 1 65 ILE HB . . 3.270 2.667 2.261 3.048 . 0 0 "[ . 1 . 2]" 1
1151 1 45 LEU QB 1 65 ILE MD . . 4.100 3.584 3.077 3.962 . 0 0 "[ . 1 . 2]" 1
1152 1 45 LEU QB 1 67 VAL MG2 . . 3.650 2.345 2.131 2.600 . 0 0 "[ . 1 . 2]" 1
1153 1 45 LEU QB 1 85 LEU MD1 . . 4.850 3.602 3.341 3.899 . 0 0 "[ . 1 . 2]" 1
1154 1 45 LEU QB 1 97 ILE MD . . 4.310 3.926 3.574 4.223 . 0 0 "[ . 1 . 2]" 1
1155 1 45 LEU MD1 1 46 SER H . . 3.830 2.916 1.887 3.710 . 0 0 "[ . 1 . 2]" 1
1156 1 45 LEU MD1 1 46 SER HA . . 5.260 4.593 4.045 4.962 . 0 0 "[ . 1 . 2]" 1
1157 1 45 LEU MD1 1 47 VAL MG2 . . 3.550 2.763 2.506 3.030 . 0 0 "[ . 1 . 2]" 1
1158 1 45 LEU MD1 1 85 LEU MD1 . . 4.640 3.683 3.386 4.001 . 0 0 "[ . 1 . 2]" 1
1159 1 45 LEU MD1 1 89 VAL MG2 . . 3.420 2.385 2.008 2.870 . 0 0 "[ . 1 . 2]" 1
1160 1 45 LEU MD2 1 46 SER H . . 5.370 4.800 4.261 5.169 . 0 0 "[ . 1 . 2]" 1
1161 1 45 LEU MD2 1 47 VAL HB . . 5.500 4.915 4.665 5.203 . 0 0 "[ . 1 . 2]" 1
1162 1 45 LEU MD2 1 65 ILE HB . . 3.870 3.289 2.962 3.605 . 0 0 "[ . 1 . 2]" 1
1163 1 45 LEU MD2 1 85 LEU MD1 . . 5.350 4.362 4.050 4.644 . 0 0 "[ . 1 . 2]" 1
1164 1 45 LEU MD2 1 89 VAL HA . . 4.210 3.681 3.465 3.951 . 0 0 "[ . 1 . 2]" 1
1165 1 45 LEU MD2 1 92 PHE HB2 . . 4.380 4.194 3.932 4.389 0.009 12 0 "[ . 1 . 2]" 1
1166 1 45 LEU MD2 1 92 PHE QD . . 4.750 3.792 3.522 4.221 . 0 0 "[ . 1 . 2]" 1
1167 1 45 LEU MD2 1 97 ILE HG13 . . 4.750 4.203 3.778 4.701 . 0 0 "[ . 1 . 2]" 1
1168 1 45 LEU MD2 1 107 LEU HG . . 5.050 4.207 3.695 4.542 . 0 0 "[ . 1 . 2]" 1
1169 1 45 LEU HG 1 46 SER H . . 4.520 3.459 2.933 3.956 . 0 0 "[ . 1 . 2]" 1
1170 1 45 LEU HG 1 47 VAL H . . 4.820 4.756 4.632 4.822 0.002 2 0 "[ . 1 . 2]" 1
1171 1 45 LEU HG 1 47 VAL HB . . 4.920 4.694 4.428 4.920 0.000 20 0 "[ . 1 . 2]" 1
1172 1 45 LEU HG 1 47 VAL MG2 . . 3.640 2.491 2.343 2.603 . 0 0 "[ . 1 . 2]" 1
1173 1 45 LEU HG 1 65 ILE HB . . 5.370 4.020 3.457 4.452 . 0 0 "[ . 1 . 2]" 1
1174 1 45 LEU HG 1 97 ILE MD . . 5.030 3.902 3.629 4.398 . 0 0 "[ . 1 . 2]" 1
1175 1 45 LEU HG 1 107 LEU MD2 . . 5.230 3.508 2.970 3.866 . 0 0 "[ . 1 . 2]" 1
1176 1 46 SER H 1 46 SER HB2 . . 3.980 2.670 2.431 3.562 . 0 0 "[ . 1 . 2]" 1
1177 1 46 SER H 1 46 SER QB . . 3.270 2.582 2.285 3.082 . 0 0 "[ . 1 . 2]" 1
1178 1 46 SER H 1 46 SER HB3 . . 3.980 3.607 2.777 3.792 . 0 0 "[ . 1 . 2]" 1
1179 1 46 SER H 1 47 VAL MG2 . . 4.560 3.980 3.652 4.231 . 0 0 "[ . 1 . 2]" 1
1180 1 46 SER H 1 67 VAL MG2 . . 5.500 5.471 5.285 5.523 0.023 20 0 "[ . 1 . 2]" 1
1181 1 46 SER HA 1 47 VAL H . . 2.820 2.218 2.172 2.268 . 0 0 "[ . 1 . 2]" 1
1182 1 46 SER HA 1 47 VAL HB . . 4.590 4.474 4.408 4.530 . 0 0 "[ . 1 . 2]" 1
1183 1 46 SER HA 1 47 VAL MG2 . . 4.110 3.616 3.401 3.791 . 0 0 "[ . 1 . 2]" 1
1184 1 46 SER HA 1 62 VAL MG1 . . 4.110 3.671 3.467 3.797 . 0 0 "[ . 1 . 2]" 1
1185 1 46 SER HA 1 63 THR H . . 5.000 4.480 4.067 4.849 . 0 0 "[ . 1 . 2]" 1
1186 1 46 SER HA 1 63 THR MG . . 4.680 4.554 4.361 4.681 0.001 4 0 "[ . 1 . 2]" 1
1187 1 46 SER HA 1 64 HIS HA . . 3.320 2.715 2.549 2.873 . 0 0 "[ . 1 . 2]" 1
1188 1 46 SER HA 1 65 ILE H . . 4.220 3.415 3.155 3.624 . 0 0 "[ . 1 . 2]" 1
1189 1 46 SER HA 1 65 ILE HG13 . . 5.500 4.995 4.685 5.317 . 0 0 "[ . 1 . 2]" 1
1190 1 46 SER QB 1 47 VAL H . . 3.780 2.958 2.728 3.584 . 0 0 "[ . 1 . 2]" 1
1191 1 46 SER QB 1 62 VAL MG1 . . 3.460 2.690 2.379 3.459 . 0 0 "[ . 1 . 2]" 1
1192 1 46 SER QB 1 64 HIS HA . . 4.970 3.909 3.468 4.214 . 0 0 "[ . 1 . 2]" 1
1193 1 46 SER QB 1 64 HIS HE1 . . 5.130 3.748 3.434 4.166 . 0 0 "[ . 1 . 2]" 1
1194 1 46 SER HB2 1 62 VAL MG1 . . 4.270 3.897 3.201 4.113 . 0 0 "[ . 1 . 2]" 1
1195 1 46 SER HB3 1 62 VAL MG1 . . 4.270 2.783 2.407 3.808 . 0 0 "[ . 1 . 2]" 1
1196 1 47 VAL H 1 47 VAL HB . . 3.380 2.829 2.746 2.938 . 0 0 "[ . 1 . 2]" 1
1197 1 47 VAL H 1 47 VAL MG1 . . 4.230 3.904 3.877 3.952 . 0 0 "[ . 1 . 2]" 1
1198 1 47 VAL H 1 47 VAL MG2 . . 3.350 3.077 2.975 3.191 . 0 0 "[ . 1 . 2]" 1
1199 1 47 VAL H 1 62 VAL HA . . 4.820 4.212 3.990 4.367 . 0 0 "[ . 1 . 2]" 1
1200 1 47 VAL H 1 62 VAL MG1 . . 3.450 2.893 2.688 3.132 . 0 0 "[ . 1 . 2]" 1
1201 1 47 VAL H 1 62 VAL MG2 . . 5.500 5.120 4.810 5.340 . 0 0 "[ . 1 . 2]" 1
1202 1 47 VAL H 1 63 THR HA . . 5.280 4.738 4.609 4.875 . 0 0 "[ . 1 . 2]" 1
1203 1 47 VAL H 1 63 THR HB . . 4.060 3.294 3.091 3.547 . 0 0 "[ . 1 . 2]" 1
1204 1 47 VAL H 1 63 THR MG . . 4.630 4.256 4.040 4.432 . 0 0 "[ . 1 . 2]" 1
1205 1 47 VAL H 1 64 HIS HA . . 4.340 4.107 3.984 4.279 . 0 0 "[ . 1 . 2]" 1
1206 1 47 VAL H 1 65 ILE H . . 5.400 5.023 4.684 5.225 . 0 0 "[ . 1 . 2]" 1
1207 1 47 VAL H 1 105 VAL MG1 . . 4.610 4.350 4.187 4.532 . 0 0 "[ . 1 . 2]" 1
1208 1 47 VAL HA 1 47 VAL MG1 . . 3.080 2.350 2.306 2.391 . 0 0 "[ . 1 . 2]" 1
1209 1 47 VAL HA 1 48 LEU HB3 . . 5.500 4.776 4.731 4.805 . 0 0 "[ . 1 . 2]" 1
1210 1 47 VAL HB 1 48 LEU H . . 4.180 4.046 3.900 4.167 . 0 0 "[ . 1 . 2]" 1
1211 1 47 VAL HB 1 48 LEU HA . . 5.500 4.999 4.895 5.101 . 0 0 "[ . 1 . 2]" 1
1212 1 47 VAL HB 1 63 THR H . . 4.410 3.793 3.625 3.979 . 0 0 "[ . 1 . 2]" 1
1213 1 47 VAL HB 1 63 THR HB . . 3.410 2.747 2.580 2.920 . 0 0 "[ . 1 . 2]" 1
1214 1 47 VAL HB 1 105 VAL MG1 . . 3.520 1.993 1.912 2.196 . 0 0 "[ . 1 . 2]" 1
1215 1 47 VAL HB 1 107 LEU MD2 . . 4.710 4.671 4.499 4.718 0.008 12 0 "[ . 1 . 2]" 1
1216 1 47 VAL MG1 1 48 LEU H . . 3.210 2.196 1.955 2.411 . 0 0 "[ . 1 . 2]" 1
1217 1 47 VAL MG1 1 48 LEU HB3 . . 4.350 4.069 3.938 4.182 . 0 0 "[ . 1 . 2]" 1
1218 1 47 VAL MG1 1 49 SER H . . 3.980 3.554 3.417 3.672 . 0 0 "[ . 1 . 2]" 1
1219 1 47 VAL MG1 1 49 SER HA . . 4.170 3.328 3.251 3.397 . 0 0 "[ . 1 . 2]" 1
1220 1 47 VAL MG1 1 49 SER HB2 . . 5.250 5.161 5.048 5.241 . 0 0 "[ . 1 . 2]" 1
1221 1 47 VAL MG1 1 49 SER HB3 . . 4.350 4.079 3.912 4.232 . 0 0 "[ . 1 . 2]" 1
1222 1 47 VAL MG1 1 49 SER HG . . 5.150 5.066 4.975 5.134 . 0 0 "[ . 1 . 2]" 1
1223 1 47 VAL MG1 1 105 VAL HA . . 4.150 3.732 3.579 3.920 . 0 0 "[ . 1 . 2]" 1
1224 1 47 VAL MG1 1 106 TYR H . . 4.270 3.134 3.029 3.238 . 0 0 "[ . 1 . 2]" 1
1225 1 47 VAL MG1 1 106 TYR QD . . 5.500 5.451 5.358 5.502 0.002 19 0 "[ . 1 . 2]" 1
1226 1 47 VAL MG1 1 107 LEU HA . . 4.000 3.415 3.230 3.558 . 0 0 "[ . 1 . 2]" 1
1227 1 47 VAL MG1 1 107 LEU MD1 . . 4.150 3.967 3.788 4.104 . 0 0 "[ . 1 . 2]" 1
1228 1 47 VAL MG1 1 107 LEU HG . . 3.590 2.914 2.774 3.042 . 0 0 "[ . 1 . 2]" 1
1229 1 47 VAL MG2 1 48 LEU H . . 3.940 3.872 3.768 3.939 . 0 0 "[ . 1 . 2]" 1
1230 1 47 VAL MG2 1 63 THR H . . 5.190 4.891 4.772 5.018 . 0 0 "[ . 1 . 2]" 1
1231 1 47 VAL MG2 1 63 THR HB . . 4.130 4.041 3.950 4.127 . 0 0 "[ . 1 . 2]" 1
1232 1 47 VAL MG2 1 107 LEU HA . . 4.710 3.923 3.418 4.145 . 0 0 "[ . 1 . 2]" 1
1233 1 47 VAL MG2 1 107 LEU MD1 . . 3.720 3.462 3.272 3.608 . 0 0 "[ . 1 . 2]" 1
1234 1 47 VAL MG2 1 107 LEU MD2 . . 2.910 2.221 2.081 2.311 . 0 0 "[ . 1 . 2]" 1
1235 1 47 VAL MG2 1 107 LEU HG . . 4.290 2.467 2.242 2.710 . 0 0 "[ . 1 . 2]" 1
1236 1 48 LEU H 1 48 LEU HB2 . . 3.670 2.615 2.521 2.732 . 0 0 "[ . 1 . 2]" 1
1237 1 48 LEU H 1 48 LEU HB3 . . 3.350 2.634 2.590 2.659 . 0 0 "[ . 1 . 2]" 1
1238 1 48 LEU H 1 48 LEU MD2 . . 4.600 4.333 4.284 4.394 . 0 0 "[ . 1 . 2]" 1
1239 1 48 LEU H 1 62 VAL MG2 . . 5.500 5.144 4.624 5.364 . 0 0 "[ . 1 . 2]" 1
1240 1 48 LEU HA 1 48 LEU MD1 . . 3.050 2.078 1.998 2.174 . 0 0 "[ . 1 . 2]" 1
1241 1 48 LEU HA 1 48 LEU MD2 . . 4.030 3.863 3.850 3.879 . 0 0 "[ . 1 . 2]" 1
1242 1 48 LEU HA 1 48 LEU HG . . 3.940 2.949 2.921 2.977 . 0 0 "[ . 1 . 2]" 1
1243 1 48 LEU HA 1 49 SER H . . 2.880 2.203 2.189 2.212 . 0 0 "[ . 1 . 2]" 1
1244 1 48 LEU HA 1 49 SER HB3 . . 5.010 4.833 4.792 4.907 . 0 0 "[ . 1 . 2]" 1
1245 1 48 LEU HA 1 49 SER HG . . 4.930 3.646 3.602 3.677 . 0 0 "[ . 1 . 2]" 1
1246 1 48 LEU HA 1 60 LEU HB2 . . 5.260 4.730 4.558 4.822 . 0 0 "[ . 1 . 2]" 1
1247 1 48 LEU HA 1 61 ARG HA . . 5.500 5.489 5.429 5.509 0.009 14 0 "[ . 1 . 2]" 1
1248 1 48 LEU HA 1 62 VAL HA . . 3.570 2.440 2.355 2.590 . 0 0 "[ . 1 . 2]" 1
1249 1 48 LEU HA 1 62 VAL MG1 . . 4.280 3.451 3.154 3.755 . 0 0 "[ . 1 . 2]" 1
1250 1 48 LEU HA 1 62 VAL MG2 . . 3.370 3.185 2.877 3.376 0.006 14 0 "[ . 1 . 2]" 1
1251 1 48 LEU HA 1 63 THR H . . 4.050 3.609 3.474 3.803 . 0 0 "[ . 1 . 2]" 1
1252 1 48 LEU HB2 1 48 LEU MD1 . . 3.640 2.293 2.241 2.331 . 0 0 "[ . 1 . 2]" 1
1253 1 48 LEU HB2 1 48 LEU MD2 . . 3.310 2.365 2.329 2.478 . 0 0 "[ . 1 . 2]" 1
1254 1 48 LEU HB2 1 60 LEU HB2 . . 5.500 4.726 4.563 4.888 . 0 0 "[ . 1 . 2]" 1
1255 1 48 LEU HB3 1 48 LEU MD2 . . 3.410 2.329 2.169 2.363 . 0 0 "[ . 1 . 2]" 1
1256 1 48 LEU MD1 1 49 SER H . . 3.380 3.369 3.326 3.391 0.011 13 0 "[ . 1 . 2]" 1
1257 1 48 LEU MD1 1 49 SER HG . . 4.400 3.792 3.689 3.907 . 0 0 "[ . 1 . 2]" 1
1258 1 48 LEU MD1 1 59 PRO HB3 . . 5.500 5.291 5.195 5.410 . 0 0 "[ . 1 . 2]" 1
1259 1 48 LEU MD1 1 60 LEU H . . 4.010 3.671 3.425 3.855 . 0 0 "[ . 1 . 2]" 1
1260 1 48 LEU MD1 1 60 LEU HA . . 4.470 4.001 3.881 4.083 . 0 0 "[ . 1 . 2]" 1
1261 1 48 LEU MD1 1 60 LEU HB2 . . 3.160 2.200 1.981 2.339 . 0 0 "[ . 1 . 2]" 1
1262 1 48 LEU MD1 1 60 LEU HB3 . . 3.530 2.758 2.639 2.873 . 0 0 "[ . 1 . 2]" 1
1263 1 48 LEU MD1 1 60 LEU MD1 . . 3.590 3.514 3.384 3.591 0.001 11 0 "[ . 1 . 2]" 1
1264 1 48 LEU MD1 1 61 ARG H . . 4.710 3.836 3.709 3.981 . 0 0 "[ . 1 . 2]" 1
1265 1 48 LEU MD1 1 61 ARG HA . . 5.420 3.782 3.690 3.902 . 0 0 "[ . 1 . 2]" 1
1266 1 48 LEU MD1 1 61 ARG HB2 . . 5.340 5.144 5.065 5.236 . 0 0 "[ . 1 . 2]" 1
1267 1 48 LEU MD1 1 62 VAL H . . 4.730 3.824 3.719 3.946 . 0 0 "[ . 1 . 2]" 1
1268 1 48 LEU MD1 1 62 VAL HA . . 3.840 2.769 2.624 2.861 . 0 0 "[ . 1 . 2]" 1
1269 1 48 LEU MD1 1 62 VAL MG1 . . 4.100 3.297 3.107 3.499 . 0 0 "[ . 1 . 2]" 1
1270 1 48 LEU MD1 1 62 VAL MG2 . . 2.790 1.839 1.746 1.964 . 0 0 "[ . 1 . 2]" 1
1271 1 48 LEU MD1 1 63 THR H . . 4.600 4.507 4.381 4.600 0.000 15 0 "[ . 1 . 2]" 1
1272 1 48 LEU MD2 1 60 LEU HB2 . . 3.650 2.179 2.010 2.456 . 0 0 "[ . 1 . 2]" 1
1273 1 48 LEU MD2 1 60 LEU MD1 . . 3.060 2.137 1.917 2.395 . 0 0 "[ . 1 . 2]" 1
1274 1 48 LEU HG 1 49 SER H . . 3.870 3.831 3.765 3.872 0.002 1 0 "[ . 1 . 2]" 1
1275 1 48 LEU HG 1 49 SER HG . . 4.700 4.335 4.241 4.468 . 0 0 "[ . 1 . 2]" 1
1276 1 48 LEU HG 1 60 LEU HA . . 4.940 4.475 4.394 4.606 . 0 0 "[ . 1 . 2]" 1
1277 1 48 LEU HG 1 60 LEU HB2 . . 3.930 2.135 2.007 2.237 . 0 0 "[ . 1 . 2]" 1
1278 1 48 LEU HG 1 60 LEU HB3 . . 4.090 2.065 1.998 2.201 . 0 0 "[ . 1 . 2]" 1
1279 1 48 LEU HG 1 60 LEU MD1 . . 3.430 2.268 2.101 2.461 . 0 0 "[ . 1 . 2]" 1
1280 1 48 LEU HG 1 60 LEU MD2 . . 4.050 3.840 3.724 3.946 . 0 0 "[ . 1 . 2]" 1
1281 1 49 SER H 1 49 SER HB2 . . 3.830 3.584 3.575 3.590 . 0 0 "[ . 1 . 2]" 1
1282 1 49 SER H 1 49 SER HB3 . . 3.250 2.656 2.622 2.716 . 0 0 "[ . 1 . 2]" 1
1283 1 49 SER H 1 49 SER HG . . 3.030 1.900 1.885 1.929 . 0 0 "[ . 1 . 2]" 1
1284 1 49 SER H 1 50 ASP H . . 4.700 4.639 4.625 4.645 . 0 0 "[ . 1 . 2]" 1
1285 1 49 SER H 1 60 LEU HB2 . . 5.500 5.408 5.276 5.490 . 0 0 "[ . 1 . 2]" 1
1286 1 49 SER H 1 60 LEU MD1 . . 5.020 4.798 4.631 4.908 . 0 0 "[ . 1 . 2]" 1
1287 1 49 SER H 1 61 ARG HB3 . . 4.480 3.929 3.848 4.044 . 0 0 "[ . 1 . 2]" 1
1288 1 49 SER H 1 61 ARG QG . . 5.340 5.128 5.016 5.208 . 0 0 "[ . 1 . 2]" 1
1289 1 49 SER H 1 62 VAL H . . 5.280 5.001 4.915 5.111 . 0 0 "[ . 1 . 2]" 1
1290 1 49 SER H 1 62 VAL HA . . 3.440 3.150 3.019 3.313 . 0 0 "[ . 1 . 2]" 1
1291 1 49 SER H 1 62 VAL MG1 . . 4.980 4.684 4.434 4.914 . 0 0 "[ . 1 . 2]" 1
1292 1 49 SER H 1 62 VAL MG2 . . 4.540 4.470 4.354 4.567 0.027 14 0 "[ . 1 . 2]" 1
1293 1 49 SER H 1 63 THR H . . 4.230 3.681 3.316 4.166 . 0 0 "[ . 1 . 2]" 1
1294 1 49 SER HA 1 50 ASP H . . 3.120 2.312 2.233 2.368 . 0 0 "[ . 1 . 2]" 1
1295 1 49 SER HA 1 50 ASP HA . . 4.920 4.322 4.317 4.330 . 0 0 "[ . 1 . 2]" 1
1296 1 49 SER HA 1 105 VAL HA . . 4.590 4.336 4.082 4.539 . 0 0 "[ . 1 . 2]" 1
1297 1 49 SER HA 1 105 VAL MG1 . . 4.300 4.136 3.953 4.297 . 0 0 "[ . 1 . 2]" 1
1298 1 49 SER HA 1 105 VAL MG2 . . 5.150 4.513 4.294 4.742 . 0 0 "[ . 1 . 2]" 1
1299 1 49 SER HB2 1 50 ASP H . . 3.260 2.664 2.516 2.905 . 0 0 "[ . 1 . 2]" 1
1300 1 49 SER HB2 1 50 ASP HA . . 5.100 4.761 4.679 4.875 . 0 0 "[ . 1 . 2]" 1
1301 1 49 SER HB2 1 50 ASP HB3 . . 5.300 4.648 4.503 5.056 . 0 0 "[ . 1 . 2]" 1
1302 1 49 SER HB2 1 51 GLN H . . 3.350 2.340 2.266 2.396 . 0 0 "[ . 1 . 2]" 1
1303 1 49 SER HB2 1 51 GLN HB2 . . 4.900 3.094 2.911 3.321 . 0 0 "[ . 1 . 2]" 1
1304 1 49 SER HB2 1 51 GLN HB3 . . 5.500 4.779 4.664 4.900 . 0 0 "[ . 1 . 2]" 1
1305 1 49 SER HB2 1 51 GLN HG3 . . 4.780 3.528 3.061 4.535 . 0 0 "[ . 1 . 2]" 1
1306 1 49 SER HB2 1 105 VAL MG2 . . 5.030 4.721 4.589 4.890 . 0 0 "[ . 1 . 2]" 1
1307 1 49 SER HB3 1 50 ASP H . . 4.050 3.804 3.715 3.925 . 0 0 "[ . 1 . 2]" 1
1308 1 49 SER HB3 1 51 GLN H . . 3.910 3.965 3.949 3.975 0.065 12 0 "[ . 1 . 2]" 1
1309 1 49 SER HB3 1 51 GLN HB2 . . 4.900 4.462 4.303 4.604 . 0 0 "[ . 1 . 2]" 1
1310 1 49 SER HB3 1 61 ARG HB2 . . 5.500 5.483 5.414 5.509 0.009 18 0 "[ . 1 . 2]" 1
1311 1 49 SER HB3 1 61 ARG HB3 . . 4.430 3.997 3.917 4.058 . 0 0 "[ . 1 . 2]" 1
1312 1 49 SER HB3 1 103 ALA MB . . 5.500 4.812 4.479 5.050 . 0 0 "[ . 1 . 2]" 1
1313 1 49 SER HB3 1 105 VAL MG2 . . 4.680 3.438 3.268 3.614 . 0 0 "[ . 1 . 2]" 1
1314 1 49 SER HG 1 50 ASP H . . 4.680 4.443 4.386 4.529 . 0 0 "[ . 1 . 2]" 1
1315 1 49 SER HG 1 51 GLN H . . 3.610 3.561 3.459 3.614 0.004 5 0 "[ . 1 . 2]" 1
1316 1 49 SER HG 1 51 GLN HB2 . . 4.310 4.089 3.800 4.294 . 0 0 "[ . 1 . 2]" 1
1317 1 49 SER HG 1 60 LEU MD2 . . 4.340 4.281 4.182 4.342 0.002 3 0 "[ . 1 . 2]" 1
1318 1 49 SER HG 1 61 ARG H . . 3.560 3.084 2.998 3.194 . 0 0 "[ . 1 . 2]" 1
1319 1 49 SER HG 1 61 ARG HA . . 4.560 4.232 4.181 4.282 . 0 0 "[ . 1 . 2]" 1
1320 1 49 SER HG 1 61 ARG HB2 . . 3.930 3.581 3.503 3.694 . 0 0 "[ . 1 . 2]" 1
1321 1 49 SER HG 1 61 ARG HB3 . . 3.520 2.320 2.248 2.412 . 0 0 "[ . 1 . 2]" 1
1322 1 49 SER HG 1 61 ARG HG2 . . 5.090 4.489 4.368 4.638 . 0 0 "[ . 1 . 2]" 1
1323 1 49 SER HG 1 61 ARG QG . . 4.300 4.048 3.925 4.138 . 0 0 "[ . 1 . 2]" 1
1324 1 49 SER HG 1 61 ARG HG3 . . 5.090 4.617 4.428 5.093 0.003 4 0 "[ . 1 . 2]" 1
1325 1 49 SER HG 1 62 VAL H . . 4.950 4.559 4.424 4.678 . 0 0 "[ . 1 . 2]" 1
1326 1 49 SER HG 1 63 THR H . . 5.440 4.762 4.323 5.289 . 0 0 "[ . 1 . 2]" 1
1327 1 49 SER HG 1 105 VAL MG2 . . 5.500 5.369 5.155 5.502 0.002 11 0 "[ . 1 . 2]" 1
1328 1 50 ASP H 1 50 ASP HB3 . . 3.930 2.297 2.187 2.429 . 0 0 "[ . 1 . 2]" 1
1329 1 50 ASP H 1 51 GLN H . . 3.060 2.577 2.512 2.647 . 0 0 "[ . 1 . 2]" 1
1330 1 50 ASP H 1 51 GLN HG3 . . 4.700 3.902 3.504 4.619 . 0 0 "[ . 1 . 2]" 1
1331 1 50 ASP H 1 60 LEU MD1 . . 5.280 4.454 4.146 4.663 . 0 0 "[ . 1 . 2]" 1
1332 1 50 ASP HA 1 60 LEU MD1 . . 3.340 2.429 2.089 2.662 . 0 0 "[ . 1 . 2]" 1
1333 1 50 ASP HA 1 60 LEU MD2 . . 3.050 2.384 2.257 2.634 . 0 0 "[ . 1 . 2]" 1
1334 1 50 ASP HB2 1 51 GLN H . . 4.820 4.472 4.410 4.515 . 0 0 "[ . 1 . 2]" 1
1335 1 50 ASP HB2 1 60 LEU MD1 . . 4.630 4.040 3.650 4.238 . 0 0 "[ . 1 . 2]" 1
1336 1 50 ASP HB2 1 60 LEU MD2 . . 4.490 4.224 3.823 4.495 0.005 9 0 "[ . 1 . 2]" 1
1337 1 50 ASP HB3 1 51 GLN H . . 4.060 3.718 3.594 4.098 0.038 5 0 "[ . 1 . 2]" 1
1338 1 50 ASP HB3 1 60 LEU MD2 . . 4.830 4.562 4.430 4.739 . 0 0 "[ . 1 . 2]" 1
1339 1 51 GLN H 1 51 GLN HB2 . . 3.100 2.437 2.307 2.557 . 0 0 "[ . 1 . 2]" 1
1340 1 51 GLN H 1 51 GLN HB3 . . 3.720 3.625 3.573 3.673 . 0 0 "[ . 1 . 2]" 1
1341 1 51 GLN H 1 51 GLN QE . . 5.060 3.752 2.390 4.955 . 0 0 "[ . 1 . 2]" 1
1342 1 51 GLN H 1 51 GLN HG2 . . 4.100 3.900 3.749 4.084 . 0 0 "[ . 1 . 2]" 1
1343 1 51 GLN H 1 51 GLN HG3 . . 3.520 2.652 2.319 3.273 . 0 0 "[ . 1 . 2]" 1
1344 1 51 GLN H 1 52 PRO HD2 . . 4.790 4.751 4.702 4.819 0.029 9 0 "[ . 1 . 2]" 1
1345 1 51 GLN H 1 60 LEU MD2 . . 3.350 3.072 2.941 3.236 . 0 0 "[ . 1 . 2]" 1
1346 1 51 GLN H 1 61 ARG H . . 4.490 4.191 4.015 4.350 . 0 0 "[ . 1 . 2]" 1
1347 1 51 GLN HB2 1 61 ARG H . . 4.640 4.297 3.989 4.552 . 0 0 "[ . 1 . 2]" 1
1348 1 51 GLN HB2 1 61 ARG HD3 . . 5.500 5.376 4.551 5.501 0.001 16 0 "[ . 1 . 2]" 1
1349 1 51 GLN HB3 1 51 GLN HG2 . . 2.960 2.354 2.267 2.515 . 0 0 "[ . 1 . 2]" 1
1350 1 51 GLN HB3 1 52 PRO HD2 . . 4.050 3.285 2.889 3.432 . 0 0 "[ . 1 . 2]" 1
1351 1 51 GLN QE 1 51 GLN HG3 . . 3.260 2.198 2.103 2.461 . 0 0 "[ . 1 . 2]" 1
1352 1 51 GLN HE22 1 51 GLN HG3 . . 4.000 3.479 3.438 3.595 . 0 0 "[ . 1 . 2]" 1
1353 1 51 GLN HG2 1 52 PRO HD2 . . 4.550 3.870 3.463 4.547 . 0 0 "[ . 1 . 2]" 1
1354 1 51 GLN HG3 1 52 PRO HD2 . . 4.790 4.591 3.881 4.759 . 0 0 "[ . 1 . 2]" 1
1355 1 51 GLN HG3 1 52 PRO HD3 . . 5.480 5.106 4.575 5.339 . 0 0 "[ . 1 . 2]" 1
1356 1 52 PRO HA 1 53 LYS H . . 2.780 2.240 2.198 2.307 . 0 0 "[ . 1 . 2]" 1
1357 1 52 PRO HA 1 53 LYS HA . . 4.350 4.325 4.316 4.335 . 0 0 "[ . 1 . 2]" 1
1358 1 52 PRO HA 1 53 LYS HB2 . . 4.790 4.505 4.395 4.630 . 0 0 "[ . 1 . 2]" 1
1359 1 52 PRO HA 1 53 LYS QG . . 4.730 4.217 3.950 4.433 . 0 0 "[ . 1 . 2]" 1
1360 1 52 PRO HA 1 54 ALA H . . 4.560 4.376 4.186 4.557 . 0 0 "[ . 1 . 2]" 1
1361 1 52 PRO HA 1 60 LEU HA . . 3.050 2.090 1.991 2.178 . 0 0 "[ . 1 . 2]" 1
1362 1 52 PRO HA 1 60 LEU HB2 . . 5.500 4.995 4.901 5.079 . 0 0 "[ . 1 . 2]" 1
1363 1 52 PRO HA 1 60 LEU HB3 . . 4.560 4.399 4.275 4.489 . 0 0 "[ . 1 . 2]" 1
1364 1 52 PRO HA 1 60 LEU MD2 . . 3.240 2.202 2.105 2.281 . 0 0 "[ . 1 . 2]" 1
1365 1 52 PRO HA 1 61 ARG H . . 3.430 3.296 3.239 3.333 . 0 0 "[ . 1 . 2]" 1
1366 1 52 PRO HA 1 61 ARG HA . . 5.500 5.417 5.332 5.507 0.007 15 0 "[ . 1 . 2]" 1
1367 1 52 PRO HA 1 61 ARG HB2 . . 5.300 4.534 4.482 4.605 . 0 0 "[ . 1 . 2]" 1
1368 1 52 PRO HB2 1 53 LYS H . . 3.300 3.079 2.864 3.242 . 0 0 "[ . 1 . 2]" 1
1369 1 52 PRO HB2 1 54 ALA H . . 3.320 2.986 2.728 3.263 . 0 0 "[ . 1 . 2]" 1
1370 1 52 PRO HB2 1 58 SER H . . 4.340 3.911 3.732 4.089 . 0 0 "[ . 1 . 2]" 1
1371 1 52 PRO HB2 1 58 SER HB3 . . 4.900 4.264 3.859 4.653 . 0 0 "[ . 1 . 2]" 1
1372 1 52 PRO HB2 1 58 SER HG . . 4.140 2.229 2.069 2.414 . 0 0 "[ . 1 . 2]" 1
1373 1 52 PRO HB2 1 60 LEU HA . . 4.750 4.679 4.573 4.748 . 0 0 "[ . 1 . 2]" 1
1374 1 52 PRO HB2 1 60 LEU MD2 . . 4.400 4.046 3.926 4.135 . 0 0 "[ . 1 . 2]" 1
1375 1 52 PRO HB3 1 53 LYS H . . 3.860 3.712 3.587 3.811 . 0 0 "[ . 1 . 2]" 1
1376 1 52 PRO HB3 1 54 ALA H . . 4.890 4.556 4.324 4.780 . 0 0 "[ . 1 . 2]" 1
1377 1 52 PRO HB3 1 58 SER H . . 4.690 4.344 4.140 4.621 . 0 0 "[ . 1 . 2]" 1
1378 1 52 PRO HB3 1 58 SER HG . . 4.080 3.000 2.710 3.230 . 0 0 "[ . 1 . 2]" 1
1379 1 52 PRO HB3 1 60 LEU HA . . 4.020 3.889 3.798 4.025 0.005 14 0 "[ . 1 . 2]" 1
1380 1 52 PRO HB3 1 60 LEU MD2 . . 3.840 2.780 2.617 2.899 . 0 0 "[ . 1 . 2]" 1
1381 1 52 PRO HB3 1 61 ARG H . . 5.500 5.495 5.417 5.515 0.015 14 0 "[ . 1 . 2]" 1
1382 1 52 PRO HD2 1 60 LEU MD2 . . 4.010 3.989 3.889 4.014 0.004 7 0 "[ . 1 . 2]" 1
1383 1 52 PRO HD3 1 60 LEU MD2 . . 3.600 2.862 2.741 2.937 . 0 0 "[ . 1 . 2]" 1
1384 1 52 PRO HG2 1 60 LEU MD2 . . 4.670 4.588 4.497 4.653 . 0 0 "[ . 1 . 2]" 1
1385 1 52 PRO HG3 1 60 LEU MD2 . . 4.150 4.027 3.860 4.158 0.008 9 0 "[ . 1 . 2]" 1
1386 1 53 LYS H 1 53 LYS HB2 . . 3.530 2.288 2.165 2.431 . 0 0 "[ . 1 . 2]" 1
1387 1 53 LYS H 1 53 LYS HB3 . . 3.780 3.542 3.475 3.584 . 0 0 "[ . 1 . 2]" 1
1388 1 53 LYS H 1 53 LYS QD . . 4.810 4.095 3.809 4.415 . 0 0 "[ . 1 . 2]" 1
1389 1 53 LYS H 1 53 LYS QG . . 3.320 2.603 2.290 2.956 . 0 0 "[ . 1 . 2]" 1
1390 1 53 LYS H 1 54 ALA H . . 3.220 2.830 2.594 2.984 . 0 0 "[ . 1 . 2]" 1
1391 1 53 LYS H 1 54 ALA MB . . 4.840 4.718 4.552 4.826 . 0 0 "[ . 1 . 2]" 1
1392 1 53 LYS H 1 58 SER HB3 . . 4.860 4.320 4.065 4.526 . 0 0 "[ . 1 . 2]" 1
1393 1 53 LYS H 1 58 SER HG . . 4.450 2.827 2.191 3.464 . 0 0 "[ . 1 . 2]" 1
1394 1 53 LYS H 1 59 PRO HD2 . . 5.020 4.382 4.093 4.570 . 0 0 "[ . 1 . 2]" 1
1395 1 53 LYS H 1 59 PRO QG . . 4.880 4.596 4.405 4.767 . 0 0 "[ . 1 . 2]" 1
1396 1 53 LYS H 1 60 LEU HA . . 3.570 3.263 3.116 3.466 . 0 0 "[ . 1 . 2]" 1
1397 1 53 LYS H 1 60 LEU MD2 . . 4.190 4.106 3.975 4.171 . 0 0 "[ . 1 . 2]" 1
1398 1 53 LYS H 1 61 ARG H . . 4.130 4.013 3.795 4.144 0.014 14 0 "[ . 1 . 2]" 1
1399 1 53 LYS HA 1 53 LYS QD . . 4.580 4.073 4.002 4.149 . 0 0 "[ . 1 . 2]" 1
1400 1 53 LYS HA 1 53 LYS QE . . 4.760 3.722 3.326 4.172 . 0 0 "[ . 1 . 2]" 1
1401 1 53 LYS HA 1 53 LYS QG . . 3.010 2.236 2.125 2.356 . 0 0 "[ . 1 . 2]" 1
1402 1 53 LYS HA 1 54 ALA HA . . 4.820 4.547 4.535 4.559 . 0 0 "[ . 1 . 2]" 1
1403 1 53 LYS HA 1 54 ALA MB . . 5.030 4.777 4.628 4.857 . 0 0 "[ . 1 . 2]" 1
1404 1 53 LYS HA 1 60 LEU HA . . 5.500 5.287 5.092 5.500 . 0 0 "[ . 1 . 2]" 1
1405 1 53 LYS HA 1 61 ARG H . . 5.010 4.789 4.478 5.007 . 0 0 "[ . 1 . 2]" 1
1406 1 53 LYS HA 1 61 ARG HD2 . . 4.360 3.535 2.974 4.104 . 0 0 "[ . 1 . 2]" 1
1407 1 53 LYS HA 1 61 ARG HD3 . . 4.270 3.057 2.472 3.998 . 0 0 "[ . 1 . 2]" 1
1408 1 53 LYS HB2 1 53 LYS QE . . 3.930 3.591 3.330 3.893 . 0 0 "[ . 1 . 2]" 1
1409 1 53 LYS HB2 1 54 ALA H . . 4.070 2.579 2.308 2.784 . 0 0 "[ . 1 . 2]" 1
1410 1 53 LYS HB2 1 54 ALA MB . . 4.300 3.707 3.503 3.922 . 0 0 "[ . 1 . 2]" 1
1411 1 53 LYS HB2 1 58 SER HB2 . . 4.590 2.151 1.996 2.456 . 0 0 "[ . 1 . 2]" 1
1412 1 53 LYS HB2 1 58 SER HB3 . . 4.630 3.488 3.220 3.712 . 0 0 "[ . 1 . 2]" 1
1413 1 53 LYS HB3 1 53 LYS QE . . 4.010 2.411 2.238 2.828 . 0 0 "[ . 1 . 2]" 1
1414 1 53 LYS HB3 1 54 ALA H . . 3.630 3.203 2.987 3.424 . 0 0 "[ . 1 . 2]" 1
1415 1 53 LYS HB3 1 54 ALA MB . . 4.300 3.632 3.438 3.833 . 0 0 "[ . 1 . 2]" 1
1416 1 53 LYS HB3 1 58 SER HB2 . . 4.540 3.467 3.191 3.732 . 0 0 "[ . 1 . 2]" 1
1417 1 53 LYS HB3 1 58 SER HB3 . . 5.420 4.535 4.247 4.747 . 0 0 "[ . 1 . 2]" 1
1418 1 53 LYS HB3 1 59 PRO HD2 . . 4.650 4.295 3.801 4.610 . 0 0 "[ . 1 . 2]" 1
1419 1 53 LYS QD 1 58 SER HB2 . . 4.820 3.543 2.993 4.154 . 0 0 "[ . 1 . 2]" 1
1420 1 53 LYS QD 1 59 PRO HB3 . . 5.380 4.967 4.617 5.267 . 0 0 "[ . 1 . 2]" 1
1421 1 53 LYS QD 1 59 PRO HD2 . . 3.480 3.020 2.475 3.368 . 0 0 "[ . 1 . 2]" 1
1422 1 53 LYS QD 1 59 PRO HD3 . . 4.720 4.394 3.928 4.651 . 0 0 "[ . 1 . 2]" 1
1423 1 53 LYS QD 1 59 PRO QG . . 3.240 2.344 2.017 2.623 . 0 0 "[ . 1 . 2]" 1
1424 1 53 LYS QD 1 61 ARG HA . . 4.950 4.091 3.566 4.523 . 0 0 "[ . 1 . 2]" 1
1425 1 53 LYS QE 1 53 LYS QG . . 3.000 2.194 2.114 2.293 . 0 0 "[ . 1 . 2]" 1
1426 1 53 LYS QE 1 54 ALA H . . 5.500 5.331 5.071 5.505 0.005 2 0 "[ . 1 . 2]" 1
1427 1 53 LYS QE 1 59 PRO HD2 . . 5.470 5.011 4.497 5.353 . 0 0 "[ . 1 . 2]" 1
1428 1 53 LYS QE 1 59 PRO QG . . 4.840 4.255 3.668 4.582 . 0 0 "[ . 1 . 2]" 1
1429 1 53 LYS QE 1 61 ARG HA . . 4.990 4.819 4.565 4.988 . 0 0 "[ . 1 . 2]" 1
1430 1 53 LYS QG 1 54 ALA H . . 4.310 4.216 4.052 4.331 0.021 14 0 "[ . 1 . 2]" 1
1431 1 53 LYS QG 1 58 SER HB2 . . 4.640 3.964 3.750 4.234 . 0 0 "[ . 1 . 2]" 1
1432 1 53 LYS QG 1 58 SER HB3 . . 5.500 5.312 4.980 5.517 0.017 14 0 "[ . 1 . 2]" 1
1433 1 53 LYS QG 1 59 PRO HD2 . . 4.330 3.940 3.585 4.334 0.004 17 0 "[ . 1 . 2]" 1
1434 1 53 LYS QG 1 59 PRO QG . . 4.370 3.120 2.757 3.606 . 0 0 "[ . 1 . 2]" 1
1435 1 53 LYS QG 1 60 LEU HA . . 4.510 4.116 3.782 4.290 . 0 0 "[ . 1 . 2]" 1
1436 1 53 LYS QG 1 61 ARG HD2 . . 3.600 2.287 1.968 3.302 . 0 0 "[ . 1 . 2]" 1
1437 1 54 ALA H 1 54 ALA MB . . 3.050 2.370 2.280 2.496 . 0 0 "[ . 1 . 2]" 1
1438 1 54 ALA H 1 55 GLY H . . 4.600 2.318 2.009 3.720 . 0 0 "[ . 1 . 2]" 1
1439 1 54 ALA H 1 58 SER H . . 4.180 4.160 4.044 4.242 0.062 14 0 "[ . 1 . 2]" 1
1440 1 54 ALA H 1 58 SER HB2 . . 3.410 2.767 2.166 3.007 . 0 0 "[ . 1 . 2]" 1
1441 1 54 ALA H 1 58 SER HB3 . . 3.490 2.642 2.303 2.881 . 0 0 "[ . 1 . 2]" 1
1442 1 54 ALA H 1 58 SER HG . . 3.210 2.516 2.106 2.723 . 0 0 "[ . 1 . 2]" 1
1443 1 54 ALA H 1 59 PRO HD2 . . 4.780 4.641 4.247 4.787 0.007 9 0 "[ . 1 . 2]" 1
1444 1 54 ALA MB 1 55 GLY H . . 4.240 2.489 2.074 3.582 . 0 0 "[ . 1 . 2]" 1
1445 1 54 ALA MB 1 55 GLY HA2 . . 4.960 4.298 4.033 4.970 0.010 10 0 "[ . 1 . 2]" 1
1446 1 54 ALA MB 1 55 GLY QA . . 4.330 3.489 3.307 3.983 . 0 0 "[ . 1 . 2]" 1
1447 1 54 ALA MB 1 55 GLY HA3 . . 4.960 3.692 3.513 4.192 . 0 0 "[ . 1 . 2]" 1
1448 1 54 ALA MB 1 58 SER H . . 4.740 4.215 4.100 4.484 . 0 0 "[ . 1 . 2]" 1
1449 1 54 ALA MB 1 58 SER HB2 . . 3.390 3.185 2.936 3.393 0.003 17 0 "[ . 1 . 2]" 1
1450 1 54 ALA MB 1 58 SER HB3 . . 3.460 2.431 2.058 2.746 . 0 0 "[ . 1 . 2]" 1
1451 1 54 ALA MB 1 58 SER HG . . 4.260 3.857 3.564 4.216 . 0 0 "[ . 1 . 2]" 1
1452 1 54 ALA MB 1 59 PRO HD2 . . 5.060 4.783 4.321 5.043 . 0 0 "[ . 1 . 2]" 1
1453 1 55 GLY QA 1 56 PRO QD . . 2.880 1.893 1.847 2.354 . 0 0 "[ . 1 . 2]" 1
1454 1 55 GLY QA 1 56 PRO QG . . 4.040 3.671 3.642 4.119 0.079 14 0 "[ . 1 . 2]" 1
1455 1 56 PRO HA 1 58 SER H . . 4.230 4.140 3.910 4.241 0.011 14 0 "[ . 1 . 2]" 1
1456 1 58 SER H 1 58 SER HB2 . . 3.680 3.595 3.532 3.631 . 0 0 "[ . 1 . 2]" 1
1457 1 58 SER H 1 58 SER HB3 . . 3.050 2.514 2.244 2.776 . 0 0 "[ . 1 . 2]" 1
1458 1 58 SER H 1 58 SER HG . . 2.940 2.351 1.899 2.809 . 0 0 "[ . 1 . 2]" 1
1459 1 58 SER H 1 59 PRO HD2 . . 4.990 4.780 4.764 4.806 . 0 0 "[ . 1 . 2]" 1
1460 1 58 SER HB2 1 59 PRO HD2 . . 3.170 2.005 1.990 2.153 . 0 0 "[ . 1 . 2]" 1
1461 1 58 SER HB2 1 59 PRO HD3 . . 3.580 3.421 3.351 3.584 0.004 14 0 "[ . 1 . 2]" 1
1462 1 58 SER HB2 1 59 PRO QG . . 4.300 3.721 3.617 3.829 . 0 0 "[ . 1 . 2]" 1
1463 1 58 SER HB3 1 59 PRO HD2 . . 3.790 3.458 3.216 3.637 . 0 0 "[ . 1 . 2]" 1
1464 1 58 SER HB3 1 59 PRO QG . . 5.310 5.167 4.970 5.306 . 0 0 "[ . 1 . 2]" 1
1465 1 58 SER HG 1 59 PRO HD2 . . 4.930 4.191 3.828 4.444 . 0 0 "[ . 1 . 2]" 1
1466 1 59 PRO HA 1 60 LEU H . . 2.760 2.163 2.152 2.195 . 0 0 "[ . 1 . 2]" 1
1467 1 59 PRO HA 1 60 LEU HG . . 4.440 4.315 4.123 4.442 0.002 14 0 "[ . 1 . 2]" 1
1468 1 59 PRO HB3 1 60 LEU H . . 4.190 4.158 3.824 4.215 0.025 14 0 "[ . 1 . 2]" 1
1469 1 59 PRO QG 1 60 LEU H . . 4.940 4.722 4.545 4.742 . 0 0 "[ . 1 . 2]" 1
1470 1 60 LEU H 1 60 LEU HB2 . . 3.580 2.475 2.349 2.550 . 0 0 "[ . 1 . 2]" 1
1471 1 60 LEU H 1 60 LEU HB3 . . 3.830 3.605 3.565 3.619 . 0 0 "[ . 1 . 2]" 1
1472 1 60 LEU H 1 60 LEU MD1 . . 3.880 3.687 3.585 3.817 . 0 0 "[ . 1 . 2]" 1
1473 1 60 LEU H 1 60 LEU MD2 . . 4.260 3.338 3.172 3.530 . 0 0 "[ . 1 . 2]" 1
1474 1 60 LEU H 1 60 LEU HG . . 2.710 2.373 2.255 2.510 . 0 0 "[ . 1 . 2]" 1
1475 1 60 LEU H 1 61 ARG H . . 5.230 4.628 4.615 4.640 . 0 0 "[ . 1 . 2]" 1
1476 1 60 LEU HA 1 60 LEU MD1 . . 4.000 3.830 3.782 3.861 . 0 0 "[ . 1 . 2]" 1
1477 1 60 LEU HA 1 60 LEU MD2 . . 2.860 1.992 1.950 2.072 . 0 0 "[ . 1 . 2]" 1
1478 1 60 LEU HA 1 60 LEU HG . . 3.610 2.982 2.927 3.081 . 0 0 "[ . 1 . 2]" 1
1479 1 60 LEU HA 1 61 ARG H . . 2.860 2.258 2.217 2.302 . 0 0 "[ . 1 . 2]" 1
1480 1 60 LEU HA 1 61 ARG HA . . 4.400 4.321 4.316 4.326 . 0 0 "[ . 1 . 2]" 1
1481 1 60 LEU HA 1 61 ARG HB2 . . 4.640 4.269 4.253 4.312 . 0 0 "[ . 1 . 2]" 1
1482 1 60 LEU HB2 1 60 LEU MD1 . . 3.400 2.368 2.246 2.455 . 0 0 "[ . 1 . 2]" 1
1483 1 60 LEU HB2 1 61 ARG H . . 4.360 4.026 3.933 4.110 . 0 0 "[ . 1 . 2]" 1
1484 1 60 LEU HB2 1 62 VAL MG2 . . 4.840 4.546 4.435 4.705 . 0 0 "[ . 1 . 2]" 1
1485 1 60 LEU HB3 1 60 LEU MD1 . . 3.300 2.312 2.183 2.400 . 0 0 "[ . 1 . 2]" 1
1486 1 60 LEU HB3 1 60 LEU MD2 . . 3.210 2.347 2.305 2.413 . 0 0 "[ . 1 . 2]" 1
1487 1 60 LEU HB3 1 61 ARG H . . 3.650 2.819 2.683 2.951 . 0 0 "[ . 1 . 2]" 1
1488 1 60 LEU MD1 1 61 ARG H . . 4.990 4.595 4.461 4.745 . 0 0 "[ . 1 . 2]" 1
1489 1 60 LEU MD2 1 61 ARG H . . 3.530 3.114 2.963 3.246 . 0 0 "[ . 1 . 2]" 1
1490 1 61 ARG H 1 61 ARG HB2 . . 3.140 2.262 2.208 2.334 . 0 0 "[ . 1 . 2]" 1
1491 1 61 ARG H 1 61 ARG HB3 . . 3.150 2.853 2.760 2.901 . 0 0 "[ . 1 . 2]" 1
1492 1 61 ARG H 1 61 ARG HD3 . . 4.760 4.351 3.795 4.657 . 0 0 "[ . 1 . 2]" 1
1493 1 61 ARG H 1 61 ARG HG2 . . 4.640 4.641 4.607 4.658 0.018 7 0 "[ . 1 . 2]" 1
1494 1 61 ARG H 1 61 ARG HG3 . . 4.640 4.432 4.246 4.487 . 0 0 "[ . 1 . 2]" 1
1495 1 61 ARG H 1 62 VAL H . . 4.840 4.621 4.610 4.631 . 0 0 "[ . 1 . 2]" 1
1496 1 61 ARG HA 1 61 ARG HD2 . . 4.050 2.700 2.183 4.186 0.136 17 0 "[ . 1 . 2]" 1
1497 1 61 ARG HA 1 61 ARG HD3 . . 4.640 3.536 2.545 4.344 . 0 0 "[ . 1 . 2]" 1
1498 1 61 ARG HA 1 61 ARG HG2 . . 3.730 3.598 3.180 3.674 . 0 0 "[ . 1 . 2]" 1
1499 1 61 ARG HA 1 61 ARG HG3 . . 3.730 2.433 2.164 2.553 . 0 0 "[ . 1 . 2]" 1
1500 1 61 ARG HA 1 62 VAL H . . 2.790 2.260 2.234 2.312 . 0 0 "[ . 1 . 2]" 1
1501 1 61 ARG HA 1 62 VAL HA . . 4.890 4.394 4.383 4.409 . 0 0 "[ . 1 . 2]" 1
1502 1 61 ARG HA 1 62 VAL MG2 . . 4.030 3.440 3.304 3.558 . 0 0 "[ . 1 . 2]" 1
1503 1 61 ARG HB2 1 61 ARG HD2 . . 4.120 2.857 2.514 3.564 . 0 0 "[ . 1 . 2]" 1
1504 1 61 ARG HB2 1 61 ARG HD3 . . 3.350 2.333 2.028 2.560 . 0 0 "[ . 1 . 2]" 1
1505 1 61 ARG HB2 1 62 VAL H . . 4.370 4.183 4.108 4.229 . 0 0 "[ . 1 . 2]" 1
1506 1 61 ARG HB3 1 61 ARG HD2 . . 4.160 3.812 3.641 4.203 0.043 11 0 "[ . 1 . 2]" 1
1507 1 61 ARG HB3 1 61 ARG HD3 . . 3.660 3.470 2.710 3.626 . 0 0 "[ . 1 . 2]" 1
1508 1 61 ARG HB3 1 62 VAL H . . 4.550 3.573 3.450 3.653 . 0 0 "[ . 1 . 2]" 1
1509 1 61 ARG HD3 1 62 VAL H . . 5.170 4.795 4.098 5.153 . 0 0 "[ . 1 . 2]" 1
1510 1 61 ARG QG 1 62 VAL H . . 3.300 2.191 2.000 2.480 . 0 0 "[ . 1 . 2]" 1
1511 1 61 ARG QG 1 62 VAL MG2 . . 5.220 4.301 4.062 4.486 . 0 0 "[ . 1 . 2]" 1
1512 1 61 ARG HG2 1 62 VAL H . . 3.950 3.719 2.855 3.901 . 0 0 "[ . 1 . 2]" 1
1513 1 61 ARG HG3 1 62 VAL H . . 3.950 2.223 2.010 2.723 . 0 0 "[ . 1 . 2]" 1
1514 1 62 VAL H 1 62 VAL HB . . 3.110 2.675 2.597 2.791 . 0 0 "[ . 1 . 2]" 1
1515 1 62 VAL H 1 62 VAL MG1 . . 4.060 3.862 3.822 3.898 . 0 0 "[ . 1 . 2]" 1
1516 1 62 VAL H 1 62 VAL MG2 . . 3.380 2.644 2.461 2.819 . 0 0 "[ . 1 . 2]" 1
1517 1 62 VAL HA 1 62 VAL MG1 . . 3.380 2.276 2.132 2.383 . 0 0 "[ . 1 . 2]" 1
1518 1 62 VAL HA 1 62 VAL MG2 . . 3.160 2.396 2.312 2.476 . 0 0 "[ . 1 . 2]" 1
1519 1 62 VAL HA 1 63 THR H . . 2.830 2.176 2.140 2.303 . 0 0 "[ . 1 . 2]" 1
1520 1 62 VAL MG1 1 63 THR H . . 3.340 2.516 2.022 3.033 . 0 0 "[ . 1 . 2]" 1
1521 1 62 VAL MG1 1 63 THR HB . . 4.570 4.446 4.158 4.572 0.002 17 0 "[ . 1 . 2]" 1
1522 1 62 VAL MG1 1 64 HIS H . . 4.850 4.032 3.554 4.633 . 0 0 "[ . 1 . 2]" 1
1523 1 62 VAL MG1 1 64 HIS HA . . 4.690 4.014 3.796 4.370 . 0 0 "[ . 1 . 2]" 1
1524 1 62 VAL MG1 1 64 HIS HD2 . . 4.890 4.021 3.597 4.505 . 0 0 "[ . 1 . 2]" 1
1525 1 62 VAL MG1 1 64 HIS HE1 . . 3.620 2.350 1.928 2.766 . 0 0 "[ . 1 . 2]" 1
1526 1 62 VAL MG2 1 63 THR H . . 4.260 4.082 3.863 4.210 . 0 0 "[ . 1 . 2]" 1
1527 1 63 THR H 1 63 THR HB . . 3.130 2.553 2.450 2.716 . 0 0 "[ . 1 . 2]" 1
1528 1 63 THR H 1 63 THR MG . . 3.950 3.811 3.751 3.890 . 0 0 "[ . 1 . 2]" 1
1529 1 63 THR HA 1 63 THR MG . . 3.250 2.436 2.344 2.476 . 0 0 "[ . 1 . 2]" 1
1530 1 63 THR HA 1 64 HIS H . . 3.450 2.153 2.141 2.173 . 0 0 "[ . 1 . 2]" 1
1531 1 63 THR HA 1 64 HIS HA . . 4.810 4.405 4.389 4.425 . 0 0 "[ . 1 . 2]" 1
1532 1 63 THR HA 1 64 HIS HB2 . . 4.810 4.735 4.579 4.802 . 0 0 "[ . 1 . 2]" 1
1533 1 63 THR HA 1 64 HIS HD2 . . 4.760 4.358 3.614 4.759 . 0 0 "[ . 1 . 2]" 1
1534 1 63 THR HA 1 65 ILE MD . . 5.260 5.087 4.800 5.263 0.003 3 0 "[ . 1 . 2]" 1
1535 1 63 THR HB 1 64 HIS H . . 4.530 4.350 4.199 4.469 . 0 0 "[ . 1 . 2]" 1
1536 1 63 THR HB 1 65 ILE MD . . 4.160 3.593 3.278 3.830 . 0 0 "[ . 1 . 2]" 1
1537 1 63 THR HB 1 65 ILE HG13 . . 4.570 4.283 3.922 4.491 . 0 0 "[ . 1 . 2]" 1
1538 1 63 THR HB 1 105 VAL MG2 . . 3.580 2.460 2.217 2.761 . 0 0 "[ . 1 . 2]" 1
1539 1 63 THR MG 1 64 HIS HA . . 4.340 3.826 3.630 4.034 . 0 0 "[ . 1 . 2]" 1
1540 1 63 THR MG 1 65 ILE H . . 4.730 3.805 3.502 4.131 . 0 0 "[ . 1 . 2]" 1
1541 1 63 THR MG 1 65 ILE HG12 . . 3.690 3.042 2.830 3.205 . 0 0 "[ . 1 . 2]" 1
1542 1 63 THR MG 1 65 ILE HG13 . . 3.190 2.046 1.955 2.233 . 0 0 "[ . 1 . 2]" 1
1543 1 63 THR MG 1 99 GLU HG2 . . 4.750 3.074 2.493 3.763 . 0 0 "[ . 1 . 2]" 1
1544 1 63 THR MG 1 99 GLU QG . . 4.000 2.804 2.420 3.235 . 0 0 "[ . 1 . 2]" 1
1545 1 63 THR MG 1 99 GLU HG3 . . 4.750 3.383 2.735 4.078 . 0 0 "[ . 1 . 2]" 1
1546 1 63 THR MG 2 9 SER QB . . 3.570 2.028 1.907 2.529 . 0 0 "[ . 1 . 2]" 1
1547 1 64 HIS H 1 64 HIS HD2 . . 4.490 3.062 2.560 3.383 . 0 0 "[ . 1 . 2]" 1
1548 1 64 HIS H 1 65 ILE HG13 . . 4.970 4.163 3.985 4.389 . 0 0 "[ . 1 . 2]" 1
1549 1 64 HIS HA 1 64 HIS HD2 . . 4.890 4.560 4.288 4.708 . 0 0 "[ . 1 . 2]" 1
1550 1 64 HIS HA 1 65 ILE H . . 3.050 2.148 2.140 2.166 . 0 0 "[ . 1 . 2]" 1
1551 1 64 HIS HA 1 65 ILE HA . . 4.930 4.396 4.391 4.409 . 0 0 "[ . 1 . 2]" 1
1552 1 64 HIS HA 1 65 ILE HB . . 4.860 4.676 4.573 4.750 . 0 0 "[ . 1 . 2]" 1
1553 1 64 HIS HA 1 65 ILE MD . . 4.790 4.685 4.489 4.800 0.010 20 0 "[ . 1 . 2]" 1
1554 1 64 HIS HA 1 65 ILE HG13 . . 4.440 3.865 3.540 4.087 . 0 0 "[ . 1 . 2]" 1
1555 1 64 HIS HB2 1 64 HIS HD2 . . 3.810 2.733 2.693 2.845 . 0 0 "[ . 1 . 2]" 1
1556 1 64 HIS HB3 1 65 ILE H . . 4.710 3.621 3.405 3.773 . 0 0 "[ . 1 . 2]" 1
1557 1 64 HIS HD2 2 6 VAL HA . . 5.500 5.186 4.387 5.455 . 0 0 "[ . 1 . 2]" 1
1558 1 64 HIS HD2 2 6 VAL HB . . 3.560 3.015 2.103 3.384 . 0 0 "[ . 1 . 2]" 1
1559 1 64 HIS HD2 2 6 VAL MG2 . . 3.860 3.115 2.596 3.635 . 0 0 "[ . 1 . 2]" 1
1560 1 64 HIS HD2 2 7 ILE H . . 4.530 4.377 4.026 4.533 0.003 19 0 "[ . 1 . 2]" 1
1561 1 64 HIS HD2 2 7 ILE HB . . 5.020 4.724 4.368 4.991 . 0 0 "[ . 1 . 2]" 1
1562 1 64 HIS HD2 2 7 ILE MG . . 5.500 5.320 4.998 5.503 0.003 14 0 "[ . 1 . 2]" 1
1563 1 64 HIS HE1 2 6 VAL MG2 . . 4.160 3.641 3.075 4.147 . 0 0 "[ . 1 . 2]" 1
1564 1 65 ILE H 1 65 ILE HB . . 3.490 2.636 2.503 2.837 . 0 0 "[ . 1 . 2]" 1
1565 1 65 ILE H 1 65 ILE MD . . 4.090 3.598 3.430 3.868 . 0 0 "[ . 1 . 2]" 1
1566 1 65 ILE H 1 65 ILE HG12 . . 4.470 4.138 4.038 4.288 . 0 0 "[ . 1 . 2]" 1
1567 1 65 ILE H 1 65 ILE HG13 . . 4.010 2.778 2.664 3.021 . 0 0 "[ . 1 . 2]" 1
1568 1 65 ILE H 1 65 ILE MG . . 4.280 3.846 3.789 3.933 . 0 0 "[ . 1 . 2]" 1
1569 1 65 ILE HA 1 65 ILE MD . . 4.150 3.891 3.860 3.942 . 0 0 "[ . 1 . 2]" 1
1570 1 65 ILE HA 1 65 ILE HG12 . . 4.090 2.798 2.703 2.905 . 0 0 "[ . 1 . 2]" 1
1571 1 65 ILE HA 1 65 ILE HG13 . . 4.100 2.746 2.651 2.842 . 0 0 "[ . 1 . 2]" 1
1572 1 65 ILE HA 1 65 ILE MG . . 3.540 2.378 2.207 2.466 . 0 0 "[ . 1 . 2]" 1
1573 1 65 ILE HB 1 65 ILE MD . . 3.100 2.257 2.170 2.330 . 0 0 "[ . 1 . 2]" 1
1574 1 65 ILE HB 1 67 VAL MG2 . . 4.050 3.846 3.570 4.072 0.022 20 0 "[ . 1 . 2]" 1
1575 1 65 ILE HB 1 76 VAL MG1 . . 4.560 4.075 3.576 4.493 . 0 0 "[ . 1 . 2]" 1
1576 1 65 ILE HB 1 97 ILE MD . . 4.830 3.945 3.488 4.456 . 0 0 "[ . 1 . 2]" 1
1577 1 65 ILE MD 1 97 ILE HA . . 5.500 5.186 4.909 5.485 . 0 0 "[ . 1 . 2]" 1
1578 1 65 ILE MD 1 97 ILE MD . . 2.970 2.224 1.907 2.622 . 0 0 "[ . 1 . 2]" 1
1579 1 65 ILE MD 1 99 GLU HG2 . . 4.790 3.701 3.132 4.357 . 0 0 "[ . 1 . 2]" 1
1580 1 65 ILE MD 1 99 GLU QG . . 4.210 3.399 2.933 3.973 . 0 0 "[ . 1 . 2]" 1
1581 1 65 ILE MD 1 99 GLU HG3 . . 4.790 4.038 3.139 4.590 . 0 0 "[ . 1 . 2]" 1
1582 1 65 ILE MD 1 105 VAL HB . . 4.180 3.582 3.056 3.884 . 0 0 "[ . 1 . 2]" 1
1583 1 65 ILE MD 1 105 VAL MG2 . . 3.120 2.771 2.363 3.097 . 0 0 "[ . 1 . 2]" 1
1584 1 65 ILE MD 2 9 SER QB . . 4.170 4.060 3.853 4.201 0.031 20 0 "[ . 1 . 2]" 1
1585 1 65 ILE HG12 1 65 ILE MG . . 3.300 2.127 2.035 2.274 . 0 0 "[ . 1 . 2]" 1
1586 1 65 ILE HG12 1 97 ILE MG . . 4.500 3.713 3.315 4.066 . 0 0 "[ . 1 . 2]" 1
1587 1 65 ILE HG12 2 9 SER HB2 . . 4.990 3.933 3.611 4.270 . 0 0 "[ . 1 . 2]" 1
1588 1 65 ILE HG12 2 9 SER QB . . 4.120 3.722 3.497 3.957 . 0 0 "[ . 1 . 2]" 1
1589 1 65 ILE HG12 2 9 SER HB3 . . 4.990 4.643 4.061 4.963 . 0 0 "[ . 1 . 2]" 1
1590 1 65 ILE HG13 1 65 ILE MG . . 3.550 3.145 3.128 3.167 . 0 0 "[ . 1 . 2]" 1
1591 1 65 ILE HG13 1 97 ILE MG . . 5.070 4.606 4.371 4.871 . 0 0 "[ . 1 . 2]" 1
1592 1 65 ILE HG13 2 9 SER QB . . 4.260 3.630 3.202 4.037 . 0 0 "[ . 1 . 2]" 1
1593 1 65 ILE MG 1 66 LYS H . . 4.030 2.557 2.244 3.135 . 0 0 "[ . 1 . 2]" 1
1594 1 65 ILE MG 1 66 LYS HA . . 4.700 4.033 3.656 4.359 . 0 0 "[ . 1 . 2]" 1
1595 1 65 ILE MG 1 67 VAL HA . . 4.770 3.923 3.473 4.313 . 0 0 "[ . 1 . 2]" 1
1596 1 65 ILE MG 1 76 VAL HA . . 4.470 4.000 3.670 4.317 . 0 0 "[ . 1 . 2]" 1
1597 1 65 ILE MG 1 76 VAL HB . . 3.630 2.917 2.342 3.215 . 0 0 "[ . 1 . 2]" 1
1598 1 65 ILE MG 1 97 ILE MD . . 4.000 3.458 2.621 3.879 . 0 0 "[ . 1 . 2]" 1
1599 1 65 ILE MG 2 9 SER QB . . 5.160 4.934 4.714 5.111 . 0 0 "[ . 1 . 2]" 1
1600 1 65 ILE MG 2 11 LEU HG . . 4.270 3.799 3.072 4.238 . 0 0 "[ . 1 . 2]" 1
1601 1 66 LYS H 1 66 LYS QB . . 3.740 2.301 2.165 2.586 . 0 0 "[ . 1 . 2]" 1
1602 1 66 LYS HA 1 66 LYS QD . . 4.750 3.855 1.989 4.379 . 0 0 "[ . 1 . 2]" 1
1603 1 66 LYS HA 1 67 VAL H . . 3.280 2.173 2.141 2.254 . 0 0 "[ . 1 . 2]" 1
1604 1 66 LYS HA 1 67 VAL MG2 . . 4.290 3.677 3.419 3.920 . 0 0 "[ . 1 . 2]" 1
1605 1 66 LYS QB 1 68 MET HG2 . . 5.230 5.026 4.665 5.215 . 0 0 "[ . 1 . 2]" 1
1606 1 66 LYS QB 1 68 MET HG3 . . 4.240 3.860 3.322 4.239 . 0 0 "[ . 1 . 2]" 1
1607 1 66 LYS QB 2 8 PTR HB2 . . 5.470 5.146 3.783 5.476 0.006 11 0 "[ . 1 . 2]" 1
1608 1 66 LYS QB 2 8 PTR HB3 . . 4.770 4.373 3.060 4.662 . 0 0 "[ . 1 . 2]" 1
1609 1 66 LYS QD 2 8 PTR HB2 . . 4.730 4.097 2.768 4.799 0.069 20 0 "[ . 1 . 2]" 1
1610 1 66 LYS QD 2 8 PTR HB3 . . 4.670 4.110 2.399 4.670 0.000 8 0 "[ . 1 . 2]" 1
1611 1 66 LYS QG 2 8 PTR HB2 . . 5.040 4.179 3.409 4.949 . 0 0 "[ . 1 . 2]" 1
1612 1 66 LYS QG 2 8 PTR HB3 . . 4.690 3.574 2.428 4.640 . 0 0 "[ . 1 . 2]" 1
1613 1 67 VAL H 1 67 VAL HB . . 3.790 2.572 2.484 2.668 . 0 0 "[ . 1 . 2]" 1
1614 1 67 VAL H 1 67 VAL MG2 . . 4.660 2.530 2.285 2.841 . 0 0 "[ . 1 . 2]" 1
1615 1 67 VAL HA 1 67 VAL MG1 . . 3.130 2.329 2.219 2.450 . 0 0 "[ . 1 . 2]" 1
1616 1 67 VAL HA 1 67 VAL MG2 . . 3.100 2.362 2.291 2.466 . 0 0 "[ . 1 . 2]" 1
1617 1 67 VAL HA 1 68 MET H . . 2.800 2.175 2.142 2.237 . 0 0 "[ . 1 . 2]" 1
1618 1 67 VAL HA 1 68 MET HB2 . . 4.820 4.365 4.287 4.486 . 0 0 "[ . 1 . 2]" 1
1619 1 67 VAL HA 1 68 MET HG3 . . 5.500 4.557 4.214 4.785 . 0 0 "[ . 1 . 2]" 1
1620 1 67 VAL HA 1 75 THR MG . . 5.310 4.911 4.469 5.294 . 0 0 "[ . 1 . 2]" 1
1621 1 67 VAL HA 1 76 VAL HA . . 3.800 3.440 2.889 3.675 . 0 0 "[ . 1 . 2]" 1
1622 1 67 VAL HA 1 76 VAL HB . . 5.170 4.801 4.117 5.109 . 0 0 "[ . 1 . 2]" 1
1623 1 67 VAL HA 1 76 VAL MG1 . . 3.400 2.559 2.047 3.208 . 0 0 "[ . 1 . 2]" 1
1624 1 67 VAL HA 1 88 LEU MD1 . . 4.680 4.180 3.976 4.505 . 0 0 "[ . 1 . 2]" 1
1625 1 67 VAL HB 1 85 LEU MD1 . . 4.890 3.734 3.347 3.942 . 0 0 "[ . 1 . 2]" 1
1626 1 67 VAL HB 1 85 LEU MD2 . . 4.920 4.444 4.058 4.804 . 0 0 "[ . 1 . 2]" 1
1627 1 67 VAL HB 1 88 LEU MD1 . . 4.870 4.632 4.351 4.837 . 0 0 "[ . 1 . 2]" 1
1628 1 67 VAL MG1 1 68 MET H . . 3.380 2.980 2.539 3.364 . 0 0 "[ . 1 . 2]" 1
1629 1 67 VAL MG1 1 68 MET ME . . 5.280 5.007 4.682 5.280 0.000 16 0 "[ . 1 . 2]" 1
1630 1 67 VAL MG1 1 74 TYR H . . 5.500 5.210 4.875 5.480 . 0 0 "[ . 1 . 2]" 1
1631 1 67 VAL MG1 1 74 TYR HA . . 3.970 3.541 3.179 3.785 . 0 0 "[ . 1 . 2]" 1
1632 1 67 VAL MG1 1 74 TYR HB2 . . 3.760 3.423 3.171 3.745 . 0 0 "[ . 1 . 2]" 1
1633 1 67 VAL MG1 1 74 TYR HB3 . . 3.680 2.153 1.878 2.446 . 0 0 "[ . 1 . 2]" 1
1634 1 67 VAL MG1 1 74 TYR QD . . 3.180 3.079 2.854 3.183 0.003 7 0 "[ . 1 . 2]" 1
1635 1 67 VAL MG1 1 74 TYR QE . . 4.440 4.295 4.047 4.441 0.001 20 0 "[ . 1 . 2]" 1
1636 1 67 VAL MG1 1 75 THR H . . 3.600 2.902 2.565 3.179 . 0 0 "[ . 1 . 2]" 1
1637 1 67 VAL MG1 1 75 THR HA . . 4.800 4.274 3.908 4.542 . 0 0 "[ . 1 . 2]" 1
1638 1 67 VAL MG1 1 76 VAL HA . . 4.620 4.303 4.018 4.536 . 0 0 "[ . 1 . 2]" 1
1639 1 67 VAL MG1 1 85 LEU HA . . 4.510 4.247 4.015 4.464 . 0 0 "[ . 1 . 2]" 1
1640 1 67 VAL MG1 1 85 LEU MD1 . . 3.400 2.585 2.315 3.006 . 0 0 "[ . 1 . 2]" 1
1641 1 67 VAL MG1 1 85 LEU MD2 . . 3.420 3.163 2.935 3.378 . 0 0 "[ . 1 . 2]" 1
1642 1 67 VAL MG1 1 85 LEU HG . . 5.120 4.907 4.609 5.122 0.002 8 0 "[ . 1 . 2]" 1
1643 1 67 VAL MG1 1 88 LEU HB3 . . 5.500 4.388 4.108 4.632 . 0 0 "[ . 1 . 2]" 1
1644 1 67 VAL MG1 1 89 VAL MG2 . . 5.210 4.744 4.488 4.971 . 0 0 "[ . 1 . 2]" 1
1645 1 67 VAL MG2 1 68 MET H . . 4.370 4.181 3.991 4.293 . 0 0 "[ . 1 . 2]" 1
1646 1 67 VAL MG2 1 74 TYR QD . . 5.500 5.257 5.023 5.374 . 0 0 "[ . 1 . 2]" 1
1647 1 67 VAL MG2 1 89 VAL MG2 . . 4.740 4.340 4.055 4.586 . 0 0 "[ . 1 . 2]" 1
1648 1 68 MET H 1 68 MET HB2 . . 3.200 2.245 2.183 2.325 . 0 0 "[ . 1 . 2]" 1
1649 1 68 MET H 1 68 MET HB3 . . 3.880 3.530 3.492 3.582 . 0 0 "[ . 1 . 2]" 1
1650 1 68 MET H 1 68 MET HG2 . . 4.130 4.042 3.862 4.130 . 0 0 "[ . 1 . 2]" 1
1651 1 68 MET H 1 68 MET HG3 . . 3.810 2.857 2.574 3.125 . 0 0 "[ . 1 . 2]" 1
1652 1 68 MET H 1 69 CYS H . . 4.660 4.607 4.548 4.631 . 0 0 "[ . 1 . 2]" 1
1653 1 68 MET H 1 74 TYR HA . . 5.440 5.229 5.002 5.455 0.015 14 0 "[ . 1 . 2]" 1
1654 1 68 MET H 1 75 THR MG . . 3.750 3.449 3.190 3.644 . 0 0 "[ . 1 . 2]" 1
1655 1 68 MET H 1 76 VAL HA . . 3.790 3.290 2.739 3.528 . 0 0 "[ . 1 . 2]" 1
1656 1 68 MET HA 1 68 MET HG2 . . 3.710 2.566 2.400 2.762 . 0 0 "[ . 1 . 2]" 1
1657 1 68 MET HA 1 68 MET HG3 . . 3.710 2.674 2.491 2.827 . 0 0 "[ . 1 . 2]" 1
1658 1 68 MET HA 1 69 CYS H . . 2.810 2.382 2.251 2.527 . 0 0 "[ . 1 . 2]" 1
1659 1 68 MET HB2 1 69 CYS H . . 4.220 3.871 3.631 4.157 . 0 0 "[ . 1 . 2]" 1
1660 1 68 MET HB2 1 75 THR H . . 4.160 3.611 3.353 3.877 . 0 0 "[ . 1 . 2]" 1
1661 1 68 MET HB2 1 75 THR MG . . 3.070 2.220 1.843 2.371 . 0 0 "[ . 1 . 2]" 1
1662 1 68 MET HB3 1 69 CYS H . . 3.580 2.536 2.188 2.935 . 0 0 "[ . 1 . 2]" 1
1663 1 68 MET HB3 1 75 THR MG . . 3.380 2.909 2.296 3.111 . 0 0 "[ . 1 . 2]" 1
1664 1 68 MET ME 1 68 MET HG2 . . 3.570 3.374 3.350 3.396 . 0 0 "[ . 1 . 2]" 1
1665 1 68 MET ME 1 68 MET HG3 . . 3.250 2.394 2.274 2.485 . 0 0 "[ . 1 . 2]" 1
1666 1 68 MET ME 1 75 THR H . . 4.820 4.716 4.572 4.822 0.002 16 0 "[ . 1 . 2]" 1
1667 1 68 MET ME 1 75 THR MG . . 2.980 2.492 1.905 2.879 . 0 0 "[ . 1 . 2]" 1
1668 1 68 MET ME 1 76 VAL HA . . 3.270 2.969 2.685 3.102 . 0 0 "[ . 1 . 2]" 1
1669 1 68 MET ME 1 76 VAL HB . . 4.920 4.770 4.534 4.916 . 0 0 "[ . 1 . 2]" 1
1670 1 68 MET ME 1 76 VAL MG1 . . 4.500 4.321 4.031 4.471 . 0 0 "[ . 1 . 2]" 1
1671 1 68 MET ME 1 77 GLY H . . 3.260 1.794 1.732 1.933 . 0 0 "[ . 1 . 2]" 1
1672 1 68 MET ME 1 77 GLY HA2 . . 3.490 2.152 1.937 2.447 . 0 0 "[ . 1 . 2]" 1
1673 1 68 MET ME 1 77 GLY HA3 . . 3.470 3.356 3.044 3.478 0.008 13 0 "[ . 1 . 2]" 1
1674 1 68 MET ME 1 78 GLY H . . 4.850 4.015 2.432 4.625 . 0 0 "[ . 1 . 2]" 1
1675 1 68 MET HG2 1 69 CYS H . . 4.280 3.568 3.358 3.952 . 0 0 "[ . 1 . 2]" 1
1676 1 68 MET HG2 1 75 THR MG . . 4.680 4.591 3.995 4.685 0.005 11 0 "[ . 1 . 2]" 1
1677 1 68 MET HG3 1 69 CYS H . . 4.570 4.491 4.261 4.577 0.007 20 0 "[ . 1 . 2]" 1
1678 1 68 MET HG3 1 75 THR MG . . 4.440 4.346 3.667 4.444 0.004 3 0 "[ . 1 . 2]" 1
1679 1 69 CYS H 1 69 CYS HB2 . . 3.370 3.233 2.989 3.516 0.146 15 0 "[ . 1 . 2]" 1
1680 1 69 CYS H 1 69 CYS HB3 . . 3.370 2.702 2.506 3.323 . 0 0 "[ . 1 . 2]" 1
1681 1 69 CYS H 1 74 TYR QD . . 4.690 4.415 4.192 4.641 . 0 0 "[ . 1 . 2]" 1
1682 1 69 CYS H 1 75 THR MG . . 4.750 4.445 4.074 4.726 . 0 0 "[ . 1 . 2]" 1
1683 1 69 CYS HA 1 70 GLU H . . 3.010 2.153 2.140 2.195 . 0 0 "[ . 1 . 2]" 1
1684 1 69 CYS HA 1 70 GLU QB . . 4.970 4.254 4.029 4.663 . 0 0 "[ . 1 . 2]" 1
1685 1 69 CYS HA 1 73 ARG H . . 5.360 5.095 4.810 5.361 0.001 12 0 "[ . 1 . 2]" 1
1686 1 69 CYS HA 1 74 TYR HA . . 3.550 2.305 2.007 2.620 . 0 0 "[ . 1 . 2]" 1
1687 1 69 CYS HA 1 74 TYR QD . . 4.420 2.255 2.002 2.734 . 0 0 "[ . 1 . 2]" 1
1688 1 69 CYS HA 1 75 THR H . . 4.120 3.605 3.319 3.868 . 0 0 "[ . 1 . 2]" 1
1689 1 69 CYS QB 1 70 GLU H . . 4.120 3.763 3.126 3.963 . 0 0 "[ . 1 . 2]" 1
1690 1 69 CYS QB 1 74 TYR QD . . 3.240 2.381 2.005 2.723 . 0 0 "[ . 1 . 2]" 1
1691 1 69 CYS QB 1 74 TYR QE . . 3.400 2.322 1.986 2.736 . 0 0 "[ . 1 . 2]" 1
1692 1 69 CYS HB2 1 70 GLU H . . 4.800 4.193 3.308 4.383 . 0 0 "[ . 1 . 2]" 1
1693 1 69 CYS HB3 1 70 GLU H . . 4.800 4.264 3.846 4.532 . 0 0 "[ . 1 . 2]" 1
1694 1 70 GLU H 1 70 GLU QB . . 3.540 2.475 2.166 3.095 . 0 0 "[ . 1 . 2]" 1
1695 1 70 GLU H 1 70 GLU QG . . 4.380 3.197 1.860 4.203 . 0 0 "[ . 1 . 2]" 1
1696 1 70 GLU H 1 73 ARG H . . 3.810 3.641 3.298 3.808 . 0 0 "[ . 1 . 2]" 1
1697 1 70 GLU H 1 74 TYR HA . . 4.360 3.158 2.699 3.900 . 0 0 "[ . 1 . 2]" 1
1698 1 70 GLU H 1 75 THR MG . . 4.640 4.222 3.635 4.609 . 0 0 "[ . 1 . 2]" 1
1699 1 70 GLU HA 1 70 GLU QG . . 3.690 2.583 2.154 3.251 . 0 0 "[ . 1 . 2]" 1
1700 1 70 GLU HA 1 73 ARG H . . 5.350 5.024 4.672 5.373 0.023 11 0 "[ . 1 . 2]" 1
1701 1 70 GLU QB 1 73 ARG H . . 4.720 3.977 2.796 4.686 . 0 0 "[ . 1 . 2]" 1
1702 1 70 GLU QB 1 75 THR MG . . 4.380 3.649 2.561 4.379 . 0 0 "[ . 1 . 2]" 1
1703 1 70 GLU QG 1 75 THR MG . . 3.880 2.920 1.971 3.849 . 0 0 "[ . 1 . 2]" 1
1704 1 71 GLY QA 1 73 ARG H . . 3.980 3.732 3.441 4.016 0.036 11 0 "[ . 1 . 2]" 1
1705 1 72 GLY H 1 73 ARG H . . 3.550 2.821 1.773 3.258 . 0 0 "[ . 1 . 2]" 1
1706 1 72 GLY QA 1 73 ARG QG . . 4.770 3.839 3.572 4.324 . 0 0 "[ . 1 . 2]" 1
1707 1 73 ARG H 1 73 ARG HB2 . . 3.640 2.553 2.200 3.615 . 0 0 "[ . 1 . 2]" 1
1708 1 73 ARG H 1 73 ARG QB . . 2.980 2.462 2.178 2.670 . 0 0 "[ . 1 . 2]" 1
1709 1 73 ARG H 1 73 ARG HB3 . . 3.640 3.566 2.728 3.767 0.127 14 0 "[ . 1 . 2]" 1
1710 1 73 ARG H 1 73 ARG HD2 . . 4.740 3.585 1.898 4.616 . 0 0 "[ . 1 . 2]" 1
1711 1 73 ARG H 1 73 ARG QD . . 4.070 3.300 1.886 4.040 . 0 0 "[ . 1 . 2]" 1
1712 1 73 ARG H 1 73 ARG HD3 . . 4.740 4.164 3.162 4.685 . 0 0 "[ . 1 . 2]" 1
1713 1 73 ARG H 1 73 ARG QG . . 3.180 2.457 1.890 3.160 . 0 0 "[ . 1 . 2]" 1
1714 1 73 ARG H 1 74 TYR H . . 4.840 4.560 4.462 4.634 . 0 0 "[ . 1 . 2]" 1
1715 1 73 ARG QB 1 73 ARG QD . . 2.980 2.160 2.097 2.341 . 0 0 "[ . 1 . 2]" 1
1716 1 73 ARG QB 1 74 TYR H . . 3.280 2.250 1.993 2.719 . 0 0 "[ . 1 . 2]" 1
1717 1 73 ARG QB 1 81 THR HB . . 3.240 2.008 1.814 2.212 . 0 0 "[ . 1 . 2]" 1
1718 1 73 ARG QB 1 81 THR MG . . 3.340 3.002 2.738 3.236 . 0 0 "[ . 1 . 2]" 1
1719 1 73 ARG QB 1 82 PHE H . . 3.910 2.481 2.115 2.779 . 0 0 "[ . 1 . 2]" 1
1720 1 73 ARG HB2 1 73 ARG HD2 . . 3.940 2.768 2.303 3.764 . 0 0 "[ . 1 . 2]" 1
1721 1 73 ARG HB2 1 73 ARG HD3 . . 3.940 2.686 2.179 3.622 . 0 0 "[ . 1 . 2]" 1
1722 1 73 ARG HB2 1 74 TYR H . . 4.080 3.362 2.772 3.974 . 0 0 "[ . 1 . 2]" 1
1723 1 73 ARG HB2 1 81 THR HB . . 3.840 2.780 2.002 3.424 . 0 0 "[ . 1 . 2]" 1
1724 1 73 ARG HB2 1 81 THR MG . . 3.890 3.317 2.827 3.856 . 0 0 "[ . 1 . 2]" 1
1725 1 73 ARG HB2 1 82 PHE H . . 4.550 3.957 2.458 4.465 . 0 0 "[ . 1 . 2]" 1
1726 1 73 ARG HB3 1 73 ARG HD2 . . 3.940 3.427 2.602 3.913 . 0 0 "[ . 1 . 2]" 1
1727 1 73 ARG HB3 1 73 ARG HD3 . . 3.940 2.909 2.395 3.698 . 0 0 "[ . 1 . 2]" 1
1728 1 73 ARG HB3 1 74 TYR H . . 4.080 2.341 2.009 3.929 . 0 0 "[ . 1 . 2]" 1
1729 1 73 ARG HB3 1 81 THR HB . . 3.840 2.151 1.999 3.341 . 0 0 "[ . 1 . 2]" 1
1730 1 73 ARG HB3 1 81 THR MG . . 3.890 3.520 3.246 3.897 0.007 11 0 "[ . 1 . 2]" 1
1731 1 73 ARG HB3 1 82 PHE H . . 4.550 2.583 2.136 4.032 . 0 0 "[ . 1 . 2]" 1
1732 1 73 ARG QD 1 81 THR HB . . 4.620 2.671 2.113 3.824 . 0 0 "[ . 1 . 2]" 1
1733 1 73 ARG QD 1 81 THR MG . . 3.860 2.792 1.982 3.341 . 0 0 "[ . 1 . 2]" 1
1734 1 73 ARG HD2 1 81 THR MG . . 4.440 3.770 1.994 4.444 0.004 16 0 "[ . 1 . 2]" 1
1735 1 73 ARG HD3 1 81 THR MG . . 4.440 3.081 2.689 4.163 . 0 0 "[ . 1 . 2]" 1
1736 1 73 ARG HE 1 81 THR HB . . 5.290 4.343 2.003 5.235 . 0 0 "[ . 1 . 2]" 1
1737 1 73 ARG HE 1 81 THR MG . . 5.500 4.593 2.422 5.480 . 0 0 "[ . 1 . 2]" 1
1738 1 73 ARG QG 1 74 TYR H . . 4.060 3.799 3.372 4.052 . 0 0 "[ . 1 . 2]" 1
1739 1 73 ARG QG 1 81 THR HB . . 4.280 3.340 2.882 3.902 . 0 0 "[ . 1 . 2]" 1
1740 1 73 ARG QG 1 81 THR MG . . 4.320 4.102 2.280 4.314 . 0 0 "[ . 1 . 2]" 1
1741 1 74 TYR H 1 74 TYR HB2 . . 3.440 2.698 2.537 2.845 . 0 0 "[ . 1 . 2]" 1
1742 1 74 TYR H 1 74 TYR HB3 . . 4.090 3.809 3.701 3.896 . 0 0 "[ . 1 . 2]" 1
1743 1 74 TYR H 1 74 TYR QD . . 3.770 3.654 3.432 3.769 . 0 0 "[ . 1 . 2]" 1
1744 1 74 TYR H 1 81 THR HA . . 4.950 3.977 3.627 4.400 . 0 0 "[ . 1 . 2]" 1
1745 1 74 TYR H 1 81 THR HB . . 4.360 3.531 3.282 4.006 . 0 0 "[ . 1 . 2]" 1
1746 1 74 TYR H 1 81 THR MG . . 5.050 4.525 4.210 4.834 . 0 0 "[ . 1 . 2]" 1
1747 1 74 TYR H 1 82 PHE H . . 3.580 2.217 2.058 2.637 . 0 0 "[ . 1 . 2]" 1
1748 1 74 TYR H 1 82 PHE HA . . 5.480 4.581 4.445 4.798 . 0 0 "[ . 1 . 2]" 1
1749 1 74 TYR H 1 82 PHE HB2 . . 3.570 3.458 3.307 3.561 . 0 0 "[ . 1 . 2]" 1
1750 1 74 TYR H 1 82 PHE QD . . 4.820 4.120 3.833 4.408 . 0 0 "[ . 1 . 2]" 1
1751 1 74 TYR H 1 88 LEU HB2 . . 5.190 4.776 4.553 5.007 . 0 0 "[ . 1 . 2]" 1
1752 1 74 TYR H 1 88 LEU MD1 . . 4.450 4.004 3.689 4.279 . 0 0 "[ . 1 . 2]" 1
1753 1 74 TYR HA 1 74 TYR QD . . 3.610 2.188 2.046 2.458 . 0 0 "[ . 1 . 2]" 1
1754 1 74 TYR HA 1 74 TYR QE . . 4.730 4.399 4.319 4.458 . 0 0 "[ . 1 . 2]" 1
1755 1 74 TYR HA 1 75 THR H . . 2.810 2.250 2.184 2.339 . 0 0 "[ . 1 . 2]" 1
1756 1 74 TYR HA 1 75 THR HA . . 4.740 4.464 4.416 4.515 . 0 0 "[ . 1 . 2]" 1
1757 1 74 TYR HA 1 75 THR HB . . 4.710 4.326 4.207 4.445 . 0 0 "[ . 1 . 2]" 1
1758 1 74 TYR HA 1 75 THR MG . . 3.970 3.879 3.594 4.017 0.047 11 0 "[ . 1 . 2]" 1
1759 1 74 TYR HA 1 88 LEU MD1 . . 4.760 3.942 3.775 4.083 . 0 0 "[ . 1 . 2]" 1
1760 1 74 TYR HB2 1 75 THR H . . 4.100 3.915 3.784 4.057 . 0 0 "[ . 1 . 2]" 1
1761 1 74 TYR HB2 1 82 PHE H . . 4.290 3.913 3.697 4.122 . 0 0 "[ . 1 . 2]" 1
1762 1 74 TYR HB2 1 82 PHE HB2 . . 4.110 3.018 2.816 3.181 . 0 0 "[ . 1 . 2]" 1
1763 1 74 TYR HB2 1 82 PHE HB3 . . 4.780 4.622 4.332 4.771 . 0 0 "[ . 1 . 2]" 1
1764 1 74 TYR HB2 1 82 PHE QD . . 4.500 3.831 3.464 4.287 . 0 0 "[ . 1 . 2]" 1
1765 1 74 TYR HB2 1 84 SER H . . 5.260 4.916 4.662 5.097 . 0 0 "[ . 1 . 2]" 1
1766 1 74 TYR HB2 1 85 LEU MD1 . . 4.930 4.140 3.697 4.505 . 0 0 "[ . 1 . 2]" 1
1767 1 74 TYR HB2 1 85 LEU MD2 . . 4.880 3.857 3.657 4.220 . 0 0 "[ . 1 . 2]" 1
1768 1 74 TYR HB2 1 88 LEU H . . 5.240 4.885 4.731 5.050 . 0 0 "[ . 1 . 2]" 1
1769 1 74 TYR HB2 1 88 LEU HB2 . . 4.720 3.038 2.830 3.226 . 0 0 "[ . 1 . 2]" 1
1770 1 74 TYR HB2 1 88 LEU MD1 . . 3.670 2.117 1.973 2.408 . 0 0 "[ . 1 . 2]" 1
1771 1 74 TYR HB3 1 75 THR H . . 3.690 2.841 2.582 3.081 . 0 0 "[ . 1 . 2]" 1
1772 1 74 TYR HB3 1 85 LEU HA . . 5.100 4.710 4.401 4.940 . 0 0 "[ . 1 . 2]" 1
1773 1 74 TYR HB3 1 85 LEU MD1 . . 4.810 3.842 3.398 4.263 . 0 0 "[ . 1 . 2]" 1
1774 1 74 TYR HB3 1 88 LEU HB2 . . 4.760 4.169 3.910 4.427 . 0 0 "[ . 1 . 2]" 1
1775 1 74 TYR HB3 1 88 LEU MD1 . . 3.440 2.353 2.143 2.583 . 0 0 "[ . 1 . 2]" 1
1776 1 74 TYR HB3 1 88 LEU MD2 . . 5.060 4.437 4.230 4.664 . 0 0 "[ . 1 . 2]" 1
1777 1 74 TYR QD 1 75 THR H . . 4.160 3.745 3.504 3.892 . 0 0 "[ . 1 . 2]" 1
1778 1 74 TYR QD 1 82 PHE H . . 5.310 5.145 4.956 5.314 0.004 11 0 "[ . 1 . 2]" 1
1779 1 74 TYR QD 1 82 PHE HB2 . . 4.750 4.066 3.840 4.340 . 0 0 "[ . 1 . 2]" 1
1780 1 74 TYR QD 1 84 SER H . . 4.480 4.019 3.786 4.235 . 0 0 "[ . 1 . 2]" 1
1781 1 74 TYR QD 1 84 SER HA . . 3.680 2.039 1.996 2.200 . 0 0 "[ . 1 . 2]" 1
1782 1 74 TYR QD 1 84 SER QB . . 5.150 3.737 3.459 4.072 . 0 0 "[ . 1 . 2]" 1
1783 1 74 TYR QD 1 85 LEU H . . 4.320 2.559 2.388 2.841 . 0 0 "[ . 1 . 2]" 1
1784 1 74 TYR QD 1 85 LEU HA . . 4.100 3.094 2.913 3.331 . 0 0 "[ . 1 . 2]" 1
1785 1 74 TYR QD 1 85 LEU QB . . 5.050 4.187 4.053 4.409 . 0 0 "[ . 1 . 2]" 1
1786 1 74 TYR QD 1 85 LEU MD1 . . 3.890 3.576 3.290 3.862 . 0 0 "[ . 1 . 2]" 1
1787 1 74 TYR QD 1 85 LEU MD2 . . 3.630 2.507 2.227 2.763 . 0 0 "[ . 1 . 2]" 1
1788 1 74 TYR QD 1 85 LEU HG . . 5.500 5.157 4.998 5.303 . 0 0 "[ . 1 . 2]" 1
1789 1 74 TYR QD 1 88 LEU HB2 . . 4.920 3.877 3.686 4.213 . 0 0 "[ . 1 . 2]" 1
1790 1 74 TYR QD 1 88 LEU MD1 . . 4.140 3.579 3.381 3.863 . 0 0 "[ . 1 . 2]" 1
1791 1 74 TYR QE 1 84 SER HA . . 3.450 2.403 2.119 2.695 . 0 0 "[ . 1 . 2]" 1
1792 1 74 TYR QE 1 84 SER QB . . 4.490 2.988 2.522 3.604 . 0 0 "[ . 1 . 2]" 1
1793 1 74 TYR QE 1 85 LEU H . . 4.480 2.143 1.931 2.458 . 0 0 "[ . 1 . 2]" 1
1794 1 74 TYR QE 1 85 LEU MD2 . . 3.390 2.099 1.919 2.265 . 0 0 "[ . 1 . 2]" 1
1795 1 74 TYR QE 1 85 LEU HG . . 4.870 4.744 4.536 4.879 0.009 15 0 "[ . 1 . 2]" 1
1796 1 75 THR H 1 75 THR HB . . 3.890 3.266 3.137 3.399 . 0 0 "[ . 1 . 2]" 1
1797 1 75 THR H 1 75 THR HG1 . . 4.730 4.554 4.377 4.765 0.035 15 0 "[ . 1 . 2]" 1
1798 1 75 THR H 1 75 THR MG . . 3.100 2.440 2.129 2.642 . 0 0 "[ . 1 . 2]" 1
1799 1 75 THR H 1 76 VAL H . . 4.600 4.389 4.329 4.450 . 0 0 "[ . 1 . 2]" 1
1800 1 75 THR H 1 81 THR MG . . 5.230 5.065 4.799 5.228 . 0 0 "[ . 1 . 2]" 1
1801 1 75 THR H 1 88 LEU MD1 . . 4.420 3.400 3.099 3.693 . 0 0 "[ . 1 . 2]" 1
1802 1 75 THR HA 1 75 THR MG . . 3.680 3.188 3.175 3.207 . 0 0 "[ . 1 . 2]" 1
1803 1 75 THR HA 1 76 VAL H . . 3.050 2.384 2.260 2.521 . 0 0 "[ . 1 . 2]" 1
1804 1 75 THR HA 1 81 THR HA . . 4.190 3.314 3.065 3.565 . 0 0 "[ . 1 . 2]" 1
1805 1 75 THR HA 1 81 THR MG . . 4.530 4.471 4.223 4.533 0.003 6 0 "[ . 1 . 2]" 1
1806 1 75 THR HA 1 82 PHE H . . 4.710 4.478 4.205 4.710 . 0 0 "[ . 1 . 2]" 1
1807 1 75 THR HA 1 82 PHE QD . . 4.180 2.922 2.732 3.245 . 0 0 "[ . 1 . 2]" 1
1808 1 75 THR HA 1 88 LEU MD1 . . 3.650 2.567 2.286 2.755 . 0 0 "[ . 1 . 2]" 1
1809 1 75 THR HB 1 76 VAL H . . 4.090 3.879 3.666 4.052 . 0 0 "[ . 1 . 2]" 1
1810 1 75 THR HB 1 81 THR H . . 5.360 4.972 4.657 5.207 . 0 0 "[ . 1 . 2]" 1
1811 1 75 THR HB 1 81 THR HA . . 3.690 2.648 2.444 2.757 . 0 0 "[ . 1 . 2]" 1
1812 1 75 THR HB 1 81 THR HB . . 4.210 4.122 3.860 4.214 0.004 16 0 "[ . 1 . 2]" 1
1813 1 75 THR HB 1 81 THR MG . . 3.000 2.555 2.376 2.731 . 0 0 "[ . 1 . 2]" 1
1814 1 75 THR HB 1 82 PHE H . . 4.490 4.399 4.159 4.499 0.009 15 0 "[ . 1 . 2]" 1
1815 1 75 THR HB 1 88 LEU MD1 . . 4.760 4.564 4.253 4.766 0.006 15 0 "[ . 1 . 2]" 1
1816 1 75 THR HG1 1 75 THR MG . . 3.430 2.293 1.965 2.963 . 0 0 "[ . 1 . 2]" 1
1817 1 75 THR HG1 1 76 VAL H . . 3.800 2.097 1.885 2.919 . 0 0 "[ . 1 . 2]" 1
1818 1 75 THR HG1 1 77 GLY H . . 4.490 4.025 3.452 4.523 0.033 13 0 "[ . 1 . 2]" 1
1819 1 75 THR HG1 1 78 GLY H . . 4.570 3.160 1.947 4.230 . 0 0 "[ . 1 . 2]" 1
1820 1 75 THR HG1 1 80 GLU H . . 4.670 4.274 3.945 4.583 . 0 0 "[ . 1 . 2]" 1
1821 1 75 THR HG1 1 81 THR MG . . 4.650 4.439 4.144 4.651 0.001 1 0 "[ . 1 . 2]" 1
1822 1 75 THR MG 1 76 VAL H . . 4.190 3.285 2.881 3.595 . 0 0 "[ . 1 . 2]" 1
1823 1 75 THR MG 1 76 VAL HA . . 4.120 3.662 3.404 3.913 . 0 0 "[ . 1 . 2]" 1
1824 1 75 THR MG 1 76 VAL MG1 . . 4.560 4.385 4.182 4.543 . 0 0 "[ . 1 . 2]" 1
1825 1 75 THR MG 1 77 GLY H . . 4.030 3.176 2.955 3.524 . 0 0 "[ . 1 . 2]" 1
1826 1 75 THR MG 1 77 GLY HA2 . . 4.440 4.330 4.072 4.436 . 0 0 "[ . 1 . 2]" 1
1827 1 75 THR MG 1 77 GLY HA3 . . 5.460 5.148 4.960 5.421 . 0 0 "[ . 1 . 2]" 1
1828 1 75 THR MG 1 78 GLY QA . . 4.650 4.593 4.183 4.677 0.027 13 0 "[ . 1 . 2]" 1
1829 1 75 THR MG 1 81 THR HA . . 4.360 4.264 4.079 4.365 0.005 12 0 "[ . 1 . 2]" 1
1830 1 75 THR MG 1 81 THR HB . . 5.480 5.179 4.871 5.321 . 0 0 "[ . 1 . 2]" 1
1831 1 76 VAL H 1 76 VAL MG1 . . 3.570 3.062 2.879 3.265 . 0 0 "[ . 1 . 2]" 1
1832 1 76 VAL H 1 76 VAL MG2 . . 3.010 2.003 1.884 2.157 . 0 0 "[ . 1 . 2]" 1
1833 1 76 VAL H 1 77 GLY HA2 . . 5.500 5.458 5.287 5.572 0.072 11 0 "[ . 1 . 2]" 1
1834 1 76 VAL H 1 77 GLY HA3 . . 5.500 5.252 5.093 5.513 0.013 3 0 "[ . 1 . 2]" 1
1835 1 76 VAL H 1 78 GLY H . . 4.610 3.408 2.825 4.172 . 0 0 "[ . 1 . 2]" 1
1836 1 76 VAL H 1 82 PHE QD . . 5.440 4.790 4.262 5.207 . 0 0 "[ . 1 . 2]" 1
1837 1 76 VAL H 1 88 LEU MD1 . . 4.700 3.692 3.433 3.933 . 0 0 "[ . 1 . 2]" 1
1838 1 76 VAL H 2 11 LEU QD . . 4.620 4.343 4.204 4.579 . 0 0 "[ . 1 . 2]" 1
1839 1 76 VAL HA 1 76 VAL MG1 . . 2.960 2.204 2.093 2.291 . 0 0 "[ . 1 . 2]" 1
1840 1 76 VAL HA 1 76 VAL MG2 . . 3.250 3.187 3.167 3.196 . 0 0 "[ . 1 . 2]" 1
1841 1 76 VAL HA 1 78 GLY H . . 5.060 4.269 3.811 4.924 . 0 0 "[ . 1 . 2]" 1
1842 1 76 VAL HA 2 11 LEU QD . . 3.870 3.624 3.486 3.860 . 0 0 "[ . 1 . 2]" 1
1843 1 76 VAL HB 2 11 LEU MD1 . . 4.450 3.060 1.903 4.109 . 0 0 "[ . 1 . 2]" 1
1844 1 76 VAL HB 2 11 LEU QD . . 2.910 1.971 1.848 2.357 . 0 0 "[ . 1 . 2]" 1
1845 1 76 VAL HB 2 11 LEU MD2 . . 4.450 2.599 1.856 4.099 . 0 0 "[ . 1 . 2]" 1
1846 1 76 VAL HB 2 11 LEU HG . . 4.700 4.158 3.549 4.611 . 0 0 "[ . 1 . 2]" 1
1847 1 76 VAL MG1 1 88 LEU HB3 . . 5.500 5.279 4.897 5.494 . 0 0 "[ . 1 . 2]" 1
1848 1 76 VAL MG1 1 92 PHE QD . . 4.560 4.078 3.708 4.421 . 0 0 "[ . 1 . 2]" 1
1849 1 76 VAL MG1 1 92 PHE QE . . 3.840 2.690 2.134 3.235 . 0 0 "[ . 1 . 2]" 1
1850 1 76 VAL MG1 1 92 PHE HZ . . 4.410 3.911 3.487 4.295 . 0 0 "[ . 1 . 2]" 1
1851 1 76 VAL MG1 1 97 ILE MD . . 3.780 3.477 3.128 3.724 . 0 0 "[ . 1 . 2]" 1
1852 1 76 VAL MG1 2 11 LEU HG . . 5.400 5.163 4.724 5.409 0.009 11 0 "[ . 1 . 2]" 1
1853 1 76 VAL MG2 1 77 GLY H . . 4.810 4.171 4.129 4.234 . 0 0 "[ . 1 . 2]" 1
1854 1 76 VAL MG2 1 78 GLY H . . 4.210 3.387 3.055 3.897 . 0 0 "[ . 1 . 2]" 1
1855 1 76 VAL MG2 1 82 PHE QE . . 4.790 3.510 3.163 4.019 . 0 0 "[ . 1 . 2]" 1
1856 1 76 VAL MG2 1 92 PHE QD . . 4.500 4.036 3.797 4.247 . 0 0 "[ . 1 . 2]" 1
1857 1 76 VAL MG2 1 92 PHE QE . . 3.680 2.135 1.977 2.303 . 0 0 "[ . 1 . 2]" 1
1858 1 76 VAL MG2 1 92 PHE HZ . . 3.450 2.115 1.874 2.353 . 0 0 "[ . 1 . 2]" 1
1859 1 76 VAL MG2 1 97 ILE HA . . 5.500 5.014 4.702 5.345 . 0 0 "[ . 1 . 2]" 1
1860 1 76 VAL MG2 2 11 LEU HB2 . . 5.060 4.744 4.123 5.063 0.003 11 0 "[ . 1 . 2]" 1
1861 1 76 VAL MG2 2 11 LEU HG . . 4.390 3.972 2.211 4.399 0.009 13 0 "[ . 1 . 2]" 1
1862 1 77 GLY H 1 78 GLY H . . 4.070 3.313 2.779 3.893 . 0 0 "[ . 1 . 2]" 1
1863 1 77 GLY H 2 11 LEU QD . . 4.920 3.996 3.564 4.245 . 0 0 "[ . 1 . 2]" 1
1864 1 77 GLY HA2 2 13 LEU QD . . 4.670 4.388 4.011 4.669 . 0 0 "[ . 1 . 2]" 1
1865 1 77 GLY HA3 2 11 LEU QD . . 3.630 3.075 2.468 3.403 . 0 0 "[ . 1 . 2]" 1
1866 1 77 GLY HA3 2 13 LEU QD . . 3.610 3.205 2.695 3.574 . 0 0 "[ . 1 . 2]" 1
1867 1 78 GLY H 1 79 LEU H . . 4.600 4.549 4.395 4.640 0.040 11 0 "[ . 1 . 2]" 1
1868 1 78 GLY H 1 80 GLU H . . 5.200 4.967 4.561 5.195 . 0 0 "[ . 1 . 2]" 1
1869 1 78 GLY H 2 11 LEU QD . . 4.570 3.792 3.208 4.558 . 0 0 "[ . 1 . 2]" 1
1870 1 78 GLY H 2 13 LEU MD1 . . 4.300 3.138 1.745 4.198 . 0 0 "[ . 1 . 2]" 1
1871 1 78 GLY H 2 13 LEU MD2 . . 4.300 3.734 2.563 4.329 0.029 13 0 "[ . 1 . 2]" 1
1872 1 78 GLY QA 1 79 LEU H . . 2.990 2.251 2.174 2.283 . 0 0 "[ . 1 . 2]" 1
1873 1 78 GLY QA 1 79 LEU HB2 . . 4.690 4.243 4.121 4.382 . 0 0 "[ . 1 . 2]" 1
1874 1 78 GLY QA 1 79 LEU QD . . 4.310 3.844 2.991 4.302 . 0 0 "[ . 1 . 2]" 1
1875 1 78 GLY QA 1 80 GLU H . . 4.250 3.073 2.883 3.242 . 0 0 "[ . 1 . 2]" 1
1876 1 78 GLY QA 2 13 LEU QB . . 3.560 2.816 1.920 3.265 . 0 0 "[ . 1 . 2]" 1
1877 1 78 GLY QA 2 13 LEU QD . . 3.240 2.128 1.918 2.897 . 0 0 "[ . 1 . 2]" 1
1878 1 78 GLY QA 2 13 LEU HG . . 4.740 4.433 2.016 4.734 . 0 0 "[ . 1 . 2]" 1
1879 1 78 GLY HA2 1 79 LEU H . . 3.420 2.415 2.236 2.645 . 0 0 "[ . 1 . 2]" 1
1880 1 78 GLY HA2 2 13 LEU HG . . 5.500 5.030 2.883 5.385 . 0 0 "[ . 1 . 2]" 1
1881 1 78 GLY HA3 1 79 LEU H . . 3.420 2.730 2.483 2.967 . 0 0 "[ . 1 . 2]" 1
1882 1 78 GLY HA3 2 13 LEU HG . . 5.500 4.957 2.058 5.423 . 0 0 "[ . 1 . 2]" 1
1883 1 79 LEU H 1 79 LEU HB2 . . 3.190 2.291 2.153 2.435 . 0 0 "[ . 1 . 2]" 1
1884 1 79 LEU H 1 79 LEU HB3 . . 3.860 3.548 3.466 3.616 . 0 0 "[ . 1 . 2]" 1
1885 1 79 LEU H 1 79 LEU QD . . 4.380 2.957 2.034 3.362 . 0 0 "[ . 1 . 2]" 1
1886 1 79 LEU H 1 79 LEU HG . . 4.140 3.060 2.443 4.125 . 0 0 "[ . 1 . 2]" 1
1887 1 79 LEU H 1 80 GLU H . . 3.160 2.437 2.192 2.657 . 0 0 "[ . 1 . 2]" 1
1888 1 79 LEU H 2 13 LEU QD . . 4.500 3.788 3.137 4.504 0.004 16 0 "[ . 1 . 2]" 1
1889 1 79 LEU HA 1 79 LEU MD1 . . 3.950 3.478 1.939 3.921 . 0 0 "[ . 1 . 2]" 1
1890 1 79 LEU HA 1 79 LEU QD . . 2.750 2.275 1.894 2.749 . 0 0 "[ . 1 . 2]" 1
1891 1 79 LEU HA 1 79 LEU MD2 . . 3.950 2.535 1.983 3.727 . 0 0 "[ . 1 . 2]" 1
1892 1 79 LEU HA 1 79 LEU HG . . 3.590 2.835 2.322 3.686 0.096 9 0 "[ . 1 . 2]" 1
1893 1 79 LEU HB2 1 79 LEU MD1 . . 3.250 2.332 2.105 3.177 . 0 0 "[ . 1 . 2]" 1
1894 1 79 LEU HB2 1 79 LEU MD2 . . 3.250 2.948 2.203 3.188 . 0 0 "[ . 1 . 2]" 1
1895 1 79 LEU HB2 1 80 GLU H . . 3.430 3.149 2.933 3.418 . 0 0 "[ . 1 . 2]" 1
1896 1 79 LEU HB2 1 80 GLU QG . . 4.620 4.404 4.090 4.627 0.007 11 0 "[ . 1 . 2]" 1
1897 1 79 LEU HB3 1 79 LEU QD . . 3.040 2.107 2.018 2.317 . 0 0 "[ . 1 . 2]" 1
1898 1 79 LEU HB3 1 80 GLU H . . 3.940 3.851 3.587 3.944 0.004 11 0 "[ . 1 . 2]" 1
1899 1 79 LEU HB3 1 80 GLU QG . . 5.500 5.036 4.505 5.409 . 0 0 "[ . 1 . 2]" 1
1900 1 79 LEU QD 1 80 GLU H . . 4.790 4.220 3.930 4.399 . 0 0 "[ . 1 . 2]" 1
1901 1 79 LEU QD 1 80 GLU QG . . 5.440 5.149 4.861 5.373 . 0 0 "[ . 1 . 2]" 1
1902 1 80 GLU H 1 80 GLU HB2 . . 3.080 2.268 2.179 2.414 . 0 0 "[ . 1 . 2]" 1
1903 1 80 GLU H 1 80 GLU HB3 . . 3.790 3.535 3.485 3.580 . 0 0 "[ . 1 . 2]" 1
1904 1 80 GLU H 1 80 GLU QG . . 3.270 2.780 2.537 3.270 . 0 0 "[ . 1 . 2]" 1
1905 1 80 GLU H 1 81 THR H . . 4.720 4.604 4.528 4.636 . 0 0 "[ . 1 . 2]" 1
1906 1 80 GLU H 1 81 THR MG . . 4.860 4.543 4.420 4.655 . 0 0 "[ . 1 . 2]" 1
1907 1 80 GLU H 2 13 LEU QD . . 5.440 4.349 3.763 5.048 . 0 0 "[ . 1 . 2]" 1
1908 1 80 GLU HA 1 80 GLU QG . . 3.240 2.288 2.140 2.374 . 0 0 "[ . 1 . 2]" 1
1909 1 80 GLU HA 1 81 THR H . . 2.650 2.516 2.414 2.642 . 0 0 "[ . 1 . 2]" 1
1910 1 80 GLU HA 1 81 THR HA . . 4.720 4.554 4.495 4.616 . 0 0 "[ . 1 . 2]" 1
1911 1 80 GLU HA 1 81 THR MG . . 3.890 3.265 3.078 3.455 . 0 0 "[ . 1 . 2]" 1
1912 1 80 GLU HB2 1 81 THR H . . 4.070 3.655 3.478 3.808 . 0 0 "[ . 1 . 2]" 1
1913 1 80 GLU HB2 1 82 PHE QE . . 4.210 3.897 3.438 4.184 . 0 0 "[ . 1 . 2]" 1
1914 1 80 GLU HB2 1 82 PHE HZ . . 4.770 4.567 4.397 4.753 . 0 0 "[ . 1 . 2]" 1
1915 1 80 GLU HB3 1 81 THR H . . 3.650 2.215 1.963 2.432 . 0 0 "[ . 1 . 2]" 1
1916 1 80 GLU HB3 1 82 PHE QD . . 4.930 4.607 4.360 4.826 . 0 0 "[ . 1 . 2]" 1
1917 1 80 GLU HB3 1 82 PHE QE . . 4.040 3.462 2.986 3.778 . 0 0 "[ . 1 . 2]" 1
1918 1 80 GLU HB3 1 82 PHE HZ . . 4.010 3.886 3.632 4.015 0.005 15 0 "[ . 1 . 2]" 1
1919 1 80 GLU QG 1 81 THR H . . 4.010 3.487 3.241 3.859 . 0 0 "[ . 1 . 2]" 1
1920 1 80 GLU QG 1 81 THR MG . . 4.930 4.905 4.827 4.936 0.006 15 0 "[ . 1 . 2]" 1
1921 1 80 GLU QG 1 82 PHE QE . . 4.950 4.852 4.656 4.948 . 0 0 "[ . 1 . 2]" 1
1922 1 80 GLU QG 1 82 PHE HZ . . 4.910 4.820 4.509 4.916 0.006 11 0 "[ . 1 . 2]" 1
1923 1 80 GLU QG 2 13 LEU QD . . 4.910 4.727 4.179 4.916 0.006 2 0 "[ . 1 . 2]" 1
1924 1 81 THR H 1 81 THR HB . . 4.010 3.976 3.921 4.007 . 0 0 "[ . 1 . 2]" 1
1925 1 81 THR H 1 81 THR MG . . 3.640 3.069 2.801 3.309 . 0 0 "[ . 1 . 2]" 1
1926 1 81 THR H 1 82 PHE H . . 4.670 4.381 4.333 4.419 . 0 0 "[ . 1 . 2]" 1
1927 1 81 THR HA 1 81 THR MG . . 3.170 2.381 2.252 2.497 . 0 0 "[ . 1 . 2]" 1
1928 1 81 THR HA 1 82 PHE H . . 3.030 2.410 2.297 2.517 . 0 0 "[ . 1 . 2]" 1
1929 1 81 THR HA 1 82 PHE QD . . 3.770 3.037 2.745 3.375 . 0 0 "[ . 1 . 2]" 1
1930 1 81 THR HA 1 88 LEU MD1 . . 4.690 4.473 4.208 4.697 0.007 8 0 "[ . 1 . 2]" 1
1931 1 81 THR HB 1 82 PHE H . . 3.340 2.405 2.137 2.657 . 0 0 "[ . 1 . 2]" 1
1932 1 81 THR HB 1 82 PHE QD . . 5.500 4.747 4.438 5.090 . 0 0 "[ . 1 . 2]" 1
1933 1 81 THR MG 1 82 PHE H . . 3.800 3.738 3.533 3.811 0.011 15 0 "[ . 1 . 2]" 1
1934 1 81 THR MG 1 82 PHE QD . . 5.500 4.872 4.631 5.070 . 0 0 "[ . 1 . 2]" 1
1935 1 82 PHE H 1 82 PHE HB2 . . 3.500 2.850 2.746 3.001 . 0 0 "[ . 1 . 2]" 1
1936 1 82 PHE H 1 82 PHE HB3 . . 3.970 3.895 3.834 3.977 0.007 11 0 "[ . 1 . 2]" 1
1937 1 82 PHE H 1 82 PHE QD . . 3.430 2.922 2.689 3.209 . 0 0 "[ . 1 . 2]" 1
1938 1 82 PHE H 1 82 PHE QE . . 5.150 4.919 4.785 5.081 . 0 0 "[ . 1 . 2]" 1
1939 1 82 PHE H 1 83 ASP H . . 4.690 4.322 4.171 4.448 . 0 0 "[ . 1 . 2]" 1
1940 1 82 PHE H 1 84 SER H . . 5.500 5.219 4.829 5.453 . 0 0 "[ . 1 . 2]" 1
1941 1 82 PHE H 1 87 ASP HB3 . . 5.500 5.483 5.422 5.508 0.008 7 0 "[ . 1 . 2]" 1
1942 1 82 PHE H 1 88 LEU MD1 . . 4.680 4.136 3.886 4.413 . 0 0 "[ . 1 . 2]" 1
1943 1 82 PHE HA 1 82 PHE QD . . 4.050 3.019 2.844 3.158 . 0 0 "[ . 1 . 2]" 1
1944 1 82 PHE HA 1 83 ASP H . . 2.970 2.219 2.152 2.324 . 0 0 "[ . 1 . 2]" 1
1945 1 82 PHE HA 1 83 ASP QB . . 4.560 4.295 4.148 4.531 . 0 0 "[ . 1 . 2]" 1
1946 1 82 PHE HA 1 84 SER H . . 4.570 4.297 3.970 4.452 . 0 0 "[ . 1 . 2]" 1
1947 1 82 PHE HB2 1 83 ASP H . . 4.420 3.965 3.700 4.195 . 0 0 "[ . 1 . 2]" 1
1948 1 82 PHE HB2 1 84 SER H . . 4.250 3.665 3.240 4.072 . 0 0 "[ . 1 . 2]" 1
1949 1 82 PHE HB2 1 85 LEU HA . . 5.500 4.989 4.715 5.203 . 0 0 "[ . 1 . 2]" 1
1950 1 82 PHE HB2 1 87 ASP HB3 . . 4.310 3.566 3.312 3.794 . 0 0 "[ . 1 . 2]" 1
1951 1 82 PHE HB2 1 88 LEU H . . 3.400 3.292 3.083 3.405 0.005 7 0 "[ . 1 . 2]" 1
1952 1 82 PHE HB2 1 88 LEU HA . . 4.510 3.254 3.098 3.499 . 0 0 "[ . 1 . 2]" 1
1953 1 82 PHE HB2 1 88 LEU HB2 . . 4.050 2.019 1.993 2.160 . 0 0 "[ . 1 . 2]" 1
1954 1 82 PHE HB2 1 88 LEU HB3 . . 4.370 3.727 3.635 3.813 . 0 0 "[ . 1 . 2]" 1
1955 1 82 PHE HB2 1 88 LEU MD1 . . 3.850 2.843 2.486 3.120 . 0 0 "[ . 1 . 2]" 1
1956 1 82 PHE HB2 1 88 LEU MD2 . . 5.500 4.691 4.534 4.879 . 0 0 "[ . 1 . 2]" 1
1957 1 82 PHE HB3 1 83 ASP H . . 3.690 2.974 2.638 3.293 . 0 0 "[ . 1 . 2]" 1
1958 1 82 PHE HB3 1 83 ASP QB . . 4.830 4.236 4.109 4.396 . 0 0 "[ . 1 . 2]" 1
1959 1 82 PHE HB3 1 84 SER H . . 3.350 3.115 2.760 3.308 . 0 0 "[ . 1 . 2]" 1
1960 1 82 PHE HB3 1 87 ASP H . . 4.960 4.171 3.735 4.342 . 0 0 "[ . 1 . 2]" 1
1961 1 82 PHE HB3 1 87 ASP HB2 . . 3.920 3.428 2.092 3.777 . 0 0 "[ . 1 . 2]" 1
1962 1 82 PHE HB3 1 87 ASP HB3 . . 3.890 2.012 1.995 2.040 . 0 0 "[ . 1 . 2]" 1
1963 1 82 PHE HB3 1 88 LEU H . . 4.000 2.732 2.512 2.936 . 0 0 "[ . 1 . 2]" 1
1964 1 82 PHE HB3 1 88 LEU HA . . 4.930 2.984 2.788 3.268 . 0 0 "[ . 1 . 2]" 1
1965 1 82 PHE HB3 1 88 LEU HB2 . . 4.200 2.896 2.572 3.114 . 0 0 "[ . 1 . 2]" 1
1966 1 82 PHE HB3 1 88 LEU HB3 . . 4.680 4.249 4.056 4.444 . 0 0 "[ . 1 . 2]" 1
1967 1 82 PHE HB3 1 88 LEU MD1 . . 4.450 4.181 3.796 4.431 . 0 0 "[ . 1 . 2]" 1
1968 1 82 PHE QD 1 83 ASP H . . 4.540 4.134 3.946 4.295 . 0 0 "[ . 1 . 2]" 1
1969 1 82 PHE QD 1 84 SER H . . 5.330 4.954 4.700 5.100 . 0 0 "[ . 1 . 2]" 1
1970 1 82 PHE QD 1 87 ASP HA . . 5.010 4.253 3.905 4.423 . 0 0 "[ . 1 . 2]" 1
1971 1 82 PHE QD 1 87 ASP HB2 . . 4.760 4.406 3.567 4.730 . 0 0 "[ . 1 . 2]" 1
1972 1 82 PHE QD 1 87 ASP HB3 . . 3.700 3.083 2.088 3.605 . 0 0 "[ . 1 . 2]" 1
1973 1 82 PHE QD 1 88 LEU HA . . 4.050 2.668 2.527 2.812 . 0 0 "[ . 1 . 2]" 1
1974 1 82 PHE QD 1 88 LEU HB2 . . 4.110 3.049 2.535 3.319 . 0 0 "[ . 1 . 2]" 1
1975 1 82 PHE QD 1 88 LEU HB3 . . 4.570 4.405 4.030 4.583 0.013 15 0 "[ . 1 . 2]" 1
1976 1 82 PHE QD 1 88 LEU MD1 . . 3.190 2.427 2.162 2.785 . 0 0 "[ . 1 . 2]" 1
1977 1 82 PHE QD 1 88 LEU HG . . 4.240 3.083 2.810 3.497 . 0 0 "[ . 1 . 2]" 1
1978 1 82 PHE QD 1 91 HIS H . . 4.790 4.616 4.452 4.778 . 0 0 "[ . 1 . 2]" 1
1979 1 82 PHE QD 1 91 HIS HB2 . . 4.870 3.603 3.440 3.751 . 0 0 "[ . 1 . 2]" 1
1980 1 82 PHE QE 1 88 LEU HA . . 4.360 3.334 3.080 3.435 . 0 0 "[ . 1 . 2]" 1
1981 1 82 PHE QE 1 88 LEU MD1 . . 4.000 3.236 2.693 3.611 . 0 0 "[ . 1 . 2]" 1
1982 1 82 PHE QE 1 88 LEU HG . . 4.560 3.192 2.495 3.718 . 0 0 "[ . 1 . 2]" 1
1983 1 82 PHE QE 1 91 HIS H . . 4.670 4.619 4.509 4.668 . 0 0 "[ . 1 . 2]" 1
1984 1 82 PHE QE 1 91 HIS HA . . 4.930 4.826 4.707 4.912 . 0 0 "[ . 1 . 2]" 1
1985 1 82 PHE QE 1 91 HIS HB2 . . 3.880 2.864 2.668 2.978 . 0 0 "[ . 1 . 2]" 1
1986 1 82 PHE QE 1 91 HIS HB3 . . 4.200 2.431 2.310 2.521 . 0 0 "[ . 1 . 2]" 1
1987 1 82 PHE QE 1 91 HIS HD2 . . 4.970 3.290 3.053 3.462 . 0 0 "[ . 1 . 2]" 1
1988 1 82 PHE QE 1 92 PHE QE . . 4.650 3.390 2.519 4.060 . 0 0 "[ . 1 . 2]" 1
1989 1 82 PHE QE 1 92 PHE HZ . . 4.660 4.125 3.618 4.593 . 0 0 "[ . 1 . 2]" 1
1990 1 82 PHE HZ 1 88 LEU HA . . 4.710 4.179 3.635 4.418 . 0 0 "[ . 1 . 2]" 1
1991 1 82 PHE HZ 1 91 HIS HB2 . . 5.160 5.017 4.583 5.164 0.004 14 0 "[ . 1 . 2]" 1
1992 1 82 PHE HZ 1 91 HIS HB3 . . 4.390 3.964 3.557 4.160 . 0 0 "[ . 1 . 2]" 1
1993 1 82 PHE HZ 1 91 HIS HD2 . . 4.060 3.121 2.536 3.506 . 0 0 "[ . 1 . 2]" 1
1994 1 83 ASP H 1 83 ASP QB . . 3.100 2.338 2.177 2.621 . 0 0 "[ . 1 . 2]" 1
1995 1 83 ASP H 1 84 SER H . . 3.220 2.981 2.747 3.159 . 0 0 "[ . 1 . 2]" 1
1996 1 83 ASP H 1 87 ASP HB3 . . 4.870 2.741 2.320 3.060 . 0 0 "[ . 1 . 2]" 1
1997 1 83 ASP QB 1 84 SER H . . 3.840 2.490 2.313 2.816 . 0 0 "[ . 1 . 2]" 1
1998 1 83 ASP QB 1 84 SER QB . . 4.290 3.541 3.133 4.240 . 0 0 "[ . 1 . 2]" 1
1999 1 84 SER H 1 84 SER HB2 . . 4.010 3.279 2.857 4.002 . 0 0 "[ . 1 . 2]" 1
2000 1 84 SER H 1 84 SER QB . . 3.520 2.977 2.782 3.337 . 0 0 "[ . 1 . 2]" 1
2001 1 84 SER H 1 84 SER HB3 . . 4.010 3.626 3.064 3.909 . 0 0 "[ . 1 . 2]" 1
2002 1 84 SER H 1 85 LEU H . . 4.530 4.363 4.354 4.376 . 0 0 "[ . 1 . 2]" 1
2003 1 84 SER H 1 85 LEU HA . . 5.270 5.111 5.038 5.145 . 0 0 "[ . 1 . 2]" 1
2004 1 84 SER H 1 87 ASP HA . . 5.170 4.796 4.620 4.974 . 0 0 "[ . 1 . 2]" 1
2005 1 84 SER H 1 87 ASP HB2 . . 3.150 2.700 1.956 3.018 . 0 0 "[ . 1 . 2]" 1
2006 1 84 SER H 1 87 ASP HB3 . . 4.000 2.540 1.972 3.673 . 0 0 "[ . 1 . 2]" 1
2007 1 84 SER H 1 88 LEU H . . 4.310 3.448 3.248 3.680 . 0 0 "[ . 1 . 2]" 1
2008 1 84 SER H 1 88 LEU HB2 . . 4.910 4.459 4.349 4.574 . 0 0 "[ . 1 . 2]" 1
2009 1 84 SER H 1 88 LEU MD1 . . 5.500 5.447 5.356 5.503 0.003 18 0 "[ . 1 . 2]" 1
2010 1 84 SER HA 1 85 LEU H . . 3.170 2.596 2.511 2.648 . 0 0 "[ . 1 . 2]" 1
2011 1 84 SER HA 1 86 THR H . . 5.360 4.351 4.183 4.971 . 0 0 "[ . 1 . 2]" 1
2012 1 84 SER QB 1 85 LEU H . . 3.190 2.235 1.949 2.955 . 0 0 "[ . 1 . 2]" 1
2013 1 84 SER QB 1 85 LEU HA . . 5.210 4.445 4.279 4.783 . 0 0 "[ . 1 . 2]" 1
2014 1 84 SER QB 1 86 THR H . . 3.130 2.694 2.431 3.116 . 0 0 "[ . 1 . 2]" 1
2015 1 84 SER QB 1 87 ASP H . . 4.760 3.590 3.284 4.267 . 0 0 "[ . 1 . 2]" 1
2016 1 84 SER HB2 1 85 LEU H . . 3.810 3.206 1.960 3.768 . 0 0 "[ . 1 . 2]" 1
2017 1 84 SER HB3 1 85 LEU H . . 3.810 2.637 1.982 3.555 . 0 0 "[ . 1 . 2]" 1
2018 1 85 LEU H 1 85 LEU HB2 . . 3.750 2.245 2.202 2.289 . 0 0 "[ . 1 . 2]" 1
2019 1 85 LEU H 1 85 LEU QB . . 3.180 2.221 2.180 2.263 . 0 0 "[ . 1 . 2]" 1
2020 1 85 LEU H 1 85 LEU HB3 . . 3.750 3.530 3.506 3.548 . 0 0 "[ . 1 . 2]" 1
2021 1 85 LEU H 1 85 LEU MD1 . . 4.860 3.666 3.554 3.828 . 0 0 "[ . 1 . 2]" 1
2022 1 85 LEU H 1 85 LEU MD2 . . 4.160 1.994 1.873 2.184 . 0 0 "[ . 1 . 2]" 1
2023 1 85 LEU H 1 85 LEU HG . . 4.260 3.988 3.883 4.069 . 0 0 "[ . 1 . 2]" 1
2024 1 85 LEU H 1 86 THR H . . 3.400 2.834 2.740 3.156 . 0 0 "[ . 1 . 2]" 1
2025 1 85 LEU H 1 87 ASP H . . 5.320 4.730 4.403 4.847 . 0 0 "[ . 1 . 2]" 1
2026 1 85 LEU HA 1 85 LEU MD1 . . 3.250 2.016 1.960 2.078 . 0 0 "[ . 1 . 2]" 1
2027 1 85 LEU HA 1 85 LEU MD2 . . 3.560 2.664 2.459 2.847 . 0 0 "[ . 1 . 2]" 1
2028 1 85 LEU HA 1 85 LEU HG . . 3.920 3.659 3.626 3.688 . 0 0 "[ . 1 . 2]" 1
2029 1 85 LEU HA 1 86 THR HA . . 5.500 4.802 4.759 4.890 . 0 0 "[ . 1 . 2]" 1
2030 1 85 LEU HA 1 88 LEU H . . 3.740 3.589 3.282 3.712 . 0 0 "[ . 1 . 2]" 1
2031 1 85 LEU HA 1 88 LEU HB2 . . 4.040 3.541 3.370 3.741 . 0 0 "[ . 1 . 2]" 1
2032 1 85 LEU HA 1 88 LEU HB3 . . 3.460 2.541 2.405 2.721 . 0 0 "[ . 1 . 2]" 1
2033 1 85 LEU HA 1 88 LEU MD1 . . 4.120 3.738 3.594 3.875 . 0 0 "[ . 1 . 2]" 1
2034 1 85 LEU HA 1 88 LEU MD2 . . 4.290 3.595 3.160 3.869 . 0 0 "[ . 1 . 2]" 1
2035 1 85 LEU HA 1 89 VAL H . . 4.370 3.361 3.207 3.585 . 0 0 "[ . 1 . 2]" 1
2036 1 85 LEU HA 1 89 VAL MG2 . . 4.570 3.176 2.956 3.356 . 0 0 "[ . 1 . 2]" 1
2037 1 85 LEU QB 1 85 LEU MD2 . . 2.910 2.189 2.107 2.291 . 0 0 "[ . 1 . 2]" 1
2038 1 85 LEU QB 1 86 THR H . . 3.130 2.783 2.276 2.889 . 0 0 "[ . 1 . 2]" 1
2039 1 85 LEU QB 1 86 THR HA . . 4.780 3.855 3.669 3.900 . 0 0 "[ . 1 . 2]" 1
2040 1 85 LEU QB 1 89 VAL MG2 . . 4.290 2.702 2.609 2.907 . 0 0 "[ . 1 . 2]" 1
2041 1 85 LEU HB2 1 86 THR H . . 3.580 2.941 2.424 3.050 . 0 0 "[ . 1 . 2]" 1
2042 1 85 LEU HB2 1 89 VAL MG2 . . 5.050 4.219 4.129 4.388 . 0 0 "[ . 1 . 2]" 1
2043 1 85 LEU HB3 1 86 THR H . . 3.580 3.438 2.758 3.575 . 0 0 "[ . 1 . 2]" 1
2044 1 85 LEU HB3 1 89 VAL MG2 . . 5.050 2.734 2.637 2.950 . 0 0 "[ . 1 . 2]" 1
2045 1 85 LEU MD1 1 88 LEU H . . 5.500 4.869 4.573 5.044 . 0 0 "[ . 1 . 2]" 1
2046 1 85 LEU MD1 1 88 LEU HB3 . . 4.630 3.281 3.107 3.440 . 0 0 "[ . 1 . 2]" 1
2047 1 85 LEU MD1 1 88 LEU MD2 . . 3.580 2.953 2.676 3.169 . 0 0 "[ . 1 . 2]" 1
2048 1 85 LEU MD1 1 89 VAL H . . 4.770 3.804 3.566 4.100 . 0 0 "[ . 1 . 2]" 1
2049 1 85 LEU MD1 1 89 VAL MG2 . . 4.290 2.421 2.233 2.625 . 0 0 "[ . 1 . 2]" 1
2050 1 85 LEU MD2 1 86 THR H . . 4.670 4.168 4.055 4.240 . 0 0 "[ . 1 . 2]" 1
2051 1 85 LEU MD2 1 88 LEU H . . 5.500 5.411 5.214 5.500 . 13 0 "[ . 1 . 2]" 1
2052 1 85 LEU MD2 1 88 LEU HB3 . . 4.730 4.552 4.296 4.666 . 0 0 "[ . 1 . 2]" 1
2053 1 85 LEU MD2 1 88 LEU MD2 . . 4.780 4.662 4.457 4.777 . 0 0 "[ . 1 . 2]" 1
2054 1 85 LEU HG 1 86 THR H . . 5.380 5.259 4.703 5.372 . 0 0 "[ . 1 . 2]" 1
2055 1 85 LEU HG 1 89 VAL MG2 . . 4.790 4.189 4.002 4.382 . 0 0 "[ . 1 . 2]" 1
2056 1 86 THR H 1 86 THR HB . . 3.260 2.561 2.507 2.687 . 0 0 "[ . 1 . 2]" 1
2057 1 86 THR H 1 86 THR MG . . 3.970 3.767 3.765 3.775 . 0 0 "[ . 1 . 2]" 1
2058 1 86 THR H 1 88 LEU H . . 4.510 3.944 3.792 4.245 . 0 0 "[ . 1 . 2]" 1
2059 1 86 THR H 1 89 VAL H . . 5.030 4.721 4.652 4.845 . 0 0 "[ . 1 . 2]" 1
2060 1 86 THR H 1 89 VAL HB . . 5.480 5.216 5.107 5.367 . 0 0 "[ . 1 . 2]" 1
2061 1 86 THR HA 1 86 THR MG . . 3.060 2.353 2.280 2.477 . 0 0 "[ . 1 . 2]" 1
2062 1 86 THR HA 1 88 LEU H . . 4.630 4.438 4.164 4.619 . 0 0 "[ . 1 . 2]" 1
2063 1 86 THR HA 1 89 VAL H . . 4.300 4.040 3.813 4.186 . 0 0 "[ . 1 . 2]" 1
2064 1 86 THR HA 1 89 VAL HB . . 3.540 3.231 3.042 3.375 . 0 0 "[ . 1 . 2]" 1
2065 1 86 THR HA 1 89 VAL MG1 . . 4.780 4.513 4.388 4.662 . 0 0 "[ . 1 . 2]" 1
2066 1 86 THR HA 1 89 VAL MG2 . . 3.960 3.768 3.544 3.898 . 0 0 "[ . 1 . 2]" 1
2067 1 86 THR HA 1 90 GLU H . . 4.390 3.491 3.264 3.625 . 0 0 "[ . 1 . 2]" 1
2068 1 86 THR HA 1 93 LYS HE2 . . 5.500 5.376 5.093 5.496 . 0 0 "[ . 1 . 2]" 1
2069 1 86 THR HB 1 87 ASP H . . 3.270 2.261 2.146 2.471 . 0 0 "[ . 1 . 2]" 1
2070 1 86 THR HB 1 87 ASP HB2 . . 4.840 3.992 3.862 4.284 . 0 0 "[ . 1 . 2]" 1
2071 1 86 THR HG1 1 87 ASP H . . 5.410 4.507 3.997 4.829 . 0 0 "[ . 1 . 2]" 1
2072 1 86 THR MG 1 87 ASP H . . 3.900 3.210 3.026 3.420 . 0 0 "[ . 1 . 2]" 1
2073 1 86 THR MG 1 87 ASP HA . . 3.910 3.440 3.203 3.663 . 0 0 "[ . 1 . 2]" 1
2074 1 86 THR MG 1 87 ASP HB3 . . 5.500 5.203 5.037 5.348 . 0 0 "[ . 1 . 2]" 1
2075 1 86 THR MG 1 89 VAL HB . . 4.780 4.597 4.319 4.765 . 0 0 "[ . 1 . 2]" 1
2076 1 86 THR MG 1 89 VAL MG1 . . 5.500 5.191 4.990 5.315 . 0 0 "[ . 1 . 2]" 1
2077 1 86 THR MG 1 89 VAL MG2 . . 5.400 5.147 4.948 5.265 . 0 0 "[ . 1 . 2]" 1
2078 1 86 THR MG 1 90 GLU H . . 4.280 3.939 3.602 4.146 . 0 0 "[ . 1 . 2]" 1
2079 1 86 THR MG 1 90 GLU HA . . 5.420 5.041 4.735 5.266 . 0 0 "[ . 1 . 2]" 1
2080 1 86 THR MG 1 90 GLU HB2 . . 4.200 3.523 3.179 3.733 . 0 0 "[ . 1 . 2]" 1
2081 1 86 THR MG 1 90 GLU HB3 . . 4.850 4.359 4.027 4.581 . 0 0 "[ . 1 . 2]" 1
2082 1 86 THR MG 1 90 GLU HG2 . . 3.840 3.376 2.471 3.796 . 0 0 "[ . 1 . 2]" 1
2083 1 86 THR MG 1 90 GLU QG . . 3.200 2.187 1.888 2.372 . 0 0 "[ . 1 . 2]" 1
2084 1 86 THR MG 1 90 GLU HG3 . . 3.840 2.221 1.959 2.396 . 0 0 "[ . 1 . 2]" 1
2085 1 87 ASP H 1 87 ASP HB2 . . 3.270 2.335 2.202 2.584 . 0 0 "[ . 1 . 2]" 1
2086 1 87 ASP H 1 87 ASP HB3 . . 3.570 2.876 2.500 3.527 . 0 0 "[ . 1 . 2]" 1
2087 1 87 ASP H 1 88 LEU H . . 3.270 2.677 2.568 2.780 . 0 0 "[ . 1 . 2]" 1
2088 1 87 ASP H 1 88 LEU HB3 . . 5.130 4.947 4.799 5.082 . 0 0 "[ . 1 . 2]" 1
2089 1 87 ASP H 1 89 VAL H . . 4.790 4.690 4.550 4.790 . 0 0 "[ . 1 . 2]" 1
2090 1 87 ASP H 1 90 GLU H . . 5.500 4.938 4.878 5.007 . 0 0 "[ . 1 . 2]" 1
2091 1 87 ASP HA 1 90 GLU H . . 4.450 4.242 4.115 4.389 . 0 0 "[ . 1 . 2]" 1
2092 1 87 ASP HA 1 90 GLU HB2 . . 3.700 2.871 2.705 2.993 . 0 0 "[ . 1 . 2]" 1
2093 1 87 ASP HA 1 90 GLU HB3 . . 4.480 4.307 4.070 4.453 . 0 0 "[ . 1 . 2]" 1
2094 1 87 ASP HA 1 91 HIS H . . 4.310 3.767 3.589 4.008 . 0 0 "[ . 1 . 2]" 1
2095 1 87 ASP HB2 1 88 LEU H . . 4.020 3.616 2.836 3.931 . 0 0 "[ . 1 . 2]" 1
2096 1 87 ASP HB3 1 88 LEU H . . 3.770 2.827 2.554 3.556 . 0 0 "[ . 1 . 2]" 1
2097 1 88 LEU H 1 88 LEU HB2 . . 3.100 2.493 2.370 2.609 . 0 0 "[ . 1 . 2]" 1
2098 1 88 LEU H 1 88 LEU HB3 . . 3.020 2.533 2.413 2.649 . 0 0 "[ . 1 . 2]" 1
2099 1 88 LEU H 1 88 LEU MD1 . . 4.180 4.157 4.076 4.213 0.033 8 0 "[ . 1 . 2]" 1
2100 1 88 LEU H 1 88 LEU MD2 . . 4.460 4.126 3.979 4.211 . 0 0 "[ . 1 . 2]" 1
2101 1 88 LEU H 1 88 LEU HG . . 4.650 4.455 4.395 4.486 . 0 0 "[ . 1 . 2]" 1
2102 1 88 LEU H 1 89 VAL H . . 3.240 2.844 2.761 2.927 . 0 0 "[ . 1 . 2]" 1
2103 1 88 LEU H 1 89 VAL MG2 . . 4.630 4.347 4.275 4.430 . 0 0 "[ . 1 . 2]" 1
2104 1 88 LEU H 1 90 GLU H . . 4.690 4.316 4.174 4.458 . 0 0 "[ . 1 . 2]" 1
2105 1 88 LEU H 1 91 HIS H . . 4.990 4.775 4.676 4.905 . 0 0 "[ . 1 . 2]" 1
2106 1 88 LEU HA 1 88 LEU MD1 . . 3.800 3.576 3.563 3.588 . 0 0 "[ . 1 . 2]" 1
2107 1 88 LEU HA 1 88 LEU MD2 . . 3.930 3.319 3.238 3.474 . 0 0 "[ . 1 . 2]" 1
2108 1 88 LEU HA 1 88 LEU HG . . 3.270 2.464 2.392 2.570 . 0 0 "[ . 1 . 2]" 1
2109 1 88 LEU HA 1 91 HIS H . . 4.270 4.044 3.893 4.187 . 0 0 "[ . 1 . 2]" 1
2110 1 88 LEU HA 1 91 HIS HB2 . . 4.580 4.395 4.178 4.575 . 0 0 "[ . 1 . 2]" 1
2111 1 88 LEU HA 1 91 HIS HB3 . . 3.940 3.126 3.005 3.344 . 0 0 "[ . 1 . 2]" 1
2112 1 88 LEU HA 1 92 PHE H . . 4.740 4.678 4.508 4.740 0.000 14 0 "[ . 1 . 2]" 1
2113 1 88 LEU HA 1 92 PHE HB2 . . 5.360 5.063 4.755 5.233 . 0 0 "[ . 1 . 2]" 1
2114 1 88 LEU HA 1 92 PHE QD . . 4.740 3.998 3.449 4.262 . 0 0 "[ . 1 . 2]" 1
2115 1 88 LEU HB2 1 88 LEU MD1 . . 3.140 1.992 1.977 2.032 . 0 0 "[ . 1 . 2]" 1
2116 1 88 LEU HB2 1 89 VAL H . . 4.260 3.569 3.478 3.705 . 0 0 "[ . 1 . 2]" 1
2117 1 88 LEU HB2 1 89 VAL MG2 . . 4.630 4.523 4.424 4.580 . 0 0 "[ . 1 . 2]" 1
2118 1 88 LEU HB2 1 92 PHE QD . . 5.490 5.007 4.596 5.195 . 0 0 "[ . 1 . 2]" 1
2119 1 88 LEU HB3 1 88 LEU MD1 . . 3.430 2.663 2.622 2.686 . 0 0 "[ . 1 . 2]" 1
2120 1 88 LEU HB3 1 88 LEU MD2 . . 3.630 2.201 2.019 2.231 . 0 0 "[ . 1 . 2]" 1
2121 1 88 LEU HB3 1 89 VAL H . . 3.870 2.081 2.006 2.228 . 0 0 "[ . 1 . 2]" 1
2122 1 88 LEU HB3 1 89 VAL MG2 . . 4.680 2.957 2.834 3.033 . 0 0 "[ . 1 . 2]" 1
2123 1 88 LEU HB3 1 92 PHE QD . . 4.940 4.407 4.136 4.757 . 0 0 "[ . 1 . 2]" 1
2124 1 88 LEU MD1 1 89 VAL H . . 4.380 4.293 4.225 4.379 . 0 0 "[ . 1 . 2]" 1
2125 1 88 LEU MD1 1 89 VAL HA . . 5.460 5.180 5.093 5.260 . 0 0 "[ . 1 . 2]" 1
2126 1 88 LEU MD1 1 92 PHE QD . . 4.230 4.006 3.825 4.231 0.001 4 0 "[ . 1 . 2]" 1
2127 1 88 LEU MD2 1 89 VAL H . . 3.540 2.581 2.454 2.735 . 0 0 "[ . 1 . 2]" 1
2128 1 88 LEU MD2 1 89 VAL HA . . 3.360 2.431 2.322 2.554 . 0 0 "[ . 1 . 2]" 1
2129 1 88 LEU MD2 1 89 VAL MG2 . . 3.280 2.365 1.934 2.701 . 0 0 "[ . 1 . 2]" 1
2130 1 88 LEU MD2 1 92 PHE H . . 4.550 4.381 4.221 4.482 . 0 0 "[ . 1 . 2]" 1
2131 1 88 LEU MD2 1 92 PHE HB2 . . 4.350 3.283 3.118 3.403 . 0 0 "[ . 1 . 2]" 1
2132 1 88 LEU MD2 1 92 PHE HB3 . . 5.500 4.348 4.166 4.487 . 0 0 "[ . 1 . 2]" 1
2133 1 88 LEU MD2 1 92 PHE QD . . 3.280 1.899 1.798 2.108 . 0 0 "[ . 1 . 2]" 1
2134 1 88 LEU MD2 1 92 PHE QE . . 3.830 2.476 1.996 3.174 . 0 0 "[ . 1 . 2]" 1
2135 1 88 LEU HG 1 89 VAL H . . 4.310 4.189 4.071 4.311 0.001 18 0 "[ . 1 . 2]" 1
2136 1 88 LEU HG 1 92 PHE QD . . 3.590 2.882 2.448 3.232 . 0 0 "[ . 1 . 2]" 1
2137 1 88 LEU HG 1 92 PHE QE . . 3.690 2.619 2.177 2.844 . 0 0 "[ . 1 . 2]" 1
2138 1 89 VAL H 1 89 VAL HB . . 2.960 2.599 2.573 2.682 . 0 0 "[ . 1 . 2]" 1
2139 1 89 VAL H 1 89 VAL MG1 . . 3.870 3.765 3.763 3.767 . 0 0 "[ . 1 . 2]" 1
2140 1 89 VAL H 1 89 VAL MG2 . . 3.000 2.052 1.928 2.136 . 0 0 "[ . 1 . 2]" 1
2141 1 89 VAL H 1 90 GLU H . . 3.380 2.975 2.910 3.054 . 0 0 "[ . 1 . 2]" 1
2142 1 89 VAL H 1 91 HIS H . . 5.500 4.556 4.417 4.725 . 0 0 "[ . 1 . 2]" 1
2143 1 89 VAL H 1 92 PHE H . . 4.830 4.794 4.647 4.838 0.008 13 0 "[ . 1 . 2]" 1
2144 1 89 VAL HA 1 89 VAL MG1 . . 3.040 2.443 2.358 2.470 . 0 0 "[ . 1 . 2]" 1
2145 1 89 VAL HA 1 89 VAL MG2 . . 2.950 2.398 2.365 2.436 . 0 0 "[ . 1 . 2]" 1
2146 1 89 VAL HA 1 91 HIS H . . 4.880 4.769 4.589 4.881 0.001 19 0 "[ . 1 . 2]" 1
2147 1 89 VAL HA 1 92 PHE H . . 3.570 3.441 3.363 3.528 . 0 0 "[ . 1 . 2]" 1
2148 1 89 VAL HA 1 92 PHE HB2 . . 4.120 2.413 2.347 2.534 . 0 0 "[ . 1 . 2]" 1
2149 1 89 VAL HA 1 92 PHE QD . . 4.430 3.046 2.885 3.308 . 0 0 "[ . 1 . 2]" 1
2150 1 89 VAL HA 1 93 LYS H . . 4.550 4.325 4.171 4.510 . 0 0 "[ . 1 . 2]" 1
2151 1 89 VAL HA 1 107 LEU MD1 . . 4.260 4.156 3.984 4.252 . 0 0 "[ . 1 . 2]" 1
2152 1 89 VAL HB 1 90 GLU H . . 3.330 2.222 2.098 2.297 . 0 0 "[ . 1 . 2]" 1
2153 1 89 VAL HB 1 91 HIS H . . 5.500 5.086 4.951 5.219 . 0 0 "[ . 1 . 2]" 1
2154 1 89 VAL MG1 1 90 GLU H . . 3.730 3.147 3.100 3.210 . 0 0 "[ . 1 . 2]" 1
2155 1 89 VAL MG1 1 90 GLU HA . . 3.890 3.360 3.222 3.486 . 0 0 "[ . 1 . 2]" 1
2156 1 89 VAL MG1 1 90 GLU HB2 . . 5.010 4.979 4.886 5.016 0.006 1 0 "[ . 1 . 2]" 1
2157 1 89 VAL MG1 1 90 GLU QG . . 4.420 3.841 3.749 4.022 . 0 0 "[ . 1 . 2]" 1
2158 1 89 VAL MG1 1 92 PHE H . . 4.220 4.137 4.082 4.190 . 0 0 "[ . 1 . 2]" 1
2159 1 89 VAL MG1 1 92 PHE HB2 . . 4.280 3.748 3.594 3.892 . 0 0 "[ . 1 . 2]" 1
2160 1 89 VAL MG1 1 93 LYS H . . 4.000 3.732 3.554 3.917 . 0 0 "[ . 1 . 2]" 1
2161 1 89 VAL MG1 1 93 LYS HB2 . . 4.610 4.166 4.081 4.271 . 0 0 "[ . 1 . 2]" 1
2162 1 89 VAL MG1 1 93 LYS HB3 . . 4.920 4.405 4.305 4.492 . 0 0 "[ . 1 . 2]" 1
2163 1 89 VAL MG1 1 93 LYS HD2 . . 3.780 3.693 3.556 3.788 0.008 3 0 "[ . 1 . 2]" 1
2164 1 89 VAL MG1 1 93 LYS QD . . 3.300 2.376 2.228 2.503 . 0 0 "[ . 1 . 2]" 1
2165 1 89 VAL MG1 1 93 LYS HD3 . . 3.780 2.406 2.251 2.541 . 0 0 "[ . 1 . 2]" 1
2166 1 89 VAL MG1 1 93 LYS HE2 . . 3.660 2.898 2.635 3.062 . 0 0 "[ . 1 . 2]" 1
2167 1 89 VAL MG1 1 93 LYS HE3 . . 4.320 3.984 3.804 4.187 . 0 0 "[ . 1 . 2]" 1
2168 1 89 VAL MG1 1 93 LYS HG2 . . 3.920 2.343 2.191 2.461 . 0 0 "[ . 1 . 2]" 1
2169 1 89 VAL MG1 1 93 LYS HG3 . . 3.440 2.110 1.994 2.348 . 0 0 "[ . 1 . 2]" 1
2170 1 89 VAL MG1 1 107 LEU HB2 . . 4.760 3.697 3.457 3.841 . 0 0 "[ . 1 . 2]" 1
2171 1 89 VAL MG2 1 90 GLU H . . 4.180 3.699 3.627 3.750 . 0 0 "[ . 1 . 2]" 1
2172 1 89 VAL MG2 1 92 PHE HB2 . . 4.670 4.376 4.314 4.483 . 0 0 "[ . 1 . 2]" 1
2173 1 89 VAL MG2 1 107 LEU MD1 . . 5.050 4.903 4.787 4.996 . 0 0 "[ . 1 . 2]" 1
2174 1 90 GLU H 1 90 GLU HB2 . . 3.020 2.417 2.346 2.475 . 0 0 "[ . 1 . 2]" 1
2175 1 90 GLU H 1 90 GLU HG2 . . 3.500 3.020 2.263 3.484 . 0 0 "[ . 1 . 2]" 1
2176 1 90 GLU H 1 90 GLU HG3 . . 3.500 2.817 2.415 3.494 . 0 0 "[ . 1 . 2]" 1
2177 1 90 GLU H 1 91 HIS H . . 3.300 3.061 2.983 3.128 . 0 0 "[ . 1 . 2]" 1
2178 1 90 GLU H 1 92 PHE H . . 4.860 3.948 3.918 3.988 . 0 0 "[ . 1 . 2]" 1
2179 1 90 GLU H 1 93 LYS HE2 . . 4.480 3.717 3.583 3.896 . 0 0 "[ . 1 . 2]" 1
2180 1 90 GLU HA 1 90 GLU HG2 . . 3.900 2.382 2.194 2.718 . 0 0 "[ . 1 . 2]" 1
2181 1 90 GLU HA 1 90 GLU HG3 . . 3.900 3.324 3.039 3.729 . 0 0 "[ . 1 . 2]" 1
2182 1 90 GLU HA 1 91 HIS HA . . 5.500 4.799 4.773 4.824 . 0 0 "[ . 1 . 2]" 1
2183 1 90 GLU HA 1 93 LYS H . . 3.900 3.157 3.058 3.262 . 0 0 "[ . 1 . 2]" 1
2184 1 90 GLU HA 1 93 LYS HA . . 5.040 5.002 4.913 5.049 0.009 13 0 "[ . 1 . 2]" 1
2185 1 90 GLU HA 1 93 LYS HB2 . . 3.480 2.644 2.504 2.747 . 0 0 "[ . 1 . 2]" 1
2186 1 90 GLU HA 1 93 LYS HB3 . . 4.130 4.045 3.940 4.124 . 0 0 "[ . 1 . 2]" 1
2187 1 90 GLU HA 1 93 LYS QD . . 3.900 3.645 3.569 3.721 . 0 0 "[ . 1 . 2]" 1
2188 1 90 GLU HA 1 93 LYS HE2 . . 4.270 2.356 2.159 2.537 . 0 0 "[ . 1 . 2]" 1
2189 1 90 GLU HA 1 93 LYS HE3 . . 4.140 2.502 2.252 2.803 . 0 0 "[ . 1 . 2]" 1
2190 1 90 GLU HA 1 93 LYS HG2 . . 4.130 3.783 3.737 3.880 . 0 0 "[ . 1 . 2]" 1
2191 1 90 GLU HA 1 93 LYS HG3 . . 3.160 2.039 2.001 2.143 . 0 0 "[ . 1 . 2]" 1
2192 1 90 GLU HA 1 94 LYS H . . 5.060 4.841 4.668 4.999 . 0 0 "[ . 1 . 2]" 1
2193 1 90 GLU HB2 1 91 HIS H . . 3.420 2.382 2.291 2.483 . 0 0 "[ . 1 . 2]" 1
2194 1 90 GLU HB2 1 91 HIS HA . . 5.500 4.472 4.383 4.580 . 0 0 "[ . 1 . 2]" 1
2195 1 90 GLU HB2 1 91 HIS HB2 . . 5.500 4.454 4.346 4.583 . 0 0 "[ . 1 . 2]" 1
2196 1 90 GLU HB2 1 93 LYS H . . 5.430 5.193 5.150 5.273 . 0 0 "[ . 1 . 2]" 1
2197 1 90 GLU HB3 1 91 HIS H . . 3.990 3.099 2.893 3.283 . 0 0 "[ . 1 . 2]" 1
2198 1 90 GLU HB3 1 91 HIS HA . . 4.980 4.075 3.954 4.171 . 0 0 "[ . 1 . 2]" 1
2199 1 90 GLU HB3 1 91 HIS HB2 . . 5.480 4.846 4.640 4.983 . 0 0 "[ . 1 . 2]" 1
2200 1 90 GLU HB3 1 93 LYS HE3 . . 4.780 4.270 4.072 4.480 . 0 0 "[ . 1 . 2]" 1
2201 1 90 GLU QG 1 91 HIS H . . 4.620 4.086 4.019 4.171 . 0 0 "[ . 1 . 2]" 1
2202 1 91 HIS H 1 91 HIS HB2 . . 3.010 2.644 2.589 2.739 . 0 0 "[ . 1 . 2]" 1
2203 1 91 HIS H 1 91 HIS HB3 . . 3.010 2.422 2.336 2.476 . 0 0 "[ . 1 . 2]" 1
2204 1 91 HIS H 1 91 HIS HD2 . . 5.030 4.926 4.788 4.997 . 0 0 "[ . 1 . 2]" 1
2205 1 91 HIS H 1 92 PHE H . . 3.270 2.700 2.639 2.760 . 0 0 "[ . 1 . 2]" 1
2206 1 91 HIS H 1 92 PHE HB2 . . 5.500 4.642 4.571 4.719 . 0 0 "[ . 1 . 2]" 1
2207 1 91 HIS H 1 93 LYS H . . 4.500 4.038 3.939 4.136 . 0 0 "[ . 1 . 2]" 1
2208 1 91 HIS H 1 94 LYS QD . . 5.500 5.146 4.405 5.493 . 0 0 "[ . 1 . 2]" 1
2209 1 91 HIS H 1 94 LYS HG2 . . 5.050 4.901 4.696 5.052 0.002 11 0 "[ . 1 . 2]" 1
2210 1 91 HIS HA 1 91 HIS HD2 . . 4.680 4.205 4.062 4.346 . 0 0 "[ . 1 . 2]" 1
2211 1 91 HIS HA 1 92 PHE HA . . 4.690 4.629 4.627 4.630 . 0 0 "[ . 1 . 2]" 1
2212 1 91 HIS HA 1 92 PHE HB2 . . 5.500 5.585 5.573 5.598 0.098 18 0 "[ . 1 . 2]" 1
2213 1 91 HIS HA 1 94 LYS H . . 4.210 3.982 3.923 4.038 . 0 0 "[ . 1 . 2]" 1
2214 1 91 HIS HA 1 94 LYS QD . . 3.940 2.897 2.082 3.432 . 0 0 "[ . 1 . 2]" 1
2215 1 91 HIS HA 1 94 LYS QE . . 3.900 2.631 2.071 3.903 0.003 8 0 "[ . 1 . 2]" 1
2216 1 91 HIS HB2 1 92 PHE H . . 4.430 4.209 4.173 4.260 . 0 0 "[ . 1 . 2]" 1
2217 1 91 HIS HB3 1 92 PHE H . . 3.170 3.092 3.020 3.138 . 0 0 "[ . 1 . 2]" 1
2218 1 91 HIS HB3 1 92 PHE QD . . 4.790 4.531 4.375 4.648 . 0 0 "[ . 1 . 2]" 1
2219 1 91 HIS HD2 1 92 PHE H . . 4.030 3.930 3.750 4.015 . 0 0 "[ . 1 . 2]" 1
2220 1 91 HIS HD2 1 92 PHE QD . . 4.240 3.655 3.532 3.773 . 0 0 "[ . 1 . 2]" 1
2221 1 91 HIS HD2 1 92 PHE QE . . 4.780 4.017 3.855 4.143 . 0 0 "[ . 1 . 2]" 1
2222 1 91 HIS HD2 1 95 THR MG . . 4.530 3.534 2.987 4.012 . 0 0 "[ . 1 . 2]" 1
2223 1 91 HIS HE1 1 95 THR MG . . 3.690 3.542 3.242 3.669 . 0 0 "[ . 1 . 2]" 1
2224 1 92 PHE H 1 92 PHE HB2 . . 3.070 2.229 2.224 2.231 . 0 0 "[ . 1 . 2]" 1
2225 1 92 PHE H 1 92 PHE HB3 . . 3.760 3.485 3.479 3.489 . 0 0 "[ . 1 . 2]" 1
2226 1 92 PHE H 1 92 PHE QD . . 3.870 3.642 3.574 3.690 . 0 0 "[ . 1 . 2]" 1
2227 1 92 PHE H 1 93 LYS H . . 3.250 2.207 2.192 2.246 . 0 0 "[ . 1 . 2]" 1
2228 1 92 PHE H 1 93 LYS HB2 . . 4.650 4.452 4.402 4.509 . 0 0 "[ . 1 . 2]" 1
2229 1 92 PHE H 1 93 LYS HG2 . . 4.730 4.651 4.562 4.731 0.001 2 0 "[ . 1 . 2]" 1
2230 1 92 PHE H 1 93 LYS HG3 . . 4.660 3.809 3.750 3.885 . 0 0 "[ . 1 . 2]" 1
2231 1 92 PHE H 1 94 LYS H . . 4.990 3.935 3.804 4.029 . 0 0 "[ . 1 . 2]" 1
2232 1 92 PHE H 1 95 THR MG . . 5.500 5.211 4.990 5.383 . 0 0 "[ . 1 . 2]" 1
2233 1 92 PHE H 1 107 LEU MD1 . . 4.510 4.376 4.197 4.490 . 0 0 "[ . 1 . 2]" 1
2234 1 92 PHE HA 1 92 PHE QD . . 3.220 2.106 2.015 2.233 . 0 0 "[ . 1 . 2]" 1
2235 1 92 PHE HA 1 94 LYS H . . 4.040 3.639 3.577 3.714 . 0 0 "[ . 1 . 2]" 1
2236 1 92 PHE HA 1 95 THR H . . 3.390 3.107 2.983 3.208 . 0 0 "[ . 1 . 2]" 1
2237 1 92 PHE HA 1 95 THR HB . . 4.730 4.500 4.275 4.649 . 0 0 "[ . 1 . 2]" 1
2238 1 92 PHE HA 1 95 THR MG . . 4.080 3.851 3.701 4.052 . 0 0 "[ . 1 . 2]" 1
2239 1 92 PHE HA 1 96 GLY H . . 3.460 2.285 2.106 2.535 . 0 0 "[ . 1 . 2]" 1
2240 1 92 PHE HA 1 97 ILE MD . . 5.200 4.867 4.457 5.087 . 0 0 "[ . 1 . 2]" 1
2241 1 92 PHE HA 1 97 ILE HG13 . . 4.890 4.213 3.940 4.416 . 0 0 "[ . 1 . 2]" 1
2242 1 92 PHE HA 1 107 LEU MD1 . . 4.680 3.890 3.773 4.149 . 0 0 "[ . 1 . 2]" 1
2243 1 92 PHE HB2 1 93 LYS H . . 3.960 3.276 3.057 3.451 . 0 0 "[ . 1 . 2]" 1
2244 1 92 PHE HB2 1 96 GLY H . . 5.060 4.865 4.724 4.999 . 0 0 "[ . 1 . 2]" 1
2245 1 92 PHE HB2 1 97 ILE MD . . 3.910 3.679 3.096 3.913 0.003 16 0 "[ . 1 . 2]" 1
2246 1 92 PHE HB2 1 97 ILE HG13 . . 4.410 4.265 4.020 4.411 0.001 11 0 "[ . 1 . 2]" 1
2247 1 92 PHE HB2 1 107 LEU MD1 . . 3.440 3.229 3.091 3.380 . 0 0 "[ . 1 . 2]" 1
2248 1 92 PHE HB2 1 107 LEU MD2 . . 4.080 3.593 3.396 3.833 . 0 0 "[ . 1 . 2]" 1
2249 1 92 PHE HB3 1 93 LYS H . . 4.630 3.707 3.496 3.861 . 0 0 "[ . 1 . 2]" 1
2250 1 92 PHE HB3 1 96 GLY H . . 4.510 3.835 3.682 4.004 . 0 0 "[ . 1 . 2]" 1
2251 1 92 PHE HB3 1 97 ILE HB . . 5.350 5.168 4.757 5.347 . 0 0 "[ . 1 . 2]" 1
2252 1 92 PHE HB3 1 97 ILE MD . . 3.640 2.850 2.301 3.161 . 0 0 "[ . 1 . 2]" 1
2253 1 92 PHE HB3 1 97 ILE HG12 . . 4.630 4.118 3.756 4.489 . 0 0 "[ . 1 . 2]" 1
2254 1 92 PHE HB3 1 97 ILE HG13 . . 3.840 2.901 2.605 3.142 . 0 0 "[ . 1 . 2]" 1
2255 1 92 PHE HB3 1 107 LEU HB2 . . 5.500 4.670 4.379 4.879 . 0 0 "[ . 1 . 2]" 1
2256 1 92 PHE HB3 1 107 LEU MD1 . . 3.420 2.125 1.932 2.386 . 0 0 "[ . 1 . 2]" 1
2257 1 92 PHE HB3 1 107 LEU MD2 . . 4.170 3.207 3.026 3.548 . 0 0 "[ . 1 . 2]" 1
2258 1 92 PHE QD 1 95 THR HB . . 4.550 4.491 4.262 4.553 0.003 1 0 "[ . 1 . 2]" 1
2259 1 92 PHE QD 1 95 THR HG1 . . 4.380 3.004 2.400 3.479 . 0 0 "[ . 1 . 2]" 1
2260 1 92 PHE QD 1 95 THR MG . . 4.850 4.616 4.385 4.844 . 0 0 "[ . 1 . 2]" 1
2261 1 92 PHE QD 1 96 GLY H . . 4.300 2.616 2.288 3.146 . 0 0 "[ . 1 . 2]" 1
2262 1 92 PHE QD 1 96 GLY HA2 . . 4.730 3.435 3.039 3.891 . 0 0 "[ . 1 . 2]" 1
2263 1 92 PHE QD 1 97 ILE HA . . 4.590 3.498 3.311 3.693 . 0 0 "[ . 1 . 2]" 1
2264 1 92 PHE QD 1 97 ILE HB . . 5.500 4.875 4.633 5.114 . 0 0 "[ . 1 . 2]" 1
2265 1 92 PHE QD 1 97 ILE MD . . 3.950 3.263 3.005 3.566 . 0 0 "[ . 1 . 2]" 1
2266 1 92 PHE QD 1 97 ILE HG12 . . 3.860 3.326 3.034 3.559 . 0 0 "[ . 1 . 2]" 1
2267 1 92 PHE QD 1 97 ILE HG13 . . 3.550 2.584 2.263 2.889 . 0 0 "[ . 1 . 2]" 1
2268 1 92 PHE QD 1 97 ILE MG . . 4.720 4.530 4.349 4.664 . 0 0 "[ . 1 . 2]" 1
2269 1 92 PHE QD 1 107 LEU MD1 . . 4.270 3.819 3.654 3.998 . 0 0 "[ . 1 . 2]" 1
2270 1 92 PHE QE 1 95 THR MG . . 5.500 5.334 5.094 5.500 . 17 0 "[ . 1 . 2]" 1
2271 1 92 PHE QE 1 97 ILE HA . . 4.760 2.937 2.515 3.445 . 0 0 "[ . 1 . 2]" 1
2272 1 92 PHE QE 1 97 ILE MD . . 4.510 3.785 3.517 4.169 . 0 0 "[ . 1 . 2]" 1
2273 1 92 PHE QE 1 97 ILE HG12 . . 4.730 3.009 2.818 3.332 . 0 0 "[ . 1 . 2]" 1
2274 1 92 PHE QE 1 97 ILE MG . . 4.890 3.807 3.505 4.092 . 0 0 "[ . 1 . 2]" 1
2275 1 92 PHE QE 2 11 LEU QD . . 4.890 4.166 3.749 4.616 . 0 0 "[ . 1 . 2]" 1
2276 1 92 PHE HZ 2 11 LEU QD . . 5.020 3.819 3.325 4.276 . 0 0 "[ . 1 . 2]" 1
2277 1 93 LYS H 1 93 LYS HB2 . . 3.020 2.483 2.417 2.585 . 0 0 "[ . 1 . 2]" 1
2278 1 93 LYS H 1 93 LYS HB3 . . 3.730 3.598 3.591 3.613 . 0 0 "[ . 1 . 2]" 1
2279 1 93 LYS H 1 93 LYS HE3 . . 4.720 4.473 4.332 4.617 . 0 0 "[ . 1 . 2]" 1
2280 1 93 LYS H 1 93 LYS HG2 . . 3.790 3.057 2.810 3.184 . 0 0 "[ . 1 . 2]" 1
2281 1 93 LYS H 1 93 LYS HG3 . . 3.250 2.491 2.319 2.613 . 0 0 "[ . 1 . 2]" 1
2282 1 93 LYS H 1 94 LYS H . . 3.250 2.509 2.401 2.618 . 0 0 "[ . 1 . 2]" 1
2283 1 93 LYS H 1 95 THR H . . 4.500 4.046 3.919 4.256 . 0 0 "[ . 1 . 2]" 1
2284 1 93 LYS H 1 107 LEU HB2 . . 4.640 4.277 4.120 4.465 . 0 0 "[ . 1 . 2]" 1
2285 1 93 LYS H 1 107 LEU MD1 . . 4.140 3.490 3.243 3.691 . 0 0 "[ . 1 . 2]" 1
2286 1 93 LYS HA 1 93 LYS QD . . 4.130 3.660 3.635 3.692 . 0 0 "[ . 1 . 2]" 1
2287 1 93 LYS HA 1 93 LYS HG2 . . 3.370 2.403 2.349 2.471 . 0 0 "[ . 1 . 2]" 1
2288 1 93 LYS HA 1 93 LYS HG3 . . 3.630 3.429 3.391 3.488 . 0 0 "[ . 1 . 2]" 1
2289 1 93 LYS HA 1 107 LEU H . . 3.930 3.086 2.952 3.220 . 0 0 "[ . 1 . 2]" 1
2290 1 93 LYS HA 1 107 LEU HA . . 4.960 4.749 4.569 4.845 . 0 0 "[ . 1 . 2]" 1
2291 1 93 LYS HA 1 107 LEU HB2 . . 3.220 2.109 2.016 2.161 . 0 0 "[ . 1 . 2]" 1
2292 1 93 LYS HA 1 107 LEU HB3 . . 3.900 3.853 3.766 3.904 0.004 19 0 "[ . 1 . 2]" 1
2293 1 93 LYS HA 1 107 LEU MD1 . . 3.960 2.181 2.012 2.491 . 0 0 "[ . 1 . 2]" 1
2294 1 93 LYS HA 1 107 LEU MD2 . . 4.460 3.942 3.808 4.105 . 0 0 "[ . 1 . 2]" 1
2295 1 93 LYS HA 1 107 LEU HG . . 4.670 4.550 4.379 4.652 . 0 0 "[ . 1 . 2]" 1
2296 1 93 LYS HB2 1 93 LYS HE2 . . 3.730 3.566 3.337 3.723 . 0 0 "[ . 1 . 2]" 1
2297 1 93 LYS HB2 1 93 LYS HE3 . . 3.450 2.479 2.339 2.619 . 0 0 "[ . 1 . 2]" 1
2298 1 93 LYS HB2 1 107 LEU MD1 . . 4.680 4.567 4.292 4.677 . 0 0 "[ . 1 . 2]" 1
2299 1 93 LYS HB3 1 93 LYS QD . . 3.170 2.130 2.071 2.170 . 0 0 "[ . 1 . 2]" 1
2300 1 93 LYS HB3 1 93 LYS HE2 . . 4.220 4.046 3.893 4.157 . 0 0 "[ . 1 . 2]" 1
2301 1 93 LYS HB3 1 93 LYS HE3 . . 3.770 2.906 2.748 3.078 . 0 0 "[ . 1 . 2]" 1
2302 1 93 LYS HB3 1 107 LEU HB3 . . 5.280 4.498 4.272 4.694 . 0 0 "[ . 1 . 2]" 1
2303 1 93 LYS QD 1 107 LEU HB3 . . 4.110 3.222 2.999 3.415 . 0 0 "[ . 1 . 2]" 1
2304 1 93 LYS QD 1 107 LEU MD2 . . 4.930 3.475 3.169 3.748 . 0 0 "[ . 1 . 2]" 1
2305 1 93 LYS HE2 1 93 LYS HG2 . . 3.860 3.632 3.561 3.711 . 0 0 "[ . 1 . 2]" 1
2306 1 93 LYS HE2 1 93 LYS HG3 . . 3.760 2.472 2.358 2.583 . 0 0 "[ . 1 . 2]" 1
2307 1 93 LYS HG2 1 107 LEU HB3 . . 4.120 2.903 2.822 3.072 . 0 0 "[ . 1 . 2]" 1
2308 1 93 LYS HG2 1 107 LEU MD1 . . 4.030 2.881 2.605 3.074 . 0 0 "[ . 1 . 2]" 1
2309 1 93 LYS HG2 1 107 LEU MD2 . . 4.010 2.875 2.681 3.087 . 0 0 "[ . 1 . 2]" 1
2310 1 93 LYS HG3 1 107 LEU HB2 . . 4.160 3.764 3.722 3.923 . 0 0 "[ . 1 . 2]" 1
2311 1 93 LYS HG3 1 107 LEU MD1 . . 4.230 4.022 3.732 4.157 . 0 0 "[ . 1 . 2]" 1
2312 1 93 LYS HG3 1 107 LEU MD2 . . 4.840 3.952 3.790 4.153 . 0 0 "[ . 1 . 2]" 1
2313 1 94 LYS H 1 94 LYS HB2 . . 3.870 3.670 3.640 3.697 . 0 0 "[ . 1 . 2]" 1
2314 1 94 LYS H 1 94 LYS HB3 . . 3.190 3.049 2.975 3.142 . 0 0 "[ . 1 . 2]" 1
2315 1 94 LYS H 1 94 LYS QD . . 4.290 3.831 3.574 4.065 . 0 0 "[ . 1 . 2]" 1
2316 1 94 LYS H 1 94 LYS QE . . 4.730 4.188 3.481 4.745 0.015 13 0 "[ . 1 . 2]" 1
2317 1 94 LYS H 1 94 LYS HG2 . . 3.880 1.903 1.888 1.949 . 0 0 "[ . 1 . 2]" 1
2318 1 94 LYS H 1 94 LYS HG3 . . 3.280 2.966 2.747 3.272 . 0 0 "[ . 1 . 2]" 1
2319 1 94 LYS H 1 95 THR H . . 3.000 2.093 2.062 2.165 . 0 0 "[ . 1 . 2]" 1
2320 1 94 LYS H 1 95 THR HA . . 4.840 4.814 4.793 4.846 0.006 12 0 "[ . 1 . 2]" 1
2321 1 94 LYS H 1 95 THR MG . . 3.980 3.942 3.780 3.989 0.009 8 0 "[ . 1 . 2]" 1
2322 1 94 LYS H 1 96 GLY H . . 4.170 3.829 3.478 4.153 . 0 0 "[ . 1 . 2]" 1
2323 1 94 LYS HA 1 94 LYS QD . . 4.410 4.301 4.246 4.411 0.001 14 0 "[ . 1 . 2]" 1
2324 1 94 LYS HA 1 94 LYS HG2 . . 3.660 3.665 3.641 3.694 0.034 11 0 "[ . 1 . 2]" 1
2325 1 94 LYS HA 1 94 LYS HG3 . . 4.120 3.831 3.812 3.881 . 0 0 "[ . 1 . 2]" 1
2326 1 94 LYS HA 1 95 THR MG . . 4.900 4.702 4.554 4.810 . 0 0 "[ . 1 . 2]" 1
2327 1 94 LYS HB2 1 95 THR H . . 3.740 3.648 3.404 3.746 0.006 13 0 "[ . 1 . 2]" 1
2328 1 94 LYS HB2 1 95 THR HA . . 4.650 4.412 4.238 4.516 . 0 0 "[ . 1 . 2]" 1
2329 1 94 LYS HB2 1 95 THR MG . . 3.700 3.588 3.401 3.703 0.003 15 0 "[ . 1 . 2]" 1
2330 1 94 LYS HB3 1 94 LYS QD . . 3.370 2.400 2.128 2.620 . 0 0 "[ . 1 . 2]" 1
2331 1 94 LYS HB3 1 95 THR H . . 4.270 4.012 3.930 4.104 . 0 0 "[ . 1 . 2]" 1
2332 1 94 LYS QD 1 94 LYS HG3 . . 2.780 2.391 2.156 2.479 . 0 0 "[ . 1 . 2]" 1
2333 1 94 LYS QD 1 95 THR H . . 4.900 4.194 4.001 4.359 . 0 0 "[ . 1 . 2]" 1
2334 1 94 LYS QD 1 95 THR MG . . 4.240 3.544 3.113 3.767 . 0 0 "[ . 1 . 2]" 1
2335 1 94 LYS QE 1 94 LYS HG2 . . 3.880 2.673 2.134 3.285 . 0 0 "[ . 1 . 2]" 1
2336 1 94 LYS QE 1 94 LYS HG3 . . 3.870 2.507 2.077 3.245 . 0 0 "[ . 1 . 2]" 1
2337 1 94 LYS QE 1 95 THR MG . . 4.450 3.170 2.354 4.449 . 0 0 "[ . 1 . 2]" 1
2338 1 94 LYS HG2 1 95 THR H . . 4.730 2.619 2.236 2.902 . 0 0 "[ . 1 . 2]" 1
2339 1 94 LYS HG2 1 95 THR HA . . 5.350 5.050 4.672 5.272 . 0 0 "[ . 1 . 2]" 1
2340 1 94 LYS HG2 1 95 THR MG . . 4.110 3.332 3.036 3.527 . 0 0 "[ . 1 . 2]" 1
2341 1 94 LYS HG3 1 95 THR H . . 4.620 2.323 1.997 2.607 . 0 0 "[ . 1 . 2]" 1
2342 1 94 LYS HG3 1 95 THR HA . . 4.560 3.806 3.690 3.964 . 0 0 "[ . 1 . 2]" 1
2343 1 94 LYS HG3 1 95 THR MG . . 4.520 1.998 1.959 2.173 . 0 0 "[ . 1 . 2]" 1
2344 1 95 THR H 1 95 THR HB . . 3.890 3.664 3.638 3.705 . 0 0 "[ . 1 . 2]" 1
2345 1 95 THR H 1 95 THR HG1 . . 4.500 2.726 2.006 3.619 . 0 0 "[ . 1 . 2]" 1
2346 1 95 THR H 1 95 THR MG . . 3.020 2.463 2.232 2.558 . 0 0 "[ . 1 . 2]" 1
2347 1 95 THR H 1 96 GLY H . . 3.010 2.553 2.346 2.693 . 0 0 "[ . 1 . 2]" 1
2348 1 95 THR H 1 96 GLY HA2 . . 4.810 4.605 4.504 4.735 . 0 0 "[ . 1 . 2]" 1
2349 1 95 THR HA 1 95 THR MG . . 2.830 2.387 2.311 2.447 . 0 0 "[ . 1 . 2]" 1
2350 1 95 THR HB 1 96 GLY H . . 4.350 3.369 3.141 3.712 . 0 0 "[ . 1 . 2]" 1
2351 1 95 THR HG1 1 96 GLY H . . 3.730 2.525 2.099 3.068 . 0 0 "[ . 1 . 2]" 1
2352 1 95 THR MG 1 96 GLY H . . 3.900 3.711 3.583 3.879 . 0 0 "[ . 1 . 2]" 1
2353 1 96 GLY H 1 97 ILE MD . . 5.500 5.412 5.089 5.497 . 0 0 "[ . 1 . 2]" 1
2354 1 96 GLY H 1 106 TYR QD . . 5.500 5.368 5.118 5.482 . 0 0 "[ . 1 . 2]" 1
2355 1 96 GLY HA2 1 97 ILE H . . 3.160 2.349 2.240 2.470 . 0 0 "[ . 1 . 2]" 1
2356 1 96 GLY HA2 1 97 ILE HB . . 4.750 4.628 4.533 4.752 0.002 9 0 "[ . 1 . 2]" 1
2357 1 96 GLY HA2 1 97 ILE MD . . 4.940 4.471 4.267 4.638 . 0 0 "[ . 1 . 2]" 1
2358 1 96 GLY HA2 1 104 PHE QD . . 5.440 5.110 4.677 5.343 . 0 0 "[ . 1 . 2]" 1
2359 1 96 GLY HA2 1 106 TYR QD . . 3.890 3.480 3.271 3.684 . 0 0 "[ . 1 . 2]" 1
2360 1 96 GLY HA2 1 106 TYR QE . . 5.110 4.798 4.522 5.106 . 0 0 "[ . 1 . 2]" 1
2361 1 96 GLY HA2 1 107 LEU H . . 4.510 4.126 3.846 4.438 . 0 0 "[ . 1 . 2]" 1
2362 1 96 GLY HA2 1 107 LEU MD1 . . 4.650 2.840 2.494 3.198 . 0 0 "[ . 1 . 2]" 1
2363 1 96 GLY HA3 1 97 ILE H . . 3.370 2.807 2.660 2.956 . 0 0 "[ . 1 . 2]" 1
2364 1 96 GLY HA3 1 97 ILE HA . . 4.730 4.504 4.427 4.587 . 0 0 "[ . 1 . 2]" 1
2365 1 96 GLY HA3 1 104 PHE QD . . 4.120 3.755 3.172 4.122 0.002 3 0 "[ . 1 . 2]" 1
2366 1 96 GLY HA3 1 104 PHE QE . . 5.290 5.013 4.755 5.248 . 0 0 "[ . 1 . 2]" 1
2367 1 96 GLY HA3 1 106 TYR QD . . 3.830 2.999 2.739 3.272 . 0 0 "[ . 1 . 2]" 1
2368 1 96 GLY HA3 1 106 TYR QE . . 3.910 3.455 3.287 3.638 . 0 0 "[ . 1 . 2]" 1
2369 1 97 ILE H 1 97 ILE HB . . 3.390 2.540 2.479 2.630 . 0 0 "[ . 1 . 2]" 1
2370 1 97 ILE H 1 97 ILE MD . . 3.920 3.561 3.344 3.858 . 0 0 "[ . 1 . 2]" 1
2371 1 97 ILE H 1 97 ILE HG12 . . 4.850 4.097 3.906 4.245 . 0 0 "[ . 1 . 2]" 1
2372 1 97 ILE H 1 97 ILE HG13 . . 3.770 2.752 2.491 2.975 . 0 0 "[ . 1 . 2]" 1
2373 1 97 ILE H 1 97 ILE MG . . 4.320 3.800 3.766 3.845 . 0 0 "[ . 1 . 2]" 1
2374 1 97 ILE H 1 104 PHE HB3 . . 5.390 5.116 4.865 5.345 . 0 0 "[ . 1 . 2]" 1
2375 1 97 ILE H 1 104 PHE QD . . 4.400 4.183 3.921 4.371 . 0 0 "[ . 1 . 2]" 1
2376 1 97 ILE H 1 105 VAL H . . 3.640 3.488 3.223 3.635 . 0 0 "[ . 1 . 2]" 1
2377 1 97 ILE H 1 105 VAL HB . . 4.060 3.227 2.927 3.517 . 0 0 "[ . 1 . 2]" 1
2378 1 97 ILE H 1 105 VAL MG1 . . 4.180 3.968 3.786 4.175 . 0 0 "[ . 1 . 2]" 1
2379 1 97 ILE HA 1 97 ILE MD . . 3.940 3.868 3.840 3.910 . 0 0 "[ . 1 . 2]" 1
2380 1 97 ILE HA 1 97 ILE HG12 . . 3.400 2.753 2.630 2.845 . 0 0 "[ . 1 . 2]" 1
2381 1 97 ILE HA 1 97 ILE HG13 . . 3.660 2.706 2.632 2.781 . 0 0 "[ . 1 . 2]" 1
2382 1 97 ILE HA 1 97 ILE MG . . 3.180 2.399 2.308 2.494 . 0 0 "[ . 1 . 2]" 1
2383 1 97 ILE HA 1 98 GLU H . . 2.810 2.198 2.146 2.261 . 0 0 "[ . 1 . 2]" 1
2384 1 97 ILE HA 1 98 GLU HA . . 4.590 4.386 4.374 4.415 . 0 0 "[ . 1 . 2]" 1
2385 1 97 ILE HA 1 98 GLU HB2 . . 4.660 4.596 4.533 4.665 0.005 20 0 "[ . 1 . 2]" 1
2386 1 97 ILE HA 1 98 GLU HB3 . . 4.510 4.436 4.334 4.514 0.004 6 0 "[ . 1 . 2]" 1
2387 1 97 ILE HA 1 104 PHE QD . . 5.500 4.860 4.703 4.973 . 0 0 "[ . 1 . 2]" 1
2388 1 97 ILE HA 1 104 PHE QE . . 5.240 5.143 4.901 5.235 . 0 0 "[ . 1 . 2]" 1
2389 1 97 ILE HA 2 11 LEU MD1 . . 5.500 5.028 3.423 5.501 0.001 4 0 "[ . 1 . 2]" 1
2390 1 97 ILE HA 2 11 LEU MD2 . . 5.500 4.607 3.663 5.433 . 0 0 "[ . 1 . 2]" 1
2391 1 97 ILE HB 1 97 ILE MD . . 3.040 2.174 2.102 2.284 . 0 0 "[ . 1 . 2]" 1
2392 1 97 ILE HB 1 98 GLU H . . 4.570 4.055 3.903 4.280 . 0 0 "[ . 1 . 2]" 1
2393 1 97 ILE HB 1 105 VAL H . . 4.210 3.440 3.184 3.709 . 0 0 "[ . 1 . 2]" 1
2394 1 97 ILE HB 1 105 VAL HB . . 3.040 2.289 2.044 2.528 . 0 0 "[ . 1 . 2]" 1
2395 1 97 ILE MD 1 105 VAL H . . 5.150 4.918 4.542 5.130 . 0 0 "[ . 1 . 2]" 1
2396 1 97 ILE MD 1 105 VAL HB . . 3.880 3.132 2.612 3.362 . 0 0 "[ . 1 . 2]" 1
2397 1 97 ILE MD 1 105 VAL MG1 . . 3.320 3.095 2.739 3.323 0.003 11 0 "[ . 1 . 2]" 1
2398 1 97 ILE MD 2 11 LEU MD1 . . 4.250 4.094 3.853 4.252 0.002 2 0 "[ . 1 . 2]" 1
2399 1 97 ILE MD 2 11 LEU MD2 . . 4.250 3.949 3.536 4.252 0.002 11 0 "[ . 1 . 2]" 1
2400 1 97 ILE HG12 1 98 GLU H . . 4.560 4.309 4.135 4.431 . 0 0 "[ . 1 . 2]" 1
2401 1 97 ILE HG13 1 97 ILE MG . . 3.740 3.156 3.135 3.186 . 0 0 "[ . 1 . 2]" 1
2402 1 97 ILE HG13 1 98 GLU H . . 4.790 4.740 4.668 4.791 0.001 9 0 "[ . 1 . 2]" 1
2403 1 97 ILE HG13 1 105 VAL HB . . 4.700 4.408 4.083 4.610 . 0 0 "[ . 1 . 2]" 1
2404 1 97 ILE MG 1 98 GLU H . . 3.470 2.251 1.945 2.557 . 0 0 "[ . 1 . 2]" 1
2405 1 97 ILE MG 1 98 GLU HA . . 4.490 3.651 3.453 3.828 . 0 0 "[ . 1 . 2]" 1
2406 1 97 ILE MG 1 98 GLU HB3 . . 4.730 4.187 4.057 4.322 . 0 0 "[ . 1 . 2]" 1
2407 1 97 ILE MG 1 99 GLU HA . . 4.720 3.816 3.499 4.148 . 0 0 "[ . 1 . 2]" 1
2408 1 97 ILE MG 1 99 GLU HG2 . . 4.910 3.681 2.981 4.418 . 0 0 "[ . 1 . 2]" 1
2409 1 97 ILE MG 1 99 GLU QG . . 4.290 3.137 2.883 3.552 . 0 0 "[ . 1 . 2]" 1
2410 1 97 ILE MG 1 99 GLU HG3 . . 4.910 3.619 2.926 4.855 . 0 0 "[ . 1 . 2]" 1
2411 1 97 ILE MG 1 105 VAL H . . 4.640 3.928 3.562 4.187 . 0 0 "[ . 1 . 2]" 1
2412 1 97 ILE MG 1 105 VAL HB . . 3.940 3.550 3.075 3.931 . 0 0 "[ . 1 . 2]" 1
2413 1 97 ILE MG 2 11 LEU HB2 . . 5.330 4.817 4.620 5.008 . 0 0 "[ . 1 . 2]" 1
2414 1 97 ILE MG 2 11 LEU HB3 . . 4.620 4.109 3.915 4.404 . 0 0 "[ . 1 . 2]" 1
2415 1 97 ILE MG 2 11 LEU MD1 . . 2.970 2.498 1.620 2.799 . 0 0 "[ . 1 . 2]" 1
2416 1 97 ILE MG 2 11 LEU MD2 . . 2.970 2.368 1.664 2.965 . 0 0 "[ . 1 . 2]" 1
2417 1 97 ILE MG 2 11 LEU HG . . 4.110 2.911 2.187 4.088 . 0 0 "[ . 1 . 2]" 1
2418 1 98 GLU H 1 98 GLU HB2 . . 3.290 3.073 2.883 3.233 . 0 0 "[ . 1 . 2]" 1
2419 1 98 GLU H 1 98 GLU HB3 . . 3.310 2.456 2.398 2.575 . 0 0 "[ . 1 . 2]" 1
2420 1 98 GLU H 1 98 GLU HG2 . . 4.630 4.346 4.164 4.658 0.028 1 0 "[ . 1 . 2]" 1
2421 1 98 GLU H 1 98 GLU HG3 . . 4.630 4.537 4.275 4.636 0.006 20 0 "[ . 1 . 2]" 1
2422 1 98 GLU H 1 99 GLU H . . 4.510 4.339 3.882 4.524 0.014 7 0 "[ . 1 . 2]" 1
2423 1 98 GLU H 2 11 LEU MD1 . . 4.900 4.440 2.436 4.864 . 0 0 "[ . 1 . 2]" 1
2424 1 98 GLU H 2 11 LEU QD . . 4.290 3.626 2.430 4.298 0.008 14 0 "[ . 1 . 2]" 1
2425 1 98 GLU H 2 11 LEU MD2 . . 4.900 4.057 2.615 4.901 0.001 9 0 "[ . 1 . 2]" 1
2426 1 98 GLU HA 1 98 GLU HG2 . . 3.820 3.500 3.294 3.859 0.039 1 0 "[ . 1 . 2]" 1
2427 1 98 GLU HA 1 98 GLU QG . . 3.300 2.587 2.456 2.991 . 0 0 "[ . 1 . 2]" 1
2428 1 98 GLU HA 1 98 GLU HG3 . . 3.820 2.667 2.509 3.115 . 0 0 "[ . 1 . 2]" 1
2429 1 98 GLU HA 1 99 GLU H . . 3.150 2.171 2.139 2.272 . 0 0 "[ . 1 . 2]" 1
2430 1 98 GLU HA 1 99 GLU HA . . 4.930 4.394 4.360 4.505 . 0 0 "[ . 1 . 2]" 1
2431 1 98 GLU HA 1 99 GLU QG . . 4.420 3.852 3.482 4.399 . 0 0 "[ . 1 . 2]" 1
2432 1 98 GLU HA 1 104 PHE H . . 5.330 5.051 4.822 5.230 . 0 0 "[ . 1 . 2]" 1
2433 1 98 GLU HA 1 104 PHE HB3 . . 4.840 4.680 4.421 4.809 . 0 0 "[ . 1 . 2]" 1
2434 1 98 GLU HA 1 104 PHE QD . . 4.480 3.470 3.214 3.680 . 0 0 "[ . 1 . 2]" 1
2435 1 98 GLU HA 1 105 VAL MG2 . . 5.070 4.802 4.509 5.067 . 0 0 "[ . 1 . 2]" 1
2436 1 98 GLU HB2 1 99 GLU H . . 4.460 4.188 3.907 4.479 0.019 9 0 "[ . 1 . 2]" 1
2437 1 98 GLU HB2 1 104 PHE HB3 . . 5.500 5.445 5.336 5.512 0.012 14 0 "[ . 1 . 2]" 1
2438 1 98 GLU HB2 1 104 PHE QD . . 4.280 3.462 3.307 3.686 . 0 0 "[ . 1 . 2]" 1
2439 1 98 GLU HB2 1 104 PHE QE . . 4.130 2.403 2.187 2.767 . 0 0 "[ . 1 . 2]" 1
2440 1 98 GLU HB2 2 12 ASN HB3 . . 4.910 4.770 4.274 4.910 . 0 0 "[ . 1 . 2]" 1
2441 1 98 GLU HB3 1 104 PHE QE . . 4.760 3.854 3.737 4.059 . 0 0 "[ . 1 . 2]" 1
2442 1 98 GLU HB3 2 12 ASN HB3 . . 3.770 3.453 2.680 3.740 . 0 0 "[ . 1 . 2]" 1
2443 1 98 GLU QG 1 99 GLU H . . 4.290 2.848 2.044 3.569 . 0 0 "[ . 1 . 2]" 1
2444 1 98 GLU QG 1 99 GLU HA . . 4.940 4.049 3.778 4.432 . 0 0 "[ . 1 . 2]" 1
2445 1 98 GLU QG 1 104 PHE QD . . 4.580 4.034 3.658 4.591 0.011 14 0 "[ . 1 . 2]" 1
2446 1 98 GLU QG 1 104 PHE QE . . 4.400 3.380 2.887 3.852 . 0 0 "[ . 1 . 2]" 1
2447 1 98 GLU QG 2 12 ASN HB2 . . 4.180 3.455 2.377 3.849 . 0 0 "[ . 1 . 2]" 1
2448 1 98 GLU QG 2 12 ASN HB3 . . 4.220 2.283 2.014 2.771 . 0 0 "[ . 1 . 2]" 1
2449 1 98 GLU QG 2 12 ASN HD22 . . 5.200 4.603 3.551 5.200 . 0 0 "[ . 1 . 2]" 1
2450 1 98 GLU HG2 2 12 ASN HB3 . . 4.970 2.364 2.024 3.193 . 0 0 "[ . 1 . 2]" 1
2451 1 98 GLU HG3 2 12 ASN HB3 . . 4.970 3.790 2.490 4.170 . 0 0 "[ . 1 . 2]" 1
2452 1 99 GLU H 1 99 GLU QB . . 3.390 2.446 2.216 2.577 . 0 0 "[ . 1 . 2]" 1
2453 1 99 GLU H 1 99 GLU HG2 . . 4.030 3.528 2.479 3.963 . 0 0 "[ . 1 . 2]" 1
2454 1 99 GLU H 1 99 GLU QG . . 3.450 2.518 1.899 3.155 . 0 0 "[ . 1 . 2]" 1
2455 1 99 GLU H 1 99 GLU HG3 . . 4.030 2.773 1.911 3.966 . 0 0 "[ . 1 . 2]" 1
2456 1 99 GLU H 1 103 ALA H . . 4.580 3.482 2.809 4.583 0.003 12 0 "[ . 1 . 2]" 1
2457 1 99 GLU H 1 103 ALA MB . . 4.390 3.734 3.361 4.086 . 0 0 "[ . 1 . 2]" 1
2458 1 99 GLU H 1 105 VAL MG2 . . 4.870 4.402 3.639 4.818 . 0 0 "[ . 1 . 2]" 1
2459 1 99 GLU H 2 11 LEU QD . . 4.810 4.464 3.406 4.819 0.009 20 0 "[ . 1 . 2]" 1
2460 1 99 GLU HA 1 99 GLU HG2 . . 4.010 2.760 2.218 3.626 . 0 0 "[ . 1 . 2]" 1
2461 1 99 GLU HA 1 99 GLU QG . . 3.350 2.507 2.167 2.902 . 0 0 "[ . 1 . 2]" 1
2462 1 99 GLU HA 1 99 GLU HG3 . . 4.010 3.091 2.458 3.820 . 0 0 "[ . 1 . 2]" 1
2463 1 99 GLU HA 1 100 ALA H . . 3.220 2.244 2.154 2.426 . 0 0 "[ . 1 . 2]" 1
2464 1 99 GLU HA 1 100 ALA HA . . 5.270 4.312 4.298 4.343 . 0 0 "[ . 1 . 2]" 1
2465 1 99 GLU HA 1 100 ALA MB . . 4.510 4.036 3.958 4.103 . 0 0 "[ . 1 . 2]" 1
2466 1 99 GLU HA 1 105 VAL MG2 . . 5.500 5.250 4.839 5.451 . 0 0 "[ . 1 . 2]" 1
2467 1 99 GLU HA 2 11 LEU HA . . 3.340 2.080 1.995 2.281 . 0 0 "[ . 1 . 2]" 1
2468 1 99 GLU HA 2 11 LEU HB2 . . 5.260 5.022 4.836 5.268 0.008 12 0 "[ . 1 . 2]" 1
2469 1 99 GLU HA 2 11 LEU HB3 . . 4.630 4.369 3.905 4.595 . 0 0 "[ . 1 . 2]" 1
2470 1 99 GLU HA 2 11 LEU QD . . 3.270 2.683 2.305 3.131 . 0 0 "[ . 1 . 2]" 1
2471 1 99 GLU HA 2 11 LEU HG . . 4.960 4.223 3.157 4.960 . 0 0 "[ . 1 . 2]" 1
2472 1 99 GLU HA 2 12 ASN H . . 4.200 3.907 3.128 4.199 . 0 0 "[ . 1 . 2]" 1
2473 1 99 GLU QB 1 100 ALA H . . 3.470 2.825 2.358 3.145 . 0 0 "[ . 1 . 2]" 1
2474 1 99 GLU QB 1 100 ALA MB . . 4.680 3.918 3.770 4.087 . 0 0 "[ . 1 . 2]" 1
2475 1 99 GLU QB 1 101 SER H . . 4.330 3.122 2.831 3.324 . 0 0 "[ . 1 . 2]" 1
2476 1 99 GLU QB 1 102 GLY H . . 4.210 2.882 2.651 3.109 . 0 0 "[ . 1 . 2]" 1
2477 1 99 GLU QB 1 103 ALA H . . 3.590 2.436 1.970 3.162 . 0 0 "[ . 1 . 2]" 1
2478 1 99 GLU QB 1 103 ALA MB . . 3.560 2.408 2.100 2.661 . 0 0 "[ . 1 . 2]" 1
2479 1 99 GLU QB 1 105 VAL MG2 . . 4.440 4.239 3.987 4.414 . 0 0 "[ . 1 . 2]" 1
2480 1 99 GLU QB 2 11 LEU HA . . 4.380 3.998 3.663 4.359 . 0 0 "[ . 1 . 2]" 1
2481 1 99 GLU QB 2 11 LEU QD . . 4.960 3.978 3.625 4.326 . 0 0 "[ . 1 . 2]" 1
2482 1 99 GLU HB2 1 100 ALA H . . 4.160 3.945 3.486 4.157 . 0 0 "[ . 1 . 2]" 1
2483 1 99 GLU HB2 1 101 SER H . . 4.920 4.001 3.418 4.522 . 0 0 "[ . 1 . 2]" 1
2484 1 99 GLU HB2 1 103 ALA H . . 4.460 2.471 1.980 3.289 . 0 0 "[ . 1 . 2]" 1
2485 1 99 GLU HB2 1 105 VAL MG2 . . 5.220 4.547 4.270 4.818 . 0 0 "[ . 1 . 2]" 1
2486 1 99 GLU HB3 1 100 ALA H . . 4.160 2.896 2.397 3.268 . 0 0 "[ . 1 . 2]" 1
2487 1 99 GLU HB3 1 101 SER H . . 4.920 3.272 2.978 3.513 . 0 0 "[ . 1 . 2]" 1
2488 1 99 GLU HB3 1 103 ALA H . . 4.460 3.879 3.095 4.394 . 0 0 "[ . 1 . 2]" 1
2489 1 99 GLU HB3 1 105 VAL MG2 . . 5.220 5.076 4.777 5.204 . 0 0 "[ . 1 . 2]" 1
2490 1 99 GLU QG 1 100 ALA H . . 4.350 4.072 3.505 4.356 0.006 6 0 "[ . 1 . 2]" 1
2491 1 99 GLU QG 1 103 ALA H . . 5.340 4.278 3.777 5.233 . 0 0 "[ . 1 . 2]" 1
2492 1 99 GLU QG 1 103 ALA MB . . 3.710 3.189 2.705 3.519 . 0 0 "[ . 1 . 2]" 1
2493 1 99 GLU QG 1 105 VAL MG2 . . 3.180 2.679 2.406 2.965 . 0 0 "[ . 1 . 2]" 1
2494 1 99 GLU QG 2 9 SER QB . . 3.790 2.713 1.991 3.623 . 0 0 "[ . 1 . 2]" 1
2495 1 99 GLU QG 2 11 LEU QD . . 3.340 3.096 2.781 3.342 0.002 18 0 "[ . 1 . 2]" 1
2496 1 99 GLU HG2 1 103 ALA MB . . 4.410 4.082 3.515 4.339 . 0 0 "[ . 1 . 2]" 1
2497 1 99 GLU HG2 1 105 VAL MG2 . . 3.910 3.399 2.711 3.842 . 0 0 "[ . 1 . 2]" 1
2498 1 99 GLU HG3 1 103 ALA MB . . 4.410 3.395 2.753 4.364 . 0 0 "[ . 1 . 2]" 1
2499 1 99 GLU HG3 1 105 VAL MG2 . . 3.910 2.847 2.475 3.328 . 0 0 "[ . 1 . 2]" 1
2500 1 100 ALA H 1 100 ALA MB . . 3.550 2.088 2.023 2.247 . 0 0 "[ . 1 . 2]" 1
2501 1 100 ALA H 2 10 ASP HB2 . . 4.620 4.262 3.882 4.619 . 0 0 "[ . 1 . 2]" 1
2502 1 100 ALA H 2 11 LEU HA . . 3.410 2.504 2.059 2.857 . 0 0 "[ . 1 . 2]" 1
2503 1 100 ALA H 2 11 LEU QD . . 4.290 3.784 3.240 4.155 . 0 0 "[ . 1 . 2]" 1
2504 1 100 ALA H 2 12 ASN H . . 4.280 4.019 3.645 4.216 . 0 0 "[ . 1 . 2]" 1
2505 1 100 ALA H 2 12 ASN HB3 . . 5.310 4.805 4.266 5.232 . 0 0 "[ . 1 . 2]" 1
2506 1 100 ALA HA 1 101 SER HA . . 5.330 4.891 4.808 4.941 . 0 0 "[ . 1 . 2]" 1
2507 1 100 ALA HA 2 12 ASN HB2 . . 4.150 3.627 2.718 4.142 . 0 0 "[ . 1 . 2]" 1
2508 1 100 ALA HA 2 12 ASN HB3 . . 4.880 3.645 3.074 4.883 0.003 1 0 "[ . 1 . 2]" 1
2509 1 100 ALA MB 1 101 SER H . . 4.460 2.367 2.038 2.634 . 0 0 "[ . 1 . 2]" 1
2510 1 100 ALA MB 2 10 ASP H . . 4.930 4.025 3.751 4.399 . 0 0 "[ . 1 . 2]" 1
2511 1 100 ALA MB 2 10 ASP HB2 . . 3.190 3.027 2.530 3.192 0.002 3 0 "[ . 1 . 2]" 1
2512 1 100 ALA MB 2 10 ASP HB3 . . 3.260 2.955 1.993 3.244 . 0 0 "[ . 1 . 2]" 1
2513 1 100 ALA MB 2 12 ASN H . . 4.680 4.409 4.170 4.596 . 0 0 "[ . 1 . 2]" 1
2514 1 100 ALA MB 2 12 ASN HB2 . . 4.910 4.665 4.163 4.910 . 10 0 "[ . 1 . 2]" 1
2515 1 101 SER H 1 102 GLY H . . 4.520 2.985 2.828 3.283 . 0 0 "[ . 1 . 2]" 1
2516 1 101 SER H 1 103 ALA H . . 4.940 4.460 4.245 4.818 . 0 0 "[ . 1 . 2]" 1
2517 1 101 SER HA 1 102 GLY QA . . 4.480 4.229 4.213 4.235 . 0 0 "[ . 1 . 2]" 1
2518 1 101 SER HA 1 103 ALA H . . 5.300 5.182 4.874 5.324 0.024 14 0 "[ . 1 . 2]" 1
2519 1 101 SER QB 1 103 ALA H . . 4.250 3.438 2.742 4.163 . 0 0 "[ . 1 . 2]" 1
2520 1 101 SER HB2 1 103 ALA MB . . 4.680 4.060 3.421 4.638 . 0 0 "[ . 1 . 2]" 1
2521 1 101 SER HB3 1 103 ALA MB . . 4.680 4.141 3.266 4.664 . 0 0 "[ . 1 . 2]" 1
2522 1 102 GLY H 1 103 ALA H . . 3.090 1.934 1.791 2.544 . 0 0 "[ . 1 . 2]" 1
2523 1 102 GLY H 1 103 ALA MB . . 4.270 3.516 3.242 3.760 . 0 0 "[ . 1 . 2]" 1
2524 1 102 GLY QA 1 103 ALA MB . . 4.570 4.168 4.124 4.216 . 0 0 "[ . 1 . 2]" 1
2525 1 103 ALA H 1 103 ALA MB . . 2.810 2.251 2.047 2.347 . 0 0 "[ . 1 . 2]" 1
2526 1 103 ALA H 1 104 PHE H . . 4.640 4.552 4.495 4.647 0.007 3 0 "[ . 1 . 2]" 1
2527 1 103 ALA HA 1 104 PHE H . . 2.590 2.317 2.270 2.388 . 0 0 "[ . 1 . 2]" 1
2528 1 103 ALA HA 1 104 PHE HB2 . . 4.250 4.161 4.147 4.196 . 0 0 "[ . 1 . 2]" 1
2529 1 103 ALA HA 1 104 PHE HB3 . . 5.500 5.566 5.555 5.578 0.078 9 0 "[ . 1 . 2]" 1
2530 1 103 ALA HA 1 104 PHE QD . . 4.520 3.809 3.575 4.064 . 0 0 "[ . 1 . 2]" 1
2531 1 103 ALA MB 1 104 PHE H . . 3.030 2.634 2.436 2.723 . 0 0 "[ . 1 . 2]" 1
2532 1 103 ALA MB 1 104 PHE HB2 . . 4.930 4.714 4.602 4.763 . 0 0 "[ . 1 . 2]" 1
2533 1 103 ALA MB 1 104 PHE HB3 . . 5.500 5.471 5.380 5.509 0.009 16 0 "[ . 1 . 2]" 1
2534 1 103 ALA MB 1 105 VAL MG2 . . 3.960 3.498 3.280 3.688 . 0 0 "[ . 1 . 2]" 1
2535 1 103 ALA MB 2 9 SER QB . . 5.340 4.750 4.067 5.276 . 0 0 "[ . 1 . 2]" 1
2536 1 104 PHE H 1 104 PHE HB2 . . 2.940 2.489 2.392 2.527 . 0 0 "[ . 1 . 2]" 1
2537 1 104 PHE H 1 104 PHE HB3 . . 3.590 3.594 3.549 3.610 0.020 8 0 "[ . 1 . 2]" 1
2538 1 104 PHE H 1 104 PHE QD . . 3.680 3.474 3.282 3.674 . 0 0 "[ . 1 . 2]" 1
2539 1 104 PHE H 1 105 VAL H . . 4.380 4.124 4.007 4.277 . 0 0 "[ . 1 . 2]" 1
2540 1 104 PHE H 1 106 TYR QE . . 5.470 5.327 5.023 5.467 . 0 0 "[ . 1 . 2]" 1
2541 1 104 PHE HB2 1 105 VAL H . . 4.630 4.539 4.437 4.582 . 0 0 "[ . 1 . 2]" 1
2542 1 104 PHE HB2 1 106 TYR QD . . 5.330 5.237 5.063 5.308 . 0 0 "[ . 1 . 2]" 1
2543 1 104 PHE HB2 1 106 TYR QE . . 3.910 3.795 3.416 3.907 . 0 0 "[ . 1 . 2]" 1
2544 1 104 PHE HB3 1 105 VAL H . . 3.850 3.726 3.460 3.855 0.005 6 0 "[ . 1 . 2]" 1
2545 1 104 PHE HB3 1 105 VAL MG2 . . 5.470 5.351 5.180 5.468 . 0 0 "[ . 1 . 2]" 1
2546 1 104 PHE HB3 1 106 TYR QD . . 4.720 3.956 3.731 4.073 . 0 0 "[ . 1 . 2]" 1
2547 1 104 PHE HB3 1 106 TYR QE . . 3.700 2.502 2.119 2.815 . 0 0 "[ . 1 . 2]" 1
2548 1 104 PHE QD 1 105 VAL H . . 4.640 4.014 3.730 4.261 . 0 0 "[ . 1 . 2]" 1
2549 1 104 PHE QD 1 106 TYR QD . . 4.720 4.488 4.334 4.589 . 0 0 "[ . 1 . 2]" 1
2550 1 104 PHE QD 1 106 TYR QE . . 4.000 3.016 2.720 3.212 . 0 0 "[ . 1 . 2]" 1
2551 1 104 PHE QE 1 106 TYR QE . . 5.500 4.848 4.594 5.124 . 0 0 "[ . 1 . 2]" 1
2552 1 105 VAL H 1 105 VAL HB . . 3.600 2.456 2.397 2.505 . 0 0 "[ . 1 . 2]" 1
2553 1 105 VAL H 1 105 VAL MG2 . . 3.300 2.419 2.252 2.615 . 0 0 "[ . 1 . 2]" 1
2554 1 105 VAL H 1 106 TYR H . . 5.040 4.554 4.523 4.595 . 0 0 "[ . 1 . 2]" 1
2555 1 105 VAL HA 1 105 VAL MG1 . . 3.260 2.411 2.319 2.490 . 0 0 "[ . 1 . 2]" 1
2556 1 105 VAL HA 1 105 VAL MG2 . . 3.450 2.302 2.206 2.410 . 0 0 "[ . 1 . 2]" 1
2557 1 105 VAL HA 1 106 TYR H . . 2.990 2.179 2.153 2.215 . 0 0 "[ . 1 . 2]" 1
2558 1 105 VAL HA 1 106 TYR QD . . 4.540 4.459 4.308 4.538 . 0 0 "[ . 1 . 2]" 1
2559 1 105 VAL HA 1 106 TYR QE . . 5.500 5.282 5.134 5.436 . 0 0 "[ . 1 . 2]" 1
2560 1 105 VAL HB 1 106 TYR H . . 4.470 4.118 4.045 4.204 . 0 0 "[ . 1 . 2]" 1
2561 1 105 VAL HB 1 106 TYR QD . . 5.500 5.375 5.152 5.498 . 0 0 "[ . 1 . 2]" 1
2562 1 105 VAL MG1 1 106 TYR H . . 3.410 2.380 2.116 2.612 . 0 0 "[ . 1 . 2]" 1
2563 1 105 VAL MG1 1 106 TYR QD . . 4.700 4.592 4.388 4.702 0.002 12 0 "[ . 1 . 2]" 1
2564 1 105 VAL MG1 1 107 LEU HA . . 4.620 4.279 4.068 4.448 . 0 0 "[ . 1 . 2]" 1
2565 1 105 VAL MG1 1 107 LEU MD1 . . 3.870 2.942 2.691 3.206 . 0 0 "[ . 1 . 2]" 1
2566 1 106 TYR H 1 106 TYR HB2 . . 3.780 2.642 2.577 2.691 . 0 0 "[ . 1 . 2]" 1
2567 1 106 TYR H 1 106 TYR HB3 . . 4.070 3.769 3.733 3.793 . 0 0 "[ . 1 . 2]" 1
2568 1 106 TYR H 1 106 TYR QD . . 3.590 3.575 3.529 3.602 0.012 12 0 "[ . 1 . 2]" 1
2569 1 106 TYR H 1 106 TYR QE . . 5.290 5.056 4.993 5.087 . 0 0 "[ . 1 . 2]" 1
2570 1 106 TYR H 1 107 LEU H . . 4.610 4.413 4.334 4.475 . 0 0 "[ . 1 . 2]" 1
2571 1 106 TYR HB2 1 107 LEU H . . 4.220 4.056 3.903 4.215 . 0 0 "[ . 1 . 2]" 1
2572 1 106 TYR HB2 1 108 ARG QG . . 4.040 3.595 3.337 3.772 . 0 0 "[ . 1 . 2]" 1
2573 1 106 TYR HB3 1 107 LEU H . . 3.480 3.098 2.853 3.329 . 0 0 "[ . 1 . 2]" 1
2574 1 106 TYR HB3 1 108 ARG QB . . 5.480 5.229 4.914 5.403 . 0 0 "[ . 1 . 2]" 1
2575 1 106 TYR HB3 1 108 ARG QD . . 4.460 4.335 3.794 4.466 0.006 13 0 "[ . 1 . 2]" 1
2576 1 106 TYR HB3 1 108 ARG HG2 . . 4.040 3.542 2.823 3.744 . 0 0 "[ . 1 . 2]" 1
2577 1 106 TYR HB3 1 108 ARG HG3 . . 4.040 3.684 3.217 4.061 0.021 12 0 "[ . 1 . 2]" 1
2578 1 106 TYR QD 1 107 LEU H . . 3.930 3.886 3.830 3.930 . 0 0 "[ . 1 . 2]" 1
2579 1 106 TYR QD 1 108 ARG HG2 . . 5.500 5.314 4.708 5.504 0.004 10 0 "[ . 1 . 2]" 1
2580 1 106 TYR QD 1 108 ARG QG . . 4.840 4.590 4.327 4.738 . 0 0 "[ . 1 . 2]" 1
2581 1 106 TYR QD 1 108 ARG HG3 . . 5.500 5.033 4.718 5.226 . 0 0 "[ . 1 . 2]" 1
2582 1 107 LEU H 1 107 LEU HB2 . . 3.380 2.738 2.654 2.818 . 0 0 "[ . 1 . 2]" 1
2583 1 107 LEU H 1 107 LEU HB3 . . 3.940 3.759 3.700 3.820 . 0 0 "[ . 1 . 2]" 1
2584 1 107 LEU H 1 107 LEU MD1 . . 3.910 2.111 1.905 2.376 . 0 0 "[ . 1 . 2]" 1
2585 1 107 LEU H 1 107 LEU MD2 . . 4.440 4.205 4.084 4.309 . 0 0 "[ . 1 . 2]" 1
2586 1 107 LEU H 1 107 LEU HG . . 3.620 3.185 2.991 3.369 . 0 0 "[ . 1 . 2]" 1
2587 1 107 LEU HA 1 107 LEU MD1 . . 4.060 3.553 3.499 3.598 . 0 0 "[ . 1 . 2]" 1
2588 1 107 LEU HA 1 107 LEU MD2 . . 3.680 3.586 3.572 3.607 . 0 0 "[ . 1 . 2]" 1
2589 1 107 LEU HA 1 107 LEU HG . . 3.880 2.670 2.618 2.708 . 0 0 "[ . 1 . 2]" 1
2590 1 107 LEU HA 1 108 ARG H . . 2.940 2.254 2.189 2.390 . 0 0 "[ . 1 . 2]" 1
2591 1 107 LEU HA 1 109 GLN H . . 4.040 3.856 3.698 4.044 0.004 12 0 "[ . 1 . 2]" 1
2592 1 107 LEU HB2 1 107 LEU MD1 . . 3.640 2.080 2.000 2.209 . 0 0 "[ . 1 . 2]" 1
2593 1 107 LEU HB2 1 107 LEU MD2 . . 3.110 2.662 2.638 2.682 . 0 0 "[ . 1 . 2]" 1
2594 1 107 LEU HB3 1 108 ARG H . . 4.720 4.008 3.855 4.239 . 0 0 "[ . 1 . 2]" 1
2595 1 108 ARG H 1 108 ARG QB . . 3.190 2.479 2.406 2.590 . 0 0 "[ . 1 . 2]" 1
2596 1 108 ARG H 1 108 ARG HD2 . . 5.500 4.885 4.487 5.101 . 0 0 "[ . 1 . 2]" 1
2597 1 108 ARG H 1 108 ARG QD . . 4.780 4.270 4.038 4.487 . 0 0 "[ . 1 . 2]" 1
2598 1 108 ARG H 1 108 ARG HD3 . . 5.500 4.720 4.403 5.004 . 0 0 "[ . 1 . 2]" 1
2599 1 108 ARG H 1 108 ARG HG2 . . 3.980 3.082 2.243 3.385 . 0 0 "[ . 1 . 2]" 1
2600 1 108 ARG H 1 108 ARG HG3 . . 3.980 2.648 2.321 3.320 . 0 0 "[ . 1 . 2]" 1
2601 1 108 ARG H 1 109 GLN H . . 3.030 2.423 2.271 2.714 . 0 0 "[ . 1 . 2]" 1
2602 1 108 ARG QB 1 108 ARG HD2 . . 3.650 3.025 2.394 3.337 . 0 0 "[ . 1 . 2]" 1
2603 1 108 ARG QB 1 108 ARG QD . . 3.060 2.278 1.989 2.526 . 0 0 "[ . 1 . 2]" 1
2604 1 108 ARG QB 1 108 ARG HD3 . . 3.650 2.532 2.042 3.289 . 0 0 "[ . 1 . 2]" 1
2605 1 108 ARG QB 1 109 GLN H . . 2.980 2.407 2.196 2.567 . 0 0 "[ . 1 . 2]" 1
2606 1 108 ARG QB 1 109 GLN HE21 . . 4.630 4.101 3.681 4.443 . 0 0 "[ . 1 . 2]" 1
2607 1 108 ARG QG 1 109 GLN H . . 4.130 3.881 3.688 3.976 . 0 0 "[ . 1 . 2]" 1
2608 1 108 ARG HG2 1 109 GLN H . . 4.830 4.651 4.192 4.799 . 0 0 "[ . 1 . 2]" 1
2609 1 108 ARG HG3 1 109 GLN H . . 4.830 4.170 3.906 4.414 . 0 0 "[ . 1 . 2]" 1
2610 1 109 GLN H 1 109 GLN HB2 . . 3.960 3.900 3.829 3.948 . 0 0 "[ . 1 . 2]" 1
2611 1 109 GLN H 1 109 GLN HB3 . . 3.760 3.230 3.170 3.313 . 0 0 "[ . 1 . 2]" 1
2612 1 109 GLN H 1 109 GLN HE21 . . 4.630 3.899 3.475 4.227 . 0 0 "[ . 1 . 2]" 1
2613 1 109 GLN H 1 109 GLN HE22 . . 4.660 3.949 3.584 4.242 . 0 0 "[ . 1 . 2]" 1
2614 1 109 GLN H 1 109 GLN HG2 . . 3.920 2.903 2.647 3.077 . 0 0 "[ . 1 . 2]" 1
2615 1 109 GLN H 1 109 GLN HG3 . . 4.270 4.126 3.954 4.222 . 0 0 "[ . 1 . 2]" 1
2616 1 109 GLN H 1 110 PRO QD . . 4.450 4.257 4.228 4.284 . 0 0 "[ . 1 . 2]" 1
2617 1 109 GLN HA 1 109 GLN HG2 . . 3.980 3.617 3.594 3.646 . 0 0 "[ . 1 . 2]" 1
2618 1 109 GLN HA 1 110 PRO QD . . 2.700 2.000 1.980 2.012 . 0 0 "[ . 1 . 2]" 1
2619 1 109 GLN HA 1 110 PRO QG . . 4.080 3.903 3.881 3.916 . 0 0 "[ . 1 . 2]" 1
2620 1 109 GLN HB2 1 109 GLN HE21 . . 4.680 4.614 4.581 4.624 . 0 0 "[ . 1 . 2]" 1
2621 1 109 GLN HB2 1 109 GLN HG2 . . 2.980 2.614 2.573 2.643 . 0 0 "[ . 1 . 2]" 1
2622 1 109 GLN HB2 1 110 PRO QD . . 3.730 2.310 2.251 2.428 . 0 0 "[ . 1 . 2]" 1
2623 1 109 GLN HB3 1 109 GLN HE21 . . 4.370 4.360 4.332 4.378 0.008 11 0 "[ . 1 . 2]" 1
2624 1 109 GLN HB3 1 109 GLN HE22 . . 4.900 4.503 4.473 4.531 . 0 0 "[ . 1 . 2]" 1
2625 1 109 GLN HB3 1 110 PRO QD . . 3.580 3.458 3.367 3.491 . 0 0 "[ . 1 . 2]" 1
2626 1 109 GLN HE21 1 109 GLN HG2 . . 3.550 2.360 2.203 2.510 . 0 0 "[ . 1 . 2]" 1
2627 1 109 GLN HG2 1 110 PRO QD . . 4.230 4.024 3.905 4.206 . 0 0 "[ . 1 . 2]" 1
2628 1 109 GLN HG3 1 110 PRO QD . . 4.680 4.325 4.204 4.465 . 0 0 "[ . 1 . 2]" 1
2629 1 110 PRO HA 1 111 TYR H . . 2.820 2.713 2.689 2.726 . 0 0 "[ . 1 . 2]" 1
2630 1 110 PRO HA 1 111 TYR HA . . 4.770 4.527 4.498 4.556 . 0 0 "[ . 1 . 2]" 1
2631 1 110 PRO HA 1 111 TYR HB2 . . 4.460 4.353 4.312 4.397 . 0 0 "[ . 1 . 2]" 1
2632 1 110 PRO HA 1 111 TYR HB3 . . 4.670 4.590 4.463 4.668 . 0 0 "[ . 1 . 2]" 1
2633 1 110 PRO HB2 1 111 TYR H . . 3.890 1.922 1.896 1.971 . 0 0 "[ . 1 . 2]" 1
2634 1 110 PRO HB2 1 112 TYR QD . . 4.640 3.943 2.882 4.342 . 0 0 "[ . 1 . 2]" 1
2635 1 110 PRO HB2 1 112 TYR QE . . 4.360 3.188 2.338 3.675 . 0 0 "[ . 1 . 2]" 1
2636 1 110 PRO HB3 1 111 TYR H . . 3.820 3.153 3.145 3.171 . 0 0 "[ . 1 . 2]" 1
2637 1 110 PRO HB3 1 112 TYR QE . . 4.930 4.185 3.361 4.541 . 0 0 "[ . 1 . 2]" 1
2638 1 110 PRO QD 1 111 TYR H . . 4.820 4.724 4.713 4.747 . 0 0 "[ . 1 . 2]" 1
2639 1 110 PRO QD 1 112 TYR QE . . 4.490 4.041 3.652 4.336 . 0 0 "[ . 1 . 2]" 1
2640 1 110 PRO QG 1 112 TYR QD . . 4.690 3.906 3.063 4.353 . 0 0 "[ . 1 . 2]" 1
2641 1 110 PRO QG 1 112 TYR QE . . 3.960 2.558 2.228 2.990 . 0 0 "[ . 1 . 2]" 1
2642 1 111 TYR H 1 111 TYR HB2 . . 3.410 3.275 3.208 3.377 . 0 0 "[ . 1 . 2]" 1
2643 1 111 TYR H 1 111 TYR HB3 . . 3.250 2.733 2.668 2.782 . 0 0 "[ . 1 . 2]" 1
2644 1 111 TYR H 1 111 TYR QD . . 4.430 4.317 4.256 4.371 . 0 0 "[ . 1 . 2]" 1
2645 1 111 TYR H 1 112 TYR H . . 4.380 4.082 3.934 4.334 . 0 0 "[ . 1 . 2]" 1
2646 1 111 TYR HA 1 111 TYR QD . . 3.540 2.719 2.486 2.934 . 0 0 "[ . 1 . 2]" 1
2647 1 111 TYR HA 1 111 TYR QE . . 4.780 4.644 4.534 4.744 . 0 0 "[ . 1 . 2]" 1
2648 1 111 TYR HA 1 112 TYR H . . 3.110 2.149 2.138 2.202 . 0 0 "[ . 1 . 2]" 1
2649 1 111 TYR HA 1 112 TYR HB2 . . 4.900 4.801 4.451 4.902 0.002 20 0 "[ . 1 . 2]" 1
2650 1 111 TYR HA 1 112 TYR QD . . 4.490 4.368 3.382 4.488 . 0 0 "[ . 1 . 2]" 1
2651 1 111 TYR HA 1 112 TYR QE . . 5.320 5.124 4.840 5.280 . 0 0 "[ . 1 . 2]" 1
2652 1 111 TYR HB2 1 112 TYR H . . 4.670 4.331 4.061 4.444 . 0 0 "[ . 1 . 2]" 1
2653 1 111 TYR QD 1 112 TYR H . . 4.290 3.720 3.317 3.935 . 0 0 "[ . 1 . 2]" 1
2654 1 111 TYR QE 1 113 SER HA . . 4.250 3.656 2.575 4.255 0.005 1 0 "[ . 1 . 2]" 1
2655 1 111 TYR QE 1 113 SER QB . . 4.370 3.700 2.841 4.370 0.000 19 0 "[ . 1 . 2]" 1
2656 1 112 TYR H 1 112 TYR HB2 . . 3.880 2.688 2.366 2.811 . 0 0 "[ . 1 . 2]" 1
2657 1 112 TYR H 1 112 TYR HB3 . . 3.860 3.690 3.610 3.829 . 0 0 "[ . 1 . 2]" 1
2658 1 112 TYR H 1 112 TYR QD . . 4.340 3.099 2.485 3.348 . 0 0 "[ . 1 . 2]" 1
2659 1 112 TYR HA 1 112 TYR QD . . 3.400 2.457 2.161 2.876 . 0 0 "[ . 1 . 2]" 1
2660 1 112 TYR HB3 1 113 SER H . . 5.020 3.179 2.373 4.490 . 0 0 "[ . 1 . 2]" 1
2661 1 114 GLY QA 1 115 PRO QD . . 2.610 1.963 1.848 2.066 . 0 0 "[ . 1 . 2]" 1
2662 1 114 GLY QA 1 115 PRO QG . . 3.990 3.710 3.643 3.834 . 0 0 "[ . 1 . 2]" 1
2663 2 5 GLY QA 2 6 VAL H . . 2.980 2.187 2.110 2.296 . 0 0 "[ . 1 . 2]" 1
2664 2 6 VAL H 2 6 VAL MG2 . . 3.240 2.061 1.858 2.252 . 0 0 "[ . 1 . 2]" 1
2665 2 6 VAL HA 2 6 VAL MG1 . . 3.370 2.296 2.101 2.494 . 0 0 "[ . 1 . 2]" 1
2666 2 6 VAL HA 2 7 ILE H . . 2.720 2.222 2.182 2.315 . 0 0 "[ . 1 . 2]" 1
2667 2 6 VAL HA 2 7 ILE MD . . 4.870 4.367 4.059 4.541 . 0 0 "[ . 1 . 2]" 1
2668 2 6 VAL HA 2 7 ILE HG12 . . 4.400 3.525 3.463 3.595 . 0 0 "[ . 1 . 2]" 1
2669 2 6 VAL HA 2 7 ILE HG13 . . 5.310 5.228 5.170 5.293 . 0 0 "[ . 1 . 2]" 1
2670 2 6 VAL HB 2 7 ILE H . . 3.130 2.909 2.600 3.067 . 0 0 "[ . 1 . 2]" 1
2671 2 6 VAL HB 2 7 ILE HA . . 5.130 4.907 4.733 5.110 . 0 0 "[ . 1 . 2]" 1
2672 2 7 ILE H 2 7 ILE HB . . 2.990 2.623 2.585 2.672 . 0 0 "[ . 1 . 2]" 1
2673 2 7 ILE H 2 7 ILE MD . . 3.490 3.326 3.119 3.480 . 0 0 "[ . 1 . 2]" 1
2674 2 7 ILE H 2 7 ILE HG12 . . 3.620 1.955 1.889 2.046 . 0 0 "[ . 1 . 2]" 1
2675 2 7 ILE H 2 7 ILE HG13 . . 3.420 3.404 3.349 3.437 0.017 19 0 "[ . 1 . 2]" 1
2676 2 7 ILE H 2 7 ILE MG . . 3.880 3.770 3.762 3.778 . 0 0 "[ . 1 . 2]" 1
2677 2 7 ILE H 2 8 PTR H . . 4.850 4.621 4.605 4.634 . 0 0 "[ . 1 . 2]" 1
2678 2 7 ILE HA 2 7 ILE MD . . 3.100 2.178 2.056 2.347 . 0 0 "[ . 1 . 2]" 1
2679 2 7 ILE HA 2 7 ILE HG12 . . 3.410 3.004 2.911 3.138 . 0 0 "[ . 1 . 2]" 1
2680 2 7 ILE HA 2 7 ILE HG13 . . 4.010 3.807 3.789 3.823 . 0 0 "[ . 1 . 2]" 1
2681 2 7 ILE HA 2 7 ILE MG . . 2.760 2.263 2.194 2.354 . 0 0 "[ . 1 . 2]" 1
2682 2 7 ILE HA 2 8 PTR H . . 3.270 2.275 2.209 2.354 . 0 0 "[ . 1 . 2]" 1
2683 2 7 ILE HA 2 8 PTR HB2 . . 4.360 4.316 4.249 4.373 0.013 12 0 "[ . 1 . 2]" 1
2684 2 7 ILE HB 2 7 ILE MD . . 3.270 3.211 3.202 3.218 . 0 0 "[ . 1 . 2]" 1
2685 2 7 ILE HB 2 7 ILE HG13 . . 3.020 2.380 2.351 2.421 . 0 0 "[ . 1 . 2]" 1
2686 2 7 ILE HB 2 8 PTR H . . 4.090 3.748 3.521 3.916 . 0 0 "[ . 1 . 2]" 1
2687 2 7 ILE MD 2 8 PTR HB2 . . 5.500 5.477 5.419 5.509 0.009 13 0 "[ . 1 . 2]" 1
2688 2 7 ILE HG12 2 7 ILE MG . . 3.350 3.184 3.174 3.200 . 0 0 "[ . 1 . 2]" 1
2689 2 7 ILE HG12 2 8 PTR H . . 5.020 4.917 4.799 5.001 . 0 0 "[ . 1 . 2]" 1
2690 2 7 ILE HG13 2 7 ILE MG . . 2.810 2.447 2.365 2.490 . 0 0 "[ . 1 . 2]" 1
2691 2 7 ILE MG 2 8 PTR H . . 3.260 1.937 1.832 2.110 . 0 0 "[ . 1 . 2]" 1
2692 2 7 ILE MG 2 8 PTR HB2 . . 4.200 3.967 3.893 4.056 . 0 0 "[ . 1 . 2]" 1
2693 2 7 ILE MG 2 8 PTR HB3 . . 4.930 4.818 4.708 4.902 . 0 0 "[ . 1 . 2]" 1
2694 2 8 PTR H 2 8 PTR HB2 . . 3.620 2.431 2.333 2.562 . 0 0 "[ . 1 . 2]" 1
2695 2 8 PTR H 2 8 PTR HB3 . . 3.820 3.632 3.570 3.721 . 0 0 "[ . 1 . 2]" 1
2696 2 8 PTR HB2 2 9 SER H . . 4.700 4.463 4.230 4.550 . 0 0 "[ . 1 . 2]" 1
2697 2 8 PTR HB3 2 9 SER H . . 4.340 3.629 3.121 3.859 . 0 0 "[ . 1 . 2]" 1
2698 2 9 SER HA 2 10 ASP H . . 3.020 2.258 2.138 2.508 . 0 0 "[ . 1 . 2]" 1
2699 2 9 SER HA 2 10 ASP HB2 . . 4.650 4.224 4.121 4.272 . 0 0 "[ . 1 . 2]" 1
2700 2 9 SER HA 2 10 ASP HB3 . . 5.500 5.584 5.571 5.596 0.096 6 0 "[ . 1 . 2]" 1
2701 2 9 SER QB 2 10 ASP H . . 3.770 3.092 2.194 3.673 . 0 0 "[ . 1 . 2]" 1
2702 2 9 SER QB 2 10 ASP HB2 . . 5.340 4.986 4.611 5.253 . 0 0 "[ . 1 . 2]" 1
2703 2 9 SER QB 2 11 LEU QD . . 4.980 4.168 3.705 4.555 . 0 0 "[ . 1 . 2]" 1
2704 2 9 SER HB2 2 10 ASP H . . 4.620 4.108 2.599 4.579 . 0 0 "[ . 1 . 2]" 1
2705 2 9 SER HB3 2 10 ASP H . . 4.620 3.263 2.222 3.871 . 0 0 "[ . 1 . 2]" 1
2706 2 10 ASP H 2 10 ASP HB2 . . 3.520 2.320 2.164 2.641 . 0 0 "[ . 1 . 2]" 1
2707 2 10 ASP H 2 10 ASP HB3 . . 3.690 3.542 3.474 3.671 . 0 0 "[ . 1 . 2]" 1
2708 2 10 ASP H 2 11 LEU QD . . 4.960 4.583 4.134 4.967 0.007 18 0 "[ . 1 . 2]" 1
2709 2 10 ASP HA 2 11 LEU HB2 . . 4.770 4.553 4.218 4.778 0.008 7 0 "[ . 1 . 2]" 1
2710 2 10 ASP HB2 2 11 LEU H . . 4.960 3.594 3.482 3.879 . 0 0 "[ . 1 . 2]" 1
2711 2 10 ASP HB2 2 11 LEU QD . . 5.440 4.949 4.442 5.435 . 0 0 "[ . 1 . 2]" 1
2712 2 10 ASP HB3 2 11 LEU H . . 4.050 2.096 1.948 2.489 . 0 0 "[ . 1 . 2]" 1
2713 2 10 ASP HB3 2 11 LEU HB3 . . 5.500 5.496 5.331 5.537 0.037 12 0 "[ . 1 . 2]" 1
2714 2 10 ASP HB3 2 11 LEU QD . . 5.000 4.240 3.686 4.693 . 0 0 "[ . 1 . 2]" 1
2715 2 11 LEU H 2 11 LEU HB2 . . 4.010 2.426 2.205 2.571 . 0 0 "[ . 1 . 2]" 1
2716 2 11 LEU H 2 11 LEU HB3 . . 4.140 3.629 3.472 3.737 . 0 0 "[ . 1 . 2]" 1
2717 2 11 LEU H 2 11 LEU QD . . 4.530 2.830 2.311 3.424 . 0 0 "[ . 1 . 2]" 1
2718 2 11 LEU H 2 11 LEU HG . . 4.660 3.924 2.879 4.668 0.008 1 0 "[ . 1 . 2]" 1
2719 2 11 LEU H 2 13 LEU QD . . 5.170 4.471 4.101 5.125 . 0 0 "[ . 1 . 2]" 1
2720 2 11 LEU HA 2 11 LEU MD1 . . 3.870 2.720 1.946 3.856 . 0 0 "[ . 1 . 2]" 1
2721 2 11 LEU HA 2 11 LEU QD . . 2.960 2.065 1.904 2.365 . 0 0 "[ . 1 . 2]" 1
2722 2 11 LEU HA 2 11 LEU MD2 . . 3.870 3.133 1.958 3.884 0.014 5 0 "[ . 1 . 2]" 1
2723 2 11 LEU HA 2 11 LEU HG . . 3.860 2.964 2.539 3.658 . 0 0 "[ . 1 . 2]" 1
2724 2 11 LEU HA 2 12 ASN H . . 3.520 2.628 2.484 2.681 . 0 0 "[ . 1 . 2]" 1
2725 2 11 LEU HA 2 13 LEU QD . . 4.280 4.080 3.840 4.342 0.062 11 0 "[ . 1 . 2]" 1
2726 2 11 LEU HB2 2 11 LEU MD1 . . 3.390 2.552 2.399 3.177 . 0 0 "[ . 1 . 2]" 1
2727 2 11 LEU HB2 2 11 LEU QD . . 2.700 2.170 1.991 2.397 . 0 0 "[ . 1 . 2]" 1
2728 2 11 LEU HB2 2 11 LEU MD2 . . 3.390 2.529 2.059 3.194 . 0 0 "[ . 1 . 2]" 1
2729 2 11 LEU HB2 2 12 ASN H . . 3.860 3.356 3.159 3.552 . 0 0 "[ . 1 . 2]" 1
2730 2 11 LEU HB3 2 11 LEU MD1 . . 3.190 2.795 2.226 3.180 . 0 0 "[ . 1 . 2]" 1
2731 2 11 LEU HB3 2 11 LEU QD . . 2.510 2.307 2.060 2.517 0.007 6 0 "[ . 1 . 2]" 1
2732 2 11 LEU HB3 2 11 LEU MD2 . . 3.190 2.537 2.394 3.180 . 0 0 "[ . 1 . 2]" 1
2733 2 11 LEU HB3 2 12 ASN H . . 3.040 1.971 1.878 2.238 . 0 0 "[ . 1 . 2]" 1
2734 2 11 LEU HB3 2 12 ASN HB3 . . 4.660 4.282 4.039 4.585 . 0 0 "[ . 1 . 2]" 1
2735 2 11 LEU HB3 2 13 LEU H . . 4.600 2.925 2.334 3.233 . 0 0 "[ . 1 . 2]" 1
2736 2 11 LEU HB3 2 13 LEU QD . . 2.660 2.050 1.798 2.627 . 0 0 "[ . 1 . 2]" 1
2737 2 11 LEU HB3 2 14 PRO HD2 . . 4.150 2.715 2.173 3.208 . 0 0 "[ . 1 . 2]" 1
2738 2 11 LEU QD 2 12 ASN H . . 4.110 3.417 2.486 3.769 . 0 0 "[ . 1 . 2]" 1
2739 2 11 LEU QD 2 12 ASN HB3 . . 5.440 4.962 3.973 5.362 . 0 0 "[ . 1 . 2]" 1
2740 2 11 LEU QD 2 14 PRO HD3 . . 5.440 3.519 3.178 4.237 . 0 0 "[ . 1 . 2]" 1
2741 2 11 LEU HG 2 14 PRO HD3 . . 5.460 4.991 4.454 5.492 0.032 11 0 "[ . 1 . 2]" 1
2742 2 12 ASN H 2 12 ASN HB2 . . 3.640 3.537 3.109 3.643 0.003 11 0 "[ . 1 . 2]" 1
2743 2 12 ASN H 2 12 ASN HB3 . . 3.620 2.375 2.188 2.518 . 0 0 "[ . 1 . 2]" 1
2744 2 12 ASN H 2 12 ASN HD21 . . 4.620 2.245 1.784 3.637 . 0 0 "[ . 1 . 2]" 1
2745 2 12 ASN H 2 12 ASN HD22 . . 5.130 3.785 3.285 5.145 0.015 2 0 "[ . 1 . 2]" 1
2746 2 12 ASN H 2 13 LEU QD . . 3.540 2.707 2.403 2.948 . 0 0 "[ . 1 . 2]" 1
2747 2 12 ASN H 2 14 PRO HD2 . . 4.070 2.974 2.691 3.329 . 0 0 "[ . 1 . 2]" 1
2748 2 12 ASN H 2 14 PRO HD3 . . 4.720 4.343 4.092 4.673 . 0 0 "[ . 1 . 2]" 1
2749 2 12 ASN HB3 2 12 ASN HD21 . . 3.330 2.377 2.242 2.622 . 0 0 "[ . 1 . 2]" 1
2750 2 12 ASN HB3 2 12 ASN HD22 . . 4.000 3.538 3.482 3.643 . 0 0 "[ . 1 . 2]" 1
2751 2 12 ASN HD21 2 13 LEU QD . . 4.840 2.536 1.897 3.000 . 0 0 "[ . 1 . 2]" 1
2752 2 12 ASN HD21 2 14 PRO HD2 . . 4.350 4.077 3.841 4.380 0.030 16 0 "[ . 1 . 2]" 1
2753 2 12 ASN HD21 2 14 PRO HD3 . . 5.500 5.102 4.851 5.410 . 0 0 "[ . 1 . 2]" 1
2754 2 12 ASN HD22 2 14 PRO HD2 . . 5.470 4.846 4.503 5.513 0.043 13 0 "[ . 1 . 2]" 1
2755 2 13 LEU H 2 13 LEU QD . . 4.680 1.861 1.714 1.990 . 0 0 "[ . 1 . 2]" 1
2756 2 13 LEU H 2 13 LEU HG . . 4.280 1.993 1.850 3.608 . 0 0 "[ . 1 . 2]" 1
2757 2 13 LEU QB 2 14 PRO HD2 . . 4.310 2.886 2.842 2.921 . 0 0 "[ . 1 . 2]" 1
2758 2 13 LEU QB 2 14 PRO HD3 . . 3.380 1.889 1.852 1.923 . 0 0 "[ . 1 . 2]" 1
2759 2 13 LEU HB2 2 14 PRO HD3 . . 3.910 1.895 1.858 1.930 . 0 0 "[ . 1 . 2]" 1
2760 2 13 LEU HB3 2 14 PRO HD3 . . 3.910 3.603 3.574 3.632 . 0 0 "[ . 1 . 2]" 1
2761 2 13 LEU QD 2 14 PRO HD2 . . 3.690 2.285 1.949 3.468 . 0 0 "[ . 1 . 2]" 1
2762 2 13 LEU QD 2 14 PRO HD3 . . 3.360 2.155 1.898 3.306 . 0 0 "[ . 1 . 2]" 1
2763 2 13 LEU MD1 2 14 PRO HD2 . . 4.420 2.474 1.951 4.311 . 0 0 "[ . 1 . 2]" 1
2764 2 13 LEU MD1 2 14 PRO HD3 . . 4.060 2.285 1.903 4.149 0.089 16 0 "[ . 1 . 2]" 1
2765 2 13 LEU MD2 2 14 PRO HD2 . . 4.420 4.237 2.579 4.514 0.094 4 0 "[ . 1 . 2]" 1
2766 2 13 LEU MD2 2 14 PRO HD3 . . 4.060 3.761 2.160 4.008 . 0 0 "[ . 1 . 2]" 1
2767 2 13 LEU HG 2 14 PRO HD3 . . 4.330 3.641 2.501 4.213 . 0 0 "[ . 1 . 2]" 1
2768 2 14 PRO HA 2 15 PRO HD2 . . 3.190 2.270 1.923 2.568 . 0 0 "[ . 1 . 2]" 1
2769 2 14 PRO HA 2 15 PRO QD . . 2.690 2.027 1.859 2.196 . 0 0 "[ . 1 . 2]" 1
2770 2 14 PRO HA 2 15 PRO HD3 . . 3.190 2.308 2.263 2.469 . 0 0 "[ . 1 . 2]" 1
2771 2 14 PRO HA 2 15 PRO QG . . 4.660 3.936 3.777 4.116 . 0 0 "[ . 1 . 2]" 1
2772 2 14 PRO QB 2 15 PRO QD . . 3.640 2.493 1.935 3.304 . 0 0 "[ . 1 . 2]" 1
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