NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610944 |
5mfy   |
34068 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5mfy
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 1154
_Distance_constraint_stats_list.Viol_count 835
_Distance_constraint_stats_list.Viol_total 375.848
_Distance_constraint_stats_list.Viol_max 0.992
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0450
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 MET 0.000 0.000 . 0 "[ . 1]"
1 5 THR 0.953 0.300 7 0 "[ . 1]"
1 6 LYS 0.958 0.300 7 0 "[ . 1]"
1 7 TYR 0.716 0.119 4 0 "[ . 1]"
1 8 ALA 0.337 0.095 1 0 "[ . 1]"
1 9 VAL 0.670 0.063 5 0 "[ . 1]"
1 10 PRO 2.623 0.992 1 1 "[+ . 1]"
1 11 ASP 3.270 0.992 1 1 "[+ . 1]"
1 12 THR 1.783 0.173 10 0 "[ . 1]"
1 13 SER 0.808 0.236 1 0 "[ . 1]"
1 14 THR 1.719 0.841 1 1 "[+ . 1]"
1 15 TYR 0.606 0.085 5 0 "[ . 1]"
1 16 GLN 0.462 0.065 9 0 "[ . 1]"
1 17 TYR 0.372 0.044 10 0 "[ . 1]"
1 18 ASP 0.670 0.107 5 0 "[ . 1]"
1 19 GLU 3.445 0.358 3 0 "[ . 1]"
1 20 SER 1.677 0.358 3 0 "[ . 1]"
1 21 SER 1.817 0.230 7 0 "[ . 1]"
1 22 GLY 0.876 0.107 5 0 "[ . 1]"
1 23 TYR 0.685 0.087 6 0 "[ . 1]"
1 24 TYR 1.159 0.073 4 0 "[ . 1]"
1 25 TYR 1.023 0.058 2 0 "[ . 1]"
1 26 ASP 1.417 0.178 9 0 "[ . 1]"
1 27 PRO 0.688 0.105 7 0 "[ . 1]"
1 28 THR 0.529 0.105 7 0 "[ . 1]"
1 29 THR 0.588 0.083 3 0 "[ . 1]"
1 30 GLY 1.207 0.178 9 0 "[ . 1]"
1 31 LEU 2.103 0.110 7 0 "[ . 1]"
1 32 TYR 1.684 0.072 3 0 "[ . 1]"
1 33 TYR 0.873 0.068 10 0 "[ . 1]"
1 34 ASP 0.948 0.129 9 0 "[ . 1]"
1 35 PRO 2.238 0.117 2 0 "[ . 1]"
1 36 ASN 0.821 0.117 2 0 "[ . 1]"
1 37 SER 1.004 0.129 9 0 "[ . 1]"
1 38 GLN 0.528 0.070 5 0 "[ . 1]"
1 39 TYR 1.414 0.094 10 0 "[ . 1]"
1 40 TYR 0.907 0.068 7 0 "[ . 1]"
1 41 TYR 2.426 0.110 7 0 "[ . 1]"
1 42 ASN 1.309 0.083 9 0 "[ . 1]"
1 43 SER 0.402 0.066 3 0 "[ . 1]"
1 44 LEU 0.218 0.032 3 0 "[ . 1]"
1 45 THR 1.249 0.111 6 0 "[ . 1]"
1 46 GLN 1.103 0.111 6 0 "[ . 1]"
1 47 GLN 2.250 0.457 6 0 "[ . 1]"
1 48 TYR 2.954 0.120 3 0 "[ . 1]"
1 49 LEU 4.924 0.457 6 0 "[ . 1]"
1 50 TYR 1.614 0.131 3 0 "[ . 1]"
1 51 TRP 1.834 0.095 8 0 "[ . 1]"
1 52 ASP 1.223 0.091 7 0 "[ . 1]"
1 53 GLY 0.000 0.000 . 0 "[ . 1]"
1 54 GLU 0.089 0.062 7 0 "[ . 1]"
1 55 LYS 0.699 0.112 10 0 "[ . 1]"
1 56 GLU 0.385 0.095 8 0 "[ . 1]"
1 57 THR 0.444 0.112 10 0 "[ . 1]"
1 58 TYR 0.895 0.096 8 0 "[ . 1]"
1 59 VAL 2.024 0.161 1 0 "[ . 1]"
1 60 PRO 1.211 0.161 1 0 "[ . 1]"
1 61 ALA 0.659 0.117 2 0 "[ . 1]"
1 62 ALA 0.074 0.041 9 0 "[ . 1]"
1 63 GLU 0.033 0.033 9 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA MB 1 3 MET H 5.500 . 5.500 2.744 1.851 3.719 . 0 0 "[ . 1]" 1
2 1 3 MET H 1 3 MET ME 5.500 . 5.500 4.723 4.064 5.235 . 0 0 "[ . 1]" 1
3 1 5 THR H 1 5 THR MG 4.660 . 4.660 3.100 2.297 3.897 . 0 0 "[ . 1]" 1
4 1 5 THR HA 1 5 THR HB 2.950 . 2.950 2.746 2.469 3.015 0.065 5 0 "[ . 1]" 1
5 1 5 THR HA 1 5 THR MG 3.060 . 3.060 2.360 2.199 3.200 0.140 8 0 "[ . 1]" 1
6 1 5 THR HA 1 6 LYS H 3.210 . 3.210 2.254 2.125 2.684 . 0 0 "[ . 1]" 1
7 1 5 THR HB 1 6 LYS H 4.010 . 4.010 3.813 1.943 4.310 0.300 7 0 "[ . 1]" 1
8 1 5 THR MG 1 6 LYS H 4.430 . 4.430 3.493 2.602 4.119 . 0 0 "[ . 1]" 1
9 1 6 LYS H 1 6 LYS HB2 3.810 . 3.810 2.712 2.482 3.807 . 0 0 "[ . 1]" 1
10 1 6 LYS H 1 6 LYS QB 3.280 . 3.280 2.553 2.393 2.990 . 0 0 "[ . 1]" 1
11 1 6 LYS H 1 6 LYS HB3 3.810 . 3.810 3.514 2.606 3.836 0.026 5 0 "[ . 1]" 1
12 1 6 LYS H 1 6 LYS QG 4.400 . 4.400 2.607 2.140 4.111 . 0 0 "[ . 1]" 1
13 1 6 LYS HA 1 6 LYS QD 4.420 . 4.420 3.312 1.937 4.269 . 0 0 "[ . 1]" 1
14 1 6 LYS HA 1 7 TYR QD 4.690 . 4.690 4.603 4.185 4.752 0.062 4 0 "[ . 1]" 1
15 1 6 LYS QB 1 7 TYR H 3.120 . 3.120 2.264 1.811 2.546 . 0 0 "[ . 1]" 1
16 1 6 LYS QB 1 7 TYR HB2 3.810 . 3.810 3.731 3.557 3.929 0.119 4 0 "[ . 1]" 1
17 1 6 LYS HB2 1 7 TYR H 3.750 . 3.750 2.416 1.824 3.727 . 0 0 "[ . 1]" 1
18 1 6 LYS HB3 1 7 TYR H 3.750 . 3.750 3.372 2.529 3.766 0.016 6 0 "[ . 1]" 1
19 1 6 LYS QG 1 7 TYR H 4.690 . 4.690 3.715 2.668 3.934 . 0 0 "[ . 1]" 1
20 1 7 TYR H 1 7 TYR HB2 3.450 . 3.450 2.581 2.355 2.768 . 0 0 "[ . 1]" 1
21 1 7 TYR H 1 7 TYR HB3 3.960 . 3.960 3.729 3.593 3.847 . 0 0 "[ . 1]" 1
22 1 7 TYR H 1 7 TYR QD 3.930 . 3.930 2.917 2.271 3.307 . 0 0 "[ . 1]" 1
23 1 7 TYR HA 1 7 TYR QD 3.200 . 3.200 2.946 2.832 3.119 . 0 0 "[ . 1]" 1
24 1 7 TYR HA 1 7 TYR QE 4.610 . 4.610 4.613 4.540 4.679 0.069 4 0 "[ . 1]" 1
25 1 7 TYR HA 1 8 ALA H 3.210 . 3.210 2.156 2.135 2.182 . 0 0 "[ . 1]" 1
26 1 7 TYR HB2 1 8 ALA H 4.600 . 4.600 4.384 4.230 4.523 . 0 0 "[ . 1]" 1
27 1 7 TYR HB2 1 51 TRP HH2 4.180 . 4.180 2.805 2.291 3.330 . 0 0 "[ . 1]" 1
28 1 7 TYR HB2 1 51 TRP HZ3 4.160 . 4.160 3.637 2.840 4.169 0.009 1 0 "[ . 1]" 1
29 1 7 TYR HB3 1 8 ALA H 3.890 . 3.890 3.596 3.207 3.895 0.005 1 0 "[ . 1]" 1
30 1 7 TYR HB3 1 51 TRP HH2 4.670 . 4.670 2.388 1.450 3.189 . 0 0 "[ . 1]" 1
31 1 7 TYR HB3 1 51 TRP HZ3 4.660 . 4.660 2.696 2.417 2.866 . 0 0 "[ . 1]" 1
32 1 7 TYR HB3 1 58 TYR QE 4.870 . 4.870 4.178 3.586 4.827 . 0 0 "[ . 1]" 1
33 1 7 TYR QD 1 8 ALA H 4.600 . 4.600 4.357 4.132 4.528 . 0 0 "[ . 1]" 1
34 1 7 TYR QD 1 29 THR MG 4.340 . 4.340 4.046 3.104 4.378 0.038 9 0 "[ . 1]" 1
35 1 7 TYR QD 1 51 TRP HZ3 4.360 . 4.360 3.736 2.611 4.436 0.076 7 0 "[ . 1]" 1
36 1 7 TYR QD 1 58 TYR QE 3.610 . 3.610 3.146 2.679 3.550 . 0 0 "[ . 1]" 1
37 1 7 TYR QE 1 29 THR MG 4.000 . 4.000 2.913 2.152 4.045 0.045 6 0 "[ . 1]" 1
38 1 8 ALA H 1 8 ALA MB 3.280 . 3.280 2.392 2.308 2.532 . 0 0 "[ . 1]" 1
39 1 8 ALA HA 1 9 VAL H 2.860 . 2.860 2.611 2.525 2.731 . 0 0 "[ . 1]" 1
40 1 8 ALA HA 1 51 TRP HE1 5.490 . 5.490 5.056 4.911 5.179 . 0 0 "[ . 1]" 1
41 1 8 ALA MB 1 9 VAL H 3.410 . 3.410 2.068 1.898 2.171 . 0 0 "[ . 1]" 1
42 1 8 ALA MB 1 9 VAL HA 5.220 . 5.220 4.231 4.167 4.281 . 0 0 "[ . 1]" 1
43 1 8 ALA MB 1 51 TRP HE1 5.500 . 5.500 5.502 5.237 5.595 0.095 1 0 "[ . 1]" 1
44 1 9 VAL H 1 9 VAL HB 3.670 . 3.670 3.623 3.604 3.644 . 0 0 "[ . 1]" 1
45 1 9 VAL H 1 9 VAL MG1 3.000 . 3.000 2.256 2.142 2.421 . 0 0 "[ . 1]" 1
46 1 9 VAL H 1 9 VAL MG2 3.150 . 3.150 1.973 1.809 2.093 . 0 0 "[ . 1]" 1
47 1 9 VAL H 1 10 PRO HD2 5.170 . 5.170 5.027 4.780 5.233 0.063 5 0 "[ . 1]" 1
48 1 9 VAL H 1 10 PRO QD 4.400 . 4.400 4.204 4.126 4.295 . 0 0 "[ . 1]" 1
49 1 9 VAL H 1 10 PRO HD3 5.170 . 5.170 4.517 4.394 4.614 . 0 0 "[ . 1]" 1
50 1 9 VAL HA 1 9 VAL MG1 3.340 . 3.340 2.297 2.244 2.339 . 0 0 "[ . 1]" 1
51 1 9 VAL HA 1 9 VAL MG2 3.260 . 3.260 3.210 3.199 3.218 . 0 0 "[ . 1]" 1
52 1 9 VAL HA 1 10 PRO HD2 3.880 . 3.880 2.351 2.029 2.640 . 0 0 "[ . 1]" 1
53 1 9 VAL HA 1 10 PRO QD 3.240 . 3.240 1.867 1.759 1.925 . 0 0 "[ . 1]" 1
54 1 9 VAL HA 1 10 PRO HD3 3.880 . 3.880 2.015 1.786 2.312 . 0 0 "[ . 1]" 1
55 1 9 VAL HA 1 10 PRO HG2 5.240 . 5.240 4.370 4.211 4.485 . 0 0 "[ . 1]" 1
56 1 9 VAL HA 1 10 PRO HG3 4.830 . 4.830 4.189 3.989 4.344 . 0 0 "[ . 1]" 1
57 1 9 VAL HA 1 51 TRP HD1 4.540 . 4.540 3.809 3.618 3.974 . 0 0 "[ . 1]" 1
58 1 9 VAL HA 1 51 TRP HE1 3.580 . 3.580 2.673 2.477 2.945 . 0 0 "[ . 1]" 1
59 1 9 VAL HA 1 51 TRP HH2 5.100 . 5.100 4.986 4.749 5.131 0.031 2 0 "[ . 1]" 1
60 1 9 VAL HB 1 10 PRO QD 4.420 . 4.420 2.922 2.564 3.129 . 0 0 "[ . 1]" 1
61 1 9 VAL HB 1 51 TRP HD1 5.360 . 5.360 4.348 4.121 4.493 . 0 0 "[ . 1]" 1
62 1 9 VAL HB 1 51 TRP HZ2 5.500 . 5.500 5.506 5.301 5.557 0.057 3 0 "[ . 1]" 1
63 1 9 VAL MG1 1 51 TRP HE1 3.380 . 3.380 1.688 1.487 1.810 . 0 0 "[ . 1]" 1
64 1 9 VAL MG1 1 51 TRP HZ2 3.640 . 3.640 3.331 3.172 3.444 . 0 0 "[ . 1]" 1
65 1 9 VAL MG2 1 51 TRP HD1 5.500 . 5.500 5.482 5.311 5.553 0.053 9 0 "[ . 1]" 1
66 1 9 VAL MG2 1 51 TRP HZ2 5.050 . 5.050 4.943 4.732 5.076 0.026 9 0 "[ . 1]" 1
67 1 10 PRO HA 1 11 ASP H 2.840 . 2.840 2.134 2.082 2.227 . 0 0 "[ . 1]" 1
68 1 10 PRO HA 1 11 ASP HA 5.050 . 5.050 4.386 4.367 4.418 . 0 0 "[ . 1]" 1
69 1 10 PRO HA 1 11 ASP HB2 4.710 . 4.710 4.646 4.398 5.702 0.992 1 1 "[+ . 1]" 1
70 1 10 PRO HA 1 12 THR MG 5.500 . 5.500 5.614 5.550 5.673 0.173 10 0 "[ . 1]" 1
71 1 10 PRO HA 1 15 TYR QE 5.450 . 5.450 4.614 3.953 5.147 . 0 0 "[ . 1]" 1
72 1 10 PRO QB 1 11 ASP HA 5.340 . 5.340 4.347 4.095 4.489 . 0 0 "[ . 1]" 1
73 1 10 PRO QB 1 58 TYR QE 4.090 . 4.090 3.619 3.172 4.041 . 0 0 "[ . 1]" 1
74 1 10 PRO HB2 1 11 ASP H 3.990 . 3.990 3.429 3.047 3.529 . 0 0 "[ . 1]" 1
75 1 10 PRO HB2 1 15 TYR QE 5.110 . 5.110 3.472 2.879 3.720 . 0 0 "[ . 1]" 1
76 1 10 PRO HB2 1 40 TYR QE 4.930 . 4.930 3.896 3.587 4.047 . 0 0 "[ . 1]" 1
77 1 10 PRO HB3 1 11 ASP H 3.990 . 3.990 3.922 3.578 4.001 0.011 9 0 "[ . 1]" 1
78 1 10 PRO HB3 1 15 TYR QE 5.110 . 5.110 4.165 3.434 4.583 . 0 0 "[ . 1]" 1
79 1 10 PRO HB3 1 40 TYR QE 4.930 . 4.930 4.697 4.327 4.932 0.002 1 0 "[ . 1]" 1
80 1 10 PRO QD 1 51 TRP HD1 4.700 . 4.700 3.106 2.785 3.360 . 0 0 "[ . 1]" 1
81 1 10 PRO QD 1 51 TRP HE1 3.980 . 3.980 3.364 3.018 3.625 . 0 0 "[ . 1]" 1
82 1 10 PRO HD2 1 51 TRP HD1 5.500 . 5.500 3.294 2.994 3.769 . 0 0 "[ . 1]" 1
83 1 10 PRO HD2 1 51 TRP HE1 4.530 . 4.530 3.878 3.370 4.467 . 0 0 "[ . 1]" 1
84 1 10 PRO HD3 1 51 TRP HD1 5.500 . 5.500 3.920 3.141 4.550 . 0 0 "[ . 1]" 1
85 1 10 PRO HD3 1 51 TRP HE1 4.530 . 4.530 3.760 3.163 4.177 . 0 0 "[ . 1]" 1
86 1 10 PRO HG2 1 11 ASP H 4.980 . 4.980 4.972 4.885 5.030 0.050 2 0 "[ . 1]" 1
87 1 10 PRO HG2 1 11 ASP HA 5.500 . 5.500 5.179 4.999 5.326 . 0 0 "[ . 1]" 1
88 1 10 PRO HG2 1 40 TYR QE 4.490 . 4.490 3.509 3.229 3.838 . 0 0 "[ . 1]" 1
89 1 10 PRO HG2 1 51 TRP H 5.500 . 5.500 5.456 5.229 5.585 0.085 2 0 "[ . 1]" 1
90 1 10 PRO HG2 1 51 TRP HB2 4.820 . 4.820 3.570 3.301 3.833 . 0 0 "[ . 1]" 1
91 1 10 PRO HG2 1 51 TRP HB3 5.340 . 5.340 3.804 3.550 4.025 . 0 0 "[ . 1]" 1
92 1 10 PRO HG3 1 40 TYR QE 4.830 . 4.830 3.826 3.645 4.088 . 0 0 "[ . 1]" 1
93 1 10 PRO HG3 1 51 TRP HB2 5.220 . 5.220 2.928 2.647 3.195 . 0 0 "[ . 1]" 1
94 1 10 PRO HG3 1 51 TRP HB3 5.500 . 5.500 3.895 3.311 4.300 . 0 0 "[ . 1]" 1
95 1 10 PRO HG3 1 58 TYR QD 5.500 . 5.500 4.567 4.090 4.889 . 0 0 "[ . 1]" 1
96 1 10 PRO HG3 1 58 TYR QE 4.040 . 4.040 2.522 1.976 2.841 . 0 0 "[ . 1]" 1
97 1 11 ASP H 1 11 ASP HB2 3.330 . 3.330 2.782 2.341 3.714 0.384 1 0 "[ . 1]" 1
98 1 11 ASP H 1 11 ASP HB3 3.600 . 3.600 3.026 2.426 3.672 0.072 2 0 "[ . 1]" 1
99 1 11 ASP H 1 15 TYR QE 5.010 . 5.010 4.213 2.965 4.896 . 0 0 "[ . 1]" 1
100 1 11 ASP HA 1 12 THR H 3.070 . 3.070 2.158 2.100 2.201 . 0 0 "[ . 1]" 1
101 1 11 ASP HA 1 12 THR MG 3.980 . 3.980 3.679 3.472 3.900 . 0 0 "[ . 1]" 1
102 1 11 ASP HA 1 13 SER H 4.300 . 4.300 3.632 3.539 3.812 . 0 0 "[ . 1]" 1
103 1 11 ASP HA 1 13 SER QB 5.340 . 5.340 5.124 4.748 5.260 . 0 0 "[ . 1]" 1
104 1 11 ASP HA 1 14 THR MG 5.500 . 5.500 5.168 4.400 5.602 0.102 5 0 "[ . 1]" 1
105 1 11 ASP HB2 1 12 THR H 4.780 . 4.780 4.139 3.384 4.303 . 0 0 "[ . 1]" 1
106 1 11 ASP HB2 1 13 SER QB 5.270 . 5.270 4.511 3.212 5.056 . 0 0 "[ . 1]" 1
107 1 11 ASP HB2 1 14 THR H 5.070 . 5.070 4.280 3.322 5.093 0.023 10 0 "[ . 1]" 1
108 1 11 ASP HB3 1 12 THR H 4.190 . 4.190 3.794 3.127 4.276 0.086 1 0 "[ . 1]" 1
109 1 11 ASP HB3 1 13 SER H 4.030 . 4.030 3.356 2.504 4.266 0.236 1 0 "[ . 1]" 1
110 1 11 ASP HB3 1 13 SER QB 4.480 . 4.480 3.805 2.981 4.642 0.162 1 0 "[ . 1]" 1
111 1 11 ASP HB3 1 14 THR H 4.320 . 4.320 3.548 2.926 5.161 0.841 1 1 "[+ . 1]" 1
112 1 12 THR H 1 12 THR MG 3.220 . 3.220 2.475 2.342 2.794 . 0 0 "[ . 1]" 1
113 1 12 THR H 1 13 SER QB 4.990 . 4.990 4.554 4.246 4.835 . 0 0 "[ . 1]" 1
114 1 12 THR HA 1 15 TYR QE 4.010 . 4.010 3.079 2.745 3.585 . 0 0 "[ . 1]" 1
115 1 12 THR HB 1 15 TYR H 5.080 . 5.080 4.847 4.490 5.096 0.016 7 0 "[ . 1]" 1
116 1 12 THR HB 1 15 TYR QB . . 5.110 3.759 3.242 4.083 . 0 0 "[ . 1]" 1
117 1 12 THR HB 1 15 TYR QD 5.100 . 5.100 3.361 2.800 4.014 . 0 0 "[ . 1]" 1
118 1 12 THR HB 1 15 TYR QE 4.770 . 4.770 4.156 3.660 4.855 0.085 5 0 "[ . 1]" 1
119 1 12 THR HB 1 24 TYR QE 5.300 . 5.300 4.947 4.622 5.290 . 0 0 "[ . 1]" 1
120 1 12 THR MG 1 13 SER H 4.630 . 4.630 4.199 4.130 4.257 . 0 0 "[ . 1]" 1
121 1 12 THR MG 1 15 TYR QD 3.550 . 3.550 2.905 2.624 3.353 . 0 0 "[ . 1]" 1
122 1 12 THR MG 1 15 TYR QE 3.430 . 3.430 2.216 1.785 3.130 . 0 0 "[ . 1]" 1
123 1 12 THR MG 1 33 TYR H 5.500 . 5.500 5.455 5.308 5.566 0.066 9 0 "[ . 1]" 1
124 1 12 THR MG 1 33 TYR HB3 3.530 . 3.530 3.560 3.512 3.598 0.068 10 0 "[ . 1]" 1
125 1 12 THR MG 1 33 TYR QD 4.340 . 4.340 3.045 2.954 3.289 . 0 0 "[ . 1]" 1
126 1 12 THR MG 1 33 TYR QE 3.860 . 3.860 2.994 2.800 3.355 . 0 0 "[ . 1]" 1
127 1 12 THR MG 1 40 TYR QE 4.710 . 4.710 3.526 2.949 4.171 . 0 0 "[ . 1]" 1
128 1 13 SER H 1 13 SER QB 3.110 . 3.110 2.483 2.247 2.611 . 0 0 "[ . 1]" 1
129 1 13 SER H 1 14 THR H 3.420 . 3.420 2.425 1.985 2.593 . 0 0 "[ . 1]" 1
130 1 13 SER H 1 14 THR MG 4.790 . 4.790 4.141 3.688 4.983 0.193 5 0 "[ . 1]" 1
131 1 13 SER H 1 15 TYR H 4.660 . 4.660 4.047 3.506 4.256 . 0 0 "[ . 1]" 1
132 1 13 SER HA 1 15 TYR H 4.770 . 4.770 3.556 3.413 3.681 . 0 0 "[ . 1]" 1
133 1 13 SER HA 1 15 TYR QB 5.500 . 5.500 4.589 4.363 4.769 . 0 0 "[ . 1]" 1
134 1 13 SER QB 1 14 THR H 4.080 . 4.080 2.995 2.594 3.246 . 0 0 "[ . 1]" 1
135 1 13 SER QB 1 14 THR MG 5.050 . 5.050 3.543 3.031 5.228 0.178 5 0 "[ . 1]" 1
136 1 13 SER QB 1 15 TYR H 5.320 . 5.320 4.519 4.351 4.643 . 0 0 "[ . 1]" 1
137 1 14 THR H 1 14 THR MG 3.290 . 3.290 2.665 1.984 3.495 0.205 5 0 "[ . 1]" 1
138 1 14 THR H 1 15 TYR HA 4.890 . 4.890 4.825 4.711 4.947 0.057 5 0 "[ . 1]" 1
139 1 14 THR H 1 15 TYR QB 4.780 . 4.780 4.367 4.229 4.503 . 0 0 "[ . 1]" 1
140 1 14 THR HA 1 14 THR MG 3.310 . 3.310 2.506 2.255 3.219 . 0 0 "[ . 1]" 1
141 1 14 THR MG 1 15 TYR H 4.630 . 4.630 4.032 3.194 4.386 . 0 0 "[ . 1]" 1
142 1 15 TYR H 1 15 TYR QB 3.150 . 3.150 2.360 2.285 2.412 . 0 0 "[ . 1]" 1
143 1 15 TYR H 1 16 GLN H 4.720 . 4.720 4.544 4.500 4.580 . 0 0 "[ . 1]" 1
144 1 15 TYR H 1 16 GLN QG 5.320 . 5.320 5.236 5.113 5.349 0.029 4 0 "[ . 1]" 1
145 1 15 TYR HA 1 15 TYR QD 3.030 . 3.030 2.069 1.855 2.577 . 0 0 "[ . 1]" 1
146 1 15 TYR HA 1 15 TYR QE 4.500 . 4.500 4.300 4.213 4.466 . 0 0 "[ . 1]" 1
147 1 15 TYR HA 1 16 GLN H 2.730 . 2.730 2.412 2.326 2.498 . 0 0 "[ . 1]" 1
148 1 15 TYR HA 1 16 GLN QG 4.520 . 4.520 3.363 3.090 3.518 . 0 0 "[ . 1]" 1
149 1 15 TYR HA 1 26 ASP HA 3.950 . 3.950 3.486 3.208 3.903 . 0 0 "[ . 1]" 1
150 1 15 TYR HA 1 27 PRO QD 3.580 . 3.580 2.645 2.109 2.972 . 0 0 "[ . 1]" 1
151 1 15 TYR HA 1 27 PRO HG3 5.190 . 5.190 4.006 3.401 4.301 . 0 0 "[ . 1]" 1
152 1 15 TYR QB 1 16 GLN H 3.730 . 3.730 2.298 2.165 2.484 . 0 0 "[ . 1]" 1
153 1 15 TYR QB 1 16 GLN HA 5.500 . 5.500 4.131 4.034 4.241 . 0 0 "[ . 1]" 1
154 1 15 TYR QB 1 16 GLN QG 5.340 . 5.340 4.338 4.137 4.494 . 0 0 "[ . 1]" 1
155 1 15 TYR QB 1 17 TYR HA 5.500 . 5.500 4.475 4.360 4.585 . 0 0 "[ . 1]" 1
156 1 15 TYR QB 1 24 TYR HA . . 5.000 3.537 3.329 3.803 . 0 0 "[ . 1]" 1
157 1 15 TYR QB 1 24 TYR QD 3.990 . 3.990 2.464 2.303 2.552 . 0 0 "[ . 1]" 1
158 1 15 TYR QB 1 24 TYR QE 4.510 . 4.510 4.226 4.020 4.341 . 0 0 "[ . 1]" 1
159 1 15 TYR QB 1 25 TYR H 5.500 . 5.500 3.496 3.346 3.866 . 0 0 "[ . 1]" 1
160 1 15 TYR QB 1 26 ASP HA 5.430 . 5.430 3.768 3.517 3.954 . 0 0 "[ . 1]" 1
161 1 15 TYR QB 1 27 PRO QD 4.540 . 4.540 3.782 3.186 4.039 . 0 0 "[ . 1]" 1
162 1 15 TYR QD 1 16 GLN H 4.010 . 4.010 3.927 3.717 4.069 0.059 2 0 "[ . 1]" 1
163 1 15 TYR QD 1 24 TYR HA 5.390 . 5.390 4.609 4.149 5.070 . 0 0 "[ . 1]" 1
164 1 15 TYR QD 1 24 TYR HB2 4.170 . 4.170 2.727 2.395 3.122 . 0 0 "[ . 1]" 1
165 1 15 TYR QD 1 26 ASP HA 4.040 . 4.040 3.040 2.552 3.641 . 0 0 "[ . 1]" 1
166 1 15 TYR QD 1 26 ASP QB 4.440 . 4.440 3.672 3.160 4.489 0.049 6 0 "[ . 1]" 1
167 1 15 TYR QD 1 27 PRO QD 4.630 . 4.630 2.878 2.115 3.830 . 0 0 "[ . 1]" 1
168 1 15 TYR QD 1 33 TYR HB2 4.690 . 4.690 3.227 2.829 3.694 . 0 0 "[ . 1]" 1
169 1 15 TYR QD 1 33 TYR HB3 4.110 . 4.110 2.572 2.350 2.888 . 0 0 "[ . 1]" 1
170 1 15 TYR QD 1 33 TYR QD 3.940 . 3.940 3.620 3.335 3.950 0.010 1 0 "[ . 1]" 1
171 1 15 TYR QE 1 24 TYR HB2 5.280 . 5.280 4.420 4.074 4.897 . 0 0 "[ . 1]" 1
172 1 15 TYR QE 1 26 ASP HA 4.220 . 4.220 3.546 3.206 3.919 . 0 0 "[ . 1]" 1
173 1 15 TYR QE 1 26 ASP QB 3.770 . 3.770 3.006 2.314 3.821 0.051 6 0 "[ . 1]" 1
174 1 15 TYR QE 1 27 PRO QD 5.210 . 5.210 3.799 2.984 4.509 . 0 0 "[ . 1]" 1
175 1 15 TYR QE 1 33 TYR HB2 3.800 . 3.800 2.348 1.931 2.944 . 0 0 "[ . 1]" 1
176 1 15 TYR QE 1 33 TYR HB3 3.690 . 3.690 3.166 2.568 3.685 . 0 0 "[ . 1]" 1
177 1 15 TYR QE 1 33 TYR QD 3.760 . 3.760 3.595 3.203 3.789 0.029 3 0 "[ . 1]" 1
178 1 15 TYR QE 1 40 TYR QD 4.750 . 4.750 4.000 3.022 4.771 0.021 9 0 "[ . 1]" 1
179 1 15 TYR QE 1 40 TYR QE 3.330 . 3.330 2.213 1.424 3.069 . 0 0 "[ . 1]" 1
180 1 16 GLN H 1 16 GLN HB2 3.220 . 3.220 2.613 2.502 2.725 . 0 0 "[ . 1]" 1
181 1 16 GLN H 1 16 GLN QG 3.600 . 3.600 2.590 2.313 2.762 . 0 0 "[ . 1]" 1
182 1 16 GLN H 1 24 TYR QD 4.280 . 4.280 4.208 4.090 4.317 0.037 7 0 "[ . 1]" 1
183 1 16 GLN H 1 25 TYR HB3 4.010 . 4.010 3.195 3.012 3.573 . 0 0 "[ . 1]" 1
184 1 16 GLN H 1 25 TYR QD 4.450 . 4.450 3.832 3.702 4.057 . 0 0 "[ . 1]" 1
185 1 16 GLN H 1 26 ASP HA 4.510 . 4.510 4.047 3.864 4.257 . 0 0 "[ . 1]" 1
186 1 16 GLN H 1 27 PRO QD 3.950 . 3.950 3.096 2.864 3.557 . 0 0 "[ . 1]" 1
187 1 16 GLN H 1 27 PRO HG3 4.960 . 4.960 4.185 3.251 4.600 . 0 0 "[ . 1]" 1
188 1 16 GLN HA 1 16 GLN QG 3.380 . 3.380 2.525 2.458 2.608 . 0 0 "[ . 1]" 1
189 1 16 GLN HA 1 17 TYR H 3.020 . 3.020 2.192 2.163 2.225 . 0 0 "[ . 1]" 1
190 1 16 GLN HA 1 17 TYR HB2 5.500 . 5.500 4.692 4.568 4.792 . 0 0 "[ . 1]" 1
191 1 16 GLN HA 1 17 TYR HB3 5.500 . 5.500 4.668 4.609 4.766 . 0 0 "[ . 1]" 1
192 1 16 GLN HA 1 24 TYR QE 5.500 . 5.500 5.493 5.421 5.565 0.065 9 0 "[ . 1]" 1
193 1 16 GLN HB2 1 25 TYR H 4.110 . 4.110 3.627 3.486 3.853 . 0 0 "[ . 1]" 1
194 1 16 GLN HB2 1 25 TYR HB3 3.550 . 3.550 2.231 2.079 2.401 . 0 0 "[ . 1]" 1
195 1 16 GLN HB2 1 25 TYR QD 3.860 . 3.860 2.597 2.395 2.798 . 0 0 "[ . 1]" 1
196 1 16 GLN HB2 1 25 TYR QE 5.120 . 5.120 4.841 4.650 5.034 . 0 0 "[ . 1]" 1
197 1 16 GLN HB2 1 27 PRO QD 5.300 . 5.300 4.045 3.430 4.778 . 0 0 "[ . 1]" 1
198 1 16 GLN HB3 1 17 TYR H 3.850 . 3.850 3.763 3.615 3.840 . 0 0 "[ . 1]" 1
199 1 16 GLN HB3 1 25 TYR HB3 4.050 . 4.050 3.783 3.654 3.952 . 0 0 "[ . 1]" 1
200 1 16 GLN QE 1 27 PRO HB2 4.690 . 4.690 3.923 3.448 4.337 . 0 0 "[ . 1]" 1
201 1 16 GLN QE 1 27 PRO HB3 4.550 . 4.550 2.908 2.367 3.806 . 0 0 "[ . 1]" 1
202 1 16 GLN QE 1 27 PRO QD 5.090 . 5.090 3.397 2.161 4.275 . 0 0 "[ . 1]" 1
203 1 16 GLN QE 1 27 PRO HG3 3.880 . 3.880 2.322 1.812 2.920 . 0 0 "[ . 1]" 1
204 1 16 GLN HE21 1 27 PRO HB2 5.500 . 5.500 4.622 4.050 5.069 . 0 0 "[ . 1]" 1
205 1 16 GLN HE22 1 27 PRO HB2 5.500 . 5.500 4.285 3.650 5.084 . 0 0 "[ . 1]" 1
206 1 16 GLN QG 1 25 TYR QD 4.450 . 4.450 3.368 2.934 3.634 . 0 0 "[ . 1]" 1
207 1 16 GLN QG 1 25 TYR QE 5.340 . 5.340 4.848 4.527 5.146 . 0 0 "[ . 1]" 1
208 1 16 GLN QG 1 26 ASP HA 5.340 . 5.340 5.100 4.571 5.396 0.056 2 0 "[ . 1]" 1
209 1 16 GLN QG 1 27 PRO QD 4.180 . 4.180 3.169 2.445 3.810 . 0 0 "[ . 1]" 1
210 1 16 GLN QG 1 27 PRO HG3 4.390 . 4.390 2.741 2.136 3.123 . 0 0 "[ . 1]" 1
211 1 17 TYR H 1 17 TYR HB2 2.710 . 2.710 2.595 2.522 2.664 . 0 0 "[ . 1]" 1
212 1 17 TYR H 1 17 TYR HB3 3.580 . 3.580 2.539 2.465 2.631 . 0 0 "[ . 1]" 1
213 1 17 TYR H 1 17 TYR QD 4.620 . 4.620 4.214 4.191 4.225 . 0 0 "[ . 1]" 1
214 1 17 TYR H 1 18 ASP H 4.830 . 4.830 4.458 4.400 4.522 . 0 0 "[ . 1]" 1
215 1 17 TYR H 1 24 TYR QD 4.570 . 4.570 3.402 3.301 3.589 . 0 0 "[ . 1]" 1
216 1 17 TYR H 1 24 TYR QE 4.650 . 4.650 4.036 3.908 4.198 . 0 0 "[ . 1]" 1
217 1 17 TYR HA 1 17 TYR QD 2.930 . 2.930 2.620 2.430 2.828 . 0 0 "[ . 1]" 1
218 1 17 TYR HA 1 18 ASP H 2.920 . 2.920 2.122 2.099 2.141 . 0 0 "[ . 1]" 1
219 1 17 TYR HA 1 18 ASP QB 5.340 . 5.340 4.103 4.052 4.168 . 0 0 "[ . 1]" 1
220 1 17 TYR HA 1 23 TYR HA 5.500 . 5.500 5.323 5.194 5.499 . 0 0 "[ . 1]" 1
221 1 17 TYR HA 1 24 TYR HA 3.250 . 3.250 1.985 1.864 2.111 . 0 0 "[ . 1]" 1
222 1 17 TYR HA 1 24 TYR HB2 5.500 . 5.500 4.771 4.650 4.864 . 0 0 "[ . 1]" 1
223 1 17 TYR HA 1 24 TYR HB3 5.260 . 5.260 4.092 3.971 4.206 . 0 0 "[ . 1]" 1
224 1 17 TYR HA 1 24 TYR QD 4.180 . 4.180 3.239 3.096 3.338 . 0 0 "[ . 1]" 1
225 1 17 TYR HA 1 24 TYR QE 4.270 . 4.270 4.287 4.261 4.310 0.040 4 0 "[ . 1]" 1
226 1 17 TYR HA 1 25 TYR H 4.010 . 4.010 3.026 2.850 3.214 . 0 0 "[ . 1]" 1
227 1 17 TYR HB2 1 24 TYR HA 5.140 . 5.140 3.845 3.616 4.054 . 0 0 "[ . 1]" 1
228 1 17 TYR HB2 1 24 TYR QE 3.410 . 3.410 2.552 2.292 2.900 . 0 0 "[ . 1]" 1
229 1 17 TYR HB3 1 24 TYR HA 5.390 . 5.390 4.892 4.777 5.041 . 0 0 "[ . 1]" 1
230 1 17 TYR HB3 1 24 TYR QE 4.500 . 4.500 4.026 3.626 4.508 0.008 3 0 "[ . 1]" 1
231 1 17 TYR QD 1 18 ASP H 3.820 . 3.820 3.578 3.420 3.686 . 0 0 "[ . 1]" 1
232 1 17 TYR QD 1 19 GLU H 4.660 . 4.660 4.223 3.856 4.583 . 0 0 "[ . 1]" 1
233 1 17 TYR QD 1 19 GLU HA 4.830 . 4.830 3.918 3.614 4.268 . 0 0 "[ . 1]" 1
234 1 17 TYR QD 1 19 GLU HB3 4.440 . 4.440 3.471 2.838 4.265 . 0 0 "[ . 1]" 1
235 1 17 TYR QD 1 23 TYR H 5.500 . 5.500 4.861 4.571 5.137 . 0 0 "[ . 1]" 1
236 1 17 TYR QD 1 23 TYR HA 4.670 . 4.670 4.267 4.036 4.514 . 0 0 "[ . 1]" 1
237 1 17 TYR QD 1 24 TYR H 4.800 . 4.800 3.986 3.583 4.251 . 0 0 "[ . 1]" 1
238 1 17 TYR QD 1 24 TYR HA 3.730 . 3.730 3.154 2.706 3.516 . 0 0 "[ . 1]" 1
239 1 17 TYR QD 1 24 TYR QD 4.070 . 4.070 3.195 3.064 3.315 . 0 0 "[ . 1]" 1
240 1 17 TYR QD 1 24 TYR QE 3.630 . 3.630 3.241 3.074 3.484 . 0 0 "[ . 1]" 1
241 1 17 TYR QE 1 18 ASP H 4.690 . 4.690 4.650 4.437 4.734 0.044 10 0 "[ . 1]" 1
242 1 17 TYR QE 1 19 GLU H 4.770 . 4.770 4.588 4.159 4.779 0.009 7 0 "[ . 1]" 1
243 1 17 TYR QE 1 19 GLU HA 3.720 . 3.720 2.778 2.431 3.001 . 0 0 "[ . 1]" 1
244 1 17 TYR QE 1 19 GLU HB3 3.770 . 3.770 3.132 2.521 3.807 0.037 8 0 "[ . 1]" 1
245 1 17 TYR QE 1 22 GLY HA2 3.930 . 3.930 3.505 3.147 3.813 . 0 0 "[ . 1]" 1
246 1 17 TYR QE 1 23 TYR H 5.350 . 5.350 4.403 4.117 4.832 . 0 0 "[ . 1]" 1
247 1 17 TYR QE 1 23 TYR HA 4.560 . 4.560 3.755 3.139 4.108 . 0 0 "[ . 1]" 1
248 1 17 TYR QE 1 24 TYR HA 5.500 . 5.500 5.017 4.565 5.362 . 0 0 "[ . 1]" 1
249 1 17 TYR QE 1 24 TYR QD 4.930 . 4.930 4.156 3.827 4.484 . 0 0 "[ . 1]" 1
250 1 17 TYR QE 1 24 TYR QE 4.210 . 4.210 3.776 3.385 4.044 . 0 0 "[ . 1]" 1
251 1 17 TYR QE 1 35 PRO HG2 5.040 . 5.040 3.931 3.536 4.391 . 0 0 "[ . 1]" 1
252 1 18 ASP H 1 18 ASP HB2 3.560 . 3.560 2.749 2.533 3.070 . 0 0 "[ . 1]" 1
253 1 18 ASP H 1 18 ASP QB 2.990 . 2.990 2.365 2.296 2.424 . 0 0 "[ . 1]" 1
254 1 18 ASP H 1 18 ASP HB3 3.560 . 3.560 2.599 2.504 2.648 . 0 0 "[ . 1]" 1
255 1 18 ASP H 1 24 TYR H 5.040 . 5.040 4.744 4.584 4.878 . 0 0 "[ . 1]" 1
256 1 18 ASP H 1 24 TYR HA 3.560 . 3.560 2.950 2.555 3.182 . 0 0 "[ . 1]" 1
257 1 18 ASP H 1 25 TYR H 4.600 . 4.600 3.192 2.523 3.560 . 0 0 "[ . 1]" 1
258 1 18 ASP HA 1 19 GLU H 2.820 . 2.820 2.154 2.109 2.195 . 0 0 "[ . 1]" 1
259 1 18 ASP HA 1 19 GLU HA 5.500 . 5.500 4.362 4.294 4.446 . 0 0 "[ . 1]" 1
260 1 18 ASP HA 1 19 GLU HB3 4.680 . 4.680 4.433 4.165 4.632 . 0 0 "[ . 1]" 1
261 1 18 ASP HA 1 19 GLU QG 4.880 . 4.880 3.819 3.582 4.058 . 0 0 "[ . 1]" 1
262 1 18 ASP HA 1 20 SER H 3.970 . 3.970 3.653 3.382 3.979 0.009 7 0 "[ . 1]" 1
263 1 18 ASP HA 1 22 GLY H 4.980 . 4.980 4.836 4.767 4.865 . 0 0 "[ . 1]" 1
264 1 18 ASP QB 1 19 GLU H 3.940 . 3.940 3.784 3.571 3.959 0.019 2 0 "[ . 1]" 1
265 1 18 ASP QB 1 21 SER H 4.030 . 4.030 3.066 2.834 3.314 . 0 0 "[ . 1]" 1
266 1 18 ASP QB 1 22 GLY H 4.290 . 4.290 3.291 3.173 3.436 . 0 0 "[ . 1]" 1
267 1 18 ASP QB 1 23 TYR H 4.350 . 4.350 2.922 2.648 3.216 . 0 0 "[ . 1]" 1
268 1 18 ASP HB2 1 19 GLU H 4.770 . 4.770 4.326 4.057 4.571 . 0 0 "[ . 1]" 1
269 1 18 ASP HB2 1 21 SER H 4.850 . 4.850 4.446 4.280 4.620 . 0 0 "[ . 1]" 1
270 1 18 ASP HB2 1 22 GLY H 4.930 . 4.930 4.975 4.879 5.037 0.107 5 0 "[ . 1]" 1
271 1 18 ASP HB2 1 32 TYR QE 4.100 . 4.100 3.097 2.312 4.077 . 0 0 "[ . 1]" 1
272 1 18 ASP HB3 1 19 GLU H 4.770 . 4.770 4.182 3.908 4.338 . 0 0 "[ . 1]" 1
273 1 18 ASP HB3 1 21 SER H 4.850 . 4.850 3.126 2.876 3.396 . 0 0 "[ . 1]" 1
274 1 18 ASP HB3 1 22 GLY H 4.930 . 4.930 3.340 3.214 3.497 . 0 0 "[ . 1]" 1
275 1 18 ASP HB3 1 32 TYR QE 4.100 . 4.100 3.048 2.225 3.649 . 0 0 "[ . 1]" 1
276 1 19 GLU H 1 19 GLU HB3 3.020 . 3.020 2.572 2.448 2.699 . 0 0 "[ . 1]" 1
277 1 19 GLU H 1 19 GLU QG 3.460 . 3.460 1.994 1.746 2.139 . 0 0 "[ . 1]" 1
278 1 19 GLU H 1 20 SER QB 4.660 . 4.660 4.131 3.996 4.252 . 0 0 "[ . 1]" 1
279 1 19 GLU H 1 21 SER H 4.950 . 4.950 3.958 3.824 4.029 . 0 0 "[ . 1]" 1
280 1 19 GLU HA 1 19 GLU QG 3.550 . 3.550 3.337 3.325 3.346 . 0 0 "[ . 1]" 1
281 1 19 GLU HB3 1 20 SER H 4.070 . 4.070 4.036 3.846 4.121 0.051 4 0 "[ . 1]" 1
282 1 19 GLU HB3 1 20 SER QB 5.340 . 5.340 5.492 5.430 5.698 0.358 3 0 "[ . 1]" 1
283 1 19 GLU HB3 1 21 SER H 5.500 . 5.500 5.634 5.537 5.730 0.230 7 0 "[ . 1]" 1
284 1 19 GLU HB3 1 22 GLY H 5.500 . 5.500 5.537 5.491 5.596 0.096 8 0 "[ . 1]" 1
285 1 19 GLU QG 1 20 SER H 4.070 . 4.070 2.484 2.286 2.691 . 0 0 "[ . 1]" 1
286 1 19 GLU QG 1 20 SER HA 4.800 . 4.800 3.346 3.134 3.479 . 0 0 "[ . 1]" 1
287 1 20 SER H 1 20 SER QB 3.060 . 3.060 2.243 2.139 2.300 . 0 0 "[ . 1]" 1
288 1 20 SER H 1 21 SER H 3.340 . 3.340 2.337 2.187 2.444 . 0 0 "[ . 1]" 1
289 1 20 SER QB 1 21 SER H 3.820 . 3.820 2.896 2.764 3.109 . 0 0 "[ . 1]" 1
290 1 21 SER H 1 21 SER HB2 3.510 . 3.510 2.759 2.467 2.961 . 0 0 "[ . 1]" 1
291 1 21 SER H 1 21 SER QB 3.040 . 3.040 2.434 2.359 2.558 . 0 0 "[ . 1]" 1
292 1 21 SER H 1 21 SER HB3 3.510 . 3.510 2.915 2.529 3.686 0.176 9 0 "[ . 1]" 1
293 1 21 SER H 1 22 GLY H 2.800 . 2.800 2.071 1.982 2.209 . 0 0 "[ . 1]" 1
294 1 22 GLY HA2 1 23 TYR HA 5.500 . 5.500 4.493 4.437 4.569 . 0 0 "[ . 1]" 1
295 1 22 GLY HA3 1 23 TYR HA 5.430 . 5.430 4.530 4.490 4.588 . 0 0 "[ . 1]" 1
296 1 23 TYR H 1 23 TYR HB2 3.140 . 3.140 2.625 2.427 2.767 . 0 0 "[ . 1]" 1
297 1 23 TYR H 1 23 TYR HB3 3.870 . 3.870 3.763 3.635 3.852 . 0 0 "[ . 1]" 1
298 1 23 TYR H 1 23 TYR QD 4.330 . 4.330 3.237 2.698 3.526 . 0 0 "[ . 1]" 1
299 1 23 TYR H 1 24 TYR H 4.700 . 4.700 4.453 4.399 4.489 . 0 0 "[ . 1]" 1
300 1 23 TYR H 1 32 TYR QE 4.980 . 4.980 4.593 3.894 5.000 0.020 1 0 "[ . 1]" 1
301 1 23 TYR HA 1 23 TYR QD 3.250 . 3.250 2.670 2.432 3.054 . 0 0 "[ . 1]" 1
302 1 23 TYR HA 1 23 TYR QE 4.530 . 4.530 4.563 4.508 4.617 0.087 6 0 "[ . 1]" 1
303 1 23 TYR HA 1 24 TYR H 3.080 . 3.080 2.333 2.270 2.390 . 0 0 "[ . 1]" 1
304 1 23 TYR HA 1 24 TYR QD 4.440 . 4.440 3.819 3.636 3.976 . 0 0 "[ . 1]" 1
305 1 23 TYR HA 1 34 ASP HA 4.270 . 4.270 3.282 3.132 3.413 . 0 0 "[ . 1]" 1
306 1 23 TYR HA 1 34 ASP HB2 5.500 . 5.500 5.269 4.913 5.518 0.018 10 0 "[ . 1]" 1
307 1 23 TYR HA 1 35 PRO HD2 4.430 . 4.430 2.976 2.750 3.146 . 0 0 "[ . 1]" 1
308 1 23 TYR HA 1 35 PRO HD3 4.190 . 4.190 2.730 2.464 3.089 . 0 0 "[ . 1]" 1
309 1 23 TYR HA 1 35 PRO HG2 5.330 . 5.330 4.518 4.341 4.774 . 0 0 "[ . 1]" 1
310 1 23 TYR HA 1 35 PRO HG3 5.500 . 5.500 3.838 3.596 4.209 . 0 0 "[ . 1]" 1
311 1 23 TYR HB2 1 24 TYR H 3.860 . 3.860 3.757 3.566 3.885 0.025 7 0 "[ . 1]" 1
312 1 23 TYR HB2 1 32 TYR QD 2.780 . 2.780 1.994 1.578 2.376 . 0 0 "[ . 1]" 1
313 1 23 TYR HB2 1 32 TYR QE 3.910 . 3.910 3.578 3.198 3.796 . 0 0 "[ . 1]" 1
314 1 23 TYR HB2 1 34 ASP HA 5.500 . 5.500 5.190 5.025 5.474 . 0 0 "[ . 1]" 1
315 1 23 TYR HB3 1 24 TYR H 3.240 . 3.240 2.581 2.400 2.706 . 0 0 "[ . 1]" 1
316 1 23 TYR HB3 1 32 TYR HA 4.950 . 4.950 3.625 3.432 3.846 . 0 0 "[ . 1]" 1
317 1 23 TYR HB3 1 32 TYR QD 3.550 . 3.550 2.520 2.263 2.772 . 0 0 "[ . 1]" 1
318 1 23 TYR HB3 1 32 TYR QE 4.910 . 4.910 4.715 4.459 4.938 0.028 9 0 "[ . 1]" 1
319 1 23 TYR HB3 1 33 TYR H 4.100 . 4.100 3.353 3.187 3.695 . 0 0 "[ . 1]" 1
320 1 23 TYR HB3 1 33 TYR HA 5.500 . 5.500 4.775 4.549 5.011 . 0 0 "[ . 1]" 1
321 1 23 TYR HB3 1 34 ASP HA 5.300 . 5.300 3.827 3.471 4.233 . 0 0 "[ . 1]" 1
322 1 23 TYR HB3 1 34 ASP HB2 5.500 . 5.500 4.963 4.451 5.463 . 0 0 "[ . 1]" 1
323 1 23 TYR HB3 1 41 TYR HB3 5.500 . 5.500 4.769 4.485 5.014 . 0 0 "[ . 1]" 1
324 1 23 TYR QD 1 35 PRO HD2 4.690 . 4.690 3.075 2.440 4.170 . 0 0 "[ . 1]" 1
325 1 23 TYR QD 1 41 TYR QD 4.820 . 4.820 4.358 3.814 4.774 . 0 0 "[ . 1]" 1
326 1 23 TYR QE 1 34 ASP HA 4.220 . 4.220 3.319 2.946 3.572 . 0 0 "[ . 1]" 1
327 1 23 TYR QE 1 34 ASP HB2 3.970 . 3.970 2.357 1.874 2.841 . 0 0 "[ . 1]" 1
328 1 23 TYR QE 1 34 ASP HB3 4.810 . 4.810 3.880 3.516 4.160 . 0 0 "[ . 1]" 1
329 1 23 TYR QE 1 35 PRO HD2 5.320 . 5.320 4.165 3.720 4.653 . 0 0 "[ . 1]" 1
330 1 23 TYR QE 1 35 PRO HD3 5.400 . 5.400 5.318 4.968 5.466 0.066 4 0 "[ . 1]" 1
331 1 23 TYR QE 1 41 TYR HB2 5.270 . 5.270 4.220 2.754 5.086 . 0 0 "[ . 1]" 1
332 1 23 TYR QE 1 41 TYR HB3 5.500 . 5.500 4.643 3.584 5.395 . 0 0 "[ . 1]" 1
333 1 23 TYR QE 1 41 TYR QD 5.180 . 5.180 4.413 3.798 4.995 . 0 0 "[ . 1]" 1
334 1 24 TYR H 1 24 TYR HB2 2.930 . 2.930 2.336 2.312 2.366 . 0 0 "[ . 1]" 1
335 1 24 TYR H 1 24 TYR HB3 4.140 . 4.140 3.591 3.572 3.608 . 0 0 "[ . 1]" 1
336 1 24 TYR H 1 24 TYR QD 3.670 . 3.670 2.589 2.511 2.673 . 0 0 "[ . 1]" 1
337 1 24 TYR H 1 33 TYR HB2 5.410 . 5.410 4.887 4.626 5.175 . 0 0 "[ . 1]" 1
338 1 24 TYR H 1 33 TYR HB3 4.220 . 4.220 3.342 3.097 3.660 . 0 0 "[ . 1]" 1
339 1 24 TYR H 1 33 TYR QD 4.730 . 4.730 3.608 3.377 3.904 . 0 0 "[ . 1]" 1
340 1 24 TYR H 1 35 PRO HD3 4.360 . 4.360 2.789 2.714 2.926 . 0 0 "[ . 1]" 1
341 1 24 TYR H 1 35 PRO HG2 5.500 . 5.500 5.544 5.530 5.573 0.073 4 0 "[ . 1]" 1
342 1 24 TYR HA 1 24 TYR QD 3.960 . 3.960 2.942 2.864 3.036 . 0 0 "[ . 1]" 1
343 1 24 TYR HA 1 24 TYR QE 4.770 . 4.770 4.583 4.554 4.607 . 0 0 "[ . 1]" 1
344 1 24 TYR HA 1 25 TYR H 3.070 . 3.070 2.161 2.136 2.176 . 0 0 "[ . 1]" 1
345 1 24 TYR HA 1 25 TYR HB3 5.500 . 5.500 4.559 4.490 4.608 . 0 0 "[ . 1]" 1
346 1 24 TYR HA 1 33 TYR HB3 5.500 . 5.500 4.622 4.436 4.854 . 0 0 "[ . 1]" 1
347 1 24 TYR HB2 1 33 TYR HA 5.500 . 5.500 4.537 4.363 4.674 . 0 0 "[ . 1]" 1
348 1 24 TYR HB2 1 33 TYR HB2 4.160 . 4.160 3.571 3.239 3.786 . 0 0 "[ . 1]" 1
349 1 24 TYR HB2 1 33 TYR HB3 3.710 . 3.710 1.839 1.557 2.055 . 0 0 "[ . 1]" 1
350 1 24 TYR HB2 1 33 TYR QD 3.650 . 3.650 2.333 2.066 2.610 . 0 0 "[ . 1]" 1
351 1 24 TYR HB3 1 25 TYR H 3.600 . 3.600 3.590 3.532 3.637 0.037 4 0 "[ . 1]" 1
352 1 24 TYR HB3 1 33 TYR HB3 4.140 . 4.140 3.031 2.828 3.212 . 0 0 "[ . 1]" 1
353 1 24 TYR HB3 1 33 TYR QD 3.960 . 3.960 3.703 3.413 3.959 . 0 0 "[ . 1]" 1
354 1 24 TYR QD 1 25 TYR H 4.310 . 4.310 4.239 4.127 4.316 0.006 6 0 "[ . 1]" 1
355 1 24 TYR QD 1 33 TYR QD 3.580 . 3.580 2.231 1.883 2.553 . 0 0 "[ . 1]" 1
356 1 24 TYR QD 1 35 PRO HB3 4.920 . 4.920 3.009 2.696 3.378 . 0 0 "[ . 1]" 1
357 1 24 TYR QD 1 35 PRO HD2 4.180 . 4.180 3.909 3.728 4.147 . 0 0 "[ . 1]" 1
358 1 24 TYR QD 1 35 PRO HD3 3.890 . 3.890 2.172 1.994 2.439 . 0 0 "[ . 1]" 1
359 1 24 TYR QD 1 35 PRO HG2 4.460 . 4.460 4.431 4.321 4.487 0.027 7 0 "[ . 1]" 1
360 1 24 TYR QE 1 33 TYR QD 4.510 . 4.510 3.912 3.562 4.188 . 0 0 "[ . 1]" 1
361 1 24 TYR QE 1 33 TYR QE 4.960 . 4.960 3.993 3.609 4.520 . 0 0 "[ . 1]" 1
362 1 24 TYR QE 1 35 PRO HB2 4.910 . 4.910 3.276 3.037 3.678 . 0 0 "[ . 1]" 1
363 1 24 TYR QE 1 35 PRO HB3 4.260 . 4.260 1.814 1.523 2.308 . 0 0 "[ . 1]" 1
364 1 24 TYR QE 1 35 PRO HD2 4.840 . 4.840 4.705 4.510 4.862 0.022 6 0 "[ . 1]" 1
365 1 24 TYR QE 1 35 PRO HD3 4.160 . 4.160 3.474 3.228 3.686 . 0 0 "[ . 1]" 1
366 1 24 TYR QE 1 35 PRO HG2 4.110 . 4.110 3.940 3.758 4.119 0.009 3 0 "[ . 1]" 1
367 1 25 TYR H 1 25 TYR HB3 3.070 . 3.070 2.418 2.380 2.454 . 0 0 "[ . 1]" 1
368 1 25 TYR H 1 25 TYR QD 4.430 . 4.430 4.197 4.177 4.226 . 0 0 "[ . 1]" 1
369 1 25 TYR H 1 26 ASP H 4.770 . 4.770 4.476 4.422 4.523 . 0 0 "[ . 1]" 1
370 1 25 TYR H 1 32 TYR QE 4.580 . 4.580 4.352 3.884 4.587 0.007 3 0 "[ . 1]" 1
371 1 25 TYR HA 1 25 TYR QD 3.170 . 3.170 2.587 2.483 2.695 . 0 0 "[ . 1]" 1
372 1 25 TYR HA 1 25 TYR QE 4.620 . 4.620 4.612 4.576 4.650 0.030 10 0 "[ . 1]" 1
373 1 25 TYR HA 1 26 ASP H 3.080 . 3.080 2.104 2.083 2.122 . 0 0 "[ . 1]" 1
374 1 25 TYR HA 1 32 TYR HA 3.200 . 3.200 2.631 2.520 2.839 . 0 0 "[ . 1]" 1
375 1 25 TYR HA 1 32 TYR QD 4.080 . 4.080 3.039 2.803 3.605 . 0 0 "[ . 1]" 1
376 1 25 TYR HA 1 32 TYR QE 4.020 . 4.020 3.676 3.467 4.022 0.002 3 0 "[ . 1]" 1
377 1 25 TYR HA 1 33 TYR H 4.120 . 4.120 3.720 3.601 3.870 . 0 0 "[ . 1]" 1
378 1 25 TYR HB3 1 26 ASP H 4.300 . 4.300 4.248 4.151 4.319 0.019 2 0 "[ . 1]" 1
379 1 25 TYR QD 1 26 ASP H 3.950 . 3.950 3.246 2.992 3.498 . 0 0 "[ . 1]" 1
380 1 25 TYR QD 1 27 PRO HA 4.680 . 4.680 4.097 3.697 4.485 . 0 0 "[ . 1]" 1
381 1 25 TYR QD 1 27 PRO HB2 5.450 . 5.450 5.091 4.865 5.271 . 0 0 "[ . 1]" 1
382 1 25 TYR QD 1 27 PRO HB3 4.200 . 4.200 3.546 3.407 3.819 . 0 0 "[ . 1]" 1
383 1 25 TYR QD 1 27 PRO HG3 3.840 . 3.840 3.471 2.699 3.892 0.052 4 0 "[ . 1]" 1
384 1 25 TYR QD 1 30 GLY HA2 5.340 . 5.340 4.829 4.557 5.062 . 0 0 "[ . 1]" 1
385 1 25 TYR QD 1 32 TYR HA 4.080 . 4.080 4.093 3.965 4.138 0.058 2 0 "[ . 1]" 1
386 1 25 TYR QD 1 32 TYR QD 4.190 . 4.190 3.676 3.522 3.889 . 0 0 "[ . 1]" 1
387 1 25 TYR QD 1 32 TYR QE 3.700 . 3.700 3.090 2.934 3.382 . 0 0 "[ . 1]" 1
388 1 25 TYR QE 1 26 ASP H 4.670 . 4.670 4.384 4.166 4.594 . 0 0 "[ . 1]" 1
389 1 25 TYR QE 1 27 PRO HA 3.370 . 3.370 2.726 2.352 3.197 . 0 0 "[ . 1]" 1
390 1 25 TYR QE 1 27 PRO HB2 4.130 . 4.130 4.017 3.858 4.179 0.049 6 0 "[ . 1]" 1
391 1 25 TYR QE 1 27 PRO HB3 3.360 . 3.360 2.378 2.228 2.609 . 0 0 "[ . 1]" 1
392 1 25 TYR QE 1 27 PRO HG3 4.060 . 4.060 3.831 3.321 4.095 0.035 9 0 "[ . 1]" 1
393 1 25 TYR QE 1 30 GLY H 5.340 . 5.340 5.153 4.736 5.351 0.011 3 0 "[ . 1]" 1
394 1 25 TYR QE 1 30 GLY HA2 3.480 . 3.480 3.354 2.932 3.518 0.038 1 0 "[ . 1]" 1
395 1 25 TYR QE 1 31 LEU H 5.160 . 5.160 4.597 4.179 4.782 . 0 0 "[ . 1]" 1
396 1 25 TYR QE 1 31 LEU HA 5.500 . 5.500 5.172 4.896 5.411 . 0 0 "[ . 1]" 1
397 1 25 TYR QE 1 32 TYR QD 5.280 . 5.280 4.929 4.672 5.264 . 0 0 "[ . 1]" 1
398 1 26 ASP H 1 26 ASP HB2 3.780 . 3.780 2.878 2.275 3.071 . 0 0 "[ . 1]" 1
399 1 26 ASP H 1 26 ASP QB 3.070 . 3.070 2.303 2.249 2.453 . 0 0 "[ . 1]" 1
400 1 26 ASP H 1 26 ASP HB3 3.780 . 3.780 2.619 2.328 3.622 . 0 0 "[ . 1]" 1
401 1 26 ASP H 1 27 PRO QD 4.360 . 4.360 3.880 3.763 4.085 . 0 0 "[ . 1]" 1
402 1 26 ASP H 1 32 TYR HA 3.840 . 3.840 2.965 2.652 3.160 . 0 0 "[ . 1]" 1
403 1 26 ASP HA 1 27 PRO QD 2.730 . 2.730 1.843 1.746 1.948 . 0 0 "[ . 1]" 1
404 1 26 ASP HA 1 27 PRO HG3 4.760 . 4.760 4.277 3.925 4.489 . 0 0 "[ . 1]" 1
405 1 26 ASP QB 1 27 PRO QD 4.250 . 4.250 3.627 3.463 3.739 . 0 0 "[ . 1]" 1
406 1 26 ASP QB 1 28 THR H 5.340 . 5.340 3.774 3.120 3.955 . 0 0 "[ . 1]" 1
407 1 26 ASP QB 1 29 THR H 4.260 . 4.260 3.407 2.076 3.790 . 0 0 "[ . 1]" 1
408 1 26 ASP QB 1 30 GLY HA3 5.340 . 5.340 5.143 4.646 5.289 . 0 0 "[ . 1]" 1
409 1 26 ASP QB 1 31 LEU H 3.800 . 3.800 1.932 1.627 2.099 . 0 0 "[ . 1]" 1
410 1 26 ASP QB 1 31 LEU HB2 4.430 . 4.430 2.485 2.259 2.668 . 0 0 "[ . 1]" 1
411 1 26 ASP QB 1 31 LEU HB3 4.660 . 4.660 3.833 3.604 4.084 . 0 0 "[ . 1]" 1
412 1 26 ASP QB 1 31 LEU MD1 4.690 . 4.690 4.013 3.777 4.288 . 0 0 "[ . 1]" 1
413 1 26 ASP QB 1 32 TYR HA 4.740 . 4.740 3.909 3.699 4.201 . 0 0 "[ . 1]" 1
414 1 26 ASP QB 1 33 TYR H 5.340 . 5.340 4.249 3.909 4.796 . 0 0 "[ . 1]" 1
415 1 26 ASP QB 1 40 TYR QE 4.440 . 4.440 3.509 3.043 4.248 . 0 0 "[ . 1]" 1
416 1 26 ASP HB2 1 27 PRO QD 4.930 . 4.930 4.024 3.828 4.411 . 0 0 "[ . 1]" 1
417 1 26 ASP HB2 1 29 THR H 5.100 . 5.100 4.338 3.493 4.616 . 0 0 "[ . 1]" 1
418 1 26 ASP HB2 1 30 GLY H 4.380 . 4.380 4.238 2.907 4.558 0.178 9 0 "[ . 1]" 1
419 1 26 ASP HB2 1 31 LEU MD1 5.430 . 5.430 4.772 4.117 5.193 . 0 0 "[ . 1]" 1
420 1 26 ASP HB2 1 32 TYR HA 5.500 . 5.500 4.513 3.949 4.952 . 0 0 "[ . 1]" 1
421 1 26 ASP HB2 1 40 TYR QE 5.110 . 5.110 3.721 3.113 5.050 . 0 0 "[ . 1]" 1
422 1 26 ASP HB3 1 27 PRO QD 4.930 . 4.930 4.213 3.640 4.397 . 0 0 "[ . 1]" 1
423 1 26 ASP HB3 1 29 THR H 5.100 . 5.100 3.588 2.089 4.049 . 0 0 "[ . 1]" 1
424 1 26 ASP HB3 1 30 GLY H 4.380 . 4.380 3.132 2.835 3.251 . 0 0 "[ . 1]" 1
425 1 26 ASP HB3 1 31 LEU MD1 5.430 . 5.430 4.352 4.080 4.574 . 0 0 "[ . 1]" 1
426 1 26 ASP HB3 1 32 TYR HA 5.500 . 5.500 4.461 3.944 5.563 0.063 6 0 "[ . 1]" 1
427 1 26 ASP HB3 1 40 TYR QE 5.110 . 5.110 4.548 4.091 5.075 . 0 0 "[ . 1]" 1
428 1 27 PRO HB2 1 28 THR H 4.170 . 4.170 3.591 3.301 3.769 . 0 0 "[ . 1]" 1
429 1 27 PRO HB3 1 28 THR H 4.530 . 4.530 4.359 4.285 4.401 . 0 0 "[ . 1]" 1
430 1 27 PRO QD 1 28 THR H 3.400 . 3.400 2.472 1.974 2.837 . 0 0 "[ . 1]" 1
431 1 27 PRO HG3 1 28 THR H 4.340 . 4.340 4.340 4.259 4.445 0.105 7 0 "[ . 1]" 1
432 1 28 THR H 1 28 THR HB 3.830 . 3.830 2.909 2.688 3.525 . 0 0 "[ . 1]" 1
433 1 28 THR H 1 28 THR MG 3.650 . 3.650 3.574 2.616 3.737 0.087 6 0 "[ . 1]" 1
434 1 28 THR H 1 29 THR H 3.320 . 3.320 2.663 2.311 2.832 . 0 0 "[ . 1]" 1
435 1 28 THR HA 1 28 THR MG 3.050 . 3.050 2.225 2.194 2.255 . 0 0 "[ . 1]" 1
436 1 28 THR HB 1 29 THR H 3.780 . 3.780 2.431 1.992 3.264 . 0 0 "[ . 1]" 1
437 1 28 THR MG 1 29 THR H 4.260 . 4.260 3.734 3.370 3.998 . 0 0 "[ . 1]" 1
438 1 29 THR H 1 29 THR MG 3.860 . 3.860 3.839 3.792 3.881 0.021 5 0 "[ . 1]" 1
439 1 29 THR H 1 30 GLY H 2.910 . 2.910 2.085 1.998 2.219 . 0 0 "[ . 1]" 1
440 1 29 THR H 1 30 GLY HA2 4.790 . 4.790 4.346 4.208 4.511 . 0 0 "[ . 1]" 1
441 1 29 THR H 1 31 LEU H 4.000 . 4.000 3.709 3.543 3.898 . 0 0 "[ . 1]" 1
442 1 29 THR HA 1 29 THR MG 2.400 . 2.400 2.252 2.180 2.312 . 0 0 "[ . 1]" 1
443 1 29 THR HA 1 31 LEU H 5.300 . 5.300 5.289 4.817 5.383 0.083 3 0 "[ . 1]" 1
444 1 29 THR HA 1 31 LEU MD1 5.500 . 5.500 5.278 4.602 5.514 0.014 1 0 "[ . 1]" 1
445 1 29 THR HA 1 31 LEU HG 5.490 . 5.490 4.865 4.156 5.155 . 0 0 "[ . 1]" 1
446 1 29 THR HB 1 31 LEU H 3.850 . 3.850 3.420 2.925 3.546 . 0 0 "[ . 1]" 1
447 1 29 THR HB 1 31 LEU HB2 4.540 . 4.540 3.474 2.541 3.891 . 0 0 "[ . 1]" 1
448 1 29 THR HB 1 31 LEU HB3 5.240 . 5.240 4.806 4.104 5.106 . 0 0 "[ . 1]" 1
449 1 29 THR HB 1 31 LEU MD1 3.780 . 3.780 2.928 2.730 3.124 . 0 0 "[ . 1]" 1
450 1 29 THR HB 1 31 LEU MD2 4.760 . 4.760 3.940 3.664 4.127 . 0 0 "[ . 1]" 1
451 1 29 THR HB 1 31 LEU HG 3.360 . 3.360 2.340 2.045 2.571 . 0 0 "[ . 1]" 1
452 1 29 THR MG 1 31 LEU MD1 4.780 . 4.780 2.770 2.135 3.102 . 0 0 "[ . 1]" 1
453 1 29 THR MG 1 58 TYR QD 5.500 . 5.500 3.185 2.751 3.651 . 0 0 "[ . 1]" 1
454 1 29 THR MG 1 58 TYR QE 3.780 . 3.780 2.691 2.191 3.283 . 0 0 "[ . 1]" 1
455 1 30 GLY H 1 31 LEU H 3.280 . 3.280 2.092 1.920 2.454 . 0 0 "[ . 1]" 1
456 1 30 GLY H 1 31 LEU HB2 4.870 . 4.870 4.083 3.891 4.600 . 0 0 "[ . 1]" 1
457 1 31 LEU H 1 31 LEU HB2 3.260 . 3.260 2.612 2.554 2.652 . 0 0 "[ . 1]" 1
458 1 31 LEU H 1 31 LEU HB3 3.860 . 3.860 3.760 3.725 3.785 . 0 0 "[ . 1]" 1
459 1 31 LEU H 1 31 LEU MD1 4.320 . 4.320 4.115 3.992 4.214 . 0 0 "[ . 1]" 1
460 1 31 LEU H 1 31 LEU MD2 3.980 . 3.980 3.725 3.651 3.786 . 0 0 "[ . 1]" 1
461 1 31 LEU H 1 31 LEU HG 3.180 . 3.180 3.030 2.857 3.146 . 0 0 "[ . 1]" 1
462 1 31 LEU H 1 32 TYR H 4.850 . 4.850 4.441 4.355 4.476 . 0 0 "[ . 1]" 1
463 1 31 LEU H 1 32 TYR HA 5.150 . 5.150 4.846 4.731 4.918 . 0 0 "[ . 1]" 1
464 1 31 LEU HA 1 31 LEU MD1 4.680 . 4.680 3.841 3.814 3.863 . 0 0 "[ . 1]" 1
465 1 31 LEU HA 1 31 LEU MD2 3.040 . 3.040 2.005 1.967 2.045 . 0 0 "[ . 1]" 1
466 1 31 LEU HA 1 31 LEU HG 3.950 . 3.950 3.158 3.111 3.238 . 0 0 "[ . 1]" 1
467 1 31 LEU HA 1 32 TYR H 3.060 . 3.060 2.518 2.463 2.659 . 0 0 "[ . 1]" 1
468 1 31 LEU HA 1 32 TYR QD 4.860 . 4.860 3.759 3.463 4.014 . 0 0 "[ . 1]" 1
469 1 31 LEU HA 1 41 TYR H 4.730 . 4.730 4.798 4.759 4.840 0.110 7 0 "[ . 1]" 1
470 1 31 LEU HA 1 42 ASN HA 3.990 . 3.990 3.285 3.041 3.540 . 0 0 "[ . 1]" 1
471 1 31 LEU HB2 1 31 LEU MD1 3.010 . 3.010 2.355 2.327 2.377 . 0 0 "[ . 1]" 1
472 1 31 LEU HB2 1 32 TYR H 3.980 . 3.980 3.355 3.138 3.467 . 0 0 "[ . 1]" 1
473 1 31 LEU HB2 1 32 TYR HA 4.640 . 4.640 4.555 4.449 4.679 0.039 3 0 "[ . 1]" 1
474 1 31 LEU HB2 1 33 TYR H 5.500 . 5.500 5.264 5.080 5.379 . 0 0 "[ . 1]" 1
475 1 31 LEU HB2 1 40 TYR HA 5.500 . 5.500 5.141 4.826 5.532 0.032 7 0 "[ . 1]" 1
476 1 31 LEU HB2 1 40 TYR HB2 5.500 . 5.500 5.248 4.824 5.534 0.034 7 0 "[ . 1]" 1
477 1 31 LEU HB2 1 40 TYR HB3 4.150 . 4.150 3.624 3.224 3.942 . 0 0 "[ . 1]" 1
478 1 31 LEU HB2 1 40 TYR QD 3.510 . 3.510 2.935 2.533 3.507 . 0 0 "[ . 1]" 1
479 1 31 LEU HB2 1 40 TYR QE 4.960 . 4.960 4.379 4.033 4.770 . 0 0 "[ . 1]" 1
480 1 31 LEU HB2 1 41 TYR H 4.900 . 4.900 4.634 4.411 4.816 . 0 0 "[ . 1]" 1
481 1 31 LEU HB2 1 42 ASN HA 5.500 . 5.500 5.221 5.005 5.406 . 0 0 "[ . 1]" 1
482 1 31 LEU HB2 1 49 LEU MD1 5.500 . 5.500 5.245 4.929 5.430 . 0 0 "[ . 1]" 1
483 1 31 LEU HB3 1 31 LEU MD1 3.160 . 3.160 2.348 2.322 2.379 . 0 0 "[ . 1]" 1
484 1 31 LEU HB3 1 31 LEU MD2 3.510 . 3.510 2.410 2.389 2.446 . 0 0 "[ . 1]" 1
485 1 31 LEU HB3 1 32 TYR H 3.540 . 3.540 2.149 1.919 2.237 . 0 0 "[ . 1]" 1
486 1 31 LEU HB3 1 32 TYR HA 4.730 . 4.730 4.375 4.295 4.450 . 0 0 "[ . 1]" 1
487 1 31 LEU HB3 1 33 TYR H 5.500 . 5.500 5.247 5.159 5.326 . 0 0 "[ . 1]" 1
488 1 31 LEU HB3 1 40 TYR HA 5.430 . 5.430 4.214 3.957 4.475 . 0 0 "[ . 1]" 1
489 1 31 LEU HB3 1 40 TYR HB2 4.840 . 4.840 4.453 4.152 4.668 . 0 0 "[ . 1]" 1
490 1 31 LEU HB3 1 40 TYR HB3 3.680 . 3.680 2.737 2.443 2.957 . 0 0 "[ . 1]" 1
491 1 31 LEU HB3 1 40 TYR QD 3.450 . 3.450 3.084 2.854 3.301 . 0 0 "[ . 1]" 1
492 1 31 LEU HB3 1 40 TYR QE 5.180 . 5.180 5.166 5.002 5.248 0.068 7 0 "[ . 1]" 1
493 1 31 LEU HB3 1 41 TYR H 4.370 . 4.370 3.201 3.035 3.287 . 0 0 "[ . 1]" 1
494 1 31 LEU HB3 1 42 ASN HA 5.500 . 5.500 3.833 3.642 4.049 . 0 0 "[ . 1]" 1
495 1 31 LEU HB3 1 49 LEU MD1 5.500 . 5.500 4.335 3.983 4.588 . 0 0 "[ . 1]" 1
496 1 31 LEU MD1 1 32 TYR H 4.790 . 4.790 4.121 3.912 4.228 . 0 0 "[ . 1]" 1
497 1 31 LEU MD1 1 40 TYR H 5.500 . 5.500 5.183 4.883 5.461 . 0 0 "[ . 1]" 1
498 1 31 LEU MD1 1 40 TYR HA 5.500 . 5.500 4.453 4.246 4.703 . 0 0 "[ . 1]" 1
499 1 31 LEU MD1 1 40 TYR HB2 4.260 . 4.260 3.145 2.841 3.435 . 0 0 "[ . 1]" 1
500 1 31 LEU MD1 1 40 TYR HB3 3.690 . 3.690 2.258 2.087 2.525 . 0 0 "[ . 1]" 1
501 1 31 LEU MD1 1 40 TYR QD 3.770 . 3.770 3.150 2.947 3.424 . 0 0 "[ . 1]" 1
502 1 31 LEU MD1 1 40 TYR QE 5.090 . 5.090 4.335 4.161 4.489 . 0 0 "[ . 1]" 1
503 1 31 LEU MD1 1 41 TYR H 5.420 . 5.420 4.219 3.945 4.378 . 0 0 "[ . 1]" 1
504 1 31 LEU MD1 1 42 ASN HA 5.500 . 5.500 3.994 3.598 4.166 . 0 0 "[ . 1]" 1
505 1 31 LEU MD1 1 43 SER H 5.500 . 5.500 5.406 4.950 5.566 0.066 3 0 "[ . 1]" 1
506 1 31 LEU MD1 1 49 LEU MD1 3.140 . 3.140 2.512 2.280 2.761 . 0 0 "[ . 1]" 1
507 1 31 LEU MD1 1 58 TYR HB2 5.130 . 5.130 3.498 3.157 4.168 . 0 0 "[ . 1]" 1
508 1 31 LEU MD1 1 58 TYR HB3 5.290 . 5.290 3.443 3.186 3.904 . 0 0 "[ . 1]" 1
509 1 31 LEU MD1 1 58 TYR QD 4.310 . 4.310 3.191 2.909 3.630 . 0 0 "[ . 1]" 1
510 1 31 LEU MD1 1 58 TYR QE 4.390 . 4.390 3.438 3.107 3.795 . 0 0 "[ . 1]" 1
511 1 31 LEU MD2 1 32 TYR H 3.850 . 3.850 3.385 3.280 3.454 . 0 0 "[ . 1]" 1
512 1 31 LEU MD2 1 32 TYR QD 5.270 . 5.270 4.790 4.584 4.969 . 0 0 "[ . 1]" 1
513 1 31 LEU MD2 1 40 TYR HB2 5.440 . 5.440 4.780 4.421 5.034 . 0 0 "[ . 1]" 1
514 1 31 LEU MD2 1 40 TYR HB3 4.440 . 4.440 3.736 3.463 3.903 . 0 0 "[ . 1]" 1
515 1 31 LEU MD2 1 40 TYR QD 4.970 . 4.970 4.711 4.536 4.834 . 0 0 "[ . 1]" 1
516 1 31 LEU MD2 1 41 TYR H 4.680 . 4.680 4.269 4.122 4.401 . 0 0 "[ . 1]" 1
517 1 31 LEU MD2 1 42 ASN H 3.990 . 3.990 3.612 3.496 3.712 . 0 0 "[ . 1]" 1
518 1 31 LEU MD2 1 42 ASN HA 3.210 . 3.210 1.842 1.492 1.978 . 0 0 "[ . 1]" 1
519 1 31 LEU MD2 1 42 ASN QB 4.070 . 4.070 2.784 2.659 2.926 . 0 0 "[ . 1]" 1
520 1 31 LEU MD2 1 42 ASN HD21 3.750 . 3.750 3.759 3.510 3.817 0.067 4 0 "[ . 1]" 1
521 1 31 LEU MD2 1 42 ASN HD22 4.140 . 4.140 3.564 3.337 3.699 . 0 0 "[ . 1]" 1
522 1 31 LEU MD2 1 43 SER H 4.340 . 4.340 2.938 2.552 3.221 . 0 0 "[ . 1]" 1
523 1 31 LEU MD2 1 43 SER QB 5.270 . 5.270 4.359 3.976 4.844 . 0 0 "[ . 1]" 1
524 1 31 LEU MD2 1 44 LEU H 5.200 . 5.200 4.184 3.929 4.429 . 0 0 "[ . 1]" 1
525 1 31 LEU HG 1 32 TYR H 4.810 . 4.810 4.772 4.661 4.825 0.015 10 0 "[ . 1]" 1
526 1 32 TYR H 1 32 TYR HB2 2.930 . 2.930 2.494 2.380 2.620 . 0 0 "[ . 1]" 1
527 1 32 TYR H 1 32 TYR HB3 3.670 . 3.670 3.664 3.577 3.725 0.055 2 0 "[ . 1]" 1
528 1 32 TYR H 1 32 TYR QD 3.720 . 3.720 3.271 3.171 3.348 . 0 0 "[ . 1]" 1
529 1 32 TYR H 1 33 TYR H 4.800 . 4.800 4.289 4.161 4.362 . 0 0 "[ . 1]" 1
530 1 32 TYR H 1 41 TYR H 3.820 . 3.820 2.586 2.425 2.705 . 0 0 "[ . 1]" 1
531 1 32 TYR H 1 41 TYR HB2 4.760 . 4.760 4.656 4.385 4.766 0.006 3 0 "[ . 1]" 1
532 1 32 TYR H 1 41 TYR HB3 4.330 . 4.330 3.165 2.853 3.327 . 0 0 "[ . 1]" 1
533 1 32 TYR H 1 42 ASN HA 4.630 . 4.630 3.981 3.860 4.104 . 0 0 "[ . 1]" 1
534 1 32 TYR HA 1 32 TYR QD 3.640 . 3.640 2.845 2.653 2.965 . 0 0 "[ . 1]" 1
535 1 32 TYR HA 1 32 TYR QE 4.530 . 4.530 4.527 4.438 4.567 0.037 4 0 "[ . 1]" 1
536 1 32 TYR HA 1 33 TYR H 3.070 . 3.070 2.158 2.140 2.170 . 0 0 "[ . 1]" 1
537 1 32 TYR HA 1 33 TYR HB2 5.500 . 5.500 4.678 4.615 4.726 . 0 0 "[ . 1]" 1
538 1 32 TYR HA 1 33 TYR HB3 5.480 . 5.480 4.520 4.480 4.590 . 0 0 "[ . 1]" 1
539 1 32 TYR HA 1 40 TYR QD 4.740 . 4.740 4.737 4.538 4.797 0.057 10 0 "[ . 1]" 1
540 1 32 TYR HA 1 41 TYR HB3 5.500 . 5.500 4.515 4.335 4.622 . 0 0 "[ . 1]" 1
541 1 32 TYR HB2 1 33 TYR HA 5.500 . 5.500 5.174 5.125 5.263 . 0 0 "[ . 1]" 1
542 1 32 TYR HB2 1 41 TYR H 3.800 . 3.800 3.411 3.189 3.733 . 0 0 "[ . 1]" 1
543 1 32 TYR HB2 1 41 TYR HA 5.500 . 5.500 4.749 4.600 4.917 . 0 0 "[ . 1]" 1
544 1 32 TYR HB2 1 41 TYR HB2 3.950 . 3.950 3.697 3.422 3.849 . 0 0 "[ . 1]" 1
545 1 32 TYR HB2 1 41 TYR QD 3.600 . 3.600 2.228 2.004 2.449 . 0 0 "[ . 1]" 1
546 1 32 TYR HB2 1 41 TYR QE 4.740 . 4.740 4.502 4.296 4.667 . 0 0 "[ . 1]" 1
547 1 32 TYR HB3 1 33 TYR H 3.510 . 3.510 3.413 3.386 3.452 . 0 0 "[ . 1]" 1
548 1 32 TYR HB3 1 33 TYR HA 5.500 . 5.500 4.642 4.589 4.682 . 0 0 "[ . 1]" 1
549 1 32 TYR HB3 1 41 TYR HB2 4.340 . 4.340 4.354 4.267 4.404 0.064 7 0 "[ . 1]" 1
550 1 32 TYR HB3 1 41 TYR QD 4.010 . 4.010 3.423 3.247 3.620 . 0 0 "[ . 1]" 1
551 1 32 TYR HB3 1 41 TYR QE 5.500 . 5.500 5.505 5.332 5.572 0.072 3 0 "[ . 1]" 1
552 1 32 TYR QD 1 33 TYR H 4.130 . 4.130 3.873 3.650 4.013 . 0 0 "[ . 1]" 1
553 1 32 TYR QD 1 41 TYR HB2 5.500 . 5.500 5.340 4.990 5.558 0.058 3 0 "[ . 1]" 1
554 1 32 TYR QD 1 41 TYR HB3 4.400 . 4.400 3.831 3.492 4.082 . 0 0 "[ . 1]" 1
555 1 32 TYR QD 1 41 TYR QD 3.830 . 3.830 2.749 2.044 3.412 . 0 0 "[ . 1]" 1
556 1 32 TYR QD 1 41 TYR QE 4.660 . 4.660 4.006 3.393 4.650 . 0 0 "[ . 1]" 1
557 1 32 TYR QD 1 43 SER H 4.870 . 4.870 3.668 3.246 3.940 . 0 0 "[ . 1]" 1
558 1 32 TYR QD 1 43 SER QB 4.120 . 4.120 2.369 1.985 3.237 . 0 0 "[ . 1]" 1
559 1 32 TYR QE 1 43 SER HB2 4.760 . 4.760 2.919 2.183 3.964 . 0 0 "[ . 1]" 1
560 1 32 TYR QE 1 43 SER QB 3.920 . 3.920 2.435 2.150 3.034 . 0 0 "[ . 1]" 1
561 1 32 TYR QE 1 43 SER HB3 4.760 . 4.760 3.011 2.203 3.893 . 0 0 "[ . 1]" 1
562 1 33 TYR H 1 33 TYR HB2 3.870 . 3.870 2.884 2.859 2.923 . 0 0 "[ . 1]" 1
563 1 33 TYR H 1 33 TYR HB3 3.350 . 3.350 2.404 2.365 2.462 . 0 0 "[ . 1]" 1
564 1 33 TYR H 1 33 TYR QD 4.220 . 4.220 4.163 4.110 4.218 . 0 0 "[ . 1]" 1
565 1 33 TYR H 1 34 ASP H 4.440 . 4.440 4.413 4.364 4.443 0.003 4 0 "[ . 1]" 1
566 1 33 TYR H 1 40 TYR QE 4.910 . 4.910 4.822 4.601 4.925 0.015 5 0 "[ . 1]" 1
567 1 33 TYR HA 1 33 TYR QD 3.150 . 3.150 2.805 2.566 2.944 . 0 0 "[ . 1]" 1
568 1 33 TYR HA 1 34 ASP H 2.990 . 2.990 2.137 2.097 2.157 . 0 0 "[ . 1]" 1
569 1 33 TYR HA 1 34 ASP HB2 4.670 . 4.670 4.594 4.366 4.694 0.024 2 0 "[ . 1]" 1
570 1 33 TYR HA 1 34 ASP HB3 5.160 . 5.160 4.668 4.605 4.735 . 0 0 "[ . 1]" 1
571 1 33 TYR HA 1 39 TYR H 5.170 . 5.170 5.002 4.814 5.188 0.018 6 0 "[ . 1]" 1
572 1 33 TYR HA 1 40 TYR H 5.500 . 5.500 4.855 4.732 4.963 . 0 0 "[ . 1]" 1
573 1 33 TYR HA 1 40 TYR HA 3.170 . 3.170 2.360 2.222 2.454 . 0 0 "[ . 1]" 1
574 1 33 TYR HA 1 40 TYR HB2 5.230 . 5.230 5.146 5.048 5.210 . 0 0 "[ . 1]" 1
575 1 33 TYR HA 1 40 TYR HB3 5.500 . 5.500 4.398 4.203 4.530 . 0 0 "[ . 1]" 1
576 1 33 TYR HA 1 40 TYR QD 3.840 . 3.840 3.291 2.859 3.568 . 0 0 "[ . 1]" 1
577 1 33 TYR HA 1 41 TYR H 4.320 . 4.320 3.497 3.385 3.594 . 0 0 "[ . 1]" 1
578 1 33 TYR HB2 1 34 ASP H 4.400 . 4.400 4.241 4.142 4.283 . 0 0 "[ . 1]" 1
579 1 33 TYR HB2 1 40 TYR HA 4.190 . 4.190 4.118 3.908 4.213 0.023 10 0 "[ . 1]" 1
580 1 33 TYR HB2 1 40 TYR QD 3.720 . 3.720 3.109 2.772 3.440 . 0 0 "[ . 1]" 1
581 1 33 TYR HB2 1 40 TYR QE 3.680 . 3.680 2.626 2.308 2.875 . 0 0 "[ . 1]" 1
582 1 33 TYR HB3 1 40 TYR HA 5.330 . 5.330 5.244 5.077 5.332 0.002 10 0 "[ . 1]" 1
583 1 33 TYR HB3 1 40 TYR QD 4.930 . 4.930 4.629 4.324 4.885 . 0 0 "[ . 1]" 1
584 1 33 TYR HB3 1 40 TYR QE 5.140 . 5.140 4.183 3.870 4.390 . 0 0 "[ . 1]" 1
585 1 33 TYR QD 1 34 ASP H 3.850 . 3.850 3.630 3.224 3.834 . 0 0 "[ . 1]" 1
586 1 33 TYR QD 1 35 PRO HA 4.550 . 4.550 3.576 3.393 3.774 . 0 0 "[ . 1]" 1
587 1 33 TYR QD 1 35 PRO HB2 5.500 . 5.500 5.431 5.257 5.541 0.041 8 0 "[ . 1]" 1
588 1 33 TYR QD 1 35 PRO HB3 4.460 . 4.460 3.928 3.718 4.090 . 0 0 "[ . 1]" 1
589 1 33 TYR QD 1 35 PRO HD3 4.320 . 4.320 3.404 3.221 3.491 . 0 0 "[ . 1]" 1
590 1 33 TYR QD 1 35 PRO HG3 5.030 . 5.030 4.836 4.694 4.969 . 0 0 "[ . 1]" 1
591 1 33 TYR QD 1 38 GLN HA 4.900 . 4.900 4.193 4.015 4.501 . 0 0 "[ . 1]" 1
592 1 33 TYR QD 1 40 TYR HA 4.100 . 4.100 3.708 3.241 4.120 0.020 10 0 "[ . 1]" 1
593 1 33 TYR QD 1 40 TYR QD 4.070 . 4.070 3.494 3.170 3.794 . 0 0 "[ . 1]" 1
594 1 33 TYR QD 1 40 TYR QE 3.720 . 3.720 3.153 2.971 3.350 . 0 0 "[ . 1]" 1
595 1 33 TYR QE 1 35 PRO HA 3.060 . 3.060 2.293 2.090 2.466 . 0 0 "[ . 1]" 1
596 1 33 TYR QE 1 35 PRO HB2 4.770 . 4.770 4.529 4.276 4.654 . 0 0 "[ . 1]" 1
597 1 33 TYR QE 1 35 PRO HB3 3.430 . 3.430 3.315 3.096 3.445 0.015 8 0 "[ . 1]" 1
598 1 33 TYR QE 1 35 PRO HD3 4.470 . 4.470 4.434 4.187 4.509 0.039 10 0 "[ . 1]" 1
599 1 33 TYR QE 1 38 GLN H 5.460 . 5.460 4.635 4.513 4.789 . 0 0 "[ . 1]" 1
600 1 33 TYR QE 1 38 GLN HA 3.750 . 3.750 2.892 2.725 3.013 . 0 0 "[ . 1]" 1
601 1 33 TYR QE 1 38 GLN HB3 5.500 . 5.500 3.360 2.998 3.895 . 0 0 "[ . 1]" 1
602 1 33 TYR QE 1 38 GLN HG2 4.550 . 4.550 3.757 3.507 4.010 . 0 0 "[ . 1]" 1
603 1 33 TYR QE 1 38 GLN HG3 5.490 . 5.490 4.916 4.775 5.123 . 0 0 "[ . 1]" 1
604 1 34 ASP H 1 34 ASP HB2 3.380 . 3.380 2.700 2.564 2.805 . 0 0 "[ . 1]" 1
605 1 34 ASP H 1 34 ASP HB3 3.200 . 3.200 2.546 2.497 2.603 . 0 0 "[ . 1]" 1
606 1 34 ASP H 1 40 TYR HA 3.820 . 3.820 3.225 2.961 3.329 . 0 0 "[ . 1]" 1
607 1 34 ASP H 1 41 TYR H 5.500 . 5.500 4.293 4.188 4.486 . 0 0 "[ . 1]" 1
608 1 34 ASP HA 1 35 PRO HB3 5.500 . 5.500 5.065 5.029 5.098 . 0 0 "[ . 1]" 1
609 1 34 ASP HA 1 35 PRO HD2 3.100 . 3.100 1.946 1.871 2.023 . 0 0 "[ . 1]" 1
610 1 34 ASP HA 1 35 PRO HD3 3.190 . 3.190 2.451 2.340 2.538 . 0 0 "[ . 1]" 1
611 1 34 ASP HA 1 35 PRO HG2 4.220 . 4.220 4.143 4.069 4.220 0.000 10 0 "[ . 1]" 1
612 1 34 ASP HA 1 36 ASN H 4.490 . 4.490 3.578 3.425 3.754 . 0 0 "[ . 1]" 1
613 1 34 ASP HA 1 37 SER H 5.110 . 5.110 4.562 4.277 4.666 . 0 0 "[ . 1]" 1
614 1 34 ASP HB2 1 35 PRO HD2 4.350 . 4.350 4.109 3.971 4.305 . 0 0 "[ . 1]" 1
615 1 34 ASP HB2 1 35 PRO HD3 5.030 . 5.030 4.934 4.806 5.015 . 0 0 "[ . 1]" 1
616 1 34 ASP HB2 1 37 SER H 4.210 . 4.210 4.175 4.053 4.294 0.084 5 0 "[ . 1]" 1
617 1 34 ASP HB2 1 37 SER HB2 5.500 . 5.500 4.192 3.661 5.629 0.129 9 0 "[ . 1]" 1
618 1 34 ASP HB2 1 37 SER HB3 5.500 . 5.500 5.457 5.203 5.592 0.092 3 0 "[ . 1]" 1
619 1 34 ASP HB2 1 38 GLN H 5.420 . 5.420 4.736 4.515 4.899 . 0 0 "[ . 1]" 1
620 1 34 ASP HB2 1 39 TYR H 4.460 . 4.460 4.069 3.630 4.321 . 0 0 "[ . 1]" 1
621 1 34 ASP HB2 1 48 TYR QE 4.520 . 4.520 3.168 2.773 3.349 . 0 0 "[ . 1]" 1
622 1 34 ASP HB3 1 37 SER H 4.370 . 4.370 2.993 2.858 3.109 . 0 0 "[ . 1]" 1
623 1 34 ASP HB3 1 38 GLN H 3.880 . 3.880 3.075 2.823 3.251 . 0 0 "[ . 1]" 1
624 1 34 ASP HB3 1 39 TYR H 3.780 . 3.780 2.478 2.132 2.667 . 0 0 "[ . 1]" 1
625 1 34 ASP HB3 1 39 TYR HA 5.500 . 5.500 5.064 4.759 5.231 . 0 0 "[ . 1]" 1
626 1 34 ASP HB3 1 48 TYR QE 4.700 . 4.700 3.512 3.099 3.965 . 0 0 "[ . 1]" 1
627 1 35 PRO HA 1 38 GLN H 3.950 . 3.950 3.937 3.849 4.007 0.057 6 0 "[ . 1]" 1
628 1 35 PRO HA 1 38 GLN HA 4.060 . 4.060 3.772 3.581 3.900 . 0 0 "[ . 1]" 1
629 1 35 PRO HA 1 38 GLN HG2 5.090 . 5.090 3.909 3.578 4.379 . 0 0 "[ . 1]" 1
630 1 35 PRO HA 1 38 GLN HG3 4.550 . 4.550 4.587 4.561 4.620 0.070 5 0 "[ . 1]" 1
631 1 35 PRO HB2 1 36 ASN H 3.920 . 3.920 3.504 3.395 3.665 . 0 0 "[ . 1]" 1
632 1 35 PRO HB2 1 36 ASN HA 5.410 . 5.410 4.014 3.920 4.129 . 0 0 "[ . 1]" 1
633 1 35 PRO HB2 1 36 ASN HD22 5.000 . 5.000 5.071 5.046 5.117 0.117 2 0 "[ . 1]" 1
634 1 35 PRO HD2 1 36 ASN H 3.850 . 3.850 2.891 2.802 2.976 . 0 0 "[ . 1]" 1
635 1 35 PRO HD3 1 36 ASN H 4.070 . 4.070 3.994 3.922 4.046 . 0 0 "[ . 1]" 1
636 1 35 PRO HG2 1 36 ASN H 3.760 . 3.760 2.933 2.858 3.102 . 0 0 "[ . 1]" 1
637 1 36 ASN H 1 36 ASN HB2 3.130 . 3.130 2.529 2.467 2.563 . 0 0 "[ . 1]" 1
638 1 36 ASN H 1 36 ASN QB 2.640 . 2.640 2.315 2.298 2.327 . 0 0 "[ . 1]" 1
639 1 36 ASN H 1 36 ASN HB3 3.130 . 3.130 2.685 2.636 2.743 . 0 0 "[ . 1]" 1
640 1 36 ASN H 1 37 SER H 3.170 . 3.170 2.447 2.307 2.543 . 0 0 "[ . 1]" 1
641 1 36 ASN HA 1 36 ASN HD22 4.590 . 4.590 2.128 1.688 2.850 . 0 0 "[ . 1]" 1
642 1 36 ASN QB 1 37 SER H 3.070 . 3.070 2.355 2.283 2.509 . 0 0 "[ . 1]" 1
643 1 36 ASN HB2 1 37 SER H 3.630 . 3.630 3.622 3.539 3.689 0.059 5 0 "[ . 1]" 1
644 1 36 ASN HB3 1 37 SER H 3.630 . 3.630 2.387 2.308 2.553 . 0 0 "[ . 1]" 1
645 1 37 SER H 1 37 SER QB 3.130 . 3.130 2.556 2.403 2.738 . 0 0 "[ . 1]" 1
646 1 37 SER H 1 38 GLN H 2.820 . 2.820 2.310 2.199 2.407 . 0 0 "[ . 1]" 1
647 1 37 SER H 1 38 GLN HG3 5.260 . 5.260 4.626 4.467 4.807 . 0 0 "[ . 1]" 1
648 1 37 SER HA 1 39 TYR H 5.030 . 5.030 4.561 4.395 4.768 . 0 0 "[ . 1]" 1
649 1 37 SER HA 1 39 TYR QE 5.500 . 5.500 4.582 4.136 5.474 . 0 0 "[ . 1]" 1
650 1 37 SER QB 1 39 TYR QD 4.130 . 4.130 1.941 1.513 2.683 . 0 0 "[ . 1]" 1
651 1 37 SER QB 1 39 TYR QE 4.290 . 4.290 3.287 2.701 4.094 . 0 0 "[ . 1]" 1
652 1 38 GLN H 1 38 GLN HB2 3.720 . 3.720 3.547 3.504 3.603 . 0 0 "[ . 1]" 1
653 1 38 GLN H 1 38 GLN HG2 4.310 . 4.310 3.580 3.360 3.815 . 0 0 "[ . 1]" 1
654 1 38 GLN H 1 38 GLN HG3 4.150 . 4.150 3.002 2.911 3.107 . 0 0 "[ . 1]" 1
655 1 38 GLN H 1 39 TYR H 3.370 . 3.370 2.578 2.513 2.655 . 0 0 "[ . 1]" 1
656 1 38 GLN HA 1 38 GLN HE22 4.530 . 4.530 4.212 3.963 4.504 . 0 0 "[ . 1]" 1
657 1 38 GLN HA 1 38 GLN HG2 3.860 . 3.860 2.472 2.384 2.563 . 0 0 "[ . 1]" 1
658 1 38 GLN HA 1 38 GLN HG3 3.560 . 3.560 3.022 2.896 3.134 . 0 0 "[ . 1]" 1
659 1 38 GLN HA 1 39 TYR H 3.160 . 3.160 2.890 2.801 2.979 . 0 0 "[ . 1]" 1
660 1 38 GLN HA 1 39 TYR HA 5.500 . 5.500 4.443 4.363 4.509 . 0 0 "[ . 1]" 1
661 1 38 GLN HB2 1 38 GLN HE22 4.250 . 4.250 2.793 1.722 3.992 . 0 0 "[ . 1]" 1
662 1 38 GLN HB2 1 39 TYR H 4.520 . 4.520 4.120 4.038 4.218 . 0 0 "[ . 1]" 1
663 1 38 GLN HB2 1 39 TYR HA 5.500 . 5.500 4.959 4.888 5.132 . 0 0 "[ . 1]" 1
664 1 38 GLN HB3 1 38 GLN HE22 3.810 . 3.810 2.376 1.703 2.887 . 0 0 "[ . 1]" 1
665 1 39 TYR H 1 39 TYR HB2 3.160 . 3.160 2.530 2.436 2.632 . 0 0 "[ . 1]" 1
666 1 39 TYR H 1 40 TYR H 4.520 . 4.520 4.468 4.418 4.521 0.001 6 0 "[ . 1]" 1
667 1 39 TYR HA 1 39 TYR QD 3.410 . 3.410 2.374 2.016 2.602 . 0 0 "[ . 1]" 1
668 1 39 TYR HA 1 39 TYR QE 4.370 . 4.370 4.385 4.248 4.464 0.094 10 0 "[ . 1]" 1
669 1 39 TYR HA 1 40 TYR H 3.360 . 3.360 2.393 2.319 2.480 . 0 0 "[ . 1]" 1
670 1 39 TYR HA 1 40 TYR QD 4.670 . 4.670 3.606 3.330 3.881 . 0 0 "[ . 1]" 1
671 1 39 TYR HA 1 40 TYR QE 5.500 . 5.500 4.782 4.461 5.016 . 0 0 "[ . 1]" 1
672 1 39 TYR HA 1 48 TYR HB3 5.500 . 5.500 5.496 5.420 5.538 0.038 6 0 "[ . 1]" 1
673 1 39 TYR HA 1 48 TYR QD 5.120 . 5.120 4.673 4.540 4.758 . 0 0 "[ . 1]" 1
674 1 39 TYR HA 1 50 TYR HA 4.240 . 4.240 3.617 3.253 4.036 . 0 0 "[ . 1]" 1
675 1 39 TYR HA 1 50 TYR HB2 5.500 . 5.500 4.376 4.023 4.784 . 0 0 "[ . 1]" 1
676 1 39 TYR HA 1 50 TYR QB 4.760 . 4.760 3.635 3.297 4.005 . 0 0 "[ . 1]" 1
677 1 39 TYR HA 1 50 TYR HB3 5.500 . 5.500 3.886 3.501 4.343 . 0 0 "[ . 1]" 1
678 1 39 TYR HA 1 61 ALA MB 5.500 . 5.500 4.746 4.396 5.140 . 0 0 "[ . 1]" 1
679 1 39 TYR HB2 1 40 TYR H 3.720 . 3.720 3.687 3.608 3.746 0.026 6 0 "[ . 1]" 1
680 1 39 TYR HB2 1 40 TYR HA 5.500 . 5.500 5.001 4.950 5.068 . 0 0 "[ . 1]" 1
681 1 39 TYR HB2 1 48 TYR HA 5.500 . 5.500 5.202 5.052 5.318 . 0 0 "[ . 1]" 1
682 1 39 TYR HB2 1 48 TYR HB3 4.480 . 4.480 3.859 3.674 4.028 . 0 0 "[ . 1]" 1
683 1 39 TYR HB2 1 48 TYR QD 3.370 . 3.370 2.229 1.938 2.344 . 0 0 "[ . 1]" 1
684 1 39 TYR HB2 1 48 TYR QE 4.590 . 4.590 3.300 2.965 3.441 . 0 0 "[ . 1]" 1
685 1 39 TYR HB2 1 49 LEU H 4.610 . 4.610 4.654 4.608 4.691 0.081 10 0 "[ . 1]" 1
686 1 39 TYR HB3 1 40 TYR H 4.040 . 4.040 2.399 2.285 2.515 . 0 0 "[ . 1]" 1
687 1 39 TYR HB3 1 48 TYR HB2 4.790 . 4.790 4.746 4.674 4.825 0.035 10 0 "[ . 1]" 1
688 1 39 TYR HB3 1 48 TYR HB3 3.980 . 3.980 3.000 2.926 3.085 . 0 0 "[ . 1]" 1
689 1 39 TYR HB3 1 48 TYR QD 3.250 . 3.250 2.391 2.242 2.450 . 0 0 "[ . 1]" 1
690 1 39 TYR HB3 1 48 TYR QE 4.370 . 4.370 4.338 4.230 4.419 0.049 3 0 "[ . 1]" 1
691 1 39 TYR HB3 1 49 LEU H 4.680 . 4.680 3.136 3.066 3.202 . 0 0 "[ . 1]" 1
692 1 39 TYR HB3 1 49 LEU HA 5.500 . 5.500 4.991 4.896 5.150 . 0 0 "[ . 1]" 1
693 1 39 TYR QD 1 50 TYR HA 4.600 . 4.600 3.264 3.188 3.401 . 0 0 "[ . 1]" 1
694 1 39 TYR QE 1 50 TYR HA 4.830 . 4.830 4.834 4.747 4.897 0.067 8 0 "[ . 1]" 1
695 1 39 TYR QE 1 50 TYR QB 3.450 . 3.450 2.526 2.390 2.766 . 0 0 "[ . 1]" 1
696 1 39 TYR QE 1 61 ALA HA 5.230 . 5.230 4.678 4.199 5.230 0.000 7 0 "[ . 1]" 1
697 1 39 TYR QE 1 61 ALA MB 3.680 . 3.680 2.911 2.617 3.247 . 0 0 "[ . 1]" 1
698 1 40 TYR H 1 40 TYR HB2 3.650 . 3.650 2.416 2.378 2.467 . 0 0 "[ . 1]" 1
699 1 40 TYR H 1 40 TYR QD 3.810 . 3.810 2.702 2.557 2.852 . 0 0 "[ . 1]" 1
700 1 40 TYR H 1 40 TYR QE 5.260 . 5.260 4.747 4.661 4.901 . 0 0 "[ . 1]" 1
701 1 40 TYR H 1 49 LEU HB2 4.650 . 4.650 3.742 3.623 3.848 . 0 0 "[ . 1]" 1
702 1 40 TYR H 1 58 TYR QD 5.500 . 5.500 5.235 5.028 5.513 0.013 9 0 "[ . 1]" 1
703 1 40 TYR H 1 61 ALA MB 5.500 . 5.500 4.605 4.274 4.878 . 0 0 "[ . 1]" 1
704 1 40 TYR HA 1 40 TYR QD 3.210 . 3.210 2.862 2.685 3.005 . 0 0 "[ . 1]" 1
705 1 40 TYR HA 1 40 TYR QE 4.650 . 4.650 4.548 4.499 4.606 . 0 0 "[ . 1]" 1
706 1 40 TYR HA 1 41 TYR H 3.250 . 3.250 2.189 2.145 2.266 . 0 0 "[ . 1]" 1
707 1 40 TYR HA 1 41 TYR HB2 5.220 . 5.220 4.387 4.237 4.507 . 0 0 "[ . 1]" 1
708 1 40 TYR HB2 1 41 TYR HA 5.500 . 5.500 4.976 4.900 5.088 . 0 0 "[ . 1]" 1
709 1 40 TYR HB2 1 49 LEU H 3.360 . 3.360 3.265 3.154 3.388 0.028 6 0 "[ . 1]" 1
710 1 40 TYR HB2 1 49 LEU HB2 3.610 . 3.610 2.234 2.097 2.365 . 0 0 "[ . 1]" 1
711 1 40 TYR HB2 1 49 LEU HB3 3.950 . 3.950 3.596 3.445 3.713 . 0 0 "[ . 1]" 1
712 1 40 TYR HB2 1 49 LEU MD1 4.240 . 4.240 3.602 3.466 3.730 . 0 0 "[ . 1]" 1
713 1 40 TYR HB2 1 49 LEU HG 5.020 . 5.020 4.601 4.526 4.707 . 0 0 "[ . 1]" 1
714 1 40 TYR HB2 1 50 TYR H 5.230 . 5.230 4.509 4.333 4.684 . 0 0 "[ . 1]" 1
715 1 40 TYR HB2 1 50 TYR HA 5.500 . 5.500 3.674 3.575 3.838 . 0 0 "[ . 1]" 1
716 1 40 TYR HB3 1 41 TYR H 3.510 . 3.510 2.895 2.618 3.042 . 0 0 "[ . 1]" 1
717 1 40 TYR HB3 1 41 TYR HA 5.500 . 5.500 4.564 4.468 4.621 . 0 0 "[ . 1]" 1
718 1 40 TYR HB3 1 49 LEU HB2 3.790 . 3.790 3.298 3.084 3.530 . 0 0 "[ . 1]" 1
719 1 40 TYR HB3 1 49 LEU HB3 5.050 . 5.050 4.852 4.622 5.063 0.013 3 0 "[ . 1]" 1
720 1 40 TYR HB3 1 49 LEU MD1 4.490 . 4.490 3.653 3.352 3.962 . 0 0 "[ . 1]" 1
721 1 40 TYR HB3 1 49 LEU HG 5.500 . 5.500 5.264 5.075 5.496 . 0 0 "[ . 1]" 1
722 1 40 TYR QD 1 41 TYR H 4.230 . 4.230 3.686 3.517 3.827 . 0 0 "[ . 1]" 1
723 1 40 TYR QD 1 49 LEU HB2 3.990 . 3.990 3.972 3.878 4.026 0.036 9 0 "[ . 1]" 1
724 1 40 TYR QD 1 49 LEU HB3 5.120 . 5.120 4.607 4.403 4.710 . 0 0 "[ . 1]" 1
725 1 40 TYR QD 1 50 TYR HA 3.260 . 3.260 2.219 2.037 2.537 . 0 0 "[ . 1]" 1
726 1 40 TYR QD 1 58 TYR QD 3.480 . 3.480 3.088 2.803 3.487 0.007 9 0 "[ . 1]" 1
727 1 40 TYR QE 1 50 TYR HA 4.160 . 4.160 3.691 3.423 4.061 . 0 0 "[ . 1]" 1
728 1 40 TYR QE 1 51 TRP H 4.180 . 4.180 2.851 2.543 3.063 . 0 0 "[ . 1]" 1
729 1 40 TYR QE 1 51 TRP HB2 3.280 . 3.280 3.067 2.772 3.296 0.016 7 0 "[ . 1]" 1
730 1 40 TYR QE 1 51 TRP HB3 4.110 . 4.110 3.146 2.854 3.336 . 0 0 "[ . 1]" 1
731 1 40 TYR QE 1 58 TYR QD 4.650 . 4.650 3.830 3.613 3.944 . 0 0 "[ . 1]" 1
732 1 40 TYR QE 1 58 TYR QE 3.810 . 3.810 3.245 3.072 3.518 . 0 0 "[ . 1]" 1
733 1 41 TYR H 1 41 TYR HB2 3.710 . 3.710 3.042 2.967 3.121 . 0 0 "[ . 1]" 1
734 1 41 TYR H 1 41 TYR HB3 3.730 . 3.730 2.499 2.434 2.560 . 0 0 "[ . 1]" 1
735 1 41 TYR H 1 41 TYR QD 4.600 . 4.600 4.239 4.199 4.265 . 0 0 "[ . 1]" 1
736 1 41 TYR H 1 42 ASN H 4.190 . 4.190 4.220 4.154 4.243 0.053 10 0 "[ . 1]" 1
737 1 41 TYR HA 1 41 TYR QD 3.120 . 3.120 2.483 2.373 2.686 . 0 0 "[ . 1]" 1
738 1 41 TYR HA 1 41 TYR QE 4.710 . 4.710 4.578 4.538 4.642 . 0 0 "[ . 1]" 1
739 1 41 TYR HA 1 42 ASN H 2.920 . 2.920 2.117 2.095 2.138 . 0 0 "[ . 1]" 1
740 1 41 TYR HA 1 42 ASN QB 4.430 . 4.430 4.082 4.061 4.116 . 0 0 "[ . 1]" 1
741 1 41 TYR HA 1 48 TYR HA 3.350 . 3.350 2.581 2.501 2.698 . 0 0 "[ . 1]" 1
742 1 41 TYR HA 1 48 TYR HB2 5.490 . 5.490 5.302 5.176 5.407 . 0 0 "[ . 1]" 1
743 1 41 TYR HA 1 48 TYR HB3 5.210 . 5.210 4.857 4.749 4.981 . 0 0 "[ . 1]" 1
744 1 41 TYR HA 1 48 TYR QD 4.340 . 4.340 4.023 3.924 4.210 . 0 0 "[ . 1]" 1
745 1 41 TYR HA 1 49 LEU H 4.550 . 4.550 3.719 3.637 3.786 . 0 0 "[ . 1]" 1
746 1 41 TYR HA 1 49 LEU MD1 4.700 . 4.700 4.445 4.009 4.734 0.034 6 0 "[ . 1]" 1
747 1 41 TYR HA 1 49 LEU HG 5.290 . 5.290 4.719 4.419 4.986 . 0 0 "[ . 1]" 1
748 1 41 TYR HB2 1 42 ASN H 4.380 . 4.380 4.302 4.266 4.340 . 0 0 "[ . 1]" 1
749 1 41 TYR HB2 1 48 TYR HA 5.500 . 5.500 4.340 4.264 4.442 . 0 0 "[ . 1]" 1
750 1 41 TYR HB2 1 48 TYR QD 4.370 . 4.370 4.173 4.015 4.345 . 0 0 "[ . 1]" 1
751 1 41 TYR HB2 1 48 TYR QE 4.110 . 4.110 3.563 3.320 3.856 . 0 0 "[ . 1]" 1
752 1 41 TYR HB3 1 42 ASN H 4.380 . 4.380 4.343 4.289 4.399 0.019 2 0 "[ . 1]" 1
753 1 41 TYR QD 1 42 ASN H 3.980 . 3.980 3.363 3.185 3.638 . 0 0 "[ . 1]" 1
754 1 41 TYR QD 1 43 SER H 4.970 . 4.970 4.552 4.290 4.977 0.007 8 0 "[ . 1]" 1
755 1 41 TYR QD 1 43 SER HA 4.660 . 4.660 3.655 3.188 3.951 . 0 0 "[ . 1]" 1
756 1 41 TYR QD 1 43 SER QB 4.330 . 4.330 3.826 3.331 4.387 0.057 6 0 "[ . 1]" 1
757 1 41 TYR QD 1 46 GLN HA 4.250 . 4.250 4.001 3.945 4.086 . 0 0 "[ . 1]" 1
758 1 41 TYR QD 1 48 TYR HA 3.690 . 3.690 3.580 3.472 3.651 . 0 0 "[ . 1]" 1
759 1 41 TYR QD 1 48 TYR QD 3.910 . 3.910 3.256 2.816 3.493 . 0 0 "[ . 1]" 1
760 1 41 TYR QD 1 48 TYR QE 3.730 . 3.730 3.054 2.907 3.303 . 0 0 "[ . 1]" 1
761 1 41 TYR QE 1 42 ASN H 4.740 . 4.740 4.657 4.479 4.762 0.022 4 0 "[ . 1]" 1
762 1 41 TYR QE 1 43 SER H 5.500 . 5.500 5.047 4.700 5.505 0.005 8 0 "[ . 1]" 1
763 1 41 TYR QE 1 43 SER HA 3.670 . 3.670 2.879 2.629 3.323 . 0 0 "[ . 1]" 1
764 1 41 TYR QE 1 43 SER QB 4.240 . 4.240 3.779 3.015 4.243 0.003 5 0 "[ . 1]" 1
765 1 41 TYR QE 1 46 GLN H 4.860 . 4.860 4.574 4.344 4.886 0.026 8 0 "[ . 1]" 1
766 1 41 TYR QE 1 46 GLN HA 3.120 . 3.120 2.626 2.335 2.951 . 0 0 "[ . 1]" 1
767 1 41 TYR QE 1 46 GLN HB2 4.460 . 4.460 4.452 4.300 4.489 0.029 2 0 "[ . 1]" 1
768 1 41 TYR QE 1 46 GLN HB3 3.790 . 3.790 3.106 2.929 3.214 . 0 0 "[ . 1]" 1
769 1 41 TYR QE 1 46 GLN HG2 4.490 . 4.490 3.822 3.564 4.016 . 0 0 "[ . 1]" 1
770 1 41 TYR QE 1 46 GLN HG3 5.240 . 5.240 4.919 4.821 5.045 . 0 0 "[ . 1]" 1
771 1 41 TYR QE 1 47 GLN HA 4.350 . 4.350 4.245 3.990 4.396 0.046 6 0 "[ . 1]" 1
772 1 41 TYR QE 1 48 TYR HA 5.500 . 5.500 5.519 5.444 5.560 0.060 5 0 "[ . 1]" 1
773 1 41 TYR QE 1 48 TYR QD 4.180 . 4.180 4.082 3.902 4.201 0.021 4 0 "[ . 1]" 1
774 1 41 TYR QE 1 48 TYR QE 3.780 . 3.780 3.338 2.936 3.683 . 0 0 "[ . 1]" 1
775 1 42 ASN H 1 42 ASN HB2 3.760 . 3.760 2.548 2.488 2.603 . 0 0 "[ . 1]" 1
776 1 42 ASN H 1 42 ASN QB 3.120 . 3.120 2.283 2.265 2.307 . 0 0 "[ . 1]" 1
777 1 42 ASN H 1 42 ASN HB3 3.760 . 3.760 2.580 2.534 2.646 . 0 0 "[ . 1]" 1
778 1 42 ASN H 1 43 SER H 4.820 . 4.820 4.393 4.304 4.472 . 0 0 "[ . 1]" 1
779 1 42 ASN H 1 46 GLN HA 5.040 . 5.040 4.479 4.107 4.824 . 0 0 "[ . 1]" 1
780 1 42 ASN H 1 47 GLN H 3.890 . 3.890 3.024 2.744 3.246 . 0 0 "[ . 1]" 1
781 1 42 ASN H 1 47 GLN HB3 5.480 . 5.480 5.178 3.636 5.501 0.021 5 0 "[ . 1]" 1
782 1 42 ASN H 1 48 TYR HA 4.100 . 4.100 3.382 3.270 3.540 . 0 0 "[ . 1]" 1
783 1 42 ASN H 1 49 LEU H 5.500 . 5.500 4.525 4.428 4.648 . 0 0 "[ . 1]" 1
784 1 42 ASN H 1 49 LEU MD1 4.090 . 4.090 3.494 3.107 3.834 . 0 0 "[ . 1]" 1
785 1 42 ASN H 1 49 LEU HG 4.990 . 4.990 3.988 3.682 4.340 . 0 0 "[ . 1]" 1
786 1 42 ASN HA 1 43 SER H 3.100 . 3.100 2.160 2.129 2.193 . 0 0 "[ . 1]" 1
787 1 42 ASN HA 1 44 LEU H 4.160 . 4.160 3.603 3.486 3.771 . 0 0 "[ . 1]" 1
788 1 42 ASN HA 1 46 GLN H 5.050 . 5.050 4.812 4.689 4.964 . 0 0 "[ . 1]" 1
789 1 42 ASN HA 1 49 LEU MD1 4.760 . 4.760 3.749 3.239 4.119 . 0 0 "[ . 1]" 1
790 1 42 ASN QB 1 44 LEU H 4.760 . 4.760 3.850 3.666 4.050 . 0 0 "[ . 1]" 1
791 1 42 ASN QB 1 46 GLN H 4.210 . 4.210 3.052 2.784 3.273 . 0 0 "[ . 1]" 1
792 1 42 ASN QB 1 47 GLN H 3.790 . 3.790 2.130 1.911 2.443 . 0 0 "[ . 1]" 1
793 1 42 ASN QB 1 47 GLN HB2 4.720 . 4.720 4.331 3.546 4.516 . 0 0 "[ . 1]" 1
794 1 42 ASN QB 1 47 GLN HB3 4.190 . 4.190 3.797 2.066 4.141 . 0 0 "[ . 1]" 1
795 1 42 ASN QB 1 48 TYR HA 5.340 . 5.340 4.615 4.475 4.804 . 0 0 "[ . 1]" 1
796 1 42 ASN QB 1 49 LEU MD1 3.600 . 3.600 2.259 1.765 2.603 . 0 0 "[ . 1]" 1
797 1 42 ASN QB 1 49 LEU HG 5.340 . 5.340 3.473 3.120 3.751 . 0 0 "[ . 1]" 1
798 1 42 ASN HB2 1 43 SER H 4.600 . 4.600 4.447 4.373 4.528 . 0 0 "[ . 1]" 1
799 1 42 ASN HB2 1 45 THR H 4.370 . 4.370 4.340 4.205 4.396 0.026 2 0 "[ . 1]" 1
800 1 42 ASN HB2 1 45 THR HB 5.500 . 5.500 4.211 3.789 5.583 0.083 9 0 "[ . 1]" 1
801 1 42 ASN HB2 1 49 LEU MD1 4.220 . 4.220 2.283 1.774 2.636 . 0 0 "[ . 1]" 1
802 1 42 ASN HB3 1 43 SER H 4.600 . 4.600 4.284 4.220 4.359 . 0 0 "[ . 1]" 1
803 1 42 ASN HB3 1 45 THR H 4.370 . 4.370 3.106 2.923 3.256 . 0 0 "[ . 1]" 1
804 1 42 ASN HB3 1 45 THR HB 5.500 . 5.500 3.014 2.608 4.320 . 0 0 "[ . 1]" 1
805 1 42 ASN HB3 1 49 LEU MD1 4.220 . 4.220 3.624 3.162 4.037 . 0 0 "[ . 1]" 1
806 1 42 ASN HD21 1 49 LEU MD1 4.050 . 4.050 3.945 3.433 4.115 0.065 9 0 "[ . 1]" 1
807 1 42 ASN HD22 1 47 GLN HB3 5.500 . 5.500 5.288 3.492 5.539 0.039 2 0 "[ . 1]" 1
808 1 43 SER H 1 43 SER HB2 3.980 . 3.980 2.744 2.239 3.550 . 0 0 "[ . 1]" 1
809 1 43 SER H 1 43 SER QB 3.160 . 3.160 2.444 2.173 2.799 . 0 0 "[ . 1]" 1
810 1 43 SER H 1 43 SER HB3 3.980 . 3.980 2.874 2.505 3.521 . 0 0 "[ . 1]" 1
811 1 43 SER H 1 44 LEU H 3.480 . 3.480 2.537 2.493 2.624 . 0 0 "[ . 1]" 1
812 1 43 SER H 1 44 LEU HB2 4.890 . 4.890 4.788 4.702 4.919 0.029 4 0 "[ . 1]" 1
813 1 43 SER H 1 44 LEU HB3 5.500 . 5.500 4.741 4.621 4.872 . 0 0 "[ . 1]" 1
814 1 43 SER HA 1 46 GLN HG2 4.930 . 4.930 4.025 3.588 4.435 . 0 0 "[ . 1]" 1
815 1 43 SER HA 1 46 GLN HG3 4.960 . 4.960 4.707 4.482 4.986 0.026 4 0 "[ . 1]" 1
816 1 44 LEU H 1 44 LEU HB2 3.110 . 3.110 2.701 2.601 2.819 . 0 0 "[ . 1]" 1
817 1 44 LEU H 1 44 LEU HB3 3.110 . 3.110 2.441 2.397 2.475 . 0 0 "[ . 1]" 1
818 1 44 LEU H 1 44 LEU MD2 4.450 . 4.450 4.281 4.239 4.308 . 0 0 "[ . 1]" 1
819 1 44 LEU H 1 44 LEU HG 4.410 . 4.410 4.420 4.371 4.442 0.032 3 0 "[ . 1]" 1
820 1 44 LEU H 1 45 THR H 3.040 . 3.040 2.416 2.299 2.558 . 0 0 "[ . 1]" 1
821 1 44 LEU HA 1 44 LEU MD1 3.460 . 3.460 2.093 2.029 2.156 . 0 0 "[ . 1]" 1
822 1 44 LEU HA 1 44 LEU MD2 3.960 . 3.960 3.889 3.871 3.907 . 0 0 "[ . 1]" 1
823 1 44 LEU HA 1 44 LEU HG 3.810 . 3.810 3.132 3.055 3.215 . 0 0 "[ . 1]" 1
824 1 44 LEU HB2 1 45 THR H 4.100 . 4.100 3.820 3.747 3.885 . 0 0 "[ . 1]" 1
825 1 44 LEU HB2 1 46 GLN H 5.500 . 5.500 5.433 5.361 5.477 . 0 0 "[ . 1]" 1
826 1 44 LEU HB3 1 45 THR H 3.790 . 3.790 2.481 2.309 2.609 . 0 0 "[ . 1]" 1
827 1 44 LEU HB3 1 45 THR HA 5.410 . 5.410 4.392 4.289 4.459 . 0 0 "[ . 1]" 1
828 1 44 LEU HB3 1 46 GLN H 4.750 . 4.750 4.493 4.332 4.573 . 0 0 "[ . 1]" 1
829 1 44 LEU MD2 1 45 THR H 4.290 . 4.290 4.141 3.889 4.297 0.007 10 0 "[ . 1]" 1
830 1 44 LEU HG 1 45 THR H 3.860 . 3.860 3.659 3.297 3.820 . 0 0 "[ . 1]" 1
831 1 44 LEU HG 1 45 THR HA 5.500 . 5.500 3.672 3.419 3.843 . 0 0 "[ . 1]" 1
832 1 45 THR H 1 45 THR HB 4.020 . 4.020 2.805 2.613 3.636 . 0 0 "[ . 1]" 1
833 1 45 THR H 1 45 THR MG 4.040 . 4.040 3.706 2.678 3.843 . 0 0 "[ . 1]" 1
834 1 45 THR H 1 46 GLN H 2.780 . 2.780 2.190 2.107 2.262 . 0 0 "[ . 1]" 1
835 1 45 THR H 1 46 GLN HA 4.420 . 4.420 4.401 4.314 4.470 0.050 4 0 "[ . 1]" 1
836 1 45 THR H 1 46 GLN HG3 4.260 . 4.260 4.331 4.305 4.371 0.111 6 0 "[ . 1]" 1
837 1 45 THR HA 1 45 THR MG 2.920 . 2.920 2.280 2.237 2.324 . 0 0 "[ . 1]" 1
838 1 45 THR HA 1 46 GLN HB2 5.500 . 5.500 4.376 4.306 4.431 . 0 0 "[ . 1]" 1
839 1 45 THR HA 1 46 GLN HG2 5.470 . 5.470 5.462 5.395 5.507 0.037 9 0 "[ . 1]" 1
840 1 45 THR HA 1 47 GLN HB3 5.500 . 5.500 5.379 5.186 5.549 0.049 2 0 "[ . 1]" 1
841 1 45 THR HB 1 46 GLN H 4.290 . 4.290 3.379 3.226 4.029 . 0 0 "[ . 1]" 1
842 1 45 THR HB 1 47 GLN H 4.530 . 4.530 3.381 2.969 3.885 . 0 0 "[ . 1]" 1
843 1 45 THR HB 1 47 GLN HB2 5.050 . 5.050 4.532 2.675 5.002 . 0 0 "[ . 1]" 1
844 1 45 THR HB 1 47 GLN HB3 4.400 . 4.400 3.288 2.419 3.552 . 0 0 "[ . 1]" 1
845 1 45 THR HB 1 47 GLN QG 4.180 . 4.180 2.618 2.063 4.246 0.066 6 0 "[ . 1]" 1
846 1 45 THR MG 1 46 GLN H 4.270 . 4.270 4.133 4.035 4.216 . 0 0 "[ . 1]" 1
847 1 45 THR MG 1 47 GLN QE 5.340 . 5.340 3.849 3.121 4.848 . 0 0 "[ . 1]" 1
848 1 46 GLN H 1 46 GLN HA 2.890 . 2.890 2.253 2.236 2.261 . 0 0 "[ . 1]" 1
849 1 46 GLN H 1 46 GLN HG2 3.900 . 3.900 3.472 3.332 3.560 . 0 0 "[ . 1]" 1
850 1 46 GLN H 1 46 GLN HG3 3.190 . 3.190 2.794 2.705 2.841 . 0 0 "[ . 1]" 1
851 1 46 GLN H 1 47 GLN H 3.510 . 3.510 2.720 2.582 2.905 . 0 0 "[ . 1]" 1
852 1 46 GLN H 1 47 GLN HB3 5.040 . 5.040 4.833 4.256 5.009 . 0 0 "[ . 1]" 1
853 1 46 GLN HA 1 46 GLN HG2 3.120 . 3.120 2.581 2.460 2.645 . 0 0 "[ . 1]" 1
854 1 46 GLN HA 1 46 GLN HG3 3.080 . 3.080 3.045 2.990 3.082 0.002 5 0 "[ . 1]" 1
855 1 46 GLN HG2 1 47 GLN H 5.500 . 5.500 5.107 4.974 5.248 . 0 0 "[ . 1]" 1
856 1 47 GLN H 1 47 GLN HB2 3.960 . 3.960 3.723 3.003 3.937 . 0 0 "[ . 1]" 1
857 1 47 GLN H 1 47 GLN HB3 3.540 . 3.540 2.961 2.289 3.268 . 0 0 "[ . 1]" 1
858 1 47 GLN H 1 47 GLN QG 3.560 . 3.560 2.405 2.112 3.840 0.280 6 0 "[ . 1]" 1
859 1 47 GLN HA 1 47 GLN QG 3.550 . 3.550 3.266 2.628 3.344 . 0 0 "[ . 1]" 1
860 1 47 GLN HA 1 48 TYR H 2.940 . 2.940 2.450 2.374 2.509 . 0 0 "[ . 1]" 1
861 1 47 GLN HA 1 48 TYR QD 3.790 . 3.790 3.236 3.168 3.314 . 0 0 "[ . 1]" 1
862 1 47 GLN HB2 1 47 GLN HE21 4.440 . 4.440 3.702 3.420 3.888 . 0 0 "[ . 1]" 1
863 1 47 GLN HB2 1 47 GLN HE22 4.440 . 4.440 2.397 1.766 2.819 . 0 0 "[ . 1]" 1
864 1 47 GLN HB2 1 48 TYR H 3.670 . 3.670 2.544 2.248 3.752 0.082 6 0 "[ . 1]" 1
865 1 47 GLN HB2 1 49 LEU MD1 5.060 . 5.060 5.008 4.636 5.517 0.457 6 0 "[ . 1]" 1
866 1 47 GLN HB2 1 49 LEU MD2 5.150 . 5.150 4.299 3.922 5.332 0.182 6 0 "[ . 1]" 1
867 1 47 GLN HB3 1 48 TYR H 4.150 . 4.150 3.797 3.706 3.902 . 0 0 "[ . 1]" 1
868 1 47 GLN HB3 1 48 TYR QD 5.500 . 5.500 5.568 5.507 5.620 0.120 3 0 "[ . 1]" 1
869 1 47 GLN HB3 1 49 LEU MD1 5.500 . 5.500 5.258 4.230 5.515 0.015 9 0 "[ . 1]" 1
870 1 47 GLN QE 1 49 LEU MD2 5.240 . 5.240 2.597 1.761 3.835 . 0 0 "[ . 1]" 1
871 1 47 GLN QE 1 60 PRO HB2 4.670 . 4.670 4.288 3.869 4.686 0.016 2 0 "[ . 1]" 1
872 1 47 GLN QE 1 60 PRO HB3 4.560 . 4.560 2.896 2.392 3.644 . 0 0 "[ . 1]" 1
873 1 47 GLN QE 1 60 PRO QG 4.870 . 4.870 2.982 2.102 4.563 . 0 0 "[ . 1]" 1
874 1 47 GLN QG 1 48 TYR H 3.820 . 3.820 3.172 1.989 3.543 . 0 0 "[ . 1]" 1
875 1 47 GLN QG 1 49 LEU MD1 5.180 . 5.180 2.906 2.664 3.725 . 0 0 "[ . 1]" 1
876 1 47 GLN QG 1 49 LEU MD2 4.460 . 4.460 2.948 2.587 3.264 . 0 0 "[ . 1]" 1
877 1 47 GLN QG 1 49 LEU HG 5.340 . 5.340 2.481 2.264 2.733 . 0 0 "[ . 1]" 1
878 1 48 TYR H 1 48 TYR HB2 3.070 . 3.070 2.417 2.348 2.527 . 0 0 "[ . 1]" 1
879 1 48 TYR H 1 48 TYR HB3 3.680 . 3.680 3.618 3.565 3.678 . 0 0 "[ . 1]" 1
880 1 48 TYR H 1 48 TYR QD 3.560 . 3.560 2.904 2.704 3.073 . 0 0 "[ . 1]" 1
881 1 48 TYR H 1 48 TYR QE 5.340 . 5.340 5.152 4.994 5.283 . 0 0 "[ . 1]" 1
882 1 48 TYR H 1 49 LEU H 5.030 . 5.030 4.463 4.410 4.517 . 0 0 "[ . 1]" 1
883 1 48 TYR H 1 49 LEU MD1 5.240 . 5.240 5.315 5.284 5.335 0.095 7 0 "[ . 1]" 1
884 1 48 TYR H 1 49 LEU MD2 5.180 . 5.180 4.624 4.486 4.815 . 0 0 "[ . 1]" 1
885 1 48 TYR H 1 49 LEU HG 5.100 . 5.100 4.174 4.114 4.248 . 0 0 "[ . 1]" 1
886 1 48 TYR H 1 61 ALA MB 5.480 . 5.480 4.775 4.211 5.254 . 0 0 "[ . 1]" 1
887 1 48 TYR HA 1 48 TYR QD 3.660 . 3.660 3.030 2.901 3.053 . 0 0 "[ . 1]" 1
888 1 48 TYR HA 1 48 TYR QE 4.740 . 4.740 4.521 4.476 4.539 . 0 0 "[ . 1]" 1
889 1 48 TYR HA 1 49 LEU H 3.210 . 3.210 2.176 2.150 2.212 . 0 0 "[ . 1]" 1
890 1 48 TYR HA 1 49 LEU MD1 4.650 . 4.650 4.376 4.271 4.503 . 0 0 "[ . 1]" 1
891 1 48 TYR HA 1 49 LEU HG 5.150 . 5.150 3.473 3.378 3.615 . 0 0 "[ . 1]" 1
892 1 48 TYR HA 1 61 ALA MB 5.500 . 5.500 4.601 4.218 5.010 . 0 0 "[ . 1]" 1
893 1 48 TYR HB2 1 49 LEU H 4.090 . 4.090 4.113 4.071 4.160 0.070 7 0 "[ . 1]" 1
894 1 48 TYR HB3 1 49 LEU H 3.900 . 3.900 2.917 2.844 2.983 . 0 0 "[ . 1]" 1
895 1 48 TYR QD 1 49 LEU H 4.530 . 4.530 3.673 3.550 3.942 . 0 0 "[ . 1]" 1
896 1 48 TYR QE 1 49 LEU H 5.500 . 5.500 5.549 5.478 5.601 0.101 7 0 "[ . 1]" 1
897 1 49 LEU H 1 49 LEU HB2 3.590 . 3.590 2.734 2.718 2.753 . 0 0 "[ . 1]" 1
898 1 49 LEU H 1 49 LEU MD1 4.080 . 4.080 3.870 3.768 3.987 . 0 0 "[ . 1]" 1
899 1 49 LEU H 1 49 LEU HG 4.280 . 4.280 3.095 3.028 3.165 . 0 0 "[ . 1]" 1
900 1 49 LEU H 1 61 ALA H 5.500 . 5.500 4.198 4.044 4.385 . 0 0 "[ . 1]" 1
901 1 49 LEU H 1 61 ALA MB 5.390 . 5.390 3.856 3.606 4.190 . 0 0 "[ . 1]" 1
902 1 49 LEU HA 1 49 LEU MD1 3.930 . 3.930 3.931 3.923 3.938 0.008 5 0 "[ . 1]" 1
903 1 49 LEU HA 1 49 LEU MD2 3.440 . 3.440 2.267 2.168 2.321 . 0 0 "[ . 1]" 1
904 1 49 LEU HA 1 49 LEU HG 3.880 . 3.880 2.930 2.874 2.976 . 0 0 "[ . 1]" 1
905 1 49 LEU HA 1 50 TYR H 3.440 . 3.440 2.422 2.380 2.488 . 0 0 "[ . 1]" 1
906 1 49 LEU HA 1 50 TYR QD 4.010 . 4.010 3.467 3.340 3.594 . 0 0 "[ . 1]" 1
907 1 49 LEU HA 1 58 TYR HB3 5.500 . 5.500 4.606 4.388 4.781 . 0 0 "[ . 1]" 1
908 1 49 LEU HA 1 59 VAL H 5.180 . 5.180 4.603 4.467 4.708 . 0 0 "[ . 1]" 1
909 1 49 LEU HA 1 60 PRO HA 3.620 . 3.620 2.421 2.284 2.504 . 0 0 "[ . 1]" 1
910 1 49 LEU HA 1 60 PRO HB3 4.690 . 4.690 4.651 4.475 4.748 0.058 10 0 "[ . 1]" 1
911 1 49 LEU HA 1 61 ALA H 3.440 . 3.440 2.339 2.035 2.574 . 0 0 "[ . 1]" 1
912 1 49 LEU HA 1 61 ALA MB 4.240 . 4.240 3.164 2.930 3.388 . 0 0 "[ . 1]" 1
913 1 49 LEU HB2 1 49 LEU MD1 3.130 . 3.130 2.221 2.203 2.246 . 0 0 "[ . 1]" 1
914 1 49 LEU HB2 1 50 TYR H 3.680 . 3.680 3.528 3.388 3.599 . 0 0 "[ . 1]" 1
915 1 49 LEU HB2 1 50 TYR HA 5.500 . 5.500 4.307 4.219 4.423 . 0 0 "[ . 1]" 1
916 1 49 LEU HB2 1 58 TYR HA 5.500 . 5.500 4.908 4.633 5.046 . 0 0 "[ . 1]" 1
917 1 49 LEU HB2 1 58 TYR HB2 4.520 . 4.520 4.283 3.974 4.522 0.002 6 0 "[ . 1]" 1
918 1 49 LEU HB2 1 58 TYR HB3 3.790 . 3.790 2.924 2.655 3.115 . 0 0 "[ . 1]" 1
919 1 49 LEU HB2 1 58 TYR QD 4.380 . 4.380 3.939 3.638 4.171 . 0 0 "[ . 1]" 1
920 1 49 LEU HB2 1 59 VAL H 5.180 . 5.180 5.219 5.195 5.256 0.076 9 0 "[ . 1]" 1
921 1 49 LEU HB2 1 60 PRO HA 5.500 . 5.500 4.913 4.812 5.014 . 0 0 "[ . 1]" 1
922 1 49 LEU HB3 1 49 LEU MD1 3.610 . 3.610 2.555 2.510 2.606 . 0 0 "[ . 1]" 1
923 1 49 LEU HB3 1 49 LEU MD2 3.440 . 3.440 2.218 2.196 2.249 . 0 0 "[ . 1]" 1
924 1 49 LEU HB3 1 50 TYR H 3.610 . 3.610 2.401 2.251 2.472 . 0 0 "[ . 1]" 1
925 1 49 LEU HB3 1 50 TYR HA 5.500 . 5.500 4.225 4.174 4.315 . 0 0 "[ . 1]" 1
926 1 49 LEU HB3 1 58 TYR HA 5.200 . 5.200 3.653 3.421 3.745 . 0 0 "[ . 1]" 1
927 1 49 LEU HB3 1 58 TYR HB2 3.890 . 3.890 3.496 3.334 3.717 . 0 0 "[ . 1]" 1
928 1 49 LEU HB3 1 58 TYR HB3 3.850 . 3.850 2.179 1.976 2.346 . 0 0 "[ . 1]" 1
929 1 49 LEU HB3 1 58 TYR QD 4.270 . 4.270 3.818 3.440 4.010 . 0 0 "[ . 1]" 1
930 1 49 LEU HB3 1 59 VAL H 4.890 . 4.890 3.590 3.562 3.634 . 0 0 "[ . 1]" 1
931 1 49 LEU HB3 1 59 VAL HA 5.500 . 5.500 4.440 4.279 4.599 . 0 0 "[ . 1]" 1
932 1 49 LEU HB3 1 60 PRO HA 4.960 . 4.960 4.038 3.936 4.142 . 0 0 "[ . 1]" 1
933 1 49 LEU MD1 1 58 TYR HA 5.500 . 5.500 4.631 4.368 4.802 . 0 0 "[ . 1]" 1
934 1 49 LEU MD1 1 58 TYR HB2 3.810 . 3.810 2.675 2.302 2.909 . 0 0 "[ . 1]" 1
935 1 49 LEU MD1 1 58 TYR HB3 3.880 . 3.880 2.626 2.405 2.811 . 0 0 "[ . 1]" 1
936 1 49 LEU MD1 1 58 TYR QD 4.590 . 4.590 3.945 3.802 4.093 . 0 0 "[ . 1]" 1
937 1 49 LEU MD1 1 59 VAL HA 5.500 . 5.500 4.960 4.628 5.187 . 0 0 "[ . 1]" 1
938 1 49 LEU MD1 1 60 PRO HA 5.240 . 5.240 4.512 4.330 4.635 . 0 0 "[ . 1]" 1
939 1 49 LEU MD1 1 60 PRO HD3 5.110 . 5.110 4.997 4.899 5.130 0.020 4 0 "[ . 1]" 1
940 1 49 LEU MD2 1 50 TYR H 4.210 . 4.210 3.460 3.432 3.492 . 0 0 "[ . 1]" 1
941 1 49 LEU MD2 1 50 TYR QD 4.680 . 4.680 4.738 4.709 4.811 0.131 3 0 "[ . 1]" 1
942 1 49 LEU MD2 1 58 TYR HA 4.350 . 4.350 4.330 4.230 4.388 0.038 5 0 "[ . 1]" 1
943 1 49 LEU MD2 1 58 TYR HB2 3.520 . 3.520 3.455 3.353 3.545 0.025 6 0 "[ . 1]" 1
944 1 49 LEU MD2 1 58 TYR HB3 3.730 . 3.730 3.250 3.001 3.404 . 0 0 "[ . 1]" 1
945 1 49 LEU MD2 1 58 TYR QD 4.920 . 4.920 4.799 4.613 4.915 . 0 0 "[ . 1]" 1
946 1 49 LEU MD2 1 59 VAL H 3.780 . 3.780 3.820 3.780 3.850 0.070 9 0 "[ . 1]" 1
947 1 49 LEU MD2 1 59 VAL HA 4.350 . 4.350 3.005 2.811 3.160 . 0 0 "[ . 1]" 1
948 1 49 LEU MD2 1 60 PRO HA 3.270 . 3.270 1.684 1.504 1.786 . 0 0 "[ . 1]" 1
949 1 49 LEU MD2 1 60 PRO HB2 4.760 . 4.760 3.968 3.785 4.124 . 0 0 "[ . 1]" 1
950 1 49 LEU MD2 1 60 PRO HB3 3.670 . 3.670 3.064 2.679 3.328 . 0 0 "[ . 1]" 1
951 1 49 LEU MD2 1 60 PRO HD2 4.350 . 4.350 3.844 3.714 3.901 . 0 0 "[ . 1]" 1
952 1 49 LEU MD2 1 60 PRO HD3 3.780 . 3.780 2.826 2.712 2.951 . 0 0 "[ . 1]" 1
953 1 49 LEU MD2 1 60 PRO QG 3.860 . 3.860 2.917 2.433 3.795 . 0 0 "[ . 1]" 1
954 1 49 LEU MD2 1 61 ALA H 3.990 . 3.990 3.293 3.061 3.379 . 0 0 "[ . 1]" 1
955 1 49 LEU MD2 1 62 ALA H 5.500 . 5.500 4.933 4.580 5.541 0.041 9 0 "[ . 1]" 1
956 1 49 LEU HG 1 50 TYR H 4.790 . 4.790 4.768 4.724 4.804 0.014 3 0 "[ . 1]" 1
957 1 49 LEU HG 1 58 TYR HB2 5.500 . 5.500 5.418 5.133 5.565 0.065 6 0 "[ . 1]" 1
958 1 49 LEU HG 1 58 TYR HB3 5.110 . 5.110 4.663 4.470 4.854 . 0 0 "[ . 1]" 1
959 1 49 LEU HG 1 60 PRO HA 4.210 . 4.210 3.549 3.327 3.796 . 0 0 "[ . 1]" 1
960 1 49 LEU HG 1 61 ALA H 4.880 . 4.880 4.378 3.987 4.715 . 0 0 "[ . 1]" 1
961 1 50 TYR H 1 50 TYR QD 4.190 . 4.190 2.803 2.712 2.925 . 0 0 "[ . 1]" 1
962 1 50 TYR H 1 58 TYR HA 5.190 . 5.190 3.685 3.480 3.754 . 0 0 "[ . 1]" 1
963 1 50 TYR H 1 58 TYR HB2 5.140 . 5.140 5.168 5.145 5.192 0.052 6 0 "[ . 1]" 1
964 1 50 TYR H 1 58 TYR HB3 4.850 . 4.850 3.708 3.594 3.780 . 0 0 "[ . 1]" 1
965 1 50 TYR H 1 58 TYR QD 5.310 . 5.310 4.385 4.057 4.608 . 0 0 "[ . 1]" 1
966 1 50 TYR H 1 59 VAL HB 5.050 . 5.050 4.749 4.070 5.035 . 0 0 "[ . 1]" 1
967 1 50 TYR H 1 61 ALA HA 5.410 . 5.410 4.989 4.509 5.391 . 0 0 "[ . 1]" 1
968 1 50 TYR H 1 61 ALA MB 5.130 . 5.130 3.740 3.295 4.140 . 0 0 "[ . 1]" 1
969 1 50 TYR HA 1 50 TYR QD 3.870 . 3.870 3.759 3.746 3.767 . 0 0 "[ . 1]" 1
970 1 50 TYR HA 1 51 TRP HB2 5.500 . 5.500 4.597 4.516 4.738 . 0 0 "[ . 1]" 1
971 1 50 TYR HA 1 59 VAL H 5.500 . 5.500 4.841 4.721 4.942 . 0 0 "[ . 1]" 1
972 1 50 TYR QB 1 51 TRP H 3.700 . 3.700 2.759 2.619 2.907 . 0 0 "[ . 1]" 1
973 1 50 TYR HB2 1 51 TRP H 4.360 . 4.360 2.809 2.657 2.969 . 0 0 "[ . 1]" 1
974 1 50 TYR HB2 1 61 ALA MB 5.500 . 5.500 4.285 3.877 4.680 . 0 0 "[ . 1]" 1
975 1 50 TYR HB3 1 51 TRP H 4.360 . 4.360 4.034 3.969 4.144 . 0 0 "[ . 1]" 1
976 1 50 TYR HB3 1 61 ALA MB 5.500 . 5.500 2.788 2.368 3.173 . 0 0 "[ . 1]" 1
977 1 50 TYR QD 1 52 ASP HA 3.830 . 3.830 3.655 3.399 3.813 . 0 0 "[ . 1]" 1
978 1 50 TYR QD 1 52 ASP HB2 4.210 . 4.210 3.700 3.533 3.922 . 0 0 "[ . 1]" 1
979 1 50 TYR QD 1 52 ASP HB3 5.270 . 5.270 5.125 4.998 5.278 0.008 1 0 "[ . 1]" 1
980 1 50 TYR QD 1 59 VAL HB 4.820 . 4.820 4.560 3.615 4.871 0.051 5 0 "[ . 1]" 1
981 1 50 TYR QD 1 61 ALA H 4.760 . 4.760 3.402 3.169 3.671 . 0 0 "[ . 1]" 1
982 1 50 TYR QD 1 61 ALA HA 3.260 . 3.260 2.561 2.080 3.061 . 0 0 "[ . 1]" 1
983 1 50 TYR QD 1 61 ALA MB 3.670 . 3.670 2.051 1.464 2.625 . 0 0 "[ . 1]" 1
984 1 50 TYR QE 1 52 ASP HA 3.660 . 3.660 3.568 3.233 3.694 0.034 9 0 "[ . 1]" 1
985 1 50 TYR QE 1 52 ASP HB2 3.580 . 3.580 2.610 2.382 2.685 . 0 0 "[ . 1]" 1
986 1 50 TYR QE 1 52 ASP HB3 4.340 . 4.340 4.319 4.053 4.398 0.058 3 0 "[ . 1]" 1
987 1 50 TYR QE 1 59 VAL HB 4.320 . 4.320 3.440 2.423 3.855 . 0 0 "[ . 1]" 1
988 1 50 TYR QE 1 61 ALA H 5.030 . 5.030 4.505 4.117 4.757 . 0 0 "[ . 1]" 1
989 1 50 TYR QE 1 61 ALA HA 3.330 . 3.330 2.656 2.259 2.939 . 0 0 "[ . 1]" 1
990 1 50 TYR QE 1 61 ALA MB 4.160 . 4.160 3.655 3.096 4.196 0.036 1 0 "[ . 1]" 1
991 1 51 TRP H 1 51 TRP HB2 3.880 . 3.880 2.813 2.757 2.871 . 0 0 "[ . 1]" 1
992 1 51 TRP H 1 51 TRP HB3 3.320 . 3.320 2.411 2.358 2.463 . 0 0 "[ . 1]" 1
993 1 51 TRP H 1 52 ASP H 5.110 . 5.110 4.405 4.350 4.464 . 0 0 "[ . 1]" 1
994 1 51 TRP H 1 52 ASP HA 5.500 . 5.500 5.260 5.175 5.318 . 0 0 "[ . 1]" 1
995 1 51 TRP H 1 58 TYR QD 5.350 . 5.350 3.715 3.403 3.877 . 0 0 "[ . 1]" 1
996 1 51 TRP HA 1 51 TRP HD1 4.790 . 4.790 4.463 4.363 4.543 . 0 0 "[ . 1]" 1
997 1 51 TRP HA 1 51 TRP HE3 4.070 . 4.070 2.783 2.560 2.981 . 0 0 "[ . 1]" 1
998 1 51 TRP HA 1 52 ASP H 3.020 . 3.020 2.131 2.118 2.147 . 0 0 "[ . 1]" 1
999 1 51 TRP HA 1 52 ASP HB3 4.810 . 4.810 4.654 4.583 4.691 . 0 0 "[ . 1]" 1
1000 1 51 TRP HA 1 58 TYR HA 3.530 . 3.530 2.544 2.457 2.665 . 0 0 "[ . 1]" 1
1001 1 51 TRP HA 1 58 TYR HB2 5.500 . 5.500 5.250 5.093 5.471 . 0 0 "[ . 1]" 1
1002 1 51 TRP HA 1 58 TYR HB3 5.470 . 5.470 4.389 4.195 4.751 . 0 0 "[ . 1]" 1
1003 1 51 TRP HA 1 58 TYR QD 4.030 . 4.030 3.249 3.017 3.558 . 0 0 "[ . 1]" 1
1004 1 51 TRP HA 1 58 TYR QE 5.080 . 5.080 4.303 4.064 4.590 . 0 0 "[ . 1]" 1
1005 1 51 TRP HA 1 59 VAL H 4.720 . 4.720 3.690 3.527 3.796 . 0 0 "[ . 1]" 1
1006 1 51 TRP HB2 1 52 ASP H 4.430 . 4.430 4.276 4.200 4.334 . 0 0 "[ . 1]" 1
1007 1 51 TRP HB2 1 58 TYR HA 4.540 . 4.540 4.325 4.130 4.510 . 0 0 "[ . 1]" 1
1008 1 51 TRP HB2 1 58 TYR QD 3.870 . 3.870 3.071 2.864 3.358 . 0 0 "[ . 1]" 1
1009 1 51 TRP HB2 1 58 TYR QE 3.690 . 3.690 2.716 2.381 2.907 . 0 0 "[ . 1]" 1
1010 1 51 TRP HB3 1 51 TRP HD1 3.260 . 3.260 2.603 2.579 2.631 . 0 0 "[ . 1]" 1
1011 1 51 TRP HB3 1 51 TRP HE1 5.010 . 5.010 4.773 4.766 4.788 . 0 0 "[ . 1]" 1
1012 1 51 TRP HB3 1 52 ASP H 4.650 . 4.650 4.365 4.295 4.433 . 0 0 "[ . 1]" 1
1013 1 51 TRP HB3 1 58 TYR HA 5.500 . 5.500 5.392 5.286 5.535 0.035 1 0 "[ . 1]" 1
1014 1 51 TRP HB3 1 58 TYR QE 5.500 . 5.500 4.260 3.922 4.417 . 0 0 "[ . 1]" 1
1015 1 51 TRP HD1 1 52 ASP HA 5.210 . 5.210 4.383 4.177 4.573 . 0 0 "[ . 1]" 1
1016 1 51 TRP HD1 1 53 GLY QA 5.100 . 5.100 3.729 3.435 4.053 . 0 0 "[ . 1]" 1
1017 1 51 TRP HE1 1 52 ASP HA 5.500 . 5.500 5.413 5.168 5.576 0.076 6 0 "[ . 1]" 1
1018 1 51 TRP HE1 1 53 GLY H 4.910 . 4.910 4.407 4.019 4.691 . 0 0 "[ . 1]" 1
1019 1 51 TRP HE1 1 53 GLY QA 3.510 . 3.510 2.499 2.174 2.784 . 0 0 "[ . 1]" 1
1020 1 51 TRP HE1 1 56 GLU HA 4.710 . 4.710 4.496 4.005 4.747 0.037 5 0 "[ . 1]" 1
1021 1 51 TRP HE3 1 52 ASP H 4.370 . 4.370 4.030 3.587 4.297 . 0 0 "[ . 1]" 1
1022 1 51 TRP HE3 1 58 TYR HA 4.600 . 4.600 3.551 3.215 3.658 . 0 0 "[ . 1]" 1
1023 1 51 TRP HE3 1 58 TYR QE 5.300 . 5.300 3.153 3.014 3.404 . 0 0 "[ . 1]" 1
1024 1 51 TRP HH2 1 56 GLU HA 3.910 . 3.910 3.128 2.876 3.481 . 0 0 "[ . 1]" 1
1025 1 51 TRP HH2 1 56 GLU QB 3.470 . 3.470 3.037 2.753 3.420 . 0 0 "[ . 1]" 1
1026 1 51 TRP HH2 1 56 GLU HG2 5.440 . 5.440 4.220 3.958 4.461 . 0 0 "[ . 1]" 1
1027 1 51 TRP HH2 1 56 GLU QG 4.710 . 4.710 4.077 3.848 4.284 . 0 0 "[ . 1]" 1
1028 1 51 TRP HH2 1 56 GLU HG3 5.440 . 5.440 5.402 5.240 5.535 0.095 8 0 "[ . 1]" 1
1029 1 51 TRP HH2 1 57 THR HA 4.640 . 4.640 4.074 3.787 4.431 . 0 0 "[ . 1]" 1
1030 1 51 TRP HZ2 1 56 GLU HG2 4.980 . 4.980 3.424 2.833 3.732 . 0 0 "[ . 1]" 1
1031 1 51 TRP HZ2 1 56 GLU QG 4.360 . 4.360 3.355 2.799 3.637 . 0 0 "[ . 1]" 1
1032 1 51 TRP HZ2 1 56 GLU HG3 4.980 . 4.980 4.850 4.379 5.040 0.060 10 0 "[ . 1]" 1
1033 1 51 TRP HZ3 1 57 THR HA 4.060 . 4.060 2.669 2.313 3.029 . 0 0 "[ . 1]" 1
1034 1 51 TRP HZ3 1 58 TYR QE 4.450 . 4.450 3.349 2.982 3.777 . 0 0 "[ . 1]" 1
1035 1 52 ASP H 1 52 ASP HB2 3.110 . 3.110 2.895 2.778 3.046 . 0 0 "[ . 1]" 1
1036 1 52 ASP H 1 52 ASP HB3 3.420 . 3.420 2.551 2.502 2.616 . 0 0 "[ . 1]" 1
1037 1 52 ASP H 1 55 LYS HB2 4.950 . 4.950 4.505 3.949 4.798 . 0 0 "[ . 1]" 1
1038 1 52 ASP H 1 57 THR H 4.110 . 4.110 3.204 2.930 3.356 . 0 0 "[ . 1]" 1
1039 1 52 ASP H 1 58 TYR HA 4.230 . 4.230 3.401 3.193 3.833 . 0 0 "[ . 1]" 1
1040 1 52 ASP H 1 59 VAL H 4.300 . 4.300 3.695 3.456 3.999 . 0 0 "[ . 1]" 1
1041 1 52 ASP HB2 1 53 GLY H 5.160 . 5.160 4.265 4.118 4.378 . 0 0 "[ . 1]" 1
1042 1 52 ASP HB2 1 55 LYS HB2 4.580 . 4.580 4.119 3.692 4.437 . 0 0 "[ . 1]" 1
1043 1 52 ASP HB2 1 55 LYS QG 5.340 . 5.340 4.113 3.351 4.548 . 0 0 "[ . 1]" 1
1044 1 52 ASP HB2 1 57 THR H 5.060 . 5.060 4.926 4.437 5.120 0.060 7 0 "[ . 1]" 1
1045 1 52 ASP HB2 1 57 THR MG 5.500 . 5.500 4.582 3.927 5.160 . 0 0 "[ . 1]" 1
1046 1 52 ASP HB2 1 59 VAL H 5.460 . 5.460 4.467 4.038 4.755 . 0 0 "[ . 1]" 1
1047 1 52 ASP HB2 1 59 VAL HB 5.500 . 5.500 4.994 4.143 5.346 . 0 0 "[ . 1]" 1
1048 1 52 ASP HB3 1 53 GLY H 5.060 . 5.060 4.229 4.122 4.320 . 0 0 "[ . 1]" 1
1049 1 52 ASP HB3 1 55 LYS H 4.310 . 4.310 3.096 2.852 3.241 . 0 0 "[ . 1]" 1
1050 1 52 ASP HB3 1 55 LYS HB2 3.340 . 3.340 2.547 2.091 2.813 . 0 0 "[ . 1]" 1
1051 1 52 ASP HB3 1 55 LYS HB3 4.760 . 4.760 4.263 3.760 4.533 . 0 0 "[ . 1]" 1
1052 1 52 ASP HB3 1 55 LYS HG2 4.930 . 4.930 4.058 2.790 5.021 0.091 5 0 "[ . 1]" 1
1053 1 52 ASP HB3 1 55 LYS QG 4.320 . 4.320 3.268 2.583 3.693 . 0 0 "[ . 1]" 1
1054 1 52 ASP HB3 1 55 LYS HG3 4.930 . 4.930 3.661 3.047 4.145 . 0 0 "[ . 1]" 1
1055 1 52 ASP HB3 1 57 THR H 3.920 . 3.920 3.384 2.935 3.644 . 0 0 "[ . 1]" 1
1056 1 52 ASP HB3 1 57 THR MG 4.290 . 4.290 3.451 2.972 4.000 . 0 0 "[ . 1]" 1
1057 1 52 ASP HB3 1 59 VAL HB 5.500 . 5.500 5.501 5.195 5.591 0.091 7 0 "[ . 1]" 1
1058 1 53 GLY QA 1 56 GLU H 4.490 . 4.490 3.474 3.283 3.771 . 0 0 "[ . 1]" 1
1059 1 53 GLY QA 1 56 GLU HA 4.970 . 4.970 3.422 3.085 3.942 . 0 0 "[ . 1]" 1
1060 1 53 GLY QA 1 56 GLU QG 4.630 . 4.630 3.664 2.909 4.095 . 0 0 "[ . 1]" 1
1061 1 54 GLU H 1 54 GLU QB 2.940 . 2.940 2.286 2.202 2.353 . 0 0 "[ . 1]" 1
1062 1 54 GLU H 1 54 GLU HG2 4.770 . 4.770 4.521 4.279 4.705 . 0 0 "[ . 1]" 1
1063 1 54 GLU H 1 54 GLU HG3 4.770 . 4.770 4.503 4.412 4.579 . 0 0 "[ . 1]" 1
1064 1 54 GLU H 1 55 LYS HB2 5.500 . 5.500 4.701 4.483 5.008 . 0 0 "[ . 1]" 1
1065 1 54 GLU HA 1 54 GLU HG2 4.000 . 4.000 3.449 3.121 3.771 . 0 0 "[ . 1]" 1
1066 1 54 GLU HA 1 54 GLU QG 3.490 . 3.490 2.714 2.426 3.020 . 0 0 "[ . 1]" 1
1067 1 54 GLU HA 1 54 GLU HG3 4.000 . 4.000 2.843 2.512 3.178 . 0 0 "[ . 1]" 1
1068 1 54 GLU QB 1 55 LYS H 3.380 . 3.380 2.429 2.271 2.584 . 0 0 "[ . 1]" 1
1069 1 54 GLU QB 1 55 LYS HA 4.820 . 4.820 4.175 4.074 4.319 . 0 0 "[ . 1]" 1
1070 1 54 GLU QB 1 55 LYS HB2 5.340 . 5.340 4.580 4.423 4.810 . 0 0 "[ . 1]" 1
1071 1 54 GLU QB 1 55 LYS QE 5.180 . 5.180 4.733 3.957 5.242 0.062 7 0 "[ . 1]" 1
1072 1 54 GLU QB 1 55 LYS QG 4.040 . 4.040 2.853 2.666 3.013 . 0 0 "[ . 1]" 1
1073 1 54 GLU QG 1 55 LYS H 4.580 . 4.580 3.539 3.281 3.712 . 0 0 "[ . 1]" 1
1074 1 54 GLU QG 1 55 LYS HA 4.920 . 4.920 3.638 3.365 3.933 . 0 0 "[ . 1]" 1
1075 1 54 GLU QG 1 55 LYS QG 4.200 . 4.200 3.533 2.839 3.983 . 0 0 "[ . 1]" 1
1076 1 55 LYS H 1 55 LYS HB2 3.360 . 3.360 2.575 2.496 2.715 . 0 0 "[ . 1]" 1
1077 1 55 LYS H 1 55 LYS HB3 3.910 . 3.910 3.624 3.601 3.661 . 0 0 "[ . 1]" 1
1078 1 55 LYS H 1 55 LYS HD2 5.480 . 5.480 3.582 2.942 4.018 . 0 0 "[ . 1]" 1
1079 1 55 LYS H 1 55 LYS QD 4.810 . 4.810 3.427 2.859 3.826 . 0 0 "[ . 1]" 1
1080 1 55 LYS H 1 55 LYS HD3 5.480 . 5.480 4.397 3.894 4.802 . 0 0 "[ . 1]" 1
1081 1 55 LYS H 1 55 LYS QG 2.940 . 2.940 2.163 2.033 2.332 . 0 0 "[ . 1]" 1
1082 1 55 LYS HA 1 55 LYS HD2 4.700 . 4.700 3.393 2.000 4.701 0.001 2 0 "[ . 1]" 1
1083 1 55 LYS HA 1 55 LYS QD 4.080 . 4.080 3.076 1.991 4.108 0.028 6 0 "[ . 1]" 1
1084 1 55 LYS HA 1 55 LYS HD3 4.700 . 4.700 4.079 3.618 4.560 . 0 0 "[ . 1]" 1
1085 1 55 LYS HA 1 55 LYS QE 5.340 . 5.340 3.856 2.319 5.109 . 0 0 "[ . 1]" 1
1086 1 55 LYS HA 1 55 LYS HG2 3.870 . 3.870 2.974 2.603 3.401 . 0 0 "[ . 1]" 1
1087 1 55 LYS HA 1 55 LYS QG 3.370 . 3.370 2.805 2.482 3.183 . 0 0 "[ . 1]" 1
1088 1 55 LYS HA 1 55 LYS HG3 3.870 . 3.870 3.444 3.019 3.835 . 0 0 "[ . 1]" 1
1089 1 55 LYS HA 1 56 GLU QG 5.330 . 5.330 4.131 3.798 4.416 . 0 0 "[ . 1]" 1
1090 1 55 LYS HA 1 57 THR MG 5.160 . 5.160 3.954 3.798 4.171 . 0 0 "[ . 1]" 1
1091 1 55 LYS HB2 1 55 LYS QE 4.600 . 4.600 3.767 3.458 4.158 . 0 0 "[ . 1]" 1
1092 1 55 LYS HB2 1 56 GLU H 4.350 . 4.350 3.149 3.075 3.275 . 0 0 "[ . 1]" 1
1093 1 55 LYS HB2 1 57 THR H 4.970 . 4.970 3.188 2.949 3.505 . 0 0 "[ . 1]" 1
1094 1 55 LYS HB2 1 57 THR MG 4.000 . 4.000 2.150 1.913 2.536 . 0 0 "[ . 1]" 1
1095 1 55 LYS HB3 1 57 THR H 4.810 . 4.810 4.312 4.076 4.768 . 0 0 "[ . 1]" 1
1096 1 55 LYS HB3 1 57 THR HB 5.170 . 5.170 4.319 3.844 4.672 . 0 0 "[ . 1]" 1
1097 1 55 LYS HB3 1 57 THR MG 3.580 . 3.580 2.317 2.103 2.563 . 0 0 "[ . 1]" 1
1098 1 55 LYS QE 1 55 LYS QG 3.090 . 3.090 2.385 2.117 2.669 . 0 0 "[ . 1]" 1
1099 1 55 LYS QE 1 57 THR MG 4.430 . 4.430 4.131 3.700 4.542 0.112 10 0 "[ . 1]" 1
1100 1 56 GLU H 1 56 GLU HG2 4.120 . 4.120 3.588 3.079 3.816 . 0 0 "[ . 1]" 1
1101 1 56 GLU H 1 56 GLU QG 3.580 . 3.580 2.734 2.651 2.868 . 0 0 "[ . 1]" 1
1102 1 56 GLU H 1 56 GLU HG3 4.120 . 4.120 2.849 2.731 3.023 . 0 0 "[ . 1]" 1
1103 1 56 GLU H 1 57 THR H 3.940 . 3.940 2.777 2.688 3.042 . 0 0 "[ . 1]" 1
1104 1 56 GLU H 1 57 THR MG 4.260 . 4.260 3.861 3.709 4.091 . 0 0 "[ . 1]" 1
1105 1 56 GLU HA 1 56 GLU HG2 4.060 . 4.060 2.557 2.336 2.662 . 0 0 "[ . 1]" 1
1106 1 56 GLU HA 1 56 GLU QG 3.450 . 3.450 2.411 2.287 2.462 . 0 0 "[ . 1]" 1
1107 1 56 GLU HA 1 56 GLU HG3 4.060 . 4.060 2.983 2.867 3.261 . 0 0 "[ . 1]" 1
1108 1 56 GLU HG2 1 57 THR H 5.390 . 5.390 5.140 4.759 5.296 . 0 0 "[ . 1]" 1
1109 1 56 GLU HG3 1 57 THR H 5.390 . 5.390 4.991 4.846 5.287 . 0 0 "[ . 1]" 1
1110 1 57 THR H 1 57 THR MG 3.820 . 3.820 2.532 2.383 2.713 . 0 0 "[ . 1]" 1
1111 1 57 THR HA 1 58 TYR H 3.430 . 3.430 2.397 2.281 2.491 . 0 0 "[ . 1]" 1
1112 1 57 THR HA 1 58 TYR QD 4.640 . 4.640 3.781 3.600 4.013 . 0 0 "[ . 1]" 1
1113 1 57 THR HB 1 58 TYR H 4.260 . 4.260 3.840 3.755 3.964 . 0 0 "[ . 1]" 1
1114 1 57 THR MG 1 58 TYR H 3.860 . 3.860 3.367 3.051 3.685 . 0 0 "[ . 1]" 1
1115 1 57 THR MG 1 58 TYR HA 5.140 . 5.140 3.991 3.840 4.156 . 0 0 "[ . 1]" 1
1116 1 58 TYR H 1 58 TYR HB2 3.430 . 3.430 2.553 2.514 2.615 . 0 0 "[ . 1]" 1
1117 1 58 TYR H 1 58 TYR HB3 3.680 . 3.680 3.665 3.641 3.705 0.025 6 0 "[ . 1]" 1
1118 1 58 TYR H 1 58 TYR QD 3.660 . 3.660 2.452 2.318 2.598 . 0 0 "[ . 1]" 1
1119 1 58 TYR H 1 58 TYR QE 4.980 . 4.980 4.374 4.191 4.585 . 0 0 "[ . 1]" 1
1120 1 58 TYR H 1 59 VAL H 5.480 . 5.480 4.285 4.167 4.358 . 0 0 "[ . 1]" 1
1121 1 58 TYR HA 1 58 TYR QD 3.520 . 3.520 2.926 2.806 2.999 . 0 0 "[ . 1]" 1
1122 1 58 TYR HA 1 59 VAL H 3.050 . 3.050 2.115 2.093 2.135 . 0 0 "[ . 1]" 1
1123 1 58 TYR HB2 1 59 VAL H 4.270 . 4.270 4.298 4.267 4.366 0.096 8 0 "[ . 1]" 1
1124 1 58 TYR HB2 1 59 VAL HA 5.500 . 5.500 4.881 4.811 4.933 . 0 0 "[ . 1]" 1
1125 1 58 TYR HB3 1 59 VAL H 4.260 . 4.260 3.612 3.438 3.783 . 0 0 "[ . 1]" 1
1126 1 58 TYR HB3 1 59 VAL HA 5.470 . 5.470 4.923 4.800 5.002 . 0 0 "[ . 1]" 1
1127 1 58 TYR QD 1 59 VAL H 5.000 . 5.000 4.495 4.317 4.598 . 0 0 "[ . 1]" 1
1128 1 59 VAL H 1 59 VAL HB 3.790 . 3.790 3.477 2.941 3.639 . 0 0 "[ . 1]" 1
1129 1 59 VAL H 1 60 PRO HD2 5.500 . 5.500 5.077 4.732 5.306 . 0 0 "[ . 1]" 1
1130 1 59 VAL H 1 60 PRO HD3 5.500 . 5.500 4.785 4.589 5.183 . 0 0 "[ . 1]" 1
1131 1 59 VAL HA 1 60 PRO HB3 5.450 . 5.450 5.292 4.858 5.503 0.053 1 0 "[ . 1]" 1
1132 1 59 VAL HA 1 60 PRO HD2 3.260 . 3.260 2.605 2.267 2.885 . 0 0 "[ . 1]" 1
1133 1 59 VAL HA 1 60 PRO HD3 3.000 . 3.000 2.044 1.804 2.503 . 0 0 "[ . 1]" 1
1134 1 59 VAL HA 1 60 PRO HG2 4.680 . 4.680 4.451 4.402 4.503 . 0 0 "[ . 1]" 1
1135 1 59 VAL HA 1 60 PRO HG3 4.680 . 4.680 4.176 3.879 4.563 . 0 0 "[ . 1]" 1
1136 1 59 VAL HB 1 60 PRO HD2 3.720 . 3.720 2.745 2.121 3.585 . 0 0 "[ . 1]" 1
1137 1 59 VAL HB 1 60 PRO HD3 4.300 . 4.300 3.685 3.287 4.278 . 0 0 "[ . 1]" 1
1138 1 59 VAL HB 1 60 PRO QG 5.030 . 5.030 4.408 3.413 5.191 0.161 1 0 "[ . 1]" 1
1139 1 60 PRO HA 1 61 ALA H 3.300 . 3.300 2.110 2.088 2.135 . 0 0 "[ . 1]" 1
1140 1 60 PRO HA 1 61 ALA MB 5.130 . 5.130 3.974 3.946 3.998 . 0 0 "[ . 1]" 1
1141 1 60 PRO HB2 1 61 ALA H 3.990 . 3.990 3.850 3.553 4.002 0.012 4 0 "[ . 1]" 1
1142 1 60 PRO HB2 1 62 ALA H 4.600 . 4.600 3.377 2.689 4.533 . 0 0 "[ . 1]" 1
1143 1 60 PRO HB3 1 61 ALA H 4.190 . 4.190 3.726 3.495 4.015 . 0 0 "[ . 1]" 1
1144 1 60 PRO HB3 1 62 ALA H 4.910 . 4.910 3.775 3.076 4.380 . 0 0 "[ . 1]" 1
1145 1 60 PRO HD3 1 61 ALA H 5.500 . 5.500 5.542 5.387 5.617 0.117 2 0 "[ . 1]" 1
1146 1 61 ALA H 1 61 ALA MB 3.200 . 3.200 2.282 2.237 2.338 . 0 0 "[ . 1]" 1
1147 1 61 ALA MB 1 62 ALA H 3.800 . 3.800 3.156 2.651 3.698 . 0 0 "[ . 1]" 1
1148 1 62 ALA H 1 62 ALA MB 3.370 . 3.370 2.555 2.262 2.965 . 0 0 "[ . 1]" 1
1149 1 62 ALA HA 1 63 GLU H 3.520 . 3.520 2.603 2.109 3.553 0.033 9 0 "[ . 1]" 1
1150 1 62 ALA MB 1 63 GLU H 4.420 . 4.420 3.266 2.002 3.701 . 0 0 "[ . 1]" 1
1151 1 63 GLU H 1 63 GLU QB 3.640 . 3.640 2.500 2.258 2.824 . 0 0 "[ . 1]" 1
1152 1 63 GLU H 1 63 GLU HG2 5.230 . 5.230 3.022 1.841 4.607 . 0 0 "[ . 1]" 1
1153 1 63 GLU H 1 63 GLU QG 4.430 . 4.430 2.548 1.823 4.021 . 0 0 "[ . 1]" 1
1154 1 63 GLU H 1 63 GLU HG3 5.230 . 5.230 3.261 2.122 4.594 . 0 0 "[ . 1]" 1
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