NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407963 |
1ylb   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ylb
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 1339
_Distance_constraint_stats_list.Viol_count 49
_Distance_constraint_stats_list.Viol_total 7.024
_Distance_constraint_stats_list.Viol_max 0.431
_Distance_constraint_stats_list.Viol_rms 0.0356
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.1433
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.334 0.334 1 0 "[ ]"
1 2 GLU 0.334 0.334 1 0 "[ ]"
1 3 VAL 0.000 0.000 . 0 "[ ]"
1 4 LEU 0.000 0.000 . 0 "[ ]"
1 5 LEU 0.001 0.001 1 0 "[ ]"
1 6 GLY 0.000 0.000 . 0 "[ ]"
1 7 GLY 0.000 0.000 . 0 "[ ]"
1 8 GLY 0.000 0.000 . 0 "[ ]"
1 9 ASP 0.014 0.014 1 0 "[ ]"
1 10 GLY 0.000 0.000 . 0 "[ ]"
1 11 SER 0.000 0.000 . 0 "[ ]"
1 12 LEU 0.295 0.295 1 0 "[ ]"
1 13 ALA 0.074 0.060 1 0 "[ ]"
1 14 PHE 0.069 0.037 1 0 "[ ]"
1 15 LEU 0.000 0.000 . 0 "[ ]"
1 16 PRO 0.050 0.050 1 0 "[ ]"
1 17 GLY 0.554 0.324 1 0 "[ ]"
1 18 ASP 0.755 0.431 1 0 "[ ]"
1 19 PHE 0.426 0.230 1 0 "[ ]"
1 20 SER 0.000 0.000 . 0 "[ ]"
1 21 VAL 0.000 0.000 . 0 "[ ]"
1 22 ALA 0.000 0.000 . 0 "[ ]"
1 23 SER 0.201 0.201 1 0 "[ ]"
1 24 GLY 0.000 0.000 . 0 "[ ]"
1 25 GLU 0.000 0.000 . 0 "[ ]"
1 26 GLU 0.000 0.000 . 0 "[ ]"
1 27 ILE 0.064 0.064 1 0 "[ ]"
1 28 VAL 0.000 0.000 . 0 "[ ]"
1 29 PHE 1.028 0.404 1 0 "[ ]"
1 30 LYS 0.035 0.035 1 0 "[ ]"
1 31 ASN 0.000 0.000 . 0 "[ ]"
1 32 ASN 0.000 0.000 . 0 "[ ]"
1 33 ALA 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 35 PHE 0.263 0.129 1 0 "[ ]"
1 36 PRO 0.148 0.114 1 0 "[ ]"
1 37 HIS 0.189 0.129 1 0 "[ ]"
1 38 ASN 0.000 0.000 . 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 40 VAL 0.000 0.000 . 0 "[ ]"
1 41 PHE 0.139 0.138 1 0 "[ ]"
1 42 ASP 0.449 0.375 1 0 "[ ]"
1 43 GLU 0.000 0.000 . 0 "[ ]"
1 44 ASP 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.009 0.009 1 0 "[ ]"
1 46 ILE 0.137 0.137 1 0 "[ ]"
1 47 PRO 0.008 0.008 1 0 "[ ]"
1 48 SER 0.000 0.000 . 0 "[ ]"
1 49 GLY 0.000 0.000 . 0 "[ ]"
1 50 VAL 0.000 0.000 . 0 "[ ]"
1 51 ASP 0.142 0.142 1 0 "[ ]"
1 52 ALA 0.000 0.000 . 0 "[ ]"
1 53 ALA 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.142 0.142 1 0 "[ ]"
1 55 ILE 0.027 0.027 1 0 "[ ]"
1 56 SER 0.027 0.027 1 0 "[ ]"
1 57 MET 0.022 0.022 1 0 "[ ]"
1 58 SER 0.000 0.000 . 0 "[ ]"
1 59 GLU 0.000 0.000 . 0 "[ ]"
1 60 GLU 0.200 0.200 1 0 "[ ]"
1 61 ASP 0.022 0.022 1 0 "[ ]"
1 62 LEU 0.401 0.318 1 0 "[ ]"
1 63 LEU 0.000 0.000 . 0 "[ ]"
1 64 ASN 0.000 0.000 . 0 "[ ]"
1 65 ALA 0.000 0.000 . 0 "[ ]"
1 66 PRO 0.126 0.106 1 0 "[ ]"
1 67 GLY 0.141 0.106 1 0 "[ ]"
1 68 GLU 0.285 0.285 1 0 "[ ]"
1 69 THR 0.285 0.285 1 0 "[ ]"
1 70 TYR 1.000 0.404 1 0 "[ ]"
1 71 LYS 0.000 0.000 . 0 "[ ]"
1 72 VAL 0.000 0.000 . 0 "[ ]"
1 73 THR 0.000 0.000 . 0 "[ ]"
1 74 LEU 0.391 0.240 1 0 "[ ]"
1 75 THR 0.159 0.159 1 0 "[ ]"
1 76 GLU 0.327 0.168 1 0 "[ ]"
1 77 LYS 0.581 0.225 1 0 "[ ]"
1 78 GLY 0.081 0.081 1 0 "[ ]"
1 79 THR 0.000 0.000 . 0 "[ ]"
1 80 TYR 0.435 0.151 1 0 "[ ]"
1 81 LYS 0.549 0.375 1 0 "[ ]"
1 82 PHE 0.257 0.174 1 0 "[ ]"
1 83 TYR 0.366 0.268 1 0 "[ ]"
1 84 CYS 0.069 0.037 1 0 "[ ]"
1 85 SER 0.611 0.318 1 0 "[ ]"
1 86 PRO 0.104 0.083 1 0 "[ ]"
1 87 HIS 0.022 0.022 1 0 "[ ]"
1 88 GLN 0.000 0.000 . 0 "[ ]"
1 89 GLY 0.000 0.000 . 0 "[ ]"
1 90 ALA 0.000 0.000 . 0 "[ ]"
1 91 GLY 0.000 0.000 . 0 "[ ]"
1 92 MET 0.000 0.000 . 0 "[ ]"
1 93 VAL 0.000 0.000 . 0 "[ ]"
1 94 GLY 0.000 0.000 . 0 "[ ]"
1 95 LYS 0.431 0.431 1 0 "[ ]"
1 96 VAL 0.000 0.000 . 0 "[ ]"
1 97 THR 0.000 0.000 . 0 "[ ]"
1 98 VAL 0.000 0.000 . 0 "[ ]"
1 99 ASN 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL HA 1 2 GLU H . . 3.170 2.123 2.123 2.123 . 0 0 "[ ]" 1
2 1 1 VAL HA 1 2 GLU QB . . 4.170 4.504 4.504 4.504 0.334 1 0 "[ ]" 1
3 1 1 VAL HB 1 2 GLU H . . 4.420 4.167 4.167 4.167 . 0 0 "[ ]" 1
4 1 1 VAL MG1 1 2 GLU H . . 6.530 2.615 2.615 2.615 . 0 0 "[ ]" 1
5 1 1 VAL MG1 1 3 VAL MG2 . . 6.780 2.657 2.657 2.657 . 0 0 "[ ]" 1
6 1 1 VAL MG1 1 19 PHE HD1 . . 5.570 4.322 4.322 4.322 . 0 0 "[ ]" 1
7 1 1 VAL MG1 1 19 PHE HE1 . . 5.160 4.036 4.036 4.036 . 0 0 "[ ]" 1
8 1 1 VAL MG1 1 19 PHE HZ . . 6.530 3.334 3.334 3.334 . 0 0 "[ ]" 1
9 1 1 VAL MG1 1 27 ILE QG . . 7.400 4.621 4.621 4.621 . 0 0 "[ ]" 1
10 1 1 VAL MG1 1 28 VAL H . . 6.530 4.344 4.344 4.344 . 0 0 "[ ]" 1
11 1 1 VAL MG2 1 2 GLU H . . 5.350 3.788 3.788 3.788 . 0 0 "[ ]" 1
12 1 1 VAL MG2 1 3 VAL MG2 . . 7.560 4.832 4.832 4.832 . 0 0 "[ ]" 1
13 1 1 VAL MG2 1 19 PHE HD1 . . 6.430 5.365 5.365 5.365 . 0 0 "[ ]" 1
14 1 1 VAL MG2 1 19 PHE HE1 . . 6.530 5.340 5.340 5.340 . 0 0 "[ ]" 1
15 1 2 GLU H 1 2 GLU QB . . 3.330 3.022 3.022 3.022 . 0 0 "[ ]" 1
16 1 2 GLU HA 1 3 VAL H . . 3.390 2.156 2.156 2.156 . 0 0 "[ ]" 1
17 1 2 GLU HA 1 3 VAL MG2 . . 5.230 3.500 3.500 3.500 . 0 0 "[ ]" 1
18 1 2 GLU HA 1 28 VAL H . . 3.950 2.957 2.957 2.957 . 0 0 "[ ]" 1
19 1 2 GLU HA 1 28 VAL HB . . 4.320 2.265 2.265 2.265 . 0 0 "[ ]" 1
20 1 2 GLU HA 1 28 VAL MG1 . . 5.190 3.268 3.268 3.268 . 0 0 "[ ]" 1
21 1 2 GLU HA 1 28 VAL MG2 . . 6.340 3.915 3.915 3.915 . 0 0 "[ ]" 1
22 1 2 GLU QB 1 3 VAL H . . 4.170 3.591 3.591 3.591 . 0 0 "[ ]" 1
23 1 2 GLU QB 1 28 VAL MG1 . . 4.420 2.778 2.778 2.778 . 0 0 "[ ]" 1
24 1 3 VAL H 1 3 VAL HB . . 3.860 3.423 3.423 3.423 . 0 0 "[ ]" 1
25 1 3 VAL H 1 28 VAL MG1 . . 6.530 4.225 4.225 4.225 . 0 0 "[ ]" 1
26 1 3 VAL H 1 29 PHE HA . . 4.290 3.084 3.084 3.084 . 0 0 "[ ]" 1
27 1 3 VAL H 1 29 PHE HD1 . . 5.500 4.318 4.318 4.318 . 0 0 "[ ]" 1
28 1 3 VAL H 1 30 LYS H . . 4.880 4.032 4.032 4.032 . 0 0 "[ ]" 1
29 1 3 VAL H 1 30 LYS QB . . 5.500 5.187 5.187 5.187 . 0 0 "[ ]" 1
30 1 3 VAL H 1 30 LYS QG . . 5.500 4.798 4.798 4.798 . 0 0 "[ ]" 1
31 1 3 VAL HA 1 3 VAL MG2 . . 3.680 2.978 2.978 2.978 . 0 0 "[ ]" 1
32 1 3 VAL HA 1 4 LEU H . . 3.240 2.027 2.027 2.027 . 0 0 "[ ]" 1
33 1 3 VAL HA 1 16 PRO HD2 . . 3.890 2.298 2.298 2.298 . 0 0 "[ ]" 1
34 1 3 VAL HA 1 16 PRO HD3 . . 5.380 3.808 3.808 3.808 . 0 0 "[ ]" 1
35 1 3 VAL HB 1 4 LEU H . . 4.040 3.774 3.774 3.774 . 0 0 "[ ]" 1
36 1 3 VAL HB 1 14 PHE QD . . 5.500 2.583 2.583 2.583 . 0 0 "[ ]" 1
37 1 3 VAL HB 1 14 PHE QE . . 5.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
38 1 3 VAL HB 1 14 PHE HZ . . 4.380 4.249 4.249 4.249 . 0 0 "[ ]" 1
39 1 3 VAL HB 1 29 PHE HD1 . . 4.660 3.157 3.157 3.157 . 0 0 "[ ]" 1
40 1 3 VAL HB 1 29 PHE HE1 . . 5.500 5.004 5.004 5.004 . 0 0 "[ ]" 1
41 1 3 VAL MG1 1 4 LEU H . . 5.290 3.127 3.127 3.127 . 0 0 "[ ]" 1
42 1 3 VAL MG1 1 14 PHE HA . . 4.820 4.505 4.505 4.505 . 0 0 "[ ]" 1
43 1 3 VAL MG1 1 14 PHE HB2 . . 5.290 3.865 3.865 3.865 . 0 0 "[ ]" 1
44 1 3 VAL MG1 1 14 PHE QD . . 5.290 3.006 3.006 3.006 . 0 0 "[ ]" 1
45 1 3 VAL MG1 1 14 PHE QE . . 6.530 3.640 3.640 3.640 . 0 0 "[ ]" 1
46 1 3 VAL MG1 1 14 PHE HZ . . 5.540 4.605 4.605 4.605 . 0 0 "[ ]" 1
47 1 3 VAL MG1 1 16 PRO HD2 . . 6.250 2.094 2.094 2.094 . 0 0 "[ ]" 1
48 1 3 VAL MG1 1 16 PRO HD3 . . 6.530 3.547 3.547 3.547 . 0 0 "[ ]" 1
49 1 3 VAL MG1 1 19 PHE HE1 . . 5.940 3.053 3.053 3.053 . 0 0 "[ ]" 1
50 1 3 VAL MG1 1 29 PHE HD1 . . 5.350 3.965 3.965 3.965 . 0 0 "[ ]" 1
51 1 3 VAL MG1 1 29 PHE HE1 . . 5.130 4.645 4.645 4.645 . 0 0 "[ ]" 1
52 1 3 VAL MG2 1 4 LEU H . . 6.530 4.450 4.450 4.450 . 0 0 "[ ]" 1
53 1 3 VAL MG2 1 16 PRO HD2 . . 5.880 3.918 3.918 3.918 . 0 0 "[ ]" 1
54 1 3 VAL MG2 1 16 PRO HD3 . . 6.500 5.319 5.319 5.319 . 0 0 "[ ]" 1
55 1 3 VAL MG2 1 19 PHE HD1 . . 5.970 4.568 4.568 4.568 . 0 0 "[ ]" 1
56 1 3 VAL MG2 1 19 PHE HE1 . . 4.570 2.966 2.966 2.966 . 0 0 "[ ]" 1
57 1 3 VAL MG2 1 19 PHE HZ . . 4.300 3.145 3.145 3.145 . 0 0 "[ ]" 1
58 1 3 VAL MG2 1 29 PHE HA . . 4.920 2.478 2.478 2.478 . 0 0 "[ ]" 1
59 1 3 VAL MG2 1 29 PHE HD1 . . 5.410 2.117 2.117 2.117 . 0 0 "[ ]" 1
60 1 4 LEU H 1 4 LEU HB2 . . 3.790 2.325 2.325 2.325 . 0 0 "[ ]" 1
61 1 4 LEU H 1 4 LEU HG . . 4.940 4.449 4.449 4.449 . 0 0 "[ ]" 1
62 1 4 LEU HA 1 4 LEU MD1 . . 3.860 2.152 2.152 2.152 . 0 0 "[ ]" 1
63 1 4 LEU HA 1 5 LEU H . . 3.360 2.224 2.224 2.224 . 0 0 "[ ]" 1
64 1 4 LEU HA 1 5 LEU HB2 . . 5.000 4.535 4.535 4.535 . 0 0 "[ ]" 1
65 1 4 LEU HA 1 5 LEU MD1 . . 6.530 3.668 3.668 3.668 . 0 0 "[ ]" 1
66 1 4 LEU HA 1 5 LEU HG . . 5.500 5.145 5.145 5.145 . 0 0 "[ ]" 1
67 1 4 LEU HA 1 30 LYS QB . . 5.500 4.579 4.579 4.579 . 0 0 "[ ]" 1
68 1 4 LEU HA 1 32 ASN QB . . 5.500 4.092 4.092 4.092 . 0 0 "[ ]" 1
69 1 4 LEU HB2 1 5 LEU H . . 5.160 4.601 4.601 4.601 . 0 0 "[ ]" 1
70 1 4 LEU MD1 1 5 LEU H . . 6.530 3.458 3.458 3.458 . 0 0 "[ ]" 1
71 1 4 LEU MD1 1 30 LYS H . . 6.530 4.415 4.415 4.415 . 0 0 "[ ]" 1
72 1 4 LEU MD1 1 30 LYS QB . . 5.130 4.116 4.116 4.116 . 0 0 "[ ]" 1
73 1 4 LEU MD1 1 32 ASN QB . . 5.290 2.134 2.134 2.134 . 0 0 "[ ]" 1
74 1 4 LEU MD1 1 32 ASN HD22 . . 6.530 5.029 5.029 5.029 . 0 0 "[ ]" 1
75 1 4 LEU MD2 1 5 LEU H . . 6.530 5.112 5.112 5.112 . 0 0 "[ ]" 1
76 1 4 LEU MD2 1 32 ASN QB . . 6.220 2.876 2.876 2.876 . 0 0 "[ ]" 1
77 1 4 LEU MD2 1 32 ASN HD21 . . 6.530 4.013 4.013 4.013 . 0 0 "[ ]" 1
78 1 4 LEU MD2 1 32 ASN HD22 . . 6.530 4.140 4.140 4.140 . 0 0 "[ ]" 1
79 1 5 LEU H 1 5 LEU HB2 . . 4.230 2.372 2.372 2.372 . 0 0 "[ ]" 1
80 1 5 LEU H 1 5 LEU HG . . 5.500 3.277 3.277 3.277 . 0 0 "[ ]" 1
81 1 5 LEU H 1 31 ASN HA . . 4.760 3.478 3.478 3.478 . 0 0 "[ ]" 1
82 1 5 LEU HA 1 6 GLY H . . 3.330 2.217 2.217 2.217 . 0 0 "[ ]" 1
83 1 5 LEU HA 1 6 GLY HA2 . . 5.500 4.297 4.297 4.297 . 0 0 "[ ]" 1
84 1 5 LEU HA 1 14 PHE HA . . 3.890 2.653 2.653 2.653 . 0 0 "[ ]" 1
85 1 5 LEU HA 1 14 PHE QD . . 5.500 3.046 3.046 3.046 . 0 0 "[ ]" 1
86 1 5 LEU HA 1 92 MET ME . . 4.360 2.026 2.026 2.026 . 0 0 "[ ]" 1
87 1 5 LEU HB2 1 31 ASN HA . . 3.520 2.211 2.211 2.211 . 0 0 "[ ]" 1
88 1 5 LEU HB2 1 32 ASN H . . 5.410 3.584 3.584 3.584 . 0 0 "[ ]" 1
89 1 5 LEU HB2 1 37 HIS HD2 . . 5.190 4.252 4.252 4.252 . 0 0 "[ ]" 1
90 1 5 LEU HB2 1 92 MET ME . . 6.530 3.589 3.589 3.589 . 0 0 "[ ]" 1
91 1 5 LEU MD1 1 6 GLY H . . 6.530 5.151 5.151 5.151 . 0 0 "[ ]" 1
92 1 5 LEU MD1 1 14 PHE QE . . 6.530 2.210 2.210 2.210 . 0 0 "[ ]" 1
93 1 5 LEU MD1 1 14 PHE HZ . . 6.310 3.537 3.537 3.537 . 0 0 "[ ]" 1
94 1 5 LEU MD1 1 29 PHE HA . . 5.260 2.954 2.954 2.954 . 0 0 "[ ]" 1
95 1 5 LEU MD1 1 29 PHE HB3 . . 5.970 2.073 2.073 2.073 . 0 0 "[ ]" 1
96 1 5 LEU MD1 1 29 PHE HD1 . . 6.220 3.722 3.722 3.722 . 0 0 "[ ]" 1
97 1 5 LEU MD1 1 31 ASN H . . 6.530 4.207 4.207 4.207 . 0 0 "[ ]" 1
98 1 5 LEU MD1 1 31 ASN HA . . 4.080 3.415 3.415 3.415 . 0 0 "[ ]" 1
99 1 5 LEU MD1 1 32 ASN H . . 6.530 5.047 5.047 5.047 . 0 0 "[ ]" 1
100 1 5 LEU MD1 1 37 HIS HB2 . . 6.530 3.927 3.927 3.927 . 0 0 "[ ]" 1
101 1 5 LEU MD1 1 37 HIS HB3 . . 6.090 4.049 4.049 4.049 . 0 0 "[ ]" 1
102 1 5 LEU MD1 1 37 HIS HD2 . . 6.220 5.295 5.295 5.295 . 0 0 "[ ]" 1
103 1 5 LEU MD1 1 39 VAL MG1 . . 7.560 4.765 4.765 4.765 . 0 0 "[ ]" 1
104 1 5 LEU MD1 1 39 VAL MG2 . . 7.560 2.661 2.661 2.661 . 0 0 "[ ]" 1
105 1 5 LEU MD1 1 92 MET ME . . 7.560 3.512 3.512 3.512 . 0 0 "[ ]" 1
106 1 5 LEU MD2 1 6 GLY H . . 6.530 4.892 4.892 4.892 . 0 0 "[ ]" 1
107 1 5 LEU MD2 1 14 PHE QD . . 5.720 4.187 4.187 4.187 . 0 0 "[ ]" 1
108 1 5 LEU MD2 1 14 PHE QE . . 5.380 3.183 3.183 3.183 . 0 0 "[ ]" 1
109 1 5 LEU MD2 1 14 PHE HZ . . 4.760 3.272 3.272 3.272 . 0 0 "[ ]" 1
110 1 5 LEU MD2 1 29 PHE HB3 . . 5.690 3.758 3.758 3.758 . 0 0 "[ ]" 1
111 1 5 LEU MD2 1 29 PHE HD1 . . 6.120 5.119 5.119 5.119 . 0 0 "[ ]" 1
112 1 5 LEU MD2 1 37 HIS HB2 . . 6.340 2.610 2.610 2.610 . 0 0 "[ ]" 1
113 1 5 LEU MD2 1 37 HIS HB3 . . 5.750 1.985 1.985 1.985 . 0 0 "[ ]" 1
114 1 5 LEU MD2 1 39 VAL MG1 . . 7.560 4.755 4.755 4.755 . 0 0 "[ ]" 1
115 1 5 LEU MD2 1 39 VAL MG2 . . 7.560 2.342 2.342 2.342 . 0 0 "[ ]" 1
116 1 5 LEU MD2 1 92 MET ME . . 7.560 2.054 2.054 2.054 . 0 0 "[ ]" 1
117 1 5 LEU HG 1 14 PHE QD . . 5.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
118 1 5 LEU HG 1 14 PHE QE . . 5.500 2.548 2.548 2.548 . 0 0 "[ ]" 1
119 1 5 LEU HG 1 14 PHE HZ . . 5.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
120 1 5 LEU HG 1 29 PHE HD1 . . 5.500 5.501 5.501 5.501 0.001 1 0 "[ ]" 1
121 1 5 LEU HG 1 39 VAL MG2 . . 6.530 3.850 3.850 3.850 . 0 0 "[ ]" 1
122 1 5 LEU HG 1 92 MET ME . . 6.530 2.239 2.239 2.239 . 0 0 "[ ]" 1
123 1 6 GLY H 1 7 GLY H . . 5.190 2.042 2.042 2.042 . 0 0 "[ ]" 1
124 1 6 GLY H 1 13 ALA H . . 4.940 3.601 3.601 3.601 . 0 0 "[ ]" 1
125 1 6 GLY H 1 15 LEU MD1 . . 6.530 5.451 5.451 5.451 . 0 0 "[ ]" 1
126 1 6 GLY H 1 92 MET ME . . 6.530 2.871 2.871 2.871 . 0 0 "[ ]" 1
127 1 6 GLY HA2 1 7 GLY H . . 3.610 2.734 2.734 2.734 . 0 0 "[ ]" 1
128 1 6 GLY HA2 1 13 ALA H . . 4.320 3.013 3.013 3.013 . 0 0 "[ ]" 1
129 1 6 GLY HA2 1 33 ALA H . . 5.070 4.149 4.149 4.149 . 0 0 "[ ]" 1
130 1 6 GLY HA2 1 33 ALA MB . . 6.530 3.807 3.807 3.807 . 0 0 "[ ]" 1
131 1 6 GLY HA2 1 92 MET ME . . 6.530 3.918 3.918 3.918 . 0 0 "[ ]" 1
132 1 6 GLY HA3 1 7 GLY H . . 4.040 3.546 3.546 3.546 . 0 0 "[ ]" 1
133 1 6 GLY HA3 1 13 ALA H . . 5.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
134 1 6 GLY HA3 1 33 ALA H . . 4.260 2.490 2.490 2.490 . 0 0 "[ ]" 1
135 1 6 GLY HA3 1 33 ALA MB . . 4.540 2.850 2.850 2.850 . 0 0 "[ ]" 1
136 1 6 GLY HA3 1 92 MET ME . . 6.530 4.575 4.575 4.575 . 0 0 "[ ]" 1
137 1 7 GLY H 1 11 SER H . . 5.500 5.145 5.145 5.145 . 0 0 "[ ]" 1
138 1 7 GLY H 1 33 ALA MB . . 6.530 5.184 5.184 5.184 . 0 0 "[ ]" 1
139 1 7 GLY HA2 1 9 ASP H . . 5.500 4.159 4.159 4.159 . 0 0 "[ ]" 1
140 1 7 GLY HA2 1 11 SER H . . 5.500 5.189 5.189 5.189 . 0 0 "[ ]" 1
141 1 7 GLY HA2 1 15 LEU MD1 . . 4.390 2.233 2.233 2.233 . 0 0 "[ ]" 1
142 1 7 GLY HA2 1 15 LEU MD2 . . 6.530 4.459 4.459 4.459 . 0 0 "[ ]" 1
143 1 7 GLY HA3 1 9 ASP H . . 5.470 4.404 4.404 4.404 . 0 0 "[ ]" 1
144 1 7 GLY HA3 1 11 SER H . . 5.500 4.167 4.167 4.167 . 0 0 "[ ]" 1
145 1 8 GLY HA2 1 33 ALA MB . . 6.530 4.547 4.547 4.547 . 0 0 "[ ]" 1
146 1 9 ASP H 1 10 GLY H . . 5.130 3.433 3.433 3.433 . 0 0 "[ ]" 1
147 1 9 ASP H 1 11 SER H . . 5.500 3.510 3.510 3.510 . 0 0 "[ ]" 1
148 1 9 ASP H 1 13 ALA H . . 5.500 5.514 5.514 5.514 0.014 1 0 "[ ]" 1
149 1 9 ASP HA 1 10 GLY H . . 5.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
150 1 9 ASP HB3 1 10 GLY H . . 5.500 2.683 2.683 2.683 . 0 0 "[ ]" 1
151 1 10 GLY H 1 11 SER H . . 4.320 2.782 2.782 2.782 . 0 0 "[ ]" 1
152 1 10 GLY H 1 33 ALA MB . . 6.530 4.728 4.728 4.728 . 0 0 "[ ]" 1
153 1 10 GLY HA2 1 11 SER H . . 4.850 3.375 3.375 3.375 . 0 0 "[ ]" 1
154 1 10 GLY HA3 1 11 SER H . . 5.190 3.390 3.390 3.390 . 0 0 "[ ]" 1
155 1 10 GLY HA3 1 33 ALA MB . . 6.530 6.421 6.421 6.421 . 0 0 "[ ]" 1
156 1 11 SER H 1 11 SER HB2 . . 4.170 2.884 2.884 2.884 . 0 0 "[ ]" 1
157 1 11 SER H 1 11 SER HB3 . . 4.380 3.931 3.931 3.931 . 0 0 "[ ]" 1
158 1 11 SER H 1 12 LEU H . . 5.500 3.957 3.957 3.957 . 0 0 "[ ]" 1
159 1 11 SER HA 1 12 LEU H . . 3.700 2.150 2.150 2.150 . 0 0 "[ ]" 1
160 1 11 SER HA 1 12 LEU HB2 . . 4.790 4.425 4.425 4.425 . 0 0 "[ ]" 1
161 1 11 SER HA 1 13 ALA MB . . 6.530 4.241 4.241 4.241 . 0 0 "[ ]" 1
162 1 11 SER HB2 1 12 LEU H . . 5.000 4.433 4.433 4.433 . 0 0 "[ ]" 1
163 1 11 SER HB2 1 13 ALA MB . . 6.220 3.273 3.273 3.273 . 0 0 "[ ]" 1
164 1 11 SER HB3 1 12 LEU H . . 4.790 3.717 3.717 3.717 . 0 0 "[ ]" 1
165 1 11 SER HB3 1 13 ALA MB . . 5.380 2.829 2.829 2.829 . 0 0 "[ ]" 1
166 1 12 LEU H 1 12 LEU HB2 . . 3.860 2.387 2.387 2.387 . 0 0 "[ ]" 1
167 1 12 LEU H 1 12 LEU HB3 . . 4.070 2.574 2.574 2.574 . 0 0 "[ ]" 1
168 1 12 LEU H 1 12 LEU HG . . 5.220 4.550 4.550 4.550 . 0 0 "[ ]" 1
169 1 12 LEU H 1 13 ALA H . . 5.040 3.925 3.925 3.925 . 0 0 "[ ]" 1
170 1 12 LEU HA 1 12 LEU MD1 . . 4.390 2.072 2.072 2.072 . 0 0 "[ ]" 1
171 1 12 LEU HA 1 12 LEU MD2 . . 3.430 3.725 3.725 3.725 0.295 1 0 "[ ]" 1
172 1 12 LEU HA 1 12 LEU HG . . 4.420 2.990 2.990 2.990 . 0 0 "[ ]" 1
173 1 12 LEU HA 1 13 ALA H . . 3.670 2.376 2.376 2.376 . 0 0 "[ ]" 1
174 1 12 LEU HA 1 13 ALA HA . . 5.500 4.524 4.524 4.524 . 0 0 "[ ]" 1
175 1 12 LEU HA 1 37 HIS HE1 . . 5.500 4.424 4.424 4.424 . 0 0 "[ ]" 1
176 1 12 LEU HB2 1 37 HIS HE1 . . 5.500 5.489 5.489 5.489 . 0 0 "[ ]" 1
177 1 12 LEU MD1 1 37 HIS HE1 . . 6.530 2.093 2.093 2.093 . 0 0 "[ ]" 1
178 1 12 LEU MD1 1 87 HIS HB3 . . 6.530 3.946 3.946 3.946 . 0 0 "[ ]" 1
179 1 12 LEU MD1 1 87 HIS HD2 . . 5.750 4.294 4.294 4.294 . 0 0 "[ ]" 1
180 1 12 LEU MD1 1 87 HIS HE1 . . 6.530 3.702 3.702 3.702 . 0 0 "[ ]" 1
181 1 12 LEU MD1 1 90 ALA MB . . 6.220 4.726 4.726 4.726 . 0 0 "[ ]" 1
182 1 12 LEU MD2 1 13 ALA H . . 6.530 5.332 5.332 5.332 . 0 0 "[ ]" 1
183 1 12 LEU MD2 1 34 GLY HA2 . . 6.470 5.961 5.961 5.961 . 0 0 "[ ]" 1
184 1 12 LEU MD2 1 34 GLY HA3 . . 6.060 5.106 5.106 5.106 . 0 0 "[ ]" 1
185 1 12 LEU MD2 1 37 HIS HE1 . . 4.610 4.045 4.045 4.045 . 0 0 "[ ]" 1
186 1 12 LEU MD2 1 37 HIS HE2 . . 6.530 5.863 5.863 5.863 . 0 0 "[ ]" 1
187 1 12 LEU MD2 1 87 HIS HB2 . . 6.530 4.114 4.114 4.114 . 0 0 "[ ]" 1
188 1 12 LEU MD2 1 87 HIS HD2 . . 6.530 2.811 2.811 2.811 . 0 0 "[ ]" 1
189 1 12 LEU MD2 1 87 HIS HE1 . . 6.530 4.382 4.382 4.382 . 0 0 "[ ]" 1
190 1 12 LEU HG 1 90 ALA MB . . 6.430 4.159 4.159 4.159 . 0 0 "[ ]" 1
191 1 13 ALA H 1 14 PHE H . . 5.500 4.457 4.457 4.457 . 0 0 "[ ]" 1
192 1 13 ALA H 1 37 HIS HE1 . . 5.500 5.560 5.560 5.560 0.060 1 0 "[ ]" 1
193 1 13 ALA H 1 92 MET ME . . 6.530 4.188 4.188 4.188 . 0 0 "[ ]" 1
194 1 13 ALA HA 1 14 PHE H . . 3.550 2.506 2.506 2.506 . 0 0 "[ ]" 1
195 1 13 ALA HA 1 14 PHE QD . . 5.500 4.834 4.834 4.834 . 0 0 "[ ]" 1
196 1 13 ALA HA 1 92 MET HB2 . . 5.500 3.242 3.242 3.242 . 0 0 "[ ]" 1
197 1 13 ALA HA 1 92 MET ME . . 6.530 3.282 3.282 3.282 . 0 0 "[ ]" 1
198 1 13 ALA HA 1 92 MET HG2 . . 5.500 4.139 4.139 4.139 . 0 0 "[ ]" 1
199 1 13 ALA HA 1 92 MET HG3 . . 4.880 2.407 2.407 2.407 . 0 0 "[ ]" 1
200 1 13 ALA MB 1 14 PHE H . . 5.190 2.314 2.314 2.314 . 0 0 "[ ]" 1
201 1 13 ALA MB 1 92 MET ME . . 7.560 4.203 4.203 4.203 . 0 0 "[ ]" 1
202 1 14 PHE H 1 14 PHE HB2 . . 4.380 2.359 2.359 2.359 . 0 0 "[ ]" 1
203 1 14 PHE H 1 14 PHE HB3 . . 3.790 3.613 3.613 3.613 . 0 0 "[ ]" 1
204 1 14 PHE H 1 14 PHE QD . . 5.340 3.231 3.231 3.231 . 0 0 "[ ]" 1
205 1 14 PHE HA 1 15 LEU H . . 3.330 2.324 2.324 2.324 . 0 0 "[ ]" 1
206 1 14 PHE HA 1 92 MET ME . . 5.720 2.805 2.805 2.805 . 0 0 "[ ]" 1
207 1 14 PHE HB2 1 15 LEU H . . 4.720 3.845 3.845 3.845 . 0 0 "[ ]" 1
208 1 14 PHE HB2 1 17 GLY HA2 . . 3.790 2.545 2.545 2.545 . 0 0 "[ ]" 1
209 1 14 PHE HB2 1 17 GLY HA3 . . 5.250 3.745 3.745 3.745 . 0 0 "[ ]" 1
210 1 14 PHE HB3 1 15 LEU H . . 5.100 2.527 2.527 2.527 . 0 0 "[ ]" 1
211 1 14 PHE QD 1 39 VAL MG2 . . 6.530 4.507 4.507 4.507 . 0 0 "[ ]" 1
212 1 14 PHE QD 1 82 PHE QD . . 5.500 5.322 5.322 5.322 . 0 0 "[ ]" 1
213 1 14 PHE QD 1 82 PHE HZ . . 5.500 4.936 4.936 4.936 . 0 0 "[ ]" 1
214 1 14 PHE QD 1 83 TYR HA . . 5.500 4.275 4.275 4.275 . 0 0 "[ ]" 1
215 1 14 PHE QD 1 84 CYS H . . 5.500 5.453 5.453 5.453 . 0 0 "[ ]" 1
216 1 14 PHE QD 1 92 MET ME . . 6.430 3.117 3.117 3.117 . 0 0 "[ ]" 1
217 1 14 PHE QD 1 92 MET HG2 . . 5.500 4.103 4.103 4.103 . 0 0 "[ ]" 1
218 1 14 PHE QD 1 93 VAL H . . 5.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
219 1 14 PHE QD 1 93 VAL HA . . 5.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
220 1 14 PHE QD 1 94 GLY H . . 5.500 3.564 3.564 3.564 . 0 0 "[ ]" 1
221 1 14 PHE QD 1 94 GLY HA2 . . 5.500 3.280 3.280 3.280 . 0 0 "[ ]" 1
222 1 14 PHE QE 1 39 VAL HA . . 5.500 4.842 4.842 4.842 . 0 0 "[ ]" 1
223 1 14 PHE QE 1 39 VAL MG2 . . 5.410 2.812 2.812 2.812 . 0 0 "[ ]" 1
224 1 14 PHE QE 1 82 PHE QD . . 4.720 3.566 3.566 3.566 . 0 0 "[ ]" 1
225 1 14 PHE QE 1 83 TYR HA . . 4.420 2.683 2.683 2.683 . 0 0 "[ ]" 1
226 1 14 PHE QE 1 83 TYR HB2 . . 5.500 5.073 5.073 5.073 . 0 0 "[ ]" 1
227 1 14 PHE QE 1 84 CYS H . . 5.500 4.287 4.287 4.287 . 0 0 "[ ]" 1
228 1 14 PHE QE 1 84 CYS HA . . 5.500 5.443 5.443 5.443 . 0 0 "[ ]" 1
229 1 14 PHE QE 1 84 CYS HB2 . . 5.500 4.287 4.287 4.287 . 0 0 "[ ]" 1
230 1 14 PHE QE 1 92 MET ME . . 6.530 3.398 3.398 3.398 . 0 0 "[ ]" 1
231 1 14 PHE QE 1 92 MET HG2 . . 5.250 4.062 4.062 4.062 . 0 0 "[ ]" 1
232 1 14 PHE QE 1 92 MET HG3 . . 5.500 4.651 4.651 4.651 . 0 0 "[ ]" 1
233 1 14 PHE QE 1 93 VAL H . . 5.500 5.488 5.488 5.488 . 0 0 "[ ]" 1
234 1 14 PHE QE 1 93 VAL HA . . 4.910 3.861 3.861 3.861 . 0 0 "[ ]" 1
235 1 14 PHE QE 1 94 GLY H . . 5.500 3.095 3.095 3.095 . 0 0 "[ ]" 1
236 1 14 PHE HZ 1 39 VAL HA . . 5.500 4.006 4.006 4.006 . 0 0 "[ ]" 1
237 1 14 PHE HZ 1 39 VAL MG1 . . 6.090 3.697 3.697 3.697 . 0 0 "[ ]" 1
238 1 14 PHE HZ 1 39 VAL MG2 . . 5.380 1.885 1.885 1.885 . 0 0 "[ ]" 1
239 1 14 PHE HZ 1 82 PHE HB2 . . 5.500 4.454 4.454 4.454 . 0 0 "[ ]" 1
240 1 14 PHE HZ 1 82 PHE QD . . 5.500 2.616 2.616 2.616 . 0 0 "[ ]" 1
241 1 14 PHE HZ 1 83 TYR HA . . 5.500 4.463 4.463 4.463 . 0 0 "[ ]" 1
242 1 14 PHE HZ 1 84 CYS H . . 5.500 5.537 5.537 5.537 0.037 1 0 "[ ]" 1
243 1 14 PHE HZ 1 84 CYS HA . . 5.500 5.532 5.532 5.532 0.032 1 0 "[ ]" 1
244 1 14 PHE HZ 1 84 CYS HB2 . . 5.410 4.422 4.422 4.422 . 0 0 "[ ]" 1
245 1 14 PHE HZ 1 92 MET ME . . 6.530 3.872 3.872 3.872 . 0 0 "[ ]" 1
246 1 14 PHE HZ 1 92 MET HG2 . . 5.500 5.375 5.375 5.375 . 0 0 "[ ]" 1
247 1 15 LEU H 1 15 LEU HB2 . . 3.920 2.724 2.724 2.724 . 0 0 "[ ]" 1
248 1 15 LEU H 1 15 LEU HG . . 5.500 3.621 3.621 3.621 . 0 0 "[ ]" 1
249 1 15 LEU HA 1 15 LEU MD2 . . 3.800 2.169 2.169 2.169 . 0 0 "[ ]" 1
250 1 16 PRO HA 1 16 PRO HB3 . . 2.900 2.350 2.350 2.350 . 0 0 "[ ]" 1
251 1 16 PRO HA 1 16 PRO HG2 . . 3.860 3.833 3.833 3.833 . 0 0 "[ ]" 1
252 1 16 PRO HA 1 16 PRO HG3 . . 4.290 4.137 4.137 4.137 . 0 0 "[ ]" 1
253 1 16 PRO HA 1 17 GLY H . . 3.450 2.327 2.327 2.327 . 0 0 "[ ]" 1
254 1 16 PRO HA 1 18 ASP H . . 5.040 3.843 3.843 3.843 . 0 0 "[ ]" 1
255 1 16 PRO HB2 1 17 GLY H . . 4.600 2.845 2.845 2.845 . 0 0 "[ ]" 1
256 1 16 PRO HB2 1 18 ASP H . . 4.510 2.391 2.391 2.391 . 0 0 "[ ]" 1
257 1 16 PRO HB2 1 19 PHE HA . . 5.470 4.419 4.419 4.419 . 0 0 "[ ]" 1
258 1 16 PRO HB2 1 19 PHE HB2 . . 5.500 4.079 4.079 4.079 . 0 0 "[ ]" 1
259 1 16 PRO HB2 1 19 PHE HB3 . . 5.500 2.654 2.654 2.654 . 0 0 "[ ]" 1
260 1 16 PRO HB2 1 19 PHE HD1 . . 5.500 4.277 4.277 4.277 . 0 0 "[ ]" 1
261 1 16 PRO HB3 1 17 GLY H . . 4.790 3.677 3.677 3.677 . 0 0 "[ ]" 1
262 1 16 PRO HB3 1 19 PHE HB3 . . 5.500 3.541 3.541 3.541 . 0 0 "[ ]" 1
263 1 16 PRO HB3 1 19 PHE HD1 . . 5.500 5.550 5.550 5.550 0.050 1 0 "[ ]" 1
264 1 16 PRO HG2 1 17 GLY H . . 5.500 4.522 4.522 4.522 . 0 0 "[ ]" 1
265 1 16 PRO HG2 1 19 PHE HB2 . . 5.500 4.046 4.046 4.046 . 0 0 "[ ]" 1
266 1 16 PRO HG2 1 19 PHE HB3 . . 5.500 2.653 2.653 2.653 . 0 0 "[ ]" 1
267 1 16 PRO HG2 1 19 PHE HD1 . . 4.820 3.191 3.191 3.191 . 0 0 "[ ]" 1
268 1 16 PRO HG2 1 19 PHE HE1 . . 5.500 4.375 4.375 4.375 . 0 0 "[ ]" 1
269 1 16 PRO HG3 1 19 PHE HB2 . . 5.500 3.166 3.166 3.166 . 0 0 "[ ]" 1
270 1 16 PRO HG3 1 19 PHE HB3 . . 5.500 2.468 2.468 2.468 . 0 0 "[ ]" 1
271 1 16 PRO HG3 1 19 PHE HD1 . . 5.500 4.100 4.100 4.100 . 0 0 "[ ]" 1
272 1 17 GLY H 1 18 ASP H . . 4.070 2.174 2.174 2.174 . 0 0 "[ ]" 1
273 1 17 GLY HA2 1 18 ASP H . . 4.420 3.446 3.446 3.446 . 0 0 "[ ]" 1
274 1 17 GLY HA2 1 19 PHE HD1 . . 5.500 5.730 5.730 5.730 0.230 1 0 "[ ]" 1
275 1 17 GLY HA3 1 18 ASP H . . 4.820 3.145 3.145 3.145 . 0 0 "[ ]" 1
276 1 17 GLY HA3 1 18 ASP HB2 . . 4.380 4.704 4.704 4.704 0.324 1 0 "[ ]" 1
277 1 18 ASP H 1 18 ASP HB2 . . 4.350 3.402 3.402 3.402 . 0 0 "[ ]" 1
278 1 18 ASP H 1 19 PHE H . . 5.310 4.230 4.230 4.230 . 0 0 "[ ]" 1
279 1 18 ASP H 1 19 PHE HD1 . . 5.500 5.002 5.002 5.002 . 0 0 "[ ]" 1
280 1 18 ASP HA 1 19 PHE H . . 3.240 2.243 2.243 2.243 . 0 0 "[ ]" 1
281 1 18 ASP HA 1 19 PHE HD1 . . 5.500 4.100 4.100 4.100 . 0 0 "[ ]" 1
282 1 18 ASP HA 1 95 LYS H . . 3.950 2.603 2.603 2.603 . 0 0 "[ ]" 1
283 1 18 ASP HA 1 95 LYS HB2 . . 5.500 4.349 4.349 4.349 . 0 0 "[ ]" 1
284 1 18 ASP HA 1 95 LYS HB3 . . 5.500 2.703 2.703 2.703 . 0 0 "[ ]" 1
285 1 18 ASP HB2 1 19 PHE H . . 5.160 4.288 4.288 4.288 . 0 0 "[ ]" 1
286 1 18 ASP HB2 1 95 LYS HA . . 5.500 5.931 5.931 5.931 0.431 1 0 "[ ]" 1
287 1 18 ASP HB3 1 19 PHE H . . 4.970 4.344 4.344 4.344 . 0 0 "[ ]" 1
288 1 19 PHE H 1 19 PHE HD1 . . 4.820 2.851 2.851 2.851 . 0 0 "[ ]" 1
289 1 19 PHE H 1 19 PHE HE1 . . 5.500 5.193 5.193 5.193 . 0 0 "[ ]" 1
290 1 19 PHE H 1 20 SER H . . 5.280 4.429 4.429 4.429 . 0 0 "[ ]" 1
291 1 19 PHE H 1 96 VAL HA . . 3.670 2.828 2.828 2.828 . 0 0 "[ ]" 1
292 1 19 PHE H 1 96 VAL HB . . 5.500 4.778 4.778 4.778 . 0 0 "[ ]" 1
293 1 19 PHE H 1 96 VAL MG2 . . 6.530 4.326 4.326 4.326 . 0 0 "[ ]" 1
294 1 19 PHE HA 1 20 SER H . . 3.550 2.589 2.589 2.589 . 0 0 "[ ]" 1
295 1 19 PHE HB2 1 19 PHE HE1 . . 5.500 5.469 5.469 5.469 . 0 0 "[ ]" 1
296 1 19 PHE HB2 1 20 SER H . . 4.170 2.571 2.571 2.571 . 0 0 "[ ]" 1
297 1 19 PHE HB3 1 19 PHE HE1 . . 5.500 4.736 4.736 4.736 . 0 0 "[ ]" 1
298 1 19 PHE HB3 1 20 SER H . . 4.450 3.922 3.922 3.922 . 0 0 "[ ]" 1
299 1 19 PHE HD1 1 20 SER H . . 5.500 4.915 4.915 4.915 . 0 0 "[ ]" 1
300 1 19 PHE HD1 1 21 VAL MG1 . . 5.380 4.564 4.564 4.564 . 0 0 "[ ]" 1
301 1 19 PHE HD1 1 82 PHE HZ . . 5.500 3.536 3.536 3.536 . 0 0 "[ ]" 1
302 1 19 PHE HD1 1 96 VAL HA . . 5.500 2.922 2.922 2.922 . 0 0 "[ ]" 1
303 1 19 PHE HD1 1 96 VAL HB . . 5.500 3.313 3.313 3.313 . 0 0 "[ ]" 1
304 1 19 PHE HD1 1 96 VAL MG2 . . 5.410 3.322 3.322 3.322 . 0 0 "[ ]" 1
305 1 19 PHE HE1 1 21 VAL MG1 . . 4.790 4.017 4.017 4.017 . 0 0 "[ ]" 1
306 1 19 PHE HE1 1 27 ILE HA . . 5.500 5.564 5.564 5.564 0.064 1 0 "[ ]" 1
307 1 19 PHE HE1 1 27 ILE MD . . 5.600 4.677 4.677 4.677 . 0 0 "[ ]" 1
308 1 19 PHE HE1 1 82 PHE HE2 . . 5.500 3.965 3.965 3.965 . 0 0 "[ ]" 1
309 1 19 PHE HE1 1 82 PHE HZ . . 5.500 2.876 2.876 2.876 . 0 0 "[ ]" 1
310 1 19 PHE HE1 1 96 VAL HB . . 5.280 2.494 2.494 2.494 . 0 0 "[ ]" 1
311 1 19 PHE HE1 1 96 VAL MG2 . . 4.920 2.801 2.801 2.801 . 0 0 "[ ]" 1
312 1 19 PHE HZ 1 27 ILE MD . . 5.440 3.868 3.868 3.868 . 0 0 "[ ]" 1
313 1 19 PHE HZ 1 82 PHE HE2 . . 5.500 5.582 5.582 5.582 0.082 1 0 "[ ]" 1
314 1 19 PHE HZ 1 96 VAL HB . . 5.500 4.251 4.251 4.251 . 0 0 "[ ]" 1
315 1 19 PHE HZ 1 96 VAL MG1 . . 6.530 4.886 4.886 4.886 . 0 0 "[ ]" 1
316 1 19 PHE HZ 1 96 VAL MG2 . . 6.400 3.090 3.090 3.090 . 0 0 "[ ]" 1
317 1 20 SER HA 1 21 VAL H . . 3.790 2.345 2.345 2.345 . 0 0 "[ ]" 1
318 1 20 SER HA 1 21 VAL HA . . 5.340 4.490 4.490 4.490 . 0 0 "[ ]" 1
319 1 20 SER HA 1 21 VAL MG1 . . 6.120 3.310 3.310 3.310 . 0 0 "[ ]" 1
320 1 20 SER HA 1 21 VAL MG2 . . 5.600 3.674 3.674 3.674 . 0 0 "[ ]" 1
321 1 20 SER HA 1 96 VAL HA . . 4.420 3.742 3.742 3.742 . 0 0 "[ ]" 1
322 1 20 SER HA 1 96 VAL MG2 . . 4.200 3.293 3.293 3.293 . 0 0 "[ ]" 1
323 1 20 SER HA 1 97 THR H . . 3.360 2.262 2.262 2.262 . 0 0 "[ ]" 1
324 1 20 SER HA 1 97 THR HB . . 4.570 2.970 2.970 2.970 . 0 0 "[ ]" 1
325 1 20 SER HA 1 97 THR MG . . 5.850 4.206 4.206 4.206 . 0 0 "[ ]" 1
326 1 20 SER QB 1 21 VAL H . . 5.350 2.577 2.577 2.577 . 0 0 "[ ]" 1
327 1 20 SER QB 1 99 ASN HD21 . . 6.380 4.763 4.763 4.763 . 0 0 "[ ]" 1
328 1 20 SER QB 1 99 ASN HD22 . . 6.380 5.716 5.716 5.716 . 0 0 "[ ]" 1
329 1 21 VAL H 1 22 ALA H . . 5.500 4.454 4.454 4.454 . 0 0 "[ ]" 1
330 1 21 VAL H 1 98 VAL HA . . 3.790 2.848 2.848 2.848 . 0 0 "[ ]" 1
331 1 21 VAL HA 1 21 VAL HB . . 2.930 2.418 2.418 2.418 . 0 0 "[ ]" 1
332 1 21 VAL HA 1 21 VAL MG1 . . 3.610 2.419 2.419 2.419 . 0 0 "[ ]" 1
333 1 21 VAL HA 1 22 ALA H . . 3.210 2.428 2.428 2.428 . 0 0 "[ ]" 1
334 1 21 VAL HA 1 22 ALA MB . . 6.530 4.076 4.076 4.076 . 0 0 "[ ]" 1
335 1 21 VAL HB 1 22 ALA H . . 3.300 2.457 2.457 2.457 . 0 0 "[ ]" 1
336 1 21 VAL HB 1 96 VAL MG2 . . 6.530 4.177 4.177 4.177 . 0 0 "[ ]" 1
337 1 21 VAL MG1 1 22 ALA H . . 6.500 3.816 3.816 3.816 . 0 0 "[ ]" 1
338 1 21 VAL MG1 1 27 ILE MG . . 7.560 4.017 4.017 4.017 . 0 0 "[ ]" 1
339 1 21 VAL MG1 1 96 VAL MG2 . . 7.560 2.036 2.036 2.036 . 0 0 "[ ]" 1
340 1 21 VAL MG1 1 98 VAL HA . . 5.410 4.506 4.506 4.506 . 0 0 "[ ]" 1
341 1 21 VAL MG2 1 22 ALA H . . 6.250 3.308 3.308 3.308 . 0 0 "[ ]" 1
342 1 21 VAL MG2 1 25 GLU H . . 6.530 4.379 4.379 4.379 . 0 0 "[ ]" 1
343 1 21 VAL MG2 1 74 LEU MD1 . . 7.560 4.879 4.879 4.879 . 0 0 "[ ]" 1
344 1 21 VAL MG2 1 96 VAL MG2 . . 6.870 2.303 2.303 2.303 . 0 0 "[ ]" 1
345 1 21 VAL MG2 1 98 VAL HA . . 3.800 2.303 2.303 2.303 . 0 0 "[ ]" 1
346 1 21 VAL MG2 1 98 VAL HB . . 6.090 4.173 4.173 4.173 . 0 0 "[ ]" 1
347 1 22 ALA H 1 23 SER H . . 5.500 4.616 4.616 4.616 . 0 0 "[ ]" 1
348 1 22 ALA HA 1 23 SER H . . 3.240 2.385 2.385 2.385 . 0 0 "[ ]" 1
349 1 22 ALA HA 1 98 VAL QG . . 6.530 2.969 2.969 2.969 . 0 0 "[ ]" 1
350 1 22 ALA HA 1 99 ASN H . . 4.380 3.256 3.256 3.256 . 0 0 "[ ]" 1
351 1 22 ALA MB 1 23 SER H . . 5.440 2.497 2.497 2.497 . 0 0 "[ ]" 1
352 1 22 ALA MB 1 25 GLU H . . 6.530 4.195 4.195 4.195 . 0 0 "[ ]" 1
353 1 22 ALA MB 1 25 GLU HB3 . . 4.540 4.493 4.493 4.493 . 0 0 "[ ]" 1
354 1 23 SER H 1 23 SER HB3 . . 4.010 2.697 2.697 2.697 . 0 0 "[ ]" 1
355 1 23 SER H 1 24 GLY H . . 5.500 4.625 4.625 4.625 . 0 0 "[ ]" 1
356 1 23 SER H 1 25 GLU H . . 5.500 4.829 4.829 4.829 . 0 0 "[ ]" 1
357 1 23 SER H 1 98 VAL HA . . 5.500 5.120 5.120 5.120 . 0 0 "[ ]" 1
358 1 23 SER H 1 98 VAL QG . . 5.970 2.841 2.841 2.841 . 0 0 "[ ]" 1
359 1 23 SER H 1 99 ASN H . . 5.070 4.962 4.962 4.962 . 0 0 "[ ]" 1
360 1 23 SER HA 1 24 GLY H . . 3.450 2.187 2.187 2.187 . 0 0 "[ ]" 1
361 1 23 SER HA 1 25 GLU H . . 5.040 3.396 3.396 3.396 . 0 0 "[ ]" 1
362 1 23 SER HA 1 74 LEU HB3 . . 5.500 4.776 4.776 4.776 . 0 0 "[ ]" 1
363 1 23 SER HA 1 75 THR HA . . 3.480 2.426 2.426 2.426 . 0 0 "[ ]" 1
364 1 23 SER HA 1 75 THR MG . . 6.530 3.450 3.450 3.450 . 0 0 "[ ]" 1
365 1 23 SER HA 1 98 VAL QG . . 5.010 2.430 2.430 2.430 . 0 0 "[ ]" 1
366 1 23 SER HB2 1 24 GLY H . . 5.500 4.364 4.364 4.364 . 0 0 "[ ]" 1
367 1 23 SER HB2 1 75 THR HA . . 5.500 3.647 3.647 3.647 . 0 0 "[ ]" 1
368 1 23 SER HB2 1 77 LYS HD2 . . 5.500 5.701 5.701 5.701 0.201 1 0 "[ ]" 1
369 1 23 SER HB2 1 77 LYS HG2 . . 5.500 3.368 3.368 3.368 . 0 0 "[ ]" 1
370 1 23 SER HB2 1 98 VAL QG . . 6.530 2.430 2.430 2.430 . 0 0 "[ ]" 1
371 1 23 SER HB3 1 24 GLY H . . 5.500 4.044 4.044 4.044 . 0 0 "[ ]" 1
372 1 23 SER HB3 1 75 THR HA . . 5.500 4.199 4.199 4.199 . 0 0 "[ ]" 1
373 1 24 GLY H 1 25 GLU H . . 4.260 2.442 2.442 2.442 . 0 0 "[ ]" 1
374 1 24 GLY H 1 73 THR MG . . 6.530 3.561 3.561 3.561 . 0 0 "[ ]" 1
375 1 24 GLY H 1 75 THR HA . . 4.010 2.788 2.788 2.788 . 0 0 "[ ]" 1
376 1 24 GLY H 1 75 THR MG . . 6.530 2.346 2.346 2.346 . 0 0 "[ ]" 1
377 1 24 GLY H 1 98 VAL QG . . 6.530 3.898 3.898 3.898 . 0 0 "[ ]" 1
378 1 24 GLY HA2 1 25 GLU H . . 5.500 3.306 3.306 3.306 . 0 0 "[ ]" 1
379 1 24 GLY HA2 1 73 THR HB . . 5.500 4.991 4.991 4.991 . 0 0 "[ ]" 1
380 1 24 GLY HA2 1 73 THR MG . . 3.950 2.397 2.397 2.397 . 0 0 "[ ]" 1
381 1 24 GLY HA2 1 75 THR MG . . 6.160 2.628 2.628 2.628 . 0 0 "[ ]" 1
382 1 24 GLY HA3 1 25 GLU H . . 4.480 3.360 3.360 3.360 . 0 0 "[ ]" 1
383 1 24 GLY HA3 1 73 THR MG . . 4.700 3.639 3.639 3.639 . 0 0 "[ ]" 1
384 1 24 GLY HA3 1 75 THR HA . . 5.500 5.411 5.411 5.411 . 0 0 "[ ]" 1
385 1 24 GLY HA3 1 75 THR MG . . 5.810 3.483 3.483 3.483 . 0 0 "[ ]" 1
386 1 25 GLU H 1 25 GLU HB2 . . 4.010 2.385 2.385 2.385 . 0 0 "[ ]" 1
387 1 25 GLU H 1 25 GLU HB3 . . 3.670 3.601 3.601 3.601 . 0 0 "[ ]" 1
388 1 25 GLU H 1 25 GLU HG2 . . 5.500 2.408 2.408 2.408 . 0 0 "[ ]" 1
389 1 25 GLU H 1 26 GLU H . . 5.500 4.589 4.589 4.589 . 0 0 "[ ]" 1
390 1 25 GLU H 1 73 THR MG . . 6.530 3.729 3.729 3.729 . 0 0 "[ ]" 1
391 1 25 GLU H 1 98 VAL QG . . 6.530 4.459 4.459 4.459 . 0 0 "[ ]" 1
392 1 25 GLU HA 1 25 GLU HB3 . . 3.110 2.496 2.496 2.496 . 0 0 "[ ]" 1
393 1 25 GLU HA 1 25 GLU HG2 . . 4.200 3.117 3.117 3.117 . 0 0 "[ ]" 1
394 1 25 GLU HA 1 26 GLU H . . 3.270 2.515 2.515 2.515 . 0 0 "[ ]" 1
395 1 25 GLU HB2 1 26 GLU H . . 3.830 3.511 3.511 3.511 . 0 0 "[ ]" 1
396 1 25 GLU HB3 1 26 GLU H . . 3.980 2.386 2.386 2.386 . 0 0 "[ ]" 1
397 1 26 GLU H 1 26 GLU HG2 . . 4.480 4.409 4.409 4.409 . 0 0 "[ ]" 1
398 1 26 GLU H 1 26 GLU HG3 . . 4.850 4.739 4.739 4.739 . 0 0 "[ ]" 1
399 1 26 GLU HA 1 26 GLU HG2 . . 3.520 3.152 3.152 3.152 . 0 0 "[ ]" 1
400 1 26 GLU HA 1 27 ILE H . . 3.300 2.119 2.119 2.119 . 0 0 "[ ]" 1
401 1 26 GLU HG2 1 27 ILE H . . 5.500 3.116 3.116 3.116 . 0 0 "[ ]" 1
402 1 26 GLU HG2 1 71 LYS HA . . 5.500 4.318 4.318 4.318 . 0 0 "[ ]" 1
403 1 26 GLU HG3 1 27 ILE H . . 5.500 3.102 3.102 3.102 . 0 0 "[ ]" 1
404 1 27 ILE H 1 27 ILE HB . . 3.980 2.645 2.645 2.645 . 0 0 "[ ]" 1
405 1 27 ILE H 1 28 VAL H . . 5.440 4.478 4.478 4.478 . 0 0 "[ ]" 1
406 1 27 ILE H 1 72 VAL H . . 4.760 3.125 3.125 3.125 . 0 0 "[ ]" 1
407 1 27 ILE H 1 73 THR HA . . 4.380 3.538 3.538 3.538 . 0 0 "[ ]" 1
408 1 27 ILE HA 1 27 ILE MG . . 3.640 2.196 2.196 2.196 . 0 0 "[ ]" 1
409 1 27 ILE HA 1 28 VAL H . . 2.930 2.164 2.164 2.164 . 0 0 "[ ]" 1
410 1 27 ILE HA 1 28 VAL HB . . 5.500 4.557 4.557 4.557 . 0 0 "[ ]" 1
411 1 27 ILE HA 1 28 VAL MG2 . . 6.530 3.743 3.743 3.743 . 0 0 "[ ]" 1
412 1 27 ILE HB 1 28 VAL H . . 5.440 4.111 4.111 4.111 . 0 0 "[ ]" 1
413 1 27 ILE HB 1 29 PHE HD1 . . 5.500 4.822 4.822 4.822 . 0 0 "[ ]" 1
414 1 27 ILE HB 1 29 PHE HE1 . . 5.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
415 1 27 ILE MD 1 29 PHE HZ . . 5.630 3.525 3.525 3.525 . 0 0 "[ ]" 1
416 1 27 ILE MD 1 41 PHE HZ . . 6.530 3.238 3.238 3.238 . 0 0 "[ ]" 1
417 1 27 ILE MD 1 74 LEU MD1 . . 6.720 2.776 2.776 2.776 . 0 0 "[ ]" 1
418 1 27 ILE MD 1 74 LEU MD2 . . 7.560 2.146 2.146 2.146 . 0 0 "[ ]" 1
419 1 27 ILE MD 1 75 THR H . . 6.530 5.331 5.331 5.331 . 0 0 "[ ]" 1
420 1 27 ILE MD 1 96 VAL MG2 . . 7.560 2.743 2.743 2.743 . 0 0 "[ ]" 1
421 1 27 ILE QG 1 28 VAL H . . 6.380 4.191 4.191 4.191 . 0 0 "[ ]" 1
422 1 27 ILE QG 1 73 THR HA . . 6.380 5.703 5.703 5.703 . 0 0 "[ ]" 1
423 1 27 ILE QG 1 96 VAL MG2 . . 7.400 2.398 2.398 2.398 . 0 0 "[ ]" 1
424 1 27 ILE MG 1 28 VAL H . . 5.660 2.502 2.502 2.502 . 0 0 "[ ]" 1
425 1 27 ILE MG 1 28 VAL HA . . 6.530 3.778 3.778 3.778 . 0 0 "[ ]" 1
426 1 27 ILE MG 1 29 PHE HZ . . 4.260 3.503 3.503 3.503 . 0 0 "[ ]" 1
427 1 27 ILE MG 1 72 VAL MG1 . . 7.560 3.506 3.506 3.506 . 0 0 "[ ]" 1
428 1 28 VAL H 1 28 VAL HB . . 3.700 2.532 2.532 2.532 . 0 0 "[ ]" 1
429 1 28 VAL H 1 29 PHE H . . 5.500 4.316 4.316 4.316 . 0 0 "[ ]" 1
430 1 28 VAL HA 1 28 VAL MG1 . . 3.740 2.416 2.416 2.416 . 0 0 "[ ]" 1
431 1 28 VAL HA 1 29 PHE H . . 3.020 2.168 2.168 2.168 . 0 0 "[ ]" 1
432 1 28 VAL HA 1 71 LYS HA . . 3.270 2.468 2.468 2.468 . 0 0 "[ ]" 1
433 1 28 VAL HA 1 71 LYS HG2 . . 5.500 2.475 2.475 2.475 . 0 0 "[ ]" 1
434 1 28 VAL HA 1 71 LYS HG3 . . 5.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
435 1 28 VAL HA 1 72 VAL H . . 5.040 3.707 3.707 3.707 . 0 0 "[ ]" 1
436 1 28 VAL HB 1 29 PHE H . . 5.500 4.431 4.431 4.431 . 0 0 "[ ]" 1
437 1 28 VAL MG1 1 29 PHE H . . 6.060 3.051 3.051 3.051 . 0 0 "[ ]" 1
438 1 28 VAL MG1 1 30 LYS H . . 5.540 4.049 4.049 4.049 . 0 0 "[ ]" 1
439 1 28 VAL MG1 1 30 LYS HA . . 5.690 4.268 4.268 4.268 . 0 0 "[ ]" 1
440 1 28 VAL MG1 1 69 THR HA . . 5.410 4.415 4.415 4.415 . 0 0 "[ ]" 1
441 1 28 VAL MG1 1 69 THR MG . . 5.850 3.247 3.247 3.247 . 0 0 "[ ]" 1
442 1 28 VAL MG1 1 71 LYS HA . . 5.410 3.884 3.884 3.884 . 0 0 "[ ]" 1
443 1 28 VAL MG1 1 71 LYS HE2 . . 5.570 4.433 4.433 4.433 . 0 0 "[ ]" 1
444 1 28 VAL MG2 1 29 PHE H . . 6.530 4.093 4.093 4.093 . 0 0 "[ ]" 1
445 1 28 VAL MG2 1 71 LYS HA . . 5.630 3.490 3.490 3.490 . 0 0 "[ ]" 1
446 1 29 PHE H 1 29 PHE HB2 . . 4.010 2.743 2.743 2.743 . 0 0 "[ ]" 1
447 1 29 PHE H 1 29 PHE HD1 . . 5.070 4.253 4.253 4.253 . 0 0 "[ ]" 1
448 1 29 PHE H 1 29 PHE HE1 . . 5.500 5.526 5.526 5.526 0.026 1 0 "[ ]" 1
449 1 29 PHE H 1 70 TYR H . . 4.910 3.207 3.207 3.207 . 0 0 "[ ]" 1
450 1 29 PHE H 1 71 LYS HA . . 4.200 3.000 3.000 3.000 . 0 0 "[ ]" 1
451 1 29 PHE HA 1 29 PHE HD1 . . 4.630 2.950 2.950 2.950 . 0 0 "[ ]" 1
452 1 29 PHE HA 1 29 PHE HE1 . . 5.500 5.215 5.215 5.215 . 0 0 "[ ]" 1
453 1 29 PHE HA 1 30 LYS H . . 3.140 2.229 2.229 2.229 . 0 0 "[ ]" 1
454 1 29 PHE HB2 1 29 PHE HE1 . . 5.500 5.465 5.465 5.465 . 0 0 "[ ]" 1
455 1 29 PHE HB2 1 30 LYS H . . 5.070 4.158 4.158 4.158 . 0 0 "[ ]" 1
456 1 29 PHE HB2 1 39 VAL MG2 . . 5.970 3.560 3.560 3.560 . 0 0 "[ ]" 1
457 1 29 PHE HB2 1 63 LEU MD1 . . 6.530 3.432 3.432 3.432 . 0 0 "[ ]" 1
458 1 29 PHE HB2 1 70 TYR H . . 5.500 3.219 3.219 3.219 . 0 0 "[ ]" 1
459 1 29 PHE HB2 1 70 TYR HB2 . . 5.340 4.110 4.110 4.110 . 0 0 "[ ]" 1
460 1 29 PHE HB2 1 70 TYR HB3 . . 5.280 2.413 2.413 2.413 . 0 0 "[ ]" 1
461 1 29 PHE HB3 1 29 PHE HE1 . . 5.500 4.727 4.727 4.727 . 0 0 "[ ]" 1
462 1 29 PHE HB3 1 30 LYS H . . 4.660 3.628 3.628 3.628 . 0 0 "[ ]" 1
463 1 29 PHE HB3 1 39 VAL MG2 . . 5.970 2.669 2.669 2.669 . 0 0 "[ ]" 1
464 1 29 PHE HB3 1 70 TYR HB2 . . 5.500 5.719 5.719 5.719 0.219 1 0 "[ ]" 1
465 1 29 PHE HB3 1 70 TYR HB3 . . 3.670 4.074 4.074 4.074 0.404 1 0 "[ ]" 1
466 1 29 PHE HD1 1 30 LYS H . . 5.500 4.962 4.962 4.962 . 0 0 "[ ]" 1
467 1 29 PHE HD1 1 39 VAL MG2 . . 5.570 2.674 2.674 2.674 . 0 0 "[ ]" 1
468 1 29 PHE HD1 1 70 TYR HB3 . . 5.500 5.877 5.877 5.877 0.377 1 0 "[ ]" 1
469 1 29 PHE HD1 1 70 TYR HD2 . . 5.500 5.319 5.319 5.319 . 0 0 "[ ]" 1
470 1 29 PHE HD1 1 72 VAL MG1 . . 6.090 5.127 5.127 5.127 . 0 0 "[ ]" 1
471 1 29 PHE HE1 1 39 VAL MG1 . . 5.850 3.166 3.166 3.166 . 0 0 "[ ]" 1
472 1 29 PHE HE1 1 39 VAL MG2 . . 6.530 3.485 3.485 3.485 . 0 0 "[ ]" 1
473 1 29 PHE HE1 1 72 VAL MG1 . . 4.540 3.808 3.808 3.808 . 0 0 "[ ]" 1
474 1 29 PHE HZ 1 39 VAL MG1 . . 4.920 2.961 2.961 2.961 . 0 0 "[ ]" 1
475 1 29 PHE HZ 1 39 VAL MG2 . . 6.530 4.371 4.371 4.371 . 0 0 "[ ]" 1
476 1 29 PHE HZ 1 41 PHE HZ . . 5.500 2.718 2.718 2.718 . 0 0 "[ ]" 1
477 1 29 PHE HZ 1 72 VAL MG1 . . 6.000 2.018 2.018 2.018 . 0 0 "[ ]" 1
478 1 29 PHE HZ 1 72 VAL MG2 . . 6.530 4.142 4.142 4.142 . 0 0 "[ ]" 1
479 1 30 LYS H 1 30 LYS QB . . 3.890 2.915 2.915 2.915 . 0 0 "[ ]" 1
480 1 30 LYS HA 1 30 LYS HD3 . . 5.500 4.961 4.961 4.961 . 0 0 "[ ]" 1
481 1 30 LYS HA 1 30 LYS QG . . 3.950 3.320 3.320 3.320 . 0 0 "[ ]" 1
482 1 30 LYS HA 1 31 ASN H . . 3.140 2.301 2.301 2.301 . 0 0 "[ ]" 1
483 1 30 LYS HA 1 63 LEU MD1 . . 6.530 3.001 3.001 3.001 . 0 0 "[ ]" 1
484 1 30 LYS HA 1 69 THR HA . . 3.170 2.387 2.387 2.387 . 0 0 "[ ]" 1
485 1 30 LYS HA 1 69 THR HB . . 5.500 3.801 3.801 3.801 . 0 0 "[ ]" 1
486 1 30 LYS QB 1 67 GLY HA2 . . 5.500 4.900 4.900 4.900 . 0 0 "[ ]" 1
487 1 30 LYS QG 1 31 ASN HA . . 5.500 4.250 4.250 4.250 . 0 0 "[ ]" 1
488 1 30 LYS QG 1 32 ASN QB . . 5.500 4.100 4.100 4.100 . 0 0 "[ ]" 1
489 1 30 LYS QG 1 67 GLY HA2 . . 5.500 5.535 5.535 5.535 0.035 1 0 "[ ]" 1
490 1 31 ASN H 1 31 ASN HB2 . . 3.420 2.058 2.058 2.058 . 0 0 "[ ]" 1
491 1 31 ASN H 1 31 ASN HB3 . . 3.950 3.352 3.352 3.352 . 0 0 "[ ]" 1
492 1 31 ASN H 1 68 GLU H . . 5.410 4.493 4.493 4.493 . 0 0 "[ ]" 1
493 1 31 ASN HA 1 32 ASN H . . 4.010 2.350 2.350 2.350 . 0 0 "[ ]" 1
494 1 31 ASN HA 1 37 HIS HD2 . . 5.500 3.818 3.818 3.818 . 0 0 "[ ]" 1
495 1 31 ASN HB2 1 32 ASN H . . 5.130 4.278 4.278 4.278 . 0 0 "[ ]" 1
496 1 31 ASN HB2 1 63 LEU MD1 . . 6.530 3.752 3.752 3.752 . 0 0 "[ ]" 1
497 1 31 ASN HB2 1 66 PRO HA . . 5.500 3.944 3.944 3.944 . 0 0 "[ ]" 1
498 1 31 ASN HB2 1 67 GLY H . . 5.500 5.173 5.173 5.173 . 0 0 "[ ]" 1
499 1 31 ASN HB2 1 68 GLU H . . 5.500 3.329 3.329 3.329 . 0 0 "[ ]" 1
500 1 31 ASN HB2 1 68 GLU HB2 . . 5.340 3.660 3.660 3.660 . 0 0 "[ ]" 1
501 1 31 ASN HB3 1 63 LEU HB3 . . 5.500 4.861 4.861 4.861 . 0 0 "[ ]" 1
502 1 31 ASN HB3 1 66 PRO HA . . 5.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
503 1 31 ASN HB3 1 67 GLY H . . 5.500 5.421 5.421 5.421 . 0 0 "[ ]" 1
504 1 31 ASN HB3 1 68 GLU H . . 5.500 4.365 4.365 4.365 . 0 0 "[ ]" 1
505 1 31 ASN HB3 1 68 GLU HB2 . . 5.500 4.949 4.949 4.949 . 0 0 "[ ]" 1
506 1 31 ASN HD21 1 35 PHE HA . . 5.500 5.099 5.099 5.099 . 0 0 "[ ]" 1
507 1 31 ASN HD21 1 35 PHE QD . . 5.500 3.216 3.216 3.216 . 0 0 "[ ]" 1
508 1 31 ASN HD21 1 37 HIS H . . 5.500 4.816 4.816 4.816 . 0 0 "[ ]" 1
509 1 31 ASN HD21 1 65 ALA H . . 5.500 3.601 3.601 3.601 . 0 0 "[ ]" 1
510 1 31 ASN HD22 1 63 LEU HB2 . . 5.500 2.508 2.508 2.508 . 0 0 "[ ]" 1
511 1 31 ASN HD22 1 65 ALA H . . 5.500 4.148 4.148 4.148 . 0 0 "[ ]" 1
512 1 31 ASN HD22 1 68 GLU H . . 5.500 5.018 5.018 5.018 . 0 0 "[ ]" 1
513 1 31 ASN HD22 1 68 GLU HB2 . . 5.410 3.841 3.841 3.841 . 0 0 "[ ]" 1
514 1 32 ASN HA 1 33 ALA H . . 5.190 3.608 3.608 3.608 . 0 0 "[ ]" 1
515 1 32 ASN HA 1 33 ALA MB . . 6.530 4.314 4.314 4.314 . 0 0 "[ ]" 1
516 1 32 ASN HA 1 35 PHE HE1 . . 5.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
517 1 32 ASN QB 1 33 ALA H . . 3.920 2.706 2.706 2.706 . 0 0 "[ ]" 1
518 1 32 ASN HD21 1 33 ALA MB . . 6.530 2.502 2.502 2.502 . 0 0 "[ ]" 1
519 1 32 ASN HD22 1 33 ALA MB . . 6.530 2.804 2.804 2.804 . 0 0 "[ ]" 1
520 1 33 ALA H 1 35 PHE QD . . 5.500 4.261 4.261 4.261 . 0 0 "[ ]" 1
521 1 33 ALA HA 1 34 GLY H . . 4.910 2.548 2.548 2.548 . 0 0 "[ ]" 1
522 1 33 ALA HA 1 35 PHE QD . . 5.500 4.415 4.415 4.415 . 0 0 "[ ]" 1
523 1 33 ALA MB 1 34 GLY H . . 6.530 2.419 2.419 2.419 . 0 0 "[ ]" 1
524 1 34 GLY HA2 1 35 PHE H . . 5.500 2.962 2.962 2.962 . 0 0 "[ ]" 1
525 1 34 GLY HA2 1 35 PHE HA . . 5.380 4.838 4.838 4.838 . 0 0 "[ ]" 1
526 1 34 GLY HA2 1 37 HIS HE1 . . 5.500 5.385 5.385 5.385 . 0 0 "[ ]" 1
527 1 34 GLY HA2 1 37 HIS HE2 . . 5.500 4.290 4.290 4.290 . 0 0 "[ ]" 1
528 1 34 GLY HA3 1 35 PHE H . . 5.310 3.552 3.552 3.552 . 0 0 "[ ]" 1
529 1 34 GLY HA3 1 37 HIS HE1 . . 5.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
530 1 35 PHE H 1 35 PHE QD . . 5.500 2.875 2.875 2.875 . 0 0 "[ ]" 1
531 1 35 PHE H 1 37 HIS HD2 . . 5.500 4.696 4.696 4.696 . 0 0 "[ ]" 1
532 1 35 PHE HA 1 37 HIS HD2 . . 4.510 2.703 2.703 2.703 . 0 0 "[ ]" 1
533 1 35 PHE HB2 1 37 HIS HD2 . . 5.280 5.409 5.409 5.409 0.129 1 0 "[ ]" 1
534 1 35 PHE HB3 1 37 HIS HD2 . . 5.380 4.423 4.423 4.423 . 0 0 "[ ]" 1
535 1 35 PHE HB3 1 64 ASN HA . . 5.500 2.614 2.614 2.614 . 0 0 "[ ]" 1
536 1 35 PHE QD 1 36 PRO HD3 . . 5.500 5.614 5.614 5.614 0.114 1 0 "[ ]" 1
537 1 35 PHE QD 1 37 HIS HD2 . . 5.500 2.320 2.320 2.320 . 0 0 "[ ]" 1
538 1 35 PHE HE1 1 66 PRO HA . . 5.500 3.020 3.020 3.020 . 0 0 "[ ]" 1
539 1 35 PHE HE1 1 66 PRO HD3 . . 5.500 5.520 5.520 5.520 0.020 1 0 "[ ]" 1
540 1 35 PHE HE1 1 66 PRO HG3 . . 5.500 4.924 4.924 4.924 . 0 0 "[ ]" 1
541 1 35 PHE HZ 1 66 PRO HB2 . . 5.500 4.713 4.713 4.713 . 0 0 "[ ]" 1
542 1 35 PHE HZ 1 66 PRO HD2 . . 5.500 5.466 5.466 5.466 . 0 0 "[ ]" 1
543 1 35 PHE HZ 1 66 PRO HD3 . . 5.500 4.415 4.415 4.415 . 0 0 "[ ]" 1
544 1 35 PHE HZ 1 66 PRO HG3 . . 5.500 2.982 2.982 2.982 . 0 0 "[ ]" 1
545 1 36 PRO HA 1 37 HIS H . . 3.700 2.413 2.413 2.413 . 0 0 "[ ]" 1
546 1 36 PRO HA 1 37 HIS HA . . 5.220 4.583 4.583 4.583 . 0 0 "[ ]" 1
547 1 36 PRO HA 1 64 ASN HA . . 4.040 2.467 2.467 2.467 . 0 0 "[ ]" 1
548 1 36 PRO HB2 1 37 HIS H . . 4.850 2.533 2.533 2.533 . 0 0 "[ ]" 1
549 1 36 PRO HB2 1 62 LEU HB2 . . 5.500 3.249 3.249 3.249 . 0 0 "[ ]" 1
550 1 36 PRO HB2 1 62 LEU HB3 . . 5.250 2.421 2.421 2.421 . 0 0 "[ ]" 1
551 1 36 PRO HB2 1 62 LEU QD . . 6.060 3.010 3.010 3.010 . 0 0 "[ ]" 1
552 1 36 PRO HB3 1 36 PRO HD2 . . 3.760 3.794 3.794 3.794 0.034 1 0 "[ ]" 1
553 1 36 PRO HB3 1 36 PRO HD3 . . 3.610 2.822 2.822 2.822 . 0 0 "[ ]" 1
554 1 36 PRO HB3 1 37 HIS H . . 4.290 3.584 3.584 3.584 . 0 0 "[ ]" 1
555 1 36 PRO HB3 1 62 LEU HB3 . . 5.130 4.000 4.000 4.000 . 0 0 "[ ]" 1
556 1 36 PRO HB3 1 62 LEU QD . . 4.880 4.220 4.220 4.220 . 0 0 "[ ]" 1
557 1 36 PRO HB3 1 64 ASN HA . . 5.000 2.303 2.303 2.303 . 0 0 "[ ]" 1
558 1 37 HIS H 1 37 HIS HB2 . . 3.610 2.862 2.862 2.862 . 0 0 "[ ]" 1
559 1 37 HIS H 1 37 HIS HB3 . . 4.290 3.920 3.920 3.920 . 0 0 "[ ]" 1
560 1 37 HIS H 1 63 LEU H . . 5.310 3.094 3.094 3.094 . 0 0 "[ ]" 1
561 1 37 HIS HA 1 38 ASN H . . 4.040 2.587 2.587 2.587 . 0 0 "[ ]" 1
562 1 37 HIS HA 1 62 LEU QD . . 6.530 3.163 3.163 3.163 . 0 0 "[ ]" 1
563 1 37 HIS HA 1 86 PRO QD . . 5.500 3.951 3.951 3.951 . 0 0 "[ ]" 1
564 1 37 HIS HA 1 86 PRO HG2 . . 5.500 3.368 3.368 3.368 . 0 0 "[ ]" 1
565 1 37 HIS HA 1 87 HIS HE1 . . 5.500 3.817 3.817 3.817 . 0 0 "[ ]" 1
566 1 37 HIS HA 1 92 MET ME . . 6.530 5.463 5.463 5.463 . 0 0 "[ ]" 1
567 1 37 HIS HB2 1 38 ASN H . . 4.910 3.354 3.354 3.354 . 0 0 "[ ]" 1
568 1 37 HIS HB2 1 92 MET ME . . 6.530 4.683 4.683 4.683 . 0 0 "[ ]" 1
569 1 37 HIS HB3 1 37 HIS HE1 . . 5.500 4.833 4.833 4.833 . 0 0 "[ ]" 1
570 1 37 HIS HB3 1 38 ASN H . . 4.170 2.170 2.170 2.170 . 0 0 "[ ]" 1
571 1 37 HIS HB3 1 92 MET ME . . 6.530 3.761 3.761 3.761 . 0 0 "[ ]" 1
572 1 37 HIS HD2 1 92 MET ME . . 6.530 5.263 5.263 5.263 . 0 0 "[ ]" 1
573 1 37 HIS HE1 1 87 HIS HB2 . . 5.500 5.083 5.083 5.083 . 0 0 "[ ]" 1
574 1 37 HIS HE1 1 87 HIS HE1 . . 5.130 3.411 3.411 3.411 . 0 0 "[ ]" 1
575 1 37 HIS HE1 1 92 MET ME . . 6.530 4.264 4.264 4.264 . 0 0 "[ ]" 1
576 1 38 ASN H 1 39 VAL H . . 5.500 4.285 4.285 4.285 . 0 0 "[ ]" 1
577 1 38 ASN H 1 84 CYS HA . . 5.410 3.799 3.799 3.799 . 0 0 "[ ]" 1
578 1 38 ASN H 1 86 PRO QD . . 5.500 4.017 4.017 4.017 . 0 0 "[ ]" 1
579 1 38 ASN HA 1 39 VAL H . . 3.550 2.649 2.649 2.649 . 0 0 "[ ]" 1
580 1 38 ASN HA 1 39 VAL MG2 . . 5.040 4.461 4.461 4.461 . 0 0 "[ ]" 1
581 1 38 ASN HA 1 62 LEU HA . . 4.380 3.487 3.487 3.487 . 0 0 "[ ]" 1
582 1 38 ASN HA 1 62 LEU QD . . 6.530 4.229 4.229 4.229 . 0 0 "[ ]" 1
583 1 38 ASN HA 1 63 LEU MD1 . . 4.950 3.376 3.376 3.376 . 0 0 "[ ]" 1
584 1 38 ASN HA 1 63 LEU HG . . 5.000 2.856 2.856 2.856 . 0 0 "[ ]" 1
585 1 38 ASN HB2 1 39 VAL H . . 4.510 2.277 2.277 2.277 . 0 0 "[ ]" 1
586 1 38 ASN HB2 1 57 MET HB3 . . 5.500 4.039 4.039 4.039 . 0 0 "[ ]" 1
587 1 38 ASN HB2 1 57 MET ME . . 6.430 3.864 3.864 3.864 . 0 0 "[ ]" 1
588 1 38 ASN HB2 1 62 LEU HA . . 4.600 3.719 3.719 3.719 . 0 0 "[ ]" 1
589 1 38 ASN HB2 1 62 LEU QD . . 5.720 3.754 3.754 3.754 . 0 0 "[ ]" 1
590 1 38 ASN HB3 1 39 VAL H . . 4.110 3.731 3.731 3.731 . 0 0 "[ ]" 1
591 1 38 ASN HB3 1 39 VAL MG2 . . 6.530 5.992 5.992 5.992 . 0 0 "[ ]" 1
592 1 38 ASN HB3 1 57 MET HB2 . . 5.500 4.237 4.237 4.237 . 0 0 "[ ]" 1
593 1 38 ASN HB3 1 57 MET HB3 . . 5.500 5.041 5.041 5.041 . 0 0 "[ ]" 1
594 1 38 ASN HB3 1 57 MET ME . . 5.810 4.063 4.063 4.063 . 0 0 "[ ]" 1
595 1 38 ASN HB3 1 62 LEU HA . . 5.280 2.578 2.578 2.578 . 0 0 "[ ]" 1
596 1 38 ASN HB3 1 62 LEU QD . . 6.530 2.525 2.525 2.525 . 0 0 "[ ]" 1
597 1 38 ASN HD21 1 40 VAL MG2 . . 6.530 3.042 3.042 3.042 . 0 0 "[ ]" 1
598 1 38 ASN HD21 1 59 GLU HA . . 5.500 4.529 4.529 4.529 . 0 0 "[ ]" 1
599 1 38 ASN HD21 1 62 LEU HA . . 5.500 4.663 4.663 4.663 . 0 0 "[ ]" 1
600 1 38 ASN HD21 1 62 LEU QD . . 6.530 2.929 2.929 2.929 . 0 0 "[ ]" 1
601 1 38 ASN HD22 1 40 VAL MG2 . . 6.530 2.721 2.721 2.721 . 0 0 "[ ]" 1
602 1 38 ASN HD22 1 59 GLU HA . . 5.500 5.395 5.395 5.395 . 0 0 "[ ]" 1
603 1 38 ASN HD22 1 62 LEU QD . . 6.530 3.203 3.203 3.203 . 0 0 "[ ]" 1
604 1 39 VAL H 1 39 VAL HB . . 4.230 2.780 2.780 2.780 . 0 0 "[ ]" 1
605 1 39 VAL H 1 40 VAL H . . 5.500 4.224 4.224 4.224 . 0 0 "[ ]" 1
606 1 39 VAL H 1 40 VAL MG2 . . 6.530 3.677 3.677 3.677 . 0 0 "[ ]" 1
607 1 39 VAL H 1 57 MET HB2 . . 5.500 3.243 3.243 3.243 . 0 0 "[ ]" 1
608 1 39 VAL H 1 57 MET HB3 . . 5.500 4.412 4.412 4.412 . 0 0 "[ ]" 1
609 1 39 VAL H 1 57 MET ME . . 6.530 4.068 4.068 4.068 . 0 0 "[ ]" 1
610 1 39 VAL H 1 70 TYR HD2 . . 5.500 3.800 3.800 3.800 . 0 0 "[ ]" 1
611 1 39 VAL HA 1 39 VAL MG1 . . 3.740 2.799 2.799 2.799 . 0 0 "[ ]" 1
612 1 39 VAL HA 1 40 VAL H . . 2.960 1.999 1.999 1.999 . 0 0 "[ ]" 1
613 1 39 VAL HA 1 40 VAL MG2 . . 6.250 3.470 3.470 3.470 . 0 0 "[ ]" 1
614 1 39 VAL HA 1 83 TYR H . . 5.470 4.569 4.569 4.569 . 0 0 "[ ]" 1
615 1 39 VAL HA 1 84 CYS HA . . 4.010 3.028 3.028 3.028 . 0 0 "[ ]" 1
616 1 39 VAL HB 1 40 VAL H . . 4.970 4.346 4.346 4.346 . 0 0 "[ ]" 1
617 1 39 VAL HB 1 70 TYR HB2 . . 5.500 5.102 5.102 5.102 . 0 0 "[ ]" 1
618 1 39 VAL HB 1 70 TYR HE2 . . 5.340 3.489 3.489 3.489 . 0 0 "[ ]" 1
619 1 39 VAL MG1 1 40 VAL H . . 6.280 2.736 2.736 2.736 . 0 0 "[ ]" 1
620 1 39 VAL MG1 1 41 PHE QD . . 6.530 2.899 2.899 2.899 . 0 0 "[ ]" 1
621 1 39 VAL MG1 1 41 PHE HE1 . . 5.570 2.548 2.548 2.548 . 0 0 "[ ]" 1
622 1 39 VAL MG1 1 41 PHE HZ . . 6.530 4.009 4.009 4.009 . 0 0 "[ ]" 1
623 1 39 VAL MG1 1 56 SER HA . . 6.090 2.826 2.826 2.826 . 0 0 "[ ]" 1
624 1 39 VAL MG1 1 70 TYR HD2 . . 6.530 3.227 3.227 3.227 . 0 0 "[ ]" 1
625 1 39 VAL MG1 1 70 TYR HE2 . . 6.530 2.617 2.617 2.617 . 0 0 "[ ]" 1
626 1 39 VAL MG1 1 72 VAL MG1 . . 7.560 3.950 3.950 3.950 . 0 0 "[ ]" 1
627 1 39 VAL MG1 1 82 PHE HB2 . . 5.940 2.117 2.117 2.117 . 0 0 "[ ]" 1
628 1 39 VAL MG1 1 82 PHE HB3 . . 6.530 3.180 3.180 3.180 . 0 0 "[ ]" 1
629 1 39 VAL MG1 1 82 PHE QD . . 6.250 2.186 2.186 2.186 . 0 0 "[ ]" 1
630 1 39 VAL MG2 1 40 VAL H . . 6.530 3.029 3.029 3.029 . 0 0 "[ ]" 1
631 1 39 VAL MG2 1 63 LEU MD1 . . 7.560 4.600 4.600 4.600 . 0 0 "[ ]" 1
632 1 39 VAL MG2 1 70 TYR HB2 . . 6.530 5.899 5.899 5.899 . 0 0 "[ ]" 1
633 1 39 VAL MG2 1 70 TYR HB3 . . 6.530 4.762 4.762 4.762 . 0 0 "[ ]" 1
634 1 39 VAL MG2 1 70 TYR HD2 . . 6.530 3.832 3.832 3.832 . 0 0 "[ ]" 1
635 1 39 VAL MG2 1 70 TYR HE2 . . 6.530 4.699 4.699 4.699 . 0 0 "[ ]" 1
636 1 39 VAL MG2 1 82 PHE QD . . 6.530 1.993 1.993 1.993 . 0 0 "[ ]" 1
637 1 40 VAL H 1 40 VAL HB . . 3.730 2.669 2.669 2.669 . 0 0 "[ ]" 1
638 1 40 VAL H 1 83 TYR H . . 4.450 3.035 3.035 3.035 . 0 0 "[ ]" 1
639 1 40 VAL H 1 84 CYS HA . . 4.600 3.253 3.253 3.253 . 0 0 "[ ]" 1
640 1 40 VAL HA 1 41 PHE H . . 3.550 2.160 2.160 2.160 . 0 0 "[ ]" 1
641 1 40 VAL HA 1 56 SER HA . . 3.790 2.592 2.592 2.592 . 0 0 "[ ]" 1
642 1 40 VAL HA 1 56 SER HB2 . . 4.350 3.776 3.776 3.776 . 0 0 "[ ]" 1
643 1 40 VAL HA 1 57 MET H . . 4.820 3.230 3.230 3.230 . 0 0 "[ ]" 1
644 1 40 VAL HB 1 41 PHE H . . 5.500 4.292 4.292 4.292 . 0 0 "[ ]" 1
645 1 40 VAL HB 1 83 TYR HE1 . . 5.070 2.760 2.760 2.760 . 0 0 "[ ]" 1
646 1 40 VAL MG1 1 41 PHE H . . 5.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
647 1 40 VAL MG1 1 56 SER HB2 . . 4.640 3.690 3.690 3.690 . 0 0 "[ ]" 1
648 1 40 VAL MG1 1 56 SER HB3 . . 6.530 2.638 2.638 2.638 . 0 0 "[ ]" 1
649 1 40 VAL MG1 1 56 SER HG . . 6.530 2.546 2.546 2.546 . 0 0 "[ ]" 1
650 1 40 VAL MG1 1 83 TYR HD1 . . 6.530 3.409 3.409 3.409 . 0 0 "[ ]" 1
651 1 40 VAL MG1 1 83 TYR HE1 . . 5.660 2.278 2.278 2.278 . 0 0 "[ ]" 1
652 1 40 VAL MG2 1 41 PHE H . . 6.530 4.113 4.113 4.113 . 0 0 "[ ]" 1
653 1 40 VAL MG2 1 56 SER HB2 . . 5.070 4.307 4.307 4.307 . 0 0 "[ ]" 1
654 1 40 VAL MG2 1 57 MET H . . 6.530 3.181 3.181 3.181 . 0 0 "[ ]" 1
655 1 40 VAL MG2 1 57 MET HB3 . . 6.340 5.083 5.083 5.083 . 0 0 "[ ]" 1
656 1 40 VAL MG2 1 59 GLU HA . . 6.000 4.415 4.415 4.415 . 0 0 "[ ]" 1
657 1 40 VAL MG2 1 83 TYR HD1 . . 6.530 3.811 3.811 3.811 . 0 0 "[ ]" 1
658 1 40 VAL MG2 1 84 CYS HA . . 5.690 3.352 3.352 3.352 . 0 0 "[ ]" 1
659 1 40 VAL MG2 1 85 SER H . . 6.530 2.535 2.535 2.535 . 0 0 "[ ]" 1
660 1 40 VAL MG2 1 85 SER HB2 . . 4.230 3.757 3.757 3.757 . 0 0 "[ ]" 1
661 1 41 PHE H 1 41 PHE HB2 . . 3.860 2.245 2.245 2.245 . 0 0 "[ ]" 1
662 1 41 PHE H 1 41 PHE HB3 . . 4.350 3.529 3.529 3.529 . 0 0 "[ ]" 1
663 1 41 PHE H 1 41 PHE QD . . 5.100 2.507 2.507 2.507 . 0 0 "[ ]" 1
664 1 41 PHE H 1 41 PHE HE1 . . 5.500 4.916 4.916 4.916 . 0 0 "[ ]" 1
665 1 41 PHE H 1 42 ASP H . . 5.500 4.608 4.608 4.608 . 0 0 "[ ]" 1
666 1 41 PHE H 1 56 SER HA . . 4.290 2.924 2.924 2.924 . 0 0 "[ ]" 1
667 1 41 PHE H 1 56 SER HB2 . . 5.500 3.786 3.786 3.786 . 0 0 "[ ]" 1
668 1 41 PHE H 1 56 SER HB3 . . 5.500 3.214 3.214 3.214 . 0 0 "[ ]" 1
669 1 41 PHE H 1 56 SER HG . . 5.500 2.428 2.428 2.428 . 0 0 "[ ]" 1
670 1 41 PHE HA 1 42 ASP H . . 3.330 2.207 2.207 2.207 . 0 0 "[ ]" 1
671 1 41 PHE HA 1 82 PHE HA . . 3.140 2.118 2.118 2.118 . 0 0 "[ ]" 1
672 1 41 PHE HA 1 82 PHE HB2 . . 5.410 3.124 3.124 3.124 . 0 0 "[ ]" 1
673 1 41 PHE HA 1 82 PHE HB3 . . 5.130 2.258 2.258 2.258 . 0 0 "[ ]" 1
674 1 41 PHE HA 1 83 TYR H . . 4.850 3.495 3.495 3.495 . 0 0 "[ ]" 1
675 1 41 PHE HB2 1 41 PHE HE1 . . 5.500 4.857 4.857 4.857 . 0 0 "[ ]" 1
676 1 41 PHE HB2 1 42 ASP H . . 4.820 4.289 4.289 4.289 . 0 0 "[ ]" 1
677 1 41 PHE HB2 1 46 ILE MD . . 6.530 4.374 4.374 4.374 . 0 0 "[ ]" 1
678 1 41 PHE HB2 1 46 ILE MG . . 4.110 3.228 3.228 3.228 . 0 0 "[ ]" 1
679 1 41 PHE HB2 1 52 ALA HA . . 5.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
680 1 41 PHE HB2 1 52 ALA MB . . 6.060 2.389 2.389 2.389 . 0 0 "[ ]" 1
681 1 41 PHE HB2 1 55 ILE MD . . 6.060 3.020 3.020 3.020 . 0 0 "[ ]" 1
682 1 41 PHE HB2 1 55 ILE HG12 . . 4.970 3.839 3.839 3.839 . 0 0 "[ ]" 1
683 1 41 PHE HB3 1 41 PHE HE1 . . 5.500 5.500 5.500 5.500 0.000 1 0 "[ ]" 1
684 1 41 PHE HB3 1 42 ASP H . . 4.350 3.182 3.182 3.182 . 0 0 "[ ]" 1
685 1 41 PHE HB3 1 46 ILE MD . . 6.530 3.863 3.863 3.863 . 0 0 "[ ]" 1
686 1 41 PHE HB3 1 46 ILE MG . . 4.360 2.060 2.060 2.060 . 0 0 "[ ]" 1
687 1 41 PHE HB3 1 52 ALA MB . . 6.530 3.039 3.039 3.039 . 0 0 "[ ]" 1
688 1 41 PHE HB3 1 55 ILE MD . . 6.530 2.849 2.849 2.849 . 0 0 "[ ]" 1
689 1 41 PHE HB3 1 82 PHE HA . . 5.500 4.526 4.526 4.526 . 0 0 "[ ]" 1
690 1 41 PHE QD 1 42 ASP H . . 5.500 3.796 3.796 3.796 . 0 0 "[ ]" 1
691 1 41 PHE QD 1 46 ILE MG . . 5.010 2.532 2.532 2.532 . 0 0 "[ ]" 1
692 1 41 PHE QD 1 74 LEU MD1 . . 6.530 4.235 4.235 4.235 . 0 0 "[ ]" 1
693 1 41 PHE QD 1 74 LEU MD2 . . 6.530 4.393 4.393 4.393 . 0 0 "[ ]" 1
694 1 41 PHE QD 1 80 TYR HA . . 5.500 3.384 3.384 3.384 . 0 0 "[ ]" 1
695 1 41 PHE QD 1 80 TYR HB2 . . 4.760 4.898 4.898 4.898 0.138 1 0 "[ ]" 1
696 1 41 PHE QD 1 80 TYR HB3 . . 3.980 3.161 3.161 3.161 . 0 0 "[ ]" 1
697 1 41 PHE QD 1 81 LYS H . . 5.500 4.519 4.519 4.519 . 0 0 "[ ]" 1
698 1 41 PHE QD 1 82 PHE HA . . 5.500 4.032 4.032 4.032 . 0 0 "[ ]" 1
699 1 41 PHE QD 1 82 PHE HB2 . . 5.500 3.785 3.785 3.785 . 0 0 "[ ]" 1
700 1 41 PHE QD 1 82 PHE HB3 . . 5.500 2.810 2.810 2.810 . 0 0 "[ ]" 1
701 1 41 PHE QD 1 82 PHE QD . . 5.500 3.179 3.179 3.179 . 0 0 "[ ]" 1
702 1 41 PHE QD 1 96 VAL MG1 . . 6.530 3.920 3.920 3.920 . 0 0 "[ ]" 1
703 1 41 PHE HE1 1 55 ILE HB . . 5.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
704 1 41 PHE HE1 1 55 ILE MD . . 6.530 3.872 3.872 3.872 . 0 0 "[ ]" 1
705 1 41 PHE HE1 1 56 SER HA . . 5.500 4.148 4.148 4.148 . 0 0 "[ ]" 1
706 1 41 PHE HE1 1 72 VAL MG1 . . 6.340 2.866 2.866 2.866 . 0 0 "[ ]" 1
707 1 41 PHE HE1 1 72 VAL MG2 . . 6.530 4.070 4.070 4.070 . 0 0 "[ ]" 1
708 1 41 PHE HE1 1 74 LEU MD1 . . 6.530 3.810 3.810 3.810 . 0 0 "[ ]" 1
709 1 41 PHE HE1 1 74 LEU MD2 . . 6.530 4.831 4.831 4.831 . 0 0 "[ ]" 1
710 1 41 PHE HE1 1 82 PHE HB2 . . 5.500 4.277 4.277 4.277 . 0 0 "[ ]" 1
711 1 41 PHE HE1 1 82 PHE HB3 . . 5.500 3.894 3.894 3.894 . 0 0 "[ ]" 1
712 1 41 PHE HE1 1 96 VAL MG1 . . 5.780 4.913 4.913 4.913 . 0 0 "[ ]" 1
713 1 41 PHE HZ 1 55 ILE MD . . 6.530 3.615 3.615 3.615 . 0 0 "[ ]" 1
714 1 41 PHE HZ 1 72 VAL MG1 . . 5.290 3.081 3.081 3.081 . 0 0 "[ ]" 1
715 1 41 PHE HZ 1 72 VAL MG2 . . 6.530 4.520 4.520 4.520 . 0 0 "[ ]" 1
716 1 41 PHE HZ 1 74 LEU MD1 . . 5.690 2.717 2.717 2.717 . 0 0 "[ ]" 1
717 1 41 PHE HZ 1 74 LEU MD2 . . 6.530 2.909 2.909 2.909 . 0 0 "[ ]" 1
718 1 41 PHE HZ 1 74 LEU HG . . 5.500 5.277 5.277 5.277 . 0 0 "[ ]" 1
719 1 41 PHE HZ 1 82 PHE HB2 . . 5.500 5.021 5.021 5.021 . 0 0 "[ ]" 1
720 1 41 PHE HZ 1 96 VAL MG1 . . 6.530 2.969 2.969 2.969 . 0 0 "[ ]" 1
721 1 42 ASP H 1 42 ASP HB2 . . 3.640 2.477 2.477 2.477 . 0 0 "[ ]" 1
722 1 42 ASP H 1 42 ASP HB3 . . 3.670 2.442 2.442 2.442 . 0 0 "[ ]" 1
723 1 42 ASP H 1 46 ILE MG . . 6.530 3.019 3.019 3.019 . 0 0 "[ ]" 1
724 1 42 ASP H 1 82 PHE HA . . 4.010 2.877 2.877 2.877 . 0 0 "[ ]" 1
725 1 42 ASP H 1 83 TYR HD1 . . 5.500 5.386 5.386 5.386 . 0 0 "[ ]" 1
726 1 42 ASP H 1 83 TYR HE1 . . 5.500 4.927 4.927 4.927 . 0 0 "[ ]" 1
727 1 42 ASP HA 1 43 GLU H . . 3.270 2.160 2.160 2.160 . 0 0 "[ ]" 1
728 1 42 ASP HA 1 43 GLU HA . . 4.540 4.393 4.393 4.393 . 0 0 "[ ]" 1
729 1 42 ASP HA 1 83 TYR HE1 . . 3.580 3.372 3.372 3.372 . 0 0 "[ ]" 1
730 1 42 ASP HB2 1 43 GLU H . . 4.630 4.462 4.462 4.462 . 0 0 "[ ]" 1
731 1 42 ASP HB2 1 83 TYR HD1 . . 5.250 4.718 4.718 4.718 . 0 0 "[ ]" 1
732 1 42 ASP HB2 1 83 TYR HE1 . . 5.070 4.022 4.022 4.022 . 0 0 "[ ]" 1
733 1 42 ASP HB3 1 45 GLU H . . 4.720 3.440 3.440 3.440 . 0 0 "[ ]" 1
734 1 42 ASP HB3 1 45 GLU HB3 . . 5.500 4.240 4.240 4.240 . 0 0 "[ ]" 1
735 1 42 ASP HB3 1 81 LYS HB2 . . 4.940 2.904 2.904 2.904 . 0 0 "[ ]" 1
736 1 42 ASP HB3 1 81 LYS HB3 . . 5.500 3.358 3.358 3.358 . 0 0 "[ ]" 1
737 1 42 ASP HB3 1 81 LYS HG3 . . 5.000 5.375 5.375 5.375 0.375 1 0 "[ ]" 1
738 1 42 ASP HB3 1 83 TYR HE1 . . 5.500 5.574 5.574 5.574 0.074 1 0 "[ ]" 1
739 1 43 GLU H 1 43 GLU HB2 . . 3.950 3.570 3.570 3.570 . 0 0 "[ ]" 1
740 1 43 GLU H 1 43 GLU HB3 . . 3.860 2.301 2.301 2.301 . 0 0 "[ ]" 1
741 1 43 GLU H 1 43 GLU HG2 . . 5.500 2.664 2.664 2.664 . 0 0 "[ ]" 1
742 1 43 GLU H 1 43 GLU HG3 . . 5.280 3.850 3.850 3.850 . 0 0 "[ ]" 1
743 1 43 GLU H 1 52 ALA MB . . 6.530 3.623 3.623 3.623 . 0 0 "[ ]" 1
744 1 43 GLU H 1 83 TYR HE1 . . 5.500 4.875 4.875 4.875 . 0 0 "[ ]" 1
745 1 43 GLU HA 1 44 ASP H . . 5.500 3.373 3.373 3.373 . 0 0 "[ ]" 1
746 1 43 GLU HA 1 46 ILE MD . . 3.990 2.587 2.587 2.587 . 0 0 "[ ]" 1
747 1 43 GLU HA 1 46 ILE QG . . 6.380 2.316 2.316 2.316 . 0 0 "[ ]" 1
748 1 43 GLU HA 1 52 ALA H . . 5.500 4.093 4.093 4.093 . 0 0 "[ ]" 1
749 1 43 GLU HA 1 52 ALA MB . . 3.770 2.753 2.753 2.753 . 0 0 "[ ]" 1
750 1 43 GLU HB2 1 52 ALA MB . . 4.980 3.494 3.494 3.494 . 0 0 "[ ]" 1
751 1 43 GLU HB3 1 44 ASP H . . 5.500 4.264 4.264 4.264 . 0 0 "[ ]" 1
752 1 43 GLU HB3 1 52 ALA MB . . 5.690 3.010 3.010 3.010 . 0 0 "[ ]" 1
753 1 43 GLU HG2 1 44 ASP H . . 5.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
754 1 43 GLU HG3 1 44 ASP H . . 5.500 3.406 3.406 3.406 . 0 0 "[ ]" 1
755 1 43 GLU HG3 1 52 ALA MB . . 6.530 5.319 5.319 5.319 . 0 0 "[ ]" 1
756 1 44 ASP H 1 44 ASP HB2 . . 3.640 2.550 2.550 2.550 . 0 0 "[ ]" 1
757 1 44 ASP H 1 45 GLU H . . 4.010 2.293 2.293 2.293 . 0 0 "[ ]" 1
758 1 44 ASP HA 1 45 GLU H . . 4.720 3.443 3.443 3.443 . 0 0 "[ ]" 1
759 1 44 ASP HB2 1 45 GLU H . . 4.720 4.141 4.141 4.141 . 0 0 "[ ]" 1
760 1 44 ASP HB3 1 45 GLU H . . 5.500 3.355 3.355 3.355 . 0 0 "[ ]" 1
761 1 45 GLU H 1 45 GLU HB2 . . 3.980 2.591 2.591 2.591 . 0 0 "[ ]" 1
762 1 45 GLU H 1 45 GLU HB3 . . 3.730 3.739 3.739 3.739 0.009 1 0 "[ ]" 1
763 1 45 GLU H 1 45 GLU HG2 . . 5.500 4.244 4.244 4.244 . 0 0 "[ ]" 1
764 1 45 GLU H 1 45 GLU HG3 . . 5.500 3.434 3.434 3.434 . 0 0 "[ ]" 1
765 1 45 GLU H 1 46 ILE H . . 4.260 2.018 2.018 2.018 . 0 0 "[ ]" 1
766 1 45 GLU H 1 46 ILE QG . . 6.380 3.100 3.100 3.100 . 0 0 "[ ]" 1
767 1 45 GLU H 1 46 ILE MG . . 6.530 3.676 3.676 3.676 . 0 0 "[ ]" 1
768 1 45 GLU HA 1 46 ILE H . . 3.640 3.444 3.444 3.444 . 0 0 "[ ]" 1
769 1 45 GLU HB3 1 45 GLU HG2 . . 3.110 2.498 2.498 2.498 . 0 0 "[ ]" 1
770 1 45 GLU HB3 1 81 LYS H . . 5.500 4.039 4.039 4.039 . 0 0 "[ ]" 1
771 1 45 GLU HB3 1 81 LYS HB2 . . 5.500 3.270 3.270 3.270 . 0 0 "[ ]" 1
772 1 45 GLU HB3 1 81 LYS HB3 . . 5.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
773 1 46 ILE HA 1 47 PRO HD2 . . 3.580 2.639 2.639 2.639 . 0 0 "[ ]" 1
774 1 46 ILE HA 1 47 PRO HD3 . . 4.380 2.539 2.539 2.539 . 0 0 "[ ]" 1
775 1 46 ILE HA 1 80 TYR HA . . 3.140 3.277 3.277 3.277 0.137 1 0 "[ ]" 1
776 1 46 ILE HA 1 80 TYR HB3 . . 5.500 5.169 5.169 5.169 . 0 0 "[ ]" 1
777 1 46 ILE HA 1 81 LYS H . . 4.350 3.903 3.903 3.903 . 0 0 "[ ]" 1
778 1 46 ILE HB 1 47 PRO HD2 . . 4.880 2.049 2.049 2.049 . 0 0 "[ ]" 1
779 1 46 ILE HB 1 47 PRO HD3 . . 4.290 3.461 3.461 3.461 . 0 0 "[ ]" 1
780 1 46 ILE HB 1 50 VAL QG . . 6.310 2.699 2.699 2.699 . 0 0 "[ ]" 1
781 1 46 ILE HB 1 80 TYR HA . . 5.500 5.099 5.099 5.099 . 0 0 "[ ]" 1
782 1 46 ILE MD 1 52 ALA H . . 6.530 2.355 2.355 2.355 . 0 0 "[ ]" 1
783 1 46 ILE MD 1 52 ALA HA . . 4.980 3.134 3.134 3.134 . 0 0 "[ ]" 1
784 1 46 ILE MD 1 52 ALA MB . . 6.040 2.140 2.140 2.140 . 0 0 "[ ]" 1
785 1 46 ILE MG 1 50 VAL QG . . 7.560 3.282 3.282 3.282 . 0 0 "[ ]" 1
786 1 46 ILE MG 1 55 ILE MD . . 7.560 2.627 2.627 2.627 . 0 0 "[ ]" 1
787 1 46 ILE MG 1 80 TYR HA . . 3.890 3.246 3.246 3.246 . 0 0 "[ ]" 1
788 1 46 ILE MG 1 80 TYR HB2 . . 6.250 5.376 5.376 5.376 . 0 0 "[ ]" 1
789 1 46 ILE MG 1 80 TYR HB3 . . 5.500 4.248 4.248 4.248 . 0 0 "[ ]" 1
790 1 46 ILE MG 1 80 TYR HD1 . . 6.530 2.273 2.273 2.273 . 0 0 "[ ]" 1
791 1 46 ILE MG 1 81 LYS H . . 5.350 3.973 3.973 3.973 . 0 0 "[ ]" 1
792 1 47 PRO HA 1 48 SER H . . 4.880 2.385 2.385 2.385 . 0 0 "[ ]" 1
793 1 47 PRO HB2 1 48 SER H . . 3.860 2.690 2.690 2.690 . 0 0 "[ ]" 1
794 1 47 PRO HB2 1 50 VAL QG . . 5.540 4.150 4.150 4.150 . 0 0 "[ ]" 1
795 1 47 PRO HB3 1 48 SER H . . 4.970 3.545 3.545 3.545 . 0 0 "[ ]" 1
796 1 47 PRO HB3 1 80 TYR HH . . 5.500 5.508 5.508 5.508 0.008 1 0 "[ ]" 1
797 1 47 PRO HD2 1 50 VAL QG . . 6.530 2.752 2.752 2.752 . 0 0 "[ ]" 1
798 1 47 PRO HD2 1 80 TYR HA . . 5.310 4.358 4.358 4.358 . 0 0 "[ ]" 1
799 1 47 PRO HD3 1 80 TYR HA . . 5.500 3.735 3.735 3.735 . 0 0 "[ ]" 1
800 1 47 PRO HD3 1 80 TYR HH . . 5.500 4.873 4.873 4.873 . 0 0 "[ ]" 1
801 1 47 PRO HG2 1 50 VAL QG . . 5.690 2.532 2.532 2.532 . 0 0 "[ ]" 1
802 1 47 PRO HG2 1 78 GLY HA3 . . 5.500 4.867 4.867 4.867 . 0 0 "[ ]" 1
803 1 47 PRO HG2 1 80 TYR HH . . 5.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
804 1 47 PRO HG3 1 48 SER H . . 5.500 5.169 5.169 5.169 . 0 0 "[ ]" 1
805 1 47 PRO HG3 1 78 GLY HA3 . . 5.500 3.401 3.401 3.401 . 0 0 "[ ]" 1
806 1 47 PRO HG3 1 80 TYR HH . . 5.500 3.211 3.211 3.211 . 0 0 "[ ]" 1
807 1 48 SER H 1 49 GLY H . . 5.500 2.718 2.718 2.718 . 0 0 "[ ]" 1
808 1 48 SER HA 1 49 GLY H . . 5.500 3.557 3.557 3.557 . 0 0 "[ ]" 1
809 1 48 SER HA 1 49 GLY HA2 . . 4.970 4.766 4.766 4.766 . 0 0 "[ ]" 1
810 1 48 SER QB 1 49 GLY H . . 6.100 2.831 2.831 2.831 . 0 0 "[ ]" 1
811 1 49 GLY H 1 50 VAL H . . 4.480 3.236 3.236 3.236 . 0 0 "[ ]" 1
812 1 49 GLY HA2 1 50 VAL H . . 4.600 3.149 3.149 3.149 . 0 0 "[ ]" 1
813 1 49 GLY HA3 1 50 VAL H . . 4.040 3.511 3.511 3.511 . 0 0 "[ ]" 1
814 1 50 VAL H 1 50 VAL HB . . 3.300 3.090 3.090 3.090 . 0 0 "[ ]" 1
815 1 50 VAL H 1 51 ASP H . . 5.160 4.429 4.429 4.429 . 0 0 "[ ]" 1
816 1 50 VAL HA 1 51 ASP H . . 3.390 2.438 2.438 2.438 . 0 0 "[ ]" 1
817 1 50 VAL HB 1 51 ASP H . . 4.600 4.047 4.047 4.047 . 0 0 "[ ]" 1
818 1 50 VAL QG 1 51 ASP H . . 6.000 2.058 2.058 2.058 . 0 0 "[ ]" 1
819 1 50 VAL QG 1 52 ALA H . . 6.530 3.623 3.623 3.623 . 0 0 "[ ]" 1
820 1 50 VAL QG 1 52 ALA HA . . 6.530 3.459 3.459 3.459 . 0 0 "[ ]" 1
821 1 50 VAL QG 1 55 ILE MD . . 6.630 2.390 2.390 2.390 . 0 0 "[ ]" 1
822 1 50 VAL QG 1 55 ILE MG . . 6.780 2.754 2.754 2.754 . 0 0 "[ ]" 1
823 1 50 VAL QG 1 76 GLU H . . 6.530 6.024 6.024 6.024 . 0 0 "[ ]" 1
824 1 50 VAL QG 1 76 GLU HB2 . . 4.730 3.838 3.838 3.838 . 0 0 "[ ]" 1
825 1 50 VAL QG 1 76 GLU HG2 . . 5.500 4.088 4.088 4.088 . 0 0 "[ ]" 1
826 1 50 VAL QG 1 76 GLU HG3 . . 5.720 3.721 3.721 3.721 . 0 0 "[ ]" 1
827 1 50 VAL QG 1 80 TYR HE2 . . 4.820 4.558 4.558 4.558 . 0 0 "[ ]" 1
828 1 50 VAL QG 1 80 TYR HH . . 6.530 3.195 3.195 3.195 . 0 0 "[ ]" 1
829 1 51 ASP H 1 51 ASP HA . . 3.080 3.009 3.009 3.009 . 0 0 "[ ]" 1
830 1 51 ASP H 1 51 ASP HB2 . . 3.950 3.063 3.063 3.063 . 0 0 "[ ]" 1
831 1 51 ASP H 1 51 ASP HB3 . . 3.790 2.599 2.599 2.599 . 0 0 "[ ]" 1
832 1 51 ASP HA 1 52 ALA H . . 3.420 2.211 2.211 2.211 . 0 0 "[ ]" 1
833 1 51 ASP HB2 1 52 ALA H . . 5.310 4.310 4.310 4.310 . 0 0 "[ ]" 1
834 1 51 ASP HB2 1 54 LYS HB2 . . 5.500 5.642 5.642 5.642 0.142 1 0 "[ ]" 1
835 1 51 ASP HB3 1 52 ALA H . . 5.130 4.246 4.246 4.246 . 0 0 "[ ]" 1
836 1 51 ASP HB3 1 54 LYS HB2 . . 5.500 4.045 4.045 4.045 . 0 0 "[ ]" 1
837 1 51 ASP HB3 1 54 LYS HD2 . . 5.500 4.935 4.935 4.935 . 0 0 "[ ]" 1
838 1 51 ASP HB3 1 54 LYS HD3 . . 5.500 4.742 4.742 4.742 . 0 0 "[ ]" 1
839 1 51 ASP HB3 1 54 LYS HG2 . . 5.500 2.719 2.719 2.719 . 0 0 "[ ]" 1
840 1 52 ALA H 1 53 ALA H . . 4.260 2.775 2.775 2.775 . 0 0 "[ ]" 1
841 1 52 ALA HA 1 53 ALA H . . 5.500 3.548 3.548 3.548 . 0 0 "[ ]" 1
842 1 52 ALA HA 1 55 ILE H . . 4.570 3.301 3.301 3.301 . 0 0 "[ ]" 1
843 1 52 ALA HA 1 55 ILE MD . . 5.690 2.817 2.817 2.817 . 0 0 "[ ]" 1
844 1 52 ALA HA 1 55 ILE HG12 . . 3.980 2.227 2.227 2.227 . 0 0 "[ ]" 1
845 1 52 ALA HA 1 55 ILE MG . . 6.530 4.174 4.174 4.174 . 0 0 "[ ]" 1
846 1 52 ALA HA 1 56 SER H . . 5.280 3.553 3.553 3.553 . 0 0 "[ ]" 1
847 1 52 ALA HA 1 56 SER HG . . 5.500 4.293 4.293 4.293 . 0 0 "[ ]" 1
848 1 52 ALA MB 1 53 ALA H . . 5.780 2.895 2.895 2.895 . 0 0 "[ ]" 1
849 1 52 ALA MB 1 56 SER HG . . 6.530 2.335 2.335 2.335 . 0 0 "[ ]" 1
850 1 53 ALA H 1 54 LYS H . . 3.920 2.870 2.870 2.870 . 0 0 "[ ]" 1
851 1 53 ALA HA 1 54 LYS H . . 5.500 3.444 3.444 3.444 . 0 0 "[ ]" 1
852 1 53 ALA HA 1 56 SER HB2 . . 5.500 3.217 3.217 3.217 . 0 0 "[ ]" 1
853 1 53 ALA HA 1 56 SER HG . . 5.500 4.270 4.270 4.270 . 0 0 "[ ]" 1
854 1 53 ALA MB 1 54 LYS H . . 5.720 3.171 3.171 3.171 . 0 0 "[ ]" 1
855 1 54 LYS H 1 54 LYS HB2 . . 3.580 2.471 2.471 2.471 . 0 0 "[ ]" 1
856 1 54 LYS H 1 54 LYS HB3 . . 4.260 3.685 3.685 3.685 . 0 0 "[ ]" 1
857 1 54 LYS H 1 54 LYS HD2 . . 5.500 3.928 3.928 3.928 . 0 0 "[ ]" 1
858 1 54 LYS H 1 54 LYS HD3 . . 5.500 4.910 4.910 4.910 . 0 0 "[ ]" 1
859 1 54 LYS H 1 54 LYS HG2 . . 5.500 2.669 2.669 2.669 . 0 0 "[ ]" 1
860 1 54 LYS H 1 55 ILE H . . 3.920 2.346 2.346 2.346 . 0 0 "[ ]" 1
861 1 54 LYS HA 1 54 LYS HD2 . . 5.500 2.312 2.312 2.312 . 0 0 "[ ]" 1
862 1 54 LYS HA 1 54 LYS HD3 . . 4.570 3.813 3.813 3.813 . 0 0 "[ ]" 1
863 1 54 LYS HA 1 54 LYS HE2 . . 5.500 2.402 2.402 2.402 . 0 0 "[ ]" 1
864 1 54 LYS HA 1 54 LYS HG2 . . 4.290 3.165 3.165 3.165 . 0 0 "[ ]" 1
865 1 54 LYS HA 1 55 ILE H . . 4.790 3.382 3.382 3.382 . 0 0 "[ ]" 1
866 1 54 LYS HB2 1 55 ILE H . . 4.630 3.455 3.455 3.455 . 0 0 "[ ]" 1
867 1 54 LYS HB3 1 54 LYS HE2 . . 5.500 2.179 2.179 2.179 . 0 0 "[ ]" 1
868 1 54 LYS HB3 1 55 ILE H . . 5.160 4.231 4.231 4.231 . 0 0 "[ ]" 1
869 1 54 LYS HB3 1 55 ILE MG . . 5.910 3.222 3.222 3.222 . 0 0 "[ ]" 1
870 1 54 LYS HG2 1 55 ILE H . . 5.500 4.709 4.709 4.709 . 0 0 "[ ]" 1
871 1 55 ILE H 1 55 ILE HG12 . . 3.920 2.414 2.414 2.414 . 0 0 "[ ]" 1
872 1 55 ILE H 1 56 SER H . . 3.730 2.007 2.007 2.007 . 0 0 "[ ]" 1
873 1 55 ILE HA 1 55 ILE HB . . 3.050 2.456 2.456 2.456 . 0 0 "[ ]" 1
874 1 55 ILE HA 1 55 ILE MG . . 3.430 2.219 2.219 2.219 . 0 0 "[ ]" 1
875 1 55 ILE HA 1 56 SER H . . 3.950 3.527 3.527 3.527 . 0 0 "[ ]" 1
876 1 55 ILE HA 1 70 TYR HH . . 5.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
877 1 55 ILE HA 1 72 VAL MG2 . . 3.890 2.469 2.469 2.469 . 0 0 "[ ]" 1
878 1 55 ILE HB 1 56 SER H . . 4.450 4.011 4.011 4.011 . 0 0 "[ ]" 1
879 1 55 ILE HB 1 74 LEU MD2 . . 5.660 4.704 4.704 4.704 . 0 0 "[ ]" 1
880 1 55 ILE MD 1 56 SER H . . 5.470 4.299 4.299 4.299 . 0 0 "[ ]" 1
881 1 55 ILE MD 1 72 VAL MG2 . . 7.560 4.052 4.052 4.052 . 0 0 "[ ]" 1
882 1 55 ILE MD 1 74 LEU MD1 . . 7.560 2.156 2.156 2.156 . 0 0 "[ ]" 1
883 1 55 ILE MD 1 74 LEU MD2 . . 7.090 3.391 3.391 3.391 . 0 0 "[ ]" 1
884 1 55 ILE MD 1 80 TYR HB2 . . 5.970 5.633 5.633 5.633 . 0 0 "[ ]" 1
885 1 55 ILE MD 1 80 TYR HE2 . . 6.090 5.117 5.117 5.117 . 0 0 "[ ]" 1
886 1 55 ILE MD 1 80 TYR HH . . 6.530 4.215 4.215 4.215 . 0 0 "[ ]" 1
887 1 55 ILE HG12 1 56 SER H . . 4.170 3.353 3.353 3.353 . 0 0 "[ ]" 1
888 1 55 ILE HG12 1 56 SER HG . . 5.500 5.527 5.527 5.527 0.027 1 0 "[ ]" 1
889 1 55 ILE MG 1 56 SER H . . 6.530 4.221 4.221 4.221 . 0 0 "[ ]" 1
890 1 55 ILE MG 1 74 LEU MD1 . . 7.460 2.105 2.105 2.105 . 0 0 "[ ]" 1
891 1 55 ILE MG 1 74 LEU MD2 . . 7.120 4.237 4.237 4.237 . 0 0 "[ ]" 1
892 1 56 SER H 1 56 SER HB2 . . 4.140 2.416 2.416 2.416 . 0 0 "[ ]" 1
893 1 56 SER H 1 56 SER HB3 . . 3.730 3.569 3.569 3.569 . 0 0 "[ ]" 1
894 1 56 SER H 1 56 SER HG . . 5.280 3.254 3.254 3.254 . 0 0 "[ ]" 1
895 1 56 SER H 1 57 MET H . . 4.880 4.668 4.668 4.668 . 0 0 "[ ]" 1
896 1 56 SER HA 1 57 MET H . . 3.980 2.378 2.378 2.378 . 0 0 "[ ]" 1
897 1 56 SER HB2 1 57 MET H . . 4.230 3.728 3.728 3.728 . 0 0 "[ ]" 1
898 1 56 SER HB3 1 57 MET H . . 4.140 2.622 2.622 2.622 . 0 0 "[ ]" 1
899 1 56 SER HG 1 57 MET H . . 5.500 4.849 4.849 4.849 . 0 0 "[ ]" 1
900 1 57 MET H 1 57 MET HB2 . . 4.380 2.521 2.521 2.521 . 0 0 "[ ]" 1
901 1 57 MET H 1 57 MET HB3 . . 3.890 3.645 3.645 3.645 . 0 0 "[ ]" 1
902 1 57 MET H 1 58 SER H . . 5.500 4.687 4.687 4.687 . 0 0 "[ ]" 1
903 1 57 MET HA 1 58 SER H . . 3.700 2.465 2.465 2.465 . 0 0 "[ ]" 1
904 1 57 MET HB2 1 58 SER H . . 4.540 3.587 3.587 3.587 . 0 0 "[ ]" 1
905 1 57 MET HB2 1 61 ASP HB2 . . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
906 1 57 MET HB2 1 61 ASP HB3 . . 5.500 3.836 3.836 3.836 . 0 0 "[ ]" 1
907 1 57 MET HB3 1 58 SER H . . 5.100 2.475 2.475 2.475 . 0 0 "[ ]" 1
908 1 57 MET HB3 1 61 ASP HB2 . . 5.500 4.185 4.185 4.185 . 0 0 "[ ]" 1
909 1 57 MET HB3 1 61 ASP HB3 . . 5.500 2.501 2.501 2.501 . 0 0 "[ ]" 1
910 1 57 MET ME 1 58 SER H . . 6.530 3.968 3.968 3.968 . 0 0 "[ ]" 1
911 1 57 MET ME 1 61 ASP HB2 . . 5.850 4.006 4.006 4.006 . 0 0 "[ ]" 1
912 1 57 MET ME 1 61 ASP HB3 . . 5.440 2.663 2.663 2.663 . 0 0 "[ ]" 1
913 1 57 MET ME 1 62 LEU HA . . 4.760 2.965 2.965 2.965 . 0 0 "[ ]" 1
914 1 57 MET ME 1 63 LEU H . . 6.530 3.562 3.562 3.562 . 0 0 "[ ]" 1
915 1 57 MET ME 1 70 TYR HB2 . . 6.530 2.581 2.581 2.581 . 0 0 "[ ]" 1
916 1 57 MET ME 1 70 TYR HB3 . . 6.530 3.868 3.868 3.868 . 0 0 "[ ]" 1
917 1 57 MET ME 1 70 TYR HD2 . . 5.350 4.274 4.274 4.274 . 0 0 "[ ]" 1
918 1 58 SER H 1 58 SER HB2 . . 4.230 2.716 2.716 2.716 . 0 0 "[ ]" 1
919 1 58 SER H 1 58 SER HB3 . . 4.260 3.571 3.571 3.571 . 0 0 "[ ]" 1
920 1 58 SER H 1 61 ASP HB2 . . 4.690 3.563 3.563 3.563 . 0 0 "[ ]" 1
921 1 58 SER H 1 61 ASP HB3 . . 4.940 2.741 2.741 2.741 . 0 0 "[ ]" 1
922 1 58 SER HA 1 59 GLU H . . 3.240 2.382 2.382 2.382 . 0 0 "[ ]" 1
923 1 58 SER HB2 1 59 GLU H . . 4.600 3.560 3.560 3.560 . 0 0 "[ ]" 1
924 1 58 SER HB3 1 59 GLU H . . 4.790 2.801 2.801 2.801 . 0 0 "[ ]" 1
925 1 58 SER HB3 1 60 GLU H . . 5.500 3.611 3.611 3.611 . 0 0 "[ ]" 1
926 1 58 SER HB3 1 61 ASP H . . 5.500 4.400 4.400 4.400 . 0 0 "[ ]" 1
927 1 59 GLU H 1 59 GLU HB2 . . 3.420 2.344 2.344 2.344 . 0 0 "[ ]" 1
928 1 59 GLU H 1 59 GLU HG2 . . 5.500 4.541 4.541 4.541 . 0 0 "[ ]" 1
929 1 59 GLU H 1 59 GLU HG3 . . 5.500 4.314 4.314 4.314 . 0 0 "[ ]" 1
930 1 59 GLU H 1 60 GLU H . . 4.420 2.940 2.940 2.940 . 0 0 "[ ]" 1
931 1 59 GLU HA 1 60 GLU H . . 4.230 3.529 3.529 3.529 . 0 0 "[ ]" 1
932 1 59 GLU HA 1 61 ASP H . . 5.500 4.002 4.002 4.002 . 0 0 "[ ]" 1
933 1 59 GLU HB2 1 60 GLU H . . 4.170 4.071 4.071 4.071 . 0 0 "[ ]" 1
934 1 60 GLU H 1 60 GLU HB2 . . 4.140 2.397 2.397 2.397 . 0 0 "[ ]" 1
935 1 60 GLU H 1 60 GLU HB3 . . 3.860 3.619 3.619 3.619 . 0 0 "[ ]" 1
936 1 60 GLU H 1 60 GLU HG3 . . 4.760 3.348 3.348 3.348 . 0 0 "[ ]" 1
937 1 60 GLU H 1 61 ASP H . . 4.010 2.516 2.516 2.516 . 0 0 "[ ]" 1
938 1 60 GLU HA 1 60 GLU HG2 . . 4.110 2.327 2.327 2.327 . 0 0 "[ ]" 1
939 1 60 GLU HA 1 60 GLU HG3 . . 4.110 2.593 2.593 2.593 . 0 0 "[ ]" 1
940 1 60 GLU HA 1 61 ASP H . . 4.450 3.133 3.133 3.133 . 0 0 "[ ]" 1
941 1 60 GLU HB2 1 61 ASP H . . 5.380 4.090 4.090 4.090 . 0 0 "[ ]" 1
942 1 60 GLU HB3 1 60 GLU HG3 . . 2.830 3.030 3.030 3.030 0.200 1 0 "[ ]" 1
943 1 60 GLU HB3 1 61 ASP H . . 5.070 4.371 4.371 4.371 . 0 0 "[ ]" 1
944 1 60 GLU HG3 1 61 ASP H . . 5.500 4.999 4.999 4.999 . 0 0 "[ ]" 1
945 1 61 ASP H 1 61 ASP HB2 . . 3.860 2.769 2.769 2.769 . 0 0 "[ ]" 1
946 1 61 ASP HA 1 62 LEU H . . 3.210 2.196 2.196 2.196 . 0 0 "[ ]" 1
947 1 61 ASP HB2 1 62 LEU H . . 5.070 4.476 4.476 4.476 . 0 0 "[ ]" 1
948 1 61 ASP HB3 1 62 LEU H . . 4.720 4.286 4.286 4.286 . 0 0 "[ ]" 1
949 1 62 LEU H 1 62 LEU HB2 . . 4.010 2.855 2.855 2.855 . 0 0 "[ ]" 1
950 1 62 LEU H 1 62 LEU HG . . 5.500 3.863 3.863 3.863 . 0 0 "[ ]" 1
951 1 62 LEU H 1 63 LEU H . . 5.500 4.387 4.387 4.387 . 0 0 "[ ]" 1
952 1 62 LEU HA 1 62 LEU QD . . 3.990 3.077 3.077 3.077 . 0 0 "[ ]" 1
953 1 62 LEU HA 1 63 LEU H . . 4.040 2.197 2.197 2.197 . 0 0 "[ ]" 1
954 1 62 LEU HB2 1 63 LEU H . . 5.250 3.855 3.855 3.855 . 0 0 "[ ]" 1
955 1 62 LEU HB2 1 64 ASN HD21 . . 5.500 4.928 4.928 4.928 . 0 0 "[ ]" 1
956 1 62 LEU HB3 1 63 LEU H . . 4.570 2.667 2.667 2.667 . 0 0 "[ ]" 1
957 1 62 LEU QD 1 63 LEU H . . 6.530 3.810 3.810 3.810 . 0 0 "[ ]" 1
958 1 62 LEU QD 1 85 SER HB2 . . 4.980 5.298 5.298 5.298 0.318 1 0 "[ ]" 1
959 1 62 LEU QD 1 86 PRO HB2 . . 5.540 4.557 4.557 4.557 . 0 0 "[ ]" 1
960 1 62 LEU QD 1 86 PRO HB3 . . 4.260 4.343 4.343 4.343 0.083 1 0 "[ ]" 1
961 1 62 LEU QD 1 86 PRO QD . . 4.820 3.024 3.024 3.024 . 0 0 "[ ]" 1
962 1 62 LEU QD 1 86 PRO HG2 . . 5.100 2.732 2.732 2.732 . 0 0 "[ ]" 1
963 1 62 LEU HG 1 63 LEU H . . 5.500 4.164 4.164 4.164 . 0 0 "[ ]" 1
964 1 63 LEU H 1 63 LEU HB2 . . 4.290 2.467 2.467 2.467 . 0 0 "[ ]" 1
965 1 63 LEU H 1 63 LEU HG . . 5.500 2.204 2.204 2.204 . 0 0 "[ ]" 1
966 1 63 LEU HA 1 63 LEU MD2 . . 3.430 2.209 2.209 2.209 . 0 0 "[ ]" 1
967 1 63 LEU HA 1 64 ASN H . . 3.580 2.286 2.286 2.286 . 0 0 "[ ]" 1
968 1 63 LEU HA 1 68 GLU HB2 . . 5.500 3.196 3.196 3.196 . 0 0 "[ ]" 1
969 1 63 LEU HB3 1 64 ASN H . . 5.380 3.764 3.764 3.764 . 0 0 "[ ]" 1
970 1 63 LEU MD1 1 68 GLU HB2 . . 6.280 3.578 3.578 3.578 . 0 0 "[ ]" 1
971 1 63 LEU MD1 1 69 THR HA . . 5.100 2.533 2.533 2.533 . 0 0 "[ ]" 1
972 1 63 LEU MD1 1 70 TYR H . . 6.190 3.095 3.095 3.095 . 0 0 "[ ]" 1
973 1 63 LEU MD1 1 70 TYR HA . . 5.130 4.288 4.288 4.288 . 0 0 "[ ]" 1
974 1 63 LEU MD1 1 70 TYR HB2 . . 5.780 2.798 2.798 2.798 . 0 0 "[ ]" 1
975 1 63 LEU MD1 1 70 TYR HB3 . . 5.970 2.801 2.801 2.801 . 0 0 "[ ]" 1
976 1 63 LEU MD2 1 68 GLU HB2 . . 5.190 2.975 2.975 2.975 . 0 0 "[ ]" 1
977 1 63 LEU MD2 1 69 THR H . . 6.530 2.907 2.907 2.907 . 0 0 "[ ]" 1
978 1 63 LEU MD2 1 69 THR HA . . 6.370 3.288 3.288 3.288 . 0 0 "[ ]" 1
979 1 63 LEU MD2 1 70 TYR HB2 . . 5.720 2.441 2.441 2.441 . 0 0 "[ ]" 1
980 1 63 LEU MD2 1 70 TYR HB3 . . 6.530 3.614 3.614 3.614 . 0 0 "[ ]" 1
981 1 64 ASN H 1 64 ASN HB2 . . 4.040 3.795 3.795 3.795 . 0 0 "[ ]" 1
982 1 64 ASN H 1 64 ASN HD21 . . 5.500 3.570 3.570 3.570 . 0 0 "[ ]" 1
983 1 64 ASN H 1 64 ASN HD22 . . 5.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
984 1 64 ASN H 1 65 ALA H . . 4.570 2.151 2.151 2.151 . 0 0 "[ ]" 1
985 1 64 ASN HA 1 65 ALA H . . 5.070 3.469 3.469 3.469 . 0 0 "[ ]" 1
986 1 64 ASN HB2 1 65 ALA H . . 4.820 4.251 4.251 4.251 . 0 0 "[ ]" 1
987 1 64 ASN HB3 1 65 ALA H . . 5.500 4.229 4.229 4.229 . 0 0 "[ ]" 1
988 1 65 ALA HA 1 66 PRO HA . . 5.500 4.362 4.362 4.362 . 0 0 "[ ]" 1
989 1 65 ALA HA 1 66 PRO HD2 . . 4.070 2.844 2.844 2.844 . 0 0 "[ ]" 1
990 1 65 ALA HA 1 66 PRO HD3 . . 4.010 2.158 2.158 2.158 . 0 0 "[ ]" 1
991 1 65 ALA HA 1 66 PRO HG2 . . 5.500 4.726 4.726 4.726 . 0 0 "[ ]" 1
992 1 65 ALA HA 1 66 PRO HG3 . . 5.500 4.352 4.352 4.352 . 0 0 "[ ]" 1
993 1 65 ALA MB 1 66 PRO HB3 . . 6.530 5.272 5.272 5.272 . 0 0 "[ ]" 1
994 1 65 ALA MB 1 66 PRO HD2 . . 4.790 2.122 2.122 2.122 . 0 0 "[ ]" 1
995 1 65 ALA MB 1 66 PRO HD3 . . 5.320 2.942 2.942 2.942 . 0 0 "[ ]" 1
996 1 65 ALA MB 1 68 GLU HG2 . . 5.850 3.318 3.318 3.318 . 0 0 "[ ]" 1
997 1 66 PRO HA 1 67 GLY H . . 3.550 3.656 3.656 3.656 0.106 1 0 "[ ]" 1
998 1 66 PRO HA 1 68 GLU H . . 5.250 4.280 4.280 4.280 . 0 0 "[ ]" 1
999 1 66 PRO HB2 1 67 GLY H . . 5.220 2.356 2.356 2.356 . 0 0 "[ ]" 1
1000 1 66 PRO HB3 1 67 GLY H . . 5.250 3.788 3.788 3.788 . 0 0 "[ ]" 1
1001 1 67 GLY H 1 68 GLU H . . 4.850 2.873 2.873 2.873 . 0 0 "[ ]" 1
1002 1 67 GLY H 1 68 GLU HB2 . . 5.500 5.235 5.235 5.235 . 0 0 "[ ]" 1
1003 1 67 GLY HA2 1 68 GLU H . . 5.100 3.325 3.325 3.325 . 0 0 "[ ]" 1
1004 1 67 GLY HA3 1 68 GLU H . . 4.880 3.405 3.405 3.405 . 0 0 "[ ]" 1
1005 1 68 GLU H 1 68 GLU HB2 . . 3.580 2.489 2.489 2.489 . 0 0 "[ ]" 1
1006 1 68 GLU H 1 68 GLU HG2 . . 5.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
1007 1 68 GLU H 1 68 GLU HG3 . . 5.500 2.300 2.300 2.300 . 0 0 "[ ]" 1
1008 1 68 GLU H 1 69 THR H . . 5.410 4.730 4.730 4.730 . 0 0 "[ ]" 1
1009 1 68 GLU HA 1 69 THR H . . 3.080 2.325 2.325 2.325 . 0 0 "[ ]" 1
1010 1 68 GLU HB2 1 69 THR H . . 3.580 3.865 3.865 3.865 0.285 1 0 "[ ]" 1
1011 1 68 GLU HG2 1 69 THR H . . 5.500 4.139 4.139 4.139 . 0 0 "[ ]" 1
1012 1 68 GLU HG3 1 69 THR H . . 5.500 5.072 5.072 5.072 . 0 0 "[ ]" 1
1013 1 69 THR H 1 70 TYR H . . 5.380 4.517 4.517 4.517 . 0 0 "[ ]" 1
1014 1 69 THR HA 1 69 THR HB . . 3.050 2.401 2.401 2.401 . 0 0 "[ ]" 1
1015 1 69 THR HA 1 69 THR MG . . 3.460 2.528 2.528 2.528 . 0 0 "[ ]" 1
1016 1 69 THR HA 1 70 TYR H . . 3.050 2.339 2.339 2.339 . 0 0 "[ ]" 1
1017 1 69 THR HB 1 70 TYR H . . 3.520 2.449 2.449 2.449 . 0 0 "[ ]" 1
1018 1 69 THR MG 1 70 TYR H . . 5.260 3.863 3.863 3.863 . 0 0 "[ ]" 1
1019 1 69 THR MG 1 71 LYS HE2 . . 6.340 4.660 4.660 4.660 . 0 0 "[ ]" 1
1020 1 70 TYR H 1 70 TYR HB3 . . 4.170 2.708 2.708 2.708 . 0 0 "[ ]" 1
1021 1 70 TYR H 1 70 TYR HD2 . . 5.500 4.871 4.871 4.871 . 0 0 "[ ]" 1
1022 1 70 TYR H 1 71 LYS H . . 5.500 4.391 4.391 4.391 . 0 0 "[ ]" 1
1023 1 70 TYR H 1 71 LYS HG2 . . 5.500 4.233 4.233 4.233 . 0 0 "[ ]" 1
1024 1 70 TYR HA 1 71 LYS H . . 3.670 2.411 2.411 2.411 . 0 0 "[ ]" 1
1025 1 70 TYR HB2 1 70 TYR HE2 . . 5.500 5.272 5.272 5.272 . 0 0 "[ ]" 1
1026 1 70 TYR HB2 1 71 LYS H . . 5.100 4.087 4.087 4.087 . 0 0 "[ ]" 1
1027 1 70 TYR HB3 1 70 TYR HE2 . . 5.500 4.631 4.631 4.631 . 0 0 "[ ]" 1
1028 1 70 TYR HB3 1 71 LYS H . . 5.340 4.010 4.010 4.010 . 0 0 "[ ]" 1
1029 1 70 TYR HD2 1 71 LYS H . . 5.500 4.625 4.625 4.625 . 0 0 "[ ]" 1
1030 1 70 TYR HE2 1 72 VAL HB . . 5.070 3.942 3.942 3.942 . 0 0 "[ ]" 1
1031 1 70 TYR HH 1 72 VAL MG1 . . 6.530 4.118 4.118 4.118 . 0 0 "[ ]" 1
1032 1 70 TYR HH 1 72 VAL MG2 . . 6.530 3.544 3.544 3.544 . 0 0 "[ ]" 1
1033 1 71 LYS H 1 71 LYS HB2 . . 3.790 2.798 2.798 2.798 . 0 0 "[ ]" 1
1034 1 71 LYS H 1 71 LYS HG2 . . 5.500 3.992 3.992 3.992 . 0 0 "[ ]" 1
1035 1 71 LYS H 1 71 LYS HG3 . . 5.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
1036 1 71 LYS H 1 72 VAL H . . 5.500 4.457 4.457 4.457 . 0 0 "[ ]" 1
1037 1 71 LYS HA 1 71 LYS HD2 . . 5.500 4.201 4.201 4.201 . 0 0 "[ ]" 1
1038 1 71 LYS HA 1 72 VAL H . . 2.930 2.242 2.242 2.242 . 0 0 "[ ]" 1
1039 1 71 LYS HA 1 72 VAL MG1 . . 5.540 3.807 3.807 3.807 . 0 0 "[ ]" 1
1040 1 71 LYS HB2 1 71 LYS HD2 . . 3.730 3.017 3.017 3.017 . 0 0 "[ ]" 1
1041 1 71 LYS HB2 1 71 LYS HE2 . . 4.350 3.642 3.642 3.642 . 0 0 "[ ]" 1
1042 1 71 LYS HB2 1 71 LYS HE3 . . 4.660 2.462 2.462 2.462 . 0 0 "[ ]" 1
1043 1 71 LYS HB2 1 72 VAL H . . 4.320 3.972 3.972 3.972 . 0 0 "[ ]" 1
1044 1 71 LYS HG3 1 72 VAL H . . 5.500 5.150 5.150 5.150 . 0 0 "[ ]" 1
1045 1 72 VAL H 1 73 THR H . . 5.500 4.269 4.269 4.269 . 0 0 "[ ]" 1
1046 1 72 VAL HA 1 72 VAL HB . . 3.140 2.485 2.485 2.485 . 0 0 "[ ]" 1
1047 1 72 VAL HA 1 73 THR H . . 3.300 2.164 2.164 2.164 . 0 0 "[ ]" 1
1048 1 72 VAL HB 1 73 THR H . . 4.660 4.288 4.288 4.288 . 0 0 "[ ]" 1
1049 1 72 VAL MG1 1 73 THR H . . 6.530 3.994 3.994 3.994 . 0 0 "[ ]" 1
1050 1 72 VAL MG1 1 74 LEU MD1 . . 7.560 2.417 2.417 2.417 . 0 0 "[ ]" 1
1051 1 72 VAL MG1 1 74 LEU MD2 . . 7.560 3.576 3.576 3.576 . 0 0 "[ ]" 1
1052 1 72 VAL MG2 1 73 THR H . . 5.910 2.739 2.739 2.739 . 0 0 "[ ]" 1
1053 1 72 VAL MG2 1 74 LEU MD1 . . 7.560 2.493 2.493 2.493 . 0 0 "[ ]" 1
1054 1 72 VAL MG2 1 74 LEU MD2 . . 7.560 4.414 4.414 4.414 . 0 0 "[ ]" 1
1055 1 73 THR H 1 73 THR HB . . 3.890 2.585 2.585 2.585 . 0 0 "[ ]" 1
1056 1 73 THR H 1 74 LEU H . . 4.940 4.546 4.546 4.546 . 0 0 "[ ]" 1
1057 1 73 THR HA 1 73 THR MG . . 3.680 2.312 2.312 2.312 . 0 0 "[ ]" 1
1058 1 73 THR HA 1 74 LEU H . . 3.210 2.239 2.239 2.239 . 0 0 "[ ]" 1
1059 1 73 THR HB 1 74 LEU H . . 5.040 4.129 4.129 4.129 . 0 0 "[ ]" 1
1060 1 73 THR MG 1 74 LEU H . . 5.630 2.670 2.670 2.670 . 0 0 "[ ]" 1
1061 1 73 THR MG 1 75 THR HA . . 6.530 5.124 5.124 5.124 . 0 0 "[ ]" 1
1062 1 74 LEU H 1 74 LEU HB2 . . 3.760 2.705 2.705 2.705 . 0 0 "[ ]" 1
1063 1 74 LEU H 1 74 LEU HB3 . . 3.950 2.826 2.826 2.826 . 0 0 "[ ]" 1
1064 1 74 LEU H 1 74 LEU HG . . 5.500 4.658 4.658 4.658 . 0 0 "[ ]" 1
1065 1 74 LEU HA 1 74 LEU MD2 . . 3.580 3.820 3.820 3.820 0.240 1 0 "[ ]" 1
1066 1 74 LEU HA 1 74 LEU HG . . 4.140 2.635 2.635 2.635 . 0 0 "[ ]" 1
1067 1 74 LEU HA 1 75 THR H . . 3.550 2.402 2.402 2.402 . 0 0 "[ ]" 1
1068 1 74 LEU HA 1 75 THR MG . . 5.100 3.584 3.584 3.584 . 0 0 "[ ]" 1
1069 1 74 LEU HB2 1 98 VAL QG . . 5.440 4.412 4.412 4.412 . 0 0 "[ ]" 1
1070 1 74 LEU HB3 1 74 LEU HG . . 3.020 2.632 2.632 2.632 . 0 0 "[ ]" 1
1071 1 74 LEU HB3 1 75 THR H . . 4.690 3.617 3.617 3.617 . 0 0 "[ ]" 1
1072 1 74 LEU HB3 1 80 TYR HH . . 5.500 5.651 5.651 5.651 0.151 1 0 "[ ]" 1
1073 1 74 LEU HB3 1 98 VAL QG . . 4.050 3.137 3.137 3.137 . 0 0 "[ ]" 1
1074 1 74 LEU MD1 1 80 TYR HB2 . . 6.530 5.322 5.322 5.322 . 0 0 "[ ]" 1
1075 1 74 LEU MD1 1 80 TYR HD1 . . 5.570 4.236 4.236 4.236 . 0 0 "[ ]" 1
1076 1 74 LEU MD1 1 80 TYR HE2 . . 6.530 4.563 4.563 4.563 . 0 0 "[ ]" 1
1077 1 74 LEU MD1 1 80 TYR HH . . 6.530 4.050 4.050 4.050 . 0 0 "[ ]" 1
1078 1 74 LEU MD1 1 96 VAL MG2 . . 7.560 4.757 4.757 4.757 . 0 0 "[ ]" 1
1079 1 74 LEU MD1 1 98 VAL QG . . 7.560 4.135 4.135 4.135 . 0 0 "[ ]" 1
1080 1 74 LEU MD2 1 75 THR H . . 6.530 3.804 3.804 3.804 . 0 0 "[ ]" 1
1081 1 74 LEU MD2 1 80 TYR HE2 . . 6.530 3.253 3.253 3.253 . 0 0 "[ ]" 1
1082 1 74 LEU MD2 1 80 TYR HH . . 6.530 3.893 3.893 3.893 . 0 0 "[ ]" 1
1083 1 74 LEU HG 1 75 THR H . . 5.500 2.160 2.160 2.160 . 0 0 "[ ]" 1
1084 1 75 THR H 1 76 GLU H . . 4.040 4.199 4.199 4.199 0.159 1 0 "[ ]" 1
1085 1 75 THR HA 1 75 THR HB . . 3.020 2.525 2.525 2.525 . 0 0 "[ ]" 1
1086 1 75 THR HA 1 76 GLU H . . 5.500 2.407 2.407 2.407 . 0 0 "[ ]" 1
1087 1 75 THR HA 1 98 VAL QG . . 4.880 2.764 2.764 2.764 . 0 0 "[ ]" 1
1088 1 75 THR HB 1 76 GLU H . . 4.540 2.062 2.062 2.062 . 0 0 "[ ]" 1
1089 1 75 THR MG 1 76 GLU H . . 6.530 3.505 3.505 3.505 . 0 0 "[ ]" 1
1090 1 76 GLU H 1 76 GLU HB3 . . 4.010 4.178 4.178 4.178 0.168 1 0 "[ ]" 1
1091 1 76 GLU H 1 76 GLU HG2 . . 5.500 3.227 3.227 3.227 . 0 0 "[ ]" 1
1092 1 76 GLU H 1 76 GLU HG3 . . 5.500 4.673 4.673 4.673 . 0 0 "[ ]" 1
1093 1 76 GLU H 1 80 TYR HH . . 5.500 4.710 4.710 4.710 . 0 0 "[ ]" 1
1094 1 76 GLU HA 1 76 GLU HB3 . . 3.050 2.430 2.430 2.430 . 0 0 "[ ]" 1
1095 1 76 GLU HA 1 77 LYS H . . 3.080 2.080 2.080 2.080 . 0 0 "[ ]" 1
1096 1 76 GLU HA 1 80 TYR HH . . 5.500 4.875 4.875 4.875 . 0 0 "[ ]" 1
1097 1 76 GLU HB2 1 77 LYS H . . 4.910 4.238 4.238 4.238 . 0 0 "[ ]" 1
1098 1 76 GLU HB2 1 80 TYR HH . . 5.410 2.273 2.273 2.273 . 0 0 "[ ]" 1
1099 1 76 GLU HB3 1 77 LYS H . . 4.880 3.296 3.296 3.296 . 0 0 "[ ]" 1
1100 1 76 GLU HB3 1 80 TYR HH . . 5.160 3.977 3.977 3.977 . 0 0 "[ ]" 1
1101 1 76 GLU HG2 1 77 LYS H . . 5.500 5.121 5.121 5.121 . 0 0 "[ ]" 1
1102 1 76 GLU HG2 1 80 TYR HH . . 5.500 3.857 3.857 3.857 . 0 0 "[ ]" 1
1103 1 76 GLU HG3 1 80 TYR HH . . 5.500 4.125 4.125 4.125 . 0 0 "[ ]" 1
1104 1 77 LYS H 1 77 LYS QB . . 3.670 2.417 2.417 2.417 . 0 0 "[ ]" 1
1105 1 77 LYS H 1 77 LYS HD2 . . 4.570 4.644 4.644 4.644 0.074 1 0 "[ ]" 1
1106 1 77 LYS H 1 77 LYS HG2 . . 5.500 3.083 3.083 3.083 . 0 0 "[ ]" 1
1107 1 77 LYS HA 1 77 LYS HD2 . . 5.280 4.527 4.527 4.527 . 0 0 "[ ]" 1
1108 1 77 LYS HA 1 77 LYS HG2 . . 4.200 2.270 2.270 2.270 . 0 0 "[ ]" 1
1109 1 77 LYS HA 1 77 LYS HG3 . . 3.790 3.390 3.390 3.390 . 0 0 "[ ]" 1
1110 1 77 LYS HA 1 78 GLY H . . 3.140 2.137 2.137 2.137 . 0 0 "[ ]" 1
1111 1 77 LYS HA 1 98 VAL HB . . 3.550 2.160 2.160 2.160 . 0 0 "[ ]" 1
1112 1 77 LYS HA 1 98 VAL QG . . 6.530 2.464 2.464 2.464 . 0 0 "[ ]" 1
1113 1 77 LYS QB 1 77 LYS HD2 . . 3.330 2.549 2.549 2.549 . 0 0 "[ ]" 1
1114 1 77 LYS QB 1 77 LYS HE2 . . 3.700 3.925 3.925 3.925 0.225 1 0 "[ ]" 1
1115 1 77 LYS QB 1 78 GLY H . . 4.140 3.632 3.632 3.632 . 0 0 "[ ]" 1
1116 1 77 LYS QB 1 99 ASN HA . . 5.500 3.646 3.646 3.646 . 0 0 "[ ]" 1
1117 1 77 LYS HG2 1 78 GLY H . . 5.500 4.402 4.402 4.402 . 0 0 "[ ]" 1
1118 1 77 LYS HG2 1 99 ASN H . . 5.500 5.150 5.150 5.150 . 0 0 "[ ]" 1
1119 1 77 LYS HG2 1 99 ASN HA . . 5.380 4.179 4.179 4.179 . 0 0 "[ ]" 1
1120 1 77 LYS HG3 1 78 GLY H . . 5.340 5.421 5.421 5.421 0.081 1 0 "[ ]" 1
1121 1 78 GLY H 1 79 THR H . . 5.500 4.435 4.435 4.435 . 0 0 "[ ]" 1
1122 1 78 GLY H 1 98 VAL H . . 4.320 2.714 2.714 2.714 . 0 0 "[ ]" 1
1123 1 78 GLY H 1 98 VAL HB . . 4.570 2.106 2.106 2.106 . 0 0 "[ ]" 1
1124 1 78 GLY HA2 1 79 THR H . . 3.760 2.525 2.525 2.525 . 0 0 "[ ]" 1
1125 1 78 GLY HA3 1 79 THR H . . 3.520 2.690 2.690 2.690 . 0 0 "[ ]" 1
1126 1 79 THR H 1 79 THR HB . . 4.110 2.914 2.914 2.914 . 0 0 "[ ]" 1
1127 1 79 THR H 1 80 TYR H . . 5.500 4.636 4.636 4.636 . 0 0 "[ ]" 1
1128 1 79 THR HA 1 80 TYR H . . 3.020 2.224 2.224 2.224 . 0 0 "[ ]" 1
1129 1 79 THR HA 1 97 THR HA . . 2.960 2.658 2.658 2.658 . 0 0 "[ ]" 1
1130 1 79 THR HA 1 97 THR MG . . 4.850 2.362 2.362 2.362 . 0 0 "[ ]" 1
1131 1 79 THR HA 1 98 VAL H . . 4.040 3.939 3.939 3.939 . 0 0 "[ ]" 1
1132 1 79 THR HB 1 80 TYR H . . 5.100 3.625 3.625 3.625 . 0 0 "[ ]" 1
1133 1 79 THR MG 1 80 TYR H . . 6.250 2.502 2.502 2.502 . 0 0 "[ ]" 1
1134 1 79 THR MG 1 97 THR HA . . 4.790 4.000 4.000 4.000 . 0 0 "[ ]" 1
1135 1 80 TYR H 1 80 TYR HB2 . . 4.320 2.605 2.605 2.605 . 0 0 "[ ]" 1
1136 1 80 TYR H 1 80 TYR HD1 . . 5.500 5.094 5.094 5.094 . 0 0 "[ ]" 1
1137 1 80 TYR H 1 81 LYS HA . . 5.130 4.796 4.796 4.796 . 0 0 "[ ]" 1
1138 1 80 TYR H 1 96 VAL H . . 4.540 3.923 3.923 3.923 . 0 0 "[ ]" 1
1139 1 80 TYR H 1 96 VAL MG1 . . 6.530 3.539 3.539 3.539 . 0 0 "[ ]" 1
1140 1 80 TYR H 1 97 THR HA . . 4.110 2.741 2.741 2.741 . 0 0 "[ ]" 1
1141 1 80 TYR HA 1 81 LYS H . . 3.270 2.315 2.315 2.315 . 0 0 "[ ]" 1
1142 1 80 TYR HA 1 96 VAL MG1 . . 5.750 3.440 3.440 3.440 . 0 0 "[ ]" 1
1143 1 80 TYR HB2 1 81 LYS H . . 5.220 4.659 4.659 4.659 . 0 0 "[ ]" 1
1144 1 80 TYR HB2 1 82 PHE QD . . 5.500 4.382 4.382 4.382 . 0 0 "[ ]" 1
1145 1 80 TYR HB2 1 96 VAL H . . 5.500 3.860 3.860 3.860 . 0 0 "[ ]" 1
1146 1 80 TYR HB2 1 96 VAL MG1 . . 3.430 1.940 1.940 1.940 . 0 0 "[ ]" 1
1147 1 80 TYR HB3 1 96 VAL MG1 . . 4.080 1.855 1.855 1.855 . 0 0 "[ ]" 1
1148 1 80 TYR HE2 1 98 VAL QG . . 5.500 2.218 2.218 2.218 . 0 0 "[ ]" 1
1149 1 80 TYR HH 1 98 VAL QG . . 6.530 3.475 3.475 3.475 . 0 0 "[ ]" 1
1150 1 81 LYS H 1 81 LYS HB2 . . 3.790 2.366 2.366 2.366 . 0 0 "[ ]" 1
1151 1 81 LYS H 1 81 LYS HB3 . . 3.790 3.629 3.629 3.629 . 0 0 "[ ]" 1
1152 1 81 LYS H 1 81 LYS HD2 . . 5.500 4.155 4.155 4.155 . 0 0 "[ ]" 1
1153 1 81 LYS H 1 81 LYS HD3 . . 5.500 5.048 5.048 5.048 . 0 0 "[ ]" 1
1154 1 81 LYS H 1 81 LYS HG3 . . 5.340 2.652 2.652 2.652 . 0 0 "[ ]" 1
1155 1 81 LYS HA 1 81 LYS HD2 . . 5.500 4.511 4.511 4.511 . 0 0 "[ ]" 1
1156 1 81 LYS HA 1 81 LYS HD3 . . 5.250 4.270 4.270 4.270 . 0 0 "[ ]" 1
1157 1 81 LYS HA 1 82 PHE H . . 3.110 2.052 2.052 2.052 . 0 0 "[ ]" 1
1158 1 81 LYS HA 1 82 PHE QD . . 5.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
1159 1 81 LYS HB2 1 81 LYS HD3 . . 3.980 3.218 3.218 3.218 . 0 0 "[ ]" 1
1160 1 81 LYS HB2 1 81 LYS HE2 . . 5.160 4.748 4.748 4.748 . 0 0 "[ ]" 1
1161 1 81 LYS HB2 1 82 PHE H . . 5.040 4.426 4.426 4.426 . 0 0 "[ ]" 1
1162 1 81 LYS HB3 1 82 PHE H . . 5.500 3.519 3.519 3.519 . 0 0 "[ ]" 1
1163 1 81 LYS HD3 1 82 PHE H . . 5.500 5.674 5.674 5.674 0.174 1 0 "[ ]" 1
1164 1 81 LYS HG3 1 82 PHE H . . 5.500 4.846 4.846 4.846 . 0 0 "[ ]" 1
1165 1 82 PHE H 1 82 PHE QD . . 5.500 2.769 2.769 2.769 . 0 0 "[ ]" 1
1166 1 82 PHE H 1 83 TYR H . . 5.500 4.231 4.231 4.231 . 0 0 "[ ]" 1
1167 1 82 PHE H 1 94 GLY H . . 4.820 3.230 3.230 3.230 . 0 0 "[ ]" 1
1168 1 82 PHE H 1 96 VAL H . . 5.500 3.689 3.689 3.689 . 0 0 "[ ]" 1
1169 1 82 PHE HA 1 83 TYR H . . 5.500 2.064 2.064 2.064 . 0 0 "[ ]" 1
1170 1 82 PHE HB2 1 83 TYR H . . 4.230 2.748 2.748 2.748 . 0 0 "[ ]" 1
1171 1 82 PHE HB3 1 83 TYR H . . 5.040 3.732 3.732 3.732 . 0 0 "[ ]" 1
1172 1 82 PHE QD 1 83 TYR H . . 5.500 4.420 4.420 4.420 . 0 0 "[ ]" 1
1173 1 82 PHE QD 1 95 LYS HA . . 5.500 4.404 4.404 4.404 . 0 0 "[ ]" 1
1174 1 82 PHE QD 1 96 VAL H . . 5.500 3.269 3.269 3.269 . 0 0 "[ ]" 1
1175 1 82 PHE QD 1 96 VAL HB . . 5.500 3.957 3.957 3.957 . 0 0 "[ ]" 1
1176 1 82 PHE QD 1 96 VAL MG1 . . 5.540 2.343 2.343 2.343 . 0 0 "[ ]" 1
1177 1 82 PHE HE2 1 96 VAL HB . . 5.500 4.570 4.570 4.570 . 0 0 "[ ]" 1
1178 1 82 PHE HE2 1 96 VAL MG1 . . 6.530 4.647 4.647 4.647 . 0 0 "[ ]" 1
1179 1 82 PHE HZ 1 95 LYS H . . 5.500 4.299 4.299 4.299 . 0 0 "[ ]" 1
1180 1 82 PHE HZ 1 95 LYS HA . . 5.500 4.806 4.806 4.806 . 0 0 "[ ]" 1
1181 1 82 PHE HZ 1 96 VAL HA . . 5.500 4.418 4.418 4.418 . 0 0 "[ ]" 1
1182 1 82 PHE HZ 1 96 VAL HB . . 5.160 2.846 2.846 2.846 . 0 0 "[ ]" 1
1183 1 82 PHE HZ 1 96 VAL MG1 . . 5.910 3.765 3.765 3.765 . 0 0 "[ ]" 1
1184 1 83 TYR H 1 83 TYR HD1 . . 5.500 2.396 2.396 2.396 . 0 0 "[ ]" 1
1185 1 83 TYR HA 1 84 CYS H . . 4.110 2.474 2.474 2.474 . 0 0 "[ ]" 1
1186 1 83 TYR HA 1 93 VAL HA . . 3.110 2.409 2.409 2.409 . 0 0 "[ ]" 1
1187 1 83 TYR HA 1 93 VAL MG1 . . 5.230 3.711 3.711 3.711 . 0 0 "[ ]" 1
1188 1 83 TYR HA 1 93 VAL MG2 . . 5.630 4.114 4.114 4.114 . 0 0 "[ ]" 1
1189 1 83 TYR HA 1 94 GLY H . . 4.660 2.877 2.877 2.877 . 0 0 "[ ]" 1
1190 1 83 TYR HB2 1 83 TYR HE1 . . 5.500 5.201 5.201 5.201 . 0 0 "[ ]" 1
1191 1 83 TYR HB2 1 88 GLN HB3 . . 5.500 2.290 2.290 2.290 . 0 0 "[ ]" 1
1192 1 83 TYR HB2 1 88 GLN HG2 . . 5.500 4.137 4.137 4.137 . 0 0 "[ ]" 1
1193 1 83 TYR HB2 1 93 VAL HA . . 5.500 2.773 2.773 2.773 . 0 0 "[ ]" 1
1194 1 83 TYR HB2 1 93 VAL HB . . 5.500 5.192 5.192 5.192 . 0 0 "[ ]" 1
1195 1 83 TYR HB2 1 93 VAL MG1 . . 4.450 3.316 3.316 3.316 . 0 0 "[ ]" 1
1196 1 83 TYR HB2 1 93 VAL MG2 . . 6.530 2.747 2.747 2.747 . 0 0 "[ ]" 1
1197 1 83 TYR HB3 1 83 TYR HE1 . . 5.500 5.425 5.425 5.425 . 0 0 "[ ]" 1
1198 1 83 TYR HB3 1 84 CYS H . . 5.500 3.620 3.620 3.620 . 0 0 "[ ]" 1
1199 1 83 TYR HB3 1 88 GLN HB3 . . 5.500 3.896 3.896 3.896 . 0 0 "[ ]" 1
1200 1 83 TYR HB3 1 88 GLN HG2 . . 5.500 5.369 5.369 5.369 . 0 0 "[ ]" 1
1201 1 83 TYR HB3 1 93 VAL HA . . 5.280 2.165 2.165 2.165 . 0 0 "[ ]" 1
1202 1 83 TYR HB3 1 93 VAL HB . . 5.500 4.397 4.397 4.397 . 0 0 "[ ]" 1
1203 1 83 TYR HB3 1 93 VAL MG1 . . 5.630 2.087 2.087 2.087 . 0 0 "[ ]" 1
1204 1 83 TYR HB3 1 93 VAL MG2 . . 6.530 2.739 2.739 2.739 . 0 0 "[ ]" 1
1205 1 83 TYR HD1 1 84 CYS H . . 5.500 3.878 3.878 3.878 . 0 0 "[ ]" 1
1206 1 83 TYR HD1 1 84 CYS HA . . 5.500 3.950 3.950 3.950 . 0 0 "[ ]" 1
1207 1 83 TYR HD1 1 85 SER H . . 5.500 3.885 3.885 3.885 . 0 0 "[ ]" 1
1208 1 83 TYR HD1 1 85 SER HA . . 4.380 3.914 3.914 3.914 . 0 0 "[ ]" 1
1209 1 83 TYR HD1 1 85 SER HB2 . . 5.500 5.768 5.768 5.768 0.268 1 0 "[ ]" 1
1210 1 83 TYR HD1 1 88 GLN HB2 . . 5.500 4.309 4.309 4.309 . 0 0 "[ ]" 1
1211 1 83 TYR HD1 1 88 GLN HG2 . . 5.070 4.072 4.072 4.072 . 0 0 "[ ]" 1
1212 1 83 TYR HD1 1 93 VAL MG1 . . 6.530 5.199 5.199 5.199 . 0 0 "[ ]" 1
1213 1 83 TYR HD1 1 93 VAL MG2 . . 6.530 5.450 5.450 5.450 . 0 0 "[ ]" 1
1214 1 83 TYR HE1 1 85 SER H . . 5.500 5.114 5.114 5.114 . 0 0 "[ ]" 1
1215 1 83 TYR HE1 1 85 SER HB2 . . 5.500 5.524 5.524 5.524 0.024 1 0 "[ ]" 1
1216 1 83 TYR HE1 1 85 SER HB3 . . 5.500 3.883 3.883 3.883 . 0 0 "[ ]" 1
1217 1 83 TYR HE1 1 88 GLN HB2 . . 5.500 5.279 5.279 5.279 . 0 0 "[ ]" 1
1218 1 83 TYR HE1 1 88 GLN HB3 . . 5.500 4.958 4.958 4.958 . 0 0 "[ ]" 1
1219 1 83 TYR HE1 1 88 GLN HG2 . . 5.500 4.211 4.211 4.211 . 0 0 "[ ]" 1
1220 1 84 CYS H 1 84 CYS HB2 . . 4.110 2.773 2.773 2.773 . 0 0 "[ ]" 1
1221 1 84 CYS H 1 84 CYS HB3 . . 3.980 2.200 2.200 2.200 . 0 0 "[ ]" 1
1222 1 84 CYS H 1 93 VAL HA . . 5.410 3.701 3.701 3.701 . 0 0 "[ ]" 1
1223 1 84 CYS HA 1 85 SER H . . 3.860 2.275 2.275 2.275 . 0 0 "[ ]" 1
1224 1 84 CYS HB2 1 85 SER H . . 5.500 4.472 4.472 4.472 . 0 0 "[ ]" 1
1225 1 84 CYS HB2 1 92 MET HB3 . . 5.500 4.403 4.403 4.403 . 0 0 "[ ]" 1
1226 1 84 CYS HB2 1 92 MET ME . . 6.160 2.838 2.838 2.838 . 0 0 "[ ]" 1
1227 1 84 CYS HB2 1 92 MET HG2 . . 5.190 2.990 2.990 2.990 . 0 0 "[ ]" 1
1228 1 84 CYS HB3 1 85 SER H . . 5.500 4.518 4.518 4.518 . 0 0 "[ ]" 1
1229 1 84 CYS HB3 1 87 HIS HB3 . . 5.500 4.375 4.375 4.375 . 0 0 "[ ]" 1
1230 1 84 CYS HB3 1 92 MET HB3 . . 5.380 2.789 2.789 2.789 . 0 0 "[ ]" 1
1231 1 84 CYS HB3 1 92 MET ME . . 6.530 3.390 3.390 3.390 . 0 0 "[ ]" 1
1232 1 84 CYS HB3 1 92 MET HG2 . . 5.190 2.320 2.320 2.320 . 0 0 "[ ]" 1
1233 1 85 SER H 1 85 SER HB2 . . 4.040 3.533 3.533 3.533 . 0 0 "[ ]" 1
1234 1 85 SER H 1 85 SER HB3 . . 3.980 2.792 2.792 2.792 . 0 0 "[ ]" 1
1235 1 85 SER H 1 86 PRO QD . . 4.660 2.645 2.645 2.645 . 0 0 "[ ]" 1
1236 1 85 SER H 1 86 PRO HG2 . . 5.500 5.122 5.122 5.122 . 0 0 "[ ]" 1
1237 1 85 SER HA 1 88 GLN HB2 . . 4.850 4.394 4.394 4.394 . 0 0 "[ ]" 1
1238 1 85 SER HA 1 88 GLN HG2 . . 5.500 2.337 2.337 2.337 . 0 0 "[ ]" 1
1239 1 85 SER HB2 1 86 PRO QD . . 5.070 3.267 3.267 3.267 . 0 0 "[ ]" 1
1240 1 85 SER HB2 1 86 PRO HG3 . . 5.500 4.880 4.880 4.880 . 0 0 "[ ]" 1
1241 1 85 SER HB3 1 86 PRO QD . . 4.420 3.887 3.887 3.887 . 0 0 "[ ]" 1
1242 1 86 PRO HA 1 86 PRO QD . . 4.200 3.374 3.374 3.374 . 0 0 "[ ]" 1
1243 1 86 PRO HA 1 87 HIS H . . 4.660 3.513 3.513 3.513 . 0 0 "[ ]" 1
1244 1 86 PRO QD 1 87 HIS H . . 5.500 2.686 2.686 2.686 . 0 0 "[ ]" 1
1245 1 86 PRO HG2 1 87 HIS H . . 5.500 4.239 4.239 4.239 . 0 0 "[ ]" 1
1246 1 86 PRO HG2 1 87 HIS HE1 . . 5.500 4.033 4.033 4.033 . 0 0 "[ ]" 1
1247 1 86 PRO HG3 1 87 HIS H . . 5.500 4.684 4.684 4.684 . 0 0 "[ ]" 1
1248 1 86 PRO HG3 1 87 HIS HE1 . . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
1249 1 87 HIS H 1 87 HIS HD2 . . 5.500 4.228 4.228 4.228 . 0 0 "[ ]" 1
1250 1 87 HIS H 1 87 HIS HE1 . . 5.500 5.425 5.425 5.425 . 0 0 "[ ]" 1
1251 1 87 HIS HA 1 87 HIS HD2 . . 4.200 2.412 2.412 2.412 . 0 0 "[ ]" 1
1252 1 87 HIS HA 1 88 GLN H . . 5.500 3.403 3.403 3.403 . 0 0 "[ ]" 1
1253 1 87 HIS HA 1 90 ALA MB . . 5.130 2.434 2.434 2.434 . 0 0 "[ ]" 1
1254 1 87 HIS HB2 1 92 MET HB2 . . 5.000 3.054 3.054 3.054 . 0 0 "[ ]" 1
1255 1 87 HIS HB3 1 87 HIS HE1 . . 5.500 5.188 5.188 5.188 . 0 0 "[ ]" 1
1256 1 87 HIS HB3 1 90 ALA MB . . 6.190 2.816 2.816 2.816 . 0 0 "[ ]" 1
1257 1 87 HIS HB3 1 92 MET HB2 . . 5.500 2.648 2.648 2.648 . 0 0 "[ ]" 1
1258 1 87 HIS HB3 1 92 MET HB3 . . 5.500 2.672 2.672 2.672 . 0 0 "[ ]" 1
1259 1 87 HIS HD2 1 90 ALA MB . . 5.320 3.273 3.273 3.273 . 0 0 "[ ]" 1
1260 1 88 GLN H 1 88 GLN HB2 . . 3.980 3.578 3.578 3.578 . 0 0 "[ ]" 1
1261 1 88 GLN H 1 88 GLN HG2 . . 5.130 3.314 3.314 3.314 . 0 0 "[ ]" 1
1262 1 88 GLN H 1 89 GLY H . . 5.500 2.961 2.961 2.961 . 0 0 "[ ]" 1
1263 1 88 GLN HA 1 88 GLN HG2 . . 4.290 4.203 4.203 4.203 . 0 0 "[ ]" 1
1264 1 88 GLN HA 1 89 GLY H . . 5.500 3.601 3.601 3.601 . 0 0 "[ ]" 1
1265 1 88 GLN HA 1 92 MET H . . 4.660 3.104 3.104 3.104 . 0 0 "[ ]" 1
1266 1 88 GLN HA 1 93 VAL MG1 . . 5.160 4.559 4.559 4.559 . 0 0 "[ ]" 1
1267 1 88 GLN HA 1 93 VAL MG2 . . 5.380 2.628 2.628 2.628 . 0 0 "[ ]" 1
1268 1 88 GLN HB2 1 88 GLN HE22 . . 5.500 4.211 4.211 4.211 . 0 0 "[ ]" 1
1269 1 88 GLN HB2 1 89 GLY H . . 4.570 4.061 4.061 4.061 . 0 0 "[ ]" 1
1270 1 88 GLN HB3 1 88 GLN HE22 . . 5.500 5.118 5.118 5.118 . 0 0 "[ ]" 1
1271 1 88 GLN HB3 1 89 GLY H . . 5.310 4.059 4.059 4.059 . 0 0 "[ ]" 1
1272 1 88 GLN HG2 1 89 GLY H . . 5.500 4.014 4.014 4.014 . 0 0 "[ ]" 1
1273 1 89 GLY H 1 90 ALA H . . 4.910 2.405 2.405 2.405 . 0 0 "[ ]" 1
1274 1 89 GLY HA2 1 90 ALA H . . 5.440 3.553 3.553 3.553 . 0 0 "[ ]" 1
1275 1 89 GLY HA2 1 91 GLY H . . 5.500 3.618 3.618 3.618 . 0 0 "[ ]" 1
1276 1 89 GLY HA3 1 90 ALA H . . 5.130 2.883 2.883 2.883 . 0 0 "[ ]" 1
1277 1 90 ALA H 1 91 GLY H . . 4.070 2.710 2.710 2.710 . 0 0 "[ ]" 1
1278 1 90 ALA HA 1 91 GLY H . . 4.570 3.420 3.420 3.420 . 0 0 "[ ]" 1
1279 1 90 ALA HA 1 92 MET H . . 5.500 4.954 4.954 4.954 . 0 0 "[ ]" 1
1280 1 90 ALA MB 1 91 GLY H . . 6.530 3.185 3.185 3.185 . 0 0 "[ ]" 1
1281 1 91 GLY H 1 92 MET H . . 4.200 2.305 2.305 2.305 . 0 0 "[ ]" 1
1282 1 91 GLY H 1 93 VAL MG2 . . 6.530 3.825 3.825 3.825 . 0 0 "[ ]" 1
1283 1 91 GLY HA2 1 92 MET H . . 5.310 3.418 3.418 3.418 . 0 0 "[ ]" 1
1284 1 91 GLY HA3 1 92 MET H . . 5.250 3.281 3.281 3.281 . 0 0 "[ ]" 1
1285 1 92 MET H 1 92 MET HB2 . . 4.110 2.591 2.591 2.591 . 0 0 "[ ]" 1
1286 1 92 MET H 1 92 MET HB3 . . 4.320 2.536 2.536 2.536 . 0 0 "[ ]" 1
1287 1 92 MET H 1 93 VAL H . . 5.500 4.068 4.068 4.068 . 0 0 "[ ]" 1
1288 1 92 MET H 1 93 VAL MG1 . . 6.530 6.115 6.115 6.115 . 0 0 "[ ]" 1
1289 1 92 MET HA 1 92 MET HG3 . . 4.380 2.274 2.274 2.274 . 0 0 "[ ]" 1
1290 1 92 MET HA 1 93 VAL H . . 3.480 2.236 2.236 2.236 . 0 0 "[ ]" 1
1291 1 92 MET HA 1 93 VAL MG1 . . 6.530 5.563 5.563 5.563 . 0 0 "[ ]" 1
1292 1 92 MET HB2 1 93 VAL H . . 5.470 4.540 4.540 4.540 . 0 0 "[ ]" 1
1293 1 92 MET HB3 1 93 VAL H . . 5.500 4.483 4.483 4.483 . 0 0 "[ ]" 1
1294 1 93 VAL H 1 94 GLY H . . 5.500 4.491 4.491 4.491 . 0 0 "[ ]" 1
1295 1 93 VAL HA 1 94 GLY H . . 3.580 2.272 2.272 2.272 . 0 0 "[ ]" 1
1296 1 93 VAL HB 1 94 GLY H . . 4.540 3.940 3.940 3.940 . 0 0 "[ ]" 1
1297 1 93 VAL MG1 1 94 GLY H . . 6.530 2.356 2.356 2.356 . 0 0 "[ ]" 1
1298 1 93 VAL MG2 1 94 GLY H . . 6.530 4.182 4.182 4.182 . 0 0 "[ ]" 1
1299 1 93 VAL MG2 1 94 GLY HA2 . . 6.530 5.543 5.543 5.543 . 0 0 "[ ]" 1
1300 1 94 GLY H 1 95 LYS H . . 5.500 4.398 4.398 4.398 . 0 0 "[ ]" 1
1301 1 94 GLY HA2 1 95 LYS H . . 3.480 2.231 2.231 2.231 . 0 0 "[ ]" 1
1302 1 94 GLY HA3 1 95 LYS H . . 3.610 2.973 2.973 2.973 . 0 0 "[ ]" 1
1303 1 95 LYS H 1 95 LYS HB2 . . 4.110 3.173 3.173 3.173 . 0 0 "[ ]" 1
1304 1 95 LYS H 1 95 LYS HB3 . . 4.320 2.520 2.520 2.520 . 0 0 "[ ]" 1
1305 1 95 LYS H 1 95 LYS HE3 . . 5.130 4.624 4.624 4.624 . 0 0 "[ ]" 1
1306 1 95 LYS H 1 95 LYS HG2 . . 5.500 4.363 4.363 4.363 . 0 0 "[ ]" 1
1307 1 95 LYS H 1 96 VAL H . . 5.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
1308 1 95 LYS HA 1 95 LYS HG2 . . 4.450 3.470 3.470 3.470 . 0 0 "[ ]" 1
1309 1 95 LYS HA 1 96 VAL H . . 3.330 2.118 2.118 2.118 . 0 0 "[ ]" 1
1310 1 95 LYS HA 1 96 VAL MG1 . . 4.980 3.939 3.939 3.939 . 0 0 "[ ]" 1
1311 1 95 LYS HB2 1 95 LYS HE3 . . 5.500 2.069 2.069 2.069 . 0 0 "[ ]" 1
1312 1 95 LYS HB2 1 96 VAL H . . 4.790 4.383 4.383 4.383 . 0 0 "[ ]" 1
1313 1 95 LYS HB3 1 95 LYS HE3 . . 3.730 2.493 2.493 2.493 . 0 0 "[ ]" 1
1314 1 95 LYS HB3 1 95 LYS HG2 . . 2.400 2.369 2.369 2.369 . 0 0 "[ ]" 1
1315 1 95 LYS HG2 1 96 VAL H . . 5.500 4.388 4.388 4.388 . 0 0 "[ ]" 1
1316 1 96 VAL H 1 97 THR H . . 5.500 4.597 4.597 4.597 . 0 0 "[ ]" 1
1317 1 96 VAL HA 1 96 VAL HB . . 3.080 2.459 2.459 2.459 . 0 0 "[ ]" 1
1318 1 96 VAL HA 1 97 THR H . . 3.240 2.457 2.457 2.457 . 0 0 "[ ]" 1
1319 1 96 VAL HB 1 97 THR H . . 4.260 4.032 4.032 4.032 . 0 0 "[ ]" 1
1320 1 96 VAL MG1 1 97 THR H . . 6.530 3.531 3.531 3.531 . 0 0 "[ ]" 1
1321 1 96 VAL MG2 1 97 THR H . . 5.440 2.103 2.103 2.103 . 0 0 "[ ]" 1
1322 1 96 VAL MG2 1 97 THR HA . . 5.630 3.791 3.791 3.791 . 0 0 "[ ]" 1
1323 1 96 VAL MG2 1 98 VAL HA . . 5.470 4.329 4.329 4.329 . 0 0 "[ ]" 1
1324 1 96 VAL MG2 1 98 VAL QG . . 7.560 3.411 3.411 3.411 . 0 0 "[ ]" 1
1325 1 97 THR H 1 97 THR HB . . 3.860 2.906 2.906 2.906 . 0 0 "[ ]" 1
1326 1 97 THR HA 1 97 THR MG . . 3.680 2.485 2.485 2.485 . 0 0 "[ ]" 1
1327 1 97 THR HA 1 98 VAL H . . 3.080 2.224 2.224 2.224 . 0 0 "[ ]" 1
1328 1 97 THR HB 1 98 VAL H . . 5.500 4.249 4.249 4.249 . 0 0 "[ ]" 1
1329 1 97 THR MG 1 98 VAL H . . 5.850 2.682 2.682 2.682 . 0 0 "[ ]" 1
1330 1 97 THR MG 1 98 VAL HA . . 5.540 3.967 3.967 3.967 . 0 0 "[ ]" 1
1331 1 97 THR MG 1 99 ASN HA . . 5.750 3.988 3.988 3.988 . 0 0 "[ ]" 1
1332 1 97 THR MG 1 99 ASN HB2 . . 6.530 2.173 2.173 2.173 . 0 0 "[ ]" 1
1333 1 98 VAL H 1 98 VAL HB . . 3.860 2.476 2.476 2.476 . 0 0 "[ ]" 1
1334 1 98 VAL H 1 99 ASN H . . 5.500 4.386 4.386 4.386 . 0 0 "[ ]" 1
1335 1 98 VAL HA 1 99 ASN H . . 3.330 2.191 2.191 2.191 . 0 0 "[ ]" 1
1336 1 98 VAL HB 1 99 ASN H . . 5.500 4.381 4.381 4.381 . 0 0 "[ ]" 1
1337 1 98 VAL QG 1 99 ASN H . . 6.530 3.023 3.023 3.023 . 0 0 "[ ]" 1
1338 1 99 ASN H 1 99 ASN HB2 . . 3.860 3.192 3.192 3.192 . 0 0 "[ ]" 1
1339 1 99 ASN H 1 99 ASN HD21 . . 5.500 4.398 4.398 4.398 . 0 0 "[ ]" 1
stop_
save_
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