NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379104 |
1hqb   |
4603 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hqb
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 1523
_Distance_constraint_stats_list.Viol_count 70
_Distance_constraint_stats_list.Viol_total 3.300
_Distance_constraint_stats_list.Viol_max 0.172
_Distance_constraint_stats_list.Viol_rms 0.0126
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0471
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.000 0.000 . 0 "[ ]"
1 3 GLU 0.018 0.018 1 0 "[ ]"
1 4 ALA 0.175 0.082 1 0 "[ ]"
1 5 ILE 0.196 0.082 1 0 "[ ]"
1 6 LYS 0.018 0.018 1 0 "[ ]"
1 7 ASN 0.054 0.036 1 0 "[ ]"
1 8 GLY 0.010 0.010 1 0 "[ ]"
1 9 VAL 0.056 0.056 1 0 "[ ]"
1 10 LEU 0.000 0.000 . 0 "[ ]"
1 11 ASP 0.072 0.062 1 0 "[ ]"
1 12 ILE 0.000 0.000 . 0 "[ ]"
1 13 LEU 0.147 0.066 1 0 "[ ]"
1 14 ALA 0.138 0.065 1 0 "[ ]"
1 15 ASP 0.127 0.065 1 0 "[ ]"
1 16 LEU 0.000 0.000 . 0 "[ ]"
1 17 THR 0.135 0.066 1 0 "[ ]"
1 18 GLY 0.000 0.000 . 0 "[ ]"
1 19 SER 0.000 0.000 . 0 "[ ]"
1 20 ASP 0.175 0.172 1 0 "[ ]"
1 21 ASP 0.000 0.000 . 0 "[ ]"
1 22 VAL 0.088 0.063 1 0 "[ ]"
1 23 LYS 0.000 0.000 . 0 "[ ]"
1 24 LYS 0.000 0.000 . 0 "[ ]"
1 25 ASN 0.022 0.022 1 0 "[ ]"
1 26 LEU 0.029 0.029 1 0 "[ ]"
1 27 ASP 0.100 0.063 1 0 "[ ]"
1 28 LEU 0.206 0.113 1 0 "[ ]"
1 29 ASN 0.254 0.122 1 0 "[ ]"
1 30 LEU 0.000 0.000 . 0 "[ ]"
1 31 PHE 0.025 0.025 1 0 "[ ]"
1 32 GLU 0.134 0.085 1 0 "[ ]"
1 33 THR 0.093 0.048 1 0 "[ ]"
1 34 GLY 0.085 0.085 1 0 "[ ]"
1 35 LEU 0.084 0.063 1 0 "[ ]"
1 36 LEU 0.000 0.000 . 0 "[ ]"
1 37 ASP 0.000 0.000 . 0 "[ ]"
1 38 SER 0.000 0.000 . 0 "[ ]"
1 39 MET 0.000 0.000 . 0 "[ ]"
1 40 GLY 0.000 0.000 . 0 "[ ]"
1 41 THR 0.032 0.032 1 0 "[ ]"
1 42 VAL 0.000 0.000 . 0 "[ ]"
1 43 GLN 0.103 0.042 1 0 "[ ]"
1 44 LEU 0.062 0.042 1 0 "[ ]"
1 45 LEU 0.021 0.012 1 0 "[ ]"
1 46 LEU 0.020 0.020 1 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 48 LEU 0.058 0.026 1 0 "[ ]"
1 49 GLN 0.115 0.032 1 0 "[ ]"
1 50 SER 0.000 0.000 . 0 "[ ]"
1 51 GLN 0.069 0.068 1 0 "[ ]"
1 52 PHE 0.164 0.068 1 0 "[ ]"
1 53 GLY 0.032 0.032 1 0 "[ ]"
1 54 VAL 0.120 0.086 1 0 "[ ]"
1 55 ASP 0.309 0.147 1 0 "[ ]"
1 56 ALA 0.147 0.147 1 0 "[ ]"
1 57 PRO 0.010 0.010 1 0 "[ ]"
1 58 VAL 0.064 0.064 1 0 "[ ]"
1 59 SER 0.074 0.064 1 0 "[ ]"
1 60 GLU 0.020 0.020 1 0 "[ ]"
1 61 PHE 0.020 0.020 1 0 "[ ]"
1 62 ASP 0.089 0.089 1 0 "[ ]"
1 63 ARG 0.071 0.071 1 0 "[ ]"
1 64 LYS 0.207 0.083 1 0 "[ ]"
1 65 GLU 0.241 0.092 1 0 "[ ]"
1 66 TRP 0.266 0.092 1 0 "[ ]"
1 67 ASP 0.150 0.123 1 0 "[ ]"
1 68 THR 0.126 0.089 1 0 "[ ]"
1 69 PRO 0.063 0.063 1 0 "[ ]"
1 70 ASN 0.022 0.022 1 0 "[ ]"
1 71 LYS 0.109 0.089 1 0 "[ ]"
1 72 ILE 0.152 0.130 1 0 "[ ]"
1 73 ILE 0.136 0.130 1 0 "[ ]"
1 74 ALA 0.044 0.038 1 0 "[ ]"
1 75 LYS 0.092 0.065 1 0 "[ ]"
1 76 VAL 0.000 0.000 . 0 "[ ]"
1 77 GLU 0.000 0.000 . 0 "[ ]"
1 78 GLN 0.068 0.038 1 0 "[ ]"
1 79 ALA 0.002 0.002 1 0 "[ ]"
1 80 GLN 0.005 0.005 1 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 2 ASP HA 1 3 GLU H . . 2.760 2.253 2.253 2.253 . 0 0 "[ ]" 1
2 1 2 ASP HA 1 4 ALA H . . 4.270 3.414 3.414 3.414 . 0 0 "[ ]" 1
3 1 2 ASP HA 1 5 ILE MD . . 6.920 5.594 5.594 5.594 . 0 0 "[ ]" 1
4 1 2 ASP QB 1 4 ALA H . . 6.160 3.204 3.204 3.204 . 0 0 "[ ]" 1
5 1 2 ASP QB 1 5 ILE H . . 5.690 3.209 3.209 3.209 . 0 0 "[ ]" 1
6 1 2 ASP QB 1 5 ILE HB . . 6.440 2.671 2.671 2.671 . 0 0 "[ ]" 1
7 1 2 ASP QB 1 5 ILE MD . . 7.800 2.983 2.983 2.983 . 0 0 "[ ]" 1
8 1 2 ASP QB 1 6 LYS H . . 6.230 4.378 4.378 4.378 . 0 0 "[ ]" 1
9 1 3 GLU H 1 4 ALA H . . 3.550 2.115 2.115 2.115 . 0 0 "[ ]" 1
10 1 3 GLU H 1 4 ALA MB . . 7.030 3.682 3.682 3.682 . 0 0 "[ ]" 1
11 1 3 GLU HA 1 4 ALA H . . 3.440 3.413 3.413 3.413 . 0 0 "[ ]" 1
12 1 3 GLU HA 1 5 ILE H . . 3.300 3.318 3.318 3.318 0.018 1 0 "[ ]" 1
13 1 3 GLU HA 1 6 LYS H . . 4.060 3.056 3.056 3.056 . 0 0 "[ ]" 1
14 1 3 GLU HA 1 6 LYS HB2 . . 3.700 3.150 3.150 3.150 . 0 0 "[ ]" 1
15 1 3 GLU HA 1 6 LYS QB . . 3.240 2.962 2.962 2.962 . 0 0 "[ ]" 1
16 1 3 GLU HA 1 6 LYS HB3 . . 3.700 3.604 3.604 3.604 . 0 0 "[ ]" 1
17 1 3 GLU HA 1 7 ASN H . . 3.980 3.930 3.930 3.930 . 0 0 "[ ]" 1
18 1 3 GLU HA 1 7 ASN QB . . 5.290 4.506 4.506 4.506 . 0 0 "[ ]" 1
19 1 3 GLU QB 1 7 ASN HD21 . . 6.880 4.511 4.511 4.511 . 0 0 "[ ]" 1
20 1 3 GLU QB 1 7 ASN HD22 . . 6.880 5.848 5.848 5.848 . 0 0 "[ ]" 1
21 1 3 GLU QG 1 4 ALA H . . 6.880 4.596 4.596 4.596 . 0 0 "[ ]" 1
22 1 3 GLU QG 1 4 ALA HA . . 6.880 4.948 4.948 4.948 . 0 0 "[ ]" 1
23 1 3 GLU QG 1 7 ASN H . . 6.880 3.962 3.962 3.962 . 0 0 "[ ]" 1
24 1 3 GLU QG 1 7 ASN HD21 . . 6.880 4.461 4.461 4.461 . 0 0 "[ ]" 1
25 1 3 GLU QG 1 7 ASN HD22 . . 6.880 5.364 5.364 5.364 . 0 0 "[ ]" 1
26 1 4 ALA H 1 5 ILE H . . 3.410 2.506 2.506 2.506 . 0 0 "[ ]" 1
27 1 4 ALA H 1 5 ILE HA . . 4.960 5.016 5.016 5.016 0.056 1 0 "[ ]" 1
28 1 4 ALA H 1 5 ILE HB . . 4.520 4.229 4.229 4.229 . 0 0 "[ ]" 1
29 1 4 ALA H 1 5 ILE MD . . 7.030 5.531 5.531 5.531 . 0 0 "[ ]" 1
30 1 4 ALA H 1 5 ILE QG . . 6.880 4.679 4.679 4.679 . 0 0 "[ ]" 1
31 1 4 ALA HA 1 5 ILE H . . 3.340 3.422 3.422 3.422 0.082 1 0 "[ ]" 1
32 1 4 ALA HA 1 7 ASN H . . 3.700 3.631 3.631 3.631 . 0 0 "[ ]" 1
33 1 4 ALA HA 1 7 ASN HB2 . . 3.550 3.207 3.207 3.207 . 0 0 "[ ]" 1
34 1 4 ALA HA 1 7 ASN QB . . 3.280 2.799 2.799 2.799 . 0 0 "[ ]" 1
35 1 4 ALA HA 1 7 ASN HB3 . . 3.550 3.085 3.085 3.085 . 0 0 "[ ]" 1
36 1 4 ALA HA 1 7 ASN HD21 . . 5.640 4.015 4.015 4.015 . 0 0 "[ ]" 1
37 1 4 ALA HA 1 7 ASN QD . . 5.170 3.937 3.937 3.937 . 0 0 "[ ]" 1
38 1 4 ALA HA 1 7 ASN HD22 . . 5.640 5.676 5.676 5.676 0.036 1 0 "[ ]" 1
39 1 4 ALA MB 1 5 ILE HA . . 6.560 4.030 4.030 4.030 . 0 0 "[ ]" 1
40 1 4 ALA MB 1 7 ASN H . . 7.030 4.833 4.833 4.833 . 0 0 "[ ]" 1
41 1 4 ALA MB 1 7 ASN QB . . 7.650 4.115 4.115 4.115 . 0 0 "[ ]" 1
42 1 4 ALA MB 1 8 GLY H . . 7.030 4.306 4.306 4.306 . 0 0 "[ ]" 1
43 1 5 ILE H 1 5 ILE HB . . 2.760 2.136 2.136 2.136 . 0 0 "[ ]" 1
44 1 5 ILE H 1 5 ILE MD . . 5.590 4.103 4.103 4.103 . 0 0 "[ ]" 1
45 1 5 ILE H 1 5 ILE HG12 . . 4.160 4.199 4.199 4.199 0.039 1 0 "[ ]" 1
46 1 5 ILE H 1 5 ILE QG . . 3.750 3.218 3.218 3.218 . 0 0 "[ ]" 1
47 1 5 ILE H 1 5 ILE HG13 . . 4.160 3.342 3.342 3.342 . 0 0 "[ ]" 1
48 1 5 ILE HA 1 5 ILE HG12 . . 3.910 2.254 2.254 2.254 . 0 0 "[ ]" 1
49 1 5 ILE HA 1 5 ILE QG . . 3.670 2.141 2.141 2.141 . 0 0 "[ ]" 1
50 1 5 ILE HA 1 5 ILE HG13 . . 3.910 2.670 2.670 2.670 . 0 0 "[ ]" 1
51 1 5 ILE HA 1 8 GLY H . . 3.800 3.482 3.482 3.482 . 0 0 "[ ]" 1
52 1 5 ILE HA 1 9 VAL H . . 4.310 3.431 3.431 3.431 . 0 0 "[ ]" 1
53 1 5 ILE HA 1 9 VAL QG . . 7.690 3.558 3.558 3.558 . 0 0 "[ ]" 1
54 1 5 ILE HA 1 52 PHE HZ . . 3.950 3.271 3.271 3.271 . 0 0 "[ ]" 1
55 1 5 ILE HA 1 76 VAL QG . . 8.410 4.389 4.389 4.389 . 0 0 "[ ]" 1
56 1 5 ILE MD 1 6 LYS H . . 6.420 4.648 4.648 4.648 . 0 0 "[ ]" 1
57 1 5 ILE MD 1 52 PHE QD . . 9.150 2.002 2.002 2.002 . 0 0 "[ ]" 1
58 1 5 ILE MD 1 76 VAL QG . . 8.280 2.795 2.795 2.795 . 0 0 "[ ]" 1
59 1 5 ILE MD 1 77 GLU HA . . 5.300 4.283 4.283 4.283 . 0 0 "[ ]" 1
60 1 5 ILE MD 1 80 GLN QE . . 7.890 3.249 3.249 3.249 . 0 0 "[ ]" 1
61 1 5 ILE MD 1 80 GLN HG2 . . 5.770 3.085 3.085 3.085 . 0 0 "[ ]" 1
62 1 5 ILE MD 1 80 GLN QG . . 5.490 2.286 2.286 2.286 . 0 0 "[ ]" 1
63 1 5 ILE MD 1 80 GLN HG3 . . 5.770 2.356 2.356 2.356 . 0 0 "[ ]" 1
64 1 5 ILE QG 1 6 LYS H . . 6.880 4.391 4.391 4.391 . 0 0 "[ ]" 1
65 1 5 ILE QG 1 51 GLN QB . . 4.940 4.012 4.012 4.012 . 0 0 "[ ]" 1
66 1 5 ILE QG 1 52 PHE QB . . 6.280 3.829 3.829 3.829 . 0 0 "[ ]" 1
67 1 5 ILE QG 1 52 PHE HZ . . 6.700 3.832 3.832 3.832 . 0 0 "[ ]" 1
68 1 5 ILE QG 1 76 VAL QG . . 8.060 3.447 3.447 3.447 . 0 0 "[ ]" 1
69 1 5 ILE HG12 1 76 VAL MG1 . . 9.970 3.574 3.574 3.574 . 0 0 "[ ]" 1
70 1 5 ILE HG12 1 76 VAL MG2 . . 9.970 5.764 5.764 5.764 . 0 0 "[ ]" 1
71 1 5 ILE HG13 1 76 VAL MG1 . . 9.970 4.804 4.804 4.804 . 0 0 "[ ]" 1
72 1 5 ILE HG13 1 76 VAL MG2 . . 9.970 7.145 7.145 7.145 . 0 0 "[ ]" 1
73 1 5 ILE MG 1 6 LYS H . . 5.950 2.509 2.509 2.509 . 0 0 "[ ]" 1
74 1 5 ILE MG 1 6 LYS HA . . 5.910 2.979 2.979 2.979 . 0 0 "[ ]" 1
75 1 5 ILE MG 1 9 VAL H . . 7.030 3.817 3.817 3.817 . 0 0 "[ ]" 1
76 1 5 ILE MG 1 52 PHE HZ . . 6.310 4.141 4.141 4.141 . 0 0 "[ ]" 1
77 1 5 ILE MG 1 73 ILE HA . . 5.620 4.694 4.694 4.694 . 0 0 "[ ]" 1
78 1 5 ILE MG 1 76 VAL H . . 7.030 5.377 5.377 5.377 . 0 0 "[ ]" 1
79 1 5 ILE MG 1 76 VAL HB . . 5.340 3.467 3.467 3.467 . 0 0 "[ ]" 1
80 1 5 ILE MG 1 77 GLU H . . 6.090 4.711 4.711 4.711 . 0 0 "[ ]" 1
81 1 5 ILE MG 1 77 GLU HA . . 5.840 3.886 3.886 3.886 . 0 0 "[ ]" 1
82 1 5 ILE MG 1 77 GLU HG2 . . 6.020 3.141 3.141 3.141 . 0 0 "[ ]" 1
83 1 5 ILE MG 1 77 GLU QG . . 5.780 3.065 3.065 3.065 . 0 0 "[ ]" 1
84 1 5 ILE MG 1 77 GLU HG3 . . 6.020 4.270 4.270 4.270 . 0 0 "[ ]" 1
85 1 5 ILE MG 1 80 GLN QG . . 7.900 3.354 3.354 3.354 . 0 0 "[ ]" 1
86 1 6 LYS H 1 6 LYS HB2 . . 3.260 2.071 2.071 2.071 . 0 0 "[ ]" 1
87 1 6 LYS H 1 6 LYS QB . . 3.000 2.033 2.033 2.033 . 0 0 "[ ]" 1
88 1 6 LYS H 1 6 LYS HB3 . . 3.260 2.963 2.963 2.963 . 0 0 "[ ]" 1
89 1 6 LYS H 1 7 ASN H . . 3.590 2.664 2.664 2.664 . 0 0 "[ ]" 1
90 1 6 LYS H 1 9 VAL QG . . 8.590 4.513 4.513 4.513 . 0 0 "[ ]" 1
91 1 6 LYS HA 1 9 VAL H . . 4.200 3.796 3.796 3.796 . 0 0 "[ ]" 1
92 1 6 LYS HA 1 9 VAL HB . . 3.480 2.710 2.710 2.710 . 0 0 "[ ]" 1
93 1 6 LYS HA 1 9 VAL MG1 . . 4.690 3.630 3.630 3.630 . 0 0 "[ ]" 1
94 1 6 LYS HA 1 9 VAL QG . . 4.290 3.237 3.237 3.237 . 0 0 "[ ]" 1
95 1 6 LYS HA 1 9 VAL MG2 . . 4.690 3.637 3.637 3.637 . 0 0 "[ ]" 1
96 1 6 LYS HA 1 10 LEU H . . 4.490 4.014 4.014 4.014 . 0 0 "[ ]" 1
97 1 6 LYS HA 1 73 ILE MD . . 4.870 3.686 3.686 3.686 . 0 0 "[ ]" 1
98 1 6 LYS HA 1 73 ILE HG12 . . 5.320 2.925 2.925 2.925 . 0 0 "[ ]" 1
99 1 6 LYS HA 1 73 ILE QG . . 4.930 2.892 2.892 2.892 . 0 0 "[ ]" 1
100 1 6 LYS HA 1 73 ILE HG13 . . 5.320 4.540 4.540 4.540 . 0 0 "[ ]" 1
101 1 6 LYS HA 1 73 ILE MG . . 4.800 3.649 3.649 3.649 . 0 0 "[ ]" 1
102 1 6 LYS QB 1 7 ASN H . . 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 1
103 1 6 LYS QB 1 8 GLY H . . 5.690 5.076 5.076 5.076 . 0 0 "[ ]" 1
104 1 6 LYS HB2 1 7 ASN H . . 3.620 3.638 3.638 3.638 0.018 1 0 "[ ]" 1
105 1 6 LYS HB3 1 7 ASN H . . 3.620 3.004 3.004 3.004 . 0 0 "[ ]" 1
106 1 6 LYS QD 1 7 ASN H . . 6.880 4.594 4.594 4.594 . 0 0 "[ ]" 1
107 1 6 LYS QD 1 10 LEU QD . . 7.170 3.167 3.167 3.167 . 0 0 "[ ]" 1
108 1 6 LYS QE 1 73 ILE MD . . 7.900 3.699 3.699 3.699 . 0 0 "[ ]" 1
109 1 6 LYS QG 1 7 ASN H . . 5.620 4.513 4.513 4.513 . 0 0 "[ ]" 1
110 1 6 LYS QG 1 10 LEU QD . . 7.750 3.890 3.890 3.890 . 0 0 "[ ]" 1
111 1 6 LYS QG 1 73 ILE MD . . 5.600 2.398 2.398 2.398 . 0 0 "[ ]" 1
112 1 6 LYS QG 1 73 ILE QG . . 7.570 2.530 2.530 2.530 . 0 0 "[ ]" 1
113 1 6 LYS HG2 1 7 ASN H . . 6.000 4.835 4.835 4.835 . 0 0 "[ ]" 1
114 1 6 LYS HG3 1 7 ASN H . . 6.000 5.406 5.406 5.406 . 0 0 "[ ]" 1
115 1 7 ASN H 1 7 ASN HB2 . . 3.230 2.176 2.176 2.176 . 0 0 "[ ]" 1
116 1 7 ASN H 1 7 ASN QB . . 3.010 2.114 2.114 2.114 . 0 0 "[ ]" 1
117 1 7 ASN H 1 7 ASN HB3 . . 3.230 2.871 2.871 2.871 . 0 0 "[ ]" 1
118 1 7 ASN H 1 7 ASN HD21 . . 6.000 4.533 4.533 4.533 . 0 0 "[ ]" 1
119 1 7 ASN H 1 7 ASN HD22 . . 6.000 5.640 5.640 5.640 . 0 0 "[ ]" 1
120 1 7 ASN H 1 8 GLY H . . 3.550 2.623 2.623 2.623 . 0 0 "[ ]" 1
121 1 7 ASN H 1 9 VAL QG . . 8.590 4.960 4.960 4.960 . 0 0 "[ ]" 1
122 1 7 ASN HA 1 9 VAL H . . 4.960 4.606 4.606 4.606 . 0 0 "[ ]" 1
123 1 7 ASN HA 1 10 LEU H . . 3.620 3.552 3.552 3.552 . 0 0 "[ ]" 1
124 1 7 ASN HA 1 10 LEU HB2 . . 3.520 3.186 3.186 3.186 . 0 0 "[ ]" 1
125 1 7 ASN HA 1 10 LEU QB . . 3.210 2.951 2.951 2.951 . 0 0 "[ ]" 1
126 1 7 ASN HA 1 10 LEU HB3 . . 3.520 3.485 3.485 3.485 . 0 0 "[ ]" 1
127 1 7 ASN HA 1 10 LEU MD1 . . 6.960 3.870 3.870 3.870 . 0 0 "[ ]" 1
128 1 7 ASN HA 1 10 LEU QD . . 5.810 3.763 3.763 3.763 . 0 0 "[ ]" 1
129 1 7 ASN HA 1 10 LEU MD2 . . 6.960 5.130 5.130 5.130 . 0 0 "[ ]" 1
130 1 7 ASN QB 1 8 GLY H . . 3.590 2.217 2.217 2.217 . 0 0 "[ ]" 1
131 1 7 ASN HB2 1 8 GLY H . . 3.840 3.274 3.274 3.274 . 0 0 "[ ]" 1
132 1 7 ASN HB3 1 8 GLY H . . 3.840 2.255 2.255 2.255 . 0 0 "[ ]" 1
133 1 7 ASN QD 1 8 GLY H . . 6.870 4.693 4.693 4.693 . 0 0 "[ ]" 1
134 1 8 GLY H 1 9 VAL H . . 3.550 2.871 2.871 2.871 . 0 0 "[ ]" 1
135 1 8 GLY H 1 12 ILE MD . . 7.030 5.383 5.383 5.383 . 0 0 "[ ]" 1
136 1 8 GLY H 1 52 PHE HZ . . 5.750 4.315 4.315 4.315 . 0 0 "[ ]" 1
137 1 8 GLY QA 1 11 ASP H . . 5.150 3.280 3.280 3.280 . 0 0 "[ ]" 1
138 1 8 GLY QA 1 11 ASP QB . . 3.730 2.340 2.340 2.340 . 0 0 "[ ]" 1
139 1 8 GLY QA 1 12 ILE H . . 5.900 3.715 3.715 3.715 . 0 0 "[ ]" 1
140 1 8 GLY QA 1 12 ILE MD . . 6.860 3.182 3.182 3.182 . 0 0 "[ ]" 1
141 1 8 GLY QA 1 51 GLN QG . . 7.750 5.279 5.279 5.279 . 0 0 "[ ]" 1
142 1 8 GLY QA 1 52 PHE HZ . . 4.080 2.807 2.807 2.807 . 0 0 "[ ]" 1
143 1 8 GLY HA2 1 11 ASP HB2 . . 4.310 2.577 2.577 2.577 . 0 0 "[ ]" 1
144 1 8 GLY HA2 1 11 ASP HB3 . . 4.310 2.741 2.741 2.741 . 0 0 "[ ]" 1
145 1 8 GLY HA2 1 12 ILE MD . . 7.030 3.613 3.613 3.613 . 0 0 "[ ]" 1
146 1 8 GLY HA2 1 52 PHE HZ . . 4.420 4.296 4.296 4.296 . 0 0 "[ ]" 1
147 1 8 GLY HA3 1 11 ASP HB2 . . 4.310 4.250 4.250 4.250 . 0 0 "[ ]" 1
148 1 8 GLY HA3 1 11 ASP HB3 . . 4.310 4.320 4.320 4.320 0.010 1 0 "[ ]" 1
149 1 8 GLY HA3 1 12 ILE MD . . 7.030 3.533 3.533 3.533 . 0 0 "[ ]" 1
150 1 8 GLY HA3 1 52 PHE HZ . . 4.420 2.845 2.845 2.845 . 0 0 "[ ]" 1
151 1 9 VAL H 1 9 VAL HB . . 3.080 2.124 2.124 2.124 . 0 0 "[ ]" 1
152 1 9 VAL H 1 10 LEU H . . 3.660 2.799 2.799 2.799 . 0 0 "[ ]" 1
153 1 9 VAL H 1 10 LEU QD . . 8.060 5.605 5.605 5.605 . 0 0 "[ ]" 1
154 1 9 VAL H 1 52 PHE HZ . . 5.420 2.754 2.754 2.754 . 0 0 "[ ]" 1
155 1 9 VAL H 1 73 ILE QG . . 6.880 4.822 4.822 4.822 . 0 0 "[ ]" 1
156 1 9 VAL HA 1 12 ILE H . . 3.840 3.493 3.493 3.493 . 0 0 "[ ]" 1
157 1 9 VAL HA 1 12 ILE HB . . 3.050 2.735 2.735 2.735 . 0 0 "[ ]" 1
158 1 9 VAL HA 1 12 ILE MD . . 4.830 3.225 3.225 3.225 . 0 0 "[ ]" 1
159 1 9 VAL HA 1 12 ILE QG . . 5.900 4.741 4.741 4.741 . 0 0 "[ ]" 1
160 1 9 VAL HA 1 12 ILE MG . . 4.360 3.471 3.471 3.471 . 0 0 "[ ]" 1
161 1 9 VAL HA 1 13 LEU H . . 4.490 4.546 4.546 4.546 0.056 1 0 "[ ]" 1
162 1 9 VAL HA 1 52 PHE HZ . . 5.030 3.043 3.043 3.043 . 0 0 "[ ]" 1
163 1 9 VAL HB 1 10 LEU H . . 3.620 2.732 2.732 2.732 . 0 0 "[ ]" 1
164 1 9 VAL QG 1 10 LEU H . . 6.110 2.751 2.751 2.751 . 0 0 "[ ]" 1
165 1 9 VAL QG 1 13 LEU H . . 8.590 4.284 4.284 4.284 . 0 0 "[ ]" 1
166 1 9 VAL QG 1 52 PHE HZ . . 7.330 2.331 2.331 2.331 . 0 0 "[ ]" 1
167 1 9 VAL QG 1 73 ILE H . . 7.330 3.520 3.520 3.520 . 0 0 "[ ]" 1
168 1 9 VAL QG 1 73 ILE HA . . 5.290 2.167 2.167 2.167 . 0 0 "[ ]" 1
169 1 9 VAL MG1 1 10 LEU H . . 7.030 2.795 2.795 2.795 . 0 0 "[ ]" 1
170 1 9 VAL MG1 1 73 ILE HA . . 5.590 2.188 2.188 2.188 . 0 0 "[ ]" 1
171 1 9 VAL MG2 1 10 LEU H . . 7.030 4.114 4.114 4.114 . 0 0 "[ ]" 1
172 1 9 VAL MG2 1 73 ILE HA . . 5.590 3.495 3.495 3.495 . 0 0 "[ ]" 1
173 1 10 LEU H 1 10 LEU HB2 . . 3.700 2.033 2.033 2.033 . 0 0 "[ ]" 1
174 1 10 LEU H 1 10 LEU QB . . 3.240 2.003 2.003 2.003 . 0 0 "[ ]" 1
175 1 10 LEU H 1 10 LEU HB3 . . 3.700 3.006 3.006 3.006 . 0 0 "[ ]" 1
176 1 10 LEU H 1 10 LEU MD1 . . 5.160 3.933 3.933 3.933 . 0 0 "[ ]" 1
177 1 10 LEU H 1 10 LEU QD . . 4.800 3.645 3.645 3.645 . 0 0 "[ ]" 1
178 1 10 LEU H 1 10 LEU MD2 . . 5.160 4.311 4.311 4.311 . 0 0 "[ ]" 1
179 1 10 LEU H 1 10 LEU HG . . 4.600 3.912 3.912 3.912 . 0 0 "[ ]" 1
180 1 10 LEU H 1 11 ASP H . . 3.980 2.626 2.626 2.626 . 0 0 "[ ]" 1
181 1 10 LEU H 1 11 ASP QB . . 5.510 4.246 4.246 4.246 . 0 0 "[ ]" 1
182 1 10 LEU H 1 73 ILE QG . . 6.880 3.936 3.936 3.936 . 0 0 "[ ]" 1
183 1 10 LEU HA 1 10 LEU MD1 . . 4.360 3.684 3.684 3.684 . 0 0 "[ ]" 1
184 1 10 LEU HA 1 10 LEU QD . . 3.830 2.498 2.498 2.498 . 0 0 "[ ]" 1
185 1 10 LEU HA 1 10 LEU MD2 . . 4.360 2.541 2.541 2.541 . 0 0 "[ ]" 1
186 1 10 LEU HA 1 10 LEU HG . . 2.980 2.280 2.280 2.280 . 0 0 "[ ]" 1
187 1 10 LEU HA 1 13 LEU H . . 3.590 3.018 3.018 3.018 . 0 0 "[ ]" 1
188 1 10 LEU HA 1 13 LEU HB2 . . 3.800 2.011 2.011 2.011 . 0 0 "[ ]" 1
189 1 10 LEU HA 1 13 LEU QB . . 3.540 2.000 2.000 2.000 . 0 0 "[ ]" 1
190 1 10 LEU HA 1 13 LEU HB3 . . 3.800 3.540 3.540 3.540 . 0 0 "[ ]" 1
191 1 10 LEU HA 1 14 ALA H . . 4.200 4.018 4.018 4.018 . 0 0 "[ ]" 1
192 1 10 LEU HA 1 14 ALA MB . . 6.420 4.948 4.948 4.948 . 0 0 "[ ]" 1
193 1 10 LEU QB 1 11 ASP H . . 3.690 2.673 2.673 2.673 . 0 0 "[ ]" 1
194 1 10 LEU HB2 1 11 ASP H . . 4.060 3.397 3.397 3.397 . 0 0 "[ ]" 1
195 1 10 LEU HB3 1 11 ASP H . . 4.060 2.797 2.797 2.797 . 0 0 "[ ]" 1
196 1 10 LEU QD 1 11 ASP H . . 6.390 3.917 3.917 3.917 . 0 0 "[ ]" 1
197 1 10 LEU QD 1 11 ASP QB . . 7.890 4.795 4.795 4.795 . 0 0 "[ ]" 1
198 1 10 LEU QD 1 12 ILE H . . 8.600 5.030 5.030 5.030 . 0 0 "[ ]" 1
199 1 10 LEU QD 1 13 LEU HA . . 7.450 5.165 5.165 5.165 . 0 0 "[ ]" 1
200 1 10 LEU QD 1 13 LEU QB . . 5.700 2.696 2.696 2.696 . 0 0 "[ ]" 1
201 1 10 LEU QD 1 14 ALA H . . 5.930 3.179 3.179 3.179 . 0 0 "[ ]" 1
202 1 10 LEU QD 1 23 LYS HA . . 4.480 1.828 1.828 1.828 . 0 0 "[ ]" 1
203 1 10 LEU QD 1 69 PRO QG . . 8.750 4.004 4.004 4.004 . 0 0 "[ ]" 1
204 1 10 LEU MD1 1 11 ASP H . . 6.810 4.793 4.793 4.793 . 0 0 "[ ]" 1
205 1 10 LEU MD1 1 13 LEU HB2 . . 7.660 4.981 4.981 4.981 . 0 0 "[ ]" 1
206 1 10 LEU MD1 1 13 LEU HB3 . . 7.660 5.623 5.623 5.623 . 0 0 "[ ]" 1
207 1 10 LEU MD1 1 14 ALA H . . 7.030 5.892 5.892 5.892 . 0 0 "[ ]" 1
208 1 10 LEU MD1 1 23 LYS HA . . 4.980 3.809 3.809 3.809 . 0 0 "[ ]" 1
209 1 10 LEU MD2 1 11 ASP H . . 6.810 4.155 4.155 4.155 . 0 0 "[ ]" 1
210 1 10 LEU MD2 1 13 LEU HB2 . . 7.660 2.872 2.872 2.872 . 0 0 "[ ]" 1
211 1 10 LEU MD2 1 13 LEU HB3 . . 7.660 3.336 3.336 3.336 . 0 0 "[ ]" 1
212 1 10 LEU MD2 1 14 ALA H . . 7.030 3.192 3.192 3.192 . 0 0 "[ ]" 1
213 1 10 LEU MD2 1 23 LYS HA . . 4.980 1.832 1.832 1.832 . 0 0 "[ ]" 1
214 1 11 ASP H 1 11 ASP HB2 . . 3.370 2.076 2.076 2.076 . 0 0 "[ ]" 1
215 1 11 ASP H 1 11 ASP QB . . 3.150 2.036 2.036 2.036 . 0 0 "[ ]" 1
216 1 11 ASP H 1 11 ASP HB3 . . 3.370 2.944 2.944 2.944 . 0 0 "[ ]" 1
217 1 11 ASP H 1 12 ILE H . . 3.660 2.720 2.720 2.720 . 0 0 "[ ]" 1
218 1 11 ASP H 1 13 LEU H . . 4.630 3.832 3.832 3.832 . 0 0 "[ ]" 1
219 1 11 ASP H 1 14 ALA MB . . 7.030 5.096 5.096 5.096 . 0 0 "[ ]" 1
220 1 11 ASP HA 1 13 LEU H . . 4.850 3.949 3.949 3.949 . 0 0 "[ ]" 1
221 1 11 ASP HA 1 14 ALA H . . 3.620 3.602 3.602 3.602 . 0 0 "[ ]" 1
222 1 11 ASP HA 1 14 ALA MB . . 4.540 3.154 3.154 3.154 . 0 0 "[ ]" 1
223 1 11 ASP HA 1 15 ASP H . . 4.130 4.192 4.192 4.192 0.062 1 0 "[ ]" 1
224 1 11 ASP HB2 1 12 ILE H . . 3.840 3.513 3.513 3.513 . 0 0 "[ ]" 1
225 1 11 ASP HB3 1 12 ILE H . . 3.840 2.729 2.729 2.729 . 0 0 "[ ]" 1
226 1 12 ILE H 1 12 ILE HB . . 3.340 2.049 2.049 2.049 . 0 0 "[ ]" 1
227 1 12 ILE H 1 12 ILE MD . . 5.410 3.303 3.303 3.303 . 0 0 "[ ]" 1
228 1 12 ILE H 1 12 ILE HG12 . . 4.810 4.373 4.373 4.373 . 0 0 "[ ]" 1
229 1 12 ILE H 1 12 ILE QG . . 4.280 3.251 3.251 3.251 . 0 0 "[ ]" 1
230 1 12 ILE H 1 12 ILE HG13 . . 4.810 3.353 3.353 3.353 . 0 0 "[ ]" 1
231 1 12 ILE H 1 13 LEU H . . 3.620 2.434 2.434 2.434 . 0 0 "[ ]" 1
232 1 12 ILE H 1 14 ALA H . . 5.640 4.479 4.479 4.479 . 0 0 "[ ]" 1
233 1 12 ILE HA 1 12 ILE HG12 . . 3.800 2.862 2.862 2.862 . 0 0 "[ ]" 1
234 1 12 ILE HA 1 12 ILE QG . . 3.590 2.050 2.050 2.050 . 0 0 "[ ]" 1
235 1 12 ILE HA 1 12 ILE HG13 . . 3.800 2.101 2.101 2.101 . 0 0 "[ ]" 1
236 1 12 ILE HA 1 13 LEU H . . 3.590 3.490 3.490 3.490 . 0 0 "[ ]" 1
237 1 12 ILE HA 1 15 ASP H . . 3.950 3.428 3.428 3.428 . 0 0 "[ ]" 1
238 1 12 ILE HA 1 15 ASP QB . . 4.610 2.477 2.477 2.477 . 0 0 "[ ]" 1
239 1 12 ILE HA 1 16 LEU H . . 4.450 3.976 3.976 3.976 . 0 0 "[ ]" 1
240 1 12 ILE MD 1 13 LEU H . . 7.030 4.957 4.957 4.957 . 0 0 "[ ]" 1
241 1 12 ILE MD 1 47 GLU QB . . 5.670 2.292 2.292 2.292 . 0 0 "[ ]" 1
242 1 12 ILE MD 1 47 GLU QG . . 7.900 2.080 2.080 2.080 . 0 0 "[ ]" 1
243 1 12 ILE MD 1 51 GLN QB . . 6.750 3.971 3.971 3.971 . 0 0 "[ ]" 1
244 1 12 ILE MD 1 51 GLN HE21 . . 6.490 3.953 3.953 3.953 . 0 0 "[ ]" 1
245 1 12 ILE MD 1 51 GLN QE . . 6.360 3.857 3.857 3.857 . 0 0 "[ ]" 1
246 1 12 ILE MD 1 51 GLN HE22 . . 6.490 5.374 5.374 5.374 . 0 0 "[ ]" 1
247 1 12 ILE MD 1 51 GLN HG2 . . 5.910 4.868 4.868 4.868 . 0 0 "[ ]" 1
248 1 12 ILE MD 1 51 GLN QG . . 5.050 3.487 3.487 3.487 . 0 0 "[ ]" 1
249 1 12 ILE MD 1 51 GLN HG3 . . 5.910 3.572 3.572 3.572 . 0 0 "[ ]" 1
250 1 12 ILE MD 1 52 PHE HZ . . 4.800 3.249 3.249 3.249 . 0 0 "[ ]" 1
251 1 12 ILE QG 1 15 ASP H . . 6.840 5.113 5.113 5.113 . 0 0 "[ ]" 1
252 1 12 ILE QG 1 47 GLU QB . . 6.520 2.990 2.990 2.990 . 0 0 "[ ]" 1
253 1 12 ILE QG 1 47 GLU QG . . 7.750 2.629 2.629 2.629 . 0 0 "[ ]" 1
254 1 12 ILE QG 1 51 GLN QE . . 7.740 5.517 5.517 5.517 . 0 0 "[ ]" 1
255 1 12 ILE HG12 1 47 GLU HB2 . . 7.750 3.603 3.603 3.603 . 0 0 "[ ]" 1
256 1 12 ILE HG12 1 47 GLU HB3 . . 7.750 3.292 3.292 3.292 . 0 0 "[ ]" 1
257 1 12 ILE HG13 1 47 GLU HB2 . . 7.750 5.216 5.216 5.216 . 0 0 "[ ]" 1
258 1 12 ILE HG13 1 47 GLU HB3 . . 7.750 4.595 4.595 4.595 . 0 0 "[ ]" 1
259 1 12 ILE MG 1 13 LEU H . . 5.910 3.230 3.230 3.230 . 0 0 "[ ]" 1
260 1 12 ILE MG 1 15 ASP H . . 6.490 4.756 4.756 4.756 . 0 0 "[ ]" 1
261 1 12 ILE MG 1 16 LEU H . . 6.960 3.975 3.975 3.975 . 0 0 "[ ]" 1
262 1 12 ILE MG 1 47 GLU QG . . 7.830 3.860 3.860 3.860 . 0 0 "[ ]" 1
263 1 13 LEU H 1 13 LEU HB2 . . 3.590 2.070 2.070 2.070 . 0 0 "[ ]" 1
264 1 13 LEU H 1 13 LEU QB . . 3.190 2.051 2.051 2.051 . 0 0 "[ ]" 1
265 1 13 LEU H 1 13 LEU HB3 . . 3.590 3.363 3.363 3.363 . 0 0 "[ ]" 1
266 1 13 LEU H 1 14 ALA H . . 3.590 2.625 2.625 2.625 . 0 0 "[ ]" 1
267 1 13 LEU H 1 14 ALA HA . . 5.140 5.165 5.165 5.165 0.025 1 0 "[ ]" 1
268 1 13 LEU H 1 14 ALA MB . . 7.030 4.190 4.190 4.190 . 0 0 "[ ]" 1
269 1 13 LEU H 1 15 ASP H . . 4.700 3.700 3.700 3.700 . 0 0 "[ ]" 1
270 1 13 LEU HA 1 16 LEU H . . 3.620 3.179 3.179 3.179 . 0 0 "[ ]" 1
271 1 13 LEU HA 1 16 LEU HB2 . . 3.660 2.320 2.320 2.320 . 0 0 "[ ]" 1
272 1 13 LEU HA 1 16 LEU QB . . 3.390 2.285 2.285 2.285 . 0 0 "[ ]" 1
273 1 13 LEU HA 1 16 LEU HB3 . . 3.660 3.425 3.425 3.425 . 0 0 "[ ]" 1
274 1 13 LEU HA 1 17 THR H . . 4.130 4.196 4.196 4.196 0.066 1 0 "[ ]" 1
275 1 13 LEU HA 1 17 THR MG . . 5.300 3.925 3.925 3.925 . 0 0 "[ ]" 1
276 1 13 LEU QB 1 14 ALA H . . 3.630 2.527 2.527 2.527 . 0 0 "[ ]" 1
277 1 13 LEU QB 1 14 ALA MB . . 7.330 3.726 3.726 3.726 . 0 0 "[ ]" 1
278 1 13 LEU HB2 1 14 ALA H . . 3.840 2.748 2.748 2.748 . 0 0 "[ ]" 1
279 1 13 LEU HB3 1 14 ALA H . . 3.840 2.950 2.950 2.950 . 0 0 "[ ]" 1
280 1 14 ALA H 1 15 ASP H . . 3.440 2.711 2.711 2.711 . 0 0 "[ ]" 1
281 1 14 ALA H 1 15 ASP QB . . 5.870 4.356 4.356 4.356 . 0 0 "[ ]" 1
282 1 14 ALA H 1 16 LEU H . . 5.030 4.048 4.048 4.048 . 0 0 "[ ]" 1
283 1 14 ALA H 1 22 VAL QG . . 7.830 2.771 2.771 2.771 . 0 0 "[ ]" 1
284 1 14 ALA HA 1 15 ASP H . . 3.520 3.585 3.585 3.585 0.065 1 0 "[ ]" 1
285 1 14 ALA HA 1 17 THR H . . 3.550 3.598 3.598 3.598 0.048 1 0 "[ ]" 1
286 1 14 ALA HA 1 17 THR HG1 . . 3.050 2.670 2.670 2.670 . 0 0 "[ ]" 1
287 1 14 ALA HA 1 22 VAL QG . . 5.710 1.945 1.945 1.945 . 0 0 "[ ]" 1
288 1 14 ALA MB 1 15 ASP HA . . 5.950 3.823 3.823 3.823 . 0 0 "[ ]" 1
289 1 14 ALA MB 1 18 GLY H . . 7.030 4.300 4.300 4.300 . 0 0 "[ ]" 1
290 1 14 ALA MB 1 19 SER H . . 7.030 4.119 4.119 4.119 . 0 0 "[ ]" 1
291 1 14 ALA MB 1 20 ASP H . . 7.030 4.776 4.776 4.776 . 0 0 "[ ]" 1
292 1 14 ALA MB 1 20 ASP HA . . 4.690 2.755 2.755 2.755 . 0 0 "[ ]" 1
293 1 14 ALA MB 1 22 VAL QG . . 8.070 2.589 2.589 2.589 . 0 0 "[ ]" 1
294 1 14 ALA MB 1 23 LYS QG . . 4.700 3.283 3.283 3.283 . 0 0 "[ ]" 1
295 1 15 ASP H 1 16 LEU H . . 3.370 2.522 2.522 2.522 . 0 0 "[ ]" 1
296 1 15 ASP H 1 23 LYS QB . . 6.880 5.871 5.871 5.871 . 0 0 "[ ]" 1
297 1 15 ASP HA 1 16 LEU QD . . 8.130 5.848 5.848 5.848 . 0 0 "[ ]" 1
298 1 15 ASP QB 1 17 THR H . . 6.770 4.977 4.977 4.977 . 0 0 "[ ]" 1
299 1 16 LEU H 1 16 LEU HB2 . . 3.410 1.985 1.985 1.985 . 0 0 "[ ]" 1
300 1 16 LEU H 1 16 LEU QB . . 3.130 1.963 1.963 1.963 . 0 0 "[ ]" 1
301 1 16 LEU H 1 16 LEU HB3 . . 3.410 3.112 3.112 3.112 . 0 0 "[ ]" 1
302 1 16 LEU H 1 16 LEU HG . . 4.310 3.908 3.908 3.908 . 0 0 "[ ]" 1
303 1 16 LEU H 1 17 THR H . . 3.620 2.845 2.845 2.845 . 0 0 "[ ]" 1
304 1 16 LEU H 1 17 THR MG . . 7.030 3.995 3.995 3.995 . 0 0 "[ ]" 1
305 1 16 LEU H 1 18 GLY H . . 4.880 3.915 3.915 3.915 . 0 0 "[ ]" 1
306 1 16 LEU H 1 36 LEU QD . . 8.600 5.628 5.628 5.628 . 0 0 "[ ]" 1
307 1 16 LEU H 1 44 LEU QD . . 7.770 5.787 5.787 5.787 . 0 0 "[ ]" 1
308 1 16 LEU HA 1 16 LEU HG . . 2.900 2.072 2.072 2.072 . 0 0 "[ ]" 1
309 1 16 LEU QB 1 16 LEU HG . . 2.710 2.544 2.544 2.544 . 0 0 "[ ]" 1
310 1 16 LEU QB 1 17 THR H . . 3.690 2.462 2.462 2.462 . 0 0 "[ ]" 1
311 1 16 LEU QB 1 18 GLY H . . 6.010 4.498 4.498 4.498 . 0 0 "[ ]" 1
312 1 16 LEU QB 1 36 LEU QB . . 6.890 4.990 4.990 4.990 . 0 0 "[ ]" 1
313 1 16 LEU QB 1 36 LEU QD . . 7.090 3.046 3.046 3.046 . 0 0 "[ ]" 1
314 1 16 LEU QB 1 40 GLY QA . . 7.750 4.519 4.519 4.519 . 0 0 "[ ]" 1
315 1 16 LEU HB2 1 17 THR H . . 3.910 3.162 3.162 3.162 . 0 0 "[ ]" 1
316 1 16 LEU HB2 1 36 LEU MD1 . . 8.910 4.274 4.274 4.274 . 0 0 "[ ]" 1
317 1 16 LEU HB2 1 36 LEU MD2 . . 8.910 6.185 6.185 6.185 . 0 0 "[ ]" 1
318 1 16 LEU HB3 1 17 THR H . . 3.910 2.568 2.568 2.568 . 0 0 "[ ]" 1
319 1 16 LEU HB3 1 36 LEU MD1 . . 8.910 3.153 3.153 3.153 . 0 0 "[ ]" 1
320 1 16 LEU HB3 1 36 LEU MD2 . . 8.910 5.183 5.183 5.183 . 0 0 "[ ]" 1
321 1 16 LEU QD 1 43 GLN QE . . 9.000 5.393 5.393 5.393 . 0 0 "[ ]" 1
322 1 16 LEU HG 1 17 THR H . . 5.100 4.860 4.860 4.860 . 0 0 "[ ]" 1
323 1 17 THR H 1 17 THR HB . . 3.910 3.498 3.498 3.498 . 0 0 "[ ]" 1
324 1 17 THR H 1 17 THR HG1 . . 3.770 3.049 3.049 3.049 . 0 0 "[ ]" 1
325 1 17 THR H 1 17 THR MG . . 4.220 1.957 1.957 1.957 . 0 0 "[ ]" 1
326 1 17 THR H 1 18 GLY H . . 3.370 2.570 2.570 2.570 . 0 0 "[ ]" 1
327 1 17 THR H 1 18 GLY QA . . 5.720 4.393 4.393 4.393 . 0 0 "[ ]" 1
328 1 17 THR H 1 19 SER H . . 4.240 4.036 4.036 4.036 . 0 0 "[ ]" 1
329 1 17 THR H 1 36 LEU QD . . 8.600 4.804 4.804 4.804 . 0 0 "[ ]" 1
330 1 17 THR HA 1 17 THR HB . . 2.510 2.424 2.424 2.424 . 0 0 "[ ]" 1
331 1 17 THR HA 1 19 SER H . . 4.630 4.478 4.478 4.478 . 0 0 "[ ]" 1
332 1 17 THR HA 1 30 LEU QD . . 7.270 4.867 4.867 4.867 . 0 0 "[ ]" 1
333 1 17 THR HB 1 18 GLY H . . 4.160 3.953 3.953 3.953 . 0 0 "[ ]" 1
334 1 17 THR HB 1 19 SER H . . 4.340 3.582 3.582 3.582 . 0 0 "[ ]" 1
335 1 17 THR HB 1 19 SER QB . . 6.880 3.585 3.585 3.585 . 0 0 "[ ]" 1
336 1 17 THR HB 1 30 LEU QD . . 8.600 4.372 4.372 4.372 . 0 0 "[ ]" 1
337 1 17 THR HB 1 35 LEU HA . . 3.660 3.681 3.681 3.681 0.021 1 0 "[ ]" 1
338 1 17 THR HB 1 35 LEU HB2 . . 5.460 3.569 3.569 3.569 . 0 0 "[ ]" 1
339 1 17 THR HB 1 35 LEU QB . . 4.740 2.052 2.052 2.052 . 0 0 "[ ]" 1
340 1 17 THR HB 1 35 LEU HB3 . . 5.460 2.065 2.065 2.065 . 0 0 "[ ]" 1
341 1 17 THR HB 1 35 LEU QD . . 6.370 1.806 1.806 1.806 . 0 0 "[ ]" 1
342 1 17 THR HB 1 35 LEU HG . . 6.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
343 1 17 THR HG1 1 18 GLY H . . 5.280 3.312 3.312 3.312 . 0 0 "[ ]" 1
344 1 17 THR HG1 1 19 SER H . . 4.490 2.675 2.675 2.675 . 0 0 "[ ]" 1
345 1 17 THR HG1 1 22 VAL MG1 . . 6.670 1.971 1.971 1.971 . 0 0 "[ ]" 1
346 1 17 THR HG1 1 22 VAL QG . . 5.830 1.968 1.968 1.968 . 0 0 "[ ]" 1
347 1 17 THR HG1 1 22 VAL MG2 . . 6.670 4.470 4.470 4.470 . 0 0 "[ ]" 1
348 1 17 THR MG 1 18 GLY H . . 6.700 3.623 3.623 3.623 . 0 0 "[ ]" 1
349 1 17 THR MG 1 19 SER H . . 6.880 3.972 3.972 3.972 . 0 0 "[ ]" 1
350 1 17 THR MG 1 19 SER QB . . 7.900 4.481 4.481 4.481 . 0 0 "[ ]" 1
351 1 17 THR MG 1 30 LEU QD . . 7.000 2.258 2.258 2.258 . 0 0 "[ ]" 1
352 1 17 THR MG 1 35 LEU HA . . 5.230 4.247 4.247 4.247 . 0 0 "[ ]" 1
353 1 17 THR MG 1 35 LEU QB . . 5.740 2.076 2.076 2.076 . 0 0 "[ ]" 1
354 1 18 GLY H 1 19 SER H . . 3.480 2.246 2.246 2.246 . 0 0 "[ ]" 1
355 1 18 GLY H 1 19 SER QB . . 6.230 4.411 4.411 4.411 . 0 0 "[ ]" 1
356 1 19 SER H 1 20 ASP H . . 4.520 4.452 4.452 4.452 . 0 0 "[ ]" 1
357 1 19 SER HA 1 20 ASP H . . 3.230 2.462 2.462 2.462 . 0 0 "[ ]" 1
358 1 19 SER QB 1 21 ASP H . . 5.220 2.393 2.393 2.393 . 0 0 "[ ]" 1
359 1 19 SER QB 1 22 VAL H . . 6.410 4.094 4.094 4.094 . 0 0 "[ ]" 1
360 1 19 SER QB 1 22 VAL QG . . 8.460 4.346 4.346 4.346 . 0 0 "[ ]" 1
361 1 20 ASP H 1 20 ASP HB2 . . 3.300 3.126 3.126 3.126 . 0 0 "[ ]" 1
362 1 20 ASP H 1 20 ASP QB . . 3.070 2.912 2.912 2.912 . 0 0 "[ ]" 1
363 1 20 ASP H 1 20 ASP HB3 . . 3.300 3.472 3.472 3.472 0.172 1 0 "[ ]" 1
364 1 20 ASP H 1 21 ASP HA . . 4.810 4.687 4.687 4.687 . 0 0 "[ ]" 1
365 1 20 ASP HA 1 20 ASP HB2 . . 3.010 2.914 2.914 2.914 . 0 0 "[ ]" 1
366 1 20 ASP HA 1 20 ASP HB3 . . 3.010 2.272 2.272 2.272 . 0 0 "[ ]" 1
367 1 20 ASP HA 1 22 VAL H . . 3.950 3.953 3.953 3.953 0.003 1 0 "[ ]" 1
368 1 20 ASP HA 1 22 VAL QG . . 6.790 3.794 3.794 3.794 . 0 0 "[ ]" 1
369 1 20 ASP HA 1 23 LYS H . . 3.910 3.007 3.007 3.007 . 0 0 "[ ]" 1
370 1 20 ASP HA 1 23 LYS QD . . 5.900 3.841 3.841 3.841 . 0 0 "[ ]" 1
371 1 20 ASP HA 1 23 LYS QG . . 6.480 4.211 4.211 4.211 . 0 0 "[ ]" 1
372 1 20 ASP QB 1 23 LYS QD . . 6.080 2.591 2.591 2.591 . 0 0 "[ ]" 1
373 1 20 ASP HB2 1 23 LYS HD2 . . 7.180 3.563 3.563 3.563 . 0 0 "[ ]" 1
374 1 20 ASP HB2 1 23 LYS HD3 . . 7.180 4.478 4.478 4.478 . 0 0 "[ ]" 1
375 1 20 ASP HB3 1 23 LYS HD2 . . 7.180 2.715 2.715 2.715 . 0 0 "[ ]" 1
376 1 20 ASP HB3 1 23 LYS HD3 . . 7.180 4.132 4.132 4.132 . 0 0 "[ ]" 1
377 1 21 ASP H 1 21 ASP HB2 . . 3.160 2.124 2.124 2.124 . 0 0 "[ ]" 1
378 1 21 ASP H 1 21 ASP HB3 . . 3.160 3.086 3.086 3.086 . 0 0 "[ ]" 1
379 1 21 ASP H 1 22 VAL H . . 3.340 2.285 2.285 2.285 . 0 0 "[ ]" 1
380 1 21 ASP H 1 23 LYS H . . 5.030 3.309 3.309 3.309 . 0 0 "[ ]" 1
381 1 21 ASP H 1 24 LYS H . . 5.170 5.011 5.011 5.011 . 0 0 "[ ]" 1
382 1 21 ASP QB 1 22 VAL H . . 3.780 2.597 2.597 2.597 . 0 0 "[ ]" 1
383 1 21 ASP QB 1 28 LEU QD . . 5.490 1.767 1.767 1.767 . 0 0 "[ ]" 1
384 1 21 ASP HB2 1 22 VAL H . . 4.020 3.139 3.139 3.139 . 0 0 "[ ]" 1
385 1 21 ASP HB2 1 28 LEU MD1 . . 6.160 4.577 4.577 4.577 . 0 0 "[ ]" 1
386 1 21 ASP HB2 1 28 LEU MD2 . . 6.160 3.067 3.067 3.067 . 0 0 "[ ]" 1
387 1 21 ASP HB3 1 22 VAL H . . 4.020 2.771 2.771 2.771 . 0 0 "[ ]" 1
388 1 21 ASP HB3 1 28 LEU MD1 . . 6.160 3.309 3.309 3.309 . 0 0 "[ ]" 1
389 1 21 ASP HB3 1 28 LEU MD2 . . 6.160 1.787 1.787 1.787 . 0 0 "[ ]" 1
390 1 22 VAL H 1 22 VAL HB . . 3.770 2.599 2.599 2.599 . 0 0 "[ ]" 1
391 1 22 VAL H 1 22 VAL MG1 . . 4.760 1.937 1.937 1.937 . 0 0 "[ ]" 1
392 1 22 VAL H 1 22 VAL QG . . 4.130 1.931 1.931 1.931 . 0 0 "[ ]" 1
393 1 22 VAL H 1 22 VAL MG2 . . 4.760 3.728 3.728 3.728 . 0 0 "[ ]" 1
394 1 22 VAL H 1 23 LYS QB . . 4.540 4.072 4.072 4.072 . 0 0 "[ ]" 1
395 1 22 VAL H 1 28 LEU QD . . 8.420 2.972 2.972 2.972 . 0 0 "[ ]" 1
396 1 22 VAL H 1 69 PRO QG . . 6.880 5.732 5.732 5.732 . 0 0 "[ ]" 1
397 1 22 VAL HA 1 22 VAL HB . . 2.650 2.434 2.434 2.434 . 0 0 "[ ]" 1
398 1 22 VAL HA 1 24 LYS H . . 3.950 3.439 3.439 3.439 . 0 0 "[ ]" 1
399 1 22 VAL HA 1 25 ASN H . . 3.730 3.752 3.752 3.752 0.022 1 0 "[ ]" 1
400 1 22 VAL HA 1 25 ASN QD . . 6.870 5.069 5.069 5.069 . 0 0 "[ ]" 1
401 1 22 VAL HA 1 28 LEU QD . . 6.190 2.523 2.523 2.523 . 0 0 "[ ]" 1
402 1 22 VAL HA 1 69 PRO HG2 . . 4.670 4.733 4.733 4.733 0.063 1 0 "[ ]" 1
403 1 22 VAL HA 1 69 PRO QG . . 4.340 3.542 3.542 3.542 . 0 0 "[ ]" 1
404 1 22 VAL HA 1 69 PRO HG3 . . 4.670 3.658 3.658 3.658 . 0 0 "[ ]" 1
405 1 22 VAL HB 1 23 LYS H . . 4.310 4.198 4.198 4.198 . 0 0 "[ ]" 1
406 1 22 VAL QG 1 23 LYS H . . 5.260 2.256 2.256 2.256 . 0 0 "[ ]" 1
407 1 22 VAL QG 1 23 LYS HA . . 8.300 3.291 3.291 3.291 . 0 0 "[ ]" 1
408 1 22 VAL QG 1 69 PRO QD . . 8.060 3.112 3.112 3.112 . 0 0 "[ ]" 1
409 1 22 VAL QG 1 69 PRO QG . . 7.520 1.794 1.794 1.794 . 0 0 "[ ]" 1
410 1 22 VAL MG1 1 23 LYS H . . 5.980 2.268 2.268 2.268 . 0 0 "[ ]" 1
411 1 22 VAL MG1 1 69 PRO HD2 . . 9.970 6.746 6.746 6.746 . 0 0 "[ ]" 1
412 1 22 VAL MG1 1 69 PRO HD3 . . 9.970 5.793 5.793 5.793 . 0 0 "[ ]" 1
413 1 22 VAL MG2 1 23 LYS H . . 5.980 4.010 4.010 4.010 . 0 0 "[ ]" 1
414 1 22 VAL MG2 1 69 PRO HD2 . . 9.970 4.139 4.139 4.139 . 0 0 "[ ]" 1
415 1 22 VAL MG2 1 69 PRO HD3 . . 9.970 3.240 3.240 3.240 . 0 0 "[ ]" 1
416 1 23 LYS H 1 24 LYS H . . 3.370 2.665 2.665 2.665 . 0 0 "[ ]" 1
417 1 24 LYS H 1 24 LYS HB2 . . 3.550 3.247 3.247 3.247 . 0 0 "[ ]" 1
418 1 24 LYS H 1 24 LYS HB3 . . 3.550 2.382 2.382 2.382 . 0 0 "[ ]" 1
419 1 24 LYS H 1 24 LYS QE . . 6.880 5.797 5.797 5.797 . 0 0 "[ ]" 1
420 1 24 LYS H 1 24 LYS HG2 . . 5.240 4.778 4.778 4.778 . 0 0 "[ ]" 1
421 1 24 LYS H 1 24 LYS QG . . 4.870 3.867 3.867 3.867 . 0 0 "[ ]" 1
422 1 24 LYS H 1 24 LYS HG3 . . 5.240 4.086 4.086 4.086 . 0 0 "[ ]" 1
423 1 24 LYS H 1 25 ASN H . . 3.300 2.586 2.586 2.586 . 0 0 "[ ]" 1
424 1 24 LYS HA 1 24 LYS QG . . 3.910 3.265 3.265 3.265 . 0 0 "[ ]" 1
425 1 24 LYS HA 1 26 LEU QD . . 8.130 4.230 4.230 4.230 . 0 0 "[ ]" 1
426 1 24 LYS HA 1 26 LEU HG . . 4.670 4.411 4.411 4.411 . 0 0 "[ ]" 1
427 1 24 LYS HB2 1 25 ASN H . . 3.910 3.747 3.747 3.747 . 0 0 "[ ]" 1
428 1 24 LYS HB3 1 25 ASN H . . 3.910 2.356 2.356 2.356 . 0 0 "[ ]" 1
429 1 24 LYS QD 1 25 ASN H . . 6.880 3.284 3.284 3.284 . 0 0 "[ ]" 1
430 1 24 LYS QD 1 27 ASP H . . 6.880 6.020 6.020 6.020 . 0 0 "[ ]" 1
431 1 24 LYS QG 1 25 ASN H . . 6.880 2.321 2.321 2.321 . 0 0 "[ ]" 1
432 1 25 ASN H 1 25 ASN HB2 . . 3.520 2.156 2.156 2.156 . 0 0 "[ ]" 1
433 1 25 ASN H 1 25 ASN HB3 . . 3.520 3.452 3.452 3.452 . 0 0 "[ ]" 1
434 1 25 ASN H 1 26 LEU H . . 4.630 4.588 4.588 4.588 . 0 0 "[ ]" 1
435 1 25 ASN HA 1 25 ASN HB2 . . 3.050 2.976 2.976 2.976 . 0 0 "[ ]" 1
436 1 25 ASN HA 1 25 ASN HB3 . . 3.050 2.801 2.801 2.801 . 0 0 "[ ]" 1
437 1 25 ASN HA 1 26 LEU H . . 2.720 2.275 2.275 2.275 . 0 0 "[ ]" 1
438 1 25 ASN HA 1 27 ASP H . . 3.950 3.681 3.681 3.681 . 0 0 "[ ]" 1
439 1 25 ASN QB 1 27 ASP H . . 6.050 2.409 2.409 2.409 . 0 0 "[ ]" 1
440 1 25 ASN QB 1 28 LEU H . . 4.540 2.878 2.878 2.878 . 0 0 "[ ]" 1
441 1 25 ASN QB 1 28 LEU HA . . 5.400 3.574 3.574 3.574 . 0 0 "[ ]" 1
442 1 25 ASN QB 1 28 LEU QB . . 5.820 1.882 1.882 1.882 . 0 0 "[ ]" 1
443 1 25 ASN QB 1 28 LEU QD . . 6.060 2.704 2.704 2.704 . 0 0 "[ ]" 1
444 1 25 ASN HB2 1 28 LEU H . . 4.880 4.319 4.319 4.319 . 0 0 "[ ]" 1
445 1 25 ASN HB2 1 28 LEU QB . . 5.940 2.494 2.494 2.494 . 0 0 "[ ]" 1
446 1 25 ASN HB2 1 28 LEU MD1 . . 6.630 3.265 3.265 3.265 . 0 0 "[ ]" 1
447 1 25 ASN HB2 1 28 LEU MD2 . . 6.630 3.258 3.258 3.258 . 0 0 "[ ]" 1
448 1 25 ASN HB3 1 28 LEU H . . 4.880 2.922 2.922 2.922 . 0 0 "[ ]" 1
449 1 25 ASN HB3 1 28 LEU QB . . 5.940 1.948 1.948 1.948 . 0 0 "[ ]" 1
450 1 25 ASN HB3 1 28 LEU MD1 . . 6.630 3.451 3.451 3.451 . 0 0 "[ ]" 1
451 1 25 ASN HB3 1 28 LEU MD2 . . 6.630 3.855 3.855 3.855 . 0 0 "[ ]" 1
452 1 25 ASN QD 1 28 LEU H . . 6.870 4.133 4.133 4.133 . 0 0 "[ ]" 1
453 1 25 ASN QD 1 28 LEU HA . . 6.650 3.089 3.089 3.089 . 0 0 "[ ]" 1
454 1 25 ASN QD 1 28 LEU QD . . 7.510 2.196 2.196 2.196 . 0 0 "[ ]" 1
455 1 25 ASN HD21 1 28 LEU MD1 . . 9.340 2.245 2.245 2.245 . 0 0 "[ ]" 1
456 1 25 ASN HD21 1 28 LEU MD2 . . 9.340 3.999 3.999 3.999 . 0 0 "[ ]" 1
457 1 25 ASN HD22 1 28 LEU MD1 . . 9.340 3.273 3.273 3.273 . 0 0 "[ ]" 1
458 1 25 ASN HD22 1 28 LEU MD2 . . 9.340 5.219 5.219 5.219 . 0 0 "[ ]" 1
459 1 26 LEU H 1 26 LEU HG . . 3.950 2.854 2.854 2.854 . 0 0 "[ ]" 1
460 1 26 LEU H 1 27 ASP H . . 3.550 2.586 2.586 2.586 . 0 0 "[ ]" 1
461 1 26 LEU H 1 28 LEU H . . 4.670 4.542 4.542 4.542 . 0 0 "[ ]" 1
462 1 26 LEU HA 1 26 LEU HG . . 3.590 2.754 2.754 2.754 . 0 0 "[ ]" 1
463 1 26 LEU HA 1 28 LEU H . . 3.840 3.869 3.869 3.869 0.029 1 0 "[ ]" 1
464 1 26 LEU HA 1 69 PRO QB . . 4.100 3.438 3.438 3.438 . 0 0 "[ ]" 1
465 1 26 LEU HA 1 69 PRO QG . . 4.360 1.962 1.962 1.962 . 0 0 "[ ]" 1
466 1 26 LEU HA 1 70 ASN H . . 3.980 3.951 3.951 3.951 . 0 0 "[ ]" 1
467 1 26 LEU QB 1 69 PRO QB . . 7.430 4.428 4.428 4.428 . 0 0 "[ ]" 1
468 1 26 LEU QB 1 70 ASN H . . 6.300 3.939 3.939 3.939 . 0 0 "[ ]" 1
469 1 26 LEU QB 1 70 ASN HA . . 6.010 3.910 3.910 3.910 . 0 0 "[ ]" 1
470 1 26 LEU QB 1 70 ASN HB2 . . 6.880 3.275 3.275 3.275 . 0 0 "[ ]" 1
471 1 26 LEU QB 1 70 ASN HB3 . . 6.880 4.353 4.353 4.353 . 0 0 "[ ]" 1
472 1 26 LEU QB 1 70 ASN HD21 . . 6.590 2.750 2.750 2.750 . 0 0 "[ ]" 1
473 1 26 LEU QB 1 70 ASN QD . . 6.370 2.292 2.292 2.292 . 0 0 "[ ]" 1
474 1 26 LEU QB 1 70 ASN HD22 . . 6.590 2.453 2.453 2.453 . 0 0 "[ ]" 1
475 1 26 LEU QD 1 27 ASP H . . 8.130 4.621 4.621 4.621 . 0 0 "[ ]" 1
476 1 26 LEU QD 1 69 PRO QG . . 8.680 3.452 3.452 3.452 . 0 0 "[ ]" 1
477 1 26 LEU QD 1 70 ASN H . . 8.020 4.298 4.298 4.298 . 0 0 "[ ]" 1
478 1 26 LEU QD 1 70 ASN HB2 . . 8.130 4.211 4.211 4.211 . 0 0 "[ ]" 1
479 1 26 LEU QD 1 70 ASN HB3 . . 8.130 4.928 4.928 4.928 . 0 0 "[ ]" 1
480 1 26 LEU QD 1 70 ASN HD21 . . 8.130 3.840 3.840 3.840 . 0 0 "[ ]" 1
481 1 26 LEU QD 1 70 ASN HD22 . . 8.130 2.929 2.929 2.929 . 0 0 "[ ]" 1
482 1 27 ASP H 1 27 ASP HB2 . . 3.480 2.849 2.849 2.849 . 0 0 "[ ]" 1
483 1 27 ASP H 1 27 ASP QB . . 3.280 2.716 2.716 2.716 . 0 0 "[ ]" 1
484 1 27 ASP H 1 27 ASP HB3 . . 3.480 3.423 3.423 3.423 . 0 0 "[ ]" 1
485 1 27 ASP H 1 28 LEU H . . 3.230 2.110 2.110 2.110 . 0 0 "[ ]" 1
486 1 27 ASP H 1 28 LEU HA . . 4.700 4.028 4.028 4.028 . 0 0 "[ ]" 1
487 1 27 ASP H 1 68 THR HB . . 6.000 5.181 5.181 5.181 . 0 0 "[ ]" 1
488 1 27 ASP H 1 68 THR MG . . 6.420 4.442 4.442 4.442 . 0 0 "[ ]" 1
489 1 27 ASP H 1 69 PRO QG . . 6.880 3.364 3.364 3.364 . 0 0 "[ ]" 1
490 1 27 ASP HA 1 28 LEU H . . 3.620 2.946 2.946 2.946 . 0 0 "[ ]" 1
491 1 27 ASP HA 1 68 THR HA . . 4.160 4.197 4.197 4.197 0.037 1 0 "[ ]" 1
492 1 27 ASP HA 1 68 THR HB . . 3.080 2.700 2.700 2.700 . 0 0 "[ ]" 1
493 1 27 ASP HA 1 68 THR HG1 . . 4.450 4.387 4.387 4.387 . 0 0 "[ ]" 1
494 1 27 ASP HA 1 68 THR MG . . 4.720 2.395 2.395 2.395 . 0 0 "[ ]" 1
495 1 27 ASP HA 1 69 PRO HD2 . . 5.350 2.429 2.429 2.429 . 0 0 "[ ]" 1
496 1 27 ASP HA 1 69 PRO QD . . 4.980 2.395 2.395 2.395 . 0 0 "[ ]" 1
497 1 27 ASP HA 1 69 PRO HD3 . . 5.350 3.641 3.641 3.641 . 0 0 "[ ]" 1
498 1 27 ASP HA 1 70 ASN H . . 4.130 3.769 3.769 3.769 . 0 0 "[ ]" 1
499 1 27 ASP HA 1 70 ASN HB2 . . 5.680 3.672 3.672 3.672 . 0 0 "[ ]" 1
500 1 27 ASP HA 1 70 ASN QB . . 5.410 3.599 3.599 3.599 . 0 0 "[ ]" 1
501 1 27 ASP HA 1 70 ASN HB3 . . 5.680 5.176 5.176 5.176 . 0 0 "[ ]" 1
502 1 27 ASP HA 1 70 ASN HD21 . . 6.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
503 1 27 ASP HA 1 70 ASN QD . . 5.760 4.376 4.376 4.376 . 0 0 "[ ]" 1
504 1 27 ASP HA 1 70 ASN HD22 . . 6.000 5.956 5.956 5.956 . 0 0 "[ ]" 1
505 1 27 ASP QB 1 29 ASN QD . . 6.820 3.992 3.992 3.992 . 0 0 "[ ]" 1
506 1 27 ASP HB2 1 28 LEU H . . 4.310 4.373 4.373 4.373 0.063 1 0 "[ ]" 1
507 1 27 ASP HB2 1 29 ASN HD21 . . 7.750 6.308 6.308 6.308 . 0 0 "[ ]" 1
508 1 27 ASP HB2 1 29 ASN HD22 . . 7.750 6.042 6.042 6.042 . 0 0 "[ ]" 1
509 1 27 ASP HB3 1 28 LEU H . . 4.310 4.222 4.222 4.222 . 0 0 "[ ]" 1
510 1 27 ASP HB3 1 29 ASN HD21 . . 7.750 4.892 4.892 4.892 . 0 0 "[ ]" 1
511 1 27 ASP HB3 1 29 ASN HD22 . . 7.750 4.400 4.400 4.400 . 0 0 "[ ]" 1
512 1 28 LEU H 1 28 LEU HG . . 5.530 4.398 4.398 4.398 . 0 0 "[ ]" 1
513 1 28 LEU H 1 29 ASN H . . 4.130 4.243 4.243 4.243 0.113 1 0 "[ ]" 1
514 1 28 LEU H 1 68 THR HA . . 5.030 4.289 4.289 4.289 . 0 0 "[ ]" 1
515 1 28 LEU H 1 68 THR HB . . 5.860 4.500 4.500 4.500 . 0 0 "[ ]" 1
516 1 28 LEU H 1 68 THR MG . . 7.030 3.495 3.495 3.495 . 0 0 "[ ]" 1
517 1 28 LEU H 1 69 PRO QB . . 6.880 4.706 4.706 4.706 . 0 0 "[ ]" 1
518 1 28 LEU H 1 69 PRO QG . . 6.880 2.750 2.750 2.750 . 0 0 "[ ]" 1
519 1 28 LEU HA 1 29 ASN H . . 2.690 2.222 2.222 2.222 . 0 0 "[ ]" 1
520 1 28 LEU HA 1 29 ASN QB . . 5.650 4.515 4.515 4.515 . 0 0 "[ ]" 1
521 1 28 LEU QB 1 29 ASN H . . 5.260 4.044 4.044 4.044 . 0 0 "[ ]" 1
522 1 28 LEU QB 1 30 LEU HG . . 5.290 4.398 4.398 4.398 . 0 0 "[ ]" 1
523 1 28 LEU QB 1 69 PRO HD2 . . 6.880 4.463 4.463 4.463 . 0 0 "[ ]" 1
524 1 28 LEU QB 1 69 PRO HD3 . . 6.880 3.594 3.594 3.594 . 0 0 "[ ]" 1
525 1 28 LEU QD 1 29 ASN H . . 5.690 3.548 3.548 3.548 . 0 0 "[ ]" 1
526 1 28 LEU QD 1 29 ASN QD . . 8.640 4.757 4.757 4.757 . 0 0 "[ ]" 1
527 1 28 LEU QD 1 30 LEU HA . . 7.660 4.080 4.080 4.080 . 0 0 "[ ]" 1
528 1 28 LEU MD1 1 29 ASN H . . 6.420 3.626 3.626 3.626 . 0 0 "[ ]" 1
529 1 28 LEU MD2 1 29 ASN H . . 6.420 5.026 5.026 5.026 . 0 0 "[ ]" 1
530 1 28 LEU HG 1 29 ASN H . . 4.880 3.671 3.671 3.671 . 0 0 "[ ]" 1
531 1 28 LEU HG 1 30 LEU QD . . 6.910 4.440 4.440 4.440 . 0 0 "[ ]" 1
532 1 28 LEU HG 1 33 THR H . . 5.640 5.064 5.064 5.064 . 0 0 "[ ]" 1
533 1 29 ASN H 1 29 ASN HB2 . . 3.410 2.827 2.827 2.827 . 0 0 "[ ]" 1
534 1 29 ASN H 1 29 ASN QB . . 3.240 2.719 2.719 2.719 . 0 0 "[ ]" 1
535 1 29 ASN H 1 29 ASN HB3 . . 3.410 3.532 3.532 3.532 0.122 1 0 "[ ]" 1
536 1 29 ASN H 1 30 LEU H . . 4.740 4.442 4.442 4.442 . 0 0 "[ ]" 1
537 1 29 ASN H 1 33 THR MG . . 6.240 4.990 4.990 4.990 . 0 0 "[ ]" 1
538 1 29 ASN H 1 68 THR MG . . 7.030 3.414 3.414 3.414 . 0 0 "[ ]" 1
539 1 29 ASN HA 1 30 LEU H . . 2.690 2.256 2.256 2.256 . 0 0 "[ ]" 1
540 1 29 ASN HA 1 30 LEU QB . . 5.470 4.515 4.515 4.515 . 0 0 "[ ]" 1
541 1 29 ASN HA 1 30 LEU HG . . 4.850 3.896 3.896 3.896 . 0 0 "[ ]" 1
542 1 29 ASN HA 1 31 PHE H . . 4.200 3.317 3.317 3.317 . 0 0 "[ ]" 1
543 1 29 ASN HA 1 33 THR H . . 4.850 4.869 4.869 4.869 0.019 1 0 "[ ]" 1
544 1 29 ASN HA 1 67 ASP QB . . 6.880 4.487 4.487 4.487 . 0 0 "[ ]" 1
545 1 29 ASN HA 1 68 THR HA . . 3.520 3.354 3.354 3.354 . 0 0 "[ ]" 1
546 1 29 ASN HA 1 68 THR MG . . 4.330 2.539 2.539 2.539 . 0 0 "[ ]" 1
547 1 29 ASN QB 1 32 GLU H . . 4.300 1.912 1.912 1.912 . 0 0 "[ ]" 1
548 1 29 ASN QB 1 32 GLU QB . . 5.120 1.858 1.858 1.858 . 0 0 "[ ]" 1
549 1 29 ASN QB 1 33 THR MG . . 6.570 4.463 4.463 4.463 . 0 0 "[ ]" 1
550 1 29 ASN QB 1 68 THR MG . . 6.680 3.952 3.952 3.952 . 0 0 "[ ]" 1
551 1 29 ASN HB2 1 30 LEU H . . 4.700 4.288 4.288 4.288 . 0 0 "[ ]" 1
552 1 29 ASN HB2 1 32 GLU H . . 4.670 2.538 2.538 2.538 . 0 0 "[ ]" 1
553 1 29 ASN HB2 1 32 GLU HB2 . . 6.000 2.577 2.577 2.577 . 0 0 "[ ]" 1
554 1 29 ASN HB2 1 32 GLU HB3 . . 6.000 2.157 2.157 2.157 . 0 0 "[ ]" 1
555 1 29 ASN HB2 1 33 THR MG . . 7.030 4.615 4.615 4.615 . 0 0 "[ ]" 1
556 1 29 ASN HB3 1 30 LEU H . . 4.700 3.722 3.722 3.722 . 0 0 "[ ]" 1
557 1 29 ASN HB3 1 32 GLU H . . 4.670 1.977 1.977 1.977 . 0 0 "[ ]" 1
558 1 29 ASN HB3 1 32 GLU HB2 . . 6.000 2.174 2.174 2.174 . 0 0 "[ ]" 1
559 1 29 ASN HB3 1 32 GLU HB3 . . 6.000 2.965 2.965 2.965 . 0 0 "[ ]" 1
560 1 29 ASN HB3 1 33 THR MG . . 7.030 5.926 5.926 5.926 . 0 0 "[ ]" 1
561 1 29 ASN QD 1 67 ASP HA . . 6.870 5.876 5.876 5.876 . 0 0 "[ ]" 1
562 1 29 ASN QD 1 67 ASP QB . . 6.820 4.849 4.849 4.849 . 0 0 "[ ]" 1
563 1 29 ASN QD 1 68 THR MG . . 6.810 2.180 2.180 2.180 . 0 0 "[ ]" 1
564 1 29 ASN HD21 1 32 GLU H . . 6.000 4.965 4.965 4.965 . 0 0 "[ ]" 1
565 1 29 ASN HD21 1 67 ASP HB2 . . 7.750 5.906 5.906 5.906 . 0 0 "[ ]" 1
566 1 29 ASN HD21 1 67 ASP HB3 . . 7.750 5.581 5.581 5.581 . 0 0 "[ ]" 1
567 1 29 ASN HD21 1 68 THR MG . . 7.030 2.228 2.228 2.228 . 0 0 "[ ]" 1
568 1 29 ASN HD22 1 32 GLU H . . 6.000 5.788 5.788 5.788 . 0 0 "[ ]" 1
569 1 29 ASN HD22 1 67 ASP HB2 . . 7.750 7.003 7.003 7.003 . 0 0 "[ ]" 1
570 1 29 ASN HD22 1 67 ASP HB3 . . 7.750 6.622 6.622 6.622 . 0 0 "[ ]" 1
571 1 29 ASN HD22 1 68 THR MG . . 7.030 3.094 3.094 3.094 . 0 0 "[ ]" 1
572 1 30 LEU H 1 30 LEU MD1 . . 5.520 3.032 3.032 3.032 . 0 0 "[ ]" 1
573 1 30 LEU H 1 30 LEU QD . . 5.100 2.905 2.905 2.905 . 0 0 "[ ]" 1
574 1 30 LEU H 1 30 LEU MD2 . . 5.520 3.722 3.722 3.722 . 0 0 "[ ]" 1
575 1 30 LEU H 1 30 LEU HG . . 3.840 2.227 2.227 2.227 . 0 0 "[ ]" 1
576 1 30 LEU H 1 31 PHE H . . 3.880 2.571 2.571 2.571 . 0 0 "[ ]" 1
577 1 30 LEU H 1 31 PHE QD . . 8.120 3.938 3.938 3.938 . 0 0 "[ ]" 1
578 1 30 LEU H 1 32 GLU H . . 4.920 4.354 4.354 4.354 . 0 0 "[ ]" 1
579 1 30 LEU H 1 67 ASP HA . . 4.090 3.480 3.480 3.480 . 0 0 "[ ]" 1
580 1 30 LEU H 1 67 ASP QB . . 6.660 4.412 4.412 4.412 . 0 0 "[ ]" 1
581 1 30 LEU H 1 68 THR HA . . 3.440 3.116 3.116 3.116 . 0 0 "[ ]" 1
582 1 30 LEU H 1 68 THR MG . . 6.270 3.662 3.662 3.662 . 0 0 "[ ]" 1
583 1 30 LEU H 1 69 PRO HD2 . . 6.000 5.634 5.634 5.634 . 0 0 "[ ]" 1
584 1 30 LEU H 1 69 PRO HD3 . . 6.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
585 1 30 LEU HA 1 30 LEU HG . . 3.410 2.803 2.803 2.803 . 0 0 "[ ]" 1
586 1 30 LEU HA 1 32 GLU H . . 5.210 5.054 5.054 5.054 . 0 0 "[ ]" 1
587 1 30 LEU HA 1 35 LEU H . . 4.560 3.764 3.764 3.764 . 0 0 "[ ]" 1
588 1 30 LEU HA 1 35 LEU HB2 . . 4.630 2.674 2.674 2.674 . 0 0 "[ ]" 1
589 1 30 LEU HA 1 35 LEU QB . . 4.490 2.638 2.638 2.638 . 0 0 "[ ]" 1
590 1 30 LEU HA 1 35 LEU HB3 . . 4.630 4.030 4.030 4.030 . 0 0 "[ ]" 1
591 1 30 LEU HA 1 35 LEU QD . . 6.040 3.498 3.498 3.498 . 0 0 "[ ]" 1
592 1 30 LEU HA 1 36 LEU H . . 4.990 3.803 3.803 3.803 . 0 0 "[ ]" 1
593 1 30 LEU QB 1 31 PHE H . . 5.400 3.389 3.389 3.389 . 0 0 "[ ]" 1
594 1 30 LEU QB 1 36 LEU H . . 6.880 3.802 3.802 3.802 . 0 0 "[ ]" 1
595 1 30 LEU QB 1 36 LEU QB . . 7.210 2.050 2.050 2.050 . 0 0 "[ ]" 1
596 1 30 LEU QB 1 67 ASP HA . . 5.620 3.074 3.074 3.074 . 0 0 "[ ]" 1
597 1 30 LEU QB 1 68 THR H . . 6.880 5.044 5.044 5.044 . 0 0 "[ ]" 1
598 1 30 LEU QD 1 31 PHE H . . 8.600 4.370 4.370 4.370 . 0 0 "[ ]" 1
599 1 30 LEU QD 1 32 GLU H . . 8.600 5.873 5.873 5.873 . 0 0 "[ ]" 1
600 1 30 LEU QD 1 35 LEU H . . 8.600 4.985 4.985 4.985 . 0 0 "[ ]" 1
601 1 30 LEU QD 1 35 LEU QB . . 7.120 3.074 3.074 3.074 . 0 0 "[ ]" 1
602 1 30 LEU QD 1 67 ASP HA . . 5.660 3.093 3.093 3.093 . 0 0 "[ ]" 1
603 1 30 LEU QD 1 68 THR H . . 8.600 3.393 3.393 3.393 . 0 0 "[ ]" 1
604 1 30 LEU QD 1 68 THR HA . . 5.230 2.562 2.562 2.562 . 0 0 "[ ]" 1
605 1 30 LEU QD 1 69 PRO HA . . 7.120 2.930 2.930 2.930 . 0 0 "[ ]" 1
606 1 30 LEU QD 1 69 PRO QB . . 7.820 3.070 3.070 3.070 . 0 0 "[ ]" 1
607 1 30 LEU QD 1 69 PRO QD . . 5.270 2.869 2.869 2.869 . 0 0 "[ ]" 1
608 1 30 LEU QD 1 69 PRO QG . . 8.030 3.319 3.319 3.319 . 0 0 "[ ]" 1
609 1 30 LEU MD1 1 35 LEU HB2 . . 8.760 5.679 5.679 5.679 . 0 0 "[ ]" 1
610 1 30 LEU MD1 1 35 LEU HB3 . . 8.760 6.078 6.078 6.078 . 0 0 "[ ]" 1
611 1 30 LEU MD1 1 67 ASP HA . . 6.450 3.111 3.111 3.111 . 0 0 "[ ]" 1
612 1 30 LEU MD1 1 68 THR HA . . 6.020 2.586 2.586 2.586 . 0 0 "[ ]" 1
613 1 30 LEU MD1 1 69 PRO HD2 . . 6.490 4.217 4.217 4.217 . 0 0 "[ ]" 1
614 1 30 LEU MD1 1 69 PRO HD3 . . 6.490 3.111 3.111 3.111 . 0 0 "[ ]" 1
615 1 30 LEU MD2 1 35 LEU HB2 . . 8.760 3.370 3.370 3.370 . 0 0 "[ ]" 1
616 1 30 LEU MD2 1 35 LEU HB3 . . 8.760 3.607 3.607 3.607 . 0 0 "[ ]" 1
617 1 30 LEU MD2 1 67 ASP HA . . 6.450 5.461 5.461 5.461 . 0 0 "[ ]" 1
618 1 30 LEU MD2 1 68 THR HA . . 6.020 4.160 4.160 4.160 . 0 0 "[ ]" 1
619 1 30 LEU MD2 1 69 PRO HD2 . . 6.490 5.027 5.027 5.027 . 0 0 "[ ]" 1
620 1 30 LEU MD2 1 69 PRO HD3 . . 6.490 3.614 3.614 3.614 . 0 0 "[ ]" 1
621 1 30 LEU HG 1 31 PHE H . . 6.000 4.531 4.531 4.531 . 0 0 "[ ]" 1
622 1 30 LEU HG 1 68 THR HA . . 3.550 2.865 2.865 2.865 . 0 0 "[ ]" 1
623 1 30 LEU HG 1 69 PRO HD2 . . 4.990 4.759 4.759 4.759 . 0 0 "[ ]" 1
624 1 30 LEU HG 1 69 PRO QD . . 4.510 3.043 3.043 3.043 . 0 0 "[ ]" 1
625 1 30 LEU HG 1 69 PRO HD3 . . 4.990 3.079 3.079 3.079 . 0 0 "[ ]" 1
626 1 31 PHE H 1 31 PHE HB2 . . 3.590 2.169 2.169 2.169 . 0 0 "[ ]" 1
627 1 31 PHE H 1 31 PHE QB . . 3.390 2.145 2.145 2.145 . 0 0 "[ ]" 1
628 1 31 PHE H 1 31 PHE HB3 . . 3.590 3.383 3.383 3.383 . 0 0 "[ ]" 1
629 1 31 PHE H 1 32 GLU H . . 3.160 2.151 2.151 2.151 . 0 0 "[ ]" 1
630 1 31 PHE H 1 32 GLU HA . . 4.920 4.721 4.721 4.721 . 0 0 "[ ]" 1
631 1 31 PHE H 1 32 GLU QB . . 5.620 3.859 3.859 3.859 . 0 0 "[ ]" 1
632 1 31 PHE H 1 32 GLU QG . . 6.880 5.560 5.560 5.560 . 0 0 "[ ]" 1
633 1 31 PHE H 1 33 THR H . . 4.670 3.085 3.085 3.085 . 0 0 "[ ]" 1
634 1 31 PHE H 1 67 ASP HA . . 4.420 4.049 4.049 4.049 . 0 0 "[ ]" 1
635 1 31 PHE H 1 67 ASP HB2 . . 5.820 4.754 4.754 4.754 . 0 0 "[ ]" 1
636 1 31 PHE H 1 67 ASP QB . . 5.610 4.547 4.547 4.547 . 0 0 "[ ]" 1
637 1 31 PHE H 1 67 ASP HB3 . . 5.820 5.787 5.787 5.787 . 0 0 "[ ]" 1
638 1 31 PHE HA 1 33 THR H . . 3.730 3.755 3.755 3.755 0.025 1 0 "[ ]" 1
639 1 31 PHE HA 1 34 GLY H . . 3.590 3.234 3.234 3.234 . 0 0 "[ ]" 1
640 1 31 PHE HA 1 35 LEU H . . 4.880 4.385 4.385 4.385 . 0 0 "[ ]" 1
641 1 31 PHE HA 1 36 LEU H . . 4.380 3.323 3.323 3.323 . 0 0 "[ ]" 1
642 1 31 PHE HA 1 36 LEU QB . . 6.700 3.382 3.382 3.382 . 0 0 "[ ]" 1
643 1 31 PHE QB 1 32 GLU H . . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
644 1 31 PHE QB 1 67 ASP HA . . 6.300 3.705 3.705 3.705 . 0 0 "[ ]" 1
645 1 31 PHE HB2 1 32 GLU H . . 3.700 2.559 2.559 2.559 . 0 0 "[ ]" 1
646 1 31 PHE HB2 1 63 ARG QD . . 6.880 5.950 5.950 5.950 . 0 0 "[ ]" 1
647 1 31 PHE HB3 1 32 GLU H . . 3.700 2.961 2.961 2.961 . 0 0 "[ ]" 1
648 1 31 PHE HB3 1 63 ARG QD . . 6.880 5.714 5.714 5.714 . 0 0 "[ ]" 1
649 1 31 PHE QD 1 32 GLU H . . 8.120 4.394 4.394 4.394 . 0 0 "[ ]" 1
650 1 31 PHE QD 1 63 ARG QD . . 9.000 4.770 4.770 4.770 . 0 0 "[ ]" 1
651 1 31 PHE QE 1 36 LEU H . . 8.120 6.244 6.244 6.244 . 0 0 "[ ]" 1
652 1 31 PHE QE 1 36 LEU HB2 . . 8.120 5.176 5.176 5.176 . 0 0 "[ ]" 1
653 1 31 PHE QE 1 36 LEU HB3 . . 8.120 4.130 4.130 4.130 . 0 0 "[ ]" 1
654 1 31 PHE QE 1 36 LEU MD1 . . 9.150 4.107 4.107 4.107 . 0 0 "[ ]" 1
655 1 31 PHE QE 1 36 LEU MD2 . . 9.150 3.555 3.555 3.555 . 0 0 "[ ]" 1
656 1 31 PHE QE 1 37 ASP HA . . 8.050 4.727 4.727 4.727 . 0 0 "[ ]" 1
657 1 31 PHE QE 1 63 ARG HA . . 8.120 3.791 3.791 3.791 . 0 0 "[ ]" 1
658 1 31 PHE QE 1 66 TRP H . . 8.120 5.230 5.230 5.230 . 0 0 "[ ]" 1
659 1 31 PHE QE 1 67 ASP HA . . 8.120 3.367 3.367 3.367 . 0 0 "[ ]" 1
660 1 32 GLU H 1 32 GLU HB2 . . 3.300 2.087 2.087 2.087 . 0 0 "[ ]" 1
661 1 32 GLU H 1 32 GLU HB3 . . 3.300 2.995 2.995 2.995 . 0 0 "[ ]" 1
662 1 32 GLU H 1 32 GLU HG2 . . 4.780 4.357 4.357 4.357 . 0 0 "[ ]" 1
663 1 32 GLU H 1 32 GLU QG . . 4.340 3.659 3.659 3.659 . 0 0 "[ ]" 1
664 1 32 GLU H 1 32 GLU HG3 . . 4.780 3.932 3.932 3.932 . 0 0 "[ ]" 1
665 1 32 GLU H 1 33 THR H . . 3.520 2.611 2.611 2.611 . 0 0 "[ ]" 1
666 1 32 GLU H 1 33 THR HA . . 5.100 5.148 5.148 5.148 0.048 1 0 "[ ]" 1
667 1 32 GLU H 1 33 THR MG . . 7.030 5.755 5.755 5.755 . 0 0 "[ ]" 1
668 1 32 GLU H 1 34 GLY H . . 4.990 4.030 4.030 4.030 . 0 0 "[ ]" 1
669 1 32 GLU HA 1 32 GLU HB2 . . 3.010 2.755 2.755 2.755 . 0 0 "[ ]" 1
670 1 32 GLU HA 1 32 GLU HB3 . . 3.010 2.977 2.977 2.977 . 0 0 "[ ]" 1
671 1 32 GLU HA 1 32 GLU HG2 . . 4.200 2.354 2.354 2.354 . 0 0 "[ ]" 1
672 1 32 GLU HA 1 32 GLU QG . . 3.860 2.191 2.191 2.191 . 0 0 "[ ]" 1
673 1 32 GLU HA 1 32 GLU HG3 . . 4.200 2.611 2.611 2.611 . 0 0 "[ ]" 1
674 1 32 GLU HA 1 34 GLY H . . 3.770 3.855 3.855 3.855 0.085 1 0 "[ ]" 1
675 1 32 GLU QB 1 33 THR H . . 4.110 3.257 3.257 3.257 . 0 0 "[ ]" 1
676 1 32 GLU HB2 1 33 THR H . . 4.270 3.893 3.893 3.893 . 0 0 "[ ]" 1
677 1 32 GLU HB3 1 33 THR H . . 4.270 3.492 3.492 3.492 . 0 0 "[ ]" 1
678 1 33 THR H 1 34 GLY H . . 3.800 2.187 2.187 2.187 . 0 0 "[ ]" 1
679 1 33 THR H 1 34 GLY QA . . 6.010 4.115 4.115 4.115 . 0 0 "[ ]" 1
680 1 33 THR HA 1 34 GLY H . . 3.480 3.437 3.437 3.437 . 0 0 "[ ]" 1
681 1 33 THR HB 1 34 GLY H . . 3.980 3.342 3.342 3.342 . 0 0 "[ ]" 1
682 1 33 THR HB 1 35 LEU H . . 4.520 2.544 2.544 2.544 . 0 0 "[ ]" 1
683 1 33 THR HB 1 35 LEU HG . . 4.340 2.829 2.829 2.829 . 0 0 "[ ]" 1
684 1 33 THR MG 1 34 GLY H . . 4.870 4.148 4.148 4.148 . 0 0 "[ ]" 1
685 1 34 GLY H 1 36 LEU H . . 3.800 3.656 3.656 3.656 . 0 0 "[ ]" 1
686 1 35 LEU H 1 35 LEU HB2 . . 3.700 2.222 2.222 2.222 . 0 0 "[ ]" 1
687 1 35 LEU H 1 35 LEU QB . . 3.390 2.198 2.198 2.198 . 0 0 "[ ]" 1
688 1 35 LEU H 1 35 LEU HB3 . . 3.700 3.487 3.487 3.487 . 0 0 "[ ]" 1
689 1 35 LEU H 1 35 LEU MD1 . . 5.520 3.817 3.817 3.817 . 0 0 "[ ]" 1
690 1 35 LEU H 1 35 LEU MD2 . . 5.520 3.568 3.568 3.568 . 0 0 "[ ]" 1
691 1 35 LEU H 1 35 LEU HG . . 4.090 2.676 2.676 2.676 . 0 0 "[ ]" 1
692 1 35 LEU H 1 36 LEU H . . 3.480 2.527 2.527 2.527 . 0 0 "[ ]" 1
693 1 35 LEU HA 1 35 LEU HB2 . . 2.940 3.003 3.003 3.003 0.063 1 0 "[ ]" 1
694 1 35 LEU HA 1 35 LEU HB3 . . 2.940 2.590 2.590 2.590 . 0 0 "[ ]" 1
695 1 35 LEU HB2 1 36 LEU H . . 3.980 3.067 3.067 3.067 . 0 0 "[ ]" 1
696 1 35 LEU HB3 1 36 LEU H . . 3.980 3.795 3.795 3.795 . 0 0 "[ ]" 1
697 1 35 LEU HG 1 36 LEU H . . 6.000 4.779 4.779 4.779 . 0 0 "[ ]" 1
698 1 36 LEU H 1 36 LEU HB2 . . 3.660 2.492 2.492 2.492 . 0 0 "[ ]" 1
699 1 36 LEU H 1 36 LEU QB . . 3.430 2.385 2.385 2.385 . 0 0 "[ ]" 1
700 1 36 LEU H 1 36 LEU HB3 . . 3.660 3.043 3.043 3.043 . 0 0 "[ ]" 1
701 1 36 LEU H 1 36 LEU HG . . 5.710 4.360 4.360 4.360 . 0 0 "[ ]" 1
702 1 36 LEU HA 1 37 ASP H . . 2.580 2.428 2.428 2.428 . 0 0 "[ ]" 1
703 1 36 LEU HA 1 40 GLY QA . . 5.330 4.171 4.171 4.171 . 0 0 "[ ]" 1
704 1 36 LEU QB 1 37 ASP H . . 4.130 3.070 3.070 3.070 . 0 0 "[ ]" 1
705 1 36 LEU QB 1 38 SER QB . . 7.750 5.958 5.958 5.958 . 0 0 "[ ]" 1
706 1 36 LEU QB 1 40 GLY QA . . 6.490 4.825 4.825 4.825 . 0 0 "[ ]" 1
707 1 36 LEU HB2 1 37 ASP H . . 4.420 4.156 4.156 4.156 . 0 0 "[ ]" 1
708 1 36 LEU HB2 1 37 ASP HA . . 6.000 5.567 5.567 5.567 . 0 0 "[ ]" 1
709 1 36 LEU HB3 1 37 ASP H . . 4.420 3.162 3.162 3.162 . 0 0 "[ ]" 1
710 1 36 LEU HB3 1 37 ASP HA . . 6.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
711 1 36 LEU QD 1 37 ASP H . . 6.220 1.920 1.920 1.920 . 0 0 "[ ]" 1
712 1 36 LEU QD 1 39 MET H . . 8.490 4.277 4.277 4.277 . 0 0 "[ ]" 1
713 1 36 LEU QD 1 40 GLY H . . 8.600 2.839 2.839 2.839 . 0 0 "[ ]" 1
714 1 36 LEU QD 1 40 GLY QA . . 6.360 2.610 2.610 2.610 . 0 0 "[ ]" 1
715 1 36 LEU QD 1 41 THR HA . . 5.420 2.794 2.794 2.794 . 0 0 "[ ]" 1
716 1 36 LEU QD 1 42 VAL H . . 6.340 4.053 4.053 4.053 . 0 0 "[ ]" 1
717 1 36 LEU QD 1 44 LEU QB . . 9.470 3.837 3.837 3.837 . 0 0 "[ ]" 1
718 1 36 LEU MD1 1 37 ASP H . . 7.030 4.283 4.283 4.283 . 0 0 "[ ]" 1
719 1 36 LEU MD1 1 40 GLY QA . . 6.970 3.694 3.694 3.694 . 0 0 "[ ]" 1
720 1 36 LEU MD1 1 41 THR HA . . 5.700 3.281 3.281 3.281 . 0 0 "[ ]" 1
721 1 36 LEU MD1 1 42 VAL H . . 7.030 5.685 5.685 5.685 . 0 0 "[ ]" 1
722 1 36 LEU MD2 1 37 ASP H . . 7.030 1.922 1.922 1.922 . 0 0 "[ ]" 1
723 1 36 LEU MD2 1 40 GLY QA . . 6.970 2.668 2.668 2.668 . 0 0 "[ ]" 1
724 1 36 LEU MD2 1 41 THR HA . . 5.700 3.026 3.026 3.026 . 0 0 "[ ]" 1
725 1 36 LEU MD2 1 42 VAL H . . 7.030 4.149 4.149 4.149 . 0 0 "[ ]" 1
726 1 36 LEU HG 1 37 ASP H . . 6.000 3.061 3.061 3.061 . 0 0 "[ ]" 1
727 1 36 LEU HG 1 40 GLY QA . . 6.880 2.963 2.963 2.963 . 0 0 "[ ]" 1
728 1 37 ASP H 1 37 ASP HB2 . . 4.060 2.477 2.477 2.477 . 0 0 "[ ]" 1
729 1 37 ASP H 1 37 ASP QB . . 3.660 2.422 2.422 2.422 . 0 0 "[ ]" 1
730 1 37 ASP H 1 37 ASP HB3 . . 4.060 3.418 3.418 3.418 . 0 0 "[ ]" 1
731 1 37 ASP H 1 40 GLY H . . 4.270 3.406 3.406 3.406 . 0 0 "[ ]" 1
732 1 37 ASP H 1 40 GLY QA . . 4.860 3.820 3.820 3.820 . 0 0 "[ ]" 1
733 1 37 ASP H 1 41 THR H . . 4.490 4.235 4.235 4.235 . 0 0 "[ ]" 1
734 1 37 ASP QB 1 38 SER H . . 3.780 2.302 2.302 2.302 . 0 0 "[ ]" 1
735 1 37 ASP QB 1 39 MET H . . 4.710 3.146 3.146 3.146 . 0 0 "[ ]" 1
736 1 37 ASP QB 1 40 GLY H . . 5.190 3.706 3.706 3.706 . 0 0 "[ ]" 1
737 1 37 ASP HB2 1 38 SER H . . 4.060 2.590 2.590 2.590 . 0 0 "[ ]" 1
738 1 37 ASP HB2 1 39 MET H . . 4.880 3.865 3.865 3.865 . 0 0 "[ ]" 1
739 1 37 ASP HB2 1 40 GLY H . . 5.320 3.939 3.939 3.939 . 0 0 "[ ]" 1
740 1 37 ASP HB3 1 38 SER H . . 4.060 2.577 2.577 2.577 . 0 0 "[ ]" 1
741 1 37 ASP HB3 1 39 MET H . . 4.880 3.331 3.331 3.331 . 0 0 "[ ]" 1
742 1 37 ASP HB3 1 40 GLY H . . 5.320 4.515 4.515 4.515 . 0 0 "[ ]" 1
743 1 38 SER H 1 39 MET H . . 4.020 2.292 2.292 2.292 . 0 0 "[ ]" 1
744 1 38 SER HA 1 40 GLY H . . 4.520 4.151 4.151 4.151 . 0 0 "[ ]" 1
745 1 38 SER QB 1 41 THR MG . . 7.900 4.909 4.909 4.909 . 0 0 "[ ]" 1
746 1 39 MET H 1 39 MET QB . . 3.620 1.952 1.952 1.952 . 0 0 "[ ]" 1
747 1 39 MET H 1 39 MET HG2 . . 5.500 4.535 4.535 4.535 . 0 0 "[ ]" 1
748 1 39 MET H 1 39 MET HG3 . . 5.500 3.883 3.883 3.883 . 0 0 "[ ]" 1
749 1 39 MET H 1 40 GLY H . . 3.120 2.703 2.703 2.703 . 0 0 "[ ]" 1
750 1 39 MET HA 1 39 MET ME . . 4.220 3.378 3.378 3.378 . 0 0 "[ ]" 1
751 1 39 MET HA 1 42 VAL H . . 3.480 3.296 3.296 3.296 . 0 0 "[ ]" 1
752 1 39 MET HA 1 42 VAL HB . . 3.300 2.651 2.651 2.651 . 0 0 "[ ]" 1
753 1 39 MET HA 1 42 VAL QG . . 6.210 2.210 2.210 2.210 . 0 0 "[ ]" 1
754 1 39 MET HG2 1 40 GLY H . . 6.000 5.151 5.151 5.151 . 0 0 "[ ]" 1
755 1 39 MET HG3 1 40 GLY H . . 6.000 4.977 4.977 4.977 . 0 0 "[ ]" 1
756 1 40 GLY H 1 41 THR H . . 3.840 2.814 2.814 2.814 . 0 0 "[ ]" 1
757 1 40 GLY H 1 42 VAL H . . 5.140 4.029 4.029 4.029 . 0 0 "[ ]" 1
758 1 40 GLY QA 1 42 VAL H . . 5.800 3.944 3.944 3.944 . 0 0 "[ ]" 1
759 1 40 GLY QA 1 42 VAL QG . . 8.100 4.691 4.691 4.691 . 0 0 "[ ]" 1
760 1 40 GLY QA 1 43 GLN H . . 5.000 3.420 3.420 3.420 . 0 0 "[ ]" 1
761 1 40 GLY QA 1 43 GLN HB2 . . 4.610 3.733 3.733 3.733 . 0 0 "[ ]" 1
762 1 40 GLY QA 1 43 GLN HB3 . . 4.610 3.028 3.028 3.028 . 0 0 "[ ]" 1
763 1 40 GLY QA 1 43 GLN QG . . 7.750 4.705 4.705 4.705 . 0 0 "[ ]" 1
764 1 40 GLY QA 1 44 LEU H . . 5.510 3.751 3.751 3.751 . 0 0 "[ ]" 1
765 1 41 THR H 1 41 THR HB . . 3.230 1.946 1.946 1.946 . 0 0 "[ ]" 1
766 1 41 THR H 1 42 VAL H . . 3.550 2.712 2.712 2.712 . 0 0 "[ ]" 1
767 1 41 THR H 1 42 VAL QG . . 8.590 4.024 4.024 4.024 . 0 0 "[ ]" 1
768 1 41 THR H 1 43 GLN H . . 4.810 4.396 4.396 4.396 . 0 0 "[ ]" 1
769 1 41 THR H 1 44 LEU HG . . 6.000 5.613 5.613 5.613 . 0 0 "[ ]" 1
770 1 41 THR HA 1 41 THR HB . . 2.830 2.862 2.862 2.862 0.032 1 0 "[ ]" 1
771 1 41 THR HA 1 44 LEU H . . 3.800 3.549 3.549 3.549 . 0 0 "[ ]" 1
772 1 41 THR HA 1 44 LEU QB . . 4.720 2.825 2.825 2.825 . 0 0 "[ ]" 1
773 1 41 THR HA 1 44 LEU HG . . 4.700 2.927 2.927 2.927 . 0 0 "[ ]" 1
774 1 41 THR HA 1 72 ILE MD . . 5.880 4.869 4.869 4.869 . 0 0 "[ ]" 1
775 1 41 THR HB 1 42 VAL H . . 3.480 3.394 3.394 3.394 . 0 0 "[ ]" 1
776 1 41 THR HB 1 44 LEU QB . . 6.880 5.424 5.424 5.424 . 0 0 "[ ]" 1
777 1 41 THR MG 1 42 VAL H . . 4.830 2.503 2.503 2.503 . 0 0 "[ ]" 1
778 1 41 THR MG 1 42 VAL HA . . 5.980 2.977 2.977 2.977 . 0 0 "[ ]" 1
779 1 41 THR MG 1 44 LEU HG . . 5.370 4.086 4.086 4.086 . 0 0 "[ ]" 1
780 1 41 THR MG 1 45 LEU H . . 6.880 4.270 4.270 4.270 . 0 0 "[ ]" 1
781 1 41 THR MG 1 45 LEU MD1 . . 8.060 2.968 2.968 2.968 . 0 0 "[ ]" 1
782 1 41 THR MG 1 45 LEU QD . . 7.250 2.939 2.939 2.939 . 0 0 "[ ]" 1
783 1 41 THR MG 1 45 LEU MD2 . . 8.060 4.726 4.726 4.726 . 0 0 "[ ]" 1
784 1 41 THR MG 1 61 PHE QD . . 9.150 3.533 3.533 3.533 . 0 0 "[ ]" 1
785 1 41 THR MG 1 61 PHE QE . . 8.610 1.910 1.910 1.910 . 0 0 "[ ]" 1
786 1 41 THR MG 1 61 PHE HZ . . 5.160 2.292 2.292 2.292 . 0 0 "[ ]" 1
787 1 42 VAL H 1 42 VAL HB . . 3.050 2.399 2.399 2.399 . 0 0 "[ ]" 1
788 1 42 VAL H 1 43 GLN H . . 3.590 2.739 2.739 2.739 . 0 0 "[ ]" 1
789 1 42 VAL HA 1 45 LEU H . . 3.840 3.618 3.618 3.618 . 0 0 "[ ]" 1
790 1 42 VAL HA 1 45 LEU HB2 . . 4.200 2.658 2.658 2.658 . 0 0 "[ ]" 1
791 1 42 VAL HA 1 45 LEU QB . . 3.770 2.612 2.612 2.612 . 0 0 "[ ]" 1
792 1 42 VAL HA 1 45 LEU HB3 . . 4.200 3.836 3.836 3.836 . 0 0 "[ ]" 1
793 1 42 VAL HA 1 45 LEU QD . . 6.940 3.203 3.203 3.203 . 0 0 "[ ]" 1
794 1 42 VAL HA 1 45 LEU HG . . 5.210 4.442 4.442 4.442 . 0 0 "[ ]" 1
795 1 42 VAL HB 1 43 GLN H . . 3.190 2.501 2.501 2.501 . 0 0 "[ ]" 1
796 1 42 VAL QG 1 43 GLN H . . 5.460 3.194 3.194 3.194 . 0 0 "[ ]" 1
797 1 42 VAL QG 1 43 GLN QB . . 6.620 4.017 4.017 4.017 . 0 0 "[ ]" 1
798 1 42 VAL QG 1 43 GLN QG . . 9.460 4.984 4.984 4.984 . 0 0 "[ ]" 1
799 1 42 VAL QG 1 45 LEU QD . . 10.030 3.593 3.593 3.593 . 0 0 "[ ]" 1
800 1 42 VAL MG1 1 43 GLN H . . 6.270 3.412 3.412 3.412 . 0 0 "[ ]" 1
801 1 42 VAL MG1 1 43 GLN HB2 . . 8.380 4.438 4.438 4.438 . 0 0 "[ ]" 1
802 1 42 VAL MG1 1 43 GLN HB3 . . 8.380 5.240 5.240 5.240 . 0 0 "[ ]" 1
803 1 42 VAL MG2 1 43 GLN H . . 6.270 3.848 3.848 3.848 . 0 0 "[ ]" 1
804 1 42 VAL MG2 1 43 GLN HB2 . . 8.380 5.525 5.525 5.525 . 0 0 "[ ]" 1
805 1 42 VAL MG2 1 43 GLN HB3 . . 8.380 5.899 5.899 5.899 . 0 0 "[ ]" 1
806 1 43 GLN H 1 43 GLN HB2 . . 3.260 2.435 2.435 2.435 . 0 0 "[ ]" 1
807 1 43 GLN H 1 43 GLN QB . . 3.050 2.203 2.203 2.203 . 0 0 "[ ]" 1
808 1 43 GLN H 1 43 GLN HB3 . . 3.260 2.516 2.516 2.516 . 0 0 "[ ]" 1
809 1 43 GLN H 1 43 GLN QG . . 5.080 3.940 3.940 3.940 . 0 0 "[ ]" 1
810 1 43 GLN H 1 44 LEU H . . 3.590 2.832 2.832 2.832 . 0 0 "[ ]" 1
811 1 43 GLN H 1 44 LEU HG . . 5.930 5.366 5.366 5.366 . 0 0 "[ ]" 1
812 1 43 GLN H 1 45 LEU H . . 4.740 3.989 3.989 3.989 . 0 0 "[ ]" 1
813 1 43 GLN HA 1 43 GLN HB2 . . 3.010 2.492 2.492 2.492 . 0 0 "[ ]" 1
814 1 43 GLN HA 1 43 GLN HB3 . . 3.010 3.051 3.051 3.051 0.041 1 0 "[ ]" 1
815 1 43 GLN HA 1 44 LEU H . . 3.620 3.640 3.640 3.640 0.020 1 0 "[ ]" 1
816 1 43 GLN HA 1 46 LEU H . . 3.550 3.099 3.099 3.099 . 0 0 "[ ]" 1
817 1 43 GLN HA 1 46 LEU HB2 . . 3.520 2.597 2.597 2.597 . 0 0 "[ ]" 1
818 1 43 GLN HA 1 46 LEU QB . . 3.210 2.530 2.530 2.530 . 0 0 "[ ]" 1
819 1 43 GLN HA 1 46 LEU HB3 . . 3.520 3.488 3.488 3.488 . 0 0 "[ ]" 1
820 1 43 GLN HA 1 46 LEU QD . . 5.860 4.035 4.035 4.035 . 0 0 "[ ]" 1
821 1 43 GLN HA 1 46 LEU HG . . 4.740 4.274 4.274 4.274 . 0 0 "[ ]" 1
822 1 43 GLN HB2 1 44 LEU H . . 3.700 3.742 3.742 3.742 0.042 1 0 "[ ]" 1
823 1 43 GLN HB3 1 44 LEU H . . 3.700 2.336 2.336 2.336 . 0 0 "[ ]" 1
824 1 43 GLN QG 1 44 LEU H . . 6.880 3.429 3.429 3.429 . 0 0 "[ ]" 1
825 1 43 GLN QG 1 44 LEU QD . . 8.970 5.230 5.230 5.230 . 0 0 "[ ]" 1
826 1 43 GLN QG 1 47 GLU H . . 6.730 4.209 4.209 4.209 . 0 0 "[ ]" 1
827 1 43 GLN QG 1 48 LEU H . . 6.880 6.167 6.167 6.167 . 0 0 "[ ]" 1
828 1 44 LEU H 1 44 LEU HG . . 3.910 3.409 3.409 3.409 . 0 0 "[ ]" 1
829 1 44 LEU H 1 45 LEU H . . 3.620 2.853 2.853 2.853 . 0 0 "[ ]" 1
830 1 44 LEU H 1 45 LEU QD . . 8.600 5.562 5.562 5.562 . 0 0 "[ ]" 1
831 1 44 LEU HA 1 44 LEU QD . . 4.070 2.911 2.911 2.911 . 0 0 "[ ]" 1
832 1 44 LEU HA 1 47 GLU H . . 4.160 3.211 3.211 3.211 . 0 0 "[ ]" 1
833 1 44 LEU HA 1 47 GLU HB2 . . 4.200 2.745 2.745 2.745 . 0 0 "[ ]" 1
834 1 44 LEU HA 1 47 GLU QB . . 3.890 2.672 2.672 2.672 . 0 0 "[ ]" 1
835 1 44 LEU HA 1 47 GLU HB3 . . 4.200 3.673 3.673 3.673 . 0 0 "[ ]" 1
836 1 44 LEU HA 1 47 GLU QG . . 6.880 4.494 4.494 4.494 . 0 0 "[ ]" 1
837 1 44 LEU HA 1 48 LEU H . . 4.270 4.241 4.241 4.241 . 0 0 "[ ]" 1
838 1 44 LEU QB 1 45 LEU H . . 4.610 3.370 3.370 3.370 . 0 0 "[ ]" 1
839 1 44 LEU QD 1 47 GLU H . . 7.520 4.206 4.206 4.206 . 0 0 "[ ]" 1
840 1 44 LEU QD 1 47 GLU QB . . 6.490 3.754 3.754 3.754 . 0 0 "[ ]" 1
841 1 44 LEU QD 1 47 GLU QG . . 8.650 5.319 5.319 5.319 . 0 0 "[ ]" 1
842 1 44 LEU MD1 1 47 GLU HB2 . . 8.400 4.379 4.379 4.379 . 0 0 "[ ]" 1
843 1 44 LEU MD1 1 47 GLU HB3 . . 8.400 4.187 4.187 4.187 . 0 0 "[ ]" 1
844 1 44 LEU MD2 1 47 GLU HB2 . . 8.400 6.268 6.268 6.268 . 0 0 "[ ]" 1
845 1 44 LEU MD2 1 47 GLU HB3 . . 8.400 6.499 6.499 6.499 . 0 0 "[ ]" 1
846 1 44 LEU HG 1 45 LEU H . . 4.880 2.341 2.341 2.341 . 0 0 "[ ]" 1
847 1 44 LEU HG 1 45 LEU HA . . 4.600 3.249 3.249 3.249 . 0 0 "[ ]" 1
848 1 44 LEU HG 1 47 GLU H . . 6.000 5.230 5.230 5.230 . 0 0 "[ ]" 1
849 1 45 LEU H 1 45 LEU HB2 . . 3.550 1.992 1.992 1.992 . 0 0 "[ ]" 1
850 1 45 LEU H 1 45 LEU QB . . 3.240 1.975 1.975 1.975 . 0 0 "[ ]" 1
851 1 45 LEU H 1 45 LEU HB3 . . 3.550 3.243 3.243 3.243 . 0 0 "[ ]" 1
852 1 45 LEU H 1 45 LEU HG . . 3.410 3.422 3.422 3.422 0.012 1 0 "[ ]" 1
853 1 45 LEU HA 1 45 LEU HG . . 3.620 2.671 2.671 2.671 . 0 0 "[ ]" 1
854 1 45 LEU HA 1 47 GLU H . . 4.200 4.055 4.055 4.055 . 0 0 "[ ]" 1
855 1 45 LEU HA 1 48 LEU H . . 3.700 2.949 2.949 2.949 . 0 0 "[ ]" 1
856 1 45 LEU HA 1 48 LEU HB2 . . 3.910 2.079 2.079 2.079 . 0 0 "[ ]" 1
857 1 45 LEU HA 1 48 LEU QB . . 3.480 2.065 2.065 2.065 . 0 0 "[ ]" 1
858 1 45 LEU HA 1 48 LEU HB3 . . 3.910 3.542 3.542 3.542 . 0 0 "[ ]" 1
859 1 45 LEU HA 1 48 LEU QD . . 6.370 3.239 3.239 3.239 . 0 0 "[ ]" 1
860 1 45 LEU HA 1 49 GLN H . . 4.270 4.279 4.279 4.279 0.009 1 0 "[ ]" 1
861 1 45 LEU HA 1 49 GLN QB . . 4.860 4.297 4.297 4.297 . 0 0 "[ ]" 1
862 1 45 LEU QB 1 46 LEU H . . 4.460 2.843 2.843 2.843 . 0 0 "[ ]" 1
863 1 45 LEU QD 1 48 LEU H . . 8.600 3.941 3.941 3.941 . 0 0 "[ ]" 1
864 1 45 LEU QD 1 48 LEU HG . . 6.760 4.498 4.498 4.498 . 0 0 "[ ]" 1
865 1 45 LEU QD 1 56 ALA HA . . 8.420 4.160 4.160 4.160 . 0 0 "[ ]" 1
866 1 45 LEU QD 1 56 ALA MB . . 6.800 1.898 1.898 1.898 . 0 0 "[ ]" 1
867 1 45 LEU QD 1 57 PRO QD . . 6.360 4.149 4.149 4.149 . 0 0 "[ ]" 1
868 1 45 LEU QD 1 57 PRO QG . . 8.230 5.161 5.161 5.161 . 0 0 "[ ]" 1
869 1 45 LEU QD 1 58 VAL H . . 8.600 4.655 4.655 4.655 . 0 0 "[ ]" 1
870 1 45 LEU QD 1 58 VAL HA . . 6.980 3.448 3.448 3.448 . 0 0 "[ ]" 1
871 1 45 LEU QD 1 58 VAL HB . . 8.170 4.206 4.206 4.206 . 0 0 "[ ]" 1
872 1 45 LEU QD 1 58 VAL QG . . 10.650 1.863 1.863 1.863 . 0 0 "[ ]" 1
873 1 45 LEU QD 1 61 PHE QB . . 9.470 4.055 4.055 4.055 . 0 0 "[ ]" 1
874 1 45 LEU QD 1 61 PHE QD . . 8.470 3.427 3.427 3.427 . 0 0 "[ ]" 1
875 1 45 LEU QD 1 61 PHE HZ . . 8.600 5.663 5.663 5.663 . 0 0 "[ ]" 1
876 1 45 LEU QD 1 66 TRP HE3 . . 7.950 4.807 4.807 4.807 . 0 0 "[ ]" 1
877 1 45 LEU QD 1 66 TRP HH2 . . 7.910 3.679 3.679 3.679 . 0 0 "[ ]" 1
878 1 45 LEU MD1 1 56 ALA MB . . 7.440 2.853 2.853 2.853 . 0 0 "[ ]" 1
879 1 45 LEU MD1 1 57 PRO HD2 . . 7.030 4.844 4.844 4.844 . 0 0 "[ ]" 1
880 1 45 LEU MD1 1 57 PRO HD3 . . 7.030 5.684 5.684 5.684 . 0 0 "[ ]" 1
881 1 45 LEU MD1 1 57 PRO HG2 . . 10.170 5.912 5.912 5.912 . 0 0 "[ ]" 1
882 1 45 LEU MD1 1 57 PRO HG3 . . 10.170 6.674 6.674 6.674 . 0 0 "[ ]" 1
883 1 45 LEU MD1 1 61 PHE QD . . 8.750 3.462 3.462 3.462 . 0 0 "[ ]" 1
884 1 45 LEU MD1 1 61 PHE QE . . 9.150 4.017 4.017 4.017 . 0 0 "[ ]" 1
885 1 45 LEU MD2 1 56 ALA MB . . 7.440 1.927 1.927 1.927 . 0 0 "[ ]" 1
886 1 45 LEU MD2 1 57 PRO HD2 . . 7.030 5.070 5.070 5.070 . 0 0 "[ ]" 1
887 1 45 LEU MD2 1 57 PRO HD3 . . 7.030 5.669 5.669 5.669 . 0 0 "[ ]" 1
888 1 45 LEU MD2 1 57 PRO HG2 . . 10.170 6.707 6.707 6.707 . 0 0 "[ ]" 1
889 1 45 LEU MD2 1 57 PRO HG3 . . 10.170 7.197 7.197 7.197 . 0 0 "[ ]" 1
890 1 45 LEU MD2 1 61 PHE QD . . 8.750 5.505 5.505 5.505 . 0 0 "[ ]" 1
891 1 45 LEU MD2 1 61 PHE QE . . 9.150 6.268 6.268 6.268 . 0 0 "[ ]" 1
892 1 46 LEU H 1 46 LEU HB2 . . 3.190 2.049 2.049 2.049 . 0 0 "[ ]" 1
893 1 46 LEU H 1 46 LEU QB . . 2.940 2.012 2.012 2.012 . 0 0 "[ ]" 1
894 1 46 LEU H 1 46 LEU HB3 . . 3.190 2.940 2.940 2.940 . 0 0 "[ ]" 1
895 1 46 LEU H 1 46 LEU HG . . 4.380 4.400 4.400 4.400 0.020 1 0 "[ ]" 1
896 1 46 LEU H 1 47 GLU H . . 3.590 2.625 2.625 2.625 . 0 0 "[ ]" 1
897 1 46 LEU H 1 48 LEU H . . 4.960 3.843 3.843 3.843 . 0 0 "[ ]" 1
898 1 46 LEU H 1 49 GLN H . . 4.990 4.761 4.761 4.761 . 0 0 "[ ]" 1
899 1 46 LEU HA 1 46 LEU MD1 . . 3.930 2.581 2.581 2.581 . 0 0 "[ ]" 1
900 1 46 LEU HA 1 46 LEU QD . . 3.550 1.896 1.896 1.896 . 0 0 "[ ]" 1
901 1 46 LEU HA 1 46 LEU MD2 . . 3.930 1.951 1.951 1.951 . 0 0 "[ ]" 1
902 1 46 LEU HA 1 48 LEU H . . 4.960 4.170 4.170 4.170 . 0 0 "[ ]" 1
903 1 46 LEU HA 1 49 GLN H . . 3.590 3.505 3.505 3.505 . 0 0 "[ ]" 1
904 1 46 LEU HA 1 49 GLN QB . . 4.100 2.834 2.834 2.834 . 0 0 "[ ]" 1
905 1 46 LEU HA 1 49 GLN QG . . 6.010 4.920 4.920 4.920 . 0 0 "[ ]" 1
906 1 46 LEU QB 1 47 GLU H . . 3.520 2.894 2.894 2.894 . 0 0 "[ ]" 1
907 1 46 LEU QB 1 47 GLU QG . . 7.750 5.011 5.011 5.011 . 0 0 "[ ]" 1
908 1 46 LEU HB2 1 46 LEU HG . . 2.900 2.421 2.421 2.421 . 0 0 "[ ]" 1
909 1 46 LEU HB2 1 47 GLU H . . 3.770 3.642 3.642 3.642 . 0 0 "[ ]" 1
910 1 46 LEU HB3 1 46 LEU HG . . 2.900 2.441 2.441 2.441 . 0 0 "[ ]" 1
911 1 46 LEU HB3 1 47 GLU H . . 3.770 3.038 3.038 3.038 . 0 0 "[ ]" 1
912 1 46 LEU QD 1 47 GLU H . . 8.170 3.859 3.859 3.859 . 0 0 "[ ]" 1
913 1 46 LEU QD 1 49 GLN H . . 8.600 4.105 4.105 4.105 . 0 0 "[ ]" 1
914 1 46 LEU QD 1 49 GLN QB . . 7.490 3.184 3.184 3.184 . 0 0 "[ ]" 1
915 1 46 LEU QD 1 49 GLN QE . . 8.550 5.030 5.030 5.030 . 0 0 "[ ]" 1
916 1 46 LEU MD1 1 49 GLN QB . . 7.900 3.742 3.742 3.742 . 0 0 "[ ]" 1
917 1 46 LEU MD1 1 49 GLN HE21 . . 10.170 7.206 7.206 7.206 . 0 0 "[ ]" 1
918 1 46 LEU MD1 1 49 GLN HE22 . . 10.170 6.961 6.961 6.961 . 0 0 "[ ]" 1
919 1 46 LEU MD2 1 49 GLN QB . . 7.900 3.447 3.447 3.447 . 0 0 "[ ]" 1
920 1 46 LEU MD2 1 49 GLN HE21 . . 10.170 6.297 6.297 6.297 . 0 0 "[ ]" 1
921 1 46 LEU MD2 1 49 GLN HE22 . . 10.170 5.680 5.680 5.680 . 0 0 "[ ]" 1
922 1 46 LEU HG 1 47 GLU H . . 6.000 5.361 5.361 5.361 . 0 0 "[ ]" 1
923 1 47 GLU H 1 47 GLU HB2 . . 3.260 2.115 2.115 2.115 . 0 0 "[ ]" 1
924 1 47 GLU H 1 47 GLU HB3 . . 3.260 3.154 3.154 3.154 . 0 0 "[ ]" 1
925 1 47 GLU H 1 48 LEU H . . 3.620 2.324 2.324 2.324 . 0 0 "[ ]" 1
926 1 47 GLU H 1 49 GLN H . . 4.420 3.707 3.707 3.707 . 0 0 "[ ]" 1
927 1 47 GLU HA 1 47 GLU HB2 . . 2.980 2.856 2.856 2.856 . 0 0 "[ ]" 1
928 1 47 GLU HA 1 47 GLU HB3 . . 2.980 2.902 2.902 2.902 . 0 0 "[ ]" 1
929 1 47 GLU HA 1 50 SER QB . . 3.890 2.677 2.677 2.677 . 0 0 "[ ]" 1
930 1 47 GLU HA 1 51 GLN H . . 3.840 3.769 3.769 3.769 . 0 0 "[ ]" 1
931 1 47 GLU QB 1 48 LEU H . . 3.670 3.074 3.074 3.074 . 0 0 "[ ]" 1
932 1 47 GLU HB2 1 48 LEU H . . 4.160 3.530 3.530 3.530 . 0 0 "[ ]" 1
933 1 47 GLU HB3 1 48 LEU H . . 4.160 3.382 3.382 3.382 . 0 0 "[ ]" 1
934 1 47 GLU QG 1 50 SER QB . . 7.750 3.885 3.885 3.885 . 0 0 "[ ]" 1
935 1 47 GLU QG 1 51 GLN QE . . 7.740 4.153 4.153 4.153 . 0 0 "[ ]" 1
936 1 48 LEU H 1 48 LEU HB2 . . 3.730 2.153 2.153 2.153 . 0 0 "[ ]" 1
937 1 48 LEU H 1 48 LEU QB . . 3.460 2.132 2.132 2.132 . 0 0 "[ ]" 1
938 1 48 LEU H 1 48 LEU HB3 . . 3.730 3.436 3.436 3.436 . 0 0 "[ ]" 1
939 1 48 LEU H 1 49 GLN H . . 3.520 2.363 2.363 2.363 . 0 0 "[ ]" 1
940 1 48 LEU H 1 49 GLN QB . . 4.430 4.028 4.028 4.028 . 0 0 "[ ]" 1
941 1 48 LEU HA 1 51 GLN H . . 4.020 4.016 4.016 4.016 . 0 0 "[ ]" 1
942 1 48 LEU HA 1 51 GLN QG . . 6.700 5.099 5.099 5.099 . 0 0 "[ ]" 1
943 1 48 LEU HA 1 52 PHE H . . 3.770 3.288 3.288 3.288 . 0 0 "[ ]" 1
944 1 48 LEU HA 1 52 PHE HB2 . . 4.310 2.851 2.851 2.851 . 0 0 "[ ]" 1
945 1 48 LEU HA 1 52 PHE QB . . 3.850 2.814 2.814 2.814 . 0 0 "[ ]" 1
946 1 48 LEU HA 1 52 PHE HB3 . . 4.310 4.325 4.325 4.325 0.015 1 0 "[ ]" 1
947 1 48 LEU QB 1 49 GLN H . . 3.660 3.349 3.349 3.349 . 0 0 "[ ]" 1
948 1 48 LEU QB 1 54 VAL HB . . 5.040 2.667 2.667 2.667 . 0 0 "[ ]" 1
949 1 48 LEU HB2 1 49 GLN H . . 4.020 3.572 3.572 3.572 . 0 0 "[ ]" 1
950 1 48 LEU HB2 1 54 VAL H . . 6.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
951 1 48 LEU HB3 1 49 GLN H . . 4.020 4.046 4.046 4.046 0.026 1 0 "[ ]" 1
952 1 48 LEU HB3 1 54 VAL H . . 6.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
953 1 48 LEU QD 1 51 GLN H . . 8.130 4.746 4.746 4.746 . 0 0 "[ ]" 1
954 1 48 LEU QD 1 52 PHE HA . . 8.130 4.745 4.745 4.745 . 0 0 "[ ]" 1
955 1 48 LEU HG 1 49 GLN H . . 5.100 5.117 5.117 5.117 0.017 1 0 "[ ]" 1
956 1 49 GLN H 1 50 SER QB . . 6.300 3.555 3.555 3.555 . 0 0 "[ ]" 1
957 1 49 GLN H 1 54 VAL H . . 4.920 4.117 4.117 4.117 . 0 0 "[ ]" 1
958 1 49 GLN H 1 54 VAL HB . . 6.000 5.199 5.199 5.199 . 0 0 "[ ]" 1
959 1 49 GLN HA 1 50 SER H . . 3.590 3.149 3.149 3.149 . 0 0 "[ ]" 1
960 1 49 GLN HA 1 52 PHE H . . 4.060 4.091 4.091 4.091 0.031 1 0 "[ ]" 1
961 1 49 GLN HA 1 53 GLY H . . 3.840 2.784 2.784 2.784 . 0 0 "[ ]" 1
962 1 49 GLN HA 1 53 GLY HA2 . . 3.620 2.074 2.074 2.074 . 0 0 "[ ]" 1
963 1 49 GLN HA 1 53 GLY HA3 . . 3.620 3.652 3.652 3.652 0.032 1 0 "[ ]" 1
964 1 49 GLN HA 1 54 VAL H . . 3.080 1.953 1.953 1.953 . 0 0 "[ ]" 1
965 1 49 GLN HA 1 54 VAL HB . . 4.780 3.872 3.872 3.872 . 0 0 "[ ]" 1
966 1 49 GLN HA 1 54 VAL MG1 . . 5.980 2.973 2.973 2.973 . 0 0 "[ ]" 1
967 1 49 GLN HA 1 54 VAL QG . . 5.700 2.951 2.951 2.951 . 0 0 "[ ]" 1
968 1 49 GLN HA 1 54 VAL MG2 . . 5.980 4.988 4.988 4.988 . 0 0 "[ ]" 1
969 1 49 GLN QB 1 50 SER H . . 4.070 3.698 3.698 3.698 . 0 0 "[ ]" 1
970 1 49 GLN QB 1 50 SER HA . . 5.290 4.480 4.480 4.480 . 0 0 "[ ]" 1
971 1 49 GLN QB 1 51 GLN H . . 6.340 5.624 5.624 5.624 . 0 0 "[ ]" 1
972 1 49 GLN QB 1 53 GLY H . . 6.260 4.649 4.649 4.649 . 0 0 "[ ]" 1
973 1 49 GLN QB 1 54 VAL H . . 6.880 3.773 3.773 3.773 . 0 0 "[ ]" 1
974 1 49 GLN QB 1 54 VAL QG . . 9.390 2.816 2.816 2.816 . 0 0 "[ ]" 1
975 1 49 GLN QB 1 55 ASP H . . 6.880 5.957 5.957 5.957 . 0 0 "[ ]" 1
976 1 49 GLN QB 1 55 ASP HA . . 6.880 4.808 4.808 4.808 . 0 0 "[ ]" 1
977 1 49 GLN QB 1 56 ALA H . . 6.880 4.964 4.964 4.964 . 0 0 "[ ]" 1
978 1 49 GLN QB 1 56 ALA MB . . 7.900 5.447 5.447 5.447 . 0 0 "[ ]" 1
979 1 49 GLN QE 1 55 ASP HA . . 6.870 2.636 2.636 2.636 . 0 0 "[ ]" 1
980 1 49 GLN QE 1 56 ALA H . . 6.870 4.345 4.345 4.345 . 0 0 "[ ]" 1
981 1 49 GLN QG 1 50 SER H . . 5.830 4.427 4.427 4.427 . 0 0 "[ ]" 1
982 1 49 GLN QG 1 53 GLY HA2 . . 6.880 2.731 2.731 2.731 . 0 0 "[ ]" 1
983 1 49 GLN QG 1 53 GLY HA3 . . 6.880 4.003 4.003 4.003 . 0 0 "[ ]" 1
984 1 49 GLN QG 1 54 VAL H . . 6.880 3.532 3.532 3.532 . 0 0 "[ ]" 1
985 1 49 GLN QG 1 55 ASP HA . . 6.880 3.908 3.908 3.908 . 0 0 "[ ]" 1
986 1 50 SER H 1 51 GLN H . . 3.550 2.190 2.190 2.190 . 0 0 "[ ]" 1
987 1 50 SER QB 1 51 GLN QE . . 7.740 5.097 5.097 5.097 . 0 0 "[ ]" 1
988 1 50 SER QB 1 51 GLN HG2 . . 6.880 2.466 2.466 2.466 . 0 0 "[ ]" 1
989 1 50 SER QB 1 51 GLN HG3 . . 6.880 3.818 3.818 3.818 . 0 0 "[ ]" 1
990 1 51 GLN H 1 51 GLN HB2 . . 3.590 2.493 2.493 2.493 . 0 0 "[ ]" 1
991 1 51 GLN H 1 51 GLN QB . . 3.320 2.449 2.449 2.449 . 0 0 "[ ]" 1
992 1 51 GLN H 1 51 GLN HB3 . . 3.590 3.584 3.584 3.584 . 0 0 "[ ]" 1
993 1 51 GLN H 1 51 GLN HG2 . . 4.560 2.291 2.291 2.291 . 0 0 "[ ]" 1
994 1 51 GLN H 1 51 GLN QG . . 4.420 2.241 2.241 2.241 . 0 0 "[ ]" 1
995 1 51 GLN H 1 51 GLN HG3 . . 4.560 3.169 3.169 3.169 . 0 0 "[ ]" 1
996 1 51 GLN H 1 52 PHE H . . 3.590 2.373 2.373 2.373 . 0 0 "[ ]" 1
997 1 51 GLN H 1 52 PHE QD . . 8.120 2.769 2.769 2.769 . 0 0 "[ ]" 1
998 1 51 GLN H 1 53 GLY H . . 4.850 3.473 3.473 3.473 . 0 0 "[ ]" 1
999 1 51 GLN HA 1 51 GLN HB2 . . 3.050 3.051 3.051 3.051 0.001 1 0 "[ ]" 1
1000 1 51 GLN HA 1 51 GLN HB3 . . 3.050 2.483 2.483 2.483 . 0 0 "[ ]" 1
1001 1 51 GLN HA 1 51 GLN HG2 . . 3.910 2.669 2.669 2.669 . 0 0 "[ ]" 1
1002 1 51 GLN HA 1 51 GLN QG . . 3.650 2.617 2.617 2.617 . 0 0 "[ ]" 1
1003 1 51 GLN HA 1 51 GLN HG3 . . 3.910 3.781 3.781 3.781 . 0 0 "[ ]" 1
1004 1 51 GLN QB 1 52 PHE H . . 3.870 2.987 2.987 2.987 . 0 0 "[ ]" 1
1005 1 51 GLN HB2 1 52 PHE H . . 4.020 3.070 3.070 3.070 . 0 0 "[ ]" 1
1006 1 51 GLN HB2 1 52 PHE QE . . 8.120 2.250 2.250 2.250 . 0 0 "[ ]" 1
1007 1 51 GLN HB3 1 52 PHE H . . 4.020 4.088 4.088 4.088 0.068 1 0 "[ ]" 1
1008 1 51 GLN HB3 1 52 PHE QE . . 8.120 3.645 3.645 3.645 . 0 0 "[ ]" 1
1009 1 51 GLN HG2 1 52 PHE H . . 6.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
1010 1 51 GLN HG3 1 52 PHE H . . 6.000 4.908 4.908 4.908 . 0 0 "[ ]" 1
1011 1 52 PHE H 1 52 PHE HB2 . . 3.620 2.620 2.620 2.620 . 0 0 "[ ]" 1
1012 1 52 PHE H 1 52 PHE QB . . 3.390 2.567 2.567 2.567 . 0 0 "[ ]" 1
1013 1 52 PHE H 1 52 PHE HB3 . . 3.620 3.670 3.670 3.670 0.050 1 0 "[ ]" 1
1014 1 52 PHE H 1 53 GLY H . . 3.260 1.862 1.862 1.862 . 0 0 "[ ]" 1
1015 1 52 PHE H 1 54 VAL H . . 4.450 3.899 3.899 3.899 . 0 0 "[ ]" 1
1016 1 52 PHE H 1 76 VAL QG . . 7.800 4.924 4.924 4.924 . 0 0 "[ ]" 1
1017 1 52 PHE HA 1 76 VAL QG . . 8.440 4.319 4.319 4.319 . 0 0 "[ ]" 1
1018 1 52 PHE HA 1 80 GLN HE21 . . 6.000 4.308 4.308 4.308 . 0 0 "[ ]" 1
1019 1 52 PHE HA 1 80 GLN QE . . 5.400 2.893 2.893 2.893 . 0 0 "[ ]" 1
1020 1 52 PHE HA 1 80 GLN HE22 . . 6.000 2.940 2.940 2.940 . 0 0 "[ ]" 1
1021 1 52 PHE QB 1 53 GLY H . . 4.180 3.010 3.010 3.010 . 0 0 "[ ]" 1
1022 1 52 PHE QB 1 54 VAL H . . 4.040 2.746 2.746 2.746 . 0 0 "[ ]" 1
1023 1 52 PHE QB 1 54 VAL QG . . 7.200 3.324 3.324 3.324 . 0 0 "[ ]" 1
1024 1 52 PHE QB 1 76 VAL QG . . 5.990 2.408 2.408 2.408 . 0 0 "[ ]" 1
1025 1 52 PHE QB 1 79 ALA MB . . 7.900 4.064 4.064 4.064 . 0 0 "[ ]" 1
1026 1 52 PHE QB 1 80 GLN QE . . 5.500 2.250 2.250 2.250 . 0 0 "[ ]" 1
1027 1 52 PHE HB2 1 53 GLY H . . 4.340 3.083 3.083 3.083 . 0 0 "[ ]" 1
1028 1 52 PHE HB2 1 54 VAL H . . 4.270 2.793 2.793 2.793 . 0 0 "[ ]" 1
1029 1 52 PHE HB2 1 76 VAL MG1 . . 8.200 3.267 3.267 3.267 . 0 0 "[ ]" 1
1030 1 52 PHE HB2 1 76 VAL MG2 . . 8.200 4.586 4.586 4.586 . 0 0 "[ ]" 1
1031 1 52 PHE HB2 1 80 GLN HE21 . . 6.330 4.264 4.264 4.264 . 0 0 "[ ]" 1
1032 1 52 PHE HB2 1 80 GLN HE22 . . 6.330 3.446 3.446 3.446 . 0 0 "[ ]" 1
1033 1 52 PHE HB3 1 53 GLY H . . 4.340 4.207 4.207 4.207 . 0 0 "[ ]" 1
1034 1 52 PHE HB3 1 54 VAL H . . 4.270 4.053 4.053 4.053 . 0 0 "[ ]" 1
1035 1 52 PHE HB3 1 76 VAL MG1 . . 8.200 2.502 2.502 2.502 . 0 0 "[ ]" 1
1036 1 52 PHE HB3 1 76 VAL MG2 . . 8.200 4.522 4.522 4.522 . 0 0 "[ ]" 1
1037 1 52 PHE HB3 1 80 GLN HE21 . . 6.330 2.946 2.946 2.946 . 0 0 "[ ]" 1
1038 1 52 PHE HB3 1 80 GLN HE22 . . 6.330 2.387 2.387 2.387 . 0 0 "[ ]" 1
1039 1 52 PHE QE 1 80 GLN HG2 . . 8.120 6.471 6.471 6.471 . 0 0 "[ ]" 1
1040 1 52 PHE QE 1 80 GLN HG3 . . 8.120 6.368 6.368 6.368 . 0 0 "[ ]" 1
1041 1 52 PHE HZ 1 76 VAL QG . . 8.590 4.133 4.133 4.133 . 0 0 "[ ]" 1
1042 1 53 GLY H 1 54 VAL H . . 3.620 2.860 2.860 2.860 . 0 0 "[ ]" 1
1043 1 53 GLY H 1 54 VAL HB . . 4.880 4.605 4.605 4.605 . 0 0 "[ ]" 1
1044 1 54 VAL H 1 54 VAL HB . . 3.160 2.151 2.151 2.151 . 0 0 "[ ]" 1
1045 1 54 VAL H 1 55 ASP H . . 4.700 4.636 4.636 4.636 . 0 0 "[ ]" 1
1046 1 54 VAL H 1 79 ALA MB . . 7.030 4.588 4.588 4.588 . 0 0 "[ ]" 1
1047 1 54 VAL HA 1 55 ASP H . . 2.440 2.474 2.474 2.474 0.034 1 0 "[ ]" 1
1048 1 54 VAL HA 1 55 ASP QB . . 5.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
1049 1 54 VAL HA 1 79 ALA MB . . 4.830 2.508 2.508 2.508 . 0 0 "[ ]" 1
1050 1 54 VAL HB 1 55 ASP H . . 3.980 4.066 4.066 4.066 0.086 1 0 "[ ]" 1
1051 1 54 VAL QG 1 55 ASP H . . 5.380 2.033 2.033 2.033 . 0 0 "[ ]" 1
1052 1 54 VAL QG 1 56 ALA H . . 6.420 1.916 1.916 1.916 . 0 0 "[ ]" 1
1053 1 54 VAL QG 1 56 ALA HA . . 7.690 3.784 3.784 3.784 . 0 0 "[ ]" 1
1054 1 54 VAL QG 1 57 PRO QD . . 9.460 4.644 4.644 4.644 . 0 0 "[ ]" 1
1055 1 54 VAL QG 1 66 TRP HH2 . . 5.070 2.742 2.742 2.742 . 0 0 "[ ]" 1
1056 1 54 VAL QG 1 79 ALA H . . 7.980 4.241 4.241 4.241 . 0 0 "[ ]" 1
1057 1 54 VAL MG1 1 55 ASP H . . 6.130 2.814 2.814 2.814 . 0 0 "[ ]" 1
1058 1 54 VAL MG1 1 56 ALA H . . 7.030 1.929 1.929 1.929 . 0 0 "[ ]" 1
1059 1 54 VAL MG1 1 66 TRP HH2 . . 5.590 3.386 3.386 3.386 . 0 0 "[ ]" 1
1060 1 54 VAL MG1 1 66 TRP HZ3 . . 6.020 4.195 4.195 4.195 . 0 0 "[ ]" 1
1061 1 54 VAL MG2 1 55 ASP H . . 6.130 2.086 2.086 2.086 . 0 0 "[ ]" 1
1062 1 54 VAL MG2 1 56 ALA H . . 7.030 3.296 3.296 3.296 . 0 0 "[ ]" 1
1063 1 54 VAL MG2 1 66 TRP HH2 . . 5.590 2.898 2.898 2.898 . 0 0 "[ ]" 1
1064 1 54 VAL MG2 1 66 TRP HZ3 . . 6.020 4.376 4.376 4.376 . 0 0 "[ ]" 1
1065 1 55 ASP H 1 55 ASP HB2 . . 3.370 2.531 2.531 2.531 . 0 0 "[ ]" 1
1066 1 55 ASP H 1 55 ASP HB3 . . 3.370 3.411 3.411 3.411 0.041 1 0 "[ ]" 1
1067 1 55 ASP H 1 56 ALA H . . 4.700 3.005 3.005 3.005 . 0 0 "[ ]" 1
1068 1 55 ASP H 1 79 ALA MB . . 7.030 3.085 3.085 3.085 . 0 0 "[ ]" 1
1069 1 55 ASP HA 1 56 ALA H . . 2.940 2.662 2.662 2.662 . 0 0 "[ ]" 1
1070 1 55 ASP QB 1 57 PRO QD . . 7.750 5.184 5.184 5.184 . 0 0 "[ ]" 1
1071 1 55 ASP HB2 1 56 ALA H . . 4.420 4.567 4.567 4.567 0.147 1 0 "[ ]" 1
1072 1 55 ASP HB3 1 56 ALA H . . 4.420 4.331 4.331 4.331 . 0 0 "[ ]" 1
1073 1 56 ALA H 1 57 PRO HD2 . . 6.000 4.978 4.978 4.978 . 0 0 "[ ]" 1
1074 1 56 ALA H 1 57 PRO QD . . 5.670 4.340 4.340 4.340 . 0 0 "[ ]" 1
1075 1 56 ALA H 1 57 PRO HD3 . . 6.000 4.779 4.779 4.779 . 0 0 "[ ]" 1
1076 1 56 ALA HA 1 57 PRO QB . . 5.150 4.644 4.644 4.644 . 0 0 "[ ]" 1
1077 1 56 ALA HA 1 57 PRO HD2 . . 2.900 2.709 2.709 2.709 . 0 0 "[ ]" 1
1078 1 56 ALA HA 1 57 PRO HD3 . . 2.900 1.995 1.995 1.995 . 0 0 "[ ]" 1
1079 1 56 ALA HA 1 57 PRO QG . . 5.710 3.939 3.939 3.939 . 0 0 "[ ]" 1
1080 1 56 ALA HA 1 66 TRP HH2 . . 6.000 4.684 4.684 4.684 . 0 0 "[ ]" 1
1081 1 56 ALA HA 1 66 TRP HZ2 . . 6.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
1082 1 56 ALA MB 1 66 TRP HH2 . . 5.800 2.252 2.252 2.252 . 0 0 "[ ]" 1
1083 1 56 ALA MB 1 66 TRP HZ2 . . 5.260 1.848 1.848 1.848 . 0 0 "[ ]" 1
1084 1 57 PRO HA 1 58 VAL H . . 2.620 2.428 2.428 2.428 . 0 0 "[ ]" 1
1085 1 57 PRO HA 1 59 SER H . . 4.270 4.193 4.193 4.193 . 0 0 "[ ]" 1
1086 1 57 PRO QB 1 59 SER H . . 4.430 3.833 3.833 3.833 . 0 0 "[ ]" 1
1087 1 57 PRO HB2 1 58 VAL H . . 4.160 2.730 2.730 2.730 . 0 0 "[ ]" 1
1088 1 57 PRO HB2 1 59 SER H . . 4.780 4.033 4.033 4.033 . 0 0 "[ ]" 1
1089 1 57 PRO HB3 1 58 VAL H . . 4.160 3.407 3.407 3.407 . 0 0 "[ ]" 1
1090 1 57 PRO HB3 1 59 SER H . . 4.780 4.790 4.790 4.790 0.010 1 0 "[ ]" 1
1091 1 57 PRO QD 1 66 TRP HZ2 . . 5.850 2.793 2.793 2.793 . 0 0 "[ ]" 1
1092 1 57 PRO HD2 1 66 TRP HZ2 . . 6.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
1093 1 57 PRO HD3 1 66 TRP HZ2 . . 6.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
1094 1 58 VAL H 1 58 VAL HB . . 3.370 2.856 2.856 2.856 . 0 0 "[ ]" 1
1095 1 58 VAL H 1 59 SER H . . 3.440 1.868 1.868 1.868 . 0 0 "[ ]" 1
1096 1 58 VAL HA 1 59 SER H . . 3.550 3.614 3.614 3.614 0.064 1 0 "[ ]" 1
1097 1 58 VAL HA 1 61 PHE H . . 3.800 3.250 3.250 3.250 . 0 0 "[ ]" 1
1098 1 58 VAL HA 1 61 PHE QB . . 4.540 3.067 3.067 3.067 . 0 0 "[ ]" 1
1099 1 58 VAL HA 1 61 PHE QD . . 8.120 1.922 1.922 1.922 . 0 0 "[ ]" 1
1100 1 58 VAL HB 1 59 SER H . . 3.700 2.585 2.585 2.585 . 0 0 "[ ]" 1
1101 1 58 VAL QG 1 59 SER H . . 7.580 3.256 3.256 3.256 . 0 0 "[ ]" 1
1102 1 58 VAL QG 1 59 SER HA . . 7.010 3.877 3.877 3.877 . 0 0 "[ ]" 1
1103 1 58 VAL QG 1 61 PHE H . . 8.120 4.305 4.305 4.305 . 0 0 "[ ]" 1
1104 1 58 VAL QG 1 61 PHE QB . . 9.000 3.874 3.874 3.874 . 0 0 "[ ]" 1
1105 1 58 VAL QG 1 66 TRP HE1 . . 8.120 5.984 5.984 5.984 . 0 0 "[ ]" 1
1106 1 59 SER H 1 59 SER HB2 . . 3.620 3.549 3.549 3.549 . 0 0 "[ ]" 1
1107 1 59 SER H 1 59 SER QB . . 3.200 2.721 2.721 2.721 . 0 0 "[ ]" 1
1108 1 59 SER H 1 59 SER HB3 . . 3.620 2.826 2.826 2.826 . 0 0 "[ ]" 1
1109 1 59 SER H 1 60 GLU H . . 3.620 2.982 2.982 2.982 . 0 0 "[ ]" 1
1110 1 59 SER HA 1 59 SER HB2 . . 2.720 2.701 2.701 2.701 . 0 0 "[ ]" 1
1111 1 59 SER HA 1 59 SER QB . . 2.500 2.177 2.177 2.177 . 0 0 "[ ]" 1
1112 1 59 SER HA 1 59 SER HB3 . . 2.720 2.296 2.296 2.296 . 0 0 "[ ]" 1
1113 1 59 SER QB 1 60 GLU H . . 4.170 3.373 3.373 3.373 . 0 0 "[ ]" 1
1114 1 59 SER HB2 1 60 GLU H . . 4.490 3.539 3.539 3.539 . 0 0 "[ ]" 1
1115 1 59 SER HB3 1 60 GLU H . . 4.490 4.251 4.251 4.251 . 0 0 "[ ]" 1
1116 1 60 GLU H 1 60 GLU HA . . 2.870 2.735 2.735 2.735 . 0 0 "[ ]" 1
1117 1 60 GLU H 1 60 GLU HB2 . . 3.590 3.239 3.239 3.239 . 0 0 "[ ]" 1
1118 1 60 GLU H 1 60 GLU HB3 . . 3.590 3.589 3.589 3.589 . 0 0 "[ ]" 1
1119 1 60 GLU HA 1 61 PHE H . . 3.620 2.509 2.509 2.509 . 0 0 "[ ]" 1
1120 1 60 GLU HA 1 63 ARG QG . . 6.590 5.649 5.649 5.649 . 0 0 "[ ]" 1
1121 1 60 GLU QB 1 61 PHE H . . 4.440 4.049 4.049 4.049 . 0 0 "[ ]" 1
1122 1 60 GLU HB2 1 61 PHE H . . 4.700 4.720 4.720 4.720 0.020 1 0 "[ ]" 1
1123 1 60 GLU HB3 1 61 PHE H . . 4.700 4.407 4.407 4.407 . 0 0 "[ ]" 1
1124 1 60 GLU QG 1 63 ARG QG . . 7.750 4.771 4.771 4.771 . 0 0 "[ ]" 1
1125 1 61 PHE H 1 62 ASP H . . 4.630 4.583 4.583 4.583 . 0 0 "[ ]" 1
1126 1 61 PHE H 1 66 TRP HD1 . . 6.000 5.224 5.224 5.224 . 0 0 "[ ]" 1
1127 1 61 PHE H 1 66 TRP HE1 . . 6.000 5.387 5.387 5.387 . 0 0 "[ ]" 1
1128 1 61 PHE HA 1 62 ASP H . . 3.080 2.634 2.634 2.634 . 0 0 "[ ]" 1
1129 1 61 PHE HA 1 66 TRP HE1 . . 5.030 3.924 3.924 3.924 . 0 0 "[ ]" 1
1130 1 61 PHE QB 1 66 TRP HE1 . . 6.880 1.923 1.923 1.923 . 0 0 "[ ]" 1
1131 1 61 PHE QB 1 66 TRP HH2 . . 6.730 6.020 6.020 6.020 . 0 0 "[ ]" 1
1132 1 61 PHE QD 1 62 ASP H . . 8.120 3.005 3.005 3.005 . 0 0 "[ ]" 1
1133 1 61 PHE QD 1 63 ARG HA . . 7.150 2.514 2.514 2.514 . 0 0 "[ ]" 1
1134 1 61 PHE QD 1 66 TRP HD1 . . 7.730 2.032 2.032 2.032 . 0 0 "[ ]" 1
1135 1 61 PHE QD 1 66 TRP HE1 . . 8.120 3.752 3.752 3.752 . 0 0 "[ ]" 1
1136 1 61 PHE QE 1 63 ARG HA . . 7.150 1.961 1.961 1.961 . 0 0 "[ ]" 1
1137 1 61 PHE QE 1 63 ARG QB . . 9.000 1.971 1.971 1.971 . 0 0 "[ ]" 1
1138 1 61 PHE QE 1 66 TRP HB2 . . 8.120 3.056 3.056 3.056 . 0 0 "[ ]" 1
1139 1 61 PHE QE 1 66 TRP HB3 . . 8.120 4.415 4.415 4.415 . 0 0 "[ ]" 1
1140 1 61 PHE QE 1 66 TRP HD1 . . 8.120 3.560 3.560 3.560 . 0 0 "[ ]" 1
1141 1 61 PHE QE 1 66 TRP HE1 . . 8.120 5.578 5.578 5.578 . 0 0 "[ ]" 1
1142 1 61 PHE HZ 1 63 ARG HA . . 5.820 4.273 4.273 4.273 . 0 0 "[ ]" 1
1143 1 61 PHE HZ 1 66 TRP HB2 . . 5.860 4.234 4.234 4.234 . 0 0 "[ ]" 1
1144 1 61 PHE HZ 1 66 TRP QB . . 5.680 4.022 4.022 4.022 . 0 0 "[ ]" 1
1145 1 61 PHE HZ 1 66 TRP HB3 . . 5.860 5.021 5.021 5.021 . 0 0 "[ ]" 1
1146 1 62 ASP H 1 62 ASP HB2 . . 3.340 2.150 2.150 2.150 . 0 0 "[ ]" 1
1147 1 62 ASP H 1 62 ASP HB3 . . 3.340 3.429 3.429 3.429 0.089 1 0 "[ ]" 1
1148 1 62 ASP H 1 63 ARG H . . 4.780 3.982 3.982 3.982 . 0 0 "[ ]" 1
1149 1 62 ASP H 1 65 GLU QB . . 6.050 3.944 3.944 3.944 . 0 0 "[ ]" 1
1150 1 62 ASP H 1 65 GLU QG . . 6.880 5.541 5.541 5.541 . 0 0 "[ ]" 1
1151 1 62 ASP H 1 66 TRP HD1 . . 5.640 2.943 2.943 2.943 . 0 0 "[ ]" 1
1152 1 62 ASP H 1 66 TRP HE1 . . 5.640 2.500 2.500 2.500 . 0 0 "[ ]" 1
1153 1 62 ASP HA 1 63 ARG H . . 2.650 2.402 2.402 2.402 . 0 0 "[ ]" 1
1154 1 62 ASP HA 1 63 ARG QB . . 5.580 4.863 4.863 4.863 . 0 0 "[ ]" 1
1155 1 62 ASP HA 1 63 ARG QG . . 6.880 3.312 3.312 3.312 . 0 0 "[ ]" 1
1156 1 62 ASP HA 1 64 LYS H . . 4.600 3.331 3.331 3.331 . 0 0 "[ ]" 1
1157 1 62 ASP QB 1 64 LYS H . . 4.970 3.064 3.064 3.064 . 0 0 "[ ]" 1
1158 1 62 ASP QB 1 65 GLU H . . 5.690 2.384 2.384 2.384 . 0 0 "[ ]" 1
1159 1 62 ASP QB 1 65 GLU QG . . 5.840 4.295 4.295 4.295 . 0 0 "[ ]" 1
1160 1 62 ASP HB2 1 64 LYS H . . 5.280 4.530 4.530 4.530 . 0 0 "[ ]" 1
1161 1 62 ASP HB2 1 65 GLU HG2 . . 7.030 5.001 5.001 5.001 . 0 0 "[ ]" 1
1162 1 62 ASP HB2 1 65 GLU HG3 . . 7.030 5.736 5.736 5.736 . 0 0 "[ ]" 1
1163 1 62 ASP HB3 1 64 LYS H . . 5.280 3.116 3.116 3.116 . 0 0 "[ ]" 1
1164 1 62 ASP HB3 1 65 GLU HG2 . . 7.030 5.425 5.425 5.425 . 0 0 "[ ]" 1
1165 1 62 ASP HB3 1 65 GLU HG3 . . 7.030 5.740 5.740 5.740 . 0 0 "[ ]" 1
1166 1 63 ARG H 1 63 ARG HG2 . . 5.350 1.974 1.974 1.974 . 0 0 "[ ]" 1
1167 1 63 ARG H 1 63 ARG QG . . 5.100 1.800 1.800 1.800 . 0 0 "[ ]" 1
1168 1 63 ARG H 1 63 ARG HG3 . . 5.350 2.076 2.076 2.076 . 0 0 "[ ]" 1
1169 1 63 ARG H 1 64 LYS H . . 3.840 2.882 2.882 2.882 . 0 0 "[ ]" 1
1170 1 63 ARG HA 1 63 ARG HG2 . . 4.270 3.608 3.608 3.608 . 0 0 "[ ]" 1
1171 1 63 ARG HA 1 63 ARG HG3 . . 4.270 3.585 3.585 3.585 . 0 0 "[ ]" 1
1172 1 63 ARG HA 1 65 GLU H . . 3.880 3.951 3.951 3.951 0.071 1 0 "[ ]" 1
1173 1 63 ARG HA 1 66 TRP H . . 3.730 2.815 2.815 2.815 . 0 0 "[ ]" 1
1174 1 63 ARG HA 1 66 TRP HB2 . . 4.340 2.436 2.436 2.436 . 0 0 "[ ]" 1
1175 1 63 ARG HA 1 66 TRP QB . . 3.760 2.420 2.420 2.420 . 0 0 "[ ]" 1
1176 1 63 ARG HA 1 66 TRP HB3 . . 4.340 4.187 4.187 4.187 . 0 0 "[ ]" 1
1177 1 63 ARG HA 1 66 TRP HD1 . . 4.060 2.786 2.786 2.786 . 0 0 "[ ]" 1
1178 1 63 ARG HA 1 66 TRP HE1 . . 6.000 5.405 5.405 5.405 . 0 0 "[ ]" 1
1179 1 63 ARG QB 1 64 LYS HA . . 5.150 3.990 3.990 3.990 . 0 0 "[ ]" 1
1180 1 63 ARG QD 1 67 ASP QB . . 7.460 5.176 5.176 5.176 . 0 0 "[ ]" 1
1181 1 63 ARG HE 1 67 ASP HB2 . . 5.820 4.043 4.043 4.043 . 0 0 "[ ]" 1
1182 1 63 ARG HE 1 67 ASP QB . . 5.330 3.927 3.927 3.927 . 0 0 "[ ]" 1
1183 1 63 ARG HE 1 67 ASP HB3 . . 5.820 5.331 5.331 5.331 . 0 0 "[ ]" 1
1184 1 63 ARG QG 1 64 LYS H . . 6.880 2.368 2.368 2.368 . 0 0 "[ ]" 1
1185 1 64 LYS H 1 64 LYS HA . . 2.720 2.785 2.785 2.785 0.065 1 0 "[ ]" 1
1186 1 64 LYS H 1 65 GLU H . . 3.550 2.660 2.660 2.660 . 0 0 "[ ]" 1
1187 1 64 LYS H 1 65 GLU QG . . 6.880 6.235 6.235 6.235 . 0 0 "[ ]" 1
1188 1 64 LYS H 1 66 TRP H . . 4.810 3.817 3.817 3.817 . 0 0 "[ ]" 1
1189 1 64 LYS H 1 67 ASP H . . 5.060 5.067 5.067 5.067 0.007 1 0 "[ ]" 1
1190 1 64 LYS H 1 67 ASP HB2 . . 4.880 4.796 4.796 4.796 . 0 0 "[ ]" 1
1191 1 64 LYS H 1 67 ASP QB . . 4.590 4.284 4.284 4.284 . 0 0 "[ ]" 1
1192 1 64 LYS H 1 67 ASP HB3 . . 4.880 4.823 4.823 4.823 . 0 0 "[ ]" 1
1193 1 64 LYS HA 1 65 GLU H . . 3.520 3.572 3.572 3.572 0.052 1 0 "[ ]" 1
1194 1 64 LYS HA 1 66 TRP H . . 4.160 4.243 4.243 4.243 0.083 1 0 "[ ]" 1
1195 1 64 LYS HA 1 67 ASP H . . 3.910 3.851 3.851 3.851 . 0 0 "[ ]" 1
1196 1 64 LYS HA 1 67 ASP HB2 . . 4.020 2.972 2.972 2.972 . 0 0 "[ ]" 1
1197 1 64 LYS HA 1 67 ASP QB . . 3.670 2.433 2.433 2.433 . 0 0 "[ ]" 1
1198 1 64 LYS HA 1 67 ASP HB3 . . 4.020 2.583 2.583 2.583 . 0 0 "[ ]" 1
1199 1 64 LYS QB 1 65 GLU H . . 5.900 3.023 3.023 3.023 . 0 0 "[ ]" 1
1200 1 64 LYS QE 1 67 ASP QB . . 5.840 4.419 4.419 4.419 . 0 0 "[ ]" 1
1201 1 64 LYS QG 1 65 GLU H . . 6.880 3.259 3.259 3.259 . 0 0 "[ ]" 1
1202 1 64 LYS QG 1 65 GLU HG2 . . 6.880 6.005 6.005 6.005 . 0 0 "[ ]" 1
1203 1 64 LYS QG 1 65 GLU HG3 . . 6.880 5.271 5.271 5.271 . 0 0 "[ ]" 1
1204 1 65 GLU H 1 65 GLU HB2 . . 3.800 2.789 2.789 2.789 . 0 0 "[ ]" 1
1205 1 65 GLU H 1 65 GLU QB . . 3.560 2.229 2.229 2.229 . 0 0 "[ ]" 1
1206 1 65 GLU H 1 65 GLU HB3 . . 3.800 2.344 2.344 2.344 . 0 0 "[ ]" 1
1207 1 65 GLU H 1 65 GLU HG2 . . 4.490 4.313 4.313 4.313 . 0 0 "[ ]" 1
1208 1 65 GLU H 1 65 GLU QG . . 4.240 3.901 3.901 3.901 . 0 0 "[ ]" 1
1209 1 65 GLU H 1 65 GLU HG3 . . 4.490 4.454 4.454 4.454 . 0 0 "[ ]" 1
1210 1 65 GLU H 1 66 TRP H . . 3.620 2.287 2.287 2.287 . 0 0 "[ ]" 1
1211 1 65 GLU HA 1 65 GLU HG2 . . 4.090 3.457 3.457 3.457 . 0 0 "[ ]" 1
1212 1 65 GLU HA 1 65 GLU QG . . 3.630 2.454 2.454 2.454 . 0 0 "[ ]" 1
1213 1 65 GLU HA 1 65 GLU HG3 . . 4.090 2.510 2.510 2.510 . 0 0 "[ ]" 1
1214 1 65 GLU HA 1 71 LYS QD . . 5.110 2.156 2.156 2.156 . 0 0 "[ ]" 1
1215 1 65 GLU QB 1 66 TRP HD1 . . 4.370 3.498 3.498 3.498 . 0 0 "[ ]" 1
1216 1 65 GLU QB 1 66 TRP HE1 . . 6.880 3.669 3.669 3.669 . 0 0 "[ ]" 1
1217 1 65 GLU QB 1 75 LYS QE . . 5.740 4.140 4.140 4.140 . 0 0 "[ ]" 1
1218 1 65 GLU HB2 1 66 TRP HD1 . . 5.140 5.232 5.232 5.232 0.092 1 0 "[ ]" 1
1219 1 65 GLU HB3 1 66 TRP HD1 . . 5.140 3.553 3.553 3.553 . 0 0 "[ ]" 1
1220 1 65 GLU QG 1 66 TRP H . . 6.880 3.834 3.834 3.834 . 0 0 "[ ]" 1
1221 1 65 GLU QG 1 66 TRP HD1 . . 5.740 4.564 4.564 4.564 . 0 0 "[ ]" 1
1222 1 65 GLU QG 1 66 TRP HE3 . . 6.880 4.387 4.387 4.387 . 0 0 "[ ]" 1
1223 1 65 GLU QG 1 72 ILE H . . 4.680 4.291 4.291 4.291 . 0 0 "[ ]" 1
1224 1 65 GLU QG 1 72 ILE HA . . 4.720 3.129 3.129 3.129 . 0 0 "[ ]" 1
1225 1 65 GLU QG 1 72 ILE QG . . 5.050 3.334 3.334 3.334 . 0 0 "[ ]" 1
1226 1 65 GLU HG2 1 66 TRP HD1 . . 6.000 4.726 4.726 4.726 . 0 0 "[ ]" 1
1227 1 65 GLU HG3 1 66 TRP HD1 . . 6.000 6.026 6.026 6.026 0.026 1 0 "[ ]" 1
1228 1 66 TRP H 1 66 TRP HB2 . . 3.880 2.654 2.654 2.654 . 0 0 "[ ]" 1
1229 1 66 TRP H 1 66 TRP QB . . 3.610 2.598 2.598 2.598 . 0 0 "[ ]" 1
1230 1 66 TRP H 1 66 TRP HB3 . . 3.880 3.697 3.697 3.697 . 0 0 "[ ]" 1
1231 1 66 TRP H 1 66 TRP HD1 . . 6.000 2.880 2.880 2.880 . 0 0 "[ ]" 1
1232 1 66 TRP H 1 67 ASP H . . 3.410 2.585 2.585 2.585 . 0 0 "[ ]" 1
1233 1 66 TRP H 1 67 ASP QB . . 5.510 3.805 3.805 3.805 . 0 0 "[ ]" 1
1234 1 66 TRP HA 1 66 TRP HE3 . . 4.560 2.787 2.787 2.787 . 0 0 "[ ]" 1
1235 1 66 TRP HA 1 67 ASP H . . 3.520 3.052 3.052 3.052 . 0 0 "[ ]" 1
1236 1 66 TRP HA 1 71 LYS HB2 . . 5.780 4.806 4.806 4.806 . 0 0 "[ ]" 1
1237 1 66 TRP HA 1 71 LYS QB . . 5.400 4.107 4.107 4.107 . 0 0 "[ ]" 1
1238 1 66 TRP HA 1 71 LYS HB3 . . 5.780 4.459 4.459 4.459 . 0 0 "[ ]" 1
1239 1 66 TRP HA 1 72 ILE HA . . 4.060 4.060 4.060 4.060 0.000 1 0 "[ ]" 1
1240 1 66 TRP HA 1 72 ILE MD . . 5.660 2.319 2.319 2.319 . 0 0 "[ ]" 1
1241 1 66 TRP HA 1 72 ILE QG . . 6.230 1.874 1.874 1.874 . 0 0 "[ ]" 1
1242 1 66 TRP QB 1 67 ASP H . . 5.330 3.843 3.843 3.843 . 0 0 "[ ]" 1
1243 1 66 TRP QB 1 72 ILE MD . . 6.450 2.728 2.728 2.728 . 0 0 "[ ]" 1
1244 1 66 TRP QB 1 72 ILE QG . . 7.750 3.233 3.233 3.233 . 0 0 "[ ]" 1
1245 1 66 TRP HB2 1 72 ILE MD . . 7.030 4.027 4.027 4.027 . 0 0 "[ ]" 1
1246 1 66 TRP HB3 1 72 ILE MD . . 7.030 2.775 2.775 2.775 . 0 0 "[ ]" 1
1247 1 66 TRP HD1 1 75 LYS QE . . 6.880 5.892 5.892 5.892 . 0 0 "[ ]" 1
1248 1 66 TRP HE1 1 75 LYS HE2 . . 6.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
1249 1 66 TRP HE1 1 75 LYS QE . . 5.420 3.889 3.889 3.889 . 0 0 "[ ]" 1
1250 1 66 TRP HE1 1 75 LYS HE3 . . 6.000 4.261 4.261 4.261 . 0 0 "[ ]" 1
1251 1 66 TRP HE3 1 72 ILE HA . . 4.310 3.832 3.832 3.832 . 0 0 "[ ]" 1
1252 1 66 TRP HE3 1 72 ILE MD . . 5.770 1.972 1.972 1.972 . 0 0 "[ ]" 1
1253 1 66 TRP HE3 1 72 ILE QG . . 5.510 1.956 1.956 1.956 . 0 0 "[ ]" 1
1254 1 66 TRP HE3 1 72 ILE MG . . 5.190 2.788 2.788 2.788 . 0 0 "[ ]" 1
1255 1 66 TRP HH2 1 72 ILE MG . . 7.030 4.312 4.312 4.312 . 0 0 "[ ]" 1
1256 1 66 TRP HH2 1 75 LYS HB2 . . 6.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
1257 1 66 TRP HH2 1 75 LYS QB . . 5.760 3.205 3.205 3.205 . 0 0 "[ ]" 1
1258 1 66 TRP HH2 1 75 LYS HB3 . . 6.000 3.288 3.288 3.288 . 0 0 "[ ]" 1
1259 1 66 TRP HZ2 1 75 LYS HB2 . . 6.000 4.820 4.820 4.820 . 0 0 "[ ]" 1
1260 1 66 TRP HZ2 1 75 LYS HB3 . . 6.000 4.538 4.538 4.538 . 0 0 "[ ]" 1
1261 1 66 TRP HZ2 1 75 LYS QD . . 6.770 4.114 4.114 4.114 . 0 0 "[ ]" 1
1262 1 66 TRP HZ2 1 75 LYS HE2 . . 6.000 3.627 3.627 3.627 . 0 0 "[ ]" 1
1263 1 66 TRP HZ2 1 75 LYS QE . . 5.580 2.349 2.349 2.349 . 0 0 "[ ]" 1
1264 1 66 TRP HZ2 1 75 LYS HE3 . . 6.000 2.379 2.379 2.379 . 0 0 "[ ]" 1
1265 1 66 TRP HZ3 1 72 ILE HA . . 5.640 3.806 3.806 3.806 . 0 0 "[ ]" 1
1266 1 66 TRP HZ3 1 72 ILE MG . . 5.260 2.470 2.470 2.470 . 0 0 "[ ]" 1
1267 1 66 TRP HZ3 1 75 LYS HA . . 6.000 6.065 6.065 6.065 0.065 1 0 "[ ]" 1
1268 1 66 TRP HZ3 1 75 LYS HB2 . . 6.000 4.709 4.709 4.709 . 0 0 "[ ]" 1
1269 1 66 TRP HZ3 1 75 LYS QB . . 5.860 3.178 3.178 3.178 . 0 0 "[ ]" 1
1270 1 66 TRP HZ3 1 75 LYS HB3 . . 6.000 3.231 3.231 3.231 . 0 0 "[ ]" 1
1271 1 66 TRP HZ3 1 75 LYS QD . . 6.880 5.549 5.549 5.549 . 0 0 "[ ]" 1
1272 1 67 ASP H 1 67 ASP HB2 . . 3.800 3.137 3.137 3.137 . 0 0 "[ ]" 1
1273 1 67 ASP H 1 67 ASP QB . . 3.570 2.136 2.136 2.136 . 0 0 "[ ]" 1
1274 1 67 ASP H 1 67 ASP HB3 . . 3.800 2.174 2.174 2.174 . 0 0 "[ ]" 1
1275 1 67 ASP H 1 68 THR H . . 3.950 2.107 2.107 2.107 . 0 0 "[ ]" 1
1276 1 67 ASP H 1 71 LYS QD . . 4.790 3.534 3.534 3.534 . 0 0 "[ ]" 1
1277 1 67 ASP H 1 71 LYS HE2 . . 6.000 6.019 6.019 6.019 0.019 1 0 "[ ]" 1
1278 1 67 ASP H 1 71 LYS HE3 . . 6.000 5.782 5.782 5.782 . 0 0 "[ ]" 1
1279 1 67 ASP HA 1 67 ASP HB2 . . 2.870 2.321 2.321 2.321 . 0 0 "[ ]" 1
1280 1 67 ASP HA 1 67 ASP HB3 . . 2.870 2.993 2.993 2.993 0.123 1 0 "[ ]" 1
1281 1 68 THR H 1 69 PRO HD2 . . 6.000 4.922 4.922 4.922 . 0 0 "[ ]" 1
1282 1 68 THR H 1 69 PRO HD3 . . 6.000 4.796 4.796 4.796 . 0 0 "[ ]" 1
1283 1 68 THR H 1 71 LYS H . . 4.340 4.058 4.058 4.058 . 0 0 "[ ]" 1
1284 1 68 THR H 1 71 LYS HB2 . . 3.620 2.667 2.667 2.667 . 0 0 "[ ]" 1
1285 1 68 THR H 1 71 LYS QB . . 3.390 2.610 2.610 2.610 . 0 0 "[ ]" 1
1286 1 68 THR H 1 71 LYS HB3 . . 3.620 3.709 3.709 3.709 0.089 1 0 "[ ]" 1
1287 1 68 THR H 1 71 LYS HD2 . . 5.320 3.144 3.144 3.144 . 0 0 "[ ]" 1
1288 1 68 THR H 1 71 LYS QD . . 4.980 3.093 3.093 3.093 . 0 0 "[ ]" 1
1289 1 68 THR H 1 71 LYS HD3 . . 5.320 4.594 4.594 4.594 . 0 0 "[ ]" 1
1290 1 68 THR H 1 71 LYS QE . . 6.880 4.661 4.661 4.661 . 0 0 "[ ]" 1
1291 1 68 THR H 1 71 LYS HG2 . . 6.000 5.415 5.415 5.415 . 0 0 "[ ]" 1
1292 1 68 THR H 1 71 LYS HG3 . . 6.000 4.872 4.872 4.872 . 0 0 "[ ]" 1
1293 1 68 THR H 1 72 ILE H . . 4.560 4.333 4.333 4.333 . 0 0 "[ ]" 1
1294 1 68 THR H 1 72 ILE MD . . 6.740 4.160 4.160 4.160 . 0 0 "[ ]" 1
1295 1 68 THR HA 1 68 THR HB . . 2.760 2.685 2.685 2.685 . 0 0 "[ ]" 1
1296 1 68 THR HA 1 69 PRO QB . . 5.400 4.642 4.642 4.642 . 0 0 "[ ]" 1
1297 1 68 THR HA 1 69 PRO HD2 . . 3.260 2.824 2.824 2.824 . 0 0 "[ ]" 1
1298 1 68 THR HA 1 69 PRO QD . . 2.880 2.002 2.002 2.002 . 0 0 "[ ]" 1
1299 1 68 THR HA 1 69 PRO HD3 . . 3.260 2.048 2.048 2.048 . 0 0 "[ ]" 1
1300 1 68 THR HA 1 69 PRO QG . . 5.720 3.984 3.984 3.984 . 0 0 "[ ]" 1
1301 1 68 THR HA 1 70 ASN H . . 4.450 4.277 4.277 4.277 . 0 0 "[ ]" 1
1302 1 68 THR HB 1 69 PRO HD2 . . 4.060 2.089 2.089 2.089 . 0 0 "[ ]" 1
1303 1 68 THR HB 1 69 PRO QD . . 3.690 2.062 2.062 2.062 . 0 0 "[ ]" 1
1304 1 68 THR HB 1 69 PRO HD3 . . 4.060 3.161 3.161 3.161 . 0 0 "[ ]" 1
1305 1 68 THR HB 1 69 PRO QG . . 6.770 4.008 4.008 4.008 . 0 0 "[ ]" 1
1306 1 68 THR HB 1 70 ASN H . . 3.800 2.610 2.610 2.610 . 0 0 "[ ]" 1
1307 1 68 THR HB 1 71 LYS H . . 4.670 2.796 2.796 2.796 . 0 0 "[ ]" 1
1308 1 68 THR HG1 1 70 ASN H . . 5.960 4.283 4.283 4.283 . 0 0 "[ ]" 1
1309 1 68 THR HG1 1 70 ASN HB2 . . 4.960 4.329 4.329 4.329 . 0 0 "[ ]" 1
1310 1 68 THR HG1 1 70 ASN QB . . 4.580 3.927 3.927 3.927 . 0 0 "[ ]" 1
1311 1 68 THR HG1 1 70 ASN HB3 . . 4.960 4.498 4.498 4.498 . 0 0 "[ ]" 1
1312 1 68 THR HG1 1 71 LYS H . . 4.520 2.758 2.758 2.758 . 0 0 "[ ]" 1
1313 1 68 THR HG1 1 71 LYS QD . . 6.880 2.118 2.118 2.118 . 0 0 "[ ]" 1
1314 1 68 THR HG1 1 71 LYS HE2 . . 5.780 2.453 2.453 2.453 . 0 0 "[ ]" 1
1315 1 68 THR HG1 1 71 LYS QE . . 5.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
1316 1 68 THR HG1 1 71 LYS HE3 . . 5.780 3.653 3.653 3.653 . 0 0 "[ ]" 1
1317 1 68 THR HG1 1 71 LYS HG2 . . 5.500 3.882 3.882 3.882 . 0 0 "[ ]" 1
1318 1 68 THR HG1 1 71 LYS QG . . 5.180 2.515 2.515 2.515 . 0 0 "[ ]" 1
1319 1 68 THR HG1 1 71 LYS HG3 . . 5.500 2.547 2.547 2.547 . 0 0 "[ ]" 1
1320 1 68 THR MG 1 69 PRO HD2 . . 6.020 2.878 2.878 2.878 . 0 0 "[ ]" 1
1321 1 68 THR MG 1 69 PRO QD . . 5.830 2.632 2.632 2.632 . 0 0 "[ ]" 1
1322 1 68 THR MG 1 69 PRO HD3 . . 6.020 3.047 3.047 3.047 . 0 0 "[ ]" 1
1323 1 68 THR MG 1 70 ASN H . . 7.030 4.201 4.201 4.201 . 0 0 "[ ]" 1
1324 1 68 THR MG 1 70 ASN HB2 . . 7.030 4.480 4.480 4.480 . 0 0 "[ ]" 1
1325 1 68 THR MG 1 70 ASN HB3 . . 7.030 5.287 5.287 5.287 . 0 0 "[ ]" 1
1326 1 68 THR MG 1 71 LYS H . . 6.630 4.204 4.204 4.204 . 0 0 "[ ]" 1
1327 1 68 THR MG 1 71 LYS QD . . 6.460 3.522 3.522 3.522 . 0 0 "[ ]" 1
1328 1 68 THR MG 1 71 LYS HE2 . . 6.700 3.420 3.420 3.420 . 0 0 "[ ]" 1
1329 1 68 THR MG 1 71 LYS QE . . 6.030 3.288 3.288 3.288 . 0 0 "[ ]" 1
1330 1 68 THR MG 1 71 LYS HE3 . . 6.700 4.262 4.262 4.262 . 0 0 "[ ]" 1
1331 1 69 PRO HA 1 72 ILE H . . 3.840 3.360 3.360 3.360 . 0 0 "[ ]" 1
1332 1 69 PRO HA 1 72 ILE HB . . 3.230 2.594 2.594 2.594 . 0 0 "[ ]" 1
1333 1 69 PRO HA 1 72 ILE MD . . 4.540 3.208 3.208 3.208 . 0 0 "[ ]" 1
1334 1 69 PRO HA 1 72 ILE MG . . 6.090 3.876 3.876 3.876 . 0 0 "[ ]" 1
1335 1 69 PRO HA 1 73 ILE H . . 4.490 3.675 3.675 3.675 . 0 0 "[ ]" 1
1336 1 69 PRO HA 1 73 ILE MD . . 7.030 4.367 4.367 4.367 . 0 0 "[ ]" 1
1337 1 69 PRO QB 1 70 ASN H . . 4.150 3.233 3.233 3.233 . 0 0 "[ ]" 1
1338 1 69 PRO QB 1 72 ILE HB . . 4.680 4.286 4.286 4.286 . 0 0 "[ ]" 1
1339 1 69 PRO QB 1 73 ILE H . . 5.110 4.397 4.397 4.397 . 0 0 "[ ]" 1
1340 1 69 PRO QB 1 73 ILE QG . . 6.310 3.932 3.932 3.932 . 0 0 "[ ]" 1
1341 1 69 PRO QD 1 70 ASN H . . 5.100 2.234 2.234 2.234 . 0 0 "[ ]" 1
1342 1 69 PRO QD 1 70 ASN QB . . 7.750 3.381 3.381 3.381 . 0 0 "[ ]" 1
1343 1 69 PRO QD 1 70 ASN QD . . 7.740 4.871 4.871 4.871 . 0 0 "[ ]" 1
1344 1 69 PRO HD2 1 70 ASN H . . 5.280 2.254 2.254 2.254 . 0 0 "[ ]" 1
1345 1 69 PRO HD3 1 70 ASN H . . 5.280 3.662 3.662 3.662 . 0 0 "[ ]" 1
1346 1 70 ASN H 1 70 ASN HB2 . . 3.260 2.028 2.028 2.028 . 0 0 "[ ]" 1
1347 1 70 ASN H 1 70 ASN QB . . 3.020 2.008 2.008 2.008 . 0 0 "[ ]" 1
1348 1 70 ASN H 1 70 ASN HB3 . . 3.260 3.236 3.236 3.236 . 0 0 "[ ]" 1
1349 1 70 ASN H 1 70 ASN HD21 . . 6.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
1350 1 70 ASN H 1 70 ASN HD22 . . 6.000 5.171 5.171 5.171 . 0 0 "[ ]" 1
1351 1 70 ASN H 1 71 LYS H . . 4.020 2.623 2.623 2.623 . 0 0 "[ ]" 1
1352 1 70 ASN H 1 72 ILE H . . 5.210 3.851 3.851 3.851 . 0 0 "[ ]" 1
1353 1 70 ASN H 1 73 ILE H . . 5.570 4.471 4.471 4.471 . 0 0 "[ ]" 1
1354 1 70 ASN HA 1 72 ILE H . . 4.090 4.112 4.112 4.112 0.022 1 0 "[ ]" 1
1355 1 70 ASN HA 1 73 ILE H . . 3.700 3.289 3.289 3.289 . 0 0 "[ ]" 1
1356 1 70 ASN HA 1 73 ILE HB . . 3.080 2.262 2.262 2.262 . 0 0 "[ ]" 1
1357 1 70 ASN HA 1 73 ILE MD . . 4.180 2.797 2.797 2.797 . 0 0 "[ ]" 1
1358 1 70 ASN HA 1 73 ILE MG . . 5.520 3.284 3.284 3.284 . 0 0 "[ ]" 1
1359 1 70 ASN HA 1 74 ALA H . . 4.740 4.177 4.177 4.177 . 0 0 "[ ]" 1
1360 1 70 ASN QB 1 71 LYS H . . 3.760 2.543 2.543 2.543 . 0 0 "[ ]" 1
1361 1 70 ASN QB 1 73 ILE H . . 6.260 4.859 4.859 4.859 . 0 0 "[ ]" 1
1362 1 70 ASN QB 1 74 ALA MB . . 6.900 4.221 4.221 4.221 . 0 0 "[ ]" 1
1363 1 70 ASN HB2 1 71 LYS H . . 3.950 2.953 2.953 2.953 . 0 0 "[ ]" 1
1364 1 70 ASN HB2 1 74 ALA MB . . 7.030 5.667 5.667 5.667 . 0 0 "[ ]" 1
1365 1 70 ASN HB3 1 71 LYS H . . 3.950 2.775 2.775 2.775 . 0 0 "[ ]" 1
1366 1 70 ASN HB3 1 74 ALA MB . . 7.030 4.355 4.355 4.355 . 0 0 "[ ]" 1
1367 1 71 LYS H 1 71 LYS HB2 . . 3.660 2.126 2.126 2.126 . 0 0 "[ ]" 1
1368 1 71 LYS H 1 71 LYS QB . . 3.410 2.107 2.107 2.107 . 0 0 "[ ]" 1
1369 1 71 LYS H 1 71 LYS HB3 . . 3.660 3.432 3.432 3.432 . 0 0 "[ ]" 1
1370 1 71 LYS H 1 71 LYS HE2 . . 6.000 4.572 4.572 4.572 . 0 0 "[ ]" 1
1371 1 71 LYS H 1 71 LYS HE3 . . 6.000 5.880 5.880 5.880 . 0 0 "[ ]" 1
1372 1 71 LYS H 1 71 LYS HG2 . . 5.060 3.968 3.968 3.968 . 0 0 "[ ]" 1
1373 1 71 LYS H 1 71 LYS QG . . 4.640 2.782 2.782 2.782 . 0 0 "[ ]" 1
1374 1 71 LYS H 1 71 LYS HG3 . . 5.060 2.841 2.841 2.841 . 0 0 "[ ]" 1
1375 1 71 LYS H 1 72 ILE H . . 3.550 2.704 2.704 2.704 . 0 0 "[ ]" 1
1376 1 71 LYS H 1 73 ILE H . . 5.240 4.367 4.367 4.367 . 0 0 "[ ]" 1
1377 1 71 LYS HA 1 71 LYS HG2 . . 3.660 2.391 2.391 2.391 . 0 0 "[ ]" 1
1378 1 71 LYS HA 1 71 LYS QG . . 3.410 2.189 2.189 2.189 . 0 0 "[ ]" 1
1379 1 71 LYS HA 1 71 LYS HG3 . . 3.660 2.540 2.540 2.540 . 0 0 "[ ]" 1
1380 1 71 LYS HA 1 74 ALA H . . 3.980 3.692 3.692 3.692 . 0 0 "[ ]" 1
1381 1 71 LYS HA 1 74 ALA MB . . 4.540 2.874 2.874 2.874 . 0 0 "[ ]" 1
1382 1 71 LYS QB 1 72 ILE H . . 3.590 2.929 2.929 2.929 . 0 0 "[ ]" 1
1383 1 71 LYS QB 1 74 ALA H . . 5.720 4.937 4.937 4.937 . 0 0 "[ ]" 1
1384 1 71 LYS HB2 1 72 ILE H . . 4.200 3.118 3.118 3.118 . 0 0 "[ ]" 1
1385 1 71 LYS HB3 1 72 ILE H . . 4.200 3.556 3.556 3.556 . 0 0 "[ ]" 1
1386 1 71 LYS QG 1 72 ILE H . . 6.880 4.507 4.507 4.507 . 0 0 "[ ]" 1
1387 1 72 ILE H 1 72 ILE HB . . 2.760 2.253 2.253 2.253 . 0 0 "[ ]" 1
1388 1 72 ILE H 1 72 ILE MD . . 5.550 3.796 3.796 3.796 . 0 0 "[ ]" 1
1389 1 72 ILE H 1 73 ILE H . . 3.730 2.533 2.533 2.533 . 0 0 "[ ]" 1
1390 1 72 ILE H 1 73 ILE HB . . 4.090 4.220 4.220 4.220 0.130 1 0 "[ ]" 1
1391 1 72 ILE H 1 74 ALA H . . 4.780 3.688 3.688 3.688 . 0 0 "[ ]" 1
1392 1 72 ILE HA 1 74 ALA H . . 4.880 3.752 3.752 3.752 . 0 0 "[ ]" 1
1393 1 72 ILE HA 1 75 LYS H . . 3.590 2.787 2.787 2.787 . 0 0 "[ ]" 1
1394 1 72 ILE HA 1 75 LYS HB2 . . 4.090 2.829 2.829 2.829 . 0 0 "[ ]" 1
1395 1 72 ILE HA 1 75 LYS QB . . 3.750 2.260 2.260 2.260 . 0 0 "[ ]" 1
1396 1 72 ILE HA 1 75 LYS HB3 . . 4.090 2.376 2.376 2.376 . 0 0 "[ ]" 1
1397 1 72 ILE HA 1 75 LYS QG . . 6.010 3.965 3.965 3.965 . 0 0 "[ ]" 1
1398 1 72 ILE HB 1 73 ILE H . . 3.300 2.564 2.564 2.564 . 0 0 "[ ]" 1
1399 1 72 ILE MD 1 73 ILE H . . 6.810 4.556 4.556 4.556 . 0 0 "[ ]" 1
1400 1 72 ILE MG 1 73 ILE H . . 6.130 3.092 3.092 3.092 . 0 0 "[ ]" 1
1401 1 72 ILE MG 1 73 ILE HA . . 6.020 3.312 3.312 3.312 . 0 0 "[ ]" 1
1402 1 73 ILE H 1 73 ILE HB . . 2.980 2.100 2.100 2.100 . 0 0 "[ ]" 1
1403 1 73 ILE H 1 73 ILE MD . . 5.080 3.541 3.541 3.541 . 0 0 "[ ]" 1
1404 1 73 ILE H 1 74 ALA H . . 3.660 2.791 2.791 2.791 . 0 0 "[ ]" 1
1405 1 73 ILE H 1 74 ALA HA . . 5.320 5.326 5.326 5.326 0.006 1 0 "[ ]" 1
1406 1 73 ILE H 1 74 ALA MB . . 7.030 4.333 4.333 4.333 . 0 0 "[ ]" 1
1407 1 73 ILE HA 1 73 ILE QG . . 3.690 2.194 2.194 2.194 . 0 0 "[ ]" 1
1408 1 73 ILE HA 1 76 VAL H . . 4.340 3.488 3.488 3.488 . 0 0 "[ ]" 1
1409 1 73 ILE HA 1 76 VAL HB . . 3.620 2.924 2.924 2.924 . 0 0 "[ ]" 1
1410 1 73 ILE HA 1 76 VAL MG1 . . 6.740 4.203 4.203 4.203 . 0 0 "[ ]" 1
1411 1 73 ILE HA 1 76 VAL QG . . 5.830 2.628 2.628 2.628 . 0 0 "[ ]" 1
1412 1 73 ILE HA 1 76 VAL MG2 . . 6.740 2.655 2.655 2.655 . 0 0 "[ ]" 1
1413 1 73 ILE HA 1 77 GLU H . . 4.810 4.453 4.453 4.453 . 0 0 "[ ]" 1
1414 1 73 ILE HB 1 74 ALA H . . 3.340 3.264 3.264 3.264 . 0 0 "[ ]" 1
1415 1 73 ILE MG 1 74 ALA H . . 5.480 3.155 3.155 3.155 . 0 0 "[ ]" 1
1416 1 73 ILE MG 1 74 ALA HA . . 5.230 3.227 3.227 3.227 . 0 0 "[ ]" 1
1417 1 73 ILE MG 1 74 ALA MB . . 7.370 3.429 3.429 3.429 . 0 0 "[ ]" 1
1418 1 73 ILE MG 1 75 LYS H . . 7.030 4.847 4.847 4.847 . 0 0 "[ ]" 1
1419 1 73 ILE MG 1 76 VAL H . . 7.030 4.662 4.662 4.662 . 0 0 "[ ]" 1
1420 1 73 ILE MG 1 77 GLU QG . . 5.890 2.805 2.805 2.805 . 0 0 "[ ]" 1
1421 1 74 ALA H 1 75 LYS QD . . 6.700 5.908 5.908 5.908 . 0 0 "[ ]" 1
1422 1 74 ALA HA 1 76 VAL H . . 4.310 3.885 3.885 3.885 . 0 0 "[ ]" 1
1423 1 74 ALA HA 1 77 GLU H . . 3.410 3.048 3.048 3.048 . 0 0 "[ ]" 1
1424 1 74 ALA HA 1 77 GLU QB . . 4.750 2.514 2.514 2.514 . 0 0 "[ ]" 1
1425 1 74 ALA HA 1 77 GLU HG2 . . 4.700 4.134 4.134 4.134 . 0 0 "[ ]" 1
1426 1 74 ALA HA 1 77 GLU QG . . 4.010 2.994 2.994 2.994 . 0 0 "[ ]" 1
1427 1 74 ALA HA 1 77 GLU HG3 . . 4.700 3.073 3.073 3.073 . 0 0 "[ ]" 1
1428 1 74 ALA HA 1 78 GLN H . . 4.020 4.058 4.058 4.058 0.038 1 0 "[ ]" 1
1429 1 74 ALA MB 1 75 LYS HA . . 6.060 3.766 3.766 3.766 . 0 0 "[ ]" 1
1430 1 74 ALA MB 1 76 VAL H . . 7.030 4.339 4.339 4.339 . 0 0 "[ ]" 1
1431 1 74 ALA MB 1 77 GLU H . . 6.420 4.335 4.335 4.335 . 0 0 "[ ]" 1
1432 1 74 ALA MB 1 78 GLN H . . 7.030 4.511 4.511 4.511 . 0 0 "[ ]" 1
1433 1 74 ALA MB 1 78 GLN HE21 . . 7.030 3.508 3.508 3.508 . 0 0 "[ ]" 1
1434 1 74 ALA MB 1 78 GLN HE22 . . 7.030 3.424 3.424 3.424 . 0 0 "[ ]" 1
1435 1 75 LYS H 1 75 LYS HB2 . . 3.480 2.408 2.408 2.408 . 0 0 "[ ]" 1
1436 1 75 LYS H 1 75 LYS QB . . 3.240 2.200 2.200 2.200 . 0 0 "[ ]" 1
1437 1 75 LYS H 1 75 LYS HB3 . . 3.480 2.544 2.544 2.544 . 0 0 "[ ]" 1
1438 1 75 LYS H 1 75 LYS HD2 . . 5.390 4.704 4.704 4.704 . 0 0 "[ ]" 1
1439 1 75 LYS H 1 75 LYS QD . . 4.550 3.968 3.968 3.968 . 0 0 "[ ]" 1
1440 1 75 LYS H 1 75 LYS HD3 . . 5.390 4.275 4.275 4.275 . 0 0 "[ ]" 1
1441 1 75 LYS H 1 76 VAL H . . 3.550 2.539 2.539 2.539 . 0 0 "[ ]" 1
1442 1 75 LYS H 1 77 GLU H . . 4.490 4.009 4.009 4.009 . 0 0 "[ ]" 1
1443 1 75 LYS HA 1 75 LYS QB . . 2.680 2.396 2.396 2.396 . 0 0 "[ ]" 1
1444 1 75 LYS HA 1 75 LYS HD2 . . 4.380 2.102 2.102 2.102 . 0 0 "[ ]" 1
1445 1 75 LYS HA 1 75 LYS QD . . 3.760 1.911 1.911 1.911 . 0 0 "[ ]" 1
1446 1 75 LYS HA 1 75 LYS HD3 . . 4.380 2.194 2.194 2.194 . 0 0 "[ ]" 1
1447 1 75 LYS HA 1 75 LYS HE2 . . 5.060 4.395 4.395 4.395 . 0 0 "[ ]" 1
1448 1 75 LYS HA 1 75 LYS QE . . 4.770 3.958 3.958 3.958 . 0 0 "[ ]" 1
1449 1 75 LYS HA 1 75 LYS HE3 . . 5.060 4.494 4.494 4.494 . 0 0 "[ ]" 1
1450 1 75 LYS HA 1 76 VAL H . . 3.590 3.518 3.518 3.518 . 0 0 "[ ]" 1
1451 1 75 LYS HA 1 77 GLU H . . 4.450 4.240 4.240 4.240 . 0 0 "[ ]" 1
1452 1 75 LYS HA 1 78 GLN H . . 3.230 3.258 3.258 3.258 0.028 1 0 "[ ]" 1
1453 1 75 LYS HA 1 78 GLN QB . . 4.280 2.771 2.771 2.771 . 0 0 "[ ]" 1
1454 1 75 LYS QB 1 75 LYS QD . . 3.180 2.422 2.422 2.422 . 0 0 "[ ]" 1
1455 1 75 LYS QB 1 76 VAL H . . 4.790 3.037 3.037 3.037 . 0 0 "[ ]" 1
1456 1 75 LYS QB 1 77 GLU H . . 5.980 4.852 4.852 4.852 . 0 0 "[ ]" 1
1457 1 75 LYS HB2 1 75 LYS HD2 . . 4.260 3.468 3.468 3.468 . 0 0 "[ ]" 1
1458 1 75 LYS HB2 1 75 LYS HD3 . . 4.260 2.550 2.550 2.550 . 0 0 "[ ]" 1
1459 1 75 LYS HB3 1 75 LYS HD2 . . 4.260 3.818 3.818 3.818 . 0 0 "[ ]" 1
1460 1 75 LYS HB3 1 75 LYS HD3 . . 4.260 3.661 3.661 3.661 . 0 0 "[ ]" 1
1461 1 75 LYS QD 1 76 VAL H . . 5.720 4.624 4.624 4.624 . 0 0 "[ ]" 1
1462 1 75 LYS QD 1 78 GLN QE . . 7.740 4.929 4.929 4.929 . 0 0 "[ ]" 1
1463 1 75 LYS QG 1 76 VAL H . . 6.880 4.233 4.233 4.233 . 0 0 "[ ]" 1
1464 1 76 VAL H 1 76 VAL HB . . 3.190 2.412 2.412 2.412 . 0 0 "[ ]" 1
1465 1 76 VAL H 1 76 VAL QG . . 4.200 2.326 2.326 2.326 . 0 0 "[ ]" 1
1466 1 76 VAL H 1 77 GLU H . . 3.440 2.348 2.348 2.348 . 0 0 "[ ]" 1
1467 1 76 VAL H 1 77 GLU QG . . 6.880 4.110 4.110 4.110 . 0 0 "[ ]" 1
1468 1 76 VAL HA 1 78 GLN H . . 4.810 4.146 4.146 4.146 . 0 0 "[ ]" 1
1469 1 76 VAL HA 1 79 ALA H . . 4.060 4.045 4.045 4.045 . 0 0 "[ ]" 1
1470 1 76 VAL HA 1 79 ALA MB . . 5.080 2.552 2.552 2.552 . 0 0 "[ ]" 1
1471 1 76 VAL HA 1 80 GLN HE21 . . 5.640 3.986 3.986 3.986 . 0 0 "[ ]" 1
1472 1 76 VAL HA 1 80 GLN QE . . 5.410 3.866 3.866 3.866 . 0 0 "[ ]" 1
1473 1 76 VAL HA 1 80 GLN HE22 . . 5.640 5.208 5.208 5.208 . 0 0 "[ ]" 1
1474 1 76 VAL HB 1 77 GLU H . . 3.370 2.868 2.868 2.868 . 0 0 "[ ]" 1
1475 1 76 VAL QG 1 77 GLU HA . . 7.400 3.763 3.763 3.763 . 0 0 "[ ]" 1
1476 1 76 VAL QG 1 77 GLU QG . . 9.460 3.435 3.435 3.435 . 0 0 "[ ]" 1
1477 1 76 VAL QG 1 78 GLN H . . 8.590 4.540 4.540 4.540 . 0 0 "[ ]" 1
1478 1 76 VAL QG 1 79 ALA H . . 8.590 4.434 4.434 4.434 . 0 0 "[ ]" 1
1479 1 76 VAL QG 1 80 GLN QE . . 7.840 2.888 2.888 2.888 . 0 0 "[ ]" 1
1480 1 76 VAL QG 1 80 GLN QG . . 8.280 3.263 3.263 3.263 . 0 0 "[ ]" 1
1481 1 76 VAL MG1 1 77 GLU H . . 5.980 3.794 3.794 3.794 . 0 0 "[ ]" 1
1482 1 76 VAL MG1 1 80 GLN HE21 . . 9.750 3.027 3.027 3.027 . 0 0 "[ ]" 1
1483 1 76 VAL MG1 1 80 GLN HE22 . . 9.750 3.760 3.760 3.760 . 0 0 "[ ]" 1
1484 1 76 VAL MG1 1 80 GLN HG2 . . 10.150 3.431 3.431 3.431 . 0 0 "[ ]" 1
1485 1 76 VAL MG1 1 80 GLN HG3 . . 10.150 4.216 4.216 4.216 . 0 0 "[ ]" 1
1486 1 76 VAL MG2 1 77 GLU H . . 5.980 3.910 3.910 3.910 . 0 0 "[ ]" 1
1487 1 76 VAL MG2 1 80 GLN HE21 . . 9.750 5.275 5.275 5.275 . 0 0 "[ ]" 1
1488 1 76 VAL MG2 1 80 GLN HE22 . . 9.750 5.936 5.936 5.936 . 0 0 "[ ]" 1
1489 1 76 VAL MG2 1 80 GLN HG2 . . 10.150 5.778 5.778 5.778 . 0 0 "[ ]" 1
1490 1 76 VAL MG2 1 80 GLN HG3 . . 10.150 6.740 6.740 6.740 . 0 0 "[ ]" 1
1491 1 77 GLU H 1 77 GLU HG2 . . 3.800 2.643 2.643 2.643 . 0 0 "[ ]" 1
1492 1 77 GLU H 1 77 GLU QG . . 3.520 2.515 2.515 2.515 . 0 0 "[ ]" 1
1493 1 77 GLU H 1 77 GLU HG3 . . 3.800 3.152 3.152 3.152 . 0 0 "[ ]" 1
1494 1 77 GLU H 1 78 GLN H . . 3.550 2.405 2.405 2.405 . 0 0 "[ ]" 1
1495 1 77 GLU H 1 79 ALA H . . 4.850 4.118 4.118 4.118 . 0 0 "[ ]" 1
1496 1 77 GLU H 1 79 ALA MB . . 6.630 4.509 4.509 4.509 . 0 0 "[ ]" 1
1497 1 77 GLU HA 1 77 GLU QG . . 3.630 2.396 2.396 2.396 . 0 0 "[ ]" 1
1498 1 77 GLU HA 1 78 GLN H . . 3.590 3.530 3.530 3.530 . 0 0 "[ ]" 1
1499 1 77 GLU HA 1 79 ALA H . . 4.450 3.410 3.410 3.410 . 0 0 "[ ]" 1
1500 1 77 GLU HA 1 80 GLN H . . 3.840 3.529 3.529 3.529 . 0 0 "[ ]" 1
1501 1 77 GLU HA 1 80 GLN QB . . 4.680 3.653 3.653 3.653 . 0 0 "[ ]" 1
1502 1 77 GLU HA 1 80 GLN QE . . 6.870 4.465 4.465 4.465 . 0 0 "[ ]" 1
1503 1 77 GLU HA 1 80 GLN HG2 . . 4.490 2.919 2.919 2.919 . 0 0 "[ ]" 1
1504 1 77 GLU HA 1 80 GLN QG . . 3.940 2.829 2.829 2.829 . 0 0 "[ ]" 1
1505 1 77 GLU HA 1 80 GLN HG3 . . 4.490 3.797 3.797 3.797 . 0 0 "[ ]" 1
1506 1 77 GLU QG 1 78 GLN H . . 6.550 4.233 4.233 4.233 . 0 0 "[ ]" 1
1507 1 77 GLU QG 1 80 GLN H . . 6.880 5.552 5.552 5.552 . 0 0 "[ ]" 1
1508 1 78 GLN H 1 79 ALA H . . 3.480 2.787 2.787 2.787 . 0 0 "[ ]" 1
1509 1 78 GLN H 1 79 ALA HA . . 5.280 4.961 4.961 4.961 . 0 0 "[ ]" 1
1510 1 78 GLN H 1 79 ALA MB . . 7.030 3.800 3.800 3.800 . 0 0 "[ ]" 1
1511 1 78 GLN H 1 80 GLN H . . 4.880 4.497 4.497 4.497 . 0 0 "[ ]" 1
1512 1 78 GLN HA 1 79 ALA H . . 3.050 3.052 3.052 3.052 0.002 1 0 "[ ]" 1
1513 1 79 ALA H 1 80 GLN QG . . 6.880 3.419 3.419 3.419 . 0 0 "[ ]" 1
1514 1 79 ALA MB 1 80 GLN HE21 . . 7.030 2.641 2.641 2.641 . 0 0 "[ ]" 1
1515 1 79 ALA MB 1 80 GLN QE . . 6.600 2.570 2.570 2.570 . 0 0 "[ ]" 1
1516 1 79 ALA MB 1 80 GLN HE22 . . 7.030 3.521 3.521 3.521 . 0 0 "[ ]" 1
1517 1 79 ALA MB 1 80 GLN QG . . 7.760 3.633 3.633 3.633 . 0 0 "[ ]" 1
1518 1 80 GLN H 1 80 GLN HB2 . . 3.550 2.561 2.561 2.561 . 0 0 "[ ]" 1
1519 1 80 GLN H 1 80 GLN QB . . 3.330 2.506 2.506 2.506 . 0 0 "[ ]" 1
1520 1 80 GLN H 1 80 GLN HB3 . . 3.550 3.555 3.555 3.555 0.005 1 0 "[ ]" 1
1521 1 80 GLN H 1 80 GLN QG . . 4.900 2.032 2.032 2.032 . 0 0 "[ ]" 1
1522 1 80 GLN HA 1 80 GLN HE21 . . 6.000 2.852 2.852 2.852 . 0 0 "[ ]" 1
1523 1 80 GLN HA 1 80 GLN HE22 . . 6.000 3.142 3.142 3.142 . 0 0 "[ ]" 1
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