NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402854 |
1wh1   |
11201 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wh1
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 1723
_Distance_constraint_stats_list.Viol_count 193
_Distance_constraint_stats_list.Viol_total 33.409
_Distance_constraint_stats_list.Viol_max 2.580
_Distance_constraint_stats_list.Viol_rms 0.1310
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0194
_Distance_constraint_stats_list.Viol_average_violations_only 0.1731
_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 8 ASP 0.000 0.000 . 0 "[ ]"
1 9 ILE 0.000 0.000 . 0 "[ ]"
1 10 HIS 0.000 0.000 . 0 "[ ]"
1 11 GLN 0.000 0.000 . 0 "[ ]"
1 12 GLU 0.307 0.299 1 0 "[ ]"
1 13 MET 0.314 0.299 1 0 "[ ]"
1 14 ASP 0.000 0.000 . 0 "[ ]"
1 15 ARG 1.109 0.971 1 1 [+]
1 16 GLU 1.054 0.971 1 1 [+]
1 17 GLU 3.150 1.344 1 1 [+]
1 18 LEU 5.938 2.580 1 1 [+]
1 19 GLU 2.775 2.459 1 1 [+]
1 20 LEU 0.328 0.132 1 0 "[ ]"
1 21 GLU 1.231 0.909 1 1 [+]
1 22 GLU 0.980 0.909 1 1 [+]
1 23 VAL 0.367 0.190 1 0 "[ ]"
1 24 ASP 0.047 0.033 1 0 "[ ]"
1 25 LEU 0.058 0.032 1 0 "[ ]"
1 26 TYR 0.697 0.643 1 1 [+]
1 27 ARG 1.897 1.319 1 1 [+]
1 28 MET 1.471 0.643 1 1 [+]
1 29 ASN 0.315 0.260 1 0 "[ ]"
1 30 SER 0.000 0.000 . 0 "[ ]"
1 31 GLN 0.000 0.000 . 0 "[ ]"
1 32 ASP 0.364 0.364 1 0 "[ ]"
1 33 LYS 0.415 0.125 1 0 "[ ]"
1 34 LEU 0.656 0.516 1 1 [+]
1 35 GLY 0.234 0.125 1 0 "[ ]"
1 36 LEU 1.173 0.516 1 1 [+]
1 37 THR 0.750 0.511 1 1 [+]
1 38 VAL 0.373 0.195 1 0 "[ ]"
1 39 CYS 0.009 0.009 1 0 "[ ]"
1 40 TYR 0.004 0.004 1 0 "[ ]"
1 41 ARG 2.883 1.693 1 1 [+]
1 42 THR 3.591 1.693 1 1 [+]
1 43 ASP 0.000 0.000 . 0 "[ ]"
1 44 ASP 0.233 0.170 1 0 "[ ]"
1 45 GLU 0.209 0.170 1 0 "[ ]"
1 46 ASP 0.000 0.000 . 0 "[ ]"
1 47 ASP 0.105 0.105 1 0 "[ ]"
1 48 ILE 1.171 0.702 1 1 [+]
1 49 GLY 0.038 0.038 1 0 "[ ]"
1 50 ILE 0.252 0.080 1 0 "[ ]"
1 51 TYR 0.505 0.242 1 0 "[ ]"
1 52 ILE 1.958 1.484 1 1 [+]
1 53 SER 0.000 0.000 . 0 "[ ]"
1 54 GLU 0.361 0.172 1 0 "[ ]"
1 55 ILE 0.387 0.122 1 0 "[ ]"
1 56 ASP 0.000 0.000 . 0 "[ ]"
1 57 PRO 0.342 0.304 1 0 "[ ]"
1 58 ASN 0.539 0.304 1 0 "[ ]"
1 59 SER 0.164 0.095 1 0 "[ ]"
1 60 ILE 0.166 0.110 1 0 "[ ]"
1 61 ALA 0.351 0.126 1 0 "[ ]"
1 62 ALA 0.043 0.037 1 0 "[ ]"
1 63 LYS 0.087 0.087 1 0 "[ ]"
1 64 ASP 0.049 0.034 1 0 "[ ]"
1 65 GLY 0.139 0.139 1 0 "[ ]"
1 66 ARG 0.250 0.139 1 0 "[ ]"
1 67 ILE 0.097 0.068 1 0 "[ ]"
1 68 ARG 0.251 0.094 1 0 "[ ]"
1 69 GLU 1.836 1.484 1 1 [+]
1 70 GLY 0.078 0.042 1 0 "[ ]"
1 71 ASP 0.187 0.061 1 0 "[ ]"
1 72 ARG 0.344 0.237 1 0 "[ ]"
1 73 ILE 1.526 0.890 1 1 [+]
1 74 ILE 0.265 0.096 1 0 "[ ]"
1 75 GLN 0.264 0.082 1 0 "[ ]"
1 76 ILE 0.575 0.136 1 0 "[ ]"
1 77 ASN 0.166 0.116 1 0 "[ ]"
1 78 GLY 0.082 0.082 1 0 "[ ]"
1 79 ILE 0.261 0.111 1 0 "[ ]"
1 80 GLU 0.362 0.111 1 0 "[ ]"
1 81 VAL 0.163 0.056 1 0 "[ ]"
1 82 GLN 0.069 0.035 1 0 "[ ]"
1 83 ASN 0.168 0.056 1 0 "[ ]"
1 84 ARG 0.565 0.483 1 0 "[ ]"
1 85 GLU 0.159 0.159 1 0 "[ ]"
1 86 GLU 0.299 0.122 1 0 "[ ]"
1 87 ALA 0.268 0.121 1 0 "[ ]"
1 88 VAL 0.627 0.483 1 0 "[ ]"
1 89 ALA 0.418 0.257 1 0 "[ ]"
1 90 LEU 0.492 0.257 1 0 "[ ]"
1 91 LEU 0.415 0.113 1 0 "[ ]"
1 92 THR 0.000 0.000 . 0 "[ ]"
1 93 SER 0.013 0.013 1 0 "[ ]"
1 94 GLU 0.000 0.000 . 0 "[ ]"
1 95 GLU 0.324 0.312 1 0 "[ ]"
1 96 ASN 0.028 0.028 1 0 "[ ]"
1 97 LYS 0.451 0.246 1 0 "[ ]"
1 98 ASN 0.000 0.000 . 0 "[ ]"
1 99 PHE 1.385 1.319 1 1 [+]
1 100 SER 0.033 0.033 1 0 "[ ]"
1 101 LEU 1.027 0.890 1 1 [+]
1 102 LEU 0.266 0.069 1 0 "[ ]"
1 103 ILE 0.365 0.106 1 0 "[ ]"
1 104 ALA 0.472 0.132 1 0 "[ ]"
1 105 ARG 0.349 0.140 1 0 "[ ]"
1 106 PRO 0.272 0.140 1 0 "[ ]"
1 107 GLU 5.685 2.580 1 1 [+]
1 108 LEU 0.893 0.893 1 1 [+]
1 109 GLN 0.948 0.893 1 1 [+]
1 110 LEU 0.093 0.093 1 0 "[ ]"
1 111 ASP 0.000 0.000 . 0 "[ ]"
1 112 GLU 0.000 0.000 . 0 "[ ]"
1 113 GLY 0.000 0.000 . 0 "[ ]"
1 114 TRP 0.000 0.000 . 0 "[ ]"
1 115 MET 0.000 0.000 . 0 "[ ]"
1 116 ASP 0.000 0.000 . 0 "[ ]"
1 117 ASP 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 82 GLN HA 1 82 GLN HE21 . . 5.320 4.847 4.847 4.847 . 0 0 "[ ]" 1
2 1 58 ASN HB2 1 59 SER H . . 4.760 4.670 4.670 4.670 . 0 0 "[ ]" 1
3 1 58 ASN H 1 59 SER H . . 3.900 3.585 3.585 3.585 . 0 0 "[ ]" 1
4 1 59 SER H 1 63 LYS H . . 4.810 2.846 2.846 2.846 . 0 0 "[ ]" 1
5 1 59 SER H 1 62 ALA H . . 4.450 3.378 3.378 3.378 . 0 0 "[ ]" 1
6 1 59 SER H 1 59 SER HG . . 3.850 3.822 3.822 3.822 . 0 0 "[ ]" 1
7 1 59 SER H 1 59 SER HB2 . . 4.100 3.948 3.948 3.948 . 0 0 "[ ]" 1
8 1 59 SER H 1 59 SER HB3 . . 3.910 3.269 3.269 3.269 . 0 0 "[ ]" 1
9 1 58 ASN HB3 1 59 SER H . . 4.920 4.270 4.270 4.270 . 0 0 "[ ]" 1
10 1 56 ASP QB 1 59 SER H . . 4.600 3.937 3.937 3.937 . 0 0 "[ ]" 1
11 1 82 GLN H 1 83 ASN H . . 3.340 1.887 1.887 1.887 . 0 0 "[ ]" 1
12 1 83 ASN H 1 84 ARG H . . 4.900 4.270 4.270 4.270 . 0 0 "[ ]" 1
13 1 83 ASN H 1 86 GLU H . . 4.600 4.581 4.581 4.581 . 0 0 "[ ]" 1
14 1 82 GLN QG 1 83 ASN H . . 4.480 4.513 4.513 4.513 0.033 1 0 "[ ]" 1
15 1 82 GLN HB3 1 83 ASN H . . 4.410 4.445 4.445 4.445 0.035 1 0 "[ ]" 1
16 1 83 ASN H 1 87 ALA MB . . 5.010 4.142 4.142 4.142 . 0 0 "[ ]" 1
17 1 101 LEU H 1 102 LEU H . . 5.030 4.613 4.613 4.613 . 0 0 "[ ]" 1
18 1 100 SER HB2 1 101 LEU H . . 4.740 4.692 4.692 4.692 . 0 0 "[ ]" 1
19 1 101 LEU H 1 101 LEU HB2 . . 3.780 2.531 2.531 2.531 . 0 0 "[ ]" 1
20 1 96 ASN H 1 96 ASN HD21 . . 4.490 3.173 3.173 3.173 . 0 0 "[ ]" 1
21 1 90 LEU HA 1 96 ASN HD21 . . 4.820 4.271 4.271 4.271 . 0 0 "[ ]" 1
22 1 93 SER HB2 1 96 ASN HD21 . . 4.840 2.334 2.334 2.334 . 0 0 "[ ]" 1
23 1 90 LEU MD2 1 96 ASN HD21 . . 5.020 2.702 2.702 2.702 . 0 0 "[ ]" 1
24 1 90 LEU HA 1 96 ASN HD22 . . 5.010 4.985 4.985 4.985 . 0 0 "[ ]" 1
25 1 93 SER HB2 1 96 ASN HD22 . . 5.080 3.848 3.848 3.848 . 0 0 "[ ]" 1
26 1 22 GLU HA 1 23 VAL H . . 3.210 2.204 2.204 2.204 . 0 0 "[ ]" 1
27 1 23 VAL H 1 102 LEU MD2 . . 4.090 3.811 3.811 3.811 . 0 0 "[ ]" 1
28 1 80 GLU H 1 80 GLU HG3 . . 4.720 3.990 3.990 3.990 . 0 0 "[ ]" 1
29 1 41 ARG H 1 49 GLY H . . 4.780 4.607 4.607 4.607 . 0 0 "[ ]" 1
30 1 48 ILE HB 1 49 GLY H . . 4.630 1.924 1.924 1.924 . 0 0 "[ ]" 1
31 1 93 SER HA 1 94 GLU H . . 3.090 2.230 2.230 2.230 . 0 0 "[ ]" 1
32 1 68 ARG H 1 69 GLU H . . 4.990 4.355 4.355 4.355 . 0 0 "[ ]" 1
33 1 68 ARG H 1 68 ARG HB3 . . 3.720 3.719 3.719 3.719 . 0 0 "[ ]" 1
34 1 52 ILE MD 1 68 ARG H . . 4.400 4.387 4.387 4.387 . 0 0 "[ ]" 1
35 1 77 ASN H 1 101 LEU HA . . 4.590 2.716 2.716 2.716 . 0 0 "[ ]" 1
36 1 76 ILE HA 1 77 ASN H . . 3.320 2.199 2.199 2.199 . 0 0 "[ ]" 1
37 1 76 ILE HB 1 77 ASN H . . 4.890 4.538 4.538 4.538 . 0 0 "[ ]" 1
38 1 112 GLU HA 1 113 GLY H . . 3.450 2.433 2.433 2.433 . 0 0 "[ ]" 1
39 1 112 GLU HB2 1 113 GLY H . . 4.860 4.732 4.732 4.732 . 0 0 "[ ]" 1
40 1 74 ILE H 1 103 ILE HA . . 4.200 3.561 3.561 3.561 . 0 0 "[ ]" 1
41 1 73 ILE HG13 1 74 ILE H . . 4.210 3.833 3.833 3.833 . 0 0 "[ ]" 1
42 1 24 ASP H 1 66 ARG HH12 . . 4.790 4.252 4.252 4.252 . 0 0 "[ ]" 1
43 1 22 GLU H 1 23 VAL H . . 4.860 4.443 4.443 4.443 . 0 0 "[ ]" 1
44 1 21 GLU H 1 22 GLU H . . 4.920 3.881 3.881 3.881 . 0 0 "[ ]" 1
45 1 21 GLU HA 1 22 GLU H . . 2.980 2.208 2.208 2.208 . 0 0 "[ ]" 1
46 1 22 GLU H 1 102 LEU MD2 . . 4.490 2.942 2.942 2.942 . 0 0 "[ ]" 1
47 1 74 ILE H 1 102 LEU H . . 4.690 3.526 3.526 3.526 . 0 0 "[ ]" 1
48 1 101 LEU HA 1 102 LEU H . . 3.160 2.384 2.384 2.384 . 0 0 "[ ]" 1
49 1 76 ILE HA 1 102 LEU H . . 4.680 3.441 3.441 3.441 . 0 0 "[ ]" 1
50 1 101 LEU HB2 1 102 LEU H . . 4.380 3.707 3.707 3.707 . 0 0 "[ ]" 1
51 1 102 LEU H 1 102 LEU HB3 . . 3.710 3.316 3.316 3.316 . 0 0 "[ ]" 1
52 1 101 LEU HB3 1 102 LEU H . . 3.720 2.693 2.693 2.693 . 0 0 "[ ]" 1
53 1 101 LEU MD1 1 102 LEU H . . 3.980 3.786 3.786 3.786 . 0 0 "[ ]" 1
54 1 53 SER H 1 54 GLU QB . . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 1
55 1 39 CYS H 1 53 SER H . . 4.690 3.761 3.761 3.761 . 0 0 "[ ]" 1
56 1 107 GLU QG 1 108 LEU H . . 4.560 1.984 1.984 1.984 . 0 0 "[ ]" 1
57 1 107 GLU HB2 1 108 LEU H . . 4.160 4.148 4.148 4.148 . 0 0 "[ ]" 1
58 1 108 LEU H 1 108 LEU HG . . 3.280 3.255 3.255 3.255 . 0 0 "[ ]" 1
59 1 110 LEU H 1 110 LEU HG . . 3.330 2.871 2.871 2.871 . 0 0 "[ ]" 1
60 1 110 LEU H 1 110 LEU MD2 . . 4.800 4.092 4.092 4.092 . 0 0 "[ ]" 1
61 1 20 LEU H 1 20 LEU MD1 . . 4.240 3.907 3.907 3.907 . 0 0 "[ ]" 1
62 1 19 GLU HB2 1 20 LEU H . . 4.410 4.129 4.129 4.129 . 0 0 "[ ]" 1
63 1 23 VAL H 1 103 ILE H . . 5.150 4.951 4.951 4.951 . 0 0 "[ ]" 1
64 1 102 LEU HA 1 103 ILE H . . 3.290 2.341 2.341 2.341 . 0 0 "[ ]" 1
65 1 19 GLU HB3 1 20 LEU H . . 4.460 2.873 2.873 2.873 . 0 0 "[ ]" 1
66 1 102 LEU HB3 1 103 ILE H . . 4.740 3.077 3.077 3.077 . 0 0 "[ ]" 1
67 1 27 ARG H 1 98 ASN HA . . 4.530 4.224 4.224 4.224 . 0 0 "[ ]" 1
68 1 27 ARG H 1 97 LYS HA . . 4.520 3.954 3.954 3.954 . 0 0 "[ ]" 1
69 1 27 ARG H 1 27 ARG HB2 . . 3.860 2.631 2.631 2.631 . 0 0 "[ ]" 1
70 1 27 ARG H 1 97 LYS QD . . 3.640 2.487 2.487 2.487 . 0 0 "[ ]" 1
71 1 27 ARG H 1 97 LYS HG2 . . 4.320 3.125 3.125 3.125 . 0 0 "[ ]" 1
72 1 51 TYR HA 1 73 ILE H . . 4.150 2.691 2.691 2.691 . 0 0 "[ ]" 1
73 1 72 ARG HA 1 73 ILE H . . 3.430 2.229 2.229 2.229 . 0 0 "[ ]" 1
74 1 72 ARG HB2 1 73 ILE H . . 4.290 4.527 4.527 4.527 0.237 1 0 "[ ]" 1
75 1 72 ARG HG3 1 73 ILE H . . 4.200 3.713 3.713 3.713 . 0 0 "[ ]" 1
76 1 73 ILE H 1 73 ILE HG13 . . 4.300 3.684 3.684 3.684 . 0 0 "[ ]" 1
77 1 34 LEU H 1 35 GLY H . . 3.880 2.780 2.780 2.780 . 0 0 "[ ]" 1
78 1 33 LYS HA 1 34 LEU H . . 3.180 2.291 2.291 2.291 . 0 0 "[ ]" 1
79 1 34 LEU H 1 34 LEU HG . . 4.090 3.527 3.527 3.527 . 0 0 "[ ]" 1
80 1 39 CYS H 1 51 TYR H . . 3.960 2.851 2.851 2.851 . 0 0 "[ ]" 1
81 1 50 ILE H 1 51 TYR H . . 5.020 4.565 4.565 4.565 . 0 0 "[ ]" 1
82 1 40 TYR HA 1 51 TYR H . . 4.770 3.854 3.854 3.854 . 0 0 "[ ]" 1
83 1 50 ILE HA 1 51 TYR H . . 3.250 2.209 2.209 2.209 . 0 0 "[ ]" 1
84 1 92 THR H 1 92 THR HG1 . . 4.690 3.638 3.638 3.638 . 0 0 "[ ]" 1
85 1 92 THR H 1 93 SER HB2 . . 4.560 4.188 4.188 4.188 . 0 0 "[ ]" 1
86 1 91 LEU HB2 1 92 THR H . . 4.270 3.421 3.421 3.421 . 0 0 "[ ]" 1
87 1 91 LEU HB3 1 92 THR H . . 4.560 4.087 4.087 4.087 . 0 0 "[ ]" 1
88 1 91 LEU MD2 1 92 THR H . . 4.700 4.030 4.030 4.030 . 0 0 "[ ]" 1
89 1 18 LEU HA 1 19 GLU H . . 3.030 2.523 2.523 2.523 . 0 0 "[ ]" 1
90 1 19 GLU H 1 107 GLU QG . . 4.360 6.819 6.819 6.819 2.459 1 1 [+] 1
91 1 18 LEU QB 1 19 GLU H . . 3.810 2.346 2.346 2.346 . 0 0 "[ ]" 1
92 1 87 ALA MB 1 89 ALA H . . 4.650 4.714 4.714 4.714 0.064 1 0 "[ ]" 1
93 1 72 ARG H 1 104 ALA H . . 4.180 2.865 2.865 2.865 . 0 0 "[ ]" 1
94 1 73 ILE HA 1 104 ALA H . . 4.660 4.429 4.429 4.429 . 0 0 "[ ]" 1
95 1 72 ARG HB2 1 104 ALA H . . 4.490 4.317 4.317 4.317 . 0 0 "[ ]" 1
96 1 28 MET H 1 32 ASP QB . . 4.810 4.493 4.493 4.493 . 0 0 "[ ]" 1
97 1 28 MET H 1 28 MET HG3 . . 4.090 3.036 3.036 3.036 . 0 0 "[ ]" 1
98 1 28 MET H 1 28 MET QB . . 3.330 2.188 2.188 2.188 . 0 0 "[ ]" 1
99 1 27 ARG HB3 1 28 MET H . . 4.260 4.387 4.387 4.387 0.127 1 0 "[ ]" 1
100 1 28 MET H 1 60 ILE MD . . 4.420 4.028 4.028 4.028 . 0 0 "[ ]" 1
101 1 54 GLU HA 1 55 ILE H . . 2.920 2.370 2.370 2.370 . 0 0 "[ ]" 1
102 1 55 ILE H 1 55 ILE MG . . 3.870 2.593 2.593 2.593 . 0 0 "[ ]" 1
103 1 41 ARG H 1 48 ILE HG12 . . 4.610 4.790 4.790 4.790 0.180 1 0 "[ ]" 1
104 1 108 LEU HA 1 109 GLN H . . 2.740 3.633 3.633 3.633 0.893 1 1 [+] 1
105 1 108 LEU HB3 1 109 GLN H . . 3.830 2.566 2.566 2.566 . 0 0 "[ ]" 1
106 1 62 ALA H 1 63 LYS H . . 3.760 3.003 3.003 3.003 . 0 0 "[ ]" 1
107 1 61 ALA H 1 62 ALA H . . 3.800 2.868 2.868 2.868 . 0 0 "[ ]" 1
108 1 59 SER HG 1 62 ALA H . . 4.240 2.172 2.172 2.172 . 0 0 "[ ]" 1
109 1 59 SER HB3 1 62 ALA H . . 4.830 4.176 4.176 4.176 . 0 0 "[ ]" 1
110 1 10 HIS H 1 10 HIS HB3 . . 3.970 3.880 3.880 3.880 . 0 0 "[ ]" 1
111 1 9 ILE HB 1 10 HIS H . . 4.780 4.274 4.274 4.274 . 0 0 "[ ]" 1
112 1 18 LEU H 1 19 GLU H . . 4.380 4.620 4.620 4.620 0.240 1 0 "[ ]" 1
113 1 17 GLU H 1 18 LEU H . . 3.740 1.805 1.805 1.805 . 0 0 "[ ]" 1
114 1 17 GLU HG3 1 18 LEU H . . 4.470 3.260 3.260 3.260 . 0 0 "[ ]" 1
115 1 18 LEU H 1 18 LEU QB . . 3.060 2.228 2.228 2.228 . 0 0 "[ ]" 1
116 1 18 LEU H 1 18 LEU QD . . 3.980 3.246 3.246 3.246 . 0 0 "[ ]" 1
117 1 114 TRP HA 1 115 MET H . . 3.230 2.538 2.538 2.538 . 0 0 "[ ]" 1
118 1 114 TRP QB 1 115 MET H . . 4.280 4.019 4.019 4.019 . 0 0 "[ ]" 1
119 1 115 MET H 1 115 MET HG3 . . 4.420 4.383 4.383 4.383 . 0 0 "[ ]" 1
120 1 115 MET H 1 115 MET HB3 . . 3.890 2.742 2.742 2.742 . 0 0 "[ ]" 1
121 1 11 GLN HA 1 12 GLU H . . 3.110 2.387 2.387 2.387 . 0 0 "[ ]" 1
122 1 12 GLU H 1 12 GLU QG . . 4.140 4.010 4.010 4.010 . 0 0 "[ ]" 1
123 1 12 GLU H 1 12 GLU HB3 . . 3.770 3.664 3.664 3.664 . 0 0 "[ ]" 1
124 1 12 GLU H 1 12 GLU HB2 . . 3.500 3.010 3.010 3.010 . 0 0 "[ ]" 1
125 1 78 GLY H 1 79 ILE H . . 3.860 1.956 1.956 1.956 . 0 0 "[ ]" 1
126 1 79 ILE H 1 80 GLU H . . 4.760 4.532 4.532 4.532 . 0 0 "[ ]" 1
127 1 76 ILE H 1 79 ILE H . . 3.830 2.228 2.228 2.228 . 0 0 "[ ]" 1
128 1 75 GLN HA 1 79 ILE H . . 4.810 4.045 4.045 4.045 . 0 0 "[ ]" 1
129 1 75 GLN HB2 1 79 ILE H . . 4.990 4.115 4.115 4.115 . 0 0 "[ ]" 1
130 1 75 GLN HB3 1 79 ILE H . . 4.260 2.533 2.533 2.533 . 0 0 "[ ]" 1
131 1 79 ILE H 1 79 ILE MG . . 3.720 3.687 3.687 3.687 . 0 0 "[ ]" 1
132 1 21 GLU H 1 103 ILE H . . 4.000 2.472 2.472 2.472 . 0 0 "[ ]" 1
133 1 21 GLU H 1 104 ALA HA . . 4.380 4.305 4.305 4.305 . 0 0 "[ ]" 1
134 1 21 GLU H 1 102 LEU HA . . 4.960 3.929 3.929 3.929 . 0 0 "[ ]" 1
135 1 20 LEU HB3 1 21 GLU H . . 3.910 2.326 2.326 2.326 . 0 0 "[ ]" 1
136 1 11 GLN H 1 12 GLU H . . 3.990 3.026 3.026 3.026 . 0 0 "[ ]" 1
137 1 10 HIS HA 1 11 GLN H . . 3.620 2.221 2.221 2.221 . 0 0 "[ ]" 1
138 1 11 GLN H 1 11 GLN QG . . 4.430 4.312 4.312 4.312 . 0 0 "[ ]" 1
139 1 11 GLN H 1 12 GLU HB2 . . 3.900 3.173 3.173 3.173 . 0 0 "[ ]" 1
140 1 48 ILE H 1 49 GLY H . . 3.820 3.759 3.759 3.759 . 0 0 "[ ]" 1
141 1 47 ASP H 1 48 ILE H . . 4.460 3.935 3.935 3.935 . 0 0 "[ ]" 1
142 1 47 ASP HA 1 48 ILE H . . 3.130 2.268 2.268 2.268 . 0 0 "[ ]" 1
143 1 47 ASP HB3 1 48 ILE H . . 4.580 4.124 4.124 4.124 . 0 0 "[ ]" 1
144 1 48 ILE H 1 48 ILE MD . . 3.750 2.208 2.208 2.208 . 0 0 "[ ]" 1
145 1 24 ASP H 1 25 LEU H . . 4.950 4.588 4.588 4.588 . 0 0 "[ ]" 1
146 1 105 ARG H 1 105 ARG QG . . 3.670 3.673 3.673 3.673 0.003 1 0 "[ ]" 1
147 1 19 GLU H 1 107 GLU H . . 4.530 4.529 4.529 4.529 . 0 0 "[ ]" 1
148 1 106 PRO HA 1 107 GLU H . . 2.990 2.272 2.272 2.272 . 0 0 "[ ]" 1
149 1 107 GLU H 1 107 GLU HB2 . . 3.180 2.756 2.756 2.756 . 0 0 "[ ]" 1
150 1 71 ASP H 1 71 ASP HB2 . . 4.100 2.219 2.219 2.219 . 0 0 "[ ]" 1
151 1 25 LEU H 1 99 PHE HB2 . . 4.690 3.679 3.679 3.679 . 0 0 "[ ]" 1
152 1 24 ASP QB 1 25 LEU H . . 3.920 2.825 2.825 2.825 . 0 0 "[ ]" 1
153 1 33 LYS H 1 34 LEU H . . 5.110 4.496 4.496 4.496 . 0 0 "[ ]" 1
154 1 112 GLU H 1 112 GLU HB3 . . 3.730 3.090 3.090 3.090 . 0 0 "[ ]" 1
155 1 111 ASP HA 1 112 GLU H . . 3.200 2.288 2.288 2.288 . 0 0 "[ ]" 1
156 1 112 GLU H 1 112 GLU HB2 . . 4.150 3.173 3.173 3.173 . 0 0 "[ ]" 1
157 1 81 VAL H 1 82 GLN H . . 4.830 4.648 4.648 4.648 . 0 0 "[ ]" 1
158 1 80 GLU H 1 81 VAL H . . 4.780 4.250 4.250 4.250 . 0 0 "[ ]" 1
159 1 75 GLN HA 1 81 VAL H . . 3.910 2.872 2.872 2.872 . 0 0 "[ ]" 1
160 1 80 GLU HA 1 81 VAL H . . 3.070 2.229 2.229 2.229 . 0 0 "[ ]" 1
161 1 75 GLN HG3 1 81 VAL H . . 4.340 4.243 4.243 4.243 . 0 0 "[ ]" 1
162 1 76 ILE HB 1 81 VAL H . . 5.210 5.198 5.198 5.198 . 0 0 "[ ]" 1
163 1 76 ILE H 1 81 VAL H . . 4.650 4.122 4.122 4.122 . 0 0 "[ ]" 1
164 1 33 LYS H 1 59 SER HA . . 4.840 4.775 4.775 4.775 . 0 0 "[ ]" 1
165 1 32 ASP H 1 33 LYS H . . 4.640 4.586 4.586 4.586 . 0 0 "[ ]" 1
166 1 32 ASP HA 1 33 LYS H . . 2.910 2.309 2.309 2.309 . 0 0 "[ ]" 1
167 1 32 ASP QB 1 33 LYS H . . 3.870 3.017 3.017 3.017 . 0 0 "[ ]" 1
168 1 33 LYS H 1 33 LYS HB2 . . 4.020 3.707 3.707 3.707 . 0 0 "[ ]" 1
169 1 33 LYS H 1 33 LYS HB3 . . 3.530 3.129 3.129 3.129 . 0 0 "[ ]" 1
170 1 33 LYS H 1 33 LYS QG . . 3.650 1.910 1.910 1.910 . 0 0 "[ ]" 1
171 1 110 LEU HA 1 111 ASP H . . 3.460 2.468 2.468 2.468 . 0 0 "[ ]" 1
172 1 110 LEU HB3 1 111 ASP H . . 4.800 2.555 2.555 2.555 . 0 0 "[ ]" 1
173 1 26 TYR H 1 27 ARG H . . 4.810 4.345 4.345 4.345 . 0 0 "[ ]" 1
174 1 25 LEU H 1 26 TYR H . . 4.790 4.411 4.411 4.411 . 0 0 "[ ]" 1
175 1 26 TYR H 1 26 TYR QD . . 4.220 4.158 4.158 4.158 . 0 0 "[ ]" 1
176 1 25 LEU HA 1 26 TYR H . . 3.260 2.632 2.632 2.632 . 0 0 "[ ]" 1
177 1 25 LEU HB2 1 26 TYR H . . 4.430 3.163 3.163 3.163 . 0 0 "[ ]" 1
178 1 25 LEU HG 1 26 TYR H . . 4.970 4.871 4.871 4.871 . 0 0 "[ ]" 1
179 1 25 LEU HB3 1 26 TYR H . . 4.130 2.269 2.269 2.269 . 0 0 "[ ]" 1
180 1 17 GLU H 1 17 GLU HB2 . . 4.180 4.104 4.104 4.104 . 0 0 "[ ]" 1
181 1 17 GLU H 1 17 GLU HB3 . . 3.400 3.499 3.499 3.499 0.099 1 0 "[ ]" 1
182 1 17 GLU H 1 18 LEU QB . . 4.640 3.604 3.604 3.604 . 0 0 "[ ]" 1
183 1 44 ASP HA 1 45 GLU H . . 3.170 2.275 2.275 2.275 . 0 0 "[ ]" 1
184 1 44 ASP HB2 1 45 GLU H . . 4.340 4.380 4.380 4.380 0.040 1 0 "[ ]" 1
185 1 44 ASP HB3 1 45 GLU H . . 4.430 4.116 4.116 4.116 . 0 0 "[ ]" 1
186 1 45 GLU H 1 45 GLU QG . . 3.900 2.725 2.725 2.725 . 0 0 "[ ]" 1
187 1 45 GLU H 1 45 GLU HB2 . . 4.010 2.285 2.285 2.285 . 0 0 "[ ]" 1
188 1 45 GLU H 1 45 GLU HB3 . . 3.580 3.538 3.538 3.538 . 0 0 "[ ]" 1
189 1 42 THR MG 1 43 ASP H . . 4.930 1.956 1.956 1.956 . 0 0 "[ ]" 1
190 1 51 TYR HA 1 72 ARG H . . 4.830 4.618 4.618 4.618 . 0 0 "[ ]" 1
191 1 71 ASP HA 1 72 ARG H . . 3.480 2.266 2.266 2.266 . 0 0 "[ ]" 1
192 1 71 ASP HB2 1 72 ARG H . . 4.510 4.531 4.531 4.531 0.021 1 0 "[ ]" 1
193 1 72 ARG H 1 72 ARG HB3 . . 3.920 2.524 2.524 2.524 . 0 0 "[ ]" 1
194 1 72 ARG H 1 104 ALA MB . . 4.480 3.235 3.235 3.235 . 0 0 "[ ]" 1
195 1 84 ARG H 1 84 ARG HG2 . . 4.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
196 1 84 ARG H 1 84 ARG HB3 . . 3.780 2.273 2.273 2.273 . 0 0 "[ ]" 1
197 1 50 ILE MD 1 84 ARG H . . 4.530 3.425 3.425 3.425 . 0 0 "[ ]" 1
198 1 26 TYR HA 1 99 PHE H . . 4.390 3.708 3.708 3.708 . 0 0 "[ ]" 1
199 1 98 ASN HA 1 99 PHE H . . 3.100 2.281 2.281 2.281 . 0 0 "[ ]" 1
200 1 99 PHE H 1 99 PHE HB3 . . 3.920 3.444 3.444 3.444 . 0 0 "[ ]" 1
201 1 86 GLU H 1 86 GLU HG2 . . 4.240 4.362 4.362 4.362 0.122 1 0 "[ ]" 1
202 1 85 GLU HB2 1 86 GLU H . . 3.860 2.439 2.439 2.439 . 0 0 "[ ]" 1
203 1 85 GLU HB3 1 86 GLU H . . 4.260 3.363 3.363 3.363 . 0 0 "[ ]" 1
204 1 13 MET H 1 13 MET HG3 . . 4.230 3.638 3.638 3.638 . 0 0 "[ ]" 1
205 1 12 GLU QG 1 13 MET H . . 5.080 3.152 3.152 3.152 . 0 0 "[ ]" 1
206 1 13 MET H 1 13 MET HB3 . . 3.520 3.534 3.534 3.534 0.014 1 0 "[ ]" 1
207 1 14 ASP HB3 1 15 ARG H . . 4.310 2.527 2.527 2.527 . 0 0 "[ ]" 1
208 1 14 ASP HB2 1 15 ARG H . . 4.450 3.874 3.874 3.874 . 0 0 "[ ]" 1
209 1 14 ASP HA 1 15 ARG H . . 2.960 2.656 2.656 2.656 . 0 0 "[ ]" 1
210 1 15 ARG H 1 15 ARG HB3 . . 3.490 3.511 3.511 3.511 0.021 1 0 "[ ]" 1
211 1 15 ARG H 1 15 ARG QG . . 3.630 2.621 2.621 2.621 . 0 0 "[ ]" 1
212 1 69 GLU H 1 70 GLY H . . 4.910 4.513 4.513 4.513 . 0 0 "[ ]" 1
213 1 68 ARG HA 1 69 GLU H . . 3.150 2.767 2.767 2.767 . 0 0 "[ ]" 1
214 1 69 GLU H 1 69 GLU HB2 . . 3.370 2.485 2.485 2.485 . 0 0 "[ ]" 1
215 1 68 ARG HB2 1 69 GLU H . . 3.630 3.455 3.455 3.455 . 0 0 "[ ]" 1
216 1 55 ILE HB 1 69 GLU H . . 4.020 3.484 3.484 3.484 . 0 0 "[ ]" 1
217 1 55 ILE HG13 1 69 GLU H . . 5.160 4.356 4.356 4.356 . 0 0 "[ ]" 1
218 1 52 ILE MD 1 69 GLU H . . 4.680 6.164 6.164 6.164 1.484 1 1 [+] 1
219 1 50 ILE H 1 72 ARG HE . . 4.750 4.554 4.554 4.554 . 0 0 "[ ]" 1
220 1 49 GLY HA2 1 50 ILE H . . 3.510 2.199 2.199 2.199 . 0 0 "[ ]" 1
221 1 50 ILE H 1 72 ARG HG3 . . 4.520 4.251 4.251 4.251 . 0 0 "[ ]" 1
222 1 37 THR H 1 54 GLU QB . . 4.610 3.180 3.180 3.180 . 0 0 "[ ]" 1
223 1 37 THR H 1 37 THR MG . . 4.380 3.489 3.489 3.489 . 0 0 "[ ]" 1
224 1 36 LEU HB3 1 37 THR H . . 4.440 4.259 4.259 4.259 . 0 0 "[ ]" 1
225 1 113 GLY H 1 114 TRP H . . 3.890 3.197 3.197 3.197 . 0 0 "[ ]" 1
226 1 113 GLY HA3 1 114 TRP H . . 3.460 2.257 2.257 2.257 . 0 0 "[ ]" 1
227 1 114 TRP H 1 114 TRP QB . . 3.330 3.060 3.060 3.060 . 0 0 "[ ]" 1
228 1 9 ILE H 1 10 HIS H . . 4.060 3.926 3.926 3.926 . 0 0 "[ ]" 1
229 1 8 ASP HA 1 9 ILE H . . 3.210 2.261 2.261 2.261 . 0 0 "[ ]" 1
230 1 8 ASP HB2 1 9 ILE H . . 4.930 4.613 4.613 4.613 . 0 0 "[ ]" 1
231 1 8 ASP HB3 1 9 ILE H . . 4.860 4.277 4.277 4.277 . 0 0 "[ ]" 1
232 1 9 ILE H 1 9 ILE HB . . 3.590 3.556 3.556 3.556 . 0 0 "[ ]" 1
233 1 9 ILE H 1 9 ILE HG12 . . 4.250 2.272 2.272 2.272 . 0 0 "[ ]" 1
234 1 9 ILE H 1 9 ILE HG13 . . 3.940 2.378 2.378 2.378 . 0 0 "[ ]" 1
235 1 9 ILE H 1 9 ILE MD . . 3.980 3.749 3.749 3.749 . 0 0 "[ ]" 1
236 1 46 ASP H 1 47 ASP H . . 3.760 2.564 2.564 2.564 . 0 0 "[ ]" 1
237 1 52 ILE H 1 71 ASP H . . 4.860 2.435 2.435 2.435 . 0 0 "[ ]" 1
238 1 52 ILE H 1 70 GLY H . . 4.960 3.288 3.288 3.288 . 0 0 "[ ]" 1
239 1 51 TYR H 1 52 ILE H . . 4.770 4.470 4.470 4.470 . 0 0 "[ ]" 1
240 1 52 ILE H 1 72 ARG HA . . 4.420 3.839 3.839 3.839 . 0 0 "[ ]" 1
241 1 52 ILE H 1 69 GLU HA . . 4.950 4.898 4.898 4.898 . 0 0 "[ ]" 1
242 1 38 VAL QG 1 52 ILE H . . 4.720 4.915 4.915 4.915 0.195 1 0 "[ ]" 1
243 1 66 ARG HB2 1 66 ARG HE . . 4.220 3.109 3.109 3.109 . 0 0 "[ ]" 1
244 1 87 ALA H 1 88 VAL H . . 3.640 2.767 2.767 2.767 . 0 0 "[ ]" 1
245 1 86 GLU H 1 87 ALA H . . 3.530 2.846 2.846 2.846 . 0 0 "[ ]" 1
246 1 87 ALA H 1 89 ALA H . . 4.780 4.242 4.242 4.242 . 0 0 "[ ]" 1
247 1 83 ASN H 1 87 ALA H . . 4.640 3.972 3.972 3.972 . 0 0 "[ ]" 1
248 1 81 VAL HB 1 87 ALA H . . 4.640 3.954 3.954 3.954 . 0 0 "[ ]" 1
249 1 81 VAL MG1 1 87 ALA H . . 4.130 3.388 3.388 3.388 . 0 0 "[ ]" 1
250 1 39 CYS HB2 1 40 TYR H . . 4.150 4.018 4.018 4.018 . 0 0 "[ ]" 1
251 1 40 TYR H 1 40 TYR HB3 . . 3.820 3.107 3.107 3.107 . 0 0 "[ ]" 1
252 1 77 ASN H 1 78 GLY H . . 4.010 2.570 2.570 2.570 . 0 0 "[ ]" 1
253 1 76 ILE H 1 78 GLY H . . 5.050 3.057 3.057 3.057 . 0 0 "[ ]" 1
254 1 75 GLN HB2 1 78 GLY H . . 5.020 3.645 3.645 3.645 . 0 0 "[ ]" 1
255 1 75 GLN HB3 1 78 GLY H . . 4.410 2.788 2.788 2.788 . 0 0 "[ ]" 1
256 1 76 ILE MG 1 78 GLY H . . 4.920 4.376 4.376 4.376 . 0 0 "[ ]" 1
257 1 40 TYR H 1 41 ARG H . . 4.650 4.551 4.551 4.551 . 0 0 "[ ]" 1
258 1 64 ASP HB2 1 65 GLY H . . 4.420 2.679 2.679 2.679 . 0 0 "[ ]" 1
259 1 84 ARG H 1 85 GLU H . . 3.800 2.856 2.856 2.856 . 0 0 "[ ]" 1
260 1 85 GLU H 1 86 GLU H . . 3.640 3.054 3.054 3.054 . 0 0 "[ ]" 1
261 1 83 ASN HB3 1 85 GLU H . . 4.470 3.836 3.836 3.836 . 0 0 "[ ]" 1
262 1 84 ARG HB2 1 85 GLU H . . 3.950 3.822 3.822 3.822 . 0 0 "[ ]" 1
263 1 84 ARG HG2 1 85 GLU H . . 4.580 2.986 2.986 2.986 . 0 0 "[ ]" 1
264 1 84 ARG HG3 1 85 GLU H . . 4.260 3.707 3.707 3.707 . 0 0 "[ ]" 1
265 1 67 ILE H 1 67 ILE HG12 . . 3.610 3.329 3.329 3.329 . 0 0 "[ ]" 1
266 1 67 ILE H 1 67 ILE MD . . 3.910 3.313 3.313 3.313 . 0 0 "[ ]" 1
267 1 23 VAL MG2 1 67 ILE H . . 4.540 3.590 3.590 3.590 . 0 0 "[ ]" 1
268 1 66 ARG HB3 1 67 ILE H . . 4.540 3.942 3.942 3.942 . 0 0 "[ ]" 1
269 1 59 SER HA 1 61 ALA H . . 5.240 4.641 4.641 4.641 . 0 0 "[ ]" 1
270 1 59 SER HB2 1 61 ALA H . . 3.800 3.493 3.493 3.493 . 0 0 "[ ]" 1
271 1 60 ILE QG 1 61 ALA H . . 4.530 3.939 3.939 3.939 . 0 0 "[ ]" 1
272 1 25 LEU MD2 1 61 ALA H . . 4.870 3.994 3.994 3.994 . 0 0 "[ ]" 1
273 1 64 ASP H 1 65 GLY H . . 3.760 2.551 2.551 2.551 . 0 0 "[ ]" 1
274 1 64 ASP HB3 1 65 GLY H . . 4.110 1.998 1.998 1.998 . 0 0 "[ ]" 1
275 1 64 ASP HB3 1 66 ARG H . . 4.880 4.755 4.755 4.755 . 0 0 "[ ]" 1
276 1 66 ARG H 1 66 ARG HE . . 4.500 2.095 2.095 2.095 . 0 0 "[ ]" 1
277 1 66 ARG H 1 67 ILE H . . 3.590 2.745 2.745 2.745 . 0 0 "[ ]" 1
278 1 65 GLY H 1 66 ARG H . . 4.110 4.249 4.249 4.249 0.139 1 0 "[ ]" 1
279 1 66 ARG H 1 66 ARG HB3 . . 3.760 3.511 3.511 3.511 . 0 0 "[ ]" 1
280 1 66 ARG H 1 66 ARG HB2 . . 3.630 2.273 2.273 2.273 . 0 0 "[ ]" 1
281 1 23 VAL MG1 1 66 ARG H . . 4.400 2.046 2.046 2.046 . 0 0 "[ ]" 1
282 1 23 VAL MG2 1 66 ARG H . . 4.980 3.057 3.057 3.057 . 0 0 "[ ]" 1
283 1 75 GLN HG2 1 76 ILE H . . 4.550 4.028 4.028 4.028 . 0 0 "[ ]" 1
284 1 75 GLN HB2 1 76 ILE H . . 4.470 3.814 3.814 3.814 . 0 0 "[ ]" 1
285 1 76 ILE H 1 76 ILE HB . . 3.600 2.571 2.571 2.571 . 0 0 "[ ]" 1
286 1 76 ILE H 1 76 ILE HG12 . . 4.400 4.035 4.035 4.035 . 0 0 "[ ]" 1
287 1 76 ILE H 1 76 ILE MG . . 3.650 3.786 3.786 3.786 0.136 1 0 "[ ]" 1
288 1 37 THR HA 1 38 VAL H . . 3.130 2.343 2.343 2.343 . 0 0 "[ ]" 1
289 1 77 ASN H 1 100 SER H . . 4.180 3.562 3.562 3.562 . 0 0 "[ ]" 1
290 1 100 SER H 1 101 LEU H . . 4.950 4.006 4.006 4.006 . 0 0 "[ ]" 1
291 1 77 ASN HD21 1 100 SER H . . 5.310 2.578 2.578 2.578 . 0 0 "[ ]" 1
292 1 77 ASN HD22 1 100 SER H . . 4.710 2.533 2.533 2.533 . 0 0 "[ ]" 1
293 1 99 PHE HA 1 100 SER H . . 3.120 2.239 2.239 2.239 . 0 0 "[ ]" 1
294 1 77 ASN HA 1 100 SER H . . 4.410 2.628 2.628 2.628 . 0 0 "[ ]" 1
295 1 100 SER H 1 100 SER HB3 . . 3.890 3.427 3.427 3.427 . 0 0 "[ ]" 1
296 1 99 PHE HB3 1 100 SER H . . 4.290 3.974 3.974 3.974 . 0 0 "[ ]" 1
297 1 105 ARG HB2 1 105 ARG HE . . 4.550 4.480 4.480 4.480 . 0 0 "[ ]" 1
298 1 60 ILE H 1 61 ALA H . . 4.100 3.080 3.080 3.080 . 0 0 "[ ]" 1
299 1 59 SER HB2 1 60 ILE H . . 3.670 2.568 2.568 2.568 . 0 0 "[ ]" 1
300 1 60 ILE H 1 60 ILE MG . . 4.300 3.717 3.717 3.717 . 0 0 "[ ]" 1
301 1 33 LYS H 1 60 ILE H . . 4.760 4.028 4.028 4.028 . 0 0 "[ ]" 1
302 1 68 ARG HB3 1 68 ARG HE . . 4.780 4.188 4.188 4.188 . 0 0 "[ ]" 1
303 1 68 ARG HE 1 68 ARG QG . . 3.920 2.138 2.138 2.138 . 0 0 "[ ]" 1
304 1 39 CYS H 1 50 ILE HA . . 4.880 4.377 4.377 4.377 . 0 0 "[ ]" 1
305 1 43 ASP H 1 44 ASP H . . 4.290 2.726 2.726 2.726 . 0 0 "[ ]" 1
306 1 54 GLU H 1 54 GLU HG2 . . 4.310 4.169 4.169 4.169 . 0 0 "[ ]" 1
307 1 53 SER H 1 54 GLU H . . 3.360 2.348 2.348 2.348 . 0 0 "[ ]" 1
308 1 54 GLU H 1 55 ILE H . . 4.790 4.406 4.406 4.406 . 0 0 "[ ]" 1
309 1 37 THR H 1 54 GLU H . . 3.970 2.938 2.938 2.938 . 0 0 "[ ]" 1
310 1 52 ILE HA 1 54 GLU H . . 4.320 3.946 3.946 3.946 . 0 0 "[ ]" 1
311 1 62 ALA HA 1 64 ASP H . . 4.730 4.736 4.736 4.736 0.006 1 0 "[ ]" 1
312 1 63 LYS HB3 1 64 ASP H . . 4.900 3.601 3.601 3.601 . 0 0 "[ ]" 1
313 1 35 GLY H 1 36 LEU H . . 3.610 2.573 2.573 2.573 . 0 0 "[ ]" 1
314 1 36 LEU H 1 36 LEU HB2 . . 3.780 3.733 3.733 3.733 . 0 0 "[ ]" 1
315 1 34 LEU HB2 1 36 LEU H . . 4.290 3.059 3.059 3.059 . 0 0 "[ ]" 1
316 1 36 LEU H 1 36 LEU QD . . 4.010 3.002 3.002 3.002 . 0 0 "[ ]" 1
317 1 41 ARG HB2 1 41 ARG HE . . 4.990 4.448 4.448 4.448 . 0 0 "[ ]" 1
318 1 41 ARG HB3 1 41 ARG HE . . 5.100 4.410 4.410 4.410 . 0 0 "[ ]" 1
319 1 36 LEU H 1 36 LEU HG . . 3.740 1.993 1.993 1.993 . 0 0 "[ ]" 1
320 1 36 LEU H 1 36 LEU HB3 . . 4.130 3.477 3.477 3.477 . 0 0 "[ ]" 1
321 1 34 LEU QD 1 36 LEU H . . 4.880 4.457 4.457 4.457 . 0 0 "[ ]" 1
322 1 29 ASN HA 1 31 GLN H . . 5.100 3.673 3.673 3.673 . 0 0 "[ ]" 1
323 1 30 SER H 1 31 GLN H . . 4.500 2.848 2.848 2.848 . 0 0 "[ ]" 1
324 1 31 GLN H 1 32 ASP H . . 3.250 2.710 2.710 2.710 . 0 0 "[ ]" 1
325 1 30 SER HB2 1 31 GLN H . . 4.490 4.171 4.171 4.171 . 0 0 "[ ]" 1
326 1 29 ASN HB3 1 31 GLN H . . 4.420 2.367 2.367 2.367 . 0 0 "[ ]" 1
327 1 31 GLN H 1 31 GLN HB3 . . 3.490 2.909 2.909 2.909 . 0 0 "[ ]" 1
328 1 94 GLU H 1 95 GLU H . . 3.530 3.342 3.342 3.342 . 0 0 "[ ]" 1
329 1 95 GLU H 1 95 GLU HB2 . . 3.720 2.804 2.804 2.804 . 0 0 "[ ]" 1
330 1 46 ASP H 1 46 ASP HB3 . . 4.070 3.359 3.359 3.359 . 0 0 "[ ]" 1
331 1 63 LYS H 1 64 ASP H . . 4.250 2.785 2.785 2.785 . 0 0 "[ ]" 1
332 1 90 LEU H 1 91 LEU H . . 3.680 2.786 2.786 2.786 . 0 0 "[ ]" 1
333 1 89 ALA H 1 90 LEU H . . 3.740 2.943 2.943 2.943 . 0 0 "[ ]" 1
334 1 90 LEU H 1 90 LEU HB2 . . 3.520 1.981 1.981 1.981 . 0 0 "[ ]" 1
335 1 90 LEU H 1 90 LEU MD1 . . 3.730 3.592 3.592 3.592 . 0 0 "[ ]" 1
336 1 95 GLU H 1 96 ASN H . . 3.360 1.892 1.892 1.892 . 0 0 "[ ]" 1
337 1 93 SER HB2 1 96 ASN H . . 4.550 3.585 3.585 3.585 . 0 0 "[ ]" 1
338 1 95 GLU HB2 1 96 ASN H . . 4.350 2.850 2.850 2.850 . 0 0 "[ ]" 1
339 1 95 GLU HB3 1 96 ASN H . . 4.260 3.264 3.264 3.264 . 0 0 "[ ]" 1
340 1 27 ARG HE 1 99 PHE QD . . 4.460 5.779 5.779 5.779 1.319 1 1 [+] 1
341 1 27 ARG HB3 1 27 ARG HE . . 4.170 1.944 1.944 1.944 . 0 0 "[ ]" 1
342 1 33 LYS HA 1 35 GLY H . . 4.900 4.113 4.113 4.113 . 0 0 "[ ]" 1
343 1 93 SER H 1 94 GLU H . . 4.500 4.474 4.474 4.474 . 0 0 "[ ]" 1
344 1 91 LEU H 1 93 SER H . . 4.790 4.803 4.803 4.803 0.013 1 0 "[ ]" 1
345 1 92 THR H 1 93 SER H . . 3.280 2.998 2.998 2.998 . 0 0 "[ ]" 1
346 1 29 ASN H 1 30 SER H . . 5.050 4.052 4.052 4.052 . 0 0 "[ ]" 1
347 1 29 ASN H 1 31 GLN H . . 4.850 4.696 4.696 4.696 . 0 0 "[ ]" 1
348 1 29 ASN H 1 32 ASP H . . 5.020 3.864 3.864 3.864 . 0 0 "[ ]" 1
349 1 27 ARG HA 1 29 ASN H . . 4.250 3.151 3.151 3.151 . 0 0 "[ ]" 1
350 1 29 ASN H 1 29 ASN HB2 . . 3.940 2.764 2.764 2.764 . 0 0 "[ ]" 1
351 1 29 ASN H 1 29 ASN HB3 . . 3.730 3.720 3.720 3.720 . 0 0 "[ ]" 1
352 1 28 MET HG3 1 29 ASN H . . 5.110 5.166 5.166 5.166 0.056 1 0 "[ ]" 1
353 1 28 MET QB 1 29 ASN H . . 3.670 3.035 3.035 3.035 . 0 0 "[ ]" 1
354 1 27 ARG HB3 1 29 ASN H . . 4.320 3.866 3.866 3.866 . 0 0 "[ ]" 1
355 1 27 ARG HG2 1 29 ASN H . . 4.700 3.017 3.017 3.017 . 0 0 "[ ]" 1
356 1 98 ASN H 1 99 PHE H . . 4.740 4.296 4.296 4.296 . 0 0 "[ ]" 1
357 1 96 ASN HA 1 98 ASN H . . 4.220 4.211 4.211 4.211 . 0 0 "[ ]" 1
358 1 96 ASN HB3 1 98 ASN H . . 4.550 4.402 4.402 4.402 . 0 0 "[ ]" 1
359 1 97 LYS H 1 98 ASN H . . 3.400 2.415 2.415 2.415 . 0 0 "[ ]" 1
360 1 97 LYS HB3 1 98 ASN H . . 4.370 2.515 2.515 2.515 . 0 0 "[ ]" 1
361 1 97 LYS HB2 1 98 ASN H . . 3.880 3.341 3.341 3.341 . 0 0 "[ ]" 1
362 1 97 LYS HG2 1 98 ASN H . . 4.890 4.685 4.685 4.685 . 0 0 "[ ]" 1
363 1 91 LEU H 1 92 THR H . . 3.670 2.578 2.578 2.578 . 0 0 "[ ]" 1
364 1 91 LEU H 1 91 LEU HG . . 3.430 3.543 3.543 3.543 0.113 1 0 "[ ]" 1
365 1 91 LEU H 1 91 LEU HB2 . . 3.650 2.237 2.237 2.237 . 0 0 "[ ]" 1
366 1 91 LEU H 1 91 LEU HB3 . . 3.870 3.494 3.494 3.494 . 0 0 "[ ]" 1
367 1 76 ILE MD 1 91 LEU H . . 4.010 3.423 3.423 3.423 . 0 0 "[ ]" 1
368 1 74 ILE H 1 75 GLN H . . 3.450 2.150 2.150 2.150 . 0 0 "[ ]" 1
369 1 75 GLN H 1 102 LEU H . . 4.010 3.034 3.034 3.034 . 0 0 "[ ]" 1
370 1 75 GLN H 1 76 ILE H . . 4.870 4.419 4.419 4.419 . 0 0 "[ ]" 1
371 1 75 GLN H 1 102 LEU HA . . 4.810 4.547 4.547 4.547 . 0 0 "[ ]" 1
372 1 75 GLN H 1 75 GLN HG2 . . 4.840 4.476 4.476 4.476 . 0 0 "[ ]" 1
373 1 75 GLN H 1 102 LEU HB3 . . 3.300 2.537 2.537 2.537 . 0 0 "[ ]" 1
374 1 75 GLN H 1 76 ILE HG12 . . 5.040 5.078 5.078 5.078 0.038 1 0 "[ ]" 1
375 1 75 GLN H 1 102 LEU HB2 . . 4.060 2.028 2.028 2.028 . 0 0 "[ ]" 1
376 1 74 ILE QG 1 75 GLN H . . 4.280 4.062 4.062 4.062 . 0 0 "[ ]" 1
377 1 75 GLN H 1 75 GLN HG3 . . 4.870 3.292 3.292 3.292 . 0 0 "[ ]" 1
378 1 29 ASN H 1 29 ASN HD21 . . 4.960 4.800 4.800 4.800 . 0 0 "[ ]" 1
379 1 28 MET QB 1 29 ASN HD21 . . 4.740 4.227 4.227 4.227 . 0 0 "[ ]" 1
380 1 83 ASN HD22 1 86 GLU QB . . 4.580 3.308 3.308 3.308 . 0 0 "[ ]" 1
381 1 83 ASN HB2 1 83 ASN HD22 . . 4.090 3.520 3.520 3.520 . 0 0 "[ ]" 1
382 1 83 ASN HD22 1 86 GLU HG3 . . 5.140 5.096 5.096 5.096 . 0 0 "[ ]" 1
383 1 82 GLN HB2 1 83 ASN HD22 . . 5.020 2.728 2.728 2.728 . 0 0 "[ ]" 1
384 1 57 PRO HG3 1 58 ASN HD21 . . 4.970 5.274 5.274 5.274 0.304 1 0 "[ ]" 1
385 1 41 ARG H 1 42 THR H . . 4.640 1.899 1.899 1.899 . 0 0 "[ ]" 1
386 1 41 ARG HA 1 42 THR H . . 3.150 3.621 3.621 3.621 0.471 1 0 "[ ]" 1
387 1 42 THR H 1 42 THR HB . . 4.110 3.580 3.580 3.580 . 0 0 "[ ]" 1
388 1 41 ARG HB3 1 42 THR H . . 4.470 3.479 3.479 3.479 . 0 0 "[ ]" 1
389 1 42 THR H 1 48 ILE HG12 . . 4.670 3.741 3.741 3.741 . 0 0 "[ ]" 1
390 1 70 GLY H 1 71 ASP H . . 4.090 2.076 2.076 2.076 . 0 0 "[ ]" 1
391 1 56 ASP H 1 59 SER HB3 . . 5.200 4.093 4.093 4.093 . 0 0 "[ ]" 1
392 1 10 HIS HB3 1 11 GLN H . . 5.020 3.840 3.840 3.840 . 0 0 "[ ]" 1
393 1 12 GLU H 1 13 MET H . . 3.880 4.179 4.179 4.179 0.299 1 0 "[ ]" 1
394 1 15 ARG H 1 16 GLU H . . 3.690 4.661 4.661 4.661 0.971 1 1 [+] 1
395 1 20 LEU H 1 21 GLU H . . 4.870 4.494 4.494 4.494 . 0 0 "[ ]" 1
396 1 25 LEU H 1 101 LEU H . . 5.020 4.833 4.833 4.833 . 0 0 "[ ]" 1
397 1 36 LEU H 1 37 THR H . . 5.070 4.058 4.058 4.058 . 0 0 "[ ]" 1
398 1 37 THR H 1 38 VAL H . . 5.040 4.621 4.621 4.621 . 0 0 "[ ]" 1
399 1 38 VAL H 1 39 CYS H . . 5.040 4.475 4.475 4.475 . 0 0 "[ ]" 1
400 1 39 CYS H 1 40 TYR H . . 5.180 4.347 4.347 4.347 . 0 0 "[ ]" 1
401 1 45 GLU H 1 46 ASP H . . 3.600 2.328 2.328 2.328 . 0 0 "[ ]" 1
402 1 44 ASP H 1 45 GLU H . . 3.950 4.120 4.120 4.120 0.170 1 0 "[ ]" 1
403 1 37 THR H 1 53 SER H . . 5.020 4.437 4.437 4.437 . 0 0 "[ ]" 1
404 1 67 ILE H 1 68 ARG H . . 5.020 4.667 4.667 4.667 . 0 0 "[ ]" 1
405 1 85 GLU H 1 87 ALA H . . 4.930 4.315 4.315 4.315 . 0 0 "[ ]" 1
406 1 88 VAL H 1 89 ALA H . . 3.600 2.287 2.287 2.287 . 0 0 "[ ]" 1
407 1 108 LEU H 1 109 GLN H . . 3.920 3.893 3.893 3.893 . 0 0 "[ ]" 1
408 1 88 VAL HA 1 92 THR H . . 4.980 4.554 4.554 4.554 . 0 0 "[ ]" 1
409 1 77 ASN H 1 79 ILE H . . 5.330 4.047 4.047 4.047 . 0 0 "[ ]" 1
410 1 77 ASN HB3 1 79 ILE H . . 5.360 4.102 4.102 4.102 . 0 0 "[ ]" 1
411 1 115 MET HB2 1 116 ASP H . . 5.500 4.527 4.527 4.527 . 0 0 "[ ]" 1
412 1 99 PHE HB3 1 101 LEU H . . 5.380 4.174 4.174 4.174 . 0 0 "[ ]" 1
413 1 112 GLU HB3 1 113 GLY H . . 5.070 4.484 4.484 4.484 . 0 0 "[ ]" 1
414 1 112 GLU QG 1 113 GLY H . . 5.170 3.929 3.929 3.929 . 0 0 "[ ]" 1
415 1 111 ASP HB2 1 113 GLY H . . 5.500 4.526 4.526 4.526 . 0 0 "[ ]" 1
416 1 113 GLY H 1 114 TRP HA . . 5.070 4.952 4.952 4.952 . 0 0 "[ ]" 1
417 1 73 ILE H 1 74 ILE QG . . 5.350 5.266 5.266 5.266 . 0 0 "[ ]" 1
418 1 51 TYR QD 1 73 ILE H . . 5.370 4.444 4.444 4.444 . 0 0 "[ ]" 1
419 1 50 ILE H 1 73 ILE H . . 5.270 4.554 4.554 4.554 . 0 0 "[ ]" 1
420 1 52 ILE H 1 73 ILE H . . 5.190 4.434 4.434 4.434 . 0 0 "[ ]" 1
421 1 73 ILE H 1 74 ILE H . . 5.320 4.599 4.599 4.599 . 0 0 "[ ]" 1
422 1 34 LEU H 1 60 ILE MD . . 5.320 4.027 4.027 4.027 . 0 0 "[ ]" 1
423 1 27 ARG QD 1 34 LEU H . . 5.500 4.813 4.813 4.813 . 0 0 "[ ]" 1
424 1 34 LEU H 1 35 GLY HA3 . . 5.200 5.199 5.199 5.199 . 0 0 "[ ]" 1
425 1 34 LEU H 1 36 LEU H . . 5.340 4.589 4.589 4.589 . 0 0 "[ ]" 1
426 1 50 ILE HG13 1 51 TYR H . . 5.440 3.891 3.891 3.891 . 0 0 "[ ]" 1
427 1 50 ILE HG12 1 51 TYR H . . 5.260 5.040 5.040 5.040 . 0 0 "[ ]" 1
428 1 19 GLU H 1 104 ALA HA . . 5.370 4.312 4.312 4.312 . 0 0 "[ ]" 1
429 1 37 THR HB 1 55 ILE H . . 5.500 5.124 5.124 5.124 . 0 0 "[ ]" 1
430 1 82 GLN H 1 86 GLU H . . 5.500 5.500 5.500 5.500 . 0 0 "[ ]" 1
431 1 15 ARG H 1 15 ARG QD . . 5.070 4.333 4.333 4.333 . 0 0 "[ ]" 1
432 1 38 VAL H 1 88 VAL QG . . 5.060 3.301 3.301 3.301 . 0 0 "[ ]" 1
433 1 38 VAL H 1 53 SER H . . 5.500 4.038 4.038 4.038 . 0 0 "[ ]" 1
434 1 105 ARG HB3 1 105 ARG HE . . 4.940 4.419 4.419 4.419 . 0 0 "[ ]" 1
435 1 105 ARG HA 1 105 ARG HE . . 5.500 5.425 5.425 5.425 . 0 0 "[ ]" 1
436 1 44 ASP H 1 46 ASP H . . 5.500 5.137 5.137 5.137 . 0 0 "[ ]" 1
437 1 68 ARG H 1 71 ASP HB3 . . 5.360 3.997 3.997 3.997 . 0 0 "[ ]" 1
438 1 68 ARG H 1 71 ASP H . . 5.500 4.560 4.560 4.560 . 0 0 "[ ]" 1
439 1 48 ILE HG12 1 49 GLY H . . 5.030 4.321 4.321 4.321 . 0 0 "[ ]" 1
440 1 40 TYR QD 1 49 GLY H . . 5.500 4.982 4.982 4.982 . 0 0 "[ ]" 1
441 1 51 TYR H 1 51 TYR HB2 . . 3.900 2.544 2.544 2.544 . 0 0 "[ ]" 1
442 1 19 GLU H 1 20 LEU H . . 4.470 4.455 4.455 4.455 . 0 0 "[ ]" 1
443 1 54 GLU HG2 1 55 ILE H . . 3.630 3.752 3.752 3.752 0.122 1 0 "[ ]" 1
444 1 50 ILE H 1 51 TYR QD . . 5.260 4.760 4.760 4.760 . 0 0 "[ ]" 1
445 1 50 ILE H 1 51 TYR QE . . 5.180 4.731 4.731 4.731 . 0 0 "[ ]" 1
446 1 14 ASP H 1 15 ARG H . . 4.740 4.420 4.420 4.420 . 0 0 "[ ]" 1
447 1 17 GLU H 1 18 LEU QD . . 5.380 4.479 4.479 4.479 . 0 0 "[ ]" 1
448 1 112 GLU H 1 112 GLU QG . . 4.330 4.251 4.251 4.251 . 0 0 "[ ]" 1
449 1 16 GLU HA 1 17 GLU H . . 2.990 2.668 2.668 2.668 . 0 0 "[ ]" 1
450 1 86 GLU HG2 1 87 ALA H . . 5.270 5.130 5.130 5.130 . 0 0 "[ ]" 1
451 1 88 VAL H 1 90 LEU H . . 5.290 3.944 3.944 3.944 . 0 0 "[ ]" 1
452 1 27 ARG H 1 99 PHE QD . . 5.250 4.579 4.579 4.579 . 0 0 "[ ]" 1
453 1 41 ARG H 1 42 THR HA . . 5.250 3.983 3.983 3.983 . 0 0 "[ ]" 1
454 1 21 GLU H 1 105 ARG H . . 4.570 4.540 4.540 4.540 . 0 0 "[ ]" 1
455 1 104 ALA H 1 105 ARG H . . 5.060 4.368 4.368 4.368 . 0 0 "[ ]" 1
456 1 105 ARG H 1 106 PRO HD2 . . 5.330 5.028 5.028 5.028 . 0 0 "[ ]" 1
457 1 23 VAL H 1 24 ASP H . . 5.500 4.342 4.342 4.342 . 0 0 "[ ]" 1
458 1 29 ASN HB2 1 30 SER H . . 5.500 4.502 4.502 4.502 . 0 0 "[ ]" 1
459 1 29 ASN HB3 1 30 SER H . . 5.470 3.559 3.559 3.559 . 0 0 "[ ]" 1
460 1 27 ARG H 1 28 MET H . . 4.620 3.451 3.451 3.451 . 0 0 "[ ]" 1
461 1 26 TYR QB 1 28 MET H . . 5.230 3.375 3.375 3.375 . 0 0 "[ ]" 1
462 1 31 GLN H 1 32 ASP HA . . 5.350 5.164 5.164 5.164 . 0 0 "[ ]" 1
463 1 29 ASN HB2 1 32 ASP H . . 5.340 3.819 3.819 3.819 . 0 0 "[ ]" 1
464 1 27 ARG H 1 98 ASN H . . 5.500 5.393 5.393 5.393 . 0 0 "[ ]" 1
465 1 76 ILE MD 1 91 LEU HA . . 4.380 4.363 4.363 4.363 . 0 0 "[ ]" 1
466 1 76 ILE MD 1 87 ALA HA . . 3.450 1.940 1.940 1.940 . 0 0 "[ ]" 1
467 1 76 ILE MD 1 90 LEU HB3 . . 3.140 2.378 2.378 2.378 . 0 0 "[ ]" 1
468 1 76 ILE MD 1 90 LEU H . . 4.460 4.021 4.021 4.021 . 0 0 "[ ]" 1
469 1 67 ILE MD 1 68 ARG H . . 4.720 4.788 4.788 4.788 0.068 1 0 "[ ]" 1
470 1 61 ALA HA 1 67 ILE MD . . 4.440 4.455 4.455 4.455 0.015 1 0 "[ ]" 1
471 1 67 ILE HA 1 67 ILE MD . . 3.950 3.831 3.831 3.831 . 0 0 "[ ]" 1
472 1 23 VAL HB 1 67 ILE MD . . 3.660 3.094 3.094 3.094 . 0 0 "[ ]" 1
473 1 55 ILE MG 1 69 GLU H . . 3.460 2.515 2.515 2.515 . 0 0 "[ ]" 1
474 1 55 ILE MG 1 69 GLU HA . . 4.070 3.820 3.820 3.820 . 0 0 "[ ]" 1
475 1 55 ILE MG 1 69 GLU QG . . 3.530 1.872 1.872 1.872 . 0 0 "[ ]" 1
476 1 55 ILE MG 1 69 GLU HB2 . . 4.030 3.824 3.824 3.824 . 0 0 "[ ]" 1
477 1 55 ILE MG 1 68 ARG HB3 . . 4.180 3.398 3.398 3.398 . 0 0 "[ ]" 1
478 1 55 ILE HG13 1 55 ILE MG . . 3.010 2.501 2.501 2.501 . 0 0 "[ ]" 1
479 1 55 ILE MG 1 68 ARG HA . . 3.270 2.002 2.002 2.002 . 0 0 "[ ]" 1
480 1 55 ILE MG 1 62 ALA HA . . 4.600 4.550 4.550 4.550 . 0 0 "[ ]" 1
481 1 76 ILE MD 1 90 LEU HB2 . . 3.590 2.802 2.802 2.802 . 0 0 "[ ]" 1
482 1 76 ILE MD 1 91 LEU HG . . 3.310 3.284 3.284 3.284 . 0 0 "[ ]" 1
483 1 76 ILE MD 1 91 LEU MD2 . . 2.900 1.654 1.654 1.654 . 0 0 "[ ]" 1
484 1 76 ILE H 1 76 ILE MD . . 4.360 4.131 4.131 4.131 . 0 0 "[ ]" 1
485 1 76 ILE HA 1 76 ILE MD . . 4.060 3.787 3.787 3.787 . 0 0 "[ ]" 1
486 1 76 ILE HB 1 76 ILE MD . . 3.230 2.427 2.427 2.427 . 0 0 "[ ]" 1
487 1 67 ILE HB 1 67 ILE MD . . 3.240 2.276 2.276 2.276 . 0 0 "[ ]" 1
488 1 55 ILE MG 1 68 ARG H . . 4.450 4.525 4.525 4.525 0.075 1 0 "[ ]" 1
489 1 113 GLY HA2 1 114 TRP H . . 3.490 3.489 3.489 3.489 . 0 0 "[ ]" 1
490 1 35 GLY HA3 1 56 ASP QB . . 3.920 2.509 2.509 2.509 . 0 0 "[ ]" 1
491 1 35 GLY HA3 1 56 ASP H . . 4.740 3.678 3.678 3.678 . 0 0 "[ ]" 1
492 1 25 LEU H 1 25 LEU HB2 . . 4.040 2.811 2.811 2.811 . 0 0 "[ ]" 1
493 1 25 LEU HB3 1 34 LEU QD . . 4.470 3.549 3.549 3.549 . 0 0 "[ ]" 1
494 1 103 ILE H 1 103 ILE MD . . 3.760 3.772 3.772 3.772 0.012 1 0 "[ ]" 1
495 1 103 ILE MD 1 104 ALA H . . 3.890 3.968 3.968 3.968 0.078 1 0 "[ ]" 1
496 1 71 ASP HB2 1 103 ILE MD . . 4.320 4.365 4.365 4.365 0.045 1 0 "[ ]" 1
497 1 103 ILE HB 1 103 ILE MD . . 3.310 2.080 2.080 2.080 . 0 0 "[ ]" 1
498 1 25 LEU HB3 1 99 PHE HB2 . . 4.450 3.615 3.615 3.615 . 0 0 "[ ]" 1
499 1 48 ILE MD 1 49 GLY H . . 4.810 3.695 3.695 3.695 . 0 0 "[ ]" 1
500 1 48 ILE HA 1 48 ILE MD . . 3.980 3.754 3.754 3.754 . 0 0 "[ ]" 1
501 1 48 ILE HB 1 48 ILE MD . . 3.240 2.133 2.133 2.133 . 0 0 "[ ]" 1
502 1 42 THR HA 1 48 ILE MD . . 4.710 4.114 4.114 4.114 . 0 0 "[ ]" 1
503 1 73 ILE H 1 73 ILE MD . . 4.050 1.931 1.931 1.931 . 0 0 "[ ]" 1
504 1 51 TYR HA 1 73 ILE MD . . 4.620 2.811 2.811 2.811 . 0 0 "[ ]" 1
505 1 72 ARG HA 1 73 ILE MD . . 4.800 3.226 3.226 3.226 . 0 0 "[ ]" 1
506 1 52 ILE HA 1 73 ILE MD . . 4.840 3.563 3.563 3.563 . 0 0 "[ ]" 1
507 1 73 ILE HA 1 73 ILE MD . . 3.840 2.946 2.946 2.946 . 0 0 "[ ]" 1
508 1 49 GLY HA3 1 50 ILE H . . 3.620 3.296 3.296 3.296 . 0 0 "[ ]" 1
509 1 48 ILE MG 1 49 GLY HA3 . . 4.800 3.615 3.615 3.615 . 0 0 "[ ]" 1
510 1 50 ILE MD 1 82 GLN H . . 4.570 4.439 4.439 4.439 . 0 0 "[ ]" 1
511 1 50 ILE MD 1 51 TYR H . . 4.600 4.612 4.612 4.612 0.012 1 0 "[ ]" 1
512 1 49 GLY H 1 50 ILE MD . . 3.880 2.890 2.890 2.890 . 0 0 "[ ]" 1
513 1 50 ILE HA 1 50 ILE MD . . 3.680 2.747 2.747 2.747 . 0 0 "[ ]" 1
514 1 50 ILE MD 1 81 VAL HB . . 3.670 3.685 3.685 3.685 0.015 1 0 "[ ]" 1
515 1 50 ILE HB 1 50 ILE MD . . 3.460 2.151 2.151 2.151 . 0 0 "[ ]" 1
516 1 50 ILE H 1 50 ILE MD . . 3.980 2.242 2.242 2.242 . 0 0 "[ ]" 1
517 1 50 ILE MD 1 83 ASN H . . 4.060 3.097 3.097 3.097 . 0 0 "[ ]" 1
518 1 50 ILE MD 1 82 GLN HA . . 4.300 3.799 3.799 3.799 . 0 0 "[ ]" 1
519 1 27 ARG H 1 60 ILE MD . . 4.660 4.401 4.401 4.401 . 0 0 "[ ]" 1
520 1 33 LYS H 1 60 ILE MD . . 4.460 3.479 3.479 3.479 . 0 0 "[ ]" 1
521 1 60 ILE H 1 60 ILE MD . . 3.750 3.666 3.666 3.666 . 0 0 "[ ]" 1
522 1 60 ILE MD 1 61 ALA H . . 4.570 4.624 4.624 4.624 0.054 1 0 "[ ]" 1
523 1 27 ARG HE 1 60 ILE MD . . 4.880 4.739 4.739 4.739 . 0 0 "[ ]" 1
524 1 27 ARG HA 1 60 ILE MD . . 3.320 2.249 2.249 2.249 . 0 0 "[ ]" 1
525 1 34 LEU HA 1 60 ILE MD . . 3.470 3.383 3.383 3.383 . 0 0 "[ ]" 1
526 1 60 ILE HA 1 60 ILE MD . . 3.530 3.640 3.640 3.640 0.110 1 0 "[ ]" 1
527 1 32 ASP QB 1 60 ILE MD . . 3.560 1.713 1.713 1.713 . 0 0 "[ ]" 1
528 1 60 ILE HB 1 60 ILE MD . . 3.280 2.519 2.519 2.519 . 0 0 "[ ]" 1
529 1 27 ARG HG3 1 60 ILE MD . . 3.260 1.876 1.876 1.876 . 0 0 "[ ]" 1
530 1 9 ILE HA 1 9 ILE MD . . 4.300 4.037 4.037 4.037 . 0 0 "[ ]" 1
531 1 52 ILE MD 1 53 SER H . . 4.230 3.974 3.974 3.974 . 0 0 "[ ]" 1
532 1 52 ILE H 1 52 ILE MD . . 3.900 3.746 3.746 3.746 . 0 0 "[ ]" 1
533 1 52 ILE MD 1 71 ASP H . . 4.240 4.280 4.280 4.280 0.040 1 0 "[ ]" 1
534 1 38 VAL HA 1 52 ILE MD . . 4.680 3.754 3.754 3.754 . 0 0 "[ ]" 1
535 1 52 ILE HA 1 52 ILE MD . . 3.530 2.469 2.469 2.469 . 0 0 "[ ]" 1
536 1 52 ILE MD 1 69 GLU HA . . 4.780 4.689 4.689 4.689 . 0 0 "[ ]" 1
537 1 52 ILE MD 1 71 ASP HB2 . . 3.610 3.671 3.671 3.671 0.061 1 0 "[ ]" 1
538 1 52 ILE MD 1 71 ASP HB3 . . 3.820 3.717 3.717 3.717 . 0 0 "[ ]" 1
539 1 52 ILE HB 1 52 ILE MD . . 3.480 3.137 3.137 3.137 . 0 0 "[ ]" 1
540 1 27 ARG QD 1 60 ILE MD . . 4.540 3.077 3.077 3.077 . 0 0 "[ ]" 1
541 1 27 ARG QD 1 97 LYS HA . . 4.450 4.655 4.655 4.655 0.205 1 0 "[ ]" 1
542 1 27 ARG QD 1 30 SER HA . . 4.440 2.467 2.467 2.467 . 0 0 "[ ]" 1
543 1 27 ARG QD 1 34 LEU QD . . 4.430 3.033 3.033 3.033 . 0 0 "[ ]" 1
544 1 27 ARG QD 1 32 ASP QB . . 4.660 3.296 3.296 3.296 . 0 0 "[ ]" 1
545 1 27 ARG QD 1 99 PHE QD . . 4.260 3.733 3.733 3.733 . 0 0 "[ ]" 1
546 1 27 ARG HB2 1 27 ARG QD . . 3.900 2.678 2.678 2.678 . 0 0 "[ ]" 1
547 1 27 ARG QD 1 99 PHE QE . . 4.350 1.972 1.972 1.972 . 0 0 "[ ]" 1
548 1 20 LEU HB2 1 21 GLU H . . 4.170 3.565 3.565 3.565 . 0 0 "[ ]" 1
549 1 20 LEU H 1 20 LEU HB2 . . 3.480 2.502 2.502 2.502 . 0 0 "[ ]" 1
550 1 19 GLU HA 1 20 LEU HB2 . . 4.740 4.564 4.564 4.564 . 0 0 "[ ]" 1
551 1 20 LEU HB2 1 20 LEU MD1 . . 3.240 2.321 2.321 2.321 . 0 0 "[ ]" 1
552 1 20 LEU H 1 20 LEU HB3 . . 3.850 3.675 3.675 3.675 . 0 0 "[ ]" 1
553 1 68 ARG HA 1 68 ARG HD3 . . 4.540 4.493 4.493 4.493 . 0 0 "[ ]" 1
554 1 68 ARG HB2 1 68 ARG HD3 . . 3.530 2.318 2.318 2.318 . 0 0 "[ ]" 1
555 1 51 TYR QE 1 72 ARG HD2 . . 4.000 2.256 2.256 2.256 . 0 0 "[ ]" 1
556 1 51 TYR QD 1 72 ARG HD2 . . 4.500 4.280 4.280 4.280 . 0 0 "[ ]" 1
557 1 72 ARG HA 1 72 ARG HD2 . . 4.890 4.547 4.547 4.547 . 0 0 "[ ]" 1
558 1 72 ARG HD2 1 104 ALA MB . . 4.370 4.409 4.409 4.409 0.039 1 0 "[ ]" 1
559 1 72 ARG HB2 1 72 ARG HD3 . . 3.850 2.666 2.666 2.666 . 0 0 "[ ]" 1
560 1 51 TYR QD 1 72 ARG HD3 . . 4.740 4.757 4.757 4.757 0.017 1 0 "[ ]" 1
561 1 51 TYR QE 1 72 ARG HD3 . . 4.260 3.088 3.088 3.088 . 0 0 "[ ]" 1
562 1 72 ARG HB3 1 72 ARG HD3 . . 3.930 2.307 2.307 2.307 . 0 0 "[ ]" 1
563 1 72 ARG HD3 1 104 ALA MB . . 4.050 2.987 2.987 2.987 . 0 0 "[ ]" 1
564 1 64 ASP H 1 64 ASP HB2 . . 3.660 2.368 2.368 2.368 . 0 0 "[ ]" 1
565 1 64 ASP H 1 64 ASP HB3 . . 3.690 3.196 3.196 3.196 . 0 0 "[ ]" 1
566 1 74 ILE H 1 102 LEU HB3 . . 4.410 2.781 2.781 2.781 . 0 0 "[ ]" 1
567 1 102 LEU HB2 1 103 ILE H . . 4.320 4.251 4.251 4.251 . 0 0 "[ ]" 1
568 1 102 LEU H 1 102 LEU HB2 . . 3.730 2.347 2.347 2.347 . 0 0 "[ ]" 1
569 1 101 LEU HB3 1 101 LEU MD1 . . 2.880 2.697 2.697 2.697 . 0 0 "[ ]" 1
570 1 101 LEU H 1 101 LEU HB3 . . 4.170 3.602 3.602 3.602 . 0 0 "[ ]" 1
571 1 66 ARG H 1 66 ARG HD3 . . 4.960 4.203 4.203 4.203 . 0 0 "[ ]" 1
572 1 68 ARG HA 1 68 ARG HD2 . . 4.480 4.297 4.297 4.297 . 0 0 "[ ]" 1
573 1 36 LEU HB2 1 37 THR H . . 4.720 3.737 3.737 3.737 . 0 0 "[ ]" 1
574 1 18 LEU QB 1 18 LEU QD . . 2.880 1.927 1.927 1.927 . 0 0 "[ ]" 1
575 1 79 ILE MD 1 80 GLU H . . 4.170 4.196 4.196 4.196 0.026 1 0 "[ ]" 1
576 1 79 ILE HA 1 79 ILE MD . . 3.380 3.454 3.454 3.454 0.074 1 0 "[ ]" 1
577 1 79 ILE HB 1 79 ILE MD . . 3.210 2.685 2.685 2.685 . 0 0 "[ ]" 1
578 1 17 GLU HA 1 18 LEU QB . . 4.570 5.386 5.386 5.386 0.816 1 1 [+] 1
579 1 15 ARG HA 1 15 ARG QD . . 3.840 2.927 2.927 2.927 . 0 0 "[ ]" 1
580 1 15 ARG HB2 1 15 ARG QD . . 3.480 3.096 3.096 3.096 . 0 0 "[ ]" 1
581 1 15 ARG HB3 1 15 ARG QD . . 3.330 2.110 2.110 2.110 . 0 0 "[ ]" 1
582 1 15 ARG QD 1 18 LEU QD . . 4.140 3.316 3.316 3.316 . 0 0 "[ ]" 1
583 1 105 ARG HA 1 105 ARG HD2 . . 4.720 4.184 4.184 4.184 . 0 0 "[ ]" 1
584 1 105 ARG HB3 1 105 ARG HD2 . . 4.000 3.499 3.499 3.499 . 0 0 "[ ]" 1
585 1 105 ARG HA 1 105 ARG HD3 . . 4.550 4.613 4.613 4.613 0.063 1 0 "[ ]" 1
586 1 40 TYR QE 1 84 ARG QD . . 4.430 3.974 3.974 3.974 . 0 0 "[ ]" 1
587 1 40 TYR H 1 84 ARG QD . . 4.620 3.161 3.161 3.161 . 0 0 "[ ]" 1
588 1 84 ARG QD 1 88 VAL QG . . 4.540 4.263 4.263 4.263 . 0 0 "[ ]" 1
589 1 41 ARG HA 1 41 ARG QD . . 4.870 3.348 3.348 3.348 . 0 0 "[ ]" 1
590 1 90 LEU HB2 1 91 LEU H . . 4.150 3.191 3.191 3.191 . 0 0 "[ ]" 1
591 1 90 LEU HB2 1 90 LEU MD1 . . 3.160 2.157 2.157 2.157 . 0 0 "[ ]" 1
592 1 90 LEU HB3 1 91 LEU H . . 4.350 2.971 2.971 2.971 . 0 0 "[ ]" 1
593 1 87 ALA HA 1 90 LEU HB3 . . 4.620 4.419 4.419 4.419 . 0 0 "[ ]" 1
594 1 90 LEU H 1 90 LEU HB3 . . 3.820 3.224 3.224 3.224 . 0 0 "[ ]" 1
595 1 90 LEU HB3 1 90 LEU MD1 . . 3.110 2.626 2.626 2.626 . 0 0 "[ ]" 1
596 1 40 TYR QD 1 84 ARG QD . . 4.580 2.581 2.581 2.581 . 0 0 "[ ]" 1
597 1 84 ARG HB2 1 84 ARG QD . . 3.890 2.220 2.220 2.220 . 0 0 "[ ]" 1
598 1 50 ILE MG 1 84 ARG QD . . 4.710 4.181 4.181 4.181 . 0 0 "[ ]" 1
599 1 108 LEU HB2 1 109 GLN H . . 4.200 2.555 2.555 2.555 . 0 0 "[ ]" 1
600 1 110 LEU H 1 110 LEU HB2 . . 3.170 2.164 2.164 2.164 . 0 0 "[ ]" 1
601 1 108 LEU HB2 1 108 LEU MD2 . . 3.250 3.126 3.126 3.126 . 0 0 "[ ]" 1
602 1 108 LEU HB3 1 108 LEU MD2 . . 3.350 2.043 2.043 2.043 . 0 0 "[ ]" 1
603 1 33 LYS HE2 1 33 LYS QG . . 3.400 2.036 2.036 2.036 . 0 0 "[ ]" 1
604 1 28 MET HA 1 97 LYS QE . . 4.430 3.415 3.415 3.415 . 0 0 "[ ]" 1
605 1 97 LYS HB3 1 97 LYS QE . . 4.120 3.634 3.634 3.634 . 0 0 "[ ]" 1
606 1 97 LYS QE 1 97 LYS HG3 . . 3.580 2.085 2.085 2.085 . 0 0 "[ ]" 1
607 1 63 LYS HA 1 63 LYS QE . . 4.640 4.541 4.541 4.541 . 0 0 "[ ]" 1
608 1 63 LYS HB3 1 63 LYS QE . . 4.380 3.974 3.974 3.974 . 0 0 "[ ]" 1
609 1 63 LYS H 1 63 LYS QE . . 4.990 4.303 4.303 4.303 . 0 0 "[ ]" 1
610 1 99 PHE H 1 99 PHE HB2 . . 3.760 2.146 2.146 2.146 . 0 0 "[ ]" 1
611 1 25 LEU HB2 1 99 PHE HB2 . . 3.990 1.995 1.995 1.995 . 0 0 "[ ]" 1
612 1 99 PHE HB2 1 100 SER H . . 4.780 4.582 4.582 4.582 . 0 0 "[ ]" 1
613 1 25 LEU HB2 1 99 PHE HB3 . . 4.260 3.414 3.414 3.414 . 0 0 "[ ]" 1
614 1 60 ILE HA 1 63 LYS QE . . 4.490 4.332 4.332 4.332 . 0 0 "[ ]" 1
615 1 63 LYS QE 1 63 LYS HG2 . . 3.490 2.620 2.620 2.620 . 0 0 "[ ]" 1
616 1 51 TYR HB2 1 52 ILE H . . 4.250 3.737 3.737 3.737 . 0 0 "[ ]" 1
617 1 51 TYR H 1 51 TYR HB3 . . 3.730 3.696 3.696 3.696 . 0 0 "[ ]" 1
618 1 74 ILE H 1 74 ILE MD . . 3.940 3.163 3.163 3.163 . 0 0 "[ ]" 1
619 1 74 ILE MD 1 75 GLN H . . 4.530 4.419 4.419 4.419 . 0 0 "[ ]" 1
620 1 72 ARG HE 1 74 ILE MD . . 4.120 2.201 2.201 2.201 . 0 0 "[ ]" 1
621 1 74 ILE HA 1 74 ILE MD . . 3.040 1.866 1.866 1.866 . 0 0 "[ ]" 1
622 1 73 ILE HA 1 74 ILE MD . . 4.640 3.669 3.669 3.669 . 0 0 "[ ]" 1
623 1 72 ARG HD3 1 74 ILE MD . . 3.830 3.139 3.139 3.139 . 0 0 "[ ]" 1
624 1 74 ILE HB 1 74 ILE MD . . 3.400 3.176 3.176 3.176 . 0 0 "[ ]" 1
625 1 72 ARG HD2 1 74 ILE MD . . 4.330 3.931 3.931 3.931 . 0 0 "[ ]" 1
626 1 91 LEU HB3 1 91 LEU MD1 . . 3.130 2.209 2.209 2.209 . 0 0 "[ ]" 1
627 1 29 ASN H 1 32 ASP QB . . 4.670 3.442 3.442 3.442 . 0 0 "[ ]" 1
628 1 32 ASP H 1 32 ASP QB . . 3.490 2.437 2.437 2.437 . 0 0 "[ ]" 1
629 1 27 ARG HG3 1 32 ASP QB . . 4.310 2.440 2.440 2.440 . 0 0 "[ ]" 1
630 1 27 ARG HG2 1 32 ASP QB . . 4.050 2.098 2.098 2.098 . 0 0 "[ ]" 1
631 1 27 ARG HB2 1 32 ASP QB . . 4.510 4.494 4.494 4.494 . 0 0 "[ ]" 1
632 1 68 ARG H 1 71 ASP HB2 . . 4.910 2.800 2.800 2.800 . 0 0 "[ ]" 1
633 1 56 ASP H 1 56 ASP QB . . 3.360 2.033 2.033 2.033 . 0 0 "[ ]" 1
634 1 56 ASP QB 1 59 SER HB3 . . 3.410 2.160 2.160 2.160 . 0 0 "[ ]" 1
635 1 56 ASP QB 1 57 PRO HD2 . . 3.820 2.959 2.959 2.959 . 0 0 "[ ]" 1
636 1 71 ASP H 1 71 ASP HB3 . . 3.980 3.234 3.234 3.234 . 0 0 "[ ]" 1
637 1 71 ASP HB3 1 103 ILE MD . . 3.880 3.900 3.900 3.900 0.020 1 0 "[ ]" 1
638 1 71 ASP HB3 1 72 ARG H . . 4.190 3.606 3.606 3.606 . 0 0 "[ ]" 1
639 1 103 ILE H 1 103 ILE HB . . 3.740 3.831 3.831 3.831 0.091 1 0 "[ ]" 1
640 1 103 ILE HB 1 104 ALA H . . 3.530 2.808 2.808 2.808 . 0 0 "[ ]" 1
641 1 71 ASP HB2 1 103 ILE HB . . 4.490 4.321 4.321 4.321 . 0 0 "[ ]" 1
642 1 71 ASP HB3 1 103 ILE HB . . 4.070 3.083 3.083 3.083 . 0 0 "[ ]" 1
643 1 34 LEU H 1 34 LEU HB3 . . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
644 1 34 LEU HB3 1 35 GLY H . . 3.960 3.672 3.672 3.672 . 0 0 "[ ]" 1
645 1 34 LEU HB3 1 36 LEU H . . 4.310 3.273 3.273 3.273 . 0 0 "[ ]" 1
646 1 34 LEU HB3 1 34 LEU QD . . 3.130 2.096 2.096 2.096 . 0 0 "[ ]" 1
647 1 34 LEU H 1 34 LEU HB2 . . 3.500 2.338 2.338 2.338 . 0 0 "[ ]" 1
648 1 34 LEU HB2 1 35 GLY H . . 4.040 2.833 2.833 2.833 . 0 0 "[ ]" 1
649 1 33 LYS HA 1 34 LEU HB2 . . 4.490 4.612 4.612 4.612 0.122 1 0 "[ ]" 1
650 1 47 ASP HB2 1 48 ILE H . . 4.310 4.415 4.415 4.415 0.105 1 0 "[ ]" 1
651 1 47 ASP H 1 47 ASP HB2 . . 3.540 3.426 3.426 3.426 . 0 0 "[ ]" 1
652 1 28 MET QB 1 32 ASP QB . . 4.630 4.994 4.994 4.994 0.364 1 0 "[ ]" 1
653 1 44 ASP H 1 44 ASP HB2 . . 3.540 3.269 3.269 3.269 . 0 0 "[ ]" 1
654 1 116 ASP H 1 116 ASP HB2 . . 4.050 2.298 2.298 2.298 . 0 0 "[ ]" 1
655 1 44 ASP H 1 44 ASP HB3 . . 3.470 2.980 2.980 2.980 . 0 0 "[ ]" 1
656 1 44 ASP HA 1 44 ASP HB3 . . 3.030 3.054 3.054 3.054 0.024 1 0 "[ ]" 1
657 1 47 ASP H 1 47 ASP HB3 . . 3.530 3.232 3.232 3.232 . 0 0 "[ ]" 1
658 1 116 ASP H 1 116 ASP HB3 . . 3.990 3.515 3.515 3.515 . 0 0 "[ ]" 1
659 1 26 TYR H 1 26 TYR QB . . 3.620 2.514 2.514 2.514 . 0 0 "[ ]" 1
660 1 26 TYR QB 1 27 ARG H . . 4.260 3.392 3.392 3.392 . 0 0 "[ ]" 1
661 1 46 ASP H 1 46 ASP HB2 . . 3.680 2.062 2.062 2.062 . 0 0 "[ ]" 1
662 1 46 ASP HB2 1 47 ASP H . . 3.500 2.719 2.719 2.719 . 0 0 "[ ]" 1
663 1 14 ASP H 1 14 ASP HB3 . . 3.260 3.259 3.259 3.259 . 0 0 "[ ]" 1
664 1 14 ASP HA 1 14 ASP HB3 . . 2.940 2.909 2.909 2.909 . 0 0 "[ ]" 1
665 1 117 ASP H 1 117 ASP QB . . 3.310 2.957 2.957 2.957 . 0 0 "[ ]" 1
666 1 14 ASP H 1 14 ASP HB2 . . 3.500 2.551 2.551 2.551 . 0 0 "[ ]" 1
667 1 43 ASP H 1 43 ASP HB2 . . 3.990 3.336 3.336 3.336 . 0 0 "[ ]" 1
668 1 24 ASP H 1 24 ASP QB . . 3.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
669 1 28 MET QB 1 29 ASN HB3 . . 4.780 5.040 5.040 5.040 0.260 1 0 "[ ]" 1
670 1 98 ASN QB 1 99 PHE H . . 4.100 3.656 3.656 3.656 . 0 0 "[ ]" 1
671 1 40 TYR HB2 1 41 ARG H . . 4.140 4.045 4.045 4.045 . 0 0 "[ ]" 1
672 1 40 TYR H 1 40 TYR HB2 . . 4.000 2.017 2.017 2.017 . 0 0 "[ ]" 1
673 1 83 ASN HB2 1 85 GLU H . . 4.550 3.668 3.668 3.668 . 0 0 "[ ]" 1
674 1 83 ASN HB2 1 84 ARG H . . 3.850 3.505 3.505 3.505 . 0 0 "[ ]" 1
675 1 83 ASN HB3 1 84 ARG H . . 3.770 3.037 3.037 3.037 . 0 0 "[ ]" 1
676 1 83 ASN HB3 1 86 GLU QB . . 4.360 3.826 3.826 3.826 . 0 0 "[ ]" 1
677 1 83 ASN HB3 1 83 ASN HD22 . . 4.080 4.123 4.123 4.123 0.043 1 0 "[ ]" 1
678 1 29 ASN HB2 1 31 GLN H . . 4.350 3.807 3.807 3.807 . 0 0 "[ ]" 1
679 1 40 TYR HB3 1 41 ARG H . . 4.410 2.746 2.746 2.746 . 0 0 "[ ]" 1
680 1 98 ASN H 1 98 ASN QB . . 3.550 2.750 2.750 2.750 . 0 0 "[ ]" 1
681 1 55 ILE HB 1 56 ASP H . . 4.990 4.594 4.594 4.594 . 0 0 "[ ]" 1
682 1 55 ILE H 1 55 ILE HB . . 3.420 2.958 2.958 2.958 . 0 0 "[ ]" 1
683 1 55 ILE HB 1 69 GLU QG . . 4.370 1.982 1.982 1.982 . 0 0 "[ ]" 1
684 1 96 ASN HB2 1 99 PHE HZ . . 4.300 3.461 3.461 3.461 . 0 0 "[ ]" 1
685 1 96 ASN H 1 96 ASN HB2 . . 3.390 2.306 2.306 2.306 . 0 0 "[ ]" 1
686 1 96 ASN HB2 1 99 PHE QE . . 4.540 2.925 2.925 2.925 . 0 0 "[ ]" 1
687 1 96 ASN H 1 96 ASN HB3 . . 3.630 3.529 3.529 3.529 . 0 0 "[ ]" 1
688 1 96 ASN HB3 1 99 PHE HZ . . 4.470 4.498 4.498 4.498 0.028 1 0 "[ ]" 1
689 1 96 ASN HB3 1 99 PHE QE . . 4.560 3.708 3.708 3.708 . 0 0 "[ ]" 1
690 1 41 ARG H 1 51 TYR QD . . 4.140 4.009 4.009 4.009 . 0 0 "[ ]" 1
691 1 51 TYR QD 1 52 ILE H . . 4.280 3.987 3.987 3.987 . 0 0 "[ ]" 1
692 1 51 TYR H 1 51 TYR QD . . 3.590 2.696 2.696 2.696 . 0 0 "[ ]" 1
693 1 40 TYR HA 1 51 TYR QD . . 4.400 3.483 3.483 3.483 . 0 0 "[ ]" 1
694 1 51 TYR HA 1 51 TYR QD . . 3.860 3.039 3.039 3.039 . 0 0 "[ ]" 1
695 1 50 ILE HA 1 51 TYR QD . . 3.870 3.234 3.234 3.234 . 0 0 "[ ]" 1
696 1 49 GLY HA3 1 51 TYR QD . . 4.330 4.368 4.368 4.368 0.038 1 0 "[ ]" 1
697 1 51 TYR QD 1 72 ARG HB2 . . 4.200 2.436 2.436 2.436 . 0 0 "[ ]" 1
698 1 51 TYR QD 1 72 ARG HB3 . . 4.010 4.013 4.013 4.013 0.003 1 0 "[ ]" 1
699 1 41 ARG HG2 1 51 TYR QD . . 4.400 3.787 3.787 3.787 . 0 0 "[ ]" 1
700 1 50 ILE MG 1 51 TYR QD . . 4.800 4.510 4.510 4.510 . 0 0 "[ ]" 1
701 1 73 ILE HB 1 74 ILE H . . 4.850 4.370 4.370 4.370 . 0 0 "[ ]" 1
702 1 73 ILE H 1 73 ILE HB . . 3.470 2.139 2.139 2.139 . 0 0 "[ ]" 1
703 1 50 ILE HB 1 73 ILE HB . . 3.780 3.352 3.352 3.352 . 0 0 "[ ]" 1
704 1 72 ARG HA 1 73 ILE HB . . 4.450 4.338 4.338 4.338 . 0 0 "[ ]" 1
705 1 26 TYR QD 1 27 ARG H . . 4.150 3.345 3.345 3.345 . 0 0 "[ ]" 1
706 1 26 TYR HA 1 26 TYR QD . . 3.630 2.988 2.988 2.988 . 0 0 "[ ]" 1
707 1 26 TYR QD 1 98 ASN HA . . 3.930 3.916 3.916 3.916 . 0 0 "[ ]" 1
708 1 26 TYR QD 1 28 MET HA . . 4.740 3.451 3.451 3.451 . 0 0 "[ ]" 1
709 1 26 TYR QD 1 98 ASN QB . . 4.060 3.733 3.733 3.733 . 0 0 "[ ]" 1
710 1 26 TYR QD 1 28 MET ME . . 4.580 3.339 3.339 3.339 . 0 0 "[ ]" 1
711 1 26 TYR QD 1 97 LYS QD . . 4.500 3.271 3.271 3.271 . 0 0 "[ ]" 1
712 1 25 LEU HA 1 26 TYR QD . . 4.390 4.422 4.422 4.422 0.032 1 0 "[ ]" 1
713 1 48 ILE H 1 48 ILE HB . . 3.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
714 1 67 ILE HB 1 68 ARG H . . 4.590 3.977 3.977 3.977 . 0 0 "[ ]" 1
715 1 67 ILE H 1 67 ILE HB . . 3.350 2.495 2.495 2.495 . 0 0 "[ ]" 1
716 1 61 ALA MB 1 67 ILE HB . . 4.110 2.645 2.645 2.645 . 0 0 "[ ]" 1
717 1 58 ASN H 1 58 ASN HB2 . . 3.920 2.371 2.371 2.371 . 0 0 "[ ]" 1
718 1 58 ASN HB2 1 58 ASN HD22 . . 4.130 3.447 3.447 3.447 . 0 0 "[ ]" 1
719 1 58 ASN H 1 58 ASN HB3 . . 3.800 3.426 3.426 3.426 . 0 0 "[ ]" 1
720 1 58 ASN HB3 1 58 ASN HD22 . . 3.770 4.005 4.005 4.005 0.235 1 0 "[ ]" 1
721 1 79 ILE HB 1 80 GLU H . . 4.580 4.101 4.101 4.101 . 0 0 "[ ]" 1
722 1 76 ILE H 1 79 ILE HB . . 4.240 2.925 2.925 2.925 . 0 0 "[ ]" 1
723 1 79 ILE H 1 79 ILE HB . . 3.260 2.389 2.389 2.389 . 0 0 "[ ]" 1
724 1 76 ILE HB 1 79 ILE HB . . 4.530 3.263 3.263 3.263 . 0 0 "[ ]" 1
725 1 60 ILE H 1 60 ILE HB . . 3.570 2.586 2.586 2.586 . 0 0 "[ ]" 1
726 1 60 ILE HB 1 61 ALA H . . 3.740 2.458 2.458 2.458 . 0 0 "[ ]" 1
727 1 34 LEU HA 1 60 ILE HB . . 3.320 2.230 2.230 2.230 . 0 0 "[ ]" 1
728 1 40 TYR QD 1 50 ILE HG12 . . 4.400 4.274 4.274 4.274 . 0 0 "[ ]" 1
729 1 40 TYR QD 1 41 ARG H . . 4.120 3.493 3.493 3.493 . 0 0 "[ ]" 1
730 1 40 TYR QD 1 84 ARG H . . 4.580 4.157 4.157 4.157 . 0 0 "[ ]" 1
731 1 40 TYR H 1 40 TYR QD . . 3.950 3.466 3.466 3.466 . 0 0 "[ ]" 1
732 1 40 TYR HA 1 40 TYR QD . . 3.360 2.391 2.391 2.391 . 0 0 "[ ]" 1
733 1 40 TYR QD 1 50 ILE HA . . 4.190 3.591 3.591 3.591 . 0 0 "[ ]" 1
734 1 40 TYR QD 1 84 ARG HB2 . . 4.880 2.080 2.080 2.080 . 0 0 "[ ]" 1
735 1 40 TYR QD 1 42 THR MG . . 4.320 4.073 4.073 4.073 . 0 0 "[ ]" 1
736 1 40 TYR QD 1 50 ILE HG13 . . 4.280 2.745 2.745 2.745 . 0 0 "[ ]" 1
737 1 40 TYR QD 1 48 ILE MG . . 3.990 2.823 2.823 2.823 . 0 0 "[ ]" 1
738 1 40 TYR QD 1 50 ILE MD . . 3.970 3.548 3.548 3.548 . 0 0 "[ ]" 1
739 1 42 THR HB 1 43 ASP H . . 3.380 1.939 1.939 1.939 . 0 0 "[ ]" 1
740 1 42 THR HB 1 48 ILE MD . . 4.830 5.532 5.532 5.532 0.702 1 1 [+] 1
741 1 42 THR HB 1 44 ASP H . . 4.420 4.130 4.130 4.130 . 0 0 "[ ]" 1
742 1 37 THR HB 1 53 SER H . . 4.630 4.314 4.314 4.314 . 0 0 "[ ]" 1
743 1 37 THR HB 1 38 VAL H . . 4.220 4.192 4.192 4.192 . 0 0 "[ ]" 1
744 1 37 THR H 1 37 THR HB . . 3.510 2.075 2.075 2.075 . 0 0 "[ ]" 1
745 1 37 THR HB 1 54 GLU H . . 3.470 2.621 2.621 2.621 . 0 0 "[ ]" 1
746 1 37 THR HB 1 54 GLU HG3 . . 4.240 4.041 4.041 4.041 . 0 0 "[ ]" 1
747 1 37 THR HB 1 54 GLU QB . . 3.180 1.907 1.907 1.907 . 0 0 "[ ]" 1
748 1 50 ILE HB 1 51 TYR H . . 4.620 4.396 4.396 4.396 . 0 0 "[ ]" 1
749 1 50 ILE H 1 50 ILE HB . . 3.460 2.168 2.168 2.168 . 0 0 "[ ]" 1
750 1 49 GLY HA2 1 50 ILE HB . . 4.930 4.316 4.316 4.316 . 0 0 "[ ]" 1
751 1 50 ILE HB 1 73 ILE H . . 4.650 4.209 4.209 4.209 . 0 0 "[ ]" 1
752 1 74 ILE H 1 74 ILE HB . . 3.590 2.465 2.465 2.465 . 0 0 "[ ]" 1
753 1 74 ILE HB 1 75 GLN H . . 3.560 2.530 2.530 2.530 . 0 0 "[ ]" 1
754 1 73 ILE HA 1 74 ILE HB . . 4.630 4.491 4.491 4.491 . 0 0 "[ ]" 1
755 1 74 ILE HB 1 75 GLN HG3 . . 4.720 3.718 3.718 3.718 . 0 0 "[ ]" 1
756 1 74 ILE HB 1 102 LEU MD1 . . 3.630 2.863 2.863 2.863 . 0 0 "[ ]" 1
757 1 85 GLU HG2 1 86 GLU H . . 4.790 4.628 4.628 4.628 . 0 0 "[ ]" 1
758 1 85 GLU H 1 85 GLU HG2 . . 4.080 2.448 2.448 2.448 . 0 0 "[ ]" 1
759 1 85 GLU HA 1 85 GLU HG2 . . 3.860 2.291 2.291 2.291 . 0 0 "[ ]" 1
760 1 85 GLU H 1 85 GLU HG3 . . 3.990 2.754 2.754 2.754 . 0 0 "[ ]" 1
761 1 85 GLU HG3 1 86 GLU H . . 4.800 4.511 4.511 4.511 . 0 0 "[ ]" 1
762 1 52 ILE HB 1 70 GLY H . . 3.990 2.107 2.107 2.107 . 0 0 "[ ]" 1
763 1 52 ILE H 1 52 ILE HB . . 3.570 2.470 2.470 2.470 . 0 0 "[ ]" 1
764 1 52 ILE HB 1 71 ASP H . . 3.850 1.941 1.941 1.941 . 0 0 "[ ]" 1
765 1 52 ILE HB 1 69 GLU HA . . 3.960 2.705 2.705 2.705 . 0 0 "[ ]" 1
766 1 52 ILE HB 1 71 ASP HB2 . . 4.500 2.854 2.854 2.854 . 0 0 "[ ]" 1
767 1 55 ILE HG13 1 69 GLU QG . . 3.860 3.884 3.884 3.884 0.024 1 0 "[ ]" 1
768 1 69 GLU QG 1 70 GLY H . . 4.230 4.272 4.272 4.272 0.042 1 0 "[ ]" 1
769 1 52 ILE MG 1 69 GLU QG . . 3.760 3.018 3.018 3.018 . 0 0 "[ ]" 1
770 1 99 PHE H 1 99 PHE QE . . 4.740 4.778 4.778 4.778 0.038 1 0 "[ ]" 1
771 1 27 ARG HB3 1 99 PHE QE . . 4.360 3.770 3.770 3.770 . 0 0 "[ ]" 1
772 1 99 PHE H 1 99 PHE QD . . 3.970 2.753 2.753 2.753 . 0 0 "[ ]" 1
773 1 77 ASN HD22 1 99 PHE QD . . 4.830 3.753 3.753 3.753 . 0 0 "[ ]" 1
774 1 98 ASN HA 1 99 PHE QD . . 4.630 4.271 4.271 4.271 . 0 0 "[ ]" 1
775 1 99 PHE HA 1 99 PHE QD . . 4.210 2.696 2.696 2.696 . 0 0 "[ ]" 1
776 1 91 LEU HA 1 99 PHE QD . . 4.470 3.053 3.053 3.053 . 0 0 "[ ]" 1
777 1 25 LEU HB2 1 99 PHE QD . . 4.180 3.402 3.402 3.402 . 0 0 "[ ]" 1
778 1 79 ILE MG 1 80 GLU HG2 . . 4.830 4.941 4.941 4.941 0.111 1 0 "[ ]" 1
779 1 80 GLU HA 1 80 GLU HG2 . . 3.900 2.234 2.234 2.234 . 0 0 "[ ]" 1
780 1 55 ILE H 1 69 GLU QG . . 3.740 2.219 2.219 2.219 . 0 0 "[ ]" 1
781 1 69 GLU H 1 69 GLU QG . . 3.360 2.299 2.299 2.299 . 0 0 "[ ]" 1
782 1 94 GLU H 1 94 GLU HG2 . . 4.180 4.084 4.084 4.084 . 0 0 "[ ]" 1
783 1 94 GLU HA 1 94 GLU HG2 . . 3.830 1.989 1.989 1.989 . 0 0 "[ ]" 1
784 1 94 GLU H 1 94 GLU HG3 . . 4.230 3.844 3.844 3.844 . 0 0 "[ ]" 1
785 1 80 GLU H 1 80 GLU HG2 . . 3.840 3.477 3.477 3.477 . 0 0 "[ ]" 1
786 1 80 GLU HG2 1 81 VAL H . . 4.430 4.415 4.415 4.415 . 0 0 "[ ]" 1
787 1 79 ILE HA 1 80 GLU HG2 . . 4.660 4.601 4.601 4.601 . 0 0 "[ ]" 1
788 1 54 GLU H 1 54 GLU HG3 . . 4.320 3.688 3.688 3.688 . 0 0 "[ ]" 1
789 1 83 ASN HD22 1 86 GLU HG2 . . 4.730 3.485 3.485 3.485 . 0 0 "[ ]" 1
790 1 86 GLU HA 1 86 GLU HG2 . . 3.730 3.554 3.554 3.554 . 0 0 "[ ]" 1
791 1 86 GLU HG2 1 90 LEU MD1 . . 4.110 3.916 3.916 3.916 . 0 0 "[ ]" 1
792 1 107 GLU H 1 107 GLU QG . . 3.520 4.096 4.096 4.096 0.576 1 1 [+] 1
793 1 95 GLU H 1 95 GLU QG . . 3.700 3.713 3.713 3.713 0.013 1 0 "[ ]" 1
794 1 95 GLU QG 1 96 ASN H . . 4.670 4.396 4.396 4.396 . 0 0 "[ ]" 1
795 1 16 GLU HA 1 16 GLU HG2 . . 3.460 3.543 3.543 3.543 0.083 1 0 "[ ]" 1
796 1 16 GLU H 1 16 GLU HG2 . . 3.340 1.964 1.964 1.964 . 0 0 "[ ]" 1
797 1 86 GLU HG3 1 87 ALA H . . 4.600 4.631 4.631 4.631 0.031 1 0 "[ ]" 1
798 1 19 GLU HB3 1 19 GLU HG2 . . 2.740 2.777 2.777 2.777 0.037 1 0 "[ ]" 1
799 1 19 GLU H 1 19 GLU HG2 . . 4.640 4.350 4.350 4.350 . 0 0 "[ ]" 1
800 1 19 GLU HG2 1 20 LEU H . . 4.190 3.026 3.026 3.026 . 0 0 "[ ]" 1
801 1 19 GLU HA 1 19 GLU HG2 . . 3.830 2.000 2.000 2.000 . 0 0 "[ ]" 1
802 1 19 GLU H 1 19 GLU HG3 . . 4.250 4.263 4.263 4.263 0.013 1 0 "[ ]" 1
803 1 19 GLU HG3 1 20 LEU H . . 4.440 4.466 4.466 4.466 0.026 1 0 "[ ]" 1
804 1 19 GLU HA 1 19 GLU HG3 . . 4.010 3.016 3.016 3.016 . 0 0 "[ ]" 1
805 1 22 GLU QG 1 23 VAL H . . 3.720 3.065 3.065 3.065 . 0 0 "[ ]" 1
806 1 22 GLU H 1 22 GLU QG . . 3.820 3.775 3.775 3.775 . 0 0 "[ ]" 1
807 1 22 GLU HA 1 22 GLU QG . . 3.380 2.156 2.156 2.156 . 0 0 "[ ]" 1
808 1 22 GLU QG 1 102 LEU HG . . 4.450 2.426 2.426 2.426 . 0 0 "[ ]" 1
809 1 21 GLU H 1 21 GLU HG2 . . 4.800 4.709 4.709 4.709 . 0 0 "[ ]" 1
810 1 21 GLU HG2 1 22 GLU H . . 3.980 3.909 3.909 3.909 . 0 0 "[ ]" 1
811 1 21 GLU HA 1 21 GLU HG2 . . 3.750 3.302 3.302 3.302 . 0 0 "[ ]" 1
812 1 21 GLU HG2 1 23 VAL MG2 . . 3.850 2.289 2.289 2.289 . 0 0 "[ ]" 1
813 1 21 GLU H 1 21 GLU HG3 . . 4.780 4.627 4.627 4.627 . 0 0 "[ ]" 1
814 1 21 GLU HA 1 21 GLU HG3 . . 4.100 2.288 2.288 2.288 . 0 0 "[ ]" 1
815 1 35 GLY HA2 1 59 SER HB2 . . 3.990 3.554 3.554 3.554 . 0 0 "[ ]" 1
816 1 56 ASP QB 1 59 SER HB2 . . 4.130 3.460 3.460 3.460 . 0 0 "[ ]" 1
817 1 59 SER HB2 1 60 ILE QG . . 4.600 3.900 3.900 3.900 . 0 0 "[ ]" 1
818 1 59 SER HB3 1 60 ILE H . . 4.100 3.944 3.944 3.944 . 0 0 "[ ]" 1
819 1 59 SER HB3 1 61 ALA H . . 4.910 4.735 4.735 4.735 . 0 0 "[ ]" 1
820 1 35 GLY HA2 1 59 SER HB3 . . 4.140 3.734 3.734 3.734 . 0 0 "[ ]" 1
821 1 59 SER HB3 1 62 ALA MB . . 4.590 3.332 3.332 3.332 . 0 0 "[ ]" 1
822 1 88 VAL HA 1 91 LEU H . . 4.070 3.178 3.178 3.178 . 0 0 "[ ]" 1
823 1 87 ALA HA 1 88 VAL HA . . 4.590 4.624 4.624 4.624 0.034 1 0 "[ ]" 1
824 1 88 VAL HA 1 91 LEU HB2 . . 3.700 2.389 2.389 2.389 . 0 0 "[ ]" 1
825 1 88 VAL HA 1 91 LEU HB3 . . 3.960 4.017 4.017 4.017 0.057 1 0 "[ ]" 1
826 1 88 VAL HA 1 91 LEU MD2 . . 3.440 3.454 3.454 3.454 0.014 1 0 "[ ]" 1
827 1 22 GLU HA 1 23 VAL HB . . 4.600 4.527 4.527 4.527 . 0 0 "[ ]" 1
828 1 23 VAL H 1 23 VAL HB . . 3.570 2.446 2.446 2.446 . 0 0 "[ ]" 1
829 1 38 VAL HB 1 39 CYS H . . 3.520 3.529 3.529 3.529 0.009 1 0 "[ ]" 1
830 1 38 VAL HB 1 52 ILE HA . . 5.020 3.446 3.446 3.446 . 0 0 "[ ]" 1
831 1 37 THR MG 1 38 VAL HB . . 5.500 4.738 4.738 4.738 . 0 0 "[ ]" 1
832 1 38 VAL HB 1 50 ILE MG . . 2.890 2.928 2.928 2.928 0.038 1 0 "[ ]" 1
833 1 38 VAL HB 1 51 TYR H . . 4.850 4.728 4.728 4.728 . 0 0 "[ ]" 1
834 1 75 GLN HB2 1 102 LEU HB2 . . 3.900 2.759 2.759 2.759 . 0 0 "[ ]" 1
835 1 75 GLN HB3 1 76 ILE H . . 4.100 2.585 2.585 2.585 . 0 0 "[ ]" 1
836 1 31 GLN H 1 31 GLN QG . . 3.770 3.729 3.729 3.729 . 0 0 "[ ]" 1
837 1 31 GLN QG 1 32 ASP H . . 4.850 4.514 4.514 4.514 . 0 0 "[ ]" 1
838 1 81 VAL MG2 1 82 GLN QG . . 4.510 4.321 4.321 4.321 . 0 0 "[ ]" 1
839 1 82 GLN H 1 82 GLN QG . . 3.590 3.317 3.317 3.317 . 0 0 "[ ]" 1
840 1 82 GLN HA 1 82 GLN QG . . 3.460 2.314 2.314 2.314 . 0 0 "[ ]" 1
841 1 82 GLN HB3 1 82 GLN QG . . 2.730 2.380 2.380 2.380 . 0 0 "[ ]" 1
842 1 75 GLN HG2 1 78 GLY H . . 4.990 5.072 5.072 5.072 0.082 1 0 "[ ]" 1
843 1 75 GLN HG2 1 102 LEU MD1 . . 4.390 4.418 4.418 4.418 0.028 1 0 "[ ]" 1
844 1 27 ARG H 1 97 LYS HB3 . . 4.690 4.276 4.276 4.276 . 0 0 "[ ]" 1
845 1 97 LYS HB2 1 97 LYS QE . . 4.710 3.672 3.672 3.672 . 0 0 "[ ]" 1
846 1 109 GLN H 1 109 GLN QG . . 3.840 3.868 3.868 3.868 0.028 1 0 "[ ]" 1
847 1 109 GLN QG 1 110 LEU H . . 4.040 2.116 2.116 2.116 . 0 0 "[ ]" 1
848 1 109 GLN HA 1 109 GLN QG . . 3.410 2.232 2.232 2.232 . 0 0 "[ ]" 1
849 1 54 GLU QB 1 55 ILE H . . 3.530 2.777 2.777 2.777 . 0 0 "[ ]" 1
850 1 54 GLU H 1 54 GLU QB . . 3.570 2.623 2.623 2.623 . 0 0 "[ ]" 1
851 1 33 LYS HB2 1 35 GLY HA3 . . 4.740 4.865 4.865 4.865 0.125 1 0 "[ ]" 1
852 1 33 LYS HB2 1 34 LEU H . . 4.200 2.958 2.958 2.958 . 0 0 "[ ]" 1
853 1 33 LYS HB2 1 35 GLY H . . 4.030 2.829 2.829 2.829 . 0 0 "[ ]" 1
854 1 68 ARG H 1 68 ARG HB2 . . 4.030 2.728 2.728 2.728 . 0 0 "[ ]" 1
855 1 33 LYS HB3 1 34 LEU H . . 4.420 4.013 4.013 4.013 . 0 0 "[ ]" 1
856 1 33 LYS HB3 1 35 GLY H . . 4.390 4.499 4.499 4.499 0.109 1 0 "[ ]" 1
857 1 68 ARG HB3 1 68 ARG HD2 . . 4.260 3.732 3.732 3.732 . 0 0 "[ ]" 1
858 1 68 ARG HB3 1 68 ARG HD3 . . 4.110 2.841 2.841 2.841 . 0 0 "[ ]" 1
859 1 13 MET H 1 13 MET HB2 . . 3.740 2.431 2.431 2.431 . 0 0 "[ ]" 1
860 1 72 ARG HB2 1 74 ILE MD . . 4.690 4.415 4.415 4.415 . 0 0 "[ ]" 1
861 1 72 ARG HB3 1 104 ALA MB . . 4.050 2.133 2.133 2.133 . 0 0 "[ ]" 1
862 1 21 GLU H 1 21 GLU HB3 . . 3.730 3.009 3.009 3.009 . 0 0 "[ ]" 1
863 1 21 GLU HB3 1 103 ILE MD . . 3.870 2.575 2.575 2.575 . 0 0 "[ ]" 1
864 1 51 TYR HA 1 72 ARG HB2 . . 4.810 4.510 4.510 4.510 . 0 0 "[ ]" 1
865 1 72 ARG H 1 72 ARG HB2 . . 3.640 2.564 2.564 2.564 . 0 0 "[ ]" 1
866 1 21 GLU HB2 1 103 ILE HG13 . . 4.140 4.101 4.101 4.101 . 0 0 "[ ]" 1
867 1 21 GLU H 1 21 GLU HB2 . . 3.650 3.291 3.291 3.291 . 0 0 "[ ]" 1
868 1 21 GLU HB2 1 105 ARG HB3 . . 3.360 3.099 3.099 3.099 . 0 0 "[ ]" 1
869 1 72 ARG HB3 1 104 ALA H . . 4.780 2.920 2.920 2.920 . 0 0 "[ ]" 1
870 1 57 PRO HA 1 59 SER H . . 4.450 4.488 4.488 4.488 0.038 1 0 "[ ]" 1
871 1 23 VAL MG2 1 66 ARG HB3 . . 4.320 4.104 4.104 4.104 . 0 0 "[ ]" 1
872 1 66 ARG HB3 1 66 ARG HE . . 4.380 4.225 4.225 4.225 . 0 0 "[ ]" 1
873 1 81 VAL HB 1 82 GLN H . . 4.020 2.710 2.710 2.710 . 0 0 "[ ]" 1
874 1 114 TRP QB 1 114 TRP HD1 . . 3.560 2.677 2.677 2.677 . 0 0 "[ ]" 1
875 1 114 TRP H 1 114 TRP HD1 . . 3.890 3.738 3.738 3.738 . 0 0 "[ ]" 1
876 1 114 TRP HA 1 114 TRP HD1 . . 4.380 3.568 3.568 3.568 . 0 0 "[ ]" 1
877 1 57 PRO HA 1 58 ASN H . . 3.490 3.410 3.410 3.410 . 0 0 "[ ]" 1
878 1 55 ILE MD 1 57 PRO HA . . 4.370 3.899 3.899 3.899 . 0 0 "[ ]" 1
879 1 60 ILE HA 1 63 LYS HB2 . . 3.780 2.914 2.914 2.914 . 0 0 "[ ]" 1
880 1 60 ILE HA 1 60 ILE QG . . 3.550 2.329 2.329 2.329 . 0 0 "[ ]" 1
881 1 60 ILE HA 1 63 LYS H . . 4.300 3.808 3.808 3.808 . 0 0 "[ ]" 1
882 1 53 SER H 1 53 SER HB2 . . 3.940 3.356 3.356 3.356 . 0 0 "[ ]" 1
883 1 53 SER HB2 1 54 GLU H . . 4.310 4.144 4.144 4.144 . 0 0 "[ ]" 1
884 1 39 CYS HB3 1 53 SER HB2 . . 4.820 2.727 2.727 2.727 . 0 0 "[ ]" 1
885 1 39 CYS HB2 1 53 SER HB2 . . 4.300 1.988 1.988 1.988 . 0 0 "[ ]" 1
886 1 37 THR MG 1 53 SER HB2 . . 4.240 3.268 3.268 3.268 . 0 0 "[ ]" 1
887 1 53 SER H 1 53 SER HB3 . . 3.810 2.126 2.126 2.126 . 0 0 "[ ]" 1
888 1 53 SER HB3 1 54 GLU H . . 4.110 3.143 3.143 3.143 . 0 0 "[ ]" 1
889 1 39 CYS HB2 1 53 SER HB3 . . 4.190 2.232 2.232 2.232 . 0 0 "[ ]" 1
890 1 53 SER HB3 1 54 GLU QB . . 4.910 4.548 4.548 4.548 . 0 0 "[ ]" 1
891 1 37 THR MG 1 53 SER HB3 . . 4.130 1.965 1.965 1.965 . 0 0 "[ ]" 1
892 1 52 ILE HA 1 53 SER HB3 . . 4.550 4.145 4.145 4.145 . 0 0 "[ ]" 1
893 1 81 VAL H 1 81 VAL HB . . 3.690 3.489 3.489 3.489 . 0 0 "[ ]" 1
894 1 81 VAL HB 1 83 ASN H . . 3.860 2.723 2.723 2.723 . 0 0 "[ ]" 1
895 1 63 LYS H 1 63 LYS HB3 . . 3.610 3.540 3.540 3.540 . 0 0 "[ ]" 1
896 1 63 LYS H 1 63 LYS HB2 . . 3.540 2.490 2.490 2.490 . 0 0 "[ ]" 1
897 1 63 LYS HB2 1 64 ASP H . . 4.090 2.509 2.509 2.509 . 0 0 "[ ]" 1
898 1 93 SER HB3 1 94 GLU H . . 4.220 3.615 3.615 3.615 . 0 0 "[ ]" 1
899 1 93 SER H 1 93 SER HB3 . . 3.310 3.289 3.289 3.289 . 0 0 "[ ]" 1
900 1 93 SER HB2 1 94 GLU H . . 4.640 4.541 4.541 4.541 . 0 0 "[ ]" 1
901 1 93 SER HB2 1 95 GLU H . . 4.530 4.126 4.126 4.126 . 0 0 "[ ]" 1
902 1 93 SER H 1 93 SER HB2 . . 3.250 2.204 2.204 2.204 . 0 0 "[ ]" 1
903 1 93 SER HB2 1 96 ASN HB3 . . 4.720 4.619 4.619 4.619 . 0 0 "[ ]" 1
904 1 93 SER HB2 1 96 ASN HB2 . . 4.280 3.001 3.001 3.001 . 0 0 "[ ]" 1
905 1 28 MET H 1 28 MET HG2 . . 4.390 2.909 2.909 2.909 . 0 0 "[ ]" 1
906 1 28 MET HA 1 28 MET HG2 . . 4.210 2.161 2.161 2.161 . 0 0 "[ ]" 1
907 1 106 PRO HB2 1 107 GLU H . . 3.850 3.164 3.164 3.164 . 0 0 "[ ]" 1
908 1 105 ARG QG 1 106 PRO HB2 . . 4.980 4.477 4.477 4.477 . 0 0 "[ ]" 1
909 1 57 PRO HB2 1 58 ASN H . . 4.350 3.649 3.649 3.649 . 0 0 "[ ]" 1
910 1 57 PRO HB3 1 58 ASN H . . 4.440 4.414 4.414 4.414 . 0 0 "[ ]" 1
911 1 106 PRO HB3 1 107 GLU H . . 3.830 3.647 3.647 3.647 . 0 0 "[ ]" 1
912 1 22 GLU QG 1 100 SER HB2 . . 4.570 4.417 4.417 4.417 . 0 0 "[ ]" 1
913 1 77 ASN H 1 100 SER HB2 . . 4.020 3.739 3.739 3.739 . 0 0 "[ ]" 1
914 1 100 SER H 1 100 SER HB2 . . 3.450 2.227 2.227 2.227 . 0 0 "[ ]" 1
915 1 77 ASN H 1 100 SER HB3 . . 4.040 3.612 3.612 3.612 . 0 0 "[ ]" 1
916 1 100 SER HB3 1 101 LEU H . . 4.160 4.147 4.147 4.147 . 0 0 "[ ]" 1
917 1 77 ASN HA 1 100 SER HB3 . . 3.680 2.993 2.993 2.993 . 0 0 "[ ]" 1
918 1 24 ASP QB 1 100 SER HB3 . . 4.830 4.863 4.863 4.863 0.033 1 0 "[ ]" 1
919 1 22 GLU QG 1 100 SER HB3 . . 4.490 2.810 2.810 2.810 . 0 0 "[ ]" 1
920 1 39 CYS HB3 1 40 TYR H . . 3.550 3.463 3.463 3.463 . 0 0 "[ ]" 1
921 1 39 CYS HB3 1 53 SER HB3 . . 4.670 3.404 3.404 3.404 . 0 0 "[ ]" 1
922 1 39 CYS H 1 39 CYS HB2 . . 4.210 3.272 3.272 3.272 . 0 0 "[ ]" 1
923 1 13 MET H 1 13 MET HG2 . . 4.420 4.289 4.289 4.289 . 0 0 "[ ]" 1
924 1 88 VAL H 1 88 VAL HB . . 3.180 2.256 2.256 2.256 . 0 0 "[ ]" 1
925 1 88 VAL HB 1 89 ALA H . . 3.550 2.622 2.622 2.622 . 0 0 "[ ]" 1
926 1 38 VAL QG 1 88 VAL HB . . 4.710 3.628 3.628 3.628 . 0 0 "[ ]" 1
927 1 41 ARG HB2 1 42 THR H . . 4.130 2.582 2.582 2.582 . 0 0 "[ ]" 1
928 1 41 ARG HB2 1 51 TYR QD . . 4.700 3.325 3.325 3.325 . 0 0 "[ ]" 1
929 1 41 ARG HB2 1 51 TYR QE . . 4.860 2.466 2.466 2.466 . 0 0 "[ ]" 1
930 1 27 ARG H 1 27 ARG HB3 . . 4.050 3.060 3.060 3.060 . 0 0 "[ ]" 1
931 1 27 ARG HB3 1 97 LYS HA . . 4.190 3.512 3.512 3.512 . 0 0 "[ ]" 1
932 1 41 ARG H 1 41 ARG HB3 . . 4.030 3.773 3.773 3.773 . 0 0 "[ ]" 1
933 1 41 ARG HB3 1 51 TYR QD . . 4.600 4.699 4.699 4.699 0.099 1 0 "[ ]" 1
934 1 41 ARG HB3 1 51 TYR QE . . 4.460 3.981 3.981 3.981 . 0 0 "[ ]" 1
935 1 27 ARG HB2 1 97 LYS HA . . 4.320 3.393 3.393 3.393 . 0 0 "[ ]" 1
936 1 27 ARG HB2 1 27 ARG HE . . 4.600 3.228 3.228 3.228 . 0 0 "[ ]" 1
937 1 27 ARG HB3 1 32 ASP QB . . 4.740 4.427 4.427 4.427 . 0 0 "[ ]" 1
938 1 27 ARG HB3 1 60 ILE MD . . 4.200 4.139 4.139 4.139 . 0 0 "[ ]" 1
939 1 105 ARG HB3 1 106 PRO HD2 . . 4.240 4.380 4.380 4.380 0.140 1 0 "[ ]" 1
940 1 105 ARG H 1 105 ARG HB3 . . 3.790 2.400 2.400 2.400 . 0 0 "[ ]" 1
941 1 105 ARG HB3 1 106 PRO HD3 . . 4.680 4.742 4.742 4.742 0.062 1 0 "[ ]" 1
942 1 105 ARG HB2 1 105 ARG HD3 . . 4.230 2.607 2.607 2.607 . 0 0 "[ ]" 1
943 1 105 ARG H 1 105 ARG HB2 . . 3.810 3.370 3.370 3.370 . 0 0 "[ ]" 1
944 1 105 ARG HB2 1 105 ARG HD2 . . 4.250 2.581 2.581 2.581 . 0 0 "[ ]" 1
945 1 30 SER HB3 1 31 GLN H . . 4.690 3.036 3.036 3.036 . 0 0 "[ ]" 1
946 1 15 ARG HB3 1 16 GLU HG2 . . 4.210 3.736 3.736 3.736 . 0 0 "[ ]" 1
947 1 82 GLN H 1 82 GLN HB3 . . 4.030 3.832 3.832 3.832 . 0 0 "[ ]" 1
948 1 82 GLN HB2 1 83 ASN H . . 4.290 4.016 4.016 4.016 . 0 0 "[ ]" 1
949 1 81 VAL HA 1 82 GLN HB2 . . 4.640 4.320 4.320 4.320 . 0 0 "[ ]" 1
950 1 82 GLN H 1 82 GLN HB2 . . 3.650 2.802 2.802 2.802 . 0 0 "[ ]" 1
951 1 15 ARG H 1 15 ARG HB2 . . 3.750 2.269 2.269 2.269 . 0 0 "[ ]" 1
952 1 15 ARG HB2 1 16 GLU H . . 4.140 4.080 4.080 4.080 . 0 0 "[ ]" 1
953 1 15 ARG HB3 1 15 ARG QG . . 2.660 2.566 2.566 2.566 . 0 0 "[ ]" 1
954 1 15 ARG HB3 1 16 GLU H . . 4.110 2.842 2.842 2.842 . 0 0 "[ ]" 1
955 1 23 VAL HA 1 24 ASP H . . 3.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
956 1 23 VAL HA 1 66 ARG HH12 . . 4.410 3.253 3.253 3.253 . 0 0 "[ ]" 1
957 1 23 VAL HA 1 24 ASP QB . . 4.620 4.634 4.634 4.634 0.014 1 0 "[ ]" 1
958 1 19 GLU H 1 19 GLU HB2 . . 3.470 2.596 2.596 2.596 . 0 0 "[ ]" 1
959 1 22 GLU H 1 22 GLU HB3 . . 3.470 2.901 2.901 2.901 . 0 0 "[ ]" 1
960 1 19 GLU H 1 19 GLU HB3 . . 3.430 3.424 3.424 3.424 . 0 0 "[ ]" 1
961 1 95 GLU H 1 95 GLU HB3 . . 3.400 3.712 3.712 3.712 0.312 1 0 "[ ]" 1
962 1 22 GLU HB2 1 23 VAL H . . 4.560 4.628 4.628 4.628 0.068 1 0 "[ ]" 1
963 1 22 GLU H 1 22 GLU HB2 . . 3.500 2.187 2.187 2.187 . 0 0 "[ ]" 1
964 1 21 GLU HA 1 22 GLU HB2 . . 4.740 4.273 4.273 4.273 . 0 0 "[ ]" 1
965 1 84 ARG HB2 1 88 VAL QG . . 4.810 5.293 5.293 5.293 0.483 1 0 "[ ]" 1
966 1 50 ILE MD 1 84 ARG HB2 . . 4.730 3.852 3.852 3.852 . 0 0 "[ ]" 1
967 1 84 ARG H 1 84 ARG HB2 . . 3.840 2.699 2.699 2.699 . 0 0 "[ ]" 1
968 1 84 ARG HB3 1 85 GLU H . . 4.600 2.369 2.369 2.369 . 0 0 "[ ]" 1
969 1 40 TYR QE 1 84 ARG HB3 . . 4.910 3.297 3.297 3.297 . 0 0 "[ ]" 1
970 1 50 ILE MD 1 84 ARG HB3 . . 4.690 4.766 4.766 4.766 0.076 1 0 "[ ]" 1
971 1 86 GLU QB 1 87 ALA MB . . 4.490 3.855 3.855 3.855 . 0 0 "[ ]" 1
972 1 82 GLN H 1 86 GLU QB . . 4.390 3.265 3.265 3.265 . 0 0 "[ ]" 1
973 1 83 ASN H 1 86 GLU QB . . 3.590 3.210 3.210 3.210 . 0 0 "[ ]" 1
974 1 86 GLU QB 1 87 ALA H . . 3.400 2.606 2.606 2.606 . 0 0 "[ ]" 1
975 1 83 ASN HB2 1 86 GLU QB . . 4.240 2.217 2.217 2.217 . 0 0 "[ ]" 1
976 1 86 GLU H 1 86 GLU QB . . 2.970 2.022 2.022 2.022 . 0 0 "[ ]" 1
977 1 17 GLU HB2 1 18 LEU H . . 3.970 4.091 4.091 4.091 0.121 1 0 "[ ]" 1
978 1 107 GLU HB3 1 108 LEU H . . 3.890 3.790 3.790 3.790 . 0 0 "[ ]" 1
979 1 22 GLU HB3 1 102 LEU MD2 . . 4.180 4.183 4.183 4.183 0.003 1 0 "[ ]" 1
980 1 106 PRO HA 1 107 GLU HB2 . . 4.520 4.210 4.210 4.210 . 0 0 "[ ]" 1
981 1 81 VAL HA 1 82 GLN QG . . 4.150 3.690 3.690 3.690 . 0 0 "[ ]" 1
982 1 81 VAL HA 1 82 GLN H . . 2.870 2.382 2.382 2.382 . 0 0 "[ ]" 1
983 1 81 VAL HA 1 83 ASN H . . 4.120 3.868 3.868 3.868 . 0 0 "[ ]" 1
984 1 81 VAL HA 1 86 GLU HG3 . . 4.690 4.727 4.727 4.727 0.037 1 0 "[ ]" 1
985 1 81 VAL HA 1 86 GLU QB . . 4.230 3.777 3.777 3.777 . 0 0 "[ ]" 1
986 1 94 GLU H 1 94 GLU HB3 . . 3.840 3.200 3.200 3.200 . 0 0 "[ ]" 1
987 1 94 GLU HB3 1 95 GLU H . . 4.570 4.378 4.378 4.378 . 0 0 "[ ]" 1
988 1 94 GLU H 1 94 GLU HB2 . . 3.490 2.118 2.118 2.118 . 0 0 "[ ]" 1
989 1 42 THR HA 1 43 ASP H . . 3.600 3.366 3.366 3.366 . 0 0 "[ ]" 1
990 1 42 THR HA 1 44 ASP H . . 4.520 3.220 3.220 3.220 . 0 0 "[ ]" 1
991 1 92 THR HA 1 92 THR MG . . 3.370 2.641 2.641 2.641 . 0 0 "[ ]" 1
992 1 67 ILE HA 1 68 ARG H . . 3.080 2.350 2.350 2.350 . 0 0 "[ ]" 1
993 1 67 ILE HA 1 68 ARG HA . . 4.770 4.408 4.408 4.408 . 0 0 "[ ]" 1
994 1 67 ILE HA 1 67 ILE HG12 . . 3.710 2.572 2.572 2.572 . 0 0 "[ ]" 1
995 1 67 ILE HA 1 103 ILE MD . . 3.760 3.241 3.241 3.241 . 0 0 "[ ]" 1
996 1 67 ILE HA 1 68 ARG QG . . 4.290 4.304 4.304 4.304 0.014 1 0 "[ ]" 1
997 1 45 GLU HB2 1 46 ASP H . . 4.230 3.418 3.418 3.418 . 0 0 "[ ]" 1
998 1 45 GLU HB3 1 46 ASP H . . 4.220 4.098 4.098 4.098 . 0 0 "[ ]" 1
999 1 73 ILE HA 1 74 ILE H . . 3.160 2.222 2.222 2.222 . 0 0 "[ ]" 1
1000 1 73 ILE HA 1 75 GLN H . . 4.140 4.157 4.157 4.157 0.017 1 0 "[ ]" 1
1001 1 9 ILE HA 1 9 ILE HG12 . . 4.110 3.929 3.929 3.929 . 0 0 "[ ]" 1
1002 1 9 ILE HA 1 9 ILE HG13 . . 4.170 3.584 3.584 3.584 . 0 0 "[ ]" 1
1003 1 9 ILE HA 1 9 ILE MG . . 3.060 2.319 2.319 2.319 . 0 0 "[ ]" 1
1004 1 9 ILE HA 1 10 HIS H . . 3.290 2.400 2.400 2.400 . 0 0 "[ ]" 1
1005 1 109 GLN H 1 109 GLN HB2 . . 3.280 3.068 3.068 3.068 . 0 0 "[ ]" 1
1006 1 67 ILE HG13 1 68 ARG H . . 4.840 4.825 4.825 4.825 . 0 0 "[ ]" 1
1007 1 73 ILE HA 1 74 ILE QG . . 4.100 3.780 3.780 3.780 . 0 0 "[ ]" 1
1008 1 27 ARG HG2 1 30 SER HA . . 3.840 2.929 2.929 2.929 . 0 0 "[ ]" 1
1009 1 27 ARG HE 1 30 SER HA . . 4.630 2.096 2.096 2.096 . 0 0 "[ ]" 1
1010 1 85 GLU HA 1 89 ALA H . . 4.600 3.797 3.797 3.797 . 0 0 "[ ]" 1
1011 1 85 GLU HA 1 88 VAL H . . 3.890 3.439 3.439 3.439 . 0 0 "[ ]" 1
1012 1 85 GLU HA 1 87 ALA H . . 4.750 4.485 4.485 4.485 . 0 0 "[ ]" 1
1013 1 85 GLU HA 1 85 GLU HG3 . . 3.400 3.559 3.559 3.559 0.159 1 0 "[ ]" 1
1014 1 85 GLU HA 1 88 VAL HB . . 3.340 2.918 2.918 2.918 . 0 0 "[ ]" 1
1015 1 84 ARG HG2 1 85 GLU HA . . 4.410 3.235 3.235 3.235 . 0 0 "[ ]" 1
1016 1 84 ARG HG3 1 85 GLU HA . . 4.790 3.802 3.802 3.802 . 0 0 "[ ]" 1
1017 1 10 HIS HB2 1 11 GLN H . . 4.870 4.470 4.470 4.470 . 0 0 "[ ]" 1
1018 1 109 GLN H 1 109 GLN HB3 . . 3.790 3.817 3.817 3.817 0.027 1 0 "[ ]" 1
1019 1 109 GLN HB3 1 110 LEU H . . 4.110 3.534 3.534 3.534 . 0 0 "[ ]" 1
1020 1 63 LYS H 1 63 LYS HD3 . . 4.610 4.697 4.697 4.697 0.087 1 0 "[ ]" 1
1021 1 63 LYS HA 1 63 LYS HD3 . . 4.250 3.553 3.553 3.553 . 0 0 "[ ]" 1
1022 1 63 LYS HA 1 63 LYS HD2 . . 4.350 4.242 4.242 4.242 . 0 0 "[ ]" 1
1023 1 60 ILE HA 1 63 LYS HD2 . . 4.590 4.264 4.264 4.264 . 0 0 "[ ]" 1
1024 1 67 ILE HA 1 67 ILE HG13 . . 3.930 2.787 2.787 2.787 . 0 0 "[ ]" 1
1025 1 67 ILE H 1 67 ILE HG13 . . 4.270 1.933 1.933 1.933 . 0 0 "[ ]" 1
1026 1 72 ARG HE 1 74 ILE HA . . 4.710 4.155 4.155 4.155 . 0 0 "[ ]" 1
1027 1 74 ILE HA 1 74 ILE QG . . 3.630 3.056 3.056 3.056 . 0 0 "[ ]" 1
1028 1 80 GLU H 1 80 GLU HB3 . . 3.380 3.404 3.404 3.404 0.024 1 0 "[ ]" 1
1029 1 80 GLU HB3 1 81 VAL H . . 4.280 3.972 3.972 3.972 . 0 0 "[ ]" 1
1030 1 79 ILE MG 1 80 GLU HB3 . . 4.550 4.548 4.548 4.548 . 0 0 "[ ]" 1
1031 1 80 GLU H 1 80 GLU HB2 . . 3.350 2.189 2.189 2.189 . 0 0 "[ ]" 1
1032 1 33 LYS HA 1 33 LYS QD . . 4.000 4.059 4.059 4.059 0.059 1 0 "[ ]" 1
1033 1 33 LYS QD 1 35 GLY HA3 . . 4.990 2.604 2.604 2.604 . 0 0 "[ ]" 1
1034 1 33 LYS H 1 33 LYS QD . . 4.660 3.869 3.869 3.869 . 0 0 "[ ]" 1
1035 1 97 LYS HA 1 97 LYS QD . . 3.860 3.537 3.537 3.537 . 0 0 "[ ]" 1
1036 1 69 GLU HB3 1 70 GLY H . . 4.240 3.491 3.491 3.491 . 0 0 "[ ]" 1
1037 1 69 GLU H 1 69 GLU HB3 . . 3.470 3.579 3.579 3.579 0.109 1 0 "[ ]" 1
1038 1 55 ILE MG 1 69 GLU HB3 . . 4.710 4.355 4.355 4.355 . 0 0 "[ ]" 1
1039 1 69 GLU HB2 1 70 GLY H . . 4.280 4.316 4.316 4.316 0.036 1 0 "[ ]" 1
1040 1 68 ARG HA 1 69 GLU HB2 . . 5.360 5.192 5.192 5.192 . 0 0 "[ ]" 1
1041 1 52 ILE MG 1 69 GLU HB2 . . 4.670 4.717 4.717 4.717 0.047 1 0 "[ ]" 1
1042 1 76 ILE HA 1 101 LEU HG . . 4.730 4.410 4.410 4.410 . 0 0 "[ ]" 1
1043 1 99 PHE HB3 1 101 LEU HG . . 4.490 4.230 4.230 4.230 . 0 0 "[ ]" 1
1044 1 39 CYS H 1 52 ILE HA . . 4.620 3.940 3.940 3.940 . 0 0 "[ ]" 1
1045 1 52 ILE HA 1 53 SER H . . 3.220 2.179 2.179 2.179 . 0 0 "[ ]" 1
1046 1 31 GLN H 1 31 GLN HB2 . . 3.670 2.118 2.118 2.118 . 0 0 "[ ]" 1
1047 1 31 GLN HB2 1 32 ASP H . . 4.640 3.958 3.958 3.958 . 0 0 "[ ]" 1
1048 1 31 GLN HB3 1 32 ASP H . . 4.450 3.370 3.370 3.370 . 0 0 "[ ]" 1
1049 1 101 LEU HG 1 102 LEU H . . 4.720 4.782 4.782 4.782 0.062 1 0 "[ ]" 1
1050 1 101 LEU H 1 101 LEU HG . . 3.900 3.946 3.946 3.946 0.046 1 0 "[ ]" 1
1051 1 85 GLU H 1 85 GLU HB2 . . 3.450 2.488 2.488 2.488 . 0 0 "[ ]" 1
1052 1 85 GLU H 1 85 GLU HB3 . . 3.660 3.559 3.559 3.559 . 0 0 "[ ]" 1
1053 1 60 ILE H 1 60 ILE QG . . 3.700 1.944 1.944 1.944 . 0 0 "[ ]" 1
1054 1 34 LEU HA 1 60 ILE QG . . 4.140 3.295 3.295 3.295 . 0 0 "[ ]" 1
1055 1 32 ASP QB 1 60 ILE QG . . 4.380 2.031 2.031 2.031 . 0 0 "[ ]" 1
1056 1 60 ILE QG 1 60 ILE MG . . 3.100 2.500 2.500 2.500 . 0 0 "[ ]" 1
1057 1 34 LEU QD 1 60 ILE QG . . 4.910 3.547 3.547 3.547 . 0 0 "[ ]" 1
1058 1 55 ILE HG13 1 69 GLU HA . . 4.930 4.690 4.690 4.690 . 0 0 "[ ]" 1
1059 1 79 ILE HA 1 80 GLU H . . 2.790 2.306 2.306 2.306 . 0 0 "[ ]" 1
1060 1 79 ILE HA 1 80 GLU HA . . 4.540 4.295 4.295 4.295 . 0 0 "[ ]" 1
1061 1 79 ILE HA 1 80 GLU HB2 . . 4.210 4.239 4.239 4.239 0.029 1 0 "[ ]" 1
1062 1 79 ILE HA 1 79 ILE HG13 . . 3.770 3.284 3.284 3.284 . 0 0 "[ ]" 1
1063 1 79 ILE HA 1 79 ILE HG12 . . 3.590 2.212 2.212 2.212 . 0 0 "[ ]" 1
1064 1 84 ARG HA 1 87 ALA H . . 4.170 3.375 3.375 3.375 . 0 0 "[ ]" 1
1065 1 84 ARG HA 1 87 ALA MB . . 3.260 2.321 2.321 2.321 . 0 0 "[ ]" 1
1066 1 84 ARG HA 1 84 ARG HG3 . . 3.370 2.648 2.648 2.648 . 0 0 "[ ]" 1
1067 1 50 ILE HG13 1 84 ARG HA . . 4.130 2.599 2.599 2.599 . 0 0 "[ ]" 1
1068 1 50 ILE MD 1 84 ARG HA . . 3.430 3.083 3.083 3.083 . 0 0 "[ ]" 1
1069 1 55 ILE HA 1 55 ILE HG13 . . 3.910 3.517 3.517 3.517 . 0 0 "[ ]" 1
1070 1 55 ILE H 1 55 ILE HG12 . . 4.640 4.574 4.574 4.574 . 0 0 "[ ]" 1
1071 1 55 ILE HA 1 55 ILE HG12 . . 4.070 2.242 2.242 2.242 . 0 0 "[ ]" 1
1072 1 55 ILE HG12 1 69 GLU QG . . 4.700 4.261 4.261 4.261 . 0 0 "[ ]" 1
1073 1 105 ARG HA 1 106 PRO HG2 . . 4.630 4.497 4.497 4.497 . 0 0 "[ ]" 1
1074 1 105 ARG HA 1 106 PRO HG3 . . 4.710 4.222 4.222 4.222 . 0 0 "[ ]" 1
1075 1 50 ILE H 1 50 ILE HG12 . . 4.040 4.120 4.120 4.120 0.080 1 0 "[ ]" 1
1076 1 50 ILE HA 1 50 ILE HG12 . . 4.210 3.533 3.533 3.533 . 0 0 "[ ]" 1
1077 1 50 ILE HG12 1 84 ARG HA . . 4.540 2.164 2.164 2.164 . 0 0 "[ ]" 1
1078 1 50 ILE H 1 50 ILE HG13 . . 4.100 3.848 3.848 3.848 . 0 0 "[ ]" 1
1079 1 50 ILE HA 1 50 ILE HG13 . . 4.250 2.246 2.246 2.246 . 0 0 "[ ]" 1
1080 1 18 LEU QD 1 106 PRO HG2 . . 4.910 4.563 4.563 4.563 . 0 0 "[ ]" 1
1081 1 66 ARG HA 1 66 ARG HG2 . . 4.130 3.117 3.117 3.117 . 0 0 "[ ]" 1
1082 1 66 ARG H 1 66 ARG HG2 . . 4.400 4.047 4.047 4.047 . 0 0 "[ ]" 1
1083 1 27 ARG HG3 1 97 LYS HA . . 5.500 5.746 5.746 5.746 0.246 1 0 "[ ]" 1
1084 1 66 ARG H 1 66 ARG HG3 . . 4.250 2.889 2.889 2.889 . 0 0 "[ ]" 1
1085 1 66 ARG HA 1 66 ARG HG3 . . 4.220 2.170 2.170 2.170 . 0 0 "[ ]" 1
1086 1 76 ILE HA 1 76 ILE HG12 . . 3.890 2.458 2.458 2.458 . 0 0 "[ ]" 1
1087 1 52 ILE H 1 52 ILE HG12 . . 3.740 2.179 2.179 2.179 . 0 0 "[ ]" 1
1088 1 51 TYR HA 1 52 ILE HG12 . . 4.350 3.357 3.357 3.357 . 0 0 "[ ]" 1
1089 1 52 ILE HA 1 52 ILE HG12 . . 4.160 2.757 2.757 2.757 . 0 0 "[ ]" 1
1090 1 52 ILE HG12 1 71 ASP HB2 . . 4.170 3.358 3.358 3.358 . 0 0 "[ ]" 1
1091 1 73 ILE HG12 1 73 ILE MG . . 2.850 2.080 2.080 2.080 . 0 0 "[ ]" 1
1092 1 73 ILE H 1 73 ILE HG12 . . 3.880 4.128 4.128 4.128 0.248 1 0 "[ ]" 1
1093 1 84 ARG HA 1 84 ARG HG2 . . 4.070 3.703 3.703 3.703 . 0 0 "[ ]" 1
1094 1 84 ARG H 1 84 ARG HG3 . . 4.400 4.369 4.369 4.369 . 0 0 "[ ]" 1
1095 1 52 ILE H 1 52 ILE HG13 . . 3.900 3.169 3.169 3.169 . 0 0 "[ ]" 1
1096 1 52 ILE HA 1 52 ILE HG13 . . 4.180 3.804 3.804 3.804 . 0 0 "[ ]" 1
1097 1 52 ILE HG13 1 71 ASP HB2 . . 4.460 1.981 1.981 1.981 . 0 0 "[ ]" 1
1098 1 76 ILE H 1 76 ILE HG13 . . 4.720 2.998 2.998 2.998 . 0 0 "[ ]" 1
1099 1 76 ILE HA 1 76 ILE HG13 . . 4.200 2.983 2.983 2.983 . 0 0 "[ ]" 1
1100 1 73 ILE HA 1 73 ILE HG13 . . 3.920 2.162 2.162 2.162 . 0 0 "[ ]" 1
1101 1 57 PRO HG2 1 58 ASN H . . 4.750 3.268 3.268 3.268 . 0 0 "[ ]" 1
1102 1 57 PRO HG3 1 58 ASN H . . 4.650 4.358 4.358 4.358 . 0 0 "[ ]" 1
1103 1 90 LEU H 1 90 LEU HG . . 3.460 3.521 3.521 3.521 0.061 1 0 "[ ]" 1
1104 1 90 LEU HA 1 90 LEU HG . . 3.810 2.273 2.273 2.273 . 0 0 "[ ]" 1
1105 1 20 LEU H 1 20 LEU HG . . 3.430 2.964 2.964 2.964 . 0 0 "[ ]" 1
1106 1 20 LEU HA 1 20 LEU HG . . 4.080 2.975 2.975 2.975 . 0 0 "[ ]" 1
1107 1 41 ARG H 1 41 ARG HG2 . . 4.380 3.738 3.738 3.738 . 0 0 "[ ]" 1
1108 1 41 ARG HG2 1 42 THR H . . 4.550 4.748 4.748 4.748 0.198 1 0 "[ ]" 1
1109 1 41 ARG HA 1 41 ARG HG2 . . 3.720 2.219 2.219 2.219 . 0 0 "[ ]" 1
1110 1 48 ILE H 1 48 ILE HG12 . . 3.590 3.631 3.631 3.631 0.041 1 0 "[ ]" 1
1111 1 41 ARG H 1 41 ARG HG3 . . 4.580 3.739 3.739 3.739 . 0 0 "[ ]" 1
1112 1 75 GLN H 1 102 LEU HG . . 4.850 4.460 4.460 4.460 . 0 0 "[ ]" 1
1113 1 102 LEU HA 1 102 LEU HG . . 4.130 2.552 2.552 2.552 . 0 0 "[ ]" 1
1114 1 102 LEU H 1 102 LEU HG . . 4.720 3.942 3.942 3.942 . 0 0 "[ ]" 1
1115 1 34 LEU HG 1 36 LEU H . . 4.630 5.146 5.146 5.146 0.516 1 1 [+] 1
1116 1 34 LEU HB2 1 34 LEU HG . . 3.000 2.331 2.331 2.331 . 0 0 "[ ]" 1
1117 1 48 ILE HG13 1 49 GLY H . . 4.820 4.400 4.400 4.400 . 0 0 "[ ]" 1
1118 1 48 ILE H 1 48 ILE HG13 . . 3.620 2.252 2.252 2.252 . 0 0 "[ ]" 1
1119 1 42 THR HA 1 48 ILE HG13 . . 4.670 2.905 2.905 2.905 . 0 0 "[ ]" 1
1120 1 48 ILE HA 1 48 ILE HG13 . . 4.080 2.475 2.475 2.475 . 0 0 "[ ]" 1
1121 1 72 ARG HG2 1 73 ILE H . . 4.290 3.348 3.348 3.348 . 0 0 "[ ]" 1
1122 1 72 ARG HE 1 72 ARG HG2 . . 4.230 2.169 2.169 2.169 . 0 0 "[ ]" 1
1123 1 72 ARG HA 1 72 ARG HG3 . . 4.150 2.550 2.550 2.550 . 0 0 "[ ]" 1
1124 1 93 SER HA 1 94 GLU HB2 . . 4.520 4.175 4.175 4.175 . 0 0 "[ ]" 1
1125 1 66 ARG HA 1 66 ARG HD3 . . 4.600 4.630 4.630 4.630 0.030 1 0 "[ ]" 1
1126 1 66 ARG HA 1 66 ARG HD2 . . 4.540 4.480 4.480 4.480 . 0 0 "[ ]" 1
1127 1 23 VAL MG1 1 66 ARG HA . . 4.830 4.453 4.453 4.453 . 0 0 "[ ]" 1
1128 1 23 VAL MG2 1 66 ARG HA . . 4.930 4.981 4.981 4.981 0.051 1 0 "[ ]" 1
1129 1 86 GLU HA 1 89 ALA H . . 4.070 3.013 3.013 3.013 . 0 0 "[ ]" 1
1130 1 86 GLU HA 1 86 GLU HG3 . . 3.650 2.777 2.777 2.777 . 0 0 "[ ]" 1
1131 1 86 GLU HA 1 89 ALA MB . . 3.260 2.002 2.002 2.002 . 0 0 "[ ]" 1
1132 1 86 GLU HA 1 87 ALA MB . . 4.970 4.987 4.987 4.987 0.017 1 0 "[ ]" 1
1133 1 86 GLU HA 1 90 LEU MD1 . . 4.480 4.527 4.527 4.527 0.047 1 0 "[ ]" 1
1134 1 85 GLU HB3 1 86 GLU HA . . 4.620 4.177 4.177 4.177 . 0 0 "[ ]" 1
1135 1 69 GLU HA 1 70 GLY H . . 3.050 2.207 2.207 2.207 . 0 0 "[ ]" 1
1136 1 69 GLU HA 1 71 ASP H . . 4.140 3.606 3.606 3.606 . 0 0 "[ ]" 1
1137 1 68 ARG HA 1 69 GLU HA . . 4.220 4.314 4.314 4.314 0.094 1 0 "[ ]" 1
1138 1 15 ARG QG 1 16 GLU H . . 4.210 4.052 4.052 4.052 . 0 0 "[ ]" 1
1139 1 79 ILE H 1 79 ILE HG13 . . 3.650 3.115 3.115 3.115 . 0 0 "[ ]" 1
1140 1 74 ILE H 1 74 ILE QG . . 3.430 2.821 2.821 2.821 . 0 0 "[ ]" 1
1141 1 79 ILE HG12 1 80 GLU H . . 4.650 4.101 4.101 4.101 . 0 0 "[ ]" 1
1142 1 79 ILE H 1 79 ILE HG12 . . 3.730 3.620 3.620 3.620 . 0 0 "[ ]" 1
1143 1 38 VAL HA 1 39 CYS H . . 3.240 2.460 2.460 2.460 . 0 0 "[ ]" 1
1144 1 38 VAL HA 1 53 SER H . . 3.710 2.181 2.181 2.181 . 0 0 "[ ]" 1
1145 1 38 VAL HA 1 52 ILE HA . . 3.680 2.305 2.305 2.305 . 0 0 "[ ]" 1
1146 1 38 VAL HA 1 54 GLU H . . 4.950 4.160 4.160 4.160 . 0 0 "[ ]" 1
1147 1 63 LYS HA 1 63 LYS HB3 . . 2.970 2.467 2.467 2.467 . 0 0 "[ ]" 1
1148 1 63 LYS HA 1 63 LYS HG2 . . 3.070 2.337 2.337 2.337 . 0 0 "[ ]" 1
1149 1 68 ARG H 1 68 ARG QG . . 3.740 3.641 3.641 3.641 . 0 0 "[ ]" 1
1150 1 68 ARG HA 1 68 ARG QG . . 3.250 2.198 2.198 2.198 . 0 0 "[ ]" 1
1151 1 34 LEU HA 1 60 ILE H . . 4.070 3.701 3.701 3.701 . 0 0 "[ ]" 1
1152 1 34 LEU HA 1 34 LEU HG . . 3.880 3.742 3.742 3.742 . 0 0 "[ ]" 1
1153 1 34 LEU HA 1 61 ALA H . . 4.090 3.154 3.154 3.154 . 0 0 "[ ]" 1
1154 1 91 LEU HA 1 91 LEU HG . . 4.250 3.716 3.716 3.716 . 0 0 "[ ]" 1
1155 1 55 ILE MG 1 68 ARG QG . . 4.890 2.898 2.898 2.898 . 0 0 "[ ]" 1
1156 1 103 ILE H 1 103 ILE HG13 . . 3.710 2.127 2.127 2.127 . 0 0 "[ ]" 1
1157 1 21 GLU H 1 103 ILE HG13 . . 4.080 3.068 3.068 3.068 . 0 0 "[ ]" 1
1158 1 102 LEU HA 1 103 ILE HG13 . . 4.700 3.685 3.685 3.685 . 0 0 "[ ]" 1
1159 1 21 GLU HB3 1 103 ILE HG13 . . 3.800 2.668 2.668 2.668 . 0 0 "[ ]" 1
1160 1 103 ILE H 1 103 ILE HG12 . . 3.620 3.360 3.360 3.360 . 0 0 "[ ]" 1
1161 1 102 LEU HA 1 103 ILE HG12 . . 4.530 4.149 4.149 4.149 . 0 0 "[ ]" 1
1162 1 76 ILE H 1 90 LEU MD1 . . 4.760 3.817 3.817 3.817 . 0 0 "[ ]" 1
1163 1 90 LEU HA 1 90 LEU MD1 . . 4.320 3.685 3.685 3.685 . 0 0 "[ ]" 1
1164 1 25 LEU H 1 25 LEU MD1 . . 3.980 3.938 3.938 3.938 . 0 0 "[ ]" 1
1165 1 25 LEU MD1 1 26 TYR H . . 4.760 4.356 4.356 4.356 . 0 0 "[ ]" 1
1166 1 25 LEU MD1 1 61 ALA H . . 4.830 3.810 3.810 3.810 . 0 0 "[ ]" 1
1167 1 25 LEU MD1 1 99 PHE QD . . 4.940 3.906 3.906 3.906 . 0 0 "[ ]" 1
1168 1 25 LEU HA 1 25 LEU MD1 . . 4.040 3.954 3.954 3.954 . 0 0 "[ ]" 1
1169 1 25 LEU MD1 1 61 ALA HA . . 3.770 3.166 3.166 3.166 . 0 0 "[ ]" 1
1170 1 25 LEU MD1 1 99 PHE HB2 . . 4.250 2.527 2.527 2.527 . 0 0 "[ ]" 1
1171 1 25 LEU MD1 1 99 PHE HB3 . . 4.310 2.539 2.539 2.539 . 0 0 "[ ]" 1
1172 1 25 LEU HB2 1 25 LEU MD1 . . 3.210 2.304 2.304 2.304 . 0 0 "[ ]" 1
1173 1 25 LEU HB3 1 25 LEU MD1 . . 3.230 2.461 2.461 2.461 . 0 0 "[ ]" 1
1174 1 25 LEU MD1 1 34 LEU QD . . 3.290 1.950 1.950 1.950 . 0 0 "[ ]" 1
1175 1 103 ILE HA 1 104 ALA H . . 3.070 2.336 2.336 2.336 . 0 0 "[ ]" 1
1176 1 73 ILE HA 1 103 ILE HA . . 3.660 2.691 2.691 2.691 . 0 0 "[ ]" 1
1177 1 74 ILE QG 1 103 ILE HA . . 3.660 3.377 3.377 3.377 . 0 0 "[ ]" 1
1178 1 87 ALA HA 1 90 LEU MD1 . . 3.870 3.824 3.824 3.824 . 0 0 "[ ]" 1
1179 1 79 ILE HB 1 90 LEU MD1 . . 3.630 2.712 2.712 2.712 . 0 0 "[ ]" 1
1180 1 76 ILE HB 1 90 LEU MD1 . . 3.420 2.174 2.174 2.174 . 0 0 "[ ]" 1
1181 1 91 LEU HA 1 101 LEU MD1 . . 4.670 3.962 3.962 3.962 . 0 0 "[ ]" 1
1182 1 99 PHE HB2 1 101 LEU MD1 . . 4.370 4.066 4.066 4.066 . 0 0 "[ ]" 1
1183 1 114 TRP HA 1 114 TRP HE3 . . 4.530 3.586 3.586 3.586 . 0 0 "[ ]" 1
1184 1 114 TRP QB 1 114 TRP HE3 . . 3.800 2.483 2.483 2.483 . 0 0 "[ ]" 1
1185 1 77 ASN H 1 101 LEU MD1 . . 4.420 2.839 2.839 2.839 . 0 0 "[ ]" 1
1186 1 99 PHE QD 1 101 LEU MD1 . . 4.190 2.804 2.804 2.804 . 0 0 "[ ]" 1
1187 1 101 LEU HA 1 101 LEU MD1 . . 3.360 2.028 2.028 2.028 . 0 0 "[ ]" 1
1188 1 76 ILE HA 1 101 LEU MD1 . . 3.720 2.059 2.059 2.059 . 0 0 "[ ]" 1
1189 1 99 PHE HB3 1 101 LEU MD1 . . 3.970 2.640 2.640 2.640 . 0 0 "[ ]" 1
1190 1 101 LEU HB2 1 101 LEU MD1 . . 3.520 3.155 3.155 3.155 . 0 0 "[ ]" 1
1191 1 76 ILE HG12 1 101 LEU MD1 . . 3.600 2.216 2.216 2.216 . 0 0 "[ ]" 1
1192 1 101 LEU H 1 101 LEU MD1 . . 4.330 2.514 2.514 2.514 . 0 0 "[ ]" 1
1193 1 94 GLU HA 1 94 GLU HG3 . . 3.650 3.029 3.029 3.029 . 0 0 "[ ]" 1
1194 1 25 LEU H 1 101 LEU MD2 . . 4.370 4.396 4.396 4.396 0.026 1 0 "[ ]" 1
1195 1 101 LEU H 1 101 LEU MD2 . . 3.780 2.187 2.187 2.187 . 0 0 "[ ]" 1
1196 1 100 SER H 1 101 LEU MD2 . . 4.730 4.103 4.103 4.103 . 0 0 "[ ]" 1
1197 1 99 PHE QD 1 101 LEU MD2 . . 4.410 3.742 3.742 3.742 . 0 0 "[ ]" 1
1198 1 76 ILE HA 1 101 LEU MD2 . . 4.770 4.773 4.773 4.773 0.003 1 0 "[ ]" 1
1199 1 99 PHE HB2 1 101 LEU MD2 . . 3.850 3.105 3.105 3.105 . 0 0 "[ ]" 1
1200 1 99 PHE HB3 1 101 LEU MD2 . . 3.600 2.120 2.120 2.120 . 0 0 "[ ]" 1
1201 1 101 LEU HB2 1 101 LEU MD2 . . 3.200 2.000 2.000 2.000 . 0 0 "[ ]" 1
1202 1 25 LEU HG 1 101 LEU MD2 . . 3.630 2.931 2.931 2.931 . 0 0 "[ ]" 1
1203 1 91 LEU H 1 91 LEU MD2 . . 4.160 1.886 1.886 1.886 . 0 0 "[ ]" 1
1204 1 45 GLU HA 1 45 GLU QG . . 3.080 2.298 2.298 2.298 . 0 0 "[ ]" 1
1205 1 44 ASP H 1 45 GLU HA . . 4.360 4.352 4.352 4.352 . 0 0 "[ ]" 1
1206 1 63 LYS H 1 63 LYS HG3 . . 3.800 2.442 2.442 2.442 . 0 0 "[ ]" 1
1207 1 63 LYS HA 1 63 LYS HG3 . . 3.760 3.508 3.508 3.508 . 0 0 "[ ]" 1
1208 1 63 LYS QE 1 63 LYS HG3 . . 3.900 2.169 2.169 2.169 . 0 0 "[ ]" 1
1209 1 63 LYS H 1 63 LYS HG2 . . 4.080 2.613 2.613 2.613 . 0 0 "[ ]" 1
1210 1 20 LEU MD1 1 21 GLU H . . 4.260 4.392 4.392 4.392 0.132 1 0 "[ ]" 1
1211 1 20 LEU HA 1 20 LEU MD1 . . 3.970 3.884 3.884 3.884 . 0 0 "[ ]" 1
1212 1 20 LEU HB3 1 20 LEU MD1 . . 2.990 2.390 2.390 2.390 . 0 0 "[ ]" 1
1213 1 101 LEU HA 1 101 LEU MD2 . . 3.920 3.613 3.613 3.613 . 0 0 "[ ]" 1
1214 1 36 LEU HB2 1 36 LEU QD . . 3.260 1.941 1.941 1.941 . 0 0 "[ ]" 1
1215 1 91 LEU HA 1 91 LEU MD2 . . 4.120 2.183 2.183 2.183 . 0 0 "[ ]" 1
1216 1 91 LEU HB2 1 91 LEU MD2 . . 3.230 2.604 2.604 2.604 . 0 0 "[ ]" 1
1217 1 25 LEU MD2 1 64 ASP HA . . 4.690 4.658 4.658 4.658 . 0 0 "[ ]" 1
1218 1 27 ARG HE 1 97 LYS HA . . 4.780 4.386 4.386 4.386 . 0 0 "[ ]" 1
1219 1 97 LYS HA 1 97 LYS HG2 . . 3.900 1.991 1.991 1.991 . 0 0 "[ ]" 1
1220 1 97 LYS HA 1 99 PHE QE . . 4.700 3.711 3.711 3.711 . 0 0 "[ ]" 1
1221 1 97 LYS H 1 97 LYS HG2 . . 4.690 4.277 4.277 4.277 . 0 0 "[ ]" 1
1222 1 97 LYS H 1 97 LYS HG3 . . 4.640 4.305 4.305 4.305 . 0 0 "[ ]" 1
1223 1 97 LYS HA 1 97 LYS HG3 . . 3.710 3.063 3.063 3.063 . 0 0 "[ ]" 1
1224 1 20 LEU MD1 1 104 ALA HA . . 4.470 4.602 4.602 4.602 0.132 1 0 "[ ]" 1
1225 1 18 LEU HA 1 18 LEU QD . . 2.940 2.101 2.101 2.101 . 0 0 "[ ]" 1
1226 1 14 ASP HB3 1 18 LEU QD . . 4.830 4.278 4.278 4.278 . 0 0 "[ ]" 1
1227 1 74 ILE H 1 102 LEU MD1 . . 4.220 4.280 4.280 4.280 0.060 1 0 "[ ]" 1
1228 1 102 LEU H 1 102 LEU MD1 . . 4.530 4.275 4.275 4.275 . 0 0 "[ ]" 1
1229 1 75 GLN H 1 102 LEU MD1 . . 4.060 3.038 3.038 3.038 . 0 0 "[ ]" 1
1230 1 75 GLN HE21 1 102 LEU MD1 . . 4.130 3.880 3.880 3.880 . 0 0 "[ ]" 1
1231 1 75 GLN HE22 1 102 LEU MD1 . . 4.280 3.730 3.730 3.730 . 0 0 "[ ]" 1
1232 1 102 LEU HA 1 102 LEU MD1 . . 3.700 3.769 3.769 3.769 0.069 1 0 "[ ]" 1
1233 1 75 GLN HG3 1 102 LEU MD1 . . 3.530 3.575 3.575 3.575 0.045 1 0 "[ ]" 1
1234 1 36 LEU QD 1 37 THR H . . 3.930 4.441 4.441 4.441 0.511 1 1 [+] 1
1235 1 100 SER HA 1 101 LEU HB2 . . 5.460 4.837 4.837 4.837 . 0 0 "[ ]" 1
1236 1 100 SER HA 1 101 LEU H . . 3.130 2.321 2.321 2.321 . 0 0 "[ ]" 1
1237 1 25 LEU H 1 100 SER HA . . 4.210 3.386 3.386 3.386 . 0 0 "[ ]" 1
1238 1 24 ASP QB 1 100 SER HA . . 4.390 3.865 3.865 3.865 . 0 0 "[ ]" 1
1239 1 100 SER HA 1 101 LEU MD1 . . 4.580 3.610 3.610 3.610 . 0 0 "[ ]" 1
1240 1 77 ASN HD21 1 99 PHE HA . . 4.410 2.248 2.248 2.248 . 0 0 "[ ]" 1
1241 1 77 ASN HD22 1 99 PHE HA . . 4.430 1.948 1.948 1.948 . 0 0 "[ ]" 1
1242 1 28 MET HA 1 28 MET HG3 . . 4.000 3.472 3.472 3.472 . 0 0 "[ ]" 1
1243 1 28 MET HA 1 97 LYS QD . . 4.260 3.250 3.250 3.250 . 0 0 "[ ]" 1
1244 1 17 GLU HA 1 18 LEU QD . . 3.980 5.324 5.324 5.324 1.344 1 1 [+] 1
1245 1 40 TYR HA 1 41 ARG H . . 3.270 2.514 2.514 2.514 . 0 0 "[ ]" 1
1246 1 40 TYR HA 1 40 TYR QE . . 4.770 4.335 4.335 4.335 . 0 0 "[ ]" 1
1247 1 40 TYR HA 1 50 ILE MD . . 4.510 4.387 4.387 4.387 . 0 0 "[ ]" 1
1248 1 40 TYR HA 1 50 ILE HA . . 4.180 3.425 3.425 3.425 . 0 0 "[ ]" 1
1249 1 12 GLU HA 1 12 GLU QG . . 3.240 2.089 2.089 2.089 . 0 0 "[ ]" 1
1250 1 12 GLU HA 1 12 GLU HB3 . . 2.840 2.848 2.848 2.848 0.008 1 0 "[ ]" 1
1251 1 12 GLU HA 1 12 GLU HB2 . . 3.000 2.910 2.910 2.910 . 0 0 "[ ]" 1
1252 1 91 LEU HA 1 99 PHE QE . . 3.910 2.472 2.472 2.472 . 0 0 "[ ]" 1
1253 1 76 ILE MG 1 91 LEU HA . . 4.130 3.660 3.660 3.660 . 0 0 "[ ]" 1
1254 1 108 LEU H 1 108 LEU MD1 . . 4.550 4.077 4.077 4.077 . 0 0 "[ ]" 1
1255 1 108 LEU HA 1 108 LEU MD1 . . 3.750 3.696 3.696 3.696 . 0 0 "[ ]" 1
1256 1 110 LEU H 1 110 LEU MD1 . . 4.710 3.210 3.210 3.210 . 0 0 "[ ]" 1
1257 1 26 TYR HA 1 27 ARG H . . 3.000 2.269 2.269 2.269 . 0 0 "[ ]" 1
1258 1 26 TYR HA 1 98 ASN HA . . 3.810 2.795 2.795 2.795 . 0 0 "[ ]" 1
1259 1 75 GLN HG3 1 80 GLU HA . . 4.090 3.102 3.102 3.102 . 0 0 "[ ]" 1
1260 1 75 GLN HG2 1 80 GLU HA . . 3.730 2.106 2.106 2.106 . 0 0 "[ ]" 1
1261 1 17 GLU HA 1 18 LEU H . . 2.840 3.559 3.559 3.559 0.719 1 1 [+] 1
1262 1 17 GLU HA 1 17 GLU HG2 . . 3.540 3.591 3.591 3.591 0.051 1 0 "[ ]" 1
1263 1 31 GLN HA 1 31 GLN QG . . 3.270 2.255 2.255 2.255 . 0 0 "[ ]" 1
1264 1 107 GLU HA 1 108 LEU H . . 2.790 2.354 2.354 2.354 . 0 0 "[ ]" 1
1265 1 32 ASP HA 1 33 LYS QG . . 4.480 3.739 3.739 3.739 . 0 0 "[ ]" 1
1266 1 33 LYS QG 1 35 GLY H . . 4.760 3.785 3.785 3.785 . 0 0 "[ ]" 1
1267 1 33 LYS HA 1 33 LYS QG . . 3.760 3.328 3.328 3.328 . 0 0 "[ ]" 1
1268 1 33 LYS QG 1 35 GLY HA3 . . 4.800 4.102 4.102 4.102 . 0 0 "[ ]" 1
1269 1 51 TYR HA 1 52 ILE MD . . 5.320 4.700 4.700 4.700 . 0 0 "[ ]" 1
1270 1 51 TYR HA 1 72 ARG HA . . 3.490 2.251 2.251 2.251 . 0 0 "[ ]" 1
1271 1 50 ILE MG 1 51 TYR HA . . 4.650 3.402 3.402 3.402 . 0 0 "[ ]" 1
1272 1 15 ARG HA 1 15 ARG QG . . 3.270 2.235 2.235 2.235 . 0 0 "[ ]" 1
1273 1 15 ARG HA 1 18 LEU QD . . 4.070 4.187 4.187 4.187 0.117 1 0 "[ ]" 1
1274 1 20 LEU MD2 1 105 ARG H . . 4.290 3.503 3.503 3.503 . 0 0 "[ ]" 1
1275 1 20 LEU MD2 1 21 GLU H . . 3.500 3.242 3.242 3.242 . 0 0 "[ ]" 1
1276 1 20 LEU H 1 20 LEU MD2 . . 3.930 3.916 3.916 3.916 . 0 0 "[ ]" 1
1277 1 20 LEU MD2 1 104 ALA HA . . 3.320 1.920 1.920 1.920 . 0 0 "[ ]" 1
1278 1 20 LEU HA 1 20 LEU MD2 . . 3.000 1.945 1.945 1.945 . 0 0 "[ ]" 1
1279 1 36 LEU QD 1 61 ALA HA . . 4.650 3.765 3.765 3.765 . 0 0 "[ ]" 1
1280 1 34 LEU H 1 34 LEU QD . . 4.320 1.780 1.780 1.780 . 0 0 "[ ]" 1
1281 1 34 LEU QD 1 35 GLY H . . 4.660 3.808 3.808 3.808 . 0 0 "[ ]" 1
1282 1 34 LEU QD 1 99 PHE QE . . 4.060 3.074 3.074 3.074 . 0 0 "[ ]" 1
1283 1 34 LEU QD 1 99 PHE QD . . 3.810 2.858 2.858 2.858 . 0 0 "[ ]" 1
1284 1 34 LEU QD 1 91 LEU HA . . 4.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
1285 1 34 LEU HA 1 34 LEU QD . . 3.310 2.117 2.117 2.117 . 0 0 "[ ]" 1
1286 1 34 LEU QD 1 99 PHE HB2 . . 4.210 2.784 2.784 2.784 . 0 0 "[ ]" 1
1287 1 34 LEU QD 1 99 PHE HB3 . . 4.250 2.595 2.595 2.595 . 0 0 "[ ]" 1
1288 1 34 LEU QD 1 60 ILE HB . . 3.720 2.920 2.920 2.920 . 0 0 "[ ]" 1
1289 1 27 ARG HG3 1 34 LEU QD . . 3.620 3.539 3.539 3.539 . 0 0 "[ ]" 1
1290 1 34 LEU QD 1 61 ALA H . . 4.480 3.758 3.758 3.758 . 0 0 "[ ]" 1
1291 1 34 LEU QD 1 60 ILE H . . 4.690 4.526 4.526 4.526 . 0 0 "[ ]" 1
1292 1 25 LEU HB2 1 34 LEU QD . . 3.650 3.280 3.280 3.280 . 0 0 "[ ]" 1
1293 1 54 GLU HA 1 69 GLU QG . . 4.000 1.973 1.973 1.973 . 0 0 "[ ]" 1
1294 1 19 GLU HA 1 20 LEU MD2 . . 4.780 4.598 4.598 4.598 . 0 0 "[ ]" 1
1295 1 19 GLU HA 1 20 LEU H . . 2.930 2.444 2.444 2.444 . 0 0 "[ ]" 1
1296 1 34 LEU QD 1 99 PHE H . . 4.960 4.365 4.365 4.365 . 0 0 "[ ]" 1
1297 1 13 MET HA 1 14 ASP H . . 3.140 2.308 2.308 2.308 . 0 0 "[ ]" 1
1298 1 108 LEU MD2 1 109 GLN H . . 4.380 4.231 4.231 4.231 . 0 0 "[ ]" 1
1299 1 108 LEU H 1 108 LEU MD2 . . 4.600 4.317 4.317 4.317 . 0 0 "[ ]" 1
1300 1 108 LEU HA 1 108 LEU MD2 . . 3.230 2.709 2.709 2.709 . 0 0 "[ ]" 1
1301 1 40 TYR QE 1 48 ILE HB . . 4.690 3.835 3.835 3.835 . 0 0 "[ ]" 1
1302 1 40 TYR QE 1 50 ILE HG13 . . 4.100 2.419 2.419 2.419 . 0 0 "[ ]" 1
1303 1 40 TYR QE 1 48 ILE MG . . 3.990 2.964 2.964 2.964 . 0 0 "[ ]" 1
1304 1 40 TYR QE 1 84 ARG H . . 4.020 2.327 2.327 2.327 . 0 0 "[ ]" 1
1305 1 40 TYR QE 1 50 ILE HA . . 4.990 4.161 4.161 4.161 . 0 0 "[ ]" 1
1306 1 40 TYR QE 1 84 ARG HA . . 4.970 2.667 2.667 2.667 . 0 0 "[ ]" 1
1307 1 40 TYR QE 1 84 ARG HB2 . . 4.320 2.261 2.261 2.261 . 0 0 "[ ]" 1
1308 1 40 TYR QE 1 50 ILE HG12 . . 4.140 3.155 3.155 3.155 . 0 0 "[ ]" 1
1309 1 40 TYR QE 1 50 ILE MD . . 3.720 2.166 2.166 2.166 . 0 0 "[ ]" 1
1310 1 115 MET HA 1 116 ASP H . . 3.350 2.217 2.217 2.217 . 0 0 "[ ]" 1
1311 1 114 TRP HE3 1 115 MET HA . . 4.860 4.776 4.776 4.776 . 0 0 "[ ]" 1
1312 1 61 ALA HA 1 64 ASP HB2 . . 4.240 4.249 4.249 4.249 0.009 1 0 "[ ]" 1
1313 1 61 ALA HA 1 64 ASP HB3 . . 3.990 4.024 4.024 4.024 0.034 1 0 "[ ]" 1
1314 1 60 ILE MG 1 61 ALA HA . . 4.100 3.486 3.486 3.486 . 0 0 "[ ]" 1
1315 1 60 ILE HB 1 61 ALA HA . . 4.480 4.336 4.336 4.336 . 0 0 "[ ]" 1
1316 1 88 VAL H 1 89 ALA HA . . 4.830 4.869 4.869 4.869 0.039 1 0 "[ ]" 1
1317 1 89 ALA HA 1 91 LEU H . . 4.830 4.438 4.438 4.438 . 0 0 "[ ]" 1
1318 1 88 VAL HB 1 89 ALA HA . . 4.540 4.431 4.431 4.431 . 0 0 "[ ]" 1
1319 1 87 ALA HA 1 90 LEU H . . 4.040 4.161 4.161 4.161 0.121 1 0 "[ ]" 1
1320 1 87 ALA HA 1 91 LEU H . . 4.680 4.658 4.658 4.658 . 0 0 "[ ]" 1
1321 1 87 ALA HA 1 90 LEU HB2 . . 3.720 3.490 3.490 3.490 . 0 0 "[ ]" 1
1322 1 81 VAL HB 1 87 ALA HA . . 3.920 3.757 3.757 3.757 . 0 0 "[ ]" 1
1323 1 81 VAL MG1 1 87 ALA HA . . 2.950 2.153 2.153 2.153 . 0 0 "[ ]" 1
1324 1 87 ALA HA 1 91 LEU MD2 . . 4.080 3.557 3.557 3.557 . 0 0 "[ ]" 1
1325 1 22 GLU HA 1 102 LEU MD2 . . 4.090 2.095 2.095 2.095 . 0 0 "[ ]" 1
1326 1 108 LEU HA 1 108 LEU HG . . 3.070 2.302 2.302 2.302 . 0 0 "[ ]" 1
1327 1 110 LEU H 1 110 LEU HA . . 2.660 2.753 2.753 2.753 0.093 1 0 "[ ]" 1
1328 1 61 ALA HA 1 64 ASP H . . 4.230 3.235 3.235 3.235 . 0 0 "[ ]" 1
1329 1 104 ALA H 1 104 ALA MB . . 3.180 2.220 2.220 2.220 . 0 0 "[ ]" 1
1330 1 104 ALA MB 1 105 ARG H . . 3.330 3.410 3.410 3.410 0.080 1 0 "[ ]" 1
1331 1 72 ARG HB2 1 104 ALA MB . . 3.340 3.339 3.339 3.339 . 0 0 "[ ]" 1
1332 1 18 LEU QB 1 104 ALA MB . . 2.940 2.857 2.857 2.857 . 0 0 "[ ]" 1
1333 1 88 VAL H 1 88 VAL QG . . 3.030 2.658 2.658 2.658 . 0 0 "[ ]" 1
1334 1 88 VAL QG 1 89 ALA H . . 3.780 3.085 3.085 3.085 . 0 0 "[ ]" 1
1335 1 87 ALA H 1 88 VAL QG . . 4.530 4.405 4.405 4.405 . 0 0 "[ ]" 1
1336 1 85 GLU HA 1 88 VAL QG . . 3.740 3.418 3.418 3.418 . 0 0 "[ ]" 1
1337 1 88 VAL HA 1 88 VAL QG . . 3.040 2.030 2.030 2.030 . 0 0 "[ ]" 1
1338 1 38 VAL HB 1 88 VAL QG . . 3.940 3.685 3.685 3.685 . 0 0 "[ ]" 1
1339 1 87 ALA MB 1 88 VAL QG . . 3.280 3.083 3.083 3.083 . 0 0 "[ ]" 1
1340 1 88 VAL QG 1 92 THR MG . . 3.130 1.935 1.935 1.935 . 0 0 "[ ]" 1
1341 1 84 ARG HG3 1 88 VAL QG . . 3.590 2.958 2.958 2.958 . 0 0 "[ ]" 1
1342 1 84 ARG HA 1 88 VAL QG . . 4.510 4.494 4.494 4.494 . 0 0 "[ ]" 1
1343 1 25 LEU MD2 1 26 TYR H . . 3.780 3.764 3.764 3.764 . 0 0 "[ ]" 1
1344 1 25 LEU MD2 1 64 ASP H . . 4.280 3.806 3.806 3.806 . 0 0 "[ ]" 1
1345 1 25 LEU HA 1 25 LEU MD2 . . 3.040 2.095 2.095 2.095 . 0 0 "[ ]" 1
1346 1 25 LEU MD2 1 61 ALA HA . . 3.350 1.961 1.961 1.961 . 0 0 "[ ]" 1
1347 1 25 LEU MD2 1 64 ASP HB2 . . 3.420 3.319 3.319 3.319 . 0 0 "[ ]" 1
1348 1 25 LEU MD2 1 64 ASP HB3 . . 3.480 2.422 2.422 2.422 . 0 0 "[ ]" 1
1349 1 25 LEU MD2 1 60 ILE MG . . 3.040 2.985 2.985 2.985 . 0 0 "[ ]" 1
1350 1 25 LEU H 1 25 LEU MD2 . . 3.800 3.774 3.774 3.774 . 0 0 "[ ]" 1
1351 1 25 LEU MD2 1 65 GLY H . . 4.800 1.885 1.885 1.885 . 0 0 "[ ]" 1
1352 1 102 LEU MD2 1 103 ILE H . . 3.370 2.046 2.046 2.046 . 0 0 "[ ]" 1
1353 1 21 GLU H 1 102 LEU MD2 . . 3.730 2.156 2.156 2.156 . 0 0 "[ ]" 1
1354 1 20 LEU H 1 102 LEU MD2 . . 4.780 4.777 4.777 4.777 . 0 0 "[ ]" 1
1355 1 20 LEU HA 1 102 LEU MD2 . . 4.060 3.562 3.562 3.562 . 0 0 "[ ]" 1
1356 1 102 LEU HA 1 102 LEU MD2 . . 2.930 2.231 2.231 2.231 . 0 0 "[ ]" 1
1357 1 21 GLU HA 1 102 LEU MD2 . . 4.330 3.476 3.476 3.476 . 0 0 "[ ]" 1
1358 1 22 GLU QG 1 102 LEU MD2 . . 3.310 2.963 2.963 2.963 . 0 0 "[ ]" 1
1359 1 22 GLU HB2 1 102 LEU MD2 . . 3.280 3.086 3.086 3.086 . 0 0 "[ ]" 1
1360 1 110 LEU MD2 1 111 ASP H . . 4.290 2.849 2.849 2.849 . 0 0 "[ ]" 1
1361 1 110 LEU HA 1 110 LEU MD2 . . 3.350 2.516 2.516 2.516 . 0 0 "[ ]" 1
1362 1 18 LEU QD 1 19 GLU H . . 3.660 2.947 2.947 2.947 . 0 0 "[ ]" 1
1363 1 18 LEU QD 1 107 GLU H . . 4.030 3.931 3.931 3.931 . 0 0 "[ ]" 1
1364 1 18 LEU QD 1 106 PRO HB2 . . 4.070 3.797 3.797 3.797 . 0 0 "[ ]" 1
1365 1 18 LEU QD 1 107 GLU QG . . 4.080 6.660 6.660 6.660 2.580 1 1 [+] 1
1366 1 18 LEU QD 1 106 PRO HG3 . . 4.130 3.592 3.592 3.592 . 0 0 "[ ]" 1
1367 1 18 LEU QD 1 106 PRO HB3 . . 3.900 2.506 2.506 2.506 . 0 0 "[ ]" 1
1368 1 18 LEU QD 1 105 ARG HA . . 4.500 4.175 4.175 4.175 . 0 0 "[ ]" 1
1369 1 18 LEU QD 1 106 PRO HD3 . . 4.390 3.617 3.617 3.617 . 0 0 "[ ]" 1
1370 1 18 LEU QD 1 106 PRO HD2 . . 4.720 4.640 4.640 4.640 . 0 0 "[ ]" 1
1371 1 18 LEU QD 1 104 ALA MB . . 3.540 2.665 2.665 2.665 . 0 0 "[ ]" 1
1372 1 26 TYR QE 1 28 MET HA . . 4.300 4.322 4.322 4.322 0.022 1 0 "[ ]" 1
1373 1 26 TYR QE 1 98 ASN QB . . 3.800 3.605 3.605 3.605 . 0 0 "[ ]" 1
1374 1 26 TYR QE 1 28 MET ME . . 4.270 2.752 2.752 2.752 . 0 0 "[ ]" 1
1375 1 26 TYR QE 1 97 LYS QD . . 3.980 3.328 3.328 3.328 . 0 0 "[ ]" 1
1376 1 27 ARG HA 1 27 ARG HG3 . . 4.160 2.440 2.440 2.440 . 0 0 "[ ]" 1
1377 1 90 LEU MD2 1 91 LEU H . . 5.280 4.449 4.449 4.449 . 0 0 "[ ]" 1
1378 1 90 LEU MD2 1 96 ASN HD22 . . 4.570 2.791 2.791 2.791 . 0 0 "[ ]" 1
1379 1 90 LEU HA 1 90 LEU MD2 . . 2.850 2.466 2.466 2.466 . 0 0 "[ ]" 1
1380 1 79 ILE HB 1 90 LEU MD2 . . 4.110 3.443 3.443 3.443 . 0 0 "[ ]" 1
1381 1 90 LEU HB2 1 90 LEU MD2 . . 3.390 3.190 3.190 3.190 . 0 0 "[ ]" 1
1382 1 75 GLN HA 1 81 VAL MG1 . . 4.360 3.631 3.631 3.631 . 0 0 "[ ]" 1
1383 1 81 VAL MG1 1 82 GLN QG . . 5.230 5.055 5.055 5.055 . 0 0 "[ ]" 1
1384 1 81 VAL MG1 1 82 GLN H . . 3.890 3.580 3.580 3.580 . 0 0 "[ ]" 1
1385 1 76 ILE H 1 81 VAL MG1 . . 4.090 3.489 3.489 3.489 . 0 0 "[ ]" 1
1386 1 81 VAL MG1 1 83 ASN H . . 3.920 3.976 3.976 3.976 0.056 1 0 "[ ]" 1
1387 1 81 VAL H 1 81 VAL MG1 . . 3.330 2.717 2.717 2.717 . 0 0 "[ ]" 1
1388 1 80 GLU HA 1 81 VAL MG1 . . 4.280 4.280 4.280 4.280 0.000 1 0 "[ ]" 1
1389 1 81 VAL HA 1 81 VAL MG1 . . 3.150 2.112 2.112 2.112 . 0 0 "[ ]" 1
1390 1 81 VAL MG1 1 86 GLU HG3 . . 3.790 3.686 3.686 3.686 . 0 0 "[ ]" 1
1391 1 81 VAL MG1 1 86 GLU QB . . 3.430 2.869 2.869 2.869 . 0 0 "[ ]" 1
1392 1 41 ARG H 1 51 TYR QE . . 4.440 4.029 4.029 4.029 . 0 0 "[ ]" 1
1393 1 49 GLY H 1 51 TYR QE . . 4.160 4.095 4.095 4.095 . 0 0 "[ ]" 1
1394 1 50 ILE HA 1 51 TYR QE . . 4.460 4.486 4.486 4.486 0.026 1 0 "[ ]" 1
1395 1 49 GLY HA2 1 51 TYR QE . . 4.490 4.152 4.152 4.152 . 0 0 "[ ]" 1
1396 1 49 GLY HA3 1 51 TYR QE . . 3.900 2.742 2.742 2.742 . 0 0 "[ ]" 1
1397 1 51 TYR QE 1 72 ARG HB2 . . 3.920 2.162 2.162 2.162 . 0 0 "[ ]" 1
1398 1 51 TYR QE 1 72 ARG HB3 . . 3.610 3.636 3.636 3.636 0.026 1 0 "[ ]" 1
1399 1 41 ARG HG2 1 51 TYR QE . . 4.420 4.662 4.662 4.662 0.242 1 0 "[ ]" 1
1400 1 51 TYR QE 1 72 ARG HG3 . . 4.580 2.548 2.548 2.548 . 0 0 "[ ]" 1
1401 1 51 TYR H 1 51 TYR QE . . 4.760 4.801 4.801 4.801 0.041 1 0 "[ ]" 1
1402 1 91 LEU HA 1 91 LEU MD1 . . 2.940 2.449 2.449 2.449 . 0 0 "[ ]" 1
1403 1 91 LEU MD1 1 101 LEU HG . . 3.940 2.038 2.038 2.038 . 0 0 "[ ]" 1
1404 1 76 ILE MG 1 91 LEU MD1 . . 2.860 2.952 2.952 2.952 0.092 1 0 "[ ]" 1
1405 1 91 LEU MD1 1 101 LEU MD1 . . 3.060 2.036 2.036 2.036 . 0 0 "[ ]" 1
1406 1 75 GLN HA 1 75 GLN HG3 . . 4.060 2.643 2.643 2.643 . 0 0 "[ ]" 1
1407 1 91 LEU MD1 1 99 PHE QE . . 4.290 3.918 3.918 3.918 . 0 0 "[ ]" 1
1408 1 91 LEU MD1 1 99 PHE QD . . 4.090 3.082 3.082 3.082 . 0 0 "[ ]" 1
1409 1 34 LEU HA 1 91 LEU MD1 . . 4.820 4.604 4.604 4.604 . 0 0 "[ ]" 1
1410 1 75 GLN HA 1 76 ILE H . . 3.050 2.444 2.444 2.444 . 0 0 "[ ]" 1
1411 1 75 GLN HA 1 80 GLU HA . . 3.580 3.007 3.007 3.007 . 0 0 "[ ]" 1
1412 1 75 GLN HA 1 75 GLN HG2 . . 3.780 2.719 2.719 2.719 . 0 0 "[ ]" 1
1413 1 76 ILE HA 1 101 LEU HA . . 4.060 2.165 2.165 2.165 . 0 0 "[ ]" 1
1414 1 101 LEU HA 1 101 LEU HG . . 3.620 3.563 3.563 3.563 . 0 0 "[ ]" 1
1415 1 23 VAL H 1 102 LEU HA . . 4.530 3.383 3.383 3.383 . 0 0 "[ ]" 1
1416 1 38 VAL QG 1 39 CYS H . . 3.840 1.887 1.887 1.887 . 0 0 "[ ]" 1
1417 1 38 VAL QG 1 53 SER H . . 4.340 4.016 4.016 4.016 . 0 0 "[ ]" 1
1418 1 38 VAL QG 1 51 TYR H . . 4.880 2.674 2.674 2.674 . 0 0 "[ ]" 1
1419 1 38 VAL H 1 38 VAL QG . . 3.080 1.985 1.985 1.985 . 0 0 "[ ]" 1
1420 1 38 VAL HA 1 38 VAL QG . . 3.320 2.535 2.535 2.535 . 0 0 "[ ]" 1
1421 1 38 VAL QG 1 52 ILE HA . . 3.630 3.761 3.761 3.761 0.131 1 0 "[ ]" 1
1422 1 38 VAL QG 1 87 ALA MB . . 3.160 2.273 2.273 2.273 . 0 0 "[ ]" 1
1423 1 19 GLU HA 1 20 LEU HA . . 4.870 4.398 4.398 4.398 . 0 0 "[ ]" 1
1424 1 20 LEU HA 1 21 GLU H . . 3.000 2.542 2.542 2.542 . 0 0 "[ ]" 1
1425 1 20 LEU HA 1 105 ARG H . . 4.500 2.670 2.670 2.670 . 0 0 "[ ]" 1
1426 1 20 LEU HA 1 104 ALA HA . . 3.550 2.359 2.359 2.359 . 0 0 "[ ]" 1
1427 1 42 THR MG 1 44 ASP H . . 4.520 2.358 2.358 2.358 . 0 0 "[ ]" 1
1428 1 37 THR HA 1 38 VAL QG . . 3.910 2.989 2.989 2.989 . 0 0 "[ ]" 1
1429 1 105 ARG HA 1 105 ARG QG . . 3.960 2.732 2.732 2.732 . 0 0 "[ ]" 1
1430 1 42 THR H 1 42 THR MG . . 3.370 3.898 3.898 3.898 0.528 1 1 [+] 1
1431 1 40 TYR QE 1 42 THR MG . . 4.400 4.379 4.379 4.379 . 0 0 "[ ]" 1
1432 1 42 THR HA 1 42 THR MG . . 2.970 2.249 2.249 2.249 . 0 0 "[ ]" 1
1433 1 41 ARG HA 1 42 THR MG . . 4.030 5.723 5.723 5.723 1.693 1 1 [+] 1
1434 1 91 LEU H 1 92 THR MG . . 4.540 3.480 3.480 3.480 . 0 0 "[ ]" 1
1435 1 92 THR H 1 92 THR MG . . 3.470 2.331 2.331 2.331 . 0 0 "[ ]" 1
1436 1 92 THR MG 1 93 SER H . . 4.450 4.267 4.267 4.267 . 0 0 "[ ]" 1
1437 1 89 ALA HA 1 92 THR MG . . 4.540 2.568 2.568 2.568 . 0 0 "[ ]" 1
1438 1 88 VAL HA 1 92 THR MG . . 4.050 3.425 3.425 3.425 . 0 0 "[ ]" 1
1439 1 37 THR MG 1 53 SER H . . 4.480 2.749 2.749 2.749 . 0 0 "[ ]" 1
1440 1 37 THR MG 1 38 VAL H . . 3.240 2.252 2.252 2.252 . 0 0 "[ ]" 1
1441 1 37 THR MG 1 54 GLU H . . 4.030 2.547 2.547 2.547 . 0 0 "[ ]" 1
1442 1 37 THR MG 1 38 VAL HA . . 4.600 3.305 3.305 3.305 . 0 0 "[ ]" 1
1443 1 37 THR MG 1 54 GLU HG3 . . 4.060 3.397 3.397 3.397 . 0 0 "[ ]" 1
1444 1 37 THR MG 1 54 GLU QB . . 3.550 2.668 2.668 2.668 . 0 0 "[ ]" 1
1445 1 37 THR MG 1 38 VAL QG . . 4.090 3.421 3.421 3.421 . 0 0 "[ ]" 1
1446 1 88 VAL QG 1 92 THR H . . 4.790 4.050 4.050 4.050 . 0 0 "[ ]" 1
1447 1 88 VAL QG 1 92 THR HB . . 4.670 4.248 4.248 4.248 . 0 0 "[ ]" 1
1448 1 88 VAL QG 1 89 ALA HA . . 3.950 3.346 3.346 3.346 . 0 0 "[ ]" 1
1449 1 23 VAL MG2 1 66 ARG HE . . 4.510 3.760 3.760 3.760 . 0 0 "[ ]" 1
1450 1 23 VAL H 1 23 VAL MG2 . . 3.610 2.833 2.833 2.833 . 0 0 "[ ]" 1
1451 1 23 VAL MG2 1 103 ILE H . . 4.720 4.733 4.733 4.733 0.013 1 0 "[ ]" 1
1452 1 22 GLU H 1 23 VAL MG2 . . 4.920 4.285 4.285 4.285 . 0 0 "[ ]" 1
1453 1 23 VAL MG2 1 24 ASP H . . 4.150 4.101 4.101 4.101 . 0 0 "[ ]" 1
1454 1 23 VAL MG2 1 66 ARG HH12 . . 4.830 3.049 3.049 3.049 . 0 0 "[ ]" 1
1455 1 22 GLU HA 1 23 VAL MG2 . . 4.310 3.859 3.859 3.859 . 0 0 "[ ]" 1
1456 1 23 VAL HA 1 23 VAL MG2 . . 3.270 2.302 2.302 2.302 . 0 0 "[ ]" 1
1457 1 23 VAL MG2 1 66 ARG HD3 . . 4.520 4.551 4.551 4.551 0.031 1 0 "[ ]" 1
1458 1 23 VAL MG2 1 66 ARG HD2 . . 4.160 3.243 3.243 3.243 . 0 0 "[ ]" 1
1459 1 21 GLU HG3 1 23 VAL MG2 . . 3.450 3.640 3.640 3.640 0.190 1 0 "[ ]" 1
1460 1 23 VAL MG2 1 66 ARG HB2 . . 3.200 2.658 2.658 2.658 . 0 0 "[ ]" 1
1461 1 23 VAL MG2 1 103 ILE HG13 . . 3.830 3.543 3.543 3.543 . 0 0 "[ ]" 1
1462 1 24 ASP HA 1 101 LEU H . . 4.140 3.877 3.877 3.877 . 0 0 "[ ]" 1
1463 1 24 ASP HA 1 25 LEU H . . 3.020 2.383 2.383 2.383 . 0 0 "[ ]" 1
1464 1 24 ASP HA 1 100 SER HA . . 3.430 1.977 1.977 1.977 . 0 0 "[ ]" 1
1465 1 23 VAL MG1 1 24 ASP HA . . 4.500 4.027 4.027 4.027 . 0 0 "[ ]" 1
1466 1 24 ASP HA 1 25 LEU HG . . 4.730 3.392 3.392 3.392 . 0 0 "[ ]" 1
1467 1 23 VAL MG1 1 67 ILE H . . 4.760 3.067 3.067 3.067 . 0 0 "[ ]" 1
1468 1 23 VAL H 1 23 VAL MG1 . . 4.210 3.756 3.756 3.756 . 0 0 "[ ]" 1
1469 1 23 VAL MG1 1 66 ARG HE . . 3.640 3.030 3.030 3.030 . 0 0 "[ ]" 1
1470 1 23 VAL MG1 1 24 ASP H . . 3.660 2.718 2.718 2.718 . 0 0 "[ ]" 1
1471 1 23 VAL MG1 1 66 ARG HH12 . . 4.270 3.539 3.539 3.539 . 0 0 "[ ]" 1
1472 1 23 VAL HA 1 23 VAL MG1 . . 3.280 2.391 2.391 2.391 . 0 0 "[ ]" 1
1473 1 23 VAL MG1 1 66 ARG HD3 . . 4.980 4.816 4.816 4.816 . 0 0 "[ ]" 1
1474 1 23 VAL MG1 1 66 ARG HD2 . . 4.560 4.025 4.025 4.025 . 0 0 "[ ]" 1
1475 1 23 VAL MG1 1 24 ASP QB . . 4.570 4.373 4.373 4.373 . 0 0 "[ ]" 1
1476 1 23 VAL MG1 1 66 ARG HB2 . . 3.270 3.152 3.152 3.152 . 0 0 "[ ]" 1
1477 1 23 VAL MG1 1 25 LEU HG . . 3.290 3.181 3.181 3.181 . 0 0 "[ ]" 1
1478 1 81 VAL MG2 1 82 GLN H . . 4.270 3.917 3.917 3.917 . 0 0 "[ ]" 1
1479 1 76 ILE H 1 81 VAL MG2 . . 4.470 3.898 3.898 3.898 . 0 0 "[ ]" 1
1480 1 75 GLN H 1 81 VAL MG2 . . 4.300 4.245 4.245 4.245 . 0 0 "[ ]" 1
1481 1 81 VAL H 1 81 VAL MG2 . . 3.020 1.858 1.858 1.858 . 0 0 "[ ]" 1
1482 1 75 GLN HA 1 81 VAL MG2 . . 3.730 2.686 2.686 2.686 . 0 0 "[ ]" 1
1483 1 80 GLU HA 1 81 VAL MG2 . . 4.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
1484 1 74 ILE HA 1 81 VAL MG2 . . 4.260 3.797 3.797 3.797 . 0 0 "[ ]" 1
1485 1 81 VAL HA 1 81 VAL MG2 . . 3.470 3.196 3.196 3.196 . 0 0 "[ ]" 1
1486 1 81 VAL MG2 1 87 ALA MB . . 3.270 3.004 3.004 3.004 . 0 0 "[ ]" 1
1487 1 57 PRO HD2 1 58 ASN H . . 4.700 2.335 2.335 2.335 . 0 0 "[ ]" 1
1488 1 57 PRO HD3 1 58 ASN H . . 4.650 3.670 3.670 3.670 . 0 0 "[ ]" 1
1489 1 56 ASP QB 1 57 PRO HD3 . . 4.350 3.725 3.725 3.725 . 0 0 "[ ]" 1
1490 1 105 ARG H 1 106 PRO HD3 . . 4.550 4.545 4.545 4.545 . 0 0 "[ ]" 1
1491 1 105 ARG HA 1 106 PRO HD3 . . 3.220 1.949 1.949 1.949 . 0 0 "[ ]" 1
1492 1 105 ARG HB2 1 106 PRO HD3 . . 4.180 3.972 3.972 3.972 . 0 0 "[ ]" 1
1493 1 105 ARG QG 1 106 PRO HD3 . . 4.380 3.213 3.213 3.213 . 0 0 "[ ]" 1
1494 1 105 ARG HE 1 106 PRO HD2 . . 4.460 4.320 4.320 4.320 . 0 0 "[ ]" 1
1495 1 105 ARG HA 1 106 PRO HD2 . . 3.290 2.485 2.485 2.485 . 0 0 "[ ]" 1
1496 1 105 ARG HB2 1 106 PRO HD2 . . 3.800 3.503 3.503 3.503 . 0 0 "[ ]" 1
1497 1 105 ARG QG 1 106 PRO HD2 . . 4.040 1.958 1.958 1.958 . 0 0 "[ ]" 1
1498 1 58 ASN H 1 62 ALA MB . . 3.920 3.355 3.355 3.355 . 0 0 "[ ]" 1
1499 1 61 ALA H 1 62 ALA MB . . 4.640 4.218 4.218 4.218 . 0 0 "[ ]" 1
1500 1 62 ALA MB 1 63 LYS H . . 3.400 2.592 2.592 2.592 . 0 0 "[ ]" 1
1501 1 62 ALA H 1 62 ALA MB . . 2.980 1.960 1.960 1.960 . 0 0 "[ ]" 1
1502 1 59 SER H 1 62 ALA MB . . 3.140 1.792 1.792 1.792 . 0 0 "[ ]" 1
1503 1 59 SER HG 1 62 ALA MB . . 3.970 2.966 2.966 2.966 . 0 0 "[ ]" 1
1504 1 57 PRO HA 1 62 ALA MB . . 3.140 2.103 2.103 2.103 . 0 0 "[ ]" 1
1505 1 56 ASP QB 1 62 ALA MB . . 4.550 3.430 3.430 3.430 . 0 0 "[ ]" 1
1506 1 57 PRO HB2 1 62 ALA MB . . 4.340 4.105 4.105 4.105 . 0 0 "[ ]" 1
1507 1 61 ALA MB 1 62 ALA MB . . 3.900 3.590 3.590 3.590 . 0 0 "[ ]" 1
1508 1 61 ALA H 1 61 ALA MB . . 3.030 2.155 2.155 2.155 . 0 0 "[ ]" 1
1509 1 61 ALA MB 1 62 ALA H . . 3.550 2.199 2.199 2.199 . 0 0 "[ ]" 1
1510 1 36 LEU H 1 61 ALA MB . . 4.750 4.770 4.770 4.770 0.020 1 0 "[ ]" 1
1511 1 60 ILE HB 1 61 ALA MB . . 4.460 3.863 3.863 3.863 . 0 0 "[ ]" 1
1512 1 61 ALA MB 1 67 ILE MD . . 3.290 2.992 2.992 2.992 . 0 0 "[ ]" 1
1513 1 36 LEU QD 1 61 ALA MB . . 2.740 1.734 1.734 1.734 . 0 0 "[ ]" 1
1514 1 34 LEU QD 1 61 ALA MB . . 4.180 3.080 3.080 3.080 . 0 0 "[ ]" 1
1515 1 60 ILE H 1 61 ALA MB . . 4.730 4.624 4.624 4.624 . 0 0 "[ ]" 1
1516 1 59 SER HB3 1 61 ALA MB . . 4.700 4.795 4.795 4.795 0.095 1 0 "[ ]" 1
1517 1 36 LEU HB2 1 61 ALA MB . . 4.230 4.356 4.356 4.356 0.126 1 0 "[ ]" 1
1518 1 67 ILE H 1 67 ILE MG . . 4.180 3.724 3.724 3.724 . 0 0 "[ ]" 1
1519 1 67 ILE MG 1 71 ASP HB2 . . 3.930 2.570 2.570 2.570 . 0 0 "[ ]" 1
1520 1 67 ILE MG 1 71 ASP HB3 . . 4.200 3.042 3.042 3.042 . 0 0 "[ ]" 1
1521 1 61 ALA MB 1 67 ILE MG . . 3.650 3.568 3.568 3.568 . 0 0 "[ ]" 1
1522 1 38 VAL QG 1 87 ALA HA . . 4.920 4.518 4.518 4.518 . 0 0 "[ ]" 1
1523 1 38 VAL QG 1 84 ARG HA . . 4.320 3.050 3.050 3.050 . 0 0 "[ ]" 1
1524 1 38 VAL QG 1 88 VAL HA . . 4.180 3.413 3.413 3.413 . 0 0 "[ ]" 1
1525 1 38 VAL QG 1 84 ARG QD . . 4.560 1.947 1.947 1.947 . 0 0 "[ ]" 1
1526 1 67 ILE MG 1 68 ARG H . . 3.260 1.910 1.910 1.910 . 0 0 "[ ]" 1
1527 1 67 ILE MG 1 68 ARG HA . . 4.470 3.387 3.387 3.387 . 0 0 "[ ]" 1
1528 1 67 ILE HA 1 67 ILE MG . . 3.360 2.423 2.423 2.423 . 0 0 "[ ]" 1
1529 1 52 ILE HB 1 67 ILE MG . . 4.290 3.802 3.802 3.802 . 0 0 "[ ]" 1
1530 1 67 ILE HG12 1 67 ILE MG . . 3.570 2.413 2.413 2.413 . 0 0 "[ ]" 1
1531 1 103 ILE MG 1 104 ALA H . . 3.500 3.606 3.606 3.606 0.106 1 0 "[ ]" 1
1532 1 103 ILE HA 1 103 ILE MG . . 3.260 2.234 2.234 2.234 . 0 0 "[ ]" 1
1533 1 102 LEU HA 1 103 ILE MG . . 4.230 3.736 3.736 3.736 . 0 0 "[ ]" 1
1534 1 71 ASP HB3 1 103 ILE MG . . 3.650 2.041 2.041 2.041 . 0 0 "[ ]" 1
1535 1 103 ILE HG13 1 103 ILE MG . . 3.170 3.019 3.019 3.019 . 0 0 "[ ]" 1
1536 1 52 ILE MG 1 69 GLU H . . 4.580 4.165 4.165 4.165 . 0 0 "[ ]" 1
1537 1 52 ILE MG 1 55 ILE H . . 4.790 4.142 4.142 4.142 . 0 0 "[ ]" 1
1538 1 52 ILE MG 1 71 ASP H . . 4.350 3.646 3.646 3.646 . 0 0 "[ ]" 1
1539 1 52 ILE MG 1 70 GLY H . . 3.820 3.111 3.111 3.111 . 0 0 "[ ]" 1
1540 1 52 ILE MG 1 53 SER H . . 3.640 2.756 2.756 2.756 . 0 0 "[ ]" 1
1541 1 52 ILE H 1 52 ILE MG . . 3.960 3.741 3.741 3.741 . 0 0 "[ ]" 1
1542 1 37 THR H 1 52 ILE MG . . 3.980 3.315 3.315 3.315 . 0 0 "[ ]" 1
1543 1 52 ILE MG 1 54 GLU H . . 3.590 2.769 2.769 2.769 . 0 0 "[ ]" 1
1544 1 38 VAL HA 1 52 ILE MG . . 4.610 3.693 3.693 3.693 . 0 0 "[ ]" 1
1545 1 52 ILE MG 1 55 ILE HA . . 4.400 3.638 3.638 3.638 . 0 0 "[ ]" 1
1546 1 52 ILE MG 1 54 GLU HA . . 4.120 3.747 3.747 3.747 . 0 0 "[ ]" 1
1547 1 52 ILE HA 1 52 ILE MG . . 3.390 2.265 2.265 2.265 . 0 0 "[ ]" 1
1548 1 37 THR HB 1 52 ILE MG . . 4.920 4.355 4.355 4.355 . 0 0 "[ ]" 1
1549 1 52 ILE MG 1 69 GLU HA . . 3.230 2.115 2.115 2.115 . 0 0 "[ ]" 1
1550 1 52 ILE MG 1 71 ASP HB2 . . 4.620 3.730 3.730 3.730 . 0 0 "[ ]" 1
1551 1 52 ILE MG 1 69 GLU HB3 . . 3.950 3.944 3.944 3.944 . 0 0 "[ ]" 1
1552 1 52 ILE HG12 1 52 ILE MG . . 3.450 3.179 3.179 3.179 . 0 0 "[ ]" 1
1553 1 52 ILE MG 1 55 ILE HG13 . . 3.410 3.222 3.222 3.222 . 0 0 "[ ]" 1
1554 1 52 ILE HG13 1 52 ILE MG . . 3.430 2.683 2.683 2.683 . 0 0 "[ ]" 1
1555 1 52 ILE MG 1 67 ILE MG . . 2.980 2.678 2.678 2.678 . 0 0 "[ ]" 1
1556 1 50 ILE MG 1 51 TYR H . . 3.770 2.463 2.463 2.463 . 0 0 "[ ]" 1
1557 1 50 ILE H 1 50 ILE MG . . 4.130 3.573 3.573 3.573 . 0 0 "[ ]" 1
1558 1 38 VAL HA 1 50 ILE MG . . 4.370 4.021 4.021 4.021 . 0 0 "[ ]" 1
1559 1 50 ILE HA 1 50 ILE MG . . 3.380 2.602 2.602 2.602 . 0 0 "[ ]" 1
1560 1 87 ALA MB 1 88 VAL H . . 3.290 2.898 2.898 2.898 . 0 0 "[ ]" 1
1561 1 87 ALA H 1 87 ALA MB . . 2.990 1.951 1.951 1.951 . 0 0 "[ ]" 1
1562 1 81 VAL HB 1 87 ALA MB . . 3.630 3.291 3.291 3.291 . 0 0 "[ ]" 1
1563 1 81 VAL MG1 1 87 ALA MB . . 2.940 2.940 2.940 2.940 0.000 1 0 "[ ]" 1
1564 1 26 TYR H 1 60 ILE MG . . 3.380 2.462 2.462 2.462 . 0 0 "[ ]" 1
1565 1 60 ILE MG 1 61 ALA H . . 3.870 3.346 3.346 3.346 . 0 0 "[ ]" 1
1566 1 25 LEU HA 1 60 ILE MG . . 3.910 3.727 3.727 3.727 . 0 0 "[ ]" 1
1567 1 27 ARG HA 1 60 ILE MG . . 4.140 3.507 3.507 3.507 . 0 0 "[ ]" 1
1568 1 34 LEU HA 1 60 ILE MG . . 3.550 3.552 3.552 3.552 0.002 1 0 "[ ]" 1
1569 1 60 ILE HA 1 60 ILE MG . . 3.170 2.473 2.473 2.473 . 0 0 "[ ]" 1
1570 1 32 ASP QB 1 60 ILE MG . . 4.310 3.693 3.693 3.693 . 0 0 "[ ]" 1
1571 1 25 LEU HB3 1 60 ILE MG . . 3.350 2.191 2.191 2.191 . 0 0 "[ ]" 1
1572 1 60 ILE MD 1 60 ILE MG . . 2.670 1.837 1.837 1.837 . 0 0 "[ ]" 1
1573 1 25 LEU MD1 1 60 ILE MG . . 3.430 2.923 2.923 2.923 . 0 0 "[ ]" 1
1574 1 34 LEU QD 1 60 ILE MG . . 3.520 2.759 2.759 2.759 . 0 0 "[ ]" 1
1575 1 103 ILE H 1 103 ILE MG . . 3.570 3.324 3.324 3.324 . 0 0 "[ ]" 1
1576 1 72 ARG H 1 103 ILE MG . . 4.190 3.968 3.968 3.968 . 0 0 "[ ]" 1
1577 1 73 ILE HA 1 103 ILE MG . . 3.660 2.805 2.805 2.805 . 0 0 "[ ]" 1
1578 1 71 ASP HB2 1 103 ILE MG . . 4.020 3.227 3.227 3.227 . 0 0 "[ ]" 1
1579 1 73 ILE HG12 1 103 ILE MG . . 3.880 3.819 3.819 3.819 . 0 0 "[ ]" 1
1580 1 103 ILE HG12 1 103 ILE MG . . 3.260 2.199 2.199 2.199 . 0 0 "[ ]" 1
1581 1 36 LEU HB2 1 52 ILE MG . . 4.380 2.771 2.771 2.771 . 0 0 "[ ]" 1
1582 1 50 ILE MG 1 84 ARG HA . . 3.960 3.347 3.347 3.347 . 0 0 "[ ]" 1
1583 1 50 ILE MG 1 73 ILE HB . . 3.560 1.966 1.966 1.966 . 0 0 "[ ]" 1
1584 1 50 ILE MG 1 84 ARG HG3 . . 4.190 4.197 4.197 4.197 0.007 1 0 "[ ]" 1
1585 1 50 ILE HG13 1 50 ILE MG . . 3.190 2.602 2.602 2.602 . 0 0 "[ ]" 1
1586 1 39 CYS H 1 50 ILE MG . . 4.180 3.464 3.464 3.464 . 0 0 "[ ]" 1
1587 1 104 ALA HA 1 105 ARG H . . 3.010 2.190 2.190 2.190 . 0 0 "[ ]" 1
1588 1 20 LEU HG 1 104 ALA HA . . 4.450 3.754 3.754 3.754 . 0 0 "[ ]" 1
1589 1 18 LEU QB 1 104 ALA HA . . 4.340 4.257 4.257 4.257 . 0 0 "[ ]" 1
1590 1 40 TYR HB3 1 48 ILE MG . . 4.540 3.654 3.654 3.654 . 0 0 "[ ]" 1
1591 1 40 TYR HB2 1 48 ILE MG . . 4.600 4.604 4.604 4.604 0.004 1 0 "[ ]" 1
1592 1 73 ILE H 1 73 ILE MG . . 4.070 3.566 3.566 3.566 . 0 0 "[ ]" 1
1593 1 73 ILE MG 1 76 ILE H . . 4.480 4.525 4.525 4.525 0.045 1 0 "[ ]" 1
1594 1 73 ILE MG 1 101 LEU HA . . 4.580 4.467 4.467 4.467 . 0 0 "[ ]" 1
1595 1 73 ILE MG 1 76 ILE HA . . 4.350 4.205 4.205 4.205 . 0 0 "[ ]" 1
1596 1 73 ILE HG13 1 73 ILE MG . . 2.610 2.699 2.699 2.699 0.089 1 0 "[ ]" 1
1597 1 73 ILE MG 1 74 ILE H . . 3.480 2.396 2.396 2.396 . 0 0 "[ ]" 1
1598 1 73 ILE MG 1 75 GLN H . . 3.650 2.929 2.929 2.929 . 0 0 "[ ]" 1
1599 1 73 ILE MG 1 75 GLN HA . . 4.000 3.630 3.630 3.630 . 0 0 "[ ]" 1
1600 1 73 ILE MG 1 74 ILE HA . . 4.410 3.572 3.572 3.572 . 0 0 "[ ]" 1
1601 1 73 ILE HA 1 73 ILE MG . . 3.190 2.619 2.619 2.619 . 0 0 "[ ]" 1
1602 1 73 ILE MG 1 101 LEU HG . . 3.620 4.510 4.510 4.510 0.890 1 1 [+] 1
1603 1 73 ILE MG 1 76 ILE HG13 . . 2.680 2.562 2.562 2.562 . 0 0 "[ ]" 1
1604 1 88 VAL H 1 89 ALA MB . . 4.190 3.860 3.860 3.860 . 0 0 "[ ]" 1
1605 1 89 ALA MB 1 91 LEU H . . 4.460 4.469 4.469 4.469 0.009 1 0 "[ ]" 1
1606 1 89 ALA H 1 89 ALA MB . . 2.730 2.103 2.103 2.103 . 0 0 "[ ]" 1
1607 1 89 ALA MB 1 90 LEU H . . 3.190 2.375 2.375 2.375 . 0 0 "[ ]" 1
1608 1 86 GLU HG2 1 89 ALA MB . . 4.520 4.564 4.564 4.564 0.044 1 0 "[ ]" 1
1609 1 86 GLU HG3 1 89 ALA MB . . 4.400 3.549 3.549 3.549 . 0 0 "[ ]" 1
1610 1 89 ALA MB 1 90 LEU HB2 . . 3.640 3.897 3.897 3.897 0.257 1 0 "[ ]" 1
1611 1 89 ALA MB 1 90 LEU HG . . 4.330 4.335 4.335 4.335 0.005 1 0 "[ ]" 1
1612 1 48 ILE MG 1 49 GLY H . . 3.840 1.970 1.970 1.970 . 0 0 "[ ]" 1
1613 1 48 ILE H 1 48 ILE MG . . 3.570 3.709 3.709 3.709 0.139 1 0 "[ ]" 1
1614 1 42 THR HA 1 48 ILE MG . . 4.340 2.134 2.134 2.134 . 0 0 "[ ]" 1
1615 1 48 ILE HA 1 48 ILE MG . . 3.150 2.408 2.408 2.408 . 0 0 "[ ]" 1
1616 1 74 ILE H 1 74 ILE MG . . 3.840 3.758 3.758 3.758 . 0 0 "[ ]" 1
1617 1 74 ILE MG 1 75 GLN H . . 3.800 3.328 3.328 3.328 . 0 0 "[ ]" 1
1618 1 74 ILE MG 1 75 GLN HE21 . . 4.070 2.059 2.059 2.059 . 0 0 "[ ]" 1
1619 1 74 ILE MG 1 75 GLN HE22 . . 4.620 3.142 3.142 3.142 . 0 0 "[ ]" 1
1620 1 74 ILE MG 1 75 GLN HA . . 4.120 3.931 3.931 3.931 . 0 0 "[ ]" 1
1621 1 74 ILE MG 1 80 GLU HA . . 4.300 4.396 4.396 4.396 0.096 1 0 "[ ]" 1
1622 1 74 ILE HA 1 74 ILE MG . . 3.080 2.505 2.505 2.505 . 0 0 "[ ]" 1
1623 1 74 ILE MG 1 80 GLU HG2 . . 4.030 4.085 4.085 4.085 0.055 1 0 "[ ]" 1
1624 1 74 ILE MG 1 75 GLN HG3 . . 3.100 1.968 1.968 1.968 . 0 0 "[ ]" 1
1625 1 74 ILE MG 1 75 GLN HG2 . . 3.470 3.525 3.525 3.525 0.055 1 0 "[ ]" 1
1626 1 55 ILE H 1 55 ILE MD . . 4.120 4.218 4.218 4.218 0.098 1 0 "[ ]" 1
1627 1 55 ILE MD 1 61 ALA H . . 4.510 4.358 4.358 4.358 . 0 0 "[ ]" 1
1628 1 55 ILE MD 1 62 ALA H . . 3.740 2.754 2.754 2.754 . 0 0 "[ ]" 1
1629 1 55 ILE MD 1 59 SER H . . 4.720 4.752 4.752 4.752 0.032 1 0 "[ ]" 1
1630 1 55 ILE MD 1 59 SER HG . . 4.310 3.144 3.144 3.144 . 0 0 "[ ]" 1
1631 1 55 ILE HA 1 55 ILE MD . . 3.320 2.548 2.548 2.548 . 0 0 "[ ]" 1
1632 1 55 ILE MD 1 62 ALA HA . . 3.370 2.969 2.969 2.969 . 0 0 "[ ]" 1
1633 1 55 ILE MD 1 59 SER HB3 . . 4.420 4.360 4.360 4.360 . 0 0 "[ ]" 1
1634 1 9 ILE H 1 9 ILE MG . . 3.640 2.504 2.504 2.504 . 0 0 "[ ]" 1
1635 1 79 ILE HA 1 79 ILE MG . . 2.890 2.572 2.572 2.572 . 0 0 "[ ]" 1
1636 1 79 ILE MG 1 80 GLU HB2 . . 3.910 3.931 3.931 3.931 0.021 1 0 "[ ]" 1
1637 1 9 ILE MG 1 10 HIS H . . 4.620 4.284 4.284 4.284 . 0 0 "[ ]" 1
1638 1 55 ILE MD 1 56 ASP H . . 3.640 2.569 2.569 2.569 . 0 0 "[ ]" 1
1639 1 55 ILE MD 1 56 ASP QB . . 4.360 3.517 3.517 3.517 . 0 0 "[ ]" 1
1640 1 55 ILE MD 1 62 ALA MB . . 2.690 2.727 2.727 2.727 0.037 1 0 "[ ]" 1
1641 1 55 ILE MD 1 61 ALA MB . . 3.050 2.349 2.349 2.349 . 0 0 "[ ]" 1
1642 1 13 MET HA 1 13 MET ME . . 4.800 4.104 4.104 4.104 . 0 0 "[ ]" 1
1643 1 76 ILE MG 1 77 ASN H . . 3.630 3.108 3.108 3.108 . 0 0 "[ ]" 1
1644 1 76 ILE MG 1 100 SER H . . 4.740 4.182 4.182 4.182 . 0 0 "[ ]" 1
1645 1 76 ILE MG 1 99 PHE QE . . 4.590 4.185 4.185 4.185 . 0 0 "[ ]" 1
1646 1 76 ILE MG 1 99 PHE QD . . 3.670 3.156 3.156 3.156 . 0 0 "[ ]" 1
1647 1 76 ILE MG 1 77 ASN HD22 . . 4.360 4.410 4.410 4.410 0.050 1 0 "[ ]" 1
1648 1 76 ILE MG 1 101 LEU HA . . 4.430 3.563 3.563 3.563 . 0 0 "[ ]" 1
1649 1 76 ILE HA 1 76 ILE MG . . 3.230 2.489 2.489 2.489 . 0 0 "[ ]" 1
1650 1 76 ILE MG 1 77 ASN HB3 . . 3.970 4.086 4.086 4.086 0.116 1 0 "[ ]" 1
1651 1 76 ILE MG 1 99 PHE HB3 . . 4.570 4.172 4.172 4.172 . 0 0 "[ ]" 1
1652 1 76 ILE MG 1 90 LEU HB2 . . 3.780 3.354 3.354 3.354 . 0 0 "[ ]" 1
1653 1 76 ILE MG 1 91 LEU HG . . 3.970 4.010 4.010 4.010 0.040 1 0 "[ ]" 1
1654 1 76 ILE MG 1 90 LEU HB3 . . 3.420 1.948 1.948 1.948 . 0 0 "[ ]" 1
1655 1 76 ILE MG 1 77 ASN HD21 . . 3.980 2.890 2.890 2.890 . 0 0 "[ ]" 1
1656 1 76 ILE MG 1 77 ASN HB2 . . 4.390 2.576 2.576 2.576 . 0 0 "[ ]" 1
1657 1 76 ILE HG12 1 76 ILE MG . . 3.510 2.392 2.392 2.392 . 0 0 "[ ]" 1
1658 1 76 ILE H 1 79 ILE MG . . 4.610 3.752 3.752 3.752 . 0 0 "[ ]" 1
1659 1 79 ILE MG 1 80 GLU H . . 3.200 2.279 2.279 2.279 . 0 0 "[ ]" 1
1660 1 79 ILE MG 1 81 VAL H . . 4.360 3.656 3.656 3.656 . 0 0 "[ ]" 1
1661 1 79 ILE MG 1 80 GLU HA . . 4.510 3.643 3.643 3.643 . 0 0 "[ ]" 1
1662 1 28 MET HA 1 28 MET ME . . 4.310 2.938 2.938 2.938 . 0 0 "[ ]" 1
1663 1 79 ILE HG12 1 79 ILE MG . . 3.130 2.751 2.751 2.751 . 0 0 "[ ]" 1
1664 1 79 ILE HG13 1 79 ILE MG . . 3.360 3.158 3.158 3.158 . 0 0 "[ ]" 1
1665 1 74 ILE QG 1 74 ILE MG . . 2.890 2.245 2.245 2.245 . 0 0 "[ ]" 1
1666 1 19 GLU HB2 1 105 ARG QG . . 4.170 4.038 4.038 4.038 . 0 0 "[ ]" 1
1667 1 19 GLU HB3 1 105 ARG QG . . 4.240 3.896 3.896 3.896 . 0 0 "[ ]" 1
1668 1 20 LEU MD2 1 104 ALA MB . . 2.710 2.212 2.212 2.212 . 0 0 "[ ]" 1
1669 1 21 GLU HA 1 22 GLU QG . . 4.590 5.499 5.499 5.499 0.909 1 1 [+] 1
1670 1 26 TYR QB 1 28 MET ME . . 4.260 4.903 4.903 4.903 0.643 1 1 [+] 1
1671 1 34 LEU QD 1 91 LEU MD1 . . 2.860 2.004 2.004 2.004 . 0 0 "[ ]" 1
1672 1 34 LEU QD 1 36 LEU QD . . 2.980 1.982 1.982 1.982 . 0 0 "[ ]" 1
1673 1 34 LEU QD 1 60 ILE MD . . 3.170 2.618 2.618 2.618 . 0 0 "[ ]" 1
1674 1 35 GLY HA2 1 56 ASP QB . . 4.410 3.190 3.190 3.190 . 0 0 "[ ]" 1
1675 1 38 VAL QG 1 88 VAL QG . . 2.950 1.630 1.630 1.630 . 0 0 "[ ]" 1
1676 1 38 VAL QG 1 84 ARG HG3 . . 3.470 2.393 2.393 2.393 . 0 0 "[ ]" 1
1677 1 42 THR MG 1 48 ILE MD . . 4.050 3.401 3.401 3.401 . 0 0 "[ ]" 1
1678 1 48 ILE HG12 1 48 ILE MG . . 3.580 1.998 1.998 1.998 . 0 0 "[ ]" 1
1679 1 48 ILE HG13 1 48 ILE MG . . 3.150 2.994 2.994 2.994 . 0 0 "[ ]" 1
1680 1 55 ILE MD 1 69 GLU QG . . 4.590 4.169 4.169 4.169 . 0 0 "[ ]" 1
1681 1 69 GLU HA 1 69 GLU QG . . 3.440 2.450 2.450 2.450 . 0 0 "[ ]" 1
1682 1 52 ILE HG13 1 73 ILE MD . . 3.670 2.463 2.463 2.463 . 0 0 "[ ]" 1
1683 1 73 ILE MD 1 74 ILE H . . 4.760 4.742 4.742 4.742 . 0 0 "[ ]" 1
1684 1 90 LEU HB3 1 90 LEU MD2 . . 3.120 2.302 2.302 2.302 . 0 0 "[ ]" 1
1685 1 76 ILE HB 1 90 LEU MD2 . . 4.060 3.079 3.079 3.079 . 0 0 "[ ]" 1
1686 1 91 LEU HB2 1 92 THR MG . . 3.850 2.843 2.843 2.843 . 0 0 "[ ]" 1
1687 1 77 ASN HA 1 100 SER HB2 . . 3.660 2.245 2.245 2.245 . 0 0 "[ ]" 1
1688 1 102 LEU HB3 1 102 LEU MD1 . . 2.930 2.374 2.374 2.374 . 0 0 "[ ]" 1
1689 1 18 LEU QD 1 106 PRO HA . . 4.400 2.609 2.609 2.609 . 0 0 "[ ]" 1
1690 1 74 ILE MD 1 74 ILE MG . . 2.820 2.238 2.238 2.238 . 0 0 "[ ]" 1
1691 1 75 GLN HB3 1 102 LEU HB2 . . 4.480 4.171 4.171 4.171 . 0 0 "[ ]" 1
1692 1 63 LYS H 1 63 LYS HD2 . . 4.840 4.595 4.595 4.595 . 0 0 "[ ]" 1
1693 1 106 PRO HG2 1 107 GLU H . . 4.990 5.060 5.060 5.060 0.070 1 0 "[ ]" 1
1694 1 91 LEU HB3 1 91 LEU MD2 . . 3.110 3.188 3.188 3.188 0.078 1 0 "[ ]" 1
1695 1 66 ARG HB3 1 66 ARG HD2 . . 4.240 3.129 3.129 3.129 . 0 0 "[ ]" 1
1696 1 41 ARG QD 1 51 TYR QE . . 4.980 3.942 3.942 3.942 . 0 0 "[ ]" 1
1697 1 75 GLN HB2 1 102 LEU H . . 4.840 4.562 4.562 4.562 . 0 0 "[ ]" 1
1698 1 109 GLN HB2 1 110 LEU H . . 4.380 4.175 4.175 4.175 . 0 0 "[ ]" 1
1699 1 97 LYS HB3 1 97 LYS QD . . 3.430 1.984 1.984 1.984 . 0 0 "[ ]" 1
1700 1 33 LYS H 1 33 LYS HE2 . . 5.200 4.790 4.790 4.790 . 0 0 "[ ]" 1
1701 1 59 SER H 1 63 LYS QE . . 5.020 3.779 3.779 3.779 . 0 0 "[ ]" 1
1702 1 12 GLU HA 1 13 MET H . . 2.790 2.281 2.281 2.281 . 0 0 "[ ]" 1
1703 1 51 TYR HA 1 52 ILE H . . 3.220 2.421 2.421 2.421 . 0 0 "[ ]" 1
1704 1 20 LEU HB3 1 20 LEU MD2 . . 2.910 2.390 2.390 2.390 . 0 0 "[ ]" 1
1705 1 20 LEU HA 1 104 ALA MB . . 3.920 3.957 3.957 3.957 0.037 1 0 "[ ]" 1
1706 1 76 ILE HB 1 81 VAL MG1 . . 3.890 2.901 2.901 2.901 . 0 0 "[ ]" 1
1707 1 76 ILE HG12 1 81 VAL MG1 . . 3.740 3.795 3.795 3.795 0.055 1 0 "[ ]" 1
1708 1 25 LEU HB2 1 60 ILE MG . . 3.510 3.224 3.224 3.224 . 0 0 "[ ]" 1
1709 1 48 ILE MG 1 49 GLY HA2 . . 4.880 3.931 3.931 3.931 . 0 0 "[ ]" 1
1710 1 49 GLY HA2 1 50 ILE MD . . 4.830 3.212 3.212 3.212 . 0 0 "[ ]" 1
1711 1 51 TYR HB3 1 52 ILE H . . 3.670 2.665 2.665 2.665 . 0 0 "[ ]" 1
1712 1 68 ARG H 1 68 ARG HD3 . . 4.930 4.882 4.882 4.882 . 0 0 "[ ]" 1
1713 1 68 ARG H 1 68 ARG HD2 . . 5.070 4.467 4.467 4.467 . 0 0 "[ ]" 1
1714 1 68 ARG HB2 1 68 ARG HD2 . . 3.510 2.703 2.703 2.703 . 0 0 "[ ]" 1
1715 1 25 LEU H 1 25 LEU HG . . 3.750 2.817 2.817 2.817 . 0 0 "[ ]" 1
1716 1 99 PHE QD 1 100 SER H . . 4.550 4.355 4.355 4.355 . 0 0 "[ ]" 1
1717 1 22 GLU HB3 1 23 VAL H . . 4.690 4.143 4.143 4.143 . 0 0 "[ ]" 1
1718 1 37 THR HB 1 54 GLU HG2 . . 4.710 4.882 4.882 4.882 0.172 1 0 "[ ]" 1
1719 1 37 THR MG 1 54 GLU HG2 . . 4.600 4.667 4.667 4.667 0.067 1 0 "[ ]" 1
1720 1 41 ARG HG3 1 51 TYR QD . . 4.400 2.300 2.300 2.300 . 0 0 "[ ]" 1
1721 1 30 SER HA 1 32 ASP H . . 4.400 3.384 3.384 3.384 . 0 0 "[ ]" 1
1722 1 23 VAL HB 1 24 ASP H . . 5.020 4.406 4.406 4.406 . 0 0 "[ ]" 1
1723 1 63 LYS HB2 1 63 LYS QE . . 4.430 4.020 4.020 4.020 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.753
_Distance_constraint_stats_list.Viol_max 0.214
_Distance_constraint_stats_list.Viol_rms 0.0960
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1256
_Distance_constraint_stats_list.Viol_average_violations_only 0.1507
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 37 THR 0.036 0.036 1 0 "[ ]"
1 39 CYS 0.391 0.205 1 0 "[ ]"
1 51 TYR 0.391 0.205 1 0 "[ ]"
1 54 GLU 0.036 0.036 1 0 "[ ]"
1 75 GLN 0.327 0.214 1 0 "[ ]"
1 102 LEU 0.327 0.214 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 39 CYS H 1 51 TYR O . . 1.800 2.005 2.005 2.005 0.205 1 0 "[ ]" 2
2 1 39 CYS N 1 51 TYR O . . 2.700 2.885 2.885 2.885 0.185 1 0 "[ ]" 2
3 1 37 THR H 1 54 GLU O . . 1.800 1.836 1.836 1.836 0.036 1 0 "[ ]" 2
4 1 37 THR N 1 54 GLU O . . 2.700 2.685 2.685 2.685 . 0 0 "[ ]" 2
5 1 75 GLN O 1 102 LEU H . . 1.800 2.014 2.014 2.014 0.214 1 0 "[ ]" 2
6 1 75 GLN O 1 102 LEU N . . 2.700 2.813 2.813 2.813 0.113 1 0 "[ ]" 2
stop_
save_
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