NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379856 |
1i5u   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i5u
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 1419
_Distance_constraint_stats_list.Viol_count 83
_Distance_constraint_stats_list.Viol_total 6.109
_Distance_constraint_stats_list.Viol_max 0.488
_Distance_constraint_stats_list.Viol_rms 0.0297
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0736
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 VAL 0.070 0.061 1 0 "[ ]"
1 3 LYS 0.078 0.061 1 0 "[ ]"
1 4 TYR 0.005 0.005 1 0 "[ ]"
1 5 TYR 0.051 0.036 1 0 "[ ]"
1 6 THR 0.038 0.030 1 0 "[ ]"
1 7 LEU 0.029 0.021 1 0 "[ ]"
1 8 GLU 0.135 0.051 1 0 "[ ]"
1 9 GLU 0.243 0.106 1 0 "[ ]"
1 10 ILE 0.036 0.036 1 0 "[ ]"
1 11 GLN 0.039 0.020 1 0 "[ ]"
1 12 LYS 0.194 0.114 1 0 "[ ]"
1 13 HIS 0.268 0.114 1 0 "[ ]"
1 14 ASN 0.433 0.403 1 0 "[ ]"
1 15 ASN 0.409 0.274 1 0 "[ ]"
1 16 SER 0.000 0.000 . 0 "[ ]"
1 17 LYS 0.151 0.134 1 0 "[ ]"
1 18 SER 0.015 0.015 1 0 "[ ]"
1 19 THR 0.000 0.000 . 0 "[ ]"
1 20 TRP 0.171 0.087 1 0 "[ ]"
1 21 LEU 0.105 0.087 1 0 "[ ]"
1 22 ILE 0.000 0.000 . 0 "[ ]"
1 23 LEU 0.029 0.017 1 0 "[ ]"
1 24 HIS 0.000 0.000 . 0 "[ ]"
1 25 TYR 0.041 0.041 1 0 "[ ]"
1 26 LYS 0.307 0.181 1 0 "[ ]"
1 27 VAL 0.125 0.125 1 0 "[ ]"
1 28 TYR 0.000 0.000 . 0 "[ ]"
1 29 ASP 0.451 0.217 1 0 "[ ]"
1 30 LEU 0.051 0.051 1 0 "[ ]"
1 31 THR 0.218 0.216 1 0 "[ ]"
1 32 LYS 0.000 0.000 . 0 "[ ]"
1 33 PHE 0.113 0.051 1 0 "[ ]"
1 34 LEU 0.005 0.002 1 0 "[ ]"
1 35 GLU 0.285 0.276 1 0 "[ ]"
1 36 GLU 0.022 0.017 1 0 "[ ]"
1 37 HIS 0.048 0.044 1 0 "[ ]"
1 38 PRO 0.171 0.127 1 0 "[ ]"
1 40 GLY 0.044 0.044 1 0 "[ ]"
1 41 GLU 0.054 0.054 1 0 "[ ]"
1 42 GLU 0.146 0.054 1 0 "[ ]"
1 43 VAL 0.004 0.004 1 0 "[ ]"
1 44 LEU 0.000 0.000 . 0 "[ ]"
1 45 ARG 0.000 0.000 . 0 "[ ]"
1 46 ALA 0.000 0.000 . 0 "[ ]"
1 47 GLN 0.014 0.011 1 0 "[ ]"
1 48 ALA 0.015 0.015 1 0 "[ ]"
1 49 GLY 0.000 0.000 . 0 "[ ]"
1 50 GLY 0.000 0.000 . 0 "[ ]"
1 51 ASP 0.000 0.000 . 0 "[ ]"
1 52 ALA 0.000 0.000 . 0 "[ ]"
1 53 THR 0.013 0.013 1 0 "[ ]"
1 54 ALA 0.034 0.030 1 0 "[ ]"
1 55 ASN 0.014 0.014 1 0 "[ ]"
1 56 PHE 0.156 0.109 1 0 "[ ]"
1 57 GLU 0.255 0.109 1 0 "[ ]"
1 58 ALA 0.099 0.099 1 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 60 GLY 0.000 0.000 . 0 "[ ]"
1 61 HIS 0.000 0.000 . 0 "[ ]"
1 62 SER 0.325 0.259 1 0 "[ ]"
1 63 THR 0.346 0.259 1 0 "[ ]"
1 64 ASP 0.263 0.125 1 0 "[ ]"
1 65 ALA 0.023 0.023 1 0 "[ ]"
1 66 ARG 0.279 0.122 1 0 "[ ]"
1 67 GLU 0.281 0.147 1 0 "[ ]"
1 68 LEU 0.137 0.075 1 0 "[ ]"
1 69 SER 0.000 0.000 . 0 "[ ]"
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 THR 0.000 0.000 . 0 "[ ]"
1 72 PHE 0.160 0.126 1 0 "[ ]"
1 73 ILE 0.184 0.126 1 0 "[ ]"
1 74 ILE 0.274 0.217 1 0 "[ ]"
1 75 GLY 0.007 0.007 1 0 "[ ]"
1 76 GLU 0.253 0.243 1 0 "[ ]"
1 77 LEU 0.243 0.243 1 0 "[ ]"
1 78 HIS 0.083 0.078 1 0 "[ ]"
1 79 PRO 0.553 0.478 1 0 "[ ]"
1 80 ASP 0.078 0.078 1 0 "[ ]"
1 81 ASP 0.990 0.488 1 0 "[ ]"
1 82 ARG 0.587 0.488 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL H 1 2 VAL HB . . 3.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
2 1 2 VAL H 1 3 LYS HG2 . . 5.400 5.168 5.168 5.168 . 0 0 "[ ]" 1
3 1 2 VAL H 1 3 LYS HG3 . . 4.800 4.861 4.861 4.861 0.061 1 0 "[ ]" 1
4 1 2 VAL HA 1 3 LYS HA . . 4.500 4.510 4.510 4.510 0.010 1 0 "[ ]" 1
5 1 2 VAL MG1 1 3 LYS HA . . 5.400 3.897 3.897 3.897 . 0 0 "[ ]" 1
6 1 2 VAL MG1 1 4 TYR HA . . 7.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
7 1 2 VAL MG1 1 4 TYR QD . . 8.100 3.531 3.531 3.531 . 0 0 "[ ]" 1
8 1 2 VAL MG1 1 4 TYR QE . . 7.300 2.781 2.781 2.781 . 0 0 "[ ]" 1
9 1 2 VAL MG1 1 76 GLU H . . 6.100 3.625 3.625 3.625 . 0 0 "[ ]" 1
10 1 2 VAL MG1 1 76 GLU HB2 . . 5.000 3.186 3.186 3.186 . 0 0 "[ ]" 1
11 1 2 VAL MG1 1 76 GLU HB3 . . 5.200 4.362 4.362 4.362 . 0 0 "[ ]" 1
12 1 2 VAL MG1 1 76 GLU QG . . 8.000 2.158 2.158 2.158 . 0 0 "[ ]" 1
13 1 2 VAL MG2 1 3 LYS HA . . 5.700 4.130 4.130 4.130 . 0 0 "[ ]" 1
14 1 2 VAL MG2 1 4 TYR QD . . 9.000 4.603 4.603 4.603 . 0 0 "[ ]" 1
15 1 2 VAL MG2 1 4 TYR QE . . 8.700 4.503 4.503 4.503 . 0 0 "[ ]" 1
16 1 2 VAL MG2 1 76 GLU H . . 6.600 2.400 2.400 2.400 . 0 0 "[ ]" 1
17 1 2 VAL MG2 1 76 GLU HB2 . . 6.000 3.285 3.285 3.285 . 0 0 "[ ]" 1
18 1 2 VAL MG2 1 76 GLU QG . . 8.000 2.113 2.113 2.113 . 0 0 "[ ]" 1
19 1 3 LYS H 1 3 LYS HG2 . . 4.600 3.937 3.937 3.937 . 0 0 "[ ]" 1
20 1 3 LYS H 1 3 LYS HG3 . . 4.900 3.010 3.010 3.010 . 0 0 "[ ]" 1
21 1 3 LYS H 1 75 GLY HA2 . . 3.800 2.530 2.530 2.530 . 0 0 "[ ]" 1
22 1 3 LYS H 1 75 GLY HA3 . . 3.600 3.607 3.607 3.607 0.007 1 0 "[ ]" 1
23 1 3 LYS H 1 76 GLU H . . 4.700 3.780 3.780 3.780 . 0 0 "[ ]" 1
24 1 3 LYS HA 1 3 LYS HG2 . . 4.000 2.337 2.337 2.337 . 0 0 "[ ]" 1
25 1 3 LYS HA 1 3 LYS HG3 . . 3.600 3.072 3.072 3.072 . 0 0 "[ ]" 1
26 1 3 LYS HA 1 4 TYR HA . . 4.700 4.440 4.440 4.440 . 0 0 "[ ]" 1
27 1 3 LYS HA 1 4 TYR QD . . 6.600 3.454 3.454 3.454 . 0 0 "[ ]" 1
28 1 3 LYS HA 1 4 TYR QE . . 7.300 4.765 4.765 4.765 . 0 0 "[ ]" 1
29 1 3 LYS QB 1 4 TYR QE . . 8.800 6.262 6.262 6.262 . 0 0 "[ ]" 1
30 1 3 LYS QB 1 5 TYR QD . . 9.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
31 1 3 LYS QB 1 5 TYR QE . . 8.300 2.571 2.571 2.571 . 0 0 "[ ]" 1
32 1 3 LYS QB 1 76 GLU H . . 7.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
33 1 3 LYS HG2 1 5 TYR QE . . 7.300 4.748 4.748 4.748 . 0 0 "[ ]" 1
34 1 3 LYS HG3 1 5 TYR QE . . 7.600 4.919 4.919 4.919 . 0 0 "[ ]" 1
35 1 4 TYR H 1 4 TYR HB2 . . 3.500 2.393 2.393 2.393 . 0 0 "[ ]" 1
36 1 4 TYR H 1 4 TYR HB3 . . 3.600 3.597 3.597 3.597 . 0 0 "[ ]" 1
37 1 4 TYR H 1 4 TYR QE . . 7.000 4.690 4.690 4.690 . 0 0 "[ ]" 1
38 1 4 TYR H 1 76 GLU H . . 4.800 4.558 4.558 4.558 . 0 0 "[ ]" 1
39 1 4 TYR HA 1 4 TYR QD . . 4.400 2.916 2.916 2.916 . 0 0 "[ ]" 1
40 1 4 TYR HA 1 4 TYR QE . . 5.700 4.600 4.600 4.600 . 0 0 "[ ]" 1
41 1 4 TYR HA 1 5 TYR H . . 3.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
42 1 4 TYR HA 1 5 TYR QD . . 6.600 4.641 4.641 4.641 . 0 0 "[ ]" 1
43 1 4 TYR HA 1 75 GLY HA3 . . 6.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
44 1 4 TYR HA 1 76 GLU H . . 3.300 2.519 2.519 2.519 . 0 0 "[ ]" 1
45 1 4 TYR HA 1 76 GLU HB2 . . 4.900 3.081 3.081 3.081 . 0 0 "[ ]" 1
46 1 4 TYR HA 1 76 GLU HB3 . . 4.700 4.360 4.360 4.360 . 0 0 "[ ]" 1
47 1 4 TYR HA 1 78 HIS H . . 4.600 4.605 4.605 4.605 0.005 1 0 "[ ]" 1
48 1 4 TYR HA 1 78 HIS HA . . 4.800 3.952 3.952 3.952 . 0 0 "[ ]" 1
49 1 4 TYR HB2 1 5 TYR H . . 4.300 4.262 4.262 4.262 . 0 0 "[ ]" 1
50 1 4 TYR HB2 1 78 HIS HA . . 4.100 3.733 3.733 3.733 . 0 0 "[ ]" 1
51 1 4 TYR HB2 1 78 HIS HD2 . . 3.700 2.749 2.749 2.749 . 0 0 "[ ]" 1
52 1 4 TYR HB3 1 5 TYR H . . 3.700 3.277 3.277 3.277 . 0 0 "[ ]" 1
53 1 4 TYR HB3 1 78 HIS H . . 4.100 3.988 3.988 3.988 . 0 0 "[ ]" 1
54 1 4 TYR HB3 1 78 HIS HA . . 4.200 2.105 2.105 2.105 . 0 0 "[ ]" 1
55 1 4 TYR HB3 1 78 HIS HD2 . . 3.700 2.497 2.497 2.497 . 0 0 "[ ]" 1
56 1 4 TYR QD 1 5 TYR H . . 7.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
57 1 4 TYR QD 1 76 GLU H . . 6.400 4.203 4.203 4.203 . 0 0 "[ ]" 1
58 1 4 TYR QD 1 76 GLU HB2 . . 5.900 2.591 2.591 2.591 . 0 0 "[ ]" 1
59 1 4 TYR QD 1 76 GLU HB3 . . 5.800 3.284 3.284 3.284 . 0 0 "[ ]" 1
60 1 4 TYR QD 1 78 HIS HA . . 6.200 2.653 2.653 2.653 . 0 0 "[ ]" 1
61 1 4 TYR QD 1 79 PRO QG . . 8.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
62 1 4 TYR QE 1 5 TYR H . . 7.800 6.206 6.206 6.206 . 0 0 "[ ]" 1
63 1 4 TYR QE 1 76 GLU H . . 7.500 5.074 5.074 5.074 . 0 0 "[ ]" 1
64 1 4 TYR QE 1 76 GLU HA . . 7.700 5.488 5.488 5.488 . 0 0 "[ ]" 1
65 1 4 TYR QE 1 76 GLU HB2 . . 6.100 2.890 2.890 2.890 . 0 0 "[ ]" 1
66 1 4 TYR QE 1 76 GLU HB3 . . 5.900 3.338 3.338 3.338 . 0 0 "[ ]" 1
67 1 4 TYR QE 1 76 GLU QG . . 8.600 3.518 3.518 3.518 . 0 0 "[ ]" 1
68 1 4 TYR QE 1 78 HIS HA . . 7.300 4.808 4.808 4.808 . 0 0 "[ ]" 1
69 1 4 TYR QE 1 79 PRO QG . . 7.900 4.597 4.597 4.597 . 0 0 "[ ]" 1
70 1 5 TYR H 1 5 TYR HB2 . . 3.600 2.838 2.838 2.838 . 0 0 "[ ]" 1
71 1 5 TYR H 1 5 TYR HB3 . . 4.200 3.876 3.876 3.876 . 0 0 "[ ]" 1
72 1 5 TYR H 1 5 TYR QE . . 6.700 5.123 5.123 5.123 . 0 0 "[ ]" 1
73 1 5 TYR H 1 6 THR H . . 4.800 4.470 4.470 4.470 . 0 0 "[ ]" 1
74 1 5 TYR H 1 27 VAL MG2 . . 6.400 3.495 3.495 3.495 . 0 0 "[ ]" 1
75 1 5 TYR H 1 76 GLU H . . 4.300 3.726 3.726 3.726 . 0 0 "[ ]" 1
76 1 5 TYR H 1 77 LEU HA . . 3.600 3.446 3.446 3.446 . 0 0 "[ ]" 1
77 1 5 TYR H 1 78 HIS H . . 3.600 3.176 3.176 3.176 . 0 0 "[ ]" 1
78 1 5 TYR H 1 78 HIS HA . . 4.100 3.924 3.924 3.924 . 0 0 "[ ]" 1
79 1 5 TYR H 1 78 HIS QB . . 4.900 3.748 3.748 3.748 . 0 0 "[ ]" 1
80 1 5 TYR H 1 78 HIS HD2 . . 6.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
81 1 5 TYR HA 1 5 TYR QE . . 6.300 4.651 4.651 4.651 . 0 0 "[ ]" 1
82 1 5 TYR HA 1 6 THR H . . 3.000 2.226 2.226 2.226 . 0 0 "[ ]" 1
83 1 5 TYR HA 1 6 THR MG . . 7.000 3.878 3.878 3.878 . 0 0 "[ ]" 1
84 1 5 TYR HB2 1 6 THR H . . 4.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
85 1 5 TYR HB2 1 10 ILE H . . 4.700 4.736 4.736 4.736 0.036 1 0 "[ ]" 1
86 1 5 TYR HB2 1 10 ILE MD . . 5.800 2.192 2.192 2.192 . 0 0 "[ ]" 1
87 1 5 TYR HB2 1 10 ILE QG . . 5.200 2.994 2.994 2.994 . 0 0 "[ ]" 1
88 1 5 TYR HB2 1 10 ILE MG . . 6.800 5.083 5.083 5.083 . 0 0 "[ ]" 1
89 1 5 TYR HB2 1 20 TRP HZ3 . . 4.700 4.715 4.715 4.715 0.015 1 0 "[ ]" 1
90 1 5 TYR HB2 1 27 VAL MG1 . . 7.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
91 1 5 TYR HB2 1 27 VAL MG2 . . 5.800 2.438 2.438 2.438 . 0 0 "[ ]" 1
92 1 5 TYR HB3 1 6 THR H . . 3.700 2.837 2.837 2.837 . 0 0 "[ ]" 1
93 1 5 TYR HB3 1 9 GLU H . . 5.900 5.262 5.262 5.262 . 0 0 "[ ]" 1
94 1 5 TYR HB3 1 9 GLU HB2 . . 5.100 3.391 3.391 3.391 . 0 0 "[ ]" 1
95 1 5 TYR HB3 1 10 ILE H . . 4.400 4.292 4.292 4.292 . 0 0 "[ ]" 1
96 1 5 TYR HB3 1 10 ILE MD . . 5.400 2.809 2.809 2.809 . 0 0 "[ ]" 1
97 1 5 TYR HB3 1 10 ILE QG . . 5.500 3.351 3.351 3.351 . 0 0 "[ ]" 1
98 1 5 TYR HB3 1 10 ILE MG . . 6.400 5.655 5.655 5.655 . 0 0 "[ ]" 1
99 1 5 TYR HB3 1 20 TRP HZ3 . . 4.500 4.008 4.008 4.008 . 0 0 "[ ]" 1
100 1 5 TYR HB3 1 27 VAL MG2 . . 6.500 3.964 3.964 3.964 . 0 0 "[ ]" 1
101 1 5 TYR QD 1 6 THR H . . 7.200 4.097 4.097 4.097 . 0 0 "[ ]" 1
102 1 5 TYR QD 1 20 TRP HH2 . . 6.600 5.422 5.422 5.422 . 0 0 "[ ]" 1
103 1 5 TYR QD 1 20 TRP HZ3 . . 6.400 4.173 4.173 4.173 . 0 0 "[ ]" 1
104 1 5 TYR QD 1 27 VAL HB . . 6.800 2.661 2.661 2.661 . 0 0 "[ ]" 1
105 1 5 TYR QD 1 27 VAL MG1 . . 7.800 2.300 2.300 2.300 . 0 0 "[ ]" 1
106 1 5 TYR QD 1 27 VAL MG2 . . 7.200 2.355 2.355 2.355 . 0 0 "[ ]" 1
107 1 5 TYR QD 1 74 ILE MD . . 8.700 3.466 3.466 3.466 . 0 0 "[ ]" 1
108 1 5 TYR QD 1 74 ILE HG12 . . 7.700 5.082 5.082 5.082 . 0 0 "[ ]" 1
109 1 5 TYR QD 1 74 ILE HG13 . . 8.000 3.471 3.471 3.471 . 0 0 "[ ]" 1
110 1 5 TYR QD 1 75 GLY HA3 . . 7.400 3.122 3.122 3.122 . 0 0 "[ ]" 1
111 1 5 TYR QD 1 76 GLU H . . 7.100 4.641 4.641 4.641 . 0 0 "[ ]" 1
112 1 5 TYR QE 1 9 GLU QG . . 9.000 6.343 6.343 6.343 . 0 0 "[ ]" 1
113 1 5 TYR QE 1 20 TRP HZ3 . . 7.000 4.718 4.718 4.718 . 0 0 "[ ]" 1
114 1 5 TYR QE 1 27 VAL HB . . 7.600 3.494 3.494 3.494 . 0 0 "[ ]" 1
115 1 5 TYR QE 1 27 VAL MG1 . . 9.000 3.365 3.365 3.365 . 0 0 "[ ]" 1
116 1 5 TYR QE 1 27 VAL MG2 . . 8.900 4.241 4.241 4.241 . 0 0 "[ ]" 1
117 1 5 TYR QE 1 74 ILE H . . 8.000 4.327 4.327 4.327 . 0 0 "[ ]" 1
118 1 5 TYR QE 1 74 ILE HB . . 6.500 2.694 2.694 2.694 . 0 0 "[ ]" 1
119 1 5 TYR QE 1 74 ILE MD . . 7.300 2.469 2.469 2.469 . 0 0 "[ ]" 1
120 1 5 TYR QE 1 74 ILE HG12 . . 6.200 3.970 3.970 3.970 . 0 0 "[ ]" 1
121 1 5 TYR QE 1 74 ILE HG13 . . 6.900 2.363 2.363 2.363 . 0 0 "[ ]" 1
122 1 5 TYR QE 1 74 ILE MG . . 8.400 4.188 4.188 4.188 . 0 0 "[ ]" 1
123 1 5 TYR QE 1 75 GLY HA2 . . 6.600 3.940 3.940 3.940 . 0 0 "[ ]" 1
124 1 5 TYR QE 1 75 GLY HA3 . . 6.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
125 1 5 TYR QE 1 76 GLU H . . 7.100 4.962 4.962 4.962 . 0 0 "[ ]" 1
126 1 6 THR H 1 6 THR MG . . 4.000 2.826 2.826 2.826 . 0 0 "[ ]" 1
127 1 6 THR H 1 7 LEU H . . 5.300 4.566 4.566 4.566 . 0 0 "[ ]" 1
128 1 6 THR H 1 9 GLU H . . 4.400 3.985 3.985 3.985 . 0 0 "[ ]" 1
129 1 6 THR H 1 9 GLU HB2 . . 3.500 2.805 2.805 2.805 . 0 0 "[ ]" 1
130 1 6 THR H 1 9 GLU HB3 . . 4.100 4.130 4.130 4.130 0.030 1 0 "[ ]" 1
131 1 6 THR H 1 10 ILE H . . 5.300 4.468 4.468 4.468 . 0 0 "[ ]" 1
132 1 6 THR H 1 78 HIS HD2 . . 6.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
133 1 6 THR HA 1 7 LEU H . . 3.100 2.209 2.209 2.209 . 0 0 "[ ]" 1
134 1 6 THR HA 1 8 GLU H . . 4.500 4.268 4.268 4.268 . 0 0 "[ ]" 1
135 1 6 THR HA 1 9 GLU H . . 5.500 4.597 4.597 4.597 . 0 0 "[ ]" 1
136 1 6 THR HA 1 78 HIS H . . 3.600 3.163 3.163 3.163 . 0 0 "[ ]" 1
137 1 6 THR HA 1 78 HIS QB . . 4.000 2.180 2.180 2.180 . 0 0 "[ ]" 1
138 1 6 THR HA 1 78 HIS HD2 . . 5.100 4.431 4.431 4.431 . 0 0 "[ ]" 1
139 1 6 THR HB 1 7 LEU H . . 3.200 3.208 3.208 3.208 0.008 1 0 "[ ]" 1
140 1 6 THR HB 1 8 GLU H . . 3.400 2.996 2.996 2.996 . 0 0 "[ ]" 1
141 1 6 THR HB 1 9 GLU H . . 4.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
142 1 6 THR HB 1 78 HIS QB . . 4.900 4.248 4.248 4.248 . 0 0 "[ ]" 1
143 1 6 THR MG 1 7 LEU H . . 5.200 3.415 3.415 3.415 . 0 0 "[ ]" 1
144 1 6 THR MG 1 8 GLU H . . 6.300 4.295 4.295 4.295 . 0 0 "[ ]" 1
145 1 6 THR MG 1 9 GLU H . . 6.900 4.472 4.472 4.472 . 0 0 "[ ]" 1
146 1 6 THR MG 1 78 HIS H . . 6.200 4.266 4.266 4.266 . 0 0 "[ ]" 1
147 1 6 THR MG 1 78 HIS QB . . 5.200 2.367 2.367 2.367 . 0 0 "[ ]" 1
148 1 6 THR MG 1 78 HIS HD2 . . 5.000 3.124 3.124 3.124 . 0 0 "[ ]" 1
149 1 7 LEU H 1 7 LEU HB2 . . 3.400 2.395 2.395 2.395 . 0 0 "[ ]" 1
150 1 7 LEU H 1 7 LEU HB3 . . 3.400 2.585 2.585 2.585 . 0 0 "[ ]" 1
151 1 7 LEU H 1 7 LEU MD1 . . 5.600 4.171 4.171 4.171 . 0 0 "[ ]" 1
152 1 7 LEU H 1 7 LEU MD2 . . 5.500 4.272 4.272 4.272 . 0 0 "[ ]" 1
153 1 7 LEU H 1 7 LEU HG . . 4.400 4.395 4.395 4.395 . 0 0 "[ ]" 1
154 1 7 LEU H 1 8 GLU H . . 3.600 2.835 2.835 2.835 . 0 0 "[ ]" 1
155 1 7 LEU H 1 8 GLU HB2 . . 6.000 5.165 5.165 5.165 . 0 0 "[ ]" 1
156 1 7 LEU H 1 8 GLU HB3 . . 6.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
157 1 7 LEU H 1 9 GLU H . . 4.900 4.415 4.415 4.415 . 0 0 "[ ]" 1
158 1 7 LEU H 1 10 ILE HB . . 6.000 5.032 5.032 5.032 . 0 0 "[ ]" 1
159 1 7 LEU H 1 77 LEU MD1 . . 4.900 3.291 3.291 3.291 . 0 0 "[ ]" 1
160 1 7 LEU H 1 78 HIS QB . . 5.600 3.672 3.672 3.672 . 0 0 "[ ]" 1
161 1 7 LEU H 1 81 ASP HB2 . . 4.800 3.630 3.630 3.630 . 0 0 "[ ]" 1
162 1 7 LEU H 1 81 ASP HB3 . . 4.700 3.792 3.792 3.792 . 0 0 "[ ]" 1
163 1 7 LEU HA 1 7 LEU MD2 . . 4.500 3.491 3.491 3.491 . 0 0 "[ ]" 1
164 1 7 LEU HA 1 8 GLU H . . 4.500 3.538 3.538 3.538 . 0 0 "[ ]" 1
165 1 7 LEU HA 1 9 GLU H . . 5.600 4.362 4.362 4.362 . 0 0 "[ ]" 1
166 1 7 LEU HA 1 10 ILE H . . 3.700 3.288 3.288 3.288 . 0 0 "[ ]" 1
167 1 7 LEU HA 1 10 ILE HB . . 3.100 2.377 2.377 2.377 . 0 0 "[ ]" 1
168 1 7 LEU HA 1 10 ILE MD . . 7.000 4.491 4.491 4.491 . 0 0 "[ ]" 1
169 1 7 LEU HA 1 10 ILE QG . . 5.100 2.865 2.865 2.865 . 0 0 "[ ]" 1
170 1 7 LEU HA 1 10 ILE MG . . 5.300 3.833 3.833 3.833 . 0 0 "[ ]" 1
171 1 7 LEU HA 1 11 GLN H . . 4.500 3.939 3.939 3.939 . 0 0 "[ ]" 1
172 1 7 LEU HA 1 77 LEU MD1 . . 5.100 3.239 3.239 3.239 . 0 0 "[ ]" 1
173 1 7 LEU HB2 1 8 GLU H . . 4.100 3.862 3.862 3.862 . 0 0 "[ ]" 1
174 1 7 LEU HB2 1 77 LEU MD1 . . 5.000 2.472 2.472 2.472 . 0 0 "[ ]" 1
175 1 7 LEU HB2 1 81 ASP HB2 . . 4.900 3.555 3.555 3.555 . 0 0 "[ ]" 1
176 1 7 LEU HB2 1 81 ASP HB3 . . 3.500 2.715 2.715 2.715 . 0 0 "[ ]" 1
177 1 7 LEU HB3 1 8 GLU H . . 3.500 2.635 2.635 2.635 . 0 0 "[ ]" 1
178 1 7 LEU HB3 1 77 LEU MD1 . . 5.500 3.975 3.975 3.975 . 0 0 "[ ]" 1
179 1 7 LEU HB3 1 81 ASP HB3 . . 4.100 3.682 3.682 3.682 . 0 0 "[ ]" 1
180 1 7 LEU MD1 1 8 GLU H . . 6.000 4.838 4.838 4.838 . 0 0 "[ ]" 1
181 1 7 LEU MD1 1 11 GLN H . . 7.000 5.462 5.462 5.462 . 0 0 "[ ]" 1
182 1 7 LEU MD1 1 81 ASP HB2 . . 6.900 4.324 4.324 4.324 . 0 0 "[ ]" 1
183 1 7 LEU MD1 1 81 ASP HB3 . . 6.000 3.091 3.091 3.091 . 0 0 "[ ]" 1
184 1 7 LEU MD2 1 11 GLN H . . 6.300 3.897 3.897 3.897 . 0 0 "[ ]" 1
185 1 7 LEU HG 1 8 GLU H . . 4.400 4.421 4.421 4.421 0.021 1 0 "[ ]" 1
186 1 7 LEU HG 1 77 LEU MD1 . . 4.700 3.920 3.920 3.920 . 0 0 "[ ]" 1
187 1 8 GLU H 1 8 GLU HB2 . . 3.200 2.518 2.518 2.518 . 0 0 "[ ]" 1
188 1 8 GLU H 1 8 GLU HB3 . . 3.400 2.412 2.412 2.412 . 0 0 "[ ]" 1
189 1 8 GLU H 1 8 GLU HG2 . . 4.700 4.552 4.552 4.552 . 0 0 "[ ]" 1
190 1 8 GLU H 1 8 GLU HG3 . . 4.500 4.387 4.387 4.387 . 0 0 "[ ]" 1
191 1 8 GLU H 1 9 GLU H . . 3.600 3.072 3.072 3.072 . 0 0 "[ ]" 1
192 1 8 GLU H 1 10 ILE H . . 4.700 4.453 4.453 4.453 . 0 0 "[ ]" 1
193 1 8 GLU HA 1 8 GLU HG2 . . 3.800 3.817 3.817 3.817 0.017 1 0 "[ ]" 1
194 1 8 GLU HA 1 8 GLU HG3 . . 3.300 3.347 3.347 3.347 0.047 1 0 "[ ]" 1
195 1 8 GLU HA 1 9 GLU H . . 4.200 3.620 3.620 3.620 . 0 0 "[ ]" 1
196 1 8 GLU HA 1 9 GLU HA . . 5.400 4.796 4.796 4.796 . 0 0 "[ ]" 1
197 1 8 GLU HA 1 10 ILE H . . 5.200 4.950 4.950 4.950 . 0 0 "[ ]" 1
198 1 8 GLU HA 1 11 GLN H . . 3.900 3.823 3.823 3.823 . 0 0 "[ ]" 1
199 1 8 GLU HA 1 11 GLN HB2 . . 3.800 3.140 3.140 3.140 . 0 0 "[ ]" 1
200 1 8 GLU HA 1 11 GLN QG . . 6.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
201 1 8 GLU HB2 1 8 GLU HG2 . . 3.000 2.424 2.424 2.424 . 0 0 "[ ]" 1
202 1 8 GLU HB2 1 9 GLU H . . 3.800 3.851 3.851 3.851 0.051 1 0 "[ ]" 1
203 1 8 GLU HB2 1 9 GLU HA . . 5.800 5.655 5.655 5.655 . 0 0 "[ ]" 1
204 1 8 GLU HB3 1 8 GLU HG2 . . 3.000 2.442 2.442 2.442 . 0 0 "[ ]" 1
205 1 8 GLU HB3 1 9 GLU H . . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
206 1 8 GLU HB3 1 9 GLU HA . . 5.700 4.509 4.509 4.509 . 0 0 "[ ]" 1
207 1 8 GLU HG2 1 9 GLU HA . . 5.500 5.117 5.117 5.117 . 0 0 "[ ]" 1
208 1 8 GLU HG3 1 9 GLU HA . . 3.700 3.374 3.374 3.374 . 0 0 "[ ]" 1
209 1 9 GLU H 1 9 GLU HB2 . . 3.300 2.136 2.136 2.136 . 0 0 "[ ]" 1
210 1 9 GLU H 1 9 GLU HB3 . . 3.300 3.406 3.406 3.406 0.106 1 0 "[ ]" 1
211 1 9 GLU H 1 10 ILE H . . 3.300 2.693 2.693 2.693 . 0 0 "[ ]" 1
212 1 9 GLU H 1 10 ILE HA . . 5.900 5.274 5.274 5.274 . 0 0 "[ ]" 1
213 1 9 GLU H 1 10 ILE HB . . 5.400 4.841 4.841 4.841 . 0 0 "[ ]" 1
214 1 9 GLU H 1 10 ILE QG . . 7.000 4.116 4.116 4.116 . 0 0 "[ ]" 1
215 1 9 GLU H 1 10 ILE MG . . 7.000 5.889 5.889 5.889 . 0 0 "[ ]" 1
216 1 9 GLU H 1 11 GLN H . . 4.600 4.203 4.203 4.203 . 0 0 "[ ]" 1
217 1 9 GLU HA 1 10 ILE H . . 3.900 3.581 3.581 3.581 . 0 0 "[ ]" 1
218 1 9 GLU HA 1 10 ILE HB . . 6.000 5.845 5.845 5.845 . 0 0 "[ ]" 1
219 1 9 GLU HA 1 11 GLN H . . 4.400 4.420 4.420 4.420 0.020 1 0 "[ ]" 1
220 1 9 GLU HA 1 12 LYS H . . 4.200 3.518 3.518 3.518 . 0 0 "[ ]" 1
221 1 9 GLU HA 1 12 LYS QE . . 5.800 2.053 2.053 2.053 . 0 0 "[ ]" 1
222 1 9 GLU HA 1 12 LYS QG . . 4.800 4.172 4.172 4.172 . 0 0 "[ ]" 1
223 1 9 GLU HB2 1 10 ILE H . . 3.600 2.667 2.667 2.667 . 0 0 "[ ]" 1
224 1 9 GLU HB2 1 10 ILE HA . . 4.900 4.782 4.782 4.782 . 0 0 "[ ]" 1
225 1 9 GLU HB2 1 11 GLN H . . 6.000 5.262 5.262 5.262 . 0 0 "[ ]" 1
226 1 9 GLU HB2 1 20 TRP HZ3 . . 5.200 5.236 5.236 5.236 0.036 1 0 "[ ]" 1
227 1 9 GLU HB3 1 10 ILE H . . 4.100 3.026 3.026 3.026 . 0 0 "[ ]" 1
228 1 9 GLU HB3 1 10 ILE HA . . 5.600 4.043 4.043 4.043 . 0 0 "[ ]" 1
229 1 9 GLU HB3 1 13 HIS HD2 . . 4.800 3.290 3.290 3.290 . 0 0 "[ ]" 1
230 1 9 GLU HB3 1 20 TRP HZ3 . . 4.500 3.838 3.838 3.838 . 0 0 "[ ]" 1
231 1 9 GLU QG 1 13 HIS HD2 . . 5.300 4.268 4.268 4.268 . 0 0 "[ ]" 1
232 1 9 GLU QG 1 20 TRP HZ3 . . 6.000 4.962 4.962 4.962 . 0 0 "[ ]" 1
233 1 10 ILE H 1 10 ILE HB . . 3.200 2.586 2.586 2.586 . 0 0 "[ ]" 1
234 1 10 ILE H 1 10 ILE MD . . 5.000 2.903 2.903 2.903 . 0 0 "[ ]" 1
235 1 10 ILE H 1 10 ILE QG . . 4.700 1.943 1.943 1.943 . 0 0 "[ ]" 1
236 1 10 ILE H 1 10 ILE MG . . 4.600 3.773 3.773 3.773 . 0 0 "[ ]" 1
237 1 10 ILE H 1 11 GLN H . . 3.300 3.030 3.030 3.030 . 0 0 "[ ]" 1
238 1 10 ILE H 1 12 LYS H . . 5.000 4.308 4.308 4.308 . 0 0 "[ ]" 1
239 1 10 ILE H 1 13 HIS HD2 . . 4.800 4.309 4.309 4.309 . 0 0 "[ ]" 1
240 1 10 ILE H 1 20 TRP HZ3 . . 5.600 5.378 5.378 5.378 . 0 0 "[ ]" 1
241 1 10 ILE HA 1 11 GLN H . . 3.900 3.592 3.592 3.592 . 0 0 "[ ]" 1
242 1 10 ILE HA 1 12 LYS H . . 4.400 3.879 3.879 3.879 . 0 0 "[ ]" 1
243 1 10 ILE HA 1 13 HIS H . . 4.000 3.189 3.189 3.189 . 0 0 "[ ]" 1
244 1 10 ILE HA 1 13 HIS HB2 . . 4.400 2.543 2.543 2.543 . 0 0 "[ ]" 1
245 1 10 ILE HA 1 13 HIS HB3 . . 5.600 4.203 4.203 4.203 . 0 0 "[ ]" 1
246 1 10 ILE HA 1 13 HIS HD2 . . 3.400 2.976 2.976 2.976 . 0 0 "[ ]" 1
247 1 10 ILE HA 1 20 TRP HE3 . . 3.400 2.881 2.881 2.881 . 0 0 "[ ]" 1
248 1 10 ILE HA 1 20 TRP HZ3 . . 4.300 4.300 4.300 4.300 . 1 0 "[ ]" 1
249 1 10 ILE HA 1 27 VAL MG1 . . 7.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
250 1 10 ILE HB 1 11 GLN H . . 3.300 2.826 2.826 2.826 . 0 0 "[ ]" 1
251 1 10 ILE HB 1 11 GLN QG . . 6.200 3.772 3.772 3.772 . 0 0 "[ ]" 1
252 1 10 ILE HB 1 27 VAL MG1 . . 7.000 4.985 4.985 4.985 . 0 0 "[ ]" 1
253 1 10 ILE MD 1 13 HIS HD2 . . 6.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
254 1 10 ILE MD 1 20 TRP HE3 . . 5.300 1.970 1.970 1.970 . 0 0 "[ ]" 1
255 1 10 ILE MD 1 20 TRP HZ3 . . 5.800 2.828 2.828 2.828 . 0 0 "[ ]" 1
256 1 10 ILE MD 1 27 VAL MG1 . . 7.000 1.884 1.884 1.884 . 0 0 "[ ]" 1
257 1 10 ILE MD 1 27 VAL MG2 . . 7.600 2.126 2.126 2.126 . 0 0 "[ ]" 1
258 1 10 ILE QG 1 11 GLN H . . 5.100 4.176 4.176 4.176 . 0 0 "[ ]" 1
259 1 10 ILE QG 1 12 LYS H . . 7.000 5.630 5.630 5.630 . 0 0 "[ ]" 1
260 1 10 ILE QG 1 13 HIS HD2 . . 5.500 5.003 5.003 5.003 . 0 0 "[ ]" 1
261 1 10 ILE QG 1 20 TRP HE3 . . 4.800 4.064 4.064 4.064 . 0 0 "[ ]" 1
262 1 10 ILE QG 1 20 TRP HZ3 . . 5.700 4.827 4.827 4.827 . 0 0 "[ ]" 1
263 1 10 ILE QG 1 27 VAL MG1 . . 6.100 3.268 3.268 3.268 . 0 0 "[ ]" 1
264 1 10 ILE QG 1 27 VAL MG2 . . 7.100 2.440 2.440 2.440 . 0 0 "[ ]" 1
265 1 10 ILE MG 1 11 GLN H . . 6.300 3.531 3.531 3.531 . 0 0 "[ ]" 1
266 1 10 ILE MG 1 12 LYS H . . 7.000 4.807 4.807 4.807 . 0 0 "[ ]" 1
267 1 10 ILE MG 1 13 HIS HD2 . . 6.400 4.816 4.816 4.816 . 0 0 "[ ]" 1
268 1 10 ILE MG 1 20 TRP HE3 . . 4.500 3.419 3.419 3.419 . 0 0 "[ ]" 1
269 1 10 ILE MG 1 20 TRP HZ3 . . 7.000 5.321 5.321 5.321 . 0 0 "[ ]" 1
270 1 10 ILE MG 1 27 VAL MG1 . . 6.200 3.012 3.012 3.012 . 0 0 "[ ]" 1
271 1 10 ILE MG 1 27 VAL MG2 . . 5.200 3.148 3.148 3.148 . 0 0 "[ ]" 1
272 1 11 GLN H 1 11 GLN HB2 . . 3.100 2.396 2.396 2.396 . 0 0 "[ ]" 1
273 1 11 GLN H 1 11 GLN HB3 . . 3.700 3.606 3.606 3.606 . 0 0 "[ ]" 1
274 1 11 GLN H 1 11 GLN QG . . 4.500 2.476 2.476 2.476 . 0 0 "[ ]" 1
275 1 11 GLN H 1 12 LYS H . . 3.600 2.814 2.814 2.814 . 0 0 "[ ]" 1
276 1 11 GLN H 1 12 LYS QE . . 6.400 4.620 4.620 4.620 . 0 0 "[ ]" 1
277 1 11 GLN H 1 12 LYS QG . . 5.900 4.945 4.945 4.945 . 0 0 "[ ]" 1
278 1 11 GLN H 1 13 HIS H . . 4.500 4.076 4.076 4.076 . 0 0 "[ ]" 1
279 1 11 GLN HA 1 12 LYS H . . 4.200 3.493 3.493 3.493 . 0 0 "[ ]" 1
280 1 11 GLN HA 1 13 HIS H . . 3.800 3.818 3.818 3.818 0.018 1 0 "[ ]" 1
281 1 11 GLN HA 1 49 GLY HA2 . . 4.000 2.330 2.330 2.330 . 0 0 "[ ]" 1
282 1 11 GLN HA 1 49 GLY HA3 . . 3.900 2.415 2.415 2.415 . 0 0 "[ ]" 1
283 1 11 GLN HB2 1 12 LYS H . . 4.000 3.269 3.269 3.269 . 0 0 "[ ]" 1
284 1 11 GLN HB2 1 12 LYS QG . . 5.800 4.001 4.001 4.001 . 0 0 "[ ]" 1
285 1 11 GLN HB3 1 12 LYS H . . 4.500 3.936 3.936 3.936 . 0 0 "[ ]" 1
286 1 11 GLN QG 1 12 LYS H . . 6.400 4.466 4.466 4.466 . 0 0 "[ ]" 1
287 1 12 LYS H 1 12 LYS HB2 . . 3.600 2.205 2.205 2.205 . 0 0 "[ ]" 1
288 1 12 LYS H 1 12 LYS HB3 . . 3.900 3.483 3.483 3.483 . 0 0 "[ ]" 1
289 1 12 LYS H 1 12 LYS QE . . 6.700 3.159 3.159 3.159 . 0 0 "[ ]" 1
290 1 12 LYS H 1 12 LYS QG . . 4.400 2.927 2.927 2.927 . 0 0 "[ ]" 1
291 1 12 LYS H 1 13 HIS H . . 3.400 2.298 2.298 2.298 . 0 0 "[ ]" 1
292 1 12 LYS H 1 13 HIS HA . . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1
293 1 12 LYS H 1 13 HIS HB2 . . 5.600 4.330 4.330 4.330 . 0 0 "[ ]" 1
294 1 12 LYS H 1 13 HIS HB3 . . 5.700 5.775 5.775 5.775 0.075 1 0 "[ ]" 1
295 1 12 LYS H 1 13 HIS HD2 . . 4.400 3.705 3.705 3.705 . 0 0 "[ ]" 1
296 1 12 LYS HA 1 13 HIS H . . 4.000 3.489 3.489 3.489 . 0 0 "[ ]" 1
297 1 12 LYS HB2 1 13 HIS H . . 4.000 3.287 3.287 3.287 . 0 0 "[ ]" 1
298 1 12 LYS HB2 1 13 HIS HD2 . . 3.600 3.346 3.346 3.346 . 0 0 "[ ]" 1
299 1 12 LYS HB3 1 12 LYS QE . . 5.100 3.104 3.104 3.104 . 0 0 "[ ]" 1
300 1 12 LYS HB3 1 13 HIS H . . 4.700 3.821 3.821 3.821 . 0 0 "[ ]" 1
301 1 12 LYS HB3 1 13 HIS HD2 . . 4.000 4.114 4.114 4.114 0.114 1 0 "[ ]" 1
302 1 12 LYS QG 1 13 HIS H . . 5.600 4.456 4.456 4.456 . 0 0 "[ ]" 1
303 1 13 HIS H 1 13 HIS HB2 . . 3.500 2.355 2.355 2.355 . 0 0 "[ ]" 1
304 1 13 HIS H 1 13 HIS HB3 . . 3.800 3.580 3.580 3.580 . 0 0 "[ ]" 1
305 1 13 HIS H 1 13 HIS HD2 . . 3.600 2.972 2.972 2.972 . 0 0 "[ ]" 1
306 1 13 HIS H 1 14 ASN H . . 4.400 3.467 3.467 3.467 . 0 0 "[ ]" 1
307 1 13 HIS H 1 14 ASN HB3 . . 6.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
308 1 13 HIS H 1 20 TRP H . . 5.200 5.206 5.206 5.206 0.006 1 0 "[ ]" 1
309 1 13 HIS HA 1 13 HIS HD2 . . 4.100 4.136 4.136 4.136 0.036 1 0 "[ ]" 1
310 1 13 HIS HA 1 13 HIS HE1 . . 5.600 5.014 5.014 5.014 . 0 0 "[ ]" 1
311 1 13 HIS HA 1 14 ASN H . . 3.700 2.567 2.567 2.567 . 0 0 "[ ]" 1
312 1 13 HIS HA 1 14 ASN HB3 . . 5.400 4.926 4.926 4.926 . 0 0 "[ ]" 1
313 1 13 HIS HA 1 20 TRP H . . 4.700 4.435 4.435 4.435 . 0 0 "[ ]" 1
314 1 13 HIS HB2 1 13 HIS HD2 . . 4.100 2.651 2.651 2.651 . 0 0 "[ ]" 1
315 1 13 HIS HB2 1 20 TRP H . . 3.900 3.913 3.913 3.913 0.013 1 0 "[ ]" 1
316 1 13 HIS HB2 1 20 TRP HB2 . . 4.100 2.554 2.554 2.554 . 0 0 "[ ]" 1
317 1 13 HIS HB2 1 20 TRP HE3 . . 5.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
318 1 13 HIS HB3 1 14 ASN H . . 4.400 4.401 4.401 4.401 0.001 1 0 "[ ]" 1
319 1 13 HIS HB3 1 20 TRP H . . 3.900 3.141 3.141 3.141 . 0 0 "[ ]" 1
320 1 13 HIS HB3 1 20 TRP HB2 . . 4.400 2.628 2.628 2.628 . 0 0 "[ ]" 1
321 1 13 HIS HB3 1 20 TRP HE3 . . 5.300 3.435 3.435 3.435 . 0 0 "[ ]" 1
322 1 13 HIS HE1 1 20 TRP HH2 . . 5.100 3.535 3.535 3.535 . 0 0 "[ ]" 1
323 1 13 HIS HE1 1 20 TRP HZ2 . . 4.200 3.899 3.899 3.899 . 0 0 "[ ]" 1
324 1 14 ASN H 1 14 ASN HB2 . . 4.000 3.796 3.796 3.796 . 0 0 "[ ]" 1
325 1 14 ASN H 1 14 ASN HB3 . . 3.800 2.998 2.998 2.998 . 0 0 "[ ]" 1
326 1 14 ASN H 1 14 ASN HD21 . . 4.400 4.803 4.803 4.803 0.403 1 0 "[ ]" 1
327 1 14 ASN H 1 15 ASN H . . 3.200 2.889 2.889 2.889 . 0 0 "[ ]" 1
328 1 14 ASN H 1 15 ASN HB2 . . 6.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
329 1 14 ASN H 1 15 ASN HB3 . . 5.100 4.351 4.351 4.351 . 0 0 "[ ]" 1
330 1 14 ASN HA 1 15 ASN H . . 3.700 2.929 2.929 2.929 . 0 0 "[ ]" 1
331 1 14 ASN HA 1 48 ALA MB . . 5.300 2.211 2.211 2.211 . 0 0 "[ ]" 1
332 1 14 ASN HB2 1 14 ASN HD21 . . 3.600 2.366 2.366 2.366 . 0 0 "[ ]" 1
333 1 14 ASN HB2 1 14 ASN HD22 . . 3.600 3.565 3.565 3.565 . 0 0 "[ ]" 1
334 1 14 ASN HB2 1 15 ASN H . . 5.000 4.574 4.574 4.574 . 0 0 "[ ]" 1
335 1 14 ASN HB2 1 48 ALA MB . . 5.200 2.962 2.962 2.962 . 0 0 "[ ]" 1
336 1 14 ASN HB2 1 49 GLY HA3 . . 5.100 2.983 2.983 2.983 . 0 0 "[ ]" 1
337 1 14 ASN HB3 1 14 ASN HD21 . . 3.600 2.822 2.822 2.822 . 0 0 "[ ]" 1
338 1 14 ASN HB3 1 14 ASN HD22 . . 3.700 3.729 3.729 3.729 0.029 1 0 "[ ]" 1
339 1 14 ASN HB3 1 15 ASN H . . 5.100 4.738 4.738 4.738 . 0 0 "[ ]" 1
340 1 14 ASN HB3 1 48 ALA MB . . 5.000 3.747 3.747 3.747 . 0 0 "[ ]" 1
341 1 14 ASN HB3 1 49 GLY HA3 . . 5.000 2.316 2.316 2.316 . 0 0 "[ ]" 1
342 1 15 ASN H 1 15 ASN HB2 . . 4.200 3.309 3.309 3.309 . 0 0 "[ ]" 1
343 1 15 ASN H 1 15 ASN HB3 . . 3.600 3.195 3.195 3.195 . 0 0 "[ ]" 1
344 1 15 ASN H 1 15 ASN HD21 . . 5.200 5.474 5.474 5.474 0.274 1 0 "[ ]" 1
345 1 15 ASN H 1 16 SER H . . 5.100 4.442 4.442 4.442 . 0 0 "[ ]" 1
346 1 15 ASN H 1 18 SER H . . 4.900 3.040 3.040 3.040 . 0 0 "[ ]" 1
347 1 15 ASN H 1 19 THR HA . . 5.000 2.914 2.914 2.914 . 0 0 "[ ]" 1
348 1 15 ASN H 1 19 THR MG . . 5.900 4.239 4.239 4.239 . 0 0 "[ ]" 1
349 1 15 ASN HA 1 17 LYS H . . 5.100 4.821 4.821 4.821 . 0 0 "[ ]" 1
350 1 15 ASN HA 1 18 SER H . . 5.100 4.638 4.638 4.638 . 0 0 "[ ]" 1
351 1 15 ASN HB2 1 15 ASN HD21 . . 3.500 2.966 2.966 2.966 . 0 0 "[ ]" 1
352 1 15 ASN HB2 1 17 LYS H . . 4.700 4.834 4.834 4.834 0.134 1 0 "[ ]" 1
353 1 15 ASN HB3 1 15 ASN HD21 . . 3.600 2.313 2.313 2.313 . 0 0 "[ ]" 1
354 1 15 ASN HB3 1 17 LYS H . . 5.000 3.124 3.124 3.124 . 0 0 "[ ]" 1
355 1 17 LYS H 1 17 LYS HB2 . . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
356 1 17 LYS H 1 17 LYS HB3 . . 3.600 3.465 3.465 3.465 . 0 0 "[ ]" 1
357 1 17 LYS H 1 17 LYS HG2 . . 4.100 4.102 4.102 4.102 0.002 1 0 "[ ]" 1
358 1 17 LYS H 1 17 LYS HG3 . . 4.700 3.244 3.244 3.244 . 0 0 "[ ]" 1
359 1 17 LYS H 1 18 SER H . . 3.100 2.701 2.701 2.701 . 0 0 "[ ]" 1
360 1 17 LYS HA 1 17 LYS QD . . 4.900 3.889 3.889 3.889 . 0 0 "[ ]" 1
361 1 17 LYS HA 1 17 LYS HG2 . . 3.700 2.271 2.271 2.271 . 0 0 "[ ]" 1
362 1 17 LYS HA 1 17 LYS HG3 . . 3.500 2.811 2.811 2.811 . 0 0 "[ ]" 1
363 1 17 LYS HA 1 18 SER H . . 4.000 3.485 3.485 3.485 . 0 0 "[ ]" 1
364 1 17 LYS HA 1 31 THR MG . . 4.900 3.516 3.516 3.516 . 0 0 "[ ]" 1
365 1 17 LYS HB2 1 18 SER H . . 4.100 3.471 3.471 3.471 . 0 0 "[ ]" 1
366 1 17 LYS HB2 1 18 SER HB2 . . 5.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
367 1 17 LYS HB3 1 18 SER H . . 4.100 3.694 3.694 3.694 . 0 0 "[ ]" 1
368 1 17 LYS HB3 1 18 SER HB2 . . 4.700 3.777 3.777 3.777 . 0 0 "[ ]" 1
369 1 17 LYS QD 1 18 SER H . . 7.000 5.352 5.352 5.352 . 0 0 "[ ]" 1
370 1 17 LYS HG2 1 18 SER H . . 5.500 5.236 5.236 5.236 . 0 0 "[ ]" 1
371 1 17 LYS HG3 1 18 SER H . . 5.200 5.215 5.215 5.215 0.015 1 0 "[ ]" 1
372 1 18 SER H 1 18 SER HB2 . . 4.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
373 1 18 SER H 1 18 SER HB3 . . 4.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
374 1 18 SER H 1 19 THR H . . 4.200 3.647 3.647 3.647 . 0 0 "[ ]" 1
375 1 18 SER H 1 31 THR MG . . 5.300 3.163 3.163 3.163 . 0 0 "[ ]" 1
376 1 18 SER HA 1 19 THR H . . 3.200 2.289 2.289 2.289 . 0 0 "[ ]" 1
377 1 18 SER HA 1 31 THR H . . 5.100 4.723 4.723 4.723 . 0 0 "[ ]" 1
378 1 18 SER HA 1 31 THR MG . . 4.600 2.234 2.234 2.234 . 0 0 "[ ]" 1
379 1 18 SER HB3 1 19 THR H . . 5.100 3.712 3.712 3.712 . 0 0 "[ ]" 1
380 1 19 THR H 1 19 THR HB . . 3.400 2.622 2.622 2.622 . 0 0 "[ ]" 1
381 1 19 THR H 1 20 TRP H . . 4.400 3.888 3.888 3.888 . 0 0 "[ ]" 1
382 1 19 THR H 1 30 LEU H . . 4.300 4.182 4.182 4.182 . 0 0 "[ ]" 1
383 1 19 THR H 1 31 THR HA . . 3.500 2.641 2.641 2.641 . 0 0 "[ ]" 1
384 1 19 THR H 1 31 THR MG . . 4.700 2.583 2.583 2.583 . 0 0 "[ ]" 1
385 1 19 THR H 1 34 LEU MD1 . . 6.200 4.341 4.341 4.341 . 0 0 "[ ]" 1
386 1 19 THR H 1 34 LEU MD2 . . 6.300 4.626 4.626 4.626 . 0 0 "[ ]" 1
387 1 19 THR HA 1 20 TRP H . . 3.100 2.247 2.247 2.247 . 0 0 "[ ]" 1
388 1 19 THR HA 1 20 TRP HA . . 4.800 4.459 4.459 4.459 . 0 0 "[ ]" 1
389 1 19 THR HA 1 48 ALA MB . . 5.700 2.705 2.705 2.705 . 0 0 "[ ]" 1
390 1 19 THR HB 1 20 TRP H . . 4.900 4.564 4.564 4.564 . 0 0 "[ ]" 1
391 1 19 THR HB 1 30 LEU H . . 6.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
392 1 19 THR HB 1 31 THR H . . 5.100 3.878 3.878 3.878 . 0 0 "[ ]" 1
393 1 19 THR HB 1 31 THR HA . . 3.700 2.464 2.464 2.464 . 0 0 "[ ]" 1
394 1 19 THR HB 1 31 THR MG . . 6.100 3.854 3.854 3.854 . 0 0 "[ ]" 1
395 1 19 THR HB 1 34 LEU MD1 . . 4.700 3.252 3.252 3.252 . 0 0 "[ ]" 1
396 1 19 THR HB 1 34 LEU MD2 . . 4.700 2.511 2.511 2.511 . 0 0 "[ ]" 1
397 1 19 THR HB 1 34 LEU HG . . 4.700 3.422 3.422 3.422 . 0 0 "[ ]" 1
398 1 19 THR HB 1 48 ALA MB . . 5.800 4.329 4.329 4.329 . 0 0 "[ ]" 1
399 1 19 THR MG 1 20 TRP H . . 4.800 3.552 3.552 3.552 . 0 0 "[ ]" 1
400 1 19 THR MG 1 20 TRP HA . . 6.800 4.023 4.023 4.023 . 0 0 "[ ]" 1
401 1 19 THR MG 1 21 LEU MD2 . . 6.300 3.120 3.120 3.120 . 0 0 "[ ]" 1
402 1 19 THR MG 1 30 LEU H . . 5.500 3.884 3.884 3.884 . 0 0 "[ ]" 1
403 1 19 THR MG 1 30 LEU HB2 . . 5.000 2.936 2.936 2.936 . 0 0 "[ ]" 1
404 1 19 THR MG 1 30 LEU HB3 . . 5.700 4.269 4.269 4.269 . 0 0 "[ ]" 1
405 1 19 THR MG 1 30 LEU MD1 . . 5.900 3.455 3.455 3.455 . 0 0 "[ ]" 1
406 1 19 THR MG 1 31 THR H . . 7.000 4.922 4.922 4.922 . 0 0 "[ ]" 1
407 1 19 THR MG 1 34 LEU MD1 . . 5.200 3.554 3.554 3.554 . 0 0 "[ ]" 1
408 1 19 THR MG 1 34 LEU MD2 . . 5.000 2.056 2.056 2.056 . 0 0 "[ ]" 1
409 1 19 THR MG 1 34 LEU HG . . 6.400 4.127 4.127 4.127 . 0 0 "[ ]" 1
410 1 19 THR MG 1 45 ARG HA . . 5.500 2.186 2.186 2.186 . 0 0 "[ ]" 1
411 1 19 THR MG 1 45 ARG QB . . 6.800 2.671 2.671 2.671 . 0 0 "[ ]" 1
412 1 19 THR MG 1 48 ALA H . . 6.200 3.968 3.968 3.968 . 0 0 "[ ]" 1
413 1 19 THR MG 1 48 ALA HA . . 4.800 3.961 3.961 3.961 . 0 0 "[ ]" 1
414 1 19 THR MG 1 48 ALA MB . . 4.800 1.965 1.965 1.965 . 0 0 "[ ]" 1
415 1 19 THR MG 1 49 GLY H . . 5.900 4.779 4.779 4.779 . 0 0 "[ ]" 1
416 1 20 TRP H 1 20 TRP HB2 . . 3.900 2.609 2.609 2.609 . 0 0 "[ ]" 1
417 1 20 TRP H 1 20 TRP HB3 . . 4.100 3.732 3.732 3.732 . 0 0 "[ ]" 1
418 1 20 TRP H 1 20 TRP HD1 . . 4.500 3.377 3.377 3.377 . 0 0 "[ ]" 1
419 1 20 TRP H 1 21 LEU H . . 5.100 4.443 4.443 4.443 . 0 0 "[ ]" 1
420 1 20 TRP H 1 48 ALA HA . . 4.700 4.715 4.715 4.715 0.015 1 0 "[ ]" 1
421 1 20 TRP H 1 48 ALA MB . . 5.300 2.897 2.897 2.897 . 0 0 "[ ]" 1
422 1 20 TRP H 1 49 GLY H . . 4.500 3.815 3.815 3.815 . 0 0 "[ ]" 1
423 1 20 TRP HA 1 20 TRP HD1 . . 3.300 2.852 2.852 2.852 . 0 0 "[ ]" 1
424 1 20 TRP HA 1 20 TRP HE1 . . 5.600 5.192 5.192 5.192 . 0 0 "[ ]" 1
425 1 20 TRP HA 1 21 LEU H . . 3.100 2.238 2.238 2.238 . 0 0 "[ ]" 1
426 1 20 TRP HA 1 21 LEU HA . . 5.100 4.490 4.490 4.490 . 0 0 "[ ]" 1
427 1 20 TRP HA 1 21 LEU HB2 . . 5.100 5.187 5.187 5.187 0.087 1 0 "[ ]" 1
428 1 20 TRP HA 1 21 LEU HG . . 6.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
429 1 20 TRP HA 1 27 VAL MG1 . . 6.400 3.945 3.945 3.945 . 0 0 "[ ]" 1
430 1 20 TRP HA 1 28 TYR H . . 5.300 4.231 4.231 4.231 . 0 0 "[ ]" 1
431 1 20 TRP HA 1 29 ASP HA . . 3.100 2.849 2.849 2.849 . 0 0 "[ ]" 1
432 1 20 TRP HA 1 29 ASP HB2 . . 5.700 4.669 4.669 4.669 . 0 0 "[ ]" 1
433 1 20 TRP HA 1 30 LEU H . . 3.400 3.118 3.118 3.118 . 0 0 "[ ]" 1
434 1 20 TRP HB2 1 20 TRP HE3 . . 3.800 2.808 2.808 2.808 . 0 0 "[ ]" 1
435 1 20 TRP HB2 1 21 LEU H . . 4.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
436 1 20 TRP HB2 1 27 VAL MG1 . . 6.500 3.534 3.534 3.534 . 0 0 "[ ]" 1
437 1 20 TRP HB3 1 20 TRP HE3 . . 3.700 2.979 2.979 2.979 . 0 0 "[ ]" 1
438 1 20 TRP HB3 1 21 LEU H . . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
439 1 20 TRP HB3 1 27 VAL MG1 . . 5.600 2.335 2.335 2.335 . 0 0 "[ ]" 1
440 1 20 TRP HD1 1 21 LEU H . . 5.200 5.026 5.026 5.026 . 0 0 "[ ]" 1
441 1 20 TRP HD1 1 29 ASP HA . . 3.200 2.272 2.272 2.272 . 0 0 "[ ]" 1
442 1 20 TRP HD1 1 29 ASP HB2 . . 4.200 3.092 3.092 3.092 . 0 0 "[ ]" 1
443 1 20 TRP HD1 1 29 ASP HB3 . . 4.700 4.604 4.604 4.604 . 0 0 "[ ]" 1
444 1 20 TRP HD1 1 30 LEU H . . 4.300 2.977 2.977 2.977 . 0 0 "[ ]" 1
445 1 20 TRP HD1 1 74 ILE MD . . 6.100 4.094 4.094 4.094 . 0 0 "[ ]" 1
446 1 20 TRP HE1 1 74 ILE MD . . 5.100 3.501 3.501 3.501 . 0 0 "[ ]" 1
447 1 20 TRP HE3 1 27 VAL MG1 . . 5.000 2.853 2.853 2.853 . 0 0 "[ ]" 1
448 1 20 TRP HE3 1 27 VAL MG2 . . 6.700 4.508 4.508 4.508 . 0 0 "[ ]" 1
449 1 20 TRP HE3 1 74 ILE MD . . 5.800 3.272 3.272 3.272 . 0 0 "[ ]" 1
450 1 20 TRP HH2 1 27 VAL MG1 . . 7.000 5.249 5.249 5.249 . 0 0 "[ ]" 1
451 1 20 TRP HH2 1 74 ILE MD . . 5.400 3.400 3.400 3.400 . 0 0 "[ ]" 1
452 1 20 TRP HZ2 1 74 ILE MD . . 4.800 3.204 3.204 3.204 . 0 0 "[ ]" 1
453 1 20 TRP HZ3 1 27 VAL MG1 . . 5.800 3.905 3.905 3.905 . 0 0 "[ ]" 1
454 1 20 TRP HZ3 1 74 ILE MD . . 6.300 3.476 3.476 3.476 . 0 0 "[ ]" 1
455 1 21 LEU H 1 21 LEU HB2 . . 3.900 3.368 3.368 3.368 . 0 0 "[ ]" 1
456 1 21 LEU H 1 21 LEU HB3 . . 4.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
457 1 21 LEU H 1 21 LEU MD1 . . 4.300 2.002 2.002 2.002 . 0 0 "[ ]" 1
458 1 21 LEU H 1 21 LEU MD2 . . 5.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
459 1 21 LEU H 1 21 LEU HG . . 3.900 3.066 3.066 3.066 . 0 0 "[ ]" 1
460 1 21 LEU H 1 22 ILE H . . 4.800 4.329 4.329 4.329 . 0 0 "[ ]" 1
461 1 21 LEU H 1 22 ILE QG . . 6.300 5.637 5.637 5.637 . 0 0 "[ ]" 1
462 1 21 LEU H 1 27 VAL HA . . 4.900 3.915 3.915 3.915 . 0 0 "[ ]" 1
463 1 21 LEU H 1 27 VAL MG1 . . 5.600 3.491 3.491 3.491 . 0 0 "[ ]" 1
464 1 21 LEU H 1 28 TYR H . . 3.100 2.867 2.867 2.867 . 0 0 "[ ]" 1
465 1 21 LEU H 1 29 ASP HA . . 4.500 4.518 4.518 4.518 0.018 1 0 "[ ]" 1
466 1 21 LEU H 1 30 LEU MD2 . . 7.000 5.522 5.522 5.522 . 0 0 "[ ]" 1
467 1 21 LEU H 1 30 LEU HG . . 5.400 4.507 4.507 4.507 . 0 0 "[ ]" 1
468 1 21 LEU HA 1 21 LEU HG . . 3.900 3.313 3.313 3.313 . 0 0 "[ ]" 1
469 1 21 LEU HA 1 22 ILE H . . 3.300 2.386 2.386 2.386 . 0 0 "[ ]" 1
470 1 21 LEU HA 1 49 GLY H . . 3.800 2.667 2.667 2.667 . 0 0 "[ ]" 1
471 1 21 LEU HA 1 50 GLY H . . 3.900 3.604 3.604 3.604 . 0 0 "[ ]" 1
472 1 21 LEU HB2 1 22 ILE H . . 3.300 2.825 2.825 2.825 . 0 0 "[ ]" 1
473 1 21 LEU HB2 1 48 ALA HA . . 4.800 3.854 3.854 3.854 . 0 0 "[ ]" 1
474 1 21 LEU HB2 1 49 GLY H . . 4.900 4.883 4.883 4.883 . 0 0 "[ ]" 1
475 1 21 LEU HB2 1 50 GLY H . . 5.400 5.014 5.014 5.014 . 0 0 "[ ]" 1
476 1 21 LEU HB3 1 22 ILE H . . 3.900 2.911 2.911 2.911 . 0 0 "[ ]" 1
477 1 21 LEU HB3 1 48 ALA HA . . 4.300 2.290 2.290 2.290 . 0 0 "[ ]" 1
478 1 21 LEU HB3 1 49 GLY H . . 4.800 3.477 3.477 3.477 . 0 0 "[ ]" 1
479 1 21 LEU HB3 1 50 GLY H . . 5.100 3.369 3.369 3.369 . 0 0 "[ ]" 1
480 1 21 LEU MD1 1 22 ILE H . . 5.600 4.362 4.362 4.362 . 0 0 "[ ]" 1
481 1 21 LEU MD1 1 22 ILE HA . . 6.600 4.843 4.843 4.843 . 0 0 "[ ]" 1
482 1 21 LEU MD1 1 23 LEU MD1 . . 6.200 3.677 3.677 3.677 . 0 0 "[ ]" 1
483 1 21 LEU MD1 1 23 LEU MD2 . . 6.300 2.043 2.043 2.043 . 0 0 "[ ]" 1
484 1 21 LEU MD1 1 23 LEU HG . . 5.000 4.222 4.222 4.222 . 0 0 "[ ]" 1
485 1 21 LEU MD1 1 28 TYR H . . 6.300 3.258 3.258 3.258 . 0 0 "[ ]" 1
486 1 21 LEU MD1 1 28 TYR HB2 . . 6.100 2.525 2.525 2.525 . 0 0 "[ ]" 1
487 1 21 LEU MD1 1 28 TYR HB3 . . 5.400 3.664 3.664 3.664 . 0 0 "[ ]" 1
488 1 21 LEU MD1 1 28 TYR QD . . 7.800 3.852 3.852 3.852 . 0 0 "[ ]" 1
489 1 21 LEU MD1 1 28 TYR QE . . 9.000 5.539 5.539 5.539 . 0 0 "[ ]" 1
490 1 21 LEU MD1 1 44 LEU HA . . 7.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
491 1 21 LEU MD1 1 48 ALA H . . 7.000 5.299 5.299 5.299 . 0 0 "[ ]" 1
492 1 21 LEU MD1 1 48 ALA HA . . 6.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
493 1 21 LEU MD1 1 48 ALA MB . . 8.000 3.797 3.797 3.797 . 0 0 "[ ]" 1
494 1 21 LEU MD1 1 49 GLY H . . 7.000 4.896 4.896 4.896 . 0 0 "[ ]" 1
495 1 21 LEU MD1 1 50 GLY H . . 7.000 5.882 5.882 5.882 . 0 0 "[ ]" 1
496 1 21 LEU MD1 1 52 ALA H . . 6.500 5.325 5.325 5.325 . 0 0 "[ ]" 1
497 1 21 LEU MD1 1 52 ALA MB . . 5.600 3.633 3.633 3.633 . 0 0 "[ ]" 1
498 1 21 LEU MD2 1 22 ILE H . . 6.200 4.521 4.521 4.521 . 0 0 "[ ]" 1
499 1 21 LEU MD2 1 23 LEU MD1 . . 7.200 3.661 3.661 3.661 . 0 0 "[ ]" 1
500 1 21 LEU MD2 1 23 LEU MD2 . . 8.000 3.068 3.068 3.068 . 0 0 "[ ]" 1
501 1 21 LEU MD2 1 44 LEU HA . . 5.600 2.953 2.953 2.953 . 0 0 "[ ]" 1
502 1 21 LEU MD2 1 47 GLN H . . 6.900 3.662 3.662 3.662 . 0 0 "[ ]" 1
503 1 21 LEU MD2 1 47 GLN HB2 . . 5.400 2.506 2.506 2.506 . 0 0 "[ ]" 1
504 1 21 LEU MD2 1 47 GLN HG3 . . 6.300 4.313 4.313 4.313 . 0 0 "[ ]" 1
505 1 21 LEU MD2 1 48 ALA H . . 6.900 2.752 2.752 2.752 . 0 0 "[ ]" 1
506 1 21 LEU MD2 1 48 ALA HA . . 5.400 2.301 2.301 2.301 . 0 0 "[ ]" 1
507 1 21 LEU MD2 1 48 ALA MB . . 7.000 2.593 2.593 2.593 . 0 0 "[ ]" 1
508 1 21 LEU MD2 1 49 GLY H . . 6.200 4.225 4.225 4.225 . 0 0 "[ ]" 1
509 1 21 LEU MD2 1 50 GLY H . . 6.400 4.310 4.310 4.310 . 0 0 "[ ]" 1
510 1 21 LEU MD2 1 52 ALA H . . 7.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
511 1 21 LEU MD2 1 52 ALA MB . . 5.700 2.487 2.487 2.487 . 0 0 "[ ]" 1
512 1 22 ILE H 1 22 ILE HB . . 3.400 2.584 2.584 2.584 . 0 0 "[ ]" 1
513 1 22 ILE H 1 22 ILE MD . . 5.300 2.133 2.133 2.133 . 0 0 "[ ]" 1
514 1 22 ILE H 1 22 ILE QG . . 4.700 3.354 3.354 3.354 . 0 0 "[ ]" 1
515 1 22 ILE H 1 23 LEU H . . 4.900 4.487 4.487 4.487 . 0 0 "[ ]" 1
516 1 22 ILE H 1 23 LEU MD1 . . 6.600 4.723 4.723 4.723 . 0 0 "[ ]" 1
517 1 22 ILE H 1 51 ASP HB3 . . 5.400 5.348 5.348 5.348 . 0 0 "[ ]" 1
518 1 22 ILE H 1 52 ALA H . . 3.900 3.838 3.838 3.838 . 0 0 "[ ]" 1
519 1 22 ILE H 1 52 ALA MB . . 5.800 4.392 4.392 4.392 . 0 0 "[ ]" 1
520 1 22 ILE HA 1 23 LEU H . . 3.200 2.234 2.234 2.234 . 0 0 "[ ]" 1
521 1 22 ILE HA 1 27 VAL HA . . 3.800 3.024 3.024 3.024 . 0 0 "[ ]" 1
522 1 22 ILE HA 1 27 VAL MG1 . . 6.600 4.480 4.480 4.480 . 0 0 "[ ]" 1
523 1 22 ILE HA 1 27 VAL MG2 . . 6.200 3.552 3.552 3.552 . 0 0 "[ ]" 1
524 1 22 ILE HA 1 28 TYR H . . 4.800 4.003 4.003 4.003 . 0 0 "[ ]" 1
525 1 22 ILE HA 1 28 TYR QD . . 6.300 3.727 3.727 3.727 . 0 0 "[ ]" 1
526 1 22 ILE HA 1 28 TYR QE . . 6.900 4.632 4.632 4.632 . 0 0 "[ ]" 1
527 1 22 ILE HB 1 51 ASP H . . 4.800 4.049 4.049 4.049 . 0 0 "[ ]" 1
528 1 22 ILE HB 1 51 ASP HB3 . . 4.600 3.791 3.791 3.791 . 0 0 "[ ]" 1
529 1 22 ILE QG 1 27 VAL MG1 . . 6.300 4.456 4.456 4.456 . 0 0 "[ ]" 1
530 1 22 ILE QG 1 27 VAL MG2 . . 5.600 2.957 2.957 2.957 . 0 0 "[ ]" 1
531 1 22 ILE QG 1 51 ASP HA . . 5.900 4.085 4.085 4.085 . 0 0 "[ ]" 1
532 1 22 ILE QG 1 51 ASP HB2 . . 5.500 3.700 3.700 3.700 . 0 0 "[ ]" 1
533 1 22 ILE QG 1 51 ASP HB3 . . 5.600 5.062 5.062 5.062 . 0 0 "[ ]" 1
534 1 22 ILE QG 1 77 LEU H . . 5.800 5.185 5.185 5.185 . 0 0 "[ ]" 1
535 1 22 ILE QG 1 77 LEU MD1 . . 5.200 2.184 2.184 2.184 . 0 0 "[ ]" 1
536 1 22 ILE QG 1 77 LEU MD2 . . 5.500 2.973 2.973 2.973 . 0 0 "[ ]" 1
537 1 22 ILE MG 1 23 LEU H . . 4.400 2.704 2.704 2.704 . 0 0 "[ ]" 1
538 1 22 ILE MG 1 23 LEU HA . . 6.000 3.297 3.297 3.297 . 0 0 "[ ]" 1
539 1 22 ILE MG 1 24 HIS H . . 6.300 3.567 3.567 3.567 . 0 0 "[ ]" 1
540 1 22 ILE MG 1 24 HIS HA . . 7.000 4.351 4.351 4.351 . 0 0 "[ ]" 1
541 1 22 ILE MG 1 25 TYR H . . 4.100 2.136 2.136 2.136 . 0 0 "[ ]" 1
542 1 22 ILE MG 1 25 TYR HA . . 4.500 2.051 2.051 2.051 . 0 0 "[ ]" 1
543 1 22 ILE MG 1 25 TYR HB2 . . 7.000 4.428 4.428 4.428 . 0 0 "[ ]" 1
544 1 22 ILE MG 1 25 TYR QD . . 7.900 2.702 2.702 2.702 . 0 0 "[ ]" 1
545 1 22 ILE MG 1 26 LYS H . . 5.100 2.721 2.721 2.721 . 0 0 "[ ]" 1
546 1 22 ILE MG 1 28 TYR QD . . 9.000 4.803 4.803 4.803 . 0 0 "[ ]" 1
547 1 22 ILE MG 1 28 TYR QE . . 9.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
548 1 22 ILE MG 1 51 ASP HB2 . . 7.000 2.935 2.935 2.935 . 0 0 "[ ]" 1
549 1 22 ILE MG 1 51 ASP HB3 . . 7.000 4.401 4.401 4.401 . 0 0 "[ ]" 1
550 1 22 ILE MG 1 77 LEU H . . 5.800 4.398 4.398 4.398 . 0 0 "[ ]" 1
551 1 22 ILE MG 1 77 LEU MD1 . . 6.000 3.050 3.050 3.050 . 0 0 "[ ]" 1
552 1 22 ILE MG 1 77 LEU MD2 . . 5.800 2.457 2.457 2.457 . 0 0 "[ ]" 1
553 1 23 LEU H 1 23 LEU HB2 . . 3.700 2.853 2.853 2.853 . 0 0 "[ ]" 1
554 1 23 LEU H 1 23 LEU HB3 . . 4.400 3.873 3.873 3.873 . 0 0 "[ ]" 1
555 1 23 LEU H 1 23 LEU HG . . 4.800 4.680 4.680 4.680 . 0 0 "[ ]" 1
556 1 23 LEU H 1 24 HIS H . . 4.300 4.210 4.210 4.210 . 0 0 "[ ]" 1
557 1 23 LEU H 1 25 TYR H . . 4.600 3.876 3.876 3.876 . 0 0 "[ ]" 1
558 1 23 LEU H 1 26 LYS H . . 3.900 2.650 2.650 2.650 . 0 0 "[ ]" 1
559 1 23 LEU H 1 27 VAL HA . . 4.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
560 1 23 LEU H 1 28 TYR QD . . 6.300 2.736 2.736 2.736 . 0 0 "[ ]" 1
561 1 23 LEU H 1 28 TYR QE . . 5.700 2.774 2.774 2.774 . 0 0 "[ ]" 1
562 1 23 LEU HA 1 23 LEU MD1 . . 4.400 2.226 2.226 2.226 . 0 0 "[ ]" 1
563 1 23 LEU HA 1 23 LEU HG . . 3.800 3.817 3.817 3.817 0.017 1 0 "[ ]" 1
564 1 23 LEU HA 1 24 HIS H . . 3.100 2.223 2.223 2.223 . 0 0 "[ ]" 1
565 1 23 LEU HA 1 25 TYR H . . 4.600 3.916 3.916 3.916 . 0 0 "[ ]" 1
566 1 23 LEU HA 1 26 LYS H . . 4.700 4.494 4.494 4.494 . 0 0 "[ ]" 1
567 1 23 LEU HA 1 52 ALA H . . 4.300 3.298 3.298 3.298 . 0 0 "[ ]" 1
568 1 23 LEU HA 1 53 THR HA . . 3.800 3.215 3.215 3.215 . 0 0 "[ ]" 1
569 1 23 LEU HA 1 53 THR MG . . 5.700 3.924 3.924 3.924 . 0 0 "[ ]" 1
570 1 23 LEU HB2 1 24 HIS H . . 6.000 4.225 4.225 4.225 . 0 0 "[ ]" 1
571 1 23 LEU HB2 1 28 TYR QD . . 6.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
572 1 23 LEU HB2 1 28 TYR QE . . 5.700 2.393 2.393 2.393 . 0 0 "[ ]" 1
573 1 23 LEU HB2 1 53 THR HA . . 5.100 5.113 5.113 5.113 0.013 1 0 "[ ]" 1
574 1 23 LEU HB3 1 24 HIS H . . 4.200 3.289 3.289 3.289 . 0 0 "[ ]" 1
575 1 23 LEU HB3 1 24 HIS HD2 . . 4.400 2.431 2.431 2.431 . 0 0 "[ ]" 1
576 1 23 LEU HB3 1 28 TYR QD . . 7.900 4.593 4.593 4.593 . 0 0 "[ ]" 1
577 1 23 LEU HB3 1 28 TYR QE . . 6.100 3.818 3.818 3.818 . 0 0 "[ ]" 1
578 1 23 LEU HB3 1 53 THR HA . . 4.800 3.542 3.542 3.542 . 0 0 "[ ]" 1
579 1 23 LEU MD1 1 24 HIS H . . 5.500 3.779 3.779 3.779 . 0 0 "[ ]" 1
580 1 23 LEU MD1 1 24 HIS HD2 . . 6.800 4.288 4.288 4.288 . 0 0 "[ ]" 1
581 1 23 LEU MD1 1 28 TYR QD . . 9.000 4.689 4.689 4.689 . 0 0 "[ ]" 1
582 1 23 LEU MD1 1 28 TYR QE . . 8.900 4.937 4.937 4.937 . 0 0 "[ ]" 1
583 1 23 LEU MD1 1 52 ALA H . . 4.900 2.449 2.449 2.449 . 0 0 "[ ]" 1
584 1 23 LEU MD1 1 52 ALA MB . . 5.200 2.057 2.057 2.057 . 0 0 "[ ]" 1
585 1 23 LEU MD1 1 53 THR H . . 4.900 2.864 2.864 2.864 . 0 0 "[ ]" 1
586 1 23 LEU MD1 1 53 THR HA . . 4.200 2.162 2.162 2.162 . 0 0 "[ ]" 1
587 1 23 LEU MD1 1 53 THR MG . . 6.800 3.735 3.735 3.735 . 0 0 "[ ]" 1
588 1 23 LEU MD1 1 56 PHE H . . 5.700 3.375 3.375 3.375 . 0 0 "[ ]" 1
589 1 23 LEU MD1 1 57 GLU H . . 7.000 4.514 4.514 4.514 . 0 0 "[ ]" 1
590 1 23 LEU MD2 1 24 HIS H . . 7.000 5.068 5.068 5.068 . 0 0 "[ ]" 1
591 1 23 LEU MD2 1 28 TYR QD . . 7.900 2.355 2.355 2.355 . 0 0 "[ ]" 1
592 1 23 LEU MD2 1 28 TYR QE . . 7.300 3.587 3.587 3.587 . 0 0 "[ ]" 1
593 1 23 LEU MD2 1 53 THR HA . . 7.000 4.855 4.855 4.855 . 0 0 "[ ]" 1
594 1 23 LEU MD2 1 56 PHE H . . 7.000 5.756 5.756 5.756 . 0 0 "[ ]" 1
595 1 23 LEU HG 1 24 HIS H . . 6.000 5.417 5.417 5.417 . 0 0 "[ ]" 1
596 1 23 LEU HG 1 28 TYR QD . . 6.900 4.232 4.232 4.232 . 0 0 "[ ]" 1
597 1 23 LEU HG 1 28 TYR QE . . 6.400 4.471 4.471 4.471 . 0 0 "[ ]" 1
598 1 23 LEU HG 1 52 ALA H . . 6.000 5.462 5.462 5.462 . 0 0 "[ ]" 1
599 1 24 HIS H 1 24 HIS HD2 . . 4.600 3.801 3.801 3.801 . 0 0 "[ ]" 1
600 1 24 HIS H 1 24 HIS HE1 . . 6.000 5.275 5.275 5.275 . 0 0 "[ ]" 1
601 1 24 HIS H 1 25 TYR H . . 3.700 2.930 2.930 2.930 . 0 0 "[ ]" 1
602 1 24 HIS H 1 26 LYS H . . 4.500 4.375 4.375 4.375 . 0 0 "[ ]" 1
603 1 24 HIS H 1 28 TYR QE . . 8.000 5.172 5.172 5.172 . 0 0 "[ ]" 1
604 1 24 HIS H 1 53 THR H . . 4.500 3.988 3.988 3.988 . 0 0 "[ ]" 1
605 1 24 HIS H 1 53 THR HA . . 4.200 3.532 3.532 3.532 . 0 0 "[ ]" 1
606 1 24 HIS H 1 53 THR MG . . 4.500 2.789 2.789 2.789 . 0 0 "[ ]" 1
607 1 24 HIS HA 1 24 HIS HD2 . . 4.900 4.491 4.491 4.491 . 0 0 "[ ]" 1
608 1 24 HIS HA 1 25 TYR H . . 3.200 2.834 2.834 2.834 . 0 0 "[ ]" 1
609 1 24 HIS HA 1 53 THR MG . . 5.300 3.156 3.156 3.156 . 0 0 "[ ]" 1
610 1 24 HIS QB 1 25 TYR H . . 5.200 3.868 3.868 3.868 . 0 0 "[ ]" 1
611 1 24 HIS HD2 1 53 THR MG . . 5.500 4.153 4.153 4.153 . 0 0 "[ ]" 1
612 1 25 TYR H 1 25 TYR HA . . 2.900 2.227 2.227 2.227 . 0 0 "[ ]" 1
613 1 25 TYR H 1 25 TYR HB2 . . 3.700 3.741 3.741 3.741 0.041 1 0 "[ ]" 1
614 1 25 TYR H 1 25 TYR HB3 . . 4.200 4.028 4.028 4.028 . 0 0 "[ ]" 1
615 1 25 TYR H 1 25 TYR QE . . 5.800 4.883 4.883 4.883 . 0 0 "[ ]" 1
616 1 25 TYR HA 1 25 TYR QE . . 5.700 4.616 4.616 4.616 . 0 0 "[ ]" 1
617 1 25 TYR HA 1 26 LYS H . . 4.100 3.036 3.036 3.036 . 0 0 "[ ]" 1
618 1 25 TYR HA 1 77 LEU H . . 4.800 4.080 4.080 4.080 . 0 0 "[ ]" 1
619 1 25 TYR HB2 1 77 LEU H . . 4.600 4.412 4.412 4.412 . 0 0 "[ ]" 1
620 1 25 TYR HB2 1 77 LEU MD1 . . 7.000 5.886 5.886 5.886 . 0 0 "[ ]" 1
621 1 25 TYR HB2 1 77 LEU MD2 . . 7.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
622 1 25 TYR HB3 1 77 LEU H . . 5.300 3.687 3.687 3.687 . 0 0 "[ ]" 1
623 1 25 TYR HB3 1 77 LEU MD1 . . 7.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
624 1 25 TYR HB3 1 77 LEU MD2 . . 7.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
625 1 25 TYR QD 1 26 LYS QB . . 8.600 6.477 6.477 6.477 . 0 0 "[ ]" 1
626 1 25 TYR QD 1 77 LEU H . . 8.000 5.480 5.480 5.480 . 0 0 "[ ]" 1
627 1 25 TYR QD 1 77 LEU MD2 . . 6.600 2.199 2.199 2.199 . 0 0 "[ ]" 1
628 1 25 TYR QD 1 82 ARG HA . . 7.100 4.249 4.249 4.249 . 0 0 "[ ]" 1
629 1 25 TYR QD 1 82 ARG HB2 . . 6.400 5.015 5.015 5.015 . 0 0 "[ ]" 1
630 1 25 TYR QD 1 82 ARG HB3 . . 7.000 5.638 5.638 5.638 . 0 0 "[ ]" 1
631 1 25 TYR QD 1 82 ARG HE . . 8.000 4.819 4.819 4.819 . 0 0 "[ ]" 1
632 1 25 TYR QE 1 77 LEU MD2 . . 8.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
633 1 25 TYR QE 1 82 ARG HA . . 6.300 4.018 4.018 4.018 . 0 0 "[ ]" 1
634 1 25 TYR QE 1 82 ARG HB2 . . 6.300 5.554 5.554 5.554 . 0 0 "[ ]" 1
635 1 25 TYR QE 1 82 ARG HB3 . . 6.500 5.731 5.731 5.731 . 0 0 "[ ]" 1
636 1 25 TYR QE 1 82 ARG HE . . 8.000 5.908 5.908 5.908 . 0 0 "[ ]" 1
637 1 26 LYS H 1 26 LYS HD2 . . 4.100 3.631 3.631 3.631 . 0 0 "[ ]" 1
638 1 26 LYS H 1 26 LYS HD3 . . 3.800 2.535 2.535 2.535 . 0 0 "[ ]" 1
639 1 26 LYS H 1 26 LYS HG2 . . 4.700 4.627 4.627 4.627 . 0 0 "[ ]" 1
640 1 26 LYS H 1 26 LYS HG3 . . 3.800 3.981 3.981 3.981 0.181 1 0 "[ ]" 1
641 1 26 LYS H 1 28 TYR QE . . 8.000 3.012 3.012 3.012 . 0 0 "[ ]" 1
642 1 26 LYS H 1 76 GLU HA . . 4.900 4.885 4.885 4.885 . 0 0 "[ ]" 1
643 1 26 LYS HA 1 27 VAL H . . 3.200 2.295 2.295 2.295 . 0 0 "[ ]" 1
644 1 26 LYS QB 1 27 VAL H . . 5.800 2.356 2.356 2.356 . 0 0 "[ ]" 1
645 1 26 LYS QB 1 28 TYR QE . . 7.000 2.126 2.126 2.126 . 0 0 "[ ]" 1
646 1 26 LYS QB 1 73 ILE MD . . 8.000 2.890 2.890 2.890 . 0 0 "[ ]" 1
647 1 26 LYS QB 1 73 ILE MG . . 8.000 2.754 2.754 2.754 . 0 0 "[ ]" 1
648 1 26 LYS HD2 1 27 VAL H . . 5.500 5.625 5.625 5.625 0.125 1 0 "[ ]" 1
649 1 26 LYS HD2 1 28 TYR QE . . 7.000 5.262 5.262 5.262 . 0 0 "[ ]" 1
650 1 26 LYS HD2 1 76 GLU HA . . 5.200 4.258 4.258 4.258 . 0 0 "[ ]" 1
651 1 26 LYS HD3 1 28 TYR QD . . 6.200 5.758 5.758 5.758 . 0 0 "[ ]" 1
652 1 26 LYS HD3 1 28 TYR QE . . 6.200 3.684 3.684 3.684 . 0 0 "[ ]" 1
653 1 26 LYS HD3 1 76 GLU HA . . 5.300 4.835 4.835 4.835 . 0 0 "[ ]" 1
654 1 26 LYS HG3 1 28 TYR QE . . 7.800 4.993 4.993 4.993 . 0 0 "[ ]" 1
655 1 26 LYS HG3 1 76 GLU HA . . 5.100 2.357 2.357 2.357 . 0 0 "[ ]" 1
656 1 27 VAL H 1 27 VAL HB . . 3.400 2.445 2.445 2.445 . 0 0 "[ ]" 1
657 1 27 VAL H 1 27 VAL MG2 . . 4.500 2.505 2.505 2.505 . 0 0 "[ ]" 1
658 1 27 VAL H 1 28 TYR H . . 4.500 4.299 4.299 4.299 . 0 0 "[ ]" 1
659 1 27 VAL H 1 28 TYR QE . . 8.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
660 1 27 VAL H 1 73 ILE MG . . 5.500 3.593 3.593 3.593 . 0 0 "[ ]" 1
661 1 27 VAL H 1 75 GLY H . . 3.800 3.263 3.263 3.263 . 0 0 "[ ]" 1
662 1 27 VAL H 1 76 GLU HA . . 3.400 2.858 2.858 2.858 . 0 0 "[ ]" 1
663 1 27 VAL H 1 76 GLU HB2 . . 6.000 5.713 5.713 5.713 . 0 0 "[ ]" 1
664 1 27 VAL H 1 76 GLU QG . . 7.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
665 1 27 VAL HA 1 28 TYR H . . 3.000 2.115 2.115 2.115 . 0 0 "[ ]" 1
666 1 27 VAL HA 1 28 TYR QD . . 6.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
667 1 27 VAL HA 1 28 TYR QE . . 6.300 4.638 4.638 4.638 . 0 0 "[ ]" 1
668 1 27 VAL HB 1 74 ILE H . . 5.000 3.779 3.779 3.779 . 0 0 "[ ]" 1
669 1 27 VAL HB 1 74 ILE MD . . 7.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
670 1 27 VAL HB 1 74 ILE HG12 . . 4.300 4.054 4.054 4.054 . 0 0 "[ ]" 1
671 1 27 VAL HB 1 75 GLY H . . 4.300 2.840 2.840 2.840 . 0 0 "[ ]" 1
672 1 27 VAL MG1 1 28 TYR H . . 4.700 2.975 2.975 2.975 . 0 0 "[ ]" 1
673 1 27 VAL MG1 1 28 TYR HA . . 6.300 3.992 3.992 3.992 . 0 0 "[ ]" 1
674 1 27 VAL MG1 1 74 ILE H . . 6.500 3.718 3.718 3.718 . 0 0 "[ ]" 1
675 1 27 VAL MG1 1 74 ILE MD . . 6.400 2.184 2.184 2.184 . 0 0 "[ ]" 1
676 1 27 VAL MG1 1 74 ILE HG12 . . 4.600 2.768 2.768 2.768 . 0 0 "[ ]" 1
677 1 27 VAL MG1 1 74 ILE MG . . 6.700 4.320 4.320 4.320 . 0 0 "[ ]" 1
678 1 27 VAL MG1 1 75 GLY H . . 6.800 3.937 3.937 3.937 . 0 0 "[ ]" 1
679 1 27 VAL MG1 1 76 GLU HA . . 7.000 5.593 5.593 5.593 . 0 0 "[ ]" 1
680 1 27 VAL MG2 1 28 TYR H . . 4.900 4.093 4.093 4.093 . 0 0 "[ ]" 1
681 1 27 VAL MG2 1 74 ILE H . . 7.000 5.206 5.206 5.206 . 0 0 "[ ]" 1
682 1 27 VAL MG2 1 74 ILE HG12 . . 7.000 5.245 5.245 5.245 . 0 0 "[ ]" 1
683 1 27 VAL MG2 1 75 GLY H . . 7.000 4.292 4.292 4.292 . 0 0 "[ ]" 1
684 1 27 VAL MG2 1 76 GLU H . . 6.800 4.211 4.211 4.211 . 0 0 "[ ]" 1
685 1 27 VAL MG2 1 76 GLU HA . . 4.900 3.323 3.323 3.323 . 0 0 "[ ]" 1
686 1 27 VAL MG2 1 76 GLU HB2 . . 7.000 5.180 5.180 5.180 . 0 0 "[ ]" 1
687 1 27 VAL MG2 1 77 LEU H . . 5.300 3.402 3.402 3.402 . 0 0 "[ ]" 1
688 1 27 VAL MG2 1 78 HIS H . . 7.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
689 1 28 TYR H 1 28 TYR HB2 . . 3.600 2.474 2.474 2.474 . 0 0 "[ ]" 1
690 1 28 TYR H 1 28 TYR HB3 . . 4.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
691 1 28 TYR H 1 28 TYR QE . . 5.800 4.516 4.516 4.516 . 0 0 "[ ]" 1
692 1 28 TYR H 1 29 ASP H . . 4.900 4.322 4.322 4.322 . 0 0 "[ ]" 1
693 1 28 TYR H 1 30 LEU MD2 . . 6.800 5.126 5.126 5.126 . 0 0 "[ ]" 1
694 1 28 TYR H 1 74 ILE H . . 6.000 4.913 4.913 4.913 . 0 0 "[ ]" 1
695 1 28 TYR HA 1 28 TYR QE . . 5.200 4.653 4.653 4.653 . 0 0 "[ ]" 1
696 1 28 TYR HA 1 29 ASP H . . 2.900 2.254 2.254 2.254 . 0 0 "[ ]" 1
697 1 28 TYR HA 1 73 ILE HA . . 3.100 2.572 2.572 2.572 . 0 0 "[ ]" 1
698 1 28 TYR HA 1 74 ILE H . . 3.400 3.137 3.137 3.137 . 0 0 "[ ]" 1
699 1 28 TYR HA 1 74 ILE HG13 . . 5.000 4.554 4.554 4.554 . 0 0 "[ ]" 1
700 1 28 TYR HA 1 74 ILE MG . . 6.600 4.323 4.323 4.323 . 0 0 "[ ]" 1
701 1 28 TYR HB2 1 29 ASP H . . 5.000 4.444 4.444 4.444 . 0 0 "[ ]" 1
702 1 28 TYR HB2 1 30 LEU MD1 . . 5.200 3.342 3.342 3.342 . 0 0 "[ ]" 1
703 1 28 TYR HB2 1 30 LEU MD2 . . 5.100 3.268 3.268 3.268 . 0 0 "[ ]" 1
704 1 28 TYR HB2 1 73 ILE HA . . 5.700 5.266 5.266 5.266 . 0 0 "[ ]" 1
705 1 28 TYR HB3 1 29 ASP H . . 4.100 3.678 3.678 3.678 . 0 0 "[ ]" 1
706 1 28 TYR HB3 1 30 LEU MD1 . . 5.300 3.468 3.468 3.468 . 0 0 "[ ]" 1
707 1 28 TYR HB3 1 30 LEU MD2 . . 4.600 2.186 2.186 2.186 . 0 0 "[ ]" 1
708 1 28 TYR HB3 1 73 ILE HA . . 5.200 4.571 4.571 4.571 . 0 0 "[ ]" 1
709 1 28 TYR QD 1 29 ASP H . . 7.600 4.704 4.704 4.704 . 0 0 "[ ]" 1
710 1 28 TYR QD 1 30 LEU MD2 . . 7.400 3.355 3.355 3.355 . 0 0 "[ ]" 1
711 1 28 TYR QD 1 30 LEU HG . . 6.600 5.011 5.011 5.011 . 0 0 "[ ]" 1
712 1 28 TYR QD 1 69 SER HA . . 7.600 3.020 3.020 3.020 . 0 0 "[ ]" 1
713 1 28 TYR QD 1 72 PHE QB . . 7.200 2.543 2.543 2.543 . 0 0 "[ ]" 1
714 1 28 TYR QD 1 72 PHE QD . . 9.300 3.738 3.738 3.738 . 0 0 "[ ]" 1
715 1 28 TYR QE 1 30 LEU MD2 . . 9.000 5.246 5.246 5.246 . 0 0 "[ ]" 1
716 1 28 TYR QE 1 69 SER HA . . 6.200 3.904 3.904 3.904 . 0 0 "[ ]" 1
717 1 28 TYR QE 1 69 SER QB . . 7.500 2.166 2.166 2.166 . 0 0 "[ ]" 1
718 1 28 TYR QE 1 73 ILE MD . . 7.600 2.542 2.542 2.542 . 0 0 "[ ]" 1
719 1 28 TYR QE 1 73 ILE MG . . 8.800 4.445 4.445 4.445 . 0 0 "[ ]" 1
720 1 29 ASP H 1 29 ASP HB2 . . 3.700 3.181 3.181 3.181 . 0 0 "[ ]" 1
721 1 29 ASP H 1 29 ASP HB3 . . 3.400 2.334 2.334 2.334 . 0 0 "[ ]" 1
722 1 29 ASP H 1 30 LEU H . . 4.700 4.364 4.364 4.364 . 0 0 "[ ]" 1
723 1 29 ASP H 1 30 LEU MD1 . . 7.000 5.744 5.744 5.744 . 0 0 "[ ]" 1
724 1 29 ASP H 1 72 PHE QB . . 5.400 2.663 2.663 2.663 . 0 0 "[ ]" 1
725 1 29 ASP H 1 73 ILE HA . . 4.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
726 1 29 ASP H 1 74 ILE H . . 4.300 3.351 3.351 3.351 . 0 0 "[ ]" 1
727 1 29 ASP H 1 74 ILE MD . . 6.200 3.674 3.674 3.674 . 0 0 "[ ]" 1
728 1 29 ASP H 1 74 ILE HG12 . . 5.300 2.455 2.455 2.455 . 0 0 "[ ]" 1
729 1 29 ASP H 1 74 ILE HG13 . . 3.900 4.117 4.117 4.117 0.217 1 0 "[ ]" 1
730 1 29 ASP H 1 74 ILE MG . . 4.800 2.940 2.940 2.940 . 0 0 "[ ]" 1
731 1 29 ASP HA 1 30 LEU H . . 3.100 2.148 2.148 2.148 . 0 0 "[ ]" 1
732 1 29 ASP HA 1 30 LEU MD2 . . 7.000 4.245 4.245 4.245 . 0 0 "[ ]" 1
733 1 29 ASP HA 1 31 THR H . . 3.700 3.256 3.256 3.256 . 0 0 "[ ]" 1
734 1 29 ASP HB2 1 30 LEU H . . 5.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
735 1 29 ASP HB2 1 31 THR H . . 3.800 4.016 4.016 4.016 0.216 1 0 "[ ]" 1
736 1 29 ASP HB2 1 74 ILE MD . . 6.000 2.261 2.261 2.261 . 0 0 "[ ]" 1
737 1 29 ASP HB3 1 74 ILE MD . . 5.100 2.962 2.962 2.962 . 0 0 "[ ]" 1
738 1 29 ASP HB3 1 74 ILE HG13 . . 4.900 4.607 4.607 4.607 . 0 0 "[ ]" 1
739 1 29 ASP HB3 1 74 ILE MG . . 4.800 2.204 2.204 2.204 . 0 0 "[ ]" 1
740 1 30 LEU H 1 30 LEU HB2 . . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 1
741 1 30 LEU H 1 30 LEU HB3 . . 3.800 3.744 3.744 3.744 . 0 0 "[ ]" 1
742 1 30 LEU H 1 30 LEU MD1 . . 5.600 3.870 3.870 3.870 . 0 0 "[ ]" 1
743 1 30 LEU H 1 30 LEU MD2 . . 5.500 3.410 3.410 3.410 . 0 0 "[ ]" 1
744 1 30 LEU H 1 30 LEU HG . . 3.800 2.513 2.513 2.513 . 0 0 "[ ]" 1
745 1 30 LEU H 1 31 THR H . . 3.400 2.477 2.477 2.477 . 0 0 "[ ]" 1
746 1 30 LEU HA 1 30 LEU MD2 . . 3.900 2.147 2.147 2.147 . 0 0 "[ ]" 1
747 1 30 LEU HA 1 31 THR H . . 4.100 3.167 3.167 3.167 . 0 0 "[ ]" 1
748 1 30 LEU HA 1 32 LYS H . . 4.600 3.971 3.971 3.971 . 0 0 "[ ]" 1
749 1 30 LEU HA 1 33 PHE H . . 3.900 3.409 3.409 3.409 . 0 0 "[ ]" 1
750 1 30 LEU HA 1 33 PHE HB2 . . 3.900 2.720 2.720 2.720 . 0 0 "[ ]" 1
751 1 30 LEU HA 1 33 PHE QD . . 7.300 3.668 3.668 3.668 . 0 0 "[ ]" 1
752 1 30 LEU HA 1 72 PHE QD . . 7.500 3.987 3.987 3.987 . 0 0 "[ ]" 1
753 1 30 LEU HA 1 72 PHE QE . . 7.900 4.433 4.433 4.433 . 0 0 "[ ]" 1
754 1 30 LEU HB2 1 31 THR H . . 4.400 4.029 4.029 4.029 . 0 0 "[ ]" 1
755 1 30 LEU HB2 1 33 PHE HB2 . . 5.000 5.051 5.051 5.051 0.051 1 0 "[ ]" 1
756 1 30 LEU HB2 1 33 PHE HB3 . . 4.100 3.720 3.720 3.720 . 0 0 "[ ]" 1
757 1 30 LEU HB2 1 33 PHE QD . . 7.500 4.028 4.028 4.028 . 0 0 "[ ]" 1
758 1 30 LEU HB3 1 31 THR H . . 5.000 4.650 4.650 4.650 . 0 0 "[ ]" 1
759 1 30 LEU HB3 1 31 THR HA . . 6.000 5.196 5.196 5.196 . 0 0 "[ ]" 1
760 1 30 LEU HB3 1 33 PHE HB2 . . 4.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
761 1 30 LEU HB3 1 33 PHE HB3 . . 3.500 2.237 2.237 2.237 . 0 0 "[ ]" 1
762 1 30 LEU HB3 1 33 PHE QD . . 6.200 2.341 2.341 2.341 . 0 0 "[ ]" 1
763 1 30 LEU MD1 1 31 THR H . . 7.000 5.518 5.518 5.518 . 0 0 "[ ]" 1
764 1 30 LEU MD1 1 33 PHE HB3 . . 5.400 4.081 4.081 4.081 . 0 0 "[ ]" 1
765 1 30 LEU MD1 1 33 PHE QD . . 7.700 2.796 2.796 2.796 . 0 0 "[ ]" 1
766 1 30 LEU MD2 1 31 THR H . . 6.100 4.512 4.512 4.512 . 0 0 "[ ]" 1
767 1 30 LEU MD2 1 33 PHE HA . . 6.900 5.456 5.456 5.456 . 0 0 "[ ]" 1
768 1 30 LEU MD2 1 33 PHE HB2 . . 5.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
769 1 30 LEU MD2 1 33 PHE HB3 . . 4.900 3.242 3.242 3.242 . 0 0 "[ ]" 1
770 1 30 LEU MD2 1 33 PHE QD . . 7.200 2.435 2.435 2.435 . 0 0 "[ ]" 1
771 1 30 LEU MD2 1 69 SER HA . . 7.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
772 1 30 LEU MD2 1 72 PHE H . . 6.700 4.662 4.662 4.662 . 0 0 "[ ]" 1
773 1 30 LEU MD2 1 72 PHE QB . . 6.800 2.235 2.235 2.235 . 0 0 "[ ]" 1
774 1 30 LEU MD2 1 72 PHE QD . . 7.100 2.377 2.377 2.377 . 0 0 "[ ]" 1
775 1 30 LEU MD2 1 72 PHE QE . . 8.400 3.269 3.269 3.269 . 0 0 "[ ]" 1
776 1 30 LEU MD2 1 72 PHE HZ . . 7.000 4.426 4.426 4.426 . 0 0 "[ ]" 1
777 1 30 LEU HG 1 31 THR H . . 5.100 4.732 4.732 4.732 . 0 0 "[ ]" 1
778 1 30 LEU HG 1 33 PHE QD . . 8.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
779 1 31 THR H 1 31 THR HB . . 3.600 2.648 2.648 2.648 . 0 0 "[ ]" 1
780 1 31 THR H 1 32 LYS H . . 3.800 2.839 2.839 2.839 . 0 0 "[ ]" 1
781 1 31 THR H 1 33 PHE H . . 4.500 4.025 4.025 4.025 . 0 0 "[ ]" 1
782 1 31 THR H 1 33 PHE HB2 . . 5.300 5.178 5.178 5.178 . 0 0 "[ ]" 1
783 1 31 THR H 1 34 LEU H . . 5.300 5.302 5.302 5.302 0.002 1 0 "[ ]" 1
784 1 31 THR HA 1 32 LYS H . . 4.200 3.600 3.600 3.600 . 0 0 "[ ]" 1
785 1 31 THR HA 1 33 PHE H . . 4.400 3.719 3.719 3.719 . 0 0 "[ ]" 1
786 1 31 THR HA 1 34 LEU H . . 4.500 3.956 3.956 3.956 . 0 0 "[ ]" 1
787 1 31 THR HA 1 34 LEU MD1 . . 4.600 3.152 3.152 3.152 . 0 0 "[ ]" 1
788 1 31 THR HA 1 34 LEU MD2 . . 5.400 3.503 3.503 3.503 . 0 0 "[ ]" 1
789 1 31 THR HA 1 34 LEU HG . . 3.900 2.734 2.734 2.734 . 0 0 "[ ]" 1
790 1 31 THR HB 1 32 LYS H . . 3.500 2.524 2.524 2.524 . 0 0 "[ ]" 1
791 1 31 THR MG 1 32 LYS H . . 5.400 3.603 3.603 3.603 . 0 0 "[ ]" 1
792 1 31 THR MG 1 32 LYS HA . . 6.400 3.822 3.822 3.822 . 0 0 "[ ]" 1
793 1 31 THR MG 1 32 LYS HB2 . . 5.400 4.138 4.138 4.138 . 0 0 "[ ]" 1
794 1 31 THR MG 1 33 PHE H . . 7.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
795 1 32 LYS H 1 32 LYS HB2 . . 3.900 2.369 2.369 2.369 . 0 0 "[ ]" 1
796 1 32 LYS H 1 32 LYS HB3 . . 3.400 2.827 2.827 2.827 . 0 0 "[ ]" 1
797 1 32 LYS H 1 32 LYS QD . . 4.900 4.380 4.380 4.380 . 0 0 "[ ]" 1
798 1 32 LYS H 1 32 LYS QG . . 5.000 3.934 3.934 3.934 . 0 0 "[ ]" 1
799 1 32 LYS H 1 33 PHE H . . 3.300 2.787 2.787 2.787 . 0 0 "[ ]" 1
800 1 32 LYS H 1 33 PHE HB2 . . 5.100 4.339 4.339 4.339 . 0 0 "[ ]" 1
801 1 32 LYS H 1 34 LEU H . . 4.500 4.487 4.487 4.487 . 0 0 "[ ]" 1
802 1 32 LYS HA 1 32 LYS QD . . 4.600 3.911 3.911 3.911 . 0 0 "[ ]" 1
803 1 32 LYS HA 1 33 PHE H . . 3.900 3.130 3.130 3.130 . 0 0 "[ ]" 1
804 1 32 LYS HA 1 34 LEU H . . 4.800 3.902 3.902 3.902 . 0 0 "[ ]" 1
805 1 32 LYS HB2 1 33 PHE H . . 4.600 4.421 4.421 4.421 . 0 0 "[ ]" 1
806 1 32 LYS HB3 1 33 PHE H . . 4.100 4.036 4.036 4.036 . 0 0 "[ ]" 1
807 1 32 LYS HB3 1 72 PHE QE . . 7.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
808 1 32 LYS QD 1 33 PHE H . . 6.500 5.793 5.793 5.793 . 0 0 "[ ]" 1
809 1 32 LYS QD 1 72 PHE QE . . 9.000 5.510 5.510 5.510 . 0 0 "[ ]" 1
810 1 32 LYS QG 1 33 PHE H . . 6.300 4.565 4.565 4.565 . 0 0 "[ ]" 1
811 1 33 PHE H 1 33 PHE HB2 . . 3.400 2.859 2.859 2.859 . 0 0 "[ ]" 1
812 1 33 PHE H 1 33 PHE HB3 . . 3.400 2.571 2.571 2.571 . 0 0 "[ ]" 1
813 1 33 PHE H 1 34 LEU H . . 3.200 1.980 1.980 1.980 . 0 0 "[ ]" 1
814 1 33 PHE H 1 34 LEU HA . . 5.100 4.478 4.478 4.478 . 0 0 "[ ]" 1
815 1 33 PHE H 1 34 LEU HB2 . . 5.200 4.345 4.345 4.345 . 0 0 "[ ]" 1
816 1 33 PHE H 1 34 LEU MD1 . . 7.000 4.734 4.734 4.734 . 0 0 "[ ]" 1
817 1 33 PHE H 1 34 LEU MD2 . . 7.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
818 1 33 PHE H 1 34 LEU HG . . 4.600 3.343 3.343 3.343 . 0 0 "[ ]" 1
819 1 33 PHE H 1 35 GLU H . . 4.700 4.708 4.708 4.708 0.008 1 0 "[ ]" 1
820 1 33 PHE H 1 72 PHE QD . . 8.000 5.962 5.962 5.962 . 0 0 "[ ]" 1
821 1 33 PHE H 1 72 PHE QE . . 8.000 5.352 5.352 5.352 . 0 0 "[ ]" 1
822 1 33 PHE HA 1 33 PHE QD . . 4.300 2.289 2.289 2.289 . 0 0 "[ ]" 1
823 1 33 PHE HA 1 34 LEU H . . 4.100 3.471 3.471 3.471 . 0 0 "[ ]" 1
824 1 33 PHE HA 1 35 GLU H . . 4.600 4.403 4.403 4.403 . 0 0 "[ ]" 1
825 1 33 PHE HA 1 36 GLU H . . 3.700 3.249 3.249 3.249 . 0 0 "[ ]" 1
826 1 33 PHE HA 1 36 GLU HB2 . . 3.800 2.564 2.564 2.564 . 0 0 "[ ]" 1
827 1 33 PHE HA 1 36 GLU HB3 . . 4.100 4.117 4.117 4.117 0.017 1 0 "[ ]" 1
828 1 33 PHE HA 1 36 GLU HG2 . . 5.100 3.582 3.582 3.582 . 0 0 "[ ]" 1
829 1 33 PHE HA 1 36 GLU HG3 . . 4.200 2.854 2.854 2.854 . 0 0 "[ ]" 1
830 1 33 PHE HA 1 37 HIS H . . 4.400 4.070 4.070 4.070 . 0 0 "[ ]" 1
831 1 33 PHE HA 1 72 PHE QE . . 7.500 4.695 4.695 4.695 . 0 0 "[ ]" 1
832 1 33 PHE HA 1 72 PHE HZ . . 4.200 4.207 4.207 4.207 0.007 1 0 "[ ]" 1
833 1 33 PHE HB2 1 34 LEU H . . 4.200 4.202 4.202 4.202 0.002 1 0 "[ ]" 1
834 1 33 PHE HB2 1 72 PHE QD . . 7.200 4.166 4.166 4.166 . 0 0 "[ ]" 1
835 1 33 PHE HB2 1 72 PHE QE . . 6.300 3.292 3.292 3.292 . 0 0 "[ ]" 1
836 1 33 PHE HB2 1 72 PHE HZ . . 3.900 3.084 3.084 3.084 . 0 0 "[ ]" 1
837 1 33 PHE HB3 1 34 LEU H . . 4.200 3.246 3.246 3.246 . 0 0 "[ ]" 1
838 1 33 PHE HB3 1 72 PHE QE . . 6.900 4.424 4.424 4.424 . 0 0 "[ ]" 1
839 1 33 PHE HB3 1 72 PHE HZ . . 4.500 4.527 4.527 4.527 0.027 1 0 "[ ]" 1
840 1 33 PHE QD 1 34 LEU H . . 8.000 4.698 4.698 4.698 . 0 0 "[ ]" 1
841 1 33 PHE QD 1 34 LEU HG . . 7.000 5.995 5.995 5.995 . 0 0 "[ ]" 1
842 1 33 PHE QD 1 35 GLU H . . 8.000 5.968 5.968 5.968 . 0 0 "[ ]" 1
843 1 33 PHE QD 1 36 GLU H . . 7.200 4.333 4.333 4.333 . 0 0 "[ ]" 1
844 1 33 PHE QD 1 36 GLU HA . . 8.000 5.222 5.222 5.222 . 0 0 "[ ]" 1
845 1 33 PHE QD 1 36 GLU HB2 . . 6.200 2.413 2.413 2.413 . 0 0 "[ ]" 1
846 1 33 PHE QD 1 36 GLU HB3 . . 6.700 3.165 3.165 3.165 . 0 0 "[ ]" 1
847 1 33 PHE QD 1 36 GLU HG2 . . 6.500 4.210 4.210 4.210 . 0 0 "[ ]" 1
848 1 33 PHE QD 1 36 GLU HG3 . . 6.100 2.819 2.819 2.819 . 0 0 "[ ]" 1
849 1 33 PHE QD 1 72 PHE QE . . 9.400 3.397 3.397 3.397 . 0 0 "[ ]" 1
850 1 33 PHE QD 1 72 PHE HZ . . 5.900 2.575 2.575 2.575 . 0 0 "[ ]" 1
851 1 34 LEU H 1 34 LEU HB2 . . 3.300 2.574 2.574 2.574 . 0 0 "[ ]" 1
852 1 34 LEU H 1 34 LEU HB3 . . 3.800 3.588 3.588 3.588 . 0 0 "[ ]" 1
853 1 34 LEU H 1 34 LEU MD1 . . 5.100 3.644 3.644 3.644 . 0 0 "[ ]" 1
854 1 34 LEU H 1 34 LEU MD2 . . 5.100 2.998 2.998 2.998 . 0 0 "[ ]" 1
855 1 34 LEU H 1 34 LEU HG . . 3.000 2.115 2.115 2.115 . 0 0 "[ ]" 1
856 1 34 LEU H 1 35 GLU H . . 3.700 3.206 3.206 3.206 . 0 0 "[ ]" 1
857 1 34 LEU H 1 35 GLU QG . . 7.000 4.669 4.669 4.669 . 0 0 "[ ]" 1
858 1 34 LEU HA 1 34 LEU MD2 . . 4.000 2.120 2.120 2.120 . 0 0 "[ ]" 1
859 1 34 LEU HA 1 34 LEU HG . . 3.500 3.170 3.170 3.170 . 0 0 "[ ]" 1
860 1 34 LEU HA 1 35 GLU H . . 4.200 3.616 3.616 3.616 . 0 0 "[ ]" 1
861 1 34 LEU HA 1 37 HIS H . . 4.000 3.829 3.829 3.829 . 0 0 "[ ]" 1
862 1 34 LEU HA 1 41 GLU HA . . 4.700 3.061 3.061 3.061 . 0 0 "[ ]" 1
863 1 34 LEU HB2 1 34 LEU HG . . 3.000 2.455 2.455 2.455 . 0 0 "[ ]" 1
864 1 34 LEU HB2 1 35 GLU H . . 3.600 2.327 2.327 2.327 . 0 0 "[ ]" 1
865 1 34 LEU HB2 1 41 GLU HB3 . . 4.500 3.959 3.959 3.959 . 0 0 "[ ]" 1
866 1 34 LEU HB3 1 35 GLU H . . 3.800 3.289 3.289 3.289 . 0 0 "[ ]" 1
867 1 34 LEU HB3 1 35 GLU HA . . 6.000 4.248 4.248 4.248 . 0 0 "[ ]" 1
868 1 34 LEU HB3 1 41 GLU HA . . 5.100 3.615 3.615 3.615 . 0 0 "[ ]" 1
869 1 34 LEU HB3 1 41 GLU HB2 . . 4.700 2.551 2.551 2.551 . 0 0 "[ ]" 1
870 1 34 LEU HB3 1 41 GLU HB3 . . 3.900 2.299 2.299 2.299 . 0 0 "[ ]" 1
871 1 34 LEU MD1 1 35 GLU H . . 5.900 4.317 4.317 4.317 . 0 0 "[ ]" 1
872 1 34 LEU MD1 1 41 GLU HA . . 7.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
873 1 34 LEU MD1 1 41 GLU HB3 . . 5.900 3.716 3.716 3.716 . 0 0 "[ ]" 1
874 1 34 LEU MD1 1 45 ARG QB . . 8.000 3.729 3.729 3.729 . 0 0 "[ ]" 1
875 1 34 LEU MD1 1 45 ARG QD . . 8.000 4.909 4.909 4.909 . 0 0 "[ ]" 1
876 1 34 LEU MD2 1 35 GLU H . . 6.700 4.629 4.629 4.629 . 0 0 "[ ]" 1
877 1 34 LEU MD2 1 36 GLU H . . 6.800 5.669 5.669 5.669 . 0 0 "[ ]" 1
878 1 34 LEU MD2 1 41 GLU H . . 7.000 4.793 4.793 4.793 . 0 0 "[ ]" 1
879 1 34 LEU MD2 1 41 GLU HA . . 5.500 2.567 2.567 2.567 . 0 0 "[ ]" 1
880 1 34 LEU MD2 1 41 GLU HB2 . . 6.100 2.228 2.228 2.228 . 0 0 "[ ]" 1
881 1 34 LEU MD2 1 41 GLU HB3 . . 5.300 3.091 3.091 3.091 . 0 0 "[ ]" 1
882 1 34 LEU MD2 1 44 LEU H . . 7.000 4.570 4.570 4.570 . 0 0 "[ ]" 1
883 1 34 LEU MD2 1 44 LEU QB . . 6.700 3.181 3.181 3.181 . 0 0 "[ ]" 1
884 1 34 LEU MD2 1 44 LEU HG . . 5.800 4.848 4.848 4.848 . 0 0 "[ ]" 1
885 1 34 LEU MD2 1 45 ARG H . . 5.100 3.674 3.674 3.674 . 0 0 "[ ]" 1
886 1 34 LEU MD2 1 45 ARG HA . . 7.000 4.155 4.155 4.155 . 0 0 "[ ]" 1
887 1 34 LEU MD2 1 45 ARG QB . . 8.000 2.869 2.869 2.869 . 0 0 "[ ]" 1
888 1 35 GLU H 1 35 GLU HB2 . . 3.400 2.396 2.396 2.396 . 0 0 "[ ]" 1
889 1 35 GLU H 1 35 GLU HB3 . . 3.200 3.476 3.476 3.476 0.276 1 0 "[ ]" 1
890 1 35 GLU H 1 35 GLU QG . . 4.700 2.063 2.063 2.063 . 0 0 "[ ]" 1
891 1 35 GLU H 1 36 GLU H . . 3.300 2.690 2.690 2.690 . 0 0 "[ ]" 1
892 1 35 GLU HA 1 36 GLU H . . 4.200 3.543 3.543 3.543 . 0 0 "[ ]" 1
893 1 35 GLU HB2 1 36 GLU H . . 4.000 2.814 2.814 2.814 . 0 0 "[ ]" 1
894 1 35 GLU HB3 1 36 GLU H . . 4.200 3.812 3.812 3.812 . 0 0 "[ ]" 1
895 1 35 GLU QG 1 36 GLU H . . 6.400 4.153 4.153 4.153 . 0 0 "[ ]" 1
896 1 36 GLU H 1 36 GLU HB2 . . 3.300 2.326 2.326 2.326 . 0 0 "[ ]" 1
897 1 36 GLU H 1 36 GLU HB3 . . 3.900 3.553 3.553 3.553 . 0 0 "[ ]" 1
898 1 36 GLU H 1 36 GLU HG2 . . 4.300 2.487 2.487 2.487 . 0 0 "[ ]" 1
899 1 36 GLU H 1 36 GLU HG3 . . 4.000 3.436 3.436 3.436 . 0 0 "[ ]" 1
900 1 36 GLU H 1 37 HIS H . . 4.200 2.457 2.457 2.457 . 0 0 "[ ]" 1
901 1 36 GLU H 1 37 HIS HA . . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
902 1 36 GLU HA 1 36 GLU HG2 . . 4.200 2.819 2.819 2.819 . 0 0 "[ ]" 1
903 1 36 GLU HA 1 36 GLU HG3 . . 4.100 3.821 3.821 3.821 . 0 0 "[ ]" 1
904 1 36 GLU HB2 1 37 HIS H . . 4.900 2.571 2.571 2.571 . 0 0 "[ ]" 1
905 1 36 GLU HB3 1 37 HIS H . . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
906 1 37 HIS HA 1 38 PRO HB2 . . 5.600 5.644 5.644 5.644 0.044 1 0 "[ ]" 1
907 1 37 HIS HA 1 38 PRO HB3 . . 5.300 5.000 5.000 5.000 . 0 0 "[ ]" 1
908 1 37 HIS HD1 1 43 VAL MG1 . . 5.500 5.234 5.234 5.234 . 0 0 "[ ]" 1
909 1 37 HIS HD1 1 44 LEU MD2 . . 5.500 3.248 3.248 3.248 . 0 0 "[ ]" 1
910 1 38 PRO HA 1 38 PRO HG2 . . 3.700 3.827 3.827 3.827 0.127 1 0 "[ ]" 1
911 1 40 GLY H 1 41 GLU H . . 4.900 4.323 4.323 4.323 . 0 0 "[ ]" 1
912 1 40 GLY HA2 1 41 GLU H . . 3.300 2.357 2.357 2.357 . 0 0 "[ ]" 1
913 1 40 GLY HA2 1 41 GLU HA . . 4.800 4.299 4.299 4.299 . 0 0 "[ ]" 1
914 1 40 GLY HA2 1 41 GLU HB2 . . 5.900 5.683 5.683 5.683 . 0 0 "[ ]" 1
915 1 40 GLY HA2 1 41 GLU HB3 . . 4.700 4.407 4.407 4.407 . 0 0 "[ ]" 1
916 1 40 GLY HA2 1 42 GLU H . . 4.500 4.544 4.544 4.544 0.044 1 0 "[ ]" 1
917 1 40 GLY HA3 1 41 GLU H . . 3.400 2.758 2.758 2.758 . 0 0 "[ ]" 1
918 1 40 GLY HA3 1 41 GLU HB3 . . 5.300 5.290 5.290 5.290 . 0 0 "[ ]" 1
919 1 40 GLY HA3 1 42 GLU H . . 4.300 3.932 3.932 3.932 . 0 0 "[ ]" 1
920 1 41 GLU H 1 41 GLU HB2 . . 3.600 3.565 3.565 3.565 . 0 0 "[ ]" 1
921 1 41 GLU H 1 41 GLU HB3 . . 3.400 2.639 2.639 2.639 . 0 0 "[ ]" 1
922 1 41 GLU H 1 42 GLU H . . 3.500 2.573 2.573 2.573 . 0 0 "[ ]" 1
923 1 41 GLU H 1 42 GLU HA . . 5.400 5.173 5.173 5.173 . 0 0 "[ ]" 1
924 1 41 GLU H 1 42 GLU HB2 . . 5.200 4.543 4.543 4.543 . 0 0 "[ ]" 1
925 1 41 GLU H 1 42 GLU QG . . 7.000 4.603 4.603 4.603 . 0 0 "[ ]" 1
926 1 41 GLU H 1 43 VAL H . . 5.900 4.253 4.253 4.253 . 0 0 "[ ]" 1
927 1 41 GLU HA 1 42 GLU H . . 4.300 3.572 3.572 3.572 . 0 0 "[ ]" 1
928 1 41 GLU HA 1 43 VAL H . . 6.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
929 1 41 GLU HA 1 44 LEU H . . 4.100 3.803 3.803 3.803 . 0 0 "[ ]" 1
930 1 41 GLU HA 1 44 LEU QB . . 5.600 4.223 4.223 4.223 . 0 0 "[ ]" 1
931 1 41 GLU HA 1 44 LEU HG . . 5.100 4.621 4.621 4.621 . 0 0 "[ ]" 1
932 1 41 GLU HA 1 45 ARG H . . 5.000 4.116 4.116 4.116 . 0 0 "[ ]" 1
933 1 41 GLU HB2 1 42 GLU H . . 4.100 3.644 3.644 3.644 . 0 0 "[ ]" 1
934 1 41 GLU HB3 1 42 GLU H . . 3.900 3.954 3.954 3.954 0.054 1 0 "[ ]" 1
935 1 41 GLU HB3 1 45 ARG QB . . 6.200 5.120 5.120 5.120 . 0 0 "[ ]" 1
936 1 42 GLU H 1 42 GLU HB2 . . 3.100 2.290 2.290 2.290 . 0 0 "[ ]" 1
937 1 42 GLU H 1 42 GLU HB3 . . 3.500 3.548 3.548 3.548 0.048 1 0 "[ ]" 1
938 1 42 GLU H 1 42 GLU QG . . 4.700 2.616 2.616 2.616 . 0 0 "[ ]" 1
939 1 42 GLU H 1 43 VAL H . . 3.600 2.855 2.855 2.855 . 0 0 "[ ]" 1
940 1 42 GLU H 1 43 VAL HA . . 6.000 5.389 5.389 5.389 . 0 0 "[ ]" 1
941 1 42 GLU H 1 44 LEU H . . 5.300 4.560 4.560 4.560 . 0 0 "[ ]" 1
942 1 42 GLU H 1 45 ARG H . . 5.900 4.815 4.815 4.815 . 0 0 "[ ]" 1
943 1 42 GLU H 1 45 ARG QB . . 7.000 4.277 4.277 4.277 . 0 0 "[ ]" 1
944 1 42 GLU HA 1 43 VAL H . . 4.300 3.556 3.556 3.556 . 0 0 "[ ]" 1
945 1 42 GLU HA 1 44 LEU H . . 4.600 4.356 4.356 4.356 . 0 0 "[ ]" 1
946 1 42 GLU HA 1 45 ARG H . . 3.700 3.450 3.450 3.450 . 0 0 "[ ]" 1
947 1 42 GLU HA 1 45 ARG QB . . 4.500 2.179 2.179 2.179 . 0 0 "[ ]" 1
948 1 42 GLU HA 1 45 ARG QD . . 7.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
949 1 42 GLU HA 1 46 ALA H . . 4.300 3.399 3.399 3.399 . 0 0 "[ ]" 1
950 1 42 GLU HB2 1 43 VAL H . . 3.900 3.044 3.044 3.044 . 0 0 "[ ]" 1
951 1 42 GLU HB3 1 43 VAL H . . 3.800 3.638 3.638 3.638 . 0 0 "[ ]" 1
952 1 42 GLU HB3 1 45 ARG H . . 5.600 5.551 5.551 5.551 . 0 0 "[ ]" 1
953 1 42 GLU HB3 1 45 ARG QB . . 7.000 4.510 4.510 4.510 . 0 0 "[ ]" 1
954 1 42 GLU QG 1 43 VAL H . . 5.300 4.483 4.483 4.483 . 0 0 "[ ]" 1
955 1 42 GLU QG 1 45 ARG H . . 7.000 5.518 5.518 5.518 . 0 0 "[ ]" 1
956 1 42 GLU QG 1 45 ARG QB . . 6.900 3.986 3.986 3.986 . 0 0 "[ ]" 1
957 1 43 VAL H 1 43 VAL HB . . 3.600 2.822 2.822 2.822 . 0 0 "[ ]" 1
958 1 43 VAL H 1 43 VAL MG1 . . 4.800 3.783 3.783 3.783 . 0 0 "[ ]" 1
959 1 43 VAL H 1 43 VAL MG2 . . 4.400 1.935 1.935 1.935 . 0 0 "[ ]" 1
960 1 43 VAL H 1 44 LEU H . . 3.600 2.787 2.787 2.787 . 0 0 "[ ]" 1
961 1 43 VAL H 1 45 ARG H . . 4.800 4.207 4.207 4.207 . 0 0 "[ ]" 1
962 1 43 VAL H 1 46 ALA H . . 6.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
963 1 43 VAL H 1 46 ALA MB . . 6.000 4.740 4.740 4.740 . 0 0 "[ ]" 1
964 1 43 VAL HA 1 43 VAL HB . . 3.100 3.040 3.040 3.040 . 0 0 "[ ]" 1
965 1 43 VAL HA 1 44 LEU H . . 4.300 3.598 3.598 3.598 . 0 0 "[ ]" 1
966 1 43 VAL HA 1 45 ARG H . . 5.000 4.829 4.829 4.829 . 0 0 "[ ]" 1
967 1 43 VAL HA 1 46 ALA H . . 4.100 3.883 3.883 3.883 . 0 0 "[ ]" 1
968 1 43 VAL HA 1 46 ALA MB . . 3.600 3.015 3.015 3.015 . 0 0 "[ ]" 1
969 1 43 VAL HA 1 47 GLN H . . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
970 1 43 VAL HB 1 44 LEU H . . 5.000 2.838 2.838 2.838 . 0 0 "[ ]" 1
971 1 43 VAL MG1 1 44 LEU H . . 5.800 3.918 3.918 3.918 . 0 0 "[ ]" 1
972 1 43 VAL MG2 1 44 LEU H . . 5.600 3.776 3.776 3.776 . 0 0 "[ ]" 1
973 1 44 LEU H 1 44 LEU HG . . 3.800 2.562 2.562 2.562 . 0 0 "[ ]" 1
974 1 44 LEU H 1 45 ARG H . . 3.200 2.450 2.450 2.450 . 0 0 "[ ]" 1
975 1 44 LEU H 1 45 ARG HA . . 6.000 5.086 5.086 5.086 . 0 0 "[ ]" 1
976 1 44 LEU H 1 45 ARG QB . . 5.900 4.066 4.066 4.066 . 0 0 "[ ]" 1
977 1 44 LEU H 1 46 ALA H . . 4.600 4.064 4.064 4.064 . 0 0 "[ ]" 1
978 1 44 LEU H 1 46 ALA MB . . 6.600 4.730 4.730 4.730 . 0 0 "[ ]" 1
979 1 44 LEU H 1 47 GLN H . . 6.000 5.092 5.092 5.092 . 0 0 "[ ]" 1
980 1 44 LEU HA 1 44 LEU HG . . 3.500 2.930 2.930 2.930 . 0 0 "[ ]" 1
981 1 44 LEU HA 1 45 ARG H . . 4.300 3.577 3.577 3.577 . 0 0 "[ ]" 1
982 1 44 LEU HA 1 47 GLN H . . 4.300 3.598 3.598 3.598 . 0 0 "[ ]" 1
983 1 44 LEU HA 1 47 GLN HB2 . . 4.800 3.464 3.464 3.464 . 0 0 "[ ]" 1
984 1 44 LEU QB 1 45 ARG H . . 4.700 2.471 2.471 2.471 . 0 0 "[ ]" 1
985 1 44 LEU QB 1 46 ALA H . . 6.400 4.729 4.729 4.729 . 0 0 "[ ]" 1
986 1 44 LEU HG 1 45 ARG H . . 4.300 4.289 4.289 4.289 . 0 0 "[ ]" 1
987 1 45 ARG H 1 45 ARG QD . . 6.100 4.154 4.154 4.154 . 0 0 "[ ]" 1
988 1 45 ARG H 1 45 ARG QG . . 5.000 3.980 3.980 3.980 . 0 0 "[ ]" 1
989 1 45 ARG H 1 46 ALA H . . 3.200 2.887 2.887 2.887 . 0 0 "[ ]" 1
990 1 45 ARG H 1 47 GLN H . . 5.300 4.304 4.304 4.304 . 0 0 "[ ]" 1
991 1 45 ARG H 1 48 ALA MB . . 7.000 4.124 4.124 4.124 . 0 0 "[ ]" 1
992 1 45 ARG HA 1 46 ALA H . . 4.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
993 1 45 ARG HA 1 47 GLN H . . 4.600 4.060 4.060 4.060 . 0 0 "[ ]" 1
994 1 45 ARG HA 1 48 ALA H . . 3.800 3.025 3.025 3.025 . 0 0 "[ ]" 1
995 1 45 ARG HA 1 48 ALA MB . . 3.700 2.095 2.095 2.095 . 0 0 "[ ]" 1
996 1 45 ARG QB 1 46 ALA H . . 4.600 2.790 2.790 2.790 . 0 0 "[ ]" 1
997 1 45 ARG QB 1 48 ALA H . . 7.000 4.725 4.725 4.725 . 0 0 "[ ]" 1
998 1 45 ARG QD 1 46 ALA H . . 5.200 3.408 3.408 3.408 . 0 0 "[ ]" 1
999 1 45 ARG QG 1 46 ALA H . . 6.000 4.152 4.152 4.152 . 0 0 "[ ]" 1
1000 1 46 ALA H 1 46 ALA MB . . 3.500 2.198 2.198 2.198 . 0 0 "[ ]" 1
1001 1 46 ALA H 1 47 GLN H . . 3.400 2.833 2.833 2.833 . 0 0 "[ ]" 1
1002 1 46 ALA H 1 47 GLN HG2 . . 4.700 4.462 4.462 4.462 . 0 0 "[ ]" 1
1003 1 46 ALA H 1 48 ALA H . . 4.600 3.952 3.952 3.952 . 0 0 "[ ]" 1
1004 1 46 ALA H 1 48 ALA MB . . 6.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
1005 1 46 ALA HA 1 47 GLN H . . 3.900 3.585 3.585 3.585 . 0 0 "[ ]" 1
1006 1 46 ALA HA 1 48 ALA H . . 5.300 4.386 4.386 4.386 . 0 0 "[ ]" 1
1007 1 46 ALA MB 1 47 GLN H . . 3.700 2.669 2.669 2.669 . 0 0 "[ ]" 1
1008 1 46 ALA MB 1 47 GLN HA . . 6.000 3.985 3.985 3.985 . 0 0 "[ ]" 1
1009 1 46 ALA MB 1 47 GLN QE . . 7.800 2.199 2.199 2.199 . 0 0 "[ ]" 1
1010 1 46 ALA MB 1 48 ALA H . . 5.200 4.340 4.340 4.340 . 0 0 "[ ]" 1
1011 1 47 GLN H 1 47 GLN HB2 . . 3.400 2.584 2.584 2.584 . 0 0 "[ ]" 1
1012 1 47 GLN H 1 47 GLN HB3 . . 3.800 3.677 3.677 3.677 . 0 0 "[ ]" 1
1013 1 47 GLN H 1 47 GLN HG2 . . 3.400 2.441 2.441 2.441 . 0 0 "[ ]" 1
1014 1 47 GLN H 1 47 GLN HG3 . . 3.900 3.831 3.831 3.831 . 0 0 "[ ]" 1
1015 1 47 GLN H 1 48 ALA H . . 3.000 2.179 2.179 2.179 . 0 0 "[ ]" 1
1016 1 47 GLN H 1 48 ALA HA . . 5.200 4.735 4.735 4.735 . 0 0 "[ ]" 1
1017 1 47 GLN H 1 48 ALA MB . . 4.800 3.876 3.876 3.876 . 0 0 "[ ]" 1
1018 1 47 GLN H 1 52 ALA MB . . 7.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
1019 1 47 GLN HA 1 47 GLN HG2 . . 3.700 3.325 3.325 3.325 . 0 0 "[ ]" 1
1020 1 47 GLN HA 1 47 GLN HG3 . . 3.800 3.811 3.811 3.811 0.011 1 0 "[ ]" 1
1021 1 47 GLN HA 1 48 ALA H . . 3.900 3.485 3.485 3.485 . 0 0 "[ ]" 1
1022 1 47 GLN HA 1 48 ALA MB . . 6.100 4.962 4.962 4.962 . 0 0 "[ ]" 1
1023 1 47 GLN HB2 1 47 GLN HG3 . . 2.900 2.423 2.423 2.423 . 0 0 "[ ]" 1
1024 1 47 GLN HB2 1 48 ALA H . . 4.500 3.102 3.102 3.102 . 0 0 "[ ]" 1
1025 1 47 GLN HB2 1 48 ALA MB . . 7.000 4.384 4.384 4.384 . 0 0 "[ ]" 1
1026 1 47 GLN HB2 1 52 ALA MB . . 5.400 2.509 2.509 2.509 . 0 0 "[ ]" 1
1027 1 47 GLN HB3 1 52 ALA MB . . 5.200 2.250 2.250 2.250 . 0 0 "[ ]" 1
1028 1 47 GLN HG2 1 48 ALA H . . 4.900 4.328 4.328 4.328 . 0 0 "[ ]" 1
1029 1 47 GLN HG2 1 52 ALA MB . . 6.400 3.947 3.947 3.947 . 0 0 "[ ]" 1
1030 1 47 GLN HG3 1 48 ALA H . . 5.500 5.239 5.239 5.239 . 0 0 "[ ]" 1
1031 1 47 GLN HG3 1 52 ALA MB . . 4.900 2.785 2.785 2.785 . 0 0 "[ ]" 1
1032 1 48 ALA H 1 48 ALA MB . . 3.500 2.207 2.207 2.207 . 0 0 "[ ]" 1
1033 1 48 ALA H 1 49 GLY H . . 4.800 4.669 4.669 4.669 . 0 0 "[ ]" 1
1034 1 48 ALA HA 1 49 GLY H . . 2.800 2.268 2.268 2.268 . 0 0 "[ ]" 1
1035 1 48 ALA HA 1 50 GLY H . . 3.700 2.954 2.954 2.954 . 0 0 "[ ]" 1
1036 1 48 ALA MB 1 49 GLY H . . 3.600 2.609 2.609 2.609 . 0 0 "[ ]" 1
1037 1 48 ALA MB 1 50 GLY H . . 5.500 4.134 4.134 4.134 . 0 0 "[ ]" 1
1038 1 49 GLY H 1 50 GLY H . . 3.400 2.901 2.901 2.901 . 0 0 "[ ]" 1
1039 1 49 GLY HA3 1 50 GLY H . . 4.200 3.172 3.172 3.172 . 0 0 "[ ]" 1
1040 1 50 GLY H 1 51 ASP H . . 5.100 4.352 4.352 4.352 . 0 0 "[ ]" 1
1041 1 50 GLY HA2 1 51 ASP H . . 3.300 2.601 2.601 2.601 . 0 0 "[ ]" 1
1042 1 50 GLY HA3 1 51 ASP H . . 3.200 2.506 2.506 2.506 . 0 0 "[ ]" 1
1043 1 51 ASP H 1 51 ASP HB2 . . 3.300 3.150 3.150 3.150 . 0 0 "[ ]" 1
1044 1 51 ASP H 1 51 ASP HB3 . . 3.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
1045 1 51 ASP HA 1 52 ALA H . . 3.700 2.138 2.138 2.138 . 0 0 "[ ]" 1
1046 1 51 ASP HB3 1 52 ALA H . . 4.200 4.161 4.161 4.161 . 0 0 "[ ]" 1
1047 1 52 ALA H 1 52 ALA MB . . 3.500 2.596 2.596 2.596 . 0 0 "[ ]" 1
1048 1 52 ALA H 1 53 THR H . . 3.700 2.125 2.125 2.125 . 0 0 "[ ]" 1
1049 1 52 ALA H 1 53 THR HA . . 5.700 4.226 4.226 4.226 . 0 0 "[ ]" 1
1050 1 52 ALA H 1 53 THR HB . . 5.000 4.673 4.673 4.673 . 0 0 "[ ]" 1
1051 1 52 ALA H 1 53 THR MG . . 7.000 5.317 5.317 5.317 . 0 0 "[ ]" 1
1052 1 52 ALA H 1 54 ALA H . . 5.800 4.942 4.942 4.942 . 0 0 "[ ]" 1
1053 1 52 ALA HA 1 53 THR H . . 3.900 3.172 3.172 3.172 . 0 0 "[ ]" 1
1054 1 52 ALA HA 1 54 ALA H . . 4.600 4.015 4.015 4.015 . 0 0 "[ ]" 1
1055 1 52 ALA HA 1 55 ASN H . . 4.100 3.307 3.307 3.307 . 0 0 "[ ]" 1
1056 1 52 ALA HA 1 55 ASN HB2 . . 3.500 3.495 3.495 3.495 . 0 0 "[ ]" 1
1057 1 52 ALA HA 1 55 ASN HD21 . . 6.000 2.022 2.022 2.022 . 0 0 "[ ]" 1
1058 1 52 ALA HA 1 55 ASN HD22 . . 6.000 3.364 3.364 3.364 . 0 0 "[ ]" 1
1059 1 52 ALA HA 1 56 PHE H . . 4.600 4.475 4.475 4.475 . 0 0 "[ ]" 1
1060 1 52 ALA MB 1 53 THR H . . 5.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
1061 1 52 ALA MB 1 53 THR HA . . 5.300 4.308 4.308 4.308 . 0 0 "[ ]" 1
1062 1 52 ALA MB 1 54 ALA H . . 7.000 4.951 4.951 4.951 . 0 0 "[ ]" 1
1063 1 52 ALA MB 1 55 ASN H . . 5.200 3.797 3.797 3.797 . 0 0 "[ ]" 1
1064 1 52 ALA MB 1 55 ASN HB2 . . 4.200 2.504 2.504 2.504 . 0 0 "[ ]" 1
1065 1 52 ALA MB 1 55 ASN HD21 . . 7.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
1066 1 52 ALA MB 1 56 PHE H . . 4.400 3.669 3.669 3.669 . 0 0 "[ ]" 1
1067 1 53 THR H 1 53 THR HB . . 3.100 2.607 2.607 2.607 . 0 0 "[ ]" 1
1068 1 53 THR H 1 54 ALA H . . 3.900 3.045 3.045 3.045 . 0 0 "[ ]" 1
1069 1 53 THR H 1 55 ASN H . . 5.400 4.453 4.453 4.453 . 0 0 "[ ]" 1
1070 1 53 THR H 1 55 ASN HD21 . . 5.400 4.893 4.893 4.893 . 0 0 "[ ]" 1
1071 1 53 THR HA 1 54 ALA H . . 4.500 3.604 3.604 3.604 . 0 0 "[ ]" 1
1072 1 53 THR HA 1 55 ASN H . . 5.800 4.561 4.561 4.561 . 0 0 "[ ]" 1
1073 1 53 THR HA 1 56 PHE H . . 3.900 3.489 3.489 3.489 . 0 0 "[ ]" 1
1074 1 53 THR HA 1 57 GLU H . . 5.200 3.954 3.954 3.954 . 0 0 "[ ]" 1
1075 1 53 THR HB 1 54 ALA H . . 3.200 2.402 2.402 2.402 . 0 0 "[ ]" 1
1076 1 53 THR HB 1 54 ALA MB . . 6.700 3.946 3.946 3.946 . 0 0 "[ ]" 1
1077 1 53 THR HB 1 55 ASN H . . 5.500 5.084 5.084 5.084 . 0 0 "[ ]" 1
1078 1 53 THR MG 1 54 ALA H . . 5.300 3.298 3.298 3.298 . 0 0 "[ ]" 1
1079 1 53 THR MG 1 54 ALA HA . . 5.400 3.468 3.468 3.468 . 0 0 "[ ]" 1
1080 1 53 THR MG 1 54 ALA MB . . 6.500 4.097 4.097 4.097 . 0 0 "[ ]" 1
1081 1 53 THR MG 1 55 ASN H . . 7.000 5.107 5.107 5.107 . 0 0 "[ ]" 1
1082 1 53 THR MG 1 57 GLU H . . 7.000 4.007 4.007 4.007 . 0 0 "[ ]" 1
1083 1 53 THR MG 1 57 GLU HB2 . . 7.000 3.778 3.778 3.778 . 0 0 "[ ]" 1
1084 1 53 THR MG 1 57 GLU HB3 . . 7.000 4.566 4.566 4.566 . 0 0 "[ ]" 1
1085 1 53 THR MG 1 57 GLU HG2 . . 4.700 2.906 2.906 2.906 . 0 0 "[ ]" 1
1086 1 54 ALA H 1 54 ALA MB . . 3.500 2.232 2.232 2.232 . 0 0 "[ ]" 1
1087 1 54 ALA H 1 55 ASN H . . 3.400 2.947 2.947 2.947 . 0 0 "[ ]" 1
1088 1 54 ALA H 1 56 PHE H . . 4.900 4.243 4.243 4.243 . 0 0 "[ ]" 1
1089 1 54 ALA HA 1 55 ASN H . . 4.100 3.594 3.594 3.594 . 0 0 "[ ]" 1
1090 1 54 ALA HA 1 56 PHE H . . 4.800 4.429 4.429 4.429 . 0 0 "[ ]" 1
1091 1 54 ALA HA 1 57 GLU H . . 3.700 3.730 3.730 3.730 0.030 1 0 "[ ]" 1
1092 1 54 ALA HA 1 57 GLU HB2 . . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
1093 1 54 ALA HA 1 57 GLU HB3 . . 4.600 4.603 4.603 4.603 0.003 1 0 "[ ]" 1
1094 1 54 ALA HA 1 58 ALA H . . 5.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
1095 1 54 ALA MB 1 55 ASN H . . 3.500 2.537 2.537 2.537 . 0 0 "[ ]" 1
1096 1 54 ALA MB 1 55 ASN HD21 . . 7.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
1097 1 54 ALA MB 1 57 GLU H . . 7.000 4.817 4.817 4.817 . 0 0 "[ ]" 1
1098 1 54 ALA MB 1 58 ALA H . . 6.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
1099 1 55 ASN H 1 55 ASN HB2 . . 3.100 2.510 2.510 2.510 . 0 0 "[ ]" 1
1100 1 55 ASN H 1 55 ASN HB3 . . 3.600 3.614 3.614 3.614 0.014 1 0 "[ ]" 1
1101 1 55 ASN H 1 55 ASN HD21 . . 4.700 2.660 2.660 2.660 . 0 0 "[ ]" 1
1102 1 55 ASN H 1 55 ASN HD22 . . 6.000 3.746 3.746 3.746 . 0 0 "[ ]" 1
1103 1 55 ASN H 1 56 PHE H . . 3.300 2.621 2.621 2.621 . 0 0 "[ ]" 1
1104 1 55 ASN H 1 57 GLU H . . 4.900 4.205 4.205 4.205 . 0 0 "[ ]" 1
1105 1 55 ASN H 1 58 ALA H . . 5.900 4.585 4.585 4.585 . 0 0 "[ ]" 1
1106 1 55 ASN H 1 58 ALA MB . . 6.100 4.464 4.464 4.464 . 0 0 "[ ]" 1
1107 1 55 ASN HA 1 55 ASN HD21 . . 4.400 4.220 4.220 4.220 . 0 0 "[ ]" 1
1108 1 55 ASN HA 1 55 ASN HD22 . . 5.200 4.631 4.631 4.631 . 0 0 "[ ]" 1
1109 1 55 ASN HA 1 56 PHE H . . 4.100 3.593 3.593 3.593 . 0 0 "[ ]" 1
1110 1 55 ASN HA 1 57 GLU H . . 6.000 4.544 4.544 4.544 . 0 0 "[ ]" 1
1111 1 55 ASN HA 1 58 ALA H . . 4.300 3.478 3.478 3.478 . 0 0 "[ ]" 1
1112 1 55 ASN HA 1 58 ALA MB . . 4.600 2.397 2.397 2.397 . 0 0 "[ ]" 1
1113 1 55 ASN HB2 1 55 ASN HD21 . . 3.400 2.229 2.229 2.229 . 0 0 "[ ]" 1
1114 1 55 ASN HB2 1 56 PHE H . . 3.800 2.615 2.615 2.615 . 0 0 "[ ]" 1
1115 1 55 ASN HB3 1 56 PHE H . . 4.200 3.678 3.678 3.678 . 0 0 "[ ]" 1
1116 1 56 PHE H 1 57 GLU H . . 3.400 2.525 2.525 2.525 . 0 0 "[ ]" 1
1117 1 56 PHE H 1 57 GLU HB2 . . 5.500 4.581 4.581 4.581 . 0 0 "[ ]" 1
1118 1 56 PHE H 1 57 GLU HG2 . . 4.100 4.113 4.113 4.113 0.013 1 0 "[ ]" 1
1119 1 56 PHE H 1 57 GLU HG3 . . 5.300 5.409 5.409 5.409 0.109 1 0 "[ ]" 1
1120 1 56 PHE H 1 58 ALA H . . 4.600 3.982 3.982 3.982 . 0 0 "[ ]" 1
1121 1 56 PHE QB 1 57 GLU H . . 4.800 2.508 2.508 2.508 . 0 0 "[ ]" 1
1122 1 56 PHE QB 1 58 ALA H . . 6.900 4.744 4.744 4.744 . 0 0 "[ ]" 1
1123 1 56 PHE HZ 1 66 ARG HB3 . . 4.400 4.434 4.434 4.434 0.034 1 0 "[ ]" 1
1124 1 57 GLU H 1 57 GLU HB2 . . 3.400 2.350 2.350 2.350 . 0 0 "[ ]" 1
1125 1 57 GLU H 1 57 GLU HB3 . . 3.800 3.524 3.524 3.524 . 0 0 "[ ]" 1
1126 1 57 GLU H 1 57 GLU HG2 . . 3.400 2.165 2.165 2.165 . 0 0 "[ ]" 1
1127 1 57 GLU H 1 57 GLU HG3 . . 3.800 3.380 3.380 3.380 . 0 0 "[ ]" 1
1128 1 57 GLU H 1 58 ALA H . . 3.400 2.617 2.617 2.617 . 0 0 "[ ]" 1
1129 1 57 GLU H 1 58 ALA MB . . 5.100 4.260 4.260 4.260 . 0 0 "[ ]" 1
1130 1 57 GLU H 1 59 VAL H . . 4.500 4.158 4.158 4.158 . 0 0 "[ ]" 1
1131 1 57 GLU HA 1 57 GLU HG2 . . 4.200 2.924 2.924 2.924 . 0 0 "[ ]" 1
1132 1 57 GLU HA 1 57 GLU HG3 . . 4.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
1133 1 57 GLU HA 1 58 ALA H . . 4.200 3.597 3.597 3.597 . 0 0 "[ ]" 1
1134 1 57 GLU HA 1 59 VAL H . . 4.600 4.364 4.364 4.364 . 0 0 "[ ]" 1
1135 1 57 GLU HA 1 60 GLY H . . 4.900 3.142 3.142 3.142 . 0 0 "[ ]" 1
1136 1 57 GLU HB2 1 58 ALA H . . 3.400 2.730 2.730 2.730 . 0 0 "[ ]" 1
1137 1 57 GLU HB3 1 58 ALA H . . 3.900 3.763 3.763 3.763 . 0 0 "[ ]" 1
1138 1 57 GLU HG2 1 58 ALA H . . 4.300 4.399 4.399 4.399 0.099 1 0 "[ ]" 1
1139 1 57 GLU HG3 1 58 ALA H . . 6.000 4.971 4.971 4.971 . 0 0 "[ ]" 1
1140 1 58 ALA H 1 58 ALA MB . . 3.500 2.233 2.233 2.233 . 0 0 "[ ]" 1
1141 1 58 ALA H 1 59 VAL H . . 3.300 2.820 2.820 2.820 . 0 0 "[ ]" 1
1142 1 58 ALA HA 1 59 VAL H . . 3.900 3.595 3.595 3.595 . 0 0 "[ ]" 1
1143 1 58 ALA MB 1 59 VAL H . . 3.700 2.491 2.491 2.491 . 0 0 "[ ]" 1
1144 1 58 ALA MB 1 59 VAL HA . . 5.100 3.980 3.980 3.980 . 0 0 "[ ]" 1
1145 1 58 ALA MB 1 60 GLY H . . 5.700 4.197 4.197 4.197 . 0 0 "[ ]" 1
1146 1 59 VAL H 1 60 GLY H . . 3.500 2.735 2.735 2.735 . 0 0 "[ ]" 1
1147 1 59 VAL H 1 60 GLY HA2 . . 5.100 5.000 5.000 5.000 . 0 0 "[ ]" 1
1148 1 59 VAL HA 1 60 GLY H . . 3.900 3.434 3.434 3.434 . 0 0 "[ ]" 1
1149 1 60 GLY H 1 61 HIS H . . 4.400 3.746 3.746 3.746 . 0 0 "[ ]" 1
1150 1 60 GLY HA2 1 61 HIS H . . 5.800 3.565 3.565 3.565 . 0 0 "[ ]" 1
1151 1 61 HIS H 1 61 HIS HB2 . . 3.700 3.571 3.571 3.571 . 0 0 "[ ]" 1
1152 1 61 HIS HA 1 62 SER H . . 3.600 2.184 2.184 2.184 . 0 0 "[ ]" 1
1153 1 62 SER H 1 62 SER HB3 . . 3.700 3.574 3.574 3.574 . 0 0 "[ ]" 1
1154 1 62 SER H 1 63 THR H . . 5.100 4.727 4.727 4.727 . 0 0 "[ ]" 1
1155 1 62 SER H 1 64 ASP H . . 5.600 5.278 5.278 5.278 . 0 0 "[ ]" 1
1156 1 62 SER H 1 65 ALA H . . 5.300 3.884 3.884 3.884 . 0 0 "[ ]" 1
1157 1 62 SER HA 1 63 THR H . . 3.300 2.324 2.324 2.324 . 0 0 "[ ]" 1
1158 1 62 SER HA 1 64 ASP H . . 4.100 4.166 4.166 4.166 0.066 1 0 "[ ]" 1
1159 1 62 SER HA 1 65 ALA H . . 4.400 4.351 4.351 4.351 . 0 0 "[ ]" 1
1160 1 62 SER HA 1 66 ARG H . . 6.000 5.062 5.062 5.062 . 0 0 "[ ]" 1
1161 1 62 SER HB2 1 63 THR H . . 3.600 3.859 3.859 3.859 0.259 1 0 "[ ]" 1
1162 1 62 SER HB2 1 64 ASP H . . 3.900 3.199 3.199 3.199 . 0 0 "[ ]" 1
1163 1 62 SER HB3 1 63 THR H . . 4.000 2.793 2.793 2.793 . 0 0 "[ ]" 1
1164 1 62 SER HB3 1 64 ASP H . . 4.300 2.834 2.834 2.834 . 0 0 "[ ]" 1
1165 1 63 THR H 1 63 THR HB . . 3.800 2.666 2.666 2.666 . 0 0 "[ ]" 1
1166 1 63 THR H 1 64 ASP H . . 3.800 2.862 2.862 2.862 . 0 0 "[ ]" 1
1167 1 63 THR H 1 65 ALA H . . 5.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
1168 1 63 THR HA 1 64 ASP H . . 3.500 3.540 3.540 3.540 0.040 1 0 "[ ]" 1
1169 1 63 THR HA 1 65 ALA H . . 4.500 4.425 4.425 4.425 . 0 0 "[ ]" 1
1170 1 63 THR HA 1 66 ARG H . . 3.500 3.487 3.487 3.487 . 0 0 "[ ]" 1
1171 1 63 THR HA 1 66 ARG HB2 . . 3.400 2.406 2.406 2.406 . 0 0 "[ ]" 1
1172 1 63 THR HA 1 66 ARG HB3 . . 3.700 3.747 3.747 3.747 0.047 1 0 "[ ]" 1
1173 1 63 THR HA 1 66 ARG HD2 . . 5.700 5.003 5.003 5.003 . 0 0 "[ ]" 1
1174 1 63 THR HA 1 66 ARG HG2 . . 6.000 3.987 3.987 3.987 . 0 0 "[ ]" 1
1175 1 63 THR HA 1 66 ARG HG3 . . 5.300 5.202 5.202 5.202 . 0 0 "[ ]" 1
1176 1 63 THR HA 1 67 GLU H . . 4.100 3.966 3.966 3.966 . 0 0 "[ ]" 1
1177 1 63 THR HB 1 64 ASP H . . 4.300 2.381 2.381 2.381 . 0 0 "[ ]" 1
1178 1 63 THR HB 1 65 ALA H . . 6.000 4.901 4.901 4.901 . 0 0 "[ ]" 1
1179 1 63 THR HB 1 66 ARG H . . 6.000 5.451 5.451 5.451 . 0 0 "[ ]" 1
1180 1 64 ASP H 1 64 ASP HB2 . . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 1
1181 1 64 ASP H 1 64 ASP HB3 . . 3.800 3.500 3.500 3.500 . 0 0 "[ ]" 1
1182 1 64 ASP H 1 65 ALA H . . 3.500 2.727 2.727 2.727 . 0 0 "[ ]" 1
1183 1 64 ASP H 1 67 GLU H . . 4.600 4.610 4.610 4.610 0.010 1 0 "[ ]" 1
1184 1 64 ASP HA 1 65 ALA H . . 4.200 3.565 3.565 3.565 . 0 0 "[ ]" 1
1185 1 64 ASP HA 1 66 ARG H . . 5.500 4.521 4.521 4.521 . 0 0 "[ ]" 1
1186 1 64 ASP HA 1 67 GLU H . . 4.400 3.489 3.489 3.489 . 0 0 "[ ]" 1
1187 1 64 ASP HA 1 67 GLU HB2 . . 3.500 2.357 2.357 2.357 . 0 0 "[ ]" 1
1188 1 64 ASP HA 1 67 GLU HB3 . . 3.700 3.825 3.825 3.825 0.125 1 0 "[ ]" 1
1189 1 64 ASP HA 1 68 LEU H . . 4.500 3.891 3.891 3.891 . 0 0 "[ ]" 1
1190 1 64 ASP HB2 1 65 ALA H . . 3.500 2.529 2.529 2.529 . 0 0 "[ ]" 1
1191 1 64 ASP HB2 1 66 ARG H . . 5.300 4.926 4.926 4.926 . 0 0 "[ ]" 1
1192 1 64 ASP HB3 1 65 ALA H . . 3.800 3.823 3.823 3.823 0.023 1 0 "[ ]" 1
1193 1 64 ASP HB3 1 66 ARG H . . 5.900 5.803 5.803 5.803 . 0 0 "[ ]" 1
1194 1 65 ALA H 1 66 ARG H . . 3.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
1195 1 65 ALA H 1 67 GLU H . . 4.800 4.085 4.085 4.085 . 0 0 "[ ]" 1
1196 1 65 ALA HA 1 66 ARG H . . 5.200 3.564 3.564 3.564 . 0 0 "[ ]" 1
1197 1 65 ALA HA 1 67 GLU H . . 6.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
1198 1 65 ALA HA 1 68 LEU H . . 5.000 3.326 3.326 3.326 . 0 0 "[ ]" 1
1199 1 65 ALA HA 1 68 LEU HB3 . . 4.100 2.258 2.258 2.258 . 0 0 "[ ]" 1
1200 1 65 ALA HA 1 68 LEU MD2 . . 6.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
1201 1 65 ALA HA 1 69 SER H . . 4.700 4.008 4.008 4.008 . 0 0 "[ ]" 1
1202 1 65 ALA MB 1 66 ARG H . . 4.500 2.506 2.506 2.506 . 0 0 "[ ]" 1
1203 1 66 ARG H 1 66 ARG HB2 . . 3.400 2.161 2.161 2.161 . 0 0 "[ ]" 1
1204 1 66 ARG H 1 66 ARG HB3 . . 3.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
1205 1 66 ARG H 1 66 ARG HD3 . . 3.700 2.878 2.878 2.878 . 0 0 "[ ]" 1
1206 1 66 ARG H 1 66 ARG HG2 . . 4.100 4.222 4.222 4.222 0.122 1 0 "[ ]" 1
1207 1 66 ARG H 1 66 ARG HG3 . . 4.700 4.161 4.161 4.161 . 0 0 "[ ]" 1
1208 1 66 ARG H 1 67 GLU H . . 3.500 2.728 2.728 2.728 . 0 0 "[ ]" 1
1209 1 66 ARG H 1 67 GLU HB2 . . 5.100 4.526 4.526 4.526 . 0 0 "[ ]" 1
1210 1 66 ARG H 1 68 LEU H . . 4.000 4.075 4.075 4.075 0.075 1 0 "[ ]" 1
1211 1 66 ARG H 1 69 SER H . . 5.800 4.641 4.641 4.641 . 0 0 "[ ]" 1
1212 1 66 ARG HA 1 66 ARG HD2 . . 4.100 2.674 2.674 2.674 . 0 0 "[ ]" 1
1213 1 66 ARG HA 1 66 ARG HD3 . . 4.200 3.617 3.617 3.617 . 0 0 "[ ]" 1
1214 1 66 ARG HA 1 66 ARG HG2 . . 3.900 3.619 3.619 3.619 . 0 0 "[ ]" 1
1215 1 66 ARG HA 1 67 GLU H . . 4.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
1216 1 66 ARG HA 1 68 LEU H . . 5.100 4.535 4.535 4.535 . 0 0 "[ ]" 1
1217 1 66 ARG HA 1 69 SER H . . 4.700 3.436 3.436 3.436 . 0 0 "[ ]" 1
1218 1 66 ARG HA 1 69 SER QB . . 6.400 3.048 3.048 3.048 . 0 0 "[ ]" 1
1219 1 66 ARG HA 1 70 LYS H . . 5.200 4.962 4.962 4.962 . 0 0 "[ ]" 1
1220 1 66 ARG HB2 1 66 ARG HD2 . . 4.300 3.213 3.213 3.213 . 0 0 "[ ]" 1
1221 1 66 ARG HB2 1 66 ARG HD3 . . 3.800 2.409 2.409 2.409 . 0 0 "[ ]" 1
1222 1 66 ARG HB2 1 67 GLU H . . 3.800 2.811 2.811 2.811 . 0 0 "[ ]" 1
1223 1 66 ARG HB3 1 66 ARG HD3 . . 4.200 3.620 3.620 3.620 . 0 0 "[ ]" 1
1224 1 66 ARG HB3 1 67 GLU H . . 4.300 2.987 2.987 2.987 . 0 0 "[ ]" 1
1225 1 66 ARG HD2 1 66 ARG HG3 . . 3.000 2.465 2.465 2.465 . 0 0 "[ ]" 1
1226 1 66 ARG HD2 1 67 GLU H . . 6.000 5.206 5.206 5.206 . 0 0 "[ ]" 1
1227 1 66 ARG HD3 1 66 ARG HG2 . . 3.100 2.528 2.528 2.528 . 0 0 "[ ]" 1
1228 1 66 ARG HD3 1 67 GLU H . . 5.100 4.941 4.941 4.941 . 0 0 "[ ]" 1
1229 1 66 ARG HG2 1 67 GLU H . . 5.000 4.991 4.991 4.991 . 0 0 "[ ]" 1
1230 1 66 ARG HG3 1 67 GLU H . . 6.000 4.955 4.955 4.955 . 0 0 "[ ]" 1
1231 1 67 GLU H 1 67 GLU HB2 . . 3.300 2.227 2.227 2.227 . 0 0 "[ ]" 1
1232 1 67 GLU H 1 67 GLU HB3 . . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
1233 1 67 GLU H 1 67 GLU HG2 . . 3.300 2.467 2.467 2.467 . 0 0 "[ ]" 1
1234 1 67 GLU H 1 67 GLU HG3 . . 3.800 3.727 3.727 3.727 . 0 0 "[ ]" 1
1235 1 67 GLU H 1 68 LEU H . . 3.300 2.765 2.765 2.765 . 0 0 "[ ]" 1
1236 1 67 GLU H 1 68 LEU HB2 . . 5.700 5.426 5.426 5.426 . 0 0 "[ ]" 1
1237 1 67 GLU H 1 68 LEU HB3 . . 5.700 4.604 4.604 4.604 . 0 0 "[ ]" 1
1238 1 67 GLU H 1 69 SER H . . 4.800 4.204 4.204 4.204 . 0 0 "[ ]" 1
1239 1 67 GLU HA 1 67 GLU HG2 . . 3.300 2.913 2.913 2.913 . 0 0 "[ ]" 1
1240 1 67 GLU HA 1 67 GLU HG3 . . 3.400 3.547 3.547 3.547 0.147 1 0 "[ ]" 1
1241 1 67 GLU HA 1 68 LEU H . . 3.800 3.602 3.602 3.602 . 0 0 "[ ]" 1
1242 1 67 GLU HA 1 69 SER H . . 4.800 4.530 4.530 4.530 . 0 0 "[ ]" 1
1243 1 67 GLU HA 1 70 LYS H . . 4.100 3.510 3.510 3.510 . 0 0 "[ ]" 1
1244 1 67 GLU HB2 1 67 GLU HG2 . . 3.100 2.460 2.460 2.460 . 0 0 "[ ]" 1
1245 1 67 GLU HB2 1 68 LEU H . . 3.500 2.685 2.685 2.685 . 0 0 "[ ]" 1
1246 1 67 GLU HB3 1 67 GLU HG3 . . 3.100 2.384 2.384 2.384 . 0 0 "[ ]" 1
1247 1 67 GLU HB3 1 68 LEU H . . 3.700 3.424 3.424 3.424 . 0 0 "[ ]" 1
1248 1 68 LEU H 1 68 LEU HB2 . . 3.100 2.748 2.748 2.748 . 0 0 "[ ]" 1
1249 1 68 LEU H 1 68 LEU HB3 . . 3.200 2.173 2.173 2.173 . 0 0 "[ ]" 1
1250 1 68 LEU H 1 68 LEU MD1 . . 5.200 4.318 4.318 4.318 . 0 0 "[ ]" 1
1251 1 68 LEU H 1 68 LEU MD2 . . 5.200 4.089 4.089 4.089 . 0 0 "[ ]" 1
1252 1 68 LEU H 1 68 LEU HG . . 4.100 4.161 4.161 4.161 0.061 1 0 "[ ]" 1
1253 1 68 LEU H 1 69 SER H . . 3.600 2.799 2.799 2.799 . 0 0 "[ ]" 1
1254 1 68 LEU H 1 70 LYS H . . 4.600 4.208 4.208 4.208 . 0 0 "[ ]" 1
1255 1 68 LEU HA 1 68 LEU MD1 . . 3.600 2.472 2.472 2.472 . 0 0 "[ ]" 1
1256 1 68 LEU HA 1 68 LEU HG . . 4.000 3.407 3.407 3.407 . 0 0 "[ ]" 1
1257 1 68 LEU HA 1 69 SER H . . 4.800 3.631 3.631 3.631 . 0 0 "[ ]" 1
1258 1 68 LEU HA 1 70 LYS H . . 5.100 3.958 3.958 3.958 . 0 0 "[ ]" 1
1259 1 68 LEU HA 1 71 THR H . . 4.400 3.357 3.357 3.357 . 0 0 "[ ]" 1
1260 1 68 LEU HB2 1 69 SER H . . 4.300 4.146 4.146 4.146 . 0 0 "[ ]" 1
1261 1 68 LEU HB3 1 69 SER H . . 3.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
1262 1 68 LEU MD1 1 71 THR H . . 6.600 3.851 3.851 3.851 . 0 0 "[ ]" 1
1263 1 68 LEU MD1 1 72 PHE QE . . 7.400 2.518 2.518 2.518 . 0 0 "[ ]" 1
1264 1 68 LEU MD1 1 72 PHE HZ . . 5.200 2.635 2.635 2.635 . 0 0 "[ ]" 1
1265 1 68 LEU MD2 1 69 SER H . . 5.800 4.143 4.143 4.143 . 0 0 "[ ]" 1
1266 1 68 LEU MD2 1 72 PHE QE . . 7.300 2.901 2.901 2.901 . 0 0 "[ ]" 1
1267 1 68 LEU MD2 1 72 PHE HZ . . 5.400 3.826 3.826 3.826 . 0 0 "[ ]" 1
1268 1 68 LEU HG 1 69 SER H . . 4.500 3.195 3.195 3.195 . 0 0 "[ ]" 1
1269 1 68 LEU HG 1 69 SER HA . . 5.100 3.502 3.502 3.502 . 0 0 "[ ]" 1
1270 1 68 LEU HG 1 72 PHE QD . . 7.200 3.577 3.577 3.577 . 0 0 "[ ]" 1
1271 1 68 LEU HG 1 72 PHE QE . . 5.900 2.549 2.549 2.549 . 0 0 "[ ]" 1
1272 1 68 LEU HG 1 72 PHE HZ . . 4.500 4.375 4.375 4.375 . 0 0 "[ ]" 1
1273 1 69 SER H 1 70 LYS H . . 3.700 3.002 3.002 3.002 . 0 0 "[ ]" 1
1274 1 69 SER H 1 72 PHE QD . . 8.000 4.566 4.566 4.566 . 0 0 "[ ]" 1
1275 1 69 SER H 1 72 PHE QE . . 8.000 5.106 5.106 5.106 . 0 0 "[ ]" 1
1276 1 69 SER HA 1 70 LYS H . . 4.100 3.598 3.598 3.598 . 0 0 "[ ]" 1
1277 1 69 SER HA 1 72 PHE H . . 5.300 3.410 3.410 3.410 . 0 0 "[ ]" 1
1278 1 69 SER HA 1 72 PHE QD . . 5.500 2.253 2.253 2.253 . 0 0 "[ ]" 1
1279 1 69 SER HA 1 72 PHE QE . . 6.300 3.936 3.936 3.936 . 0 0 "[ ]" 1
1280 1 69 SER QB 1 70 LYS H . . 6.600 2.914 2.914 2.914 . 0 0 "[ ]" 1
1281 1 70 LYS H 1 70 LYS HG2 . . 3.700 3.452 3.452 3.452 . 0 0 "[ ]" 1
1282 1 70 LYS H 1 70 LYS HG3 . . 3.000 2.209 2.209 2.209 . 0 0 "[ ]" 1
1283 1 70 LYS H 1 71 THR H . . 3.500 2.724 2.724 2.724 . 0 0 "[ ]" 1
1284 1 70 LYS H 1 73 ILE QG . . 5.500 4.361 4.361 4.361 . 0 0 "[ ]" 1
1285 1 70 LYS HA 1 70 LYS HG2 . . 3.400 2.553 2.553 2.553 . 0 0 "[ ]" 1
1286 1 70 LYS HA 1 70 LYS HG3 . . 3.500 3.069 3.069 3.069 . 0 0 "[ ]" 1
1287 1 70 LYS HA 1 71 THR H . . 4.100 3.613 3.613 3.613 . 0 0 "[ ]" 1
1288 1 70 LYS HA 1 72 PHE H . . 3.900 3.724 3.724 3.724 . 0 0 "[ ]" 1
1289 1 70 LYS HA 1 73 ILE H . . 4.600 3.105 3.105 3.105 . 0 0 "[ ]" 1
1290 1 70 LYS HA 1 73 ILE QG . . 3.600 2.276 2.276 2.276 . 0 0 "[ ]" 1
1291 1 70 LYS QB 1 73 ILE H . . 6.100 4.377 4.377 4.377 . 0 0 "[ ]" 1
1292 1 71 THR H 1 71 THR HB . . 3.800 2.671 2.671 2.671 . 0 0 "[ ]" 1
1293 1 71 THR H 1 71 THR MG . . 4.400 3.653 3.653 3.653 . 0 0 "[ ]" 1
1294 1 71 THR H 1 72 PHE H . . 3.400 2.772 2.772 2.772 . 0 0 "[ ]" 1
1295 1 71 THR H 1 72 PHE QD . . 7.900 4.969 4.969 4.969 . 0 0 "[ ]" 1
1296 1 71 THR H 1 73 ILE H . . 5.100 4.148 4.148 4.148 . 0 0 "[ ]" 1
1297 1 71 THR HA 1 72 PHE H . . 4.200 3.509 3.509 3.509 . 0 0 "[ ]" 1
1298 1 71 THR HB 1 72 PHE H . . 4.400 3.159 3.159 3.159 . 0 0 "[ ]" 1
1299 1 71 THR HB 1 72 PHE QE . . 8.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
1300 1 72 PHE H 1 72 PHE QE . . 5.400 4.904 4.904 4.904 . 0 0 "[ ]" 1
1301 1 72 PHE H 1 73 ILE H . . 3.200 2.272 2.272 2.272 . 0 0 "[ ]" 1
1302 1 72 PHE H 1 73 ILE HB . . 4.200 4.326 4.326 4.326 0.126 1 0 "[ ]" 1
1303 1 72 PHE H 1 73 ILE QG . . 4.800 3.724 3.724 3.724 . 0 0 "[ ]" 1
1304 1 72 PHE QB 1 73 ILE H . . 6.000 3.343 3.343 3.343 . 0 0 "[ ]" 1
1305 1 73 ILE H 1 73 ILE HB . . 2.900 2.249 2.249 2.249 . 0 0 "[ ]" 1
1306 1 73 ILE H 1 73 ILE MD . . 4.900 3.795 3.795 3.795 . 0 0 "[ ]" 1
1307 1 73 ILE H 1 73 ILE QG . . 3.400 2.495 2.495 2.495 . 0 0 "[ ]" 1
1308 1 73 ILE H 1 74 ILE H . . 4.700 4.328 4.328 4.328 . 0 0 "[ ]" 1
1309 1 73 ILE HA 1 73 ILE MD . . 4.600 3.714 3.714 3.714 . 0 0 "[ ]" 1
1310 1 73 ILE HA 1 73 ILE QG . . 3.600 2.197 2.197 2.197 . 0 0 "[ ]" 1
1311 1 73 ILE HA 1 74 ILE H . . 2.900 2.106 2.106 2.106 . 0 0 "[ ]" 1
1312 1 73 ILE HA 1 74 ILE HG12 . . 5.300 4.011 4.011 4.011 . 0 0 "[ ]" 1
1313 1 73 ILE HA 1 74 ILE HG13 . . 4.400 4.457 4.457 4.457 0.057 1 0 "[ ]" 1
1314 1 73 ILE HA 1 75 GLY H . . 3.600 3.340 3.340 3.340 . 0 0 "[ ]" 1
1315 1 73 ILE HB 1 73 ILE QG . . 2.700 2.325 2.325 2.325 . 0 0 "[ ]" 1
1316 1 73 ILE MD 1 74 ILE H . . 6.200 5.213 5.213 5.213 . 0 0 "[ ]" 1
1317 1 73 ILE QG 1 74 ILE H . . 4.900 3.987 3.987 3.987 . 0 0 "[ ]" 1
1318 1 73 ILE QG 1 75 GLY H . . 4.800 4.459 4.459 4.459 . 0 0 "[ ]" 1
1319 1 73 ILE MG 1 75 GLY H . . 4.200 2.682 2.682 2.682 . 0 0 "[ ]" 1
1320 1 74 ILE H 1 74 ILE MD . . 5.500 3.809 3.809 3.809 . 0 0 "[ ]" 1
1321 1 74 ILE H 1 74 ILE HG12 . . 3.500 2.274 2.274 2.274 . 0 0 "[ ]" 1
1322 1 74 ILE H 1 74 ILE HG13 . . 3.300 2.462 2.462 2.462 . 0 0 "[ ]" 1
1323 1 74 ILE H 1 74 ILE MG . . 4.100 2.930 2.930 2.930 . 0 0 "[ ]" 1
1324 1 74 ILE H 1 75 GLY H . . 3.100 2.180 2.180 2.180 . 0 0 "[ ]" 1
1325 1 74 ILE HA 1 74 ILE HB . . 3.100 2.495 2.495 2.495 . 0 0 "[ ]" 1
1326 1 74 ILE HA 1 74 ILE HG12 . . 4.300 3.827 3.827 3.827 . 0 0 "[ ]" 1
1327 1 74 ILE HA 1 75 GLY H . . 4.200 3.484 3.484 3.484 . 0 0 "[ ]" 1
1328 1 74 ILE HB 1 75 GLY H . . 4.700 4.130 4.130 4.130 . 0 0 "[ ]" 1
1329 1 74 ILE MD 1 75 GLY H . . 6.600 4.371 4.371 4.371 . 0 0 "[ ]" 1
1330 1 74 ILE HG12 1 75 GLY H . . 4.200 3.790 3.790 3.790 . 0 0 "[ ]" 1
1331 1 74 ILE HG13 1 75 GLY H . . 4.400 2.771 2.771 2.771 . 0 0 "[ ]" 1
1332 1 74 ILE MG 1 75 GLY H . . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
1333 1 75 GLY HA2 1 76 GLU H . . 3.500 2.580 2.580 2.580 . 0 0 "[ ]" 1
1334 1 75 GLY HA3 1 76 GLU H . . 3.400 2.556 2.556 2.556 . 0 0 "[ ]" 1
1335 1 76 GLU H 1 76 GLU HB2 . . 3.900 2.579 2.579 2.579 . 0 0 "[ ]" 1
1336 1 76 GLU H 1 76 GLU HB3 . . 3.700 3.710 3.710 3.710 0.010 1 0 "[ ]" 1
1337 1 76 GLU H 1 77 LEU H . . 4.900 4.542 4.542 4.542 . 0 0 "[ ]" 1
1338 1 76 GLU HA 1 77 LEU H . . 3.100 2.407 2.407 2.407 . 0 0 "[ ]" 1
1339 1 76 GLU HB2 1 77 LEU H . . 3.400 3.643 3.643 3.643 0.243 1 0 "[ ]" 1
1340 1 76 GLU HB3 1 77 LEU H . . 3.600 2.316 2.316 2.316 . 0 0 "[ ]" 1
1341 1 76 GLU QG 1 77 LEU H . . 7.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
1342 1 77 LEU H 1 77 LEU MD1 . . 5.100 4.113 4.113 4.113 . 0 0 "[ ]" 1
1343 1 77 LEU H 1 77 LEU MD2 . . 4.900 4.107 4.107 4.107 . 0 0 "[ ]" 1
1344 1 77 LEU H 1 77 LEU HG . . 4.400 4.387 4.387 4.387 . 0 0 "[ ]" 1
1345 1 77 LEU H 1 78 HIS H . . 5.800 4.611 4.611 4.611 . 0 0 "[ ]" 1
1346 1 77 LEU H 1 82 ARG HE . . 6.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
1347 1 77 LEU HA 1 77 LEU MD1 . . 4.000 2.211 2.211 2.211 . 0 0 "[ ]" 1
1348 1 77 LEU HA 1 77 LEU HG . . 4.100 3.162 3.162 3.162 . 0 0 "[ ]" 1
1349 1 77 LEU HA 1 78 HIS H . . 3.000 2.284 2.284 2.284 . 0 0 "[ ]" 1
1350 1 77 LEU QB 1 78 HIS H . . 6.400 3.863 3.863 3.863 . 0 0 "[ ]" 1
1351 1 77 LEU MD1 1 78 HIS H . . 4.400 2.646 2.646 2.646 . 0 0 "[ ]" 1
1352 1 77 LEU MD1 1 78 HIS QB . . 6.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
1353 1 77 LEU MD1 1 81 ASP H . . 5.900 4.502 4.502 4.502 . 0 0 "[ ]" 1
1354 1 77 LEU MD1 1 81 ASP HA . . 7.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
1355 1 77 LEU MD1 1 81 ASP HB2 . . 5.300 2.565 2.565 2.565 . 0 0 "[ ]" 1
1356 1 77 LEU MD1 1 81 ASP HB3 . . 4.800 2.474 2.474 2.474 . 0 0 "[ ]" 1
1357 1 77 LEU MD1 1 82 ARG HE . . 6.700 5.105 5.105 5.105 . 0 0 "[ ]" 1
1358 1 77 LEU MD2 1 78 HIS H . . 6.300 4.634 4.634 4.634 . 0 0 "[ ]" 1
1359 1 77 LEU MD2 1 81 ASP H . . 6.700 4.576 4.576 4.576 . 0 0 "[ ]" 1
1360 1 77 LEU MD2 1 81 ASP HA . . 7.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
1361 1 77 LEU MD2 1 81 ASP HB2 . . 5.000 3.203 3.203 3.203 . 0 0 "[ ]" 1
1362 1 77 LEU MD2 1 81 ASP HB3 . . 4.900 3.017 3.017 3.017 . 0 0 "[ ]" 1
1363 1 77 LEU MD2 1 82 ARG HE . . 6.600 3.400 3.400 3.400 . 0 0 "[ ]" 1
1364 1 77 LEU HG 1 78 HIS H . . 4.500 3.201 3.201 3.201 . 0 0 "[ ]" 1
1365 1 77 LEU HG 1 78 HIS QB . . 5.300 4.131 4.131 4.131 . 0 0 "[ ]" 1
1366 1 77 LEU HG 1 81 ASP H . . 4.800 3.847 3.847 3.847 . 0 0 "[ ]" 1
1367 1 77 LEU HG 1 81 ASP HB2 . . 4.000 2.352 2.352 2.352 . 0 0 "[ ]" 1
1368 1 77 LEU HG 1 82 ARG H . . 5.400 4.207 4.207 4.207 . 0 0 "[ ]" 1
1369 1 77 LEU HG 1 82 ARG HE . . 5.600 3.739 3.739 3.739 . 0 0 "[ ]" 1
1370 1 78 HIS H 1 78 HIS QB . . 3.400 2.126 2.126 2.126 . 0 0 "[ ]" 1
1371 1 78 HIS H 1 78 HIS HD2 . . 4.700 4.232 4.232 4.232 . 0 0 "[ ]" 1
1372 1 78 HIS H 1 79 PRO QG . . 7.000 6.243 6.243 6.243 . 0 0 "[ ]" 1
1373 1 78 HIS H 1 81 ASP H . . 5.700 4.685 4.685 4.685 . 0 0 "[ ]" 1
1374 1 78 HIS HA 1 78 HIS HD2 . . 4.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
1375 1 78 HIS HA 1 79 PRO QG . . 5.700 4.030 4.030 4.030 . 0 0 "[ ]" 1
1376 1 78 HIS HA 1 82 ARG HE . . 6.000 4.949 4.949 4.949 . 0 0 "[ ]" 1
1377 1 78 HIS QB 1 78 HIS HD2 . . 3.500 2.608 2.608 2.608 . 0 0 "[ ]" 1
1378 1 78 HIS QB 1 78 HIS HE1 . . 4.800 4.494 4.494 4.494 . 0 0 "[ ]" 1
1379 1 78 HIS QB 1 80 ASP H . . 4.700 3.435 3.435 3.435 . 0 0 "[ ]" 1
1380 1 78 HIS HD2 1 79 PRO QG . . 7.000 5.425 5.425 5.425 . 0 0 "[ ]" 1
1381 1 78 HIS HD2 1 80 ASP H . . 6.000 5.819 5.819 5.819 . 0 0 "[ ]" 1
1382 1 78 HIS HE1 1 79 PRO QG . . 5.600 3.477 3.477 3.477 . 0 0 "[ ]" 1
1383 1 78 HIS HE1 1 80 ASP H . . 3.900 3.978 3.978 3.978 0.078 1 0 "[ ]" 1
1384 1 79 PRO HA 1 80 ASP H . . 4.900 3.641 3.641 3.641 . 0 0 "[ ]" 1
1385 1 79 PRO HA 1 81 ASP H . . 5.300 3.709 3.709 3.709 . 0 0 "[ ]" 1
1386 1 79 PRO HA 1 81 ASP HB2 . . 4.600 5.078 5.078 5.078 0.478 1 0 "[ ]" 1
1387 1 79 PRO HA 1 82 ARG H . . 4.500 3.081 3.081 3.081 . 0 0 "[ ]" 1
1388 1 79 PRO HA 1 82 ARG HB2 . . 3.600 2.502 2.502 2.502 . 0 0 "[ ]" 1
1389 1 79 PRO HA 1 82 ARG HB3 . . 4.100 2.437 2.437 2.437 . 0 0 "[ ]" 1
1390 1 79 PRO HA 1 82 ARG HE . . 4.200 2.840 2.840 2.840 . 0 0 "[ ]" 1
1391 1 79 PRO HB2 1 80 ASP H . . 4.600 3.283 3.283 3.283 . 0 0 "[ ]" 1
1392 1 79 PRO HB3 1 80 ASP H . . 4.700 4.236 4.236 4.236 . 0 0 "[ ]" 1
1393 1 79 PRO HB3 1 81 ASP H . . 5.900 5.540 5.540 5.540 . 0 0 "[ ]" 1
1394 1 79 PRO HB3 1 82 ARG H . . 5.000 5.075 5.075 5.075 0.075 1 0 "[ ]" 1
1395 1 79 PRO HB3 1 82 ARG HE . . 5.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
1396 1 79 PRO QG 1 80 ASP H . . 5.800 2.486 2.486 2.486 . 0 0 "[ ]" 1
1397 1 80 ASP H 1 80 ASP HB2 . . 3.300 2.611 2.611 2.611 . 0 0 "[ ]" 1
1398 1 80 ASP H 1 80 ASP HB3 . . 3.700 3.532 3.532 3.532 . 0 0 "[ ]" 1
1399 1 80 ASP H 1 81 ASP H . . 3.400 2.972 2.972 2.972 . 0 0 "[ ]" 1
1400 1 80 ASP H 1 82 ARG H . . 4.900 4.257 4.257 4.257 . 0 0 "[ ]" 1
1401 1 80 ASP HA 1 81 ASP H . . 4.300 3.538 3.538 3.538 . 0 0 "[ ]" 1
1402 1 80 ASP HA 1 82 ARG H . . 4.600 3.996 3.996 3.996 . 0 0 "[ ]" 1
1403 1 80 ASP HB3 1 81 ASP H . . 4.600 4.045 4.045 4.045 . 0 0 "[ ]" 1
1404 1 81 ASP H 1 81 ASP HB2 . . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
1405 1 81 ASP H 1 81 ASP HB3 . . 3.700 3.604 3.604 3.604 . 0 0 "[ ]" 1
1406 1 81 ASP H 1 82 ARG H . . 3.200 2.423 2.423 2.423 . 0 0 "[ ]" 1
1407 1 81 ASP H 1 82 ARG HA . . 4.700 4.724 4.724 4.724 0.024 1 0 "[ ]" 1
1408 1 81 ASP H 1 82 ARG HB2 . . 5.000 3.874 3.874 3.874 . 0 0 "[ ]" 1
1409 1 81 ASP HA 1 82 ARG H . . 3.900 3.423 3.423 3.423 . 0 0 "[ ]" 1
1410 1 81 ASP HB2 1 82 ARG H . . 4.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
1411 1 81 ASP HB2 1 82 ARG HA . . 5.500 4.389 4.389 4.389 . 0 0 "[ ]" 1
1412 1 81 ASP HB2 1 82 ARG HE . . 4.900 5.388 5.388 5.388 0.488 1 0 "[ ]" 1
1413 1 81 ASP HB3 1 82 ARG H . . 4.800 4.311 4.311 4.311 . 0 0 "[ ]" 1
1414 1 82 ARG H 1 82 ARG HB2 . . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
1415 1 82 ARG H 1 82 ARG HB3 . . 3.500 2.565 2.565 2.565 . 0 0 "[ ]" 1
1416 1 82 ARG H 1 82 ARG HE . . 5.700 4.401 4.401 4.401 . 0 0 "[ ]" 1
1417 1 82 ARG HA 1 82 ARG HE . . 5.200 4.138 4.138 4.138 . 0 0 "[ ]" 1
1418 1 82 ARG HB2 1 82 ARG HE . . 3.600 1.969 1.969 1.969 . 0 0 "[ ]" 1
1419 1 82 ARG HB3 1 82 ARG HE . . 4.400 2.938 2.938 2.938 . 0 0 "[ ]" 1
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