NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375150 |
1f03   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f03
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 1510
_Distance_constraint_stats_list.Viol_count 115
_Distance_constraint_stats_list.Viol_total 11.122
_Distance_constraint_stats_list.Viol_max 0.530
_Distance_constraint_stats_list.Viol_rms 0.0425
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0967
_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 0.019 0.019 1 0 "[ ]"
1 3 LYS 0.300 0.280 1 0 "[ ]"
1 4 TYR 0.395 0.280 1 0 "[ ]"
1 5 TYR 0.307 0.275 1 0 "[ ]"
1 6 THR 0.130 0.111 1 0 "[ ]"
1 7 LEU 0.548 0.278 1 0 "[ ]"
1 8 GLU 0.202 0.105 1 0 "[ ]"
1 9 GLU 0.857 0.275 1 0 "[ ]"
1 10 ILE 0.186 0.169 1 0 "[ ]"
1 11 GLN 0.058 0.058 1 0 "[ ]"
1 12 LYS 0.029 0.029 1 0 "[ ]"
1 13 HIS 0.193 0.118 1 0 "[ ]"
1 14 ASN 0.141 0.118 1 0 "[ ]"
1 15 ASN 0.127 0.127 1 0 "[ ]"
1 17 LYS 0.056 0.042 1 0 "[ ]"
1 18 SER 0.006 0.006 1 0 "[ ]"
1 19 THR 0.003 0.003 1 0 "[ ]"
1 20 TRP 0.508 0.435 1 0 "[ ]"
1 21 LEU 0.498 0.435 1 0 "[ ]"
1 22 ILE 0.358 0.350 1 0 "[ ]"
1 23 LEU 0.170 0.100 1 0 "[ ]"
1 24 HIS 0.067 0.067 1 0 "[ ]"
1 25 TYR 0.022 0.022 1 0 "[ ]"
1 26 LYS 0.246 0.246 1 0 "[ ]"
1 27 VAL 0.398 0.350 1 0 "[ ]"
1 28 TYR 0.121 0.100 1 0 "[ ]"
1 29 ASP 0.000 0.000 . 0 "[ ]"
1 30 LEU 0.878 0.367 1 0 "[ ]"
1 31 THR 0.034 0.034 1 0 "[ ]"
1 32 LYS 1.158 0.440 1 0 "[ ]"
1 33 PHE 1.339 0.430 1 0 "[ ]"
1 34 LEU 0.273 0.213 1 0 "[ ]"
1 35 GLU 0.036 0.035 1 0 "[ ]"
1 36 GLU 0.161 0.102 1 0 "[ ]"
1 37 HIS 0.031 0.029 1 0 "[ ]"
1 38 PRO 0.000 0.000 . 0 "[ ]"
1 40 GLY 0.000 0.000 . 0 "[ ]"
1 41 GLU 0.000 0.000 . 0 "[ ]"
1 42 ALA 0.000 0.000 . 0 "[ ]"
1 43 VAL 0.000 0.000 . 0 "[ ]"
1 44 LEU 0.000 0.000 . 0 "[ ]"
1 45 ARG 0.000 0.000 . 0 "[ ]"
1 46 ALA 0.040 0.040 1 0 "[ ]"
1 47 GLN 0.135 0.051 1 0 "[ ]"
1 48 ALA 0.044 0.036 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 0.011 0.007 1 0 "[ ]"
1 53 THR 0.076 0.069 1 0 "[ ]"
1 54 ALA 0.092 0.056 1 0 "[ ]"
1 55 ASN 0.000 0.000 . 0 "[ ]"
1 56 PHE 0.355 0.316 1 0 "[ ]"
1 57 GLU 0.590 0.316 1 0 "[ ]"
1 58 ALA 0.088 0.088 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 0.000 0.000 . 0 "[ ]"
1 63 THR 0.423 0.370 1 0 "[ ]"
1 64 ASP 0.322 0.215 1 0 "[ ]"
1 65 ALA 0.313 0.215 1 0 "[ ]"
1 66 ARG 0.526 0.370 1 0 "[ ]"
1 67 GLU 0.427 0.107 1 0 "[ ]"
1 68 LEU 0.080 0.052 1 0 "[ ]"
1 69 SER 0.117 0.117 1 0 "[ ]"
1 70 LYS 0.655 0.530 1 1 [+]
1 71 THR 0.081 0.051 1 0 "[ ]"
1 72 PHE 0.312 0.117 1 0 "[ ]"
1 73 ILE 0.681 0.530 1 1 [+]
1 74 ILE 0.039 0.039 1 0 "[ ]"
1 75 GLY 0.018 0.018 1 0 "[ ]"
1 76 GLU 0.498 0.233 1 0 "[ ]"
1 77 LEU 0.512 0.278 1 0 "[ ]"
1 78 HIS 0.154 0.050 1 0 "[ ]"
1 79 PRO 0.797 0.473 1 0 "[ ]"
1 80 ASP 0.301 0.200 1 0 "[ ]"
1 81 ASP 0.670 0.495 1 0 "[ ]"
1 82 ARG 1.038 0.495 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 HA 1 3 LYS H . . 2.500 2.437 2.437 2.437 . 0 0 "[ ]" 1
2 1 2 VAL HB 1 3 LYS H . . 4.100 4.119 4.119 4.119 0.019 1 0 "[ ]" 1
3 1 2 VAL HB 1 4 TYR CZ . . 6.600 5.875 5.875 5.875 . 0 0 "[ ]" 1
4 1 2 VAL MG1 1 3 LYS H . . 4.700 3.286 3.286 3.286 . 0 0 "[ ]" 1
5 1 2 VAL MG1 1 4 TYR CG . . 8.600 4.201 4.201 4.201 . 0 0 "[ ]" 1
6 1 2 VAL MG1 1 4 TYR CZ . . 7.300 3.123 3.123 3.123 . 0 0 "[ ]" 1
7 1 2 VAL MG2 1 3 LYS H . . 4.500 2.134 2.134 2.134 . 0 0 "[ ]" 1
8 1 2 VAL MG2 1 4 TYR CG . . 7.600 4.497 4.497 4.497 . 0 0 "[ ]" 1
9 1 2 VAL MG2 1 4 TYR CZ . . 6.700 4.009 4.009 4.009 . 0 0 "[ ]" 1
10 1 2 VAL MG2 1 4 TYR H . . 7.000 4.733 4.733 4.733 . 0 0 "[ ]" 1
11 1 2 VAL MG2 1 4 TYR HA . . 6.000 4.320 4.320 4.320 . 0 0 "[ ]" 1
12 1 2 VAL MG2 1 75 GLY HA3 . . 6.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
13 1 2 VAL MG2 1 76 GLU H . . 5.200 3.394 3.394 3.394 . 0 0 "[ ]" 1
14 1 2 VAL MG2 1 76 GLU HA . . 7.000 5.237 5.237 5.237 . 0 0 "[ ]" 1
15 1 2 VAL MG2 1 76 GLU HB3 . . 5.400 4.907 4.907 4.907 . 0 0 "[ ]" 1
16 1 3 LYS H 1 3 LYS HA . . 3.100 2.921 2.921 2.921 . 0 0 "[ ]" 1
17 1 3 LYS H 1 3 LYS HG2 . . 4.800 4.624 4.624 4.624 . 0 0 "[ ]" 1
18 1 3 LYS H 1 3 LYS HG3 . . 5.200 4.731 4.731 4.731 . 0 0 "[ ]" 1
19 1 3 LYS H 1 75 GLY HA2 . . 4.300 3.587 3.587 3.587 . 0 0 "[ ]" 1
20 1 3 LYS H 1 76 GLU H . . 5.200 4.166 4.166 4.166 . 0 0 "[ ]" 1
21 1 3 LYS HA 1 3 LYS HG2 . . 4.400 3.150 3.150 3.150 . 0 0 "[ ]" 1
22 1 3 LYS HA 1 3 LYS HG3 . . 3.600 2.380 2.380 2.380 . 0 0 "[ ]" 1
23 1 3 LYS HA 1 4 TYR H . . 2.500 2.262 2.262 2.262 . 0 0 "[ ]" 1
24 1 3 LYS HA 1 4 TYR HA . . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
25 1 3 LYS HA 1 4 TYR HB2 . . 4.400 4.680 4.680 4.680 0.280 1 0 "[ ]" 1
26 1 3 LYS QB 1 4 TYR H . . 5.100 3.655 3.655 3.655 . 0 0 "[ ]" 1
27 1 3 LYS QB 1 5 TYR CG . . 9.000 5.181 5.181 5.181 . 0 0 "[ ]" 1
28 1 3 LYS QB 1 5 TYR CZ . . 7.500 3.429 3.429 3.429 . 0 0 "[ ]" 1
29 1 3 LYS HD2 1 5 TYR CZ . . 7.800 5.727 5.727 5.727 . 0 0 "[ ]" 1
30 1 3 LYS HD3 1 5 TYR CZ . . 8.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
31 1 3 LYS HG2 1 4 TYR H . . 4.600 2.826 2.826 2.826 . 0 0 "[ ]" 1
32 1 3 LYS HG2 1 5 TYR CZ . . 6.800 4.013 4.013 4.013 . 0 0 "[ ]" 1
33 1 3 LYS HG3 1 4 TYR H . . 4.200 2.810 2.810 2.810 . 0 0 "[ ]" 1
34 1 3 LYS HG3 1 5 TYR CZ . . 6.700 5.629 5.629 5.629 . 0 0 "[ ]" 1
35 1 4 TYR CG 1 76 GLU H . . 6.300 4.191 4.191 4.191 . 0 0 "[ ]" 1
36 1 4 TYR CG 1 76 GLU HB2 . . 5.800 4.014 4.014 4.014 . 0 0 "[ ]" 1
37 1 4 TYR CG 1 76 GLU HB3 . . 5.700 4.244 4.244 4.244 . 0 0 "[ ]" 1
38 1 4 TYR CG 1 78 HIS H . . 7.000 5.492 5.492 5.492 . 0 0 "[ ]" 1
39 1 4 TYR CG 1 78 HIS HA . . 6.200 3.554 3.554 3.554 . 0 0 "[ ]" 1
40 1 4 TYR CG 1 78 HIS HB2 . . 6.900 5.527 5.527 5.527 . 0 0 "[ ]" 1
41 1 4 TYR CG 1 79 PRO QG . . 7.000 4.714 4.714 4.714 . 0 0 "[ ]" 1
42 1 4 TYR CZ 1 4 TYR HA . . 6.200 5.149 5.149 5.149 . 0 0 "[ ]" 1
43 1 4 TYR CZ 1 76 GLU HB2 . . 6.000 4.069 4.069 4.069 . 0 0 "[ ]" 1
44 1 4 TYR CZ 1 76 GLU HB3 . . 5.600 4.674 4.674 4.674 . 0 0 "[ ]" 1
45 1 4 TYR CZ 1 76 GLU QG . . 8.300 5.672 5.672 5.672 . 0 0 "[ ]" 1
46 1 4 TYR CZ 1 79 PRO QG . . 7.300 5.035 5.035 5.035 . 0 0 "[ ]" 1
47 1 4 TYR H 1 4 TYR HB2 . . 3.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
48 1 4 TYR H 1 4 TYR HB3 . . 3.600 3.639 3.639 3.639 0.039 1 0 "[ ]" 1
49 1 4 TYR H 1 76 GLU H . . 4.900 4.878 4.878 4.878 . 0 0 "[ ]" 1
50 1 4 TYR HA 1 4 TYR HB2 . . 3.100 3.023 3.023 3.023 . 0 0 "[ ]" 1
51 1 4 TYR HA 1 4 TYR HB3 . . 3.100 2.329 2.329 2.329 . 0 0 "[ ]" 1
52 1 4 TYR HA 1 5 TYR H . . 2.700 2.341 2.341 2.341 . 0 0 "[ ]" 1
53 1 4 TYR HA 1 27 VAL MG2 . . 6.700 4.244 4.244 4.244 . 0 0 "[ ]" 1
54 1 4 TYR HA 1 75 GLY HA3 . . 6.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
55 1 4 TYR HA 1 76 GLU H . . 3.500 2.392 2.392 2.392 . 0 0 "[ ]" 1
56 1 4 TYR HA 1 76 GLU HB2 . . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
57 1 4 TYR HA 1 76 GLU HB3 . . 4.400 4.353 4.353 4.353 . 0 0 "[ ]" 1
58 1 4 TYR HA 1 78 HIS H . . 4.800 4.850 4.850 4.850 0.050 1 0 "[ ]" 1
59 1 4 TYR HA 1 78 HIS HA . . 4.500 4.375 4.375 4.375 . 0 0 "[ ]" 1
60 1 4 TYR HA 1 78 HIS HB2 . . 5.200 5.213 5.213 5.213 0.013 1 0 "[ ]" 1
61 1 4 TYR HB2 1 5 TYR H . . 3.700 3.712 3.712 3.712 0.012 1 0 "[ ]" 1
62 1 4 TYR HB2 1 5 TYR HA . . 5.100 4.707 4.707 4.707 . 0 0 "[ ]" 1
63 1 4 TYR HB2 1 78 HIS H . . 4.800 4.725 4.725 4.725 . 0 0 "[ ]" 1
64 1 4 TYR HB2 1 78 HIS HA . . 3.900 2.763 2.763 2.763 . 0 0 "[ ]" 1
65 1 4 TYR HB2 1 78 HIS HD2 . . 3.700 2.360 2.360 2.360 . 0 0 "[ ]" 1
66 1 4 TYR HB3 1 5 TYR H . . 3.300 2.640 2.640 2.640 . 0 0 "[ ]" 1
67 1 4 TYR HB3 1 78 HIS H . . 3.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
68 1 4 TYR HB3 1 78 HIS HA . . 4.700 2.080 2.080 2.080 . 0 0 "[ ]" 1
69 1 4 TYR HB3 1 78 HIS HD2 . . 3.600 3.273 3.273 3.273 . 0 0 "[ ]" 1
70 1 5 TYR CG 1 6 THR H . . 6.500 4.599 4.599 4.599 . 0 0 "[ ]" 1
71 1 5 TYR CG 1 9 GLU HB3 . . 6.100 4.655 4.655 4.655 . 0 0 "[ ]" 1
72 1 5 TYR CG 1 9 GLU QG . . 7.600 5.360 5.360 5.360 . 0 0 "[ ]" 1
73 1 5 TYR CG 1 10 ILE MG . . 6.900 5.720 5.720 5.720 . 0 0 "[ ]" 1
74 1 5 TYR CG 1 20 TRP HH2 . . 6.600 4.227 4.227 4.227 . 0 0 "[ ]" 1
75 1 5 TYR CG 1 20 TRP HZ3 . . 5.900 2.900 2.900 2.900 . 0 0 "[ ]" 1
76 1 5 TYR CG 1 27 VAL HB . . 6.500 4.593 4.593 4.593 . 0 0 "[ ]" 1
77 1 5 TYR CG 1 27 VAL MG1 . . 7.100 3.835 3.835 3.835 . 0 0 "[ ]" 1
78 1 5 TYR CG 1 27 VAL MG2 . . 6.500 3.650 3.650 3.650 . 0 0 "[ ]" 1
79 1 5 TYR CG 1 74 ILE MD . . 7.800 3.841 3.841 3.841 . 0 0 "[ ]" 1
80 1 5 TYR CG 1 74 ILE HG12 . . 8.000 6.438 6.438 6.438 . 0 0 "[ ]" 1
81 1 5 TYR CG 1 74 ILE HG13 . . 7.400 5.007 5.007 5.007 . 0 0 "[ ]" 1
82 1 5 TYR CG 1 75 GLY HA2 . . 6.800 6.651 6.651 6.651 . 0 0 "[ ]" 1
83 1 5 TYR CG 1 75 GLY HA3 . . 7.200 4.885 4.885 4.885 . 0 0 "[ ]" 1
84 1 5 TYR CG 1 76 GLU H . . 6.800 5.281 5.281 5.281 . 0 0 "[ ]" 1
85 1 5 TYR CZ 1 5 TYR HA . . 6.400 5.169 5.169 5.169 . 0 0 "[ ]" 1
86 1 5 TYR CZ 1 6 THR H . . 8.000 7.152 7.152 7.152 . 0 0 "[ ]" 1
87 1 5 TYR CZ 1 9 GLU HB3 . . 8.000 6.620 6.620 6.620 . 0 0 "[ ]" 1
88 1 5 TYR CZ 1 9 GLU QG . . 9.000 6.827 6.827 6.827 . 0 0 "[ ]" 1
89 1 5 TYR CZ 1 20 TRP HH2 . . 5.900 3.573 3.573 3.573 . 0 0 "[ ]" 1
90 1 5 TYR CZ 1 20 TRP HZ3 . . 7.100 4.055 4.055 4.055 . 0 0 "[ ]" 1
91 1 5 TYR CZ 1 27 VAL MG1 . . 7.600 4.966 4.966 4.966 . 0 0 "[ ]" 1
92 1 5 TYR CZ 1 27 VAL MG2 . . 8.100 5.205 5.205 5.205 . 0 0 "[ ]" 1
93 1 5 TYR CZ 1 74 ILE H . . 8.000 6.404 6.404 6.404 . 0 0 "[ ]" 1
94 1 5 TYR CZ 1 74 ILE HB . . 6.700 3.655 3.655 3.655 . 0 0 "[ ]" 1
95 1 5 TYR CZ 1 74 ILE MD . . 6.600 3.172 3.172 3.172 . 0 0 "[ ]" 1
96 1 5 TYR CZ 1 74 ILE HG12 . . 6.500 5.707 5.707 5.707 . 0 0 "[ ]" 1
97 1 5 TYR CZ 1 74 ILE HG13 . . 6.700 4.330 4.330 4.330 . 0 0 "[ ]" 1
98 1 5 TYR CZ 1 74 ILE MG . . 7.700 5.024 5.024 5.024 . 0 0 "[ ]" 1
99 1 5 TYR CZ 1 75 GLY H . . 8.000 5.498 5.498 5.498 . 0 0 "[ ]" 1
100 1 5 TYR CZ 1 75 GLY HA2 . . 6.900 5.694 5.694 5.694 . 0 0 "[ ]" 1
101 1 5 TYR CZ 1 75 GLY HA3 . . 6.000 4.069 4.069 4.069 . 0 0 "[ ]" 1
102 1 5 TYR CZ 1 76 GLU H . . 6.900 5.521 5.521 5.521 . 0 0 "[ ]" 1
103 1 5 TYR H 1 5 TYR QB . . 3.300 2.675 2.675 2.675 . 0 0 "[ ]" 1
104 1 5 TYR H 1 6 THR H . . 4.400 4.419 4.419 4.419 0.019 1 0 "[ ]" 1
105 1 5 TYR H 1 6 THR MG . . 6.900 5.124 5.124 5.124 . 0 0 "[ ]" 1
106 1 5 TYR H 1 27 VAL MG1 . . 6.200 5.007 5.007 5.007 . 0 0 "[ ]" 1
107 1 5 TYR H 1 27 VAL MG2 . . 5.300 3.263 3.263 3.263 . 0 0 "[ ]" 1
108 1 5 TYR H 1 76 GLU H . . 4.100 3.874 3.874 3.874 . 0 0 "[ ]" 1
109 1 5 TYR H 1 76 GLU HB3 . . 6.000 5.100 5.100 5.100 . 0 0 "[ ]" 1
110 1 5 TYR H 1 77 LEU HA . . 4.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
111 1 5 TYR H 1 78 HIS H . . 4.000 3.095 3.095 3.095 . 0 0 "[ ]" 1
112 1 5 TYR H 1 78 HIS HB2 . . 4.300 3.651 3.651 3.651 . 0 0 "[ ]" 1
113 1 5 TYR H 1 78 HIS HB3 . . 5.300 5.206 5.206 5.206 . 0 0 "[ ]" 1
114 1 5 TYR HA 1 6 THR H . . 2.600 2.227 2.227 2.227 . 0 0 "[ ]" 1
115 1 5 TYR HA 1 6 THR MG . . 4.600 3.496 3.496 3.496 . 0 0 "[ ]" 1
116 1 5 TYR HA 1 9 GLU HB3 . . 3.900 4.175 4.175 4.175 0.275 1 0 "[ ]" 1
117 1 5 TYR HA 1 27 VAL MG2 . . 6.200 4.868 4.868 4.868 . 0 0 "[ ]" 1
118 1 5 TYR QB 1 6 THR H . . 3.800 2.958 2.958 2.958 . 0 0 "[ ]" 1
119 1 5 TYR QB 1 10 ILE H . . 3.600 3.537 3.537 3.537 . 0 0 "[ ]" 1
120 1 5 TYR QB 1 10 ILE MG . . 4.800 4.146 4.146 4.146 . 0 0 "[ ]" 1
121 1 5 TYR QB 1 20 TRP HH2 . . 5.900 4.662 4.662 4.662 . 0 0 "[ ]" 1
122 1 5 TYR QB 1 20 TRP HZ3 . . 4.200 2.692 2.692 2.692 . 0 0 "[ ]" 1
123 1 5 TYR QB 1 27 VAL MG1 . . 7.000 3.021 3.021 3.021 . 0 0 "[ ]" 1
124 1 5 TYR QB 1 27 VAL MG2 . . 5.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
125 1 6 THR H 1 6 THR MG . . 3.700 2.198 2.198 2.198 . 0 0 "[ ]" 1
126 1 6 THR H 1 7 LEU H . . 4.900 4.633 4.633 4.633 . 0 0 "[ ]" 1
127 1 6 THR H 1 9 GLU H . . 4.700 3.585 3.585 3.585 . 0 0 "[ ]" 1
128 1 6 THR H 1 9 GLU HB3 . . 3.500 3.611 3.611 3.611 0.111 1 0 "[ ]" 1
129 1 6 THR H 1 9 GLU QG . . 6.100 3.487 3.487 3.487 . 0 0 "[ ]" 1
130 1 6 THR H 1 77 LEU MD1 . . 7.000 5.111 5.111 5.111 . 0 0 "[ ]" 1
131 1 6 THR H 1 78 HIS HB2 . . 5.100 3.492 3.492 3.492 . 0 0 "[ ]" 1
132 1 6 THR H 1 78 HIS HB3 . . 5.400 4.733 4.733 4.733 . 0 0 "[ ]" 1
133 1 6 THR HA 1 7 LEU H . . 2.900 2.369 2.369 2.369 . 0 0 "[ ]" 1
134 1 6 THR HA 1 7 LEU HA . . 5.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
135 1 6 THR HA 1 77 LEU MD1 . . 5.500 3.367 3.367 3.367 . 0 0 "[ ]" 1
136 1 6 THR HA 1 78 HIS H . . 4.200 3.060 3.060 3.060 . 0 0 "[ ]" 1
137 1 6 THR HA 1 78 HIS HB2 . . 3.900 2.377 2.377 2.377 . 0 0 "[ ]" 1
138 1 6 THR HA 1 78 HIS HB3 . . 4.000 2.557 2.557 2.557 . 0 0 "[ ]" 1
139 1 6 THR HB 1 7 LEU H . . 4.400 2.729 2.729 2.729 . 0 0 "[ ]" 1
140 1 6 THR MG 1 7 LEU H . . 5.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
141 1 6 THR MG 1 8 GLU H . . 5.600 4.278 4.278 4.278 . 0 0 "[ ]" 1
142 1 6 THR MG 1 9 GLU H . . 6.700 3.812 3.812 3.812 . 0 0 "[ ]" 1
143 1 6 THR MG 1 78 HIS H . . 5.500 4.381 4.381 4.381 . 0 0 "[ ]" 1
144 1 6 THR MG 1 78 HIS HB2 . . 5.500 2.688 2.688 2.688 . 0 0 "[ ]" 1
145 1 6 THR MG 1 78 HIS HB3 . . 5.600 2.781 2.781 2.781 . 0 0 "[ ]" 1
146 1 6 THR MG 1 78 HIS HD2 . . 4.600 3.366 3.366 3.366 . 0 0 "[ ]" 1
147 1 7 LEU H 1 7 LEU HB2 . . 3.100 2.064 2.064 2.064 . 0 0 "[ ]" 1
148 1 7 LEU H 1 7 LEU HB3 . . 3.000 3.092 3.092 3.092 0.092 1 0 "[ ]" 1
149 1 7 LEU H 1 7 LEU MD1 . . 5.100 4.166 4.166 4.166 . 0 0 "[ ]" 1
150 1 7 LEU H 1 7 LEU MD2 . . 5.500 4.261 4.261 4.261 . 0 0 "[ ]" 1
151 1 7 LEU H 1 7 LEU HG . . 5.100 3.830 3.830 3.830 . 0 0 "[ ]" 1
152 1 7 LEU H 1 8 GLU H . . 3.200 2.754 2.754 2.754 . 0 0 "[ ]" 1
153 1 7 LEU H 1 8 GLU HB2 . . 5.000 4.977 4.977 4.977 . 0 0 "[ ]" 1
154 1 7 LEU H 1 8 GLU HB3 . . 5.500 4.881 4.881 4.881 . 0 0 "[ ]" 1
155 1 7 LEU H 1 9 GLU H . . 5.600 4.685 4.685 4.685 . 0 0 "[ ]" 1
156 1 7 LEU H 1 77 LEU MD1 . . 4.400 3.168 3.168 3.168 . 0 0 "[ ]" 1
157 1 7 LEU H 1 78 HIS H . . 5.100 4.567 4.567 4.567 . 0 0 "[ ]" 1
158 1 7 LEU H 1 78 HIS HB2 . . 5.000 4.627 4.627 4.627 . 0 0 "[ ]" 1
159 1 7 LEU H 1 78 HIS HB3 . . 5.800 4.218 4.218 4.218 . 0 0 "[ ]" 1
160 1 7 LEU H 1 81 ASP HB2 . . 4.500 2.982 2.982 2.982 . 0 0 "[ ]" 1
161 1 7 LEU H 1 81 ASP HB3 . . 4.600 4.477 4.477 4.477 . 0 0 "[ ]" 1
162 1 7 LEU HA 1 7 LEU HB2 . . 2.700 2.760 2.760 2.760 0.060 1 0 "[ ]" 1
163 1 7 LEU HA 1 7 LEU MD1 . . 4.200 3.788 3.788 3.788 . 0 0 "[ ]" 1
164 1 7 LEU HA 1 7 LEU HG . . 3.600 2.514 2.514 2.514 . 0 0 "[ ]" 1
165 1 7 LEU HA 1 8 GLU H . . 4.200 3.537 3.537 3.537 . 0 0 "[ ]" 1
166 1 7 LEU HA 1 10 ILE H . . 3.700 3.699 3.699 3.699 . 0 0 "[ ]" 1
167 1 7 LEU HA 1 10 ILE HB . . 3.200 2.732 2.732 2.732 . 0 0 "[ ]" 1
168 1 7 LEU HA 1 10 ILE MG . . 5.600 4.102 4.102 4.102 . 0 0 "[ ]" 1
169 1 7 LEU HA 1 11 GLN H . . 4.200 3.905 3.905 3.905 . 0 0 "[ ]" 1
170 1 7 LEU HA 1 77 LEU MD1 . . 4.700 3.281 3.281 3.281 . 0 0 "[ ]" 1
171 1 7 LEU HB2 1 8 GLU H . . 3.300 3.355 3.355 3.355 0.055 1 0 "[ ]" 1
172 1 7 LEU HB2 1 77 LEU MD1 . . 5.800 3.368 3.368 3.368 . 0 0 "[ ]" 1
173 1 7 LEU HB2 1 81 ASP HB2 . . 3.900 3.323 3.323 3.323 . 0 0 "[ ]" 1
174 1 7 LEU HB3 1 8 GLU H . . 3.200 2.738 2.738 2.738 . 0 0 "[ ]" 1
175 1 7 LEU HB3 1 77 LEU MD1 . . 4.400 4.678 4.678 4.678 0.278 1 0 "[ ]" 1
176 1 7 LEU HB3 1 81 ASP HB2 . . 4.900 4.962 4.962 4.962 0.062 1 0 "[ ]" 1
177 1 7 LEU MD2 1 8 GLU H . . 4.900 4.146 4.146 4.146 . 0 0 "[ ]" 1
178 1 7 LEU HG 1 8 GLU H . . 5.400 5.092 5.092 5.092 . 0 0 "[ ]" 1
179 1 7 LEU HG 1 11 GLN QG . . 5.700 4.874 4.874 4.874 . 0 0 "[ ]" 1
180 1 7 LEU HG 1 77 LEU MD1 . . 4.100 2.999 2.999 2.999 . 0 0 "[ ]" 1
181 1 8 GLU H 1 8 GLU HA . . 2.900 2.804 2.804 2.804 . 0 0 "[ ]" 1
182 1 8 GLU H 1 8 GLU HB2 . . 3.000 2.393 2.393 2.393 . 0 0 "[ ]" 1
183 1 8 GLU H 1 8 GLU HB3 . . 3.100 2.551 2.551 2.551 . 0 0 "[ ]" 1
184 1 8 GLU H 1 8 GLU HG2 . . 4.900 4.572 4.572 4.572 . 0 0 "[ ]" 1
185 1 8 GLU H 1 8 GLU HG3 . . 4.700 4.501 4.501 4.501 . 0 0 "[ ]" 1
186 1 8 GLU H 1 9 GLU H . . 3.300 3.017 3.017 3.017 . 0 0 "[ ]" 1
187 1 8 GLU H 1 10 ILE H . . 4.300 4.232 4.232 4.232 . 0 0 "[ ]" 1
188 1 8 GLU HA 1 8 GLU HB2 . . 2.800 2.468 2.468 2.468 . 0 0 "[ ]" 1
189 1 8 GLU HA 1 8 GLU HB3 . . 3.000 3.039 3.039 3.039 0.039 1 0 "[ ]" 1
190 1 8 GLU HA 1 8 GLU HG2 . . 4.400 3.772 3.772 3.772 . 0 0 "[ ]" 1
191 1 8 GLU HA 1 8 GLU HG3 . . 3.300 3.195 3.195 3.195 . 0 0 "[ ]" 1
192 1 8 GLU HA 1 9 GLU H . . 3.600 3.598 3.598 3.598 . 0 0 "[ ]" 1
193 1 8 GLU HA 1 11 GLN H . . 3.700 3.526 3.526 3.526 . 0 0 "[ ]" 1
194 1 8 GLU HA 1 11 GLN QG . . 5.300 3.408 3.408 3.408 . 0 0 "[ ]" 1
195 1 8 GLU HB2 1 8 GLU HG2 . . 3.000 2.445 2.445 2.445 . 0 0 "[ ]" 1
196 1 8 GLU HB2 1 9 GLU H . . 3.500 3.605 3.605 3.605 0.105 1 0 "[ ]" 1
197 1 8 GLU HB3 1 9 GLU H . . 3.100 2.137 2.137 2.137 . 0 0 "[ ]" 1
198 1 8 GLU HG2 1 9 GLU H . . 4.800 4.206 4.206 4.206 . 0 0 "[ ]" 1
199 1 8 GLU HG2 1 9 GLU HA . . 5.200 5.202 5.202 5.202 0.002 1 0 "[ ]" 1
200 1 8 GLU HG3 1 9 GLU H . . 3.700 3.287 3.287 3.287 . 0 0 "[ ]" 1
201 1 9 GLU H 1 9 GLU HA . . 3.100 2.803 2.803 2.803 . 0 0 "[ ]" 1
202 1 9 GLU H 1 9 GLU HB2 . . 3.400 2.204 2.204 2.204 . 0 0 "[ ]" 1
203 1 9 GLU H 1 9 GLU HB3 . . 3.300 3.488 3.488 3.488 0.188 1 0 "[ ]" 1
204 1 9 GLU H 1 10 ILE H . . 3.000 2.898 2.898 2.898 . 0 0 "[ ]" 1
205 1 9 GLU H 1 10 ILE HB . . 5.600 5.133 5.133 5.133 . 0 0 "[ ]" 1
206 1 9 GLU H 1 11 GLN H . . 5.200 4.263 4.263 4.263 . 0 0 "[ ]" 1
207 1 9 GLU HA 1 9 GLU HB2 . . 3.000 3.006 3.006 3.006 0.006 1 0 "[ ]" 1
208 1 9 GLU HA 1 9 GLU HB3 . . 3.000 2.686 2.686 2.686 . 0 0 "[ ]" 1
209 1 9 GLU HA 1 10 ILE H . . 3.900 3.602 3.602 3.602 . 0 0 "[ ]" 1
210 1 9 GLU HA 1 11 GLN H . . 4.700 4.524 4.524 4.524 . 0 0 "[ ]" 1
211 1 9 GLU HA 1 12 LYS H . . 4.200 3.519 3.519 3.519 . 0 0 "[ ]" 1
212 1 9 GLU HA 1 12 LYS QB . . 4.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
213 1 9 GLU HA 1 12 LYS QE . . 5.700 3.161 3.161 3.161 . 0 0 "[ ]" 1
214 1 9 GLU HA 1 12 LYS QG . . 5.100 2.622 2.622 2.622 . 0 0 "[ ]" 1
215 1 9 GLU HB2 1 10 ILE H . . 3.400 2.791 2.791 2.791 . 0 0 "[ ]" 1
216 1 9 GLU HB2 1 20 TRP HZ3 . . 5.500 4.787 4.787 4.787 . 0 0 "[ ]" 1
217 1 9 GLU HB3 1 10 ILE H . . 3.400 3.170 3.170 3.170 . 0 0 "[ ]" 1
218 1 9 GLU HB3 1 10 ILE HA . . 3.900 4.069 4.069 4.069 0.169 1 0 "[ ]" 1
219 1 9 GLU HB3 1 20 TRP HE3 . . 4.800 4.718 4.718 4.718 . 0 0 "[ ]" 1
220 1 9 GLU HB3 1 20 TRP HZ3 . . 4.600 3.503 3.503 3.503 . 0 0 "[ ]" 1
221 1 9 GLU QG 1 10 ILE H . . 5.600 4.525 4.525 4.525 . 0 0 "[ ]" 1
222 1 9 GLU QG 1 20 TRP HH2 . . 6.600 5.709 5.709 5.709 . 0 0 "[ ]" 1
223 1 9 GLU QG 1 20 TRP HZ3 . . 5.700 4.815 4.815 4.815 . 0 0 "[ ]" 1
224 1 10 ILE H 1 10 ILE HB . . 2.800 2.531 2.531 2.531 . 0 0 "[ ]" 1
225 1 10 ILE H 1 11 GLN H . . 2.900 2.760 2.760 2.760 . 0 0 "[ ]" 1
226 1 10 ILE H 1 11 GLN QG . . 6.700 5.190 5.190 5.190 . 0 0 "[ ]" 1
227 1 10 ILE H 1 12 LYS H . . 6.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
228 1 10 ILE H 1 20 TRP HE3 . . 5.000 4.529 4.529 4.529 . 0 0 "[ ]" 1
229 1 10 ILE H 1 20 TRP HZ3 . . 5.000 4.880 4.880 4.880 . 0 0 "[ ]" 1
230 1 10 ILE HA 1 10 ILE HB . . 3.100 3.041 3.041 3.041 . 0 0 "[ ]" 1
231 1 10 ILE HA 1 10 ILE MG . . 3.500 2.393 2.393 2.393 . 0 0 "[ ]" 1
232 1 10 ILE HA 1 11 GLN H . . 3.700 3.607 3.607 3.607 . 0 0 "[ ]" 1
233 1 10 ILE HA 1 12 LYS H . . 4.800 4.375 4.375 4.375 . 0 0 "[ ]" 1
234 1 10 ILE HA 1 13 HIS H . . 4.000 3.656 3.656 3.656 . 0 0 "[ ]" 1
235 1 10 ILE HA 1 13 HIS HB2 . . 4.700 2.989 2.989 2.989 . 0 0 "[ ]" 1
236 1 10 ILE HA 1 13 HIS HB3 . . 5.400 4.679 4.679 4.679 . 0 0 "[ ]" 1
237 1 10 ILE HA 1 13 HIS HD2 . . 4.000 4.017 4.017 4.017 0.017 1 0 "[ ]" 1
238 1 10 ILE HA 1 20 TRP HE3 . . 2.900 2.291 2.291 2.291 . 0 0 "[ ]" 1
239 1 10 ILE HA 1 20 TRP HZ3 . . 3.800 3.801 3.801 3.801 0.001 1 0 "[ ]" 1
240 1 10 ILE HA 1 27 VAL MG1 . . 7.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
241 1 10 ILE HB 1 11 GLN H . . 3.200 2.733 2.733 2.733 . 0 0 "[ ]" 1
242 1 10 ILE HB 1 11 GLN QG . . 5.300 4.297 4.297 4.297 . 0 0 "[ ]" 1
243 1 10 ILE MG 1 11 GLN H . . 4.700 3.589 3.589 3.589 . 0 0 "[ ]" 1
244 1 10 ILE MG 1 11 GLN QG . . 8.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
245 1 10 ILE MG 1 12 LYS H . . 7.000 5.172 5.172 5.172 . 0 0 "[ ]" 1
246 1 10 ILE MG 1 20 TRP H . . 6.600 4.367 4.367 4.367 . 0 0 "[ ]" 1
247 1 10 ILE MG 1 20 TRP HA . . 5.700 4.244 4.244 4.244 . 0 0 "[ ]" 1
248 1 10 ILE MG 1 20 TRP HB2 . . 5.700 2.536 2.536 2.536 . 0 0 "[ ]" 1
249 1 10 ILE MG 1 20 TRP HB3 . . 4.700 2.278 2.278 2.278 . 0 0 "[ ]" 1
250 1 10 ILE MG 1 20 TRP HE3 . . 3.800 2.670 2.670 2.670 . 0 0 "[ ]" 1
251 1 10 ILE MG 1 20 TRP HZ3 . . 6.700 4.685 4.685 4.685 . 0 0 "[ ]" 1
252 1 10 ILE MG 1 21 LEU H . . 4.600 3.234 3.234 3.234 . 0 0 "[ ]" 1
253 1 10 ILE MG 1 22 ILE QG . . 3.700 2.207 2.207 2.207 . 0 0 "[ ]" 1
254 1 10 ILE MG 1 27 VAL HA . . 5.100 4.266 4.266 4.266 . 0 0 "[ ]" 1
255 1 10 ILE MG 1 27 VAL MG1 . . 5.400 2.381 2.381 2.381 . 0 0 "[ ]" 1
256 1 10 ILE MG 1 27 VAL MG2 . . 5.500 3.508 3.508 3.508 . 0 0 "[ ]" 1
257 1 10 ILE MG 1 49 GLY H . . 4.800 3.414 3.414 3.414 . 0 0 "[ ]" 1
258 1 10 ILE MG 1 49 GLY HA2 . . 4.300 2.560 2.560 2.560 . 0 0 "[ ]" 1
259 1 10 ILE MG 1 49 GLY HA3 . . 5.600 4.000 4.000 4.000 . 0 0 "[ ]" 1
260 1 10 ILE MG 1 50 GLY H . . 5.900 3.505 3.505 3.505 . 0 0 "[ ]" 1
261 1 10 ILE MG 1 50 GLY HA3 . . 5.900 4.578 4.578 4.578 . 0 0 "[ ]" 1
262 1 11 GLN H 1 11 GLN HA . . 3.100 2.785 2.785 2.785 . 0 0 "[ ]" 1
263 1 11 GLN H 1 11 GLN HB2 . . 2.900 2.185 2.185 2.185 . 0 0 "[ ]" 1
264 1 11 GLN H 1 11 GLN HB3 . . 3.400 3.458 3.458 3.458 0.058 1 0 "[ ]" 1
265 1 11 GLN H 1 11 GLN QG . . 4.400 2.908 2.908 2.908 . 0 0 "[ ]" 1
266 1 11 GLN H 1 12 LYS H . . 3.400 2.914 2.914 2.914 . 0 0 "[ ]" 1
267 1 11 GLN H 1 12 LYS QG . . 5.700 4.252 4.252 4.252 . 0 0 "[ ]" 1
268 1 11 GLN H 1 13 HIS H . . 5.400 4.158 4.158 4.158 . 0 0 "[ ]" 1
269 1 11 GLN HA 1 11 GLN HB3 . . 2.900 2.743 2.743 2.743 . 0 0 "[ ]" 1
270 1 11 GLN HA 1 12 LYS H . . 4.200 3.605 3.605 3.605 . 0 0 "[ ]" 1
271 1 11 GLN HA 1 13 HIS H . . 3.900 3.611 3.611 3.611 . 0 0 "[ ]" 1
272 1 11 GLN HA 1 49 GLY H . . 5.100 4.812 4.812 4.812 . 0 0 "[ ]" 1
273 1 11 GLN HA 1 49 GLY HA2 . . 3.400 2.581 2.581 2.581 . 0 0 "[ ]" 1
274 1 11 GLN HA 1 49 GLY HA3 . . 4.000 2.574 2.574 2.574 . 0 0 "[ ]" 1
275 1 11 GLN HB2 1 12 LYS H . . 3.800 2.990 2.990 2.990 . 0 0 "[ ]" 1
276 1 11 GLN HB3 1 12 LYS H . . 3.800 3.179 3.179 3.179 . 0 0 "[ ]" 1
277 1 11 GLN HB3 1 12 LYS HA . . 4.800 3.951 3.951 3.951 . 0 0 "[ ]" 1
278 1 11 GLN HB3 1 12 LYS QG . . 4.900 3.724 3.724 3.724 . 0 0 "[ ]" 1
279 1 11 GLN QG 1 12 LYS H . . 6.500 4.503 4.503 4.503 . 0 0 "[ ]" 1
280 1 11 GLN QG 1 49 GLY HA2 . . 6.200 4.455 4.455 4.455 . 0 0 "[ ]" 1
281 1 11 GLN QG 1 49 GLY HA3 . . 5.800 4.216 4.216 4.216 . 0 0 "[ ]" 1
282 1 12 LYS H 1 12 LYS HA . . 3.100 2.836 2.836 2.836 . 0 0 "[ ]" 1
283 1 12 LYS H 1 12 LYS QB . . 2.900 2.668 2.668 2.668 . 0 0 "[ ]" 1
284 1 12 LYS H 1 12 LYS QE . . 6.900 3.992 3.992 3.992 . 0 0 "[ ]" 1
285 1 12 LYS H 1 12 LYS QG . . 4.200 2.033 2.033 2.033 . 0 0 "[ ]" 1
286 1 12 LYS H 1 13 HIS H . . 2.800 2.829 2.829 2.829 0.029 1 0 "[ ]" 1
287 1 12 LYS HA 1 12 LYS QG . . 3.800 2.438 2.438 2.438 . 0 0 "[ ]" 1
288 1 12 LYS HA 1 13 HIS H . . 3.500 3.388 3.388 3.388 . 0 0 "[ ]" 1
289 1 12 LYS QB 1 13 HIS H . . 3.900 3.298 3.298 3.298 . 0 0 "[ ]" 1
290 1 12 LYS QG 1 13 HIS H . . 5.100 4.161 4.161 4.161 . 0 0 "[ ]" 1
291 1 13 HIS H 1 13 HIS HB2 . . 3.200 2.498 2.498 2.498 . 0 0 "[ ]" 1
292 1 13 HIS H 1 13 HIS HB3 . . 4.000 3.680 3.680 3.680 . 0 0 "[ ]" 1
293 1 13 HIS H 1 13 HIS HD2 . . 3.600 2.854 2.854 2.854 . 0 0 "[ ]" 1
294 1 13 HIS H 1 14 ASN H . . 4.200 3.312 3.312 3.312 . 0 0 "[ ]" 1
295 1 13 HIS H 1 14 ASN HD22 . . 5.200 5.318 5.318 5.318 0.118 1 0 "[ ]" 1
296 1 13 HIS H 1 20 TRP H . . 5.600 4.915 4.915 4.915 . 0 0 "[ ]" 1
297 1 13 HIS HA 1 13 HIS HB3 . . 3.000 2.490 2.490 2.490 . 0 0 "[ ]" 1
298 1 13 HIS HA 1 13 HIS HD2 . . 3.700 3.516 3.516 3.516 . 0 0 "[ ]" 1
299 1 13 HIS HA 1 13 HIS HE1 . . 6.000 5.549 5.549 5.549 . 0 0 "[ ]" 1
300 1 13 HIS HA 1 14 ASN H . . 3.100 2.480 2.480 2.480 . 0 0 "[ ]" 1
301 1 13 HIS HA 1 20 TRP H . . 5.900 4.261 4.261 4.261 . 0 0 "[ ]" 1
302 1 13 HIS HB2 1 20 TRP H . . 4.300 3.417 3.417 3.417 . 0 0 "[ ]" 1
303 1 13 HIS HB2 1 20 TRP HB2 . . 4.500 2.208 2.208 2.208 . 0 0 "[ ]" 1
304 1 13 HIS HB2 1 20 TRP HB3 . . 4.700 3.711 3.711 3.711 . 0 0 "[ ]" 1
305 1 13 HIS HB2 1 20 TRP HD1 . . 4.400 4.406 4.406 4.406 0.006 1 0 "[ ]" 1
306 1 13 HIS HB2 1 20 TRP HE3 . . 6.000 3.475 3.475 3.475 . 0 0 "[ ]" 1
307 1 13 HIS HB3 1 13 HIS HD2 . . 4.100 3.939 3.939 3.939 . 0 0 "[ ]" 1
308 1 13 HIS HB3 1 13 HIS HE1 . . 5.400 4.809 4.809 4.809 . 0 0 "[ ]" 1
309 1 13 HIS HB3 1 14 ASN H . . 4.300 4.324 4.324 4.324 0.024 1 0 "[ ]" 1
310 1 13 HIS HB3 1 19 THR HA . . 5.500 4.301 4.301 4.301 . 0 0 "[ ]" 1
311 1 13 HIS HB3 1 20 TRP H . . 4.200 2.698 2.698 2.698 . 0 0 "[ ]" 1
312 1 13 HIS HB3 1 20 TRP HB2 . . 4.500 2.752 2.752 2.752 . 0 0 "[ ]" 1
313 1 13 HIS HD2 1 20 TRP HE3 . . 5.100 4.941 4.941 4.941 . 0 0 "[ ]" 1
314 1 13 HIS HE1 1 20 TRP HH2 . . 6.000 3.984 3.984 3.984 . 0 0 "[ ]" 1
315 1 13 HIS HE1 1 20 TRP HZ2 . . 4.100 3.193 3.193 3.193 . 0 0 "[ ]" 1
316 1 14 ASN H 1 14 ASN HB3 . . 4.000 3.053 3.053 3.053 . 0 0 "[ ]" 1
317 1 14 ASN H 1 15 ASN H . . 3.000 2.183 2.183 2.183 . 0 0 "[ ]" 1
318 1 14 ASN H 1 15 ASN HA . . 5.500 4.786 4.786 4.786 . 0 0 "[ ]" 1
319 1 14 ASN HA 1 48 ALA MB . . 5.500 2.042 2.042 2.042 . 0 0 "[ ]" 1
320 1 14 ASN HA 1 49 GLY H . . 5.400 3.620 3.620 3.620 . 0 0 "[ ]" 1
321 1 14 ASN HB2 1 48 ALA MB . . 5.200 2.550 2.550 2.550 . 0 0 "[ ]" 1
322 1 14 ASN HB2 1 49 GLY HA2 . . 5.600 4.304 4.304 4.304 . 0 0 "[ ]" 1
323 1 14 ASN HB2 1 49 GLY HA3 . . 5.100 3.167 3.167 3.167 . 0 0 "[ ]" 1
324 1 14 ASN HB3 1 48 ALA MB . . 4.600 3.436 3.436 3.436 . 0 0 "[ ]" 1
325 1 14 ASN HB3 1 49 GLY HA2 . . 5.600 3.004 3.004 3.004 . 0 0 "[ ]" 1
326 1 14 ASN HB3 1 49 GLY HA3 . . 5.100 2.130 2.130 2.130 . 0 0 "[ ]" 1
327 1 15 ASN H 1 15 ASN HB3 . . 3.600 2.869 2.869 2.869 . 0 0 "[ ]" 1
328 1 15 ASN H 1 18 SER H . . 5.700 3.506 3.506 3.506 . 0 0 "[ ]" 1
329 1 15 ASN H 1 19 THR HA . . 5.800 4.450 4.450 4.450 . 0 0 "[ ]" 1
330 1 15 ASN H 1 19 THR MG . . 7.000 5.836 5.836 5.836 . 0 0 "[ ]" 1
331 1 15 ASN HA 1 15 ASN HB2 . . 3.000 2.559 2.559 2.559 . 0 0 "[ ]" 1
332 1 15 ASN HA 1 15 ASN HB3 . . 2.900 3.027 3.027 3.027 0.127 1 0 "[ ]" 1
333 1 15 ASN HB3 1 15 ASN HD22 . . 4.100 3.606 3.606 3.606 . 0 0 "[ ]" 1
334 1 17 LYS H 1 17 LYS HB2 . . 3.700 2.851 2.851 2.851 . 0 0 "[ ]" 1
335 1 17 LYS H 1 17 LYS HB3 . . 3.400 3.442 3.442 3.442 0.042 1 0 "[ ]" 1
336 1 17 LYS H 1 17 LYS HG2 . . 4.700 4.714 4.714 4.714 0.014 1 0 "[ ]" 1
337 1 17 LYS H 1 17 LYS HG3 . . 4.700 4.380 4.380 4.380 . 0 0 "[ ]" 1
338 1 17 LYS H 1 18 SER H . . 3.200 1.998 1.998 1.998 . 0 0 "[ ]" 1
339 1 17 LYS HA 1 17 LYS HG2 . . 3.800 2.369 2.369 2.369 . 0 0 "[ ]" 1
340 1 17 LYS HA 1 17 LYS HG3 . . 3.200 2.557 2.557 2.557 . 0 0 "[ ]" 1
341 1 17 LYS HA 1 18 SER H . . 4.300 3.597 3.597 3.597 . 0 0 "[ ]" 1
342 1 17 LYS HB2 1 17 LYS HG3 . . 3.100 2.442 2.442 2.442 . 0 0 "[ ]" 1
343 1 17 LYS HB2 1 18 SER H . . 4.000 3.043 3.043 3.043 . 0 0 "[ ]" 1
344 1 17 LYS HB3 1 17 LYS QE . . 4.800 3.961 3.961 3.961 . 0 0 "[ ]" 1
345 1 17 LYS HB3 1 17 LYS HG2 . . 2.700 2.510 2.510 2.510 . 0 0 "[ ]" 1
346 1 17 LYS HB3 1 18 SER H . . 4.000 2.682 2.682 2.682 . 0 0 "[ ]" 1
347 1 18 SER H 1 18 SER HB2 . . 3.700 2.725 2.725 2.725 . 0 0 "[ ]" 1
348 1 18 SER H 1 18 SER HB3 . . 3.800 3.806 3.806 3.806 0.006 1 0 "[ ]" 1
349 1 18 SER H 1 19 THR H . . 4.700 3.923 3.923 3.923 . 0 0 "[ ]" 1
350 1 18 SER H 1 31 THR MG . . 6.600 4.792 4.792 4.792 . 0 0 "[ ]" 1
351 1 18 SER HA 1 19 THR H . . 3.000 2.193 2.193 2.193 . 0 0 "[ ]" 1
352 1 18 SER HA 1 31 THR HA . . 5.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
353 1 18 SER HA 1 31 THR MG . . 4.100 2.586 2.586 2.586 . 0 0 "[ ]" 1
354 1 18 SER HB2 1 19 THR H . . 5.200 4.456 4.456 4.456 . 0 0 "[ ]" 1
355 1 18 SER HB3 1 19 THR H . . 5.300 3.851 3.851 3.851 . 0 0 "[ ]" 1
356 1 19 THR H 1 19 THR HB . . 3.200 2.460 2.460 2.460 . 0 0 "[ ]" 1
357 1 19 THR H 1 19 THR MG . . 4.600 3.797 3.797 3.797 . 0 0 "[ ]" 1
358 1 19 THR H 1 20 TRP H . . 4.300 4.082 4.082 4.082 . 0 0 "[ ]" 1
359 1 19 THR H 1 20 TRP HD1 . . 4.400 3.881 3.881 3.881 . 0 0 "[ ]" 1
360 1 19 THR H 1 31 THR H . . 5.000 3.795 3.795 3.795 . 0 0 "[ ]" 1
361 1 19 THR H 1 31 THR HA . . 3.700 2.884 2.884 2.884 . 0 0 "[ ]" 1
362 1 19 THR H 1 31 THR HB . . 5.700 1.997 1.997 1.997 . 0 0 "[ ]" 1
363 1 19 THR H 1 31 THR MG . . 4.300 3.357 3.357 3.357 . 0 0 "[ ]" 1
364 1 19 THR H 1 34 LEU MD1 . . 5.900 3.903 3.903 3.903 . 0 0 "[ ]" 1
365 1 19 THR H 1 34 LEU MD2 . . 6.200 4.598 4.598 4.598 . 0 0 "[ ]" 1
366 1 19 THR HA 1 19 THR MG . . 3.700 2.480 2.480 2.480 . 0 0 "[ ]" 1
367 1 19 THR HA 1 20 TRP H . . 2.800 2.339 2.339 2.339 . 0 0 "[ ]" 1
368 1 19 THR HA 1 20 TRP HA . . 4.500 4.503 4.503 4.503 0.003 1 0 "[ ]" 1
369 1 19 THR HA 1 48 ALA MB . . 5.200 2.350 2.350 2.350 . 0 0 "[ ]" 1
370 1 19 THR HB 1 20 TRP H . . 4.700 4.512 4.512 4.512 . 0 0 "[ ]" 1
371 1 19 THR HB 1 30 LEU H . . 6.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
372 1 19 THR HB 1 30 LEU HB3 . . 5.600 5.376 5.376 5.376 . 0 0 "[ ]" 1
373 1 19 THR HB 1 30 LEU MD2 . . 7.000 6.287 6.287 6.287 . 0 0 "[ ]" 1
374 1 19 THR HB 1 31 THR H . . 5.100 3.710 3.710 3.710 . 0 0 "[ ]" 1
375 1 19 THR HB 1 34 LEU MD1 . . 4.300 3.402 3.402 3.402 . 0 0 "[ ]" 1
376 1 19 THR HB 1 34 LEU MD2 . . 4.400 2.909 2.909 2.909 . 0 0 "[ ]" 1
377 1 19 THR HB 1 34 LEU HG . . 4.600 3.556 3.556 3.556 . 0 0 "[ ]" 1
378 1 19 THR HB 1 48 ALA MB . . 4.900 4.114 4.114 4.114 . 0 0 "[ ]" 1
379 1 19 THR MG 1 20 TRP H . . 4.800 3.614 3.614 3.614 . 0 0 "[ ]" 1
380 1 19 THR MG 1 20 TRP HA . . 5.700 4.113 4.113 4.113 . 0 0 "[ ]" 1
381 1 19 THR MG 1 21 LEU MD2 . . 6.200 2.665 2.665 2.665 . 0 0 "[ ]" 1
382 1 19 THR MG 1 30 LEU H . . 5.300 3.926 3.926 3.926 . 0 0 "[ ]" 1
383 1 19 THR MG 1 30 LEU HB2 . . 5.100 3.509 3.509 3.509 . 0 0 "[ ]" 1
384 1 19 THR MG 1 30 LEU MD2 . . 5.500 5.393 5.393 5.393 . 0 0 "[ ]" 1
385 1 19 THR MG 1 31 THR H . . 6.100 4.849 4.849 4.849 . 0 0 "[ ]" 1
386 1 19 THR MG 1 31 THR HA . . 5.500 3.715 3.715 3.715 . 0 0 "[ ]" 1
387 1 19 THR MG 1 34 LEU MD2 . . 4.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
388 1 19 THR MG 1 48 ALA HA . . 4.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
389 1 19 THR MG 1 48 ALA MB . . 4.600 1.928 1.928 1.928 . 0 0 "[ ]" 1
390 1 19 THR MG 1 49 GLY H . . 5.500 4.294 4.294 4.294 . 0 0 "[ ]" 1
391 1 20 TRP H 1 20 TRP HB2 . . 3.400 2.470 2.470 2.470 . 0 0 "[ ]" 1
392 1 20 TRP H 1 20 TRP HB3 . . 3.600 3.646 3.646 3.646 0.046 1 0 "[ ]" 1
393 1 20 TRP H 1 20 TRP HD1 . . 4.700 3.241 3.241 3.241 . 0 0 "[ ]" 1
394 1 20 TRP H 1 20 TRP HE3 . . 5.700 5.531 5.531 5.531 . 0 0 "[ ]" 1
395 1 20 TRP H 1 21 LEU H . . 6.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
396 1 20 TRP H 1 48 ALA HA . . 4.800 4.632 4.632 4.632 . 0 0 "[ ]" 1
397 1 20 TRP H 1 48 ALA MB . . 5.200 3.037 3.037 3.037 . 0 0 "[ ]" 1
398 1 20 TRP H 1 49 GLY H . . 4.800 3.639 3.639 3.639 . 0 0 "[ ]" 1
399 1 20 TRP H 1 49 GLY HA2 . . 5.200 4.368 4.368 4.368 . 0 0 "[ ]" 1
400 1 20 TRP HA 1 20 TRP HB3 . . 3.100 2.457 2.457 2.457 . 0 0 "[ ]" 1
401 1 20 TRP HA 1 20 TRP HD1 . . 3.700 2.618 2.618 2.618 . 0 0 "[ ]" 1
402 1 20 TRP HA 1 20 TRP HE1 . . 4.900 4.792 4.792 4.792 . 0 0 "[ ]" 1
403 1 20 TRP HA 1 21 LEU H . . 2.600 2.446 2.446 2.446 . 0 0 "[ ]" 1
404 1 20 TRP HA 1 21 LEU HB3 . . 4.400 4.835 4.835 4.835 0.435 1 0 "[ ]" 1
405 1 20 TRP HA 1 21 LEU MD1 . . 6.400 4.490 4.490 4.490 . 0 0 "[ ]" 1
406 1 20 TRP HA 1 21 LEU MD2 . . 7.000 4.593 4.593 4.593 . 0 0 "[ ]" 1
407 1 20 TRP HA 1 27 VAL MG1 . . 5.300 3.906 3.906 3.906 . 0 0 "[ ]" 1
408 1 20 TRP HA 1 28 TYR H . . 5.200 4.314 4.314 4.314 . 0 0 "[ ]" 1
409 1 20 TRP HA 1 29 ASP HA . . 3.400 2.457 2.457 2.457 . 0 0 "[ ]" 1
410 1 20 TRP HA 1 29 ASP HB2 . . 5.700 4.256 4.256 4.256 . 0 0 "[ ]" 1
411 1 20 TRP HA 1 30 LEU H . . 3.600 3.511 3.511 3.511 . 0 0 "[ ]" 1
412 1 20 TRP HA 1 30 LEU MD1 . . 6.800 4.118 4.118 4.118 . 0 0 "[ ]" 1
413 1 20 TRP HA 1 30 LEU HG . . 6.000 5.336 5.336 5.336 . 0 0 "[ ]" 1
414 1 20 TRP HA 1 74 ILE MD . . 7.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
415 1 20 TRP HB2 1 20 TRP HE3 . . 4.400 3.160 3.160 3.160 . 0 0 "[ ]" 1
416 1 20 TRP HB2 1 20 TRP HZ3 . . 6.000 5.503 5.503 5.503 . 0 0 "[ ]" 1
417 1 20 TRP HB2 1 21 LEU H . . 3.600 3.617 3.617 3.617 0.017 1 0 "[ ]" 1
418 1 20 TRP HB2 1 27 VAL MG1 . . 6.100 3.911 3.911 3.911 . 0 0 "[ ]" 1
419 1 20 TRP HB2 1 74 ILE MD . . 5.800 4.571 4.571 4.571 . 0 0 "[ ]" 1
420 1 20 TRP HB3 1 20 TRP HE3 . . 4.200 2.808 2.808 2.808 . 0 0 "[ ]" 1
421 1 20 TRP HB3 1 20 TRP HZ3 . . 5.600 5.159 5.159 5.159 . 0 0 "[ ]" 1
422 1 20 TRP HB3 1 21 LEU H . . 2.900 2.394 2.394 2.394 . 0 0 "[ ]" 1
423 1 20 TRP HB3 1 27 VAL MG1 . . 5.200 2.600 2.600 2.600 . 0 0 "[ ]" 1
424 1 20 TRP HB3 1 29 ASP HA . . 4.800 4.273 4.273 4.273 . 0 0 "[ ]" 1
425 1 20 TRP HB3 1 49 GLY H . . 5.000 4.730 4.730 4.730 . 0 0 "[ ]" 1
426 1 20 TRP HD1 1 21 LEU H . . 5.000 4.893 4.893 4.893 . 0 0 "[ ]" 1
427 1 20 TRP HD1 1 27 VAL MG1 . . 7.000 5.023 5.023 5.023 . 0 0 "[ ]" 1
428 1 20 TRP HD1 1 29 ASP HA . . 3.500 2.511 2.511 2.511 . 0 0 "[ ]" 1
429 1 20 TRP HD1 1 29 ASP HB2 . . 4.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
430 1 20 TRP HD1 1 29 ASP HB3 . . 6.000 4.400 4.400 4.400 . 0 0 "[ ]" 1
431 1 20 TRP HD1 1 30 LEU H . . 4.300 3.860 3.860 3.860 . 0 0 "[ ]" 1
432 1 20 TRP HD1 1 74 ILE MD . . 5.800 4.087 4.087 4.087 . 0 0 "[ ]" 1
433 1 20 TRP HE1 1 29 ASP HA . . 4.400 3.829 3.829 3.829 . 0 0 "[ ]" 1
434 1 20 TRP HE1 1 29 ASP HB2 . . 3.700 2.483 2.483 2.483 . 0 0 "[ ]" 1
435 1 20 TRP HE1 1 29 ASP HB3 . . 4.400 3.756 3.756 3.756 . 0 0 "[ ]" 1
436 1 20 TRP HE1 1 74 ILE MD . . 4.400 3.401 3.401 3.401 . 0 0 "[ ]" 1
437 1 20 TRP HE3 1 74 ILE MD . . 5.800 3.154 3.154 3.154 . 0 0 "[ ]" 1
438 1 20 TRP HH2 1 27 VAL MG1 . . 7.000 5.095 5.095 5.095 . 0 0 "[ ]" 1
439 1 20 TRP HH2 1 74 ILE MD . . 4.600 3.189 3.189 3.189 . 0 0 "[ ]" 1
440 1 20 TRP HH2 1 74 ILE MG . . 7.000 5.071 5.071 5.071 . 0 0 "[ ]" 1
441 1 20 TRP HZ2 1 74 ILE MD . . 4.300 3.113 3.113 3.113 . 0 0 "[ ]" 1
442 1 20 TRP HZ2 1 74 ILE MG . . 7.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
443 1 20 TRP HZ3 1 27 VAL MG1 . . 5.100 3.663 3.663 3.663 . 0 0 "[ ]" 1
444 1 20 TRP HZ3 1 27 VAL MG2 . . 5.800 4.835 4.835 4.835 . 0 0 "[ ]" 1
445 1 20 TRP HZ3 1 74 ILE MD . . 5.300 3.314 3.314 3.314 . 0 0 "[ ]" 1
446 1 21 LEU H 1 21 LEU HB2 . . 4.200 4.020 4.020 4.020 . 0 0 "[ ]" 1
447 1 21 LEU H 1 21 LEU HB3 . . 3.900 3.745 3.745 3.745 . 0 0 "[ ]" 1
448 1 21 LEU H 1 21 LEU MD1 . . 4.400 3.206 3.206 3.206 . 0 0 "[ ]" 1
449 1 21 LEU H 1 21 LEU MD2 . . 5.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
450 1 21 LEU H 1 21 LEU HG . . 4.200 2.776 2.776 2.776 . 0 0 "[ ]" 1
451 1 21 LEU H 1 22 ILE H . . 4.600 4.293 4.293 4.293 . 0 0 "[ ]" 1
452 1 21 LEU H 1 22 ILE HA . . 4.700 4.620 4.620 4.620 . 0 0 "[ ]" 1
453 1 21 LEU H 1 27 VAL HA . . 5.600 3.923 3.923 3.923 . 0 0 "[ ]" 1
454 1 21 LEU H 1 27 VAL MG1 . . 5.100 2.819 2.819 2.819 . 0 0 "[ ]" 1
455 1 21 LEU H 1 27 VAL MG2 . . 6.900 4.989 4.989 4.989 . 0 0 "[ ]" 1
456 1 21 LEU H 1 28 TYR CG . . 6.900 5.692 5.692 5.692 . 0 0 "[ ]" 1
457 1 21 LEU H 1 28 TYR H . . 3.500 2.711 2.711 2.711 . 0 0 "[ ]" 1
458 1 21 LEU H 1 29 ASP HA . . 4.900 4.343 4.343 4.343 . 0 0 "[ ]" 1
459 1 21 LEU H 1 30 LEU MD1 . . 5.900 4.406 4.406 4.406 . 0 0 "[ ]" 1
460 1 21 LEU HA 1 21 LEU HB2 . . 3.100 2.571 2.571 2.571 . 0 0 "[ ]" 1
461 1 21 LEU HA 1 21 LEU HB3 . . 3.000 2.291 2.291 2.291 . 0 0 "[ ]" 1
462 1 21 LEU HA 1 21 LEU HG . . 3.600 3.646 3.646 3.646 0.046 1 0 "[ ]" 1
463 1 21 LEU HA 1 22 ILE H . . 2.800 2.419 2.419 2.419 . 0 0 "[ ]" 1
464 1 21 LEU HA 1 49 GLY H . . 4.100 2.818 2.818 2.818 . 0 0 "[ ]" 1
465 1 21 LEU HA 1 50 GLY H . . 4.600 2.617 2.617 2.617 . 0 0 "[ ]" 1
466 1 21 LEU HB2 1 22 ILE H . . 3.100 2.322 2.322 2.322 . 0 0 "[ ]" 1
467 1 21 LEU HB2 1 48 ALA HA . . 4.300 3.755 3.755 3.755 . 0 0 "[ ]" 1
468 1 21 LEU HB2 1 49 GLY H . . 4.500 4.295 4.295 4.295 . 0 0 "[ ]" 1
469 1 21 LEU HB2 1 50 GLY H . . 5.000 3.666 3.666 3.666 . 0 0 "[ ]" 1
470 1 21 LEU HB2 1 52 ALA MB . . 5.100 2.505 2.505 2.505 . 0 0 "[ ]" 1
471 1 21 LEU HB3 1 22 ILE H . . 3.600 3.482 3.482 3.482 . 0 0 "[ ]" 1
472 1 21 LEU HB3 1 48 ALA HA . . 4.700 2.131 2.131 2.131 . 0 0 "[ ]" 1
473 1 21 LEU HB3 1 49 GLY H . . 4.700 2.821 2.821 2.821 . 0 0 "[ ]" 1
474 1 21 LEU HB3 1 50 GLY H . . 4.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
475 1 21 LEU MD1 1 22 ILE H . . 5.200 3.460 3.460 3.460 . 0 0 "[ ]" 1
476 1 21 LEU MD1 1 22 ILE HA . . 7.000 3.792 3.792 3.792 . 0 0 "[ ]" 1
477 1 21 LEU MD1 1 23 LEU HB3 . . 6.400 4.696 4.696 4.696 . 0 0 "[ ]" 1
478 1 21 LEU MD1 1 23 LEU MD1 . . 5.800 1.926 1.926 1.926 . 0 0 "[ ]" 1
479 1 21 LEU MD1 1 23 LEU MD2 . . 5.700 2.271 2.271 2.271 . 0 0 "[ ]" 1
480 1 21 LEU MD1 1 23 LEU HG . . 4.800 4.029 4.029 4.029 . 0 0 "[ ]" 1
481 1 21 LEU MD1 1 28 TYR CG . . 7.100 3.702 3.702 3.702 . 0 0 "[ ]" 1
482 1 21 LEU MD1 1 28 TYR CZ . . 9.000 5.405 5.405 5.405 . 0 0 "[ ]" 1
483 1 21 LEU MD1 1 28 TYR H . . 4.900 3.087 3.087 3.087 . 0 0 "[ ]" 1
484 1 21 LEU MD1 1 28 TYR HB2 . . 5.100 2.249 2.249 2.249 . 0 0 "[ ]" 1
485 1 21 LEU MD1 1 28 TYR HB3 . . 5.600 3.445 3.445 3.445 . 0 0 "[ ]" 1
486 1 21 LEU MD1 1 44 LEU HA . . 7.000 5.452 5.452 5.452 . 0 0 "[ ]" 1
487 1 21 LEU MD1 1 48 ALA HA . . 5.600 4.702 4.702 4.702 . 0 0 "[ ]" 1
488 1 21 LEU MD1 1 49 GLY H . . 6.400 5.334 5.334 5.334 . 0 0 "[ ]" 1
489 1 21 LEU MD1 1 50 GLY H . . 6.400 5.337 5.337 5.337 . 0 0 "[ ]" 1
490 1 21 LEU MD1 1 52 ALA H . . 6.100 4.328 4.328 4.328 . 0 0 "[ ]" 1
491 1 21 LEU MD1 1 52 ALA MB . . 5.000 2.666 2.666 2.666 . 0 0 "[ ]" 1
492 1 21 LEU MD2 1 22 ILE H . . 5.300 4.459 4.459 4.459 . 0 0 "[ ]" 1
493 1 21 LEU MD2 1 23 LEU MD1 . . 6.000 3.251 3.251 3.251 . 0 0 "[ ]" 1
494 1 21 LEU MD2 1 23 LEU MD2 . . 8.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
495 1 21 LEU MD2 1 23 LEU HG . . 7.000 5.559 5.559 5.559 . 0 0 "[ ]" 1
496 1 21 LEU MD2 1 28 TYR H . . 6.500 5.382 5.382 5.382 . 0 0 "[ ]" 1
497 1 21 LEU MD2 1 28 TYR HB3 . . 6.200 5.198 5.198 5.198 . 0 0 "[ ]" 1
498 1 21 LEU MD2 1 30 LEU MD1 . . 6.800 2.542 2.542 2.542 . 0 0 "[ ]" 1
499 1 21 LEU MD2 1 44 LEU HA . . 5.700 3.385 3.385 3.385 . 0 0 "[ ]" 1
500 1 21 LEU MD2 1 47 GLN H . . 5.800 4.666 4.666 4.666 . 0 0 "[ ]" 1
501 1 21 LEU MD2 1 47 GLN HA . . 7.000 4.988 4.988 4.988 . 0 0 "[ ]" 1
502 1 21 LEU MD2 1 47 GLN HB2 . . 7.000 3.424 3.424 3.424 . 0 0 "[ ]" 1
503 1 21 LEU MD2 1 47 GLN HB3 . . 5.100 3.291 3.291 3.291 . 0 0 "[ ]" 1
504 1 21 LEU MD2 1 47 GLN HG3 . . 6.500 4.835 4.835 4.835 . 0 0 "[ ]" 1
505 1 21 LEU MD2 1 48 ALA H . . 6.500 3.938 3.938 3.938 . 0 0 "[ ]" 1
506 1 21 LEU MD2 1 48 ALA HA . . 4.800 2.526 2.526 2.526 . 0 0 "[ ]" 1
507 1 21 LEU MD2 1 48 ALA MB . . 8.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
508 1 21 LEU MD2 1 49 GLY H . . 5.300 4.119 4.119 4.119 . 0 0 "[ ]" 1
509 1 21 LEU MD2 1 52 ALA H . . 6.600 4.995 4.995 4.995 . 0 0 "[ ]" 1
510 1 21 LEU MD2 1 52 ALA MB . . 5.100 2.576 2.576 2.576 . 0 0 "[ ]" 1
511 1 21 LEU HG 1 48 ALA HA . . 5.300 3.933 3.933 3.933 . 0 0 "[ ]" 1
512 1 21 LEU HG 1 49 GLY H . . 4.600 4.557 4.557 4.557 . 0 0 "[ ]" 1
513 1 21 LEU HG 1 52 ALA MB . . 5.800 4.589 4.589 4.589 . 0 0 "[ ]" 1
514 1 22 ILE H 1 22 ILE HB . . 3.300 2.471 2.471 2.471 . 0 0 "[ ]" 1
515 1 22 ILE H 1 22 ILE QG . . 3.900 2.901 2.901 2.901 . 0 0 "[ ]" 1
516 1 22 ILE H 1 22 ILE MG . . 4.700 3.793 3.793 3.793 . 0 0 "[ ]" 1
517 1 22 ILE H 1 23 LEU H . . 4.300 4.308 4.308 4.308 0.008 1 0 "[ ]" 1
518 1 22 ILE H 1 23 LEU MD1 . . 6.200 3.560 3.560 3.560 . 0 0 "[ ]" 1
519 1 22 ILE H 1 50 GLY H . . 4.700 3.452 3.452 3.452 . 0 0 "[ ]" 1
520 1 22 ILE H 1 52 ALA H . . 4.600 3.081 3.081 3.081 . 0 0 "[ ]" 1
521 1 22 ILE H 1 52 ALA MB . . 5.300 3.561 3.561 3.561 . 0 0 "[ ]" 1
522 1 22 ILE HA 1 22 ILE QG . . 4.000 2.431 2.431 2.431 . 0 0 "[ ]" 1
523 1 22 ILE HA 1 23 LEU H . . 2.800 2.172 2.172 2.172 . 0 0 "[ ]" 1
524 1 22 ILE HA 1 23 LEU MD1 . . 7.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
525 1 22 ILE HA 1 23 LEU MD2 . . 7.000 5.068 5.068 5.068 . 0 0 "[ ]" 1
526 1 22 ILE HA 1 27 VAL HA . . 3.600 2.596 2.596 2.596 . 0 0 "[ ]" 1
527 1 22 ILE HA 1 27 VAL MG1 . . 6.500 3.673 3.673 3.673 . 0 0 "[ ]" 1
528 1 22 ILE HA 1 27 VAL MG2 . . 4.500 3.408 3.408 3.408 . 0 0 "[ ]" 1
529 1 22 ILE HA 1 28 TYR CG . . 7.200 5.717 5.717 5.717 . 0 0 "[ ]" 1
530 1 22 ILE HA 1 28 TYR CZ . . 7.600 6.590 6.590 6.590 . 0 0 "[ ]" 1
531 1 22 ILE HA 1 28 TYR H . . 4.400 3.831 3.831 3.831 . 0 0 "[ ]" 1
532 1 22 ILE HB 1 23 LEU H . . 5.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
533 1 22 ILE HB 1 51 ASP H . . 4.900 3.865 3.865 3.865 . 0 0 "[ ]" 1
534 1 22 ILE HB 1 51 ASP HA . . 5.400 2.211 2.211 2.211 . 0 0 "[ ]" 1
535 1 22 ILE QG 1 23 LEU H . . 4.700 4.200 4.200 4.200 . 0 0 "[ ]" 1
536 1 22 ILE QG 1 27 VAL H . . 4.500 4.850 4.850 4.850 0.350 1 0 "[ ]" 1
537 1 22 ILE QG 1 27 VAL HA . . 6.000 3.412 3.412 3.412 . 0 0 "[ ]" 1
538 1 22 ILE QG 1 27 VAL MG1 . . 4.800 2.948 2.948 2.948 . 0 0 "[ ]" 1
539 1 22 ILE QG 1 52 ALA H . . 5.300 5.129 5.129 5.129 . 0 0 "[ ]" 1
540 1 22 ILE QG 1 77 LEU MD1 . . 3.500 2.627 2.627 2.627 . 0 0 "[ ]" 1
541 1 22 ILE QG 1 77 LEU MD2 . . 6.200 4.073 4.073 4.073 . 0 0 "[ ]" 1
542 1 22 ILE MG 1 23 LEU H . . 4.000 2.916 2.916 2.916 . 0 0 "[ ]" 1
543 1 22 ILE MG 1 23 LEU HA . . 5.400 3.486 3.486 3.486 . 0 0 "[ ]" 1
544 1 22 ILE MG 1 24 HIS H . . 5.100 3.393 3.393 3.393 . 0 0 "[ ]" 1
545 1 22 ILE MG 1 24 HIS HA . . 5.200 4.274 4.274 4.274 . 0 0 "[ ]" 1
546 1 22 ILE MG 1 25 TYR CG . . 7.200 4.326 4.326 4.326 . 0 0 "[ ]" 1
547 1 22 ILE MG 1 25 TYR H . . 3.900 2.265 2.265 2.265 . 0 0 "[ ]" 1
548 1 22 ILE MG 1 25 TYR HA . . 4.000 2.192 2.192 2.192 . 0 0 "[ ]" 1
549 1 22 ILE MG 1 25 TYR HB2 . . 5.800 4.553 4.553 4.553 . 0 0 "[ ]" 1
550 1 22 ILE MG 1 26 LYS H . . 4.200 2.917 2.917 2.917 . 0 0 "[ ]" 1
551 1 22 ILE MG 1 27 VAL HA . . 6.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
552 1 22 ILE MG 1 28 TYR CG . . 8.800 6.826 6.826 6.826 . 0 0 "[ ]" 1
553 1 22 ILE MG 1 28 TYR CZ . . 9.000 6.876 6.876 6.876 . 0 0 "[ ]" 1
554 1 22 ILE MG 1 77 LEU H . . 5.700 4.474 4.474 4.474 . 0 0 "[ ]" 1
555 1 22 ILE MG 1 77 LEU MD1 . . 5.100 2.978 2.978 2.978 . 0 0 "[ ]" 1
556 1 22 ILE MG 1 77 LEU MD2 . . 5.200 2.959 2.959 2.959 . 0 0 "[ ]" 1
557 1 23 LEU H 1 23 LEU HB2 . . 3.400 2.484 2.484 2.484 . 0 0 "[ ]" 1
558 1 23 LEU H 1 23 LEU HB3 . . 3.600 3.617 3.617 3.617 0.017 1 0 "[ ]" 1
559 1 23 LEU H 1 23 LEU MD1 . . 5.200 3.123 3.123 3.123 . 0 0 "[ ]" 1
560 1 23 LEU H 1 23 LEU MD2 . . 5.100 3.837 3.837 3.837 . 0 0 "[ ]" 1
561 1 23 LEU H 1 23 LEU HG . . 4.700 4.723 4.723 4.723 0.023 1 0 "[ ]" 1
562 1 23 LEU H 1 24 HIS H . . 4.200 4.127 4.127 4.127 . 0 0 "[ ]" 1
563 1 23 LEU H 1 25 TYR H . . 4.500 4.207 4.207 4.207 . 0 0 "[ ]" 1
564 1 23 LEU H 1 26 LYS H . . 3.800 2.976 2.976 2.976 . 0 0 "[ ]" 1
565 1 23 LEU H 1 26 LYS QB . . 5.400 3.745 3.745 3.745 . 0 0 "[ ]" 1
566 1 23 LEU H 1 27 VAL HA . . 4.400 3.656 3.656 3.656 . 0 0 "[ ]" 1
567 1 23 LEU H 1 28 TYR CG . . 6.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
568 1 23 LEU H 1 28 TYR CZ . . 5.800 5.034 5.034 5.034 . 0 0 "[ ]" 1
569 1 23 LEU H 1 28 TYR H . . 4.800 4.458 4.458 4.458 . 0 0 "[ ]" 1
570 1 23 LEU HA 1 23 LEU MD1 . . 3.700 2.084 2.084 2.084 . 0 0 "[ ]" 1
571 1 23 LEU HA 1 23 LEU HG . . 3.900 3.026 3.026 3.026 . 0 0 "[ ]" 1
572 1 23 LEU HA 1 24 HIS H . . 2.900 2.157 2.157 2.157 . 0 0 "[ ]" 1
573 1 23 LEU HA 1 28 TYR CZ . . 7.200 6.679 6.679 6.679 . 0 0 "[ ]" 1
574 1 23 LEU HA 1 52 ALA H . . 4.400 3.769 3.769 3.769 . 0 0 "[ ]" 1
575 1 23 LEU HA 1 53 THR H . . 4.600 3.523 3.523 3.523 . 0 0 "[ ]" 1
576 1 23 LEU HA 1 53 THR HA . . 3.700 2.443 2.443 2.443 . 0 0 "[ ]" 1
577 1 23 LEU HA 1 53 THR MG . . 5.200 3.016 3.016 3.016 . 0 0 "[ ]" 1
578 1 23 LEU HB2 1 24 HIS H . . 4.900 4.479 4.479 4.479 . 0 0 "[ ]" 1
579 1 23 LEU HB2 1 24 HIS HD2 . . 4.400 3.715 3.715 3.715 . 0 0 "[ ]" 1
580 1 23 LEU HB2 1 28 TYR CG . . 6.200 4.126 4.126 4.126 . 0 0 "[ ]" 1
581 1 23 LEU HB2 1 28 TYR CZ . . 5.500 3.800 3.800 3.800 . 0 0 "[ ]" 1
582 1 23 LEU HB2 1 53 THR MG . . 6.000 5.005 5.005 5.005 . 0 0 "[ ]" 1
583 1 23 LEU HB3 1 23 LEU MD1 . . 3.500 3.043 3.043 3.043 . 0 0 "[ ]" 1
584 1 23 LEU HB3 1 24 HIS H . . 4.500 3.623 3.623 3.623 . 0 0 "[ ]" 1
585 1 23 LEU HB3 1 24 HIS HD2 . . 3.900 2.252 2.252 2.252 . 0 0 "[ ]" 1
586 1 23 LEU HB3 1 28 TYR CG . . 6.600 5.719 5.719 5.719 . 0 0 "[ ]" 1
587 1 23 LEU HB3 1 28 TYR CZ . . 5.700 4.826 4.826 4.826 . 0 0 "[ ]" 1
588 1 23 LEU HB3 1 53 THR MG . . 5.000 3.725 3.725 3.725 . 0 0 "[ ]" 1
589 1 23 LEU MD1 1 24 HIS H . . 5.100 3.917 3.917 3.917 . 0 0 "[ ]" 1
590 1 23 LEU MD1 1 24 HIS QB . . 8.000 5.634 5.634 5.634 . 0 0 "[ ]" 1
591 1 23 LEU MD1 1 24 HIS HD2 . . 6.200 4.738 4.738 4.738 . 0 0 "[ ]" 1
592 1 23 LEU MD1 1 28 TYR CG . . 9.000 5.124 5.124 5.124 . 0 0 "[ ]" 1
593 1 23 LEU MD1 1 28 TYR CZ . . 7.700 5.790 5.790 5.790 . 0 0 "[ ]" 1
594 1 23 LEU MD1 1 52 ALA H . . 4.600 2.823 2.823 2.823 . 0 0 "[ ]" 1
595 1 23 LEU MD1 1 52 ALA HA . . 6.700 3.916 3.916 3.916 . 0 0 "[ ]" 1
596 1 23 LEU MD1 1 52 ALA MB . . 4.900 2.044 2.044 2.044 . 0 0 "[ ]" 1
597 1 23 LEU MD1 1 53 THR H . . 5.800 3.169 3.169 3.169 . 0 0 "[ ]" 1
598 1 23 LEU MD1 1 53 THR HA . . 3.900 2.335 2.335 2.335 . 0 0 "[ ]" 1
599 1 23 LEU MD1 1 53 THR MG . . 6.300 3.860 3.860 3.860 . 0 0 "[ ]" 1
600 1 23 LEU MD1 1 54 ALA H . . 7.000 4.900 4.900 4.900 . 0 0 "[ ]" 1
601 1 23 LEU MD1 1 55 ASN H . . 7.000 4.901 4.901 4.901 . 0 0 "[ ]" 1
602 1 23 LEU MD1 1 56 PHE H . . 4.900 3.585 3.585 3.585 . 0 0 "[ ]" 1
603 1 23 LEU MD1 1 57 GLU H . . 6.000 5.015 5.015 5.015 . 0 0 "[ ]" 1
604 1 23 LEU MD2 1 24 HIS HD2 . . 6.000 4.178 4.178 4.178 . 0 0 "[ ]" 1
605 1 23 LEU MD2 1 28 TYR CG . . 7.200 3.482 3.482 3.482 . 0 0 "[ ]" 1
606 1 23 LEU MD2 1 28 TYR CZ . . 6.600 3.950 3.950 3.950 . 0 0 "[ ]" 1
607 1 23 LEU MD2 1 53 THR HA . . 7.000 4.503 4.503 4.503 . 0 0 "[ ]" 1
608 1 23 LEU MD2 1 69 SER QB . . 8.000 3.382 3.382 3.382 . 0 0 "[ ]" 1
609 1 23 LEU HG 1 24 HIS H . . 5.900 4.671 4.671 4.671 . 0 0 "[ ]" 1
610 1 23 LEU HG 1 28 TYR CG . . 6.300 6.400 6.400 6.400 0.100 1 0 "[ ]" 1
611 1 23 LEU HG 1 28 TYR CZ . . 6.200 6.221 6.221 6.221 0.021 1 0 "[ ]" 1
612 1 23 LEU HG 1 52 ALA H . . 6.000 5.370 5.370 5.370 . 0 0 "[ ]" 1
613 1 24 HIS H 1 24 HIS HA . . 2.700 2.255 2.255 2.255 . 0 0 "[ ]" 1
614 1 24 HIS H 1 24 HIS HD2 . . 5.600 3.782 3.782 3.782 . 0 0 "[ ]" 1
615 1 24 HIS H 1 25 TYR H . . 3.500 2.823 2.823 2.823 . 0 0 "[ ]" 1
616 1 24 HIS H 1 26 LYS H . . 4.900 4.155 4.155 4.155 . 0 0 "[ ]" 1
617 1 24 HIS H 1 53 THR H . . 4.800 4.171 4.171 4.171 . 0 0 "[ ]" 1
618 1 24 HIS H 1 53 THR HA . . 3.900 3.242 3.242 3.242 . 0 0 "[ ]" 1
619 1 24 HIS H 1 53 THR HB . . 4.700 3.513 3.513 3.513 . 0 0 "[ ]" 1
620 1 24 HIS H 1 53 THR MG . . 4.000 2.077 2.077 2.077 . 0 0 "[ ]" 1
621 1 24 HIS HA 1 24 HIS HD2 . . 4.300 4.367 4.367 4.367 0.067 1 0 "[ ]" 1
622 1 24 HIS HA 1 25 TYR CG . . 5.400 4.345 4.345 4.345 . 0 0 "[ ]" 1
623 1 24 HIS HA 1 25 TYR H . . 2.800 2.694 2.694 2.694 . 0 0 "[ ]" 1
624 1 24 HIS HA 1 26 LYS H . . 4.600 4.337 4.337 4.337 . 0 0 "[ ]" 1
625 1 24 HIS HA 1 53 THR MG . . 4.700 2.542 2.542 2.542 . 0 0 "[ ]" 1
626 1 24 HIS QB 1 25 TYR CG . . 9.000 5.005 5.005 5.005 . 0 0 "[ ]" 1
627 1 24 HIS QB 1 25 TYR H . . 4.700 3.930 3.930 3.930 . 0 0 "[ ]" 1
628 1 24 HIS QB 1 26 LYS H . . 6.200 3.651 3.651 3.651 . 0 0 "[ ]" 1
629 1 24 HIS QB 1 53 THR MG . . 6.200 3.484 3.484 3.484 . 0 0 "[ ]" 1
630 1 24 HIS HD2 1 53 THR MG . . 5.100 3.404 3.404 3.404 . 0 0 "[ ]" 1
631 1 24 HIS HE1 1 53 THR MG . . 3.800 2.901 2.901 2.901 . 0 0 "[ ]" 1
632 1 25 TYR CG 1 26 LYS QB . . 9.000 6.552 6.552 6.552 . 0 0 "[ ]" 1
633 1 25 TYR CG 1 77 LEU H . . 8.000 5.500 5.500 5.500 . 0 0 "[ ]" 1
634 1 25 TYR CG 1 77 LEU QB . . 8.300 3.969 3.969 3.969 . 0 0 "[ ]" 1
635 1 25 TYR CG 1 77 LEU MD1 . . 7.000 5.685 5.685 5.685 . 0 0 "[ ]" 1
636 1 25 TYR CG 1 77 LEU MD2 . . 5.900 3.271 3.271 3.271 . 0 0 "[ ]" 1
637 1 25 TYR CG 1 82 ARG HA . . 7.600 6.302 6.302 6.302 . 0 0 "[ ]" 1
638 1 25 TYR CG 1 82 ARG HB2 . . 6.600 4.983 4.983 4.983 . 0 0 "[ ]" 1
639 1 25 TYR CG 1 82 ARG HB3 . . 7.300 4.743 4.743 4.743 . 0 0 "[ ]" 1
640 1 25 TYR CZ 1 77 LEU MD1 . . 7.700 6.968 6.968 6.968 . 0 0 "[ ]" 1
641 1 25 TYR CZ 1 77 LEU MD2 . . 6.400 4.448 4.448 4.448 . 0 0 "[ ]" 1
642 1 25 TYR CZ 1 82 ARG HA . . 6.300 5.508 5.508 5.508 . 0 0 "[ ]" 1
643 1 25 TYR CZ 1 82 ARG HB2 . . 6.300 4.314 4.314 4.314 . 0 0 "[ ]" 1
644 1 25 TYR CZ 1 82 ARG HB3 . . 6.500 4.967 4.967 4.967 . 0 0 "[ ]" 1
645 1 25 TYR H 1 25 TYR HA . . 2.500 2.245 2.245 2.245 . 0 0 "[ ]" 1
646 1 25 TYR H 1 25 TYR HB2 . . 3.800 3.748 3.748 3.748 . 0 0 "[ ]" 1
647 1 25 TYR H 1 25 TYR HB3 . . 4.000 4.022 4.022 4.022 0.022 1 0 "[ ]" 1
648 1 25 TYR H 1 26 LYS H . . 3.300 2.872 2.872 2.872 . 0 0 "[ ]" 1
649 1 25 TYR H 1 53 THR MG . . 6.700 4.108 4.108 4.108 . 0 0 "[ ]" 1
650 1 25 TYR H 1 77 LEU MD2 . . 6.300 4.266 4.266 4.266 . 0 0 "[ ]" 1
651 1 25 TYR HA 1 25 TYR HB2 . . 3.100 3.023 3.023 3.023 . 0 0 "[ ]" 1
652 1 25 TYR HA 1 26 LYS H . . 3.800 3.239 3.239 3.239 . 0 0 "[ ]" 1
653 1 25 TYR HA 1 77 LEU H . . 5.200 3.941 3.941 3.941 . 0 0 "[ ]" 1
654 1 25 TYR HA 1 77 LEU MD1 . . 6.200 3.949 3.949 3.949 . 0 0 "[ ]" 1
655 1 25 TYR HB2 1 26 LYS H . . 4.300 3.912 3.912 3.912 . 0 0 "[ ]" 1
656 1 25 TYR HB2 1 77 LEU H . . 5.400 4.339 4.339 4.339 . 0 0 "[ ]" 1
657 1 25 TYR HB2 1 77 LEU QB . . 6.100 3.786 3.786 3.786 . 0 0 "[ ]" 1
658 1 25 TYR HB2 1 77 LEU MD2 . . 6.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
659 1 25 TYR HB3 1 26 LYS H . . 4.600 4.535 4.535 4.535 . 0 0 "[ ]" 1
660 1 25 TYR HB3 1 77 LEU H . . 4.400 3.453 3.453 3.453 . 0 0 "[ ]" 1
661 1 25 TYR HB3 1 77 LEU QB . . 5.600 2.345 2.345 2.345 . 0 0 "[ ]" 1
662 1 25 TYR HB3 1 77 LEU MD1 . . 5.800 4.737 4.737 4.737 . 0 0 "[ ]" 1
663 1 25 TYR HB3 1 77 LEU MD2 . . 5.700 2.663 2.663 2.663 . 0 0 "[ ]" 1
664 1 26 LYS H 1 26 LYS HD2 . . 5.200 4.128 4.128 4.128 . 0 0 "[ ]" 1
665 1 26 LYS H 1 26 LYS HD3 . . 6.000 5.103 5.103 5.103 . 0 0 "[ ]" 1
666 1 26 LYS H 1 26 LYS HG2 . . 5.600 4.059 4.059 4.059 . 0 0 "[ ]" 1
667 1 26 LYS H 1 26 LYS HG3 . . 3.900 2.879 2.879 2.879 . 0 0 "[ ]" 1
668 1 26 LYS H 1 28 TYR CG . . 7.600 6.476 6.476 6.476 . 0 0 "[ ]" 1
669 1 26 LYS H 1 28 TYR CZ . . 6.500 5.490 5.490 5.490 . 0 0 "[ ]" 1
670 1 26 LYS QB 1 27 VAL H . . 4.600 3.157 3.157 3.157 . 0 0 "[ ]" 1
671 1 26 LYS QB 1 28 TYR CZ . . 7.100 3.075 3.075 3.075 . 0 0 "[ ]" 1
672 1 26 LYS QB 1 76 GLU HA . . 5.400 4.047 4.047 4.047 . 0 0 "[ ]" 1
673 1 26 LYS HD2 1 28 TYR CZ . . 7.800 4.559 4.559 4.559 . 0 0 "[ ]" 1
674 1 26 LYS HD2 1 73 ILE MD . . 5.200 3.808 3.808 3.808 . 0 0 "[ ]" 1
675 1 26 LYS HD3 1 26 LYS HG2 . . 3.000 2.471 2.471 2.471 . 0 0 "[ ]" 1
676 1 26 LYS HD3 1 26 LYS HG3 . . 2.800 3.046 3.046 3.046 0.246 1 0 "[ ]" 1
677 1 26 LYS HD3 1 28 TYR CZ . . 6.300 4.554 4.554 4.554 . 0 0 "[ ]" 1
678 1 26 LYS HD3 1 73 ILE MD . . 4.000 2.448 2.448 2.448 . 0 0 "[ ]" 1
679 1 26 LYS HG2 1 76 GLU HA . . 4.300 3.654 3.654 3.654 . 0 0 "[ ]" 1
680 1 26 LYS HG2 1 76 GLU QG . . 6.100 2.095 2.095 2.095 . 0 0 "[ ]" 1
681 1 26 LYS HG3 1 28 TYR CZ . . 7.700 5.841 5.841 5.841 . 0 0 "[ ]" 1
682 1 27 VAL H 1 27 VAL HB . . 3.200 2.668 2.668 2.668 . 0 0 "[ ]" 1
683 1 27 VAL H 1 27 VAL MG1 . . 4.800 3.820 3.820 3.820 . 0 0 "[ ]" 1
684 1 27 VAL H 1 27 VAL MG2 . . 4.000 2.153 2.153 2.153 . 0 0 "[ ]" 1
685 1 27 VAL H 1 28 TYR CG . . 8.000 5.492 5.492 5.492 . 0 0 "[ ]" 1
686 1 27 VAL H 1 28 TYR CZ . . 8.000 5.649 5.649 5.649 . 0 0 "[ ]" 1
687 1 27 VAL H 1 73 ILE QG . . 3.900 3.632 3.632 3.632 . 0 0 "[ ]" 1
688 1 27 VAL H 1 74 ILE H . . 4.500 4.454 4.454 4.454 . 0 0 "[ ]" 1
689 1 27 VAL H 1 74 ILE MD . . 6.100 5.096 5.096 5.096 . 0 0 "[ ]" 1
690 1 27 VAL H 1 74 ILE HG13 . . 5.800 4.277 4.277 4.277 . 0 0 "[ ]" 1
691 1 27 VAL H 1 75 GLY H . . 4.300 3.390 3.390 3.390 . 0 0 "[ ]" 1
692 1 27 VAL H 1 76 GLU H . . 4.300 4.348 4.348 4.348 0.048 1 0 "[ ]" 1
693 1 27 VAL H 1 76 GLU HA . . 3.600 2.473 2.473 2.473 . 0 0 "[ ]" 1
694 1 27 VAL H 1 77 LEU H . . 4.500 4.191 4.191 4.191 . 0 0 "[ ]" 1
695 1 27 VAL HA 1 28 TYR CG . . 6.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
696 1 27 VAL HA 1 28 TYR CZ . . 6.400 5.881 5.881 5.881 . 0 0 "[ ]" 1
697 1 27 VAL HA 1 28 TYR H . . 2.600 2.164 2.164 2.164 . 0 0 "[ ]" 1
698 1 27 VAL HA 1 74 ILE H . . 6.000 5.264 5.264 5.264 . 0 0 "[ ]" 1
699 1 27 VAL HA 1 75 GLY H . . 5.700 5.158 5.158 5.158 . 0 0 "[ ]" 1
700 1 27 VAL HB 1 74 ILE H . . 5.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
701 1 27 VAL HB 1 74 ILE MD . . 7.000 2.909 2.909 2.909 . 0 0 "[ ]" 1
702 1 27 VAL HB 1 74 ILE HG13 . . 4.600 2.293 2.293 2.293 . 0 0 "[ ]" 1
703 1 27 VAL HB 1 75 GLY H . . 4.400 3.061 3.061 3.061 . 0 0 "[ ]" 1
704 1 27 VAL HB 1 76 GLU H . . 5.300 4.579 4.579 4.579 . 0 0 "[ ]" 1
705 1 27 VAL HB 1 76 GLU HA . . 4.600 4.238 4.238 4.238 . 0 0 "[ ]" 1
706 1 27 VAL MG1 1 28 TYR H . . 4.300 2.493 2.493 2.493 . 0 0 "[ ]" 1
707 1 27 VAL MG1 1 28 TYR HA . . 5.100 4.032 4.032 4.032 . 0 0 "[ ]" 1
708 1 27 VAL MG1 1 28 TYR HB2 . . 5.800 4.589 4.589 4.589 . 0 0 "[ ]" 1
709 1 27 VAL MG1 1 29 ASP H . . 7.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
710 1 27 VAL MG1 1 29 ASP HB2 . . 6.500 4.660 4.660 4.660 . 0 0 "[ ]" 1
711 1 27 VAL MG1 1 73 ILE HA . . 7.000 5.584 5.584 5.584 . 0 0 "[ ]" 1
712 1 27 VAL MG1 1 74 ILE H . . 6.200 4.439 4.439 4.439 . 0 0 "[ ]" 1
713 1 27 VAL MG1 1 74 ILE MD . . 4.800 2.004 2.004 2.004 . 0 0 "[ ]" 1
714 1 27 VAL MG1 1 74 ILE HG12 . . 4.200 3.169 3.169 3.169 . 0 0 "[ ]" 1
715 1 27 VAL MG1 1 74 ILE HG13 . . 3.700 3.085 3.085 3.085 . 0 0 "[ ]" 1
716 1 27 VAL MG1 1 75 GLY H . . 6.200 4.456 4.456 4.456 . 0 0 "[ ]" 1
717 1 27 VAL MG1 1 76 GLU H . . 7.000 5.641 5.641 5.641 . 0 0 "[ ]" 1
718 1 27 VAL MG1 1 76 GLU HA . . 7.000 5.181 5.181 5.181 . 0 0 "[ ]" 1
719 1 27 VAL MG2 1 28 TYR CG . . 8.100 6.150 6.150 6.150 . 0 0 "[ ]" 1
720 1 27 VAL MG2 1 74 ILE H . . 7.000 5.120 5.120 5.120 . 0 0 "[ ]" 1
721 1 27 VAL MG2 1 74 ILE MD . . 7.700 3.795 3.795 3.795 . 0 0 "[ ]" 1
722 1 27 VAL MG2 1 74 ILE HG12 . . 5.500 4.860 4.860 4.860 . 0 0 "[ ]" 1
723 1 27 VAL MG2 1 74 ILE HG13 . . 5.800 3.933 3.933 3.933 . 0 0 "[ ]" 1
724 1 27 VAL MG2 1 75 GLY H . . 6.200 4.106 4.106 4.106 . 0 0 "[ ]" 1
725 1 27 VAL MG2 1 76 GLU H . . 5.100 3.618 3.618 3.618 . 0 0 "[ ]" 1
726 1 27 VAL MG2 1 76 GLU HA . . 4.200 2.488 2.488 2.488 . 0 0 "[ ]" 1
727 1 27 VAL MG2 1 77 LEU H . . 4.500 3.169 3.169 3.169 . 0 0 "[ ]" 1
728 1 27 VAL MG2 1 77 LEU HA . . 5.500 2.881 2.881 2.881 . 0 0 "[ ]" 1
729 1 27 VAL MG2 1 78 HIS H . . 5.800 4.348 4.348 4.348 . 0 0 "[ ]" 1
730 1 28 TYR CG 1 29 ASP H . . 7.700 4.727 4.727 4.727 . 0 0 "[ ]" 1
731 1 28 TYR CG 1 30 LEU MD1 . . 6.700 3.730 3.730 3.730 . 0 0 "[ ]" 1
732 1 28 TYR CG 1 69 SER HA . . 7.300 4.825 4.825 4.825 . 0 0 "[ ]" 1
733 1 28 TYR CG 1 69 SER QB . . 8.900 3.696 3.696 3.696 . 0 0 "[ ]" 1
734 1 28 TYR CG 1 72 PHE CG . . 8.600 6.459 6.459 6.459 . 0 0 "[ ]" 1
735 1 28 TYR CG 1 72 PHE H . . 7.100 5.805 5.805 5.805 . 0 0 "[ ]" 1
736 1 28 TYR CG 1 72 PHE QB . . 7.200 4.130 4.130 4.130 . 0 0 "[ ]" 1
737 1 28 TYR CG 1 73 ILE H . . 6.500 5.496 5.496 5.496 . 0 0 "[ ]" 1
738 1 28 TYR CG 1 73 ILE HA . . 7.000 3.743 3.743 3.743 . 0 0 "[ ]" 1
739 1 28 TYR CG 1 73 ILE HB . . 8.000 5.243 5.243 5.243 . 0 0 "[ ]" 1
740 1 28 TYR CG 1 73 ILE MD . . 8.100 5.219 5.219 5.219 . 0 0 "[ ]" 1
741 1 28 TYR CG 1 73 ILE QG . . 6.800 3.824 3.824 3.824 . 0 0 "[ ]" 1
742 1 28 TYR CG 1 73 ILE MG . . 7.700 6.055 6.055 6.055 . 0 0 "[ ]" 1
743 1 28 TYR CG 1 74 ILE H . . 8.000 4.979 4.979 4.979 . 0 0 "[ ]" 1
744 1 28 TYR CZ 1 28 TYR H . . 6.200 5.610 5.610 5.610 . 0 0 "[ ]" 1
745 1 28 TYR CZ 1 30 LEU MD1 . . 9.000 5.838 5.838 5.838 . 0 0 "[ ]" 1
746 1 28 TYR CZ 1 69 SER HA . . 6.300 5.024 5.024 5.024 . 0 0 "[ ]" 1
747 1 28 TYR CZ 1 69 SER QB . . 7.600 3.204 3.204 3.204 . 0 0 "[ ]" 1
748 1 28 TYR CZ 1 72 PHE CG . . 10.000 7.990 7.990 7.990 . 0 0 "[ ]" 1
749 1 28 TYR CZ 1 72 PHE H . . 8.000 6.160 6.160 6.160 . 0 0 "[ ]" 1
750 1 28 TYR CZ 1 72 PHE QB . . 9.000 5.503 5.503 5.503 . 0 0 "[ ]" 1
751 1 28 TYR CZ 1 73 ILE H . . 8.000 5.659 5.659 5.659 . 0 0 "[ ]" 1
752 1 28 TYR CZ 1 73 ILE HA . . 6.800 4.388 4.388 4.388 . 0 0 "[ ]" 1
753 1 28 TYR CZ 1 73 ILE HB . . 7.800 4.454 4.454 4.454 . 0 0 "[ ]" 1
754 1 28 TYR CZ 1 73 ILE MD . . 7.200 3.800 3.800 3.800 . 0 0 "[ ]" 1
755 1 28 TYR CZ 1 73 ILE QG . . 6.100 3.024 3.024 3.024 . 0 0 "[ ]" 1
756 1 28 TYR CZ 1 73 ILE MG . . 8.000 5.547 5.547 5.547 . 0 0 "[ ]" 1
757 1 28 TYR H 1 28 TYR HB2 . . 3.100 2.500 2.500 2.500 . 0 0 "[ ]" 1
758 1 28 TYR H 1 28 TYR HB3 . . 3.800 3.697 3.697 3.697 . 0 0 "[ ]" 1
759 1 28 TYR H 1 29 ASP H . . 4.400 4.317 4.317 4.317 . 0 0 "[ ]" 1
760 1 28 TYR H 1 30 LEU MD1 . . 5.500 4.392 4.392 4.392 . 0 0 "[ ]" 1
761 1 28 TYR H 1 73 ILE HA . . 5.400 5.167 5.167 5.167 . 0 0 "[ ]" 1
762 1 28 TYR H 1 74 ILE MD . . 5.800 4.138 4.138 4.138 . 0 0 "[ ]" 1
763 1 28 TYR H 1 74 ILE HG12 . . 4.400 4.085 4.085 4.085 . 0 0 "[ ]" 1
764 1 28 TYR HA 1 28 TYR HB3 . . 3.000 2.506 2.506 2.506 . 0 0 "[ ]" 1
765 1 28 TYR HA 1 29 ASP H . . 2.700 2.204 2.204 2.204 . 0 0 "[ ]" 1
766 1 28 TYR HA 1 30 LEU MD1 . . 5.300 4.350 4.350 4.350 . 0 0 "[ ]" 1
767 1 28 TYR HA 1 30 LEU MD2 . . 6.600 4.879 4.879 4.879 . 0 0 "[ ]" 1
768 1 28 TYR HA 1 72 PHE QB . . 7.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
769 1 28 TYR HA 1 73 ILE HA . . 3.500 2.760 2.760 2.760 . 0 0 "[ ]" 1
770 1 28 TYR HA 1 74 ILE H . . 3.700 2.997 2.997 2.997 . 0 0 "[ ]" 1
771 1 28 TYR HA 1 74 ILE MD . . 6.800 4.121 4.121 4.121 . 0 0 "[ ]" 1
772 1 28 TYR HA 1 74 ILE HG12 . . 3.900 2.820 2.820 2.820 . 0 0 "[ ]" 1
773 1 28 TYR HB2 1 29 ASP H . . 4.600 4.378 4.378 4.378 . 0 0 "[ ]" 1
774 1 28 TYR HB2 1 30 LEU MD1 . . 4.600 2.465 2.465 2.465 . 0 0 "[ ]" 1
775 1 28 TYR HB2 1 30 LEU MD2 . . 5.900 4.141 4.141 4.141 . 0 0 "[ ]" 1
776 1 28 TYR HB2 1 73 ILE HA . . 6.000 5.230 5.230 5.230 . 0 0 "[ ]" 1
777 1 28 TYR HB3 1 29 ASP H . . 3.900 3.559 3.559 3.559 . 0 0 "[ ]" 1
778 1 28 TYR HB3 1 30 LEU MD1 . . 4.800 2.313 2.313 2.313 . 0 0 "[ ]" 1
779 1 28 TYR HB3 1 73 ILE HA . . 5.100 4.462 4.462 4.462 . 0 0 "[ ]" 1
780 1 29 ASP H 1 29 ASP HB2 . . 3.500 2.886 2.886 2.886 . 0 0 "[ ]" 1
781 1 29 ASP H 1 29 ASP HB3 . . 3.300 2.610 2.610 2.610 . 0 0 "[ ]" 1
782 1 29 ASP H 1 30 LEU H . . 5.000 4.327 4.327 4.327 . 0 0 "[ ]" 1
783 1 29 ASP H 1 30 LEU MD1 . . 4.800 4.608 4.608 4.608 . 0 0 "[ ]" 1
784 1 29 ASP H 1 72 PHE QB . . 5.900 3.288 3.288 3.288 . 0 0 "[ ]" 1
785 1 29 ASP H 1 73 ILE HA . . 4.300 4.161 4.161 4.161 . 0 0 "[ ]" 1
786 1 29 ASP H 1 74 ILE H . . 4.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
787 1 29 ASP H 1 74 ILE MD . . 4.900 3.406 3.406 3.406 . 0 0 "[ ]" 1
788 1 29 ASP H 1 74 ILE HG13 . . 4.700 4.429 4.429 4.429 . 0 0 "[ ]" 1
789 1 29 ASP H 1 74 ILE MG . . 4.300 2.492 2.492 2.492 . 0 0 "[ ]" 1
790 1 29 ASP HA 1 30 LEU H . . 2.700 2.204 2.204 2.204 . 0 0 "[ ]" 1
791 1 29 ASP HA 1 30 LEU MD1 . . 6.100 4.005 4.005 4.005 . 0 0 "[ ]" 1
792 1 29 ASP HA 1 30 LEU MD2 . . 6.900 5.372 5.372 5.372 . 0 0 "[ ]" 1
793 1 29 ASP HA 1 30 LEU HG . . 5.300 4.020 4.020 4.020 . 0 0 "[ ]" 1
794 1 29 ASP HA 1 74 ILE MD . . 5.500 3.884 3.884 3.884 . 0 0 "[ ]" 1
795 1 29 ASP HA 1 74 ILE MG . . 5.200 4.305 4.305 4.305 . 0 0 "[ ]" 1
796 1 29 ASP HB2 1 30 LEU H . . 4.600 4.454 4.454 4.454 . 0 0 "[ ]" 1
797 1 29 ASP HB2 1 74 ILE MD . . 4.100 2.306 2.306 2.306 . 0 0 "[ ]" 1
798 1 29 ASP HB2 1 74 ILE HG12 . . 4.600 3.640 3.640 3.640 . 0 0 "[ ]" 1
799 1 29 ASP HB3 1 30 LEU H . . 4.600 4.314 4.314 4.314 . 0 0 "[ ]" 1
800 1 29 ASP HB3 1 74 ILE MD . . 4.400 3.562 3.562 3.562 . 0 0 "[ ]" 1
801 1 29 ASP HB3 1 74 ILE MG . . 4.100 2.523 2.523 2.523 . 0 0 "[ ]" 1
802 1 30 LEU H 1 30 LEU HA . . 2.900 2.982 2.982 2.982 0.082 1 0 "[ ]" 1
803 1 30 LEU H 1 30 LEU HB2 . . 3.300 2.711 2.711 2.711 . 0 0 "[ ]" 1
804 1 30 LEU H 1 30 LEU HB3 . . 4.100 3.810 3.810 3.810 . 0 0 "[ ]" 1
805 1 30 LEU H 1 30 LEU MD1 . . 4.700 2.923 2.923 2.923 . 0 0 "[ ]" 1
806 1 30 LEU H 1 30 LEU MD2 . . 5.100 4.278 4.278 4.278 . 0 0 "[ ]" 1
807 1 30 LEU H 1 30 LEU HG . . 4.100 3.015 3.015 3.015 . 0 0 "[ ]" 1
808 1 30 LEU H 1 31 THR H . . 3.000 2.385 2.385 2.385 . 0 0 "[ ]" 1
809 1 30 LEU HA 1 30 LEU HB3 . . 3.000 2.419 2.419 2.419 . 0 0 "[ ]" 1
810 1 30 LEU HA 1 30 LEU MD1 . . 3.600 3.867 3.867 3.867 0.267 1 0 "[ ]" 1
811 1 30 LEU HA 1 30 LEU HG . . 4.000 2.733 2.733 2.733 . 0 0 "[ ]" 1
812 1 30 LEU HA 1 31 THR H . . 3.800 3.016 3.016 3.016 . 0 0 "[ ]" 1
813 1 30 LEU HA 1 32 LYS H . . 4.600 3.779 3.779 3.779 . 0 0 "[ ]" 1
814 1 30 LEU HA 1 33 PHE CG . . 7.200 4.674 4.674 4.674 . 0 0 "[ ]" 1
815 1 30 LEU HA 1 33 PHE H . . 4.100 3.563 3.563 3.563 . 0 0 "[ ]" 1
816 1 30 LEU HA 1 33 PHE HB2 . . 4.300 2.948 2.948 2.948 . 0 0 "[ ]" 1
817 1 30 LEU HA 1 33 PHE HB3 . . 4.100 3.332 3.332 3.332 . 0 0 "[ ]" 1
818 1 30 LEU HB2 1 31 THR H . . 4.000 4.034 4.034 4.034 0.034 1 0 "[ ]" 1
819 1 30 LEU HB2 1 33 PHE CG . . 6.800 5.384 5.384 5.384 . 0 0 "[ ]" 1
820 1 30 LEU HB2 1 33 PHE HB2 . . 4.400 4.501 4.501 4.501 0.101 1 0 "[ ]" 1
821 1 30 LEU HB2 1 33 PHE HB3 . . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
822 1 30 LEU HB2 1 34 LEU HG . . 4.700 4.711 4.711 4.711 0.011 1 0 "[ ]" 1
823 1 30 LEU HB3 1 31 THR H . . 4.600 4.571 4.571 4.571 . 0 0 "[ ]" 1
824 1 30 LEU HB3 1 33 PHE CG . . 6.800 3.733 3.733 3.733 . 0 0 "[ ]" 1
825 1 30 LEU HB3 1 33 PHE HB2 . . 4.000 3.045 3.045 3.045 . 0 0 "[ ]" 1
826 1 30 LEU HB3 1 33 PHE HB3 . . 3.000 2.131 2.131 2.131 . 0 0 "[ ]" 1
827 1 30 LEU MD1 1 31 THR H . . 6.000 4.861 4.861 4.861 . 0 0 "[ ]" 1
828 1 30 LEU MD1 1 33 PHE CG . . 6.800 5.729 5.729 5.729 . 0 0 "[ ]" 1
829 1 30 LEU MD1 1 33 PHE CZ . . 8.700 6.978 6.978 6.978 . 0 0 "[ ]" 1
830 1 30 LEU MD1 1 33 PHE HB2 . . 5.000 5.367 5.367 5.367 0.367 1 0 "[ ]" 1
831 1 30 LEU MD1 1 33 PHE HB3 . . 5.500 4.600 4.600 4.600 . 0 0 "[ ]" 1
832 1 30 LEU MD1 1 72 PHE CG . . 6.700 5.108 5.108 5.108 . 0 0 "[ ]" 1
833 1 30 LEU MD1 1 72 PHE CZ . . 7.700 6.254 6.254 6.254 . 0 0 "[ ]" 1
834 1 30 LEU MD1 1 72 PHE QB . . 6.200 3.825 3.825 3.825 . 0 0 "[ ]" 1
835 1 30 LEU MD1 1 72 PHE HZ . . 7.000 6.843 6.843 6.843 . 0 0 "[ ]" 1
836 1 30 LEU MD2 1 33 PHE CG . . 7.400 3.657 3.657 3.657 . 0 0 "[ ]" 1
837 1 30 LEU MD2 1 33 PHE CZ . . 7.700 4.711 4.711 4.711 . 0 0 "[ ]" 1
838 1 30 LEU MD2 1 72 PHE CG . . 9.000 2.752 2.752 2.752 . 0 0 "[ ]" 1
839 1 30 LEU HG 1 31 THR H . . 5.200 4.696 4.696 4.696 . 0 0 "[ ]" 1
840 1 31 THR H 1 31 THR HB . . 3.600 2.183 2.183 2.183 . 0 0 "[ ]" 1
841 1 31 THR H 1 31 THR MG . . 4.800 2.636 2.636 2.636 . 0 0 "[ ]" 1
842 1 31 THR H 1 32 LYS H . . 3.700 2.755 2.755 2.755 . 0 0 "[ ]" 1
843 1 31 THR H 1 33 PHE H . . 4.300 3.952 3.952 3.952 . 0 0 "[ ]" 1
844 1 31 THR HA 1 31 THR HB . . 3.000 2.610 2.610 2.610 . 0 0 "[ ]" 1
845 1 31 THR HA 1 32 LYS H . . 4.900 3.520 3.520 3.520 . 0 0 "[ ]" 1
846 1 31 THR HA 1 32 LYS HA . . 4.800 4.686 4.686 4.686 . 0 0 "[ ]" 1
847 1 31 THR HA 1 33 PHE H . . 4.500 3.626 3.626 3.626 . 0 0 "[ ]" 1
848 1 31 THR HA 1 34 LEU H . . 4.800 3.798 3.798 3.798 . 0 0 "[ ]" 1
849 1 31 THR HA 1 34 LEU MD1 . . 4.100 2.893 2.893 2.893 . 0 0 "[ ]" 1
850 1 31 THR HA 1 34 LEU MD2 . . 4.800 3.361 3.361 3.361 . 0 0 "[ ]" 1
851 1 31 THR HA 1 34 LEU HG . . 3.800 2.449 2.449 2.449 . 0 0 "[ ]" 1
852 1 31 THR HB 1 32 LYS H . . 3.800 3.789 3.789 3.789 . 0 0 "[ ]" 1
853 1 31 THR MG 1 32 LYS H . . 5.100 2.292 2.292 2.292 . 0 0 "[ ]" 1
854 1 31 THR MG 1 32 LYS HA . . 5.500 3.350 3.350 3.350 . 0 0 "[ ]" 1
855 1 31 THR MG 1 34 LEU HG . . 7.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
856 1 32 LYS H 1 32 LYS HB2 . . 3.300 2.282 2.282 2.282 . 0 0 "[ ]" 1
857 1 32 LYS H 1 32 LYS HB3 . . 4.200 2.925 2.925 2.925 . 0 0 "[ ]" 1
858 1 32 LYS H 1 32 LYS QD . . 5.400 4.356 4.356 4.356 . 0 0 "[ ]" 1
859 1 32 LYS H 1 32 LYS HG2 . . 4.300 4.579 4.579 4.579 0.279 1 0 "[ ]" 1
860 1 32 LYS H 1 32 LYS HG3 . . 4.700 4.157 4.157 4.157 . 0 0 "[ ]" 1
861 1 32 LYS H 1 33 PHE H . . 3.200 2.540 2.540 2.540 . 0 0 "[ ]" 1
862 1 32 LYS H 1 33 PHE HB2 . . 4.800 4.136 4.136 4.136 . 0 0 "[ ]" 1
863 1 32 LYS H 1 33 PHE HB3 . . 4.400 4.830 4.830 4.830 0.430 1 0 "[ ]" 1
864 1 32 LYS H 1 34 LEU H . . 4.700 4.275 4.275 4.275 . 0 0 "[ ]" 1
865 1 32 LYS HA 1 32 LYS HB2 . . 3.000 2.717 2.717 2.717 . 0 0 "[ ]" 1
866 1 32 LYS HA 1 32 LYS QD . . 4.600 3.923 3.923 3.923 . 0 0 "[ ]" 1
867 1 32 LYS HA 1 32 LYS HG2 . . 3.500 2.643 2.643 2.643 . 0 0 "[ ]" 1
868 1 32 LYS HA 1 32 LYS HG3 . . 3.400 2.324 2.324 2.324 . 0 0 "[ ]" 1
869 1 32 LYS HA 1 33 PHE H . . 3.700 3.329 3.329 3.329 . 0 0 "[ ]" 1
870 1 32 LYS HA 1 34 LEU H . . 4.500 3.737 3.737 3.737 . 0 0 "[ ]" 1
871 1 32 LYS HB2 1 32 LYS QD . . 3.900 2.329 2.329 2.329 . 0 0 "[ ]" 1
872 1 32 LYS HB2 1 32 LYS HG2 . . 2.600 3.040 3.040 3.040 0.440 1 0 "[ ]" 1
873 1 32 LYS HB2 1 33 PHE H . . 4.300 4.152 4.152 4.152 . 0 0 "[ ]" 1
874 1 32 LYS HB2 1 72 PHE CZ . . 7.200 6.722 6.722 6.722 . 0 0 "[ ]" 1
875 1 32 LYS HB3 1 32 LYS QE . . 4.900 4.064 4.064 4.064 . 0 0 "[ ]" 1
876 1 32 LYS HB3 1 32 LYS HG2 . . 2.500 2.508 2.508 2.508 0.008 1 0 "[ ]" 1
877 1 33 PHE CG 1 34 LEU H . . 8.000 4.957 4.957 4.957 . 0 0 "[ ]" 1
878 1 33 PHE CG 1 34 LEU MD2 . . 9.000 6.318 6.318 6.318 . 0 0 "[ ]" 1
879 1 33 PHE CG 1 36 GLU H . . 7.600 4.962 4.962 4.962 . 0 0 "[ ]" 1
880 1 33 PHE CG 1 36 GLU HB2 . . 6.000 3.062 3.062 3.062 . 0 0 "[ ]" 1
881 1 33 PHE CG 1 36 GLU HB3 . . 6.300 4.129 4.129 4.129 . 0 0 "[ ]" 1
882 1 33 PHE CG 1 37 HIS H . . 8.000 4.063 4.063 4.063 . 0 0 "[ ]" 1
883 1 33 PHE CG 1 72 PHE CG . . 9.700 5.396 5.396 5.396 . 0 0 "[ ]" 1
884 1 33 PHE CG 1 72 PHE CZ . . 8.600 3.495 3.495 3.495 . 0 0 "[ ]" 1
885 1 33 PHE CG 1 72 PHE HZ . . 5.800 3.147 3.147 3.147 . 0 0 "[ ]" 1
886 1 33 PHE H 1 33 PHE HB2 . . 3.100 2.538 2.538 2.538 . 0 0 "[ ]" 1
887 1 33 PHE H 1 33 PHE HB3 . . 3.200 2.659 2.659 2.659 . 0 0 "[ ]" 1
888 1 33 PHE H 1 34 LEU H . . 2.800 2.238 2.238 2.238 . 0 0 "[ ]" 1
889 1 33 PHE H 1 34 LEU HB2 . . 4.300 4.513 4.513 4.513 0.213 1 0 "[ ]" 1
890 1 33 PHE H 1 34 LEU MD1 . . 7.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
891 1 33 PHE H 1 34 LEU MD2 . . 7.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
892 1 33 PHE H 1 34 LEU HG . . 3.500 3.529 3.529 3.529 0.029 1 0 "[ ]" 1
893 1 33 PHE HA 1 33 PHE HB2 . . 2.800 2.690 2.690 2.690 . 0 0 "[ ]" 1
894 1 33 PHE HA 1 33 PHE HB3 . . 3.000 2.989 2.989 2.989 . 0 0 "[ ]" 1
895 1 33 PHE HA 1 34 LEU H . . 4.200 3.401 3.401 3.401 . 0 0 "[ ]" 1
896 1 33 PHE HA 1 35 GLU H . . 5.300 4.555 4.555 4.555 . 0 0 "[ ]" 1
897 1 33 PHE HA 1 36 GLU H . . 3.500 3.243 3.243 3.243 . 0 0 "[ ]" 1
898 1 33 PHE HA 1 36 GLU HB2 . . 3.300 2.211 2.211 2.211 . 0 0 "[ ]" 1
899 1 33 PHE HA 1 36 GLU HB3 . . 3.600 3.702 3.702 3.702 0.102 1 0 "[ ]" 1
900 1 33 PHE HA 1 36 GLU HG3 . . 3.700 2.661 2.661 2.661 . 0 0 "[ ]" 1
901 1 33 PHE HA 1 37 HIS H . . 5.900 3.930 3.930 3.930 . 0 0 "[ ]" 1
902 1 33 PHE HA 1 72 PHE CZ . . 8.000 4.881 4.881 4.881 . 0 0 "[ ]" 1
903 1 33 PHE HA 1 72 PHE HZ . . 5.600 4.206 4.206 4.206 . 0 0 "[ ]" 1
904 1 33 PHE HB2 1 34 LEU H . . 4.200 4.220 4.220 4.220 0.020 1 0 "[ ]" 1
905 1 33 PHE HB2 1 72 PHE CG . . 8.000 4.615 4.615 4.615 . 0 0 "[ ]" 1
906 1 33 PHE HB2 1 72 PHE CZ . . 6.500 3.015 3.015 3.015 . 0 0 "[ ]" 1
907 1 33 PHE HB2 1 72 PHE HZ . . 3.900 2.928 2.928 2.928 . 0 0 "[ ]" 1
908 1 33 PHE HB3 1 34 LEU H . . 4.300 3.539 3.539 3.539 . 0 0 "[ ]" 1
909 1 33 PHE HB3 1 72 PHE CG . . 7.600 5.538 5.538 5.538 . 0 0 "[ ]" 1
910 1 33 PHE HB3 1 72 PHE CZ . . 7.000 4.386 4.386 4.386 . 0 0 "[ ]" 1
911 1 33 PHE HB3 1 72 PHE HZ . . 4.300 4.361 4.361 4.361 0.061 1 0 "[ ]" 1
912 1 33 PHE HZ 1 36 GLU HB2 . . 4.900 4.722 4.722 4.722 . 0 0 "[ ]" 1
913 1 34 LEU H 1 34 LEU HB2 . . 2.900 2.377 2.377 2.377 . 0 0 "[ ]" 1
914 1 34 LEU H 1 34 LEU HB3 . . 3.700 3.541 3.541 3.541 . 0 0 "[ ]" 1
915 1 34 LEU H 1 34 LEU MD1 . . 4.100 3.417 3.417 3.417 . 0 0 "[ ]" 1
916 1 34 LEU H 1 34 LEU MD2 . . 4.200 3.521 3.521 3.521 . 0 0 "[ ]" 1
917 1 34 LEU H 1 34 LEU HG . . 3.000 2.243 2.243 2.243 . 0 0 "[ ]" 1
918 1 34 LEU H 1 35 GLU H . . 3.300 3.149 3.149 3.149 . 0 0 "[ ]" 1
919 1 34 LEU H 1 36 GLU H . . 4.600 4.122 4.122 4.122 . 0 0 "[ ]" 1
920 1 34 LEU HA 1 37 HIS H . . 4.200 3.840 3.840 3.840 . 0 0 "[ ]" 1
921 1 34 LEU HB2 1 34 LEU MD1 . . 3.600 2.230 2.230 2.230 . 0 0 "[ ]" 1
922 1 34 LEU HB2 1 35 GLU H . . 3.300 2.324 2.324 2.324 . 0 0 "[ ]" 1
923 1 34 LEU HB2 1 41 GLU HA . . 5.100 4.776 4.776 4.776 . 0 0 "[ ]" 1
924 1 34 LEU HB2 1 41 GLU HB2 . . 3.900 3.829 3.829 3.829 . 0 0 "[ ]" 1
925 1 34 LEU HB3 1 34 LEU MD1 . . 3.500 2.414 2.414 2.414 . 0 0 "[ ]" 1
926 1 34 LEU HB3 1 34 LEU MD2 . . 3.500 2.341 2.341 2.341 . 0 0 "[ ]" 1
927 1 34 LEU HB3 1 35 GLU H . . 3.300 3.077 3.077 3.077 . 0 0 "[ ]" 1
928 1 34 LEU HB3 1 41 GLU HA . . 5.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
929 1 34 LEU HB3 1 41 GLU HB2 . . 4.500 2.134 2.134 2.134 . 0 0 "[ ]" 1
930 1 34 LEU HB3 1 41 GLU HB3 . . 4.000 2.477 2.477 2.477 . 0 0 "[ ]" 1
931 1 34 LEU MD1 1 35 GLU H . . 5.000 4.183 4.183 4.183 . 0 0 "[ ]" 1
932 1 34 LEU MD1 1 41 GLU HA . . 7.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
933 1 34 LEU MD1 1 41 GLU HB2 . . 5.500 3.102 3.102 3.102 . 0 0 "[ ]" 1
934 1 34 LEU MD1 1 41 GLU HB3 . . 6.300 4.213 4.213 4.213 . 0 0 "[ ]" 1
935 1 34 LEU MD1 1 45 ARG HA . . 5.700 4.620 4.620 4.620 . 0 0 "[ ]" 1
936 1 34 LEU MD1 1 45 ARG QB . . 6.500 3.934 3.934 3.934 . 0 0 "[ ]" 1
937 1 34 LEU MD1 1 45 ARG QD . . 7.100 2.828 2.828 2.828 . 0 0 "[ ]" 1
938 1 34 LEU MD2 1 35 GLU H . . 5.700 4.629 4.629 4.629 . 0 0 "[ ]" 1
939 1 34 LEU MD2 1 41 GLU HA . . 5.000 2.616 2.616 2.616 . 0 0 "[ ]" 1
940 1 34 LEU MD2 1 41 GLU HB2 . . 5.100 2.471 2.471 2.471 . 0 0 "[ ]" 1
941 1 34 LEU MD2 1 41 GLU HB3 . . 7.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
942 1 34 LEU MD2 1 44 LEU QB . . 6.100 2.232 2.232 2.232 . 0 0 "[ ]" 1
943 1 34 LEU MD2 1 45 ARG H . . 4.800 3.412 3.412 3.412 . 0 0 "[ ]" 1
944 1 34 LEU MD2 1 45 ARG HA . . 5.800 3.445 3.445 3.445 . 0 0 "[ ]" 1
945 1 34 LEU MD2 1 45 ARG QB . . 6.600 3.058 3.058 3.058 . 0 0 "[ ]" 1
946 1 34 LEU MD2 1 45 ARG QD . . 7.200 2.915 2.915 2.915 . 0 0 "[ ]" 1
947 1 35 GLU H 1 35 GLU HB2 . . 3.200 2.418 2.418 2.418 . 0 0 "[ ]" 1
948 1 35 GLU H 1 35 GLU HB3 . . 3.600 3.573 3.573 3.573 . 0 0 "[ ]" 1
949 1 35 GLU H 1 35 GLU QG . . 4.600 2.225 2.225 2.225 . 0 0 "[ ]" 1
950 1 35 GLU H 1 36 GLU H . . 2.700 2.665 2.665 2.665 . 0 0 "[ ]" 1
951 1 35 GLU H 1 37 HIS H . . 4.300 4.301 4.301 4.301 0.001 1 0 "[ ]" 1
952 1 35 GLU HA 1 35 GLU HB2 . . 3.000 3.035 3.035 3.035 0.035 1 0 "[ ]" 1
953 1 35 GLU HA 1 35 GLU HB3 . . 2.800 2.507 2.507 2.507 . 0 0 "[ ]" 1
954 1 35 GLU HA 1 36 GLU H . . 3.800 3.546 3.546 3.546 . 0 0 "[ ]" 1
955 1 35 GLU HA 1 37 HIS H . . 4.600 4.418 4.418 4.418 . 0 0 "[ ]" 1
956 1 35 GLU HB2 1 36 GLU H . . 3.500 2.666 2.666 2.666 . 0 0 "[ ]" 1
957 1 36 GLU H 1 36 GLU HB2 . . 2.900 2.426 2.426 2.426 . 0 0 "[ ]" 1
958 1 36 GLU H 1 36 GLU HB3 . . 4.200 3.516 3.516 3.516 . 0 0 "[ ]" 1
959 1 36 GLU H 1 36 GLU HG2 . . 4.100 2.875 2.875 2.875 . 0 0 "[ ]" 1
960 1 36 GLU H 1 36 GLU HG3 . . 3.800 2.240 2.240 2.240 . 0 0 "[ ]" 1
961 1 36 GLU H 1 37 HIS H . . 2.600 2.629 2.629 2.629 0.029 1 0 "[ ]" 1
962 1 36 GLU HA 1 36 GLU HB2 . . 3.000 3.030 3.030 3.030 0.030 1 0 "[ ]" 1
963 1 36 GLU HA 1 36 GLU HB3 . . 3.000 2.494 2.494 2.494 . 0 0 "[ ]" 1
964 1 36 GLU HA 1 36 GLU HG2 . . 4.000 2.383 2.383 2.383 . 0 0 "[ ]" 1
965 1 36 GLU HA 1 37 HIS H . . 4.700 3.516 3.516 3.516 . 0 0 "[ ]" 1
966 1 36 GLU HB2 1 37 HIS H . . 3.600 2.688 2.688 2.688 . 0 0 "[ ]" 1
967 1 36 GLU HB3 1 37 HIS H . . 3.900 3.756 3.756 3.756 . 0 0 "[ ]" 1
968 1 36 GLU HG2 1 37 HIS H . . 4.800 4.767 4.767 4.767 . 0 0 "[ ]" 1
969 1 36 GLU HG3 1 37 HIS H . . 4.800 4.317 4.317 4.317 . 0 0 "[ ]" 1
970 1 37 HIS H 1 37 HIS HA . . 2.800 2.789 2.789 2.789 . 0 0 "[ ]" 1
971 1 37 HIS H 1 37 HIS HB2 . . 2.600 2.533 2.533 2.533 . 0 0 "[ ]" 1
972 1 37 HIS H 1 37 HIS HB3 . . 2.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
973 1 37 HIS HA 1 38 PRO HG3 . . 6.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
974 1 37 HIS HD1 1 43 VAL MG1 . . 5.500 3.457 3.457 3.457 . 0 0 "[ ]" 1
975 1 37 HIS HD1 1 44 LEU MD2 . . 5.500 4.308 4.308 4.308 . 0 0 "[ ]" 1
976 1 38 PRO HA 1 38 PRO HB3 . . 3.100 2.337 2.337 2.337 . 0 0 "[ ]" 1
977 1 40 GLY H 1 41 GLU H . . 5.700 4.156 4.156 4.156 . 0 0 "[ ]" 1
978 1 40 GLY HA2 1 41 GLU H . . 3.500 2.262 2.262 2.262 . 0 0 "[ ]" 1
979 1 40 GLY HA2 1 42 ALA H . . 6.000 4.088 4.088 4.088 . 0 0 "[ ]" 1
980 1 40 GLY HA3 1 41 GLU H . . 3.400 2.930 2.930 2.930 . 0 0 "[ ]" 1
981 1 40 GLY HA3 1 42 ALA H . . 6.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
982 1 40 GLY HA3 1 43 VAL H . . 6.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
983 1 41 GLU H 1 41 GLU HB2 . . 3.600 3.587 3.587 3.587 . 0 0 "[ ]" 1
984 1 41 GLU H 1 41 GLU HB3 . . 3.600 2.608 2.608 2.608 . 0 0 "[ ]" 1
985 1 41 GLU HA 1 42 ALA H . . 5.400 3.548 3.548 3.548 . 0 0 "[ ]" 1
986 1 41 GLU HA 1 43 VAL H . . 6.000 4.638 4.638 4.638 . 0 0 "[ ]" 1
987 1 41 GLU HA 1 44 LEU H . . 4.600 3.754 3.754 3.754 . 0 0 "[ ]" 1
988 1 41 GLU HA 1 44 LEU QB . . 5.200 2.710 2.710 2.710 . 0 0 "[ ]" 1
989 1 41 GLU HA 1 44 LEU HG . . 5.200 4.644 4.644 4.644 . 0 0 "[ ]" 1
990 1 41 GLU HA 1 45 ARG H . . 5.900 4.100 4.100 4.100 . 0 0 "[ ]" 1
991 1 41 GLU HB2 1 42 ALA H . . 4.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
992 1 41 GLU HB3 1 42 ALA H . . 4.300 3.908 3.908 3.908 . 0 0 "[ ]" 1
993 1 41 GLU HB3 1 42 ALA MB . . 7.000 5.399 5.399 5.399 . 0 0 "[ ]" 1
994 1 42 ALA H 1 42 ALA MB . . 3.500 2.221 2.221 2.221 . 0 0 "[ ]" 1
995 1 42 ALA H 1 43 VAL H . . 5.100 3.049 3.049 3.049 . 0 0 "[ ]" 1
996 1 42 ALA H 1 44 LEU H . . 6.000 4.511 4.511 4.511 . 0 0 "[ ]" 1
997 1 42 ALA H 1 45 ARG H . . 6.000 4.662 4.662 4.662 . 0 0 "[ ]" 1
998 1 42 ALA HA 1 43 VAL H . . 4.200 3.615 3.615 3.615 . 0 0 "[ ]" 1
999 1 42 ALA HA 1 44 LEU H . . 5.900 4.769 4.769 4.769 . 0 0 "[ ]" 1
1000 1 42 ALA HA 1 45 ARG H . . 3.800 3.554 3.554 3.554 . 0 0 "[ ]" 1
1001 1 42 ALA HA 1 45 ARG QB . . 4.200 2.572 2.572 2.572 . 0 0 "[ ]" 1
1002 1 42 ALA HA 1 45 ARG QD . . 6.600 4.949 4.949 4.949 . 0 0 "[ ]" 1
1003 1 42 ALA HA 1 45 ARG QG . . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
1004 1 42 ALA HA 1 46 ALA H . . 4.600 3.925 3.925 3.925 . 0 0 "[ ]" 1
1005 1 42 ALA MB 1 43 VAL H . . 3.500 2.443 2.443 2.443 . 0 0 "[ ]" 1
1006 1 42 ALA MB 1 43 VAL HA . . 5.400 3.769 3.769 3.769 . 0 0 "[ ]" 1
1007 1 43 VAL H 1 43 VAL HB . . 3.500 2.343 2.343 2.343 . 0 0 "[ ]" 1
1008 1 43 VAL H 1 43 VAL MG2 . . 4.700 3.718 3.718 3.718 . 0 0 "[ ]" 1
1009 1 43 VAL H 1 44 LEU H . . 3.400 2.745 2.745 2.745 . 0 0 "[ ]" 1
1010 1 43 VAL H 1 45 ARG H . . 4.400 4.010 4.010 4.010 . 0 0 "[ ]" 1
1011 1 43 VAL H 1 46 ALA H . . 6.000 4.663 4.663 4.663 . 0 0 "[ ]" 1
1012 1 43 VAL H 1 46 ALA MB . . 6.100 4.558 4.558 4.558 . 0 0 "[ ]" 1
1013 1 43 VAL HA 1 43 VAL HB . . 3.100 2.555 2.555 2.555 . 0 0 "[ ]" 1
1014 1 43 VAL HA 1 43 VAL MG2 . . 3.700 2.215 2.215 2.215 . 0 0 "[ ]" 1
1015 1 43 VAL HA 1 44 LEU H . . 4.500 3.615 3.615 3.615 . 0 0 "[ ]" 1
1016 1 43 VAL HA 1 46 ALA H . . 3.900 3.313 3.313 3.313 . 0 0 "[ ]" 1
1017 1 43 VAL HA 1 46 ALA MB . . 3.500 2.422 2.422 2.422 . 0 0 "[ ]" 1
1018 1 43 VAL HB 1 44 LEU H . . 4.700 3.871 3.871 3.871 . 0 0 "[ ]" 1
1019 1 43 VAL MG1 1 44 LEU H . . 6.800 2.165 2.165 2.165 . 0 0 "[ ]" 1
1020 1 43 VAL MG2 1 44 LEU H . . 7.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
1021 1 44 LEU H 1 44 LEU HG . . 4.100 3.017 3.017 3.017 . 0 0 "[ ]" 1
1022 1 44 LEU H 1 45 ARG H . . 3.100 2.719 2.719 2.719 . 0 0 "[ ]" 1
1023 1 44 LEU H 1 45 ARG QB . . 5.100 4.391 4.391 4.391 . 0 0 "[ ]" 1
1024 1 44 LEU H 1 46 ALA H . . 4.600 4.320 4.320 4.320 . 0 0 "[ ]" 1
1025 1 44 LEU HA 1 44 LEU HG . . 3.700 2.762 2.762 2.762 . 0 0 "[ ]" 1
1026 1 44 LEU HA 1 45 ARG H . . 3.900 3.554 3.554 3.554 . 0 0 "[ ]" 1
1027 1 44 LEU HA 1 47 GLN H . . 5.200 3.698 3.698 3.698 . 0 0 "[ ]" 1
1028 1 44 LEU HA 1 47 GLN HB3 . . 4.600 4.425 4.425 4.425 . 0 0 "[ ]" 1
1029 1 44 LEU QB 1 45 ARG H . . 4.500 2.652 2.652 2.652 . 0 0 "[ ]" 1
1030 1 44 LEU HG 1 45 ARG H . . 5.300 4.858 4.858 4.858 . 0 0 "[ ]" 1
1031 1 45 ARG H 1 45 ARG HA . . 3.000 2.850 2.850 2.850 . 0 0 "[ ]" 1
1032 1 45 ARG H 1 45 ARG QB . . 3.400 2.170 2.170 2.170 . 0 0 "[ ]" 1
1033 1 45 ARG H 1 45 ARG QG . . 5.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
1034 1 45 ARG H 1 46 ALA H . . 3.200 2.613 2.613 2.613 . 0 0 "[ ]" 1
1035 1 45 ARG H 1 46 ALA MB . . 4.900 4.142 4.142 4.142 . 0 0 "[ ]" 1
1036 1 45 ARG H 1 47 GLN H . . 5.800 4.115 4.115 4.115 . 0 0 "[ ]" 1
1037 1 45 ARG HA 1 46 ALA H . . 3.800 3.557 3.557 3.557 . 0 0 "[ ]" 1
1038 1 45 ARG HA 1 47 GLN H . . 4.800 4.505 4.505 4.505 . 0 0 "[ ]" 1
1039 1 45 ARG HA 1 48 ALA H . . 3.900 3.453 3.453 3.453 . 0 0 "[ ]" 1
1040 1 45 ARG HA 1 48 ALA MB . . 3.500 2.445 2.445 2.445 . 0 0 "[ ]" 1
1041 1 45 ARG QB 1 46 ALA H . . 4.400 2.322 2.322 2.322 . 0 0 "[ ]" 1
1042 1 45 ARG QB 1 46 ALA HA . . 5.200 3.933 3.933 3.933 . 0 0 "[ ]" 1
1043 1 45 ARG QG 1 46 ALA H . . 6.700 3.718 3.718 3.718 . 0 0 "[ ]" 1
1044 1 46 ALA H 1 46 ALA HA . . 3.100 2.813 2.813 2.813 . 0 0 "[ ]" 1
1045 1 46 ALA H 1 46 ALA MB . . 3.500 2.140 2.140 2.140 . 0 0 "[ ]" 1
1046 1 46 ALA H 1 47 GLN H . . 2.900 2.753 2.753 2.753 . 0 0 "[ ]" 1
1047 1 46 ALA H 1 47 GLN HB2 . . 4.600 4.640 4.640 4.640 0.040 1 0 "[ ]" 1
1048 1 46 ALA H 1 48 ALA H . . 6.000 3.931 3.931 3.931 . 0 0 "[ ]" 1
1049 1 46 ALA HA 1 47 GLN H . . 3.700 3.581 3.581 3.581 . 0 0 "[ ]" 1
1050 1 46 ALA HA 1 48 ALA H . . 4.300 3.992 3.992 3.992 . 0 0 "[ ]" 1
1051 1 46 ALA MB 1 47 GLN H . . 3.500 2.478 2.478 2.478 . 0 0 "[ ]" 1
1052 1 46 ALA MB 1 47 GLN HG2 . . 5.300 3.052 3.052 3.052 . 0 0 "[ ]" 1
1053 1 46 ALA MB 1 48 ALA H . . 5.300 4.270 4.270 4.270 . 0 0 "[ ]" 1
1054 1 47 GLN H 1 47 GLN HA . . 3.100 2.926 2.926 2.926 . 0 0 "[ ]" 1
1055 1 47 GLN H 1 47 GLN HB2 . . 3.400 2.127 2.127 2.127 . 0 0 "[ ]" 1
1056 1 47 GLN H 1 47 GLN HB3 . . 3.400 3.451 3.451 3.451 0.051 1 0 "[ ]" 1
1057 1 47 GLN H 1 47 GLN HG2 . . 4.100 2.633 2.633 2.633 . 0 0 "[ ]" 1
1058 1 47 GLN H 1 47 GLN HG3 . . 3.900 3.784 3.784 3.784 . 0 0 "[ ]" 1
1059 1 47 GLN H 1 48 ALA H . . 2.600 2.608 2.608 2.608 0.008 1 0 "[ ]" 1
1060 1 47 GLN H 1 48 ALA HA . . 5.100 4.925 4.925 4.925 . 0 0 "[ ]" 1
1061 1 47 GLN H 1 48 ALA MB . . 5.400 4.190 4.190 4.190 . 0 0 "[ ]" 1
1062 1 47 GLN HA 1 47 GLN HB3 . . 3.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
1063 1 47 GLN HA 1 47 GLN HG2 . . 3.400 2.952 2.952 2.952 . 0 0 "[ ]" 1
1064 1 47 GLN HA 1 47 GLN HG3 . . 4.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
1065 1 47 GLN HA 1 48 ALA H . . 3.700 3.411 3.411 3.411 . 0 0 "[ ]" 1
1066 1 47 GLN HA 1 52 ALA MB . . 5.800 3.792 3.792 3.792 . 0 0 "[ ]" 1
1067 1 47 GLN HB2 1 47 GLN HG2 . . 2.600 2.495 2.495 2.495 . 0 0 "[ ]" 1
1068 1 47 GLN HB2 1 48 ALA H . . 3.400 3.436 3.436 3.436 0.036 1 0 "[ ]" 1
1069 1 47 GLN HB2 1 52 ALA MB . . 5.400 3.351 3.351 3.351 . 0 0 "[ ]" 1
1070 1 47 GLN HB3 1 47 GLN HG3 . . 2.500 2.433 2.433 2.433 . 0 0 "[ ]" 1
1071 1 47 GLN HB3 1 48 ALA H . . 4.600 4.105 4.105 4.105 . 0 0 "[ ]" 1
1072 1 47 GLN HB3 1 52 ALA HA . . 6.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
1073 1 47 GLN HB3 1 52 ALA MB . . 4.700 2.048 2.048 2.048 . 0 0 "[ ]" 1
1074 1 47 GLN HG2 1 52 ALA MB . . 6.400 4.350 4.350 4.350 . 0 0 "[ ]" 1
1075 1 47 GLN HG2 1 55 ASN HB2 . . 5.500 4.757 4.757 4.757 . 0 0 "[ ]" 1
1076 1 47 GLN HG3 1 52 ALA HA . . 4.800 4.452 4.452 4.452 . 0 0 "[ ]" 1
1077 1 47 GLN HG3 1 52 ALA MB . . 3.900 3.214 3.214 3.214 . 0 0 "[ ]" 1
1078 1 48 ALA H 1 48 ALA MB . . 3.500 2.197 2.197 2.197 . 0 0 "[ ]" 1
1079 1 48 ALA H 1 49 GLY H . . 5.000 4.662 4.662 4.662 . 0 0 "[ ]" 1
1080 1 48 ALA HA 1 49 GLY H . . 2.500 2.319 2.319 2.319 . 0 0 "[ ]" 1
1081 1 48 ALA HA 1 49 GLY HA2 . . 4.700 4.529 4.529 4.529 . 0 0 "[ ]" 1
1082 1 48 ALA HA 1 50 GLY H . . 3.900 3.642 3.642 3.642 . 0 0 "[ ]" 1
1083 1 48 ALA MB 1 49 GLY H . . 3.900 2.652 2.652 2.652 . 0 0 "[ ]" 1
1084 1 48 ALA MB 1 49 GLY HA2 . . 5.700 4.020 4.020 4.020 . 0 0 "[ ]" 1
1085 1 48 ALA MB 1 49 GLY HA3 . . 5.100 3.886 3.886 3.886 . 0 0 "[ ]" 1
1086 1 48 ALA MB 1 50 GLY H . . 5.800 4.603 4.603 4.603 . 0 0 "[ ]" 1
1087 1 49 GLY H 1 49 GLY HA3 . . 3.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
1088 1 49 GLY H 1 50 GLY H . . 3.200 2.707 2.707 2.707 . 0 0 "[ ]" 1
1089 1 49 GLY HA2 1 50 GLY H . . 3.800 3.348 3.348 3.348 . 0 0 "[ ]" 1
1090 1 49 GLY HA3 1 50 GLY H . . 3.800 3.476 3.476 3.476 . 0 0 "[ ]" 1
1091 1 50 GLY H 1 50 GLY HA3 . . 3.100 2.790 2.790 2.790 . 0 0 "[ ]" 1
1092 1 50 GLY H 1 51 ASP H . . 4.500 4.296 4.296 4.296 . 0 0 "[ ]" 1
1093 1 50 GLY HA2 1 51 ASP H . . 3.100 2.834 2.834 2.834 . 0 0 "[ ]" 1
1094 1 50 GLY HA3 1 51 ASP H . . 3.700 2.328 2.328 2.328 . 0 0 "[ ]" 1
1095 1 50 GLY HA3 1 51 ASP HB3 . . 5.100 4.611 4.611 4.611 . 0 0 "[ ]" 1
1096 1 51 ASP H 1 51 ASP HB3 . . 3.200 2.482 2.482 2.482 . 0 0 "[ ]" 1
1097 1 52 ALA H 1 52 ALA MB . . 3.500 2.513 2.513 2.513 . 0 0 "[ ]" 1
1098 1 52 ALA H 1 53 THR H . . 6.000 2.215 2.215 2.215 . 0 0 "[ ]" 1
1099 1 52 ALA H 1 53 THR HA . . 4.400 4.115 4.115 4.115 . 0 0 "[ ]" 1
1100 1 52 ALA H 1 53 THR HB . . 4.700 4.707 4.707 4.707 0.007 1 0 "[ ]" 1
1101 1 52 ALA H 1 53 THR MG . . 7.000 5.165 5.165 5.165 . 0 0 "[ ]" 1
1102 1 52 ALA HA 1 53 THR H . . 4.900 3.151 3.151 3.151 . 0 0 "[ ]" 1
1103 1 52 ALA HA 1 53 THR HA . . 4.900 4.840 4.840 4.840 . 0 0 "[ ]" 1
1104 1 52 ALA HA 1 54 ALA H . . 4.900 4.231 4.231 4.231 . 0 0 "[ ]" 1
1105 1 52 ALA HA 1 55 ASN H . . 4.700 3.244 3.244 3.244 . 0 0 "[ ]" 1
1106 1 52 ALA HA 1 55 ASN HB2 . . 3.200 2.785 2.785 2.785 . 0 0 "[ ]" 1
1107 1 52 ALA HA 1 56 PHE H . . 4.100 4.104 4.104 4.104 0.004 1 0 "[ ]" 1
1108 1 52 ALA MB 1 53 THR H . . 5.200 3.614 3.614 3.614 . 0 0 "[ ]" 1
1109 1 52 ALA MB 1 53 THR HA . . 5.600 4.172 4.172 4.172 . 0 0 "[ ]" 1
1110 1 52 ALA MB 1 54 ALA H . . 6.100 5.078 5.078 5.078 . 0 0 "[ ]" 1
1111 1 52 ALA MB 1 55 ASN H . . 5.000 4.038 4.038 4.038 . 0 0 "[ ]" 1
1112 1 52 ALA MB 1 55 ASN HB2 . . 7.000 3.160 3.160 3.160 . 0 0 "[ ]" 1
1113 1 52 ALA MB 1 56 PHE H . . 4.000 3.387 3.387 3.387 . 0 0 "[ ]" 1
1114 1 53 THR H 1 53 THR HB . . 3.400 2.600 2.600 2.600 . 0 0 "[ ]" 1
1115 1 53 THR H 1 53 THR MG . . 4.500 3.732 3.732 3.732 . 0 0 "[ ]" 1
1116 1 53 THR H 1 54 ALA H . . 5.200 2.805 2.805 2.805 . 0 0 "[ ]" 1
1117 1 53 THR H 1 55 ASN H . . 4.200 4.098 4.098 4.098 . 0 0 "[ ]" 1
1118 1 53 THR HA 1 53 THR MG . . 3.600 2.298 2.298 2.298 . 0 0 "[ ]" 1
1119 1 53 THR HA 1 54 ALA H . . 4.200 3.580 3.580 3.580 . 0 0 "[ ]" 1
1120 1 53 THR HA 1 55 ASN H . . 6.000 4.516 4.516 4.516 . 0 0 "[ ]" 1
1121 1 53 THR HA 1 56 PHE H . . 4.100 3.700 3.700 3.700 . 0 0 "[ ]" 1
1122 1 53 THR HA 1 57 GLU H . . 4.800 4.016 4.016 4.016 . 0 0 "[ ]" 1
1123 1 53 THR HB 1 54 ALA H . . 3.100 2.235 2.235 2.235 . 0 0 "[ ]" 1
1124 1 53 THR HB 1 54 ALA MB . . 6.200 3.725 3.725 3.725 . 0 0 "[ ]" 1
1125 1 53 THR MG 1 54 ALA H . . 4.700 3.325 3.325 3.325 . 0 0 "[ ]" 1
1126 1 53 THR MG 1 54 ALA HA . . 5.600 3.532 3.532 3.532 . 0 0 "[ ]" 1
1127 1 53 THR MG 1 55 ASN H . . 7.000 5.075 5.075 5.075 . 0 0 "[ ]" 1
1128 1 53 THR MG 1 56 PHE QB . . 6.100 3.774 3.774 3.774 . 0 0 "[ ]" 1
1129 1 53 THR MG 1 57 GLU H . . 5.800 4.002 4.002 4.002 . 0 0 "[ ]" 1
1130 1 53 THR MG 1 57 GLU HA . . 7.000 5.578 5.578 5.578 . 0 0 "[ ]" 1
1131 1 53 THR MG 1 57 GLU HB2 . . 5.900 5.030 5.030 5.030 . 0 0 "[ ]" 1
1132 1 53 THR MG 1 57 GLU HB3 . . 7.000 3.913 3.913 3.913 . 0 0 "[ ]" 1
1133 1 53 THR MG 1 57 GLU HG3 . . 4.300 4.369 4.369 4.369 0.069 1 0 "[ ]" 1
1134 1 54 ALA H 1 54 ALA HA . . 3.000 2.816 2.816 2.816 . 0 0 "[ ]" 1
1135 1 54 ALA H 1 54 ALA MB . . 3.500 2.232 2.232 2.232 . 0 0 "[ ]" 1
1136 1 54 ALA H 1 55 ASN H . . 3.500 2.809 2.809 2.809 . 0 0 "[ ]" 1
1137 1 54 ALA H 1 56 PHE H . . 4.400 4.435 4.435 4.435 0.035 1 0 "[ ]" 1
1138 1 54 ALA HA 1 55 ASN H . . 3.700 3.576 3.576 3.576 . 0 0 "[ ]" 1
1139 1 54 ALA HA 1 56 PHE H . . 4.900 4.718 4.718 4.718 . 0 0 "[ ]" 1
1140 1 54 ALA HA 1 57 GLU H . . 4.100 3.588 3.588 3.588 . 0 0 "[ ]" 1
1141 1 54 ALA HA 1 57 GLU HA . . 5.700 5.756 5.756 5.756 0.056 1 0 "[ ]" 1
1142 1 54 ALA HA 1 57 GLU HB2 . . 5.300 4.931 4.931 4.931 . 0 0 "[ ]" 1
1143 1 54 ALA HA 1 57 GLU HB3 . . 4.700 4.673 4.673 4.673 . 0 0 "[ ]" 1
1144 1 54 ALA HA 1 58 ALA H . . 5.200 3.558 3.558 3.558 . 0 0 "[ ]" 1
1145 1 54 ALA MB 1 55 ASN H . . 3.500 2.593 2.593 2.593 . 0 0 "[ ]" 1
1146 1 54 ALA MB 1 56 PHE H . . 7.000 4.732 4.732 4.732 . 0 0 "[ ]" 1
1147 1 55 ASN H 1 55 ASN HA . . 3.100 2.866 2.866 2.866 . 0 0 "[ ]" 1
1148 1 55 ASN H 1 55 ASN HB2 . . 3.300 2.125 2.125 2.125 . 0 0 "[ ]" 1
1149 1 55 ASN H 1 55 ASN HB3 . . 3.600 3.239 3.239 3.239 . 0 0 "[ ]" 1
1150 1 55 ASN H 1 56 PHE H . . 3.200 2.745 2.745 2.745 . 0 0 "[ ]" 1
1151 1 55 ASN H 1 57 GLU H . . 6.000 4.358 4.358 4.358 . 0 0 "[ ]" 1
1152 1 55 ASN H 1 58 ALA MB . . 5.300 4.410 4.410 4.410 . 0 0 "[ ]" 1
1153 1 55 ASN HA 1 55 ASN HB3 . . 3.100 2.921 2.921 2.921 . 0 0 "[ ]" 1
1154 1 55 ASN HA 1 55 ASN HD21 . . 4.600 2.500 2.500 2.500 . 0 0 "[ ]" 1
1155 1 55 ASN HA 1 56 PHE H . . 3.700 3.576 3.576 3.576 . 0 0 "[ ]" 1
1156 1 55 ASN HA 1 57 GLU H . . 6.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
1157 1 55 ASN HA 1 58 ALA H . . 4.100 3.731 3.731 3.731 . 0 0 "[ ]" 1
1158 1 55 ASN HA 1 58 ALA MB . . 3.500 2.473 2.473 2.473 . 0 0 "[ ]" 1
1159 1 55 ASN HB2 1 55 ASN HD22 . . 4.300 3.649 3.649 3.649 . 0 0 "[ ]" 1
1160 1 55 ASN HB2 1 56 PHE H . . 3.500 3.149 3.149 3.149 . 0 0 "[ ]" 1
1161 1 55 ASN HB3 1 56 PHE H . . 3.800 2.662 2.662 2.662 . 0 0 "[ ]" 1
1162 1 56 PHE H 1 57 GLU H . . 3.100 3.032 3.032 3.032 . 0 0 "[ ]" 1
1163 1 56 PHE H 1 57 GLU HG2 . . 4.300 4.616 4.616 4.616 0.316 1 0 "[ ]" 1
1164 1 56 PHE H 1 58 ALA H . . 4.600 4.336 4.336 4.336 . 0 0 "[ ]" 1
1165 1 56 PHE QB 1 57 GLU H . . 6.900 2.470 2.470 2.470 . 0 0 "[ ]" 1
1166 1 57 GLU H 1 57 GLU HA . . 3.100 2.878 2.878 2.878 . 0 0 "[ ]" 1
1167 1 57 GLU H 1 57 GLU HB2 . . 3.600 3.646 3.646 3.646 0.046 1 0 "[ ]" 1
1168 1 57 GLU H 1 57 GLU HB3 . . 3.100 2.750 2.750 2.750 . 0 0 "[ ]" 1
1169 1 57 GLU H 1 57 GLU HG2 . . 3.500 2.179 2.179 2.179 . 0 0 "[ ]" 1
1170 1 57 GLU H 1 57 GLU HG3 . . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
1171 1 57 GLU H 1 58 ALA H . . 2.900 2.610 2.610 2.610 . 0 0 "[ ]" 1
1172 1 57 GLU H 1 58 ALA HA . . 5.400 5.279 5.279 5.279 . 0 0 "[ ]" 1
1173 1 57 GLU H 1 58 ALA MB . . 5.300 4.314 4.314 4.314 . 0 0 "[ ]" 1
1174 1 57 GLU H 1 59 VAL H . . 4.800 4.291 4.291 4.291 . 0 0 "[ ]" 1
1175 1 57 GLU HA 1 57 GLU HB2 . . 3.000 2.422 2.422 2.422 . 0 0 "[ ]" 1
1176 1 57 GLU HA 1 57 GLU HB3 . . 2.900 2.317 2.317 2.317 . 0 0 "[ ]" 1
1177 1 57 GLU HA 1 57 GLU HG2 . . 4.300 3.812 3.812 3.812 . 0 0 "[ ]" 1
1178 1 57 GLU HA 1 58 ALA H . . 3.800 3.521 3.521 3.521 . 0 0 "[ ]" 1
1179 1 57 GLU HA 1 59 VAL H . . 4.600 4.388 4.388 4.388 . 0 0 "[ ]" 1
1180 1 57 GLU HA 1 60 GLY H . . 5.000 3.008 3.008 3.008 . 0 0 "[ ]" 1
1181 1 57 GLU HA 1 61 HIS H . . 6.000 4.262 4.262 4.262 . 0 0 "[ ]" 1
1182 1 57 GLU HB2 1 57 GLU HG2 . . 3.000 3.016 3.016 3.016 0.016 1 0 "[ ]" 1
1183 1 57 GLU HB2 1 57 GLU HG3 . . 2.900 2.561 2.561 2.561 . 0 0 "[ ]" 1
1184 1 57 GLU HB2 1 58 ALA H . . 3.900 3.760 3.760 3.760 . 0 0 "[ ]" 1
1185 1 57 GLU HB3 1 58 ALA H . . 4.000 4.088 4.088 4.088 0.088 1 0 "[ ]" 1
1186 1 57 GLU HG2 1 58 ALA H . . 6.000 3.188 3.188 3.188 . 0 0 "[ ]" 1
1187 1 57 GLU HG3 1 58 ALA H . . 5.800 2.390 2.390 2.390 . 0 0 "[ ]" 1
1188 1 58 ALA H 1 58 ALA HA . . 2.900 2.825 2.825 2.825 . 0 0 "[ ]" 1
1189 1 58 ALA H 1 58 ALA MB . . 3.500 2.304 2.304 2.304 . 0 0 "[ ]" 1
1190 1 58 ALA H 1 59 VAL H . . 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 1
1191 1 58 ALA HA 1 59 VAL H . . 4.300 3.614 3.614 3.614 . 0 0 "[ ]" 1
1192 1 58 ALA HA 1 60 GLY H . . 5.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
1193 1 58 ALA MB 1 59 VAL H . . 3.700 2.497 2.497 2.497 . 0 0 "[ ]" 1
1194 1 59 VAL H 1 60 GLY H . . 3.400 2.673 2.673 2.673 . 0 0 "[ ]" 1
1195 1 60 GLY H 1 61 HIS H . . 5.000 4.080 4.080 4.080 . 0 0 "[ ]" 1
1196 1 60 GLY HA2 1 61 HIS H . . 4.800 2.277 2.277 2.277 . 0 0 "[ ]" 1
1197 1 60 GLY HA3 1 61 HIS H . . 5.600 3.040 3.040 3.040 . 0 0 "[ ]" 1
1198 1 61 HIS HA 1 62 SER H . . 4.100 2.160 2.160 2.160 . 0 0 "[ ]" 1
1199 1 62 SER H 1 62 SER HB2 . . 3.800 2.539 2.539 2.539 . 0 0 "[ ]" 1
1200 1 62 SER H 1 62 SER HB3 . . 3.600 3.543 3.543 3.543 . 0 0 "[ ]" 1
1201 1 62 SER H 1 63 THR H . . 6.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
1202 1 62 SER H 1 65 ALA H . . 6.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
1203 1 62 SER H 1 65 ALA MB . . 7.000 2.531 2.531 2.531 . 0 0 "[ ]" 1
1204 1 62 SER HA 1 63 THR H . . 3.900 2.552 2.552 2.552 . 0 0 "[ ]" 1
1205 1 62 SER HA 1 63 THR HA . . 4.800 4.441 4.441 4.441 . 0 0 "[ ]" 1
1206 1 62 SER HB2 1 63 THR H . . 4.600 3.424 3.424 3.424 . 0 0 "[ ]" 1
1207 1 62 SER HB2 1 65 ALA H . . 6.000 2.566 2.566 2.566 . 0 0 "[ ]" 1
1208 1 62 SER HB3 1 63 THR H . . 5.000 2.329 2.329 2.329 . 0 0 "[ ]" 1
1209 1 62 SER HB3 1 65 ALA H . . 6.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
1210 1 63 THR H 1 63 THR HA . . 3.100 2.829 2.829 2.829 . 0 0 "[ ]" 1
1211 1 63 THR H 1 63 THR HB . . 4.000 3.427 3.427 3.427 . 0 0 "[ ]" 1
1212 1 63 THR H 1 64 ASP H . . 3.700 2.746 2.746 2.746 . 0 0 "[ ]" 1
1213 1 63 THR H 1 65 ALA H . . 4.300 4.239 4.239 4.239 . 0 0 "[ ]" 1
1214 1 63 THR HA 1 64 ASP H . . 3.800 3.574 3.574 3.574 . 0 0 "[ ]" 1
1215 1 63 THR HA 1 65 ALA H . . 4.700 4.629 4.629 4.629 . 0 0 "[ ]" 1
1216 1 63 THR HA 1 66 ARG H . . 3.400 3.407 3.407 3.407 0.007 1 0 "[ ]" 1
1217 1 63 THR HA 1 66 ARG HB3 . . 3.600 3.970 3.970 3.970 0.370 1 0 "[ ]" 1
1218 1 63 THR HA 1 66 ARG HD2 . . 5.800 2.764 2.764 2.764 . 0 0 "[ ]" 1
1219 1 63 THR HA 1 66 ARG HD3 . . 4.100 2.954 2.954 2.954 . 0 0 "[ ]" 1
1220 1 63 THR HA 1 66 ARG HG2 . . 4.800 4.833 4.833 4.833 0.033 1 0 "[ ]" 1
1221 1 63 THR HA 1 66 ARG HG3 . . 6.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
1222 1 63 THR HA 1 67 GLU H . . 4.100 4.113 4.113 4.113 0.013 1 0 "[ ]" 1
1223 1 63 THR HB 1 64 ASP H . . 3.600 3.050 3.050 3.050 . 0 0 "[ ]" 1
1224 1 63 THR HB 1 67 GLU H . . 5.400 5.047 5.047 5.047 . 0 0 "[ ]" 1
1225 1 64 ASP H 1 64 ASP HA . . 3.000 2.785 2.785 2.785 . 0 0 "[ ]" 1
1226 1 64 ASP H 1 64 ASP HB2 . . 3.100 2.415 2.415 2.415 . 0 0 "[ ]" 1
1227 1 64 ASP H 1 64 ASP HB3 . . 3.300 2.625 2.625 2.625 . 0 0 "[ ]" 1
1228 1 64 ASP HA 1 64 ASP HB2 . . 2.800 2.529 2.529 2.529 . 0 0 "[ ]" 1
1229 1 64 ASP HA 1 64 ASP HB3 . . 3.100 3.097 3.097 3.097 . 0 0 "[ ]" 1
1230 1 64 ASP HA 1 65 ALA H . . 3.800 3.500 3.500 3.500 . 0 0 "[ ]" 1
1231 1 64 ASP HA 1 67 GLU H . . 3.600 3.529 3.529 3.529 . 0 0 "[ ]" 1
1232 1 64 ASP HA 1 67 GLU HB2 . . 4.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
1233 1 64 ASP HA 1 67 GLU HB3 . . 4.100 4.207 4.207 4.207 0.107 1 0 "[ ]" 1
1234 1 64 ASP HA 1 68 LEU H . . 5.100 3.919 3.919 3.919 . 0 0 "[ ]" 1
1235 1 64 ASP HB2 1 65 ALA H . . 3.300 3.515 3.515 3.515 0.215 1 0 "[ ]" 1
1236 1 64 ASP HB2 1 65 ALA HA . . 6.000 5.492 5.492 5.492 . 0 0 "[ ]" 1
1237 1 64 ASP HB3 1 65 ALA H . . 3.400 2.092 2.092 2.092 . 0 0 "[ ]" 1
1238 1 65 ALA H 1 66 ARG H . . 3.400 2.816 2.816 2.816 . 0 0 "[ ]" 1
1239 1 65 ALA H 1 67 GLU H . . 4.000 4.098 4.098 4.098 0.098 1 0 "[ ]" 1
1240 1 65 ALA H 1 68 LEU HB3 . . 5.300 4.818 4.818 4.818 . 0 0 "[ ]" 1
1241 1 65 ALA HA 1 66 ARG H . . 4.600 3.565 3.565 3.565 . 0 0 "[ ]" 1
1242 1 65 ALA HA 1 67 GLU H . . 6.000 4.289 4.289 4.289 . 0 0 "[ ]" 1
1243 1 65 ALA HA 1 68 LEU H . . 4.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
1244 1 65 ALA HA 1 68 LEU HB2 . . 3.700 3.048 3.048 3.048 . 0 0 "[ ]" 1
1245 1 65 ALA HA 1 68 LEU HB3 . . 3.700 2.335 2.335 2.335 . 0 0 "[ ]" 1
1246 1 65 ALA HA 1 68 LEU MD2 . . 4.900 3.227 3.227 3.227 . 0 0 "[ ]" 1
1247 1 65 ALA HA 1 69 SER H . . 4.600 3.744 3.744 3.744 . 0 0 "[ ]" 1
1248 1 65 ALA MB 1 66 ARG H . . 4.300 2.580 2.580 2.580 . 0 0 "[ ]" 1
1249 1 66 ARG H 1 66 ARG HB2 . . 3.100 2.259 2.259 2.259 . 0 0 "[ ]" 1
1250 1 66 ARG H 1 66 ARG HB3 . . 3.600 3.539 3.539 3.539 . 0 0 "[ ]" 1
1251 1 66 ARG H 1 66 ARG HD2 . . 3.700 3.648 3.648 3.648 . 0 0 "[ ]" 1
1252 1 66 ARG H 1 66 ARG HD3 . . 4.700 4.207 4.207 4.207 . 0 0 "[ ]" 1
1253 1 66 ARG H 1 66 ARG HG2 . . 4.700 3.944 3.944 3.944 . 0 0 "[ ]" 1
1254 1 66 ARG H 1 66 ARG HG3 . . 5.100 2.675 2.675 2.675 . 0 0 "[ ]" 1
1255 1 66 ARG H 1 67 GLU H . . 3.100 2.639 2.639 2.639 . 0 0 "[ ]" 1
1256 1 66 ARG H 1 67 GLU HB2 . . 4.500 4.533 4.533 4.533 0.033 1 0 "[ ]" 1
1257 1 66 ARG H 1 68 LEU H . . 5.400 4.077 4.077 4.077 . 0 0 "[ ]" 1
1258 1 66 ARG HA 1 66 ARG HD2 . . 4.500 4.582 4.582 4.582 0.082 1 0 "[ ]" 1
1259 1 66 ARG HA 1 67 GLU H . . 4.200 3.593 3.593 3.593 . 0 0 "[ ]" 1
1260 1 66 ARG HA 1 69 SER H . . 6.000 3.688 3.688 3.688 . 0 0 "[ ]" 1
1261 1 66 ARG HA 1 69 SER QB . . 7.000 3.002 3.002 3.002 . 0 0 "[ ]" 1
1262 1 66 ARG HB2 1 66 ARG HD2 . . 3.500 2.764 2.764 2.764 . 0 0 "[ ]" 1
1263 1 66 ARG HB2 1 66 ARG HD3 . . 4.300 2.360 2.360 2.360 . 0 0 "[ ]" 1
1264 1 66 ARG HB2 1 67 GLU H . . 4.300 2.803 2.803 2.803 . 0 0 "[ ]" 1
1265 1 66 ARG HB3 1 66 ARG HD2 . . 4.100 3.618 3.618 3.618 . 0 0 "[ ]" 1
1266 1 66 ARG HB3 1 66 ARG HD3 . . 3.900 2.531 2.531 2.531 . 0 0 "[ ]" 1
1267 1 66 ARG HB3 1 67 GLU H . . 4.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
1268 1 66 ARG HD2 1 66 ARG HG3 . . 2.900 2.310 2.310 2.310 . 0 0 "[ ]" 1
1269 1 66 ARG HD3 1 66 ARG HG2 . . 2.700 2.650 2.650 2.650 . 0 0 "[ ]" 1
1270 1 66 ARG HG3 1 67 GLU H . . 6.000 4.706 4.706 4.706 . 0 0 "[ ]" 1
1271 1 67 GLU H 1 67 GLU HA . . 3.000 2.928 2.928 2.928 . 0 0 "[ ]" 1
1272 1 67 GLU H 1 67 GLU HB2 . . 3.000 2.106 2.106 2.106 . 0 0 "[ ]" 1
1273 1 67 GLU H 1 67 GLU HB3 . . 3.500 3.477 3.477 3.477 . 0 0 "[ ]" 1
1274 1 67 GLU H 1 67 GLU HG2 . . 3.600 2.790 2.790 2.790 . 0 0 "[ ]" 1
1275 1 67 GLU H 1 67 GLU HG3 . . 3.800 3.836 3.836 3.836 0.036 1 0 "[ ]" 1
1276 1 67 GLU H 1 68 LEU H . . 3.000 2.383 2.383 2.383 . 0 0 "[ ]" 1
1277 1 67 GLU H 1 68 LEU HA . . 5.000 5.052 5.052 5.052 0.052 1 0 "[ ]" 1
1278 1 67 GLU H 1 68 LEU HB2 . . 4.600 4.454 4.454 4.454 . 0 0 "[ ]" 1
1279 1 67 GLU H 1 68 LEU HB3 . . 4.400 4.412 4.412 4.412 0.012 1 0 "[ ]" 1
1280 1 67 GLU H 1 69 SER H . . 5.600 4.135 4.135 4.135 . 0 0 "[ ]" 1
1281 1 67 GLU HA 1 67 GLU HB2 . . 2.900 2.976 2.976 2.976 0.076 1 0 "[ ]" 1
1282 1 67 GLU HA 1 67 GLU HB3 . . 2.800 2.672 2.672 2.672 . 0 0 "[ ]" 1
1283 1 67 GLU HA 1 67 GLU HG2 . . 3.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
1284 1 67 GLU HA 1 67 GLU HG3 . . 3.700 3.582 3.582 3.582 . 0 0 "[ ]" 1
1285 1 67 GLU HA 1 68 LEU H . . 3.900 3.482 3.482 3.482 . 0 0 "[ ]" 1
1286 1 67 GLU HA 1 69 SER H . . 6.000 4.627 4.627 4.627 . 0 0 "[ ]" 1
1287 1 67 GLU HA 1 70 LYS H . . 4.500 3.302 3.302 3.302 . 0 0 "[ ]" 1
1288 1 67 GLU HB2 1 67 GLU HG2 . . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
1289 1 67 GLU HB2 1 67 GLU HG3 . . 2.900 2.425 2.425 2.425 . 0 0 "[ ]" 1
1290 1 67 GLU HB2 1 68 LEU H . . 3.100 2.808 2.808 2.808 . 0 0 "[ ]" 1
1291 1 67 GLU HB2 1 68 LEU HB2 . . 5.200 4.544 4.544 4.544 . 0 0 "[ ]" 1
1292 1 67 GLU HB3 1 67 GLU HG2 . . 3.100 3.072 3.072 3.072 . 0 0 "[ ]" 1
1293 1 67 GLU HB3 1 67 GLU HG3 . . 3.000 2.496 2.496 2.496 . 0 0 "[ ]" 1
1294 1 67 GLU HB3 1 68 LEU H . . 3.500 3.476 3.476 3.476 . 0 0 "[ ]" 1
1295 1 68 LEU H 1 68 LEU HA . . 3.000 2.769 2.769 2.769 . 0 0 "[ ]" 1
1296 1 68 LEU H 1 68 LEU HB2 . . 2.900 2.307 2.307 2.307 . 0 0 "[ ]" 1
1297 1 68 LEU H 1 68 LEU HB3 . . 3.300 2.494 2.494 2.494 . 0 0 "[ ]" 1
1298 1 68 LEU H 1 68 LEU MD1 . . 5.300 4.056 4.056 4.056 . 0 0 "[ ]" 1
1299 1 68 LEU H 1 68 LEU MD2 . . 5.300 4.074 4.074 4.074 . 0 0 "[ ]" 1
1300 1 68 LEU H 1 68 LEU HG . . 4.500 4.495 4.495 4.495 . 0 0 "[ ]" 1
1301 1 68 LEU H 1 69 SER H . . 3.100 2.852 2.852 2.852 . 0 0 "[ ]" 1
1302 1 68 LEU H 1 70 LYS H . . 6.000 4.275 4.275 4.275 . 0 0 "[ ]" 1
1303 1 68 LEU HA 1 68 LEU HB2 . . 2.700 2.482 2.482 2.482 . 0 0 "[ ]" 1
1304 1 68 LEU HA 1 68 LEU HB3 . . 3.000 3.016 3.016 3.016 0.016 1 0 "[ ]" 1
1305 1 68 LEU HA 1 68 LEU MD1 . . 3.900 2.090 2.090 2.090 . 0 0 "[ ]" 1
1306 1 68 LEU HA 1 68 LEU MD2 . . 4.500 3.443 3.443 3.443 . 0 0 "[ ]" 1
1307 1 68 LEU HA 1 68 LEU HG . . 4.100 3.698 3.698 3.698 . 0 0 "[ ]" 1
1308 1 68 LEU HA 1 69 SER H . . 4.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
1309 1 68 LEU HA 1 70 LYS H . . 4.700 4.399 4.399 4.399 . 0 0 "[ ]" 1
1310 1 68 LEU HA 1 71 THR H . . 5.000 3.425 3.425 3.425 . 0 0 "[ ]" 1
1311 1 68 LEU HB2 1 68 LEU MD2 . . 3.600 2.167 2.167 2.167 . 0 0 "[ ]" 1
1312 1 68 LEU HB2 1 69 SER H . . 4.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
1313 1 68 LEU HB2 1 72 PHE CZ . . 8.000 7.800 7.800 7.800 . 0 0 "[ ]" 1
1314 1 68 LEU HB3 1 68 LEU MD1 . . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
1315 1 68 LEU HB3 1 68 LEU MD2 . . 3.600 2.758 2.758 2.758 . 0 0 "[ ]" 1
1316 1 68 LEU HB3 1 69 SER H . . 3.600 2.285 2.285 2.285 . 0 0 "[ ]" 1
1317 1 68 LEU HB3 1 72 PHE CG . . 8.000 6.980 6.980 6.980 . 0 0 "[ ]" 1
1318 1 68 LEU HB3 1 72 PHE CZ . . 8.000 7.305 7.305 7.305 . 0 0 "[ ]" 1
1319 1 68 LEU MD1 1 69 SER H . . 4.300 3.702 3.702 3.702 . 0 0 "[ ]" 1
1320 1 68 LEU MD1 1 71 THR H . . 5.300 3.784 3.784 3.784 . 0 0 "[ ]" 1
1321 1 68 LEU MD1 1 71 THR HB . . 7.000 2.592 2.592 2.592 . 0 0 "[ ]" 1
1322 1 68 LEU MD1 1 72 PHE CZ . . 6.800 3.665 3.665 3.665 . 0 0 "[ ]" 1
1323 1 68 LEU MD1 1 72 PHE HZ . . 5.500 3.847 3.847 3.847 . 0 0 "[ ]" 1
1324 1 68 LEU MD2 1 69 SER H . . 6.900 4.617 4.617 4.617 . 0 0 "[ ]" 1
1325 1 68 LEU MD2 1 69 SER HA . . 7.000 5.770 5.770 5.770 . 0 0 "[ ]" 1
1326 1 68 LEU MD2 1 72 PHE CZ . . 6.800 5.450 5.450 5.450 . 0 0 "[ ]" 1
1327 1 68 LEU MD2 1 72 PHE HZ . . 7.000 5.338 5.338 5.338 . 0 0 "[ ]" 1
1328 1 68 LEU HG 1 69 SER H . . 4.800 3.732 3.732 3.732 . 0 0 "[ ]" 1
1329 1 68 LEU HG 1 72 PHE CG . . 7.200 5.746 5.746 5.746 . 0 0 "[ ]" 1
1330 1 68 LEU HG 1 72 PHE CZ . . 5.600 5.443 5.443 5.443 . 0 0 "[ ]" 1
1331 1 69 SER H 1 70 LYS H . . 3.600 3.221 3.221 3.221 . 0 0 "[ ]" 1
1332 1 69 SER H 1 70 LYS HG3 . . 5.300 5.069 5.069 5.069 . 0 0 "[ ]" 1
1333 1 69 SER H 1 72 PHE CG . . 8.000 6.492 6.492 6.492 . 0 0 "[ ]" 1
1334 1 69 SER HA 1 70 LYS H . . 3.700 3.624 3.624 3.624 . 0 0 "[ ]" 1
1335 1 69 SER HA 1 72 PHE CG . . 5.400 4.429 4.429 4.429 . 0 0 "[ ]" 1
1336 1 69 SER HA 1 72 PHE CZ . . 6.200 6.317 6.317 6.317 0.117 1 0 "[ ]" 1
1337 1 69 SER HA 1 72 PHE H . . 5.000 3.430 3.430 3.430 . 0 0 "[ ]" 1
1338 1 69 SER HA 1 72 PHE QB . . 7.000 2.839 2.839 2.839 . 0 0 "[ ]" 1
1339 1 69 SER QB 1 70 LYS H . . 6.300 3.441 3.441 3.441 . 0 0 "[ ]" 1
1340 1 70 LYS H 1 70 LYS QB . . 3.600 2.571 2.571 2.571 . 0 0 "[ ]" 1
1341 1 70 LYS H 1 70 LYS HG2 . . 3.100 3.132 3.132 3.132 0.032 1 0 "[ ]" 1
1342 1 70 LYS H 1 70 LYS HG3 . . 3.600 2.296 2.296 2.296 . 0 0 "[ ]" 1
1343 1 70 LYS H 1 71 THR H . . 3.100 2.796 2.796 2.796 . 0 0 "[ ]" 1
1344 1 70 LYS HA 1 70 LYS HG2 . . 3.700 2.420 2.420 2.420 . 0 0 "[ ]" 1
1345 1 70 LYS HA 1 70 LYS HG3 . . 3.200 3.292 3.292 3.292 0.092 1 0 "[ ]" 1
1346 1 70 LYS HA 1 71 THR H . . 4.400 3.543 3.543 3.543 . 0 0 "[ ]" 1
1347 1 70 LYS HA 1 72 PHE H . . 4.400 3.794 3.794 3.794 . 0 0 "[ ]" 1
1348 1 70 LYS HA 1 73 ILE H . . 4.400 3.119 3.119 3.119 . 0 0 "[ ]" 1
1349 1 70 LYS HA 1 73 ILE HB . . 4.800 2.088 2.088 2.088 . 0 0 "[ ]" 1
1350 1 70 LYS HA 1 73 ILE MD . . 6.700 3.035 3.035 3.035 . 0 0 "[ ]" 1
1351 1 70 LYS HA 1 73 ILE QG . . 3.000 3.530 3.530 3.530 0.530 1 1 [+] 1
1352 1 70 LYS HA 1 73 ILE MG . . 5.800 3.407 3.407 3.407 . 0 0 "[ ]" 1
1353 1 70 LYS QB 1 71 THR H . . 5.300 2.887 2.887 2.887 . 0 0 "[ ]" 1
1354 1 71 THR H 1 71 THR HA . . 3.000 2.882 2.882 2.882 . 0 0 "[ ]" 1
1355 1 71 THR H 1 71 THR HB . . 3.300 2.524 2.524 2.524 . 0 0 "[ ]" 1
1356 1 71 THR H 1 72 PHE CG . . 6.800 5.433 5.433 5.433 . 0 0 "[ ]" 1
1357 1 71 THR H 1 72 PHE CZ . . 8.000 7.092 7.092 7.092 . 0 0 "[ ]" 1
1358 1 71 THR H 1 72 PHE H . . 3.000 2.516 2.516 2.516 . 0 0 "[ ]" 1
1359 1 71 THR H 1 73 ILE H . . 3.900 3.930 3.930 3.930 0.030 1 0 "[ ]" 1
1360 1 71 THR HA 1 71 THR MG . . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
1361 1 71 THR HA 1 72 PHE H . . 3.400 3.451 3.451 3.451 0.051 1 0 "[ ]" 1
1362 1 71 THR HA 1 73 ILE H . . 5.600 3.788 3.788 3.788 . 0 0 "[ ]" 1
1363 1 71 THR HB 1 72 PHE CG . . 6.200 4.443 4.443 4.443 . 0 0 "[ ]" 1
1364 1 71 THR HB 1 72 PHE H . . 4.200 3.110 3.110 3.110 . 0 0 "[ ]" 1
1365 1 71 THR MG 1 72 PHE CG . . 7.100 4.368 4.368 4.368 . 0 0 "[ ]" 1
1366 1 71 THR MG 1 72 PHE CZ . . 7.200 4.623 4.623 4.623 . 0 0 "[ ]" 1
1367 1 71 THR MG 1 72 PHE H . . 6.800 3.887 3.887 3.887 . 0 0 "[ ]" 1
1368 1 71 THR MG 1 72 PHE HZ . . 6.000 5.033 5.033 5.033 . 0 0 "[ ]" 1
1369 1 72 PHE H 1 73 ILE H . . 2.900 2.416 2.416 2.416 . 0 0 "[ ]" 1
1370 1 72 PHE H 1 73 ILE HA . . 5.300 4.672 4.672 4.672 . 0 0 "[ ]" 1
1371 1 72 PHE H 1 73 ILE HB . . 4.700 4.161 4.161 4.161 . 0 0 "[ ]" 1
1372 1 72 PHE H 1 73 ILE MD . . 7.000 5.848 5.848 5.848 . 0 0 "[ ]" 1
1373 1 72 PHE H 1 73 ILE QG . . 5.300 5.383 5.383 5.383 0.083 1 0 "[ ]" 1
1374 1 72 PHE QB 1 73 ILE H . . 4.900 3.588 3.588 3.588 . 0 0 "[ ]" 1
1375 1 73 ILE H 1 73 ILE HB . . 2.500 2.270 2.270 2.270 . 0 0 "[ ]" 1
1376 1 73 ILE H 1 73 ILE MD . . 5.300 4.322 4.322 4.322 . 0 0 "[ ]" 1
1377 1 73 ILE H 1 73 ILE QG . . 4.600 3.776 3.776 3.776 . 0 0 "[ ]" 1
1378 1 73 ILE H 1 73 ILE MG . . 3.900 2.727 2.727 2.727 . 0 0 "[ ]" 1
1379 1 73 ILE H 1 74 ILE H . . 5.100 4.585 4.585 4.585 . 0 0 "[ ]" 1
1380 1 73 ILE HA 1 73 ILE MD . . 4.300 3.652 3.652 3.652 . 0 0 "[ ]" 1
1381 1 73 ILE HA 1 73 ILE QG . . 3.700 2.108 2.108 2.108 . 0 0 "[ ]" 1
1382 1 73 ILE HA 1 74 ILE H . . 2.700 2.186 2.186 2.186 . 0 0 "[ ]" 1
1383 1 73 ILE HA 1 74 ILE HA . . 5.700 4.477 4.477 4.477 . 0 0 "[ ]" 1
1384 1 73 ILE HA 1 74 ILE MD . . 6.700 5.271 5.271 5.271 . 0 0 "[ ]" 1
1385 1 73 ILE HA 1 74 ILE HG12 . . 4.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
1386 1 73 ILE HA 1 74 ILE HG13 . . 4.500 4.539 4.539 4.539 0.039 1 0 "[ ]" 1
1387 1 73 ILE HA 1 74 ILE MG . . 7.000 3.995 3.995 3.995 . 0 0 "[ ]" 1
1388 1 73 ILE HA 1 75 GLY H . . 4.200 3.633 3.633 3.633 . 0 0 "[ ]" 1
1389 1 73 ILE HB 1 73 ILE QG . . 2.600 2.251 2.251 2.251 . 0 0 "[ ]" 1
1390 1 73 ILE HB 1 74 ILE H . . 4.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
1391 1 73 ILE MD 1 74 ILE H . . 6.100 4.453 4.453 4.453 . 0 0 "[ ]" 1
1392 1 73 ILE MD 1 75 GLY H . . 5.400 4.055 4.055 4.055 . 0 0 "[ ]" 1
1393 1 73 ILE MD 1 75 GLY HA2 . . 4.900 4.144 4.144 4.144 . 0 0 "[ ]" 1
1394 1 73 ILE MD 1 75 GLY HA3 . . 7.000 5.387 5.387 5.387 . 0 0 "[ ]" 1
1395 1 73 ILE QG 1 74 ILE H . . 4.300 2.778 2.778 2.778 . 0 0 "[ ]" 1
1396 1 73 ILE QG 1 75 GLY H . . 4.500 2.583 2.583 2.583 . 0 0 "[ ]" 1
1397 1 73 ILE MG 1 74 ILE H . . 4.300 3.612 3.612 3.612 . 0 0 "[ ]" 1
1398 1 73 ILE MG 1 75 GLY H . . 6.600 3.685 3.685 3.685 . 0 0 "[ ]" 1
1399 1 74 ILE H 1 74 ILE HB . . 3.700 3.680 3.680 3.680 . 0 0 "[ ]" 1
1400 1 74 ILE H 1 74 ILE MD . . 4.400 3.724 3.724 3.724 . 0 0 "[ ]" 1
1401 1 74 ILE H 1 74 ILE HG12 . . 3.400 2.158 2.158 2.158 . 0 0 "[ ]" 1
1402 1 74 ILE H 1 74 ILE HG13 . . 3.400 2.442 2.442 2.442 . 0 0 "[ ]" 1
1403 1 74 ILE H 1 74 ILE MG . . 4.600 2.922 2.922 2.922 . 0 0 "[ ]" 1
1404 1 74 ILE H 1 75 GLY H . . 2.800 2.041 2.041 2.041 . 0 0 "[ ]" 1
1405 1 74 ILE HA 1 74 ILE HB . . 3.000 2.484 2.484 2.484 . 0 0 "[ ]" 1
1406 1 74 ILE HA 1 74 ILE MG . . 3.500 2.215 2.215 2.215 . 0 0 "[ ]" 1
1407 1 74 ILE HA 1 75 GLY H . . 4.300 3.570 3.570 3.570 . 0 0 "[ ]" 1
1408 1 74 ILE HB 1 74 ILE MD . . 3.500 2.277 2.277 2.277 . 0 0 "[ ]" 1
1409 1 74 ILE HB 1 75 GLY H . . 4.100 3.923 3.923 3.923 . 0 0 "[ ]" 1
1410 1 74 ILE MD 1 75 GLY H . . 5.500 4.029 4.029 4.029 . 0 0 "[ ]" 1
1411 1 74 ILE HG12 1 75 GLY H . . 3.800 3.352 3.352 3.352 . 0 0 "[ ]" 1
1412 1 74 ILE HG13 1 75 GLY H . . 4.000 2.338 2.338 2.338 . 0 0 "[ ]" 1
1413 1 74 ILE MG 1 75 GLY H . . 6.300 4.215 4.215 4.215 . 0 0 "[ ]" 1
1414 1 75 GLY H 1 76 GLU H . . 4.200 4.218 4.218 4.218 0.018 1 0 "[ ]" 1
1415 1 75 GLY HA2 1 76 GLU H . . 3.100 2.832 2.832 2.832 . 0 0 "[ ]" 1
1416 1 75 GLY HA3 1 76 GLU H . . 3.000 2.253 2.253 2.253 . 0 0 "[ ]" 1
1417 1 75 GLY HA3 1 76 GLU HB2 . . 4.700 4.541 4.541 4.541 . 0 0 "[ ]" 1
1418 1 76 GLU H 1 76 GLU HB2 . . 3.700 2.567 2.567 2.567 . 0 0 "[ ]" 1
1419 1 76 GLU H 1 76 GLU HB3 . . 3.300 3.499 3.499 3.499 0.199 1 0 "[ ]" 1
1420 1 76 GLU HA 1 77 LEU H . . 3.100 2.310 2.310 2.310 . 0 0 "[ ]" 1
1421 1 76 GLU HB2 1 77 LEU H . . 3.600 3.833 3.833 3.833 0.233 1 0 "[ ]" 1
1422 1 76 GLU HB3 1 77 LEU H . . 3.800 2.443 2.443 2.443 . 0 0 "[ ]" 1
1423 1 76 GLU QG 1 77 LEU H . . 5.100 2.738 2.738 2.738 . 0 0 "[ ]" 1
1424 1 77 LEU H 1 77 LEU MD1 . . 5.400 4.101 4.101 4.101 . 0 0 "[ ]" 1
1425 1 77 LEU H 1 77 LEU MD2 . . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
1426 1 77 LEU H 1 77 LEU HG . . 5.300 4.383 4.383 4.383 . 0 0 "[ ]" 1
1427 1 77 LEU H 1 78 HIS H . . 4.600 4.577 4.577 4.577 . 0 0 "[ ]" 1
1428 1 77 LEU H 1 82 ARG HE . . 6.000 4.948 4.948 4.948 . 0 0 "[ ]" 1
1429 1 77 LEU HA 1 77 LEU MD1 . . 3.700 2.168 2.168 2.168 . 0 0 "[ ]" 1
1430 1 77 LEU HA 1 78 HIS H . . 2.900 2.202 2.202 2.202 . 0 0 "[ ]" 1
1431 1 77 LEU HA 1 78 HIS HB2 . . 5.000 4.341 4.341 4.341 . 0 0 "[ ]" 1
1432 1 77 LEU HA 1 78 HIS HB3 . . 5.300 4.989 4.989 4.989 . 0 0 "[ ]" 1
1433 1 77 LEU QB 1 78 HIS H . . 5.500 3.742 3.742 3.742 . 0 0 "[ ]" 1
1434 1 77 LEU MD1 1 78 HIS H . . 3.900 2.387 2.387 2.387 . 0 0 "[ ]" 1
1435 1 77 LEU MD1 1 81 ASP H . . 5.400 4.497 4.497 4.497 . 0 0 "[ ]" 1
1436 1 77 LEU MD1 1 81 ASP HA . . 5.700 4.752 4.752 4.752 . 0 0 "[ ]" 1
1437 1 77 LEU MD1 1 81 ASP HB2 . . 4.800 2.888 2.888 2.888 . 0 0 "[ ]" 1
1438 1 77 LEU MD2 1 78 HIS H . . 5.200 4.403 4.403 4.403 . 0 0 "[ ]" 1
1439 1 77 LEU MD2 1 81 ASP H . . 5.300 4.421 4.421 4.421 . 0 0 "[ ]" 1
1440 1 77 LEU MD2 1 81 ASP HA . . 6.000 4.735 4.735 4.735 . 0 0 "[ ]" 1
1441 1 77 LEU MD2 1 81 ASP HB2 . . 7.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
1442 1 77 LEU MD2 1 81 ASP HB3 . . 4.100 2.533 2.533 2.533 . 0 0 "[ ]" 1
1443 1 77 LEU MD2 1 82 ARG HA . . 4.100 3.303 3.303 3.303 . 0 0 "[ ]" 1
1444 1 77 LEU MD2 1 82 ARG HE . . 5.200 3.283 3.283 3.283 . 0 0 "[ ]" 1
1445 1 77 LEU HG 1 78 HIS H . . 4.500 2.917 2.917 2.917 . 0 0 "[ ]" 1
1446 1 77 LEU HG 1 81 ASP H . . 4.500 3.909 3.909 3.909 . 0 0 "[ ]" 1
1447 1 77 LEU HG 1 81 ASP HB3 . . 3.800 2.201 2.201 2.201 . 0 0 "[ ]" 1
1448 1 77 LEU HG 1 82 ARG H . . 5.900 3.623 3.623 3.623 . 0 0 "[ ]" 1
1449 1 77 LEU HG 1 82 ARG HE . . 5.800 3.430 3.430 3.430 . 0 0 "[ ]" 1
1450 1 78 HIS H 1 78 HIS HA . . 3.100 2.795 2.795 2.795 . 0 0 "[ ]" 1
1451 1 78 HIS H 1 78 HIS HB2 . . 3.100 2.236 2.236 2.236 . 0 0 "[ ]" 1
1452 1 78 HIS H 1 78 HIS HB3 . . 3.500 2.831 2.831 2.831 . 0 0 "[ ]" 1
1453 1 78 HIS H 1 78 HIS HD2 . . 5.300 4.441 4.441 4.441 . 0 0 "[ ]" 1
1454 1 78 HIS HA 1 78 HIS HD2 . . 4.100 3.035 3.035 3.035 . 0 0 "[ ]" 1
1455 1 78 HIS HA 1 79 PRO QG . . 4.400 3.957 3.957 3.957 . 0 0 "[ ]" 1
1456 1 78 HIS HA 1 80 ASP H . . 5.300 3.780 3.780 3.780 . 0 0 "[ ]" 1
1457 1 78 HIS HA 1 81 ASP HB3 . . 5.700 5.336 5.336 5.336 . 0 0 "[ ]" 1
1458 1 78 HIS HA 1 82 ARG HE . . 6.000 5.012 5.012 5.012 . 0 0 "[ ]" 1
1459 1 78 HIS HB2 1 78 HIS HD2 . . 3.800 2.679 2.679 2.679 . 0 0 "[ ]" 1
1460 1 78 HIS HB2 1 80 ASP H . . 4.200 4.247 4.247 4.247 0.047 1 0 "[ ]" 1
1461 1 78 HIS HB3 1 80 ASP H . . 4.200 2.883 2.883 2.883 . 0 0 "[ ]" 1
1462 1 78 HIS HB3 1 81 ASP H . . 3.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
1463 1 78 HIS HE1 1 79 PRO QG . . 5.500 3.808 3.808 3.808 . 0 0 "[ ]" 1
1464 1 78 HIS HE1 1 80 ASP H . . 4.000 4.002 4.002 4.002 0.002 1 0 "[ ]" 1
1465 1 78 HIS HE1 1 80 ASP HA . . 5.300 5.225 5.225 5.225 . 0 0 "[ ]" 1
1466 1 78 HIS HE1 1 80 ASP HB2 . . 3.700 2.983 2.983 2.983 . 0 0 "[ ]" 1
1467 1 78 HIS HE1 1 80 ASP HB3 . . 4.000 3.971 3.971 3.971 . 0 0 "[ ]" 1
1468 1 78 HIS HE1 1 81 ASP H . . 6.000 6.041 6.041 6.041 0.041 1 0 "[ ]" 1
1469 1 79 PRO HA 1 79 PRO HB2 . . 2.700 2.749 2.749 2.749 0.049 1 0 "[ ]" 1
1470 1 79 PRO HA 1 79 PRO HB3 . . 2.600 2.281 2.281 2.281 . 0 0 "[ ]" 1
1471 1 79 PRO HA 1 80 ASP H . . 4.100 3.411 3.411 3.411 . 0 0 "[ ]" 1
1472 1 79 PRO HA 1 81 ASP H . . 4.200 3.843 3.843 3.843 . 0 0 "[ ]" 1
1473 1 79 PRO HA 1 82 ARG H . . 4.100 3.498 3.498 3.498 . 0 0 "[ ]" 1
1474 1 79 PRO HA 1 82 ARG HB3 . . 4.300 4.322 4.322 4.322 0.022 1 0 "[ ]" 1
1475 1 79 PRO HA 1 82 ARG HE . . 3.800 2.775 2.775 2.775 . 0 0 "[ ]" 1
1476 1 79 PRO HB2 1 80 ASP H . . 3.800 4.000 4.000 4.000 0.200 1 0 "[ ]" 1
1477 1 79 PRO HB2 1 80 ASP HA . . 4.500 4.553 4.553 4.553 0.053 1 0 "[ ]" 1
1478 1 79 PRO HB3 1 80 ASP H . . 4.900 4.546 4.546 4.546 . 0 0 "[ ]" 1
1479 1 79 PRO HB3 1 82 ARG HE . . 3.900 4.373 4.373 4.373 0.473 1 0 "[ ]" 1
1480 1 79 PRO QG 1 80 ASP H . . 5.500 3.125 3.125 3.125 . 0 0 "[ ]" 1
1481 1 79 PRO QG 1 80 ASP HB2 . . 7.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
1482 1 80 ASP H 1 80 ASP HA . . 3.100 2.933 2.933 2.933 . 0 0 "[ ]" 1
1483 1 80 ASP H 1 80 ASP HB2 . . 3.700 2.642 2.642 2.642 . 0 0 "[ ]" 1
1484 1 80 ASP H 1 80 ASP HB3 . . 3.100 2.525 2.525 2.525 . 0 0 "[ ]" 1
1485 1 80 ASP H 1 81 ASP H . . 3.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
1486 1 80 ASP H 1 81 ASP HA . . 6.000 5.016 5.016 5.016 . 0 0 "[ ]" 1
1487 1 80 ASP H 1 81 ASP HB2 . . 5.300 4.727 4.727 4.727 . 0 0 "[ ]" 1
1488 1 80 ASP H 1 82 ARG H . . 4.400 4.280 4.280 4.280 . 0 0 "[ ]" 1
1489 1 80 ASP HA 1 80 ASP HB2 . . 3.100 2.494 2.494 2.494 . 0 0 "[ ]" 1
1490 1 80 ASP HA 1 80 ASP HB3 . . 3.100 3.046 3.046 3.046 . 0 0 "[ ]" 1
1491 1 80 ASP HA 1 81 ASP H . . 3.600 3.538 3.538 3.538 . 0 0 "[ ]" 1
1492 1 80 ASP HA 1 82 ARG H . . 5.300 4.831 4.831 4.831 . 0 0 "[ ]" 1
1493 1 80 ASP HB3 1 81 ASP H . . 3.700 2.971 2.971 2.971 . 0 0 "[ ]" 1
1494 1 81 ASP H 1 81 ASP HB2 . . 3.400 2.697 2.697 2.697 . 0 0 "[ ]" 1
1495 1 81 ASP H 1 81 ASP HB3 . . 2.900 2.369 2.369 2.369 . 0 0 "[ ]" 1
1496 1 81 ASP H 1 82 ARG H . . 2.800 2.530 2.530 2.530 . 0 0 "[ ]" 1
1497 1 81 ASP H 1 82 ARG HB3 . . 4.300 4.795 4.795 4.795 0.495 1 0 "[ ]" 1
1498 1 81 ASP HA 1 81 ASP HB2 . . 2.900 2.428 2.428 2.428 . 0 0 "[ ]" 1
1499 1 81 ASP HA 1 81 ASP HB3 . . 3.000 3.025 3.025 3.025 0.025 1 0 "[ ]" 1
1500 1 81 ASP HA 1 82 ARG H . . 4.000 3.540 3.540 3.540 . 0 0 "[ ]" 1
1501 1 81 ASP HB2 1 82 ARG H . . 4.300 3.769 3.769 3.769 . 0 0 "[ ]" 1
1502 1 81 ASP HB3 1 82 ARG H . . 3.300 2.327 2.327 2.327 . 0 0 "[ ]" 1
1503 1 81 ASP HB3 1 82 ARG HE . . 4.200 4.247 4.247 4.247 0.047 1 0 "[ ]" 1
1504 1 82 ARG H 1 82 ARG HB2 . . 3.600 3.588 3.588 3.588 . 0 0 "[ ]" 1
1505 1 82 ARG H 1 82 ARG HB3 . . 3.900 2.479 2.479 2.479 . 0 0 "[ ]" 1
1506 1 82 ARG H 1 82 ARG HE . . 5.200 3.407 3.407 3.407 . 0 0 "[ ]" 1
1507 1 82 ARG HA 1 82 ARG HB2 . . 2.900 2.396 2.396 2.396 . 0 0 "[ ]" 1
1508 1 82 ARG HA 1 82 ARG HE . . 5.400 4.894 4.894 4.894 . 0 0 "[ ]" 1
1509 1 82 ARG HB2 1 82 ARG HE . . 4.900 3.743 3.743 3.743 . 0 0 "[ ]" 1
1510 1 82 ARG HB3 1 82 ARG HE . . 4.800 2.555 2.555 2.555 . 0 0 "[ ]" 1
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