NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381963 |
1j9o   |
5042 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j9o
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 1196
_Distance_constraint_stats_list.Viol_count 43
_Distance_constraint_stats_list.Viol_total 0.729
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0169
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.000 0.000 . 0 "[ ]"
1 2 GLY 0.000 0.000 . 0 "[ ]"
1 3 SER 0.002 0.001 1 0 "[ ]"
1 4 GLU 0.001 0.001 1 0 "[ ]"
1 5 VAL 0.000 0.000 1 0 "[ ]"
1 6 SER 0.008 0.008 1 0 "[ ]"
1 7 ASP 0.008 0.008 1 0 "[ ]"
1 8 LYS 0.000 0.000 1 0 "[ ]"
1 9 ARG 0.001 0.001 1 0 "[ ]"
1 10 THR 0.000 0.000 . 0 "[ ]"
1 11 CYS 0.003 0.003 1 0 "[ ]"
1 12 VAL 0.000 0.000 . 0 "[ ]"
1 13 SER 0.000 0.000 . 0 "[ ]"
1 14 LEU 0.042 0.040 1 0 "[ ]"
1 15 THR 0.000 0.000 . 0 "[ ]"
1 16 THR 0.000 0.000 . 0 "[ ]"
1 17 GLN 0.000 0.000 . 0 "[ ]"
1 18 ARG 0.009 0.009 1 0 "[ ]"
1 19 LEU 0.000 0.000 . 0 "[ ]"
1 20 PRO 0.000 0.000 . 0 "[ ]"
1 21 VAL 0.043 0.043 1 0 "[ ]"
1 22 SER 0.056 0.043 1 0 "[ ]"
1 23 ARG 0.022 0.022 1 0 "[ ]"
1 24 ILE 0.006 0.006 1 0 "[ ]"
1 25 LYS 0.044 0.019 1 0 "[ ]"
1 26 THR 0.011 0.011 1 0 "[ ]"
1 27 TYR 0.000 0.000 . 0 "[ ]"
1 28 THR 0.006 0.006 1 0 "[ ]"
1 29 ILE 0.000 0.000 . 0 "[ ]"
1 30 THR 0.000 0.000 . 0 "[ ]"
1 31 GLU 0.079 0.029 1 0 "[ ]"
1 32 GLY 0.087 0.030 1 0 "[ ]"
1 33 SER 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.030 0.030 1 0 "[ ]"
1 35 ARG 0.011 0.011 1 0 "[ ]"
1 36 ALA 0.000 0.000 . 0 "[ ]"
1 37 VAL 0.000 0.000 . 0 "[ ]"
1 38 ILE 0.006 0.006 1 0 "[ ]"
1 39 PHE 0.000 0.000 . 0 "[ ]"
1 40 ILE 0.000 0.000 . 0 "[ ]"
1 41 THR 0.002 0.002 1 0 "[ ]"
1 42 LYS 0.014 0.014 1 0 "[ ]"
1 43 ARG 0.000 0.000 . 0 "[ ]"
1 44 GLY 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.002 0.002 1 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 VAL 0.015 0.015 1 0 "[ ]"
1 48 CYS 0.024 0.015 1 0 "[ ]"
1 49 ALA 0.000 0.000 . 0 "[ ]"
1 50 ASP 0.001 0.001 1 0 "[ ]"
1 51 PRO 0.000 0.000 . 0 "[ ]"
1 52 GLN 0.026 0.023 1 0 "[ ]"
1 53 ALA 0.000 0.000 . 0 "[ ]"
1 54 THR 0.000 0.000 . 0 "[ ]"
1 55 TRP 0.000 0.000 . 0 "[ ]"
1 56 VAL 0.023 0.023 1 0 "[ ]"
1 57 ARG 0.056 0.056 1 0 "[ ]"
1 58 ASP 0.095 0.056 1 0 "[ ]"
1 59 VAL 0.088 0.061 1 0 "[ ]"
1 60 VAL 0.039 0.039 1 0 "[ ]"
1 61 ARG 0.061 0.061 1 0 "[ ]"
1 62 SER 0.009 0.005 1 0 "[ ]"
1 63 MET 0.012 0.006 1 0 "[ ]"
1 64 ASP 0.006 0.006 1 0 "[ ]"
1 65 ARG 0.027 0.027 1 0 "[ ]"
1 66 LYS 0.005 0.005 1 0 "[ ]"
1 67 SER 0.000 0.000 . 0 "[ ]"
1 68 ASN 0.064 0.039 1 0 "[ ]"
1 69 THR 0.000 0.000 . 0 "[ ]"
1 70 ARG 0.000 0.000 . 0 "[ ]"
1 71 ASN 0.000 0.000 . 0 "[ ]"
1 72 ASN 0.082 0.082 1 0 "[ ]"
1 73 MET 0.000 0.000 . 0 "[ ]"
1 74 ILE 0.000 0.000 . 0 "[ ]"
1 75 GLN 0.000 0.000 . 0 "[ ]"
1 76 THR 0.000 0.000 . 0 "[ ]"
1 77 LYS 0.000 0.000 . 0 "[ ]"
1 78 PRO 0.000 0.000 . 0 "[ ]"
1 79 THR 0.000 0.000 1 0 "[ ]"
1 80 GLY 0.000 0.000 1 0 "[ ]"
1 81 THR 0.000 0.000 . 0 "[ ]"
1 82 GLN 0.000 0.000 . 0 "[ ]"
1 83 GLN 0.000 0.000 . 0 "[ ]"
1 84 SER 0.000 0.000 . 0 "[ ]"
1 85 THR 0.000 0.000 . 0 "[ ]"
1 86 ASN 0.000 0.000 . 0 "[ ]"
1 87 THR 0.000 0.000 . 0 "[ ]"
1 88 ALA 0.000 0.000 . 0 "[ ]"
1 89 VAL 0.000 0.000 . 0 "[ ]"
1 90 THR 0.000 0.000 . 0 "[ ]"
1 91 LEU 0.000 0.000 . 0 "[ ]"
1 92 THR 0.005 0.005 1 0 "[ ]"
1 93 GLY 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL QG 1 2 GLY QA . . 8.040 3.480 3.480 3.480 . 0 0 "[ ]" 1
2 1 1 VAL MG1 1 2 GLY HA2 . . 12.770 3.840 3.840 3.840 . 0 0 "[ ]" 1
3 1 1 VAL MG1 1 2 GLY HA3 . . 12.770 4.162 4.162 4.162 . 0 0 "[ ]" 1
4 1 1 VAL MG2 1 2 GLY HA2 . . 12.770 5.677 5.677 5.677 . 0 0 "[ ]" 1
5 1 1 VAL MG2 1 2 GLY HA3 . . 12.770 5.712 5.712 5.712 . 0 0 "[ ]" 1
6 1 2 GLY QA 1 3 SER H . . 2.890 2.326 2.326 2.326 . 0 0 "[ ]" 1
7 1 2 GLY HA2 1 3 SER H . . 3.110 2.535 2.535 2.535 . 0 0 "[ ]" 1
8 1 2 GLY HA3 1 3 SER H . . 3.110 2.707 2.707 2.707 . 0 0 "[ ]" 1
9 1 3 SER H 1 3 SER HB2 . . 3.760 2.469 2.469 2.469 . 0 0 "[ ]" 1
10 1 3 SER H 1 3 SER HB3 . . 3.760 3.337 3.337 3.337 . 0 0 "[ ]" 1
11 1 3 SER HA 1 3 SER HB2 . . 2.900 2.901 2.901 2.901 0.001 1 0 "[ ]" 1
12 1 3 SER HA 1 3 SER HB3 . . 2.900 2.859 2.859 2.859 . 0 0 "[ ]" 1
13 1 3 SER HA 1 4 GLU QG . . 6.380 4.719 4.719 4.719 . 0 0 "[ ]" 1
14 1 3 SER QB 1 4 GLU QB . . 6.320 4.488 4.488 4.488 . 0 0 "[ ]" 1
15 1 3 SER HB2 1 4 GLU H . . 3.790 3.791 3.791 3.791 0.001 1 0 "[ ]" 1
16 1 3 SER HB2 1 4 GLU HB2 . . 7.250 7.108 7.108 7.108 . 0 0 "[ ]" 1
17 1 3 SER HB2 1 4 GLU HB3 . . 7.250 6.403 6.403 6.403 . 0 0 "[ ]" 1
18 1 3 SER HB2 1 5 VAL QG . . 7.620 5.700 5.700 5.700 . 0 0 "[ ]" 1
19 1 3 SER HB3 1 4 GLU H . . 3.790 2.349 2.349 2.349 . 0 0 "[ ]" 1
20 1 3 SER HB3 1 4 GLU HB2 . . 7.250 5.540 5.540 5.540 . 0 0 "[ ]" 1
21 1 3 SER HB3 1 4 GLU HB3 . . 7.250 4.980 4.980 4.980 . 0 0 "[ ]" 1
22 1 3 SER HB3 1 5 VAL QG . . 7.620 5.168 5.168 5.168 . 0 0 "[ ]" 1
23 1 4 GLU H 1 4 GLU QB . . 3.090 2.609 2.609 2.609 . 0 0 "[ ]" 1
24 1 4 GLU H 1 4 GLU HG2 . . 4.260 2.223 2.223 2.223 . 0 0 "[ ]" 1
25 1 4 GLU H 1 4 GLU HG3 . . 4.260 3.628 3.628 3.628 . 0 0 "[ ]" 1
26 1 4 GLU HA 1 5 VAL H . . 2.650 2.246 2.246 2.246 . 0 0 "[ ]" 1
27 1 4 GLU HA 1 5 VAL QG . . 7.620 3.829 3.829 3.829 . 0 0 "[ ]" 1
28 1 4 GLU QB 1 5 VAL H . . 4.030 3.112 3.112 3.112 . 0 0 "[ ]" 1
29 1 4 GLU HB2 1 5 VAL H . . 4.260 3.207 3.207 3.207 . 0 0 "[ ]" 1
30 1 4 GLU HB2 1 5 VAL QG . . 7.620 4.831 4.831 4.831 . 0 0 "[ ]" 1
31 1 4 GLU HB3 1 5 VAL H . . 4.260 4.202 4.202 4.202 . 0 0 "[ ]" 1
32 1 4 GLU HB3 1 5 VAL QG . . 7.620 5.571 5.571 5.571 . 0 0 "[ ]" 1
33 1 4 GLU HG2 1 5 VAL H . . 5.500 4.458 4.458 4.458 . 0 0 "[ ]" 1
34 1 4 GLU HG2 1 5 VAL QG . . 7.620 5.161 5.161 5.161 . 0 0 "[ ]" 1
35 1 4 GLU HG3 1 5 VAL H . . 5.500 4.764 4.764 4.764 . 0 0 "[ ]" 1
36 1 4 GLU HG3 1 5 VAL QG . . 7.620 5.591 5.591 5.591 . 0 0 "[ ]" 1
37 1 5 VAL H 1 5 VAL HB . . 3.020 2.974 2.974 2.974 . 0 0 "[ ]" 1
38 1 5 VAL HA 1 6 SER H . . 2.740 2.617 2.617 2.617 . 0 0 "[ ]" 1
39 1 5 VAL HA 1 6 SER QB . . 4.830 4.259 4.259 4.259 . 0 0 "[ ]" 1
40 1 5 VAL HA 1 7 ASP H . . 3.080 3.041 3.041 3.041 . 0 0 "[ ]" 1
41 1 5 VAL HA 1 8 LYS H . . 3.300 3.300 3.300 3.300 0.000 1 0 "[ ]" 1
42 1 5 VAL QG 1 6 SER H . . 7.310 1.793 1.793 1.793 . 0 0 "[ ]" 1
43 1 5 VAL QG 1 7 ASP H . . 7.620 3.606 3.606 3.606 . 0 0 "[ ]" 1
44 1 5 VAL QG 1 7 ASP QB . . 8.500 4.780 4.780 4.780 . 0 0 "[ ]" 1
45 1 6 SER H 1 6 SER QB . . 3.750 3.152 3.152 3.152 . 0 0 "[ ]" 1
46 1 6 SER QB 1 7 ASP HA . . 4.860 3.995 3.995 3.995 . 0 0 "[ ]" 1
47 1 6 SER HB2 1 7 ASP H . . 3.790 3.798 3.798 3.798 0.008 1 0 "[ ]" 1
48 1 6 SER HB3 1 7 ASP H . . 3.790 3.135 3.135 3.135 . 0 0 "[ ]" 1
49 1 7 ASP H 1 7 ASP QB . . 3.570 2.212 2.212 2.212 . 0 0 "[ ]" 1
50 1 7 ASP H 1 8 LYS H . . 3.050 2.301 2.301 2.301 . 0 0 "[ ]" 1
51 1 7 ASP H 1 8 LYS HG2 . . 5.470 3.729 3.729 3.729 . 0 0 "[ ]" 1
52 1 7 ASP H 1 8 LYS QG . . 5.300 3.669 3.669 3.669 . 0 0 "[ ]" 1
53 1 7 ASP H 1 8 LYS HG3 . . 5.470 5.451 5.451 5.451 . 0 0 "[ ]" 1
54 1 7 ASP QB 1 8 LYS H . . 3.380 2.351 2.351 2.351 . 0 0 "[ ]" 1
55 1 7 ASP HB2 1 8 LYS H . . 3.670 2.426 2.426 2.426 . 0 0 "[ ]" 1
56 1 7 ASP HB3 1 8 LYS H . . 3.670 3.151 3.151 3.151 . 0 0 "[ ]" 1
57 1 8 LYS H 1 8 LYS QB . . 3.730 2.293 2.293 2.293 . 0 0 "[ ]" 1
58 1 8 LYS H 1 8 LYS HG2 . . 4.570 2.461 2.461 2.461 . 0 0 "[ ]" 1
59 1 8 LYS H 1 8 LYS QG . . 4.390 2.433 2.433 2.433 . 0 0 "[ ]" 1
60 1 8 LYS H 1 8 LYS HG3 . . 4.570 3.834 3.834 3.834 . 0 0 "[ ]" 1
61 1 8 LYS QB 1 9 ARG H . . 3.900 2.270 2.270 2.270 . 0 0 "[ ]" 1
62 1 8 LYS QD 1 9 ARG H . . 5.730 4.798 4.798 4.798 . 0 0 "[ ]" 1
63 1 8 LYS HG2 1 9 ARG H . . 3.830 3.830 3.830 3.830 . 0 0 "[ ]" 1
64 1 8 LYS HG3 1 9 ARG H . . 3.830 3.034 3.034 3.034 . 0 0 "[ ]" 1
65 1 9 ARG H 1 9 ARG HB2 . . 2.870 2.846 2.846 2.846 . 0 0 "[ ]" 1
66 1 9 ARG H 1 9 ARG HB3 . . 2.870 2.871 2.871 2.871 0.001 1 0 "[ ]" 1
67 1 9 ARG H 1 9 ARG QD . . 5.170 4.550 4.550 4.550 . 0 0 "[ ]" 1
68 1 9 ARG H 1 9 ARG QG . . 4.950 4.131 4.131 4.131 . 0 0 "[ ]" 1
69 1 9 ARG H 1 10 THR H . . 3.020 2.268 2.268 2.268 . 0 0 "[ ]" 1
70 1 9 ARG HA 1 9 ARG QD . . 4.300 3.144 3.144 3.144 . 0 0 "[ ]" 1
71 1 9 ARG QB 1 9 ARG QD . . 3.460 2.131 2.131 2.131 . 0 0 "[ ]" 1
72 1 9 ARG QB 1 10 THR MG . . 6.630 4.623 4.623 4.623 . 0 0 "[ ]" 1
73 1 9 ARG HB2 1 9 ARG QD . . 3.650 2.180 2.180 2.180 . 0 0 "[ ]" 1
74 1 9 ARG HB2 1 10 THR H . . 3.700 3.391 3.391 3.391 . 0 0 "[ ]" 1
75 1 9 ARG HB3 1 9 ARG QD . . 3.650 3.008 3.008 3.008 . 0 0 "[ ]" 1
76 1 9 ARG HB3 1 10 THR H . . 3.700 2.105 2.105 2.105 . 0 0 "[ ]" 1
77 1 9 ARG QG 1 10 THR H . . 6.380 3.679 3.679 3.679 . 0 0 "[ ]" 1
78 1 10 THR H 1 10 THR HB . . 2.900 2.397 2.397 2.397 . 0 0 "[ ]" 1
79 1 10 THR H 1 11 CYS H . . 3.300 1.937 1.937 1.937 . 0 0 "[ ]" 1
80 1 10 THR H 1 38 ILE MD . . 6.160 5.026 5.026 5.026 . 0 0 "[ ]" 1
81 1 10 THR HA 1 10 THR MG . . 3.430 2.579 2.579 2.579 . 0 0 "[ ]" 1
82 1 10 THR HB 1 11 CYS H . . 3.020 2.867 2.867 2.867 . 0 0 "[ ]" 1
83 1 10 THR MG 1 11 CYS H . . 4.920 3.203 3.203 3.203 . 0 0 "[ ]" 1
84 1 10 THR MG 1 11 CYS QB . . 7.400 2.737 2.737 2.737 . 0 0 "[ ]" 1
85 1 10 THR MG 1 48 CYS HA . . 5.570 4.154 4.154 4.154 . 0 0 "[ ]" 1
86 1 10 THR MG 1 48 CYS HB2 . . 6.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
87 1 10 THR MG 1 48 CYS QB . . 5.720 3.836 3.836 3.836 . 0 0 "[ ]" 1
88 1 10 THR MG 1 48 CYS HB3 . . 6.000 4.054 4.054 4.054 . 0 0 "[ ]" 1
89 1 11 CYS CB 1 48 CYS CB . . 3.990 3.993 3.993 3.993 0.003 1 0 "[ ]" 1
90 1 11 CYS H 1 38 ILE MD . . 6.220 4.529 4.529 4.529 . 0 0 "[ ]" 1
91 1 11 CYS HA 1 12 VAL H . . 3.050 2.916 2.916 2.916 . 0 0 "[ ]" 1
92 1 11 CYS QB 1 12 VAL H . . 5.070 1.982 1.982 1.982 . 0 0 "[ ]" 1
93 1 11 CYS QB 1 48 CYS HB2 . . 6.380 4.040 4.040 4.040 . 0 0 "[ ]" 1
94 1 11 CYS QB 1 48 CYS QB . . 6.180 3.756 3.756 3.756 . 0 0 "[ ]" 1
95 1 11 CYS QB 1 48 CYS HB3 . . 6.380 4.467 4.467 4.467 . 0 0 "[ ]" 1
96 1 11 CYS SG 1 48 CYS SG . . 2.100 1.720 1.720 1.720 . 0 0 "[ ]" 1
97 1 12 VAL H 1 12 VAL HB . . 3.390 2.333 2.333 2.333 . 0 0 "[ ]" 1
98 1 12 VAL H 1 13 SER H . . 2.990 2.782 2.782 2.782 . 0 0 "[ ]" 1
99 1 12 VAL H 1 47 VAL HA . . 4.170 4.165 4.165 4.165 . 0 0 "[ ]" 1
100 1 12 VAL HB 1 13 SER H . . 3.420 2.036 2.036 2.036 . 0 0 "[ ]" 1
101 1 12 VAL QG 1 13 SER H . . 6.660 2.553 2.553 2.553 . 0 0 "[ ]" 1
102 1 12 VAL QG 1 13 SER HA . . 7.620 3.481 3.481 3.481 . 0 0 "[ ]" 1
103 1 12 VAL QG 1 13 SER QB . . 8.500 2.591 2.591 2.591 . 0 0 "[ ]" 1
104 1 13 SER HA 1 14 LEU QD . . 7.290 4.649 4.649 4.649 . 0 0 "[ ]" 1
105 1 13 SER HA 1 14 LEU HG . . 4.480 4.355 4.355 4.355 . 0 0 "[ ]" 1
106 1 13 SER QB 1 14 LEU H . . 4.240 1.948 1.948 1.948 . 0 0 "[ ]" 1
107 1 14 LEU H 1 14 LEU QB . . 3.670 2.264 2.264 2.264 . 0 0 "[ ]" 1
108 1 14 LEU H 1 14 LEU MD1 . . 5.540 4.204 4.204 4.204 . 0 0 "[ ]" 1
109 1 14 LEU H 1 14 LEU QD . . 5.130 3.711 3.711 3.711 . 0 0 "[ ]" 1
110 1 14 LEU H 1 14 LEU MD2 . . 5.540 4.130 4.130 4.130 . 0 0 "[ ]" 1
111 1 14 LEU H 1 14 LEU HG . . 3.640 3.576 3.576 3.576 . 0 0 "[ ]" 1
112 1 14 LEU HA 1 14 LEU HB2 . . 3.020 2.958 2.958 2.958 . 0 0 "[ ]" 1
113 1 14 LEU HA 1 14 LEU HB3 . . 3.020 2.701 2.701 2.701 . 0 0 "[ ]" 1
114 1 14 LEU HA 1 14 LEU HG . . 3.890 2.760 2.760 2.760 . 0 0 "[ ]" 1
115 1 14 LEU HA 1 15 THR H . . 2.960 2.198 2.198 2.198 . 0 0 "[ ]" 1
116 1 14 LEU HA 1 49 ALA MB . . 5.810 4.396 4.396 4.396 . 0 0 "[ ]" 1
117 1 14 LEU QB 1 14 LEU HG . . 2.560 2.350 2.350 2.350 . 0 0 "[ ]" 1
118 1 14 LEU QB 1 15 THR H . . 4.920 3.727 3.727 3.727 . 0 0 "[ ]" 1
119 1 14 LEU QB 1 50 ASP H . . 4.550 3.250 3.250 3.250 . 0 0 "[ ]" 1
120 1 14 LEU HB2 1 14 LEU HG . . 2.990 2.448 2.448 2.448 . 0 0 "[ ]" 1
121 1 14 LEU HB2 1 50 ASP H . . 5.040 5.041 5.041 5.041 0.001 1 0 "[ ]" 1
122 1 14 LEU HB3 1 14 LEU HG . . 2.990 3.030 3.030 3.030 0.040 1 0 "[ ]" 1
123 1 14 LEU HB3 1 50 ASP H . . 5.040 3.291 3.291 3.291 . 0 0 "[ ]" 1
124 1 14 LEU QD 1 15 THR H . . 6.050 3.076 3.076 3.076 . 0 0 "[ ]" 1
125 1 14 LEU QD 1 37 VAL H . . 7.510 3.439 3.439 3.439 . 0 0 "[ ]" 1
126 1 14 LEU QD 1 48 CYS QB . . 6.700 1.858 1.858 1.858 . 0 0 "[ ]" 1
127 1 14 LEU QD 1 50 ASP H . . 5.340 3.009 3.009 3.009 . 0 0 "[ ]" 1
128 1 14 LEU QD 1 50 ASP HA . . 6.210 2.696 2.696 2.696 . 0 0 "[ ]" 1
129 1 14 LEU QD 1 50 ASP QB . . 5.270 3.341 3.341 3.341 . 0 0 "[ ]" 1
130 1 14 LEU QD 1 51 PRO QD . . 5.920 3.333 3.333 3.333 . 0 0 "[ ]" 1
131 1 14 LEU QD 1 56 VAL MG1 . . 9.130 5.260 5.260 5.260 . 0 0 "[ ]" 1
132 1 14 LEU MD1 1 15 THR H . . 6.530 5.282 5.282 5.282 . 0 0 "[ ]" 1
133 1 14 LEU MD1 1 48 CYS HB2 . . 8.640 4.482 4.482 4.482 . 0 0 "[ ]" 1
134 1 14 LEU MD1 1 48 CYS HB3 . . 8.640 4.759 4.759 4.759 . 0 0 "[ ]" 1
135 1 14 LEU MD1 1 49 ALA HA . . 5.570 4.501 4.501 4.501 . 0 0 "[ ]" 1
136 1 14 LEU MD1 1 50 ASP H . . 5.690 4.074 4.074 4.074 . 0 0 "[ ]" 1
137 1 14 LEU MD1 1 50 ASP HB2 . . 6.920 3.875 3.875 3.875 . 0 0 "[ ]" 1
138 1 14 LEU MD1 1 50 ASP HB3 . . 6.920 4.314 4.314 4.314 . 0 0 "[ ]" 1
139 1 14 LEU MD1 1 51 PRO HD2 . . 6.530 4.452 4.452 4.452 . 0 0 "[ ]" 1
140 1 14 LEU MD1 1 51 PRO HD3 . . 6.530 4.246 4.246 4.246 . 0 0 "[ ]" 1
141 1 14 LEU MD2 1 15 THR H . . 6.530 3.096 3.096 3.096 . 0 0 "[ ]" 1
142 1 14 LEU MD2 1 48 CYS HB2 . . 8.640 1.954 1.954 1.954 . 0 0 "[ ]" 1
143 1 14 LEU MD2 1 48 CYS HB3 . . 8.640 2.338 2.338 2.338 . 0 0 "[ ]" 1
144 1 14 LEU MD2 1 49 ALA HA . . 5.570 2.136 2.136 2.136 . 0 0 "[ ]" 1
145 1 14 LEU MD2 1 50 ASP H . . 5.690 3.099 3.099 3.099 . 0 0 "[ ]" 1
146 1 14 LEU MD2 1 50 ASP HB2 . . 6.920 4.164 4.164 4.164 . 0 0 "[ ]" 1
147 1 14 LEU MD2 1 50 ASP HB3 . . 6.920 4.854 4.854 4.854 . 0 0 "[ ]" 1
148 1 14 LEU MD2 1 51 PRO HD2 . . 6.530 4.698 4.698 4.698 . 0 0 "[ ]" 1
149 1 14 LEU MD2 1 51 PRO HD3 . . 6.530 3.791 3.791 3.791 . 0 0 "[ ]" 1
150 1 15 THR H 1 15 THR HA . . 2.560 2.226 2.226 2.226 . 0 0 "[ ]" 1
151 1 15 THR H 1 48 CYS H . . 4.380 3.890 3.890 3.890 . 0 0 "[ ]" 1
152 1 15 THR H 1 49 ALA HA . . 3.610 2.379 2.379 2.379 . 0 0 "[ ]" 1
153 1 15 THR H 1 49 ALA MB . . 6.370 3.195 3.195 3.195 . 0 0 "[ ]" 1
154 1 15 THR HA 1 17 GLN H . . 3.580 2.966 2.966 2.966 . 0 0 "[ ]" 1
155 1 15 THR HA 1 49 ALA MB . . 5.070 2.797 2.797 2.797 . 0 0 "[ ]" 1
156 1 15 THR HB 1 16 THR H . . 3.420 2.027 2.027 2.027 . 0 0 "[ ]" 1
157 1 15 THR HB 1 16 THR HB . . 3.920 3.884 3.884 3.884 . 0 0 "[ ]" 1
158 1 15 THR MG 1 16 THR H . . 5.320 1.948 1.948 1.948 . 0 0 "[ ]" 1
159 1 15 THR MG 1 17 GLN H . . 4.670 2.839 2.839 2.839 . 0 0 "[ ]" 1
160 1 15 THR MG 1 47 VAL QG . . 7.470 4.362 4.362 4.362 . 0 0 "[ ]" 1
161 1 15 THR MG 1 49 ALA HA . . 4.730 3.669 3.669 3.669 . 0 0 "[ ]" 1
162 1 15 THR MG 1 49 ALA MB . . 5.730 2.703 2.703 2.703 . 0 0 "[ ]" 1
163 1 15 THR MG 1 50 ASP H . . 6.190 3.496 3.496 3.496 . 0 0 "[ ]" 1
164 1 15 THR MG 1 55 TRP HH2 . . 5.380 4.320 4.320 4.320 . 0 0 "[ ]" 1
165 1 15 THR MG 1 55 TRP HZ2 . . 4.610 2.401 2.401 2.401 . 0 0 "[ ]" 1
166 1 16 THR H 1 16 THR HB . . 3.480 3.213 3.213 3.213 . 0 0 "[ ]" 1
167 1 16 THR H 1 16 THR MG . . 4.570 3.808 3.808 3.808 . 0 0 "[ ]" 1
168 1 16 THR H 1 17 GLN H . . 2.620 2.585 2.585 2.585 . 0 0 "[ ]" 1
169 1 16 THR HA 1 16 THR HB . . 2.770 2.745 2.745 2.745 . 0 0 "[ ]" 1
170 1 16 THR HA 1 17 GLN H . . 3.450 3.346 3.346 3.346 . 0 0 "[ ]" 1
171 1 16 THR HA 1 17 GLN QG . . 6.380 4.937 4.937 4.937 . 0 0 "[ ]" 1
172 1 16 THR MG 1 17 GLN H . . 5.470 2.982 2.982 2.982 . 0 0 "[ ]" 1
173 1 17 GLN H 1 17 GLN QB . . 3.500 3.175 3.175 3.175 . 0 0 "[ ]" 1
174 1 17 GLN H 1 17 GLN QG . . 5.140 2.102 2.102 2.102 . 0 0 "[ ]" 1
175 1 17 GLN H 1 18 ARG H . . 3.730 3.626 3.626 3.626 . 0 0 "[ ]" 1
176 1 17 GLN HA 1 17 GLN HB2 . . 2.960 2.508 2.508 2.508 . 0 0 "[ ]" 1
177 1 17 GLN HA 1 17 GLN HB3 . . 2.960 2.432 2.432 2.432 . 0 0 "[ ]" 1
178 1 17 GLN HA 1 18 ARG H . . 2.430 2.297 2.297 2.297 . 0 0 "[ ]" 1
179 1 17 GLN HA 1 18 ARG QG . . 6.130 5.521 5.521 5.521 . 0 0 "[ ]" 1
180 1 17 GLN QG 1 18 ARG H . . 5.820 4.365 4.365 4.365 . 0 0 "[ ]" 1
181 1 17 GLN QG 1 18 ARG QG . . 7.250 5.799 5.799 5.799 . 0 0 "[ ]" 1
182 1 18 ARG H 1 18 ARG HA . . 2.900 2.770 2.770 2.770 . 0 0 "[ ]" 1
183 1 18 ARG H 1 18 ARG HB2 . . 3.020 2.066 2.066 2.066 . 0 0 "[ ]" 1
184 1 18 ARG H 1 18 ARG QB . . 2.830 2.033 2.033 2.033 . 0 0 "[ ]" 1
185 1 18 ARG H 1 18 ARG HB3 . . 3.020 3.029 3.029 3.029 0.009 1 0 "[ ]" 1
186 1 18 ARG H 1 18 ARG HG2 . . 4.510 4.163 4.163 4.163 . 0 0 "[ ]" 1
187 1 18 ARG H 1 18 ARG QG . . 4.300 3.610 3.610 3.610 . 0 0 "[ ]" 1
188 1 18 ARG H 1 18 ARG HG3 . . 4.510 3.960 3.960 3.960 . 0 0 "[ ]" 1
189 1 18 ARG HA 1 18 ARG QG . . 3.990 2.063 2.063 2.063 . 0 0 "[ ]" 1
190 1 18 ARG HA 1 19 LEU H . . 3.110 2.334 2.334 2.334 . 0 0 "[ ]" 1
191 1 18 ARG HA 1 19 LEU QB . . 5.350 4.222 4.222 4.222 . 0 0 "[ ]" 1
192 1 18 ARG HA 1 39 PHE QE . . 7.620 6.293 6.293 6.293 . 0 0 "[ ]" 1
193 1 18 ARG QB 1 18 ARG QG . . 2.470 2.088 2.088 2.088 . 0 0 "[ ]" 1
194 1 18 ARG QB 1 55 TRP QB . . 7.250 5.778 5.778 5.778 . 0 0 "[ ]" 1
195 1 18 ARG QD 1 55 TRP HB2 . . 6.380 4.127 4.127 4.127 . 0 0 "[ ]" 1
196 1 18 ARG QD 1 55 TRP HB3 . . 6.380 5.205 5.205 5.205 . 0 0 "[ ]" 1
197 1 18 ARG QG 1 19 LEU H . . 6.190 3.728 3.728 3.728 . 0 0 "[ ]" 1
198 1 18 ARG QG 1 55 TRP QB . . 6.040 4.088 4.088 4.088 . 0 0 "[ ]" 1
199 1 18 ARG QG 1 55 TRP HZ2 . . 6.220 2.830 2.830 2.830 . 0 0 "[ ]" 1
200 1 18 ARG HG2 1 55 TRP HB2 . . 7.100 4.990 4.990 4.990 . 0 0 "[ ]" 1
201 1 18 ARG HG2 1 55 TRP HB3 . . 7.100 5.795 5.795 5.795 . 0 0 "[ ]" 1
202 1 18 ARG HG3 1 55 TRP HB2 . . 7.100 4.877 4.877 4.877 . 0 0 "[ ]" 1
203 1 18 ARG HG3 1 55 TRP HB3 . . 7.100 5.232 5.232 5.232 . 0 0 "[ ]" 1
204 1 19 LEU H 1 19 LEU HG . . 5.500 4.082 4.082 4.082 . 0 0 "[ ]" 1
205 1 19 LEU H 1 24 ILE MD . . 6.280 3.958 3.958 3.958 . 0 0 "[ ]" 1
206 1 19 LEU HA 1 19 LEU MD1 . . 4.790 2.771 2.771 2.771 . 0 0 "[ ]" 1
207 1 19 LEU HA 1 19 LEU MD2 . . 4.790 3.593 3.593 3.593 . 0 0 "[ ]" 1
208 1 19 LEU HA 1 20 PRO HD2 . . 3.140 2.556 2.556 2.556 . 0 0 "[ ]" 1
209 1 19 LEU HA 1 20 PRO QD . . 2.940 1.875 1.875 1.875 . 0 0 "[ ]" 1
210 1 19 LEU HA 1 20 PRO HD3 . . 3.140 1.928 1.928 1.928 . 0 0 "[ ]" 1
211 1 19 LEU QB 1 20 PRO QB . . 6.930 5.022 5.022 5.022 . 0 0 "[ ]" 1
212 1 19 LEU QB 1 20 PRO HD2 . . 6.380 2.874 2.874 2.874 . 0 0 "[ ]" 1
213 1 19 LEU QB 1 20 PRO QD . . 6.250 2.775 2.775 2.775 . 0 0 "[ ]" 1
214 1 19 LEU QB 1 20 PRO HD3 . . 6.380 3.662 3.662 3.662 . 0 0 "[ ]" 1
215 1 19 LEU QB 1 24 ILE HA . . 6.380 4.906 4.906 4.906 . 0 0 "[ ]" 1
216 1 19 LEU QB 1 24 ILE MD . . 7.220 2.607 2.607 2.607 . 0 0 "[ ]" 1
217 1 19 LEU QB 1 24 ILE QG . . 7.250 2.472 2.472 2.472 . 0 0 "[ ]" 1
218 1 19 LEU QB 1 55 TRP HZ3 . . 6.380 5.193 5.193 5.193 . 0 0 "[ ]" 1
219 1 19 LEU QD 1 20 PRO QD . . 5.070 2.852 2.852 2.852 . 0 0 "[ ]" 1
220 1 19 LEU QD 1 21 VAL QG . . 10.690 5.681 5.681 5.681 . 0 0 "[ ]" 1
221 1 19 LEU QD 1 23 ARG QB . . 8.480 3.030 3.030 3.030 . 0 0 "[ ]" 1
222 1 19 LEU QD 1 23 ARG QD . . 8.480 5.091 5.091 5.091 . 0 0 "[ ]" 1
223 1 19 LEU QD 1 23 ARG QG . . 8.790 3.950 3.950 3.950 . 0 0 "[ ]" 1
224 1 19 LEU QD 1 24 ILE MD . . 7.120 3.524 3.524 3.524 . 0 0 "[ ]" 1
225 1 19 LEU QD 1 24 ILE MG . . 9.130 3.995 3.995 3.995 . 0 0 "[ ]" 1
226 1 19 LEU QD 1 39 PHE QB . . 8.820 3.915 3.915 3.915 . 0 0 "[ ]" 1
227 1 19 LEU QD 1 47 VAL HB . . 5.300 3.947 3.947 3.947 . 0 0 "[ ]" 1
228 1 19 LEU QD 1 47 VAL QG . . 7.610 3.011 3.011 3.011 . 0 0 "[ ]" 1
229 1 19 LEU QD 1 55 TRP HH2 . . 7.570 4.810 4.810 4.810 . 0 0 "[ ]" 1
230 1 19 LEU QD 1 55 TRP HZ2 . . 7.790 5.531 5.531 5.531 . 0 0 "[ ]" 1
231 1 19 LEU MD1 1 20 PRO HD2 . . 7.290 4.149 4.149 4.149 . 0 0 "[ ]" 1
232 1 19 LEU MD1 1 20 PRO HD3 . . 7.290 4.127 4.127 4.127 . 0 0 "[ ]" 1
233 1 19 LEU MD1 1 24 ILE MD . . 7.520 4.604 4.604 4.604 . 0 0 "[ ]" 1
234 1 19 LEU MD1 1 47 VAL HB . . 5.690 4.380 4.380 4.380 . 0 0 "[ ]" 1
235 1 19 LEU MD1 1 47 VAL MG1 . . 9.610 3.307 3.307 3.307 . 0 0 "[ ]" 1
236 1 19 LEU MD1 1 47 VAL MG2 . . 9.610 3.994 3.994 3.994 . 0 0 "[ ]" 1
237 1 19 LEU MD2 1 20 PRO HD2 . . 7.290 3.043 3.043 3.043 . 0 0 "[ ]" 1
238 1 19 LEU MD2 1 20 PRO HD3 . . 7.290 4.137 4.137 4.137 . 0 0 "[ ]" 1
239 1 19 LEU MD2 1 24 ILE MD . . 7.520 3.658 3.658 3.658 . 0 0 "[ ]" 1
240 1 19 LEU MD2 1 47 VAL HB . . 5.690 4.486 4.486 4.486 . 0 0 "[ ]" 1
241 1 19 LEU MD2 1 47 VAL MG1 . . 9.610 3.977 3.977 3.977 . 0 0 "[ ]" 1
242 1 19 LEU MD2 1 47 VAL MG2 . . 9.610 4.842 4.842 4.842 . 0 0 "[ ]" 1
243 1 19 LEU HG 1 20 PRO QG . . 6.380 4.324 4.324 4.324 . 0 0 "[ ]" 1
244 1 20 PRO HA 1 21 VAL H . . 2.520 2.156 2.156 2.156 . 0 0 "[ ]" 1
245 1 20 PRO HA 1 21 VAL QG . . 7.130 4.178 4.178 4.178 . 0 0 "[ ]" 1
246 1 20 PRO HA 1 22 SER H . . 3.790 3.710 3.710 3.710 . 0 0 "[ ]" 1
247 1 20 PRO QB 1 21 VAL H . . 4.050 3.396 3.396 3.396 . 0 0 "[ ]" 1
248 1 20 PRO QB 1 21 VAL QG . . 8.030 4.162 4.162 4.162 . 0 0 "[ ]" 1
249 1 20 PRO QB 1 22 SER H . . 4.330 2.781 2.781 2.781 . 0 0 "[ ]" 1
250 1 20 PRO QB 1 23 ARG H . . 4.270 2.801 2.801 2.801 . 0 0 "[ ]" 1
251 1 20 PRO QB 1 24 ILE MD . . 7.060 4.568 4.568 4.568 . 0 0 "[ ]" 1
252 1 20 PRO QD 1 23 ARG QD . . 6.510 3.752 3.752 3.752 . 0 0 "[ ]" 1
253 1 20 PRO HD2 1 23 ARG QG . . 6.380 3.864 3.864 3.864 . 0 0 "[ ]" 1
254 1 20 PRO HD3 1 23 ARG QG . . 6.380 5.057 5.057 5.057 . 0 0 "[ ]" 1
255 1 20 PRO QG 1 22 SER H . . 6.380 4.515 4.515 4.515 . 0 0 "[ ]" 1
256 1 20 PRO QG 1 23 ARG H . . 6.380 3.233 3.233 3.233 . 0 0 "[ ]" 1
257 1 21 VAL H 1 21 VAL HB . . 2.870 2.024 2.024 2.024 . 0 0 "[ ]" 1
258 1 21 VAL H 1 21 VAL MG1 . . 4.570 2.800 2.800 2.800 . 0 0 "[ ]" 1
259 1 21 VAL H 1 21 VAL MG2 . . 4.570 3.475 3.475 3.475 . 0 0 "[ ]" 1
260 1 21 VAL H 1 22 SER H . . 3.360 2.766 2.766 2.766 . 0 0 "[ ]" 1
261 1 21 VAL H 1 24 ILE MD . . 6.160 3.066 3.066 3.066 . 0 0 "[ ]" 1
262 1 21 VAL HA 1 21 VAL HB . . 2.990 2.681 2.681 2.681 . 0 0 "[ ]" 1
263 1 21 VAL HA 1 23 ARG H . . 4.260 3.762 3.762 3.762 . 0 0 "[ ]" 1
264 1 21 VAL HA 1 24 ILE H . . 3.670 2.754 2.754 2.754 . 0 0 "[ ]" 1
265 1 21 VAL HA 1 24 ILE HB . . 3.520 2.190 2.190 2.190 . 0 0 "[ ]" 1
266 1 21 VAL HA 1 24 ILE MD . . 4.390 1.942 1.942 1.942 . 0 0 "[ ]" 1
267 1 21 VAL HA 1 24 ILE HG12 . . 4.230 3.943 3.943 3.943 . 0 0 "[ ]" 1
268 1 21 VAL HA 1 24 ILE QG . . 4.070 2.761 2.761 2.761 . 0 0 "[ ]" 1
269 1 21 VAL HA 1 24 ILE HG13 . . 4.230 2.819 2.819 2.819 . 0 0 "[ ]" 1
270 1 21 VAL HA 1 59 VAL MG1 . . 5.470 3.360 3.360 3.360 . 0 0 "[ ]" 1
271 1 21 VAL HA 1 59 VAL QG . . 5.170 3.225 3.225 3.225 . 0 0 "[ ]" 1
272 1 21 VAL HA 1 59 VAL MG2 . . 5.470 4.155 4.155 4.155 . 0 0 "[ ]" 1
273 1 21 VAL HB 1 22 SER H . . 3.610 3.653 3.653 3.653 0.043 1 0 "[ ]" 1
274 1 21 VAL HB 1 24 ILE MD . . 6.000 3.445 3.445 3.445 . 0 0 "[ ]" 1
275 1 21 VAL HB 1 59 VAL MG1 . . 5.350 2.830 2.830 2.830 . 0 0 "[ ]" 1
276 1 21 VAL HB 1 59 VAL QG . . 4.940 2.249 2.249 2.249 . 0 0 "[ ]" 1
277 1 21 VAL HB 1 59 VAL MG2 . . 5.350 2.361 2.361 2.361 . 0 0 "[ ]" 1
278 1 21 VAL QG 1 22 SER H . . 4.960 2.198 2.198 2.198 . 0 0 "[ ]" 1
279 1 21 VAL QG 1 22 SER HA . . 7.190 2.865 2.865 2.865 . 0 0 "[ ]" 1
280 1 21 VAL QG 1 24 ILE H . . 8.090 3.776 3.776 3.776 . 0 0 "[ ]" 1
281 1 21 VAL QG 1 24 ILE MD . . 8.900 2.306 2.306 2.306 . 0 0 "[ ]" 1
282 1 21 VAL QG 1 24 ILE QG . . 8.250 3.855 3.855 3.855 . 0 0 "[ ]" 1
283 1 21 VAL QG 1 59 VAL HA . . 5.170 3.060 3.060 3.060 . 0 0 "[ ]" 1
284 1 21 VAL QG 1 59 VAL HB . . 7.750 4.076 4.076 4.076 . 0 0 "[ ]" 1
285 1 21 VAL QG 1 59 VAL QG . . 6.580 1.780 1.780 1.780 . 0 0 "[ ]" 1
286 1 21 VAL QG 1 62 SER QB . . 6.650 2.592 2.592 2.592 . 0 0 "[ ]" 1
287 1 21 VAL QG 1 63 MET HA . . 7.250 2.804 2.804 2.804 . 0 0 "[ ]" 1
288 1 21 VAL QG 1 63 MET QG . . 6.020 1.893 1.893 1.893 . 0 0 "[ ]" 1
289 1 21 VAL MG1 1 22 SER H . . 5.600 2.206 2.206 2.206 . 0 0 "[ ]" 1
290 1 21 VAL MG1 1 59 VAL HA . . 5.970 4.372 4.372 4.372 . 0 0 "[ ]" 1
291 1 21 VAL MG1 1 59 VAL MG1 . . 8.940 3.759 3.759 3.759 . 0 0 "[ ]" 1
292 1 21 VAL MG1 1 59 VAL MG2 . . 8.940 3.570 3.570 3.570 . 0 0 "[ ]" 1
293 1 21 VAL MG1 1 62 SER HB2 . . 8.410 4.351 4.351 4.351 . 0 0 "[ ]" 1
294 1 21 VAL MG1 1 62 SER HB3 . . 8.410 3.303 3.303 3.303 . 0 0 "[ ]" 1
295 1 21 VAL MG1 1 63 MET HG2 . . 8.060 4.160 4.160 4.160 . 0 0 "[ ]" 1
296 1 21 VAL MG1 1 63 MET HG3 . . 8.060 5.277 5.277 5.277 . 0 0 "[ ]" 1
297 1 21 VAL MG2 1 22 SER H . . 5.600 4.215 4.215 4.215 . 0 0 "[ ]" 1
298 1 21 VAL MG2 1 59 VAL HA . . 5.970 3.124 3.124 3.124 . 0 0 "[ ]" 1
299 1 21 VAL MG2 1 59 VAL MG1 . . 8.940 1.808 1.808 1.808 . 0 0 "[ ]" 1
300 1 21 VAL MG2 1 59 VAL MG2 . . 8.940 2.822 2.822 2.822 . 0 0 "[ ]" 1
301 1 21 VAL MG2 1 62 SER HB2 . . 8.410 4.162 4.162 4.162 . 0 0 "[ ]" 1
302 1 21 VAL MG2 1 62 SER HB3 . . 8.410 2.776 2.776 2.776 . 0 0 "[ ]" 1
303 1 21 VAL MG2 1 63 MET HG2 . . 8.060 1.925 1.925 1.925 . 0 0 "[ ]" 1
304 1 21 VAL MG2 1 63 MET HG3 . . 8.060 2.845 2.845 2.845 . 0 0 "[ ]" 1
305 1 22 SER H 1 22 SER HB2 . . 3.020 2.925 2.925 2.925 . 0 0 "[ ]" 1
306 1 22 SER H 1 22 SER HB3 . . 3.020 2.104 2.104 2.104 . 0 0 "[ ]" 1
307 1 22 SER H 1 23 ARG H . . 3.240 2.704 2.704 2.704 . 0 0 "[ ]" 1
308 1 22 SER H 1 24 ILE H . . 3.920 3.926 3.926 3.926 0.006 1 0 "[ ]" 1
309 1 22 SER HA 1 22 SER HB2 . . 2.960 2.290 2.290 2.290 . 0 0 "[ ]" 1
310 1 22 SER HA 1 22 SER HB3 . . 2.960 2.967 2.967 2.967 0.007 1 0 "[ ]" 1
311 1 22 SER QB 1 23 ARG QD . . 6.260 3.598 3.598 3.598 . 0 0 "[ ]" 1
312 1 23 ARG H 1 23 ARG HB2 . . 3.550 2.148 2.148 2.148 . 0 0 "[ ]" 1
313 1 23 ARG H 1 23 ARG QB . . 3.250 2.120 2.120 2.120 . 0 0 "[ ]" 1
314 1 23 ARG H 1 23 ARG HB3 . . 3.550 3.264 3.264 3.264 . 0 0 "[ ]" 1
315 1 23 ARG H 1 23 ARG HD2 . . 4.350 3.849 3.849 3.849 . 0 0 "[ ]" 1
316 1 23 ARG H 1 23 ARG QD . . 4.110 3.068 3.068 3.068 . 0 0 "[ ]" 1
317 1 23 ARG H 1 23 ARG HD3 . . 4.350 3.223 3.223 3.223 . 0 0 "[ ]" 1
318 1 23 ARG H 1 24 ILE H . . 2.900 2.191 2.191 2.191 . 0 0 "[ ]" 1
319 1 23 ARG HA 1 23 ARG HB2 . . 2.900 2.922 2.922 2.922 0.022 1 0 "[ ]" 1
320 1 23 ARG HA 1 23 ARG HB3 . . 2.900 2.862 2.862 2.862 . 0 0 "[ ]" 1
321 1 23 ARG HA 1 23 ARG HD2 . . 3.390 2.698 2.698 2.698 . 0 0 "[ ]" 1
322 1 23 ARG HA 1 23 ARG QD . . 3.170 2.597 2.597 2.597 . 0 0 "[ ]" 1
323 1 23 ARG HA 1 23 ARG HD3 . . 3.390 3.381 3.381 3.381 . 0 0 "[ ]" 1
324 1 23 ARG HA 1 24 ILE H . . 3.520 3.521 3.521 3.521 0.001 1 0 "[ ]" 1
325 1 23 ARG QB 1 23 ARG QD . . 3.150 2.131 2.131 2.131 . 0 0 "[ ]" 1
326 1 23 ARG QB 1 24 ILE HA . . 5.110 3.852 3.852 3.852 . 0 0 "[ ]" 1
327 1 23 ARG QB 1 41 THR MG . . 6.470 2.961 2.961 2.961 . 0 0 "[ ]" 1
328 1 23 ARG HB2 1 23 ARG HD2 . . 4.140 3.240 3.240 3.240 . 0 0 "[ ]" 1
329 1 23 ARG HB2 1 23 ARG HD3 . . 4.140 2.191 2.191 2.191 . 0 0 "[ ]" 1
330 1 23 ARG HB3 1 23 ARG HD2 . . 4.140 4.005 4.005 4.005 . 0 0 "[ ]" 1
331 1 23 ARG HB3 1 23 ARG HD3 . . 4.140 3.513 3.513 3.513 . 0 0 "[ ]" 1
332 1 24 ILE H 1 24 ILE HB . . 2.830 2.513 2.513 2.513 . 0 0 "[ ]" 1
333 1 24 ILE H 1 24 ILE MD . . 5.500 3.243 3.243 3.243 . 0 0 "[ ]" 1
334 1 24 ILE H 1 24 ILE HG12 . . 3.950 3.443 3.443 3.443 . 0 0 "[ ]" 1
335 1 24 ILE H 1 24 ILE QG . . 3.700 1.968 1.968 1.968 . 0 0 "[ ]" 1
336 1 24 ILE H 1 24 ILE HG13 . . 3.950 1.980 1.980 1.980 . 0 0 "[ ]" 1
337 1 24 ILE H 1 42 LYS QD . . 6.380 5.610 5.610 5.610 . 0 0 "[ ]" 1
338 1 24 ILE H 1 42 LYS QE . . 6.380 4.122 4.122 4.122 . 0 0 "[ ]" 1
339 1 24 ILE H 1 63 MET ME . . 6.060 4.764 4.764 4.764 . 0 0 "[ ]" 1
340 1 24 ILE HA 1 25 LYS H . . 3.020 2.303 2.303 2.303 . 0 0 "[ ]" 1
341 1 24 ILE HA 1 41 THR HA . . 3.270 1.974 1.974 1.974 . 0 0 "[ ]" 1
342 1 24 ILE HA 1 42 LYS H . . 3.730 3.532 3.532 3.532 . 0 0 "[ ]" 1
343 1 24 ILE HB 1 25 LYS H . . 4.230 3.897 3.897 3.897 . 0 0 "[ ]" 1
344 1 24 ILE HB 1 42 LYS QE . . 5.850 4.924 4.924 4.924 . 0 0 "[ ]" 1
345 1 24 ILE MD 1 25 LYS H . . 6.400 5.019 5.019 5.019 . 0 0 "[ ]" 1
346 1 24 ILE MD 1 27 TYR QD . . 8.670 6.044 6.044 6.044 . 0 0 "[ ]" 1
347 1 24 ILE MD 1 39 PHE QB . . 7.160 3.093 3.093 3.093 . 0 0 "[ ]" 1
348 1 24 ILE MD 1 41 THR MG . . 6.190 3.792 3.792 3.792 . 0 0 "[ ]" 1
349 1 24 ILE MD 1 59 VAL MG1 . . 7.000 2.591 2.591 2.591 . 0 0 "[ ]" 1
350 1 24 ILE MD 1 59 VAL QG . . 6.300 2.541 2.541 2.541 . 0 0 "[ ]" 1
351 1 24 ILE MD 1 59 VAL MG2 . . 7.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
352 1 24 ILE MD 1 63 MET ME . . 7.460 3.554 3.554 3.554 . 0 0 "[ ]" 1
353 1 24 ILE MG 1 25 LYS H . . 5.160 2.108 2.108 2.108 . 0 0 "[ ]" 1
354 1 24 ILE MG 1 25 LYS HA . . 5.470 3.889 3.889 3.889 . 0 0 "[ ]" 1
355 1 24 ILE MG 1 25 LYS HB2 . . 6.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
356 1 24 ILE MG 1 25 LYS QB . . 5.870 3.819 3.819 3.819 . 0 0 "[ ]" 1
357 1 24 ILE MG 1 25 LYS HB3 . . 6.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
358 1 24 ILE MG 1 26 THR H . . 5.070 3.298 3.298 3.298 . 0 0 "[ ]" 1
359 1 24 ILE MG 1 39 PHE HA . . 6.190 3.188 3.188 3.188 . 0 0 "[ ]" 1
360 1 24 ILE MG 1 39 PHE QB . . 6.470 2.381 2.381 2.381 . 0 0 "[ ]" 1
361 1 24 ILE MG 1 39 PHE QD . . 8.650 2.460 2.460 2.460 . 0 0 "[ ]" 1
362 1 24 ILE MG 1 41 THR HA . . 6.000 3.154 3.154 3.154 . 0 0 "[ ]" 1
363 1 24 ILE MG 1 42 LYS H . . 6.120 5.013 5.013 5.013 . 0 0 "[ ]" 1
364 1 24 ILE MG 1 42 LYS QE . . 6.260 4.336 4.336 4.336 . 0 0 "[ ]" 1
365 1 24 ILE MG 1 63 MET ME . . 5.290 1.853 1.853 1.853 . 0 0 "[ ]" 1
366 1 25 LYS H 1 25 LYS HB2 . . 3.610 2.614 2.614 2.614 . 0 0 "[ ]" 1
367 1 25 LYS H 1 25 LYS HB3 . . 3.610 2.726 2.726 2.726 . 0 0 "[ ]" 1
368 1 25 LYS H 1 25 LYS QD . . 5.230 4.195 4.195 4.195 . 0 0 "[ ]" 1
369 1 25 LYS H 1 26 THR H . . 3.240 2.682 2.682 2.682 . 0 0 "[ ]" 1
370 1 25 LYS H 1 41 THR HA . . 3.240 2.166 2.166 2.166 . 0 0 "[ ]" 1
371 1 25 LYS H 1 41 THR HB . . 5.190 4.768 4.768 4.768 . 0 0 "[ ]" 1
372 1 25 LYS H 1 41 THR MG . . 5.070 3.688 3.688 3.688 . 0 0 "[ ]" 1
373 1 25 LYS H 1 42 LYS H . . 3.830 3.844 3.844 3.844 0.014 1 0 "[ ]" 1
374 1 25 LYS HA 1 25 LYS HB2 . . 3.020 2.601 2.601 2.601 . 0 0 "[ ]" 1
375 1 25 LYS HA 1 25 LYS HB3 . . 3.020 3.013 3.013 3.013 . 0 0 "[ ]" 1
376 1 25 LYS HA 1 25 LYS HD2 . . 4.070 3.262 3.262 3.262 . 0 0 "[ ]" 1
377 1 25 LYS HA 1 25 LYS QD . . 3.880 2.904 2.904 2.904 . 0 0 "[ ]" 1
378 1 25 LYS HA 1 25 LYS HD3 . . 4.070 3.257 3.257 3.257 . 0 0 "[ ]" 1
379 1 25 LYS HA 1 25 LYS QE . . 5.630 4.541 4.541 4.541 . 0 0 "[ ]" 1
380 1 25 LYS HA 1 25 LYS HG2 . . 3.520 2.256 2.256 2.256 . 0 0 "[ ]" 1
381 1 25 LYS HA 1 25 LYS HG3 . . 3.520 3.539 3.539 3.539 0.019 1 0 "[ ]" 1
382 1 25 LYS HA 1 42 LYS HE2 . . 4.660 2.001 2.001 2.001 . 0 0 "[ ]" 1
383 1 25 LYS HA 1 42 LYS QE . . 4.350 1.979 1.979 1.979 . 0 0 "[ ]" 1
384 1 25 LYS HA 1 42 LYS HE3 . . 4.660 3.134 3.134 3.134 . 0 0 "[ ]" 1
385 1 25 LYS QB 1 25 LYS QE . . 4.050 3.037 3.037 3.037 . 0 0 "[ ]" 1
386 1 25 LYS QB 1 25 LYS QG . . 2.490 2.050 2.050 2.050 . 0 0 "[ ]" 1
387 1 25 LYS QB 1 26 THR MG . . 5.940 3.457 3.457 3.457 . 0 0 "[ ]" 1
388 1 25 LYS QB 1 40 ILE HB . . 5.940 3.407 3.407 3.407 . 0 0 "[ ]" 1
389 1 25 LYS QB 1 41 THR HA . . 6.280 3.085 3.085 3.085 . 0 0 "[ ]" 1
390 1 25 LYS QB 1 41 THR HB . . 6.000 4.908 4.908 4.908 . 0 0 "[ ]" 1
391 1 25 LYS QB 1 42 LYS H . . 5.070 3.089 3.089 3.089 . 0 0 "[ ]" 1
392 1 25 LYS QB 1 67 SER QB . . 6.820 5.008 5.008 5.008 . 0 0 "[ ]" 1
393 1 25 LYS HB2 1 25 LYS QE . . 4.330 3.938 3.938 3.938 . 0 0 "[ ]" 1
394 1 25 LYS HB2 1 26 THR H . . 3.390 3.401 3.401 3.401 0.011 1 0 "[ ]" 1
395 1 25 LYS HB2 1 26 THR MG . . 6.190 4.990 4.990 4.990 . 0 0 "[ ]" 1
396 1 25 LYS HB2 1 42 LYS H . . 5.250 3.137 3.137 3.137 . 0 0 "[ ]" 1
397 1 25 LYS HB3 1 25 LYS QE . . 4.330 3.159 3.159 3.159 . 0 0 "[ ]" 1
398 1 25 LYS HB3 1 26 THR H . . 3.390 1.935 1.935 1.935 . 0 0 "[ ]" 1
399 1 25 LYS HB3 1 26 THR MG . . 6.190 3.525 3.525 3.525 . 0 0 "[ ]" 1
400 1 25 LYS HB3 1 42 LYS H . . 5.250 4.628 4.628 4.628 . 0 0 "[ ]" 1
401 1 25 LYS QD 1 67 SER HA . . 5.600 3.913 3.913 3.913 . 0 0 "[ ]" 1
402 1 25 LYS HD2 1 25 LYS HG2 . . 2.960 2.892 2.892 2.892 . 0 0 "[ ]" 1
403 1 25 LYS HD2 1 25 LYS HG3 . . 2.960 2.881 2.881 2.881 . 0 0 "[ ]" 1
404 1 25 LYS HD3 1 25 LYS HG2 . . 2.960 2.267 2.267 2.267 . 0 0 "[ ]" 1
405 1 25 LYS HD3 1 25 LYS HG3 . . 2.960 2.892 2.892 2.892 . 0 0 "[ ]" 1
406 1 25 LYS QE 1 26 THR MG . . 6.500 3.174 3.174 3.174 . 0 0 "[ ]" 1
407 1 25 LYS QE 1 67 SER HA . . 6.380 5.741 5.741 5.741 . 0 0 "[ ]" 1
408 1 25 LYS QG 1 26 THR H . . 4.580 3.917 3.917 3.917 . 0 0 "[ ]" 1
409 1 25 LYS QG 1 67 SER QB . . 6.170 4.705 4.705 4.705 . 0 0 "[ ]" 1
410 1 26 THR H 1 26 THR HB . . 3.920 2.854 2.854 2.854 . 0 0 "[ ]" 1
411 1 26 THR H 1 40 ILE H . . 3.520 3.496 3.496 3.496 . 0 0 "[ ]" 1
412 1 26 THR H 1 40 ILE HB . . 3.980 2.488 2.488 2.488 . 0 0 "[ ]" 1
413 1 26 THR H 1 40 ILE MG . . 4.510 3.684 3.684 3.684 . 0 0 "[ ]" 1
414 1 26 THR H 1 63 MET ME . . 5.190 3.493 3.493 3.493 . 0 0 "[ ]" 1
415 1 26 THR HA 1 26 THR HB . . 2.930 2.628 2.628 2.628 . 0 0 "[ ]" 1
416 1 26 THR HA 1 27 TYR H . . 2.830 2.521 2.521 2.521 . 0 0 "[ ]" 1
417 1 26 THR HA 1 40 ILE MD . . 6.530 5.325 5.325 5.325 . 0 0 "[ ]" 1
418 1 26 THR HA 1 63 MET ME . . 4.050 2.188 2.188 2.188 . 0 0 "[ ]" 1
419 1 26 THR HB 1 40 ILE MD . . 6.530 4.461 4.461 4.461 . 0 0 "[ ]" 1
420 1 26 THR HB 1 40 ILE QG . . 6.160 5.310 5.310 5.310 . 0 0 "[ ]" 1
421 1 26 THR MG 1 27 TYR H . . 4.980 2.967 2.967 2.967 . 0 0 "[ ]" 1
422 1 26 THR MG 1 39 PHE HA . . 6.400 4.862 4.862 4.862 . 0 0 "[ ]" 1
423 1 26 THR MG 1 40 ILE H . . 6.060 3.310 3.310 3.310 . 0 0 "[ ]" 1
424 1 26 THR MG 1 40 ILE HB . . 4.880 1.961 1.961 1.961 . 0 0 "[ ]" 1
425 1 26 THR MG 1 40 ILE MD . . 7.150 2.056 2.056 2.056 . 0 0 "[ ]" 1
426 1 26 THR MG 1 40 ILE QG . . 5.480 2.574 2.574 2.574 . 0 0 "[ ]" 1
427 1 26 THR MG 1 63 MET ME . . 7.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
428 1 27 TYR H 1 27 TYR HB2 . . 3.980 3.805 3.805 3.805 . 0 0 "[ ]" 1
429 1 27 TYR H 1 27 TYR HB3 . . 3.980 3.124 3.124 3.124 . 0 0 "[ ]" 1
430 1 27 TYR H 1 63 MET ME . . 5.130 3.062 3.062 3.062 . 0 0 "[ ]" 1
431 1 27 TYR HA 1 28 THR H . . 2.830 2.413 2.413 2.413 . 0 0 "[ ]" 1
432 1 27 TYR HA 1 28 THR MG . . 6.160 5.173 5.173 5.173 . 0 0 "[ ]" 1
433 1 27 TYR HA 1 37 VAL QG . . 7.900 5.683 5.683 5.683 . 0 0 "[ ]" 1
434 1 27 TYR HA 1 38 ILE HB . . 5.440 4.161 4.161 4.161 . 0 0 "[ ]" 1
435 1 27 TYR HA 1 39 PHE HA . . 3.140 2.500 2.500 2.500 . 0 0 "[ ]" 1
436 1 27 TYR HA 1 39 PHE QD . . 7.280 3.753 3.753 3.753 . 0 0 "[ ]" 1
437 1 27 TYR HA 1 39 PHE QE . . 7.620 5.360 5.360 5.360 . 0 0 "[ ]" 1
438 1 27 TYR HA 1 40 ILE H . . 3.950 2.625 2.625 2.625 . 0 0 "[ ]" 1
439 1 27 TYR HA 1 63 MET ME . . 6.030 3.904 3.904 3.904 . 0 0 "[ ]" 1
440 1 27 TYR QB 1 28 THR H . . 3.380 2.678 2.678 2.678 . 0 0 "[ ]" 1
441 1 27 TYR QB 1 29 ILE QG . . 6.690 3.739 3.739 3.739 . 0 0 "[ ]" 1
442 1 27 TYR QB 1 37 VAL QG . . 7.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
443 1 27 TYR QB 1 39 PHE H . . 5.600 4.657 4.657 4.657 . 0 0 "[ ]" 1
444 1 27 TYR QB 1 39 PHE HA . . 5.260 2.624 2.624 2.624 . 0 0 "[ ]" 1
445 1 27 TYR HB2 1 37 VAL MG1 . . 8.780 5.525 5.525 5.525 . 0 0 "[ ]" 1
446 1 27 TYR HB2 1 37 VAL MG2 . . 8.780 4.330 4.330 4.330 . 0 0 "[ ]" 1
447 1 27 TYR HB3 1 37 VAL MG1 . . 8.780 6.749 6.749 6.749 . 0 0 "[ ]" 1
448 1 27 TYR HB3 1 37 VAL MG2 . . 8.780 5.344 5.344 5.344 . 0 0 "[ ]" 1
449 1 27 TYR QD 1 28 THR H . . 7.390 3.620 3.620 3.620 . 0 0 "[ ]" 1
450 1 27 TYR QD 1 28 THR HA . . 7.640 3.897 3.897 3.897 . 0 0 "[ ]" 1
451 1 27 TYR QD 1 29 ILE H . . 7.640 3.974 3.974 3.974 . 0 0 "[ ]" 1
452 1 27 TYR QD 1 37 VAL QG . . 9.330 4.115 4.115 4.115 . 0 0 "[ ]" 1
453 1 27 TYR QD 1 39 PHE QD . . 9.760 4.214 4.214 4.214 . 0 0 "[ ]" 1
454 1 27 TYR QD 1 39 PHE QE . . 9.760 4.019 4.019 4.019 . 0 0 "[ ]" 1
455 1 27 TYR QD 1 59 VAL QG . . 9.300 5.174 5.174 5.174 . 0 0 "[ ]" 1
456 1 27 TYR QD 1 60 VAL MG1 . . 8.360 3.427 3.427 3.427 . 0 0 "[ ]" 1
457 1 27 TYR QD 1 60 VAL MG2 . . 8.670 3.165 3.165 3.165 . 0 0 "[ ]" 1
458 1 27 TYR QD 1 63 MET ME . . 7.580 2.062 2.062 2.062 . 0 0 "[ ]" 1
459 1 27 TYR QE 1 28 THR HA . . 7.630 4.953 4.953 4.953 . 0 0 "[ ]" 1
460 1 27 TYR QE 1 29 ILE H . . 7.630 4.571 4.571 4.571 . 0 0 "[ ]" 1
461 1 27 TYR QE 1 29 ILE MD . . 8.200 2.512 2.512 2.512 . 0 0 "[ ]" 1
462 1 27 TYR QE 1 29 ILE QG . . 8.320 2.936 2.936 2.936 . 0 0 "[ ]" 1
463 1 27 TYR QE 1 37 VAL QG . . 10.160 5.006 5.006 5.006 . 0 0 "[ ]" 1
464 1 27 TYR QE 1 59 VAL QG . . 9.850 5.733 5.733 5.733 . 0 0 "[ ]" 1
465 1 27 TYR QE 1 60 VAL HA . . 7.630 4.181 4.181 4.181 . 0 0 "[ ]" 1
466 1 27 TYR QE 1 60 VAL MG1 . . 8.660 2.320 2.320 2.320 . 0 0 "[ ]" 1
467 1 27 TYR QE 1 63 MET ME . . 7.920 3.776 3.776 3.776 . 0 0 "[ ]" 1
468 1 27 TYR QE 1 64 ASP H . . 7.630 3.062 3.062 3.062 . 0 0 "[ ]" 1
469 1 28 THR H 1 28 THR HB . . 3.760 2.622 2.622 2.622 . 0 0 "[ ]" 1
470 1 28 THR H 1 37 VAL QG . . 7.650 4.868 4.868 4.868 . 0 0 "[ ]" 1
471 1 28 THR H 1 38 ILE HB . . 4.290 2.362 2.362 2.362 . 0 0 "[ ]" 1
472 1 28 THR H 1 38 ILE MG . . 6.060 3.331 3.331 3.331 . 0 0 "[ ]" 1
473 1 28 THR H 1 39 PHE HA . . 4.230 3.827 3.827 3.827 . 0 0 "[ ]" 1
474 1 28 THR H 1 39 PHE QD . . 7.620 4.927 4.927 4.927 . 0 0 "[ ]" 1
475 1 28 THR HA 1 28 THR HB . . 2.960 2.966 2.966 2.966 0.006 1 0 "[ ]" 1
476 1 28 THR HA 1 29 ILE H . . 2.590 2.151 2.151 2.151 . 0 0 "[ ]" 1
477 1 28 THR HB 1 38 ILE HB . . 4.320 2.477 2.477 2.477 . 0 0 "[ ]" 1
478 1 28 THR HB 1 38 ILE MD . . 6.250 5.077 5.077 5.077 . 0 0 "[ ]" 1
479 1 28 THR HB 1 38 ILE MG . . 6.030 3.160 3.160 3.160 . 0 0 "[ ]" 1
480 1 28 THR MG 1 29 ILE H . . 4.640 3.086 3.086 3.086 . 0 0 "[ ]" 1
481 1 28 THR MG 1 38 ILE H . . 5.970 3.526 3.526 3.526 . 0 0 "[ ]" 1
482 1 28 THR MG 1 38 ILE HB . . 4.360 2.497 2.497 2.497 . 0 0 "[ ]" 1
483 1 28 THR MG 1 38 ILE MD . . 6.870 4.024 4.024 4.024 . 0 0 "[ ]" 1
484 1 28 THR MG 1 38 ILE MG . . 6.010 3.441 3.441 3.441 . 0 0 "[ ]" 1
485 1 29 ILE H 1 29 ILE HB . . 2.870 2.453 2.453 2.453 . 0 0 "[ ]" 1
486 1 29 ILE H 1 29 ILE MD . . 5.350 3.871 3.871 3.871 . 0 0 "[ ]" 1
487 1 29 ILE H 1 29 ILE HG12 . . 4.200 3.736 3.736 3.736 . 0 0 "[ ]" 1
488 1 29 ILE H 1 29 ILE QG . . 4.040 2.570 2.570 2.570 . 0 0 "[ ]" 1
489 1 29 ILE H 1 29 ILE HG13 . . 4.200 2.618 2.618 2.618 . 0 0 "[ ]" 1
490 1 29 ILE HA 1 30 THR H . . 2.830 2.236 2.236 2.236 . 0 0 "[ ]" 1
491 1 29 ILE HB 1 29 ILE QG . . 2.680 2.347 2.347 2.347 . 0 0 "[ ]" 1
492 1 29 ILE HB 1 37 VAL HA . . 4.630 4.438 4.438 4.438 . 0 0 "[ ]" 1
493 1 29 ILE MD 1 37 VAL H . . 6.340 5.199 5.199 5.199 . 0 0 "[ ]" 1
494 1 29 ILE MD 1 37 VAL HA . . 4.570 3.781 3.781 3.781 . 0 0 "[ ]" 1
495 1 29 ILE MD 1 37 VAL MG1 . . 7.340 2.302 2.302 2.302 . 0 0 "[ ]" 1
496 1 29 ILE MD 1 37 VAL QG . . 6.730 2.288 2.288 2.288 . 0 0 "[ ]" 1
497 1 29 ILE MD 1 37 VAL MG2 . . 7.340 4.006 4.006 4.006 . 0 0 "[ ]" 1
498 1 29 ILE QG 1 30 THR H . . 6.040 4.113 4.113 4.113 . 0 0 "[ ]" 1
499 1 29 ILE QG 1 37 VAL QG . . 6.310 2.155 2.155 2.155 . 0 0 "[ ]" 1
500 1 29 ILE HG12 1 37 VAL MG1 . . 8.280 2.187 2.187 2.187 . 0 0 "[ ]" 1
501 1 29 ILE HG12 1 37 VAL MG2 . . 8.280 3.748 3.748 3.748 . 0 0 "[ ]" 1
502 1 29 ILE HG13 1 37 VAL MG1 . . 8.280 3.681 3.681 3.681 . 0 0 "[ ]" 1
503 1 29 ILE HG13 1 37 VAL MG2 . . 8.280 4.817 4.817 4.817 . 0 0 "[ ]" 1
504 1 29 ILE MG 1 30 THR H . . 4.330 2.293 2.293 2.293 . 0 0 "[ ]" 1
505 1 29 ILE MG 1 30 THR HA . . 5.540 3.745 3.745 3.745 . 0 0 "[ ]" 1
506 1 29 ILE MG 1 36 ALA H . . 5.470 3.949 3.949 3.949 . 0 0 "[ ]" 1
507 1 29 ILE MG 1 37 VAL HA . . 5.070 3.069 3.069 3.069 . 0 0 "[ ]" 1
508 1 29 ILE MG 1 37 VAL MG1 . . 7.560 2.032 2.032 2.032 . 0 0 "[ ]" 1
509 1 29 ILE MG 1 37 VAL QG . . 7.020 2.029 2.029 2.029 . 0 0 "[ ]" 1
510 1 29 ILE MG 1 37 VAL MG2 . . 7.560 4.486 4.486 4.486 . 0 0 "[ ]" 1
511 1 30 THR H 1 30 THR HB . . 3.760 3.577 3.577 3.577 . 0 0 "[ ]" 1
512 1 30 THR H 1 30 THR MG . . 4.170 2.684 2.684 2.684 . 0 0 "[ ]" 1
513 1 30 THR H 1 36 ALA H . . 3.360 2.650 2.650 2.650 . 0 0 "[ ]" 1
514 1 30 THR H 1 36 ALA MB . . 5.410 4.245 4.245 4.245 . 0 0 "[ ]" 1
515 1 30 THR HA 1 30 THR HB . . 2.740 2.588 2.588 2.588 . 0 0 "[ ]" 1
516 1 30 THR HA 1 31 GLU H . . 2.560 2.417 2.417 2.417 . 0 0 "[ ]" 1
517 1 30 THR HA 1 31 GLU QG . . 6.380 5.311 5.311 5.311 . 0 0 "[ ]" 1
518 1 30 THR HB 1 31 GLU H . . 2.960 2.630 2.630 2.630 . 0 0 "[ ]" 1
519 1 30 THR MG 1 31 GLU H . . 5.010 3.720 3.720 3.720 . 0 0 "[ ]" 1
520 1 30 THR MG 1 36 ALA H . . 4.570 3.551 3.551 3.551 . 0 0 "[ ]" 1
521 1 31 GLU H 1 31 GLU HB2 . . 3.610 2.445 2.445 2.445 . 0 0 "[ ]" 1
522 1 31 GLU H 1 31 GLU QB . . 3.250 2.384 2.384 2.384 . 0 0 "[ ]" 1
523 1 31 GLU H 1 31 GLU HB3 . . 3.610 3.305 3.305 3.305 . 0 0 "[ ]" 1
524 1 31 GLU H 1 31 GLU QG . . 5.110 4.075 4.075 4.075 . 0 0 "[ ]" 1
525 1 31 GLU H 1 32 GLY H . . 3.110 1.814 1.814 1.814 . 0 0 "[ ]" 1
526 1 31 GLU HA 1 31 GLU HB2 . . 3.050 2.890 2.890 2.890 . 0 0 "[ ]" 1
527 1 31 GLU HA 1 31 GLU HB3 . . 3.050 2.870 2.870 2.870 . 0 0 "[ ]" 1
528 1 31 GLU HA 1 31 GLU HG2 . . 3.480 3.415 3.415 3.415 . 0 0 "[ ]" 1
529 1 31 GLU HA 1 31 GLU QG . . 3.260 2.042 2.042 2.042 . 0 0 "[ ]" 1
530 1 31 GLU HA 1 31 GLU HG3 . . 3.480 2.058 2.058 2.058 . 0 0 "[ ]" 1
531 1 31 GLU HA 1 32 GLY QA . . 4.980 4.473 4.473 4.473 . 0 0 "[ ]" 1
532 1 31 GLU HA 1 35 ARG H . . 4.140 3.948 3.948 3.948 . 0 0 "[ ]" 1
533 1 31 GLU HA 1 35 ARG HA . . 3.580 2.913 2.913 2.913 . 0 0 "[ ]" 1
534 1 31 GLU HA 1 35 ARG QD . . 6.380 3.181 3.181 3.181 . 0 0 "[ ]" 1
535 1 31 GLU HA 1 35 ARG HG2 . . 4.600 4.611 4.611 4.611 0.011 1 0 "[ ]" 1
536 1 31 GLU HA 1 35 ARG HG3 . . 4.600 2.886 2.886 2.886 . 0 0 "[ ]" 1
537 1 31 GLU QB 1 31 GLU QG . . 2.380 2.062 2.062 2.062 . 0 0 "[ ]" 1
538 1 31 GLU QB 1 35 ARG QG . . 6.690 4.883 4.883 4.883 . 0 0 "[ ]" 1
539 1 31 GLU HB2 1 31 GLU HG2 . . 2.990 2.725 2.725 2.725 . 0 0 "[ ]" 1
540 1 31 GLU HB2 1 31 GLU HG3 . . 2.990 3.002 3.002 3.002 0.012 1 0 "[ ]" 1
541 1 31 GLU HB2 1 32 GLY H . . 3.520 3.549 3.549 3.549 0.029 1 0 "[ ]" 1
542 1 31 GLU HB3 1 31 GLU HG2 . . 2.990 2.298 2.298 2.298 . 0 0 "[ ]" 1
543 1 31 GLU HB3 1 31 GLU HG3 . . 2.990 2.726 2.726 2.726 . 0 0 "[ ]" 1
544 1 31 GLU HB3 1 32 GLY H . . 3.520 3.548 3.548 3.548 0.028 1 0 "[ ]" 1
545 1 31 GLU QG 1 32 GLY H . . 5.970 4.718 4.718 4.718 . 0 0 "[ ]" 1
546 1 31 GLU QG 1 35 ARG QG . . 6.880 3.720 3.720 3.720 . 0 0 "[ ]" 1
547 1 32 GLY H 1 32 GLY HA2 . . 2.870 2.843 2.843 2.843 . 0 0 "[ ]" 1
548 1 32 GLY H 1 32 GLY HA3 . . 2.870 2.254 2.254 2.254 . 0 0 "[ ]" 1
549 1 32 GLY H 1 34 LEU H . . 4.010 4.040 4.040 4.040 0.030 1 0 "[ ]" 1
550 1 32 GLY H 1 35 ARG H . . 3.730 3.288 3.288 3.288 . 0 0 "[ ]" 1
551 1 32 GLY H 1 35 ARG QB . . 5.630 4.812 4.812 4.812 . 0 0 "[ ]" 1
552 1 32 GLY H 1 35 ARG QD . . 6.380 5.384 5.384 5.384 . 0 0 "[ ]" 1
553 1 32 GLY QA 1 33 SER H . . 2.630 2.327 2.327 2.327 . 0 0 "[ ]" 1
554 1 32 GLY QA 1 34 LEU H . . 4.730 3.088 3.088 3.088 . 0 0 "[ ]" 1
555 1 32 GLY HA2 1 33 SER H . . 2.900 2.706 2.706 2.706 . 0 0 "[ ]" 1
556 1 32 GLY HA3 1 33 SER H . . 2.900 2.537 2.537 2.537 . 0 0 "[ ]" 1
557 1 33 SER H 1 33 SER HA . . 2.680 2.636 2.636 2.636 . 0 0 "[ ]" 1
558 1 33 SER H 1 34 LEU H . . 3.110 2.919 2.919 2.919 . 0 0 "[ ]" 1
559 1 34 LEU H 1 34 LEU HB2 . . 3.270 1.991 1.991 1.991 . 0 0 "[ ]" 1
560 1 34 LEU H 1 34 LEU QB . . 3.050 1.973 1.973 1.973 . 0 0 "[ ]" 1
561 1 34 LEU H 1 34 LEU HB3 . . 3.270 3.236 3.236 3.236 . 0 0 "[ ]" 1
562 1 34 LEU H 1 34 LEU HG . . 3.840 3.446 3.446 3.446 . 0 0 "[ ]" 1
563 1 34 LEU H 1 35 ARG H . . 3.640 2.803 2.803 2.803 . 0 0 "[ ]" 1
564 1 34 LEU HA 1 34 LEU HB2 . . 2.930 2.871 2.871 2.871 . 0 0 "[ ]" 1
565 1 34 LEU HA 1 34 LEU HB3 . . 2.930 2.827 2.827 2.827 . 0 0 "[ ]" 1
566 1 34 LEU HA 1 34 LEU HG . . 3.210 2.547 2.547 2.547 . 0 0 "[ ]" 1
567 1 34 LEU QB 1 34 LEU HG . . 2.600 2.364 2.364 2.364 . 0 0 "[ ]" 1
568 1 34 LEU QB 1 35 ARG H . . 3.660 2.503 2.503 2.503 . 0 0 "[ ]" 1
569 1 34 LEU HB2 1 35 ARG H . . 4.040 2.963 2.963 2.963 . 0 0 "[ ]" 1
570 1 34 LEU HB3 1 35 ARG H . . 4.040 2.700 2.700 2.700 . 0 0 "[ ]" 1
571 1 34 LEU QD 1 35 ARG H . . 6.760 3.858 3.858 3.858 . 0 0 "[ ]" 1
572 1 34 LEU QD 1 35 ARG HA . . 7.940 4.875 4.875 4.875 . 0 0 "[ ]" 1
573 1 35 ARG H 1 36 ALA H . . 3.610 3.134 3.134 3.134 . 0 0 "[ ]" 1
574 1 35 ARG HA 1 35 ARG QD . . 5.110 3.578 3.578 3.578 . 0 0 "[ ]" 1
575 1 35 ARG HA 1 35 ARG HG2 . . 4.070 3.282 3.282 3.282 . 0 0 "[ ]" 1
576 1 35 ARG HA 1 35 ARG QG . . 3.700 2.147 2.147 2.147 . 0 0 "[ ]" 1
577 1 35 ARG HA 1 35 ARG HG3 . . 4.070 2.176 2.176 2.176 . 0 0 "[ ]" 1
578 1 36 ALA HA 1 37 VAL H . . 2.830 2.387 2.387 2.387 . 0 0 "[ ]" 1
579 1 36 ALA HA 1 37 VAL QG . . 7.220 3.004 3.004 3.004 . 0 0 "[ ]" 1
580 1 36 ALA HA 1 51 PRO QD . . 4.140 2.135 2.135 2.135 . 0 0 "[ ]" 1
581 1 36 ALA HA 1 51 PRO QG . . 5.320 2.793 2.793 2.793 . 0 0 "[ ]" 1
582 1 36 ALA MB 1 37 VAL H . . 3.990 2.657 2.657 2.657 . 0 0 "[ ]" 1
583 1 36 ALA MB 1 48 CYS HA . . 5.750 3.911 3.911 3.911 . 0 0 "[ ]" 1
584 1 36 ALA MB 1 48 CYS QB . . 5.850 2.608 2.608 2.608 . 0 0 "[ ]" 1
585 1 36 ALA MB 1 49 ALA H . . 5.440 2.989 2.989 2.989 . 0 0 "[ ]" 1
586 1 36 ALA MB 1 50 ASP H . . 6.430 5.130 5.130 5.130 . 0 0 "[ ]" 1
587 1 36 ALA MB 1 51 PRO QD . . 6.440 3.354 3.354 3.354 . 0 0 "[ ]" 1
588 1 36 ALA MB 1 51 PRO QG . . 7.400 4.255 4.255 4.255 . 0 0 "[ ]" 1
589 1 37 VAL H 1 49 ALA H . . 3.670 2.842 2.842 2.842 . 0 0 "[ ]" 1
590 1 37 VAL H 1 49 ALA MB . . 5.970 3.821 3.821 3.821 . 0 0 "[ ]" 1
591 1 37 VAL HA 1 37 VAL HB . . 2.400 2.316 2.316 2.316 . 0 0 "[ ]" 1
592 1 37 VAL HA 1 38 ILE H . . 2.770 2.186 2.186 2.186 . 0 0 "[ ]" 1
593 1 37 VAL HA 1 38 ILE MD . . 5.780 4.518 4.518 4.518 . 0 0 "[ ]" 1
594 1 37 VAL HB 1 38 ILE H . . 3.580 3.504 3.504 3.504 . 0 0 "[ ]" 1
595 1 37 VAL HB 1 49 ALA MB . . 5.350 4.244 4.244 4.244 . 0 0 "[ ]" 1
596 1 37 VAL HB 1 51 PRO QD . . 6.380 5.435 5.435 5.435 . 0 0 "[ ]" 1
597 1 37 VAL QG 1 38 ILE H . . 5.370 3.587 3.587 3.587 . 0 0 "[ ]" 1
598 1 37 VAL QG 1 38 ILE MG . . 9.120 5.029 5.029 5.029 . 0 0 "[ ]" 1
599 1 37 VAL QG 1 39 PHE QD . . 10.210 3.212 3.212 3.212 . 0 0 "[ ]" 1
600 1 37 VAL QG 1 39 PHE QE . . 9.340 2.429 2.429 2.429 . 0 0 "[ ]" 1
601 1 37 VAL QG 1 50 ASP H . . 7.650 3.793 3.793 3.793 . 0 0 "[ ]" 1
602 1 37 VAL QG 1 51 PRO HA . . 5.050 2.287 2.287 2.287 . 0 0 "[ ]" 1
603 1 37 VAL QG 1 51 PRO QB . . 6.550 1.892 1.892 1.892 . 0 0 "[ ]" 1
604 1 37 VAL QG 1 51 PRO QG . . 7.850 2.488 2.488 2.488 . 0 0 "[ ]" 1
605 1 37 VAL QG 1 56 VAL MG1 . . 8.620 1.781 1.781 1.781 . 0 0 "[ ]" 1
606 1 37 VAL QG 1 56 VAL MG2 . . 9.120 3.281 3.281 3.281 . 0 0 "[ ]" 1
607 1 37 VAL QG 1 60 VAL MG1 . . 9.120 3.825 3.825 3.825 . 0 0 "[ ]" 1
608 1 37 VAL QG 1 60 VAL MG2 . . 8.400 2.713 2.713 2.713 . 0 0 "[ ]" 1
609 1 37 VAL MG1 1 38 ILE H . . 6.250 4.309 4.309 4.309 . 0 0 "[ ]" 1
610 1 37 VAL MG1 1 49 ALA MB . . 7.560 3.798 3.798 3.798 . 0 0 "[ ]" 1
611 1 37 VAL MG1 1 51 PRO HA . . 6.090 2.323 2.323 2.323 . 0 0 "[ ]" 1
612 1 37 VAL MG1 1 51 PRO HB2 . . 8.470 3.260 3.260 3.260 . 0 0 "[ ]" 1
613 1 37 VAL MG1 1 51 PRO HB3 . . 8.470 1.909 1.909 1.909 . 0 0 "[ ]" 1
614 1 37 VAL MG2 1 38 ILE H . . 6.250 3.837 3.837 3.837 . 0 0 "[ ]" 1
615 1 37 VAL MG2 1 49 ALA MB . . 7.560 1.861 1.861 1.861 . 0 0 "[ ]" 1
616 1 37 VAL MG2 1 51 PRO HA . . 6.090 3.416 3.416 3.416 . 0 0 "[ ]" 1
617 1 37 VAL MG2 1 51 PRO HB2 . . 8.470 5.268 5.268 5.268 . 0 0 "[ ]" 1
618 1 37 VAL MG2 1 51 PRO HB3 . . 8.470 4.000 4.000 4.000 . 0 0 "[ ]" 1
619 1 38 ILE H 1 38 ILE HB . . 3.140 2.445 2.445 2.445 . 0 0 "[ ]" 1
620 1 38 ILE H 1 38 ILE MD . . 5.320 3.629 3.629 3.629 . 0 0 "[ ]" 1
621 1 38 ILE H 1 38 ILE HG12 . . 4.720 2.458 2.458 2.458 . 0 0 "[ ]" 1
622 1 38 ILE H 1 38 ILE QG . . 4.430 2.427 2.427 2.427 . 0 0 "[ ]" 1
623 1 38 ILE H 1 38 ILE HG13 . . 4.720 3.759 3.759 3.759 . 0 0 "[ ]" 1
624 1 38 ILE HA 1 39 PHE H . . 2.830 2.211 2.211 2.211 . 0 0 "[ ]" 1
625 1 38 ILE HA 1 39 PHE QB . . 6.130 4.109 4.109 4.109 . 0 0 "[ ]" 1
626 1 38 ILE HA 1 48 CYS HA . . 3.080 2.264 2.264 2.264 . 0 0 "[ ]" 1
627 1 38 ILE HA 1 48 CYS HB2 . . 5.160 5.166 5.166 5.166 0.006 1 0 "[ ]" 1
628 1 38 ILE HA 1 48 CYS QB . . 4.930 3.904 3.904 3.904 . 0 0 "[ ]" 1
629 1 38 ILE HA 1 48 CYS HB3 . . 5.160 4.040 4.040 4.040 . 0 0 "[ ]" 1
630 1 38 ILE HA 1 49 ALA H . . 3.860 3.629 3.629 3.629 . 0 0 "[ ]" 1
631 1 38 ILE MD 1 39 PHE H . . 5.410 3.436 3.436 3.436 . 0 0 "[ ]" 1
632 1 38 ILE MD 1 39 PHE QB . . 7.340 5.081 5.081 5.081 . 0 0 "[ ]" 1
633 1 38 ILE MD 1 48 CYS H . . 6.400 3.871 3.871 3.871 . 0 0 "[ ]" 1
634 1 38 ILE MD 1 48 CYS HB2 . . 5.970 3.530 3.530 3.530 . 0 0 "[ ]" 1
635 1 38 ILE MD 1 48 CYS QB . . 5.530 2.160 2.160 2.160 . 0 0 "[ ]" 1
636 1 38 ILE MD 1 48 CYS HB3 . . 5.970 2.179 2.179 2.179 . 0 0 "[ ]" 1
637 1 38 ILE MD 1 49 ALA H . . 6.530 3.569 3.569 3.569 . 0 0 "[ ]" 1
638 1 38 ILE MG 1 39 PHE H . . 5.010 2.532 2.532 2.532 . 0 0 "[ ]" 1
639 1 38 ILE MG 1 39 PHE QB . . 6.630 4.209 4.209 4.209 . 0 0 "[ ]" 1
640 1 38 ILE MG 1 40 ILE H . . 6.030 4.093 4.093 4.093 . 0 0 "[ ]" 1
641 1 38 ILE MG 1 40 ILE HA . . 6.120 4.242 4.242 4.242 . 0 0 "[ ]" 1
642 1 38 ILE MG 1 47 VAL H . . 5.230 3.037 3.037 3.037 . 0 0 "[ ]" 1
643 1 38 ILE MG 1 48 CYS HA . . 5.040 3.539 3.539 3.539 . 0 0 "[ ]" 1
644 1 38 ILE MG 1 48 CYS QB . . 6.440 4.509 4.509 4.509 . 0 0 "[ ]" 1
645 1 39 PHE H 1 47 VAL HB . . 5.500 4.629 4.629 4.629 . 0 0 "[ ]" 1
646 1 39 PHE H 1 47 VAL QG . . 7.900 2.679 2.679 2.679 . 0 0 "[ ]" 1
647 1 39 PHE H 1 48 CYS HA . . 3.550 3.426 3.426 3.426 . 0 0 "[ ]" 1
648 1 39 PHE HA 1 40 ILE H . . 2.900 2.194 2.194 2.194 . 0 0 "[ ]" 1
649 1 39 PHE QB 1 47 VAL HB . . 5.570 3.964 3.964 3.964 . 0 0 "[ ]" 1
650 1 39 PHE QB 1 47 VAL MG1 . . 7.400 1.949 1.949 1.949 . 0 0 "[ ]" 1
651 1 39 PHE QB 1 47 VAL QG . . 7.080 1.947 1.947 1.947 . 0 0 "[ ]" 1
652 1 39 PHE QB 1 47 VAL MG2 . . 7.400 4.615 4.615 4.615 . 0 0 "[ ]" 1
653 1 39 PHE QD 1 40 ILE H . . 7.400 3.712 3.712 3.712 . 0 0 "[ ]" 1
654 1 39 PHE QD 1 47 VAL QG . . 9.620 2.716 2.716 2.716 . 0 0 "[ ]" 1
655 1 39 PHE QD 1 49 ALA MB . . 8.650 2.403 2.403 2.403 . 0 0 "[ ]" 1
656 1 39 PHE QE 1 47 VAL QG . . 10.150 4.512 4.512 4.512 . 0 0 "[ ]" 1
657 1 39 PHE QE 1 49 ALA MB . . 7.600 2.077 2.077 2.077 . 0 0 "[ ]" 1
658 1 39 PHE QE 1 56 VAL HA . . 7.620 3.973 3.973 3.973 . 0 0 "[ ]" 1
659 1 39 PHE QE 1 56 VAL MG1 . . 7.250 2.031 2.031 2.031 . 0 0 "[ ]" 1
660 1 39 PHE QE 1 56 VAL MG2 . . 7.690 2.830 2.830 2.830 . 0 0 "[ ]" 1
661 1 39 PHE QE 1 59 VAL H . . 7.620 5.736 5.736 5.736 . 0 0 "[ ]" 1
662 1 39 PHE QE 1 59 VAL QG . . 9.090 2.616 2.616 2.616 . 0 0 "[ ]" 1
663 1 39 PHE QE 1 60 VAL H . . 7.620 4.371 4.371 4.371 . 0 0 "[ ]" 1
664 1 39 PHE QE 1 60 VAL MG2 . . 7.530 2.479 2.479 2.479 . 0 0 "[ ]" 1
665 1 40 ILE H 1 40 ILE HB . . 3.330 2.649 2.649 2.649 . 0 0 "[ ]" 1
666 1 40 ILE H 1 40 ILE HG12 . . 4.540 3.257 3.257 3.257 . 0 0 "[ ]" 1
667 1 40 ILE H 1 40 ILE QG . . 4.360 2.223 2.223 2.223 . 0 0 "[ ]" 1
668 1 40 ILE H 1 40 ILE HG13 . . 4.540 2.263 2.263 2.263 . 0 0 "[ ]" 1
669 1 40 ILE H 1 46 LYS QE . . 6.380 5.743 5.743 5.743 . 0 0 "[ ]" 1
670 1 40 ILE HA 1 40 ILE MD . . 4.510 3.813 3.813 3.813 . 0 0 "[ ]" 1
671 1 40 ILE HA 1 41 THR H . . 2.800 2.206 2.206 2.206 . 0 0 "[ ]" 1
672 1 40 ILE HB 1 41 THR H . . 4.170 4.085 4.085 4.085 . 0 0 "[ ]" 1
673 1 40 ILE MD 1 41 THR H . . 6.340 5.107 5.107 5.107 . 0 0 "[ ]" 1
674 1 40 ILE MD 1 46 LYS HB2 . . 5.690 3.240 3.240 3.240 . 0 0 "[ ]" 1
675 1 40 ILE MD 1 46 LYS QB . . 5.540 2.946 2.946 2.946 . 0 0 "[ ]" 1
676 1 40 ILE MD 1 46 LYS HB3 . . 5.690 3.385 3.385 3.385 . 0 0 "[ ]" 1
677 1 40 ILE MD 1 46 LYS QD . . 5.760 3.918 3.918 3.918 . 0 0 "[ ]" 1
678 1 40 ILE MD 1 46 LYS QE . . 6.850 2.463 2.463 2.463 . 0 0 "[ ]" 1
679 1 40 ILE MD 1 46 LYS QG . . 6.660 4.551 4.551 4.551 . 0 0 "[ ]" 1
680 1 40 ILE QG 1 46 LYS QE . . 7.250 2.900 2.900 2.900 . 0 0 "[ ]" 1
681 1 40 ILE HG12 1 47 VAL H . . 5.250 4.238 4.238 4.238 . 0 0 "[ ]" 1
682 1 40 ILE HG13 1 47 VAL H . . 5.250 5.172 5.172 5.172 . 0 0 "[ ]" 1
683 1 40 ILE MG 1 41 THR H . . 4.730 2.689 2.689 2.689 . 0 0 "[ ]" 1
684 1 40 ILE MG 1 41 THR HA . . 5.750 4.188 4.188 4.188 . 0 0 "[ ]" 1
685 1 40 ILE MG 1 44 GLY HA2 . . 5.130 2.951 2.951 2.951 . 0 0 "[ ]" 1
686 1 40 ILE MG 1 44 GLY QA . . 4.860 2.903 2.903 2.903 . 0 0 "[ ]" 1
687 1 40 ILE MG 1 44 GLY HA3 . . 5.130 4.308 4.308 4.308 . 0 0 "[ ]" 1
688 1 40 ILE MG 1 45 LEU H . . 6.220 4.055 4.055 4.055 . 0 0 "[ ]" 1
689 1 40 ILE MG 1 46 LYS H . . 6.250 4.033 4.033 4.033 . 0 0 "[ ]" 1
690 1 40 ILE MG 1 46 LYS HA . . 5.320 3.183 3.183 3.183 . 0 0 "[ ]" 1
691 1 40 ILE MG 1 46 LYS QE . . 6.500 3.687 3.687 3.687 . 0 0 "[ ]" 1
692 1 40 ILE MG 1 46 LYS QG . . 7.400 4.407 4.407 4.407 . 0 0 "[ ]" 1
693 1 41 THR H 1 41 THR MG . . 4.390 2.738 2.738 2.738 . 0 0 "[ ]" 1
694 1 41 THR H 1 44 GLY H . . 4.110 3.789 3.789 3.789 . 0 0 "[ ]" 1
695 1 41 THR H 1 45 LEU H . . 3.580 3.212 3.212 3.212 . 0 0 "[ ]" 1
696 1 41 THR HA 1 41 THR HB . . 2.830 2.626 2.626 2.626 . 0 0 "[ ]" 1
697 1 41 THR HA 1 42 LYS H . . 2.800 2.457 2.457 2.457 . 0 0 "[ ]" 1
698 1 41 THR HB 1 42 LYS H . . 2.930 2.549 2.549 2.549 . 0 0 "[ ]" 1
699 1 41 THR HB 1 43 ARG H . . 3.610 2.415 2.415 2.415 . 0 0 "[ ]" 1
700 1 41 THR HB 1 45 LEU H . . 3.920 3.922 3.922 3.922 0.002 1 0 "[ ]" 1
701 1 41 THR MG 1 42 LYS H . . 4.360 3.596 3.596 3.596 . 0 0 "[ ]" 1
702 1 41 THR MG 1 43 ARG H . . 5.720 4.111 4.111 4.111 . 0 0 "[ ]" 1
703 1 41 THR MG 1 45 LEU H . . 5.630 4.312 4.312 4.312 . 0 0 "[ ]" 1
704 1 41 THR MG 1 45 LEU QB . . 6.200 3.452 3.452 3.452 . 0 0 "[ ]" 1
705 1 42 LYS H 1 42 LYS QB . . 3.120 2.070 2.070 2.070 . 0 0 "[ ]" 1
706 1 42 LYS H 1 42 LYS QE . . 6.380 2.425 2.425 2.425 . 0 0 "[ ]" 1
707 1 42 LYS H 1 43 ARG H . . 3.450 2.608 2.608 2.608 . 0 0 "[ ]" 1
708 1 42 LYS H 1 44 GLY H . . 4.350 4.070 4.070 4.070 . 0 0 "[ ]" 1
709 1 42 LYS HA 1 42 LYS HE2 . . 5.500 3.967 3.967 3.967 . 0 0 "[ ]" 1
710 1 42 LYS HA 1 42 LYS QE . . 4.900 3.465 3.465 3.465 . 0 0 "[ ]" 1
711 1 42 LYS HA 1 42 LYS HE3 . . 5.500 3.821 3.821 3.821 . 0 0 "[ ]" 1
712 1 42 LYS HA 1 44 GLY H . . 3.700 3.349 3.349 3.349 . 0 0 "[ ]" 1
713 1 42 LYS QB 1 42 LYS QE . . 4.540 2.606 2.606 2.606 . 0 0 "[ ]" 1
714 1 42 LYS QB 1 43 ARG H . . 4.490 3.154 3.154 3.154 . 0 0 "[ ]" 1
715 1 42 LYS HB2 1 42 LYS HE2 . . 5.190 3.793 3.793 3.793 . 0 0 "[ ]" 1
716 1 42 LYS HB2 1 42 LYS HE3 . . 5.190 2.703 2.703 2.703 . 0 0 "[ ]" 1
717 1 42 LYS HB3 1 42 LYS HE2 . . 5.190 4.692 4.692 4.692 . 0 0 "[ ]" 1
718 1 42 LYS HB3 1 42 LYS HE3 . . 5.190 4.128 4.128 4.128 . 0 0 "[ ]" 1
719 1 42 LYS QG 1 43 ARG H . . 6.380 4.647 4.647 4.647 . 0 0 "[ ]" 1
720 1 43 ARG H 1 43 ARG HB2 . . 3.360 2.109 2.109 2.109 . 0 0 "[ ]" 1
721 1 43 ARG H 1 43 ARG QB . . 3.000 2.072 2.072 2.072 . 0 0 "[ ]" 1
722 1 43 ARG H 1 43 ARG HB3 . . 3.360 3.040 3.040 3.040 . 0 0 "[ ]" 1
723 1 43 ARG H 1 43 ARG QG . . 5.010 3.645 3.645 3.645 . 0 0 "[ ]" 1
724 1 43 ARG H 1 44 GLY H . . 3.020 2.566 2.566 2.566 . 0 0 "[ ]" 1
725 1 43 ARG H 1 45 LEU H . . 3.830 3.394 3.394 3.394 . 0 0 "[ ]" 1
726 1 43 ARG HA 1 43 ARG QD . . 4.800 3.500 3.500 3.500 . 0 0 "[ ]" 1
727 1 43 ARG HA 1 43 ARG HG2 . . 3.210 2.007 2.007 2.007 . 0 0 "[ ]" 1
728 1 43 ARG HA 1 43 ARG QG . . 2.930 1.987 1.987 1.987 . 0 0 "[ ]" 1
729 1 43 ARG HA 1 43 ARG HG3 . . 3.210 3.186 3.186 3.186 . 0 0 "[ ]" 1
730 1 43 ARG HA 1 44 GLY H . . 3.520 3.330 3.330 3.330 . 0 0 "[ ]" 1
731 1 43 ARG QB 1 43 ARG QG . . 2.450 2.071 2.071 2.071 . 0 0 "[ ]" 1
732 1 43 ARG QB 1 45 LEU QD . . 8.110 2.545 2.545 2.545 . 0 0 "[ ]" 1
733 1 43 ARG QD 1 45 LEU QD . . 8.970 2.200 2.200 2.200 . 0 0 "[ ]" 1
734 1 43 ARG QG 1 44 GLY H . . 5.420 4.728 4.728 4.728 . 0 0 "[ ]" 1
735 1 44 GLY H 1 44 GLY HA2 . . 2.930 2.279 2.279 2.279 . 0 0 "[ ]" 1
736 1 44 GLY H 1 44 GLY HA3 . . 2.930 2.887 2.887 2.887 . 0 0 "[ ]" 1
737 1 44 GLY H 1 45 LEU H . . 2.900 2.487 2.487 2.487 . 0 0 "[ ]" 1
738 1 45 LEU H 1 45 LEU MD1 . . 5.630 3.612 3.612 3.612 . 0 0 "[ ]" 1
739 1 45 LEU H 1 45 LEU MD2 . . 5.630 4.417 4.417 4.417 . 0 0 "[ ]" 1
740 1 45 LEU H 1 45 LEU HG . . 3.790 3.773 3.773 3.773 . 0 0 "[ ]" 1
741 1 45 LEU HA 1 45 LEU MD1 . . 4.610 3.606 3.606 3.606 . 0 0 "[ ]" 1
742 1 45 LEU HA 1 45 LEU QD . . 4.060 2.723 2.723 2.723 . 0 0 "[ ]" 1
743 1 45 LEU HA 1 45 LEU MD2 . . 4.610 2.817 2.817 2.817 . 0 0 "[ ]" 1
744 1 45 LEU HA 1 45 LEU HG . . 3.980 2.184 2.184 2.184 . 0 0 "[ ]" 1
745 1 45 LEU QB 1 46 LYS H . . 4.800 3.614 3.614 3.614 . 0 0 "[ ]" 1
746 1 45 LEU QD 1 46 LYS H . . 5.380 3.237 3.237 3.237 . 0 0 "[ ]" 1
747 1 45 LEU MD1 1 46 LYS H . . 6.060 5.113 5.113 5.113 . 0 0 "[ ]" 1
748 1 45 LEU MD2 1 46 LYS H . . 6.060 3.273 3.273 3.273 . 0 0 "[ ]" 1
749 1 45 LEU HG 1 46 LYS H . . 4.110 4.009 4.009 4.009 . 0 0 "[ ]" 1
750 1 46 LYS H 1 46 LYS QB . . 3.790 2.592 2.592 2.592 . 0 0 "[ ]" 1
751 1 46 LYS H 1 46 LYS HD2 . . 4.970 3.886 3.886 3.886 . 0 0 "[ ]" 1
752 1 46 LYS H 1 46 LYS QD . . 4.830 3.705 3.705 3.705 . 0 0 "[ ]" 1
753 1 46 LYS H 1 46 LYS HD3 . . 4.970 4.670 4.670 4.670 . 0 0 "[ ]" 1
754 1 46 LYS H 1 46 LYS QG . . 4.580 2.456 2.456 2.456 . 0 0 "[ ]" 1
755 1 46 LYS HA 1 47 VAL H . . 2.710 2.231 2.231 2.231 . 0 0 "[ ]" 1
756 1 46 LYS HA 1 47 VAL MG1 . . 6.190 4.384 4.384 4.384 . 0 0 "[ ]" 1
757 1 46 LYS HA 1 47 VAL QG . . 5.700 4.151 4.151 4.151 . 0 0 "[ ]" 1
758 1 46 LYS HA 1 47 VAL MG2 . . 6.190 5.134 5.134 5.134 . 0 0 "[ ]" 1
759 1 46 LYS QB 1 46 LYS QD . . 3.060 2.295 2.295 2.295 . 0 0 "[ ]" 1
760 1 46 LYS QB 1 46 LYS QE . . 3.680 2.181 2.181 2.181 . 0 0 "[ ]" 1
761 1 46 LYS QB 1 47 VAL H . . 4.640 3.200 3.200 3.200 . 0 0 "[ ]" 1
762 1 46 LYS HB2 1 46 LYS HD2 . . 3.950 3.263 3.263 3.263 . 0 0 "[ ]" 1
763 1 46 LYS HB2 1 46 LYS HD3 . . 3.950 3.869 3.869 3.869 . 0 0 "[ ]" 1
764 1 46 LYS HB2 1 46 LYS QE . . 4.050 2.294 2.294 2.294 . 0 0 "[ ]" 1
765 1 46 LYS HB3 1 46 LYS HD2 . . 3.950 2.395 2.395 2.395 . 0 0 "[ ]" 1
766 1 46 LYS HB3 1 46 LYS HD3 . . 3.950 3.636 3.636 3.636 . 0 0 "[ ]" 1
767 1 46 LYS HB3 1 46 LYS QE . . 4.050 2.728 2.728 2.728 . 0 0 "[ ]" 1
768 1 46 LYS QD 1 47 VAL H . . 6.040 5.449 5.449 5.449 . 0 0 "[ ]" 1
769 1 46 LYS QE 1 47 VAL H . . 6.380 4.749 4.749 4.749 . 0 0 "[ ]" 1
770 1 46 LYS QG 1 47 VAL H . . 6.350 3.554 3.554 3.554 . 0 0 "[ ]" 1
771 1 47 VAL H 1 47 VAL HB . . 3.270 2.768 2.768 2.768 . 0 0 "[ ]" 1
772 1 47 VAL HA 1 48 CYS H . . 2.560 2.575 2.575 2.575 0.015 1 0 "[ ]" 1
773 1 47 VAL HB 1 48 CYS H . . 4.170 3.968 3.968 3.968 . 0 0 "[ ]" 1
774 1 47 VAL QG 1 48 CYS H . . 4.880 1.861 1.861 1.861 . 0 0 "[ ]" 1
775 1 47 VAL MG1 1 48 CYS H . . 5.600 2.480 2.480 2.480 . 0 0 "[ ]" 1
776 1 47 VAL MG2 1 48 CYS H . . 5.600 1.923 1.923 1.923 . 0 0 "[ ]" 1
777 1 48 CYS H 1 48 CYS QB . . 3.700 2.847 2.847 2.847 . 0 0 "[ ]" 1
778 1 48 CYS HA 1 49 ALA H . . 2.900 2.374 2.374 2.374 . 0 0 "[ ]" 1
779 1 48 CYS HA 1 49 ALA MB . . 5.880 3.812 3.812 3.812 . 0 0 "[ ]" 1
780 1 48 CYS QB 1 49 ALA H . . 4.010 2.803 2.803 2.803 . 0 0 "[ ]" 1
781 1 48 CYS HB2 1 49 ALA H . . 4.290 3.487 3.487 3.487 . 0 0 "[ ]" 1
782 1 48 CYS HB3 1 49 ALA H . . 4.290 2.954 2.954 2.954 . 0 0 "[ ]" 1
783 1 49 ALA HA 1 50 ASP H . . 2.770 2.368 2.368 2.368 . 0 0 "[ ]" 1
784 1 49 ALA MB 1 50 ASP H . . 4.170 2.714 2.714 2.714 . 0 0 "[ ]" 1
785 1 49 ALA MB 1 50 ASP QB . . 6.410 4.167 4.167 4.167 . 0 0 "[ ]" 1
786 1 49 ALA MB 1 55 TRP HZ2 . . 4.920 3.934 3.934 3.934 . 0 0 "[ ]" 1
787 1 49 ALA MB 1 56 VAL MG1 . . 6.530 2.617 2.617 2.617 . 0 0 "[ ]" 1
788 1 49 ALA MB 1 56 VAL MG2 . . 6.010 2.510 2.510 2.510 . 0 0 "[ ]" 1
789 1 50 ASP H 1 50 ASP QB . . 3.540 2.073 2.073 2.073 . 0 0 "[ ]" 1
790 1 50 ASP H 1 56 VAL MG2 . . 5.720 3.738 3.738 3.738 . 0 0 "[ ]" 1
791 1 50 ASP HA 1 51 PRO HD2 . . 3.080 2.449 2.449 2.449 . 0 0 "[ ]" 1
792 1 50 ASP HA 1 51 PRO HD3 . . 3.080 1.971 1.971 1.971 . 0 0 "[ ]" 1
793 1 50 ASP HA 1 51 PRO QG . . 5.630 3.878 3.878 3.878 . 0 0 "[ ]" 1
794 1 50 ASP HA 1 52 GLN H . . 3.980 3.600 3.600 3.600 . 0 0 "[ ]" 1
795 1 50 ASP QB 1 53 ALA H . . 4.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
796 1 50 ASP QB 1 53 ALA MB . . 4.990 3.379 3.379 3.379 . 0 0 "[ ]" 1
797 1 50 ASP HB2 1 53 ALA H . . 4.260 4.105 4.105 4.105 . 0 0 "[ ]" 1
798 1 50 ASP HB2 1 53 ALA MB . . 5.350 3.721 3.721 3.721 . 0 0 "[ ]" 1
799 1 50 ASP HB3 1 53 ALA H . . 4.260 3.294 3.294 3.294 . 0 0 "[ ]" 1
800 1 50 ASP HB3 1 53 ALA MB . . 5.350 3.875 3.875 3.875 . 0 0 "[ ]" 1
801 1 51 PRO HA 1 56 VAL MG1 . . 4.230 2.616 2.616 2.616 . 0 0 "[ ]" 1
802 1 51 PRO QD 1 52 GLN H . . 4.740 2.667 2.667 2.667 . 0 0 "[ ]" 1
803 1 51 PRO QD 1 53 ALA H . . 6.380 4.602 4.602 4.602 . 0 0 "[ ]" 1
804 1 51 PRO HD2 1 52 GLN H . . 5.380 2.721 2.721 2.721 . 0 0 "[ ]" 1
805 1 51 PRO HD3 1 52 GLN H . . 5.380 3.834 3.834 3.834 . 0 0 "[ ]" 1
806 1 52 GLN H 1 52 GLN HB2 . . 3.240 2.318 2.318 2.318 . 0 0 "[ ]" 1
807 1 52 GLN H 1 52 GLN QB . . 2.970 2.207 2.207 2.207 . 0 0 "[ ]" 1
808 1 52 GLN H 1 52 GLN HB3 . . 3.240 2.773 2.773 2.773 . 0 0 "[ ]" 1
809 1 52 GLN H 1 52 GLN QG . . 4.670 4.011 4.011 4.011 . 0 0 "[ ]" 1
810 1 52 GLN H 1 53 ALA H . . 2.830 2.411 2.411 2.411 . 0 0 "[ ]" 1
811 1 52 GLN H 1 53 ALA MB . . 5.660 3.966 3.966 3.966 . 0 0 "[ ]" 1
812 1 52 GLN H 1 57 ARG QD . . 6.380 5.327 5.327 5.327 . 0 0 "[ ]" 1
813 1 52 GLN HA 1 52 GLN HB2 . . 3.020 2.657 2.657 2.657 . 0 0 "[ ]" 1
814 1 52 GLN HA 1 52 GLN HB3 . . 3.020 3.022 3.022 3.022 0.002 1 0 "[ ]" 1
815 1 52 GLN HA 1 52 GLN HG2 . . 3.640 3.543 3.543 3.543 . 0 0 "[ ]" 1
816 1 52 GLN HA 1 52 GLN QG . . 3.260 2.220 2.220 2.220 . 0 0 "[ ]" 1
817 1 52 GLN HA 1 52 GLN HG3 . . 3.640 2.243 2.243 2.243 . 0 0 "[ ]" 1
818 1 52 GLN HA 1 53 ALA H . . 3.450 3.416 3.416 3.416 . 0 0 "[ ]" 1
819 1 52 GLN HA 1 57 ARG QD . . 5.790 3.806 3.806 3.806 . 0 0 "[ ]" 1
820 1 52 GLN QB 1 52 GLN QG . . 2.370 2.065 2.065 2.065 . 0 0 "[ ]" 1
821 1 52 GLN HB2 1 52 GLN HG2 . . 2.930 2.806 2.806 2.806 . 0 0 "[ ]" 1
822 1 52 GLN HB2 1 52 GLN HG3 . . 2.930 2.953 2.953 2.953 0.023 1 0 "[ ]" 1
823 1 52 GLN HB3 1 52 GLN HG2 . . 2.930 2.271 2.271 2.271 . 0 0 "[ ]" 1
824 1 52 GLN HB3 1 52 GLN HG3 . . 2.930 2.805 2.805 2.805 . 0 0 "[ ]" 1
825 1 52 GLN QG 1 53 ALA HA . . 5.140 4.628 4.628 4.628 . 0 0 "[ ]" 1
826 1 53 ALA H 1 56 VAL HB . . 3.550 3.235 3.235 3.235 . 0 0 "[ ]" 1
827 1 53 ALA H 1 56 VAL MG1 . . 6.250 3.884 3.884 3.884 . 0 0 "[ ]" 1
828 1 53 ALA H 1 56 VAL MG2 . . 6.340 3.613 3.613 3.613 . 0 0 "[ ]" 1
829 1 53 ALA HA 1 54 THR H . . 2.620 2.198 2.198 2.198 . 0 0 "[ ]" 1
830 1 53 ALA HA 1 55 TRP H . . 4.040 3.990 3.990 3.990 . 0 0 "[ ]" 1
831 1 53 ALA MB 1 54 THR H . . 4.390 3.209 3.209 3.209 . 0 0 "[ ]" 1
832 1 53 ALA MB 1 55 TRP H . . 5.600 3.122 3.122 3.122 . 0 0 "[ ]" 1
833 1 53 ALA MB 1 55 TRP HD1 . . 5.750 2.323 2.323 2.323 . 0 0 "[ ]" 1
834 1 53 ALA MB 1 55 TRP HE1 . . 5.290 2.888 2.888 2.888 . 0 0 "[ ]" 1
835 1 53 ALA MB 1 56 VAL H . . 4.880 2.337 2.337 2.337 . 0 0 "[ ]" 1
836 1 53 ALA MB 1 56 VAL HA . . 5.500 4.045 4.045 4.045 . 0 0 "[ ]" 1
837 1 53 ALA MB 1 56 VAL HB . . 4.610 2.117 2.117 2.117 . 0 0 "[ ]" 1
838 1 53 ALA MB 1 56 VAL MG1 . . 7.560 3.155 3.155 3.155 . 0 0 "[ ]" 1
839 1 53 ALA MB 1 56 VAL MG2 . . 6.010 1.710 1.710 1.710 . 0 0 "[ ]" 1
840 1 53 ALA MB 1 57 ARG H . . 5.440 3.822 3.822 3.822 . 0 0 "[ ]" 1
841 1 54 THR H 1 54 THR HB . . 2.400 2.165 2.165 2.165 . 0 0 "[ ]" 1
842 1 54 THR H 1 54 THR MG . . 4.260 3.638 3.638 3.638 . 0 0 "[ ]" 1
843 1 54 THR H 1 55 TRP H . . 3.360 2.652 2.652 2.652 . 0 0 "[ ]" 1
844 1 54 THR H 1 56 VAL MG2 . . 6.530 4.831 4.831 4.831 . 0 0 "[ ]" 1
845 1 54 THR HA 1 57 ARG H . . 4.040 3.118 3.118 3.118 . 0 0 "[ ]" 1
846 1 54 THR HA 1 57 ARG QB . . 4.550 2.330 2.330 2.330 . 0 0 "[ ]" 1
847 1 54 THR HA 1 57 ARG QD . . 6.380 2.988 2.988 2.988 . 0 0 "[ ]" 1
848 1 54 THR HB 1 55 TRP H . . 2.990 2.795 2.795 2.795 . 0 0 "[ ]" 1
849 1 54 THR MG 1 55 TRP H . . 4.850 3.286 3.286 3.286 . 0 0 "[ ]" 1
850 1 54 THR MG 1 55 TRP HA . . 5.810 3.391 3.391 3.391 . 0 0 "[ ]" 1
851 1 54 THR MG 1 57 ARG H . . 5.970 4.565 4.565 4.565 . 0 0 "[ ]" 1
852 1 54 THR MG 1 57 ARG QD . . 7.400 4.416 4.416 4.416 . 0 0 "[ ]" 1
853 1 55 TRP H 1 55 TRP QB . . 3.660 2.177 2.177 2.177 . 0 0 "[ ]" 1
854 1 55 TRP H 1 55 TRP HD1 . . 3.360 2.875 2.875 2.875 . 0 0 "[ ]" 1
855 1 55 TRP H 1 56 VAL H . . 3.300 2.621 2.621 2.621 . 0 0 "[ ]" 1
856 1 55 TRP H 1 56 VAL MG2 . . 6.340 4.010 4.010 4.010 . 0 0 "[ ]" 1
857 1 55 TRP HA 1 55 TRP HB2 . . 2.960 2.279 2.279 2.279 . 0 0 "[ ]" 1
858 1 55 TRP HA 1 55 TRP HB3 . . 2.960 2.596 2.596 2.596 . 0 0 "[ ]" 1
859 1 55 TRP HA 1 55 TRP HE3 . . 4.420 3.743 3.743 3.743 . 0 0 "[ ]" 1
860 1 55 TRP HA 1 58 ASP H . . 3.830 3.389 3.389 3.389 . 0 0 "[ ]" 1
861 1 55 TRP HA 1 58 ASP HB2 . . 3.420 2.653 2.653 2.653 . 0 0 "[ ]" 1
862 1 55 TRP HA 1 58 ASP QB . . 3.210 2.547 2.547 2.547 . 0 0 "[ ]" 1
863 1 55 TRP HA 1 58 ASP HB3 . . 3.420 3.287 3.287 3.287 . 0 0 "[ ]" 1
864 1 55 TRP HA 1 59 VAL QG . . 7.220 4.277 4.277 4.277 . 0 0 "[ ]" 1
865 1 55 TRP QB 1 58 ASP QB . . 6.940 3.995 3.995 3.995 . 0 0 "[ ]" 1
866 1 55 TRP HD1 1 56 VAL H . . 5.500 3.364 3.364 3.364 . 0 0 "[ ]" 1
867 1 55 TRP HE3 1 59 VAL H . . 5.500 4.119 4.119 4.119 . 0 0 "[ ]" 1
868 1 55 TRP HE3 1 59 VAL QG . . 6.350 1.978 1.978 1.978 . 0 0 "[ ]" 1
869 1 55 TRP HZ2 1 56 VAL MG2 . . 6.160 2.845 2.845 2.845 . 0 0 "[ ]" 1
870 1 55 TRP HZ3 1 59 VAL QG . . 6.970 2.145 2.145 2.145 . 0 0 "[ ]" 1
871 1 56 VAL H 1 56 VAL HB . . 3.170 2.325 2.325 2.325 . 0 0 "[ ]" 1
872 1 56 VAL H 1 56 VAL MG2 . . 4.760 2.177 2.177 2.177 . 0 0 "[ ]" 1
873 1 56 VAL H 1 57 ARG H . . 3.170 2.623 2.623 2.623 . 0 0 "[ ]" 1
874 1 56 VAL H 1 58 ASP H . . 3.890 3.878 3.878 3.878 . 0 0 "[ ]" 1
875 1 56 VAL H 1 59 VAL H . . 4.570 4.593 4.593 4.593 0.023 1 0 "[ ]" 1
876 1 56 VAL HA 1 59 VAL H . . 3.860 3.283 3.283 3.283 . 0 0 "[ ]" 1
877 1 56 VAL HA 1 59 VAL MG1 . . 4.820 3.626 3.626 3.626 . 0 0 "[ ]" 1
878 1 56 VAL HA 1 59 VAL MG2 . . 4.820 3.630 3.630 3.630 . 0 0 "[ ]" 1
879 1 56 VAL HA 1 60 VAL H . . 4.110 3.856 3.856 3.856 . 0 0 "[ ]" 1
880 1 56 VAL HA 1 60 VAL MG2 . . 6.220 3.701 3.701 3.701 . 0 0 "[ ]" 1
881 1 56 VAL HB 1 57 ARG H . . 3.480 2.567 2.567 2.567 . 0 0 "[ ]" 1
882 1 56 VAL MG1 1 57 ARG H . . 5.660 3.344 3.344 3.344 . 0 0 "[ ]" 1
883 1 56 VAL MG1 1 57 ARG HA . . 6.190 3.353 3.353 3.353 . 0 0 "[ ]" 1
884 1 56 VAL MG1 1 57 ARG QG . . 6.820 3.977 3.977 3.977 . 0 0 "[ ]" 1
885 1 56 VAL MG1 1 59 VAL MG1 . . 7.400 3.924 3.924 3.924 . 0 0 "[ ]" 1
886 1 56 VAL MG1 1 59 VAL QG . . 6.980 3.783 3.783 3.783 . 0 0 "[ ]" 1
887 1 56 VAL MG1 1 59 VAL MG2 . . 7.400 4.960 4.960 4.960 . 0 0 "[ ]" 1
888 1 56 VAL MG2 1 57 ARG H . . 5.750 3.900 3.900 3.900 . 0 0 "[ ]" 1
889 1 56 VAL MG2 1 58 ASP H . . 6.530 5.230 5.230 5.230 . 0 0 "[ ]" 1
890 1 57 ARG H 1 57 ARG QB . . 3.870 2.026 2.026 2.026 . 0 0 "[ ]" 1
891 1 57 ARG H 1 57 ARG HG2 . . 4.690 4.331 4.331 4.331 . 0 0 "[ ]" 1
892 1 57 ARG H 1 57 ARG QG . . 4.080 3.221 3.221 3.221 . 0 0 "[ ]" 1
893 1 57 ARG H 1 57 ARG HG3 . . 4.690 3.322 3.322 3.322 . 0 0 "[ ]" 1
894 1 57 ARG H 1 58 ASP H . . 3.140 2.683 2.683 2.683 . 0 0 "[ ]" 1
895 1 57 ARG HA 1 57 ARG HG2 . . 3.730 2.729 2.729 2.729 . 0 0 "[ ]" 1
896 1 57 ARG HA 1 57 ARG QG . . 3.550 2.124 2.124 2.124 . 0 0 "[ ]" 1
897 1 57 ARG HA 1 57 ARG HG3 . . 3.730 2.215 2.215 2.215 . 0 0 "[ ]" 1
898 1 57 ARG HA 1 58 ASP H . . 3.520 3.576 3.576 3.576 0.056 1 0 "[ ]" 1
899 1 57 ARG HA 1 60 VAL H . . 3.640 3.312 3.312 3.312 . 0 0 "[ ]" 1
900 1 57 ARG HA 1 60 VAL HB . . 3.580 2.264 2.264 2.264 . 0 0 "[ ]" 1
901 1 57 ARG HA 1 60 VAL MG1 . . 6.000 3.540 3.540 3.540 . 0 0 "[ ]" 1
902 1 57 ARG HA 1 60 VAL MG2 . . 5.040 2.689 2.689 2.689 . 0 0 "[ ]" 1
903 1 57 ARG QB 1 58 ASP H . . 4.270 2.854 2.854 2.854 . 0 0 "[ ]" 1
904 1 57 ARG QG 1 58 ASP H . . 5.690 4.528 4.528 4.528 . 0 0 "[ ]" 1
905 1 57 ARG QG 1 60 VAL H . . 5.660 5.031 5.031 5.031 . 0 0 "[ ]" 1
906 1 58 ASP H 1 58 ASP HB2 . . 3.210 2.070 2.070 2.070 . 0 0 "[ ]" 1
907 1 58 ASP H 1 58 ASP QB . . 2.940 2.033 2.033 2.033 . 0 0 "[ ]" 1
908 1 58 ASP H 1 58 ASP HB3 . . 3.210 2.971 2.971 2.971 . 0 0 "[ ]" 1
909 1 58 ASP H 1 59 VAL H . . 3.240 2.569 2.569 2.569 . 0 0 "[ ]" 1
910 1 58 ASP H 1 60 VAL H . . 3.790 3.829 3.829 3.829 0.039 1 0 "[ ]" 1
911 1 58 ASP HA 1 61 ARG H . . 3.790 3.511 3.511 3.511 . 0 0 "[ ]" 1
912 1 58 ASP HA 1 61 ARG QD . . 6.380 5.416 5.416 5.416 . 0 0 "[ ]" 1
913 1 58 ASP QB 1 59 VAL H . . 3.300 2.524 2.524 2.524 . 0 0 "[ ]" 1
914 1 58 ASP QB 1 59 VAL QG . . 6.870 3.187 3.187 3.187 . 0 0 "[ ]" 1
915 1 58 ASP HB2 1 59 VAL H . . 3.610 3.309 3.309 3.309 . 0 0 "[ ]" 1
916 1 58 ASP HB2 1 59 VAL MG1 . . 8.280 6.228 6.228 6.228 . 0 0 "[ ]" 1
917 1 58 ASP HB2 1 59 VAL MG2 . . 8.280 4.558 4.558 4.558 . 0 0 "[ ]" 1
918 1 58 ASP HB3 1 59 VAL H . . 3.610 2.618 2.618 2.618 . 0 0 "[ ]" 1
919 1 58 ASP HB3 1 59 VAL MG1 . . 8.280 5.267 5.267 5.267 . 0 0 "[ ]" 1
920 1 58 ASP HB3 1 59 VAL MG2 . . 8.280 3.297 3.297 3.297 . 0 0 "[ ]" 1
921 1 59 VAL H 1 60 VAL H . . 3.170 2.541 2.541 2.541 . 0 0 "[ ]" 1
922 1 59 VAL HA 1 61 ARG H . . 4.140 4.201 4.201 4.201 0.061 1 0 "[ ]" 1
923 1 59 VAL HA 1 62 SER H . . 3.480 3.222 3.222 3.222 . 0 0 "[ ]" 1
924 1 59 VAL HA 1 62 SER HB2 . . 3.360 3.363 3.363 3.363 0.003 1 0 "[ ]" 1
925 1 59 VAL HA 1 62 SER HB3 . . 3.360 3.164 3.164 3.164 . 0 0 "[ ]" 1
926 1 59 VAL QG 1 60 VAL H . . 5.180 3.108 3.108 3.108 . 0 0 "[ ]" 1
927 1 59 VAL QG 1 60 VAL HA . . 7.130 3.240 3.240 3.240 . 0 0 "[ ]" 1
928 1 59 VAL QG 1 60 VAL MG1 . . 8.030 4.694 4.694 4.694 . 0 0 "[ ]" 1
929 1 59 VAL QG 1 60 VAL MG2 . . 7.160 3.064 3.064 3.064 . 0 0 "[ ]" 1
930 1 59 VAL QG 1 61 ARG H . . 8.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
931 1 59 VAL QG 1 62 SER QB . . 8.100 3.368 3.368 3.368 . 0 0 "[ ]" 1
932 1 59 VAL QG 1 63 MET HA . . 7.780 4.046 4.046 4.046 . 0 0 "[ ]" 1
933 1 59 VAL QG 1 63 MET QG . . 6.820 1.830 1.830 1.830 . 0 0 "[ ]" 1
934 1 59 VAL MG1 1 60 VAL H . . 5.470 3.201 3.201 3.201 . 0 0 "[ ]" 1
935 1 59 VAL MG1 1 60 VAL MG2 . . 7.560 3.095 3.095 3.095 . 0 0 "[ ]" 1
936 1 59 VAL MG1 1 63 MET HG2 . . 8.500 2.300 2.300 2.300 . 0 0 "[ ]" 1
937 1 59 VAL MG1 1 63 MET HG3 . . 8.500 1.925 1.925 1.925 . 0 0 "[ ]" 1
938 1 59 VAL MG2 1 60 VAL H . . 5.470 4.204 4.204 4.204 . 0 0 "[ ]" 1
939 1 59 VAL MG2 1 60 VAL MG2 . . 7.560 4.918 4.918 4.918 . 0 0 "[ ]" 1
940 1 59 VAL MG2 1 63 MET HG2 . . 8.500 4.558 4.558 4.558 . 0 0 "[ ]" 1
941 1 59 VAL MG2 1 63 MET HG3 . . 8.500 4.430 4.430 4.430 . 0 0 "[ ]" 1
942 1 60 VAL H 1 60 VAL HB . . 2.800 2.223 2.223 2.223 . 0 0 "[ ]" 1
943 1 60 VAL H 1 60 VAL MG1 . . 4.790 3.650 3.650 3.650 . 0 0 "[ ]" 1
944 1 60 VAL H 1 60 VAL MG2 . . 4.230 2.425 2.425 2.425 . 0 0 "[ ]" 1
945 1 60 VAL H 1 61 ARG H . . 3.140 2.696 2.696 2.696 . 0 0 "[ ]" 1
946 1 60 VAL HA 1 62 SER H . . 4.480 4.432 4.432 4.432 . 0 0 "[ ]" 1
947 1 60 VAL HA 1 63 MET H . . 3.760 3.343 3.343 3.343 . 0 0 "[ ]" 1
948 1 60 VAL HA 1 63 MET QB . . 3.510 2.199 2.199 2.199 . 0 0 "[ ]" 1
949 1 60 VAL HA 1 63 MET HG2 . . 5.380 3.937 3.937 3.937 . 0 0 "[ ]" 1
950 1 60 VAL HA 1 63 MET HG3 . . 5.380 2.346 2.346 2.346 . 0 0 "[ ]" 1
951 1 60 VAL HB 1 61 ARG H . . 3.020 2.796 2.796 2.796 . 0 0 "[ ]" 1
952 1 60 VAL HB 1 63 MET QG . . 6.380 4.935 4.935 4.935 . 0 0 "[ ]" 1
953 1 60 VAL MG1 1 61 ARG H . . 5.500 3.268 3.268 3.268 . 0 0 "[ ]" 1
954 1 60 VAL MG1 1 61 ARG HA . . 5.850 3.284 3.284 3.284 . 0 0 "[ ]" 1
955 1 60 VAL MG1 1 64 ASP H . . 6.530 4.235 4.235 4.235 . 0 0 "[ ]" 1
956 1 60 VAL MG2 1 61 ARG H . . 5.350 4.091 4.091 4.091 . 0 0 "[ ]" 1
957 1 60 VAL MG2 1 63 MET ME . . 7.560 5.149 5.149 5.149 . 0 0 "[ ]" 1
958 1 61 ARG H 1 61 ARG QD . . 5.850 4.327 4.327 4.327 . 0 0 "[ ]" 1
959 1 61 ARG H 1 61 ARG HG2 . . 4.570 4.198 4.198 4.198 . 0 0 "[ ]" 1
960 1 61 ARG H 1 61 ARG HG3 . . 4.570 4.504 4.504 4.504 . 0 0 "[ ]" 1
961 1 61 ARG HA 1 61 ARG HG2 . . 4.010 2.322 2.322 2.322 . 0 0 "[ ]" 1
962 1 61 ARG HA 1 61 ARG HG3 . . 4.010 3.603 3.603 3.603 . 0 0 "[ ]" 1
963 1 61 ARG HA 1 64 ASP H . . 4.110 3.958 3.958 3.958 . 0 0 "[ ]" 1
964 1 61 ARG HA 1 64 ASP QB . . 5.010 3.496 3.496 3.496 . 0 0 "[ ]" 1
965 1 61 ARG QD 1 65 ARG H . . 5.730 4.330 4.330 4.330 . 0 0 "[ ]" 1
966 1 61 ARG HG2 1 62 SER H . . 5.500 4.891 4.891 4.891 . 0 0 "[ ]" 1
967 1 61 ARG HG3 1 62 SER H . . 5.500 5.006 5.006 5.006 . 0 0 "[ ]" 1
968 1 62 SER H 1 62 SER HB2 . . 3.210 2.287 2.287 2.287 . 0 0 "[ ]" 1
969 1 62 SER H 1 62 SER QB . . 2.910 2.175 2.175 2.175 . 0 0 "[ ]" 1
970 1 62 SER H 1 62 SER HB3 . . 3.210 2.722 2.722 2.722 . 0 0 "[ ]" 1
971 1 62 SER H 1 63 MET H . . 3.140 2.543 2.543 2.543 . 0 0 "[ ]" 1
972 1 62 SER HA 1 62 SER QB . . 2.650 2.476 2.476 2.476 . 0 0 "[ ]" 1
973 1 62 SER HA 1 65 ARG QB . . 4.640 2.634 2.634 2.634 . 0 0 "[ ]" 1
974 1 62 SER HA 1 65 ARG QD . . 6.380 4.309 4.309 4.309 . 0 0 "[ ]" 1
975 1 62 SER HB2 1 63 MET H . . 3.640 3.645 3.645 3.645 0.005 1 0 "[ ]" 1
976 1 62 SER HB3 1 63 MET H . . 3.640 2.576 2.576 2.576 . 0 0 "[ ]" 1
977 1 63 MET H 1 63 MET HB2 . . 3.550 2.393 2.393 2.393 . 0 0 "[ ]" 1
978 1 63 MET H 1 63 MET QB . . 3.340 2.356 2.356 2.356 . 0 0 "[ ]" 1
979 1 63 MET H 1 63 MET HB3 . . 3.550 3.533 3.533 3.533 . 0 0 "[ ]" 1
980 1 63 MET H 1 63 MET ME . . 5.440 4.170 4.170 4.170 . 0 0 "[ ]" 1
981 1 63 MET H 1 63 MET HG2 . . 4.230 2.681 2.681 2.681 . 0 0 "[ ]" 1
982 1 63 MET H 1 63 MET QG . . 3.980 2.401 2.401 2.401 . 0 0 "[ ]" 1
983 1 63 MET H 1 63 MET HG3 . . 4.230 2.709 2.709 2.709 . 0 0 "[ ]" 1
984 1 63 MET H 1 64 ASP H . . 2.990 2.996 2.996 2.996 0.006 1 0 "[ ]" 1
985 1 63 MET HA 1 63 MET ME . . 4.480 2.335 2.335 2.335 . 0 0 "[ ]" 1
986 1 63 MET HA 1 63 MET HG2 . . 3.730 2.218 2.218 2.218 . 0 0 "[ ]" 1
987 1 63 MET HA 1 63 MET QG . . 3.460 2.194 2.194 2.194 . 0 0 "[ ]" 1
988 1 63 MET HA 1 63 MET HG3 . . 3.730 3.479 3.479 3.479 . 0 0 "[ ]" 1
989 1 63 MET HA 1 66 LYS QB . . 4.390 2.155 2.155 2.155 . 0 0 "[ ]" 1
990 1 63 MET HA 1 66 LYS QG . . 5.600 3.948 3.948 3.948 . 0 0 "[ ]" 1
991 1 63 MET QB 1 63 MET ME . . 4.180 1.975 1.975 1.975 . 0 0 "[ ]" 1
992 1 63 MET QB 1 64 ASP H . . 3.340 2.569 2.569 2.569 . 0 0 "[ ]" 1
993 1 63 MET HB2 1 63 MET ME . . 4.390 3.321 3.321 3.321 . 0 0 "[ ]" 1
994 1 63 MET HB2 1 64 ASP H . . 3.580 2.649 2.649 2.649 . 0 0 "[ ]" 1
995 1 63 MET HB3 1 63 MET ME . . 4.390 1.990 1.990 1.990 . 0 0 "[ ]" 1
996 1 63 MET HB3 1 64 ASP H . . 3.580 3.461 3.461 3.461 . 0 0 "[ ]" 1
997 1 63 MET ME 1 64 ASP H . . 5.910 4.650 4.650 4.650 . 0 0 "[ ]" 1
998 1 63 MET ME 1 66 LYS QE . . 7.250 4.592 4.592 4.592 . 0 0 "[ ]" 1
999 1 63 MET ME 1 66 LYS QG . . 6.630 3.641 3.641 3.641 . 0 0 "[ ]" 1
1000 1 63 MET QG 1 67 SER QB . . 7.250 5.526 5.526 5.526 . 0 0 "[ ]" 1
1001 1 64 ASP H 1 64 ASP HB2 . . 3.020 2.117 2.117 2.117 . 0 0 "[ ]" 1
1002 1 64 ASP H 1 64 ASP HB3 . . 3.020 2.865 2.865 2.865 . 0 0 "[ ]" 1
1003 1 64 ASP H 1 65 ARG H . . 3.080 2.739 2.739 2.739 . 0 0 "[ ]" 1
1004 1 64 ASP HA 1 64 ASP HB2 . . 3.050 2.676 2.676 2.676 . 0 0 "[ ]" 1
1005 1 64 ASP HA 1 64 ASP HB3 . . 3.050 3.026 3.026 3.026 . 0 0 "[ ]" 1
1006 1 64 ASP HA 1 67 SER QB . . 4.730 3.880 3.880 3.880 . 0 0 "[ ]" 1
1007 1 64 ASP QB 1 65 ARG H . . 3.410 2.454 2.454 2.454 . 0 0 "[ ]" 1
1008 1 64 ASP HB2 1 65 ARG H . . 3.580 3.480 3.480 3.480 . 0 0 "[ ]" 1
1009 1 64 ASP HB3 1 65 ARG H . . 3.580 2.508 2.508 2.508 . 0 0 "[ ]" 1
1010 1 65 ARG H 1 65 ARG HA . . 2.870 2.800 2.800 2.800 . 0 0 "[ ]" 1
1011 1 65 ARG H 1 65 ARG HG2 . . 4.350 4.140 4.140 4.140 . 0 0 "[ ]" 1
1012 1 65 ARG H 1 65 ARG QG . . 4.080 3.784 3.784 3.784 . 0 0 "[ ]" 1
1013 1 65 ARG H 1 65 ARG HG3 . . 4.350 4.377 4.377 4.377 0.027 1 0 "[ ]" 1
1014 1 65 ARG HA 1 65 ARG QD . . 4.920 3.828 3.828 3.828 . 0 0 "[ ]" 1
1015 1 65 ARG HA 1 65 ARG HG2 . . 3.700 3.691 3.691 3.691 . 0 0 "[ ]" 1
1016 1 65 ARG HA 1 65 ARG HG3 . . 3.700 2.740 2.740 2.740 . 0 0 "[ ]" 1
1017 1 65 ARG QG 1 66 LYS H . . 4.580 3.142 3.142 3.142 . 0 0 "[ ]" 1
1018 1 65 ARG HG2 1 66 LYS H . . 4.720 3.285 3.285 3.285 . 0 0 "[ ]" 1
1019 1 65 ARG HG3 1 66 LYS H . . 4.720 4.005 4.005 4.005 . 0 0 "[ ]" 1
1020 1 66 LYS H 1 66 LYS QB . . 3.870 2.187 2.187 2.187 . 0 0 "[ ]" 1
1021 1 66 LYS H 1 66 LYS HG2 . . 4.420 4.425 4.425 4.425 0.005 1 0 "[ ]" 1
1022 1 66 LYS H 1 66 LYS HG3 . . 4.420 4.369 4.369 4.369 . 0 0 "[ ]" 1
1023 1 66 LYS H 1 67 SER H . . 3.210 2.685 2.685 2.685 . 0 0 "[ ]" 1
1024 1 66 LYS HA 1 66 LYS QE . . 5.450 4.594 4.594 4.594 . 0 0 "[ ]" 1
1025 1 66 LYS HA 1 66 LYS HG2 . . 3.980 3.521 3.521 3.521 . 0 0 "[ ]" 1
1026 1 66 LYS HA 1 66 LYS QG . . 3.770 2.388 2.388 2.388 . 0 0 "[ ]" 1
1027 1 66 LYS HA 1 66 LYS HG3 . . 3.980 2.429 2.429 2.429 . 0 0 "[ ]" 1
1028 1 66 LYS QB 1 67 SER H . . 4.580 2.853 2.853 2.853 . 0 0 "[ ]" 1
1029 1 67 SER H 1 67 SER HB2 . . 3.110 2.703 2.703 2.703 . 0 0 "[ ]" 1
1030 1 67 SER H 1 67 SER HB3 . . 3.110 2.974 2.974 2.974 . 0 0 "[ ]" 1
1031 1 67 SER H 1 68 ASN H . . 2.900 2.749 2.749 2.749 . 0 0 "[ ]" 1
1032 1 67 SER HA 1 67 SER QB . . 2.730 2.521 2.521 2.521 . 0 0 "[ ]" 1
1033 1 67 SER HA 1 68 ASN H . . 2.870 2.838 2.838 2.838 . 0 0 "[ ]" 1
1034 1 67 SER HA 1 70 ARG H . . 3.980 3.337 3.337 3.337 . 0 0 "[ ]" 1
1035 1 67 SER HA 1 70 ARG QB . . 4.420 2.141 2.141 2.141 . 0 0 "[ ]" 1
1036 1 67 SER HA 1 70 ARG QD . . 6.380 3.322 3.322 3.322 . 0 0 "[ ]" 1
1037 1 68 ASN H 1 68 ASN HA . . 2.770 2.782 2.782 2.782 0.012 1 0 "[ ]" 1
1038 1 68 ASN H 1 68 ASN QB . . 2.960 2.005 2.005 2.005 . 0 0 "[ ]" 1
1039 1 68 ASN HA 1 68 ASN HB2 . . 2.870 2.883 2.883 2.883 0.013 1 0 "[ ]" 1
1040 1 68 ASN HA 1 68 ASN HB3 . . 2.870 2.909 2.909 2.909 0.039 1 0 "[ ]" 1
1041 1 68 ASN QB 1 69 THR H . . 3.360 2.204 2.204 2.204 . 0 0 "[ ]" 1
1042 1 68 ASN HB2 1 69 THR H . . 3.610 2.786 2.786 2.786 . 0 0 "[ ]" 1
1043 1 68 ASN HB3 1 69 THR H . . 3.610 2.310 2.310 2.310 . 0 0 "[ ]" 1
1044 1 69 THR H 1 69 THR HB . . 2.870 2.815 2.815 2.815 . 0 0 "[ ]" 1
1045 1 69 THR H 1 70 ARG H . . 3.610 2.081 2.081 2.081 . 0 0 "[ ]" 1
1046 1 69 THR HA 1 69 THR HB . . 2.960 2.498 2.498 2.498 . 0 0 "[ ]" 1
1047 1 69 THR MG 1 70 ARG H . . 5.850 2.039 2.039 2.039 . 0 0 "[ ]" 1
1048 1 70 ARG H 1 70 ARG HA . . 2.680 2.622 2.622 2.622 . 0 0 "[ ]" 1
1049 1 70 ARG H 1 70 ARG HB2 . . 3.520 2.133 2.133 2.133 . 0 0 "[ ]" 1
1050 1 70 ARG H 1 70 ARG QB . . 3.330 2.091 2.091 2.091 . 0 0 "[ ]" 1
1051 1 70 ARG H 1 70 ARG HB3 . . 3.520 3.002 3.002 3.002 . 0 0 "[ ]" 1
1052 1 70 ARG H 1 71 ASN H . . 3.140 3.062 3.062 3.062 . 0 0 "[ ]" 1
1053 1 70 ARG HA 1 73 MET H . . 4.350 2.963 2.963 2.963 . 0 0 "[ ]" 1
1054 1 70 ARG HA 1 73 MET ME . . 6.340 5.320 5.320 5.320 . 0 0 "[ ]" 1
1055 1 70 ARG QB 1 71 ASN H . . 3.710 2.410 2.410 2.410 . 0 0 "[ ]" 1
1056 1 70 ARG HB2 1 71 ASN H . . 3.890 3.502 3.502 3.502 . 0 0 "[ ]" 1
1057 1 70 ARG HB3 1 71 ASN H . . 3.890 2.456 2.456 2.456 . 0 0 "[ ]" 1
1058 1 70 ARG QG 1 71 ASN H . . 6.380 4.007 4.007 4.007 . 0 0 "[ ]" 1
1059 1 71 ASN H 1 71 ASN HA . . 2.680 2.621 2.621 2.621 . 0 0 "[ ]" 1
1060 1 71 ASN QB 1 72 ASN H . . 4.390 2.473 2.473 2.473 . 0 0 "[ ]" 1
1061 1 71 ASN QB 1 73 MET H . . 5.260 4.472 4.472 4.472 . 0 0 "[ ]" 1
1062 1 71 ASN QB 1 73 MET QB . . 7.250 5.353 5.353 5.353 . 0 0 "[ ]" 1
1063 1 72 ASN H 1 72 ASN HA . . 2.710 2.792 2.792 2.792 0.082 1 0 "[ ]" 1
1064 1 72 ASN QB 1 74 ILE QG . . 7.250 5.748 5.748 5.748 . 0 0 "[ ]" 1
1065 1 72 ASN QB 1 74 ILE MG . . 7.400 5.446 5.446 5.446 . 0 0 "[ ]" 1
1066 1 73 MET H 1 73 MET QB . . 3.610 2.169 2.169 2.169 . 0 0 "[ ]" 1
1067 1 73 MET H 1 73 MET ME . . 6.530 4.330 4.330 4.330 . 0 0 "[ ]" 1
1068 1 73 MET H 1 73 MET HG2 . . 4.850 4.562 4.562 4.562 . 0 0 "[ ]" 1
1069 1 73 MET H 1 73 MET QG . . 4.690 3.996 3.996 3.996 . 0 0 "[ ]" 1
1070 1 73 MET H 1 73 MET HG3 . . 4.850 4.416 4.416 4.416 . 0 0 "[ ]" 1
1071 1 73 MET HA 1 73 MET QB . . 2.750 2.395 2.395 2.395 . 0 0 "[ ]" 1
1072 1 73 MET HA 1 73 MET ME . . 5.940 1.944 1.944 1.944 . 0 0 "[ ]" 1
1073 1 73 MET HA 1 73 MET HG2 . . 4.290 3.820 3.820 3.820 . 0 0 "[ ]" 1
1074 1 73 MET HA 1 73 MET HG3 . . 4.290 3.120 3.120 3.120 . 0 0 "[ ]" 1
1075 1 73 MET QB 1 73 MET ME . . 4.310 3.283 3.283 3.283 . 0 0 "[ ]" 1
1076 1 73 MET QB 1 74 ILE H . . 4.520 3.066 3.066 3.066 . 0 0 "[ ]" 1
1077 1 73 MET QB 1 74 ILE MD . . 7.400 4.986 4.986 4.986 . 0 0 "[ ]" 1
1078 1 73 MET HB2 1 74 ILE MG . . 6.530 4.029 4.029 4.029 . 0 0 "[ ]" 1
1079 1 73 MET HB3 1 74 ILE MG . . 6.530 2.612 2.612 2.612 . 0 0 "[ ]" 1
1080 1 73 MET ME 1 74 ILE H . . 6.530 4.265 4.265 4.265 . 0 0 "[ ]" 1
1081 1 73 MET ME 1 74 ILE HB . . 6.530 5.322 5.322 5.322 . 0 0 "[ ]" 1
1082 1 73 MET QG 1 74 ILE MD . . 7.400 5.406 5.406 5.406 . 0 0 "[ ]" 1
1083 1 73 MET QG 1 74 ILE MG . . 7.400 2.633 2.633 2.633 . 0 0 "[ ]" 1
1084 1 74 ILE H 1 74 ILE HG12 . . 4.170 2.671 2.671 2.671 . 0 0 "[ ]" 1
1085 1 74 ILE H 1 74 ILE HG13 . . 4.170 3.624 3.624 3.624 . 0 0 "[ ]" 1
1086 1 74 ILE HA 1 74 ILE MD . . 4.760 4.075 4.075 4.075 . 0 0 "[ ]" 1
1087 1 74 ILE HA 1 75 GLN QB . . 5.140 4.207 4.207 4.207 . 0 0 "[ ]" 1
1088 1 74 ILE HA 1 75 GLN QG . . 6.380 4.181 4.181 4.181 . 0 0 "[ ]" 1
1089 1 74 ILE HB 1 75 GLN H . . 3.830 3.459 3.459 3.459 . 0 0 "[ ]" 1
1090 1 74 ILE HB 1 75 GLN QG . . 6.380 5.410 5.410 5.410 . 0 0 "[ ]" 1
1091 1 74 ILE HB 1 76 THR H . . 4.850 4.252 4.252 4.252 . 0 0 "[ ]" 1
1092 1 74 ILE MD 1 75 GLN H . . 6.530 4.811 4.811 4.811 . 0 0 "[ ]" 1
1093 1 74 ILE QG 1 75 GLN QG . . 7.250 3.947 3.947 3.947 . 0 0 "[ ]" 1
1094 1 74 ILE HG12 1 75 GLN H . . 5.500 4.793 4.793 4.793 . 0 0 "[ ]" 1
1095 1 74 ILE HG13 1 75 GLN H . . 5.500 3.758 3.758 3.758 . 0 0 "[ ]" 1
1096 1 74 ILE MG 1 75 GLN H . . 5.260 4.341 4.341 4.341 . 0 0 "[ ]" 1
1097 1 74 ILE MG 1 75 GLN HA . . 6.530 5.463 5.463 5.463 . 0 0 "[ ]" 1
1098 1 74 ILE MG 1 75 GLN QG . . 7.400 5.077 5.077 5.077 . 0 0 "[ ]" 1
1099 1 74 ILE MG 1 76 THR H . . 6.530 5.473 5.473 5.473 . 0 0 "[ ]" 1
1100 1 75 GLN H 1 75 GLN QB . . 3.200 2.682 2.682 2.682 . 0 0 "[ ]" 1
1101 1 75 GLN HA 1 76 THR H . . 2.560 2.511 2.511 2.511 . 0 0 "[ ]" 1
1102 1 75 GLN QG 1 76 THR H . . 6.380 4.408 4.408 4.408 . 0 0 "[ ]" 1
1103 1 76 THR MG 1 77 LYS H . . 5.440 2.933 2.933 2.933 . 0 0 "[ ]" 1
1104 1 77 LYS H 1 77 LYS HB2 . . 3.450 2.333 2.333 2.333 . 0 0 "[ ]" 1
1105 1 77 LYS H 1 77 LYS QB . . 3.140 2.282 2.282 2.282 . 0 0 "[ ]" 1
1106 1 77 LYS H 1 77 LYS HB3 . . 3.450 3.229 3.229 3.229 . 0 0 "[ ]" 1
1107 1 77 LYS H 1 78 PRO HD2 . . 5.500 4.931 4.931 4.931 . 0 0 "[ ]" 1
1108 1 77 LYS H 1 78 PRO HD3 . . 5.500 4.182 4.182 4.182 . 0 0 "[ ]" 1
1109 1 77 LYS HA 1 78 PRO HD2 . . 3.210 2.211 2.211 2.211 . 0 0 "[ ]" 1
1110 1 77 LYS HA 1 78 PRO HD3 . . 3.210 2.026 2.026 2.026 . 0 0 "[ ]" 1
1111 1 77 LYS QB 1 78 PRO QD . . 4.910 3.566 3.566 3.566 . 0 0 "[ ]" 1
1112 1 77 LYS HB2 1 78 PRO HD2 . . 5.500 4.788 4.788 4.788 . 0 0 "[ ]" 1
1113 1 77 LYS HB2 1 78 PRO HD3 . . 5.500 4.815 4.815 4.815 . 0 0 "[ ]" 1
1114 1 77 LYS HB3 1 78 PRO HD2 . . 5.500 4.080 4.080 4.080 . 0 0 "[ ]" 1
1115 1 77 LYS HB3 1 78 PRO HD3 . . 5.500 4.597 4.597 4.597 . 0 0 "[ ]" 1
1116 1 77 LYS QG 1 78 PRO HD2 . . 6.380 2.908 2.908 2.908 . 0 0 "[ ]" 1
1117 1 77 LYS QG 1 78 PRO HD3 . . 6.380 3.627 3.627 3.627 . 0 0 "[ ]" 1
1118 1 78 PRO HA 1 79 THR H . . 2.460 2.454 2.454 2.454 . 0 0 "[ ]" 1
1119 1 78 PRO HB2 1 79 THR H . . 3.830 2.664 2.664 2.664 . 0 0 "[ ]" 1
1120 1 78 PRO HB3 1 79 THR H . . 3.830 3.375 3.375 3.375 . 0 0 "[ ]" 1
1121 1 78 PRO QD 1 79 THR H . . 5.590 4.966 4.966 4.966 . 0 0 "[ ]" 1
1122 1 79 THR H 1 79 THR HB . . 3.420 2.887 2.887 2.887 . 0 0 "[ ]" 1
1123 1 79 THR HA 1 80 GLY H . . 2.770 2.414 2.414 2.414 . 0 0 "[ ]" 1
1124 1 79 THR HB 1 80 GLY H . . 3.480 3.480 3.480 3.480 . 1 0 "[ ]" 1
1125 1 79 THR MG 1 80 GLY H . . 6.190 1.956 1.956 1.956 . 0 0 "[ ]" 1
1126 1 79 THR MG 1 80 GLY QA . . 7.400 3.724 3.724 3.724 . 0 0 "[ ]" 1
1127 1 80 GLY H 1 81 THR H . . 3.550 2.968 2.968 2.968 . 0 0 "[ ]" 1
1128 1 81 THR H 1 81 THR HB . . 3.390 2.904 2.904 2.904 . 0 0 "[ ]" 1
1129 1 81 THR HB 1 82 GLN H . . 3.360 3.282 3.282 3.282 . 0 0 "[ ]" 1
1130 1 81 THR MG 1 82 GLN H . . 5.570 1.911 1.911 1.911 . 0 0 "[ ]" 1
1131 1 82 GLN H 1 82 GLN HB2 . . 3.480 2.502 2.502 2.502 . 0 0 "[ ]" 1
1132 1 82 GLN H 1 82 GLN QB . . 3.170 2.447 2.447 2.447 . 0 0 "[ ]" 1
1133 1 82 GLN H 1 82 GLN HB3 . . 3.480 3.460 3.460 3.460 . 0 0 "[ ]" 1
1134 1 82 GLN H 1 82 GLN QG . . 5.040 3.747 3.747 3.747 . 0 0 "[ ]" 1
1135 1 82 GLN HA 1 82 GLN HB2 . . 2.960 2.946 2.946 2.946 . 0 0 "[ ]" 1
1136 1 82 GLN HA 1 82 GLN HB3 . . 2.960 2.803 2.803 2.803 . 0 0 "[ ]" 1
1137 1 82 GLN QB 1 83 GLN H . . 4.150 2.448 2.448 2.448 . 0 0 "[ ]" 1
1138 1 83 GLN H 1 83 GLN HB2 . . 3.270 2.785 2.785 2.785 . 0 0 "[ ]" 1
1139 1 83 GLN H 1 83 GLN HB3 . . 3.270 2.890 2.890 2.890 . 0 0 "[ ]" 1
1140 1 83 GLN H 1 83 GLN QG . . 5.040 4.092 4.092 4.092 . 0 0 "[ ]" 1
1141 1 83 GLN HA 1 84 SER H . . 2.490 2.481 2.481 2.481 . 0 0 "[ ]" 1
1142 1 83 GLN QB 1 84 SER H . . 3.960 3.193 3.193 3.193 . 0 0 "[ ]" 1
1143 1 83 GLN HB2 1 84 SER H . . 4.170 4.055 4.055 4.055 . 0 0 "[ ]" 1
1144 1 83 GLN HB3 1 84 SER H . . 4.170 3.341 3.341 3.341 . 0 0 "[ ]" 1
1145 1 83 GLN QG 1 84 SER H . . 6.380 2.001 2.001 2.001 . 0 0 "[ ]" 1
1146 1 84 SER HA 1 85 THR H . . 2.740 2.576 2.576 2.576 . 0 0 "[ ]" 1
1147 1 85 THR H 1 85 THR HB . . 3.550 2.390 2.390 2.390 . 0 0 "[ ]" 1
1148 1 85 THR HA 1 86 ASN H . . 2.870 2.482 2.482 2.482 . 0 0 "[ ]" 1
1149 1 85 THR HB 1 86 ASN H . . 3.640 3.638 3.638 3.638 . 0 0 "[ ]" 1
1150 1 85 THR MG 1 86 ASN H . . 6.160 1.856 1.856 1.856 . 0 0 "[ ]" 1
1151 1 86 ASN H 1 86 ASN HB2 . . 3.550 3.547 3.547 3.547 . 0 0 "[ ]" 1
1152 1 86 ASN H 1 86 ASN QB . . 3.310 2.683 2.683 2.683 . 0 0 "[ ]" 1
1153 1 86 ASN H 1 86 ASN HB3 . . 3.550 2.778 2.778 2.778 . 0 0 "[ ]" 1
1154 1 86 ASN HA 1 86 ASN HB2 . . 3.020 2.584 2.584 2.584 . 0 0 "[ ]" 1
1155 1 86 ASN HA 1 86 ASN HB3 . . 3.020 2.411 2.411 2.411 . 0 0 "[ ]" 1
1156 1 86 ASN HA 1 87 THR H . . 2.830 2.562 2.562 2.562 . 0 0 "[ ]" 1
1157 1 86 ASN QB 1 87 THR H . . 4.070 2.351 2.351 2.351 . 0 0 "[ ]" 1
1158 1 86 ASN HB2 1 87 THR H . . 4.230 2.378 2.378 2.378 . 0 0 "[ ]" 1
1159 1 86 ASN HB2 1 87 THR MG . . 6.530 4.458 4.458 4.458 . 0 0 "[ ]" 1
1160 1 86 ASN HB3 1 87 THR H . . 4.230 3.681 3.681 3.681 . 0 0 "[ ]" 1
1161 1 86 ASN HB3 1 87 THR MG . . 6.530 5.095 5.095 5.095 . 0 0 "[ ]" 1
1162 1 87 THR H 1 87 THR MG . . 4.670 2.785 2.785 2.785 . 0 0 "[ ]" 1
1163 1 87 THR HA 1 88 ALA H . . 3.020 2.594 2.594 2.594 . 0 0 "[ ]" 1
1164 1 87 THR HB 1 88 ALA H . . 2.740 2.294 2.294 2.294 . 0 0 "[ ]" 1
1165 1 87 THR MG 1 88 ALA H . . 4.670 3.787 3.787 3.787 . 0 0 "[ ]" 1
1166 1 88 ALA H 1 89 VAL HB . . 3.580 3.546 3.546 3.546 . 0 0 "[ ]" 1
1167 1 88 ALA HA 1 89 VAL H . . 2.740 2.194 2.194 2.194 . 0 0 "[ ]" 1
1168 1 88 ALA HA 1 89 VAL HB . . 4.880 4.515 4.515 4.515 . 0 0 "[ ]" 1
1169 1 88 ALA HA 1 89 VAL QG . . 7.620 3.822 3.822 3.822 . 0 0 "[ ]" 1
1170 1 88 ALA MB 1 89 VAL HA . . 6.530 4.084 4.084 4.084 . 0 0 "[ ]" 1
1171 1 88 ALA MB 1 90 THR H . . 6.530 5.197 5.197 5.197 . 0 0 "[ ]" 1
1172 1 89 VAL H 1 89 VAL HB . . 3.330 3.315 3.315 3.315 . 0 0 "[ ]" 1
1173 1 89 VAL QG 1 90 THR H . . 7.620 2.915 2.915 2.915 . 0 0 "[ ]" 1
1174 1 90 THR H 1 90 THR HB . . 2.770 2.378 2.378 2.378 . 0 0 "[ ]" 1
1175 1 90 THR HA 1 91 LEU H . . 2.900 2.320 2.320 2.320 . 0 0 "[ ]" 1
1176 1 90 THR HB 1 91 LEU H . . 4.010 4.009 4.009 4.009 . 0 0 "[ ]" 1
1177 1 90 THR MG 1 91 LEU H . . 6.310 1.928 1.928 1.928 . 0 0 "[ ]" 1
1178 1 90 THR MG 1 91 LEU HA . . 6.530 3.920 3.920 3.920 . 0 0 "[ ]" 1
1179 1 91 LEU H 1 91 LEU HB2 . . 3.390 3.327 3.327 3.327 . 0 0 "[ ]" 1
1180 1 91 LEU H 1 91 LEU QB . . 3.210 2.244 2.244 2.244 . 0 0 "[ ]" 1
1181 1 91 LEU H 1 91 LEU HB3 . . 3.390 2.282 2.282 2.282 . 0 0 "[ ]" 1
1182 1 91 LEU H 1 91 LEU HG . . 3.830 3.829 3.829 3.829 . 0 0 "[ ]" 1
1183 1 91 LEU HA 1 91 LEU HG . . 3.550 3.493 3.493 3.493 . 0 0 "[ ]" 1
1184 1 91 LEU HA 1 92 THR H . . 2.870 2.212 2.212 2.212 . 0 0 "[ ]" 1
1185 1 91 LEU QB 1 92 THR H . . 4.220 3.658 3.658 3.658 . 0 0 "[ ]" 1
1186 1 91 LEU HB2 1 92 THR H . . 4.570 3.890 3.890 3.890 . 0 0 "[ ]" 1
1187 1 91 LEU HB3 1 92 THR H . . 4.570 4.450 4.450 4.450 . 0 0 "[ ]" 1
1188 1 91 LEU QD 1 92 THR HA . . 7.450 3.936 3.936 3.936 . 0 0 "[ ]" 1
1189 1 91 LEU QD 1 93 GLY QA . . 8.970 3.981 3.981 3.981 . 0 0 "[ ]" 1
1190 1 91 LEU HG 1 92 THR HA . . 5.190 4.584 4.584 4.584 . 0 0 "[ ]" 1
1191 1 91 LEU HG 1 93 GLY H . . 5.500 5.288 5.288 5.288 . 0 0 "[ ]" 1
1192 1 92 THR H 1 92 THR HB . . 3.730 2.594 2.594 2.594 . 0 0 "[ ]" 1
1193 1 92 THR HA 1 92 THR HB . . 2.400 2.405 2.405 2.405 0.005 1 0 "[ ]" 1
1194 1 92 THR HA 1 93 GLY H . . 3.210 2.279 2.279 2.279 . 0 0 "[ ]" 1
1195 1 92 THR HB 1 93 GLY H . . 4.350 3.935 3.935 3.935 . 0 0 "[ ]" 1
1196 1 92 THR MG 1 93 GLY QA . . 7.400 3.999 3.999 3.999 . 0 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, June 16, 2024 4:28:32 AM GMT (wattos1)