NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651137 |
6to6   |
34462 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6to6
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 905
_Distance_constraint_stats_list.Viol_count 2325
_Distance_constraint_stats_list.Viol_total 4772.392
_Distance_constraint_stats_list.Viol_max 1.864
_Distance_constraint_stats_list.Viol_rms 0.0715
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0132
_Distance_constraint_stats_list.Viol_average_violations_only 0.1026
_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 3 MET 0.198 0.085 10 0 "[ . 1 . 2]"
1 4 SER 0.658 0.124 10 0 "[ . 1 . 2]"
1 5 TYR 3.953 0.204 7 0 "[ . 1 . 2]"
1 6 ASP 0.937 0.140 16 0 "[ . 1 . 2]"
1 7 TYR 2.080 0.136 16 0 "[ . 1 . 2]"
1 8 SER 0.529 0.069 16 0 "[ . 1 . 2]"
1 9 SER 0.424 0.068 16 0 "[ . 1 . 2]"
1 10 LEU 6.729 0.175 12 0 "[ . 1 . 2]"
1 11 LEU 6.608 0.273 17 0 "[ . 1 . 2]"
1 12 GLY 0.021 0.009 9 0 "[ . 1 . 2]"
1 13 LYS 5.192 0.286 3 0 "[ . 1 . 2]"
1 14 ILE 1.188 0.092 5 0 "[ . 1 . 2]"
1 15 THR 2.556 0.113 1 0 "[ . 1 . 2]"
1 16 GLU 6.484 0.173 3 0 "[ . 1 . 2]"
1 17 LYS 8.998 0.164 8 0 "[ . 1 . 2]"
1 18 CYS 6.926 0.164 8 0 "[ . 1 . 2]"
1 19 GLY 13.204 0.171 1 0 "[ . 1 . 2]"
1 20 THR 5.023 0.171 1 0 "[ . 1 . 2]"
1 21 GLN 1.150 0.177 16 0 "[ . 1 . 2]"
1 22 TYR 4.198 0.177 16 0 "[ . 1 . 2]"
1 23 ASN 7.817 0.159 11 0 "[ . 1 . 2]"
1 24 PHE 71.799 1.864 18 19 [**************.**+**]
1 25 ALA 5.085 0.138 15 0 "[ . 1 . 2]"
1 26 ILE 5.827 0.220 16 0 "[ . 1 . 2]"
1 27 ALA 0.332 0.084 5 0 "[ . 1 . 2]"
1 28 MET 3.978 0.284 6 0 "[ . 1 . 2]"
1 29 GLY 0.069 0.031 9 0 "[ . 1 . 2]"
1 30 LEU 3.857 0.145 15 0 "[ . 1 . 2]"
1 31 SER 3.019 0.145 15 0 "[ . 1 . 2]"
1 32 GLU 3.292 0.152 12 0 "[ . 1 . 2]"
1 33 ARG 3.739 0.174 16 0 "[ . 1 . 2]"
1 34 THR 3.067 0.153 15 0 "[ . 1 . 2]"
1 35 VAL 0.939 0.096 4 0 "[ . 1 . 2]"
1 36 SER 0.349 0.119 17 0 "[ . 1 . 2]"
1 37 LEU 2.220 0.127 7 0 "[ . 1 . 2]"
1 38 LYS 7.220 0.283 18 0 "[ . 1 . 2]"
1 39 LEU 11.662 0.954 4 10 "[ * +. * ** - .* ***]"
1 40 ASN 10.490 0.954 4 10 "[ * +. * ** - .* ***]"
1 41 ASP 1.230 0.098 6 0 "[ . 1 . 2]"
1 42 LYS 9.698 0.284 4 0 "[ . 1 . 2]"
1 43 VAL 8.455 0.291 1 0 "[ . 1 . 2]"
1 44 THR 2.608 0.291 1 0 "[ . 1 . 2]"
1 45 TRP 2.500 0.159 4 0 "[ . 1 . 2]"
1 46 LYS 1.684 0.188 6 0 "[ . 1 . 2]"
1 47 ASP 1.917 0.238 13 0 "[ . 1 . 2]"
1 48 ASP 0.679 0.082 11 0 "[ . 1 . 2]"
1 49 GLU 1.047 0.100 8 0 "[ . 1 . 2]"
1 50 ILE 0.551 0.062 6 0 "[ . 1 . 2]"
1 51 LEU 6.475 0.263 18 0 "[ . 1 . 2]"
1 52 LYS 7.222 0.309 16 0 "[ . 1 . 2]"
1 53 ALA 32.564 1.516 18 19 [*-************.**+**]
1 54 VAL 0.798 0.073 14 0 "[ . 1 . 2]"
1 55 HIS 2.374 0.145 9 0 "[ . 1 . 2]"
1 56 VAL 35.695 1.864 18 19 [**************.**+**]
1 57 LEU 16.249 0.787 18 2 "[ - . 1 . + 2]"
1 58 GLU 0.481 0.093 14 0 "[ . 1 . 2]"
1 59 LEU 5.769 0.223 15 0 "[ . 1 . 2]"
1 60 ASN 2.409 0.092 17 0 "[ . 1 . 2]"
1 61 PRO 0.972 0.092 17 0 "[ . 1 . 2]"
1 62 GLN 2.317 0.174 19 0 "[ . 1 . 2]"
1 63 ASP 4.027 0.315 17 0 "[ . 1 . 2]"
1 64 ILE 2.114 0.112 7 0 "[ . 1 . 2]"
1 65 PRO 3.618 0.134 15 0 "[ . 1 . 2]"
1 66 LYS 4.560 0.135 9 0 "[ . 1 . 2]"
1 67 TYR 4.959 0.166 3 0 "[ . 1 . 2]"
1 68 PHE 1.006 0.124 20 0 "[ . 1 . 2]"
1 69 PHE 3.270 0.214 12 0 "[ . 1 . 2]"
1 70 ASN 4.878 0.432 4 0 "[ . 1 . 2]"
1 71 ALA 2.045 0.157 17 0 "[ . 1 . 2]"
1 72 LYS 5.095 0.281 13 0 "[ . 1 . 2]"
1 73 VAL 3.248 0.281 13 0 "[ . 1 . 2]"
1 74 HIS 0.762 0.169 20 0 "[ . 1 . 2]"
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 3 MET HA 1 4 SER H . . 3.380 2.632 2.105 3.465 0.085 10 0 "[ . 1 . 2]" 1
2 1 3 MET HG2 1 4 SER H . . 5.500 4.316 2.186 5.550 0.050 8 0 "[ . 1 . 2]" 1
3 1 3 MET HG3 1 4 SER H . . 5.500 4.196 2.780 5.240 . 0 0 "[ . 1 . 2]" 1
4 1 4 SER H 1 4 SER QB . . 3.840 2.861 2.429 3.439 . 0 0 "[ . 1 . 2]" 1
5 1 4 SER HA 1 5 TYR H . . 3.450 2.550 2.081 3.522 0.072 19 0 "[ . 1 . 2]" 1
6 1 4 SER HA 1 5 TYR QD . . 4.780 4.347 3.405 4.904 0.124 10 0 "[ . 1 . 2]" 1
7 1 5 TYR H 1 5 TYR QB . . 3.900 2.712 2.125 3.425 . 0 0 "[ . 1 . 2]" 1
8 1 5 TYR H 1 5 TYR QD . . 4.560 3.106 1.840 4.030 . 0 0 "[ . 1 . 2]" 1
9 1 5 TYR HA 1 6 ASP H . . 3.340 2.572 2.009 3.422 0.082 12 0 "[ . 1 . 2]" 1
10 1 5 TYR QB 1 6 ASP H . . 3.690 3.003 1.666 3.801 0.111 10 0 "[ . 1 . 2]" 1
11 1 5 TYR QD 1 6 ASP H . . 4.730 4.000 2.674 4.782 0.052 20 0 "[ . 1 . 2]" 1
12 1 5 TYR QD 1 70 ASN H . . 5.180 4.038 2.860 5.192 0.012 4 0 "[ . 1 . 2]" 1
13 1 5 TYR QD 1 71 ALA HA . . 3.790 3.357 1.974 3.944 0.154 15 0 "[ . 1 . 2]" 1
14 1 5 TYR QD 1 71 ALA MB . . 4.030 2.699 1.927 4.055 0.025 18 0 "[ . 1 . 2]" 1
15 1 5 TYR QD 1 72 LYS H . . 5.300 4.861 4.059 5.390 0.090 20 0 "[ . 1 . 2]" 1
16 1 5 TYR QE 1 69 PHE HB2 . . 3.520 3.522 2.772 3.724 0.204 7 0 "[ . 1 . 2]" 1
17 1 5 TYR QE 1 69 PHE HB3 . . 4.040 2.778 1.907 4.145 0.105 9 0 "[ . 1 . 2]" 1
18 1 5 TYR QE 1 70 ASN H . . 5.500 4.535 2.350 5.584 0.084 12 0 "[ . 1 . 2]" 1
19 1 5 TYR QE 1 71 ALA MB . . 3.750 3.354 2.055 3.907 0.157 17 0 "[ . 1 . 2]" 1
20 1 6 ASP H 1 6 ASP HB2 . . 3.440 3.035 2.301 3.580 0.140 16 0 "[ . 1 . 2]" 1
21 1 6 ASP H 1 6 ASP HB3 . . 3.600 2.807 2.301 3.662 0.062 12 0 "[ . 1 . 2]" 1
22 1 6 ASP HA 1 7 TYR H . . 3.360 2.645 2.069 3.410 0.050 10 0 "[ . 1 . 2]" 1
23 1 6 ASP HB2 1 8 SER H . . 4.960 4.232 2.463 4.951 . 0 0 "[ . 1 . 2]" 1
24 1 7 TYR H 1 7 TYR HB2 . . 3.940 2.986 2.460 3.836 . 0 0 "[ . 1 . 2]" 1
25 1 7 TYR H 1 7 TYR HB3 . . 4.030 3.834 3.612 4.085 0.055 18 0 "[ . 1 . 2]" 1
26 1 7 TYR H 1 7 TYR QD . . 4.870 3.185 2.580 3.734 . 0 0 "[ . 1 . 2]" 1
27 1 7 TYR H 1 8 SER H . . 3.520 2.557 1.855 3.194 . 0 0 "[ . 1 . 2]" 1
28 1 7 TYR HA 1 7 TYR QD . . 3.560 2.665 2.317 2.999 . 0 0 "[ . 1 . 2]" 1
29 1 7 TYR HA 1 10 LEU H . . 4.430 3.223 2.782 3.760 . 0 0 "[ . 1 . 2]" 1
30 1 7 TYR HB2 1 39 LEU MD1 . . 4.620 4.292 3.322 4.660 0.040 14 0 "[ . 1 . 2]" 1
31 1 7 TYR HB3 1 10 LEU HB2 . . 3.960 3.759 3.311 4.008 0.048 17 0 "[ . 1 . 2]" 1
32 1 7 TYR HB3 1 39 LEU MD1 . . 4.060 3.454 2.697 4.072 0.012 8 0 "[ . 1 . 2]" 1
33 1 7 TYR QD 1 10 LEU H . . 5.070 4.871 4.262 5.107 0.037 2 0 "[ . 1 . 2]" 1
34 1 7 TYR QD 1 10 LEU QD . . 4.740 2.352 1.806 3.429 . 0 0 "[ . 1 . 2]" 1
35 1 7 TYR QD 1 10 LEU MD2 . . 3.440 3.090 2.012 3.576 0.136 16 0 "[ . 1 . 2]" 1
36 1 7 TYR QD 1 68 PHE HA . . 4.040 3.679 2.682 4.164 0.124 20 0 "[ . 1 . 2]" 1
37 1 7 TYR QE 1 68 PHE HA . . 3.540 3.007 1.930 3.582 0.042 1 0 "[ . 1 . 2]" 1
38 1 8 SER HA 1 11 LEU H . . 4.420 3.394 3.032 4.144 . 0 0 "[ . 1 . 2]" 1
39 1 8 SER HA 1 11 LEU HB3 . . 3.890 3.665 2.342 3.959 0.069 16 0 "[ . 1 . 2]" 1
40 1 8 SER HA 1 12 GLY H . . 4.860 4.037 3.750 4.494 . 0 0 "[ . 1 . 2]" 1
41 1 9 SER H 1 9 SER HB2 . . 3.850 2.516 2.389 2.621 . 0 0 "[ . 1 . 2]" 1
42 1 9 SER HA 1 12 GLY H . . 4.080 3.714 3.349 4.089 0.009 9 0 "[ . 1 . 2]" 1
43 1 9 SER HB3 1 67 TYR QD . . 4.200 3.961 3.114 4.268 0.068 16 0 "[ . 1 . 2]" 1
44 1 9 SER HB3 1 67 TYR QE . . 4.230 3.715 2.956 4.268 0.038 6 0 "[ . 1 . 2]" 1
45 1 10 LEU H 1 10 LEU HB2 . . 3.230 2.493 2.301 2.683 . 0 0 "[ . 1 . 2]" 1
46 1 10 LEU H 1 10 LEU HB3 . . 3.300 2.471 2.342 2.705 . 0 0 "[ . 1 . 2]" 1
47 1 10 LEU H 1 10 LEU QD . . 4.290 3.714 3.642 3.778 . 0 0 "[ . 1 . 2]" 1
48 1 10 LEU H 1 10 LEU HG . . 4.670 4.427 4.357 4.545 . 0 0 "[ . 1 . 2]" 1
49 1 10 LEU H 1 11 LEU H . . 3.550 2.469 2.211 2.756 . 0 0 "[ . 1 . 2]" 1
50 1 10 LEU H 1 12 GLY H . . 4.750 3.813 3.606 4.014 . 0 0 "[ . 1 . 2]" 1
51 1 10 LEU H 1 67 TYR QD . . 4.140 3.412 2.876 4.178 0.038 6 0 "[ . 1 . 2]" 1
52 1 10 LEU H 1 67 TYR QE . . 5.260 4.335 3.470 4.913 . 0 0 "[ . 1 . 2]" 1
53 1 10 LEU HA 1 10 LEU QD . . 3.480 2.435 2.065 2.954 . 0 0 "[ . 1 . 2]" 1
54 1 10 LEU HA 1 67 TYR QD . . 3.140 1.935 1.794 2.341 . 0 0 "[ . 1 . 2]" 1
55 1 10 LEU HA 1 67 TYR QE . . 3.980 2.541 2.178 2.961 . 0 0 "[ . 1 . 2]" 1
56 1 10 LEU HB2 1 11 LEU H . . 3.680 3.722 3.651 3.758 0.078 2 0 "[ . 1 . 2]" 1
57 1 10 LEU HB2 1 67 TYR QD . . 4.630 2.287 1.852 3.070 . 0 0 "[ . 1 . 2]" 1
58 1 10 LEU HB3 1 67 TYR HB3 . . 4.320 4.287 3.963 4.402 0.082 5 0 "[ . 1 . 2]" 1
59 1 10 LEU HB3 1 67 TYR QD . . 3.890 3.630 3.364 3.984 0.094 17 0 "[ . 1 . 2]" 1
60 1 10 LEU QD 1 11 LEU H . . 4.790 3.598 3.291 3.795 . 0 0 "[ . 1 . 2]" 1
61 1 10 LEU QD 1 11 LEU HA . . 3.880 3.732 3.205 4.055 0.175 12 0 "[ . 1 . 2]" 1
62 1 10 LEU QD 1 11 LEU MD2 . . 4.760 3.800 2.901 4.783 0.023 17 0 "[ . 1 . 2]" 1
63 1 10 LEU QD 1 12 GLY H . . 5.500 4.887 4.730 5.117 . 0 0 "[ . 1 . 2]" 1
64 1 10 LEU QD 1 13 LYS H . . 5.500 4.296 3.846 4.836 . 0 0 "[ . 1 . 2]" 1
65 1 10 LEU QD 1 39 LEU MD1 . . 3.430 2.218 1.974 3.371 . 0 0 "[ . 1 . 2]" 1
66 1 10 LEU QD 1 39 LEU HG . . 4.040 4.027 3.399 4.128 0.088 2 0 "[ . 1 . 2]" 1
67 1 10 LEU QD 1 67 TYR HA . . 4.380 3.357 2.565 4.176 . 0 0 "[ . 1 . 2]" 1
68 1 10 LEU QD 1 67 TYR HB3 . . 3.980 2.209 1.940 2.655 . 0 0 "[ . 1 . 2]" 1
69 1 10 LEU QD 1 68 PHE QE . . 4.810 2.728 2.288 3.262 . 0 0 "[ . 1 . 2]" 1
70 1 10 LEU QD 1 68 PHE HZ . . 4.380 3.123 2.229 3.573 . 0 0 "[ . 1 . 2]" 1
71 1 10 LEU MD1 1 68 PHE QE . . 4.140 3.186 2.559 4.006 . 0 0 "[ . 1 . 2]" 1
72 1 10 LEU MD2 1 45 TRP HZ2 . . 4.500 3.818 2.976 4.547 0.047 7 0 "[ . 1 . 2]" 1
73 1 10 LEU MD2 1 67 TYR QD . . 3.500 3.574 3.433 3.663 0.163 16 0 "[ . 1 . 2]" 1
74 1 10 LEU MD2 1 68 PHE HZ . . 3.950 3.631 2.530 3.990 0.040 6 0 "[ . 1 . 2]" 1
75 1 11 LEU H 1 11 LEU HB2 . . 3.300 2.191 1.980 2.379 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU H 1 11 LEU HB3 . . 3.250 3.201 2.146 3.447 0.197 13 0 "[ . 1 . 2]" 1
77 1 11 LEU H 1 11 LEU MD2 . . 4.560 3.481 3.150 4.269 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU H 1 11 LEU HG . . 3.930 2.757 2.200 4.119 0.189 17 0 "[ . 1 . 2]" 1
79 1 11 LEU H 1 12 GLY H . . 3.560 2.702 2.515 2.807 . 0 0 "[ . 1 . 2]" 1
80 1 11 LEU HA 1 11 LEU MD2 . . 3.230 2.134 1.985 3.503 0.273 17 0 "[ . 1 . 2]" 1
81 1 11 LEU HA 1 14 ILE H . . 3.580 3.348 3.119 3.499 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU HA 1 14 ILE HB . . 2.800 2.423 2.100 2.836 0.036 16 0 "[ . 1 . 2]" 1
83 1 11 LEU HA 1 14 ILE MD . . 3.180 2.084 1.899 2.222 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU HA 1 14 ILE MG . . 4.850 3.714 3.519 3.968 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU HA 1 15 THR H . . 4.600 4.108 3.747 4.541 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU HB2 1 11 LEU MD2 . . 3.630 3.023 1.995 3.220 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU HB3 1 12 GLY H . . 3.690 3.341 2.419 3.699 0.009 6 0 "[ . 1 . 2]" 1
88 1 11 LEU MD2 1 12 GLY H . . 5.150 4.683 4.101 4.835 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU MD2 1 14 ILE HB . . 4.720 3.396 2.579 4.668 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU MD2 1 14 ILE MD . . 3.970 2.163 1.874 3.848 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU MD2 1 21 GLN HE21 . . 4.860 3.736 2.698 4.735 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU MD2 1 21 GLN HE22 . . 4.880 3.673 1.965 4.890 0.010 5 0 "[ . 1 . 2]" 1
93 1 12 GLY H 1 13 LYS H . . 3.440 2.770 2.590 3.005 . 0 0 "[ . 1 . 2]" 1
94 1 12 GLY H 1 14 ILE H . . 5.290 3.993 3.894 4.130 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLY H 1 14 ILE MD . . 5.500 5.081 4.829 5.272 . 0 0 "[ . 1 . 2]" 1
96 1 13 LYS H 1 13 LYS HB2 . . 3.170 2.380 2.140 3.456 0.286 3 0 "[ . 1 . 2]" 1
97 1 13 LYS H 1 13 LYS HB3 . . 3.290 2.887 2.239 3.460 0.170 17 0 "[ . 1 . 2]" 1
98 1 13 LYS H 1 13 LYS QG . . 3.660 2.935 2.159 3.843 0.183 19 0 "[ . 1 . 2]" 1
99 1 13 LYS H 1 14 ILE H . . 3.290 2.509 2.437 2.588 . 0 0 "[ . 1 . 2]" 1
100 1 13 LYS H 1 14 ILE MD . . 5.200 5.196 5.018 5.249 0.049 4 0 "[ . 1 . 2]" 1
101 1 13 LYS H 1 67 TYR QE . . 4.970 3.850 3.070 4.509 . 0 0 "[ . 1 . 2]" 1
102 1 13 LYS HA 1 13 LYS HD2 . . 3.680 3.182 2.070 3.868 0.188 3 0 "[ . 1 . 2]" 1
103 1 13 LYS HA 1 13 LYS QG . . 3.930 2.861 2.554 3.557 . 0 0 "[ . 1 . 2]" 1
104 1 13 LYS HA 1 16 GLU H . . 3.830 3.326 3.068 3.644 . 0 0 "[ . 1 . 2]" 1
105 1 13 LYS HA 1 16 GLU HB2 . . 3.480 2.677 2.073 3.187 . 0 0 "[ . 1 . 2]" 1
106 1 13 LYS HA 1 17 LYS H . . 4.430 4.228 3.824 4.489 0.059 19 0 "[ . 1 . 2]" 1
107 1 13 LYS HB2 1 67 TYR QE . . 3.900 3.096 2.143 4.066 0.166 3 0 "[ . 1 . 2]" 1
108 1 13 LYS HE2 1 13 LYS QG . . 3.720 2.521 2.278 3.308 . 0 0 "[ . 1 . 2]" 1
109 1 13 LYS HE2 1 59 LEU MD2 . . 4.230 3.254 1.878 4.261 0.031 8 0 "[ . 1 . 2]" 1
110 1 13 LYS HE3 1 59 LEU MD2 . . 4.210 3.534 2.529 4.231 0.021 18 0 "[ . 1 . 2]" 1
111 1 13 LYS QG 1 14 ILE H . . 4.010 3.771 2.745 4.102 0.092 5 0 "[ . 1 . 2]" 1
112 1 13 LYS QG 1 57 LEU MD1 . . 4.200 3.165 1.824 4.208 0.008 3 0 "[ . 1 . 2]" 1
113 1 13 LYS QG 1 59 LEU MD2 . . 4.750 2.413 1.974 4.233 . 0 0 "[ . 1 . 2]" 1
114 1 13 LYS QG 1 67 TYR QE . . 4.710 2.610 1.893 3.398 . 0 0 "[ . 1 . 2]" 1
115 1 13 LYS HG2 1 67 TYR QE . . 3.450 2.852 1.915 3.483 0.033 13 0 "[ . 1 . 2]" 1
116 1 14 ILE H 1 14 ILE HB . . 3.030 2.521 2.454 2.606 . 0 0 "[ . 1 . 2]" 1
117 1 14 ILE H 1 14 ILE MD . . 3.900 3.643 3.517 3.701 . 0 0 "[ . 1 . 2]" 1
118 1 14 ILE H 1 14 ILE HG12 . . 3.410 3.412 3.350 3.456 0.046 16 0 "[ . 1 . 2]" 1
119 1 14 ILE H 1 14 ILE HG13 . . 3.740 2.188 2.102 2.272 . 0 0 "[ . 1 . 2]" 1
120 1 14 ILE H 1 14 ILE MG . . 3.840 3.780 3.740 3.818 . 0 0 "[ . 1 . 2]" 1
121 1 14 ILE H 1 15 THR H . . 3.480 2.750 2.501 2.863 . 0 0 "[ . 1 . 2]" 1
122 1 14 ILE H 1 16 GLU H . . 4.570 4.064 3.854 4.238 . 0 0 "[ . 1 . 2]" 1
123 1 14 ILE H 1 57 LEU MD1 . . 4.830 3.399 2.931 4.215 . 0 0 "[ . 1 . 2]" 1
124 1 14 ILE HA 1 14 ILE MD . . 3.950 3.825 3.780 3.860 . 0 0 "[ . 1 . 2]" 1
125 1 14 ILE HA 1 14 ILE HG12 . . 3.380 2.494 2.452 2.540 . 0 0 "[ . 1 . 2]" 1
126 1 14 ILE HA 1 14 ILE HG13 . . 3.350 2.993 2.882 3.052 . 0 0 "[ . 1 . 2]" 1
127 1 14 ILE HA 1 14 ILE MG . . 2.960 2.467 2.432 2.506 . 0 0 "[ . 1 . 2]" 1
128 1 14 ILE HA 1 17 LYS H . . 4.460 3.524 3.208 3.755 . 0 0 "[ . 1 . 2]" 1
129 1 14 ILE HA 1 17 LYS HB2 . . 4.000 3.402 2.653 3.918 . 0 0 "[ . 1 . 2]" 1
130 1 14 ILE HA 1 18 CYS H . . 4.010 3.437 3.282 3.595 . 0 0 "[ . 1 . 2]" 1
131 1 14 ILE HA 1 57 LEU MD1 . . 3.220 2.258 2.023 2.637 . 0 0 "[ . 1 . 2]" 1
132 1 14 ILE HB 1 14 ILE MD . . 3.490 2.459 2.428 2.490 . 0 0 "[ . 1 . 2]" 1
133 1 14 ILE HB 1 15 THR H . . 3.380 2.549 2.332 2.752 . 0 0 "[ . 1 . 2]" 1
134 1 14 ILE MD 1 14 ILE MG . . 2.710 1.906 1.871 1.951 . 0 0 "[ . 1 . 2]" 1
135 1 14 ILE MD 1 15 THR H . . 5.440 4.587 4.396 4.762 . 0 0 "[ . 1 . 2]" 1
136 1 14 ILE MD 1 57 LEU MD1 . . 5.030 3.793 3.006 4.335 . 0 0 "[ . 1 . 2]" 1
137 1 14 ILE HG13 1 14 ILE MG . . 3.550 3.203 3.187 3.215 . 0 0 "[ . 1 . 2]" 1
138 1 14 ILE HG13 1 57 LEU MD1 . . 4.100 3.133 2.358 3.891 . 0 0 "[ . 1 . 2]" 1
139 1 14 ILE MG 1 15 THR H . . 4.300 3.269 3.128 3.434 . 0 0 "[ . 1 . 2]" 1
140 1 14 ILE MG 1 15 THR HA . . 4.680 3.300 3.143 3.450 . 0 0 "[ . 1 . 2]" 1
141 1 14 ILE MG 1 15 THR HG1 . . 5.500 4.030 3.521 5.163 . 0 0 "[ . 1 . 2]" 1
142 1 14 ILE MG 1 18 CYS H . . 4.980 3.777 3.536 4.051 . 0 0 "[ . 1 . 2]" 1
143 1 14 ILE MG 1 18 CYS HA . . 5.500 5.097 4.802 5.407 . 0 0 "[ . 1 . 2]" 1
144 1 14 ILE MG 1 18 CYS HB2 . . 4.260 2.568 2.287 2.897 . 0 0 "[ . 1 . 2]" 1
145 1 14 ILE MG 1 18 CYS HB3 . . 4.080 3.684 3.372 4.079 . 0 0 "[ . 1 . 2]" 1
146 1 14 ILE MG 1 19 GLY H . . 5.400 3.352 3.096 3.708 . 0 0 "[ . 1 . 2]" 1
147 1 14 ILE MG 1 20 THR H . . 5.300 3.513 3.282 3.701 . 0 0 "[ . 1 . 2]" 1
148 1 14 ILE MG 1 20 THR HA . . 5.210 3.209 2.924 3.508 . 0 0 "[ . 1 . 2]" 1
149 1 14 ILE MG 1 21 GLN HA . . 3.410 2.510 2.155 2.816 . 0 0 "[ . 1 . 2]" 1
150 1 14 ILE MG 1 21 GLN HB2 . . 5.500 4.605 3.615 5.168 . 0 0 "[ . 1 . 2]" 1
151 1 14 ILE MG 1 21 GLN HG3 . . 4.770 3.537 2.146 4.808 0.038 14 0 "[ . 1 . 2]" 1
152 1 14 ILE MG 1 24 PHE H . . 4.370 3.485 3.270 3.646 . 0 0 "[ . 1 . 2]" 1
153 1 14 ILE MG 1 24 PHE HB2 . . 4.060 2.025 1.902 2.443 . 0 0 "[ . 1 . 2]" 1
154 1 14 ILE MG 1 24 PHE HB3 . . 3.780 3.335 3.157 3.761 . 0 0 "[ . 1 . 2]" 1
155 1 14 ILE MG 1 24 PHE QD . . 4.640 2.460 2.038 3.011 . 0 0 "[ . 1 . 2]" 1
156 1 14 ILE MG 1 25 ALA H . . 5.310 4.835 4.666 5.164 . 0 0 "[ . 1 . 2]" 1
157 1 15 THR H 1 15 THR HB . . 3.150 2.578 2.470 2.686 . 0 0 "[ . 1 . 2]" 1
158 1 15 THR H 1 15 THR HG1 . . 4.380 2.396 1.933 3.419 . 0 0 "[ . 1 . 2]" 1
159 1 15 THR H 1 15 THR MG . . 3.960 3.719 3.651 3.760 . 0 0 "[ . 1 . 2]" 1
160 1 15 THR H 1 16 GLU H . . 3.460 2.636 2.539 2.774 . 0 0 "[ . 1 . 2]" 1
161 1 15 THR H 1 16 GLU HB2 . . 4.980 4.505 4.278 4.763 . 0 0 "[ . 1 . 2]" 1
162 1 15 THR H 1 17 LYS H . . 5.040 4.184 3.990 4.426 . 0 0 "[ . 1 . 2]" 1
163 1 15 THR HA 1 15 THR MG . . 3.330 2.303 2.209 2.392 . 0 0 "[ . 1 . 2]" 1
164 1 15 THR HA 1 18 CYS H . . 4.580 4.026 3.787 4.154 . 0 0 "[ . 1 . 2]" 1
165 1 15 THR HA 1 19 GLY H . . 3.530 2.580 2.253 2.728 . 0 0 "[ . 1 . 2]" 1
166 1 15 THR HA 1 19 GLY HA3 . . 4.080 3.985 3.698 4.109 0.029 5 0 "[ . 1 . 2]" 1
167 1 15 THR HB 1 16 GLU H . . 2.980 2.636 2.373 2.985 0.005 13 0 "[ . 1 . 2]" 1
168 1 15 THR HB 1 16 GLU HB2 . . 4.190 4.216 3.800 4.303 0.113 1 0 "[ . 1 . 2]" 1
169 1 15 THR HG1 1 16 GLU H . . 5.080 4.259 3.841 5.021 . 0 0 "[ . 1 . 2]" 1
170 1 15 THR MG 1 16 GLU H . . 4.110 3.651 3.467 3.885 . 0 0 "[ . 1 . 2]" 1
171 1 15 THR MG 1 16 GLU HA . . 4.230 3.592 3.290 3.870 . 0 0 "[ . 1 . 2]" 1
172 1 15 THR MG 1 19 GLY H . . 4.640 4.160 3.961 4.330 . 0 0 "[ . 1 . 2]" 1
173 1 15 THR MG 1 19 GLY HA3 . . 4.430 4.484 4.310 4.542 0.112 5 0 "[ . 1 . 2]" 1
174 1 16 GLU H 1 16 GLU HB2 . . 2.740 2.119 1.931 2.338 . 0 0 "[ . 1 . 2]" 1
175 1 16 GLU H 1 16 GLU HG2 . . 4.010 3.765 3.473 4.148 0.138 4 0 "[ . 1 . 2]" 1
176 1 16 GLU H 1 16 GLU HG3 . . 4.400 2.897 2.269 4.403 0.003 15 0 "[ . 1 . 2]" 1
177 1 16 GLU H 1 17 LYS H . . 3.390 2.599 2.395 2.839 . 0 0 "[ . 1 . 2]" 1
178 1 16 GLU H 1 17 LYS HA . . 5.500 5.132 4.945 5.303 . 0 0 "[ . 1 . 2]" 1
179 1 16 GLU H 1 17 LYS HD2 . . 4.960 4.908 4.605 5.018 0.058 8 0 "[ . 1 . 2]" 1
180 1 16 GLU H 1 18 CYS H . . 5.500 4.134 3.825 4.353 . 0 0 "[ . 1 . 2]" 1
181 1 16 GLU HA 1 16 GLU HB2 . . 2.730 2.798 2.432 2.903 0.173 3 0 "[ . 1 . 2]" 1
182 1 16 GLU HA 1 16 GLU HG2 . . 3.790 2.597 2.353 3.531 . 0 0 "[ . 1 . 2]" 1
183 1 16 GLU HA 1 16 GLU HG3 . . 3.280 2.880 2.534 3.095 . 0 0 "[ . 1 . 2]" 1
184 1 16 GLU HA 1 19 GLY H . . 4.850 4.930 4.863 4.994 0.144 1 0 "[ . 1 . 2]" 1
185 1 16 GLU HB2 1 17 LYS H . . 3.490 3.142 2.677 3.647 0.157 4 0 "[ . 1 . 2]" 1
186 1 16 GLU HB2 1 17 LYS QD . . 4.570 3.467 2.809 4.153 . 0 0 "[ . 1 . 2]" 1
187 1 17 LYS H 1 17 LYS HB2 . . 3.520 2.016 1.927 2.240 . 0 0 "[ . 1 . 2]" 1
188 1 17 LYS H 1 17 LYS HB3 . . 3.010 3.108 3.013 3.167 0.157 12 0 "[ . 1 . 2]" 1
189 1 17 LYS H 1 17 LYS HD2 . . 3.260 3.254 3.062 3.379 0.119 14 0 "[ . 1 . 2]" 1
190 1 17 LYS H 1 17 LYS HE3 . . 5.500 5.535 5.371 5.607 0.107 11 0 "[ . 1 . 2]" 1
191 1 17 LYS H 1 18 CYS H . . 3.410 2.198 2.128 2.276 . 0 0 "[ . 1 . 2]" 1
192 1 17 LYS H 1 18 CYS HA . . 5.490 4.801 4.734 4.869 . 0 0 "[ . 1 . 2]" 1
193 1 17 LYS H 1 18 CYS HB3 . . 5.500 5.629 5.594 5.664 0.164 8 0 "[ . 1 . 2]" 1
194 1 17 LYS H 1 19 GLY H . . 3.740 3.433 3.259 3.598 . 0 0 "[ . 1 . 2]" 1
195 1 17 LYS H 1 57 LEU MD1 . . 4.660 3.873 3.483 4.467 . 0 0 "[ . 1 . 2]" 1
196 1 17 LYS HA 1 17 LYS QD . . 2.620 2.177 1.938 2.455 . 0 0 "[ . 1 . 2]" 1
197 1 17 LYS HA 1 17 LYS HE2 . . 4.680 4.087 3.364 4.722 0.042 18 0 "[ . 1 . 2]" 1
198 1 17 LYS HA 1 17 LYS HG2 . . 4.150 3.514 3.439 3.572 . 0 0 "[ . 1 . 2]" 1
199 1 17 LYS HA 1 17 LYS HG3 . . 4.070 2.331 2.242 2.417 . 0 0 "[ . 1 . 2]" 1
200 1 17 LYS HA 1 19 GLY H . . 5.280 5.089 4.878 5.311 0.031 16 0 "[ . 1 . 2]" 1
201 1 17 LYS HB2 1 17 LYS QD . . 3.280 2.337 2.290 2.403 . 0 0 "[ . 1 . 2]" 1
202 1 17 LYS HB2 1 17 LYS HE2 . . 4.650 4.564 4.299 4.679 0.029 16 0 "[ . 1 . 2]" 1
203 1 17 LYS HB2 1 19 GLY H . . 5.500 4.773 4.494 5.195 . 0 0 "[ . 1 . 2]" 1
204 1 17 LYS HB2 1 57 LEU MD1 . . 3.240 2.561 2.141 3.327 0.087 15 0 "[ . 1 . 2]" 1
205 1 17 LYS HB3 1 17 LYS QD . . 3.400 3.288 3.234 3.313 . 0 0 "[ . 1 . 2]" 1
206 1 17 LYS HB3 1 18 CYS H . . 3.480 2.893 2.638 2.999 . 0 0 "[ . 1 . 2]" 1
207 1 17 LYS HB3 1 19 GLY H . . 4.720 4.816 4.674 4.873 0.153 13 0 "[ . 1 . 2]" 1
208 1 17 LYS HE2 1 17 LYS HG2 . . 4.090 3.229 2.484 3.724 . 0 0 "[ . 1 . 2]" 1
209 1 17 LYS HE2 1 17 LYS HG3 . . 3.950 2.927 2.385 3.732 . 0 0 "[ . 1 . 2]" 1
210 1 18 CYS H 1 18 CYS HB2 . . 3.820 2.296 2.251 2.327 . 0 0 "[ . 1 . 2]" 1
211 1 18 CYS H 1 18 CYS HB3 . . 3.410 3.477 3.442 3.510 0.100 3 0 "[ . 1 . 2]" 1
212 1 18 CYS H 1 18 CYS HG . . 4.470 3.723 2.931 4.149 . 0 0 "[ . 1 . 2]" 1
213 1 18 CYS H 1 19 GLY H . . 2.810 1.941 1.877 2.044 . 0 0 "[ . 1 . 2]" 1
214 1 18 CYS H 1 19 GLY HA3 . . 4.350 4.478 4.446 4.511 0.161 12 0 "[ . 1 . 2]" 1
215 1 18 CYS H 1 20 THR H . . 4.630 4.628 4.408 4.695 0.065 18 0 "[ . 1 . 2]" 1
216 1 18 CYS H 1 57 LEU MD1 . . 4.920 4.097 3.578 4.934 0.014 14 0 "[ . 1 . 2]" 1
217 1 18 CYS HB2 1 20 THR H . . 3.770 3.326 3.148 3.534 . 0 0 "[ . 1 . 2]" 1
218 1 18 CYS HB2 1 24 PHE H . . 4.870 3.617 3.471 3.846 . 0 0 "[ . 1 . 2]" 1
219 1 18 CYS HB3 1 20 THR H . . 4.070 3.429 3.310 3.594 . 0 0 "[ . 1 . 2]" 1
220 1 18 CYS HB3 1 24 PHE H . . 4.160 2.975 2.796 3.287 . 0 0 "[ . 1 . 2]" 1
221 1 18 CYS HG 1 19 GLY H . . 5.280 5.049 4.302 5.297 0.017 5 0 "[ . 1 . 2]" 1
222 1 18 CYS HG 1 24 PHE H . . 5.500 5.371 4.837 5.525 0.025 3 0 "[ . 1 . 2]" 1
223 1 19 GLY H 1 20 THR MG . . 4.620 4.759 4.734 4.791 0.171 1 0 "[ . 1 . 2]" 1
224 1 19 GLY HA2 1 20 THR H . . 3.380 3.460 3.432 3.477 0.097 2 0 "[ . 1 . 2]" 1
225 1 19 GLY HA2 1 23 ASN HD21 . . 4.470 4.537 4.472 4.574 0.104 11 0 "[ . 1 . 2]" 1
226 1 19 GLY HA2 1 23 ASN HD22 . . 4.440 3.776 3.440 4.261 . 0 0 "[ . 1 . 2]" 1
227 1 19 GLY HA3 1 20 THR MG . . 4.680 3.083 2.918 3.432 . 0 0 "[ . 1 . 2]" 1
228 1 20 THR H 1 20 THR HG1 . . 4.280 3.478 3.018 3.843 . 0 0 "[ . 1 . 2]" 1
229 1 20 THR H 1 20 THR MG . . 3.620 2.886 2.707 3.248 . 0 0 "[ . 1 . 2]" 1
230 1 20 THR H 1 23 ASN H . . 4.600 3.360 3.154 3.556 . 0 0 "[ . 1 . 2]" 1
231 1 20 THR H 1 23 ASN HB2 . . 3.480 1.957 1.857 2.218 . 0 0 "[ . 1 . 2]" 1
232 1 20 THR H 1 23 ASN HB3 . . 4.080 3.465 3.218 3.769 . 0 0 "[ . 1 . 2]" 1
233 1 20 THR H 1 23 ASN HD21 . . 4.250 3.739 3.264 4.356 0.106 3 0 "[ . 1 . 2]" 1
234 1 20 THR HA 1 20 THR MG . . 3.450 2.392 2.330 2.452 . 0 0 "[ . 1 . 2]" 1
235 1 20 THR HA 1 21 GLN H . . 2.980 2.565 2.444 2.646 . 0 0 "[ . 1 . 2]" 1
236 1 20 THR HA 1 21 GLN HA . . 4.360 4.359 4.302 4.386 0.026 1 0 "[ . 1 . 2]" 1
237 1 20 THR HB 1 22 TYR H . . 3.070 2.676 2.458 2.892 . 0 0 "[ . 1 . 2]" 1
238 1 20 THR HB 1 23 ASN H . . 4.210 3.771 3.546 4.031 . 0 0 "[ . 1 . 2]" 1
239 1 20 THR HG1 1 21 GLN H . . 5.160 4.331 4.003 4.567 . 0 0 "[ . 1 . 2]" 1
240 1 20 THR HG1 1 22 TYR H . . 3.750 3.451 3.043 3.753 0.003 4 0 "[ . 1 . 2]" 1
241 1 20 THR HG1 1 22 TYR HB2 . . 4.480 3.589 3.037 4.084 . 0 0 "[ . 1 . 2]" 1
242 1 20 THR HG1 1 22 TYR QD . . 4.120 3.732 3.358 4.177 0.057 1 0 "[ . 1 . 2]" 1
243 1 20 THR HG1 1 23 ASN H . . 3.330 2.702 2.513 2.875 . 0 0 "[ . 1 . 2]" 1
244 1 20 THR HG1 1 23 ASN HD21 . . 5.090 3.599 2.961 4.417 . 0 0 "[ . 1 . 2]" 1
245 1 20 THR HG1 1 23 ASN HD22 . . 5.090 4.101 2.458 5.040 . 0 0 "[ . 1 . 2]" 1
246 1 20 THR MG 1 21 GLN H . . 4.690 3.686 3.510 3.777 . 0 0 "[ . 1 . 2]" 1
247 1 20 THR MG 1 22 TYR H . . 4.420 4.139 4.005 4.242 . 0 0 "[ . 1 . 2]" 1
248 1 20 THR MG 1 22 TYR HB2 . . 4.960 4.607 4.214 4.962 0.002 10 0 "[ . 1 . 2]" 1
249 1 20 THR MG 1 23 ASN H . . 4.400 4.054 3.939 4.184 . 0 0 "[ . 1 . 2]" 1
250 1 20 THR MG 1 23 ASN HB2 . . 4.450 4.136 3.957 4.328 . 0 0 "[ . 1 . 2]" 1
251 1 20 THR MG 1 23 ASN HD21 . . 5.420 3.495 2.914 4.403 . 0 0 "[ . 1 . 2]" 1
252 1 20 THR MG 1 23 ASN HD22 . . 5.400 3.767 2.614 4.853 . 0 0 "[ . 1 . 2]" 1
253 1 21 GLN H 1 21 GLN HB2 . . 3.780 2.454 2.084 2.627 . 0 0 "[ . 1 . 2]" 1
254 1 21 GLN H 1 21 GLN HB3 . . 4.170 3.492 2.431 3.630 . 0 0 "[ . 1 . 2]" 1
255 1 21 GLN H 1 21 GLN HG2 . . 4.090 3.639 3.260 4.253 0.163 14 0 "[ . 1 . 2]" 1
256 1 21 GLN H 1 21 GLN HG3 . . 4.640 2.681 2.099 4.375 . 0 0 "[ . 1 . 2]" 1
257 1 21 GLN H 1 22 TYR H . . 3.690 2.430 2.254 2.575 . 0 0 "[ . 1 . 2]" 1
258 1 21 GLN HA 1 21 GLN HG2 . . 3.690 2.910 2.506 3.696 0.006 9 0 "[ . 1 . 2]" 1
259 1 21 GLN HA 1 21 GLN HG3 . . 3.300 2.916 2.209 3.231 . 0 0 "[ . 1 . 2]" 1
260 1 21 GLN HA 1 24 PHE H . . 3.730 3.327 3.145 3.618 . 0 0 "[ . 1 . 2]" 1
261 1 21 GLN HA 1 24 PHE HB2 . . 3.030 2.471 2.207 2.808 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLN HA 1 24 PHE HB3 . . 3.730 2.467 2.312 2.720 . 0 0 "[ . 1 . 2]" 1
263 1 21 GLN HA 1 24 PHE QD . . 4.080 3.724 3.087 4.090 0.010 14 0 "[ . 1 . 2]" 1
264 1 21 GLN HB2 1 22 TYR H . . 3.650 2.939 2.591 3.679 0.029 14 0 "[ . 1 . 2]" 1
265 1 21 GLN HB3 1 24 PHE H . . 5.500 5.321 5.181 5.456 . 0 0 "[ . 1 . 2]" 1
266 1 21 GLN HB3 1 25 ALA H . . 5.500 4.856 4.590 5.496 . 0 0 "[ . 1 . 2]" 1
267 1 21 GLN HG3 1 22 TYR H . . 4.520 4.360 4.041 4.697 0.177 16 0 "[ . 1 . 2]" 1
268 1 22 TYR H 1 22 TYR HB2 . . 3.090 2.387 2.216 2.545 . 0 0 "[ . 1 . 2]" 1
269 1 22 TYR H 1 22 TYR HB3 . . 3.110 2.570 2.440 2.720 . 0 0 "[ . 1 . 2]" 1
270 1 22 TYR H 1 22 TYR QD . . 4.230 4.154 4.073 4.194 . 0 0 "[ . 1 . 2]" 1
271 1 22 TYR H 1 23 ASN H . . 3.390 2.680 2.519 2.861 . 0 0 "[ . 1 . 2]" 1
272 1 22 TYR H 1 24 PHE H . . 4.610 3.872 3.707 4.015 . 0 0 "[ . 1 . 2]" 1
273 1 22 TYR HA 1 22 TYR QD . . 3.130 2.581 2.262 3.178 0.048 9 0 "[ . 1 . 2]" 1
274 1 22 TYR HA 1 25 ALA H . . 4.170 3.714 3.558 3.983 . 0 0 "[ . 1 . 2]" 1
275 1 22 TYR HA 1 25 ALA MB . . 3.440 2.881 2.645 3.066 . 0 0 "[ . 1 . 2]" 1
276 1 22 TYR HA 1 32 GLU HG2 . . 5.300 4.002 2.184 5.183 . 0 0 "[ . 1 . 2]" 1
277 1 22 TYR HB2 1 23 ASN H . . 3.230 3.359 3.279 3.389 0.159 11 0 "[ . 1 . 2]" 1
278 1 22 TYR QD 1 23 ASN H . . 3.770 3.213 2.863 3.591 . 0 0 "[ . 1 . 2]" 1
279 1 22 TYR QD 1 23 ASN HA . . 3.910 3.432 2.663 3.931 0.021 10 0 "[ . 1 . 2]" 1
280 1 22 TYR QD 1 25 ALA H . . 5.500 5.497 5.330 5.583 0.083 4 0 "[ . 1 . 2]" 1
281 1 22 TYR QD 1 25 ALA MB . . 4.230 4.048 3.597 4.323 0.093 1 0 "[ . 1 . 2]" 1
282 1 22 TYR QD 1 26 ILE MD . . 3.800 3.500 2.903 3.787 . 0 0 "[ . 1 . 2]" 1
283 1 22 TYR QE 1 26 ILE MD . . 3.230 2.896 2.334 3.165 . 0 0 "[ . 1 . 2]" 1
284 1 23 ASN H 1 23 ASN HB2 . . 3.010 2.482 2.388 2.584 . 0 0 "[ . 1 . 2]" 1
285 1 23 ASN H 1 23 ASN HB3 . . 3.520 3.593 3.550 3.631 0.111 11 0 "[ . 1 . 2]" 1
286 1 23 ASN H 1 23 ASN HD21 . . 4.860 4.432 3.822 4.699 . 0 0 "[ . 1 . 2]" 1
287 1 23 ASN H 1 24 PHE H . . 3.350 2.714 2.600 2.823 . 0 0 "[ . 1 . 2]" 1
288 1 23 ASN H 1 25 ALA H . . 4.580 4.316 4.215 4.539 . 0 0 "[ . 1 . 2]" 1
289 1 23 ASN HA 1 23 ASN HB3 . . 2.990 2.491 2.462 2.526 . 0 0 "[ . 1 . 2]" 1
290 1 23 ASN HA 1 23 ASN HD22 . . 5.260 4.298 4.030 4.466 . 0 0 "[ . 1 . 2]" 1
291 1 23 ASN HA 1 25 ALA H . . 4.800 4.536 4.395 4.699 . 0 0 "[ . 1 . 2]" 1
292 1 23 ASN HA 1 26 ILE H . . 3.840 3.295 3.040 3.589 . 0 0 "[ . 1 . 2]" 1
293 1 23 ASN HA 1 26 ILE HB . . 3.110 2.684 2.365 3.063 . 0 0 "[ . 1 . 2]" 1
294 1 23 ASN HA 1 26 ILE MD . . 3.810 3.679 2.458 3.905 0.095 13 0 "[ . 1 . 2]" 1
295 1 23 ASN HA 1 26 ILE HG12 . . 4.340 2.768 2.420 4.376 0.036 15 0 "[ . 1 . 2]" 1
296 1 23 ASN HA 1 26 ILE HG13 . . 4.150 2.547 2.351 2.860 . 0 0 "[ . 1 . 2]" 1
297 1 23 ASN HA 1 27 ALA H . . 4.730 4.089 3.880 4.452 . 0 0 "[ . 1 . 2]" 1
298 1 23 ASN HB2 1 23 ASN HD22 . . 3.890 2.532 2.224 2.859 . 0 0 "[ . 1 . 2]" 1
299 1 23 ASN HB2 1 24 PHE H . . 3.220 2.477 2.343 2.605 . 0 0 "[ . 1 . 2]" 1
300 1 23 ASN HB3 1 24 PHE H . . 3.420 3.473 3.438 3.521 0.101 1 0 "[ . 1 . 2]" 1
301 1 24 PHE H 1 24 PHE HB2 . . 3.150 2.313 2.247 2.404 . 0 0 "[ . 1 . 2]" 1
302 1 24 PHE H 1 24 PHE HB3 . . 3.370 2.592 2.530 2.657 . 0 0 "[ . 1 . 2]" 1
303 1 24 PHE H 1 24 PHE QD . . 4.170 4.148 4.102 4.187 0.017 1 0 "[ . 1 . 2]" 1
304 1 24 PHE H 1 25 ALA H . . 3.250 2.778 2.683 2.870 . 0 0 "[ . 1 . 2]" 1
305 1 24 PHE H 1 25 ALA MB . . 4.880 4.331 4.222 4.415 . 0 0 "[ . 1 . 2]" 1
306 1 24 PHE H 1 27 ALA MB . . 5.500 4.830 4.617 5.079 . 0 0 "[ . 1 . 2]" 1
307 1 24 PHE HA 1 24 PHE QD . . 3.460 2.676 2.184 3.155 . 0 0 "[ . 1 . 2]" 1
308 1 24 PHE HA 1 26 ILE H . . 5.230 4.568 4.472 4.687 . 0 0 "[ . 1 . 2]" 1
309 1 24 PHE HA 1 27 ALA H . . 4.050 3.726 3.526 3.956 . 0 0 "[ . 1 . 2]" 1
310 1 24 PHE HA 1 27 ALA MB . . 3.710 2.991 2.685 3.482 . 0 0 "[ . 1 . 2]" 1
311 1 24 PHE HB2 1 25 ALA H . . 3.270 3.386 3.352 3.408 0.138 15 0 "[ . 1 . 2]" 1
312 1 24 PHE HB3 1 25 ALA H . . 3.640 1.993 1.941 2.051 . 0 0 "[ . 1 . 2]" 1
313 1 24 PHE QR 1 25 ALA H . . 5.500 3.217 2.977 3.666 . 0 0 "[ . 1 . 2]" 1
314 1 24 PHE QR 1 28 MET ME . . 3.840 3.686 2.959 4.124 0.284 6 0 "[ . 1 . 2]" 1
315 1 24 PHE QR 1 28 MET HG3 . . 4.900 3.690 2.561 4.713 . 0 0 "[ . 1 . 2]" 1
316 1 24 PHE QR 1 35 VAL QG . . 4.080 1.932 1.787 2.333 . 0 0 "[ . 1 . 2]" 1
317 1 24 PHE QR 1 53 ALA H . . 4.740 5.767 5.052 6.256 1.516 18 19 [*-************.**+**] 1
318 1 24 PHE QR 1 53 ALA HA . . 3.560 4.107 2.897 4.865 1.305 18 12 "[ **-* *** * .**+ *]" 1
319 1 24 PHE QR 1 53 ALA MB . . 3.660 3.106 2.418 3.729 0.069 18 0 "[ . 1 . 2]" 1
320 1 24 PHE QR 1 56 VAL H . . 4.920 6.155 5.003 6.784 1.864 18 19 [*-************.**+**] 1
321 1 24 PHE QR 1 56 VAL HB . . 4.700 4.667 3.355 5.296 0.596 16 2 "[ . 1 .+ - 2]" 1
322 1 24 PHE QR 1 56 VAL MG1 . . 4.180 4.163 3.294 4.722 0.542 16 1 "[ . 1 .+ 2]" 1
323 1 24 PHE QR 1 57 LEU H . . 4.560 4.828 4.083 5.347 0.787 18 2 "[ - . 1 . + 2]" 1
324 1 24 PHE QR 1 57 LEU HG . . 4.330 2.426 2.012 3.018 . 0 0 "[ . 1 . 2]" 1
325 1 24 PHE QD 1 25 ALA H . . 4.020 3.242 2.995 3.713 . 0 0 "[ . 1 . 2]" 1
326 1 24 PHE QD 1 27 ALA MB . . 5.190 4.413 3.627 4.987 . 0 0 "[ . 1 . 2]" 1
327 1 24 PHE QD 1 35 VAL QG . . 3.640 2.017 1.855 2.503 . 0 0 "[ . 1 . 2]" 1
328 1 25 ALA H 1 25 ALA MB . . 3.020 2.240 2.206 2.276 . 0 0 "[ . 1 . 2]" 1
329 1 25 ALA H 1 26 ILE H . . 3.180 2.858 2.774 2.949 . 0 0 "[ . 1 . 2]" 1
330 1 25 ALA H 1 35 VAL HB . . 5.500 4.945 4.334 5.523 0.023 17 0 "[ . 1 . 2]" 1
331 1 25 ALA H 1 35 VAL QG . . 4.650 3.120 2.795 3.462 . 0 0 "[ . 1 . 2]" 1
332 1 25 ALA HA 1 27 ALA H . . 5.150 4.679 4.483 4.782 . 0 0 "[ . 1 . 2]" 1
333 1 25 ALA HA 1 28 MET H . . 3.950 3.683 3.489 3.863 . 0 0 "[ . 1 . 2]" 1
334 1 25 ALA HA 1 28 MET HB2 . . 3.700 3.065 2.526 3.752 0.052 1 0 "[ . 1 . 2]" 1
335 1 25 ALA HA 1 28 MET HB3 . . 4.360 3.962 2.901 4.447 0.087 7 0 "[ . 1 . 2]" 1
336 1 25 ALA HA 1 29 GLY H . . 4.760 4.269 3.921 4.690 . 0 0 "[ . 1 . 2]" 1
337 1 25 ALA HA 1 30 LEU H . . 3.500 3.411 3.131 3.536 0.036 13 0 "[ . 1 . 2]" 1
338 1 25 ALA HA 1 30 LEU MD2 . . 4.800 4.686 3.752 4.924 0.124 1 0 "[ . 1 . 2]" 1
339 1 25 ALA HA 1 35 VAL QG . . 3.240 2.170 1.923 2.602 . 0 0 "[ . 1 . 2]" 1
340 1 25 ALA MB 1 26 ILE H . . 3.340 2.353 2.156 2.541 . 0 0 "[ . 1 . 2]" 1
341 1 25 ALA MB 1 26 ILE MD . . 5.320 3.428 3.110 4.380 . 0 0 "[ . 1 . 2]" 1
342 1 25 ALA MB 1 30 LEU MD2 . . 5.500 4.721 4.299 4.958 . 0 0 "[ . 1 . 2]" 1
343 1 25 ALA MB 1 31 SER HA . . 4.440 3.313 2.767 3.983 . 0 0 "[ . 1 . 2]" 1
344 1 25 ALA MB 1 32 GLU H . . 4.750 3.184 2.723 3.842 . 0 0 "[ . 1 . 2]" 1
345 1 25 ALA MB 1 32 GLU HA . . 3.290 2.198 1.930 2.668 . 0 0 "[ . 1 . 2]" 1
346 1 25 ALA MB 1 32 GLU HG2 . . 4.660 4.391 3.472 4.732 0.072 9 0 "[ . 1 . 2]" 1
347 1 25 ALA MB 1 32 GLU HG3 . . 4.780 4.227 3.579 4.842 0.062 18 0 "[ . 1 . 2]" 1
348 1 25 ALA MB 1 35 VAL H . . 5.500 3.932 3.500 4.193 . 0 0 "[ . 1 . 2]" 1
349 1 25 ALA MB 1 35 VAL HB . . 4.010 3.116 2.347 3.884 . 0 0 "[ . 1 . 2]" 1
350 1 25 ALA MB 1 35 VAL QG . . 3.470 1.935 1.860 2.243 . 0 0 "[ . 1 . 2]" 1
351 1 26 ILE H 1 26 ILE HB . . 2.900 2.561 2.505 2.654 . 0 0 "[ . 1 . 2]" 1
352 1 26 ILE H 1 26 ILE MD . . 4.200 3.090 2.856 3.657 . 0 0 "[ . 1 . 2]" 1
353 1 26 ILE H 1 26 ILE HG12 . . 3.380 2.054 1.883 3.040 . 0 0 "[ . 1 . 2]" 1
354 1 26 ILE H 1 26 ILE HG13 . . 3.240 3.170 1.973 3.393 0.153 20 0 "[ . 1 . 2]" 1
355 1 26 ILE H 1 26 ILE MG . . 3.980 3.735 3.711 3.791 . 0 0 "[ . 1 . 2]" 1
356 1 26 ILE H 1 27 ALA MB . . 4.820 4.444 4.353 4.555 . 0 0 "[ . 1 . 2]" 1
357 1 26 ILE HA 1 26 ILE MD . . 3.360 2.350 2.077 3.580 0.220 16 0 "[ . 1 . 2]" 1
358 1 26 ILE HA 1 26 ILE HG12 . . 3.720 2.991 2.230 3.221 . 0 0 "[ . 1 . 2]" 1
359 1 26 ILE HA 1 26 ILE HG13 . . 3.660 3.640 3.066 3.748 0.088 17 0 "[ . 1 . 2]" 1
360 1 26 ILE HA 1 26 ILE MG . . 3.190 2.392 2.333 2.425 . 0 0 "[ . 1 . 2]" 1
361 1 26 ILE HA 1 29 GLY H . . 3.810 3.696 3.553 3.841 0.031 9 0 "[ . 1 . 2]" 1
362 1 26 ILE HA 1 30 LEU H . . 4.690 4.029 3.697 4.391 . 0 0 "[ . 1 . 2]" 1
363 1 26 ILE HB 1 26 ILE MD . . 3.700 3.133 2.497 3.251 . 0 0 "[ . 1 . 2]" 1
364 1 26 ILE HB 1 27 ALA H . . 3.140 2.272 2.138 2.377 . 0 0 "[ . 1 . 2]" 1
365 1 26 ILE HG12 1 27 ALA H . . 4.520 4.070 3.899 4.604 0.084 5 0 "[ . 1 . 2]" 1
366 1 26 ILE HG13 1 27 ALA H . . 4.570 4.467 3.910 4.597 0.027 8 0 "[ . 1 . 2]" 1
367 1 26 ILE MG 1 27 ALA H . . 3.780 3.291 3.160 3.418 . 0 0 "[ . 1 . 2]" 1
368 1 26 ILE MG 1 27 ALA HA . . 4.550 3.355 3.216 3.471 . 0 0 "[ . 1 . 2]" 1
369 1 27 ALA H 1 27 ALA MB . . 2.970 2.235 2.205 2.268 . 0 0 "[ . 1 . 2]" 1
370 1 27 ALA H 1 28 MET H . . 3.350 2.654 2.554 2.788 . 0 0 "[ . 1 . 2]" 1
371 1 27 ALA MB 1 28 MET H . . 3.510 2.630 2.355 2.929 . 0 0 "[ . 1 . 2]" 1
372 1 28 MET H 1 28 MET HB2 . . 3.160 2.294 2.061 2.448 . 0 0 "[ . 1 . 2]" 1
373 1 28 MET H 1 28 MET HG2 . . 4.230 3.636 2.352 4.318 0.088 13 0 "[ . 1 . 2]" 1
374 1 28 MET H 1 28 MET HG3 . . 3.990 3.400 2.520 4.168 0.178 9 0 "[ . 1 . 2]" 1
375 1 28 MET H 1 29 GLY H . . 4.190 2.505 2.336 2.671 . 0 0 "[ . 1 . 2]" 1
376 1 28 MET HA 1 28 MET HB3 . . 2.890 2.688 2.499 2.961 0.071 11 0 "[ . 1 . 2]" 1
377 1 28 MET HA 1 28 MET ME . . 4.130 3.832 3.125 4.242 0.112 11 0 "[ . 1 . 2]" 1
378 1 28 MET HA 1 28 MET HG3 . . 4.230 3.024 2.167 3.764 . 0 0 "[ . 1 . 2]" 1
379 1 28 MET HB2 1 30 LEU H . . 4.340 3.561 2.702 4.387 0.047 17 0 "[ . 1 . 2]" 1
380 1 28 MET HB3 1 30 LEU H . . 4.830 3.585 2.627 4.290 . 0 0 "[ . 1 . 2]" 1
381 1 28 MET HB3 1 30 LEU MD2 . . 4.370 3.710 2.042 4.382 0.012 9 0 "[ . 1 . 2]" 1
382 1 28 MET ME 1 28 MET HG3 . . 3.460 2.882 2.371 3.432 . 0 0 "[ . 1 . 2]" 1
383 1 28 MET ME 1 30 LEU MD2 . . 3.490 3.258 2.248 3.551 0.061 19 0 "[ . 1 . 2]" 1
384 1 28 MET ME 1 52 LYS H . . 4.220 4.029 3.733 4.251 0.031 20 0 "[ . 1 . 2]" 1
385 1 28 MET ME 1 52 LYS HB2 . . 3.500 2.830 2.149 3.531 0.031 16 0 "[ . 1 . 2]" 1
386 1 28 MET ME 1 52 LYS HG2 . . 4.540 4.054 3.081 4.578 0.038 8 0 "[ . 1 . 2]" 1
387 1 28 MET ME 1 53 ALA H . . 3.510 2.855 2.388 3.205 . 0 0 "[ . 1 . 2]" 1
388 1 28 MET ME 1 53 ALA HA . . 4.010 3.408 2.906 4.022 0.012 2 0 "[ . 1 . 2]" 1
389 1 28 MET ME 1 53 ALA MB . . 3.680 2.551 2.107 3.072 . 0 0 "[ . 1 . 2]" 1
390 1 29 GLY H 1 30 LEU H . . 3.030 2.180 1.900 2.480 . 0 0 "[ . 1 . 2]" 1
391 1 29 GLY H 1 30 LEU MD2 . . 5.480 5.130 3.373 5.498 0.018 11 0 "[ . 1 . 2]" 1
392 1 30 LEU H 1 30 LEU HB2 . . 3.350 2.480 2.360 2.594 . 0 0 "[ . 1 . 2]" 1
393 1 30 LEU H 1 30 LEU MD1 . . 4.510 3.729 2.772 4.124 . 0 0 "[ . 1 . 2]" 1
394 1 30 LEU H 1 30 LEU MD2 . . 4.510 3.855 2.662 4.346 . 0 0 "[ . 1 . 2]" 1
395 1 30 LEU H 1 30 LEU HG . . 4.430 3.423 2.921 4.480 0.050 19 0 "[ . 1 . 2]" 1
396 1 30 LEU HA 1 30 LEU MD2 . . 4.380 2.559 2.016 3.854 . 0 0 "[ . 1 . 2]" 1
397 1 30 LEU HA 1 31 SER H . . 3.090 2.330 2.244 2.471 . 0 0 "[ . 1 . 2]" 1
398 1 30 LEU HA 1 34 THR HB . . 4.380 4.384 3.973 4.476 0.096 19 0 "[ . 1 . 2]" 1
399 1 30 LEU HB3 1 31 SER H . . 3.270 2.333 2.116 3.363 0.093 19 0 "[ . 1 . 2]" 1
400 1 30 LEU HB3 1 34 THR HB . . 4.230 2.838 2.144 3.829 . 0 0 "[ . 1 . 2]" 1
401 1 30 LEU HB3 1 35 VAL H . . 4.410 3.607 3.352 4.223 . 0 0 "[ . 1 . 2]" 1
402 1 30 LEU MD1 1 31 SER H . . 4.120 4.075 2.691 4.265 0.145 15 0 "[ . 1 . 2]" 1
403 1 30 LEU MD2 1 31 SER H . . 4.710 3.513 3.091 4.673 . 0 0 "[ . 1 . 2]" 1
404 1 30 LEU MD2 1 35 VAL H . . 5.500 4.427 3.431 5.353 . 0 0 "[ . 1 . 2]" 1
405 1 30 LEU MD2 1 35 VAL QG . . 3.390 3.079 2.008 3.456 0.066 1 0 "[ . 1 . 2]" 1
406 1 31 SER H 1 31 SER HB2 . . 3.160 2.569 2.371 2.834 . 0 0 "[ . 1 . 2]" 1
407 1 31 SER H 1 31 SER HB3 . . 3.590 3.024 2.478 3.625 0.035 14 0 "[ . 1 . 2]" 1
408 1 31 SER H 1 34 THR H . . 4.880 4.036 3.823 4.264 . 0 0 "[ . 1 . 2]" 1
409 1 31 SER H 1 34 THR HB . . 3.370 2.783 2.083 3.242 . 0 0 "[ . 1 . 2]" 1
410 1 31 SER HA 1 31 SER HB2 . . 2.890 2.764 2.527 2.998 0.108 8 0 "[ . 1 . 2]" 1
411 1 31 SER HA 1 32 GLU H . . 3.110 2.281 2.140 2.417 . 0 0 "[ . 1 . 2]" 1
412 1 31 SER HA 1 32 GLU HA . . 4.480 4.284 4.207 4.360 . 0 0 "[ . 1 . 2]" 1
413 1 31 SER HA 1 33 ARG H . . 4.640 4.364 4.024 4.655 0.015 2 0 "[ . 1 . 2]" 1
414 1 31 SER HB2 1 34 THR H . . 4.970 3.698 2.575 4.552 . 0 0 "[ . 1 . 2]" 1
415 1 31 SER HB3 1 32 GLU H . . 3.650 3.412 2.833 3.757 0.107 17 0 "[ . 1 . 2]" 1
416 1 31 SER HB3 1 33 ARG H . . 3.930 3.497 3.143 3.875 . 0 0 "[ . 1 . 2]" 1
417 1 31 SER HB3 1 34 THR H . . 4.370 3.163 2.465 3.974 . 0 0 "[ . 1 . 2]" 1
418 1 32 GLU H 1 32 GLU HB3 . . 3.440 2.661 2.457 2.961 . 0 0 "[ . 1 . 2]" 1
419 1 32 GLU H 1 33 ARG H . . 3.950 2.819 2.514 3.077 . 0 0 "[ . 1 . 2]" 1
420 1 32 GLU H 1 34 THR H . . 5.020 4.219 3.995 4.429 . 0 0 "[ . 1 . 2]" 1
421 1 32 GLU HA 1 32 GLU HG2 . . 3.970 3.455 2.541 4.120 0.150 3 0 "[ . 1 . 2]" 1
422 1 32 GLU HA 1 32 GLU HG3 . . 4.160 3.518 2.623 4.233 0.073 9 0 "[ . 1 . 2]" 1
423 1 32 GLU HA 1 35 VAL H . . 4.560 3.542 3.269 3.853 . 0 0 "[ . 1 . 2]" 1
424 1 32 GLU HA 1 35 VAL HB . . 3.530 3.052 2.181 3.626 0.096 4 0 "[ . 1 . 2]" 1
425 1 32 GLU HA 1 35 VAL QG . . 4.730 2.663 1.943 3.652 . 0 0 "[ . 1 . 2]" 1
426 1 32 GLU HA 1 36 SER H . . 5.500 4.034 3.717 4.243 . 0 0 "[ . 1 . 2]" 1
427 1 32 GLU HG2 1 33 ARG HA . . 5.240 4.620 3.308 5.392 0.152 12 0 "[ . 1 . 2]" 1
428 1 33 ARG H 1 33 ARG HB2 . . 3.440 2.330 2.070 3.510 0.070 16 0 "[ . 1 . 2]" 1
429 1 33 ARG H 1 33 ARG HB3 . . 3.310 2.882 2.502 3.469 0.159 7 0 "[ . 1 . 2]" 1
430 1 33 ARG H 1 34 THR H . . 3.490 2.632 2.480 2.822 . 0 0 "[ . 1 . 2]" 1
431 1 33 ARG HA 1 33 ARG HD2 . . 4.270 3.158 1.975 4.444 0.174 16 0 "[ . 1 . 2]" 1
432 1 33 ARG HA 1 33 ARG HD3 . . 4.350 3.147 1.987 4.454 0.104 20 0 "[ . 1 . 2]" 1
433 1 33 ARG HA 1 33 ARG HG2 . . 3.680 3.278 2.434 3.756 0.076 12 0 "[ . 1 . 2]" 1
434 1 33 ARG HA 1 33 ARG HG3 . . 4.030 3.106 2.325 3.806 . 0 0 "[ . 1 . 2]" 1
435 1 33 ARG HA 1 35 VAL H . . 5.320 4.531 4.303 4.753 . 0 0 "[ . 1 . 2]" 1
436 1 33 ARG HB2 1 34 THR H . . 3.470 3.475 2.733 3.623 0.153 15 0 "[ . 1 . 2]" 1
437 1 33 ARG HD2 1 37 LEU QD . . 5.500 3.769 2.338 5.004 . 0 0 "[ . 1 . 2]" 1
438 1 33 ARG HD3 1 37 LEU QD . . 5.500 4.129 2.370 5.507 0.007 13 0 "[ . 1 . 2]" 1
439 1 33 ARG HG3 1 34 THR H . . 5.400 4.361 2.466 5.431 0.031 2 0 "[ . 1 . 2]" 1
440 1 33 ARG HG3 1 37 LEU QD . . 4.270 3.500 2.298 4.356 0.086 7 0 "[ . 1 . 2]" 1
441 1 34 THR H 1 34 THR HB . . 2.940 2.630 2.542 2.743 . 0 0 "[ . 1 . 2]" 1
442 1 34 THR H 1 34 THR MG . . 4.250 3.714 3.656 3.788 . 0 0 "[ . 1 . 2]" 1
443 1 34 THR H 1 35 VAL HB . . 5.410 4.725 4.316 5.262 . 0 0 "[ . 1 . 2]" 1
444 1 34 THR H 1 35 VAL QG . . 5.460 3.697 3.249 4.167 . 0 0 "[ . 1 . 2]" 1
445 1 34 THR H 1 36 SER H . . 4.240 3.805 3.636 3.946 . 0 0 "[ . 1 . 2]" 1
446 1 34 THR HA 1 34 THR MG . . 3.370 2.298 2.238 2.356 . 0 0 "[ . 1 . 2]" 1
447 1 34 THR HA 1 36 SER H . . 4.500 4.340 4.204 4.510 0.010 15 0 "[ . 1 . 2]" 1
448 1 34 THR HA 1 37 LEU H . . 3.420 3.464 3.398 3.515 0.095 2 0 "[ . 1 . 2]" 1
449 1 34 THR HA 1 37 LEU HB2 . . 4.000 3.130 2.821 3.511 . 0 0 "[ . 1 . 2]" 1
450 1 34 THR HA 1 37 LEU QD . . 3.720 2.538 2.100 3.241 . 0 0 "[ . 1 . 2]" 1
451 1 34 THR HA 1 38 LYS H . . 4.870 4.354 3.980 4.873 0.003 11 0 "[ . 1 . 2]" 1
452 1 34 THR HB 1 35 VAL H . . 3.300 2.525 2.387 2.622 . 0 0 "[ . 1 . 2]" 1
453 1 34 THR MG 1 35 VAL H . . 4.260 3.679 3.531 3.858 . 0 0 "[ . 1 . 2]" 1
454 1 34 THR MG 1 35 VAL HA . . 4.410 3.966 3.786 4.223 . 0 0 "[ . 1 . 2]" 1
455 1 34 THR MG 1 37 LEU H . . 5.500 4.665 4.478 4.807 . 0 0 "[ . 1 . 2]" 1
456 1 34 THR MG 1 38 LYS HE2 . . 3.440 2.620 1.965 3.512 0.072 13 0 "[ . 1 . 2]" 1
457 1 34 THR MG 1 38 LYS HE3 . . 3.650 2.494 2.055 3.086 . 0 0 "[ . 1 . 2]" 1
458 1 35 VAL H 1 35 VAL HB . . 2.970 2.550 2.180 3.007 0.037 4 0 "[ . 1 . 2]" 1
459 1 35 VAL H 1 35 VAL QG . . 3.390 1.884 1.639 2.183 . 0 0 "[ . 1 . 2]" 1
460 1 35 VAL H 1 36 SER H . . 3.260 2.534 2.429 2.615 . 0 0 "[ . 1 . 2]" 1
461 1 35 VAL H 1 36 SER HB2 . . 5.310 4.791 4.451 4.953 . 0 0 "[ . 1 . 2]" 1
462 1 35 VAL HA 1 35 VAL QG . . 3.210 1.959 1.864 2.050 . 0 0 "[ . 1 . 2]" 1
463 1 35 VAL HA 1 37 LEU H . . 5.130 4.122 3.785 4.564 . 0 0 "[ . 1 . 2]" 1
464 1 35 VAL HA 1 38 LYS H . . 4.080 3.540 3.320 3.785 . 0 0 "[ . 1 . 2]" 1
465 1 35 VAL HA 1 38 LYS HD2 . . 4.030 3.174 2.062 4.078 0.048 2 0 "[ . 1 . 2]" 1
466 1 35 VAL HA 1 39 LEU H . . 5.100 3.698 3.210 4.379 . 0 0 "[ . 1 . 2]" 1
467 1 35 VAL HB 1 36 SER H . . 3.340 2.558 2.239 2.759 . 0 0 "[ . 1 . 2]" 1
468 1 35 VAL QG 1 36 SER H . . 4.190 2.903 2.581 3.122 . 0 0 "[ . 1 . 2]" 1
469 1 35 VAL QG 1 36 SER HA . . 4.400 3.253 2.683 3.969 . 0 0 "[ . 1 . 2]" 1
470 1 35 VAL QG 1 37 LEU H . . 5.500 4.325 4.157 4.588 . 0 0 "[ . 1 . 2]" 1
471 1 35 VAL QG 1 39 LEU QB . . 4.140 2.701 2.152 3.697 . 0 0 "[ . 1 . 2]" 1
472 1 36 SER H 1 36 SER HB2 . . 2.780 2.485 2.242 2.565 . 0 0 "[ . 1 . 2]" 1
473 1 36 SER H 1 37 LEU H . . 3.530 2.657 2.501 2.851 . 0 0 "[ . 1 . 2]" 1
474 1 36 SER H 1 37 LEU QD . . 4.860 4.632 4.402 4.864 0.004 4 0 "[ . 1 . 2]" 1
475 1 36 SER H 1 37 LEU HG . . 5.330 4.302 3.970 4.596 . 0 0 "[ . 1 . 2]" 1
476 1 36 SER H 1 39 LEU QB . . 5.450 4.618 3.745 4.893 . 0 0 "[ . 1 . 2]" 1
477 1 36 SER HA 1 39 LEU QB . . 3.370 2.925 2.139 3.362 . 0 0 "[ . 1 . 2]" 1
478 1 36 SER HB2 1 37 LEU H . . 3.370 3.148 2.626 3.489 0.119 17 0 "[ . 1 . 2]" 1
479 1 36 SER HB2 1 37 LEU QD . . 4.710 3.914 3.267 4.448 . 0 0 "[ . 1 . 2]" 1
480 1 37 LEU H 1 37 LEU HB2 . . 3.510 2.510 2.345 2.656 . 0 0 "[ . 1 . 2]" 1
481 1 37 LEU H 1 37 LEU HB3 . . 3.610 3.608 3.576 3.643 0.033 13 0 "[ . 1 . 2]" 1
482 1 37 LEU H 1 37 LEU QD . . 3.670 3.084 2.774 3.345 . 0 0 "[ . 1 . 2]" 1
483 1 37 LEU H 1 37 LEU HG . . 3.050 2.375 2.098 2.760 . 0 0 "[ . 1 . 2]" 1
484 1 37 LEU H 1 38 LYS H . . 3.370 2.592 2.343 3.037 . 0 0 "[ . 1 . 2]" 1
485 1 37 LEU H 1 39 LEU H . . 5.110 3.943 3.722 4.271 . 0 0 "[ . 1 . 2]" 1
486 1 37 LEU HA 1 37 LEU QD . . 2.930 2.088 2.020 2.168 . 0 0 "[ . 1 . 2]" 1
487 1 37 LEU HA 1 37 LEU HG . . 3.190 3.170 2.883 3.222 0.032 17 0 "[ . 1 . 2]" 1
488 1 37 LEU HA 1 40 ASN H . . 5.040 3.976 3.291 5.005 . 0 0 "[ . 1 . 2]" 1
489 1 37 LEU HA 1 40 ASN HB2 . . 4.380 3.874 2.680 4.453 0.073 11 0 "[ . 1 . 2]" 1
490 1 37 LEU HA 1 40 ASN HB3 . . 4.370 3.214 2.297 3.787 . 0 0 "[ . 1 . 2]" 1
491 1 37 LEU HA 1 40 ASN HD22 . . 5.160 4.628 3.586 5.263 0.103 6 0 "[ . 1 . 2]" 1
492 1 37 LEU HA 1 41 ASP H . . 4.770 3.994 3.378 4.792 0.022 4 0 "[ . 1 . 2]" 1
493 1 37 LEU HA 1 42 LYS H . . 4.670 3.682 3.225 4.003 . 0 0 "[ . 1 . 2]" 1
494 1 37 LEU HB2 1 37 LEU QD . . 3.220 2.279 2.237 2.333 . 0 0 "[ . 1 . 2]" 1
495 1 37 LEU HB2 1 38 LYS H . . 3.060 2.501 2.198 2.855 . 0 0 "[ . 1 . 2]" 1
496 1 37 LEU HB3 1 37 LEU QD . . 3.060 2.126 2.100 2.158 . 0 0 "[ . 1 . 2]" 1
497 1 37 LEU HB3 1 42 LYS H . . 4.980 4.148 3.538 4.631 . 0 0 "[ . 1 . 2]" 1
498 1 37 LEU HB3 1 43 VAL H . . 4.850 4.133 3.764 4.600 . 0 0 "[ . 1 . 2]" 1
499 1 37 LEU QD 1 42 LYS H . . 5.500 4.410 3.985 4.795 . 0 0 "[ . 1 . 2]" 1
500 1 37 LEU QD 1 42 LYS HB2 . . 3.870 3.349 2.827 3.997 0.127 7 0 "[ . 1 . 2]" 1
501 1 37 LEU QD 1 42 LYS HG3 . . 5.220 2.848 1.927 3.848 . 0 0 "[ . 1 . 2]" 1
502 1 38 LYS H 1 38 LYS HB2 . . 3.700 2.222 2.118 2.417 . 0 0 "[ . 1 . 2]" 1
503 1 38 LYS H 1 38 LYS HB3 . . 3.380 3.466 3.434 3.526 0.146 11 0 "[ . 1 . 2]" 1
504 1 38 LYS H 1 38 LYS HD2 . . 4.420 2.968 1.948 3.842 . 0 0 "[ . 1 . 2]" 1
505 1 38 LYS H 1 38 LYS HE2 . . 5.500 4.535 4.173 5.408 . 0 0 "[ . 1 . 2]" 1
506 1 38 LYS H 1 38 LYS HE3 . . 5.370 5.136 4.512 5.456 0.086 1 0 "[ . 1 . 2]" 1
507 1 38 LYS H 1 38 LYS HG2 . . 4.600 3.868 3.312 4.153 . 0 0 "[ . 1 . 2]" 1
508 1 38 LYS H 1 38 LYS HG3 . . 3.270 2.673 2.263 3.345 0.075 2 0 "[ . 1 . 2]" 1
509 1 38 LYS H 1 39 LEU H . . 3.710 2.583 2.417 2.743 . 0 0 "[ . 1 . 2]" 1
510 1 38 LYS HA 1 38 LYS HD2 . . 3.900 4.023 3.443 4.183 0.283 18 0 "[ . 1 . 2]" 1
511 1 38 LYS HA 1 38 LYS HG3 . . 3.150 2.506 2.273 2.988 . 0 0 "[ . 1 . 2]" 1
512 1 38 LYS HA 1 41 ASP H . . 4.500 4.389 3.656 4.562 0.062 3 0 "[ . 1 . 2]" 1
513 1 38 LYS HA 1 42 LYS H . . 4.380 4.151 3.384 4.420 0.040 7 0 "[ . 1 . 2]" 1
514 1 38 LYS HA 1 43 VAL H . . 3.490 2.702 2.401 3.147 . 0 0 "[ . 1 . 2]" 1
515 1 38 LYS HA 1 43 VAL HB . . 4.660 2.992 2.164 4.734 0.074 17 0 "[ . 1 . 2]" 1
516 1 38 LYS HE2 1 38 LYS HG2 . . 3.790 2.997 2.502 3.658 . 0 0 "[ . 1 . 2]" 1
517 1 38 LYS HE2 1 38 LYS HG3 . . 3.650 2.594 2.349 3.698 0.048 2 0 "[ . 1 . 2]" 1
518 1 38 LYS HE3 1 38 LYS HG2 . . 3.990 3.560 2.516 3.856 . 0 0 "[ . 1 . 2]" 1
519 1 38 LYS HG3 1 43 VAL H . . 4.940 4.525 3.621 4.997 0.057 13 0 "[ . 1 . 2]" 1
520 1 38 LYS HG3 1 43 VAL HB . . 4.110 2.918 2.042 4.256 0.146 14 0 "[ . 1 . 2]" 1
521 1 39 LEU H 1 39 LEU QB . . 3.020 2.215 2.126 2.293 . 0 0 "[ . 1 . 2]" 1
522 1 39 LEU H 1 39 LEU MD1 . . 4.270 4.117 3.724 4.268 . 0 0 "[ . 1 . 2]" 1
523 1 39 LEU H 1 39 LEU HG . . 4.320 4.309 4.251 4.400 0.080 14 0 "[ . 1 . 2]" 1
524 1 39 LEU H 1 40 ASN H . . 3.620 2.626 2.354 3.294 . 0 0 "[ . 1 . 2]" 1
525 1 39 LEU H 1 41 ASP H . . 5.210 4.732 3.840 5.126 . 0 0 "[ . 1 . 2]" 1
526 1 39 LEU HA 1 39 LEU MD1 . . 3.490 2.522 2.186 3.547 0.057 13 0 "[ . 1 . 2]" 1
527 1 39 LEU HA 1 39 LEU HG . . 3.150 2.861 2.234 3.109 . 0 0 "[ . 1 . 2]" 1
528 1 39 LEU HA 1 41 ASP H . . 5.500 5.041 3.427 5.463 . 0 0 "[ . 1 . 2]" 1
529 1 39 LEU HA 1 45 TRP HZ2 . . 4.090 2.101 1.939 3.281 . 0 0 "[ . 1 . 2]" 1
530 1 39 LEU QB 1 39 LEU MD1 . . 2.800 2.034 1.976 2.276 . 0 0 "[ . 1 . 2]" 1
531 1 39 LEU QB 1 39 LEU HG . . 2.490 2.407 2.297 2.478 . 0 0 "[ . 1 . 2]" 1
532 1 39 LEU QB 1 40 ASN HA . . 4.040 4.329 2.744 4.994 0.954 4 10 "[ * +. * ** - .* ***]" 1
533 1 39 LEU QB 1 45 TRP HZ2 . . 3.810 2.299 1.941 3.607 . 0 0 "[ . 1 . 2]" 1
534 1 39 LEU MD1 1 40 ASN H . . 5.500 4.731 4.204 5.241 . 0 0 "[ . 1 . 2]" 1
535 1 39 LEU MD1 1 45 TRP HZ2 . . 3.620 1.919 1.749 2.754 . 0 0 "[ . 1 . 2]" 1
536 1 39 LEU HG 1 40 ASN H . . 5.500 4.374 3.668 4.670 . 0 0 "[ . 1 . 2]" 1
537 1 39 LEU HG 1 45 TRP HZ2 . . 3.540 3.530 2.287 3.699 0.159 4 0 "[ . 1 . 2]" 1
538 1 40 ASN H 1 40 ASN HB2 . . 3.750 2.783 2.394 3.361 . 0 0 "[ . 1 . 2]" 1
539 1 40 ASN H 1 40 ASN HB3 . . 3.460 2.726 2.452 3.108 . 0 0 "[ . 1 . 2]" 1
540 1 40 ASN H 1 40 ASN HD22 . . 4.790 4.740 4.148 4.960 0.170 18 0 "[ . 1 . 2]" 1
541 1 40 ASN H 1 41 ASP H . . 3.330 2.554 1.835 2.913 . 0 0 "[ . 1 . 2]" 1
542 1 40 ASN H 1 41 ASP HA . . 5.100 4.643 3.916 5.191 0.091 15 0 "[ . 1 . 2]" 1
543 1 40 ASN H 1 42 LYS H . . 4.470 3.984 3.441 4.395 . 0 0 "[ . 1 . 2]" 1
544 1 40 ASN HB2 1 42 LYS H . . 5.120 4.963 4.397 5.238 0.118 7 0 "[ . 1 . 2]" 1
545 1 40 ASN HB3 1 42 LYS H . . 4.570 3.368 2.792 3.817 . 0 0 "[ . 1 . 2]" 1
546 1 40 ASN HD22 1 41 ASP H . . 4.540 3.742 2.746 4.638 0.098 6 0 "[ . 1 . 2]" 1
547 1 41 ASP H 1 41 ASP HA . . 2.940 2.776 2.170 2.929 . 0 0 "[ . 1 . 2]" 1
548 1 41 ASP H 1 41 ASP HB2 . . 4.140 3.890 3.310 4.197 0.057 20 0 "[ . 1 . 2]" 1
549 1 41 ASP H 1 41 ASP HB3 . . 3.750 3.427 3.091 3.690 . 0 0 "[ . 1 . 2]" 1
550 1 41 ASP H 1 42 LYS H . . 3.460 1.981 1.797 2.597 . 0 0 "[ . 1 . 2]" 1
551 1 41 ASP H 1 42 LYS HG3 . . 5.340 4.198 3.009 5.430 0.090 6 0 "[ . 1 . 2]" 1
552 1 41 ASP H 1 43 VAL H . . 4.470 3.512 3.206 3.804 . 0 0 "[ . 1 . 2]" 1
553 1 41 ASP HA 1 43 VAL H . . 5.070 4.325 2.841 5.072 0.002 2 0 "[ . 1 . 2]" 1
554 1 42 LYS H 1 42 LYS HB2 . . 3.960 2.594 2.319 3.851 . 0 0 "[ . 1 . 2]" 1
555 1 42 LYS H 1 42 LYS HB3 . . 3.350 3.461 2.811 3.533 0.183 3 0 "[ . 1 . 2]" 1
556 1 42 LYS H 1 42 LYS HG2 . . 3.870 2.830 2.045 3.465 . 0 0 "[ . 1 . 2]" 1
557 1 42 LYS H 1 42 LYS HG3 . . 4.120 2.862 2.014 3.712 . 0 0 "[ . 1 . 2]" 1
558 1 42 LYS H 1 43 VAL H . . 2.960 2.287 1.873 2.972 0.012 17 0 "[ . 1 . 2]" 1
559 1 42 LYS H 1 43 VAL MG1 . . 5.040 5.049 4.186 5.251 0.211 2 0 "[ . 1 . 2]" 1
560 1 42 LYS HA 1 43 VAL MG1 . . 4.860 4.830 4.310 4.993 0.133 6 0 "[ . 1 . 2]" 1
561 1 42 LYS HB2 1 43 VAL MG1 . . 3.570 3.670 3.000 3.854 0.284 4 0 "[ . 1 . 2]" 1
562 1 43 VAL H 1 43 VAL HB . . 3.550 3.302 3.169 3.680 0.130 7 0 "[ . 1 . 2]" 1
563 1 43 VAL H 1 43 VAL MG1 . . 3.840 3.481 2.429 3.728 . 0 0 "[ . 1 . 2]" 1
564 1 43 VAL HA 1 43 VAL MG1 . . 3.150 2.160 1.962 3.206 0.056 17 0 "[ . 1 . 2]" 1
565 1 43 VAL HA 1 43 VAL MG2 . . 3.480 2.874 2.361 3.206 . 0 0 "[ . 1 . 2]" 1
566 1 43 VAL HA 1 44 THR H . . 2.750 2.450 1.981 2.714 . 0 0 "[ . 1 . 2]" 1
567 1 43 VAL MG2 1 44 THR H . . 3.790 3.678 2.042 4.081 0.291 1 0 "[ . 1 . 2]" 1
568 1 44 THR H 1 44 THR HB . . 3.670 3.225 2.629 3.699 0.029 13 0 "[ . 1 . 2]" 1
569 1 44 THR H 1 44 THR HG1 . . 3.700 2.882 2.272 3.601 . 0 0 "[ . 1 . 2]" 1
570 1 44 THR H 1 44 THR MG . . 3.690 3.243 2.570 3.818 0.128 9 0 "[ . 1 . 2]" 1
571 1 44 THR HA 1 44 THR MG . . 3.200 2.256 2.191 2.325 . 0 0 "[ . 1 . 2]" 1
572 1 44 THR HA 1 45 TRP H . . 2.760 2.386 2.117 2.619 . 0 0 "[ . 1 . 2]" 1
573 1 44 THR HB 1 45 TRP H . . 3.290 2.889 2.154 3.366 0.076 12 0 "[ . 1 . 2]" 1
574 1 44 THR MG 1 45 TRP H . . 4.100 2.878 1.692 3.782 . 0 0 "[ . 1 . 2]" 1
575 1 45 TRP H 1 45 TRP HB2 . . 3.690 2.438 2.324 2.556 . 0 0 "[ . 1 . 2]" 1
576 1 45 TRP H 1 45 TRP HB3 . . 4.170 3.604 3.560 3.661 . 0 0 "[ . 1 . 2]" 1
577 1 45 TRP HA 1 45 TRP HD1 . . 4.020 3.116 2.598 3.439 . 0 0 "[ . 1 . 2]" 1
578 1 45 TRP HA 1 46 LYS H . . 2.780 2.168 2.088 2.267 . 0 0 "[ . 1 . 2]" 1
579 1 45 TRP HB2 1 50 ILE MD . . 4.430 2.924 2.300 3.454 . 0 0 "[ . 1 . 2]" 1
580 1 45 TRP HB2 1 50 ILE HG12 . . 4.190 2.933 2.248 3.909 . 0 0 "[ . 1 . 2]" 1
581 1 45 TRP HB3 1 50 ILE MD . . 3.680 3.456 2.795 3.722 0.042 19 0 "[ . 1 . 2]" 1
582 1 45 TRP HB3 1 50 ILE HG12 . . 4.070 2.897 2.363 3.237 . 0 0 "[ . 1 . 2]" 1
583 1 45 TRP HB3 1 50 ILE HG13 . . 4.620 2.525 2.174 2.742 . 0 0 "[ . 1 . 2]" 1
584 1 45 TRP HD1 1 46 LYS H . . 4.890 4.375 4.037 4.688 . 0 0 "[ . 1 . 2]" 1
585 1 45 TRP HD1 1 49 GLU HB2 . . 4.260 3.112 2.273 3.802 . 0 0 "[ . 1 . 2]" 1
586 1 45 TRP HD1 1 49 GLU HB3 . . 3.970 2.655 2.093 3.623 . 0 0 "[ . 1 . 2]" 1
587 1 46 LYS H 1 46 LYS HB2 . . 3.960 2.383 2.166 2.534 . 0 0 "[ . 1 . 2]" 1
588 1 46 LYS H 1 46 LYS HB3 . . 3.510 3.481 2.763 3.603 0.093 4 0 "[ . 1 . 2]" 1
589 1 46 LYS H 1 46 LYS HG3 . . 4.400 3.653 2.206 4.440 0.040 12 0 "[ . 1 . 2]" 1
590 1 46 LYS H 1 49 GLU H . . 4.940 3.734 3.491 4.068 . 0 0 "[ . 1 . 2]" 1
591 1 46 LYS H 1 49 GLU HB2 . . 3.840 2.688 2.281 3.202 . 0 0 "[ . 1 . 2]" 1
592 1 46 LYS H 1 49 GLU HB3 . . 4.710 3.933 3.456 4.245 . 0 0 "[ . 1 . 2]" 1
593 1 46 LYS H 1 50 ILE H . . 5.170 4.479 4.256 4.918 . 0 0 "[ . 1 . 2]" 1
594 1 46 LYS HA 1 46 LYS HD2 . . 4.220 3.449 2.798 4.408 0.188 6 0 "[ . 1 . 2]" 1
595 1 46 LYS HA 1 47 ASP H . . 3.360 2.415 2.296 2.565 . 0 0 "[ . 1 . 2]" 1
596 1 46 LYS HA 1 48 ASP H . . 5.220 4.356 4.112 4.624 . 0 0 "[ . 1 . 2]" 1
597 1 46 LYS HB2 1 48 ASP H . . 4.370 3.548 3.112 4.415 0.045 12 0 "[ . 1 . 2]" 1
598 1 46 LYS HB2 1 49 GLU H . . 4.190 2.982 2.476 3.882 . 0 0 "[ . 1 . 2]" 1
599 1 46 LYS HB2 1 49 GLU QG . . 2.400 2.121 1.949 2.500 0.100 8 0 "[ . 1 . 2]" 1
600 1 46 LYS HB3 1 48 ASP H . . 4.260 2.914 2.460 3.259 . 0 0 "[ . 1 . 2]" 1
601 1 46 LYS HB3 1 49 GLU H . . 3.870 3.569 2.175 3.900 0.030 7 0 "[ . 1 . 2]" 1
602 1 46 LYS HB3 1 49 GLU QG . . 4.050 3.446 1.878 3.785 . 0 0 "[ . 1 . 2]" 1
603 1 46 LYS HD2 1 46 LYS HG3 . . 2.580 2.432 2.306 2.503 . 0 0 "[ . 1 . 2]" 1
604 1 47 ASP H 1 47 ASP HB2 . . 3.670 2.786 2.218 3.679 0.009 3 0 "[ . 1 . 2]" 1
605 1 47 ASP H 1 49 GLU H . . 5.370 4.093 3.990 4.230 . 0 0 "[ . 1 . 2]" 1
606 1 47 ASP HA 1 47 ASP HB2 . . 2.650 2.513 2.403 2.888 0.238 13 0 "[ . 1 . 2]" 1
607 1 47 ASP HA 1 49 GLU H . . 3.970 4.007 3.911 4.050 0.080 8 0 "[ . 1 . 2]" 1
608 1 47 ASP HA 1 50 ILE H . . 3.620 3.293 3.119 3.459 . 0 0 "[ . 1 . 2]" 1
609 1 47 ASP HA 1 50 ILE HB . . 3.240 2.625 2.328 2.910 . 0 0 "[ . 1 . 2]" 1
610 1 47 ASP HA 1 50 ILE MD . . 3.380 2.218 2.087 2.339 . 0 0 "[ . 1 . 2]" 1
611 1 47 ASP HA 1 50 ILE HG12 . . 4.330 4.328 4.149 4.392 0.062 6 0 "[ . 1 . 2]" 1
612 1 47 ASP HA 1 50 ILE HG13 . . 4.070 2.923 2.746 3.044 . 0 0 "[ . 1 . 2]" 1
613 1 47 ASP HA 1 50 ILE MG . . 4.700 3.958 3.770 4.185 . 0 0 "[ . 1 . 2]" 1
614 1 48 ASP H 1 48 ASP HB2 . . 3.740 2.569 2.391 2.730 . 0 0 "[ . 1 . 2]" 1
615 1 48 ASP H 1 48 ASP HB3 . . 3.760 2.995 2.310 3.684 . 0 0 "[ . 1 . 2]" 1
616 1 48 ASP H 1 49 GLU H . . 3.450 2.639 2.401 2.793 . 0 0 "[ . 1 . 2]" 1
617 1 48 ASP H 1 50 ILE H . . 5.040 4.111 3.999 4.225 . 0 0 "[ . 1 . 2]" 1
618 1 48 ASP HA 1 51 LEU H . . 4.130 3.444 3.076 3.708 . 0 0 "[ . 1 . 2]" 1
619 1 48 ASP HA 1 51 LEU HB3 . . 4.080 4.012 2.187 4.162 0.082 11 0 "[ . 1 . 2]" 1
620 1 48 ASP HA 1 51 LEU QD . . 3.740 2.126 1.863 2.790 . 0 0 "[ . 1 . 2]" 1
621 1 48 ASP HB3 1 49 GLU HA . . 5.230 4.349 4.086 4.609 . 0 0 "[ . 1 . 2]" 1
622 1 49 GLU H 1 49 GLU HB2 . . 3.600 2.537 2.457 2.722 . 0 0 "[ . 1 . 2]" 1
623 1 49 GLU H 1 49 GLU HB3 . . 4.000 3.624 3.579 3.649 . 0 0 "[ . 1 . 2]" 1
624 1 49 GLU H 1 49 GLU HG2 . . 3.650 2.965 1.987 3.601 . 0 0 "[ . 1 . 2]" 1
625 1 49 GLU H 1 49 GLU QG . . 4.270 2.246 1.977 2.408 . 0 0 "[ . 1 . 2]" 1
626 1 49 GLU H 1 50 ILE H . . 3.440 2.351 2.213 2.450 . 0 0 "[ . 1 . 2]" 1
627 1 49 GLU HA 1 49 GLU QG . . 3.380 2.700 2.452 3.204 . 0 0 "[ . 1 . 2]" 1
628 1 49 GLU QG 1 50 ILE H . . 4.980 3.847 3.437 4.059 . 0 0 "[ . 1 . 2]" 1
629 1 50 ILE H 1 50 ILE HB . . 3.340 2.558 2.521 2.602 . 0 0 "[ . 1 . 2]" 1
630 1 50 ILE H 1 50 ILE MD . . 4.480 3.580 3.533 3.633 . 0 0 "[ . 1 . 2]" 1
631 1 50 ILE H 1 50 ILE HG12 . . 3.670 3.301 3.177 3.371 . 0 0 "[ . 1 . 2]" 1
632 1 50 ILE H 1 50 ILE HG13 . . 4.110 2.062 1.977 2.138 . 0 0 "[ . 1 . 2]" 1
633 1 50 ILE H 1 51 LEU H . . 3.830 2.781 2.700 2.866 . 0 0 "[ . 1 . 2]" 1
634 1 50 ILE HA 1 50 ILE MD . . 4.220 3.854 3.828 3.880 . 0 0 "[ . 1 . 2]" 1
635 1 50 ILE HA 1 50 ILE HG12 . . 3.500 2.548 2.507 2.593 . 0 0 "[ . 1 . 2]" 1
636 1 50 ILE HA 1 50 ILE HG13 . . 3.220 3.049 3.007 3.102 . 0 0 "[ . 1 . 2]" 1
637 1 50 ILE HA 1 50 ILE MG . . 3.330 2.427 2.386 2.454 . 0 0 "[ . 1 . 2]" 1
638 1 50 ILE HA 1 53 ALA H . . 3.780 3.514 3.265 3.720 . 0 0 "[ . 1 . 2]" 1
639 1 50 ILE HA 1 53 ALA MB . . 3.820 2.833 2.436 3.238 . 0 0 "[ . 1 . 2]" 1
640 1 50 ILE HA 1 54 VAL H . . 5.000 4.065 3.788 4.277 . 0 0 "[ . 1 . 2]" 1
641 1 50 ILE HB 1 50 ILE MD . . 3.580 2.460 2.451 2.477 . 0 0 "[ . 1 . 2]" 1
642 1 50 ILE MD 1 50 ILE MG . . 3.550 1.958 1.922 1.989 . 0 0 "[ . 1 . 2]" 1
643 1 50 ILE MD 1 68 PHE HB2 . . 4.790 3.782 2.700 4.807 0.017 10 0 "[ . 1 . 2]" 1
644 1 50 ILE MD 1 68 PHE QD . . 4.930 4.031 3.530 4.725 . 0 0 "[ . 1 . 2]" 1
645 1 50 ILE MG 1 51 LEU H . . 4.880 3.407 3.282 3.564 . 0 0 "[ . 1 . 2]" 1
646 1 50 ILE MG 1 51 LEU HA . . 5.040 3.485 3.328 3.709 . 0 0 "[ . 1 . 2]" 1
647 1 50 ILE MG 1 64 ILE MD . . 3.530 2.241 1.972 2.548 . 0 0 "[ . 1 . 2]" 1
648 1 50 ILE MG 1 64 ILE HG12 . . 4.700 4.354 3.747 4.704 0.004 9 0 "[ . 1 . 2]" 1
649 1 50 ILE MG 1 64 ILE MG . . 3.890 2.696 2.058 3.418 . 0 0 "[ . 1 . 2]" 1
650 1 51 LEU H 1 51 LEU HB2 . . 3.680 2.565 2.121 3.641 . 0 0 "[ . 1 . 2]" 1
651 1 51 LEU H 1 51 LEU HB3 . . 3.200 3.177 2.183 3.415 0.215 8 0 "[ . 1 . 2]" 1
652 1 51 LEU H 1 51 LEU MD1 . . 5.500 3.537 3.420 4.001 . 0 0 "[ . 1 . 2]" 1
653 1 51 LEU H 1 51 LEU MD2 . . 4.810 3.250 2.922 4.008 . 0 0 "[ . 1 . 2]" 1
654 1 51 LEU H 1 51 LEU HG . . 3.850 2.262 2.056 4.057 0.207 1 0 "[ . 1 . 2]" 1
655 1 51 LEU H 1 52 LYS H . . 3.270 2.750 2.621 2.836 . 0 0 "[ . 1 . 2]" 1
656 1 51 LEU H 1 53 ALA H . . 5.500 4.313 4.132 4.459 . 0 0 "[ . 1 . 2]" 1
657 1 51 LEU HA 1 51 LEU QD . . 3.030 2.293 1.944 3.293 0.263 18 0 "[ . 1 . 2]" 1
658 1 51 LEU HA 1 51 LEU HG . . 3.510 3.213 2.960 3.635 0.125 18 0 "[ . 1 . 2]" 1
659 1 51 LEU HA 1 54 VAL H . . 3.910 3.589 3.243 3.857 . 0 0 "[ . 1 . 2]" 1
660 1 51 LEU HA 1 54 VAL HB . . 3.240 2.658 2.298 3.074 . 0 0 "[ . 1 . 2]" 1
661 1 51 LEU QD 1 52 LYS HE3 . . 4.320 4.096 2.235 4.474 0.154 11 0 "[ . 1 . 2]" 1
662 1 51 LEU HG 1 52 LYS H . . 4.400 4.009 2.791 4.442 0.042 3 0 "[ . 1 . 2]" 1
663 1 52 LYS H 1 52 LYS HB2 . . 3.500 2.194 1.941 2.452 . 0 0 "[ . 1 . 2]" 1
664 1 52 LYS H 1 52 LYS HB3 . . 3.440 3.298 2.670 3.547 0.107 2 0 "[ . 1 . 2]" 1
665 1 52 LYS H 1 52 LYS HG2 . . 4.470 3.400 2.109 4.494 0.024 9 0 "[ . 1 . 2]" 1
666 1 52 LYS H 1 53 ALA H . . 3.250 2.597 2.345 2.715 . 0 0 "[ . 1 . 2]" 1
667 1 52 LYS H 1 54 VAL H . . 4.910 4.070 3.835 4.256 . 0 0 "[ . 1 . 2]" 1
668 1 52 LYS HA 1 52 LYS HB2 . . 2.820 2.842 2.606 2.962 0.142 15 0 "[ . 1 . 2]" 1
669 1 52 LYS HA 1 52 LYS HD3 . . 4.350 3.244 1.948 4.470 0.120 11 0 "[ . 1 . 2]" 1
670 1 52 LYS HA 1 52 LYS HE3 . . 3.630 3.454 2.073 3.705 0.075 17 0 "[ . 1 . 2]" 1
671 1 52 LYS HA 1 52 LYS HG2 . . 3.060 3.085 2.476 3.369 0.309 16 0 "[ . 1 . 2]" 1
672 1 52 LYS HA 1 54 VAL H . . 4.990 4.522 4.020 4.727 . 0 0 "[ . 1 . 2]" 1
673 1 52 LYS HA 1 55 HIS H . . 4.140 3.612 3.229 3.969 . 0 0 "[ . 1 . 2]" 1
674 1 52 LYS HA 1 55 HIS HB2 . . 4.240 3.373 2.857 4.090 . 0 0 "[ . 1 . 2]" 1
675 1 52 LYS HA 1 55 HIS HB3 . . 4.550 3.575 2.934 4.558 0.008 10 0 "[ . 1 . 2]" 1
676 1 52 LYS HA 1 56 VAL MG2 . . 4.460 3.901 3.592 4.324 . 0 0 "[ . 1 . 2]" 1
677 1 52 LYS HE3 1 52 LYS HG2 . . 3.390 2.875 2.304 3.581 0.191 11 0 "[ . 1 . 2]" 1
678 1 53 ALA H 1 53 ALA MB . . 3.100 2.243 2.218 2.257 . 0 0 "[ . 1 . 2]" 1
679 1 53 ALA H 1 54 VAL H . . 3.440 2.645 2.504 2.811 . 0 0 "[ . 1 . 2]" 1
680 1 53 ALA H 1 54 VAL MG2 . . 5.400 4.071 3.897 4.285 . 0 0 "[ . 1 . 2]" 1
681 1 53 ALA H 1 55 HIS H . . 5.250 4.090 3.937 4.315 . 0 0 "[ . 1 . 2]" 1
682 1 53 ALA HA 1 56 VAL H . . 3.940 3.388 3.224 3.552 . 0 0 "[ . 1 . 2]" 1
683 1 53 ALA HA 1 56 VAL HB . . 2.880 2.863 2.498 2.910 0.030 8 0 "[ . 1 . 2]" 1
684 1 53 ALA HA 1 56 VAL MG2 . . 3.440 3.358 3.193 3.472 0.032 16 0 "[ . 1 . 2]" 1
685 1 53 ALA HA 1 57 LEU H . . 4.320 3.554 3.188 3.952 . 0 0 "[ . 1 . 2]" 1
686 1 53 ALA HA 1 57 LEU MD2 . . 4.730 2.702 2.171 4.130 . 0 0 "[ . 1 . 2]" 1
687 1 53 ALA MB 1 54 VAL H . . 3.760 2.474 2.390 2.689 . 0 0 "[ . 1 . 2]" 1
688 1 53 ALA MB 1 54 VAL MG2 . . 5.500 3.224 3.120 3.523 . 0 0 "[ . 1 . 2]" 1
689 1 53 ALA MB 1 56 VAL H . . 5.500 4.473 4.396 4.556 . 0 0 "[ . 1 . 2]" 1
690 1 53 ALA MB 1 56 VAL MG2 . . 5.500 4.535 4.370 4.635 . 0 0 "[ . 1 . 2]" 1
691 1 53 ALA MB 1 57 LEU MD2 . . 4.680 3.072 2.538 4.285 . 0 0 "[ . 1 . 2]" 1
692 1 53 ALA MB 1 68 PHE QE . . 4.300 3.191 2.694 3.829 . 0 0 "[ . 1 . 2]" 1
693 1 53 ALA MB 1 68 PHE HZ . . 3.590 2.410 1.912 3.300 . 0 0 "[ . 1 . 2]" 1
694 1 54 VAL H 1 54 VAL HB . . 3.050 2.537 2.491 2.624 . 0 0 "[ . 1 . 2]" 1
695 1 54 VAL H 1 54 VAL MG1 . . 4.120 3.789 3.758 3.818 . 0 0 "[ . 1 . 2]" 1
696 1 54 VAL H 1 54 VAL MG2 . . 3.270 2.087 1.992 2.162 . 0 0 "[ . 1 . 2]" 1
697 1 54 VAL H 1 55 HIS H . . 3.480 2.761 2.683 2.890 . 0 0 "[ . 1 . 2]" 1
698 1 54 VAL H 1 59 LEU MD1 . . 5.440 3.720 2.742 4.223 . 0 0 "[ . 1 . 2]" 1
699 1 54 VAL HA 1 54 VAL MG1 . . 3.400 2.497 2.435 2.527 . 0 0 "[ . 1 . 2]" 1
700 1 54 VAL HA 1 54 VAL MG2 . . 3.200 2.352 2.289 2.471 . 0 0 "[ . 1 . 2]" 1
701 1 54 VAL HA 1 59 LEU H . . 3.700 2.766 2.286 2.953 . 0 0 "[ . 1 . 2]" 1
702 1 54 VAL HA 1 59 LEU HA . . 4.620 4.582 4.174 4.693 0.073 14 0 "[ . 1 . 2]" 1
703 1 54 VAL HA 1 59 LEU HB2 . . 4.270 2.099 1.953 2.268 . 0 0 "[ . 1 . 2]" 1
704 1 54 VAL HA 1 59 LEU HB3 . . 3.780 3.720 3.551 3.824 0.044 4 0 "[ . 1 . 2]" 1
705 1 54 VAL HA 1 59 LEU MD1 . . 3.440 2.467 2.170 2.987 . 0 0 "[ . 1 . 2]" 1
706 1 54 VAL HA 1 59 LEU HG . . 3.000 2.667 2.027 3.038 0.038 18 0 "[ . 1 . 2]" 1
707 1 54 VAL HB 1 55 HIS H . . 3.490 2.791 2.557 3.096 . 0 0 "[ . 1 . 2]" 1
708 1 54 VAL MG1 1 55 HIS H . . 4.420 3.497 3.288 3.695 . 0 0 "[ . 1 . 2]" 1
709 1 54 VAL MG1 1 55 HIS HA . . 4.770 3.392 3.239 3.542 . 0 0 "[ . 1 . 2]" 1
710 1 54 VAL MG1 1 56 VAL H . . 5.500 4.890 4.680 5.049 . 0 0 "[ . 1 . 2]" 1
711 1 54 VAL MG1 1 59 LEU H . . 4.230 2.686 2.361 3.211 . 0 0 "[ . 1 . 2]" 1
712 1 54 VAL MG1 1 59 LEU HA . . 4.400 4.010 3.821 4.368 . 0 0 "[ . 1 . 2]" 1
713 1 54 VAL MG1 1 60 ASN H . . 5.070 3.637 3.131 4.178 . 0 0 "[ . 1 . 2]" 1
714 1 54 VAL MG1 1 61 PRO HD2 . . 4.860 4.242 3.382 4.883 0.023 4 0 "[ . 1 . 2]" 1
715 1 54 VAL MG1 1 61 PRO HD3 . . 5.220 3.157 2.202 3.796 . 0 0 "[ . 1 . 2]" 1
716 1 54 VAL MG2 1 55 HIS H . . 4.290 3.921 3.796 4.093 . 0 0 "[ . 1 . 2]" 1
717 1 54 VAL MG2 1 59 LEU H . . 5.380 4.143 3.783 4.490 . 0 0 "[ . 1 . 2]" 1
718 1 54 VAL MG2 1 59 LEU HB2 . . 4.630 2.393 1.895 2.762 . 0 0 "[ . 1 . 2]" 1
719 1 54 VAL MG2 1 59 LEU MD1 . . 4.070 2.557 2.100 3.123 . 0 0 "[ . 1 . 2]" 1
720 1 55 HIS H 1 55 HIS HB2 . . 3.150 2.308 2.132 2.507 . 0 0 "[ . 1 . 2]" 1
721 1 55 HIS H 1 55 HIS HB3 . . 3.360 2.773 2.507 3.459 0.099 13 0 "[ . 1 . 2]" 1
722 1 55 HIS H 1 56 VAL H . . 3.360 2.424 2.188 2.574 . 0 0 "[ . 1 . 2]" 1
723 1 55 HIS H 1 56 VAL HB . . 4.740 4.646 4.443 4.759 0.019 11 0 "[ . 1 . 2]" 1
724 1 55 HIS HA 1 58 GLU H . . 4.220 3.985 3.625 4.282 0.062 3 0 "[ . 1 . 2]" 1
725 1 55 HIS HB2 1 56 VAL H . . 3.700 3.695 3.158 3.845 0.145 9 0 "[ . 1 . 2]" 1
726 1 55 HIS HB3 1 56 VAL H . . 3.680 3.004 2.663 3.757 0.077 15 0 "[ . 1 . 2]" 1
727 1 55 HIS HB3 1 56 VAL MG2 . . 4.780 2.967 2.594 3.837 . 0 0 "[ . 1 . 2]" 1
728 1 56 VAL H 1 56 VAL HB . . 3.040 2.483 2.440 2.565 . 0 0 "[ . 1 . 2]" 1
729 1 56 VAL H 1 56 VAL MG2 . . 3.290 2.478 2.419 2.565 . 0 0 "[ . 1 . 2]" 1
730 1 56 VAL H 1 57 LEU H . . 3.420 2.363 2.203 2.516 . 0 0 "[ . 1 . 2]" 1
731 1 56 VAL H 1 57 LEU HB3 . . 5.260 5.402 5.362 5.433 0.173 18 0 "[ . 1 . 2]" 1
732 1 56 VAL H 1 58 GLU H . . 4.430 3.280 3.041 3.620 . 0 0 "[ . 1 . 2]" 1
733 1 56 VAL HA 1 56 VAL MG1 . . 3.400 2.462 2.411 2.483 . 0 0 "[ . 1 . 2]" 1
734 1 56 VAL HA 1 56 VAL MG2 . . 2.880 2.376 2.345 2.409 . 0 0 "[ . 1 . 2]" 1
735 1 56 VAL HA 1 58 GLU H . . 5.130 3.958 3.767 4.147 . 0 0 "[ . 1 . 2]" 1
736 1 56 VAL HB 1 57 LEU H . . 3.310 2.325 2.079 2.585 . 0 0 "[ . 1 . 2]" 1
737 1 56 VAL MG1 1 57 LEU H . . 4.170 3.146 2.963 3.450 . 0 0 "[ . 1 . 2]" 1
738 1 56 VAL MG1 1 57 LEU HA . . 4.930 3.272 3.166 3.401 . 0 0 "[ . 1 . 2]" 1
739 1 56 VAL MG1 1 57 LEU HG . . 4.540 4.591 4.130 4.655 0.115 19 0 "[ . 1 . 2]" 1
740 1 56 VAL MG1 1 58 GLU H . . 5.500 4.572 4.384 4.811 . 0 0 "[ . 1 . 2]" 1
741 1 57 LEU H 1 57 LEU HB2 . . 3.640 1.920 1.885 1.975 . 0 0 "[ . 1 . 2]" 1
742 1 57 LEU H 1 57 LEU HB3 . . 3.150 3.222 3.184 3.296 0.146 15 0 "[ . 1 . 2]" 1
743 1 57 LEU H 1 57 LEU MD1 . . 4.090 3.807 3.534 4.033 . 0 0 "[ . 1 . 2]" 1
744 1 57 LEU H 1 57 LEU MD2 . . 4.340 2.168 1.969 2.736 . 0 0 "[ . 1 . 2]" 1
745 1 57 LEU H 1 57 LEU HG . . 3.180 3.362 2.934 3.463 0.283 3 0 "[ . 1 . 2]" 1
746 1 57 LEU H 1 58 GLU H . . 3.070 2.525 2.382 2.620 . 0 0 "[ . 1 . 2]" 1
747 1 57 LEU H 1 58 GLU HA . . 4.690 4.694 4.536 4.783 0.093 14 0 "[ . 1 . 2]" 1
748 1 57 LEU H 1 59 LEU HG . . 4.680 4.058 3.704 4.577 . 0 0 "[ . 1 . 2]" 1
749 1 57 LEU HA 1 57 LEU MD1 . . 3.080 2.308 2.090 3.179 0.099 15 0 "[ . 1 . 2]" 1
750 1 58 GLU H 1 58 GLU HA . . 2.700 2.206 2.168 2.237 . 0 0 "[ . 1 . 2]" 1
751 1 58 GLU H 1 58 GLU QB . . 3.920 3.373 3.288 3.429 . 0 0 "[ . 1 . 2]" 1
752 1 58 GLU H 1 58 GLU HG2 . . 4.290 3.553 3.258 3.739 . 0 0 "[ . 1 . 2]" 1
753 1 58 GLU H 1 58 GLU HG3 . . 4.170 3.002 2.732 3.290 . 0 0 "[ . 1 . 2]" 1
754 1 58 GLU H 1 59 LEU H . . 3.370 2.957 2.555 3.328 . 0 0 "[ . 1 . 2]" 1
755 1 58 GLU HA 1 58 GLU HG2 . . 3.630 2.557 2.391 2.755 . 0 0 "[ . 1 . 2]" 1
756 1 58 GLU HA 1 58 GLU HG3 . . 3.710 3.079 2.924 3.203 . 0 0 "[ . 1 . 2]" 1
757 1 58 GLU HA 1 59 LEU H . . 3.210 2.270 2.020 2.913 . 0 0 "[ . 1 . 2]" 1
758 1 58 GLU HG2 1 59 LEU H . . 5.500 4.766 4.418 5.317 . 0 0 "[ . 1 . 2]" 1
759 1 59 LEU H 1 59 LEU HB2 . . 3.760 2.501 2.396 2.649 . 0 0 "[ . 1 . 2]" 1
760 1 59 LEU H 1 59 LEU HB3 . . 3.850 3.707 3.624 3.791 . 0 0 "[ . 1 . 2]" 1
761 1 59 LEU H 1 59 LEU MD1 . . 4.550 3.967 3.782 4.125 . 0 0 "[ . 1 . 2]" 1
762 1 59 LEU H 1 59 LEU MD2 . . 4.500 3.605 3.235 3.885 . 0 0 "[ . 1 . 2]" 1
763 1 59 LEU H 1 59 LEU HG . . 3.340 2.803 2.398 3.121 . 0 0 "[ . 1 . 2]" 1
764 1 59 LEU HA 1 59 LEU HB2 . . 2.710 2.924 2.912 2.933 0.223 15 0 "[ . 1 . 2]" 1
765 1 59 LEU HA 1 59 LEU MD1 . . 4.650 3.865 3.816 3.905 . 0 0 "[ . 1 . 2]" 1
766 1 59 LEU HA 1 59 LEU MD2 . . 3.010 2.149 2.071 2.222 . 0 0 "[ . 1 . 2]" 1
767 1 59 LEU HA 1 60 ASN H . . 2.760 2.560 2.327 2.754 . 0 0 "[ . 1 . 2]" 1
768 1 59 LEU HA 1 60 ASN HB2 . . 4.210 4.207 4.072 4.256 0.046 20 0 "[ . 1 . 2]" 1
769 1 59 LEU HB2 1 59 LEU MD1 . . 3.660 2.403 2.358 2.436 . 0 0 "[ . 1 . 2]" 1
770 1 59 LEU HB2 1 60 ASN H . . 3.230 3.117 2.774 3.303 0.073 17 0 "[ . 1 . 2]" 1
771 1 59 LEU MD1 1 64 ILE MD . . 4.660 2.928 2.281 3.291 . 0 0 "[ . 1 . 2]" 1
772 1 59 LEU MD2 1 60 ASN H . . 4.210 3.592 3.402 3.738 . 0 0 "[ . 1 . 2]" 1
773 1 60 ASN H 1 60 ASN HB2 . . 3.310 3.076 2.813 3.278 . 0 0 "[ . 1 . 2]" 1
774 1 60 ASN H 1 60 ASN HB3 . . 3.190 2.628 2.464 2.819 . 0 0 "[ . 1 . 2]" 1
775 1 60 ASN H 1 60 ASN HD22 . . 4.850 4.853 4.427 4.940 0.090 14 0 "[ . 1 . 2]" 1
776 1 60 ASN H 1 63 ASP H . . 4.710 3.632 2.989 4.208 . 0 0 "[ . 1 . 2]" 1
777 1 60 ASN H 1 63 ASP HB3 . . 3.860 2.954 2.497 3.575 . 0 0 "[ . 1 . 2]" 1
778 1 60 ASN HA 1 60 ASN HD22 . . 4.130 2.961 2.745 4.143 0.013 12 0 "[ . 1 . 2]" 1
779 1 60 ASN HA 1 61 PRO HD2 . . 2.990 2.232 2.086 2.689 . 0 0 "[ . 1 . 2]" 1
780 1 60 ASN HA 1 61 PRO HD3 . . 2.970 2.590 2.066 2.879 . 0 0 "[ . 1 . 2]" 1
781 1 60 ASN HA 1 62 GLN H . . 4.160 4.108 3.985 4.180 0.020 12 0 "[ . 1 . 2]" 1
782 1 60 ASN HB2 1 62 GLN H . . 4.450 4.467 4.322 4.532 0.082 20 0 "[ . 1 . 2]" 1
783 1 60 ASN HB2 1 63 ASP H . . 5.280 4.521 4.333 4.925 . 0 0 "[ . 1 . 2]" 1
784 1 60 ASN HB3 1 62 GLN H . . 5.260 3.327 3.022 3.685 . 0 0 "[ . 1 . 2]" 1
785 1 60 ASN HB3 1 63 ASP H . . 5.080 2.888 2.678 3.356 . 0 0 "[ . 1 . 2]" 1
786 1 60 ASN HB3 1 63 ASP HA . . 5.500 4.632 4.304 5.107 . 0 0 "[ . 1 . 2]" 1
787 1 60 ASN HD21 1 61 PRO HD3 . . 4.640 4.569 4.193 4.732 0.092 17 0 "[ . 1 . 2]" 1
788 1 60 ASN HD22 1 62 GLN H . . 5.500 4.389 1.940 4.856 . 0 0 "[ . 1 . 2]" 1
789 1 61 PRO HA 1 63 ASP H . . 4.740 3.996 3.798 4.196 . 0 0 "[ . 1 . 2]" 1
790 1 61 PRO HA 1 64 ILE H . . 4.220 3.726 3.392 4.140 . 0 0 "[ . 1 . 2]" 1
791 1 61 PRO HA 1 64 ILE MD . . 3.220 3.057 2.577 3.257 0.037 3 0 "[ . 1 . 2]" 1
792 1 61 PRO HA 1 64 ILE HG12 . . 4.570 2.059 1.983 2.295 . 0 0 "[ . 1 . 2]" 1
793 1 61 PRO HA 1 64 ILE HG13 . . 3.350 2.561 2.313 2.772 . 0 0 "[ . 1 . 2]" 1
794 1 61 PRO HD2 1 62 GLN H . . 4.390 3.230 2.807 3.491 . 0 0 "[ . 1 . 2]" 1
795 1 61 PRO HD2 1 64 ILE HG12 . . 5.500 5.447 5.140 5.575 0.075 18 0 "[ . 1 . 2]" 1
796 1 61 PRO HD3 1 62 GLN H . . 4.360 4.195 3.971 4.309 . 0 0 "[ . 1 . 2]" 1
797 1 61 PRO HG2 1 62 GLN H . . 4.070 2.999 2.676 4.099 0.029 8 0 "[ . 1 . 2]" 1
798 1 61 PRO HG3 1 62 GLN H . . 4.500 4.360 4.191 4.561 0.061 8 0 "[ . 1 . 2]" 1
799 1 62 GLN H 1 62 GLN HB2 . . 3.520 2.461 2.276 2.640 . 0 0 "[ . 1 . 2]" 1
800 1 62 GLN H 1 62 GLN HB3 . . 3.700 3.511 2.381 3.710 0.010 12 0 "[ . 1 . 2]" 1
801 1 62 GLN H 1 62 GLN HE22 . . 5.500 4.536 3.351 5.522 0.022 18 0 "[ . 1 . 2]" 1
802 1 62 GLN H 1 62 GLN HG2 . . 4.180 3.453 2.436 4.283 0.103 6 0 "[ . 1 . 2]" 1
803 1 62 GLN H 1 62 GLN HG3 . . 4.480 3.083 2.146 4.447 . 0 0 "[ . 1 . 2]" 1
804 1 62 GLN H 1 63 ASP H . . 3.410 2.376 2.119 2.765 . 0 0 "[ . 1 . 2]" 1
805 1 62 GLN H 1 64 ILE H . . 5.360 3.879 3.649 4.049 . 0 0 "[ . 1 . 2]" 1
806 1 62 GLN HA 1 62 GLN HG2 . . 3.410 2.798 2.374 3.584 0.174 19 0 "[ . 1 . 2]" 1
807 1 62 GLN HA 1 62 GLN HG3 . . 4.230 3.190 2.388 3.900 . 0 0 "[ . 1 . 2]" 1
808 1 62 GLN HA 1 64 ILE H . . 4.660 3.670 3.335 4.020 . 0 0 "[ . 1 . 2]" 1
809 1 62 GLN HG2 1 63 ASP H . . 5.030 4.964 4.498 5.148 0.118 1 0 "[ . 1 . 2]" 1
810 1 63 ASP H 1 63 ASP HB3 . . 3.000 3.038 2.747 3.315 0.315 17 0 "[ . 1 . 2]" 1
811 1 63 ASP H 1 64 ILE H . . 3.270 2.223 1.973 2.540 . 0 0 "[ . 1 . 2]" 1
812 1 63 ASP H 1 64 ILE HB . . 5.130 4.539 4.082 4.987 . 0 0 "[ . 1 . 2]" 1
813 1 63 ASP H 1 64 ILE MD . . 5.390 4.212 3.770 4.534 . 0 0 "[ . 1 . 2]" 1
814 1 63 ASP H 1 64 ILE HG12 . . 4.480 3.411 2.840 3.801 . 0 0 "[ . 1 . 2]" 1
815 1 63 ASP H 1 65 PRO HD2 . . 5.200 4.225 3.768 4.633 . 0 0 "[ . 1 . 2]" 1
816 1 63 ASP HA 1 66 LYS H . . 5.000 3.886 3.330 4.364 . 0 0 "[ . 1 . 2]" 1
817 1 63 ASP HA 1 66 LYS HD2 . . 4.450 3.536 2.119 4.545 0.095 9 0 "[ . 1 . 2]" 1
818 1 63 ASP HA 1 66 LYS HE2 . . 5.500 4.059 1.994 5.526 0.026 7 0 "[ . 1 . 2]" 1
819 1 63 ASP HB3 1 67 TYR QD . . 3.400 3.072 2.299 3.500 0.100 3 0 "[ . 1 . 2]" 1
820 1 63 ASP HB3 1 67 TYR QE . . 3.120 2.632 2.010 3.159 0.039 18 0 "[ . 1 . 2]" 1
821 1 64 ILE H 1 64 ILE HB . . 3.230 2.514 2.382 2.595 . 0 0 "[ . 1 . 2]" 1
822 1 64 ILE H 1 64 ILE MD . . 4.240 3.173 2.906 3.342 . 0 0 "[ . 1 . 2]" 1
823 1 64 ILE H 1 64 ILE HG12 . . 4.070 2.206 2.093 2.336 . 0 0 "[ . 1 . 2]" 1
824 1 64 ILE H 1 64 ILE HG13 . . 3.930 3.676 3.597 3.768 . 0 0 "[ . 1 . 2]" 1
825 1 64 ILE H 1 64 ILE MG . . 4.410 3.793 3.715 3.827 . 0 0 "[ . 1 . 2]" 1
826 1 64 ILE H 1 65 PRO HD2 . . 3.320 2.879 2.614 3.151 . 0 0 "[ . 1 . 2]" 1
827 1 64 ILE HA 1 64 ILE MD . . 3.580 1.943 1.896 1.992 . 0 0 "[ . 1 . 2]" 1
828 1 64 ILE HA 1 64 ILE HG12 . . 3.410 2.993 2.891 3.152 . 0 0 "[ . 1 . 2]" 1
829 1 64 ILE HA 1 64 ILE HG13 . . 3.560 3.624 3.590 3.657 0.097 15 0 "[ . 1 . 2]" 1
830 1 64 ILE HA 1 68 PHE QD . . 3.450 2.748 2.195 3.471 0.021 20 0 "[ . 1 . 2]" 1
831 1 64 ILE MG 1 65 PRO HA . . 4.610 3.276 3.069 3.472 . 0 0 "[ . 1 . 2]" 1
832 1 64 ILE MG 1 65 PRO HD2 . . 4.550 4.325 4.170 4.550 0.000 18 0 "[ . 1 . 2]" 1
833 1 64 ILE MG 1 65 PRO HG3 . . 5.470 4.710 3.635 5.199 . 0 0 "[ . 1 . 2]" 1
834 1 64 ILE MG 1 67 TYR H . . 5.500 4.390 4.103 5.073 . 0 0 "[ . 1 . 2]" 1
835 1 64 ILE MG 1 68 PHE H . . 5.500 3.427 3.009 4.187 . 0 0 "[ . 1 . 2]" 1
836 1 64 ILE MG 1 68 PHE HB2 . . 4.830 2.595 2.101 3.228 . 0 0 "[ . 1 . 2]" 1
837 1 64 ILE MG 1 68 PHE QD . . 3.680 2.406 1.920 3.085 . 0 0 "[ . 1 . 2]" 1
838 1 64 ILE MG 1 69 PHE QD . . 3.990 3.309 2.200 4.102 0.112 7 0 "[ . 1 . 2]" 1
839 1 65 PRO HA 1 67 TYR H . . 4.820 3.878 3.422 4.559 . 0 0 "[ . 1 . 2]" 1
840 1 65 PRO HA 1 69 PHE HB2 . . 3.740 2.192 1.972 2.759 . 0 0 "[ . 1 . 2]" 1
841 1 65 PRO HA 1 69 PHE HB3 . . 4.210 3.707 2.106 4.240 0.030 16 0 "[ . 1 . 2]" 1
842 1 65 PRO HA 1 69 PHE QD . . 3.780 2.301 1.852 3.592 . 0 0 "[ . 1 . 2]" 1
843 1 65 PRO HB2 1 66 LYS H . . 4.260 3.522 2.961 3.817 . 0 0 "[ . 1 . 2]" 1
844 1 65 PRO HB2 1 69 PHE HB2 . . 3.920 3.734 3.105 3.963 0.043 15 0 "[ . 1 . 2]" 1
845 1 65 PRO HB3 1 66 LYS H . . 4.100 4.192 4.107 4.234 0.134 15 0 "[ . 1 . 2]" 1
846 1 65 PRO HD2 1 66 LYS H . . 4.440 2.464 2.284 2.684 . 0 0 "[ . 1 . 2]" 1
847 1 65 PRO HD2 1 66 LYS HG2 . . 3.970 3.645 2.274 4.066 0.096 13 0 "[ . 1 . 2]" 1
848 1 65 PRO HD2 1 66 LYS HG3 . . 3.780 3.026 2.444 3.860 0.080 7 0 "[ . 1 . 2]" 1
849 1 65 PRO HG3 1 66 LYS HG2 . . 5.500 5.043 4.170 5.552 0.052 4 0 "[ . 1 . 2]" 1
850 1 66 LYS H 1 66 LYS HB2 . . 3.680 2.634 2.479 2.752 . 0 0 "[ . 1 . 2]" 1
851 1 66 LYS H 1 66 LYS HB3 . . 3.630 3.622 3.562 3.673 0.043 12 0 "[ . 1 . 2]" 1
852 1 66 LYS H 1 66 LYS HG2 . . 3.590 2.859 1.934 3.317 . 0 0 "[ . 1 . 2]" 1
853 1 66 LYS H 1 66 LYS HG3 . . 5.130 2.500 1.927 3.612 . 0 0 "[ . 1 . 2]" 1
854 1 66 LYS H 1 67 TYR H . . 3.190 2.364 2.229 2.618 . 0 0 "[ . 1 . 2]" 1
855 1 66 LYS H 1 68 PHE H . . 4.870 4.200 3.944 4.541 . 0 0 "[ . 1 . 2]" 1
856 1 66 LYS HA 1 66 LYS HG2 . . 3.940 2.812 2.604 3.174 . 0 0 "[ . 1 . 2]" 1
857 1 66 LYS HA 1 66 LYS HG3 . . 3.700 3.498 3.176 3.835 0.135 9 0 "[ . 1 . 2]" 1
858 1 66 LYS HE2 1 66 LYS HG2 . . 4.040 3.007 2.431 3.794 . 0 0 "[ . 1 . 2]" 1
859 1 66 LYS HG2 1 67 TYR H . . 5.000 4.671 3.817 5.009 0.009 5 0 "[ . 1 . 2]" 1
860 1 66 LYS HG3 1 67 TYR H . . 5.200 4.279 3.717 5.205 0.005 6 0 "[ . 1 . 2]" 1
861 1 67 TYR H 1 67 TYR HB2 . . 3.300 2.453 2.334 2.545 . 0 0 "[ . 1 . 2]" 1
862 1 67 TYR H 1 67 TYR HB3 . . 3.560 3.621 3.574 3.679 0.119 12 0 "[ . 1 . 2]" 1
863 1 67 TYR H 1 67 TYR QD . . 3.750 2.895 2.266 3.435 . 0 0 "[ . 1 . 2]" 1
864 1 67 TYR H 1 68 PHE H . . 3.250 2.373 2.135 2.621 . 0 0 "[ . 1 . 2]" 1
865 1 67 TYR H 1 68 PHE QD . . 4.320 4.121 3.822 4.339 0.019 16 0 "[ . 1 . 2]" 1
866 1 67 TYR HA 1 67 TYR QD . . 3.420 2.749 2.276 3.140 . 0 0 "[ . 1 . 2]" 1
867 1 67 TYR HB2 1 68 PHE QD . . 4.250 2.680 2.291 2.954 . 0 0 "[ . 1 . 2]" 1
868 1 67 TYR HB3 1 68 PHE H . . 3.690 3.163 2.716 3.567 . 0 0 "[ . 1 . 2]" 1
869 1 67 TYR HB3 1 68 PHE QD . . 4.910 3.581 2.945 3.854 . 0 0 "[ . 1 . 2]" 1
870 1 68 PHE H 1 68 PHE QD . . 4.020 2.537 2.229 2.944 . 0 0 "[ . 1 . 2]" 1
871 1 68 PHE H 1 69 PHE H . . 3.730 2.885 2.258 3.844 0.114 20 0 "[ . 1 . 2]" 1
872 1 68 PHE HA 1 68 PHE QD . . 3.990 2.892 2.678 3.207 . 0 0 "[ . 1 . 2]" 1
873 1 68 PHE HA 1 70 ASN H . . 5.500 4.594 3.368 5.538 0.038 13 0 "[ . 1 . 2]" 1
874 1 69 PHE H 1 70 ASN H . . 3.770 2.987 2.106 3.984 0.214 12 0 "[ . 1 . 2]" 1
875 1 69 PHE HA 1 69 PHE QD . . 3.790 2.857 2.019 3.156 . 0 0 "[ . 1 . 2]" 1
876 1 69 PHE QD 1 70 ASN H . . 4.660 4.113 2.599 4.768 0.108 5 0 "[ . 1 . 2]" 1
877 1 70 ASN H 1 70 ASN HB2 . . 3.450 2.531 1.957 3.559 0.109 18 0 "[ . 1 . 2]" 1
878 1 70 ASN H 1 70 ASN HB3 . . 3.400 2.936 1.981 3.693 0.293 19 0 "[ . 1 . 2]" 1
879 1 70 ASN H 1 70 ASN HD21 . . 5.420 4.816 3.371 5.191 . 0 0 "[ . 1 . 2]" 1
880 1 70 ASN H 1 70 ASN HD22 . . 4.810 3.710 2.087 4.939 0.129 19 0 "[ . 1 . 2]" 1
881 1 70 ASN H 1 71 ALA HA . . 5.500 5.183 4.159 5.597 0.097 17 0 "[ . 1 . 2]" 1
882 1 70 ASN HA 1 70 ASN HD21 . . 4.670 3.965 3.228 5.102 0.432 4 0 "[ . 1 . 2]" 1
883 1 70 ASN HA 1 70 ASN HD22 . . 5.020 3.150 1.841 4.446 . 0 0 "[ . 1 . 2]" 1
884 1 70 ASN HA 1 71 ALA H . . 3.270 2.492 2.021 3.413 0.143 1 0 "[ . 1 . 2]" 1
885 1 70 ASN HA 1 72 LYS H . . 3.750 3.624 3.199 3.906 0.156 7 0 "[ . 1 . 2]" 1
886 1 71 ALA H 1 71 ALA MB . . 3.540 2.481 2.233 2.874 . 0 0 "[ . 1 . 2]" 1
887 1 71 ALA HA 1 72 LYS H . . 2.790 2.748 2.324 2.857 0.067 8 0 "[ . 1 . 2]" 1
888 1 71 ALA MB 1 72 LYS H . . 3.750 3.560 3.478 3.704 . 0 0 "[ . 1 . 2]" 1
889 1 72 LYS H 1 72 LYS HB2 . . 3.580 3.105 2.356 3.671 0.091 20 0 "[ . 1 . 2]" 1
890 1 72 LYS H 1 72 LYS HB3 . . 3.350 3.050 2.580 3.535 0.185 7 0 "[ . 1 . 2]" 1
891 1 72 LYS HA 1 72 LYS QG . . 3.710 2.742 2.405 3.505 . 0 0 "[ . 1 . 2]" 1
892 1 72 LYS HA 1 73 VAL H . . 2.860 2.130 1.893 2.953 0.093 3 0 "[ . 1 . 2]" 1
893 1 72 LYS HA 1 73 VAL MG1 . . 4.960 4.558 3.722 5.241 0.281 13 0 "[ . 1 . 2]" 1
894 1 72 LYS HA 1 74 HIS H . . 4.710 4.211 3.292 4.767 0.057 8 0 "[ . 1 . 2]" 1
895 1 72 LYS HE2 1 72 LYS QG . . 3.750 2.806 2.336 3.526 . 0 0 "[ . 1 . 2]" 1
896 1 72 LYS QG 1 73 VAL H . . 4.490 3.789 2.918 4.506 0.016 19 0 "[ . 1 . 2]" 1
897 1 72 LYS QG 1 74 HIS H . . 5.500 3.990 2.217 5.585 0.085 18 0 "[ . 1 . 2]" 1
898 1 73 VAL H 1 73 VAL HB . . 3.680 3.082 2.525 3.714 0.034 7 0 "[ . 1 . 2]" 1
899 1 73 VAL H 1 73 VAL MG1 . . 4.220 3.063 1.994 3.880 . 0 0 "[ . 1 . 2]" 1
900 1 73 VAL H 1 73 VAL QG . . 3.780 2.400 1.932 3.092 . 0 0 "[ . 1 . 2]" 1
901 1 73 VAL H 1 74 HIS HA . . 5.100 4.771 4.105 5.269 0.169 20 0 "[ . 1 . 2]" 1
902 1 73 VAL HA 1 73 VAL MG1 . . 3.170 2.646 2.143 3.232 0.062 11 0 "[ . 1 . 2]" 1
903 1 73 VAL HA 1 74 HIS H . . 2.870 2.375 2.007 2.936 0.066 3 0 "[ . 1 . 2]" 1
904 1 73 VAL QG 1 74 HIS H . . 4.390 3.382 2.986 3.681 . 0 0 "[ . 1 . 2]" 1
905 1 74 HIS H 1 74 HIS HB2 . . 4.010 3.429 2.738 4.040 0.030 2 0 "[ . 1 . 2]" 1
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