NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562670 |
4bd3   |
18764 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4bd3
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 1535
_Distance_constraint_stats_list.Viol_count 357
_Distance_constraint_stats_list.Viol_total 394.358
_Distance_constraint_stats_list.Viol_max 0.805
_Distance_constraint_stats_list.Viol_rms 0.0285
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.1105
_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 SER 0.252 0.075 5 0 "[ . 1]"
1 2 LYS 1.191 0.534 9 1 "[ . +1]"
1 3 LEU 0.362 0.075 5 0 "[ . 1]"
1 4 THR 0.412 0.042 4 0 "[ . 1]"
1 5 GLU 0.945 0.135 7 0 "[ . 1]"
1 6 GLY 0.660 0.081 3 0 "[ . 1]"
1 7 GLN 0.986 0.135 7 0 "[ . 1]"
1 8 TYR 1.319 0.115 10 0 "[ . 1]"
1 9 VAL 0.155 0.056 7 0 "[ . 1]"
1 10 LEU 1.123 0.213 1 0 "[ . 1]"
1 11 CYS 0.355 0.095 8 0 "[ . 1]"
1 12 ARG 2.141 0.333 3 0 "[ . 1]"
1 13 TRP 1.324 0.572 3 1 "[ + . 1]"
1 14 THR 0.222 0.098 10 0 "[ . 1]"
1 15 ASP 1.034 0.454 7 0 "[ . 1]"
1 16 GLY 0.776 0.333 3 0 "[ . 1]"
1 17 LEU 2.096 0.572 3 1 "[ + . 1]"
1 18 TYR 2.107 0.752 7 1 "[ . + 1]"
1 19 TYR 1.098 0.175 3 0 "[ . 1]"
1 20 LEU 0.027 0.021 5 0 "[ . 1]"
1 21 GLY 0.311 0.051 2 0 "[ . 1]"
1 22 LYS 1.496 0.145 10 0 "[ . 1]"
1 23 ILE 0.954 0.431 2 0 "[ . 1]"
1 24 LYS 5.248 0.581 8 3 "[ - +*1]"
1 25 ARG 1.232 0.507 5 1 "[ + 1]"
1 26 VAL 0.007 0.005 7 0 "[ . 1]"
1 27 SER 0.124 0.053 3 0 "[ . 1]"
1 28 SER 1.497 0.412 3 0 "[ . 1]"
1 29 SER 1.228 0.768 1 1 "[+ . 1]"
1 30 LYS 1.187 0.768 1 1 "[+ . 1]"
1 31 GLN 0.779 0.300 9 0 "[ . 1]"
1 32 SER 0.164 0.053 3 0 "[ . 1]"
1 33 CYS 1.015 0.431 2 0 "[ . 1]"
1 34 LEU 3.207 0.788 8 2 "[ - + 1]"
1 35 VAL 0.165 0.104 2 0 "[ . 1]"
1 36 THR 1.241 0.145 10 0 "[ . 1]"
1 37 PHE 0.087 0.026 4 0 "[ . 1]"
1 38 GLU 0.017 0.017 1 0 "[ . 1]"
1 39 ASP 0.347 0.335 6 0 "[ . 1]"
1 40 ASN 1.588 0.420 1 0 "[ . 1]"
1 41 SER 1.079 0.270 3 0 "[ . 1]"
1 42 LYS 4.034 0.788 8 2 "[ - + 1]"
1 43 TYR 0.017 0.017 5 0 "[ . 1]"
1 44 TRP 0.190 0.053 3 0 "[ . 1]"
1 45 VAL 0.671 0.097 8 0 "[ . 1]"
1 46 LEU 2.358 0.638 6 1 "[ .+ 1]"
1 47 TRP 1.769 0.412 3 0 "[ . 1]"
1 48 LYS 2.796 0.638 6 1 "[ .+ 1]"
1 49 ASP 0.030 0.022 8 0 "[ . 1]"
1 50 ILE 0.775 0.097 8 0 "[ . 1]"
1 51 GLN 1.174 0.752 7 1 "[ . + 1]"
1 52 HIS 1.672 0.595 4 1 "[ +. 1]"
1 53 ALA 0.654 0.115 10 0 "[ . 1]"
1 54 GLY 1.517 0.595 4 1 "[ +. 1]"
1 55 VAL 0.978 0.500 8 1 "[ . + 1]"
1 56 PRO 0.449 0.085 8 0 "[ . 1]"
1 57 GLY 0.352 0.343 8 0 "[ . 1]"
1 58 GLU 0.071 0.071 1 0 "[ . 1]"
2 1 ALA 0.000 0.000 . 0 "[ . 1]"
2 2 THR 0.000 0.000 . 0 "[ . 1]"
2 4 GLY 0.000 0.000 . 0 "[ . 1]"
2 5 VAL 0.171 0.154 4 0 "[ . 1]"
2 7 LYS 2.810 0.805 7 2 "[ . +- 1]"
2 8 PRO 2.415 0.805 7 2 "[ . +- 1]"
2 9 HIS 0.310 0.047 6 0 "[ . 1]"
2 10 ARG 0.612 0.221 5 0 "[ . 1]"
2 11 TYR 0.336 0.160 3 0 "[ . 1]"
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 9 VAL HA 1 9 VAL HB 2.800 . 3.800 2.497 2.479 2.523 . 0 0 "[ . 1]" 1
2 1 9 VAL HA 1 53 ALA MB 3.300 . 4.700 2.650 2.316 2.871 . 0 0 "[ . 1]" 1
3 1 9 VAL HA 1 50 ILE MG 4.700 . 6.000 4.179 4.033 4.488 . 0 0 "[ . 1]" 1
4 1 9 VAL HB 1 9 VAL MG1 2.300 . 2.900 2.128 2.127 2.129 . 0 0 "[ . 1]" 1
5 1 9 VAL HB 1 50 ILE MG 2.200 . 2.800 2.071 1.867 2.421 . 0 0 "[ . 1]" 1
6 1 9 VAL HB 1 9 VAL MG2 2.300 . 2.900 2.130 2.128 2.131 . 0 0 "[ . 1]" 1
7 1 9 VAL HA 1 9 VAL MG2 3.000 . 4.200 3.205 3.197 3.210 . 0 0 "[ . 1]" 1
8 1 7 GLN HA 1 7 GLN HB3 2.400 . 3.100 2.432 2.400 2.493 . 0 0 "[ . 1]" 1
9 1 7 GLN HB3 1 7 GLN HG2 2.400 . 3.100 2.511 2.487 2.536 . 0 0 "[ . 1]" 1
10 1 4 THR MG 1 7 GLN HB3 4.500 . 6.000 5.690 5.432 5.992 . 0 0 "[ . 1]" 1
11 1 7 GLN HB3 1 23 ILE HG13 4.100 . 6.000 4.907 4.414 5.186 . 0 0 "[ . 1]" 1
12 1 4 THR MG 1 7 GLN HB2 4.600 . 6.000 5.062 4.786 5.334 . 0 0 "[ . 1]" 1
13 1 7 GLN HB2 1 23 ILE MD 2.400 . 6.000 2.413 2.052 2.821 . 0 0 "[ . 1]" 1
14 1 7 GLN HB2 1 23 ILE HG13 3.400 . 4.800 3.602 3.330 3.778 . 0 0 "[ . 1]" 1
15 1 7 GLN HB3 1 23 ILE MG 5.800 . 6.000 5.844 5.539 6.032 0.032 9 0 "[ . 1]" 1
16 1 7 GLN HB2 1 23 ILE MG 4.800 . 6.000 4.371 4.081 4.552 . 0 0 "[ . 1]" 1
17 1 7 GLN HA 1 7 GLN HG2 2.500 . 3.300 2.550 2.463 2.610 . 0 0 "[ . 1]" 1
18 1 7 GLN HB2 1 7 GLN HG2 3.000 . 4.100 3.004 3.000 3.007 . 0 0 "[ . 1]" 1
19 1 4 THR HB 1 7 GLN QG 3.100 . 4.300 2.392 1.974 2.940 . 0 0 "[ . 1]" 1
20 1 7 GLN HA 1 7 GLN HG3 3.100 . 4.300 3.295 3.163 3.388 . 0 0 "[ . 1]" 1
21 1 5 GLU HG3 1 7 GLN HG3 2.200 . 6.000 6.094 6.050 6.135 0.135 7 0 "[ . 1]" 1
22 1 7 GLN HB3 1 7 GLN HG3 2.700 . 3.600 3.007 3.004 3.011 . 0 0 "[ . 1]" 1
23 1 7 GLN HB2 1 7 GLN HG3 2.300 . 3.000 2.376 2.355 2.395 . 0 0 "[ . 1]" 1
24 1 4 THR MG 1 7 GLN HG3 3.300 . 4.700 3.232 2.963 3.567 . 0 0 "[ . 1]" 1
25 1 7 GLN QG 1 23 ILE MD 4.100 . 6.000 3.698 3.362 4.119 . 0 0 "[ . 1]" 1
26 1 7 GLN QG 1 23 ILE HG13 4.100 . 6.000 5.243 5.023 5.447 . 0 0 "[ . 1]" 1
27 1 8 TYR HA 1 22 LYS HA 2.400 . 3.100 2.239 2.110 2.342 . 0 0 "[ . 1]" 1
28 1 8 TYR HB3 1 8 TYR QE 4.600 . 6.000 4.400 4.363 4.452 . 0 0 "[ . 1]" 1
29 1 8 TYR HB2 1 8 TYR QE 4.400 . 6.000 4.431 4.397 4.470 . 0 0 "[ . 1]" 1
30 1 8 TYR HB2 1 22 LYS HA 4.700 . 6.000 5.116 4.963 5.276 . 0 0 "[ . 1]" 1
31 1 8 TYR HB3 1 20 LEU QD 3.000 . 4.100 2.285 1.935 2.552 . 0 0 "[ . 1]" 1
32 1 8 TYR HB2 1 20 LEU QD 3.600 . 5.200 3.510 2.648 3.824 . 0 0 "[ . 1]" 1
33 1 9 VAL MG1 1 9 VAL MG2 2.100 . 6.000 2.088 2.084 2.091 . 0 0 "[ . 1]" 1
34 1 8 TYR HA 1 9 VAL MG1 4.000 . 6.000 3.698 3.638 3.840 . 0 0 "[ . 1]" 1
35 1 8 TYR HA 1 9 VAL MG2 3.500 . 5.000 3.469 3.382 3.603 . 0 0 "[ . 1]" 1
36 1 9 VAL HA 1 9 VAL MG1 2.700 . 3.600 2.313 2.288 2.345 . 0 0 "[ . 1]" 1
37 1 10 LEU HA 1 10 LEU QB 2.700 . 3.600 2.344 2.304 2.395 . 0 0 "[ . 1]" 1
38 1 10 LEU HA 1 10 LEU MD1 4.800 . 6.000 3.881 3.818 3.926 . 0 0 "[ . 1]" 1
39 1 10 LEU HA 1 20 LEU QD 4.300 . 6.000 3.340 3.189 3.640 . 0 0 "[ . 1]" 1
40 1 10 LEU QB 1 18 TYR HB2 4.900 . 6.000 3.619 3.242 4.220 . 0 0 "[ . 1]" 1
41 1 10 LEU QB 1 18 TYR HB3 2.800 . 3.800 2.180 1.787 2.799 0.213 1 0 "[ . 1]" 1
42 1 10 LEU QB 1 10 LEU HG 3.000 . 3.100 2.357 2.333 2.380 . 0 0 "[ . 1]" 1
43 1 10 LEU QB 1 10 LEU MD2 3.100 . 4.300 2.323 2.293 2.354 . 0 0 "[ . 1]" 1
44 1 10 LEU HA 1 10 LEU HG 3.000 . 4.100 3.213 3.107 3.316 . 0 0 "[ . 1]" 1
45 1 10 LEU HG 1 18 TYR HB3 4.700 . 6.000 5.102 4.708 5.797 . 0 0 "[ . 1]" 1
46 1 10 LEU MD1 1 18 TYR HB2 4.200 . 6.000 3.887 3.408 4.748 . 0 0 "[ . 1]" 1
47 1 10 LEU MD2 1 18 TYR HB2 4.500 . 6.000 4.218 3.835 4.831 . 0 0 "[ . 1]" 1
48 1 3 LEU QD 1 9 VAL HB 3.800 . 5.600 3.912 3.542 4.127 . 0 0 "[ . 1]" 1
49 1 10 LEU QB 1 10 LEU MD1 2.800 . 3.800 2.094 2.091 2.097 . 0 0 "[ . 1]" 1
50 1 9 VAL HA 1 10 LEU HA 3.500 . 5.000 4.385 4.357 4.410 . 0 0 "[ . 1]" 1
51 1 10 LEU MD1 1 53 ALA HA 3.500 . 5.000 3.119 2.639 3.505 . 0 0 "[ . 1]" 1
52 1 10 LEU MD1 1 10 LEU MD2 2.400 . 3.100 2.084 2.076 2.088 . 0 0 "[ . 1]" 1
53 1 15 ASP HA 1 15 ASP HB3 2.500 . 3.300 2.608 2.449 3.027 . 0 0 "[ . 1]" 1
54 1 15 ASP HA 1 15 ASP HB2 3.000 . 4.100 2.924 2.503 3.028 . 0 0 "[ . 1]" 1
55 1 17 LEU HA 1 17 LEU HB3 2.700 . 3.600 2.469 2.439 2.511 . 0 0 "[ . 1]" 1
56 1 17 LEU HA 1 17 LEU HG 3.200 . 4.500 3.130 2.975 3.235 . 0 0 "[ . 1]" 1
57 1 17 LEU HA 1 17 LEU MD1 2.200 . 6.000 3.860 3.831 3.894 . 0 0 "[ . 1]" 1
58 1 15 ASP HB3 1 17 LEU MD2 3.500 . 6.000 4.505 3.976 4.713 . 0 0 "[ . 1]" 1
59 1 15 ASP HB3 1 17 LEU MD1 4.200 . 6.000 3.193 2.602 3.676 . 0 0 "[ . 1]" 1
60 1 17 LEU HB2 1 17 LEU HG 2.600 . 3.500 2.466 2.424 2.532 . 0 0 "[ . 1]" 1
61 1 17 LEU HB2 1 17 LEU MD2 2.200 . 6.000 3.195 3.185 3.200 . 0 0 "[ . 1]" 1
62 1 17 LEU HB2 1 17 LEU MD1 3.300 . 4.600 2.330 2.254 2.382 . 0 0 "[ . 1]" 1
63 1 17 LEU MD2 1 17 LEU HG 2.100 . 2.700 2.128 2.125 2.129 . 0 0 "[ . 1]" 1
64 1 17 LEU MD1 1 17 LEU HG 2.100 . 2.700 2.126 2.125 2.128 . 0 0 "[ . 1]" 1
65 1 13 TRP HB2 1 17 LEU HB3 4.700 . 6.000 5.844 5.136 6.572 0.572 3 1 "[ + . 1]" 1
66 1 17 LEU MD2 2 8 PRO HB3 2.800 . 6.000 3.758 3.197 4.272 . 0 0 "[ . 1]" 1
67 1 17 LEU HB3 1 17 LEU MD2 2.500 . 3.300 2.372 2.285 2.423 . 0 0 "[ . 1]" 1
68 1 17 LEU HB3 1 17 LEU MD1 2.500 . 3.300 2.377 2.325 2.484 . 0 0 "[ . 1]" 1
69 1 20 LEU HA 1 20 LEU HB2 2.800 . 3.800 2.495 2.439 2.804 . 0 0 "[ . 1]" 1
70 1 20 LEU HA 1 20 LEU HG 3.100 . 4.300 3.078 2.636 3.170 . 0 0 "[ . 1]" 1
71 1 20 LEU HA 1 20 LEU QD 2.900 . 4.000 2.003 1.862 2.087 . 0 0 "[ . 1]" 1
72 1 20 LEU HB2 1 20 LEU HG 2.700 . 3.600 2.960 2.391 3.025 . 0 0 "[ . 1]" 1
73 1 20 LEU HB2 1 20 LEU QD 2.600 . 3.400 2.145 2.117 2.362 . 0 0 "[ . 1]" 1
74 1 20 LEU HB3 1 20 LEU HG 2.600 . 3.400 2.523 2.454 3.012 . 0 0 "[ . 1]" 1
75 1 20 LEU HB3 1 20 LEU QD 2.800 . 3.800 2.257 2.115 2.291 . 0 0 "[ . 1]" 1
76 1 10 LEU MD2 1 20 LEU HA 3.400 . 4.800 2.407 1.995 2.831 0.005 2 0 "[ . 1]" 1
77 1 20 LEU MD1 1 20 LEU MD2 1.600 . 6.000 2.086 2.081 2.093 . 0 0 "[ . 1]" 1
78 1 22 LYS HA 1 22 LYS HD2 4.200 . 6.000 4.099 3.932 4.243 . 0 0 "[ . 1]" 1
79 1 8 TYR QD 1 22 LYS HB3 4.500 . 6.000 4.761 4.167 5.128 . 0 0 "[ . 1]" 1
80 1 8 TYR QD 1 22 LYS HB2 3.600 . 5.200 3.241 2.442 3.695 . 0 0 "[ . 1]" 1
81 1 8 TYR QE 1 22 LYS HB3 4.100 . 6.000 4.457 4.154 4.786 . 0 0 "[ . 1]" 1
82 1 8 TYR HA 1 22 LYS HB2 4.100 . 6.000 3.670 3.505 3.765 . 0 0 "[ . 1]" 1
83 1 8 TYR HA 1 22 LYS HB3 4.500 . 6.000 4.944 4.827 5.043 . 0 0 "[ . 1]" 1
84 1 22 LYS HA 1 22 LYS HB2 2.700 . 3.600 2.407 2.383 2.432 . 0 0 "[ . 1]" 1
85 1 22 LYS HA 1 22 LYS HB3 3.000 . 4.200 3.020 3.015 3.024 . 0 0 "[ . 1]" 1
86 1 22 LYS HB2 1 22 LYS HE2 4.400 . 6.000 4.430 4.240 4.594 . 0 0 "[ . 1]" 1
87 1 22 LYS HB3 1 22 LYS HE2 4.400 . 6.000 4.502 4.270 4.686 . 0 0 "[ . 1]" 1
88 1 22 LYS HB3 1 22 LYS HD2 3.200 . 4.500 3.234 3.116 3.349 . 0 0 "[ . 1]" 1
89 1 22 LYS HB3 1 22 LYS HG2 2.700 . 3.600 2.341 2.297 2.383 . 0 0 "[ . 1]" 1
90 1 8 TYR QD 1 22 LYS HG3 4.000 . 6.000 4.227 3.692 4.534 . 0 0 "[ . 1]" 1
91 1 8 TYR QE 1 22 LYS HG3 4.200 . 6.000 4.361 3.999 4.613 . 0 0 "[ . 1]" 1
92 1 8 TYR QE 1 22 LYS HG2 5.000 . 6.000 5.242 4.992 5.581 . 0 0 "[ . 1]" 1
93 1 8 TYR HA 1 22 LYS HG2 4.800 . 6.000 5.219 4.957 5.362 . 0 0 "[ . 1]" 1
94 1 22 LYS HA 1 22 LYS HG3 2.800 . 3.800 2.559 2.484 2.634 . 0 0 "[ . 1]" 1
95 1 6 GLY HA2 1 22 LYS HG2 3.900 . 5.800 3.406 3.286 3.523 . 0 0 "[ . 1]" 1
96 1 6 GLY HA3 1 22 LYS HG3 4.900 . 6.000 4.656 4.469 4.796 . 0 0 "[ . 1]" 1
97 1 6 GLY HA3 1 22 LYS HG2 5.000 . 6.000 5.132 5.034 5.234 . 0 0 "[ . 1]" 1
98 1 22 LYS HE2 1 22 LYS HG3 3.300 . 4.600 2.739 2.387 3.111 . 0 0 "[ . 1]" 1
99 1 22 LYS HE2 1 22 LYS HG2 3.000 . 4.200 2.726 2.459 2.996 . 0 0 "[ . 1]" 1
100 1 22 LYS HB2 1 22 LYS HG3 2.800 . 3.800 2.551 2.496 2.613 . 0 0 "[ . 1]" 1
101 1 22 LYS HB2 1 22 LYS HG2 3.000 . 4.100 2.991 2.974 3.004 . 0 0 "[ . 1]" 1
102 1 22 LYS HD2 1 22 LYS HG3 2.900 . 3.900 2.457 2.427 2.486 . 0 0 "[ . 1]" 1
103 1 8 TYR QE 1 22 LYS HD3 3.600 . 5.200 4.085 3.599 4.713 . 0 0 "[ . 1]" 1
104 1 8 TYR QD 1 22 LYS HD3 4.500 . 6.000 5.206 4.863 5.702 . 0 0 "[ . 1]" 1
105 1 8 TYR HA 1 22 LYS HD2 3.500 . 6.000 4.886 4.492 5.289 . 0 0 "[ . 1]" 1
106 1 6 GLY HA2 1 22 LYS HD3 4.300 . 6.000 4.412 4.320 4.506 . 0 0 "[ . 1]" 1
107 1 6 GLY HA3 1 22 LYS HD3 4.800 . 6.000 6.023 6.010 6.057 0.057 2 0 "[ . 1]" 1
108 1 22 LYS HD3 1 22 LYS HE2 2.500 . 3.300 2.733 2.429 3.012 . 0 0 "[ . 1]" 1
109 1 22 LYS HB2 1 22 LYS HD3 3.000 . 4.100 2.849 2.699 3.016 . 0 0 "[ . 1]" 1
110 1 22 LYS HB2 1 22 LYS HD2 2.300 . 3.000 2.372 2.284 2.446 . 0 0 "[ . 1]" 1
111 1 22 LYS HB3 1 22 LYS HD3 3.500 . 5.000 2.654 2.547 2.778 . 0 0 "[ . 1]" 1
112 1 22 LYS HD2 1 22 LYS HG2 2.900 . 4.000 3.017 3.014 3.020 . 0 0 "[ . 1]" 1
113 1 22 LYS HD3 1 22 LYS HG2 2.800 . 3.800 2.441 2.414 2.471 . 0 0 "[ . 1]" 1
114 1 8 TYR QD 1 22 LYS HE3 3.000 . 6.000 4.998 4.089 5.549 . 0 0 "[ . 1]" 1
115 1 8 TYR QE 1 22 LYS HE3 2.500 . 6.000 3.950 3.489 4.479 . 0 0 "[ . 1]" 1
116 1 22 LYS HA 1 22 LYS HE3 3.000 . 6.000 5.503 4.976 6.005 0.005 7 0 "[ . 1]" 1
117 1 6 GLY HA2 1 22 LYS HE3 2.700 . 3.600 2.718 1.849 3.613 0.013 7 0 "[ . 1]" 1
118 1 6 GLY HA3 1 22 LYS HE3 3.600 . 5.200 3.886 3.160 4.561 . 0 0 "[ . 1]" 1
119 1 22 LYS HE3 1 22 LYS HG2 3.100 . 4.300 3.438 3.037 3.810 . 0 0 "[ . 1]" 1
120 1 22 LYS HE3 1 22 LYS HG3 2.800 . 3.800 3.094 2.476 3.692 . 0 0 "[ . 1]" 1
121 1 22 LYS HB3 1 22 LYS HE3 4.400 . 6.000 4.838 4.672 5.040 . 0 0 "[ . 1]" 1
122 1 23 ILE HA 1 33 CYS HB2 4.200 . 6.000 4.947 4.647 5.846 . 0 0 "[ . 1]" 1
123 1 23 ILE HA 1 23 ILE MD 3.400 . 4.900 3.823 3.804 3.837 . 0 0 "[ . 1]" 1
124 1 23 ILE HA 1 23 ILE HG13 2.900 . 3.900 3.028 2.930 3.065 . 0 0 "[ . 1]" 1
125 1 23 ILE HA 1 23 ILE MG 2.400 . 3.100 2.420 2.388 2.487 . 0 0 "[ . 1]" 1
126 1 23 ILE HB 1 23 ILE HG12 2.900 . 4.000 3.027 3.025 3.029 . 0 0 "[ . 1]" 1
127 1 23 ILE HB 1 23 ILE MD 2.400 . 6.000 2.435 2.425 2.453 . 0 0 "[ . 1]" 1
128 1 23 ILE HB 1 23 ILE HG13 2.700 . 3.600 2.465 2.452 2.474 . 0 0 "[ . 1]" 1
129 1 23 ILE HB 1 23 ILE MG 2.200 . 2.800 2.128 2.127 2.130 . 0 0 "[ . 1]" 1
130 1 23 ILE HG13 1 33 CYS HB2 4.500 . 6.000 5.299 4.883 6.050 0.050 2 0 "[ . 1]" 1
131 1 23 ILE HG12 1 33 CYS HB2 3.900 . 5.800 3.585 3.173 4.376 . 0 0 "[ . 1]" 1
132 1 24 LYS HA 1 24 LYS QB 2.500 . 3.300 2.378 2.346 2.407 . 0 0 "[ . 1]" 1
133 1 24 LYS QB 1 24 LYS HE2 . . 3.000 2.691 1.858 3.581 0.581 8 3 "[ - +*1]" 1
134 1 24 LYS QB 1 34 LEU HB2 4.000 . 6.000 4.610 4.394 4.772 . 0 0 "[ . 1]" 1
135 1 24 LYS QB 1 34 LEU QD 2.700 . 6.000 2.626 1.801 2.969 0.199 4 0 "[ . 1]" 1
136 1 23 ILE HA 1 24 LYS QB 4.600 . 6.000 4.184 4.049 4.459 . 0 0 "[ . 1]" 1
137 1 22 LYS HG2 1 24 LYS HA 3.100 . 4.300 3.917 3.651 4.205 . 0 0 "[ . 1]" 1
138 1 22 LYS HG3 1 24 LYS HA 3.200 . 6.000 5.218 5.091 5.362 . 0 0 "[ . 1]" 1
139 1 24 LYS HA 1 24 LYS QG 2.800 . 3.800 2.943 2.891 3.002 . 0 0 "[ . 1]" 1
140 1 24 LYS QB 1 24 LYS QG 2.000 . 2.500 1.996 1.989 2.008 . 0 0 "[ . 1]" 1
141 1 24 LYS QG 1 34 LEU QD 2.800 . 6.000 3.155 2.643 3.662 . 0 0 "[ . 1]" 1
142 1 24 LYS HA 1 24 LYS HD3 2.600 . 3.400 2.519 1.974 3.729 0.329 1 0 "[ . 1]" 1
143 1 24 LYS HD2 1 24 LYS HE2 2.400 . 3.100 2.681 2.423 3.016 . 0 0 "[ . 1]" 1
144 1 24 LYS QB 1 24 LYS HD3 2.000 . 4.900 3.090 2.840 3.518 . 0 0 "[ . 1]" 1
145 1 24 LYS QB 1 24 LYS HD2 3.900 . 5.800 3.317 2.858 3.504 . 0 0 "[ . 1]" 1
146 1 24 LYS HD2 1 24 LYS QG 2.000 . 2.500 2.232 2.173 2.368 . 0 0 "[ . 1]" 1
147 1 24 LYS HD3 1 24 LYS QG 2.500 . 3.300 2.302 2.171 2.369 . 0 0 "[ . 1]" 1
148 1 24 LYS HD2 1 34 LEU QD 3.400 . 6.000 5.235 4.713 5.693 . 0 0 "[ . 1]" 1
149 1 24 LYS HD3 1 34 LEU QD 4.000 . 6.000 5.366 4.949 5.758 . 0 0 "[ . 1]" 1
150 1 24 LYS HA 1 24 LYS HE2 3.100 . 4.300 3.310 2.698 4.257 . 0 0 "[ . 1]" 1
151 1 24 LYS HD3 1 24 LYS HE2 2.200 . 2.800 2.555 2.372 3.019 0.219 3 0 "[ . 1]" 1
152 1 24 LYS HE2 1 24 LYS QG 2.400 . 3.100 3.097 2.415 3.509 0.409 5 0 "[ . 1]" 1
153 1 34 LEU HG 1 42 LYS HE2 3.500 . 5.000 4.529 3.165 5.788 0.788 8 2 "[ - + 1]" 1
154 1 34 LEU QD 1 42 LYS HE2 3.400 . 3.900 3.032 1.860 4.186 0.286 8 0 "[ . 1]" 1
155 1 5 GLU HG3 1 25 ARG HA 4.700 . 6.000 4.102 3.389 4.920 . 0 0 "[ . 1]" 1
156 1 5 GLU HG2 1 25 ARG HA 3.000 . 4.100 2.592 2.145 3.219 . 0 0 "[ . 1]" 1
157 1 25 ARG HA 1 26 VAL QG 4.400 . 6.000 3.612 3.390 3.729 . 0 0 "[ . 1]" 1
158 1 25 ARG HA 1 25 ARG HB3 2.800 . 3.800 2.914 2.466 3.026 . 0 0 "[ . 1]" 1
159 1 25 ARG HA 1 25 ARG HB2 2.500 . 3.300 2.581 2.412 3.027 . 0 0 "[ . 1]" 1
160 1 25 ARG HB3 1 25 ARG HD2 3.200 . 4.500 2.925 2.501 3.123 . 0 0 "[ . 1]" 1
161 1 25 ARG HB3 1 34 LEU HB2 3.200 . 4.500 3.183 2.709 4.241 . 0 0 "[ . 1]" 1
162 1 25 ARG HB2 1 34 LEU HB2 4.200 . 6.000 4.135 2.276 5.022 . 0 0 "[ . 1]" 1
163 1 25 ARG HB3 1 34 LEU HG 3.700 . 5.400 4.478 4.139 5.907 0.507 5 1 "[ + 1]" 1
164 1 25 ARG HB3 1 34 LEU QD 3.100 . 4.300 3.016 2.385 4.649 0.349 4 0 "[ . 1]" 1
165 1 25 ARG HB2 1 34 LEU QD 3.200 . 6.000 3.065 2.685 3.419 . 0 0 "[ . 1]" 1
166 1 25 ARG HD3 1 44 TRP HZ2 3.500 . 5.000 3.373 2.335 4.710 . 0 0 "[ . 1]" 1
167 1 25 ARG HD2 1 44 TRP HZ2 3.700 . 5.400 3.779 2.668 4.826 . 0 0 "[ . 1]" 1
168 1 25 ARG HD3 1 44 TRP HH2 3.100 . 4.300 2.672 2.037 3.746 . 0 0 "[ . 1]" 1
169 1 25 ARG HD2 1 44 TRP HH2 3.600 . 5.200 3.378 1.983 3.901 0.017 1 0 "[ . 1]" 1
170 1 25 ARG HA 1 25 ARG HD3 3.800 . 5.600 4.633 4.296 4.820 . 0 0 "[ . 1]" 1
171 1 25 ARG HA 1 25 ARG HD2 3.900 . 5.800 4.500 4.333 4.691 . 0 0 "[ . 1]" 1
172 1 25 ARG HB3 1 25 ARG HD3 3.200 . 4.500 2.715 2.387 3.725 . 0 0 "[ . 1]" 1
173 1 25 ARG HB2 1 25 ARG HD3 3.100 . 4.300 3.187 2.965 3.702 . 0 0 "[ . 1]" 1
174 1 25 ARG HB2 1 25 ARG HD2 2.600 . 3.400 2.635 2.436 3.165 . 0 0 "[ . 1]" 1
175 1 26 VAL HA 1 47 TRP HZ2 4.500 . 6.000 4.837 4.566 5.067 . 0 0 "[ . 1]" 1
176 1 26 VAL HA 1 26 VAL QG 2.500 . 6.000 2.286 2.133 2.354 . 0 0 "[ . 1]" 1
177 1 23 ILE MG 1 26 VAL HA 3.600 . 5.200 3.495 3.311 3.741 . 0 0 "[ . 1]" 1
178 1 18 TYR QE 1 51 GLN QG 3.600 . 5.200 3.608 1.969 4.611 0.031 4 0 "[ . 1]" 1
179 1 26 VAL HA 1 26 VAL HB 2.700 . 3.600 2.558 2.416 3.027 . 0 0 "[ . 1]" 1
180 1 26 VAL HB 1 26 VAL QG 2.200 . 2.800 1.894 1.892 1.897 . 0 0 "[ . 1]" 1
181 1 23 ILE MG 1 26 VAL HB 3.400 . 4.900 3.027 2.401 4.401 . 0 0 "[ . 1]" 1
182 1 26 VAL QG 1 47 TRP HZ2 . . 3.800 2.297 2.001 2.561 . 0 0 "[ . 1]" 1
183 1 26 VAL QG 1 33 CYS HA 4.000 . 5.600 3.549 3.094 3.777 . 0 0 "[ . 1]" 1
184 1 4 THR HA 1 26 VAL QG 2.600 . 6.000 3.022 2.731 3.366 . 0 0 "[ . 1]" 1
185 1 26 VAL QG 1 33 CYS HB3 4.000 . 6.000 3.764 3.049 4.307 . 0 0 "[ . 1]" 1
186 1 26 VAL MG1 1 26 VAL MG2 2.100 . 6.000 2.085 2.076 2.090 . 0 0 "[ . 1]" 1
187 1 23 ILE MG 1 26 VAL QG 2.500 . 6.000 2.974 1.970 3.291 . 0 0 "[ . 1]" 1
188 1 26 VAL QG 1 47 TRP HH2 3.200 . 6.000 3.951 3.689 4.210 . 0 0 "[ . 1]" 1
189 1 3 LEU QD 1 26 VAL QG 3.900 . 5.800 3.384 2.877 3.767 . 0 0 "[ . 1]" 1
190 1 41 SER HB2 1 43 TYR QE 3.100 . 6.000 2.260 1.726 2.876 . 0 0 "[ . 1]" 1
191 1 27 SER HA 1 27 SER QB 2.700 . 3.600 2.331 2.186 2.389 . 0 0 "[ . 1]" 1
192 1 29 SER HA 1 29 SER QB 2.200 . 2.800 2.306 2.179 2.375 . 0 0 "[ . 1]" 1
193 1 26 VAL HA 1 33 CYS HB2 3.800 . 5.600 4.216 3.142 4.643 . 0 0 "[ . 1]" 1
194 1 23 ILE MG 1 33 CYS HA 3.800 . 5.600 3.952 3.625 4.509 . 0 0 "[ . 1]" 1
195 1 26 VAL QG 1 33 CYS HB2 4.100 . 6.000 3.984 2.277 4.537 . 0 0 "[ . 1]" 1
196 1 23 ILE MD 1 33 CYS HB2 3.200 . 6.000 3.721 3.404 4.335 . 0 0 "[ . 1]" 1
197 1 23 ILE MD 1 33 CYS HB3 3.000 . 6.000 3.522 3.024 4.604 . 0 0 "[ . 1]" 1
198 1 23 ILE HG13 1 33 CYS HB3 2.700 . 6.000 2.408 1.868 4.212 . 0 0 "[ . 1]" 1
199 1 21 GLY HA3 1 35 VAL HB 4.400 . 6.000 4.405 4.291 4.481 . 0 0 "[ . 1]" 1
200 1 35 VAL HB 1 35 VAL MG2 2.300 . 2.900 2.128 2.127 2.130 . 0 0 "[ . 1]" 1
201 1 35 VAL HA 1 35 VAL MG2 2.700 . 3.600 2.406 2.389 2.446 . 0 0 "[ . 1]" 1
202 1 35 VAL HA 1 35 VAL MG1 3.300 . 4.700 2.387 2.358 2.397 . 0 0 "[ . 1]" 1
203 1 21 GLY HA3 1 35 VAL MG2 3.500 . 6.000 4.456 4.288 4.563 . 0 0 "[ . 1]" 1
204 1 23 ILE HA 1 35 VAL MG2 2.700 . 6.000 2.633 2.370 3.106 . 0 0 "[ . 1]" 1
205 1 35 VAL MG1 1 35 VAL MG2 2.700 . 6.000 2.087 2.082 2.090 . 0 0 "[ . 1]" 1
206 1 36 THR HB 1 42 LYS HA 4.500 . 6.000 5.268 4.938 5.475 . 0 0 "[ . 1]" 1
207 1 36 THR HA 1 36 THR HB 2.700 . 3.600 3.027 3.019 3.033 . 0 0 "[ . 1]" 1
208 1 36 THR HA 1 36 THR MG 2.400 . 3.100 2.333 2.284 2.387 . 0 0 "[ . 1]" 1
209 1 40 ASN HA 1 41 SER HA 4.000 . 6.000 4.673 4.506 4.839 . 0 0 "[ . 1]" 1
210 1 36 THR MG 1 40 ASN HA 2.400 . 6.000 2.388 2.106 2.809 . 0 0 "[ . 1]" 1
211 1 38 GLU HA 1 38 GLU HG3 3.400 . 4.800 3.300 2.980 3.762 . 0 0 "[ . 1]" 1
212 1 38 GLU HA 1 38 GLU HG2 2.900 . 3.900 2.761 2.479 3.747 . 0 0 "[ . 1]" 1
213 1 38 GLU HB2 1 38 GLU HG3 2.900 . 4.000 2.462 2.352 3.010 . 0 0 "[ . 1]" 1
214 1 38 GLU HB3 1 38 GLU HG3 3.000 . 4.200 2.843 2.446 3.010 . 0 0 "[ . 1]" 1
215 1 38 GLU HB3 1 38 GLU HG2 2.500 . 3.300 2.576 2.389 3.011 . 0 0 "[ . 1]" 1
216 1 38 GLU HB2 1 38 GLU HG2 2.800 . 3.800 2.843 2.456 3.009 . 0 0 "[ . 1]" 1
217 1 6 GLY HA3 1 22 LYS HE2 4.400 . 6.000 3.497 3.130 3.926 . 0 0 "[ . 1]" 1
218 1 6 GLY HA3 1 22 LYS HD2 5.100 . 6.000 5.639 5.541 5.855 . 0 0 "[ . 1]" 1
219 1 6 GLY HA2 1 22 LYS HG3 3.800 . 5.600 3.165 2.972 3.353 . 0 0 "[ . 1]" 1
220 1 5 GLU HA 1 23 ILE HB 2.600 . 3.400 2.677 2.347 3.120 . 0 0 "[ . 1]" 1
221 1 5 GLU HA 1 5 GLU HB2 2.900 . 3.900 3.020 3.015 3.024 . 0 0 "[ . 1]" 1
222 1 5 GLU HA 1 23 ILE MG 2.200 . 6.000 2.113 1.729 2.434 . 0 0 "[ . 1]" 1
223 1 5 GLU HA 1 5 GLU QB 2.400 . 3.100 2.331 2.296 2.374 . 0 0 "[ . 1]" 1
224 1 5 GLU QB 1 5 GLU HG2 2.600 . 3.500 2.278 2.246 2.315 . 0 0 "[ . 1]" 1
225 1 5 GLU QB 1 23 ILE MD 4.500 . 6.000 5.371 5.157 5.730 . 0 0 "[ . 1]" 1
226 1 5 GLU HG3 1 26 VAL QG 3.000 . 4.200 2.248 1.798 2.663 0.002 2 0 "[ . 1]" 1
227 1 5 GLU HB2 1 26 VAL QG 2.800 . 6.000 4.260 3.920 4.740 . 0 0 "[ . 1]" 1
228 1 5 GLU HB3 1 26 VAL QG 3.000 . 6.000 4.384 3.874 4.879 . 0 0 "[ . 1]" 1
229 1 23 ILE HB 1 26 VAL QG 2.100 . 6.000 5.008 3.983 5.429 . 0 0 "[ . 1]" 1
230 1 4 THR HA 1 5 GLU HG3 4.200 . 6.000 3.536 3.403 3.654 . 0 0 "[ . 1]" 1
231 1 5 GLU HB2 1 5 GLU HG3 2.800 . 3.800 2.522 2.472 2.564 . 0 0 "[ . 1]" 1
232 1 5 GLU HG3 1 23 ILE MD 3.700 . 6.000 5.286 4.748 5.904 . 0 0 "[ . 1]" 1
233 1 5 GLU HG3 1 23 ILE MG 3.900 . 5.800 3.550 2.865 4.336 . 0 0 "[ . 1]" 1
234 1 5 GLU HG2 1 23 ILE MD 3.800 . 6.000 5.242 4.784 5.682 . 0 0 "[ . 1]" 1
235 1 3 LEU HA 1 3 LEU QD 2.400 . 3.100 1.948 1.859 2.016 . 0 0 "[ . 1]" 1
236 1 3 LEU HA 1 3 LEU HG 3.400 . 4.800 3.426 3.096 3.733 . 0 0 "[ . 1]" 1
237 1 47 TRP HA 1 50 ILE MD 2.500 . 6.000 2.610 2.255 2.858 . 0 0 "[ . 1]" 1
238 1 3 LEU HB3 1 3 LEU QD 2.700 . 3.600 2.256 2.116 2.421 . 0 0 "[ . 1]" 1
239 1 3 LEU HB2 1 3 LEU QD 2.800 . 3.700 2.271 2.229 2.318 . 0 0 "[ . 1]" 1
240 1 3 LEU HA 1 3 LEU HB3 2.600 . 3.400 2.492 2.449 2.567 . 0 0 "[ . 1]" 1
241 1 3 LEU MD1 1 3 LEU MD2 2.300 . 6.000 2.085 2.079 2.091 . 0 0 "[ . 1]" 1
242 1 3 LEU QD 1 50 ILE HB 3.600 . 6.000 2.647 2.153 3.296 . 0 0 "[ . 1]" 1
243 1 3 LEU QD 1 50 ILE MG 3.000 . 6.000 2.002 1.854 2.172 . 0 0 "[ . 1]" 1
244 1 3 LEU QD 1 23 ILE MG 4.000 . 6.000 3.877 3.648 4.099 . 0 0 "[ . 1]" 1
245 1 3 LEU QD 1 47 TRP HD1 3.300 . 4.700 2.921 2.328 3.496 . 0 0 "[ . 1]" 1
246 1 47 TRP HA 1 47 TRP HB3 2.900 . 3.900 2.504 2.456 2.519 . 0 0 "[ . 1]" 1
247 1 3 LEU QD 1 47 TRP HA 3.700 . 5.400 2.913 2.284 3.588 . 0 0 "[ . 1]" 1
248 1 3 LEU QD 1 47 TRP HB2 3.400 . 4.800 4.021 3.609 4.299 . 0 0 "[ . 1]" 1
249 1 3 LEU QD 1 50 ILE MD 2.400 . 6.000 2.747 2.137 3.507 . 0 0 "[ . 1]" 1
250 1 4 THR HB 1 4 THR MG 2.100 . 6.000 2.135 2.133 2.136 . 0 0 "[ . 1]" 1
251 1 4 THR HB 1 26 VAL QG 4.000 . 6.000 5.282 4.872 5.626 . 0 0 "[ . 1]" 1
252 1 4 THR HA 1 4 THR MG 2.300 . 2.900 2.368 2.312 2.446 . 0 0 "[ . 1]" 1
253 1 4 THR MG 1 7 GLN HG2 3.800 . 6.000 4.131 3.897 4.472 . 0 0 "[ . 1]" 1
254 1 4 THR HB 1 7 GLN HG2 3.900 . 5.800 3.432 2.997 3.943 . 0 0 "[ . 1]" 1
255 1 4 THR HB 1 7 GLN HG3 3.300 . 4.600 2.443 2.002 3.034 . 0 0 "[ . 1]" 1
256 1 4 THR HB 1 7 GLN HB3 4.700 . 6.000 4.772 4.445 5.278 . 0 0 "[ . 1]" 1
257 1 4 THR HB 1 7 GLN HB2 4.500 . 6.000 4.190 3.798 4.725 . 0 0 "[ . 1]" 1
258 1 4 THR HA 1 4 THR HB 2.300 . 3.000 3.026 3.021 3.030 0.030 9 0 "[ . 1]" 1
259 1 2 LYS HA 1 2 LYS HB3 2.500 . 3.300 2.837 2.506 3.029 . 0 0 "[ . 1]" 1
260 1 2 LYS HA 1 2 LYS HB2 2.600 . 3.500 2.618 2.333 3.026 . 0 0 "[ . 1]" 1
261 1 2 LYS HB3 1 2 LYS HG3 2.900 . 3.900 2.471 2.426 2.600 . 0 0 "[ . 1]" 1
262 1 2 LYS HB3 1 2 LYS HG2 2.800 . 3.800 2.649 2.384 3.012 . 0 0 "[ . 1]" 1
263 1 2 LYS HB2 1 2 LYS HG3 2.900 . 3.900 2.753 2.278 3.014 . 0 0 "[ . 1]" 1
264 1 2 LYS HA 1 2 LYS QG 2.900 . 4.000 2.881 2.375 3.468 . 0 0 "[ . 1]" 1
265 1 2 LYS HE2 1 2 LYS QG 3.100 . 4.300 2.787 2.380 3.311 . 0 0 "[ . 1]" 1
266 1 2 LYS HB3 1 2 LYS QG 2.600 . 3.400 2.251 2.166 2.447 . 0 0 "[ . 1]" 1
267 1 2 LYS HB2 1 2 LYS HG3 2.200 . 2.800 2.296 2.139 2.368 . 0 0 "[ . 1]" 1
268 1 2 LYS HA 1 2 LYS HD2 2.800 . 3.800 2.909 1.990 4.334 0.534 9 1 "[ . +1]" 1
269 1 2 LYS HD2 1 2 LYS HE2 2.300 . 2.900 2.732 2.422 3.017 0.117 3 0 "[ . 1]" 1
270 1 1 SER HA 1 1 SER HB3 2.400 . 3.100 2.543 2.387 3.034 . 0 0 "[ . 1]" 1
271 1 50 ILE HG12 1 50 ILE MG 2.900 . 3.900 2.398 2.385 2.405 . 0 0 "[ . 1]" 1
272 1 50 ILE HB 1 50 ILE MG 2.300 . 2.900 2.128 2.126 2.131 . 0 0 "[ . 1]" 1
273 1 9 VAL MG1 1 52 HIS HA 3.900 . 5.800 2.078 1.944 2.332 0.056 7 0 "[ . 1]" 1
274 1 9 VAL HB 1 52 HIS HA 4.000 . 6.000 3.472 3.166 3.626 . 0 0 "[ . 1]" 1
275 1 52 HIS HA 1 52 HIS QB 2.600 . 3.400 2.385 2.348 2.521 . 0 0 "[ . 1]" 1
276 1 10 LEU QB 1 18 TYR QD . . 3.300 2.201 1.859 2.535 0.141 9 0 "[ . 1]" 1
277 1 10 LEU QB 1 18 TYR QE 4.800 . 6.000 3.682 3.325 3.917 . 0 0 "[ . 1]" 1
278 1 10 LEU HG 1 18 TYR QD 4.700 . 6.000 4.936 4.553 5.380 . 0 0 "[ . 1]" 1
279 1 18 TYR HB3 1 18 TYR QE 4.100 . 6.000 4.394 4.380 4.414 . 0 0 "[ . 1]" 1
280 1 18 TYR HA 1 18 TYR HB3 3.000 . 4.100 2.554 2.531 2.605 . 0 0 "[ . 1]" 1
281 1 10 LEU MD2 1 18 TYR HB3 3.700 . 5.400 3.325 2.936 3.833 . 0 0 "[ . 1]" 1
282 1 10 LEU MD1 1 18 TYR QD 4.100 . 6.000 3.630 3.187 3.919 . 0 0 "[ . 1]" 1
283 1 10 LEU MD2 1 20 LEU HB3 4.600 . 6.000 4.157 3.618 4.524 . 0 0 "[ . 1]" 1
284 1 8 TYR QE 1 20 LEU HG 3.700 . 6.000 5.005 3.938 6.021 0.021 5 0 "[ . 1]" 1
285 1 8 TYR QD 1 20 LEU HG 3.000 . 6.000 3.422 2.661 4.548 . 0 0 "[ . 1]" 1
286 1 8 TYR QE 1 20 LEU QD 3.400 . 6.000 4.089 3.069 4.752 . 0 0 "[ . 1]" 1
287 1 8 TYR QD 1 20 LEU QD 2.800 . 6.000 2.794 1.828 3.504 . 0 0 "[ . 1]" 1
288 1 8 TYR HA 1 20 LEU QD 3.900 . 6.000 3.830 3.435 4.127 . 0 0 "[ . 1]" 1
289 1 11 CYS HA 1 45 VAL MG2 3.600 . 6.000 4.145 3.770 5.042 . 0 0 "[ . 1]" 1
290 1 11 CYS HA 1 50 ILE HG13 4.400 . 6.000 4.092 3.881 4.336 . 0 0 "[ . 1]" 1
291 1 11 CYS HA 1 50 ILE HA 2.700 . 3.600 2.437 2.150 2.675 . 0 0 "[ . 1]" 1
292 1 11 CYS HB2 1 45 VAL MG1 4.300 . 6.000 3.798 3.499 4.639 . 0 0 "[ . 1]" 1
293 1 11 CYS HB3 1 45 VAL MG2 2.900 . 6.000 2.176 1.641 4.024 . 0 0 "[ . 1]" 1
294 1 11 CYS HB3 1 45 VAL MG1 3.400 . 6.000 2.369 1.908 4.741 . 0 0 "[ . 1]" 1
295 1 12 ARG HA 1 18 TYR QE 4.500 . 6.000 4.417 4.275 4.597 . 0 0 "[ . 1]" 1
296 1 12 ARG HB2 1 12 ARG HG3 2.700 . 3.600 2.410 2.332 2.478 . 0 0 "[ . 1]" 1
297 1 12 ARG HB2 1 12 ARG HD3 3.500 . 5.000 3.148 2.486 3.773 . 0 0 "[ . 1]" 1
298 1 12 ARG HB3 1 18 TYR QD 4.800 . 6.000 4.630 4.314 5.009 . 0 0 "[ . 1]" 1
299 1 12 ARG HB3 1 49 ASP HB3 2.500 . 3.300 1.909 1.678 2.521 0.022 8 0 "[ . 1]" 1
300 1 12 ARG HB2 1 49 ASP HB3 4.500 . 6.000 3.532 3.353 4.043 . 0 0 "[ . 1]" 1
301 1 49 ASP HA 1 49 ASP HB2 2.900 . 4.000 3.022 3.014 3.027 . 0 0 "[ . 1]" 1
302 1 12 ARG HB2 1 49 ASP HB2 5.300 . 6.000 5.198 5.029 5.641 . 0 0 "[ . 1]" 1
303 1 12 ARG HA 1 12 ARG HG3 2.900 . 4.000 2.645 2.536 2.782 . 0 0 "[ . 1]" 1
304 1 12 ARG HA 1 12 ARG HG2 3.200 . 4.500 3.086 2.943 3.228 . 0 0 "[ . 1]" 1
305 1 12 ARG HD3 1 12 ARG HG2 2.700 . 3.600 2.508 2.354 3.015 . 0 0 "[ . 1]" 1
306 1 12 ARG HB3 1 12 ARG HG2 2.600 . 3.500 2.479 2.412 2.570 . 0 0 "[ . 1]" 1
307 1 12 ARG HG2 1 18 TYR QE 4.300 . 6.000 4.856 4.569 5.068 . 0 0 "[ . 1]" 1
308 1 12 ARG QD 1 18 TYR QE 3.400 . 4.800 3.187 2.608 4.259 . 0 0 "[ . 1]" 1
309 1 12 ARG QD 1 16 GLY HA2 4.000 . 6.000 3.677 2.987 4.522 . 0 0 "[ . 1]" 1
310 1 12 ARG HA 1 12 ARG QD 4.500 . 6.000 4.069 3.948 4.267 . 0 0 "[ . 1]" 1
311 1 12 ARG HD2 1 16 GLY HA3 4.500 . 6.000 5.817 4.724 6.333 0.333 3 0 "[ . 1]" 1
312 1 12 ARG HB2 1 12 ARG QD 2.800 . 3.800 2.541 2.307 3.130 . 0 0 "[ . 1]" 1
313 1 12 ARG QD 1 12 ARG HG3 2.600 . 3.500 2.324 2.173 2.418 . 0 0 "[ . 1]" 1
314 1 12 ARG HB3 1 12 ARG QD 2.900 . 3.900 2.414 2.287 2.855 . 0 0 "[ . 1]" 1
315 1 12 ARG QD 1 12 ARG HG2 2.600 . 3.500 2.312 2.171 2.389 . 0 0 "[ . 1]" 1
316 1 12 ARG QD 1 16 GLY HA3 4.900 . 6.000 5.083 4.429 5.829 . 0 0 "[ . 1]" 1
317 1 17 LEU HA 1 18 TYR QD 3.600 . 6.000 3.225 3.035 3.505 . 0 0 "[ . 1]" 1
318 1 17 LEU HA 1 18 TYR QE 4.200 . 6.000 4.706 4.579 5.057 . 0 0 "[ . 1]" 1
319 1 15 ASP HB2 1 17 LEU MD2 3.800 . 5.600 4.983 4.358 6.054 0.454 7 0 "[ . 1]" 1
320 1 13 TRP HD1 1 17 LEU MD1 3.000 . 6.000 5.814 5.549 6.014 0.014 1 0 "[ . 1]" 1
321 1 44 TRP HA 1 44 TRP HD1 4.000 . 6.000 4.089 3.983 4.151 . 0 0 "[ . 1]" 1
322 1 34 LEU QD 1 44 TRP HA 3.200 . 6.000 3.298 3.088 3.612 . 0 0 "[ . 1]" 1
323 1 21 GLY HA2 1 35 VAL MG1 4.300 . 6.000 3.301 3.244 3.353 . 0 0 "[ . 1]" 1
324 1 35 VAL MG1 1 37 PHE HZ 4.100 . 6.000 3.846 3.607 4.269 . 0 0 "[ . 1]" 1
325 1 23 ILE HG13 1 33 CYS HB3 4.500 . 6.000 4.953 4.510 5.758 . 0 0 "[ . 1]" 1
326 1 9 VAL MG2 1 23 ILE HG13 3.200 . 4.500 2.177 2.120 2.270 . 0 0 "[ . 1]" 1
327 1 23 ILE HA 1 35 VAL HA 2.500 . 3.300 2.390 2.260 2.713 . 0 0 "[ . 1]" 1
328 1 23 ILE HA 1 35 VAL MG1 3.500 . 5.000 3.179 2.974 3.369 . 0 0 "[ . 1]" 1
329 1 23 ILE HA 1 35 VAL HB 5.000 . 6.000 4.911 4.702 5.181 . 0 0 "[ . 1]" 1
330 1 34 LEU HA 1 44 TRP HE3 3.400 . 4.800 3.937 3.792 4.064 . 0 0 "[ . 1]" 1
331 1 34 LEU HA 1 44 TRP HZ3 4.400 . 6.000 4.958 4.762 5.175 . 0 0 "[ . 1]" 1
332 1 34 LEU HA 1 44 TRP HA 2.300 . 2.900 2.412 2.286 2.594 . 0 0 "[ . 1]" 1
333 1 34 LEU HA 1 44 TRP HB3 4.400 . 6.000 4.523 4.397 4.699 . 0 0 "[ . 1]" 1
334 1 34 LEU HA 1 44 TRP HB2 4.600 . 6.000 4.989 4.831 5.119 . 0 0 "[ . 1]" 1
335 1 34 LEU HA 1 34 LEU QD 2.300 . 5.000 2.090 1.938 2.180 0.062 4 0 "[ . 1]" 1
336 1 34 LEU HB2 1 44 TRP HA 4.000 . 6.000 4.166 3.939 4.576 . 0 0 "[ . 1]" 1
337 1 34 LEU HB2 1 34 LEU QD 2.700 . 3.100 2.145 2.110 2.405 . 0 0 "[ . 1]" 1
338 1 34 LEU HG 1 42 LYS HB2 4.000 . 6.000 3.703 3.205 4.932 . 0 0 "[ . 1]" 1
339 1 24 LYS QB 1 34 LEU HG 2.900 . 4.000 2.932 2.505 3.947 . 0 0 "[ . 1]" 1
340 1 34 LEU HG 1 44 TRP HA 4.400 . 6.000 5.401 5.292 5.612 . 0 0 "[ . 1]" 1
341 1 34 LEU MD1 1 34 LEU MD2 2.000 . 6.000 2.088 2.079 2.093 . 0 0 "[ . 1]" 1
342 1 34 LEU QD 1 42 LYS HB2 3.000 . 4.100 2.649 2.484 2.882 . 0 0 "[ . 1]" 1
343 1 34 LEU QD 1 44 TRP HD1 3.000 . 6.000 3.112 2.834 3.470 . 0 0 "[ . 1]" 1
344 1 34 LEU QD 1 44 TRP HZ3 4.600 . 6.000 4.723 4.565 5.000 . 0 0 "[ . 1]" 1
345 1 34 LEU QD 1 44 TRP HH2 3.800 . 5.600 3.980 3.683 4.558 . 0 0 "[ . 1]" 1
346 1 25 ARG HD2 1 34 LEU QD 3.400 . 4.800 3.513 2.210 4.097 . 0 0 "[ . 1]" 1
347 1 25 ARG HB2 1 34 LEU QD 3.000 . 6.000 2.924 2.306 3.366 . 0 0 "[ . 1]" 1
348 1 25 ARG HD3 1 25 ARG HG3 3.000 . 4.100 2.893 2.404 3.017 . 0 0 "[ . 1]" 1
349 1 25 ARG HD2 1 25 ARG HG3 2.700 . 3.600 2.559 2.387 3.016 . 0 0 "[ . 1]" 1
350 1 25 ARG HG3 1 34 LEU QD 3.500 . 6.000 4.357 2.428 5.034 . 0 0 "[ . 1]" 1
351 1 25 ARG HG3 1 34 LEU HB3 4.300 . 6.000 4.607 2.952 5.131 . 0 0 "[ . 1]" 1
352 1 25 ARG HB3 1 34 LEU HB3 2.700 . 3.600 2.363 1.912 3.617 0.017 4 0 "[ . 1]" 1
353 1 32 SER HA 1 46 LEU HA 2.300 . 2.900 2.195 2.031 2.462 . 0 0 "[ . 1]" 1
354 1 32 SER HA 1 32 SER QB 2.800 . 3.400 2.279 2.170 2.389 . 0 0 "[ . 1]" 1
355 1 32 SER HA 1 46 LEU HB2 4.600 . 6.000 4.365 3.629 4.619 . 0 0 "[ . 1]" 1
356 1 32 SER HA 1 46 LEU MD1 4.100 . 6.000 5.281 4.163 5.761 . 0 0 "[ . 1]" 1
357 1 32 SER QB 1 44 TRP HZ3 4.300 . 6.000 4.182 3.598 4.594 . 0 0 "[ . 1]" 1
358 1 32 SER QB 1 46 LEU HA 3.500 . 5.000 2.647 2.038 3.369 . 0 0 "[ . 1]" 1
359 1 32 SER QB 1 44 TRP HB2 5.200 . 6.000 4.454 3.772 5.155 . 0 0 "[ . 1]" 1
360 1 30 LYS HB3 1 32 SER QB 3.400 . 4.800 3.386 2.651 4.160 . 0 0 "[ . 1]" 1
361 1 32 SER QB 1 46 LEU MD1 3.800 . 6.000 4.321 3.231 5.469 . 0 0 "[ . 1]" 1
362 1 46 LEU HA 1 46 LEU MD1 3.300 . 4.700 3.655 2.840 3.866 . 0 0 "[ . 1]" 1
363 1 46 LEU HA 1 46 LEU HB2 3.000 . 4.100 3.014 3.002 3.021 . 0 0 "[ . 1]" 1
364 1 32 SER QB 1 46 LEU HG 3.400 . 4.800 3.579 2.571 4.459 . 0 0 "[ . 1]" 1
365 1 46 LEU MD1 1 46 LEU HG 2.400 . 3.100 2.125 2.123 2.127 . 0 0 "[ . 1]" 1
366 1 46 LEU HA 1 46 LEU MD2 2.800 . 3.800 2.350 1.967 3.746 . 0 0 "[ . 1]" 1
367 1 32 SER HA 1 46 LEU MD2 3.900 . 5.800 3.555 2.934 5.176 . 0 0 "[ . 1]" 1
368 1 46 LEU MD2 1 48 LYS QE 3.200 . 6.000 4.763 1.767 6.053 0.053 8 0 "[ . 1]" 1
369 1 46 LEU MD2 1 48 LYS QG 3.800 . 5.400 3.642 2.786 4.014 . 0 0 "[ . 1]" 1
370 1 46 LEU MD2 1 48 LYS HD3 3.900 . 6.000 4.669 2.323 6.137 0.137 3 0 "[ . 1]" 1
371 1 35 VAL MG2 1 45 VAL MG2 3.000 . 6.000 2.800 2.528 3.243 . 0 0 "[ . 1]" 1
372 1 35 VAL MG2 1 45 VAL MG1 3.000 . 6.000 3.978 3.696 4.393 . 0 0 "[ . 1]" 1
373 1 22 LYS HB3 1 36 THR HB 3.400 . 4.800 2.929 2.647 3.387 . 0 0 "[ . 1]" 1
374 1 22 LYS HB2 1 36 THR HB 4.500 . 6.000 4.609 4.360 5.082 . 0 0 "[ . 1]" 1
375 1 24 LYS QB 1 36 THR HB 4.200 . 6.000 3.515 2.983 3.977 . 0 0 "[ . 1]" 1
376 1 36 THR MG 1 40 ASN HB2 3.700 . 6.000 4.403 3.579 4.793 . 0 0 "[ . 1]" 1
377 1 20 LEU QD 1 38 GLU HG3 3.400 . 6.000 3.748 2.191 5.596 . 0 0 "[ . 1]" 1
378 1 20 LEU QD 1 38 GLU HG2 3.300 . 6.000 3.599 2.783 4.494 . 0 0 "[ . 1]" 1
379 1 36 THR HB 1 40 ASN HA 4.500 . 6.000 4.987 4.707 5.495 . 0 0 "[ . 1]" 1
380 1 39 ASP HA 1 40 ASN HB2 3.700 . 5.400 4.473 3.975 5.735 0.335 6 0 "[ . 1]" 1
381 1 40 ASN HA 1 40 ASN HB2 2.100 . 2.600 2.640 2.391 3.020 0.420 1 0 "[ . 1]" 1
382 1 41 SER HA 1 41 SER HB2 2.900 . 4.000 2.833 2.494 3.032 . 0 0 "[ . 1]" 1
383 1 34 LEU QD 1 42 LYS HB2 2.900 . 3.900 2.773 2.524 3.128 . 0 0 "[ . 1]" 1
384 1 42 LYS HB2 1 42 LYS HE2 3.200 . 4.500 3.056 1.894 4.802 0.302 3 0 "[ . 1]" 1
385 1 36 THR HA 1 42 LYS HG2 2.600 . 3.400 2.767 2.194 3.359 . 0 0 "[ . 1]" 1
386 1 36 THR HB 1 42 LYS HG2 4.000 . 6.000 4.188 3.848 4.756 . 0 0 "[ . 1]" 1
387 1 42 LYS HE2 1 42 LYS HG2 2.700 . 3.600 3.369 2.486 3.697 0.097 4 0 "[ . 1]" 1
388 1 34 LEU QD 1 42 LYS HG2 3.300 . 5.200 3.508 3.071 3.844 . 0 0 "[ . 1]" 1
389 1 34 LEU QD 1 42 LYS HD3 3.900 . 6.000 3.448 1.883 4.029 . 0 0 "[ . 1]" 1
390 1 34 LEU QD 1 42 LYS HD2 4.400 . 5.800 3.203 2.001 4.339 . 0 0 "[ . 1]" 1
391 1 42 LYS HD3 1 42 LYS HE2 2.800 . 3.800 2.553 2.353 3.008 . 0 0 "[ . 1]" 1
392 1 42 LYS HD2 1 42 LYS HE2 3.000 . 4.100 2.801 2.471 3.015 . 0 0 "[ . 1]" 1
393 1 42 LYS HA 1 42 LYS HD3 4.700 . 6.000 4.655 4.222 4.899 . 0 0 "[ . 1]" 1
394 1 45 VAL HA 1 45 VAL MG1 2.500 . 6.000 2.332 2.311 2.353 . 0 0 "[ . 1]" 1
395 1 45 VAL HA 1 45 VAL HB 2.700 . 3.600 3.024 3.019 3.028 . 0 0 "[ . 1]" 1
396 1 45 VAL HB 1 45 VAL MG2 2.300 . 2.900 2.127 2.125 2.129 . 0 0 "[ . 1]" 1
397 1 45 VAL HB 1 45 VAL MG1 2.200 . 2.800 2.128 2.127 2.129 . 0 0 "[ . 1]" 1
398 1 45 VAL HB 1 50 ILE HG13 3.800 . 5.600 2.898 2.834 2.985 . 0 0 "[ . 1]" 1
399 1 45 VAL HB 1 50 ILE MD 2.400 . 3.100 1.943 1.779 2.179 . 0 0 "[ . 1]" 1
400 1 35 VAL MG2 1 45 VAL HB 2.700 . 6.000 2.971 2.717 3.392 . 0 0 "[ . 1]" 1
401 1 33 CYS HB2 1 45 VAL HB 4.600 . 6.000 4.418 3.978 5.968 . 0 0 "[ . 1]" 1
402 1 33 CYS HB3 1 45 VAL HB 4.800 . 6.000 5.338 3.806 5.848 . 0 0 "[ . 1]" 1
403 1 45 VAL HA 1 50 ILE MD 4.700 . 6.000 4.258 4.108 4.423 . 0 0 "[ . 1]" 1
404 1 37 PHE HZ 1 45 VAL MG2 2.800 . 6.000 2.290 1.911 2.542 . 0 0 "[ . 1]" 1
405 1 13 TRP HZ3 1 45 VAL MG1 3.600 . 5.200 4.185 3.574 5.086 . 0 0 "[ . 1]" 1
406 1 44 TRP HA 1 45 VAL MG1 4.300 . 6.000 5.488 5.471 5.499 . 0 0 "[ . 1]" 1
407 1 11 CYS HB2 1 45 VAL MG2 3.800 . 5.600 3.150 2.723 4.156 . 0 0 "[ . 1]" 1
408 1 43 TYR HB3 1 45 VAL MG2 3.400 . 4.800 3.341 3.046 3.830 . 0 0 "[ . 1]" 1
409 1 35 VAL HB 1 45 VAL MG2 2.800 . 6.000 2.969 2.593 3.778 . 0 0 "[ . 1]" 1
410 1 45 VAL MG2 1 49 ASP HB2 3.500 . 6.000 4.736 4.622 5.017 . 0 0 "[ . 1]" 1
411 1 45 VAL MG2 1 49 ASP HB3 3.300 . 6.000 5.133 4.983 5.421 . 0 0 "[ . 1]" 1
412 1 44 TRP HA 1 45 VAL MG2 3.500 . 5.000 3.617 3.522 3.691 . 0 0 "[ . 1]" 1
413 1 45 VAL MG2 1 50 ILE HB 4.300 . 6.000 6.054 6.028 6.097 0.097 8 0 "[ . 1]" 1
414 1 45 VAL MG2 1 50 ILE MD 3.200 . 6.000 3.404 3.215 3.605 . 0 0 "[ . 1]" 1
415 1 46 LEU MD2 1 46 LEU HG 2.000 . 2.500 2.128 2.123 2.130 . 0 0 "[ . 1]" 1
416 1 46 LEU HB2 1 46 LEU MD1 2.400 . 3.100 2.314 2.287 2.356 . 0 0 "[ . 1]" 1
417 1 48 LYS HA 1 48 LYS HD2 4.800 . 6.000 4.509 2.185 5.539 . 0 0 "[ . 1]" 1
418 1 48 LYS HA 1 48 LYS HB3 2.300 . 3.000 2.422 2.393 2.448 . 0 0 "[ . 1]" 1
419 1 48 LYS HA 1 48 LYS HB2 2.400 . 3.100 2.583 2.450 3.024 . 0 0 "[ . 1]" 1
420 1 48 LYS HB3 1 48 LYS QG 2.500 . 3.300 2.339 2.308 2.379 . 0 0 "[ . 1]" 1
421 1 48 LYS HB2 1 48 LYS QG 3.100 . 3.500 2.317 2.162 2.381 . 0 0 "[ . 1]" 1
422 1 46 LEU MD1 1 48 LYS HB2 5.100 . 6.000 5.062 3.518 6.638 0.638 6 1 "[ .+ 1]" 1
423 1 46 LEU MD1 1 48 LYS HB3 4.700 . 6.000 4.966 4.447 6.140 0.140 6 0 "[ . 1]" 1
424 1 48 LYS HE3 1 48 LYS QG 4.000 . 6.000 2.849 2.407 3.489 . 0 0 "[ . 1]" 1
425 1 48 LYS HE2 1 48 LYS QG 3.500 . 5.000 2.683 2.358 3.312 . 0 0 "[ . 1]" 1
426 1 46 LEU HB2 1 48 LYS QG 2.800 . 3.700 2.631 2.117 3.885 0.185 3 0 "[ . 1]" 1
427 1 48 LYS HD3 1 48 LYS QG 3.100 . 3.600 2.248 2.172 2.373 . 0 0 "[ . 1]" 1
428 1 46 LEU MD2 1 48 LYS HD2 3.400 . 6.000 4.838 2.930 6.482 0.482 3 0 "[ . 1]" 1
429 1 48 LYS HA 1 48 LYS HD3 4.600 . 6.000 4.798 2.123 5.540 . 0 0 "[ . 1]" 1
430 1 48 LYS HD3 1 48 LYS HE2 2.600 . 3.500 2.572 2.418 3.014 . 0 0 "[ . 1]" 1
431 1 48 LYS HD2 1 48 LYS HE3 2.700 . 3.600 2.482 2.385 3.015 . 0 0 "[ . 1]" 1
432 1 48 LYS HB2 1 48 LYS QE 3.400 . 4.800 2.729 1.875 4.529 0.125 1 0 "[ . 1]" 1
433 1 48 LYS QE 1 48 LYS QG 3.300 . 3.900 2.379 2.131 2.708 . 0 0 "[ . 1]" 1
434 1 50 ILE HB 1 50 ILE MD 2.500 . 6.000 2.435 2.425 2.446 . 0 0 "[ . 1]" 1
435 1 50 ILE HB 1 50 ILE HG12 3.000 . 4.100 3.024 3.020 3.026 . 0 0 "[ . 1]" 1
436 1 47 TRP HA 1 50 ILE HB 2.800 . 3.800 2.370 2.107 2.651 . 0 0 "[ . 1]" 1
437 1 47 TRP HD1 1 50 ILE HB 4.500 . 6.000 3.836 3.429 4.197 . 0 0 "[ . 1]" 1
438 1 50 ILE HA 1 50 ILE HG13 3.100 . 4.300 2.969 2.907 3.027 . 0 0 "[ . 1]" 1
439 1 45 VAL MG2 1 50 ILE HG13 3.700 . 5.400 4.217 4.139 4.284 . 0 0 "[ . 1]" 1
440 1 45 VAL MG2 1 50 ILE HG12 3.300 . 6.000 3.701 3.570 3.897 . 0 0 "[ . 1]" 1
441 1 47 TRP HA 1 50 ILE HG12 4.600 . 6.000 4.584 4.329 4.804 . 0 0 "[ . 1]" 1
442 1 50 ILE HA 1 50 ILE HG12 2.900 . 4.000 2.467 2.429 2.518 . 0 0 "[ . 1]" 1
443 1 47 TRP HD1 1 50 ILE MG 4.600 . 6.000 4.313 3.898 4.614 . 0 0 "[ . 1]" 1
444 1 11 CYS HA 1 50 ILE MG 3.500 . 5.100 3.655 3.205 3.950 . 0 0 "[ . 1]" 1
445 1 50 ILE HA 1 50 ILE MG 2.500 . 3.300 2.455 2.398 2.511 . 0 0 "[ . 1]" 1
446 1 47 TRP HA 1 50 ILE MG 3.700 . 5.400 3.827 3.635 4.041 . 0 0 "[ . 1]" 1
447 1 50 ILE HG13 1 50 ILE MG 3.200 . 4.500 3.202 3.198 3.205 . 0 0 "[ . 1]" 1
448 1 3 LEU HG 1 50 ILE MG 3.400 . 6.000 3.656 3.091 4.362 . 0 0 "[ . 1]" 1
449 1 45 VAL MG2 1 50 ILE MG 3.800 . 6.000 4.951 4.746 5.105 . 0 0 "[ . 1]" 1
450 1 50 ILE HA 1 50 ILE MD 3.700 . 5.400 3.798 3.779 3.822 . 0 0 "[ . 1]" 1
451 1 33 CYS HB2 1 50 ILE MD 2.700 . 3.600 2.306 2.035 3.026 . 0 0 "[ . 1]" 1
452 1 33 CYS HB3 1 50 ILE MD 2.800 . 6.000 3.168 1.891 3.524 . 0 0 "[ . 1]" 1
453 1 50 ILE MD 1 50 ILE HG12 2.400 . 3.100 2.118 2.116 2.120 . 0 0 "[ . 1]" 1
454 1 3 LEU HB2 1 50 ILE MD 2.300 . 6.000 5.078 4.772 5.644 . 0 0 "[ . 1]" 1
455 1 50 ILE MD 1 50 ILE HG13 2.300 . 3.000 2.119 2.117 2.121 . 0 0 "[ . 1]" 1
456 1 5 GLU HA 1 23 ILE MD 3.800 . 6.000 3.875 3.641 4.300 . 0 0 "[ . 1]" 1
457 1 7 GLN HG3 1 23 ILE MD 4.000 . 6.000 3.825 3.454 4.283 . 0 0 "[ . 1]" 1
458 1 7 GLN HG2 1 23 ILE MD 3.100 . 6.000 4.912 4.616 5.346 . 0 0 "[ . 1]" 1
459 1 23 ILE MD 1 23 ILE HG12 2.100 . 2.700 2.118 2.117 2.119 . 0 0 "[ . 1]" 1
460 1 23 ILE MD 1 23 ILE HG13 2.000 . 2.500 2.121 2.119 2.122 . 0 0 "[ . 1]" 1
461 1 23 ILE MD 1 23 ILE MG 2.000 . 6.000 1.913 1.891 1.938 . 0 0 "[ . 1]" 1
462 1 9 VAL MG2 1 23 ILE MD 2.200 . 6.000 2.583 2.347 2.923 . 0 0 "[ . 1]" 1
463 1 23 ILE MG 1 25 ARG HA 3.300 . 4.600 3.714 3.576 3.928 . 0 0 "[ . 1]" 1
464 1 4 THR HA 1 23 ILE MG 3.300 . 6.000 4.211 3.804 4.500 . 0 0 "[ . 1]" 1
465 1 23 ILE MG 1 33 CYS HB2 2.900 . 6.000 3.455 3.258 3.920 . 0 0 "[ . 1]" 1
466 1 5 GLU HG2 1 23 ILE MG 3.000 . 4.100 2.800 2.099 3.456 . 0 0 "[ . 1]" 1
467 1 5 GLU HB3 1 23 ILE MG 3.700 . 5.400 3.555 3.190 4.013 . 0 0 "[ . 1]" 1
468 1 23 ILE HG12 1 23 ILE MG 2.500 . 3.300 2.396 2.381 2.417 . 0 0 "[ . 1]" 1
469 1 51 GLN HA 1 51 GLN HG2 3.900 . 5.800 3.414 2.704 3.795 . 0 0 "[ . 1]" 1
470 1 51 GLN HA 1 51 GLN HB3 2.800 . 3.800 2.813 2.480 3.029 . 0 0 "[ . 1]" 1
471 1 51 GLN HA 1 51 GLN HB2 2.800 . 3.700 2.734 2.452 3.028 . 0 0 "[ . 1]" 1
472 1 10 LEU QB 1 51 GLN HB3 3.000 . 6.000 2.928 1.872 4.178 . 0 0 "[ . 1]" 1
473 1 10 LEU QB 1 51 GLN HB2 3.100 . 4.300 3.262 2.119 4.365 0.065 7 0 "[ . 1]" 1
474 1 10 LEU MD1 1 51 GLN HB3 4.000 . 6.000 3.542 2.659 5.078 . 0 0 "[ . 1]" 1
475 1 10 LEU MD1 1 51 GLN HB2 4.100 . 6.000 4.164 3.366 4.906 . 0 0 "[ . 1]" 1
476 1 18 TYR QE 1 51 GLN HB3 3.800 . 5.600 3.750 3.056 5.233 . 0 0 "[ . 1]" 1
477 1 18 TYR QE 1 51 GLN HB2 3.300 . 4.700 2.958 2.017 3.770 . 0 0 "[ . 1]" 1
478 1 18 TYR QD 1 51 GLN HB2 3.200 . 4.500 4.009 3.096 5.252 0.752 7 1 "[ . + 1]" 1
479 1 18 TYR QD 1 51 GLN QG 3.100 . 6.000 4.689 3.474 5.469 . 0 0 "[ . 1]" 1
480 1 51 GLN HA 1 51 GLN QG 3.000 . 4.100 2.737 2.394 3.039 . 0 0 "[ . 1]" 1
481 1 51 GLN HB2 1 51 GLN QG 2.600 . 3.400 2.318 2.154 2.414 . 0 0 "[ . 1]" 1
482 1 10 LEU QB 1 51 GLN QG 3.700 . 5.400 3.921 3.437 4.709 . 0 0 "[ . 1]" 1
483 1 10 LEU MD1 1 51 GLN QG 3.900 . 5.800 3.901 2.836 5.800 0.000 2 0 "[ . 1]" 1
484 1 52 HIS HB2 1 52 HIS HD2 2.800 . 6.000 3.802 2.765 3.963 . 0 0 "[ . 1]" 1
485 1 52 HIS HA 1 52 HIS HB2 2.700 . 3.600 3.016 2.929 3.029 . 0 0 "[ . 1]" 1
486 1 52 HIS HB2 1 53 ALA HA 3.900 . 5.800 5.004 4.811 5.380 . 0 0 "[ . 1]" 1
487 1 10 LEU QB 1 53 ALA HA 3.500 . 6.000 4.501 4.112 5.148 . 0 0 "[ . 1]" 1
488 1 10 LEU HG 1 53 ALA HA 3.200 . 4.500 2.712 2.017 3.507 . 0 0 "[ . 1]" 1
489 1 53 ALA HA 1 53 ALA MB 2.200 . 2.800 2.130 2.128 2.132 . 0 0 "[ . 1]" 1
490 1 8 TYR HB3 1 53 ALA MB 3.100 . 4.300 2.875 2.211 3.795 . 0 0 "[ . 1]" 1
491 1 8 TYR HB2 1 53 ALA MB 3.100 . 4.300 2.964 2.568 3.366 . 0 0 "[ . 1]" 1
492 1 20 LEU QD 1 53 ALA MB 2.300 . 6.000 2.284 2.127 2.469 . 0 0 "[ . 1]" 1
493 1 10 LEU QD 1 53 ALA MB 3.600 . 5.200 2.450 2.230 2.625 . 0 0 "[ . 1]" 1
494 1 10 LEU QB 1 53 ALA MB 3.000 . 6.000 4.021 3.682 4.587 . 0 0 "[ . 1]" 1
495 1 10 LEU MD2 1 53 ALA MB 2.400 . 6.000 2.531 2.280 2.769 . 0 0 "[ . 1]" 1
496 1 10 LEU MD1 1 53 ALA MB 4.000 . 6.000 3.362 2.864 3.850 . 0 0 "[ . 1]" 1
497 1 8 TYR QD 1 53 ALA MB 3.100 . 6.000 4.279 3.612 4.698 . 0 0 "[ . 1]" 1
498 1 56 PRO HA 1 56 PRO HG2 4.200 . 6.000 3.878 3.827 3.923 . 0 0 "[ . 1]" 1
499 1 56 PRO HD2 1 56 PRO HG2 2.900 . 3.900 2.309 2.300 2.320 . 0 0 "[ . 1]" 1
500 1 55 VAL MG2 1 56 PRO HD2 4.200 . 6.000 3.460 1.915 3.876 0.085 8 0 "[ . 1]" 1
501 1 55 VAL MG2 1 56 PRO HD3 4.100 . 6.000 4.338 3.367 4.652 . 0 0 "[ . 1]" 1
502 1 26 VAL QG 1 28 SER HA 4.100 . 6.000 3.615 3.286 3.872 . 0 0 "[ . 1]" 1
503 1 26 VAL QG 1 28 SER HB2 3.800 . 6.000 4.728 3.542 5.326 . 0 0 "[ . 1]" 1
504 1 13 TRP HB2 1 19 TYR QD 3.200 . 6.000 2.514 1.962 3.053 . 0 0 "[ . 1]" 1
505 1 55 VAL HA 1 55 VAL MG2 2.800 . 3.800 3.126 2.337 3.219 . 0 0 "[ . 1]" 1
506 1 55 VAL HA 1 55 VAL HB 2.700 . 3.600 2.463 2.421 2.491 . 0 0 "[ . 1]" 1
507 1 55 VAL HA 1 56 PRO HD3 2.300 . 3.000 2.315 1.976 2.646 . 0 0 "[ . 1]" 1
508 1 55 VAL HA 1 56 PRO HD2 2.500 . 3.300 2.451 2.016 2.786 . 0 0 "[ . 1]" 1
509 1 55 VAL HB 1 55 VAL MG2 2.300 . 6.000 2.128 2.125 2.130 . 0 0 "[ . 1]" 1
510 1 55 VAL HB 1 56 PRO HD3 3.700 . 5.400 3.573 3.059 4.908 . 0 0 "[ . 1]" 1
511 1 55 VAL HB 1 56 PRO HD2 2.800 . 3.800 2.286 1.769 3.705 0.031 3 0 "[ . 1]" 1
512 1 55 VAL MG2 1 56 PRO HB2 4.000 . 6.000 5.110 4.223 5.700 . 0 0 "[ . 1]" 1
513 1 56 PRO HB2 1 57 GLY HA2 3.900 . 5.800 4.962 4.539 5.710 . 0 0 "[ . 1]" 1
514 1 55 VAL MG2 1 57 GLY HA2 3.600 . 6.000 3.697 2.496 5.359 . 0 0 "[ . 1]" 1
515 1 58 GLU HA 1 58 GLU HG2 3.600 . 5.200 3.201 2.569 3.738 . 0 0 "[ . 1]" 1
516 1 25 ARG HB3 1 44 TRP HH2 3.300 . 4.600 3.317 2.682 3.788 . 0 0 "[ . 1]" 1
517 1 30 LYS HA 1 30 LYS HG2 3.200 . 4.400 3.330 2.635 3.661 . 0 0 "[ . 1]" 1
518 1 30 LYS HA 1 30 LYS HB3 2.700 . 3.600 2.544 2.479 2.624 . 0 0 "[ . 1]" 1
519 1 30 LYS HA 1 30 LYS HG3 2.900 . 4.000 2.747 2.301 3.751 . 0 0 "[ . 1]" 1
520 1 29 SER QB 1 30 LYS HG2 3.500 . 5.100 4.489 3.259 5.377 0.277 10 0 "[ . 1]" 1
521 1 30 LYS HA 1 30 LYS HD2 3.600 . 5.200 3.312 2.005 4.805 . 0 0 "[ . 1]" 1
522 1 29 SER QB 1 30 LYS HD2 3.200 . 4.400 3.281 1.949 5.168 0.768 1 1 "[+ . 1]" 1
523 1 30 LYS HB3 1 30 LYS HE2 4.300 . 6.000 4.335 2.077 5.507 . 0 0 "[ . 1]" 1
524 1 30 LYS HD2 1 30 LYS HE2 3.000 . 4.100 2.741 2.441 3.016 . 0 0 "[ . 1]" 1
525 1 30 LYS HE2 1 30 LYS HG3 3.500 . 5.100 3.231 2.470 3.808 . 0 0 "[ . 1]" 1
526 1 30 LYS HE2 1 30 LYS HG2 3.400 . 4.800 3.199 2.454 3.699 . 0 0 "[ . 1]" 1
527 1 30 LYS HB2 1 30 LYS HE2 4.200 . 6.000 4.100 2.015 5.503 . 0 0 "[ . 1]" 1
528 1 30 LYS HB2 1 32 SER QB 3.800 . 5.600 3.681 2.872 4.532 . 0 0 "[ . 1]" 1
529 1 8 TYR HB2 1 8 TYR QD 3.000 . 4.200 2.460 2.313 2.626 . 0 0 "[ . 1]" 1
530 1 18 TYR HA 1 18 TYR QE 3.400 . 4.900 4.639 4.573 4.687 . 0 0 "[ . 1]" 1
531 1 18 TYR QE 1 49 ASP HA 4.100 . 6.000 4.598 4.121 5.179 . 0 0 "[ . 1]" 1
532 1 12 ARG HD2 1 18 TYR QE 3.800 . 5.600 3.486 2.637 5.068 . 0 0 "[ . 1]" 1
533 1 18 TYR HB2 1 18 TYR QE 4.500 . 6.000 4.434 4.418 4.448 . 0 0 "[ . 1]" 1
534 1 8 TYR QE 1 22 LYS HB2 3.000 . 4.100 2.601 2.072 2.994 . 0 0 "[ . 1]" 1
535 1 19 TYR HB2 1 19 TYR QD 3.600 . 5.200 2.387 2.321 2.486 . 0 0 "[ . 1]" 1
536 1 37 PHE HA 1 37 PHE QD 3.700 . 5.400 2.822 2.633 2.940 . 0 0 "[ . 1]" 1
537 1 37 PHE HZ 1 45 VAL MG1 4.300 . 6.000 4.108 3.859 4.446 . 0 0 "[ . 1]" 1
538 1 43 TYR HB3 1 45 VAL MG1 4.600 . 6.000 5.537 5.192 5.960 . 0 0 "[ . 1]" 1
539 1 37 PHE HZ 1 43 TYR HB3 4.800 . 6.000 4.646 4.306 4.945 . 0 0 "[ . 1]" 1
540 1 45 VAL MG1 1 49 ASP HB2 3.300 . 4.700 2.216 2.056 2.496 . 0 0 "[ . 1]" 1
541 1 45 VAL MG1 1 49 ASP HB3 4.300 . 6.000 2.999 2.818 3.285 . 0 0 "[ . 1]" 1
542 1 34 LEU HA 1 44 TRP HZ2 4.500 . 6.000 5.427 5.114 5.592 . 0 0 "[ . 1]" 1
543 1 34 LEU QD 1 44 TRP HZ2 3.600 . 5.200 2.924 2.741 3.623 . 0 0 "[ . 1]" 1
544 1 45 VAL HB 1 47 TRP HD1 5.600 . 6.000 5.435 5.270 5.645 . 0 0 "[ . 1]" 1
545 1 47 TRP HD1 1 50 ILE MD 3.700 . 5.400 2.335 2.132 2.663 . 0 0 "[ . 1]" 1
546 1 31 GLN HG2 1 47 TRP HZ3 3.300 . 4.600 3.687 3.147 4.900 0.300 9 0 "[ . 1]" 1
547 1 31 GLN HG3 1 47 TRP HZ3 3.600 . 6.000 4.973 3.410 5.488 . 0 0 "[ . 1]" 1
548 1 15 ASP H 1 17 LEU H 3.600 . 5.300 3.564 3.412 3.697 . 0 0 "[ . 1]" 1
549 1 13 TRP HD1 1 17 LEU H 3.300 . 6.000 5.479 4.865 5.896 . 0 0 "[ . 1]" 1
550 1 17 LEU H 1 17 LEU HA 2.900 . 3.900 2.927 2.905 2.944 . 0 0 "[ . 1]" 1
551 1 16 GLY HA2 1 17 LEU H 3.400 . 4.900 3.202 3.003 3.293 . 0 0 "[ . 1]" 1
552 1 16 GLY HA3 1 17 LEU H 3.600 . 5.200 3.306 3.230 3.463 . 0 0 "[ . 1]" 1
553 1 17 LEU H 1 17 LEU HB2 2.500 . 3.300 2.509 2.400 2.646 . 0 0 "[ . 1]" 1
554 1 17 LEU H 1 17 LEU HG 2.500 . 3.300 2.711 2.573 2.963 . 0 0 "[ . 1]" 1
555 1 17 LEU H 1 17 LEU HB3 3.700 . 5.400 3.671 3.610 3.769 . 0 0 "[ . 1]" 1
556 1 17 LEU H 1 17 LEU QD 3.700 . 5.400 3.295 3.230 3.398 . 0 0 "[ . 1]" 1
557 1 2 LYS HA 1 3 LEU H 2.500 . 3.300 2.161 2.128 2.236 . 0 0 "[ . 1]" 1
558 1 2 LYS HB3 1 3 LEU H 4.000 . 6.000 4.124 3.320 4.431 . 0 0 "[ . 1]" 1
559 1 2 LYS HB2 1 3 LEU H 4.200 . 6.000 3.412 2.706 4.097 . 0 0 "[ . 1]" 1
560 1 3 LEU H 1 3 LEU HB3 3.800 . 5.600 3.671 3.605 3.744 . 0 0 "[ . 1]" 1
561 1 3 LEU H 1 3 LEU QD 4.000 . 5.000 2.763 2.073 3.365 . 0 0 "[ . 1]" 1
562 1 3 LEU H 1 3 LEU HA 3.000 . 4.100 2.933 2.904 2.949 . 0 0 "[ . 1]" 1
563 1 4 THR H 1 4 THR HB 2.800 . 3.800 2.809 2.586 2.955 . 0 0 "[ . 1]" 1
564 1 4 THR H 1 7 GLN QG 3.500 . 5.000 3.404 2.917 3.860 . 0 0 "[ . 1]" 1
565 1 4 THR H 1 7 GLN QB 3.300 . 4.700 3.431 2.924 4.104 . 0 0 "[ . 1]" 1
566 1 3 LEU QD 1 4 THR H 4.600 . 4.900 3.349 3.128 3.502 . 0 0 "[ . 1]" 1
567 1 3 LEU HB3 1 4 THR H 2.400 . 3.100 3.008 2.456 3.142 0.042 4 0 "[ . 1]" 1
568 1 3 LEU HB2 1 4 THR H 3.700 . 5.400 4.047 3.618 4.206 . 0 0 "[ . 1]" 1
569 1 7 GLN HE21 1 7 GLN QG 2.700 . 3.600 2.675 2.149 2.804 . 0 0 "[ . 1]" 1
570 1 7 GLN HB3 1 7 GLN HE21 4.200 . 6.000 2.688 2.360 3.976 . 0 0 "[ . 1]" 1
571 1 3 LEU HA 1 7 GLN HE21 4.500 . 6.000 3.565 2.521 5.283 . 0 0 "[ . 1]" 1
572 1 3 LEU HA 1 7 GLN HE22 3.900 . 5.800 3.154 2.287 4.004 . 0 0 "[ . 1]" 1
573 1 3 LEU QD 1 7 GLN HE21 4.400 . 6.000 3.822 3.090 5.590 . 0 0 "[ . 1]" 1
574 1 3 LEU QD 1 7 GLN HE22 4.300 . 6.000 3.778 2.828 4.590 . 0 0 "[ . 1]" 1
575 1 7 GLN HE21 1 9 VAL MG1 4.700 . 6.000 3.627 2.824 5.800 . 0 0 "[ . 1]" 1
576 1 7 GLN HE22 1 9 VAL MG1 3.600 . 6.000 4.434 3.663 5.476 . 0 0 "[ . 1]" 1
577 1 5 GLU H 1 6 GLY H 4.200 . 6.000 4.586 4.476 4.638 . 0 0 "[ . 1]" 1
578 1 4 THR H 1 5 GLU H 3.900 . 5.800 4.380 4.323 4.473 . 0 0 "[ . 1]" 1
579 1 4 THR HA 1 5 GLU H 2.000 . 2.500 2.279 2.238 2.354 . 0 0 "[ . 1]" 1
580 1 4 THR HB 1 5 GLU H 2.900 . 4.000 3.811 3.601 3.943 . 0 0 "[ . 1]" 1
581 1 5 GLU H 1 5 GLU HA 2.600 . 3.400 2.843 2.826 2.863 . 0 0 "[ . 1]" 1
582 1 52 HIS H 1 52 HIS HB2 3.000 . 4.100 2.468 2.174 2.565 . 0 0 "[ . 1]" 1
583 1 4 THR MG 1 5 GLU H 2.500 . 3.300 2.201 1.971 2.348 . 0 0 "[ . 1]" 1
584 1 5 GLU H 1 5 GLU QG 2.400 . 3.100 1.979 1.771 2.208 . 0 0 "[ . 1]" 1
585 1 5 GLU H 1 5 GLU QB 2.300 . 3.000 2.500 2.388 2.585 . 0 0 "[ . 1]" 1
586 1 5 GLU H 1 23 ILE MG 3.600 . 5.200 3.880 3.458 4.260 . 0 0 "[ . 1]" 1
587 1 6 GLY H 1 6 GLY HA2 2.400 . 3.100 2.353 2.315 2.409 . 0 0 "[ . 1]" 1
588 1 6 GLY H 1 6 GLY HA3 2.800 . 3.800 2.918 2.884 2.946 . 0 0 "[ . 1]" 1
589 1 5 GLU HA 1 6 GLY H 2.100 . 2.700 2.216 2.142 2.290 . 0 0 "[ . 1]" 1
590 1 5 GLU HG3 1 6 GLY H 4.900 . 6.000 4.958 4.843 5.155 . 0 0 "[ . 1]" 1
591 1 5 GLU HG2 1 6 GLY H 4.200 . 6.000 4.413 4.124 4.755 . 0 0 "[ . 1]" 1
592 1 6 GLY H 1 22 LYS QE 4.800 . 6.000 3.728 3.355 4.198 . 0 0 "[ . 1]" 1
593 1 6 GLY H 1 22 LYS HB2 5.200 . 6.000 4.979 4.767 5.207 . 0 0 "[ . 1]" 1
594 1 6 GLY H 1 23 ILE MD 4.600 . 6.000 4.646 4.481 4.893 . 0 0 "[ . 1]" 1
595 1 6 GLY H 1 23 ILE HG13 3.500 . 5.000 3.203 2.836 3.524 . 0 0 "[ . 1]" 1
596 1 6 GLY H 1 22 LYS HG3 4.000 . 6.000 3.879 3.678 4.058 . 0 0 "[ . 1]" 1
597 1 6 GLY HA3 1 7 GLN H 3.100 . 4.300 3.303 3.188 3.430 . 0 0 "[ . 1]" 1
598 1 7 GLN H 1 7 GLN QG 2.600 . 3.500 2.487 2.327 2.707 . 0 0 "[ . 1]" 1
599 1 7 GLN H 1 7 GLN QB 2.200 . 2.800 2.535 2.394 2.663 . 0 0 "[ . 1]" 1
600 1 7 GLN H 1 23 ILE MD 3.300 . 6.000 3.617 3.285 3.881 . 0 0 "[ . 1]" 1
601 1 7 GLN H 1 23 ILE HG13 3.500 . 5.100 3.589 3.304 3.790 . 0 0 "[ . 1]" 1
602 1 6 GLY H 1 7 GLN H 2.500 . 3.300 2.403 2.195 2.559 . 0 0 "[ . 1]" 1
603 1 5 GLU HA 1 7 GLN H 3.000 . 4.100 3.276 3.116 3.489 . 0 0 "[ . 1]" 1
604 1 30 LYS HA 1 31 GLN H 3.200 . 4.500 3.305 3.240 3.429 . 0 0 "[ . 1]" 1
605 1 31 GLN H 1 31 GLN HB3 3.200 . 4.500 4.054 4.019 4.102 . 0 0 "[ . 1]" 1
606 1 6 GLY H 1 23 ILE H 3.600 . 5.300 4.012 3.753 4.172 . 0 0 "[ . 1]" 1
607 1 7 GLN H 1 8 TYR H 4.200 . 6.000 4.533 4.494 4.562 . 0 0 "[ . 1]" 1
608 1 8 TYR H 1 8 TYR QD 2.700 . 6.000 2.431 2.028 2.814 . 0 0 "[ . 1]" 1
609 1 8 TYR H 1 8 TYR QE 4.800 . 6.000 4.549 4.221 4.871 . 0 0 "[ . 1]" 1
610 1 8 TYR H 1 8 TYR HA 2.800 . 3.800 2.917 2.904 2.930 . 0 0 "[ . 1]" 1
611 1 7 GLN HA 1 8 TYR H 2.000 . 2.500 2.251 2.160 2.339 . 0 0 "[ . 1]" 1
612 1 8 TYR H 1 8 TYR HB3 3.000 . 4.200 3.625 3.544 3.662 . 0 0 "[ . 1]" 1
613 1 8 TYR H 1 8 TYR HB2 2.500 . 3.300 2.430 2.268 2.645 . 0 0 "[ . 1]" 1
614 1 7 GLN QG 1 8 TYR H 3.900 . 5.800 4.107 3.956 4.209 . 0 0 "[ . 1]" 1
615 1 7 GLN QB 1 8 TYR H 2.900 . 4.000 2.764 2.531 3.051 . 0 0 "[ . 1]" 1
616 1 8 TYR H 1 22 LYS HD2 4.400 . 6.000 5.607 5.145 6.021 0.021 3 0 "[ . 1]" 1
617 1 8 TYR H 1 9 VAL MG2 4.200 . 6.000 5.185 5.090 5.262 . 0 0 "[ . 1]" 1
618 1 8 TYR H 1 9 VAL H 3.900 . 5.800 4.482 4.443 4.531 . 0 0 "[ . 1]" 1
619 1 8 TYR QD 1 9 VAL H 4.000 . 6.000 4.152 3.909 4.396 . 0 0 "[ . 1]" 1
620 1 8 TYR HA 1 9 VAL H 2.100 . 2.700 2.154 2.121 2.187 . 0 0 "[ . 1]" 1
621 1 8 TYR HB3 1 9 VAL H 3.300 . 4.700 3.211 3.022 3.403 . 0 0 "[ . 1]" 1
622 1 8 TYR HB2 1 9 VAL H 3.800 . 5.600 4.184 4.091 4.276 . 0 0 "[ . 1]" 1
623 1 9 VAL H 1 9 VAL HB 3.800 . 5.600 3.832 3.819 3.855 . 0 0 "[ . 1]" 1
624 1 9 VAL H 1 9 VAL MG2 2.600 . 3.400 2.205 2.155 2.267 . 0 0 "[ . 1]" 1
625 1 9 VAL H 1 35 VAL MG1 4.100 . 6.000 3.976 3.847 4.169 . 0 0 "[ . 1]" 1
626 1 9 VAL H 1 53 ALA MB 3.900 . 5.800 3.703 3.256 4.240 . 0 0 "[ . 1]" 1
627 1 9 VAL H 1 23 ILE HG12 5.200 . 6.000 5.395 5.260 5.575 . 0 0 "[ . 1]" 1
628 1 9 VAL H 1 9 VAL HA 2.700 . 3.600 2.933 2.923 2.941 . 0 0 "[ . 1]" 1
629 1 51 GLN HE21 1 51 GLN QG 3.400 . 4.800 2.250 2.157 2.778 . 0 0 "[ . 1]" 1
630 1 31 GLN HB2 1 31 GLN HE21 3.800 . 5.600 2.675 2.229 2.865 . 0 0 "[ . 1]" 1
631 1 31 GLN HE21 1 31 GLN HG3 3.300 . 4.600 2.550 2.220 3.474 . 0 0 "[ . 1]" 1
632 1 31 GLN HB3 1 31 GLN HE21 4.600 . 6.000 3.929 1.747 4.562 0.253 6 0 "[ . 1]" 1
633 1 40 ASN HB2 1 40 ASN HD21 2.800 . 3.800 2.758 2.218 3.499 . 0 0 "[ . 1]" 1
634 1 40 ASN HB2 1 40 ASN HD22 3.800 . 5.600 3.718 3.481 4.066 . 0 0 "[ . 1]" 1
635 1 10 LEU H 1 10 LEU HA 2.700 . 3.600 2.921 2.903 2.937 . 0 0 "[ . 1]" 1
636 1 9 VAL HA 1 10 LEU H 2.400 . 3.100 2.277 2.239 2.339 . 0 0 "[ . 1]" 1
637 1 9 VAL HB 1 10 LEU H 2.200 . 2.800 2.586 2.370 2.681 . 0 0 "[ . 1]" 1
638 1 10 LEU H 1 10 LEU QB 2.400 . 3.100 2.490 2.417 2.589 . 0 0 "[ . 1]" 1
639 1 10 LEU H 1 10 LEU HG 2.800 . 3.800 2.523 2.318 2.884 . 0 0 "[ . 1]" 1
640 1 9 VAL MG1 1 10 LEU H 3.200 . 6.000 3.603 3.492 3.692 . 0 0 "[ . 1]" 1
641 1 9 VAL MG2 1 10 LEU H 3.500 . 5.100 3.662 3.544 3.775 . 0 0 "[ . 1]" 1
642 1 11 CYS H 1 19 TYR H 3.000 . 4.100 2.724 2.357 2.926 . 0 0 "[ . 1]" 1
643 1 10 LEU HA 1 11 CYS H 2.200 . 2.800 2.138 2.109 2.158 . 0 0 "[ . 1]" 1
644 1 11 CYS H 1 11 CYS HB2 2.800 . 3.800 2.570 2.509 2.815 . 0 0 "[ . 1]" 1
645 1 11 CYS H 1 11 CYS HB3 3.800 . 5.600 3.549 2.470 3.692 . 0 0 "[ . 1]" 1
646 1 10 LEU QB 1 11 CYS H 4.800 . 6.000 3.437 3.421 3.470 . 0 0 "[ . 1]" 1
647 1 10 LEU QB 1 11 CYS H 3.900 . 5.800 3.393 3.376 3.425 . 0 0 "[ . 1]" 1
648 1 10 LEU QD 1 11 CYS H 4.400 . 6.000 3.744 3.516 3.901 . 0 0 "[ . 1]" 1
649 1 11 CYS H 1 18 TYR HB3 4.600 . 6.000 4.127 3.815 4.289 . 0 0 "[ . 1]" 1
650 1 11 CYS H 1 18 TYR HA 4.800 . 6.000 4.348 4.160 4.601 . 0 0 "[ . 1]" 1
651 1 11 CYS H 1 18 TYR QE 4.800 . 6.000 5.977 5.465 6.095 0.095 8 0 "[ . 1]" 1
652 1 12 ARG H 1 18 TYR QE 3.800 . 5.600 4.007 3.611 4.580 . 0 0 "[ . 1]" 1
653 1 11 CYS HA 1 12 ARG H 2.200 . 2.800 2.108 2.087 2.121 . 0 0 "[ . 1]" 1
654 1 12 ARG H 1 49 ASP HA 4.000 . 6.000 3.959 3.782 4.274 . 0 0 "[ . 1]" 1
655 1 12 ARG H 1 50 ILE HA 3.300 . 4.700 3.279 2.925 3.537 . 0 0 "[ . 1]" 1
656 1 12 ARG H 1 12 ARG HB2 2.800 . 3.800 2.657 2.588 2.741 . 0 0 "[ . 1]" 1
657 1 12 ARG H 1 12 ARG HB3 2.400 . 3.100 2.432 2.369 2.551 . 0 0 "[ . 1]" 1
658 1 12 ARG H 1 12 ARG HG2 4.200 . 6.000 4.392 4.336 4.482 . 0 0 "[ . 1]" 1
659 1 12 ARG H 1 50 ILE HG13 4.400 . 6.000 4.640 4.480 4.942 . 0 0 "[ . 1]" 1
660 1 12 ARG H 1 12 ARG HG3 4.500 . 6.000 4.535 4.504 4.575 . 0 0 "[ . 1]" 1
661 1 12 ARG H 1 50 ILE HG12 4.500 . 6.000 4.314 4.047 4.614 . 0 0 "[ . 1]" 1
662 1 13 TRP H 1 13 TRP HB3 2.900 . 3.900 2.763 2.613 2.907 . 0 0 "[ . 1]" 1
663 1 12 ARG HA 1 13 TRP H 2.200 . 2.800 2.127 2.102 2.161 . 0 0 "[ . 1]" 1
664 1 13 TRP H 1 13 TRP HB2 2.500 . 3.300 2.440 2.264 2.590 . 0 0 "[ . 1]" 1
665 1 12 ARG HB2 1 13 TRP H 4.600 . 6.000 4.289 4.133 4.435 . 0 0 "[ . 1]" 1
666 1 12 ARG HG3 1 13 TRP H 3.200 . 4.500 3.489 3.032 3.827 . 0 0 "[ . 1]" 1
667 1 12 ARG HB3 1 13 TRP H 3.900 . 5.800 4.274 4.020 4.408 . 0 0 "[ . 1]" 1
668 1 12 ARG HG2 1 13 TRP H 3.000 . 4.200 3.301 2.781 3.650 . 0 0 "[ . 1]" 1
669 1 13 TRP H 1 18 TYR HA 3.700 . 5.400 3.312 2.988 3.459 . 0 0 "[ . 1]" 1
670 1 13 TRP HA 1 14 THR H 3.700 . 5.400 2.528 2.393 2.614 . 0 0 "[ . 1]" 1
671 1 14 THR H 1 14 THR HB 4.400 . 6.000 2.790 2.344 3.560 . 0 0 "[ . 1]" 1
672 1 14 THR H 1 14 THR MG 3.900 . 5.800 3.213 2.218 3.735 . 0 0 "[ . 1]" 1
673 1 34 LEU HB2 1 44 TRP HE1 3.900 . 5.800 3.993 3.506 4.265 . 0 0 "[ . 1]" 1
674 1 34 LEU HG 1 44 TRP HE1 3.600 . 6.000 5.384 4.041 5.711 . 0 0 "[ . 1]" 1
675 1 44 TRP H 1 44 TRP HE1 5.100 . 6.000 5.088 4.986 5.225 . 0 0 "[ . 1]" 1
676 1 14 THR H 1 15 ASP H 2.800 . 3.700 2.679 2.625 2.748 . 0 0 "[ . 1]" 1
677 1 14 THR HA 1 15 ASP H 3.100 . 4.300 3.381 3.283 3.450 . 0 0 "[ . 1]" 1
678 1 14 THR MG 1 15 ASP H 3.800 . 5.600 3.834 2.616 4.367 . 0 0 "[ . 1]" 1
679 1 14 THR HB 1 15 ASP H 3.000 . 4.100 3.579 3.061 4.137 0.037 10 0 "[ . 1]" 1
680 1 15 ASP H 1 15 ASP HA 2.800 . 3.800 2.879 2.863 2.902 . 0 0 "[ . 1]" 1
681 1 15 ASP H 1 15 ASP HB3 3.500 . 5.000 3.407 2.549 3.634 . 0 0 "[ . 1]" 1
682 1 15 ASP H 1 15 ASP HB2 2.600 . 3.400 2.456 2.351 2.614 . 0 0 "[ . 1]" 1
683 1 15 ASP H 1 16 GLY H 2.300 . 3.000 2.464 2.339 2.577 . 0 0 "[ . 1]" 1
684 1 13 TRP H 1 15 ASP H 4.700 . 6.000 4.342 4.175 4.427 . 0 0 "[ . 1]" 1
685 1 13 TRP HD1 1 15 ASP H 2.700 . 3.600 2.694 2.394 3.152 . 0 0 "[ . 1]" 1
686 1 13 TRP HA 1 15 ASP H 4.300 . 6.000 4.114 3.943 4.291 . 0 0 "[ . 1]" 1
687 1 15 ASP H 1 16 GLY HA3 4.700 . 6.000 5.127 5.039 5.213 . 0 0 "[ . 1]" 1
688 1 13 TRP HE3 1 15 ASP H 2.900 . 6.000 5.971 5.763 6.058 0.058 8 0 "[ . 1]" 1
689 1 16 GLY H 1 16 GLY HA2 2.400 . 3.100 2.343 2.309 2.384 . 0 0 "[ . 1]" 1
690 1 14 THR HB 1 16 GLY H 4.000 . 6.000 5.102 4.885 5.521 . 0 0 "[ . 1]" 1
691 1 14 THR HA 1 16 GLY H 3.200 . 4.400 3.476 3.363 3.610 . 0 0 "[ . 1]" 1
692 1 16 GLY H 1 16 GLY HA3 2.700 . 3.600 2.910 2.872 2.940 . 0 0 "[ . 1]" 1
693 1 15 ASP HB3 1 16 GLY H 3.900 . 5.800 3.980 3.222 4.248 . 0 0 "[ . 1]" 1
694 1 15 ASP HB2 1 16 GLY H 4.000 . 6.000 3.557 3.324 4.151 . 0 0 "[ . 1]" 1
695 1 16 GLY H 1 17 LEU HB2 5.000 . 6.000 4.724 4.608 4.881 . 0 0 "[ . 1]" 1
696 1 13 TRP HA 1 16 GLY H 4.800 . 6.000 4.816 4.708 4.917 . 0 0 "[ . 1]" 1
697 1 14 THR H 1 16 GLY H 4.400 . 6.000 4.243 4.180 4.338 . 0 0 "[ . 1]" 1
698 1 13 TRP HD1 1 16 GLY H 3.300 . 6.000 5.061 4.560 5.538 . 0 0 "[ . 1]" 1
699 1 13 TRP H 1 16 GLY H 4.200 . 6.000 4.051 3.763 4.233 . 0 0 "[ . 1]" 1
700 1 15 ASP HB2 1 17 LEU H 4.200 . 6.000 3.145 2.516 4.469 . 0 0 "[ . 1]" 1
701 1 17 LEU QD 1 18 TYR H 4.000 . 6.000 3.342 3.228 3.449 . 0 0 "[ . 1]" 1
702 1 17 LEU HB3 1 18 TYR H 2.800 . 3.800 2.585 2.294 2.813 . 0 0 "[ . 1]" 1
703 1 17 LEU HG 1 18 TYR H 5.100 . 6.000 4.936 4.825 5.006 . 0 0 "[ . 1]" 1
704 1 17 LEU HB2 1 18 TYR H 3.800 . 5.600 3.711 3.415 3.922 . 0 0 "[ . 1]" 1
705 1 17 LEU HA 1 18 TYR H 2.600 . 3.400 2.341 2.267 2.470 . 0 0 "[ . 1]" 1
706 1 18 TYR H 1 18 TYR HB3 4.100 . 6.000 3.645 3.603 3.660 . 0 0 "[ . 1]" 1
707 1 18 TYR H 1 18 TYR HB2 2.700 . 3.600 2.423 2.372 2.446 . 0 0 "[ . 1]" 1
708 1 18 TYR H 1 18 TYR QE 4.800 . 6.000 4.826 4.690 5.045 . 0 0 "[ . 1]" 1
709 1 18 TYR H 1 18 TYR QD 3.000 . 6.000 2.607 2.460 2.866 . 0 0 "[ . 1]" 1
710 1 12 ARG HB2 1 18 TYR H 4.800 . 6.000 5.663 5.287 5.919 . 0 0 "[ . 1]" 1
711 1 12 ARG HA 1 18 TYR H 5.000 . 6.000 4.440 4.262 4.557 . 0 0 "[ . 1]" 1
712 1 18 TYR H 1 19 TYR H 4.900 . 6.000 4.477 4.444 4.525 . 0 0 "[ . 1]" 1
713 1 18 TYR QD 1 19 TYR H 3.800 . 5.600 3.921 3.691 4.111 . 0 0 "[ . 1]" 1
714 1 19 TYR H 1 19 TYR QD 3.000 . 6.000 2.962 2.747 3.293 . 0 0 "[ . 1]" 1
715 1 18 TYR HA 1 19 TYR H 2.400 . 3.100 2.189 2.131 2.318 . 0 0 "[ . 1]" 1
716 1 10 LEU HA 1 19 TYR H 3.800 . 5.600 3.896 3.508 4.148 . 0 0 "[ . 1]" 1
717 1 12 ARG HA 1 19 TYR H 3.900 . 5.800 3.579 3.438 3.779 . 0 0 "[ . 1]" 1
718 1 11 CYS HB2 1 19 TYR H 3.700 . 5.400 3.671 3.444 4.863 . 0 0 "[ . 1]" 1
719 1 18 TYR HB3 1 19 TYR H 3.100 . 4.300 2.978 2.665 3.117 . 0 0 "[ . 1]" 1
720 1 10 LEU QB 1 19 TYR H 3.700 . 5.400 3.904 3.533 4.170 . 0 0 "[ . 1]" 1
721 1 10 LEU QD 1 19 TYR H 4.300 . 6.000 4.266 3.852 4.620 . 0 0 "[ . 1]" 1
722 1 19 TYR H 1 20 LEU QD 5.200 . 6.000 5.781 5.748 5.820 . 0 0 "[ . 1]" 1
723 1 12 ARG HB2 1 19 TYR H 3.600 . 5.200 5.310 5.243 5.375 0.175 3 0 "[ . 1]" 1
724 1 20 LEU H 1 20 LEU HB3 3.400 . 4.800 2.558 2.459 3.148 . 0 0 "[ . 1]" 1
725 1 20 LEU H 1 20 LEU HG 5.500 . 6.000 4.401 3.858 4.489 . 0 0 "[ . 1]" 1
726 1 20 LEU H 1 20 LEU HB2 3.400 . 4.900 2.610 2.115 2.802 . 0 0 "[ . 1]" 1
727 1 19 TYR HB2 1 20 LEU H 4.800 . 6.000 3.988 3.803 4.126 . 0 0 "[ . 1]" 1
728 1 10 LEU QD 1 20 LEU H 4.900 . 6.000 3.855 3.288 4.517 . 0 0 "[ . 1]" 1
729 1 10 LEU QB 1 19 TYR H 3.800 . 5.600 3.933 3.554 4.204 . 0 0 "[ . 1]" 1
730 1 9 VAL H 1 21 GLY H 2.700 . 3.600 2.977 2.857 3.075 . 0 0 "[ . 1]" 1
731 1 21 GLY H 1 22 LYS H 4.200 . 6.000 4.386 4.360 4.413 . 0 0 "[ . 1]" 1
732 1 21 GLY H 1 37 PHE QE 3.800 . 6.000 4.785 4.399 5.050 . 0 0 "[ . 1]" 1
733 1 8 TYR HA 1 21 GLY H 4.000 . 6.000 4.398 4.271 4.576 . 0 0 "[ . 1]" 1
734 1 20 LEU HA 1 21 GLY H 2.000 . 2.500 2.154 2.126 2.181 . 0 0 "[ . 1]" 1
735 1 21 GLY H 1 21 GLY HA2 2.800 . 3.800 2.903 2.884 2.927 . 0 0 "[ . 1]" 1
736 1 21 GLY H 1 21 GLY HA3 2.600 . 3.400 2.673 2.630 2.707 . 0 0 "[ . 1]" 1
737 1 20 LEU HB2 1 21 GLY H 4.100 . 6.000 4.225 4.110 4.416 . 0 0 "[ . 1]" 1
738 1 20 LEU HG 1 21 GLY H 3.200 . 4.400 3.147 2.851 4.203 . 0 0 "[ . 1]" 1
739 1 20 LEU HB3 1 21 GLY H 3.800 . 5.600 4.088 3.596 4.252 . 0 0 "[ . 1]" 1
740 1 20 LEU QD 1 21 GLY H 2.700 . 3.600 2.223 2.055 2.438 . 0 0 "[ . 1]" 1
741 1 9 VAL MG2 1 21 GLY H 3.300 . 6.000 3.538 3.362 3.685 . 0 0 "[ . 1]" 1
742 1 21 GLY H 1 35 VAL MG1 4.000 . 6.000 3.647 3.528 3.754 . 0 0 "[ . 1]" 1
743 1 21 GLY H 1 37 PHE QD 4.200 . 6.000 4.224 3.752 4.477 . 0 0 "[ . 1]" 1
744 1 10 LEU H 1 21 GLY H 4.100 . 6.000 5.116 4.978 5.237 . 0 0 "[ . 1]" 1
745 1 8 TYR HB2 1 21 GLY H 3.400 . 6.000 6.002 5.735 6.051 0.051 2 0 "[ . 1]" 1
746 1 9 VAL HB 1 21 GLY H 4.800 . 6.000 5.411 5.241 5.505 . 0 0 "[ . 1]" 1
747 1 8 TYR HA 1 22 LYS H 4.700 . 6.000 4.712 4.669 4.734 . 0 0 "[ . 1]" 1
748 1 22 LYS H 1 37 PHE HA 3.500 . 5.000 3.384 3.098 3.608 . 0 0 "[ . 1]" 1
749 1 22 LYS H 1 35 VAL HA 4.200 . 6.000 4.403 4.305 4.657 . 0 0 "[ . 1]" 1
750 1 22 LYS H 1 36 THR HB 3.400 . 4.800 3.328 2.969 3.684 . 0 0 "[ . 1]" 1
751 1 21 GLY HA3 1 22 LYS H 2.600 . 3.500 2.700 2.650 2.758 . 0 0 "[ . 1]" 1
752 1 22 LYS H 1 35 VAL HB 5.000 . 6.000 5.384 5.166 5.707 . 0 0 "[ . 1]" 1
753 1 22 LYS H 1 22 LYS HB2 2.900 . 4.000 3.011 2.948 3.073 . 0 0 "[ . 1]" 1
754 1 22 LYS H 1 22 LYS HB3 2.600 . 3.400 2.482 2.392 2.546 . 0 0 "[ . 1]" 1
755 1 22 LYS H 1 22 LYS HG3 4.600 . 6.000 4.587 4.549 4.619 . 0 0 "[ . 1]" 1
756 1 22 LYS H 1 35 VAL MG1 2.700 . 3.600 2.703 2.493 3.063 . 0 0 "[ . 1]" 1
757 1 22 LYS H 1 37 PHE QD 5.000 . 6.000 5.217 4.868 5.432 . 0 0 "[ . 1]" 1
758 1 8 TYR QE 1 22 LYS H 4.800 . 6.000 5.302 4.698 5.819 . 0 0 "[ . 1]" 1
759 1 22 LYS H 1 23 ILE H 4.300 . 6.000 4.377 4.326 4.412 . 0 0 "[ . 1]" 1
760 1 9 VAL H 1 22 LYS H 4.700 . 6.000 4.863 4.789 4.905 . 0 0 "[ . 1]" 1
761 1 7 GLN H 1 23 ILE H 3.400 . 4.800 3.504 3.178 3.822 . 0 0 "[ . 1]" 1
762 1 23 ILE H 1 24 LYS H 4.500 . 6.000 4.437 4.400 4.511 . 0 0 "[ . 1]" 1
763 1 9 VAL H 1 23 ILE H 4.100 . 6.000 4.064 3.984 4.135 . 0 0 "[ . 1]" 1
764 1 8 TYR HA 1 23 ILE H 3.300 . 4.600 3.407 3.177 3.545 . 0 0 "[ . 1]" 1
765 1 22 LYS HA 1 23 ILE H 2.000 . 2.500 2.146 2.137 2.170 . 0 0 "[ . 1]" 1
766 1 23 ILE H 1 23 ILE HA 2.700 . 3.600 2.829 2.806 2.855 . 0 0 "[ . 1]" 1
767 1 5 GLU HA 1 23 ILE H 4.400 . 6.000 4.922 4.632 5.278 . 0 0 "[ . 1]" 1
768 1 23 ILE H 1 23 ILE HB 2.300 . 3.000 2.526 2.459 2.581 . 0 0 "[ . 1]" 1
769 1 23 ILE H 1 23 ILE HG12 3.100 . 4.300 3.403 3.310 3.516 . 0 0 "[ . 1]" 1
770 1 22 LYS HB2 1 23 ILE H 3.900 . 5.800 4.081 4.012 4.117 . 0 0 "[ . 1]" 1
771 1 22 LYS HB3 1 23 ILE H 4.000 . 6.000 4.284 4.251 4.320 . 0 0 "[ . 1]" 1
772 1 23 ILE H 1 23 ILE MD 3.700 . 5.400 3.624 3.589 3.657 . 0 0 "[ . 1]" 1
773 1 22 LYS HG3 1 23 ILE H 2.800 . 3.800 2.904 2.784 2.979 . 0 0 "[ . 1]" 1
774 1 23 ILE H 1 35 VAL MG1 4.000 . 6.000 3.631 3.424 3.796 . 0 0 "[ . 1]" 1
775 1 22 LYS QE 1 23 ILE H 3.600 . 5.200 4.804 4.664 4.993 . 0 0 "[ . 1]" 1
776 1 8 TYR QD 1 23 ILE H 3.800 . 6.000 5.306 5.013 5.538 . 0 0 "[ . 1]" 1
777 1 7 GLN HB3 1 23 ILE H 4.400 . 6.000 5.197 4.932 5.363 . 0 0 "[ . 1]" 1
778 1 24 LYS H 1 34 LEU H 4.300 . 6.000 4.492 4.384 4.637 . 0 0 "[ . 1]" 1
779 1 24 LYS H 1 36 THR H 4.000 . 6.000 3.538 3.283 3.754 . 0 0 "[ . 1]" 1
780 1 23 ILE HA 1 24 LYS H 2.100 . 2.700 2.136 2.118 2.162 . 0 0 "[ . 1]" 1
781 1 23 ILE HB 1 24 LYS H 4.500 . 6.000 4.317 4.227 4.393 . 0 0 "[ . 1]" 1
782 1 23 ILE HG12 1 24 LYS H 4.600 . 6.000 4.472 4.392 4.545 . 0 0 "[ . 1]" 1
783 1 24 LYS H 1 24 LYS QG 3.700 . 5.400 3.618 2.414 4.090 . 0 0 "[ . 1]" 1
784 1 24 LYS H 1 34 LEU HB2 4.700 . 6.000 5.431 5.215 5.629 . 0 0 "[ . 1]" 1
785 1 24 LYS H 1 35 VAL MG1 4.800 . 6.000 4.348 4.173 4.570 . 0 0 "[ . 1]" 1
786 1 24 LYS H 1 24 LYS QB 2.500 . 3.300 2.367 2.293 2.481 . 0 0 "[ . 1]" 1
787 1 24 LYS H 1 34 LEU QD 4.800 . 6.000 4.208 3.115 4.560 . 0 0 "[ . 1]" 1
788 1 25 ARG H 1 34 LEU H 2.800 . 3.800 3.192 3.046 3.368 . 0 0 "[ . 1]" 1
789 1 24 LYS H 1 25 ARG H 2.200 . 2.800 2.206 2.103 2.301 . 0 0 "[ . 1]" 1
790 1 25 ARG H 1 25 ARG HA 2.600 . 3.400 2.920 2.882 2.947 . 0 0 "[ . 1]" 1
791 1 24 LYS HA 1 25 ARG H 3.100 . 4.300 3.516 3.471 3.556 . 0 0 "[ . 1]" 1
792 1 23 ILE HA 1 25 ARG H 3.600 . 5.200 3.756 3.563 4.073 . 0 0 "[ . 1]" 1
793 1 25 ARG H 1 25 ARG HB2 2.800 . 3.800 3.103 2.534 3.354 . 0 0 "[ . 1]" 1
794 1 24 LYS QB 1 25 ARG H 2.500 . 3.300 2.592 2.327 2.893 . 0 0 "[ . 1]" 1
795 1 24 LYS QG 1 25 ARG H 3.800 . 5.600 3.853 3.583 4.171 . 0 0 "[ . 1]" 1
796 1 25 ARG H 1 34 LEU HB2 3.500 . 5.000 4.174 3.756 4.509 . 0 0 "[ . 1]" 1
797 1 25 ARG H 1 34 LEU QD 3.800 . 5.600 3.586 3.020 3.982 . 0 0 "[ . 1]" 1
798 1 25 ARG H 1 34 LEU HB3 2.700 . 3.600 2.508 2.141 2.871 . 0 0 "[ . 1]" 1
799 1 24 LYS QE 1 25 ARG H 4.500 . 6.000 5.241 5.043 5.345 . 0 0 "[ . 1]" 1
800 1 5 GLU HA 1 25 ARG H 4.500 . 6.000 4.973 4.734 5.306 . 0 0 "[ . 1]" 1
801 1 5 GLU QG 1 25 ARG H 4.400 . 6.000 4.084 3.525 4.950 . 0 0 "[ . 1]" 1
802 1 25 ARG H 1 33 CYS HA 4.600 . 6.000 4.856 4.626 5.095 . 0 0 "[ . 1]" 1
803 1 25 ARG H 1 44 TRP HZ3 4.800 . 6.000 5.876 5.556 6.018 0.018 9 0 "[ . 1]" 1
804 1 25 ARG H 1 26 VAL H 4.000 . 6.000 4.284 4.143 4.446 . 0 0 "[ . 1]" 1
805 1 25 ARG H 1 36 THR H 5.500 . 6.000 5.560 5.311 5.772 . 0 0 "[ . 1]" 1
806 1 25 ARG H 1 34 LEU HA 4.300 . 6.000 4.727 4.562 4.907 . 0 0 "[ . 1]" 1
807 1 25 ARG HA 1 26 VAL H 2.200 . 2.800 2.223 2.161 2.316 . 0 0 "[ . 1]" 1
808 1 26 VAL H 1 26 VAL HA 3.000 . 4.100 2.946 2.940 2.953 . 0 0 "[ . 1]" 1
809 1 25 ARG QD 1 26 VAL H 5.300 . 6.000 4.664 4.342 4.860 . 0 0 "[ . 1]" 1
810 1 26 VAL H 1 26 VAL HB 2.600 . 3.400 2.985 2.497 3.243 . 0 0 "[ . 1]" 1
811 1 25 ARG QB 1 26 VAL H 3.000 . 4.200 2.867 2.610 3.054 . 0 0 "[ . 1]" 1
812 1 26 VAL H 1 26 VAL QG 3.800 . 3.800 2.189 1.995 2.647 0.005 7 0 "[ . 1]" 1
813 1 23 ILE MG 1 26 VAL H 3.900 . 5.800 3.927 3.577 4.220 . 0 0 "[ . 1]" 1
814 1 26 VAL H 1 34 LEU H 4.700 . 6.000 4.792 4.539 4.942 . 0 0 "[ . 1]" 1
815 1 26 VAL H 1 44 TRP HZ3 4.900 . 6.000 5.282 4.491 5.681 . 0 0 "[ . 1]" 1
816 1 26 VAL HA 1 27 SER H 2.300 . 3.000 2.174 2.149 2.220 . 0 0 "[ . 1]" 1
817 1 26 VAL HB 1 27 SER H 4.600 . 6.000 4.160 4.095 4.294 . 0 0 "[ . 1]" 1
818 1 26 VAL QG 1 27 SER H 2.900 . 4.000 2.548 2.378 2.748 . 0 0 "[ . 1]" 1
819 1 27 SER H 1 27 SER HA 3.000 . 4.200 2.939 2.928 2.945 . 0 0 "[ . 1]" 1
820 1 27 SER H 1 27 SER QB 2.700 . 3.600 2.605 2.402 3.041 . 0 0 "[ . 1]" 1
821 1 27 SER H 1 33 CYS HA 3.100 . 4.300 2.778 2.518 3.096 . 0 0 "[ . 1]" 1
822 1 27 SER H 1 44 TRP HZ3 3.300 . 4.600 3.089 2.875 3.294 . 0 0 "[ . 1]" 1
823 1 27 SER H 1 44 TRP HH2 4.800 . 6.000 4.966 4.672 5.230 . 0 0 "[ . 1]" 1
824 1 27 SER H 1 34 LEU H 4.800 . 6.000 4.353 4.003 4.626 . 0 0 "[ . 1]" 1
825 1 26 VAL H 1 27 SER H 4.900 . 6.000 4.405 4.293 4.512 . 0 0 "[ . 1]" 1
826 1 29 SER HA 1 30 LYS H 3.700 . 5.400 3.494 3.379 3.550 . 0 0 "[ . 1]" 1
827 1 29 SER QB 1 30 LYS H 3.300 . 4.700 2.890 2.545 3.453 . 0 0 "[ . 1]" 1
828 1 32 SER H 1 33 CYS H 4.600 . 6.000 4.381 4.335 4.417 . 0 0 "[ . 1]" 1
829 1 27 SER H 1 32 SER H 3.400 . 4.800 3.634 3.315 3.847 . 0 0 "[ . 1]" 1
830 1 32 SER H 1 32 SER HA 3.000 . 4.200 2.914 2.897 2.928 . 0 0 "[ . 1]" 1
831 1 28 SER HA 1 32 SER H 3.900 . 5.800 4.324 3.934 4.715 . 0 0 "[ . 1]" 1
832 1 32 SER H 1 32 SER QB 3.300 . 4.700 2.957 2.617 3.284 . 0 0 "[ . 1]" 1
833 1 31 GLN HB2 1 32 SER H 4.000 . 6.000 3.887 3.793 3.959 . 0 0 "[ . 1]" 1
834 1 31 GLN HB3 1 32 SER H 4.300 . 6.000 4.408 4.321 4.446 . 0 0 "[ . 1]" 1
835 1 26 VAL QG 1 32 SER H 3.800 . 6.000 4.498 4.283 4.767 . 0 0 "[ . 1]" 1
836 1 32 SER H 1 46 LEU QD 4.000 . 6.000 4.474 4.044 5.516 . 0 0 "[ . 1]" 1
837 1 32 SER H 1 47 TRP HD1 4.200 . 6.000 4.527 4.352 4.883 . 0 0 "[ . 1]" 1
838 1 33 CYS H 1 44 TRP HE3 3.700 . 5.400 3.485 3.091 3.812 . 0 0 "[ . 1]" 1
839 1 33 CYS H 1 47 TRP HD1 3.800 . 5.600 3.502 3.269 3.733 . 0 0 "[ . 1]" 1
840 1 32 SER QB 1 33 CYS H 3.000 . 4.100 2.860 2.352 3.541 . 0 0 "[ . 1]" 1
841 1 33 CYS H 1 33 CYS HB2 3.500 . 5.000 2.787 2.577 3.273 . 0 0 "[ . 1]" 1
842 1 33 CYS H 1 33 CYS HB3 3.500 . 5.000 3.582 2.685 3.838 . 0 0 "[ . 1]" 1
843 1 33 CYS H 1 45 VAL HB 4.000 . 6.000 3.922 3.769 4.073 . 0 0 "[ . 1]" 1
844 1 33 CYS H 1 45 VAL QG 4.500 . 6.000 4.192 4.099 4.282 . 0 0 "[ . 1]" 1
845 1 33 CYS H 1 50 ILE MD 3.400 . 4.800 2.804 2.663 3.106 . 0 0 "[ . 1]" 1
846 1 33 CYS H 1 35 VAL MG2 4.100 . 6.000 4.043 3.801 4.316 . 0 0 "[ . 1]" 1
847 1 33 CYS HA 1 34 LEU H 2.200 . 2.800 2.177 2.148 2.233 . 0 0 "[ . 1]" 1
848 1 33 CYS HB2 1 34 LEU H 3.500 . 5.000 4.046 3.916 4.141 . 0 0 "[ . 1]" 1
849 1 33 CYS HB3 1 34 LEU H 3.400 . 4.800 3.221 2.839 4.116 . 0 0 "[ . 1]" 1
850 1 34 LEU H 1 34 LEU HA 2.800 . 3.800 2.893 2.884 2.913 . 0 0 "[ . 1]" 1
851 1 34 LEU H 1 34 LEU HB2 2.500 . 3.300 2.677 2.567 2.754 . 0 0 "[ . 1]" 1
852 1 34 LEU H 1 34 LEU HG 3.500 . 5.100 4.435 4.372 4.656 . 0 0 "[ . 1]" 1
853 1 34 LEU H 1 34 LEU QD 4.400 . 6.000 3.757 3.676 3.792 . 0 0 "[ . 1]" 1
854 1 34 LEU H 1 34 LEU HB3 2.500 . 3.300 2.441 2.389 2.550 . 0 0 "[ . 1]" 1
855 1 26 VAL QG 1 34 LEU H 3.100 . 6.000 4.633 4.109 4.867 . 0 0 "[ . 1]" 1
856 1 25 ARG QB 1 34 LEU H 3.200 . 4.500 3.128 2.790 3.685 . 0 0 "[ . 1]" 1
857 1 26 VAL HA 1 34 LEU H 3.400 . 4.900 3.385 3.015 3.673 . 0 0 "[ . 1]" 1
858 1 34 LEU H 1 44 TRP HA 4.400 . 6.000 4.349 4.250 4.591 . 0 0 "[ . 1]" 1
859 1 34 LEU H 1 44 TRP HZ3 3.300 . 4.700 3.244 3.083 3.389 . 0 0 "[ . 1]" 1
860 1 34 LEU H 1 44 TRP HE3 3.900 . 5.800 3.626 3.485 3.749 . 0 0 "[ . 1]" 1
861 1 33 CYS H 1 34 LEU H 4.100 . 6.000 4.359 4.262 4.451 . 0 0 "[ . 1]" 1
862 1 34 LEU HA 1 35 VAL H 2.200 . 2.800 2.138 2.126 2.150 . 0 0 "[ . 1]" 1
863 1 34 LEU QD 1 35 VAL H . . 4.300 2.789 2.497 2.908 . 0 0 "[ . 1]" 1
864 1 35 VAL H 1 35 VAL MG1 4.400 . 6.000 3.824 3.807 3.837 . 0 0 "[ . 1]" 1
865 1 34 LEU HB2 1 35 VAL H 5.000 . 6.000 4.398 4.365 4.456 . 0 0 "[ . 1]" 1
866 1 35 VAL H 1 45 VAL QG 3.400 . 6.000 3.613 3.444 3.936 . 0 0 "[ . 1]" 1
867 1 35 VAL H 1 35 VAL HB 2.700 . 3.600 2.574 2.533 2.611 . 0 0 "[ . 1]" 1
868 1 35 VAL H 1 35 VAL HA 3.000 . 4.100 2.942 2.937 2.947 . 0 0 "[ . 1]" 1
869 1 35 VAL H 1 44 TRP HA 3.500 . 5.100 3.379 3.154 3.545 . 0 0 "[ . 1]" 1
870 1 35 VAL H 1 42 LYS HA 4.400 . 6.000 4.317 4.165 4.488 . 0 0 "[ . 1]" 1
871 1 35 VAL H 1 37 PHE QE 4.200 . 6.000 4.684 4.129 5.045 . 0 0 "[ . 1]" 1
872 1 35 VAL H 1 45 VAL H 4.300 . 6.000 3.772 3.624 4.178 . 0 0 "[ . 1]" 1
873 1 36 THR H 1 36 THR HA 3.000 . 4.100 2.940 2.929 2.946 . 0 0 "[ . 1]" 1
874 1 35 VAL HA 1 36 THR H 2.200 . 2.800 2.168 2.147 2.192 . 0 0 "[ . 1]" 1
875 1 36 THR H 1 36 THR HB 2.700 . 3.600 2.621 2.563 2.687 . 0 0 "[ . 1]" 1
876 1 23 ILE HA 1 36 THR H 3.800 . 5.600 3.658 3.517 3.947 . 0 0 "[ . 1]" 1
877 1 21 GLY HA3 1 36 THR H 4.900 . 6.000 4.377 4.120 4.594 . 0 0 "[ . 1]" 1
878 1 35 VAL HB 1 36 THR H 4.000 . 6.000 4.105 4.063 4.170 . 0 0 "[ . 1]" 1
879 1 24 LYS QB 1 36 THR H 3.700 . 5.400 3.713 3.154 4.590 . 0 0 "[ . 1]" 1
880 1 35 VAL MG1 1 36 THR H 2.700 . 3.600 2.570 2.486 2.661 . 0 0 "[ . 1]" 1
881 1 22 LYS HG3 1 36 THR H 3.700 . 5.400 5.512 5.490 5.545 0.145 10 0 "[ . 1]" 1
882 1 36 THR H 1 37 PHE H 4.300 . 6.000 4.214 4.129 4.269 . 0 0 "[ . 1]" 1
883 1 35 VAL H 1 36 THR H 4.600 . 6.000 4.450 4.396 4.492 . 0 0 "[ . 1]" 1
884 1 37 PHE H 1 38 GLU H 5.400 . 6.000 4.562 4.516 4.612 . 0 0 "[ . 1]" 1
885 1 37 PHE H 1 37 PHE QD 2.700 . 3.600 2.391 2.214 2.635 . 0 0 "[ . 1]" 1
886 1 37 PHE H 1 37 PHE QE 4.700 . 6.000 4.292 4.173 4.439 . 0 0 "[ . 1]" 1
887 1 37 PHE H 1 42 LYS HA 3.400 . 4.900 3.439 3.164 3.666 . 0 0 "[ . 1]" 1
888 1 36 THR HA 1 37 PHE H 2.200 . 2.800 2.160 2.136 2.198 . 0 0 "[ . 1]" 1
889 1 37 PHE H 1 37 PHE HA 2.900 . 4.000 2.862 2.839 2.890 . 0 0 "[ . 1]" 1
890 1 36 THR HB 1 37 PHE H 3.900 . 5.800 4.331 4.270 4.392 . 0 0 "[ . 1]" 1
891 1 37 PHE H 1 37 PHE HB2 2.700 . 3.600 2.452 2.420 2.498 . 0 0 "[ . 1]" 1
892 1 37 PHE H 1 37 PHE HB3 3.300 . 4.700 3.601 3.584 3.613 . 0 0 "[ . 1]" 1
893 1 36 THR MG 1 37 PHE H 3.100 . 4.300 3.178 3.080 3.350 . 0 0 "[ . 1]" 1
894 1 35 VAL MG2 1 37 PHE H 5.300 . 6.000 5.932 5.724 6.022 0.022 9 0 "[ . 1]" 1
895 1 35 VAL MG1 1 37 PHE H 4.100 . 6.000 3.593 3.408 3.698 . 0 0 "[ . 1]" 1
896 1 37 PHE QD 1 38 GLU H 4.500 . 6.000 3.584 3.463 3.735 . 0 0 "[ . 1]" 1
897 1 37 PHE HA 1 38 GLU H 3.000 . 4.200 2.524 2.445 2.636 . 0 0 "[ . 1]" 1
898 1 37 PHE HB2 1 38 GLU H 3.900 . 5.800 3.383 3.244 3.531 . 0 0 "[ . 1]" 1
899 1 37 PHE HB3 1 38 GLU H 3.000 . 4.100 2.161 2.001 2.379 . 0 0 "[ . 1]" 1
900 1 38 GLU H 1 38 GLU HG3 3.300 . 4.600 2.627 1.983 4.499 0.017 1 0 "[ . 1]" 1
901 1 38 GLU H 1 38 GLU HG2 4.200 . 6.000 3.103 2.084 4.594 . 0 0 "[ . 1]" 1
902 1 38 GLU H 1 38 GLU QB 3.200 . 4.500 2.474 2.226 2.559 . 0 0 "[ . 1]" 1
903 1 38 GLU H 1 39 ASP H 2.900 . 4.000 2.630 2.531 2.750 . 0 0 "[ . 1]" 1
904 1 37 PHE H 1 39 ASP H 4.900 . 6.000 4.541 4.383 4.710 . 0 0 "[ . 1]" 1
905 1 39 ASP H 1 40 ASN H 2.500 . 3.300 2.525 2.427 2.669 . 0 0 "[ . 1]" 1
906 1 37 PHE QD 1 39 ASP H 4.900 . 6.000 4.565 4.348 4.794 . 0 0 "[ . 1]" 1
907 1 37 PHE HA 1 39 ASP H 4.300 . 6.000 4.140 3.913 4.393 . 0 0 "[ . 1]" 1
908 1 39 ASP H 1 39 ASP HA 2.800 . 3.800 2.885 2.867 2.917 . 0 0 "[ . 1]" 1
909 1 39 ASP H 1 40 ASN HA 4.200 . 6.000 4.724 4.647 4.783 . 0 0 "[ . 1]" 1
910 1 38 GLU HA 1 39 ASP H 3.200 . 4.500 3.427 3.371 3.493 . 0 0 "[ . 1]" 1
911 1 37 PHE HB2 1 39 ASP H 3.000 . 4.100 2.764 2.556 3.002 . 0 0 "[ . 1]" 1
912 1 38 GLU HG3 1 39 ASP H 4.500 . 6.000 4.487 4.200 5.336 . 0 0 "[ . 1]" 1
913 1 39 ASP H 1 39 ASP HB3 2.800 . 3.800 2.503 2.390 2.696 . 0 0 "[ . 1]" 1
914 1 38 GLU QB 1 39 ASP H 3.200 . 4.500 2.931 2.743 3.079 . 0 0 "[ . 1]" 1
915 1 39 ASP H 2 5 VAL QG 4.600 . 6.000 5.042 3.396 6.012 0.012 5 0 "[ . 1]" 1
916 1 38 GLU H 1 40 ASN H 4.400 . 6.000 4.091 3.959 4.281 . 0 0 "[ . 1]" 1
917 1 39 ASP HA 1 40 ASN H 3.000 . 4.100 3.205 2.992 3.275 . 0 0 "[ . 1]" 1
918 1 40 ASN H 1 40 ASN HA 2.000 . 2.500 2.262 2.237 2.269 . 0 0 "[ . 1]" 1
919 1 37 PHE HB2 1 40 ASN H 4.000 . 6.000 3.720 3.371 4.166 . 0 0 "[ . 1]" 1
920 1 39 ASP HB3 1 40 ASN H 3.800 . 5.600 3.711 3.435 4.467 . 0 0 "[ . 1]" 1
921 1 36 THR MG 1 40 ASN H 3.300 . 4.600 3.600 3.280 3.892 . 0 0 "[ . 1]" 1
922 1 37 PHE HA 1 40 ASN H 3.500 . 6.000 4.700 4.545 4.942 . 0 0 "[ . 1]" 1
923 1 37 PHE QD 1 40 ASN H 5.300 . 6.000 5.309 5.025 5.707 . 0 0 "[ . 1]" 1
924 1 37 PHE H 1 41 SER H 3.400 . 4.900 3.810 3.281 4.723 . 0 0 "[ . 1]" 1
925 1 40 ASN H 1 41 SER H 2.600 . 3.500 2.723 2.470 3.112 . 0 0 "[ . 1]" 1
926 1 37 PHE QD 1 41 SER H 4.000 . 6.000 4.278 3.954 5.031 . 0 0 "[ . 1]" 1
927 1 41 SER H 1 43 TYR QE 4.400 . 6.000 4.996 4.454 5.369 . 0 0 "[ . 1]" 1
928 1 40 ASN HA 1 41 SER H 2.600 . 3.500 3.223 3.009 3.486 . 0 0 "[ . 1]" 1
929 1 41 SER H 1 41 SER HB2 2.800 . 3.800 3.039 2.516 3.600 . 0 0 "[ . 1]" 1
930 1 39 ASP HB3 1 41 SER H 3.800 . 5.600 3.206 2.653 4.751 . 0 0 "[ . 1]" 1
931 1 36 THR MG 1 41 SER H 3.700 . 5.400 4.032 3.548 4.849 . 0 0 "[ . 1]" 1
932 1 40 ASN HD21 1 41 SER H 4.500 . 6.000 5.250 4.374 5.791 . 0 0 "[ . 1]" 1
933 1 37 PHE QD 1 42 LYS H 4.000 . 6.000 4.937 4.627 5.420 . 0 0 "[ . 1]" 1
934 1 42 LYS H 1 43 TYR QD 3.900 . 5.800 4.599 4.148 4.905 . 0 0 "[ . 1]" 1
935 1 42 LYS H 1 43 TYR QE 4.000 . 6.000 4.687 4.432 4.983 . 0 0 "[ . 1]" 1
936 1 42 LYS H 1 42 LYS HA 2.900 . 3.900 2.942 2.928 2.950 . 0 0 "[ . 1]" 1
937 1 41 SER HA 1 42 LYS H 3.700 . 5.400 2.193 2.166 2.225 . 0 0 "[ . 1]" 1
938 1 40 ASN HA 1 42 LYS H 2.000 . 6.000 5.949 5.824 6.012 0.012 7 0 "[ . 1]" 1
939 1 41 SER HB2 1 42 LYS H 2.800 . 3.800 3.568 3.045 4.070 0.270 3 0 "[ . 1]" 1
940 1 42 LYS H 1 42 LYS HB2 2.700 . 3.600 2.291 2.197 2.368 . 0 0 "[ . 1]" 1
941 1 42 LYS H 1 42 LYS HE2 5.100 . 6.000 4.889 3.714 6.190 0.190 4 0 "[ . 1]" 1
942 1 35 VAL H 1 43 TYR H 2.800 . 3.800 2.840 2.694 2.974 . 0 0 "[ . 1]" 1
943 1 43 TYR H 1 44 TRP H 4.300 . 6.000 4.374 4.316 4.418 . 0 0 "[ . 1]" 1
944 1 42 LYS H 1 43 TYR H 4.200 . 6.000 4.437 4.406 4.474 . 0 0 "[ . 1]" 1
945 1 37 PHE QD 1 43 TYR H 3.400 . 4.900 3.881 3.225 4.219 . 0 0 "[ . 1]" 1
946 1 43 TYR H 1 43 TYR QD 3.200 . 6.000 3.476 3.172 3.694 . 0 0 "[ . 1]" 1
947 1 42 LYS HA 1 43 TYR H 2.100 . 2.600 2.162 2.133 2.187 . 0 0 "[ . 1]" 1
948 1 34 LEU HA 1 43 TYR H 3.700 . 5.400 4.092 3.886 4.368 . 0 0 "[ . 1]" 1
949 1 43 TYR H 1 43 TYR HB3 3.500 . 5.000 3.836 3.787 3.873 . 0 0 "[ . 1]" 1
950 1 35 VAL HB 1 43 TYR H 3.500 . 5.000 3.658 3.522 3.810 . 0 0 "[ . 1]" 1
951 1 42 LYS HB2 1 43 TYR H 3.200 . 4.500 3.803 3.740 3.860 . 0 0 "[ . 1]" 1
952 1 34 LEU QD 1 43 TYR H 3.000 . 4.100 2.880 2.648 3.270 . 0 0 "[ . 1]" 1
953 1 37 PHE QE 1 43 TYR H 3.100 . 4.300 3.203 2.638 3.561 . 0 0 "[ . 1]" 1
954 1 44 TRP H 1 45 VAL H 4.800 . 6.000 4.305 4.254 4.397 . 0 0 "[ . 1]" 1
955 1 35 VAL H 1 44 TRP H 4.500 . 6.000 4.846 4.756 4.991 . 0 0 "[ . 1]" 1
956 1 44 TRP H 1 44 TRP HD1 3.200 . 4.500 2.798 2.649 2.947 . 0 0 "[ . 1]" 1
957 1 43 TYR QD 1 44 TRP H 3.900 . 5.800 3.586 3.415 3.860 . 0 0 "[ . 1]" 1
958 1 43 TYR QE 1 44 TRP H 3.700 . 6.000 5.796 5.598 6.017 0.017 5 0 "[ . 1]" 1
959 1 34 LEU HA 1 44 TRP H 4.500 . 6.000 4.395 4.229 4.690 . 0 0 "[ . 1]" 1
960 1 44 TRP H 1 44 TRP HB2 2.900 . 3.900 2.401 2.373 2.452 . 0 0 "[ . 1]" 1
961 1 43 TYR HB3 1 44 TRP H 3.100 . 4.300 2.741 2.509 2.929 . 0 0 "[ . 1]" 1
962 1 44 TRP H 1 45 VAL QG 4.300 . 6.000 4.180 3.916 4.295 . 0 0 "[ . 1]" 1
963 1 34 LEU QD 1 44 TRP H 3.700 . 5.400 3.574 3.369 4.128 . 0 0 "[ . 1]" 1
964 1 44 TRP H 1 44 TRP HB3 3.600 . 5.200 3.626 3.602 3.657 . 0 0 "[ . 1]" 1
965 1 45 VAL H 1 46 LEU H 4.200 . 6.000 4.475 4.408 4.521 . 0 0 "[ . 1]" 1
966 1 46 LEU H 1 47 TRP H 4.300 . 6.000 4.616 4.603 4.638 . 0 0 "[ . 1]" 1
967 1 46 LEU H 1 49 ASP H 3.900 . 5.800 4.402 4.211 4.889 . 0 0 "[ . 1]" 1
968 1 46 LEU H 1 46 LEU HA 2.700 . 3.600 2.849 2.808 2.890 . 0 0 "[ . 1]" 1
969 1 45 VAL HA 1 46 LEU H 2.100 . 2.600 2.222 2.163 2.282 . 0 0 "[ . 1]" 1
970 1 46 LEU H 1 49 ASP HB2 3.500 . 5.000 3.544 3.194 4.277 . 0 0 "[ . 1]" 1
971 1 46 LEU H 1 49 ASP HB3 4.200 . 6.000 5.129 4.748 5.899 . 0 0 "[ . 1]" 1
972 1 45 VAL HB 1 46 LEU H 3.600 . 5.300 3.915 3.843 4.060 . 0 0 "[ . 1]" 1
973 1 45 VAL QG 1 46 LEU H 2.500 . 6.000 2.381 2.274 2.591 . 0 0 "[ . 1]" 1
974 1 46 LEU H 1 46 LEU QD 3.300 . 4.600 2.931 2.146 3.227 . 0 0 "[ . 1]" 1
975 1 46 LEU H 1 46 LEU HB2 2.000 . 2.500 2.173 2.087 2.327 . 0 0 "[ . 1]" 1
976 1 47 TRP H 1 47 TRP HD1 3.700 . 5.400 2.856 2.667 3.169 . 0 0 "[ . 1]" 1
977 1 32 SER HA 1 47 TRP H 3.400 . 4.900 2.831 2.597 3.029 . 0 0 "[ . 1]" 1
978 1 31 GLN HA 1 47 TRP H 4.400 . 6.000 4.422 4.261 4.617 . 0 0 "[ . 1]" 1
979 1 47 TRP H 1 47 TRP QB 3.400 . 4.800 2.437 2.394 2.544 . 0 0 "[ . 1]" 1
980 1 46 LEU HB2 1 47 TRP H 4.200 . 6.000 3.713 3.426 3.867 . 0 0 "[ . 1]" 1
981 1 46 LEU QD 1 47 TRP H 4.400 . 6.000 3.402 3.048 3.906 . 0 0 "[ . 1]" 1
982 1 31 GLN HB3 1 47 TRP H 4.000 . 6.000 3.512 3.168 3.800 . 0 0 "[ . 1]" 1
983 1 46 LEU H 1 48 LYS H 5.000 . 6.000 5.110 4.955 5.371 . 0 0 "[ . 1]" 1
984 1 47 TRP H 1 48 LYS H 2.800 . 3.800 2.664 2.606 2.738 . 0 0 "[ . 1]" 1
985 1 48 LYS H 1 50 ILE H 4.200 . 6.000 4.021 3.889 4.159 . 0 0 "[ . 1]" 1
986 1 47 TRP HD1 1 48 LYS H 4.700 . 6.000 4.909 4.787 5.024 . 0 0 "[ . 1]" 1
987 1 48 LYS H 1 49 ASP HA 4.900 . 6.000 5.262 5.198 5.312 . 0 0 "[ . 1]" 1
988 1 46 LEU HA 1 48 LYS H 3.800 . 5.600 4.007 3.821 4.143 . 0 0 "[ . 1]" 1
989 1 48 LYS H 1 48 LYS HA 2.600 . 3.400 2.817 2.799 2.837 . 0 0 "[ . 1]" 1
990 1 47 TRP QB 1 48 LYS H 2.700 . 3.600 2.834 2.661 3.009 . 0 0 "[ . 1]" 1
991 1 48 LYS H 1 48 LYS QE 4.900 . 6.000 4.250 3.223 4.776 . 0 0 "[ . 1]" 1
992 1 48 LYS H 1 48 LYS QB 2.300 . 3.000 2.537 2.484 2.600 . 0 0 "[ . 1]" 1
993 1 48 LYS H 1 48 LYS QG 2.400 . 3.100 2.004 1.945 2.083 . 0 0 "[ . 1]" 1
994 1 46 LEU QD 1 48 LYS H 4.100 . 6.000 3.846 3.647 3.986 . 0 0 "[ . 1]" 1
995 1 47 TRP H 1 49 ASP H 4.300 . 6.000 4.224 4.123 4.347 . 0 0 "[ . 1]" 1
996 1 49 ASP H 1 50 ILE H 2.300 . 3.000 2.162 2.017 2.291 . 0 0 "[ . 1]" 1
997 1 49 ASP H 1 49 ASP HA 2.800 . 3.800 2.944 2.934 2.951 . 0 0 "[ . 1]" 1
998 1 49 ASP H 1 50 ILE HA 4.700 . 6.000 4.662 4.544 4.775 . 0 0 "[ . 1]" 1
999 1 49 ASP H 1 49 ASP HB2 2.500 . 3.300 2.530 2.415 2.644 . 0 0 "[ . 1]" 1
1000 1 49 ASP H 1 49 ASP HB3 3.000 . 4.100 3.712 3.643 3.783 . 0 0 "[ . 1]" 1
1001 1 49 ASP H 1 50 ILE HG12 4.500 . 6.000 4.995 4.854 5.116 . 0 0 "[ . 1]" 1
1002 1 48 LYS QB 1 49 ASP H 2.900 . 4.000 3.536 2.833 3.798 . 0 0 "[ . 1]" 1
1003 1 48 LYS QG 1 49 ASP H 3.000 . 4.100 2.924 2.396 4.053 . 0 0 "[ . 1]" 1
1004 1 49 ASP H 1 50 ILE HG13 3.800 . 5.600 3.429 3.290 3.534 . 0 0 "[ . 1]" 1
1005 1 49 ASP H 1 50 ILE MD 4.700 . 6.000 4.323 4.219 4.411 . 0 0 "[ . 1]" 1
1006 1 47 TRP HA 1 49 ASP H 3.500 . 5.000 3.695 3.451 3.914 . 0 0 "[ . 1]" 1
1007 1 48 LYS HA 1 49 ASP H 3.200 . 4.500 3.431 3.353 3.482 . 0 0 "[ . 1]" 1
1008 1 50 ILE H 1 51 GLN H 4.100 . 6.000 4.335 4.276 4.408 . 0 0 "[ . 1]" 1
1009 1 11 CYS HA 1 50 ILE H 4.600 . 6.000 4.921 4.730 5.141 . 0 0 "[ . 1]" 1
1010 1 49 ASP HA 1 50 ILE H 3.100 . 4.300 3.225 3.135 3.334 . 0 0 "[ . 1]" 1
1011 1 50 ILE H 1 50 ILE HA 2.700 . 3.600 2.934 2.921 2.948 . 0 0 "[ . 1]" 1
1012 1 50 ILE H 1 51 GLN HA 4.200 . 6.000 5.091 4.967 5.180 . 0 0 "[ . 1]" 1
1013 1 47 TRP HA 1 50 ILE H 3.200 . 4.500 3.214 3.011 3.398 . 0 0 "[ . 1]" 1
1014 1 49 ASP HB2 1 50 ILE H 3.800 . 5.600 3.637 3.442 3.850 . 0 0 "[ . 1]" 1
1015 1 49 ASP HB3 1 50 ILE H 3.900 . 5.800 4.262 4.149 4.348 . 0 0 "[ . 1]" 1
1016 1 50 ILE H 1 50 ILE HG12 3.300 . 4.700 3.899 3.797 4.030 . 0 0 "[ . 1]" 1
1017 1 50 ILE H 1 50 ILE HB 2.200 . 2.800 2.515 2.443 2.571 . 0 0 "[ . 1]" 1
1018 1 12 ARG HB2 1 50 ILE H 5.100 . 6.000 6.004 5.917 6.053 0.053 1 0 "[ . 1]" 1
1019 1 12 ARG HB3 1 50 ILE H 3.700 . 5.400 5.218 5.023 5.421 0.021 10 0 "[ . 1]" 1
1020 1 50 ILE H 1 50 ILE HG13 2.800 . 3.800 2.777 2.618 2.956 . 0 0 "[ . 1]" 1
1021 1 50 ILE H 1 50 ILE MD 3.500 . 5.100 3.445 3.407 3.496 . 0 0 "[ . 1]" 1
1022 1 3 LEU QD 1 50 ILE H 4.700 . 6.000 4.388 3.937 4.920 . 0 0 "[ . 1]" 1
1023 1 12 ARG H 1 51 GLN H 4.600 . 6.000 4.268 3.856 4.632 . 0 0 "[ . 1]" 1
1024 1 10 LEU H 1 51 GLN H 2.900 . 3.900 3.307 3.124 3.617 . 0 0 "[ . 1]" 1
1025 1 18 TYR QE 1 51 GLN H 3.900 . 5.800 3.825 2.972 4.447 . 0 0 "[ . 1]" 1
1026 1 11 CYS HA 1 51 GLN H 3.600 . 5.200 3.432 3.005 3.751 . 0 0 "[ . 1]" 1
1027 1 50 ILE HA 1 51 GLN H 2.100 . 2.700 2.113 2.094 2.131 . 0 0 "[ . 1]" 1
1028 1 51 GLN H 1 51 GLN HA 2.700 . 3.600 2.949 2.945 2.954 . 0 0 "[ . 1]" 1
1029 1 51 GLN H 1 51 GLN QG 3.300 . 4.700 3.697 2.787 4.187 . 0 0 "[ . 1]" 1
1030 1 10 LEU QB 1 51 GLN H 3.100 . 4.300 3.304 3.040 3.803 . 0 0 "[ . 1]" 1
1031 1 10 LEU QB 1 51 GLN H 4.200 . 6.000 3.268 3.009 3.762 . 0 0 "[ . 1]" 1
1032 1 50 ILE HG13 1 51 GLN H 4.500 . 6.000 5.015 4.960 5.066 . 0 0 "[ . 1]" 1
1033 1 50 ILE MG 1 51 GLN H 3.000 . 4.200 2.856 2.714 2.957 . 0 0 "[ . 1]" 1
1034 1 52 HIS H 1 52 HIS HD2 4.700 . 6.000 4.472 3.653 4.985 . 0 0 "[ . 1]" 1
1035 1 9 VAL MG2 1 53 ALA H 4.300 . 6.000 4.946 4.664 5.084 . 0 0 "[ . 1]" 1
1036 1 9 VAL MG1 1 53 ALA H 3.000 . 4.100 3.111 2.785 3.266 . 0 0 "[ . 1]" 1
1037 1 53 ALA H 1 53 ALA MB 2.600 . 3.400 2.327 2.271 2.371 . 0 0 "[ . 1]" 1
1038 1 9 VAL HB 1 53 ALA H 4.800 . 6.000 4.410 4.125 4.557 . 0 0 "[ . 1]" 1
1039 1 8 TYR HB2 1 53 ALA H 4.300 . 6.000 4.542 4.456 4.727 . 0 0 "[ . 1]" 1
1040 1 52 HIS HB2 1 53 ALA H 3.700 . 5.400 4.064 3.905 4.259 . 0 0 "[ . 1]" 1
1041 1 53 ALA H 1 53 ALA HA 2.900 . 4.000 2.920 2.882 2.941 . 0 0 "[ . 1]" 1
1042 1 52 HIS HA 1 53 ALA H 2.300 . 2.900 2.227 2.155 2.297 . 0 0 "[ . 1]" 1
1043 1 9 VAL HA 1 53 ALA H 2.300 . 3.000 2.258 1.967 2.428 . 0 0 "[ . 1]" 1
1044 1 8 TYR QD 1 53 ALA H 3.600 . 6.000 6.065 6.013 6.115 0.115 10 0 "[ . 1]" 1
1045 1 10 LEU H 1 53 ALA H 4.600 . 6.000 3.682 3.420 3.990 . 0 0 "[ . 1]" 1
1046 1 53 ALA HA 1 54 GLY H 2.600 . 3.500 2.213 2.135 2.317 . 0 0 "[ . 1]" 1
1047 1 52 HIS HB2 1 54 GLY H 4.700 . 6.000 6.049 5.552 6.595 0.595 4 1 "[ +. 1]" 1
1048 1 53 ALA MB 1 54 GLY H 3.400 . 4.900 2.883 2.590 3.156 . 0 0 "[ . 1]" 1
1049 1 54 GLY H 1 55 VAL MG2 5.100 . 6.000 3.863 3.353 5.540 . 0 0 "[ . 1]" 1
1050 1 10 LEU MD1 1 54 GLY H 3.800 . 6.000 3.901 2.583 4.765 . 0 0 "[ . 1]" 1
1051 1 57 GLY H 1 57 GLY HA2 2.700 . 3.600 2.575 2.344 2.902 . 0 0 "[ . 1]" 1
1052 1 56 PRO HB2 1 57 GLY H 3.700 . 5.400 3.321 2.241 4.350 . 0 0 "[ . 1]" 1
1053 1 56 PRO HG2 1 57 GLY H 4.000 . 6.000 3.777 2.186 5.749 . 0 0 "[ . 1]" 1
1054 1 55 VAL MG2 1 57 GLY H 4.100 . 6.000 3.214 1.657 5.464 0.343 8 0 "[ . 1]" 1
1055 1 57 GLY HA2 1 58 GLU H 2.800 . 3.800 2.939 2.184 3.561 . 0 0 "[ . 1]" 1
1056 1 58 GLU H 1 58 GLU HG2 4.200 . 6.000 3.990 2.511 5.130 . 0 0 "[ . 1]" 1
1057 1 55 VAL HB 1 58 GLU H 3.200 . 6.000 4.765 3.544 5.878 . 0 0 "[ . 1]" 1
1058 1 57 GLY H 1 58 GLU H 3.400 . 4.800 2.907 2.061 4.185 . 0 0 "[ . 1]" 1
1059 1 58 GLU H 1 58 GLU HB2 3.600 . 5.200 2.983 2.461 3.908 . 0 0 "[ . 1]" 1
1060 1 55 VAL MG2 1 58 GLU H 4.400 . 6.000 3.438 2.374 4.975 . 0 0 "[ . 1]" 1
1061 1 56 PRO HA 1 58 GLU H 4.400 . 6.000 4.958 3.435 6.071 0.071 1 0 "[ . 1]" 1
1062 1 54 GLY H 1 55 VAL H 3.000 . 4.100 2.315 2.171 2.432 . 0 0 "[ . 1]" 1
1063 1 55 VAL H 1 55 VAL HA 2.700 . 3.600 2.930 2.895 2.949 . 0 0 "[ . 1]" 1
1064 1 54 GLY QA 1 55 VAL H 2.700 . 3.600 2.869 2.815 2.914 . 0 0 "[ . 1]" 1
1065 1 55 VAL H 1 55 VAL HB 2.900 . 3.900 3.649 2.666 3.843 . 0 0 "[ . 1]" 1
1066 1 55 VAL H 1 55 VAL MG2 2.500 . 3.300 2.259 1.900 3.800 0.500 8 1 "[ . + 1]" 1
1067 1 53 ALA MB 1 55 VAL H 3.100 . 6.000 4.455 4.241 4.635 . 0 0 "[ . 1]" 1
1068 1 2 LYS H 1 3 LEU H 4.600 . 6.000 4.112 3.153 4.552 . 0 0 "[ . 1]" 1
1069 1 1 SER HB3 1 2 LYS H 4.800 . 6.000 3.527 1.939 4.473 0.061 5 0 "[ . 1]" 1
1070 1 2 LYS H 1 2 LYS HB3 4.100 . 6.000 3.121 2.453 4.130 . 0 0 "[ . 1]" 1
1071 1 2 LYS H 1 2 LYS HB2 3.600 . 5.200 2.619 2.301 3.223 . 0 0 "[ . 1]" 1
1072 1 2 LYS H 1 2 LYS QG 4.100 . 6.000 3.739 2.411 4.537 . 0 0 "[ . 1]" 1
1073 1 44 TRP HE3 1 45 VAL H 3.600 . 5.300 4.195 3.985 4.424 . 0 0 "[ . 1]" 1
1074 1 32 SER HA 1 45 VAL H 4.600 . 6.000 4.760 4.521 4.950 . 0 0 "[ . 1]" 1
1075 1 44 TRP HA 1 45 VAL H 2.200 . 2.800 2.135 2.114 2.149 . 0 0 "[ . 1]" 1
1076 1 45 VAL H 1 45 VAL HA 2.900 . 4.000 2.946 2.942 2.952 . 0 0 "[ . 1]" 1
1077 1 32 SER QB 1 45 VAL H 4.300 . 6.000 4.062 3.250 5.109 . 0 0 "[ . 1]" 1
1078 1 44 TRP QB 1 45 VAL H 4.000 . 6.000 3.483 3.309 3.523 . 0 0 "[ . 1]" 1
1079 1 45 VAL H 1 45 VAL HB 2.500 . 3.300 2.684 2.641 2.806 . 0 0 "[ . 1]" 1
1080 1 35 VAL HB 1 45 VAL H 4.700 . 6.000 4.516 4.023 5.324 . 0 0 "[ . 1]" 1
1081 1 45 VAL H 1 45 VAL QG 2.700 . 3.600 2.382 2.310 2.614 . 0 0 "[ . 1]" 1
1082 1 35 VAL MG2 1 45 VAL H 3.400 . 6.000 3.154 2.890 3.565 . 0 0 "[ . 1]" 1
1083 1 34 LEU QD 1 45 VAL H 3.400 . 6.000 4.757 4.479 5.075 . 0 0 "[ . 1]" 1
1084 1 13 TRP H 1 17 LEU H 3.500 . 5.000 3.491 2.907 3.758 . 0 0 "[ . 1]" 1
1085 1 13 TRP H 1 13 TRP HE3 4.900 . 6.000 4.251 3.887 4.486 . 0 0 "[ . 1]" 1
1086 1 13 TRP H 1 19 TYR QE 4.000 . 6.000 3.330 3.000 3.666 . 0 0 "[ . 1]" 1
1087 1 13 TRP H 1 19 TYR QD 3.200 . 6.000 3.150 2.675 3.830 . 0 0 "[ . 1]" 1
1088 1 34 LEU HB3 1 34 LEU QD . . 3.000 2.238 2.221 2.261 . 0 0 "[ . 1]" 1
1089 1 34 LEU HB3 1 34 LEU HG 2.700 . 3.600 2.497 2.473 2.523 . 0 0 "[ . 1]" 1
1090 1 24 LYS QB 1 34 LEU HB3 3.300 . 4.600 3.129 2.866 3.396 . 0 0 "[ . 1]" 1
1091 1 25 ARG HB2 1 34 LEU HB3 3.700 . 5.400 3.039 1.841 3.733 0.159 5 0 "[ . 1]" 1
1092 1 34 LEU HA 1 34 LEU HB3 2.800 . 3.800 3.025 3.022 3.028 . 0 0 "[ . 1]" 1
1093 1 34 LEU QD 1 44 TRP HB3 4.200 . 6.000 4.589 4.377 4.826 . 0 0 "[ . 1]" 1
1094 1 34 LEU HB3 1 44 TRP HA 4.300 . 6.000 5.233 5.093 5.519 . 0 0 "[ . 1]" 1
1095 1 44 TRP HB2 1 44 TRP HD1 2.900 . 4.000 2.671 2.642 2.723 . 0 0 "[ . 1]" 1
1096 1 44 TRP HH2 1 44 TRP HZ3 2.400 . 3.100 2.441 2.439 2.442 . 0 0 "[ . 1]" 1
1097 1 44 TRP HA 1 44 TRP HE3 2.900 . 3.900 3.206 3.081 3.398 . 0 0 "[ . 1]" 1
1098 1 34 LEU QD 1 44 TRP HE3 3.800 . 6.000 4.427 4.238 4.628 . 0 0 "[ . 1]" 1
1099 1 34 LEU HB3 1 44 TRP HZ2 4.000 . 6.000 4.495 4.203 4.780 . 0 0 "[ . 1]" 1
1100 1 34 LEU HB3 1 44 TRP HE3 4.500 . 6.000 5.161 5.023 5.279 . 0 0 "[ . 1]" 1
1101 1 34 LEU HB3 1 44 TRP HH2 3.800 . 5.600 4.277 4.172 4.461 . 0 0 "[ . 1]" 1
1102 1 47 TRP HH2 1 47 TRP HZ3 2.400 . 3.100 2.441 2.439 2.444 . 0 0 "[ . 1]" 1
1103 1 47 TRP HA 1 47 TRP HE3 3.000 . 6.000 5.177 5.132 5.205 . 0 0 "[ . 1]" 1
1104 1 47 TRP HB3 1 47 TRP HE3 3.000 . 4.100 3.043 2.932 3.145 . 0 0 "[ . 1]" 1
1105 1 8 TYR HA 1 8 TYR QE 4.300 . 6.000 4.646 4.559 4.780 . 0 0 "[ . 1]" 1
1106 1 18 TYR HB3 1 18 TYR QD 2.600 . 3.400 2.328 2.291 2.374 . 0 0 "[ . 1]" 1
1107 1 18 TYR HB2 1 18 TYR QD 2.700 . 3.600 2.484 2.417 2.540 . 0 0 "[ . 1]" 1
1108 1 37 PHE HB3 1 37 PHE QD 2.900 . 3.900 2.428 2.390 2.504 . 0 0 "[ . 1]" 1
1109 1 33 CYS HA 1 44 TRP HZ3 2.800 . 3.800 3.025 2.778 3.301 . 0 0 "[ . 1]" 1
1110 1 33 CYS HA 1 44 TRP HE3 3.300 . 4.700 3.313 3.170 3.446 . 0 0 "[ . 1]" 1
1111 1 32 SER HA 1 44 TRP HE3 4.100 . 6.000 4.534 4.303 4.770 . 0 0 "[ . 1]" 1
1112 1 32 SER HA 1 44 TRP HZ3 3.200 . 6.000 5.724 5.476 5.966 . 0 0 "[ . 1]" 1
1113 1 32 SER HA 1 47 TRP HD1 2.600 . 3.400 2.831 2.668 2.967 . 0 0 "[ . 1]" 1
1114 1 33 CYS HA 1 44 TRP HH2 4.700 . 6.000 5.011 4.717 5.302 . 0 0 "[ . 1]" 1
1115 1 28 SER HA 1 47 TRP HZ3 4.400 . 6.000 4.110 3.882 4.303 . 0 0 "[ . 1]" 1
1116 1 46 LEU HA 1 47 TRP HD1 3.900 . 5.800 3.912 3.603 4.164 . 0 0 "[ . 1]" 1
1117 1 28 SER HB2 1 47 TRP HH2 2.800 . 3.700 3.151 2.708 4.112 0.412 3 0 "[ . 1]" 1
1118 1 28 SER HB2 1 47 TRP HZ3 4.500 . 6.000 5.064 4.484 6.264 0.264 10 0 "[ . 1]" 1
1119 1 28 SER HA 1 28 SER HB2 2.300 . 2.900 2.638 2.501 3.027 0.127 10 0 "[ . 1]" 1
1120 1 44 TRP HA 1 44 TRP HB3 2.800 . 3.800 2.533 2.507 2.548 . 0 0 "[ . 1]" 1
1121 1 44 TRP HB2 1 44 TRP HE3 3.800 . 5.600 4.105 4.067 4.131 . 0 0 "[ . 1]" 1
1122 1 27 SER QB 1 44 TRP HZ3 2.800 . 3.800 2.243 1.950 2.707 . 0 0 "[ . 1]" 1
1123 1 27 SER QB 1 44 TRP HH2 3.100 . 4.300 3.254 2.828 3.786 . 0 0 "[ . 1]" 1
1124 1 47 TRP HA 1 47 TRP HD1 2.400 . 3.100 2.267 2.182 2.403 . 0 0 "[ . 1]" 1
1125 1 28 SER HA 1 47 TRP HZ2 2.500 . 3.300 2.173 1.972 2.361 . 0 0 "[ . 1]" 1
1126 1 28 SER HA 1 47 TRP HH2 2.600 . 3.400 2.112 1.820 2.544 . 0 0 "[ . 1]" 1
1127 1 32 SER QB 1 44 TRP HE3 2.500 . 3.300 2.641 2.297 2.811 . 0 0 "[ . 1]" 1
1128 1 27 SER HA 1 44 TRP HH2 4.100 . 6.000 5.113 4.815 5.302 . 0 0 "[ . 1]" 1
1129 1 14 THR HA 1 14 THR HB 2.600 . 3.400 2.838 2.504 3.025 . 0 0 "[ . 1]" 1
1130 1 14 THR HA 1 14 THR MG 2.400 . 3.100 2.466 2.196 3.198 0.098 10 0 "[ . 1]" 1
1131 1 36 THR HB 1 36 THR MG 2.100 . 2.600 2.138 2.137 2.139 . 0 0 "[ . 1]" 1
1132 1 35 VAL HA 1 35 VAL HB 3.000 . 4.100 3.025 3.022 3.027 . 0 0 "[ . 1]" 1
1133 1 45 VAL HA 1 45 VAL MG2 2.400 . 3.100 2.489 2.472 2.503 . 0 0 "[ . 1]" 1
1134 1 3 LEU HA 1 3 LEU HB2 3.000 . 4.100 3.017 3.007 3.025 . 0 0 "[ . 1]" 1
1135 1 10 LEU HA 1 10 LEU MD2 2.800 . 3.800 2.081 1.944 2.183 . 0 0 "[ . 1]" 1
1136 1 17 LEU HA 1 17 LEU MD2 3.000 . 4.200 2.028 1.972 2.092 . 0 0 "[ . 1]" 1
1137 1 17 LEU HA 1 17 LEU QD 2.500 . 3.300 2.020 1.966 2.084 . 0 0 "[ . 1]" 1
1138 1 17 LEU HB2 1 17 LEU QD 2.700 . 3.600 2.276 2.210 2.320 . 0 0 "[ . 1]" 1
1139 1 34 LEU HA 1 34 LEU HB2 2.600 . 3.400 2.462 2.434 2.523 . 0 0 "[ . 1]" 1
1140 1 34 LEU HA 1 34 LEU HG 2.800 . 3.800 3.180 3.077 3.741 . 0 0 "[ . 1]" 1
1141 1 34 LEU HB2 1 34 LEU HG 2.800 . 3.800 2.952 2.356 3.022 . 0 0 "[ . 1]" 1
1142 1 46 LEU HB2 1 46 LEU MD2 2.800 . 3.800 3.048 2.441 3.202 . 0 0 "[ . 1]" 1
1143 1 46 LEU HA 1 46 LEU HG 2.600 . 3.400 2.920 2.417 3.247 . 0 0 "[ . 1]" 1
1144 1 23 ILE HA 1 23 ILE HB 2.800 . 3.800 3.025 3.021 3.027 . 0 0 "[ . 1]" 1
1145 1 23 ILE HA 1 23 ILE HG12 2.600 . 3.400 2.516 2.473 2.544 . 0 0 "[ . 1]" 1
1146 1 50 ILE HB 1 50 ILE HG13 2.800 . 3.700 2.459 2.451 2.470 . 0 0 "[ . 1]" 1
1147 1 2 LYS HA 1 2 LYS HG3 3.200 . 4.500 3.330 2.409 4.245 . 0 0 "[ . 1]" 1
1148 1 2 LYS HA 1 2 LYS HG2 3.000 . 4.100 3.454 2.409 3.811 . 0 0 "[ . 1]" 1
1149 1 22 LYS HA 1 22 LYS HG2 3.700 . 5.400 3.408 3.309 3.490 . 0 0 "[ . 1]" 1
1150 1 22 LYS HA 1 22 LYS HB2 2.800 . 3.800 2.391 2.371 2.410 . 0 0 "[ . 1]" 1
1151 1 36 THR MG 1 42 LYS HA 3.700 . 5.400 3.730 3.381 3.949 . 0 0 "[ . 1]" 1
1152 1 48 LYS HA 1 48 LYS QG 3.800 . 5.400 3.270 2.936 3.351 . 0 0 "[ . 1]" 1
1153 1 12 ARG HA 1 12 ARG HB2 2.800 . 3.800 2.440 2.395 2.506 . 0 0 "[ . 1]" 1
1154 1 25 ARG HA 1 25 ARG HB2 2.500 . 3.300 2.350 2.233 2.762 . 0 0 "[ . 1]" 1
1155 1 5 GLU HA 1 5 GLU HG3 3.100 . 4.300 2.995 2.871 3.160 . 0 0 "[ . 1]" 1
1156 1 5 GLU HA 1 5 GLU HG2 2.700 . 3.600 2.706 2.561 2.777 . 0 0 "[ . 1]" 1
1157 1 7 GLN HA 1 7 GLN HB2 2.700 . 3.600 3.021 3.019 3.023 . 0 0 "[ . 1]" 1
1158 1 8 TYR HA 1 8 TYR HB3 2.700 . 3.600 2.516 2.390 2.627 . 0 0 "[ . 1]" 1
1159 1 8 TYR HA 1 8 TYR HB2 3.000 . 4.100 3.017 2.990 3.029 . 0 0 "[ . 1]" 1
1160 1 11 CYS HA 1 11 CYS HB2 2.900 . 3.900 2.966 2.451 3.026 . 0 0 "[ . 1]" 1
1161 1 11 CYS HA 1 11 CYS HB3 2.600 . 3.400 2.492 2.415 3.024 . 0 0 "[ . 1]" 1
1162 1 39 ASP HA 1 39 ASP HB2 2.400 . 3.100 2.457 2.407 2.512 . 0 0 "[ . 1]" 1
1163 1 49 ASP HA 1 49 ASP HB3 2.600 . 3.400 2.513 2.461 2.551 . 0 0 "[ . 1]" 1
1164 1 33 CYS HA 1 33 CYS HB2 2.700 . 3.600 2.908 2.426 3.028 . 0 0 "[ . 1]" 1
1165 1 33 CYS HA 1 33 CYS HB3 2.600 . 3.500 2.591 2.474 3.028 . 0 0 "[ . 1]" 1
1166 1 26 VAL HA 1 33 CYS HA 2.300 . 2.900 2.402 2.265 2.550 . 0 0 "[ . 1]" 1
1167 1 38 GLU HA 1 38 GLU HB3 2.600 . 3.400 2.509 2.421 3.025 . 0 0 "[ . 1]" 1
1168 1 38 GLU HA 1 38 GLU HB2 3.000 . 4.100 2.971 2.521 3.023 . 0 0 "[ . 1]" 1
1169 1 51 GLN HA 1 51 GLN HG3 3.200 . 4.500 3.037 2.446 3.792 . 0 0 "[ . 1]" 1
1170 1 51 GLN HB3 1 51 GLN HG3 3.000 . 4.100 2.574 2.392 3.002 . 0 0 "[ . 1]" 1
1171 1 51 GLN HB2 1 51 GLN HG3 2.800 . 3.800 2.781 2.335 3.010 . 0 0 "[ . 1]" 1
1172 1 56 PRO HA 1 56 PRO HD2 2.900 . 6.000 4.036 3.928 4.097 . 0 0 "[ . 1]" 1
1173 1 56 PRO HA 1 56 PRO HD3 2.700 . 3.600 3.553 3.331 3.677 0.077 1 0 "[ . 1]" 1
1174 1 11 CYS HA 1 45 VAL MG1 3.500 . 5.100 3.137 2.756 4.457 . 0 0 "[ . 1]" 1
1175 1 11 CYS HA 1 50 ILE MD 4.700 . 6.000 4.548 4.454 4.759 . 0 0 "[ . 1]" 1
1176 1 9 VAL MG2 1 11 CYS HA 4.800 . 6.000 4.151 3.869 4.248 . 0 0 "[ . 1]" 1
1177 1 11 CYS HA 1 50 ILE HG12 3.400 . 4.800 3.018 2.909 3.263 . 0 0 "[ . 1]" 1
1178 1 26 VAL HB 1 33 CYS HA 4.500 . 6.000 4.671 4.147 5.565 . 0 0 "[ . 1]" 1
1179 1 23 ILE MD 1 33 CYS HA 4.200 . 6.000 5.299 4.922 5.903 . 0 0 "[ . 1]" 1
1180 1 33 CYS HA 1 35 VAL MG2 3.600 . 6.000 4.458 4.327 4.602 . 0 0 "[ . 1]" 1
1181 1 32 SER HA 1 46 LEU HG 3.900 . 5.800 4.755 3.718 5.172 . 0 0 "[ . 1]" 1
1182 1 32 SER HA 1 46 LEU HB2 4.500 . 6.000 5.175 5.031 5.394 . 0 0 "[ . 1]" 1
1183 1 3 LEU QD 1 32 SER HA 4.000 . 6.000 5.054 4.516 5.501 . 0 0 "[ . 1]" 1
1184 1 32 SER HA 1 50 ILE MD 3.600 . 5.200 3.668 3.467 3.803 . 0 0 "[ . 1]" 1
1185 2 5 VAL HA 2 5 VAL QG 2.800 . 3.800 2.255 2.131 2.360 . 0 0 "[ . 1]" 1
1186 1 12 ARG HB2 1 49 ASP HA 3.900 . 5.800 3.907 3.747 4.171 . 0 0 "[ . 1]" 1
1187 1 12 ARG HB3 1 49 ASP HA 3.000 . 4.100 2.842 2.663 3.098 . 0 0 "[ . 1]" 1
1188 1 36 THR HA 1 42 LYS HB2 3.900 . 5.800 4.881 4.549 5.163 . 0 0 "[ . 1]" 1
1189 1 3 LEU QD 1 47 TRP HZ2 3.300 . 6.000 4.376 3.730 4.836 . 0 0 "[ . 1]" 1
1190 1 3 LEU QD 1 52 HIS HE2 3.200 . 4.500 2.607 2.234 2.949 . 0 0 "[ . 1]" 1
1191 1 3 LEU HG 1 47 TRP HE3 3.300 . 6.000 5.672 5.140 6.000 . 7 0 "[ . 1]" 1
1192 1 3 LEU QB 1 47 TRP HE3 3.500 . 6.000 5.814 5.375 6.025 0.025 7 0 "[ . 1]" 1
1193 1 37 PHE QD 1 43 TYR QD 3.800 . 6.000 2.402 2.018 2.828 . 0 0 "[ . 1]" 1
1194 1 37 PHE QD 1 43 TYR QE 6.000 . 6.000 3.720 3.251 4.248 . 0 0 "[ . 1]" 1
1195 1 12 ARG HA 1 18 TYR HA 2.800 . 3.800 2.128 2.000 2.298 . 0 0 "[ . 1]" 1
1196 1 13 TRP HB2 1 13 TRP HD1 3.700 . 5.400 3.660 3.551 3.762 . 0 0 "[ . 1]" 1
1197 1 13 TRP HE3 1 45 VAL MG1 3.600 . 5.200 3.852 3.389 4.591 . 0 0 "[ . 1]" 1
1198 1 13 TRP HE3 1 45 VAL MG2 4.200 . 6.000 3.194 2.726 3.801 . 0 0 "[ . 1]" 1
1199 1 13 TRP HZ3 1 45 VAL MG2 3.800 . 5.600 2.516 2.094 3.350 . 0 0 "[ . 1]" 1
1200 1 13 TRP HZ2 1 45 VAL MG2 4.700 . 6.000 5.854 4.929 6.037 0.037 7 0 "[ . 1]" 1
1201 1 13 TRP HA 1 13 TRP HD1 4.400 . 6.000 4.315 4.008 4.519 . 0 0 "[ . 1]" 1
1202 1 33 CYS HB3 1 35 VAL MG2 2.600 . 6.000 3.044 2.763 3.238 . 0 0 "[ . 1]" 1
1203 1 23 ILE MG 1 33 CYS HB3 2.900 . 3.900 2.434 1.869 4.331 0.431 2 0 "[ . 1]" 1
1204 1 33 CYS HB2 1 35 VAL MG2 3.000 . 4.100 3.012 2.562 4.204 0.104 2 0 "[ . 1]" 1
1205 1 5 GLU HB2 1 23 ILE MG 4.500 . 6.000 4.426 3.916 4.931 . 0 0 "[ . 1]" 1
1206 1 7 GLN HG2 1 9 VAL MG1 4.600 . 6.000 5.302 4.761 5.620 . 0 0 "[ . 1]" 1
1207 1 7 GLN HG3 1 9 VAL MG1 4.300 . 6.000 5.020 4.689 5.187 . 0 0 "[ . 1]" 1
1208 1 7 GLN HB2 1 9 VAL MG1 4.000 . 6.000 3.042 2.761 3.197 . 0 0 "[ . 1]" 1
1209 1 9 VAL HB 1 23 ILE MD 3.200 . 4.500 3.919 3.762 4.177 . 0 0 "[ . 1]" 1
1210 1 10 LEU MD1 1 18 TYR HB3 3.300 . 4.700 3.383 3.048 4.044 . 0 0 "[ . 1]" 1
1211 1 8 TYR HA 1 22 LYS HG3 3.700 . 5.400 3.795 3.587 3.991 . 0 0 "[ . 1]" 1
1212 1 8 TYR QD 1 22 LYS HG2 4.600 . 6.000 5.483 4.971 5.791 . 0 0 "[ . 1]" 1
1213 2 2 THR HA 2 2 THR HB 2.800 . 3.800 2.627 2.431 3.024 . 0 0 "[ . 1]" 1
1214 1 8 TYR QD 1 22 LYS HA 3.800 . 5.700 3.778 3.189 4.070 . 0 0 "[ . 1]" 1
1215 1 7 GLN HA 1 8 TYR QD 4.000 . 6.000 3.492 3.083 4.239 . 0 0 "[ . 1]" 1
1216 1 7 GLN HA 1 8 TYR HA 4.400 . 6.000 4.373 4.346 4.401 . 0 0 "[ . 1]" 1
1217 1 6 GLY HA2 1 8 TYR QD 4.300 . 6.000 5.980 5.498 6.081 0.081 3 0 "[ . 1]" 1
1218 1 8 TYR QE 1 22 LYS QE 3.500 . 5.100 3.732 3.287 4.330 . 0 0 "[ . 1]" 1
1219 1 6 GLY HA2 1 22 LYS QE 2.800 . 3.800 1.878 1.769 2.049 0.031 3 0 "[ . 1]" 1
1220 1 22 LYS QE 1 22 LYS HG2 3.000 . 4.200 2.626 2.377 2.884 . 0 0 "[ . 1]" 1
1221 1 22 LYS QE 1 22 LYS HG3 3.000 . 4.100 2.411 2.356 2.444 . 0 0 "[ . 1]" 1
1222 1 6 GLY HA3 1 22 LYS QE 3.900 . 5.800 3.098 3.036 3.179 . 0 0 "[ . 1]" 1
1223 1 12 ARG HD3 1 18 TYR QE 3.700 . 5.400 4.217 3.232 4.599 . 0 0 "[ . 1]" 1
1224 1 12 ARG HD2 1 12 ARG HG2 3.000 . 4.100 2.837 2.400 3.016 . 0 0 "[ . 1]" 1
1225 1 12 ARG HB3 1 12 ARG HD3 3.000 . 4.100 2.746 2.371 3.626 . 0 0 "[ . 1]" 1
1226 1 12 ARG HB3 1 12 ARG HD2 3.400 . 4.800 2.962 2.438 3.703 . 0 0 "[ . 1]" 1
1227 1 12 ARG HD2 1 12 ARG HG3 2.500 . 3.300 2.559 2.393 3.016 . 0 0 "[ . 1]" 1
1228 1 12 ARG HB2 1 18 TYR QD 2.900 . 4.000 3.252 3.047 3.595 . 0 0 "[ . 1]" 1
1229 1 12 ARG HB2 1 18 TYR QE 2.900 . 3.900 2.780 2.478 3.174 . 0 0 "[ . 1]" 1
1230 1 12 ARG HG3 1 18 TYR QE 3.500 . 5.000 3.565 3.180 3.824 . 0 0 "[ . 1]" 1
1231 1 12 ARG HB3 1 18 TYR QE 3.700 . 5.400 4.000 3.723 4.475 . 0 0 "[ . 1]" 1
1232 1 33 CYS HA 1 34 LEU HA 4.400 . 6.000 4.382 4.372 4.393 . 0 0 "[ . 1]" 1
1233 1 11 CYS HB2 1 37 PHE QE 2.800 . 6.000 1.831 1.472 2.839 . 0 0 "[ . 1]" 1
1234 1 11 CYS HB2 1 37 PHE QD 4.600 . 6.000 4.077 3.664 4.724 . 0 0 "[ . 1]" 1
1235 1 11 CYS HB3 1 37 PHE QE 3.400 . 6.000 3.065 1.484 3.454 . 0 0 "[ . 1]" 1
1236 1 11 CYS HB3 1 37 PHE HZ 3.000 . 4.200 3.011 2.786 3.204 . 0 0 "[ . 1]" 1
1237 1 25 ARG HD3 1 34 LEU QD 3.600 . 5.200 3.717 3.072 4.760 . 0 0 "[ . 1]" 1
1238 1 1 SER HB3 1 3 LEU QD 3.800 . 5.600 3.342 2.549 4.344 . 0 0 "[ . 1]" 1
1239 1 3 LEU QD 1 47 TRP HB3 3.400 . 4.800 2.878 2.289 3.321 . 0 0 "[ . 1]" 1
1240 1 1 SER HB3 1 3 LEU HG 3.900 . 5.800 5.223 4.036 5.875 0.075 5 0 "[ . 1]" 1
1241 1 9 VAL MG2 1 23 ILE HA 4.200 . 6.000 3.936 3.710 4.119 . 0 0 "[ . 1]" 1
1242 1 9 VAL MG2 1 23 ILE HG12 3.400 . 4.800 2.611 2.465 2.773 . 0 0 "[ . 1]" 1
1243 1 5 GLU HA 1 5 GLU HB3 2.400 . 3.100 2.425 2.381 2.482 . 0 0 "[ . 1]" 1
1244 1 55 VAL HA 1 55 VAL MG1 2.700 . 3.600 2.443 2.319 3.222 . 0 0 "[ . 1]" 1
1245 1 58 GLU HA 1 58 GLU HB2 2.800 . 3.800 2.713 2.472 3.027 . 0 0 "[ . 1]" 1
1246 1 55 VAL MG2 1 57 GLY HA3 4.300 . 6.000 4.344 3.642 6.009 0.009 5 0 "[ . 1]" 1
1247 1 4 THR HB 1 5 GLU HG3 5.000 . 6.000 5.709 5.361 5.960 . 0 0 "[ . 1]" 1
1248 1 50 ILE MG 1 51 GLN HA 3.300 . 4.700 3.536 3.376 3.654 . 0 0 "[ . 1]" 1
1249 1 52 HIS HA 1 52 HIS HD2 3.400 . 4.900 3.110 2.619 3.791 . 0 0 "[ . 1]" 1
1250 1 9 VAL MG1 1 52 HIS HD2 2.900 . 6.000 2.987 2.611 4.300 . 0 0 "[ . 1]" 1
1251 1 4 THR HA 1 5 GLU HA 3.900 . 5.800 4.324 4.304 4.341 . 0 0 "[ . 1]" 1
1252 1 24 LYS HA 1 24 LYS QB 2.200 . 2.800 2.045 1.886 2.351 . 0 0 "[ . 1]" 1
1253 1 24 LYS HA 1 24 LYS HD2 3.200 . 4.500 3.168 1.996 3.725 . 0 0 "[ . 1]" 1
1254 1 26 VAL HA 1 33 CYS HB3 3.600 . 5.200 3.518 3.137 4.539 . 0 0 "[ . 1]" 1
1255 1 37 PHE QE 1 43 TYR HB2 2.900 . 6.000 1.777 1.460 2.091 . 0 0 "[ . 1]" 1
1256 1 25 ARG HD3 1 25 ARG HG2 2.900 . 3.900 2.453 2.394 2.505 . 0 0 "[ . 1]" 1
1257 1 25 ARG HB2 1 25 ARG HD3 3.300 . 4.700 2.641 2.372 2.750 . 0 0 "[ . 1]" 1
1258 1 25 ARG HB2 1 25 ARG HD2 2.700 . 3.600 2.309 2.190 2.747 . 0 0 "[ . 1]" 1
1259 2 10 ARG QD 2 10 ARG HG2 2.600 . 3.400 2.349 2.307 2.385 . 0 0 "[ . 1]" 1
1260 2 10 ARG HB3 2 10 ARG QD 3.700 . 4.300 3.077 2.349 3.545 . 0 0 "[ . 1]" 1
1261 2 10 ARG HB2 2 10 ARG QD 3.200 . 3.300 2.742 2.332 3.314 0.014 3 0 "[ . 1]" 1
1262 2 10 ARG HA 2 10 ARG QD 3.600 . 3.800 2.491 1.954 3.005 0.046 5 0 "[ . 1]" 1
1263 1 26 VAL HA 1 44 TRP HZ3 3.600 . 5.200 3.857 3.577 4.201 . 0 0 "[ . 1]" 1
1264 1 20 LEU QD 2 9 HIS HE1 3.200 . 6.000 3.450 2.307 4.399 . 0 0 "[ . 1]" 1
1265 1 17 LEU QD 2 10 ARG HA 2.900 . 6.000 3.733 3.212 4.213 . 0 0 "[ . 1]" 1
1266 2 10 ARG HA 2 10 ARG QG 2.400 . 3.100 2.585 2.351 2.971 . 0 0 "[ . 1]" 1
1267 2 10 ARG HA 2 10 ARG HB3 2.200 . 2.800 2.599 2.452 3.021 0.221 5 0 "[ . 1]" 1
1268 2 10 ARG HA 2 10 ARG HB2 2.400 . 3.100 2.963 2.531 3.026 . 0 0 "[ . 1]" 1
1269 2 10 ARG QD 2 10 ARG QG 2.100 . 2.700 2.071 1.989 2.091 . 0 0 "[ . 1]" 1
1270 2 5 VAL HA 2 5 VAL HB 2.700 . 3.600 2.623 2.393 3.024 . 0 0 "[ . 1]" 1
1271 2 1 ALA HA 2 1 ALA MB 2.300 . 3.000 2.128 2.127 2.129 . 0 0 "[ . 1]" 1
1272 2 11 TYR HA 2 11 TYR QD 3.000 . 4.100 2.630 2.158 3.051 . 0 0 "[ . 1]" 1
1273 2 11 TYR HB3 2 11 TYR QD 2.700 . 3.600 2.371 2.264 2.611 . 0 0 "[ . 1]" 1
1274 2 11 TYR HA 2 11 TYR HB2 2.700 . 3.600 2.663 2.401 3.022 . 0 0 "[ . 1]" 1
1275 2 9 HIS HA 2 9 HIS QB 2.400 . 3.100 2.282 2.174 2.426 . 0 0 "[ . 1]" 1
1276 2 9 HIS HA 2 9 HIS HD2 4.100 . 6.000 4.245 3.510 4.722 . 0 0 "[ . 1]" 1
1277 1 17 LEU QD 2 8 PRO HB3 2.600 . 6.000 2.661 2.031 2.995 . 0 0 "[ . 1]" 1
1278 1 17 LEU QD 2 8 PRO HB2 2.300 . 6.000 2.396 1.935 3.283 . 0 0 "[ . 1]" 1
1279 2 8 PRO HB2 2 8 PRO HD3 2.200 . 2.800 2.282 2.251 2.306 . 0 0 "[ . 1]" 1
1280 2 8 PRO HA 2 8 PRO HB3 2.900 . 3.900 2.035 2.023 2.045 . 0 0 "[ . 1]" 1
1281 2 8 PRO HB3 2 8 PRO HD3 3.300 . 4.600 2.677 2.638 2.734 . 0 0 "[ . 1]" 1
1282 1 17 LEU HB3 2 8 PRO HB2 3.300 . 4.600 3.180 2.160 4.295 . 0 0 "[ . 1]" 1
1283 1 17 LEU HG 2 8 PRO HB2 3.100 . 6.000 5.022 4.305 6.031 0.031 9 0 "[ . 1]" 1
1284 2 2 THR HA 2 2 THR MG 2.700 . 3.600 2.643 2.182 3.222 . 0 0 "[ . 1]" 1
1285 1 10 LEU MD1 2 9 HIS HE1 4.400 . 5.000 4.416 3.344 4.961 . 0 0 "[ . 1]" 1
1286 1 10 LEU MD2 2 9 HIS HE1 . . 3.600 2.951 2.388 3.632 0.032 5 0 "[ . 1]" 1
1287 1 10 LEU MD2 2 9 HIS HD2 . . 3.600 3.404 2.412 3.647 0.047 6 0 "[ . 1]" 1
1288 1 10 LEU MD1 2 9 HIS HD2 . . 3.600 3.323 2.549 3.626 0.026 2 0 "[ . 1]" 1
1289 2 7 LYS HE3 2 7 LYS QG 3.100 . 4.300 2.771 2.315 3.314 . 0 0 "[ . 1]" 1
1290 2 5 VAL QG 2 7 LYS HE3 2.600 . 6.000 5.214 2.958 6.154 0.154 4 0 "[ . 1]" 1
1291 2 4 GLY HA3 2 5 VAL QG 3.700 . 5.500 3.855 3.117 4.565 . 0 0 "[ . 1]" 1
1292 2 4 GLY HA2 2 5 VAL QG 3.500 . 6.000 3.865 3.273 4.510 . 0 0 "[ . 1]" 1
1293 2 7 LYS HB3 2 7 LYS HE3 4.100 . 6.000 4.440 3.800 4.806 . 0 0 "[ . 1]" 1
1294 2 7 LYS HE3 2 7 LYS HG3 3.000 . 4.200 3.324 2.395 3.735 . 0 0 "[ . 1]" 1
1295 2 7 LYS HE3 2 7 LYS HG2 3.100 . 4.300 3.058 2.470 3.737 . 0 0 "[ . 1]" 1
1296 2 10 ARG HB3 2 11 TYR QD 3.300 . 6.000 5.913 5.586 6.160 0.160 3 0 "[ . 1]" 1
1297 2 10 ARG HA 2 11 TYR QD 3.100 . 6.000 5.329 4.043 6.006 0.006 4 0 "[ . 1]" 1
1298 1 19 TYR QD 2 8 PRO HB2 3.400 . 6.000 4.353 3.629 5.882 . 0 0 "[ . 1]" 1
1299 1 10 LEU MD1 2 11 TYR QD . . 3.600 2.920 2.019 3.655 0.055 5 0 "[ . 1]" 1
1300 1 10 LEU MD1 2 11 TYR QE 3.600 . 3.600 2.720 1.812 3.505 . 0 0 "[ . 1]" 1
1301 1 17 LEU MD2 2 8 PRO HB2 3.300 . 6.000 3.352 2.790 4.540 . 0 0 "[ . 1]" 1
1302 1 17 LEU HB3 2 8 PRO HB3 4.100 . 6.000 2.991 2.414 3.746 . 0 0 "[ . 1]" 1
1303 1 17 LEU MD1 2 10 ARG HA 3.800 . 6.000 5.716 5.210 6.040 0.040 7 0 "[ . 1]" 1
1304 1 17 LEU MD1 2 8 PRO HB2 4.400 . 6.000 2.483 1.957 3.337 0.043 1 0 "[ . 1]" 1
1305 1 17 LEU MD1 2 8 PRO HB3 4.200 . 6.000 2.555 2.035 2.867 . 0 0 "[ . 1]" 1
1306 1 17 LEU MD1 2 10 ARG QB 4.400 . 6.000 4.912 4.339 5.502 . 0 0 "[ . 1]" 1
1307 1 35 VAL MG1 1 37 PHE QE 2.700 . 6.000 3.343 3.061 3.676 . 0 0 "[ . 1]" 1
1308 1 8 TYR HA 1 8 TYR QD 2.700 . 3.600 3.009 2.670 3.172 . 0 0 "[ . 1]" 1
1309 1 8 TYR HB3 1 8 TYR QD 2.600 . 3.400 2.350 2.254 2.532 . 0 0 "[ . 1]" 1
1310 1 18 TYR HA 1 18 TYR QD 2.900 . 4.000 3.085 2.979 3.133 . 0 0 "[ . 1]" 1
1311 1 10 LEU MD2 1 18 TYR QD 4.600 . 6.000 4.242 3.965 4.464 . 0 0 "[ . 1]" 1
1312 1 12 ARG HA 1 18 TYR QD 3.400 . 4.900 3.652 3.478 3.903 . 0 0 "[ . 1]" 1
1313 1 11 CYS HA 1 18 TYR QD 3.700 . 5.400 4.040 3.734 4.532 . 0 0 "[ . 1]" 1
1314 1 10 LEU HA 1 18 TYR QD 4.400 . 6.000 4.035 3.737 4.305 . 0 0 "[ . 1]" 1
1315 1 18 TYR QE 1 51 GLN HG2 3.700 . 5.400 3.925 2.230 5.033 . 0 0 "[ . 1]" 1
1316 1 18 TYR QE 1 51 GLN HG3 3.900 . 5.800 4.400 2.191 5.353 . 0 0 "[ . 1]" 1
1317 1 11 CYS HA 1 18 TYR QE 4.000 . 6.000 4.866 4.208 5.313 . 0 0 "[ . 1]" 1
1318 1 19 TYR HB2 1 37 PHE QE 2.800 . 6.000 2.339 2.119 2.482 . 0 0 "[ . 1]" 1
1319 1 19 TYR HB2 1 37 PHE QD 3.600 . 6.000 2.945 2.650 3.215 . 0 0 "[ . 1]" 1
1320 1 19 TYR HB3 1 37 PHE QD 3.000 . 6.000 2.710 2.385 2.988 . 0 0 "[ . 1]" 1
1321 1 19 TYR HB3 1 37 PHE QE 3.400 . 6.000 3.510 3.285 3.725 . 0 0 "[ . 1]" 1
1322 1 18 TYR HA 1 19 TYR QD 3.500 . 6.000 3.555 3.079 3.816 . 0 0 "[ . 1]" 1
1323 1 13 TRP HA 1 19 TYR QD 3.200 . 6.000 4.562 4.246 4.730 . 0 0 "[ . 1]" 1
1324 1 13 TRP HB3 1 19 TYR QD 3.800 . 6.000 3.781 2.574 4.745 . 0 0 "[ . 1]" 1
1325 1 19 TYR HB3 1 19 TYR QD 2.700 . 3.600 2.418 2.334 2.494 . 0 0 "[ . 1]" 1
1326 1 19 TYR QD 1 37 PHE QD 3.900 . 6.000 4.473 4.282 4.686 . 0 0 "[ . 1]" 1
1327 1 18 TYR HA 1 19 TYR QE 2.800 . 6.000 4.776 4.501 5.194 . 0 0 "[ . 1]" 1
1328 1 13 TRP HB2 1 19 TYR QE 2.400 . 6.000 2.240 1.530 3.047 . 0 0 "[ . 1]" 1
1329 1 17 LEU HB2 1 19 TYR QE 3.500 . 5.000 2.861 2.401 3.385 . 0 0 "[ . 1]" 1
1330 1 44 TRP HB3 1 44 TRP HD1 3.600 . 5.200 3.817 3.797 3.847 . 0 0 "[ . 1]" 1
1331 1 44 TRP HB3 1 44 TRP HE3 2.900 . 3.900 2.563 2.507 2.606 . 0 0 "[ . 1]" 1
1332 1 44 TRP HA 1 44 TRP HZ3 3.200 . 6.000 5.274 5.158 5.456 . 0 0 "[ . 1]" 1
1333 1 25 ARG HB3 1 44 TRP HZ3 4.000 . 6.000 4.345 3.875 4.776 . 0 0 "[ . 1]" 1
1334 1 34 LEU HB3 1 44 TRP HZ3 4.600 . 6.000 4.628 4.454 4.852 . 0 0 "[ . 1]" 1
1335 1 34 LEU HB2 1 44 TRP HZ2 3.500 . 5.000 3.254 3.094 3.469 . 0 0 "[ . 1]" 1
1336 1 25 ARG HB2 1 44 TRP HZ2 4.500 . 6.000 4.256 3.741 4.745 . 0 0 "[ . 1]" 1
1337 1 25 ARG HB3 1 44 TRP HZ2 4.200 . 6.000 4.308 3.752 4.841 . 0 0 "[ . 1]" 1
1338 1 27 SER QB 1 44 TRP HZ2 4.400 . 6.000 5.207 4.850 5.589 . 0 0 "[ . 1]" 1
1339 1 25 ARG HB2 1 44 TRP HH2 3.400 . 4.900 2.850 2.476 3.224 . 0 0 "[ . 1]" 1
1340 1 34 LEU HB2 1 44 TRP HH2 3.400 . 4.900 3.491 3.238 3.771 . 0 0 "[ . 1]" 1
1341 1 3 LEU HG 1 47 TRP HD1 3.700 . 5.400 3.978 2.739 5.165 . 0 0 "[ . 1]" 1
1342 1 47 TRP HD1 1 50 ILE HG12 5.400 . 6.000 5.277 5.054 5.630 . 0 0 "[ . 1]" 1
1343 1 33 CYS HB3 1 47 TRP HD1 4.400 . 6.000 4.771 3.272 5.296 . 0 0 "[ . 1]" 1
1344 1 47 TRP HB2 1 47 TRP HD1 3.600 . 5.300 3.683 3.616 3.732 . 0 0 "[ . 1]" 1
1345 1 47 TRP HB3 1 47 TRP HD1 3.700 . 5.400 3.553 3.483 3.626 . 0 0 "[ . 1]" 1
1346 1 32 SER QB 1 47 TRP HD1 3.400 . 5.200 4.708 4.441 4.866 . 0 0 "[ . 1]" 1
1347 1 47 TRP HB2 1 47 TRP HE3 2.900 . 3.900 2.818 2.717 2.940 . 0 0 "[ . 1]" 1
1348 1 31 GLN HB2 1 47 TRP HE3 3.300 . 6.000 4.690 3.633 5.210 . 0 0 "[ . 1]" 1
1349 1 31 GLN HG2 1 47 TRP HE3 3.400 . 4.900 3.839 3.008 4.734 . 0 0 "[ . 1]" 1
1350 1 31 GLN HB3 1 47 TRP HE3 3.400 . 4.800 3.802 3.272 4.269 . 0 0 "[ . 1]" 1
1351 1 3 LEU QD 1 47 TRP HE3 3.500 . 5.100 4.136 3.352 4.657 . 0 0 "[ . 1]" 1
1352 1 47 TRP HB3 1 47 TRP HZ3 3.300 . 6.000 5.342 5.248 5.430 . 0 0 "[ . 1]" 1
1353 1 28 SER HB2 1 47 TRP HZ2 3.400 . 4.900 4.309 3.740 4.661 . 0 0 "[ . 1]" 1
1354 1 31 GLN HB3 1 47 TRP HZ2 3.100 . 6.000 5.899 5.516 6.007 0.007 7 0 "[ . 1]" 1
1355 1 31 GLN HB3 1 47 TRP HH2 3.200 . 6.000 5.854 5.500 6.023 0.023 10 0 "[ . 1]" 1
1356 1 31 GLN HG2 1 47 TRP HH2 3.900 . 5.800 4.632 4.104 5.969 0.169 9 0 "[ . 1]" 1
1357 1 41 SER HB2 1 43 TYR QD 3.500 . 6.000 3.395 3.007 4.002 . 0 0 "[ . 1]" 1
1358 1 43 TYR HB3 1 43 TYR QD 2.500 . 3.300 2.492 2.388 2.560 . 0 0 "[ . 1]" 1
1359 1 43 TYR QD 1 45 VAL QG 3.900 . 5.800 4.411 4.259 4.760 . 0 0 "[ . 1]" 1
1360 1 13 TRP HZ3 1 43 TYR QD 4.100 . 6.000 3.852 3.206 4.311 . 0 0 "[ . 1]" 1
1361 1 42 LYS HA 1 43 TYR QD 3.500 . 6.000 4.071 3.746 4.229 . 0 0 "[ . 1]" 1
1362 1 43 TYR HB2 1 43 TYR QE 4.700 . 6.000 4.392 4.376 4.408 . 0 0 "[ . 1]" 1
1363 1 43 TYR HB3 1 43 TYR QE 4.200 . 6.000 4.440 4.404 4.461 . 0 0 "[ . 1]" 1
1364 1 37 PHE QD 1 42 LYS HA 3.200 . 4.500 3.691 3.234 3.912 . 0 0 "[ . 1]" 1
1365 1 36 THR HA 1 37 PHE QD 4.400 . 6.000 3.889 3.686 4.188 . 0 0 "[ . 1]" 1
1366 1 37 PHE HB2 1 37 PHE QD 2.400 . 3.100 2.347 2.295 2.379 . 0 0 "[ . 1]" 1
1367 1 21 GLY HA3 1 37 PHE QD 3.200 . 6.000 3.117 2.636 3.356 . 0 0 "[ . 1]" 1
1368 1 37 PHE QD 1 43 TYR HB3 5.300 . 6.000 5.397 5.084 5.710 . 0 0 "[ . 1]" 1
1369 1 35 VAL HB 1 37 PHE QD 3.700 . 5.400 4.416 4.060 4.693 . 0 0 "[ . 1]" 1
1370 1 35 VAL MG1 1 37 PHE QD 2.900 . 6.000 3.504 3.293 3.693 . 0 0 "[ . 1]" 1
1371 1 43 TYR HB2 1 43 TYR QD 2.700 . 3.600 2.324 2.292 2.394 . 0 0 "[ . 1]" 1
1372 1 37 PHE QE 1 43 TYR HB3 4.100 . 6.000 3.424 3.081 3.698 . 0 0 "[ . 1]" 1
1373 1 21 GLY HA2 1 37 PHE HA 2.700 . 3.600 2.085 1.774 2.413 0.026 4 0 "[ . 1]" 1
1374 1 21 GLY HA3 1 37 PHE HA 3.200 . 4.500 2.400 2.121 2.851 . 0 0 "[ . 1]" 1
1375 1 21 GLY HA3 1 35 VAL MG1 2.500 . 3.300 2.062 1.976 2.153 . 0 0 "[ . 1]" 1
1376 1 21 GLY HA2 1 37 PHE QD 3.800 . 5.600 3.761 3.250 4.053 . 0 0 "[ . 1]" 1
1377 1 21 GLY HA3 1 37 PHE QE 3.700 . 6.000 4.029 3.623 4.265 . 0 0 "[ . 1]" 1
1378 1 21 GLY HA2 1 37 PHE QE 4.600 . 6.000 5.295 4.949 5.576 . 0 0 "[ . 1]" 1
1379 1 37 PHE QE 1 42 LYS HA 3.900 . 5.800 4.374 3.948 4.664 . 0 0 "[ . 1]" 1
1380 1 36 THR HA 1 42 LYS HA 2.000 . 2.500 2.428 2.199 2.564 0.064 9 0 "[ . 1]" 1
1381 1 42 LYS HA 1 42 LYS HD2 4.400 . 6.000 4.637 4.259 4.964 . 0 0 "[ . 1]" 1
1382 1 42 LYS HA 1 42 LYS HB2 2.500 . 3.300 3.024 3.019 3.030 . 0 0 "[ . 1]" 1
1383 1 42 LYS HA 1 42 LYS HG2 2.600 . 3.500 2.656 2.463 2.826 . 0 0 "[ . 1]" 1
1384 1 34 LEU HG 1 42 LYS HA 4.100 . 6.000 4.504 4.089 5.991 . 0 0 "[ . 1]" 1
1385 1 34 LEU QD 1 42 LYS HA 4.800 . 5.300 3.477 3.192 3.638 . 0 0 "[ . 1]" 1
1386 1 37 PHE HA 1 37 PHE QE 2.900 . 6.000 4.604 4.554 4.663 . 0 0 "[ . 1]" 1
1387 1 35 VAL HB 1 37 PHE QE 3.100 . 4.300 3.484 2.997 3.917 . 0 0 "[ . 1]" 1
1388 1 37 PHE QE 1 45 VAL QG 3.200 . 6.000 3.142 2.885 3.388 . 0 0 "[ . 1]" 1
1389 1 35 VAL MG2 1 37 PHE QE 3.800 . 6.000 4.288 3.811 4.659 . 0 0 "[ . 1]" 1
1390 1 37 PHE QE 1 43 TYR QD 2.400 . 6.000 2.000 1.610 2.529 . 0 0 "[ . 1]" 1
1391 1 19 TYR QD 1 37 PHE QE 4.100 . 6.000 3.931 3.570 4.208 . 0 0 "[ . 1]" 1
1392 1 11 CYS HA 1 37 PHE HZ 4.900 . 6.000 5.328 5.011 5.580 . 0 0 "[ . 1]" 1
1393 1 11 CYS HB2 1 37 PHE HZ 3.100 . 4.300 2.846 2.350 3.729 . 0 0 "[ . 1]" 1
1394 1 35 VAL HB 1 37 PHE HZ 3.400 . 4.800 3.555 3.039 3.994 . 0 0 "[ . 1]" 1
1395 1 37 PHE HZ 1 45 VAL QG 2.700 . 6.000 2.278 1.907 2.527 . 0 0 "[ . 1]" 1
1396 1 35 VAL MG2 1 37 PHE HZ 4.000 . 6.000 4.232 3.628 4.774 . 0 0 "[ . 1]" 1
1397 1 13 TRP HD1 1 15 ASP HB3 4.900 . 6.000 4.635 2.875 5.315 . 0 0 "[ . 1]" 1
1398 1 13 TRP HD1 1 15 ASP HB2 3.900 . 5.800 3.435 2.227 4.051 . 0 0 "[ . 1]" 1
1399 1 13 TRP HA 1 13 TRP HE3 2.600 . 3.400 2.552 2.150 3.047 . 0 0 "[ . 1]" 1
1400 1 13 TRP HB2 1 13 TRP HE3 3.100 . 4.300 2.854 2.650 3.047 . 0 0 "[ . 1]" 1
1401 1 13 TRP HA 1 13 TRP HZ3 4.700 . 6.000 4.666 4.350 5.058 . 0 0 "[ . 1]" 1
1402 1 13 TRP HZ3 1 45 VAL QG 3.500 . 5.000 2.496 2.081 3.306 . 0 0 "[ . 1]" 1
1403 1 13 TRP HB3 1 13 TRP HD1 3.300 . 4.600 2.570 2.542 2.617 . 0 0 "[ . 1]" 1
1404 1 13 TRP HA 1 13 TRP HB2 2.900 . 4.000 2.620 2.549 2.703 . 0 0 "[ . 1]" 1
1405 2 5 VAL HB 2 5 VAL QG 2.000 . 2.500 1.895 1.892 1.898 . 0 0 "[ . 1]" 1
1406 2 7 LYS HD3 2 7 LYS HE3 2.300 . 2.900 2.560 2.405 3.019 0.119 9 0 "[ . 1]" 1
1407 2 8 PRO HD3 2 8 PRO HG3 2.200 . 2.800 2.296 2.262 2.322 . 0 0 "[ . 1]" 1
1408 2 7 LYS HB3 2 8 PRO HD3 3.300 . 4.600 4.039 3.270 4.555 . 0 0 "[ . 1]" 1
1409 2 8 PRO HB3 2 8 PRO HD3 3.400 . 4.900 3.526 3.023 4.046 . 0 0 "[ . 1]" 1
1410 2 8 PRO HB3 2 8 PRO HD2 3.300 . 4.700 3.898 3.877 3.944 . 0 0 "[ . 1]" 1
1411 2 7 LYS HB3 2 8 PRO HD2 2.700 . 3.600 3.532 2.224 4.405 0.805 7 2 "[ . +- 1]" 1
1412 2 8 PRO HD2 2 8 PRO HG3 2.700 . 3.600 2.867 2.719 2.999 . 0 0 "[ . 1]" 1
1413 2 10 ARG HA 2 10 ARG HG2 3.400 . 4.900 3.475 2.922 3.726 . 0 0 "[ . 1]" 1
1414 2 7 LYS HA 2 8 PRO HG3 4.400 . 6.000 4.172 3.789 4.494 . 0 0 "[ . 1]" 1
1415 2 7 LYS HA 2 7 LYS HB3 2.500 . 3.300 2.422 2.364 2.481 . 0 0 "[ . 1]" 1
1416 2 7 LYS HA 2 7 LYS QG 3.200 . 4.500 2.993 2.443 3.480 . 0 0 "[ . 1]" 1
1417 2 11 TYR H 2 11 TYR HB2 3.200 . 4.500 2.904 2.461 3.379 . 0 0 "[ . 1]" 1
1418 2 9 HIS H 2 9 HIS QB 3.400 . 4.600 2.703 2.298 3.332 . 0 0 "[ . 1]" 1
1419 2 9 HIS QB 2 9 HIS HD2 3.500 . 5.000 2.728 2.648 2.859 . 0 0 "[ . 1]" 1
1420 2 5 VAL H 2 5 VAL HB 3.300 . 4.700 3.282 2.552 3.837 . 0 0 "[ . 1]" 1
1421 2 5 VAL H 2 5 VAL QG 3.000 . 4.100 2.160 1.894 2.666 0.006 8 0 "[ . 1]" 1
1422 2 4 GLY HA3 2 5 VAL H 3.400 . 4.800 2.863 2.324 3.443 . 0 0 "[ . 1]" 1
1423 2 4 GLY HA2 2 5 VAL H 3.000 . 4.100 2.828 2.145 3.541 . 0 0 "[ . 1]" 1
1424 2 10 ARG HA 2 11 TYR H 2.200 . 2.800 2.343 2.135 2.574 . 0 0 "[ . 1]" 1
1425 2 11 TYR H 2 11 TYR HA 2.900 . 4.000 2.857 2.260 2.945 . 0 0 "[ . 1]" 1
1426 2 8 PRO HA 2 9 HIS H 2.800 . 3.800 2.198 2.126 2.257 . 0 0 "[ . 1]" 1
1427 2 11 TYR H 2 11 TYR HB3 2.800 . 3.800 3.157 2.381 3.789 . 0 0 "[ . 1]" 1
1428 2 11 TYR HB2 2 11 TYR QD 2.700 . 3.600 2.483 2.278 2.676 . 0 0 "[ . 1]" 1
1429 2 7 LYS H 2 7 LYS HB3 3.500 . 5.000 3.306 2.732 3.836 . 0 0 "[ . 1]" 1
1430 2 7 LYS H 2 7 LYS QG 3.700 . 5.400 2.379 1.953 3.151 0.047 6 0 "[ . 1]" 1
1431 2 10 ARG HB2 2 11 TYR H 4.200 . 6.000 4.033 3.470 4.533 . 0 0 "[ . 1]" 1
1432 2 10 ARG HB3 2 11 TYR H 3.600 . 5.200 3.129 2.004 4.308 . 0 0 "[ . 1]" 1
1433 2 10 ARG QG 2 11 TYR H 4.300 . 6.000 3.947 3.295 4.783 . 0 0 "[ . 1]" 1
1434 2 9 HIS QB 2 10 ARG QD 2.700 . 6.000 4.701 3.948 5.427 . 0 0 "[ . 1]" 1
1435 2 9 HIS HA 2 10 ARG H 3.200 . 4.500 2.625 2.172 3.396 . 0 0 "[ . 1]" 1
1436 2 11 TYR H 2 11 TYR QD 3.900 . 5.800 4.021 3.027 4.535 . 0 0 "[ . 1]" 1
1437 1 3 LEU HB2 1 3 LEU QD 2.700 . 3.600 2.045 2.023 2.072 . 0 0 "[ . 1]" 1
1438 1 3 LEU QD 1 23 ILE HB 4.600 . 6.000 4.032 3.984 4.096 . 0 0 "[ . 1]" 1
1439 1 22 LYS HG2 1 24 LYS HB2 2.800 . 3.800 2.886 2.491 3.689 . 0 0 "[ . 1]" 1
1440 1 22 LYS HG2 1 24 LYS QG 3.300 . 4.700 3.499 3.117 3.989 . 0 0 "[ . 1]" 1
1441 1 23 ILE MD 1 33 CYS HA 3.200 . 6.000 3.492 3.079 3.682 . 0 0 "[ . 1]" 1
1442 1 35 VAL MG2 1 45 VAL HB 2.700 . 6.000 2.757 2.579 2.857 . 0 0 "[ . 1]" 1
1443 1 24 LYS HE2 1 36 THR HB 4.000 . 6.000 4.499 3.268 5.816 . 0 0 "[ . 1]" 1
1444 1 24 LYS HE2 1 36 THR MG 3.300 . 6.000 4.102 3.157 5.047 . 0 0 "[ . 1]" 1
1445 1 22 LYS HB2 1 36 THR HB 3.400 . 4.900 3.685 3.439 3.918 . 0 0 "[ . 1]" 1
1446 1 5 GLU HA 1 23 ILE MD 3.400 . 4.800 3.452 2.985 3.740 . 0 0 "[ . 1]" 1
1447 1 4 THR HA 1 5 GLU HA 3.800 . 5.600 3.900 3.731 4.025 . 0 0 "[ . 1]" 1
1448 1 3 LEU HA 1 3 LEU HB3 2.500 . 3.300 2.413 2.345 2.505 . 0 0 "[ . 1]" 1
1449 1 12 ARG HB3 1 49 ASP HB2 3.900 . 5.800 3.513 3.333 3.925 . 0 0 "[ . 1]" 1
1450 1 19 TYR HA 1 19 TYR HB2 3.200 . 4.500 2.695 2.693 2.698 . 0 0 "[ . 1]" 1
1451 1 24 LYS QG 1 34 LEU QD 3.000 . 4.100 2.492 2.316 2.663 . 0 0 "[ . 1]" 1
1452 1 36 THR HA 1 42 LYS HB2 3.900 . 5.800 4.193 4.038 4.263 . 0 0 "[ . 1]" 1
1453 1 22 LYS HB2 1 36 THR HB 4.500 . 6.000 4.390 4.249 4.645 . 0 0 "[ . 1]" 1
1454 1 11 CYS HB2 1 45 VAL MG2 3.200 . 4.500 2.770 2.519 2.984 . 0 0 "[ . 1]" 1
1455 1 3 LEU QD 1 50 ILE HB 3.800 . 5.600 2.626 2.149 3.231 . 0 0 "[ . 1]" 1
1456 1 3 LEU QD 1 50 ILE MG 2.300 . 6.000 1.840 1.697 2.010 . 0 0 "[ . 1]" 1
1457 1 7 GLN HB3 1 23 ILE MD 3.300 . 4.700 3.436 3.169 3.591 . 0 0 "[ . 1]" 1
1458 1 55 VAL HA 1 56 PRO HD2 2.600 . 3.500 2.427 2.011 2.731 . 0 0 "[ . 1]" 1
1459 1 29 SER QB 1 30 LYS HB3 3.700 . 5.400 3.333 2.644 3.992 . 0 0 "[ . 1]" 1
1460 1 29 SER QB 1 30 LYS HB2 3.500 . 5.000 3.444 2.859 3.985 . 0 0 "[ . 1]" 1
1461 1 27 SER QB 1 44 TRP HZ3 3.300 . 4.600 2.227 1.947 2.633 0.053 3 0 "[ . 1]" 1
1462 1 13 TRP HB2 1 17 LEU H 4.100 . 6.000 3.391 2.757 3.782 . 0 0 "[ . 1]" 1
1463 1 2 LYS HG3 1 3 LEU H 2.400 . 3.100 2.365 2.276 2.568 . 0 0 "[ . 1]" 1
1464 1 3 LEU HA 1 4 THR H 2.100 . 2.700 2.123 2.069 2.270 . 0 0 "[ . 1]" 1
1465 1 3 LEU HG 1 4 THR H 3.400 . 4.900 3.800 3.727 3.850 . 0 0 "[ . 1]" 1
1466 1 3 LEU HG 1 7 GLN HE21 4.100 . 6.000 4.492 3.693 4.855 . 0 0 "[ . 1]" 1
1467 1 3 LEU HG 1 7 GLN HE22 3.500 . 5.100 4.524 4.115 4.756 . 0 0 "[ . 1]" 1
1468 1 3 LEU HB3 1 5 GLU H 3.100 . 6.000 4.641 4.379 4.922 . 0 0 "[ . 1]" 1
1469 1 6 GLY H 1 7 GLN HB2 2.800 . 3.800 2.806 2.620 3.037 . 0 0 "[ . 1]" 1
1470 1 6 GLY HA2 1 7 GLN H 2.400 . 3.100 2.711 2.685 2.739 . 0 0 "[ . 1]" 1
1471 1 7 GLN H 1 23 ILE HG12 3.200 . 4.500 3.117 3.018 3.283 . 0 0 "[ . 1]" 1
1472 1 7 GLN H 1 8 TYR H 3.100 . 4.300 3.388 3.116 3.635 . 0 0 "[ . 1]" 1
1473 1 8 TYR H 1 9 VAL HA 4.400 . 6.000 4.327 4.301 4.353 . 0 0 "[ . 1]" 1
1474 1 8 TYR H 1 9 VAL MG1 4.300 . 6.000 3.932 3.848 4.037 . 0 0 "[ . 1]" 1
1475 1 9 VAL H 1 10 LEU HA 3.800 . 5.600 4.190 4.077 4.281 . 0 0 "[ . 1]" 1
1476 1 9 VAL H 1 9 VAL MG1 2.800 . 3.700 2.998 2.900 3.115 . 0 0 "[ . 1]" 1
1477 1 9 VAL H 1 10 LEU QB 4.500 . 6.000 4.623 4.213 5.129 . 0 0 "[ . 1]" 1
1478 1 11 CYS H 1 18 TYR QD 4.300 . 6.000 3.937 3.592 4.081 . 0 0 "[ . 1]" 1
1479 1 11 CYS H 1 20 LEU HB2 3.900 . 5.800 5.363 5.126 5.756 . 0 0 "[ . 1]" 1
1480 1 11 CYS H 1 20 LEU QD 4.600 . 6.000 4.165 4.035 4.351 . 0 0 "[ . 1]" 1
1481 1 12 ARG H 1 13 TRP H 4.200 . 6.000 3.847 3.653 3.997 . 0 0 "[ . 1]" 1
1482 1 12 ARG H 1 18 TYR QD 3.700 . 5.400 3.731 3.417 4.256 . 0 0 "[ . 1]" 1
1483 1 11 CYS HB2 1 12 ARG H 3.400 . 4.900 3.557 3.454 3.681 . 0 0 "[ . 1]" 1
1484 1 11 CYS HB3 1 12 ARG H 3.200 . 4.500 2.599 2.428 2.841 . 0 0 "[ . 1]" 1
1485 1 15 ASP HA 1 16 GLY H 3.300 . 4.600 3.296 3.199 3.340 . 0 0 "[ . 1]" 1
1486 1 12 ARG HG3 1 16 GLY H 4.100 . 6.000 3.907 3.503 4.080 . 0 0 "[ . 1]" 1
1487 1 12 ARG HG2 1 16 GLY H 3.900 . 5.800 3.596 3.387 3.988 . 0 0 "[ . 1]" 1
1488 1 18 TYR HB2 1 19 TYR H 3.100 . 4.300 2.605 2.506 2.706 . 0 0 "[ . 1]" 1
1489 1 21 GLY HA2 1 22 LYS H 2.300 . 3.000 2.308 2.265 2.332 . 0 0 "[ . 1]" 1
1490 1 22 LYS H 1 22 LYS HG2 4.200 . 6.000 4.083 4.008 4.142 . 0 0 "[ . 1]" 1
1491 1 8 TYR QD 1 22 LYS H 4.800 . 6.000 4.621 4.413 5.063 . 0 0 "[ . 1]" 1
1492 1 22 LYS H 1 23 ILE H 4.200 . 6.000 4.032 3.987 4.068 . 0 0 "[ . 1]" 1
1493 1 6 GLY HA2 1 23 ILE H 4.100 . 6.000 4.158 4.053 4.254 . 0 0 "[ . 1]" 1
1494 1 22 LYS HG2 1 23 ILE H 2.200 . 2.800 2.142 2.055 2.229 . 0 0 "[ . 1]" 1
1495 1 23 ILE H 1 24 LYS H 4.900 . 6.000 4.056 4.021 4.097 . 0 0 "[ . 1]" 1
1496 1 24 LYS H 1 24 LYS HA 2.600 . 3.400 2.477 2.398 2.593 . 0 0 "[ . 1]" 1
1497 1 23 ILE MG 1 24 LYS H 2.800 . 3.800 2.883 2.721 3.000 . 0 0 "[ . 1]" 1
1498 1 23 ILE MG 1 25 ARG H 2.500 . 3.300 2.822 2.612 2.986 . 0 0 "[ . 1]" 1
1499 1 27 SER H 1 32 SER H 3.600 . 5.300 3.624 3.310 3.833 . 0 0 "[ . 1]" 1
1500 1 28 SER HB2 1 32 SER H 4.100 . 6.000 5.927 5.801 6.041 0.041 1 0 "[ . 1]" 1
1501 1 31 GLN HA 1 32 SER H 2.900 . 4.000 2.517 2.383 2.696 . 0 0 "[ . 1]" 1
1502 1 32 SER HA 1 33 CYS H 2.600 . 3.400 2.270 2.196 2.342 . 0 0 "[ . 1]" 1
1503 1 25 ARG H 1 34 LEU H 2.900 . 4.000 3.166 3.031 3.328 . 0 0 "[ . 1]" 1
1504 1 34 LEU HG 1 35 VAL H 2.700 . 3.600 2.457 2.357 2.511 . 0 0 "[ . 1]" 1
1505 1 34 LEU H 1 35 VAL H 3.100 . 4.300 2.802 2.668 2.924 . 0 0 "[ . 1]" 1
1506 1 21 GLY HA2 1 36 THR H 4.600 . 6.000 4.213 4.138 4.305 . 0 0 "[ . 1]" 1
1507 1 22 LYS HB2 1 36 THR H 3.600 . 5.300 3.544 3.444 3.662 . 0 0 "[ . 1]" 1
1508 1 22 LYS HG2 1 36 THR H 3.900 . 5.800 3.757 3.690 3.811 . 0 0 "[ . 1]" 1
1509 1 36 THR H 1 37 PHE H 3.900 . 5.800 3.873 3.771 3.963 . 0 0 "[ . 1]" 1
1510 1 35 VAL HA 1 37 PHE H 3.700 . 5.500 4.270 4.126 4.553 . 0 0 "[ . 1]" 1
1511 1 37 PHE HB3 1 39 ASP H 2.800 . 3.800 2.443 2.247 2.882 . 0 0 "[ . 1]" 1
1512 1 39 ASP H 1 40 ASN H 2.200 . 2.800 2.313 2.227 2.431 . 0 0 "[ . 1]" 1
1513 1 39 ASP HB2 1 40 ASN H 2.900 . 3.900 3.288 3.127 3.726 . 0 0 "[ . 1]" 1
1514 1 37 PHE HB3 1 41 SER H 3.500 . 5.100 3.616 3.379 3.751 . 0 0 "[ . 1]" 1
1515 1 36 THR HA 1 43 TYR H 3.500 . 5.100 3.757 3.514 3.893 . 0 0 "[ . 1]" 1
1516 1 34 LEU HG 1 43 TYR H 3.700 . 5.400 3.987 3.790 4.441 . 0 0 "[ . 1]" 1
1517 1 46 LEU HA 1 47 TRP H 3.300 . 4.700 2.177 2.137 2.224 . 0 0 "[ . 1]" 1
1518 1 18 TYR QD 1 51 GLN H 3.600 . 5.200 3.982 3.323 4.557 . 0 0 "[ . 1]" 1
1519 1 50 ILE HB 1 51 GLN H 2.700 . 3.600 2.712 2.487 3.098 . 0 0 "[ . 1]" 1
1520 1 9 VAL MG2 1 51 GLN H 4.100 . 6.000 4.049 3.847 4.165 . 0 0 "[ . 1]" 1
1521 1 50 ILE HG12 1 51 GLN H 3.000 . 4.100 3.012 2.594 3.531 . 0 0 "[ . 1]" 1
1522 1 55 VAL HA 1 57 GLY H 2.800 . 3.800 2.962 2.146 3.443 . 0 0 "[ . 1]" 1
1523 1 1 SER HA 1 2 LYS H 3.000 . 4.200 2.200 2.090 2.640 . 0 0 "[ . 1]" 1
1524 1 32 SER QB 1 45 VAL H 3.500 . 5.000 3.366 3.082 3.781 . 0 0 "[ . 1]" 1
1525 1 36 THR HA 1 36 THR HB 2.600 . 3.400 2.590 2.384 2.698 . 0 0 "[ . 1]" 1
1526 1 17 LEU MD1 1 17 LEU HG 2.100 . 2.600 1.946 1.889 1.958 . 0 0 "[ . 1]" 1
1527 1 3 LEU QD 1 52 HIS HD2 3.600 . 5.200 3.362 3.008 3.723 . 0 0 "[ . 1]" 1
1528 1 9 VAL MG1 1 52 HIS HE2 3.900 . 5.800 4.156 3.791 4.293 . 0 0 "[ . 1]" 1
1529 1 9 VAL MG1 1 52 HIS HD2 3.200 . 4.500 2.942 2.593 4.044 . 0 0 "[ . 1]" 1
1530 1 23 ILE MD 1 33 CYS HB3 2.900 . 4.000 2.780 1.889 3.157 . 0 0 "[ . 1]" 1
1531 1 23 ILE MD 1 33 CYS HB2 2.800 . 3.800 2.281 2.025 2.946 . 0 0 "[ . 1]" 1
1532 1 27 SER QB 1 44 TRP HZ3 2.900 . 3.900 2.239 1.949 2.698 . 0 0 "[ . 1]" 1
1533 1 13 TRP HB2 1 19 TYR QD 2.300 . 6.000 2.147 1.878 2.264 . 0 0 "[ . 1]" 1
1534 1 46 LEU HB3 1 47 TRP HD1 4.200 . 6.000 3.758 3.389 4.074 . 0 0 "[ . 1]" 1
1535 1 34 LEU HA 1 42 LYS HA 3.700 . 5.400 4.215 4.117 4.350 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 137
_Distance_constraint_stats_list.Viol_total 44.612
_Distance_constraint_stats_list.Viol_max 0.112
_Distance_constraint_stats_list.Viol_rms 0.0210
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.0326
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLN 0.159 0.056 8 0 "[ . 1]"
1 9 VAL 0.149 0.040 3 0 "[ . 1]"
1 10 LEU 0.889 0.112 7 0 "[ . 1]"
1 11 CYS 0.523 0.053 9 0 "[ . 1]"
1 13 TRP 0.234 0.066 8 0 "[ . 1]"
1 17 LEU 0.234 0.066 8 0 "[ . 1]"
1 19 TYR 0.523 0.053 9 0 "[ . 1]"
1 21 GLY 0.149 0.040 3 0 "[ . 1]"
1 22 LYS 0.704 0.064 2 0 "[ . 1]"
1 23 ILE 0.159 0.056 8 0 "[ . 1]"
1 24 LYS 0.433 0.080 10 0 "[ . 1]"
1 25 ARG 1.040 0.096 3 0 "[ . 1]"
1 31 GLN 0.018 0.018 3 0 "[ . 1]"
1 33 CYS 0.082 0.035 9 0 "[ . 1]"
1 34 LEU 1.473 0.096 3 0 "[ . 1]"
1 35 VAL 0.089 0.034 10 0 "[ . 1]"
1 36 THR 0.704 0.064 2 0 "[ . 1]"
1 37 PHE 0.062 0.031 2 0 "[ . 1]"
1 41 SER 0.062 0.031 2 0 "[ . 1]"
1 43 TYR 0.089 0.034 10 0 "[ . 1]"
1 45 VAL 0.082 0.035 9 0 "[ . 1]"
1 46 LEU 0.000 0.000 . 0 "[ . 1]"
1 47 TRP 0.097 0.046 5 0 "[ . 1]"
1 49 ASP 0.000 0.000 . 0 "[ . 1]"
1 50 ILE 0.079 0.046 5 0 "[ . 1]"
1 51 GLN 0.889 0.112 7 0 "[ . 1]"
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 9 VAL H 1 21 GLY O 1.800 . 2.300 1.819 1.786 1.868 0.014 3 0 "[ . 1]" 2
2 1 9 VAL N 1 21 GLY O 2.800 2.800 3.300 2.792 2.760 2.827 0.040 3 0 "[ . 1]" 2
3 1 10 LEU H 1 51 GLN O 1.800 . 2.300 1.833 1.752 1.982 0.048 9 0 "[ . 1]" 2
4 1 10 LEU N 1 51 GLN O 2.800 2.800 3.300 2.725 2.688 2.762 0.112 7 0 "[ . 1]" 2
5 1 11 CYS H 1 19 TYR O 1.800 . 2.300 1.806 1.771 1.841 0.029 9 0 "[ . 1]" 2
6 1 11 CYS N 1 19 TYR O 2.800 2.800 3.300 2.765 2.747 2.788 0.053 9 0 "[ . 1]" 2
7 1 13 TRP H 1 17 LEU O 1.800 . 2.300 1.882 1.793 2.009 0.007 2 0 "[ . 1]" 2
8 1 13 TRP N 1 17 LEU O 2.800 2.800 3.300 2.799 2.734 2.874 0.066 8 0 "[ . 1]" 2
9 1 11 CYS O 1 19 TYR H 1.800 . 2.300 1.895 1.831 2.100 . 0 0 "[ . 1]" 2
10 1 11 CYS O 1 19 TYR N 2.800 2.800 3.300 2.795 2.778 2.828 0.022 6 0 "[ . 1]" 2
11 1 9 VAL O 1 21 GLY H 1.800 . 2.300 2.050 1.909 2.170 . 0 0 "[ . 1]" 2
12 1 9 VAL O 1 21 GLY N 2.800 2.800 3.300 2.976 2.866 3.083 . 0 0 "[ . 1]" 2
13 1 22 LYS H 1 36 THR O 1.800 . 2.300 1.849 1.792 1.973 0.008 2 0 "[ . 1]" 2
14 1 22 LYS N 1 36 THR O 2.800 2.800 3.300 2.816 2.756 2.953 0.044 2 0 "[ . 1]" 2
15 1 7 GLN O 1 23 ILE H 1.800 . 2.300 1.860 1.783 1.966 0.017 8 0 "[ . 1]" 2
16 1 7 GLN O 1 23 ILE N 2.800 2.800 3.300 2.817 2.744 2.932 0.056 8 0 "[ . 1]" 2
17 1 24 LYS H 1 34 LEU O 1.800 . 2.300 1.836 1.791 1.944 0.009 10 0 "[ . 1]" 2
18 1 24 LYS N 1 34 LEU O 2.800 2.800 3.300 2.768 2.720 2.853 0.080 10 0 "[ . 1]" 2
19 1 25 ARG H 1 34 LEU O 1.800 . 2.300 2.325 2.212 2.396 0.096 3 0 "[ . 1]" 2
20 1 25 ARG N 1 34 LEU O 2.800 2.800 3.300 3.265 3.148 3.340 0.040 3 0 "[ . 1]" 2
21 1 33 CYS H 1 45 VAL O 1.800 . 2.300 1.873 1.797 1.951 0.003 9 0 "[ . 1]" 2
22 1 33 CYS N 1 45 VAL O 2.800 2.800 3.300 2.815 2.765 2.890 0.035 9 0 "[ . 1]" 2
23 1 25 ARG O 1 34 LEU H 1.800 . 2.300 1.857 1.767 1.952 0.033 2 0 "[ . 1]" 2
24 1 25 ARG O 1 34 LEU N 2.800 2.800 3.300 2.742 2.720 2.803 0.080 2 0 "[ . 1]" 2
25 1 35 VAL H 1 43 TYR O 1.800 . 2.300 1.830 1.802 1.893 . 0 0 "[ . 1]" 2
26 1 35 VAL N 1 43 TYR O 2.800 2.800 3.300 2.805 2.766 2.859 0.034 10 0 "[ . 1]" 2
27 1 22 LYS O 1 36 THR H 1.800 . 2.300 1.778 1.755 1.795 0.045 2 0 "[ . 1]" 2
28 1 22 LYS O 1 36 THR N 2.800 2.800 3.300 2.762 2.736 2.780 0.064 2 0 "[ . 1]" 2
29 1 37 PHE H 1 41 SER O 1.800 . 2.300 2.068 1.835 2.331 0.031 2 0 "[ . 1]" 2
30 1 37 PHE N 1 41 SER O 2.800 2.800 3.300 3.014 2.794 3.272 0.006 10 0 "[ . 1]" 2
31 1 35 VAL O 1 43 TYR H 1.800 . 2.300 2.083 1.912 2.235 . 0 0 "[ . 1]" 2
32 1 35 VAL O 1 43 TYR N 2.800 2.800 3.300 3.011 2.870 3.146 . 0 0 "[ . 1]" 2
33 1 33 CYS O 1 45 VAL H 1.800 . 2.300 1.965 1.847 2.090 . 0 0 "[ . 1]" 2
34 1 33 CYS O 1 45 VAL N 2.800 2.800 3.300 2.900 2.805 2.986 . 0 0 "[ . 1]" 2
35 1 31 GLN O 1 47 TRP H 1.800 . 2.300 1.966 1.805 2.163 . 0 0 "[ . 1]" 2
36 1 31 GLN O 1 47 TRP N 2.800 2.800 3.300 2.922 2.782 3.108 0.018 3 0 "[ . 1]" 2
37 1 46 LEU O 1 49 ASP H 1.800 . 2.300 1.973 1.883 2.182 . 0 0 "[ . 1]" 2
38 1 46 LEU O 1 49 ASP N 2.800 2.800 3.300 2.897 2.810 3.142 . 0 0 "[ . 1]" 2
39 1 47 TRP O 1 50 ILE H 1.800 . 2.300 2.248 2.083 2.346 0.046 5 0 "[ . 1]" 2
40 1 47 TRP O 1 50 ILE N 2.800 2.800 3.300 3.162 3.019 3.208 . 0 0 "[ . 1]" 2
stop_
save_
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