NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450957 |
2rng   |
11022 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rng
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 1028
_Distance_constraint_stats_list.Viol_count 2070
_Distance_constraint_stats_list.Viol_total 2445.943
_Distance_constraint_stats_list.Viol_max 0.272
_Distance_constraint_stats_list.Viol_rms 0.0185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.018 0.018 15 0 "[ . 1 . 2 .]"
1 3 LEU 0.188 0.069 15 0 "[ . 1 . 2 .]"
1 4 ILE 0.414 0.089 7 0 "[ . 1 . 2 .]"
1 5 PRO 2.172 0.093 17 0 "[ . 1 . 2 .]"
1 6 ALA 4.907 0.175 9 0 "[ . 1 . 2 .]"
1 7 ILE 5.612 0.237 3 0 "[ . 1 . 2 .]"
1 8 TYR 3.900 0.096 5 0 "[ . 1 . 2 .]"
1 9 ILE 2.988 0.145 24 0 "[ . 1 . 2 .]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 ALA 2.365 0.145 24 0 "[ . 1 . 2 .]"
1 12 THR 2.038 0.117 22 0 "[ . 1 . 2 .]"
1 13 VAL 3.661 0.156 18 0 "[ . 1 . 2 .]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 PRO 0.125 0.023 17 0 "[ . 1 . 2 .]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 VAL 0.908 0.045 23 0 "[ . 1 . 2 .]"
1 18 TRP 1.541 0.067 14 0 "[ . 1 . 2 .]"
1 19 ALA 2.395 0.069 15 0 "[ . 1 . 2 .]"
1 20 TYR 2.337 0.070 5 0 "[ . 1 . 2 .]"
1 21 LEU 4.025 0.231 13 0 "[ . 1 . 2 .]"
1 22 VAL 1.726 0.074 11 0 "[ . 1 . 2 .]"
1 23 ALA 2.175 0.074 11 0 "[ . 1 . 2 .]"
1 24 LEU 2.107 0.103 8 0 "[ . 1 . 2 .]"
1 25 VAL 6.565 0.265 23 0 "[ . 1 . 2 .]"
1 26 GLY 0.384 0.027 23 0 "[ . 1 . 2 .]"
1 27 ALA 2.474 0.107 3 0 "[ . 1 . 2 .]"
1 28 ALA 4.366 0.100 13 0 "[ . 1 . 2 .]"
1 29 ALA 7.139 0.265 23 0 "[ . 1 . 2 .]"
1 30 VAL 1.507 0.138 3 0 "[ . 1 . 2 .]"
1 31 THR 1.551 0.082 25 0 "[ . 1 . 2 .]"
1 32 ALA 0.028 0.013 9 0 "[ . 1 . 2 .]"
1 33 ALA 0.665 0.143 19 0 "[ . 1 . 2 .]"
1 34 ASN 0.432 0.053 10 0 "[ . 1 . 2 .]"
1 35 ILE 3.122 0.231 13 0 "[ . 1 . 2 .]"
1 36 ARG 0.063 0.017 6 0 "[ . 1 . 2 .]"
1 37 ARG 0.110 0.021 8 0 "[ . 1 . 2 .]"
1 38 ALA 0.840 0.076 6 0 "[ . 1 . 2 .]"
1 39 SER 0.408 0.047 21 0 "[ . 1 . 2 .]"
1 40 SER 0.553 0.048 12 0 "[ . 1 . 2 .]"
1 41 ASP 0.316 0.048 12 0 "[ . 1 . 2 .]"
1 42 ASN 0.065 0.023 5 0 "[ . 1 . 2 .]"
1 43 HIS 11.640 0.214 18 0 "[ . 1 . 2 .]"
1 44 SER 0.914 0.055 21 0 "[ . 1 . 2 .]"
1 45 CYS 3.602 0.122 24 0 "[ . 1 . 2 .]"
1 46 ALA 2.410 0.122 24 0 "[ . 1 . 2 .]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 ASN 3.248 0.136 2 0 "[ . 1 . 2 .]"
1 49 ARG 3.606 0.109 19 0 "[ . 1 . 2 .]"
1 50 GLY 2.688 0.109 10 0 "[ . 1 . 2 .]"
1 51 TRP 1.680 0.100 10 0 "[ . 1 . 2 .]"
1 52 CYS 2.445 0.085 4 0 "[ . 1 . 2 .]"
1 53 ARG 3.096 0.148 6 0 "[ . 1 . 2 .]"
1 54 SER 2.047 0.076 4 0 "[ . 1 . 2 .]"
1 55 LYS 7.561 0.272 16 0 "[ . 1 . 2 .]"
1 56 CYS 2.445 0.197 16 0 "[ . 1 . 2 .]"
1 57 PHE 0.920 0.041 20 0 "[ . 1 . 2 .]"
1 58 ARG 5.293 0.130 14 0 "[ . 1 . 2 .]"
1 59 HIS 0.545 0.038 14 0 "[ . 1 . 2 .]"
1 60 GLU 4.996 0.222 12 0 "[ . 1 . 2 .]"
1 61 TYR 1.933 0.145 5 0 "[ . 1 . 2 .]"
1 62 VAL 2.691 0.145 5 0 "[ . 1 . 2 .]"
1 63 ASP 0.917 0.115 5 0 "[ . 1 . 2 .]"
1 64 THR 0.590 0.052 5 0 "[ . 1 . 2 .]"
1 65 TYR 1.261 0.075 24 0 "[ . 1 . 2 .]"
1 66 TYR 1.328 0.075 24 0 "[ . 1 . 2 .]"
1 67 SER 0.290 0.036 3 0 "[ . 1 . 2 .]"
1 68 ALA 1.983 0.237 3 0 "[ . 1 . 2 .]"
1 69 VAL 6.983 0.214 18 0 "[ . 1 . 2 .]"
1 70 CYS 0.301 0.051 10 0 "[ . 1 . 2 .]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 72 ARG 0.286 0.028 24 0 "[ . 1 . 2 .]"
1 73 TYR 0.437 0.028 24 0 "[ . 1 . 2 .]"
1 74 PHE 0.929 0.092 2 0 "[ . 1 . 2 .]"
1 75 CYS 0.418 0.036 3 0 "[ . 1 . 2 .]"
1 76 CYS 5.566 0.233 2 0 "[ . 1 . 2 .]"
1 77 ARG 3.042 0.233 2 0 "[ . 1 . 2 .]"
1 78 SER 1.238 0.109 10 0 "[ . 1 . 2 .]"
1 79 ARG 0.050 0.028 4 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 LEU H 2.300 . 2.800 2.354 2.217 2.818 0.018 15 0 "[ . 1 . 2 .]" 1
2 1 2 PRO HB3 1 3 LEU H 3.400 . 5.000 3.948 3.207 4.557 . 0 0 "[ . 1 . 2 .]" 1
3 1 2 PRO HB2 1 3 LEU H 3.400 . 5.000 3.321 1.890 4.237 . 0 0 "[ . 1 . 2 .]" 1
4 1 2 PRO QG 1 3 LEU H 4.050 . 6.300 4.494 3.546 4.787 . 0 0 "[ . 1 . 2 .]" 1
5 1 3 LEU HA 1 3 LEU HB2 2.650 . 3.500 2.738 2.318 2.930 . 0 0 "[ . 1 . 2 .]" 1
6 1 3 LEU HA 1 3 LEU MD1 3.650 . 5.500 3.507 2.847 4.120 . 0 0 "[ . 1 . 2 .]" 1
7 1 3 LEU HA 1 3 LEU MD2 2.900 . 4.000 2.688 1.844 3.323 . 0 0 "[ . 1 . 2 .]" 1
8 1 3 LEU HA 1 3 LEU HG 3.400 . 5.000 2.470 1.926 3.728 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 LEU HA 1 4 ILE H 2.300 . 2.800 2.604 2.230 2.841 0.041 19 0 "[ . 1 . 2 .]" 1
10 1 3 LEU H 1 3 LEU MD1 3.650 . 5.500 3.952 2.873 4.486 . 0 0 "[ . 1 . 2 .]" 1
11 1 3 LEU H 1 3 LEU MD2 3.650 . 5.500 4.014 1.731 4.571 0.069 15 0 "[ . 1 . 2 .]" 1
12 1 3 LEU MD2 1 4 ILE MD 4.400 . 7.000 4.412 3.537 4.763 . 0 0 "[ . 1 . 2 .]" 1
13 1 4 ILE HA 1 21 LEU MD2 4.150 . 6.500 4.618 4.043 5.083 . 0 0 "[ . 1 . 2 .]" 1
14 1 4 ILE HA 1 4 ILE MD 3.650 . 5.500 2.230 1.794 3.689 0.006 2 0 "[ . 1 . 2 .]" 1
15 1 4 ILE H 1 4 ILE HA 2.650 . 3.500 2.850 2.748 2.959 . 0 0 "[ . 1 . 2 .]" 1
16 1 4 ILE HA 1 5 PRO HD2 2.650 . 3.500 2.360 2.211 2.579 . 0 0 "[ . 1 . 2 .]" 1
17 1 4 ILE HB 1 25 VAL MG1 3.650 . 5.500 4.238 3.363 4.449 . 0 0 "[ . 1 . 2 .]" 1
18 1 4 ILE H 1 4 ILE HB 2.300 . 2.800 2.102 1.945 2.272 . 0 0 "[ . 1 . 2 .]" 1
19 1 4 ILE H 1 4 ILE MD 3.650 . 5.500 3.702 1.998 4.077 . 0 0 "[ . 1 . 2 .]" 1
20 1 4 ILE H 1 4 ILE QG 3.550 . 5.300 2.728 2.275 3.528 . 0 0 "[ . 1 . 2 .]" 1
21 1 4 ILE MG 1 21 LEU MD1 4.400 . 7.000 3.215 2.924 3.785 . 0 0 "[ . 1 . 2 .]" 1
22 1 4 ILE MG 1 21 LEU MD2 3.900 . 6.000 3.164 2.594 3.874 . 0 0 "[ . 1 . 2 .]" 1
23 1 4 ILE MG 1 6 ALA H 3.650 . 5.500 4.514 4.446 4.551 . 0 0 "[ . 1 . 2 .]" 1
24 1 4 ILE MG 1 8 TYR H 3.650 . 5.500 4.239 3.853 4.563 . 0 0 "[ . 1 . 2 .]" 1
25 1 5 PRO HA 1 6 ALA H 2.300 . 2.800 2.535 2.379 2.838 0.038 20 0 "[ . 1 . 2 .]" 1
26 1 5 PRO HB3 1 6 ALA H 2.650 . 3.500 3.464 3.200 3.590 0.090 6 0 "[ . 1 . 2 .]" 1
27 1 5 PRO HB3 1 7 ILE MG 3.650 . 5.500 3.166 2.951 3.563 . 0 0 "[ . 1 . 2 .]" 1
28 1 5 PRO HB3 1 7 ILE H 3.400 . 5.000 4.233 3.999 4.621 . 0 0 "[ . 1 . 2 .]" 1
29 1 5 PRO HB3 1 8 TYR QE 3.650 . 5.500 4.760 4.008 5.278 . 0 0 "[ . 1 . 2 .]" 1
30 1 5 PRO HB2 1 6 ALA H 3.400 . 5.000 2.478 1.840 2.786 . 0 0 "[ . 1 . 2 .]" 1
31 1 5 PRO HB2 1 7 ILE MG 3.650 . 5.500 1.890 1.707 2.271 0.093 17 0 "[ . 1 . 2 .]" 1
32 1 5 PRO HB2 1 7 ILE H 3.400 . 5.000 2.563 2.303 3.021 . 0 0 "[ . 1 . 2 .]" 1
33 1 5 PRO HB2 1 8 TYR QE 3.650 . 5.500 4.613 3.834 5.110 . 0 0 "[ . 1 . 2 .]" 1
34 1 5 PRO HB2 1 8 TYR H 3.400 . 5.000 3.375 2.866 3.734 . 0 0 "[ . 1 . 2 .]" 1
35 1 5 PRO HD3 1 24 LEU MD2 3.650 . 5.500 3.557 3.136 3.947 . 0 0 "[ . 1 . 2 .]" 1
36 1 4 ILE MD 1 5 PRO HD3 4.150 . 6.500 3.047 2.403 4.771 . 0 0 "[ . 1 . 2 .]" 1
37 1 4 ILE MG 1 5 PRO HD3 3.650 . 5.500 3.210 3.133 3.595 . 0 0 "[ . 1 . 2 .]" 1
38 1 5 PRO HD2 1 21 LEU MD2 3.650 . 5.500 4.420 3.944 4.513 . 0 0 "[ . 1 . 2 .]" 1
39 1 5 PRO HD2 1 24 LEU MD2 3.650 . 5.500 3.950 3.431 4.546 . 0 0 "[ . 1 . 2 .]" 1
40 1 4 ILE MD 1 5 PRO HD2 4.150 . 6.500 2.258 1.728 3.740 0.072 5 0 "[ . 1 . 2 .]" 1
41 1 4 ILE MG 1 5 PRO HD2 3.650 . 5.500 1.854 1.778 2.325 0.022 3 0 "[ . 1 . 2 .]" 1
42 1 5 PRO HD2 1 8 TYR QD 2.900 . 4.000 2.511 1.866 4.040 0.040 5 0 "[ . 1 . 2 .]" 1
43 1 5 PRO HD2 1 8 TYR QE 3.650 . 5.500 3.370 2.015 5.208 . 0 0 "[ . 1 . 2 .]" 1
44 1 5 PRO HG3 1 24 LEU MD2 4.150 . 6.500 5.096 4.535 5.473 . 0 0 "[ . 1 . 2 .]" 1
45 1 5 PRO HG3 1 7 ILE MG 4.150 . 6.500 3.153 2.886 3.677 . 0 0 "[ . 1 . 2 .]" 1
46 1 5 PRO HG3 1 8 TYR QE 3.650 . 5.500 2.895 2.280 3.506 . 0 0 "[ . 1 . 2 .]" 1
47 1 5 PRO HG2 1 7 ILE MG 4.150 . 6.500 2.455 2.124 3.147 . 0 0 "[ . 1 . 2 .]" 1
48 1 5 PRO HG2 1 8 TYR QE 3.650 . 5.500 3.186 2.499 3.737 . 0 0 "[ . 1 . 2 .]" 1
49 1 6 ALA H 1 6 ALA HA 2.300 . 2.800 2.932 2.849 2.975 0.175 9 0 "[ . 1 . 2 .]" 1
50 1 6 ALA HA 1 7 ILE H 3.400 . 5.000 3.504 3.444 3.570 . 0 0 "[ . 1 . 2 .]" 1
51 1 6 ALA HA 1 9 ILE HB 3.400 . 5.000 3.385 2.920 3.850 . 0 0 "[ . 1 . 2 .]" 1
52 1 6 ALA HA 1 9 ILE MD 2.900 . 4.000 2.100 1.784 2.761 0.016 23 0 "[ . 1 . 2 .]" 1
53 1 6 ALA HA 1 9 ILE HG13 2.650 . 3.500 2.617 2.154 3.224 . 0 0 "[ . 1 . 2 .]" 1
54 1 6 ALA HA 1 9 ILE H 2.650 . 3.500 3.480 3.316 3.550 0.050 24 0 "[ . 1 . 2 .]" 1
55 1 6 ALA H 1 6 ALA MB 2.900 . 4.000 2.141 1.956 2.387 . 0 0 "[ . 1 . 2 .]" 1
56 1 6 ALA MB 1 7 ILE H 2.900 . 4.000 2.736 2.346 2.941 . 0 0 "[ . 1 . 2 .]" 1
57 1 6 ALA MB 1 9 ILE MD 3.900 . 6.000 2.930 2.304 3.632 . 0 0 "[ . 1 . 2 .]" 1
58 1 7 ILE HA 1 65 TYR QE 3.650 . 5.500 2.765 1.890 3.835 . 0 0 "[ . 1 . 2 .]" 1
59 1 7 ILE HA 1 66 TYR QD 3.650 . 5.500 4.942 4.626 5.211 . 0 0 "[ . 1 . 2 .]" 1
60 1 7 ILE HA 1 66 TYR QE 3.650 . 5.500 4.418 4.082 4.631 . 0 0 "[ . 1 . 2 .]" 1
61 1 7 ILE HA 1 7 ILE HB 2.300 . 2.800 2.360 2.339 2.405 . 0 0 "[ . 1 . 2 .]" 1
62 1 7 ILE HA 1 7 ILE MD 3.650 . 5.500 2.484 1.943 3.940 . 0 0 "[ . 1 . 2 .]" 1
63 1 7 ILE HA 1 7 ILE QG 3.550 . 5.300 3.045 2.551 3.232 . 0 0 "[ . 1 . 2 .]" 1
64 1 7 ILE H 1 7 ILE HA 2.300 . 2.800 2.811 2.794 2.837 0.037 10 0 "[ . 1 . 2 .]" 1
65 1 7 ILE HA 1 8 TYR H 2.650 . 3.500 3.573 3.546 3.590 0.090 8 0 "[ . 1 . 2 .]" 1
66 1 7 ILE HB 1 66 TYR QD 3.650 . 5.500 4.828 4.703 5.052 . 0 0 "[ . 1 . 2 .]" 1
67 1 7 ILE HB 1 66 TYR QE 3.650 . 5.500 5.230 5.007 5.294 . 0 0 "[ . 1 . 2 .]" 1
68 1 7 ILE H 1 7 ILE HB 2.300 . 2.800 2.675 2.531 2.764 . 0 0 "[ . 1 . 2 .]" 1
69 1 7 ILE MD 1 65 TYR QD 4.400 . 7.000 3.211 2.337 4.599 . 0 0 "[ . 1 . 2 .]" 1
70 1 7 ILE MD 1 65 TYR QE 4.400 . 7.000 3.904 2.952 5.153 . 0 0 "[ . 1 . 2 .]" 1
71 1 7 ILE MD 1 66 TYR QD 3.900 . 6.000 2.107 1.810 2.754 . 0 0 "[ . 1 . 2 .]" 1
72 1 7 ILE MD 1 66 TYR QE 3.900 . 6.000 2.970 2.526 4.114 . 0 0 "[ . 1 . 2 .]" 1
73 1 7 ILE MD 1 68 ALA H 3.650 . 5.500 3.756 2.253 4.297 . 0 0 "[ . 1 . 2 .]" 1
74 1 7 ILE H 1 7 ILE MD 3.650 . 5.500 4.102 4.054 4.193 . 0 0 "[ . 1 . 2 .]" 1
75 1 7 ILE MD 1 8 TYR QE 4.400 . 7.000 4.238 2.341 5.298 . 0 0 "[ . 1 . 2 .]" 1
76 1 7 ILE QG 1 65 TYR QE 4.300 . 6.800 4.614 2.875 5.364 . 0 0 "[ . 1 . 2 .]" 1
77 1 7 ILE QG 1 66 TYR QD 3.800 . 5.800 3.435 2.442 3.776 . 0 0 "[ . 1 . 2 .]" 1
78 1 7 ILE QG 1 8 TYR QD 3.800 . 5.800 2.731 1.838 4.144 . 0 0 "[ . 1 . 2 .]" 1
79 1 7 ILE QG 1 8 TYR H 2.800 . 3.800 2.926 2.569 3.213 . 0 0 "[ . 1 . 2 .]" 1
80 1 7 ILE MG 1 65 TYR QD 4.400 . 7.000 4.437 3.156 4.872 . 0 0 "[ . 1 . 2 .]" 1
81 1 7 ILE MG 1 65 TYR QE 3.900 . 6.000 4.270 3.038 4.682 . 0 0 "[ . 1 . 2 .]" 1
82 1 7 ILE MG 1 66 TYR QD 4.400 . 7.000 5.211 4.694 5.394 . 0 0 "[ . 1 . 2 .]" 1
83 1 7 ILE MG 1 68 ALA H 4.150 . 6.500 3.763 3.634 3.907 . 0 0 "[ . 1 . 2 .]" 1
84 1 7 ILE H 1 7 ILE MG 2.900 . 4.000 1.796 1.773 1.832 0.027 9 0 "[ . 1 . 2 .]" 1
85 1 7 ILE MG 1 8 TYR QD 3.900 . 6.000 2.672 1.813 3.338 . 0 0 "[ . 1 . 2 .]" 1
86 1 7 ILE MG 1 8 TYR QE 3.900 . 6.000 2.991 2.455 3.428 . 0 0 "[ . 1 . 2 .]" 1
87 1 7 ILE MG 1 8 TYR H 3.650 . 5.500 1.786 1.743 1.844 0.057 14 0 "[ . 1 . 2 .]" 1
88 1 6 ALA H 1 7 ILE H 2.650 . 3.500 2.293 1.886 2.731 . 0 0 "[ . 1 . 2 .]" 1
89 1 8 TYR HA 1 11 ALA MB 2.900 . 4.000 2.156 1.913 2.467 . 0 0 "[ . 1 . 2 .]" 1
90 1 8 TYR HA 1 13 VAL MG1 3.650 . 5.500 3.260 2.962 3.608 . 0 0 "[ . 1 . 2 .]" 1
91 1 8 TYR HA 1 21 LEU MD1 4.150 . 6.500 4.046 3.700 4.458 . 0 0 "[ . 1 . 2 .]" 1
92 1 8 TYR HA 1 69 VAL MG2 3.650 . 5.500 3.450 3.129 3.716 . 0 0 "[ . 1 . 2 .]" 1
93 1 8 TYR HA 1 8 TYR HB3 2.650 . 3.500 2.536 2.482 2.614 . 0 0 "[ . 1 . 2 .]" 1
94 1 8 TYR HA 1 8 TYR HB2 2.650 . 3.500 3.029 3.011 3.037 . 0 0 "[ . 1 . 2 .]" 1
95 1 8 TYR HA 1 8 TYR QD 2.900 . 4.000 2.050 1.803 3.024 . 0 0 "[ . 1 . 2 .]" 1
96 1 8 TYR H 1 8 TYR HA 2.650 . 3.500 2.802 2.769 2.865 . 0 0 "[ . 1 . 2 .]" 1
97 1 8 TYR HA 1 9 ILE H 3.400 . 5.000 3.514 3.459 3.546 . 0 0 "[ . 1 . 2 .]" 1
98 1 8 TYR HB3 1 21 LEU MD1 3.650 . 5.500 2.145 1.798 2.583 0.002 23 0 "[ . 1 . 2 .]" 1
99 1 8 TYR HB3 1 21 LEU MD2 4.150 . 6.500 4.348 3.842 4.817 . 0 0 "[ . 1 . 2 .]" 1
100 1 8 TYR HB3 1 35 ILE MD 3.650 . 5.500 2.653 2.132 3.339 . 0 0 "[ . 1 . 2 .]" 1
101 1 4 ILE MD 1 8 TYR HB3 3.650 . 5.500 4.123 3.459 4.580 . 0 0 "[ . 1 . 2 .]" 1
102 1 4 ILE MG 1 8 TYR HB3 3.650 . 5.500 3.778 2.885 4.318 . 0 0 "[ . 1 . 2 .]" 1
103 1 8 TYR HB3 1 8 TYR QD 2.900 . 4.000 2.647 2.323 2.787 . 0 0 "[ . 1 . 2 .]" 1
104 1 8 TYR H 1 8 TYR HB3 2.650 . 3.500 3.521 3.490 3.540 0.040 8 0 "[ . 1 . 2 .]" 1
105 1 8 TYR HB3 1 9 ILE H 3.400 . 5.000 3.785 3.526 3.931 . 0 0 "[ . 1 . 2 .]" 1
106 1 8 TYR HB2 1 21 LEU MD1 3.650 . 5.500 3.086 2.390 3.645 . 0 0 "[ . 1 . 2 .]" 1
107 1 8 TYR HB2 1 21 LEU MD2 4.150 . 6.500 4.790 4.078 5.331 . 0 0 "[ . 1 . 2 .]" 1
108 1 8 TYR HB2 1 35 ILE MD 3.650 . 5.500 3.649 3.078 4.255 . 0 0 "[ . 1 . 2 .]" 1
109 1 4 ILE MD 1 8 TYR HB2 4.150 . 6.500 3.870 3.477 4.656 . 0 0 "[ . 1 . 2 .]" 1
110 1 4 ILE MG 1 8 TYR HB2 3.650 . 5.500 2.895 2.038 3.249 . 0 0 "[ . 1 . 2 .]" 1
111 1 8 TYR HB2 1 8 TYR QD 2.900 . 4.000 2.521 2.358 2.727 . 0 0 "[ . 1 . 2 .]" 1
112 1 8 TYR H 1 8 TYR HB2 2.650 . 3.500 2.376 2.183 2.511 . 0 0 "[ . 1 . 2 .]" 1
113 1 8 TYR HB2 1 9 ILE H 3.400 . 5.000 2.858 2.759 3.084 . 0 0 "[ . 1 . 2 .]" 1
114 1 8 TYR H 1 8 TYR QD 2.900 . 4.000 2.558 1.829 3.020 . 0 0 "[ . 1 . 2 .]" 1
115 1 7 ILE H 1 8 TYR H 2.650 . 3.500 2.937 2.773 3.095 . 0 0 "[ . 1 . 2 .]" 1
116 1 9 ILE HA 1 10 GLY H 2.300 . 2.800 2.219 2.187 2.281 . 0 0 "[ . 1 . 2 .]" 1
117 1 9 ILE HA 1 11 ALA H 2.650 . 3.500 3.586 3.542 3.645 0.145 24 0 "[ . 1 . 2 .]" 1
118 1 9 ILE HA 1 33 ALA MB 3.650 . 5.500 2.694 2.522 2.938 . 0 0 "[ . 1 . 2 .]" 1
119 1 9 ILE HA 1 35 ILE MD 3.650 . 5.500 3.780 2.234 4.477 . 0 0 "[ . 1 . 2 .]" 1
120 1 9 ILE HA 1 9 ILE MD 3.650 . 5.500 3.777 3.703 3.889 . 0 0 "[ . 1 . 2 .]" 1
121 1 9 ILE HA 1 9 ILE HG13 2.650 . 3.500 3.111 2.890 3.328 . 0 0 "[ . 1 . 2 .]" 1
122 1 9 ILE HA 1 9 ILE HG12 2.650 . 3.500 2.495 2.350 2.691 . 0 0 "[ . 1 . 2 .]" 1
123 1 9 ILE HA 1 9 ILE MG 2.900 . 4.000 2.359 2.257 2.502 . 0 0 "[ . 1 . 2 .]" 1
124 1 9 ILE H 1 9 ILE HA 2.650 . 3.500 2.889 2.848 2.935 . 0 0 "[ . 1 . 2 .]" 1
125 1 9 ILE HB 1 10 GLY H 3.400 . 5.000 4.230 4.048 4.422 . 0 0 "[ . 1 . 2 .]" 1
126 1 9 ILE H 1 9 ILE HB 2.300 . 2.800 2.430 2.295 2.558 . 0 0 "[ . 1 . 2 .]" 1
127 1 9 ILE MD 1 10 GLY H 4.150 . 6.500 5.122 4.900 5.337 . 0 0 "[ . 1 . 2 .]" 1
128 1 9 ILE H 1 9 ILE MD 3.650 . 5.500 3.505 3.226 3.705 . 0 0 "[ . 1 . 2 .]" 1
129 1 9 ILE H 1 9 ILE HG13 2.300 . 2.800 2.004 1.864 2.266 . 0 0 "[ . 1 . 2 .]" 1
130 1 9 ILE H 1 9 ILE HG12 2.650 . 3.500 3.203 2.851 3.503 0.003 11 0 "[ . 1 . 2 .]" 1
131 1 9 ILE MG 1 10 GLY H 3.650 . 5.500 2.636 2.183 2.953 . 0 0 "[ . 1 . 2 .]" 1
132 1 9 ILE H 1 9 ILE MG 3.650 . 5.500 3.711 3.693 3.731 . 0 0 "[ . 1 . 2 .]" 1
133 1 8 TYR H 1 9 ILE H 2.300 . 2.800 2.794 2.637 2.852 0.052 24 0 "[ . 1 . 2 .]" 1
134 1 10 GLY H 1 10 GLY HA3 2.650 . 3.500 2.852 2.786 2.923 . 0 0 "[ . 1 . 2 .]" 1
135 1 10 GLY HA3 1 34 ASN HB3 3.400 . 5.000 3.498 3.098 3.730 . 0 0 "[ . 1 . 2 .]" 1
136 1 10 GLY H 1 10 GLY HA2 2.650 . 3.500 2.352 2.346 2.367 . 0 0 "[ . 1 . 2 .]" 1
137 1 10 GLY HA2 1 11 ALA H 3.400 . 5.000 2.933 2.878 2.989 . 0 0 "[ . 1 . 2 .]" 1
138 1 10 GLY HA2 1 34 ASN HB3 3.400 . 5.000 2.605 2.074 2.925 . 0 0 "[ . 1 . 2 .]" 1
139 1 10 GLY HA2 1 34 ASN HB2 3.400 . 5.000 3.823 3.413 4.023 . 0 0 "[ . 1 . 2 .]" 1
140 1 11 ALA HA 1 12 THR H 2.300 . 2.800 2.801 2.702 2.839 0.039 4 0 "[ . 1 . 2 .]" 1
141 1 11 ALA H 1 11 ALA MB 2.550 . 3.300 2.244 2.181 2.324 . 0 0 "[ . 1 . 2 .]" 1
142 1 11 ALA MB 1 13 VAL MG1 3.900 . 6.000 3.008 2.837 3.165 . 0 0 "[ . 1 . 2 .]" 1
143 1 11 ALA MB 1 66 TYR QD 4.400 . 7.000 3.431 3.226 3.618 . 0 0 "[ . 1 . 2 .]" 1
144 1 12 THR HA 1 12 THR HB 2.650 . 3.500 3.024 3.011 3.036 . 0 0 "[ . 1 . 2 .]" 1
145 1 12 THR HA 1 12 THR MG 2.900 . 4.000 2.496 2.393 2.565 . 0 0 "[ . 1 . 2 .]" 1
146 1 12 THR H 1 12 THR HA 2.650 . 3.500 2.971 2.962 2.988 . 0 0 "[ . 1 . 2 .]" 1
147 1 12 THR HA 1 13 VAL MG2 3.650 . 5.500 3.977 3.832 4.056 . 0 0 "[ . 1 . 2 .]" 1
148 1 12 THR HA 1 13 VAL H 2.300 . 2.800 2.322 2.273 2.370 . 0 0 "[ . 1 . 2 .]" 1
149 1 12 THR HA 1 35 ILE MG 3.650 . 5.500 3.535 3.298 3.894 . 0 0 "[ . 1 . 2 .]" 1
150 1 12 THR HA 1 36 ARG QB 3.550 . 5.300 2.385 1.996 2.734 . 0 0 "[ . 1 . 2 .]" 1
151 1 12 THR HA 1 36 ARG HG3 3.400 . 5.000 4.104 3.422 4.807 . 0 0 "[ . 1 . 2 .]" 1
152 1 12 THR HA 1 36 ARG HG2 3.400 . 5.000 4.704 3.878 5.017 0.017 6 0 "[ . 1 . 2 .]" 1
153 1 12 THR HA 1 36 ARG H 2.650 . 3.500 2.218 1.970 2.445 . 0 0 "[ . 1 . 2 .]" 1
154 1 12 THR H 1 12 THR HB 2.300 . 2.800 2.720 2.658 2.795 . 0 0 "[ . 1 . 2 .]" 1
155 1 12 THR HB 1 13 VAL H 3.400 . 5.000 4.555 4.495 4.592 . 0 0 "[ . 1 . 2 .]" 1
156 1 12 THR HB 1 38 ALA MB 3.650 . 5.500 4.466 4.376 4.515 . 0 0 "[ . 1 . 2 .]" 1
157 1 12 THR H 1 12 THR MG 3.650 . 5.500 3.815 3.761 3.896 . 0 0 "[ . 1 . 2 .]" 1
158 1 12 THR MG 1 13 VAL H 3.650 . 5.500 3.418 3.191 3.599 . 0 0 "[ . 1 . 2 .]" 1
159 1 12 THR MG 1 38 ALA MB 3.900 . 6.000 2.252 2.091 2.382 . 0 0 "[ . 1 . 2 .]" 1
160 1 12 THR MG 1 38 ALA H 3.650 . 5.500 3.742 3.364 4.060 . 0 0 "[ . 1 . 2 .]" 1
161 1 12 THR MG 1 43 HIS HD2 3.650 . 5.500 4.417 4.344 4.485 . 0 0 "[ . 1 . 2 .]" 1
162 1 12 THR MG 1 44 SER H 3.650 . 5.500 3.631 3.426 3.885 . 0 0 "[ . 1 . 2 .]" 1
163 1 13 VAL HA 1 13 VAL HB 2.650 . 3.500 2.402 2.389 2.438 . 0 0 "[ . 1 . 2 .]" 1
164 1 13 VAL HA 1 13 VAL MG1 2.900 . 4.000 2.508 2.440 2.559 . 0 0 "[ . 1 . 2 .]" 1
165 1 13 VAL HA 1 14 GLY H 2.650 . 3.500 2.572 2.371 2.981 . 0 0 "[ . 1 . 2 .]" 1
166 1 13 VAL HA 1 17 VAL HB 3.400 . 5.000 3.883 3.550 4.206 . 0 0 "[ . 1 . 2 .]" 1
167 1 13 VAL HA 1 43 HIS HE1 2.300 . 2.800 2.930 2.880 2.956 0.156 18 0 "[ . 1 . 2 .]" 1
168 1 13 VAL HA 1 69 VAL HB 3.400 . 5.000 4.665 4.586 4.745 . 0 0 "[ . 1 . 2 .]" 1
169 1 13 VAL HA 1 69 VAL MG2 3.650 . 5.500 1.787 1.759 1.810 0.041 24 0 "[ . 1 . 2 .]" 1
170 1 13 VAL H 1 13 VAL HB 3.400 . 5.000 3.599 3.563 3.635 . 0 0 "[ . 1 . 2 .]" 1
171 1 13 VAL HB 1 14 GLY H 2.650 . 3.500 2.476 2.062 2.862 . 0 0 "[ . 1 . 2 .]" 1
172 1 13 VAL HB 1 17 VAL MG2 3.650 . 5.500 3.115 2.896 3.284 . 0 0 "[ . 1 . 2 .]" 1
173 1 13 VAL HB 1 17 VAL H 3.400 . 5.000 4.456 4.280 4.623 . 0 0 "[ . 1 . 2 .]" 1
174 1 13 VAL HB 1 18 TRP H 3.400 . 5.000 3.581 3.068 4.015 . 0 0 "[ . 1 . 2 .]" 1
175 1 13 VAL HB 1 21 LEU MD1 4.150 . 6.500 5.214 4.969 5.303 . 0 0 "[ . 1 . 2 .]" 1
176 1 13 VAL HB 1 35 ILE MG 4.150 . 6.500 4.591 4.168 4.862 . 0 0 "[ . 1 . 2 .]" 1
177 1 13 VAL HB 1 43 HIS HE1 3.400 . 5.000 4.904 4.787 4.987 . 0 0 "[ . 1 . 2 .]" 1
178 1 13 VAL MG1 1 14 GLY H 3.650 . 5.500 3.920 3.646 4.079 . 0 0 "[ . 1 . 2 .]" 1
179 1 13 VAL MG1 1 21 LEU MD1 3.900 . 6.000 3.177 2.922 3.363 . 0 0 "[ . 1 . 2 .]" 1
180 1 13 VAL H 1 13 VAL MG2 2.900 . 4.000 2.081 1.903 2.260 . 0 0 "[ . 1 . 2 .]" 1
181 1 13 VAL MG2 1 18 TRP H 3.650 . 5.500 2.197 1.879 2.439 . 0 0 "[ . 1 . 2 .]" 1
182 1 13 VAL H 1 36 ARG H 3.400 . 5.000 3.607 3.080 3.937 . 0 0 "[ . 1 . 2 .]" 1
183 1 13 VAL H 1 38 ALA H 3.400 . 5.000 4.951 4.720 5.015 0.015 22 0 "[ . 1 . 2 .]" 1
184 1 14 GLY H 1 14 GLY HA3 2.650 . 3.500 2.402 2.355 2.553 . 0 0 "[ . 1 . 2 .]" 1
185 1 14 GLY HA3 1 38 ALA H 3.400 . 5.000 3.688 3.577 3.808 . 0 0 "[ . 1 . 2 .]" 1
186 1 14 GLY HA3 1 43 HIS HD2 3.400 . 5.000 3.682 2.925 4.341 . 0 0 "[ . 1 . 2 .]" 1
187 1 14 GLY HA2 1 15 PRO HD2 2.650 . 3.500 3.173 3.083 3.329 . 0 0 "[ . 1 . 2 .]" 1
188 1 14 GLY HA2 1 38 ALA MB 3.650 . 5.500 2.394 1.984 3.093 . 0 0 "[ . 1 . 2 .]" 1
189 1 14 GLY HA2 1 38 ALA H 3.400 . 5.000 1.949 1.855 2.118 . 0 0 "[ . 1 . 2 .]" 1
190 1 14 GLY HA2 1 43 HIS HD2 3.400 . 5.000 3.887 3.167 4.565 . 0 0 "[ . 1 . 2 .]" 1
191 1 15 PRO HA 1 16 SER H 3.400 . 5.000 3.582 3.566 3.592 . 0 0 "[ . 1 . 2 .]" 1
192 1 15 PRO HA 1 18 TRP HB3 2.650 . 3.500 2.855 2.540 3.201 . 0 0 "[ . 1 . 2 .]" 1
193 1 15 PRO HA 1 18 TRP HB2 2.650 . 3.500 3.445 3.204 3.523 0.023 17 0 "[ . 1 . 2 .]" 1
194 1 15 PRO HA 1 18 TRP H 3.400 . 5.000 3.859 3.694 3.962 . 0 0 "[ . 1 . 2 .]" 1
195 1 15 PRO HA 1 37 ARG HE 3.400 . 5.000 3.656 1.878 4.969 . 0 0 "[ . 1 . 2 .]" 1
196 1 15 PRO HA 1 37 ARG HG2 3.400 . 5.000 3.381 2.513 4.133 . 0 0 "[ . 1 . 2 .]" 1
197 1 15 PRO HB3 1 16 SER H 3.400 . 5.000 3.959 3.780 4.064 . 0 0 "[ . 1 . 2 .]" 1
198 1 15 PRO HB2 1 16 SER H 2.650 . 3.500 3.004 2.695 3.187 . 0 0 "[ . 1 . 2 .]" 1
199 1 15 PRO HD3 1 40 SER H 2.650 . 3.500 3.411 3.196 3.514 0.014 23 0 "[ . 1 . 2 .]" 1
200 1 15 PRO HD2 1 16 SER H 3.400 . 5.000 2.548 2.477 2.612 . 0 0 "[ . 1 . 2 .]" 1
201 1 15 PRO HD2 1 40 SER H 3.400 . 5.000 4.131 3.914 4.273 . 0 0 "[ . 1 . 2 .]" 1
202 1 15 PRO HD2 1 41 ASP H 3.400 . 5.000 3.378 3.028 4.040 . 0 0 "[ . 1 . 2 .]" 1
203 1 16 SER H 1 16 SER HA 2.650 . 3.500 2.863 2.811 2.883 . 0 0 "[ . 1 . 2 .]" 1
204 1 16 SER HA 1 17 VAL H 3.400 . 5.000 3.590 3.584 3.595 . 0 0 "[ . 1 . 2 .]" 1
205 1 16 SER HA 1 18 TRP H 3.400 . 5.000 4.690 4.398 4.878 . 0 0 "[ . 1 . 2 .]" 1
206 1 16 SER HA 1 19 ALA MB 2.900 . 4.000 3.049 2.804 3.216 . 0 0 "[ . 1 . 2 .]" 1
207 1 16 SER HA 1 19 ALA H 3.400 . 5.000 4.025 3.827 4.209 . 0 0 "[ . 1 . 2 .]" 1
208 1 16 SER H 1 16 SER QB 2.800 . 3.800 2.082 1.925 2.435 . 0 0 "[ . 1 . 2 .]" 1
209 1 17 VAL HA 1 17 VAL HB 2.650 . 3.500 3.036 3.029 3.039 . 0 0 "[ . 1 . 2 .]" 1
210 1 17 VAL HA 1 17 VAL MG1 2.900 . 4.000 2.344 2.175 2.449 . 0 0 "[ . 1 . 2 .]" 1
211 1 17 VAL HA 1 17 VAL MG2 2.900 . 4.000 2.350 2.250 2.452 . 0 0 "[ . 1 . 2 .]" 1
212 1 17 VAL H 1 17 VAL HA 2.650 . 3.500 2.842 2.817 2.859 . 0 0 "[ . 1 . 2 .]" 1
213 1 17 VAL HA 1 18 TRP H 3.400 . 5.000 3.580 3.563 3.588 . 0 0 "[ . 1 . 2 .]" 1
214 1 17 VAL HA 1 20 TYR HB3 2.650 . 3.500 2.827 2.600 3.127 . 0 0 "[ . 1 . 2 .]" 1
215 1 17 VAL HA 1 20 TYR HB2 2.650 . 3.500 3.026 2.775 3.279 . 0 0 "[ . 1 . 2 .]" 1
216 1 17 VAL HA 1 20 TYR QD 3.650 . 5.500 4.163 3.278 4.545 . 0 0 "[ . 1 . 2 .]" 1
217 1 17 VAL HA 1 20 TYR H 2.650 . 3.500 3.520 3.500 3.545 0.045 23 0 "[ . 1 . 2 .]" 1
218 1 14 GLY H 1 17 VAL HB 2.650 . 3.500 2.306 1.881 2.832 . 0 0 "[ . 1 . 2 .]" 1
219 1 17 VAL H 1 17 VAL HB 2.650 . 3.500 2.460 2.279 2.625 . 0 0 "[ . 1 . 2 .]" 1
220 1 17 VAL HB 1 18 TRP H 2.650 . 3.500 2.373 2.253 2.581 . 0 0 "[ . 1 . 2 .]" 1
221 1 17 VAL H 1 17 VAL MG1 3.650 . 5.500 3.698 3.682 3.705 . 0 0 "[ . 1 . 2 .]" 1
222 1 17 VAL MG1 1 20 TYR HB3 4.150 . 6.500 3.398 3.190 3.549 . 0 0 "[ . 1 . 2 .]" 1
223 1 8 TYR QD 1 17 VAL MG1 3.900 . 6.000 4.097 3.263 4.693 . 0 0 "[ . 1 . 2 .]" 1
224 1 8 TYR QE 1 17 VAL MG1 3.900 . 6.000 3.084 1.975 3.774 . 0 0 "[ . 1 . 2 .]" 1
225 1 14 GLY H 1 17 VAL MG2 3.650 . 5.500 2.725 2.325 3.221 . 0 0 "[ . 1 . 2 .]" 1
226 1 17 VAL H 1 17 VAL MG2 2.900 . 4.000 1.983 1.847 2.234 . 0 0 "[ . 1 . 2 .]" 1
227 1 17 VAL MG2 1 18 TRP H 3.650 . 5.500 3.727 3.573 3.906 . 0 0 "[ . 1 . 2 .]" 1
228 1 17 VAL MG2 1 71 GLY H 3.650 . 5.500 4.138 3.407 4.423 . 0 0 "[ . 1 . 2 .]" 1
229 1 16 SER H 1 17 VAL H 2.650 . 3.500 2.808 2.707 2.947 . 0 0 "[ . 1 . 2 .]" 1
230 1 17 VAL H 1 18 TRP H 2.300 . 2.800 2.812 2.707 2.833 0.033 22 0 "[ . 1 . 2 .]" 1
231 1 13 VAL MG2 1 18 TRP HA 3.650 . 5.500 2.179 1.894 2.519 . 0 0 "[ . 1 . 2 .]" 1
232 1 18 TRP HA 1 18 TRP HB2 2.650 . 3.500 2.490 2.409 2.589 . 0 0 "[ . 1 . 2 .]" 1
233 1 18 TRP H 1 18 TRP HA 2.650 . 3.500 2.798 2.772 2.837 . 0 0 "[ . 1 . 2 .]" 1
234 1 18 TRP HA 1 19 ALA H 3.400 . 5.000 3.578 3.566 3.591 . 0 0 "[ . 1 . 2 .]" 1
235 1 18 TRP HA 1 21 LEU HB3 3.400 . 5.000 3.388 3.145 3.566 . 0 0 "[ . 1 . 2 .]" 1
236 1 18 TRP HA 1 21 LEU HB2 3.400 . 5.000 3.511 3.043 3.939 . 0 0 "[ . 1 . 2 .]" 1
237 1 18 TRP HA 1 21 LEU MD1 3.650 . 5.500 3.858 3.592 4.158 . 0 0 "[ . 1 . 2 .]" 1
238 1 18 TRP HA 1 21 LEU H 3.400 . 5.000 3.747 3.361 4.020 . 0 0 "[ . 1 . 2 .]" 1
239 1 18 TRP HA 1 35 ILE MG 4.150 . 6.500 3.676 3.475 3.854 . 0 0 "[ . 1 . 2 .]" 1
240 1 13 VAL MG2 1 18 TRP HB3 3.650 . 5.500 3.397 3.052 3.702 . 0 0 "[ . 1 . 2 .]" 1
241 1 18 TRP H 1 18 TRP HB3 2.300 . 2.800 2.548 2.381 2.759 . 0 0 "[ . 1 . 2 .]" 1
242 1 18 TRP HB3 1 19 ALA H 2.650 . 3.500 2.016 1.910 2.141 . 0 0 "[ . 1 . 2 .]" 1
243 1 18 TRP HB3 1 35 ILE MG 4.150 . 6.500 5.407 5.314 5.462 . 0 0 "[ . 1 . 2 .]" 1
244 1 18 TRP HB3 1 37 ARG HD3 3.400 . 5.000 4.002 2.268 5.007 0.007 20 0 "[ . 1 . 2 .]" 1
245 1 13 VAL MG2 1 18 TRP HB2 3.650 . 5.500 2.127 1.843 2.422 . 0 0 "[ . 1 . 2 .]" 1
246 1 18 TRP H 1 18 TRP HB2 2.300 . 2.800 2.357 2.180 2.517 . 0 0 "[ . 1 . 2 .]" 1
247 1 18 TRP HB2 1 19 ALA H 2.650 . 3.500 3.525 3.407 3.567 0.067 14 0 "[ . 1 . 2 .]" 1
248 1 18 TRP HB2 1 35 ILE MG 3.650 . 5.500 4.224 4.070 4.439 . 0 0 "[ . 1 . 2 .]" 1
249 1 18 TRP HB2 1 37 ARG HG2 3.400 . 5.000 2.427 2.135 2.895 . 0 0 "[ . 1 . 2 .]" 1
250 1 18 TRP H 1 18 TRP HD1 3.400 . 5.000 4.749 4.362 4.952 . 0 0 "[ . 1 . 2 .]" 1
251 1 18 TRP HD1 1 19 ALA H 3.400 . 5.000 3.513 2.281 5.064 0.064 12 0 "[ . 1 . 2 .]" 1
252 1 19 ALA H 1 19 ALA HA 2.650 . 3.500 2.769 2.750 2.811 . 0 0 "[ . 1 . 2 .]" 1
253 1 19 ALA HA 1 20 TYR H 2.650 . 3.500 3.555 3.537 3.569 0.069 15 0 "[ . 1 . 2 .]" 1
254 1 19 ALA HA 1 22 VAL HB 2.650 . 3.500 2.761 2.341 3.002 . 0 0 "[ . 1 . 2 .]" 1
255 1 19 ALA HA 1 22 VAL H 3.400 . 5.000 3.760 3.466 4.008 . 0 0 "[ . 1 . 2 .]" 1
256 1 19 ALA H 1 19 ALA MB 2.900 . 4.000 2.073 1.933 2.176 . 0 0 "[ . 1 . 2 .]" 1
257 1 19 ALA MB 1 20 TYR H 2.900 . 4.000 2.548 2.422 2.728 . 0 0 "[ . 1 . 2 .]" 1
258 1 18 TRP H 1 19 ALA H 2.650 . 3.500 3.097 2.948 3.206 . 0 0 "[ . 1 . 2 .]" 1
259 1 20 TYR HA 1 20 TYR HB3 2.650 . 3.500 3.032 3.008 3.038 . 0 0 "[ . 1 . 2 .]" 1
260 1 20 TYR HA 1 20 TYR HB2 2.650 . 3.500 2.519 2.419 2.632 . 0 0 "[ . 1 . 2 .]" 1
261 1 20 TYR HA 1 20 TYR QD 2.900 . 4.000 2.553 1.873 3.108 . 0 0 "[ . 1 . 2 .]" 1
262 1 20 TYR H 1 20 TYR HA 2.650 . 3.500 2.856 2.833 2.881 . 0 0 "[ . 1 . 2 .]" 1
263 1 20 TYR HA 1 23 ALA MB 2.900 . 4.000 2.896 2.532 3.132 . 0 0 "[ . 1 . 2 .]" 1
264 1 20 TYR H 1 20 TYR HB3 2.300 . 2.800 2.539 2.341 2.755 . 0 0 "[ . 1 . 2 .]" 1
265 1 20 TYR HB3 1 21 LEU H 2.650 . 3.500 2.040 1.869 2.433 . 0 0 "[ . 1 . 2 .]" 1
266 1 20 TYR H 1 20 TYR HB2 2.300 . 2.800 2.342 2.162 2.533 . 0 0 "[ . 1 . 2 .]" 1
267 1 20 TYR HB2 1 21 LEU H 2.650 . 3.500 3.516 3.440 3.570 0.070 5 0 "[ . 1 . 2 .]" 1
268 1 19 ALA H 1 20 TYR H 2.650 . 3.500 2.930 2.810 2.995 . 0 0 "[ . 1 . 2 .]" 1
269 1 20 TYR H 1 21 LEU H 2.650 . 3.500 2.950 2.693 3.053 . 0 0 "[ . 1 . 2 .]" 1
270 1 20 TYR QD 1 21 LEU HA 3.650 . 5.500 3.393 2.561 4.440 . 0 0 "[ . 1 . 2 .]" 1
271 1 21 LEU HA 1 21 LEU HB3 2.650 . 3.500 3.011 2.987 3.034 . 0 0 "[ . 1 . 2 .]" 1
272 1 21 LEU HA 1 21 LEU HB2 2.650 . 3.500 2.621 2.535 2.680 . 0 0 "[ . 1 . 2 .]" 1
273 1 21 LEU HA 1 21 LEU MD1 3.650 . 5.500 3.747 3.651 3.782 . 0 0 "[ . 1 . 2 .]" 1
274 1 21 LEU HA 1 21 LEU MD2 2.900 . 4.000 2.421 2.057 2.923 . 0 0 "[ . 1 . 2 .]" 1
275 1 21 LEU HA 1 21 LEU HG 2.650 . 3.500 2.409 2.240 2.513 . 0 0 "[ . 1 . 2 .]" 1
276 1 21 LEU H 1 21 LEU HA 2.650 . 3.500 2.783 2.747 2.865 . 0 0 "[ . 1 . 2 .]" 1
277 1 21 LEU HA 1 22 VAL H 3.400 . 5.000 3.563 3.501 3.594 . 0 0 "[ . 1 . 2 .]" 1
278 1 21 LEU HA 1 24 LEU HB2 3.400 . 5.000 2.917 2.694 3.258 . 0 0 "[ . 1 . 2 .]" 1
279 1 21 LEU HA 1 24 LEU MD2 3.650 . 5.500 3.256 2.870 3.895 . 0 0 "[ . 1 . 2 .]" 1
280 1 21 LEU HA 1 24 LEU H 2.650 . 3.500 3.498 3.405 3.523 0.023 9 0 "[ . 1 . 2 .]" 1
281 1 21 LEU H 1 21 LEU HB3 2.300 . 2.800 2.825 2.712 2.875 0.075 5 0 "[ . 1 . 2 .]" 1
282 1 21 LEU HB3 1 22 VAL H 2.650 . 3.500 2.500 2.133 2.921 . 0 0 "[ . 1 . 2 .]" 1
283 1 21 LEU H 1 21 LEU HB2 2.650 . 3.500 2.105 2.051 2.242 . 0 0 "[ . 1 . 2 .]" 1
284 1 21 LEU HB2 1 22 VAL H 3.400 . 5.000 3.588 3.373 3.757 . 0 0 "[ . 1 . 2 .]" 1
285 1 21 LEU H 1 21 LEU MD1 3.650 . 5.500 4.137 3.985 4.195 . 0 0 "[ . 1 . 2 .]" 1
286 1 21 LEU MD1 1 22 VAL H 4.150 . 6.500 4.404 3.989 4.782 . 0 0 "[ . 1 . 2 .]" 1
287 1 21 LEU MD1 1 35 ILE MD 3.900 . 6.000 1.762 1.569 2.321 0.231 13 0 "[ . 1 . 2 .]" 1
288 1 4 ILE MD 1 21 LEU MD1 4.400 . 7.000 2.694 2.207 3.238 . 0 0 "[ . 1 . 2 .]" 1
289 1 8 TYR QD 1 21 LEU MD1 3.900 . 6.000 2.394 1.765 3.068 0.035 3 0 "[ . 1 . 2 .]" 1
290 1 8 TYR QE 1 21 LEU MD1 4.400 . 7.000 3.746 2.980 4.297 . 0 0 "[ . 1 . 2 .]" 1
291 1 21 LEU MD2 1 22 VAL H 3.650 . 5.500 3.367 2.546 3.824 . 0 0 "[ . 1 . 2 .]" 1
292 1 21 LEU MD2 1 35 ILE MD 3.900 . 6.000 2.988 2.490 3.625 . 0 0 "[ . 1 . 2 .]" 1
293 1 4 ILE MD 1 21 LEU HG 2.900 . 4.000 2.171 1.711 3.118 0.089 7 0 "[ . 1 . 2 .]" 1
294 1 8 TYR QD 1 21 LEU HG 3.650 . 5.500 2.814 1.869 4.065 . 0 0 "[ . 1 . 2 .]" 1
295 1 21 LEU H 1 22 VAL H 2.650 . 3.500 2.927 2.636 3.138 . 0 0 "[ . 1 . 2 .]" 1
296 1 22 VAL H 1 22 VAL HA 2.650 . 3.500 2.825 2.754 2.902 . 0 0 "[ . 1 . 2 .]" 1
297 1 22 VAL HA 1 23 ALA H 2.650 . 3.500 3.569 3.556 3.574 0.074 11 0 "[ . 1 . 2 .]" 1
298 1 22 VAL HA 1 25 VAL MG1 3.650 . 5.500 3.056 2.556 4.659 . 0 0 "[ . 1 . 2 .]" 1
299 1 22 VAL HA 1 26 GLY H 2.650 . 3.500 2.853 2.173 3.277 . 0 0 "[ . 1 . 2 .]" 1
300 1 22 VAL HA 1 27 ALA H 3.400 . 5.000 4.394 3.799 5.009 0.009 12 0 "[ . 1 . 2 .]" 1
301 1 22 VAL HA 1 30 VAL HB 3.400 . 5.000 4.132 3.483 4.490 . 0 0 "[ . 1 . 2 .]" 1
302 1 22 VAL HA 1 30 VAL MG2 3.650 . 5.500 1.931 1.801 2.387 . 0 0 "[ . 1 . 2 .]" 1
303 1 22 VAL H 1 22 VAL HB 2.300 . 2.800 2.388 2.188 2.612 . 0 0 "[ . 1 . 2 .]" 1
304 1 22 VAL HB 1 23 ALA H 2.650 . 3.500 2.329 2.121 2.564 . 0 0 "[ . 1 . 2 .]" 1
305 1 22 VAL H 1 22 VAL MG1 3.650 . 5.500 3.694 3.649 3.716 . 0 0 "[ . 1 . 2 .]" 1
306 1 22 VAL MG1 1 27 ALA H 3.650 . 5.500 2.790 2.320 3.190 . 0 0 "[ . 1 . 2 .]" 1
307 1 18 TRP HE1 1 22 VAL MG2 3.650 . 5.500 2.913 2.202 3.800 . 0 0 "[ . 1 . 2 .]" 1
308 1 23 ALA H 1 23 ALA HA 2.300 . 2.800 2.817 2.784 2.869 0.069 23 0 "[ . 1 . 2 .]" 1
309 1 23 ALA H 1 23 ALA MB 2.900 . 4.000 2.049 1.913 2.160 . 0 0 "[ . 1 . 2 .]" 1
310 1 22 VAL H 1 23 ALA H 2.650 . 3.500 2.865 2.564 3.142 . 0 0 "[ . 1 . 2 .]" 1
311 1 24 LEU HA 1 24 LEU HB2 2.650 . 3.500 2.660 2.612 2.715 . 0 0 "[ . 1 . 2 .]" 1
312 1 24 LEU HA 1 24 LEU MD1 2.900 . 4.000 1.931 1.811 2.377 . 0 0 "[ . 1 . 2 .]" 1
313 1 24 LEU HA 1 24 LEU MD2 3.650 . 5.500 3.726 3.693 3.761 . 0 0 "[ . 1 . 2 .]" 1
314 1 24 LEU H 1 24 LEU HA 2.300 . 2.800 2.848 2.797 2.903 0.103 8 0 "[ . 1 . 2 .]" 1
315 1 24 LEU H 1 24 LEU HB3 2.300 . 2.800 2.817 2.779 2.865 0.065 12 0 "[ . 1 . 2 .]" 1
316 1 24 LEU HB3 1 25 VAL H 2.650 . 3.500 2.477 1.875 2.909 . 0 0 "[ . 1 . 2 .]" 1
317 1 4 ILE MD 1 24 LEU HB3 2.900 . 4.000 2.850 2.402 3.143 . 0 0 "[ . 1 . 2 .]" 1
318 1 24 LEU H 1 24 LEU HB2 2.300 . 2.800 2.086 2.029 2.151 . 0 0 "[ . 1 . 2 .]" 1
319 1 24 LEU HB2 1 25 VAL H 2.650 . 3.500 3.485 3.201 3.542 0.042 12 0 "[ . 1 . 2 .]" 1
320 1 4 ILE MD 1 24 LEU HB2 3.650 . 5.500 3.763 3.091 4.429 . 0 0 "[ . 1 . 2 .]" 1
321 1 20 TYR QE 1 24 LEU MD1 3.900 . 6.000 3.788 2.672 4.428 . 0 0 "[ . 1 . 2 .]" 1
322 1 24 LEU H 1 24 LEU MD1 3.650 . 5.500 3.447 3.337 3.626 . 0 0 "[ . 1 . 2 .]" 1
323 1 20 TYR QE 1 24 LEU MD2 3.900 . 6.000 3.626 2.966 4.547 . 0 0 "[ . 1 . 2 .]" 1
324 1 24 LEU H 1 24 LEU HG 3.400 . 5.000 4.469 4.386 4.511 . 0 0 "[ . 1 . 2 .]" 1
325 1 24 LEU H 1 25 VAL H 2.650 . 3.500 2.744 2.490 2.956 . 0 0 "[ . 1 . 2 .]" 1
326 1 25 VAL HA 1 25 VAL HB 2.300 . 2.800 2.358 2.272 2.679 . 0 0 "[ . 1 . 2 .]" 1
327 1 25 VAL HA 1 25 VAL MG2 2.900 . 4.000 2.665 2.395 3.189 . 0 0 "[ . 1 . 2 .]" 1
328 1 25 VAL H 1 25 VAL HA 2.650 . 3.500 2.997 2.953 3.004 . 0 0 "[ . 1 . 2 .]" 1
329 1 25 VAL H 1 25 VAL HB 3.400 . 5.000 3.368 2.588 3.711 . 0 0 "[ . 1 . 2 .]" 1
330 1 25 VAL HB 1 29 ALA MB 2.900 . 4.000 3.203 1.730 3.426 0.070 12 0 "[ . 1 . 2 .]" 1
331 1 25 VAL HB 1 30 VAL MG2 4.150 . 6.500 4.461 3.288 4.723 . 0 0 "[ . 1 . 2 .]" 1
332 1 25 VAL H 1 25 VAL MG1 2.900 . 4.000 1.914 1.777 3.261 0.023 15 0 "[ . 1 . 2 .]" 1
333 1 25 VAL MG1 1 30 VAL MG2 3.900 . 6.000 2.280 1.936 3.654 . 0 0 "[ . 1 . 2 .]" 1
334 1 25 VAL MG1 1 30 VAL H 3.650 . 5.500 3.853 2.903 4.623 . 0 0 "[ . 1 . 2 .]" 1
335 1 25 VAL H 1 25 VAL MG2 3.650 . 5.500 3.438 1.839 3.733 . 0 0 "[ . 1 . 2 .]" 1
336 1 25 VAL MG2 1 30 VAL H 3.650 . 5.500 3.104 2.228 4.011 . 0 0 "[ . 1 . 2 .]" 1
337 1 26 GLY H 1 26 GLY HA3 2.650 . 3.500 2.891 2.851 2.995 . 0 0 "[ . 1 . 2 .]" 1
338 1 26 GLY HA3 1 27 ALA H 2.300 . 2.800 2.765 2.518 2.827 0.027 23 0 "[ . 1 . 2 .]" 1
339 1 26 GLY HA3 1 28 ALA H 3.400 . 5.000 3.255 3.003 4.298 . 0 0 "[ . 1 . 2 .]" 1
340 1 22 VAL HA 1 26 GLY HA2 3.400 . 5.000 3.347 2.912 3.672 . 0 0 "[ . 1 . 2 .]" 1
341 1 26 GLY H 1 26 GLY HA2 2.300 . 2.800 2.761 2.527 2.826 0.026 20 0 "[ . 1 . 2 .]" 1
342 1 26 GLY HA2 1 27 ALA H 2.300 . 2.800 2.476 2.403 2.741 . 0 0 "[ . 1 . 2 .]" 1
343 1 26 GLY HA2 1 28 ALA H 3.400 . 5.000 4.209 3.978 5.022 0.022 12 0 "[ . 1 . 2 .]" 1
344 1 26 GLY H 1 27 ALA H 3.400 . 5.000 4.342 4.308 4.386 . 0 0 "[ . 1 . 2 .]" 1
345 1 22 VAL HA 1 27 ALA HA 3.400 . 5.000 4.030 2.990 4.584 . 0 0 "[ . 1 . 2 .]" 1
346 1 22 VAL MG1 1 27 ALA HA 3.650 . 5.500 3.206 1.873 4.058 . 0 0 "[ . 1 . 2 .]" 1
347 1 27 ALA H 1 27 ALA HA 2.300 . 2.800 2.852 2.835 2.896 0.096 12 0 "[ . 1 . 2 .]" 1
348 1 27 ALA HA 1 28 ALA H 2.650 . 3.500 3.488 3.402 3.571 0.071 12 0 "[ . 1 . 2 .]" 1
349 1 27 ALA HA 1 30 VAL HB 2.650 . 3.500 2.131 1.881 3.201 . 0 0 "[ . 1 . 2 .]" 1
350 1 27 ALA HA 1 30 VAL MG1 3.650 . 5.500 3.145 2.734 4.352 . 0 0 "[ . 1 . 2 .]" 1
351 1 27 ALA HA 1 30 VAL MG2 3.650 . 5.500 2.828 2.482 3.597 . 0 0 "[ . 1 . 2 .]" 1
352 1 27 ALA HA 1 30 VAL H 2.650 . 3.500 3.535 3.516 3.607 0.107 3 0 "[ . 1 . 2 .]" 1
353 1 18 TRP HZ2 1 27 ALA MB 3.650 . 5.500 4.067 3.423 4.454 . 0 0 "[ . 1 . 2 .]" 1
354 1 22 VAL MG2 1 27 ALA MB 4.400 . 7.000 3.353 2.714 3.995 . 0 0 "[ . 1 . 2 .]" 1
355 1 27 ALA H 1 27 ALA MB 2.900 . 4.000 2.024 1.907 2.145 . 0 0 "[ . 1 . 2 .]" 1
356 1 28 ALA H 1 28 ALA HA 2.300 . 2.800 2.877 2.803 2.900 0.100 13 0 "[ . 1 . 2 .]" 1
357 1 28 ALA HA 1 31 THR H 2.650 . 3.500 3.553 3.500 3.582 0.082 25 0 "[ . 1 . 2 .]" 1
358 1 28 ALA H 1 28 ALA MB 2.550 . 3.300 2.061 1.925 2.156 . 0 0 "[ . 1 . 2 .]" 1
359 1 28 ALA MB 1 29 ALA H 2.900 . 4.000 2.175 1.933 2.684 . 0 0 "[ . 1 . 2 .]" 1
360 1 28 ALA MB 1 31 THR H 3.650 . 5.500 4.543 4.485 4.650 . 0 0 "[ . 1 . 2 .]" 1
361 1 27 ALA H 1 28 ALA H 2.650 . 3.500 2.703 2.622 2.941 . 0 0 "[ . 1 . 2 .]" 1
362 1 29 ALA H 1 29 ALA HA 2.650 . 3.500 2.867 2.855 2.886 . 0 0 "[ . 1 . 2 .]" 1
363 1 29 ALA HA 1 30 VAL H 2.650 . 3.500 3.495 3.455 3.577 0.077 17 0 "[ . 1 . 2 .]" 1
364 1 29 ALA HA 1 32 ALA MB 2.900 . 4.000 2.476 2.027 3.012 . 0 0 "[ . 1 . 2 .]" 1
365 1 29 ALA HA 1 32 ALA H 2.650 . 3.500 3.308 3.124 3.505 0.005 12 0 "[ . 1 . 2 .]" 1
366 1 25 VAL MG1 1 29 ALA MB 3.900 . 6.000 2.590 1.761 3.555 0.039 23 0 "[ . 1 . 2 .]" 1
367 1 25 VAL MG2 1 29 ALA MB 3.900 . 6.000 1.609 1.535 2.841 0.265 23 0 "[ . 1 . 2 .]" 1
368 1 29 ALA H 1 29 ALA MB 2.900 . 4.000 1.949 1.931 2.051 . 0 0 "[ . 1 . 2 .]" 1
369 1 28 ALA H 1 29 ALA H 2.300 . 2.800 2.830 2.731 2.858 0.058 13 0 "[ . 1 . 2 .]" 1
370 1 25 VAL MG2 1 30 VAL HA 3.650 . 5.500 4.190 3.075 4.376 . 0 0 "[ . 1 . 2 .]" 1
371 1 30 VAL HA 1 30 VAL HB 2.650 . 3.500 3.024 3.016 3.037 . 0 0 "[ . 1 . 2 .]" 1
372 1 30 VAL HA 1 30 VAL MG2 2.900 . 4.000 2.234 2.096 2.308 . 0 0 "[ . 1 . 2 .]" 1
373 1 30 VAL H 1 30 VAL HA 2.650 . 3.500 2.889 2.802 2.917 . 0 0 "[ . 1 . 2 .]" 1
374 1 30 VAL HA 1 33 ALA MB 3.650 . 5.500 2.845 2.462 3.174 . 0 0 "[ . 1 . 2 .]" 1
375 1 30 VAL HA 1 35 ILE MD 3.650 . 5.500 2.192 1.831 3.634 . 0 0 "[ . 1 . 2 .]" 1
376 1 21 LEU MD1 1 30 VAL HB 4.150 . 6.500 4.999 4.555 5.280 . 0 0 "[ . 1 . 2 .]" 1
377 1 30 VAL H 1 30 VAL HB 2.300 . 2.800 2.214 2.145 2.465 . 0 0 "[ . 1 . 2 .]" 1
378 1 30 VAL HB 1 31 THR H 2.650 . 3.500 2.759 2.531 3.028 . 0 0 "[ . 1 . 2 .]" 1
379 1 30 VAL H 1 30 VAL MG1 3.650 . 5.500 3.656 3.625 3.700 . 0 0 "[ . 1 . 2 .]" 1
380 1 30 VAL MG1 1 31 THR H 3.650 . 5.500 3.332 3.104 3.548 . 0 0 "[ . 1 . 2 .]" 1
381 1 22 VAL H 1 30 VAL MG2 3.650 . 5.500 3.258 2.744 3.709 . 0 0 "[ . 1 . 2 .]" 1
382 1 25 VAL MG2 1 30 VAL MG2 3.900 . 6.000 2.745 1.662 3.769 0.138 3 0 "[ . 1 . 2 .]" 1
383 1 26 GLY H 1 30 VAL MG2 3.650 . 5.500 2.630 2.449 3.326 . 0 0 "[ . 1 . 2 .]" 1
384 1 30 VAL H 1 30 VAL MG2 2.900 . 4.000 2.470 2.108 2.599 . 0 0 "[ . 1 . 2 .]" 1
385 1 30 VAL MG2 1 31 THR H 3.650 . 5.500 4.023 3.780 4.140 . 0 0 "[ . 1 . 2 .]" 1
386 1 30 VAL MG2 1 35 ILE MD 3.900 . 6.000 3.059 2.764 3.891 . 0 0 "[ . 1 . 2 .]" 1
387 1 29 ALA H 1 30 VAL H 2.300 . 2.800 2.623 2.560 2.796 . 0 0 "[ . 1 . 2 .]" 1
388 1 30 VAL H 1 31 THR H 2.650 . 3.500 2.560 2.460 2.810 . 0 0 "[ . 1 . 2 .]" 1
389 1 31 THR HA 1 31 THR MG 2.900 . 4.000 2.304 2.074 2.490 . 0 0 "[ . 1 . 2 .]" 1
390 1 31 THR H 1 31 THR HA 2.650 . 3.500 2.941 2.895 2.970 . 0 0 "[ . 1 . 2 .]" 1
391 1 31 THR HA 1 32 ALA H 3.400 . 5.000 3.514 3.437 3.583 . 0 0 "[ . 1 . 2 .]" 1
392 1 31 THR HA 1 34 ASN H 3.400 . 5.000 4.166 3.844 4.573 . 0 0 "[ . 1 . 2 .]" 1
393 1 31 THR HA 1 35 ILE H 2.650 . 3.500 3.502 3.355 3.524 0.024 19 0 "[ . 1 . 2 .]" 1
394 1 28 ALA HA 1 31 THR HB 2.650 . 3.500 3.245 2.708 3.500 0.000 20 0 "[ . 1 . 2 .]" 1
395 1 31 THR HA 1 31 THR HB 2.650 . 3.500 3.033 3.015 3.039 . 0 0 "[ . 1 . 2 .]" 1
396 1 31 THR H 1 31 THR HB 2.300 . 2.800 2.439 2.267 2.693 . 0 0 "[ . 1 . 2 .]" 1
397 1 31 THR HB 1 32 ALA H 2.650 . 3.500 2.802 2.372 3.122 . 0 0 "[ . 1 . 2 .]" 1
398 1 18 TRP HZ2 1 31 THR MG 4.150 . 6.500 5.167 4.679 5.345 . 0 0 "[ . 1 . 2 .]" 1
399 1 31 THR H 1 31 THR MG 3.650 . 5.500 3.719 3.667 3.757 . 0 0 "[ . 1 . 2 .]" 1
400 1 31 THR MG 1 32 ALA H 3.650 . 5.500 3.727 3.382 4.057 . 0 0 "[ . 1 . 2 .]" 1
401 1 32 ALA H 1 32 ALA HA 2.650 . 3.500 2.925 2.875 2.959 . 0 0 "[ . 1 . 2 .]" 1
402 1 32 ALA HA 1 33 ALA H 2.650 . 3.500 3.482 3.443 3.513 0.013 9 0 "[ . 1 . 2 .]" 1
403 1 32 ALA HA 1 34 ASN H 3.400 . 5.000 3.457 3.397 3.594 . 0 0 "[ . 1 . 2 .]" 1
404 1 32 ALA H 1 32 ALA MB 2.900 . 4.000 2.043 1.915 2.172 . 0 0 "[ . 1 . 2 .]" 1
405 1 32 ALA MB 1 33 ALA H 2.900 . 4.000 2.880 2.712 3.008 . 0 0 "[ . 1 . 2 .]" 1
406 1 33 ALA H 1 33 ALA HA 2.650 . 3.500 2.943 2.921 2.959 . 0 0 "[ . 1 . 2 .]" 1
407 1 9 ILE MD 1 33 ALA HA 4.150 . 6.500 4.138 3.705 4.526 . 0 0 "[ . 1 . 2 .]" 1
408 1 9 ILE MG 1 33 ALA HA 3.650 . 5.500 3.047 2.363 3.679 . 0 0 "[ . 1 . 2 .]" 1
409 1 33 ALA H 1 33 ALA MB 2.900 . 4.000 2.039 1.958 2.174 . 0 0 "[ . 1 . 2 .]" 1
410 1 33 ALA MB 1 34 ASN H 3.650 . 5.500 3.413 3.286 3.548 . 0 0 "[ . 1 . 2 .]" 1
411 1 33 ALA MB 1 35 ILE MD 3.900 . 6.000 1.964 1.657 2.748 0.143 19 0 "[ . 1 . 2 .]" 1
412 1 9 ILE MD 1 33 ALA MB 3.900 . 6.000 3.500 3.079 3.929 . 0 0 "[ . 1 . 2 .]" 1
413 1 9 ILE MG 1 33 ALA MB 4.400 . 7.000 3.224 2.650 3.842 . 0 0 "[ . 1 . 2 .]" 1
414 1 32 ALA H 1 33 ALA H 2.650 . 3.500 2.427 2.274 2.613 . 0 0 "[ . 1 . 2 .]" 1
415 1 33 ALA H 1 34 ASN H 2.300 . 2.800 2.707 2.559 2.831 0.031 13 0 "[ . 1 . 2 .]" 1
416 1 34 ASN HA 1 34 ASN HB3 2.650 . 3.500 3.033 3.019 3.037 . 0 0 "[ . 1 . 2 .]" 1
417 1 34 ASN HA 1 34 ASN HB2 2.650 . 3.500 2.490 2.441 2.575 . 0 0 "[ . 1 . 2 .]" 1
418 1 34 ASN H 1 34 ASN HA 2.300 . 2.800 2.363 2.352 2.376 . 0 0 "[ . 1 . 2 .]" 1
419 1 34 ASN HA 1 35 ILE H 2.650 . 3.500 2.495 2.416 2.585 . 0 0 "[ . 1 . 2 .]" 1
420 1 34 ASN H 1 34 ASN HB3 2.650 . 3.500 3.494 3.411 3.553 0.053 10 0 "[ . 1 . 2 .]" 1
421 1 34 ASN H 1 34 ASN HB2 2.650 . 3.500 2.996 2.789 3.109 . 0 0 "[ . 1 . 2 .]" 1
422 1 35 ILE HA 1 35 ILE HB 2.650 . 3.500 3.032 3.024 3.038 . 0 0 "[ . 1 . 2 .]" 1
423 1 35 ILE HA 1 35 ILE MD 3.650 . 5.500 3.701 1.974 3.836 . 0 0 "[ . 1 . 2 .]" 1
424 1 35 ILE H 1 35 ILE HA 2.650 . 3.500 3.002 2.996 3.005 . 0 0 "[ . 1 . 2 .]" 1
425 1 35 ILE HA 1 36 ARG H 2.300 . 2.800 2.229 2.212 2.274 . 0 0 "[ . 1 . 2 .]" 1
426 1 35 ILE HB 1 35 ILE MD 2.900 . 4.000 2.278 2.072 3.180 . 0 0 "[ . 1 . 2 .]" 1
427 1 35 ILE H 1 35 ILE HB 2.300 . 2.800 2.428 2.372 2.569 . 0 0 "[ . 1 . 2 .]" 1
428 1 35 ILE HB 1 36 ARG H 3.400 . 5.000 4.384 4.216 4.507 . 0 0 "[ . 1 . 2 .]" 1
429 1 35 ILE H 1 35 ILE MD 3.650 . 5.500 3.602 2.884 4.051 . 0 0 "[ . 1 . 2 .]" 1
430 1 11 ALA H 1 35 ILE MG 3.650 . 5.500 4.433 4.267 4.510 . 0 0 "[ . 1 . 2 .]" 1
431 1 13 VAL H 1 35 ILE MG 3.650 . 5.500 2.833 2.572 3.166 . 0 0 "[ . 1 . 2 .]" 1
432 1 21 LEU MD1 1 35 ILE MG 3.900 . 6.000 2.588 1.817 3.007 . 0 0 "[ . 1 . 2 .]" 1
433 1 30 VAL MG1 1 35 ILE MG 4.400 . 7.000 2.673 2.150 3.058 . 0 0 "[ . 1 . 2 .]" 1
434 1 30 VAL MG2 1 35 ILE MG 4.400 . 7.000 4.104 3.373 4.496 . 0 0 "[ . 1 . 2 .]" 1
435 1 35 ILE H 1 35 ILE MG 3.650 . 5.500 3.743 3.686 3.811 . 0 0 "[ . 1 . 2 .]" 1
436 1 35 ILE MG 1 36 ARG H 2.900 . 4.000 2.848 2.313 3.185 . 0 0 "[ . 1 . 2 .]" 1
437 1 34 ASN H 1 35 ILE H 2.650 . 3.500 3.204 2.991 3.395 . 0 0 "[ . 1 . 2 .]" 1
438 1 35 ILE H 1 36 ARG H 3.400 . 5.000 4.307 4.155 4.469 . 0 0 "[ . 1 . 2 .]" 1
439 1 36 ARG HA 1 36 ARG QD 3.550 . 5.300 3.460 2.455 4.249 . 0 0 "[ . 1 . 2 .]" 1
440 1 36 ARG HA 1 36 ARG HG2 3.400 . 5.000 2.416 2.007 3.000 . 0 0 "[ . 1 . 2 .]" 1
441 1 36 ARG HA 1 37 ARG H 2.300 . 2.800 2.298 2.247 2.382 . 0 0 "[ . 1 . 2 .]" 1
442 1 12 THR MG 1 36 ARG QB 3.800 . 5.800 2.446 1.839 2.860 . 0 0 "[ . 1 . 2 .]" 1
443 1 13 VAL H 1 36 ARG QB 3.550 . 5.300 4.292 4.020 4.554 . 0 0 "[ . 1 . 2 .]" 1
444 1 36 ARG H 1 36 ARG QB 2.800 . 3.800 2.352 2.039 2.570 . 0 0 "[ . 1 . 2 .]" 1
445 1 36 ARG QB 1 37 ARG H 3.550 . 5.300 2.925 2.705 3.197 . 0 0 "[ . 1 . 2 .]" 1
446 1 12 THR MG 1 36 ARG QD 4.300 . 6.800 4.024 3.228 4.868 . 0 0 "[ . 1 . 2 .]" 1
447 1 36 ARG H 1 36 ARG HG3 2.650 . 3.500 2.891 2.129 3.512 0.012 7 0 "[ . 1 . 2 .]" 1
448 1 36 ARG H 1 36 ARG HG2 3.400 . 5.000 3.185 2.309 4.507 . 0 0 "[ . 1 . 2 .]" 1
449 1 13 VAL H 1 37 ARG HA 3.400 . 5.000 3.709 3.480 3.972 . 0 0 "[ . 1 . 2 .]" 1
450 1 37 ARG HA 1 37 ARG HD3 3.400 . 5.000 4.270 3.866 4.536 . 0 0 "[ . 1 . 2 .]" 1
451 1 37 ARG HA 1 37 ARG HG3 3.400 . 5.000 2.794 2.122 3.265 . 0 0 "[ . 1 . 2 .]" 1
452 1 37 ARG HA 1 37 ARG HG2 3.400 . 5.000 2.237 1.952 2.913 . 0 0 "[ . 1 . 2 .]" 1
453 1 37 ARG HA 1 38 ALA H 2.300 . 2.800 2.328 2.232 2.456 . 0 0 "[ . 1 . 2 .]" 1
454 1 37 ARG HB3 1 37 ARG HE 3.400 . 5.000 3.129 1.892 4.525 . 0 0 "[ . 1 . 2 .]" 1
455 1 37 ARG H 1 37 ARG HB3 3.400 . 5.000 3.366 3.280 3.525 . 0 0 "[ . 1 . 2 .]" 1
456 1 37 ARG HB3 1 38 ALA H 2.650 . 3.500 3.072 2.754 3.364 . 0 0 "[ . 1 . 2 .]" 1
457 1 37 ARG H 1 37 ARG HB2 2.650 . 3.500 2.085 1.996 2.229 . 0 0 "[ . 1 . 2 .]" 1
458 1 37 ARG HB2 1 38 ALA H 3.400 . 5.000 4.247 4.068 4.398 . 0 0 "[ . 1 . 2 .]" 1
459 1 37 ARG HD3 1 37 ARG HE 2.650 . 3.500 2.755 2.357 2.998 . 0 0 "[ . 1 . 2 .]" 1
460 1 37 ARG HD2 1 37 ARG HE 2.650 . 3.500 2.808 2.405 3.005 . 0 0 "[ . 1 . 2 .]" 1
461 1 37 ARG H 1 37 ARG HG3 2.650 . 3.500 3.422 2.775 3.521 0.021 8 0 "[ . 1 . 2 .]" 1
462 1 37 ARG HG3 1 38 ALA H 3.400 . 5.000 4.624 4.044 5.005 0.005 15 0 "[ . 1 . 2 .]" 1
463 1 37 ARG HE 1 37 ARG HG2 3.400 . 5.000 2.934 2.081 3.953 . 0 0 "[ . 1 . 2 .]" 1
464 1 37 ARG H 1 37 ARG HG2 3.400 . 5.000 4.105 3.730 4.489 . 0 0 "[ . 1 . 2 .]" 1
465 1 37 ARG HG2 1 38 ALA H 3.400 . 5.000 3.522 3.190 4.072 . 0 0 "[ . 1 . 2 .]" 1
466 1 12 THR MG 1 38 ALA HA 3.650 . 5.500 3.581 3.405 3.799 . 0 0 "[ . 1 . 2 .]" 1
467 1 38 ALA H 1 38 ALA HA 2.650 . 3.500 2.999 2.990 3.003 . 0 0 "[ . 1 . 2 .]" 1
468 1 38 ALA HA 1 39 SER H 2.300 . 2.800 2.428 2.325 2.686 . 0 0 "[ . 1 . 2 .]" 1
469 1 38 ALA H 1 38 ALA MB 2.900 . 4.000 2.315 2.166 2.457 . 0 0 "[ . 1 . 2 .]" 1
470 1 38 ALA MB 1 39 SER H 2.900 . 4.000 2.652 2.208 2.887 . 0 0 "[ . 1 . 2 .]" 1
471 1 38 ALA MB 1 40 SER H 2.900 . 4.000 2.366 2.236 2.606 . 0 0 "[ . 1 . 2 .]" 1
472 1 38 ALA MB 1 43 HIS HD2 2.900 . 4.000 2.849 2.668 3.156 . 0 0 "[ . 1 . 2 .]" 1
473 1 39 SER H 1 39 SER HA 2.650 . 3.500 2.789 2.753 2.896 . 0 0 "[ . 1 . 2 .]" 1
474 1 39 SER HA 1 40 SER H 2.650 . 3.500 3.510 3.347 3.547 0.047 21 0 "[ . 1 . 2 .]" 1
475 1 39 SER H 1 39 SER QB 2.800 . 3.800 2.168 1.940 2.682 . 0 0 "[ . 1 . 2 .]" 1
476 1 39 SER QB 1 40 SER H 3.550 . 5.300 2.922 2.548 3.510 . 0 0 "[ . 1 . 2 .]" 1
477 1 15 PRO HD3 1 40 SER HA 3.400 . 5.000 2.320 2.102 2.760 . 0 0 "[ . 1 . 2 .]" 1
478 1 15 PRO HD2 1 40 SER HA 2.650 . 3.500 2.000 1.862 2.383 . 0 0 "[ . 1 . 2 .]" 1
479 1 15 PRO HG2 1 40 SER HA 3.400 . 5.000 3.273 3.009 3.725 . 0 0 "[ . 1 . 2 .]" 1
480 1 40 SER HA 1 40 SER HB3 2.650 . 3.500 2.600 2.314 2.928 . 0 0 "[ . 1 . 2 .]" 1
481 1 40 SER HA 1 40 SER HB2 2.650 . 3.500 2.986 2.778 3.033 . 0 0 "[ . 1 . 2 .]" 1
482 1 40 SER H 1 40 SER HA 2.650 . 3.500 2.912 2.823 2.943 . 0 0 "[ . 1 . 2 .]" 1
483 1 40 SER HA 1 41 ASP H 2.300 . 2.800 2.717 2.584 2.848 0.048 12 0 "[ . 1 . 2 .]" 1
484 1 40 SER HB3 1 41 ASP H 2.300 . 2.800 2.101 1.870 2.547 . 0 0 "[ . 1 . 2 .]" 1
485 1 40 SER HB3 1 42 ASN H 2.650 . 3.500 2.839 2.268 3.503 0.003 14 0 "[ . 1 . 2 .]" 1
486 1 40 SER H 1 40 SER HB2 3.400 . 5.000 2.938 2.756 3.181 . 0 0 "[ . 1 . 2 .]" 1
487 1 40 SER HB2 1 41 ASP H 2.650 . 3.500 3.333 2.844 3.533 0.033 12 0 "[ . 1 . 2 .]" 1
488 1 39 SER H 1 40 SER H 2.650 . 3.500 2.838 2.649 2.925 . 0 0 "[ . 1 . 2 .]" 1
489 1 14 GLY HA3 1 41 ASP HA 3.400 . 5.000 2.840 2.250 3.374 . 0 0 "[ . 1 . 2 .]" 1
490 1 41 ASP HA 1 41 ASP HB3 2.650 . 3.500 2.580 2.402 2.697 . 0 0 "[ . 1 . 2 .]" 1
491 1 41 ASP HA 1 41 ASP HB2 2.650 . 3.500 3.019 2.981 3.035 . 0 0 "[ . 1 . 2 .]" 1
492 1 41 ASP H 1 41 ASP HA 2.650 . 3.500 2.854 2.780 2.901 . 0 0 "[ . 1 . 2 .]" 1
493 1 41 ASP HA 1 42 ASN H 3.400 . 5.000 3.447 3.370 3.541 . 0 0 "[ . 1 . 2 .]" 1
494 1 41 ASP HA 1 43 HIS HD2 2.300 . 2.800 2.761 2.612 2.817 0.017 4 0 "[ . 1 . 2 .]" 1
495 1 41 ASP H 1 41 ASP HB3 2.650 . 3.500 3.495 3.445 3.524 0.024 3 0 "[ . 1 . 2 .]" 1
496 1 41 ASP HB3 1 42 ASN H 3.400 . 5.000 3.905 3.542 4.212 . 0 0 "[ . 1 . 2 .]" 1
497 1 41 ASP HB3 1 43 HIS HD2 3.400 . 5.000 4.634 4.500 4.829 . 0 0 "[ . 1 . 2 .]" 1
498 1 41 ASP HB3 1 73 TYR HB2 3.400 . 5.000 3.594 2.932 4.789 . 0 0 "[ . 1 . 2 .]" 1
499 1 41 ASP HB3 1 73 TYR QD 3.650 . 5.500 3.330 2.192 4.383 . 0 0 "[ . 1 . 2 .]" 1
500 1 41 ASP HB3 1 73 TYR QE 3.650 . 5.500 4.570 3.694 5.143 . 0 0 "[ . 1 . 2 .]" 1
501 1 41 ASP HB3 1 73 TYR H 3.400 . 5.000 2.880 2.340 3.368 . 0 0 "[ . 1 . 2 .]" 1
502 1 41 ASP H 1 41 ASP HB2 2.650 . 3.500 2.249 2.084 2.642 . 0 0 "[ . 1 . 2 .]" 1
503 1 41 ASP HB2 1 73 TYR QD 3.650 . 5.500 3.355 2.357 4.564 . 0 0 "[ . 1 . 2 .]" 1
504 1 41 ASP HB2 1 73 TYR QE 3.650 . 5.500 3.631 2.712 4.734 . 0 0 "[ . 1 . 2 .]" 1
505 1 42 ASN HA 1 42 ASN HB2 2.650 . 3.500 2.522 2.389 2.927 . 0 0 "[ . 1 . 2 .]" 1
506 1 42 ASN H 1 42 ASN HA 2.650 . 3.500 2.963 2.935 2.983 . 0 0 "[ . 1 . 2 .]" 1
507 1 42 ASN HA 1 43 HIS H 2.300 . 2.800 2.266 2.235 2.337 . 0 0 "[ . 1 . 2 .]" 1
508 1 42 ASN HA 1 52 CYS HB2 3.400 . 5.000 3.254 2.092 3.628 . 0 0 "[ . 1 . 2 .]" 1
509 1 42 ASN HA 1 73 TYR QD 3.650 . 5.500 3.142 2.287 4.205 . 0 0 "[ . 1 . 2 .]" 1
510 1 42 ASN HA 1 73 TYR QE 3.650 . 5.500 4.612 4.068 5.277 . 0 0 "[ . 1 . 2 .]" 1
511 1 42 ASN H 1 42 ASN HB3 2.650 . 3.500 2.481 2.214 3.308 . 0 0 "[ . 1 . 2 .]" 1
512 1 42 ASN H 1 42 ASN HB2 2.300 . 2.800 2.604 2.068 2.823 0.023 5 0 "[ . 1 . 2 .]" 1
513 1 42 ASN HB2 1 73 TYR QE 3.650 . 5.500 2.800 1.869 4.423 . 0 0 "[ . 1 . 2 .]" 1
514 1 41 ASP H 1 42 ASN H 2.650 . 3.500 2.684 2.572 2.858 . 0 0 "[ . 1 . 2 .]" 1
515 1 12 THR MG 1 43 HIS HA 4.150 . 6.500 4.483 4.360 4.630 . 0 0 "[ . 1 . 2 .]" 1
516 1 43 HIS HA 1 43 HIS HB3 2.650 . 3.500 2.343 2.326 2.359 . 0 0 "[ . 1 . 2 .]" 1
517 1 43 HIS HA 1 43 HIS HB2 2.650 . 3.500 2.620 2.596 2.646 . 0 0 "[ . 1 . 2 .]" 1
518 1 43 HIS HA 1 43 HIS HD2 3.400 . 5.000 4.322 4.196 4.491 . 0 0 "[ . 1 . 2 .]" 1
519 1 43 HIS H 1 43 HIS HA 2.650 . 3.500 2.976 2.959 2.999 . 0 0 "[ . 1 . 2 .]" 1
520 1 43 HIS HA 1 44 SER H 2.300 . 2.800 2.572 2.530 2.638 . 0 0 "[ . 1 . 2 .]" 1
521 1 12 THR MG 1 43 HIS HB3 3.650 . 5.500 3.087 2.958 3.413 . 0 0 "[ . 1 . 2 .]" 1
522 1 38 ALA MB 1 43 HIS HB3 3.650 . 5.500 1.780 1.724 1.846 0.076 6 0 "[ . 1 . 2 .]" 1
523 1 43 HIS HB3 1 43 HIS HD2 2.650 . 3.500 2.852 2.774 2.908 . 0 0 "[ . 1 . 2 .]" 1
524 1 43 HIS HB3 1 44 SER H 2.650 . 3.500 3.494 3.402 3.542 0.042 11 0 "[ . 1 . 2 .]" 1
525 1 12 THR MG 1 43 HIS HB2 3.650 . 5.500 2.298 2.063 2.513 . 0 0 "[ . 1 . 2 .]" 1
526 1 38 ALA MB 1 43 HIS HB2 3.650 . 5.500 2.593 2.314 2.868 . 0 0 "[ . 1 . 2 .]" 1
527 1 43 HIS HB2 1 43 HIS HD2 3.400 . 5.000 3.925 3.846 3.958 . 0 0 "[ . 1 . 2 .]" 1
528 1 43 HIS HB2 1 44 SER H 2.300 . 2.800 2.236 2.103 2.332 . 0 0 "[ . 1 . 2 .]" 1
529 1 42 ASN H 1 43 HIS HD2 3.400 . 5.000 3.506 3.164 4.083 . 0 0 "[ . 1 . 2 .]" 1
530 1 42 ASN H 1 43 HIS H 3.400 . 5.000 4.292 4.119 4.400 . 0 0 "[ . 1 . 2 .]" 1
531 1 43 HIS H 1 52 CYS H 2.650 . 3.500 3.550 3.522 3.585 0.085 4 0 "[ . 1 . 2 .]" 1
532 1 44 SER HA 1 45 CYS H 2.300 . 2.800 2.248 2.211 2.316 . 0 0 "[ . 1 . 2 .]" 1
533 1 44 SER HA 1 51 TRP HE3 2.650 . 3.500 2.587 2.450 2.793 . 0 0 "[ . 1 . 2 .]" 1
534 1 44 SER HA 1 51 TRP HZ3 2.650 . 3.500 3.524 3.509 3.555 0.055 21 0 "[ . 1 . 2 .]" 1
535 1 44 SER QB 1 45 CYS H 2.800 . 3.800 3.322 3.226 3.481 . 0 0 "[ . 1 . 2 .]" 1
536 1 44 SER QB 1 51 TRP HE3 3.550 . 5.300 3.696 3.247 4.132 . 0 0 "[ . 1 . 2 .]" 1
537 1 44 SER QB 1 51 TRP HZ3 3.550 . 5.300 3.211 2.627 3.807 . 0 0 "[ . 1 . 2 .]" 1
538 1 45 CYS HA 1 45 CYS HB3 2.650 . 3.500 2.384 2.331 2.432 . 0 0 "[ . 1 . 2 .]" 1
539 1 45 CYS HA 1 45 CYS HB2 2.650 . 3.500 2.558 2.508 2.630 . 0 0 "[ . 1 . 2 .]" 1
540 1 45 CYS H 1 45 CYS HA 2.650 . 3.500 2.996 2.981 3.003 . 0 0 "[ . 1 . 2 .]" 1
541 1 45 CYS HA 1 46 ALA H 2.650 . 3.500 2.549 2.434 2.632 . 0 0 "[ . 1 . 2 .]" 1
542 1 45 CYS HA 1 47 GLY H 3.400 . 5.000 3.443 3.265 3.731 . 0 0 "[ . 1 . 2 .]" 1
543 1 45 CYS HA 1 69 VAL MG1 3.650 . 5.500 3.577 3.366 3.963 . 0 0 "[ . 1 . 2 .]" 1
544 1 45 CYS HA 1 69 VAL MG2 3.650 . 5.500 4.307 4.218 4.364 . 0 0 "[ . 1 . 2 .]" 1
545 1 43 HIS HE1 1 45 CYS HB3 3.400 . 5.000 3.696 3.545 3.795 . 0 0 "[ . 1 . 2 .]" 1
546 1 45 CYS H 1 45 CYS HB3 3.400 . 5.000 3.205 2.884 3.376 . 0 0 "[ . 1 . 2 .]" 1
547 1 45 CYS HB3 1 46 ALA H 2.650 . 3.500 3.595 3.555 3.622 0.122 24 0 "[ . 1 . 2 .]" 1
548 1 45 CYS HB3 1 69 VAL MG2 4.150 . 6.500 3.783 3.431 3.985 . 0 0 "[ . 1 . 2 .]" 1
549 1 45 CYS HB3 1 75 CYS HB2 3.400 . 5.000 3.440 3.094 4.399 . 0 0 "[ . 1 . 2 .]" 1
550 1 43 HIS HE1 1 45 CYS HB2 3.400 . 5.000 5.050 5.030 5.074 0.074 24 0 "[ . 1 . 2 .]" 1
551 1 45 CYS H 1 45 CYS HB2 3.400 . 5.000 3.699 3.631 3.790 . 0 0 "[ . 1 . 2 .]" 1
552 1 45 CYS HB2 1 46 ALA H 2.650 . 3.500 2.261 2.128 2.454 . 0 0 "[ . 1 . 2 .]" 1
553 1 45 CYS HB2 1 75 CYS HB2 3.400 . 5.000 3.643 3.221 4.759 . 0 0 "[ . 1 . 2 .]" 1
554 1 46 ALA H 1 46 ALA HA 2.300 . 2.800 2.375 2.368 2.381 . 0 0 "[ . 1 . 2 .]" 1
555 1 46 ALA HA 1 47 GLY H 2.650 . 3.500 2.876 2.768 2.983 . 0 0 "[ . 1 . 2 .]" 1
556 1 46 ALA HA 1 66 TYR QD 3.650 . 5.500 3.956 3.244 4.447 . 0 0 "[ . 1 . 2 .]" 1
557 1 46 ALA HA 1 66 TYR QE 3.650 . 5.500 2.909 2.308 3.382 . 0 0 "[ . 1 . 2 .]" 1
558 1 46 ALA MB 1 47 GLY H 3.650 . 5.500 3.658 3.595 3.708 . 0 0 "[ . 1 . 2 .]" 1
559 1 46 ALA MB 1 49 ARG H 3.650 . 5.500 3.477 3.169 3.814 . 0 0 "[ . 1 . 2 .]" 1
560 1 46 ALA MB 1 50 GLY H 3.650 . 5.500 2.538 2.048 3.003 . 0 0 "[ . 1 . 2 .]" 1
561 1 46 ALA MB 1 66 TYR QD 3.900 . 6.000 3.069 2.370 3.516 . 0 0 "[ . 1 . 2 .]" 1
562 1 46 ALA MB 1 66 TYR QE 3.900 . 6.000 3.087 2.101 3.565 . 0 0 "[ . 1 . 2 .]" 1
563 1 47 GLY H 1 47 GLY HA3 2.650 . 3.500 2.885 2.834 2.921 . 0 0 "[ . 1 . 2 .]" 1
564 1 47 GLY HA3 1 48 ASN H 2.650 . 3.500 2.339 2.281 2.419 . 0 0 "[ . 1 . 2 .]" 1
565 1 47 GLY HA3 1 49 ARG H 3.400 . 5.000 3.540 3.294 3.691 . 0 0 "[ . 1 . 2 .]" 1
566 1 47 GLY H 1 47 GLY HA2 2.300 . 2.800 2.352 2.348 2.364 . 0 0 "[ . 1 . 2 .]" 1
567 1 47 GLY HA2 1 48 ASN H 2.650 . 3.500 2.960 2.853 3.049 . 0 0 "[ . 1 . 2 .]" 1
568 1 47 GLY HA2 1 49 ARG H 3.400 . 5.000 4.301 4.223 4.358 . 0 0 "[ . 1 . 2 .]" 1
569 1 46 ALA H 1 47 GLY H 2.650 . 3.500 2.856 2.685 2.942 . 0 0 "[ . 1 . 2 .]" 1
570 1 48 ASN HA 1 48 ASN HB3 2.650 . 3.500 2.729 2.458 3.032 . 0 0 "[ . 1 . 2 .]" 1
571 1 48 ASN HA 1 48 ASN HB2 2.650 . 3.500 2.745 2.405 3.033 . 0 0 "[ . 1 . 2 .]" 1
572 1 48 ASN H 1 48 ASN HA 2.300 . 2.800 2.930 2.923 2.936 0.136 2 0 "[ . 1 . 2 .]" 1
573 1 48 ASN HA 1 49 ARG H 2.650 . 3.500 2.933 2.841 3.083 . 0 0 "[ . 1 . 2 .]" 1
574 1 48 ASN H 1 48 ASN HB3 3.400 . 5.000 2.986 2.291 3.557 . 0 0 "[ . 1 . 2 .]" 1
575 1 48 ASN H 1 48 ASN HB2 3.400 . 5.000 2.519 1.997 3.573 . 0 0 "[ . 1 . 2 .]" 1
576 1 49 ARG HA 1 49 ARG HB3 2.650 . 3.500 2.588 2.431 2.631 . 0 0 "[ . 1 . 2 .]" 1
577 1 49 ARG HA 1 49 ARG HB2 2.650 . 3.500 3.013 3.000 3.030 . 0 0 "[ . 1 . 2 .]" 1
578 1 49 ARG HA 1 49 ARG HD3 3.400 . 5.000 3.637 3.075 4.478 . 0 0 "[ . 1 . 2 .]" 1
579 1 49 ARG HA 1 49 ARG HD2 3.400 . 5.000 4.002 2.574 4.617 . 0 0 "[ . 1 . 2 .]" 1
580 1 49 ARG HA 1 49 ARG HG3 3.400 . 5.000 3.420 3.061 3.653 . 0 0 "[ . 1 . 2 .]" 1
581 1 49 ARG HA 1 49 ARG HG2 2.650 . 3.500 2.182 2.096 2.606 . 0 0 "[ . 1 . 2 .]" 1
582 1 49 ARG H 1 49 ARG HA 2.650 . 3.500 2.987 2.968 2.992 . 0 0 "[ . 1 . 2 .]" 1
583 1 49 ARG HA 1 50 GLY H 2.650 . 3.500 3.558 3.538 3.580 0.080 7 0 "[ . 1 . 2 .]" 1
584 1 46 ALA MB 1 49 ARG HB3 3.650 . 5.500 3.553 3.040 3.966 . 0 0 "[ . 1 . 2 .]" 1
585 1 49 ARG H 1 49 ARG HB3 2.650 . 3.500 3.566 3.522 3.609 0.109 19 0 "[ . 1 . 2 .]" 1
586 1 49 ARG HB3 1 50 GLY H 3.400 . 5.000 3.566 3.338 3.826 . 0 0 "[ . 1 . 2 .]" 1
587 1 49 ARG HB3 1 77 ARG HE 2.650 . 3.500 3.378 2.934 3.537 0.037 8 0 "[ . 1 . 2 .]" 1
588 1 49 ARG H 1 49 ARG HB2 2.650 . 3.500 2.293 2.209 2.445 . 0 0 "[ . 1 . 2 .]" 1
589 1 49 ARG HB2 1 50 GLY H 3.400 . 5.000 2.771 2.609 2.894 . 0 0 "[ . 1 . 2 .]" 1
590 1 49 ARG HB3 1 49 ARG HD3 3.400 . 5.000 2.691 1.934 3.540 . 0 0 "[ . 1 . 2 .]" 1
591 1 49 ARG H 1 49 ARG HG3 2.650 . 3.500 3.345 2.175 3.538 0.038 8 0 "[ . 1 . 2 .]" 1
592 1 49 ARG H 1 49 ARG HG2 2.650 . 3.500 3.450 2.909 3.529 0.029 17 0 "[ . 1 . 2 .]" 1
593 1 48 ASN H 1 49 ARG H 2.650 . 3.500 3.105 2.831 3.262 . 0 0 "[ . 1 . 2 .]" 1
594 1 49 ARG H 1 50 GLY H 2.300 . 2.800 2.072 1.994 2.233 . 0 0 "[ . 1 . 2 .]" 1
595 1 46 ALA MB 1 50 GLY HA3 3.650 . 5.500 2.739 2.309 3.285 . 0 0 "[ . 1 . 2 .]" 1
596 1 50 GLY H 1 50 GLY HA3 2.650 . 3.500 2.547 2.494 2.587 . 0 0 "[ . 1 . 2 .]" 1
597 1 50 GLY HA3 1 51 TRP H 2.650 . 3.500 2.764 2.670 2.847 . 0 0 "[ . 1 . 2 .]" 1
598 1 50 GLY HA3 1 77 ARG HG2 3.400 . 5.000 2.043 1.822 2.601 . 0 0 "[ . 1 . 2 .]" 1
599 1 50 GLY HA3 1 78 SER H 3.400 . 5.000 5.050 5.017 5.109 0.109 10 0 "[ . 1 . 2 .]" 1
600 1 46 ALA MB 1 50 GLY HA2 4.150 . 6.500 4.038 3.661 4.517 . 0 0 "[ . 1 . 2 .]" 1
601 1 50 GLY H 1 50 GLY HA2 2.650 . 3.500 2.995 2.992 2.998 . 0 0 "[ . 1 . 2 .]" 1
602 1 50 GLY HA2 1 51 TRP H 2.650 . 3.500 2.442 2.366 2.543 . 0 0 "[ . 1 . 2 .]" 1
603 1 50 GLY HA2 1 77 ARG HG2 3.400 . 5.000 2.509 2.190 3.251 . 0 0 "[ . 1 . 2 .]" 1
604 1 44 SER HA 1 51 TRP HA 2.650 . 3.500 2.070 1.861 2.456 . 0 0 "[ . 1 . 2 .]" 1
605 1 45 CYS H 1 51 TRP HA 2.650 . 3.500 2.414 2.052 3.068 . 0 0 "[ . 1 . 2 .]" 1
606 1 51 TRP HA 1 51 TRP HE3 3.400 . 5.000 2.739 2.323 3.053 . 0 0 "[ . 1 . 2 .]" 1
607 1 51 TRP H 1 51 TRP HA 2.650 . 3.500 2.993 2.976 3.001 . 0 0 "[ . 1 . 2 .]" 1
608 1 51 TRP HA 1 52 CYS H 2.300 . 2.800 2.544 2.432 2.621 . 0 0 "[ . 1 . 2 .]" 1
609 1 51 TRP HB3 1 51 TRP HE3 2.650 . 3.500 2.913 2.757 3.098 . 0 0 "[ . 1 . 2 .]" 1
610 1 51 TRP H 1 51 TRP HB3 2.650 . 3.500 3.523 3.490 3.600 0.100 10 0 "[ . 1 . 2 .]" 1
611 1 51 TRP HB3 1 52 CYS H 3.400 . 5.000 2.571 2.378 2.833 . 0 0 "[ . 1 . 2 .]" 1
612 1 51 TRP HB2 1 51 TRP HD1 2.650 . 3.500 2.536 2.524 2.572 . 0 0 "[ . 1 . 2 .]" 1
613 1 51 TRP HB2 1 51 TRP HE3 3.400 . 5.000 4.238 4.207 4.248 . 0 0 "[ . 1 . 2 .]" 1
614 1 51 TRP H 1 51 TRP HB2 2.650 . 3.500 2.479 2.395 2.576 . 0 0 "[ . 1 . 2 .]" 1
615 1 51 TRP HB2 1 52 CYS H 3.400 . 5.000 3.954 3.818 4.123 . 0 0 "[ . 1 . 2 .]" 1
616 1 51 TRP HB2 1 76 CYS H 3.400 . 5.000 4.873 4.747 4.999 . 0 0 "[ . 1 . 2 .]" 1
617 1 52 CYS H 1 52 CYS HA 2.650 . 3.500 2.994 2.975 3.004 . 0 0 "[ . 1 . 2 .]" 1
618 1 52 CYS HA 1 53 ARG H 2.300 . 2.800 2.211 2.172 2.270 . 0 0 "[ . 1 . 2 .]" 1
619 1 52 CYS HA 1 70 CYS QB 3.550 . 5.300 4.465 3.585 4.763 . 0 0 "[ . 1 . 2 .]" 1
620 1 52 CYS HA 1 74 PHE H 3.400 . 5.000 4.199 3.849 4.429 . 0 0 "[ . 1 . 2 .]" 1
621 1 52 CYS HA 1 76 CYS HB2 3.400 . 5.000 5.042 5.002 5.084 0.084 21 0 "[ . 1 . 2 .]" 1
622 1 52 CYS HA 1 76 CYS H 2.650 . 3.500 3.005 2.794 3.226 . 0 0 "[ . 1 . 2 .]" 1
623 1 52 CYS H 1 52 CYS HB3 2.650 . 3.500 2.816 2.638 3.573 0.073 10 0 "[ . 1 . 2 .]" 1
624 1 52 CYS HB3 1 53 ARG H 3.400 . 5.000 4.161 3.806 4.285 . 0 0 "[ . 1 . 2 .]" 1
625 1 52 CYS H 1 52 CYS HB2 2.650 . 3.500 2.522 2.252 2.656 . 0 0 "[ . 1 . 2 .]" 1
626 1 52 CYS HB2 1 53 ARG H 3.400 . 5.000 4.559 4.484 4.620 . 0 0 "[ . 1 . 2 .]" 1
627 1 52 CYS HB2 1 70 CYS QB 3.550 . 5.300 4.546 3.702 4.857 . 0 0 "[ . 1 . 2 .]" 1
628 1 53 ARG HA 1 53 ARG HD3 3.400 . 5.000 4.777 4.680 4.857 . 0 0 "[ . 1 . 2 .]" 1
629 1 53 ARG HA 1 53 ARG HD2 3.400 . 5.000 4.275 4.089 4.482 . 0 0 "[ . 1 . 2 .]" 1
630 1 53 ARG HA 1 54 SER H 2.300 . 2.800 2.368 2.261 2.519 . 0 0 "[ . 1 . 2 .]" 1
631 1 53 ARG HA 1 73 TYR QE 3.650 . 5.500 4.557 3.625 5.278 . 0 0 "[ . 1 . 2 .]" 1
632 1 53 ARG H 1 53 ARG HB3 3.400 . 5.000 3.799 3.727 3.829 . 0 0 "[ . 1 . 2 .]" 1
633 1 53 ARG HB3 1 54 SER H 2.650 . 3.500 2.977 2.635 3.292 . 0 0 "[ . 1 . 2 .]" 1
634 1 53 ARG HB3 1 55 LYS H 2.650 . 3.500 3.332 2.874 3.524 0.024 15 0 "[ . 1 . 2 .]" 1
635 1 53 ARG H 1 53 ARG HB2 3.400 . 5.000 2.742 2.594 2.891 . 0 0 "[ . 1 . 2 .]" 1
636 1 53 ARG HB2 1 54 SER H 3.400 . 5.000 3.729 3.288 4.069 . 0 0 "[ . 1 . 2 .]" 1
637 1 53 ARG H 1 53 ARG HD3 3.400 . 5.000 4.146 3.744 4.382 . 0 0 "[ . 1 . 2 .]" 1
638 1 53 ARG HD3 1 76 CYS H 3.400 . 5.000 4.427 4.259 4.575 . 0 0 "[ . 1 . 2 .]" 1
639 1 53 ARG HB3 1 53 ARG HD2 2.650 . 3.500 3.581 3.511 3.648 0.148 6 0 "[ . 1 . 2 .]" 1
640 1 53 ARG HB2 1 53 ARG HD2 3.400 . 5.000 2.325 2.208 2.423 . 0 0 "[ . 1 . 2 .]" 1
641 1 53 ARG H 1 53 ARG HD2 3.400 . 5.000 2.680 2.148 3.095 . 0 0 "[ . 1 . 2 .]" 1
642 1 53 ARG HD2 1 76 CYS H 2.300 . 2.800 2.835 2.787 2.865 0.065 11 0 "[ . 1 . 2 .]" 1
643 1 53 ARG H 1 53 ARG QG 3.550 . 5.300 2.753 2.536 3.086 . 0 0 "[ . 1 . 2 .]" 1
644 1 53 ARG QG 1 76 CYS H 3.550 . 5.300 4.350 4.045 4.548 . 0 0 "[ . 1 . 2 .]" 1
645 1 54 SER HA 1 54 SER HB3 2.650 . 3.500 2.775 2.341 3.039 . 0 0 "[ . 1 . 2 .]" 1
646 1 54 SER H 1 54 SER HA 2.650 . 3.500 2.815 2.784 2.871 . 0 0 "[ . 1 . 2 .]" 1
647 1 54 SER HA 1 55 LYS H 2.650 . 3.500 3.548 3.528 3.562 0.062 10 0 "[ . 1 . 2 .]" 1
648 1 54 SER HA 1 73 TYR QD 3.650 . 5.500 2.503 1.849 3.452 . 0 0 "[ . 1 . 2 .]" 1
649 1 54 SER HA 1 73 TYR QE 3.650 . 5.500 3.809 3.311 4.372 . 0 0 "[ . 1 . 2 .]" 1
650 1 54 SER HA 1 74 PHE QD 3.650 . 5.500 3.541 2.626 4.785 . 0 0 "[ . 1 . 2 .]" 1
651 1 54 SER HA 1 74 PHE H 3.400 . 5.000 3.457 3.001 3.753 . 0 0 "[ . 1 . 2 .]" 1
652 1 54 SER H 1 54 SER HB3 2.650 . 3.500 2.239 1.944 3.532 0.032 14 0 "[ . 1 . 2 .]" 1
653 1 54 SER HB3 1 73 TYR QD 3.650 . 5.500 3.857 2.904 5.037 . 0 0 "[ . 1 . 2 .]" 1
654 1 54 SER HB3 1 73 TYR QE 3.650 . 5.500 3.588 2.316 4.946 . 0 0 "[ . 1 . 2 .]" 1
655 1 54 SER H 1 54 SER HB2 2.650 . 3.500 3.109 2.157 3.533 0.033 1 0 "[ . 1 . 2 .]" 1
656 1 54 SER HB2 1 73 TYR QD 3.650 . 5.500 3.696 2.207 4.943 . 0 0 "[ . 1 . 2 .]" 1
657 1 54 SER HB2 1 73 TYR QE 3.650 . 5.500 3.482 2.391 4.737 . 0 0 "[ . 1 . 2 .]" 1
658 1 55 LYS HA 1 55 LYS HB3 2.650 . 3.500 2.830 2.387 2.945 . 0 0 "[ . 1 . 2 .]" 1
659 1 55 LYS HA 1 55 LYS HB2 2.650 . 3.500 2.451 2.276 2.978 . 0 0 "[ . 1 . 2 .]" 1
660 1 55 LYS HA 1 55 LYS HG3 3.400 . 5.000 3.274 3.063 4.245 . 0 0 "[ . 1 . 2 .]" 1
661 1 55 LYS H 1 55 LYS HA 2.650 . 3.500 2.985 2.973 2.993 . 0 0 "[ . 1 . 2 .]" 1
662 1 55 LYS HA 1 56 CYS H 2.300 . 2.800 2.533 2.283 2.826 0.026 23 0 "[ . 1 . 2 .]" 1
663 1 55 LYS HA 1 74 PHE QD 3.650 . 5.500 3.330 2.440 4.109 . 0 0 "[ . 1 . 2 .]" 1
664 1 55 LYS HA 1 74 PHE QE 3.650 . 5.500 4.192 3.577 4.834 . 0 0 "[ . 1 . 2 .]" 1
665 1 55 LYS H 1 55 LYS HB3 2.650 . 3.500 2.739 2.375 3.534 0.034 16 0 "[ . 1 . 2 .]" 1
666 1 55 LYS HB3 1 56 CYS H 3.400 . 5.000 3.691 2.037 4.452 . 0 0 "[ . 1 . 2 .]" 1
667 1 55 LYS H 1 55 LYS HB2 2.650 . 3.500 3.339 2.313 3.682 0.182 4 0 "[ . 1 . 2 .]" 1
668 1 55 LYS HB2 1 56 CYS H 3.400 . 5.000 3.398 1.923 3.882 . 0 0 "[ . 1 . 2 .]" 1
669 1 55 LYS H 1 55 LYS HG3 3.400 . 5.000 4.248 3.524 4.530 . 0 0 "[ . 1 . 2 .]" 1
670 1 55 LYS HG3 1 56 CYS H 3.400 . 5.000 2.896 1.861 4.638 . 0 0 "[ . 1 . 2 .]" 1
671 1 55 LYS H 1 55 LYS HG2 2.650 . 3.500 3.433 1.963 3.772 0.272 16 0 "[ . 1 . 2 .]" 1
672 1 55 LYS HG2 1 56 CYS H 2.650 . 3.500 3.199 2.557 3.697 0.197 16 0 "[ . 1 . 2 .]" 1
673 1 54 SER H 1 55 LYS H 2.300 . 2.800 2.828 2.736 2.876 0.076 4 0 "[ . 1 . 2 .]" 1
674 1 56 CYS HA 1 56 CYS HB2 2.650 . 3.500 2.992 2.660 3.032 . 0 0 "[ . 1 . 2 .]" 1
675 1 56 CYS HA 1 57 PHE H 2.300 . 2.800 2.474 2.381 2.587 . 0 0 "[ . 1 . 2 .]" 1
676 1 56 CYS HB3 1 57 PHE H 2.650 . 3.500 2.639 2.381 3.253 . 0 0 "[ . 1 . 2 .]" 1
677 1 56 CYS HB3 1 60 GLU HB3 3.400 . 5.000 3.340 2.718 4.285 . 0 0 "[ . 1 . 2 .]" 1
678 1 56 CYS HB3 1 60 GLU HB2 2.650 . 3.500 3.352 2.890 3.527 0.027 6 0 "[ . 1 . 2 .]" 1
679 1 56 CYS HB3 1 60 GLU H 3.400 . 5.000 4.898 4.616 5.062 0.062 14 0 "[ . 1 . 2 .]" 1
680 1 56 CYS HB3 1 61 TYR H 3.400 . 5.000 4.246 3.746 4.992 . 0 0 "[ . 1 . 2 .]" 1
681 1 56 CYS HB3 1 76 CYS HB3 3.400 . 5.000 2.647 1.882 4.717 . 0 0 "[ . 1 . 2 .]" 1
682 1 56 CYS H 1 56 CYS HB2 2.300 . 2.800 2.677 2.388 2.825 0.025 23 0 "[ . 1 . 2 .]" 1
683 1 56 CYS HB2 1 60 GLU HB3 3.400 . 5.000 4.602 4.104 5.021 0.021 2 0 "[ . 1 . 2 .]" 1
684 1 56 CYS HB2 1 76 CYS HB3 3.400 . 5.000 3.724 3.446 4.320 . 0 0 "[ . 1 . 2 .]" 1
685 1 57 PHE HA 1 57 PHE QD 2.900 . 4.000 2.457 1.930 3.070 . 0 0 "[ . 1 . 2 .]" 1
686 1 57 PHE H 1 57 PHE HA 2.650 . 3.500 2.927 2.919 2.955 . 0 0 "[ . 1 . 2 .]" 1
687 1 57 PHE HA 1 58 ARG H 2.300 . 2.800 2.598 2.435 2.785 . 0 0 "[ . 1 . 2 .]" 1
688 1 57 PHE H 1 57 PHE HB3 2.650 . 3.500 3.498 3.329 3.541 0.041 20 0 "[ . 1 . 2 .]" 1
689 1 57 PHE HB3 1 58 ARG H 2.300 . 2.800 2.293 1.961 2.701 . 0 0 "[ . 1 . 2 .]" 1
690 1 57 PHE HB3 1 59 HIS H 3.400 . 5.000 3.023 2.704 3.415 . 0 0 "[ . 1 . 2 .]" 1
691 1 57 PHE H 1 57 PHE HB2 2.650 . 3.500 2.297 1.996 2.561 . 0 0 "[ . 1 . 2 .]" 1
692 1 57 PHE HB2 1 58 ARG H 2.650 . 3.500 3.461 3.259 3.534 0.034 16 0 "[ . 1 . 2 .]" 1
693 1 57 PHE HB2 1 59 HIS H 3.400 . 5.000 3.650 3.120 4.149 . 0 0 "[ . 1 . 2 .]" 1
694 1 57 PHE HB2 1 60 GLU HG3 3.400 . 5.000 3.506 2.993 4.132 . 0 0 "[ . 1 . 2 .]" 1
695 1 57 PHE HB2 1 60 GLU HG2 3.400 . 5.000 4.852 4.215 5.025 0.025 15 0 "[ . 1 . 2 .]" 1
696 1 57 PHE H 1 57 PHE QD 3.650 . 5.500 2.617 1.846 3.392 . 0 0 "[ . 1 . 2 .]" 1
697 1 57 PHE QD 1 58 ARG H 3.650 . 5.500 3.675 2.535 4.222 . 0 0 "[ . 1 . 2 .]" 1
698 1 57 PHE QD 1 59 HIS H 3.650 . 5.500 4.815 4.173 5.225 . 0 0 "[ . 1 . 2 .]" 1
699 1 58 ARG HA 1 58 ARG HB3 2.650 . 3.500 2.966 2.377 3.006 . 0 0 "[ . 1 . 2 .]" 1
700 1 58 ARG HA 1 58 ARG HB2 2.650 . 3.500 2.659 2.579 2.697 . 0 0 "[ . 1 . 2 .]" 1
701 1 58 ARG HA 1 58 ARG QD 3.550 . 5.300 3.685 2.766 4.022 . 0 0 "[ . 1 . 2 .]" 1
702 1 58 ARG HA 1 58 ARG HG2 2.650 . 3.500 2.900 2.087 3.512 0.012 21 0 "[ . 1 . 2 .]" 1
703 1 58 ARG H 1 58 ARG HA 2.300 . 2.800 2.899 2.841 2.930 0.130 14 0 "[ . 1 . 2 .]" 1
704 1 58 ARG HA 1 60 GLU H 2.650 . 3.500 3.580 3.554 3.610 0.110 15 0 "[ . 1 . 2 .]" 1
705 1 58 ARG H 1 58 ARG HB3 2.300 . 2.800 2.769 2.658 2.829 0.029 18 0 "[ . 1 . 2 .]" 1
706 1 58 ARG HB3 1 59 HIS H 3.400 . 5.000 2.596 2.370 4.031 . 0 0 "[ . 1 . 2 .]" 1
707 1 58 ARG H 1 58 ARG HB2 2.650 . 3.500 2.232 2.092 3.516 0.016 2 0 "[ . 1 . 2 .]" 1
708 1 58 ARG HB2 1 59 HIS H 2.650 . 3.500 3.508 3.468 3.527 0.027 9 0 "[ . 1 . 2 .]" 1
709 1 58 ARG HB3 1 58 ARG QD 3.550 . 5.300 2.579 1.910 3.280 . 0 0 "[ . 1 . 2 .]" 1
710 1 58 ARG H 1 58 ARG QD 3.550 . 5.300 4.075 2.355 4.515 . 0 0 "[ . 1 . 2 .]" 1
711 1 58 ARG H 1 58 ARG HG3 3.400 . 5.000 4.187 3.360 4.355 . 0 0 "[ . 1 . 2 .]" 1
712 1 58 ARG HG3 1 59 HIS H 3.400 . 5.000 4.764 2.924 5.038 0.038 14 0 "[ . 1 . 2 .]" 1
713 1 58 ARG H 1 58 ARG HG2 3.400 . 5.000 4.407 1.848 4.635 . 0 0 "[ . 1 . 2 .]" 1
714 1 58 ARG HG2 1 59 HIS H 3.400 . 5.000 4.328 1.835 4.802 . 0 0 "[ . 1 . 2 .]" 1
715 1 58 ARG H 1 59 HIS H 2.650 . 3.500 2.534 2.384 2.762 . 0 0 "[ . 1 . 2 .]" 1
716 1 59 HIS HA 1 59 HIS HB2 2.650 . 3.500 2.789 2.422 3.036 . 0 0 "[ . 1 . 2 .]" 1
717 1 59 HIS HA 1 59 HIS HD2 3.400 . 5.000 3.678 2.133 4.823 . 0 0 "[ . 1 . 2 .]" 1
718 1 59 HIS HA 1 60 GLU H 3.400 . 5.000 3.395 3.243 3.502 . 0 0 "[ . 1 . 2 .]" 1
719 1 59 HIS HB3 1 59 HIS HD2 3.400 . 5.000 3.640 2.816 4.000 . 0 0 "[ . 1 . 2 .]" 1
720 1 59 HIS H 1 59 HIS HB3 2.650 . 3.500 3.071 2.388 3.522 0.022 20 0 "[ . 1 . 2 .]" 1
721 1 59 HIS HB2 1 59 HIS HD2 2.650 . 3.500 3.069 2.751 3.497 . 0 0 "[ . 1 . 2 .]" 1
722 1 59 HIS H 1 59 HIS HB2 2.650 . 3.500 2.180 1.934 3.534 0.034 8 0 "[ . 1 . 2 .]" 1
723 1 60 GLU HA 1 60 GLU HG3 3.400 . 5.000 3.105 2.445 3.782 . 0 0 "[ . 1 . 2 .]" 1
724 1 60 GLU HA 1 60 GLU HG2 3.400 . 5.000 2.265 2.077 2.834 . 0 0 "[ . 1 . 2 .]" 1
725 1 60 GLU H 1 60 GLU HA 2.650 . 3.500 2.998 2.991 3.003 . 0 0 "[ . 1 . 2 .]" 1
726 1 60 GLU HA 1 61 TYR QD 3.650 . 5.500 2.870 2.705 3.143 . 0 0 "[ . 1 . 2 .]" 1
727 1 60 GLU HA 1 61 TYR H 2.300 . 2.800 2.606 2.432 2.765 . 0 0 "[ . 1 . 2 .]" 1
728 1 60 GLU HA 1 79 ARG H 2.650 . 3.500 3.212 2.635 3.528 0.028 4 0 "[ . 1 . 2 .]" 1
729 1 60 GLU H 1 60 GLU HB3 2.650 . 3.500 3.582 3.512 3.722 0.222 12 0 "[ . 1 . 2 .]" 1
730 1 60 GLU HB3 1 61 TYR H 2.650 . 3.500 2.282 1.921 2.727 . 0 0 "[ . 1 . 2 .]" 1
731 1 60 GLU HB3 1 77 ARG H 3.400 . 5.000 3.139 2.790 3.467 . 0 0 "[ . 1 . 2 .]" 1
732 1 57 PHE H 1 60 GLU HB2 2.650 . 3.500 2.911 2.407 3.455 . 0 0 "[ . 1 . 2 .]" 1
733 1 60 GLU H 1 60 GLU HB2 2.650 . 3.500 2.362 2.275 2.655 . 0 0 "[ . 1 . 2 .]" 1
734 1 60 GLU HB2 1 61 TYR H 3.400 . 5.000 3.597 3.192 4.023 . 0 0 "[ . 1 . 2 .]" 1
735 1 57 PHE HB3 1 60 GLU HG3 3.400 . 5.000 4.774 4.048 5.022 0.022 10 0 "[ . 1 . 2 .]" 1
736 1 57 PHE H 1 60 GLU HG3 3.400 . 5.000 4.578 3.546 5.009 0.009 25 0 "[ . 1 . 2 .]" 1
737 1 59 HIS H 1 60 GLU HG3 3.400 . 5.000 4.754 4.370 5.028 0.028 3 0 "[ . 1 . 2 .]" 1
738 1 60 GLU H 1 60 GLU HG3 2.650 . 3.500 3.321 2.628 3.526 0.026 8 0 "[ . 1 . 2 .]" 1
739 1 60 GLU HG3 1 61 TYR H 3.400 . 5.000 4.735 4.434 5.017 0.017 3 0 "[ . 1 . 2 .]" 1
740 1 60 GLU H 1 60 GLU HG2 3.400 . 5.000 3.869 2.694 4.523 . 0 0 "[ . 1 . 2 .]" 1
741 1 60 GLU HG2 1 61 TYR H 3.400 . 5.000 3.843 3.369 4.624 . 0 0 "[ . 1 . 2 .]" 1
742 1 59 HIS H 1 60 GLU H 2.650 . 3.500 2.706 2.631 2.828 . 0 0 "[ . 1 . 2 .]" 1
743 1 61 TYR HA 1 61 TYR HB3 2.650 . 3.500 2.518 2.475 2.571 . 0 0 "[ . 1 . 2 .]" 1
744 1 61 TYR HA 1 61 TYR HB2 2.650 . 3.500 2.428 2.379 2.461 . 0 0 "[ . 1 . 2 .]" 1
745 1 61 TYR HA 1 61 TYR QD 3.650 . 5.500 3.671 3.650 3.690 . 0 0 "[ . 1 . 2 .]" 1
746 1 61 TYR H 1 61 TYR HA 2.650 . 3.500 2.983 2.954 3.001 . 0 0 "[ . 1 . 2 .]" 1
747 1 61 TYR HA 1 62 VAL H 2.300 . 2.800 2.740 2.560 2.814 0.014 1 0 "[ . 1 . 2 .]" 1
748 1 61 TYR HB3 1 61 TYR QD 2.900 . 4.000 2.594 2.529 2.643 . 0 0 "[ . 1 . 2 .]" 1
749 1 61 TYR H 1 61 TYR HB3 3.400 . 5.000 3.118 3.013 3.214 . 0 0 "[ . 1 . 2 .]" 1
750 1 61 TYR HB3 1 62 VAL H 2.650 . 3.500 3.573 3.545 3.645 0.145 5 0 "[ . 1 . 2 .]" 1
751 1 61 TYR HB2 1 61 TYR QD 2.900 . 4.000 2.318 2.309 2.340 . 0 0 "[ . 1 . 2 .]" 1
752 1 61 TYR H 1 61 TYR HB2 3.400 . 5.000 3.870 3.784 3.958 . 0 0 "[ . 1 . 2 .]" 1
753 1 61 TYR HB2 1 62 VAL H 2.650 . 3.500 2.064 1.997 2.180 . 0 0 "[ . 1 . 2 .]" 1
754 1 61 TYR H 1 61 TYR QD 2.900 . 4.000 1.860 1.823 1.973 . 0 0 "[ . 1 . 2 .]" 1
755 1 61 TYR QD 1 62 VAL H 3.650 . 5.500 2.585 2.295 2.951 . 0 0 "[ . 1 . 2 .]" 1
756 1 61 TYR QD 1 64 THR H 3.650 . 5.500 3.743 3.583 3.990 . 0 0 "[ . 1 . 2 .]" 1
757 1 61 TYR H 1 61 TYR QE 3.650 . 5.500 3.736 3.641 3.890 . 0 0 "[ . 1 . 2 .]" 1
758 1 61 TYR QE 1 64 THR H 3.650 . 5.500 3.394 3.176 3.588 . 0 0 "[ . 1 . 2 .]" 1
759 1 62 VAL HA 1 62 VAL HB 2.650 . 3.500 3.029 3.019 3.037 . 0 0 "[ . 1 . 2 .]" 1
760 1 62 VAL HA 1 62 VAL MG1 2.900 . 4.000 2.450 2.367 2.571 . 0 0 "[ . 1 . 2 .]" 1
761 1 62 VAL H 1 62 VAL HA 2.650 . 3.500 2.998 2.968 3.005 . 0 0 "[ . 1 . 2 .]" 1
762 1 62 VAL HA 1 63 ASP H 2.300 . 2.800 2.331 2.268 2.370 . 0 0 "[ . 1 . 2 .]" 1
763 1 62 VAL H 1 62 VAL HB 2.300 . 2.800 2.362 2.234 2.461 . 0 0 "[ . 1 . 2 .]" 1
764 1 62 VAL HB 1 63 ASP H 3.400 . 5.000 4.540 4.494 4.567 . 0 0 "[ . 1 . 2 .]" 1
765 1 62 VAL HB 1 64 THR MG 3.650 . 5.500 3.876 3.650 4.113 . 0 0 "[ . 1 . 2 .]" 1
766 1 62 VAL H 1 62 VAL MG1 3.650 . 5.500 3.714 3.663 3.769 . 0 0 "[ . 1 . 2 .]" 1
767 1 62 VAL MG1 1 63 ASP H 3.650 . 5.500 3.478 3.327 3.580 . 0 0 "[ . 1 . 2 .]" 1
768 1 62 VAL MG1 1 64 THR H 3.650 . 5.500 3.758 3.534 3.985 . 0 0 "[ . 1 . 2 .]" 1
769 1 62 VAL MG1 1 74 PHE QD 3.900 . 6.000 2.775 1.931 3.323 . 0 0 "[ . 1 . 2 .]" 1
770 1 62 VAL MG1 1 74 PHE QE 3.900 . 6.000 4.354 3.864 4.612 . 0 0 "[ . 1 . 2 .]" 1
771 1 62 VAL MG1 1 75 CYS H 3.650 . 5.500 3.328 2.818 3.924 . 0 0 "[ . 1 . 2 .]" 1
772 1 56 CYS H 1 62 VAL MG2 3.650 . 5.500 3.879 3.069 4.650 . 0 0 "[ . 1 . 2 .]" 1
773 1 62 VAL H 1 62 VAL MG2 2.900 . 4.000 2.826 2.522 3.083 . 0 0 "[ . 1 . 2 .]" 1
774 1 62 VAL MG2 1 63 ASP H 3.650 . 5.500 4.231 4.117 4.283 . 0 0 "[ . 1 . 2 .]" 1
775 1 62 VAL MG2 1 74 PHE QD 3.900 . 6.000 3.320 2.602 3.855 . 0 0 "[ . 1 . 2 .]" 1
776 1 62 VAL MG2 1 74 PHE QE 4.400 . 7.000 4.695 4.291 4.991 . 0 0 "[ . 1 . 2 .]" 1
777 1 62 VAL MG2 1 75 CYS H 4.150 . 6.500 4.934 4.257 5.287 . 0 0 "[ . 1 . 2 .]" 1
778 1 61 TYR QD 1 63 ASP HA 3.650 . 5.500 3.280 3.015 3.563 . 0 0 "[ . 1 . 2 .]" 1
779 1 61 TYR QE 1 63 ASP HA 3.650 . 5.500 1.853 1.827 1.873 . 0 0 "[ . 1 . 2 .]" 1
780 1 63 ASP HA 1 63 ASP HB3 2.650 . 3.500 2.709 2.348 3.032 . 0 0 "[ . 1 . 2 .]" 1
781 1 63 ASP H 1 63 ASP HA 2.650 . 3.500 2.773 2.725 2.817 . 0 0 "[ . 1 . 2 .]" 1
782 1 63 ASP HA 1 64 THR H 2.300 . 2.800 2.317 2.290 2.335 . 0 0 "[ . 1 . 2 .]" 1
783 1 63 ASP HA 1 65 TYR H 3.400 . 5.000 3.417 3.306 3.560 . 0 0 "[ . 1 . 2 .]" 1
784 1 61 TYR QD 1 63 ASP HB3 4.150 . 6.500 5.254 4.536 5.785 . 0 0 "[ . 1 . 2 .]" 1
785 1 61 TYR QE 1 63 ASP HB3 3.650 . 5.500 3.888 2.875 4.652 . 0 0 "[ . 1 . 2 .]" 1
786 1 63 ASP H 1 63 ASP HB3 2.650 . 3.500 2.823 2.465 3.521 0.021 5 0 "[ . 1 . 2 .]" 1
787 1 63 ASP HB3 1 64 THR H 3.400 . 5.000 4.428 4.189 4.588 . 0 0 "[ . 1 . 2 .]" 1
788 1 63 ASP HB3 1 66 TYR QD 4.150 . 6.500 3.942 3.316 4.382 . 0 0 "[ . 1 . 2 .]" 1
789 1 63 ASP HB3 1 77 ARG HG3 3.400 . 5.000 3.515 2.966 4.306 . 0 0 "[ . 1 . 2 .]" 1
790 1 61 TYR QE 1 63 ASP HB2 3.650 . 5.500 3.806 3.455 4.538 . 0 0 "[ . 1 . 2 .]" 1
791 1 63 ASP H 1 63 ASP HB2 2.650 . 3.500 2.757 2.077 3.541 0.041 8 0 "[ . 1 . 2 .]" 1
792 1 63 ASP HB2 1 66 TYR HB2 3.400 . 5.000 3.265 2.354 3.658 . 0 0 "[ . 1 . 2 .]" 1
793 1 63 ASP HB2 1 66 TYR QD 3.650 . 5.500 3.798 2.533 4.572 . 0 0 "[ . 1 . 2 .]" 1
794 1 63 ASP HB2 1 66 TYR H 3.400 . 5.000 3.508 2.435 4.393 . 0 0 "[ . 1 . 2 .]" 1
795 1 64 THR HA 1 64 THR MG 2.900 . 4.000 2.102 1.982 2.247 . 0 0 "[ . 1 . 2 .]" 1
796 1 64 THR H 1 64 THR HA 2.650 . 3.500 2.800 2.751 2.838 . 0 0 "[ . 1 . 2 .]" 1
797 1 64 THR HA 1 67 SER H 2.650 . 3.500 3.460 3.380 3.531 0.031 5 0 "[ . 1 . 2 .]" 1
798 1 62 VAL MG1 1 64 THR HB 4.150 . 6.500 5.180 5.008 5.281 . 0 0 "[ . 1 . 2 .]" 1
799 1 64 THR HA 1 64 THR HB 2.650 . 3.500 2.685 2.606 2.726 . 0 0 "[ . 1 . 2 .]" 1
800 1 64 THR H 1 64 THR HB 2.650 . 3.500 3.474 3.450 3.501 0.001 9 0 "[ . 1 . 2 .]" 1
801 1 64 THR HB 1 65 TYR H 2.650 . 3.500 3.518 3.501 3.552 0.052 5 0 "[ . 1 . 2 .]" 1
802 1 62 VAL MG1 1 64 THR MG 3.900 . 6.000 3.005 2.750 3.366 . 0 0 "[ . 1 . 2 .]" 1
803 1 64 THR H 1 64 THR MG 2.900 . 4.000 2.612 2.362 2.726 . 0 0 "[ . 1 . 2 .]" 1
804 1 65 TYR HA 1 65 TYR HB3 2.650 . 3.500 3.015 3.004 3.033 . 0 0 "[ . 1 . 2 .]" 1
805 1 65 TYR HA 1 65 TYR QD 3.650 . 5.500 2.619 1.918 3.033 . 0 0 "[ . 1 . 2 .]" 1
806 1 65 TYR H 1 65 TYR HA 2.650 . 3.500 2.879 2.857 2.900 . 0 0 "[ . 1 . 2 .]" 1
807 1 65 TYR HA 1 66 TYR H 3.400 . 5.000 3.589 3.577 3.597 . 0 0 "[ . 1 . 2 .]" 1
808 1 65 TYR H 1 65 TYR HB3 2.300 . 2.800 2.674 2.502 2.757 . 0 0 "[ . 1 . 2 .]" 1
809 1 65 TYR HB3 1 66 TYR H 2.650 . 3.500 2.291 2.117 2.436 . 0 0 "[ . 1 . 2 .]" 1
810 1 65 TYR HB2 1 65 TYR QD 2.900 . 4.000 2.490 2.309 2.723 . 0 0 "[ . 1 . 2 .]" 1
811 1 65 TYR H 1 65 TYR HB2 2.300 . 2.800 2.212 2.141 2.341 . 0 0 "[ . 1 . 2 .]" 1
812 1 65 TYR HB2 1 66 TYR H 2.650 . 3.500 3.530 3.505 3.575 0.075 24 0 "[ . 1 . 2 .]" 1
813 1 65 TYR H 1 65 TYR QD 3.650 . 5.500 4.029 3.920 4.117 . 0 0 "[ . 1 . 2 .]" 1
814 1 64 THR H 1 65 TYR H 2.650 . 3.500 2.821 2.709 2.944 . 0 0 "[ . 1 . 2 .]" 1
815 1 65 TYR QD 1 66 TYR HA 3.650 . 5.500 3.747 3.131 4.683 . 0 0 "[ . 1 . 2 .]" 1
816 1 66 TYR HA 1 66 TYR HB3 2.650 . 3.500 2.659 2.590 2.722 . 0 0 "[ . 1 . 2 .]" 1
817 1 66 TYR HA 1 66 TYR HB2 2.650 . 3.500 2.987 2.956 3.013 . 0 0 "[ . 1 . 2 .]" 1
818 1 66 TYR HA 1 66 TYR QD 2.900 . 4.000 2.792 2.421 2.964 . 0 0 "[ . 1 . 2 .]" 1
819 1 66 TYR H 1 66 TYR HA 2.650 . 3.500 2.939 2.917 2.959 . 0 0 "[ . 1 . 2 .]" 1
820 1 66 TYR HA 1 67 SER H 2.650 . 3.500 3.385 3.348 3.424 . 0 0 "[ . 1 . 2 .]" 1
821 1 7 ILE MD 1 66 TYR HA 3.650 . 5.500 1.799 1.740 1.846 0.060 12 0 "[ . 1 . 2 .]" 1
822 1 7 ILE QG 1 66 TYR HA 3.550 . 5.300 2.103 1.859 2.350 . 0 0 "[ . 1 . 2 .]" 1
823 1 7 ILE MG 1 66 TYR HA 4.150 . 6.500 4.026 3.917 4.156 . 0 0 "[ . 1 . 2 .]" 1
824 1 46 ALA MB 1 66 TYR HB3 3.650 . 5.500 4.108 3.790 4.410 . 0 0 "[ . 1 . 2 .]" 1
825 1 46 ALA H 1 66 TYR HB3 3.400 . 5.000 3.986 3.652 4.445 . 0 0 "[ . 1 . 2 .]" 1
826 1 63 ASP HB2 1 66 TYR HB3 3.400 . 5.000 4.772 3.837 5.035 0.035 10 0 "[ . 1 . 2 .]" 1
827 1 66 TYR HB3 1 66 TYR QD 2.900 . 4.000 2.443 2.370 2.573 . 0 0 "[ . 1 . 2 .]" 1
828 1 66 TYR H 1 66 TYR HB3 2.650 . 3.500 3.451 3.391 3.510 0.010 1 0 "[ . 1 . 2 .]" 1
829 1 66 TYR HB3 1 67 SER H 3.400 . 5.000 3.957 3.861 4.094 . 0 0 "[ . 1 . 2 .]" 1
830 1 66 TYR HB3 1 75 CYS HB3 3.400 . 5.000 2.638 2.352 3.026 . 0 0 "[ . 1 . 2 .]" 1
831 1 66 TYR HB3 1 75 CYS HB2 3.400 . 5.000 2.642 2.115 3.184 . 0 0 "[ . 1 . 2 .]" 1
832 1 46 ALA MB 1 66 TYR HB2 3.650 . 5.500 3.736 3.364 4.057 . 0 0 "[ . 1 . 2 .]" 1
833 1 66 TYR HB2 1 66 TYR QD 2.900 . 4.000 2.392 2.319 2.461 . 0 0 "[ . 1 . 2 .]" 1
834 1 66 TYR H 1 66 TYR HB2 2.650 . 3.500 2.097 2.052 2.180 . 0 0 "[ . 1 . 2 .]" 1
835 1 66 TYR HB2 1 67 SER H 3.400 . 5.000 3.443 3.335 3.589 . 0 0 "[ . 1 . 2 .]" 1
836 1 66 TYR HB2 1 69 VAL MG1 3.650 . 5.500 4.060 3.729 4.244 . 0 0 "[ . 1 . 2 .]" 1
837 1 46 ALA H 1 66 TYR QD 3.650 . 5.500 2.815 2.565 3.168 . 0 0 "[ . 1 . 2 .]" 1
838 1 65 TYR QD 1 66 TYR QD 3.900 . 6.000 3.098 2.250 4.194 . 0 0 "[ . 1 . 2 .]" 1
839 1 65 TYR QE 1 66 TYR QD 4.400 . 7.000 4.970 4.048 5.572 . 0 0 "[ . 1 . 2 .]" 1
840 1 66 TYR H 1 66 TYR QD 3.650 . 5.500 2.654 2.338 2.995 . 0 0 "[ . 1 . 2 .]" 1
841 1 46 ALA H 1 66 TYR QE 3.650 . 5.500 2.586 2.354 2.822 . 0 0 "[ . 1 . 2 .]" 1
842 1 65 TYR QD 1 66 TYR QE 3.900 . 6.000 3.226 2.563 4.262 . 0 0 "[ . 1 . 2 .]" 1
843 1 65 TYR QE 1 66 TYR QE 4.400 . 7.000 4.228 3.280 5.122 . 0 0 "[ . 1 . 2 .]" 1
844 1 65 TYR H 1 66 TYR H 2.300 . 2.800 2.750 2.643 2.824 0.024 5 0 "[ . 1 . 2 .]" 1
845 1 62 VAL MG1 1 67 SER HA 4.150 . 6.500 3.923 3.375 4.255 . 0 0 "[ . 1 . 2 .]" 1
846 1 67 SER H 1 67 SER HA 2.650 . 3.500 2.815 2.790 2.845 . 0 0 "[ . 1 . 2 .]" 1
847 1 67 SER HA 1 68 ALA H 3.400 . 5.000 3.478 3.452 3.498 . 0 0 "[ . 1 . 2 .]" 1
848 1 67 SER HA 1 70 CYS H 3.400 . 5.000 3.677 3.430 3.820 . 0 0 "[ . 1 . 2 .]" 1
849 1 67 SER HA 1 74 PHE QD 3.650 . 5.500 4.509 3.803 4.953 . 0 0 "[ . 1 . 2 .]" 1
850 1 67 SER HA 1 75 CYS HB2 2.650 . 3.500 3.390 2.895 3.536 0.036 3 0 "[ . 1 . 2 .]" 1
851 1 67 SER HA 1 75 CYS H 2.650 . 3.500 2.061 1.816 2.387 . 0 0 "[ . 1 . 2 .]" 1
852 1 67 SER H 1 67 SER QB 2.800 . 3.800 2.061 1.925 2.267 . 0 0 "[ . 1 . 2 .]" 1
853 1 67 SER QB 1 75 CYS H 3.550 . 5.300 3.636 2.982 4.405 . 0 0 "[ . 1 . 2 .]" 1
854 1 66 TYR H 1 67 SER H 2.300 . 2.800 2.501 2.426 2.603 . 0 0 "[ . 1 . 2 .]" 1
855 1 67 SER H 1 68 ALA H 2.300 . 2.800 2.738 2.696 2.813 0.013 3 0 "[ . 1 . 2 .]" 1
856 1 68 ALA H 1 68 ALA HA 2.650 . 3.500 2.880 2.862 2.896 . 0 0 "[ . 1 . 2 .]" 1
857 1 68 ALA HA 1 70 CYS H 3.400 . 5.000 4.079 3.925 4.360 . 0 0 "[ . 1 . 2 .]" 1
858 1 7 ILE MG 1 68 ALA HA 3.650 . 5.500 4.331 4.125 4.536 . 0 0 "[ . 1 . 2 .]" 1
859 1 68 ALA H 1 68 ALA MB 2.900 . 4.000 1.990 1.886 2.133 . 0 0 "[ . 1 . 2 .]" 1
860 1 68 ALA MB 1 69 VAL H 3.650 . 5.500 2.137 1.838 2.506 . 0 0 "[ . 1 . 2 .]" 1
861 1 7 ILE MD 1 68 ALA MB 3.900 . 6.000 3.094 1.563 3.748 0.237 3 0 "[ . 1 . 2 .]" 1
862 1 7 ILE MG 1 68 ALA MB 3.900 . 6.000 1.834 1.699 2.062 0.101 8 0 "[ . 1 . 2 .]" 1
863 1 8 TYR QE 1 68 ALA MB 3.900 . 6.000 2.029 1.704 2.520 0.096 5 0 "[ . 1 . 2 .]" 1
864 1 68 ALA H 1 69 VAL H 2.650 . 3.500 2.939 2.676 3.082 . 0 0 "[ . 1 . 2 .]" 1
865 1 17 VAL MG2 1 69 VAL HA 3.650 . 5.500 4.271 3.634 4.455 . 0 0 "[ . 1 . 2 .]" 1
866 1 69 VAL HA 1 69 VAL HB 2.650 . 3.500 2.526 2.481 2.558 . 0 0 "[ . 1 . 2 .]" 1
867 1 69 VAL HA 1 69 VAL MG2 2.900 . 4.000 2.299 2.210 2.417 . 0 0 "[ . 1 . 2 .]" 1
868 1 69 VAL H 1 69 VAL HA 2.650 . 3.500 2.802 2.760 2.898 . 0 0 "[ . 1 . 2 .]" 1
869 1 69 VAL HA 1 70 CYS H 2.650 . 3.500 3.511 3.485 3.551 0.051 10 0 "[ . 1 . 2 .]" 1
870 1 8 TYR QE 1 69 VAL HA 2.900 . 4.000 2.479 1.880 3.685 . 0 0 "[ . 1 . 2 .]" 1
871 1 11 ALA MB 1 69 VAL HB 3.650 . 5.500 2.596 2.400 2.752 . 0 0 "[ . 1 . 2 .]" 1
872 1 12 THR H 1 69 VAL HB 2.650 . 3.500 3.523 3.479 3.545 0.045 15 0 "[ . 1 . 2 .]" 1
873 1 13 VAL MG1 1 69 VAL HB 3.650 . 5.500 3.006 2.861 3.103 . 0 0 "[ . 1 . 2 .]" 1
874 1 43 HIS HE1 1 69 VAL HB 2.650 . 3.500 3.673 3.643 3.714 0.214 18 0 "[ . 1 . 2 .]" 1
875 1 69 VAL H 1 69 VAL HB 2.650 . 3.500 2.323 2.255 2.401 . 0 0 "[ . 1 . 2 .]" 1
876 1 69 VAL HB 1 70 CYS H 3.400 . 5.000 3.918 3.856 3.979 . 0 0 "[ . 1 . 2 .]" 1
877 1 8 TYR QE 1 69 VAL HB 3.650 . 5.500 3.643 3.073 5.090 . 0 0 "[ . 1 . 2 .]" 1
878 1 12 THR H 1 69 VAL MG1 2.900 . 4.000 3.205 3.138 3.295 . 0 0 "[ . 1 . 2 .]" 1
879 1 43 HIS HE1 1 69 VAL MG1 2.900 . 4.000 1.815 1.782 1.922 0.018 10 0 "[ . 1 . 2 .]" 1
880 1 46 ALA H 1 69 VAL MG1 3.650 . 5.500 4.074 3.929 4.363 . 0 0 "[ . 1 . 2 .]" 1
881 1 66 TYR QD 1 69 VAL MG1 3.900 . 6.000 2.081 1.729 2.217 0.071 5 0 "[ . 1 . 2 .]" 1
882 1 66 TYR QE 1 69 VAL MG1 3.900 . 6.000 3.799 3.271 4.022 . 0 0 "[ . 1 . 2 .]" 1
883 1 69 VAL H 1 69 VAL MG1 2.900 . 4.000 2.355 2.184 2.514 . 0 0 "[ . 1 . 2 .]" 1
884 1 69 VAL MG1 1 70 CYS H 3.650 . 5.500 2.021 1.796 2.149 0.004 21 0 "[ . 1 . 2 .]" 1
885 1 8 TYR QE 1 69 VAL MG1 4.400 . 7.000 4.374 4.091 5.462 . 0 0 "[ . 1 . 2 .]" 1
886 1 12 THR H 1 69 VAL MG2 2.900 . 4.000 1.768 1.683 1.901 0.117 22 0 "[ . 1 . 2 .]" 1
887 1 43 HIS HE1 1 69 VAL MG2 3.650 . 5.500 1.820 1.771 1.861 0.029 18 0 "[ . 1 . 2 .]" 1
888 1 66 TYR QD 1 69 VAL MG2 4.400 . 7.000 3.886 3.588 4.080 . 0 0 "[ . 1 . 2 .]" 1
889 1 69 VAL MG2 1 70 CYS H 3.650 . 5.500 3.848 3.705 3.932 . 0 0 "[ . 1 . 2 .]" 1
890 1 7 ILE MD 1 69 VAL MG2 4.400 . 7.000 3.550 3.278 3.881 . 0 0 "[ . 1 . 2 .]" 1
891 1 7 ILE QG 1 69 VAL MG2 4.300 . 6.800 3.895 3.601 4.274 . 0 0 "[ . 1 . 2 .]" 1
892 1 70 CYS H 1 70 CYS HA 2.650 . 3.500 2.867 2.848 2.888 . 0 0 "[ . 1 . 2 .]" 1
893 1 70 CYS HA 1 71 GLY H 3.400 . 5.000 3.587 3.576 3.594 . 0 0 "[ . 1 . 2 .]" 1
894 1 70 CYS H 1 70 CYS QB 2.800 . 3.800 1.987 1.926 2.473 . 0 0 "[ . 1 . 2 .]" 1
895 1 70 CYS QB 1 73 TYR H 3.550 . 5.300 3.630 2.786 4.277 . 0 0 "[ . 1 . 2 .]" 1
896 1 69 VAL H 1 70 CYS H 2.650 . 3.500 2.780 2.494 2.880 . 0 0 "[ . 1 . 2 .]" 1
897 1 17 VAL MG2 1 71 GLY HA3 3.650 . 5.500 2.438 2.016 2.823 . 0 0 "[ . 1 . 2 .]" 1
898 1 71 GLY HA3 1 72 ARG H 2.300 . 2.800 2.205 2.185 2.269 . 0 0 "[ . 1 . 2 .]" 1
899 1 17 VAL MG2 1 71 GLY HA2 3.650 . 5.500 3.148 2.540 3.645 . 0 0 "[ . 1 . 2 .]" 1
900 1 71 GLY H 1 71 GLY HA2 2.300 . 2.800 2.418 2.365 2.462 . 0 0 "[ . 1 . 2 .]" 1
901 1 71 GLY HA2 1 72 ARG H 2.650 . 3.500 3.272 3.094 3.481 . 0 0 "[ . 1 . 2 .]" 1
902 1 70 CYS H 1 71 GLY H 2.650 . 3.500 2.894 2.679 3.107 . 0 0 "[ . 1 . 2 .]" 1
903 1 72 ARG HA 1 72 ARG HB3 2.650 . 3.500 2.734 2.496 2.996 . 0 0 "[ . 1 . 2 .]" 1
904 1 72 ARG HA 1 72 ARG HB2 2.650 . 3.500 2.935 2.665 3.036 . 0 0 "[ . 1 . 2 .]" 1
905 1 72 ARG HA 1 72 ARG QD 3.550 . 5.300 3.348 1.850 4.105 . 0 0 "[ . 1 . 2 .]" 1
906 1 72 ARG H 1 72 ARG HA 2.650 . 3.500 2.834 2.788 2.917 . 0 0 "[ . 1 . 2 .]" 1
907 1 72 ARG HA 1 73 TYR H 3.400 . 5.000 3.538 3.365 3.589 . 0 0 "[ . 1 . 2 .]" 1
908 1 72 ARG H 1 72 ARG HB3 2.650 . 3.500 3.355 2.836 3.524 0.024 4 0 "[ . 1 . 2 .]" 1
909 1 72 ARG HB3 1 73 TYR QD 3.650 . 5.500 3.201 2.317 4.384 . 0 0 "[ . 1 . 2 .]" 1
910 1 72 ARG HB3 1 73 TYR QE 4.150 . 6.500 3.593 2.648 4.706 . 0 0 "[ . 1 . 2 .]" 1
911 1 72 ARG HB3 1 73 TYR H 3.400 . 5.000 3.226 2.306 3.966 . 0 0 "[ . 1 . 2 .]" 1
912 1 72 ARG H 1 72 ARG HB2 2.300 . 2.800 2.098 1.941 2.443 . 0 0 "[ . 1 . 2 .]" 1
913 1 72 ARG HB2 1 73 TYR QD 3.650 . 5.500 3.497 2.311 4.997 . 0 0 "[ . 1 . 2 .]" 1
914 1 72 ARG HB2 1 73 TYR QE 3.650 . 5.500 4.096 3.150 5.259 . 0 0 "[ . 1 . 2 .]" 1
915 1 72 ARG HB2 1 73 TYR H 3.400 . 5.000 2.965 2.405 3.687 . 0 0 "[ . 1 . 2 .]" 1
916 1 72 ARG HB2 1 72 ARG QD 2.800 . 3.800 2.603 1.951 3.322 . 0 0 "[ . 1 . 2 .]" 1
917 1 72 ARG H 1 72 ARG QD 3.550 . 5.300 3.688 2.070 4.609 . 0 0 "[ . 1 . 2 .]" 1
918 1 54 SER HA 1 73 TYR HA 2.650 . 3.500 2.675 2.323 3.137 . 0 0 "[ . 1 . 2 .]" 1
919 1 73 TYR HA 1 73 TYR QD 2.900 . 4.000 2.415 1.803 3.126 . 0 0 "[ . 1 . 2 .]" 1
920 1 73 TYR H 1 73 TYR HA 2.650 . 3.500 2.958 2.928 3.003 . 0 0 "[ . 1 . 2 .]" 1
921 1 73 TYR HA 1 74 PHE H 2.650 . 3.500 2.625 2.517 2.722 . 0 0 "[ . 1 . 2 .]" 1
922 1 53 ARG H 1 73 TYR HB3 2.650 . 3.500 3.441 3.320 3.526 0.026 6 0 "[ . 1 . 2 .]" 1
923 1 73 TYR H 1 73 TYR HB3 3.400 . 5.000 3.554 3.488 3.680 . 0 0 "[ . 1 . 2 .]" 1
924 1 73 TYR HB3 1 74 PHE H 2.650 . 3.500 2.185 2.000 2.339 . 0 0 "[ . 1 . 2 .]" 1
925 1 73 TYR HB2 1 74 PHE H 2.650 . 3.500 3.402 2.985 3.521 0.021 10 0 "[ . 1 . 2 .]" 1
926 1 53 ARG H 1 73 TYR QD 3.650 . 5.500 4.615 3.837 5.284 . 0 0 "[ . 1 . 2 .]" 1
927 1 54 SER H 1 73 TYR QD 3.650 . 5.500 3.210 2.087 4.330 . 0 0 "[ . 1 . 2 .]" 1
928 1 73 TYR H 1 73 TYR QD 3.650 . 5.500 2.642 1.873 3.449 . 0 0 "[ . 1 . 2 .]" 1
929 1 73 TYR QD 1 74 PHE H 3.650 . 5.500 3.811 3.485 4.151 . 0 0 "[ . 1 . 2 .]" 1
930 1 42 ASN H 1 73 TYR QE 3.650 . 5.500 4.185 2.910 5.244 . 0 0 "[ . 1 . 2 .]" 1
931 1 72 ARG H 1 73 TYR H 2.300 . 2.800 2.767 2.547 2.828 0.028 24 0 "[ . 1 . 2 .]" 1
932 1 62 VAL MG1 1 74 PHE HA 4.150 . 6.500 3.463 3.056 3.893 . 0 0 "[ . 1 . 2 .]" 1
933 1 67 SER HA 1 74 PHE HA 3.400 . 5.000 2.913 2.362 3.249 . 0 0 "[ . 1 . 2 .]" 1
934 1 70 CYS QB 1 74 PHE HA 3.550 . 5.300 2.756 2.533 2.969 . 0 0 "[ . 1 . 2 .]" 1
935 1 74 PHE HA 1 74 PHE HB3 2.650 . 3.500 2.402 2.331 2.510 . 0 0 "[ . 1 . 2 .]" 1
936 1 74 PHE HA 1 74 PHE QD 3.650 . 5.500 2.739 2.048 3.188 . 0 0 "[ . 1 . 2 .]" 1
937 1 74 PHE H 1 74 PHE HA 2.650 . 3.500 3.003 2.998 3.005 . 0 0 "[ . 1 . 2 .]" 1
938 1 74 PHE HA 1 75 CYS H 2.650 . 3.500 2.259 2.223 2.315 . 0 0 "[ . 1 . 2 .]" 1
939 1 62 VAL MG1 1 74 PHE HB3 3.650 . 5.500 1.838 1.708 2.270 0.092 2 0 "[ . 1 . 2 .]" 1
940 1 62 VAL MG2 1 74 PHE HB3 3.650 . 5.500 2.668 1.912 3.377 . 0 0 "[ . 1 . 2 .]" 1
941 1 74 PHE HB3 1 74 PHE QD 2.900 . 4.000 2.505 2.305 2.763 . 0 0 "[ . 1 . 2 .]" 1
942 1 74 PHE HB3 1 75 CYS H 2.650 . 3.500 3.276 3.076 3.473 . 0 0 "[ . 1 . 2 .]" 1
943 1 53 ARG H 1 74 PHE HB2 3.400 . 5.000 4.146 3.863 4.422 . 0 0 "[ . 1 . 2 .]" 1
944 1 62 VAL MG1 1 74 PHE HB2 3.650 . 5.500 2.907 2.275 3.740 . 0 0 "[ . 1 . 2 .]" 1
945 1 62 VAL MG2 1 74 PHE HB2 3.650 . 5.500 2.621 2.289 3.159 . 0 0 "[ . 1 . 2 .]" 1
946 1 74 PHE HB2 1 74 PHE QD 2.900 . 4.000 2.410 2.278 2.564 . 0 0 "[ . 1 . 2 .]" 1
947 1 74 PHE H 1 74 PHE HB2 2.650 . 3.500 2.699 2.536 2.892 . 0 0 "[ . 1 . 2 .]" 1
948 1 74 PHE HB2 1 75 CYS H 3.400 . 5.000 3.978 3.679 4.290 . 0 0 "[ . 1 . 2 .]" 1
949 1 74 PHE H 1 74 PHE QD 3.650 . 5.500 2.618 1.942 3.490 . 0 0 "[ . 1 . 2 .]" 1
950 1 74 PHE QD 1 75 CYS H 3.650 . 5.500 4.418 3.865 4.721 . 0 0 "[ . 1 . 2 .]" 1
951 1 53 ARG H 1 74 PHE H 2.650 . 3.500 3.234 3.020 3.366 . 0 0 "[ . 1 . 2 .]" 1
952 1 52 CYS HA 1 75 CYS HA 3.400 . 5.000 2.045 1.827 2.223 . 0 0 "[ . 1 . 2 .]" 1
953 1 75 CYS HA 1 75 CYS HB2 2.650 . 3.500 2.468 2.384 2.814 . 0 0 "[ . 1 . 2 .]" 1
954 1 75 CYS HA 1 76 CYS H 2.650 . 3.500 2.291 2.250 2.344 . 0 0 "[ . 1 . 2 .]" 1
955 1 63 ASP H 1 75 CYS HB3 3.400 . 5.000 4.401 3.999 4.589 . 0 0 "[ . 1 . 2 .]" 1
956 1 66 TYR HB2 1 75 CYS HB3 3.400 . 5.000 2.739 2.206 2.991 . 0 0 "[ . 1 . 2 .]" 1
957 1 75 CYS H 1 75 CYS HB3 2.650 . 3.500 2.364 2.184 3.079 . 0 0 "[ . 1 . 2 .]" 1
958 1 75 CYS HB3 1 76 CYS H 3.400 . 5.000 4.482 4.161 4.567 . 0 0 "[ . 1 . 2 .]" 1
959 1 43 HIS HE1 1 75 CYS HB2 3.400 . 5.000 4.976 4.754 5.034 0.034 9 0 "[ . 1 . 2 .]" 1
960 1 66 TYR HB2 1 75 CYS HB2 3.400 . 5.000 3.629 3.092 3.949 . 0 0 "[ . 1 . 2 .]" 1
961 1 75 CYS H 1 75 CYS HB2 2.650 . 3.500 2.638 2.035 2.798 . 0 0 "[ . 1 . 2 .]" 1
962 1 62 VAL HA 1 76 CYS HA 3.400 . 5.000 2.068 1.837 2.629 . 0 0 "[ . 1 . 2 .]" 1
963 1 62 VAL MG2 1 76 CYS HA 4.150 . 6.500 3.472 2.702 4.267 . 0 0 "[ . 1 . 2 .]" 1
964 1 63 ASP H 1 76 CYS HA 3.400 . 5.000 2.465 1.797 3.073 0.003 13 0 "[ . 1 . 2 .]" 1
965 1 76 CYS H 1 76 CYS HA 2.650 . 3.500 2.924 2.911 2.981 . 0 0 "[ . 1 . 2 .]" 1
966 1 76 CYS HA 1 77 ARG H 2.300 . 2.800 2.415 2.331 2.520 . 0 0 "[ . 1 . 2 .]" 1
967 1 60 GLU HB3 1 76 CYS HB3 3.400 . 5.000 3.149 2.594 4.853 . 0 0 "[ . 1 . 2 .]" 1
968 1 60 GLU HB2 1 76 CYS HB3 3.400 . 5.000 4.215 3.951 5.077 0.077 2 0 "[ . 1 . 2 .]" 1
969 1 76 CYS HB3 1 77 ARG H 3.400 . 5.000 2.713 2.317 3.796 . 0 0 "[ . 1 . 2 .]" 1
970 1 56 CYS HB2 1 76 CYS HB2 3.400 . 5.000 4.741 2.074 5.102 0.102 14 0 "[ . 1 . 2 .]" 1
971 1 76 CYS H 1 76 CYS HB2 2.650 . 3.500 2.498 2.265 2.739 . 0 0 "[ . 1 . 2 .]" 1
972 1 76 CYS HB2 1 77 ARG H 2.650 . 3.500 3.585 3.531 3.733 0.233 2 0 "[ . 1 . 2 .]" 1
973 1 51 TRP H 1 76 CYS H 2.650 . 3.500 3.492 3.339 3.562 0.062 8 0 "[ . 1 . 2 .]" 1
974 1 50 GLY HA3 1 77 ARG HA 3.400 . 5.000 3.242 2.999 3.387 . 0 0 "[ . 1 . 2 .]" 1
975 1 77 ARG HA 1 77 ARG HB3 2.650 . 3.500 2.732 2.501 2.959 . 0 0 "[ . 1 . 2 .]" 1
976 1 77 ARG HA 1 77 ARG HD2 3.400 . 5.000 4.335 2.287 4.655 . 0 0 "[ . 1 . 2 .]" 1
977 1 77 ARG HA 1 77 ARG HG3 3.400 . 5.000 2.979 2.349 3.545 . 0 0 "[ . 1 . 2 .]" 1
978 1 77 ARG HA 1 77 ARG HG2 3.400 . 5.000 2.154 1.940 2.719 . 0 0 "[ . 1 . 2 .]" 1
979 1 77 ARG HA 1 78 SER H 2.300 . 2.800 2.586 2.457 2.704 . 0 0 "[ . 1 . 2 .]" 1
980 1 61 TYR QE 1 77 ARG HB3 3.650 . 5.500 2.110 1.856 2.907 . 0 0 "[ . 1 . 2 .]" 1
981 1 77 ARG HB3 1 77 ARG HE 2.650 . 3.500 2.187 1.882 3.540 0.040 8 0 "[ . 1 . 2 .]" 1
982 1 77 ARG H 1 77 ARG HB3 3.400 . 5.000 3.653 3.264 3.913 . 0 0 "[ . 1 . 2 .]" 1
983 1 77 ARG HB3 1 78 SER H 2.650 . 3.500 2.346 2.034 2.966 . 0 0 "[ . 1 . 2 .]" 1
984 1 61 TYR QE 1 77 ARG HB2 3.650 . 5.500 2.676 2.347 3.398 . 0 0 "[ . 1 . 2 .]" 1
985 1 61 TYR H 1 77 ARG HB2 3.400 . 5.000 4.372 3.960 5.024 0.024 8 0 "[ . 1 . 2 .]" 1
986 1 77 ARG HB2 1 77 ARG HE 2.650 . 3.500 3.485 3.376 3.530 0.030 8 0 "[ . 1 . 2 .]" 1
987 1 77 ARG H 1 77 ARG HB2 2.650 . 3.500 2.708 2.577 2.929 . 0 0 "[ . 1 . 2 .]" 1
988 1 77 ARG HB2 1 78 SER H 3.400 . 5.000 3.743 3.227 4.061 . 0 0 "[ . 1 . 2 .]" 1
989 1 46 ALA MB 1 77 ARG HD3 3.650 . 5.500 3.179 2.425 4.128 . 0 0 "[ . 1 . 2 .]" 1
990 1 61 TYR QE 1 77 ARG HD3 3.650 . 5.500 3.934 3.400 5.116 . 0 0 "[ . 1 . 2 .]" 1
991 1 77 ARG HB3 1 77 ARG HD3 2.650 . 3.500 2.804 2.536 3.545 0.045 24 0 "[ . 1 . 2 .]" 1
992 1 77 ARG HB2 1 77 ARG HD3 3.400 . 5.000 2.889 2.076 4.212 . 0 0 "[ . 1 . 2 .]" 1
993 1 46 ALA MB 1 77 ARG HD2 3.650 . 5.500 2.188 1.774 4.634 0.026 20 0 "[ . 1 . 2 .]" 1
994 1 61 TYR QE 1 77 ARG HD2 3.650 . 5.500 4.915 2.677 5.254 . 0 0 "[ . 1 . 2 .]" 1
995 1 77 ARG HB3 1 77 ARG HD2 3.400 . 5.000 3.450 1.930 3.954 . 0 0 "[ . 1 . 2 .]" 1
996 1 77 ARG HB2 1 77 ARG HD2 3.400 . 5.000 3.786 3.275 4.019 . 0 0 "[ . 1 . 2 .]" 1
997 1 77 ARG HD2 1 77 ARG HE 2.650 . 3.500 2.863 2.667 2.976 . 0 0 "[ . 1 . 2 .]" 1
998 1 77 ARG HD2 1 77 ARG HG2 2.650 . 3.500 2.532 2.412 2.829 . 0 0 "[ . 1 . 2 .]" 1
999 1 61 TYR QE 1 77 ARG HG3 4.150 . 6.500 4.444 3.828 4.997 . 0 0 "[ . 1 . 2 .]" 1
1000 1 77 ARG HE 1 77 ARG HG3 3.400 . 5.000 3.354 1.926 3.611 . 0 0 "[ . 1 . 2 .]" 1
1001 1 77 ARG H 1 77 ARG HG3 3.400 . 5.000 4.052 3.259 4.888 . 0 0 "[ . 1 . 2 .]" 1
1002 1 63 ASP HB3 1 77 ARG HG2 3.400 . 5.000 4.893 4.415 5.115 0.115 5 0 "[ . 1 . 2 .]" 1
1003 1 77 ARG HE 1 77 ARG HG2 2.650 . 3.500 2.517 2.103 3.596 0.096 24 0 "[ . 1 . 2 .]" 1
1004 1 77 ARG H 1 77 ARG HG2 3.400 . 5.000 4.364 3.868 4.739 . 0 0 "[ . 1 . 2 .]" 1
1005 1 61 TYR H 1 77 ARG H 2.650 . 3.500 2.487 2.342 2.665 . 0 0 "[ . 1 . 2 .]" 1
1006 1 60 GLU HA 1 78 SER HA 3.400 . 5.000 2.795 2.476 3.234 . 0 0 "[ . 1 . 2 .]" 1
1007 1 60 GLU HB3 1 78 SER HA 3.400 . 5.000 4.023 3.344 4.584 . 0 0 "[ . 1 . 2 .]" 1
1008 1 60 GLU HG3 1 78 SER HA 3.400 . 5.000 3.998 2.928 4.924 . 0 0 "[ . 1 . 2 .]" 1
1009 1 60 GLU HG2 1 78 SER HA 3.400 . 5.000 2.522 1.865 3.574 . 0 0 "[ . 1 . 2 .]" 1
1010 1 61 TYR QD 1 78 SER HA 3.650 . 5.500 3.432 3.250 3.521 . 0 0 "[ . 1 . 2 .]" 1
1011 1 61 TYR QE 1 78 SER HA 3.650 . 5.500 3.467 3.350 3.594 . 0 0 "[ . 1 . 2 .]" 1
1012 1 61 TYR H 1 78 SER HA 3.400 . 5.000 3.984 3.790 4.081 . 0 0 "[ . 1 . 2 .]" 1
1013 1 78 SER HA 1 79 ARG H 2.300 . 2.800 2.307 2.204 2.474 . 0 0 "[ . 1 . 2 .]" 1
1014 1 78 SER H 1 78 SER QB 2.800 . 3.800 2.508 2.170 3.063 . 0 0 "[ . 1 . 2 .]" 1
1015 1 78 SER QB 1 79 ARG H 3.550 . 5.300 3.842 3.502 4.067 . 0 0 "[ . 1 . 2 .]" 1
1016 1 61 TYR QD 1 79 ARG HA 3.650 . 5.500 4.397 3.541 4.719 . 0 0 "[ . 1 . 2 .]" 1
1017 1 61 TYR QE 1 79 ARG HA 3.650 . 5.500 3.260 2.805 3.737 . 0 0 "[ . 1 . 2 .]" 1
1018 1 79 ARG HA 1 79 ARG HB3 2.650 . 3.500 2.984 2.703 3.037 . 0 0 "[ . 1 . 2 .]" 1
1019 1 79 ARG HA 1 79 ARG HB2 2.650 . 3.500 2.636 2.404 2.977 . 0 0 "[ . 1 . 2 .]" 1
1020 1 79 ARG H 1 79 ARG HA 2.650 . 3.500 2.865 2.755 2.954 . 0 0 "[ . 1 . 2 .]" 1
1021 1 61 TYR QD 1 79 ARG HB3 3.650 . 5.500 4.065 3.155 4.995 . 0 0 "[ . 1 . 2 .]" 1
1022 1 61 TYR QD 1 79 ARG HB2 3.650 . 5.500 2.834 2.331 3.543 . 0 0 "[ . 1 . 2 .]" 1
1023 1 61 TYR QE 1 79 ARG HB2 3.650 . 5.500 3.251 2.565 3.996 . 0 0 "[ . 1 . 2 .]" 1
1024 1 79 ARG H 1 79 ARG HB2 2.300 . 2.800 2.220 1.971 2.520 . 0 0 "[ . 1 . 2 .]" 1
1025 1 79 ARG HB2 1 79 ARG HD2 2.650 . 3.500 2.717 1.945 3.498 . 0 0 "[ . 1 . 2 .]" 1
1026 1 61 TYR QD 1 79 ARG QG 3.800 . 5.800 4.286 2.955 4.767 . 0 0 "[ . 1 . 2 .]" 1
1027 1 61 TYR QE 1 79 ARG QG 4.300 . 6.800 4.058 2.750 4.835 . 0 0 "[ . 1 . 2 .]" 1
1028 1 79 ARG H 1 79 ARG QG 3.550 . 5.300 3.791 2.707 4.010 . 0 0 "[ . 1 . 2 .]" 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 62
_Distance_constraint_stats_list.Viol_count 316
_Distance_constraint_stats_list.Viol_total 270.482
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0342
_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 6 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 ALA 2.639 0.132 7 0 "[ . 1 . 2 .]"
1 13 VAL 0.644 0.051 17 0 "[ . 1 . 2 .]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 PRO 0.071 0.018 11 0 "[ . 1 . 2 .]"
1 16 SER 0.303 0.028 18 0 "[ . 1 . 2 .]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 TRP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 ALA 0.111 0.018 11 0 "[ . 1 . 2 .]"
1 20 TYR 0.586 0.042 3 0 "[ . 1 . 2 .]"
1 21 LEU 0.018 0.018 10 0 "[ . 1 . 2 .]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 ALA 0.041 0.011 2 0 "[ . 1 . 2 .]"
1 24 LEU 0.283 0.042 3 0 "[ . 1 . 2 .]"
1 25 VAL 0.018 0.018 10 0 "[ . 1 . 2 .]"
1 26 GLY 0.027 0.017 25 0 "[ . 1 . 2 .]"
1 27 ALA 0.035 0.009 13 0 "[ . 1 . 2 .]"
1 28 ALA 0.008 0.008 23 0 "[ . 1 . 2 .]"
1 29 ALA 0.180 0.017 9 0 "[ . 1 . 2 .]"
1 30 VAL 0.027 0.017 25 0 "[ . 1 . 2 .]"
1 31 THR 0.035 0.009 13 0 "[ . 1 . 2 .]"
1 32 ALA 0.008 0.008 23 0 "[ . 1 . 2 .]"
1 33 ALA 0.180 0.017 9 0 "[ . 1 . 2 .]"
1 34 ASN 2.639 0.132 7 0 "[ . 1 . 2 .]"
1 36 ARG 0.644 0.051 17 0 "[ . 1 . 2 .]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 HIS 0.321 0.029 15 0 "[ . 1 . 2 .]"
1 45 CYS 2.619 0.139 8 0 "[ . 1 . 2 .]"
1 50 GLY 2.619 0.139 8 0 "[ . 1 . 2 .]"
1 51 TRP 0.473 0.063 10 0 "[ . 1 . 2 .]"
1 52 CYS 0.321 0.029 15 0 "[ . 1 . 2 .]"
1 53 ARG 0.032 0.018 21 0 "[ . 1 . 2 .]"
1 61 TYR 1.033 0.094 5 0 "[ . 1 . 2 .]"
1 63 ASP 0.281 0.052 14 0 "[ . 1 . 2 .]"
1 66 TYR 1.455 0.087 9 0 "[ . 1 . 2 .]"
1 67 SER 0.365 0.040 10 0 "[ . 1 . 2 .]"
1 70 CYS 1.455 0.087 9 0 "[ . 1 . 2 .]"
1 71 GLY 0.359 0.040 10 0 "[ . 1 . 2 .]"
1 74 PHE 0.032 0.018 21 0 "[ . 1 . 2 .]"
1 75 CYS 0.274 0.052 14 0 "[ . 1 . 2 .]"
1 76 CYS 0.473 0.063 10 0 "[ . 1 . 2 .]"
1 77 ARG 1.033 0.094 5 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 ALA O 1 9 ILE N 2.800 2.300 3.300 2.858 2.792 2.935 . 0 0 "[ . 1 . 2 .]" 2
2 1 6 ALA O 1 9 ILE H 1.800 . 2.300 2.088 2.069 2.097 . 0 0 "[ . 1 . 2 .]" 2
3 1 10 GLY N 1 33 ALA O 2.800 2.300 3.300 2.991 2.935 3.132 . 0 0 "[ . 1 . 2 .]" 2
4 1 10 GLY H 1 33 ALA O 1.800 . 2.300 2.097 2.076 2.248 . 0 0 "[ . 1 . 2 .]" 2
5 1 11 ALA N 1 34 ASN O 2.800 2.300 3.300 3.148 3.045 3.225 . 0 0 "[ . 1 . 2 .]" 2
6 1 11 ALA H 1 34 ASN O 1.800 . 2.300 2.406 2.375 2.432 0.132 7 0 "[ . 1 . 2 .]" 2
7 1 11 ALA O 1 36 ARG N 2.800 2.300 3.300 3.050 2.891 3.133 . 0 0 "[ . 1 . 2 .]" 2
8 1 11 ALA O 1 36 ARG H 1.800 . 2.300 2.122 2.076 2.237 . 0 0 "[ . 1 . 2 .]" 2
9 1 13 VAL N 1 36 ARG O 2.800 2.300 3.300 2.804 2.696 2.882 . 0 0 "[ . 1 . 2 .]" 2
10 1 13 VAL H 1 36 ARG O 1.800 . 2.300 2.326 2.307 2.351 0.051 17 0 "[ . 1 . 2 .]" 2
11 1 13 VAL O 1 38 ALA N 2.800 2.300 3.300 2.719 2.517 2.912 . 0 0 "[ . 1 . 2 .]" 2
12 1 13 VAL O 1 38 ALA H 1.800 . 2.300 2.130 2.085 2.240 . 0 0 "[ . 1 . 2 .]" 2
13 1 14 GLY O 1 18 TRP N 2.800 2.300 3.300 3.078 2.986 3.177 . 0 0 "[ . 1 . 2 .]" 2
14 1 14 GLY O 1 18 TRP H 1.800 . 2.300 2.188 2.115 2.297 . 0 0 "[ . 1 . 2 .]" 2
15 1 15 PRO O 1 19 ALA N 2.800 2.300 3.300 3.194 3.055 3.296 . 0 0 "[ . 1 . 2 .]" 2
16 1 15 PRO O 1 19 ALA H 1.800 . 2.300 2.231 2.103 2.318 0.018 11 0 "[ . 1 . 2 .]" 2
17 1 16 SER O 1 20 TYR N 2.800 2.300 3.300 3.221 3.163 3.258 . 0 0 "[ . 1 . 2 .]" 2
18 1 16 SER O 1 20 TYR H 1.800 . 2.300 2.310 2.285 2.328 0.028 18 0 "[ . 1 . 2 .]" 2
19 1 17 VAL O 1 21 LEU N 2.800 2.300 3.300 3.035 2.972 3.137 . 0 0 "[ . 1 . 2 .]" 2
20 1 17 VAL O 1 21 LEU H 1.800 . 2.300 2.103 2.072 2.197 . 0 0 "[ . 1 . 2 .]" 2
21 1 18 TRP O 1 22 VAL N 2.800 2.300 3.300 3.056 2.943 3.154 . 0 0 "[ . 1 . 2 .]" 2
22 1 18 TRP O 1 22 VAL H 1.800 . 2.300 2.115 2.080 2.206 . 0 0 "[ . 1 . 2 .]" 2
23 1 19 ALA O 1 23 ALA N 2.800 2.300 3.300 3.190 2.988 3.271 . 0 0 "[ . 1 . 2 .]" 2
24 1 19 ALA O 1 23 ALA H 1.800 . 2.300 2.245 2.093 2.311 0.011 2 0 "[ . 1 . 2 .]" 2
25 1 20 TYR O 1 24 LEU N 2.800 2.300 3.300 3.218 3.129 3.261 . 0 0 "[ . 1 . 2 .]" 2
26 1 20 TYR O 1 24 LEU H 1.800 . 2.300 2.293 2.187 2.342 0.042 3 0 "[ . 1 . 2 .]" 2
27 1 21 LEU O 1 25 VAL N 2.800 2.300 3.300 3.092 2.943 3.214 . 0 0 "[ . 1 . 2 .]" 2
28 1 21 LEU O 1 25 VAL H 1.800 . 2.300 2.171 2.088 2.318 0.018 10 0 "[ . 1 . 2 .]" 2
29 1 26 GLY O 1 30 VAL N 2.800 2.300 3.300 3.000 2.901 3.132 . 0 0 "[ . 1 . 2 .]" 2
30 1 26 GLY O 1 30 VAL H 1.800 . 2.300 2.153 2.072 2.317 0.017 25 0 "[ . 1 . 2 .]" 2
31 1 27 ALA O 1 31 THR N 2.800 2.300 3.300 3.019 2.812 3.242 . 0 0 "[ . 1 . 2 .]" 2
32 1 27 ALA O 1 31 THR H 1.800 . 2.300 2.226 2.098 2.309 0.009 13 0 "[ . 1 . 2 .]" 2
33 1 28 ALA O 1 32 ALA N 2.800 2.300 3.300 3.017 2.867 3.178 . 0 0 "[ . 1 . 2 .]" 2
34 1 28 ALA O 1 32 ALA H 1.800 . 2.300 2.137 2.093 2.308 0.008 23 0 "[ . 1 . 2 .]" 2
35 1 29 ALA O 1 33 ALA N 2.800 2.300 3.300 3.057 2.959 3.144 . 0 0 "[ . 1 . 2 .]" 2
36 1 29 ALA O 1 33 ALA H 1.800 . 2.300 2.296 2.182 2.317 0.017 9 0 "[ . 1 . 2 .]" 2
37 1 45 CYS N 1 50 GLY O 2.800 2.300 3.300 3.067 2.873 3.187 . 0 0 "[ . 1 . 2 .]" 2
38 1 45 CYS H 1 50 GLY O 1.800 . 2.300 2.220 2.097 2.315 0.015 16 0 "[ . 1 . 2 .]" 2
39 1 45 CYS O 1 50 GLY N 2.800 2.300 3.300 3.227 3.138 3.335 0.035 7 0 "[ . 1 . 2 .]" 2
40 1 45 CYS O 1 50 GLY H 1.800 . 2.300 2.402 2.372 2.439 0.139 8 0 "[ . 1 . 2 .]" 2
41 1 43 HIS O 1 52 CYS N 2.800 2.300 3.300 2.859 2.751 2.966 . 0 0 "[ . 1 . 2 .]" 2
42 1 43 HIS O 1 52 CYS H 1.800 . 2.300 2.295 2.094 2.329 0.029 15 0 "[ . 1 . 2 .]" 2
43 1 51 TRP N 1 76 CYS O 2.800 2.300 3.300 3.153 3.043 3.254 . 0 0 "[ . 1 . 2 .]" 2
44 1 51 TRP H 1 76 CYS O 1.800 . 2.300 2.305 2.163 2.363 0.063 10 0 "[ . 1 . 2 .]" 2
45 1 51 TRP O 1 76 CYS N 2.800 2.300 3.300 2.749 2.658 2.874 . 0 0 "[ . 1 . 2 .]" 2
46 1 51 TRP O 1 76 CYS H 1.800 . 2.300 2.086 2.055 2.127 . 0 0 "[ . 1 . 2 .]" 2
47 1 53 ARG N 1 74 PHE O 2.800 2.300 3.300 3.047 2.865 3.162 . 0 0 "[ . 1 . 2 .]" 2
48 1 53 ARG H 1 74 PHE O 1.800 . 2.300 2.152 2.068 2.288 . 0 0 "[ . 1 . 2 .]" 2
49 1 53 ARG O 1 74 PHE N 2.800 2.300 3.300 3.142 3.023 3.275 . 0 0 "[ . 1 . 2 .]" 2
50 1 53 ARG O 1 74 PHE H 1.800 . 2.300 2.184 2.073 2.318 0.018 21 0 "[ . 1 . 2 .]" 2
51 1 61 TYR N 1 77 ARG O 2.800 2.300 3.300 3.192 2.995 3.315 0.015 4 0 "[ . 1 . 2 .]" 2
52 1 61 TYR H 1 77 ARG O 1.800 . 2.300 2.281 2.099 2.362 0.062 4 0 "[ . 1 . 2 .]" 2
53 1 61 TYR O 1 77 ARG N 2.800 2.300 3.300 3.157 3.118 3.228 . 0 0 "[ . 1 . 2 .]" 2
54 1 61 TYR O 1 77 ARG H 1.800 . 2.300 2.323 2.292 2.394 0.094 5 0 "[ . 1 . 2 .]" 2
55 1 63 ASP N 1 75 CYS O 2.800 2.300 3.300 2.749 2.494 3.052 . 0 0 "[ . 1 . 2 .]" 2
56 1 63 ASP H 1 75 CYS O 1.800 . 2.300 2.187 2.054 2.352 0.052 14 0 "[ . 1 . 2 .]" 2
57 1 63 ASP O 1 67 SER N 2.800 2.300 3.300 2.891 2.752 3.100 . 0 0 "[ . 1 . 2 .]" 2
58 1 63 ASP O 1 67 SER H 1.800 . 2.300 2.139 2.077 2.306 0.006 9 0 "[ . 1 . 2 .]" 2
59 1 66 TYR O 1 70 CYS N 2.800 2.300 3.300 3.290 3.246 3.324 0.024 9 0 "[ . 1 . 2 .]" 2
60 1 66 TYR O 1 70 CYS H 1.800 . 2.300 2.355 2.325 2.387 0.087 9 0 "[ . 1 . 2 .]" 2
61 1 67 SER O 1 71 GLY N 2.800 2.300 3.300 3.270 3.094 3.312 0.012 10 0 "[ . 1 . 2 .]" 2
62 1 67 SER O 1 71 GLY H 1.800 . 2.300 2.308 2.206 2.340 0.040 10 0 "[ . 1 . 2 .]" 2
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