NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
500990 |
2l8y   |
17431 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8y
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 1187
_Distance_constraint_stats_list.Viol_count 1550
_Distance_constraint_stats_list.Viol_total 1514.225
_Distance_constraint_stats_list.Viol_max 0.278
_Distance_constraint_stats_list.Viol_rms 0.0114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0391
_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 18 THR 0.272 0.105 15 0 "[ . 1 . 2 .]"
1 19 PRO 1.708 0.152 10 0 "[ . 1 . 2 .]"
1 20 VAL 2.025 0.093 3 0 "[ . 1 . 2 .]"
1 21 ARG 2.085 0.192 4 0 "[ . 1 . 2 .]"
1 22 ILE 0.460 0.075 24 0 "[ . 1 . 2 .]"
1 23 TYR 0.016 0.016 24 0 "[ . 1 . 2 .]"
1 24 THR 0.868 0.074 16 0 "[ . 1 . 2 .]"
1 25 ASN 0.711 0.070 9 0 "[ . 1 . 2 .]"
1 26 ALA 0.123 0.024 13 0 "[ . 1 . 2 .]"
1 27 GLU 1.294 0.132 2 0 "[ . 1 . 2 .]"
1 28 GLU 1.690 0.132 2 0 "[ . 1 . 2 .]"
1 29 LEU 1.109 0.084 18 0 "[ . 1 . 2 .]"
1 30 VAL 0.216 0.062 25 0 "[ . 1 . 2 .]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 LYS 3.765 0.121 1 0 "[ . 1 . 2 .]"
1 33 PRO 0.207 0.047 10 0 "[ . 1 . 2 .]"
1 34 PHE 3.317 0.207 3 0 "[ . 1 . 2 .]"
1 35 ARG 2.494 0.156 2 0 "[ . 1 . 2 .]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 LEU 3.009 0.154 17 0 "[ . 1 . 2 .]"
1 38 GLY 2.134 0.136 23 0 "[ . 1 . 2 .]"
1 39 GLU 1.479 0.132 10 0 "[ . 1 . 2 .]"
1 40 VAL 2.427 0.096 25 0 "[ . 1 . 2 .]"
1 41 SER 1.323 0.112 17 0 "[ . 1 . 2 .]"
1 42 GLY 0.983 0.069 8 0 "[ . 1 . 2 .]"
1 43 ASP 1.559 0.112 22 0 "[ . 1 . 2 .]"
1 44 SER 1.139 0.083 7 0 "[ . 1 . 2 .]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 GLN 1.527 0.101 22 0 "[ . 1 . 2 .]"
1 47 ALA 0.221 0.063 24 0 "[ . 1 . 2 .]"
1 48 SER 0.704 0.056 22 0 "[ . 1 . 2 .]"
1 49 ASN 0.704 0.169 19 0 "[ . 1 . 2 .]"
1 50 GLN 0.214 0.042 1 0 "[ . 1 . 2 .]"
1 51 ASP 0.306 0.052 9 0 "[ . 1 . 2 .]"
1 52 SER 1.297 0.139 20 0 "[ . 1 . 2 .]"
1 53 PRO 1.297 0.139 20 0 "[ . 1 . 2 .]"
1 54 PRO 3.722 0.278 8 0 "[ . 1 . 2 .]"
1 55 SER 4.498 0.278 8 0 "[ . 1 . 2 .]"
1 56 ILE 0.113 0.042 9 0 "[ . 1 . 2 .]"
1 57 PRO 2.190 0.105 24 0 "[ . 1 . 2 .]"
1 58 THR 3.832 0.134 18 0 "[ . 1 . 2 .]"
1 59 ALA 2.388 0.112 22 0 "[ . 1 . 2 .]"
1 60 ARG 1.494 0.111 17 0 "[ . 1 . 2 .]"
1 61 LYS 2.634 0.209 16 0 "[ . 1 . 2 .]"
1 62 ARG 1.883 0.155 8 0 "[ . 1 . 2 .]"
1 63 MET 2.299 0.071 6 0 "[ . 1 . 2 .]"
1 64 GLN 2.878 0.209 16 0 "[ . 1 . 2 .]"
1 65 ILE 2.123 0.118 12 0 "[ . 1 . 2 .]"
1 66 ASN 2.394 0.106 10 0 "[ . 1 . 2 .]"
1 67 ALA 3.982 0.106 10 0 "[ . 1 . 2 .]"
1 68 SER 2.809 0.152 10 0 "[ . 1 . 2 .]"
1 69 LYS 0.728 0.102 25 0 "[ . 1 . 2 .]"
1 70 MET 1.794 0.084 1 0 "[ . 1 . 2 .]"
1 71 LYS 0.188 0.102 25 0 "[ . 1 . 2 .]"
1 72 ALA 1.065 0.084 1 0 "[ . 1 . 2 .]"
1 73 ASN 0.246 0.052 7 0 "[ . 1 . 2 .]"
1 74 ALA 1.679 0.093 9 0 "[ . 1 . 2 .]"
1 75 VAL 0.122 0.029 13 0 "[ . 1 . 2 .]"
1 76 LEU 1.400 0.057 5 0 "[ . 1 . 2 .]"
1 77 LEU 0.873 0.074 16 0 "[ . 1 . 2 .]"
1 78 HIS 1.335 0.110 18 0 "[ . 1 . 2 .]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 80 CYS 0.076 0.026 24 0 "[ . 1 . 2 .]"
1 81 GLU 0.731 0.113 23 0 "[ . 1 . 2 .]"
1 82 VAL 0.863 0.113 23 0 "[ . 1 . 2 .]"
1 83 THR 0.904 0.079 8 0 "[ . 1 . 2 .]"
1 84 SER 1.440 0.170 8 0 "[ . 1 . 2 .]"
1 85 GLY 0.355 0.080 12 0 "[ . 1 . 2 .]"
1 86 THR 0.518 0.058 12 0 "[ . 1 . 2 .]"
1 87 PRO 0.060 0.024 2 0 "[ . 1 . 2 .]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 89 CYS 1.739 0.199 24 0 "[ . 1 . 2 .]"
1 90 TYR 1.780 0.199 24 0 "[ . 1 . 2 .]"
1 91 ARG 3.116 0.170 8 0 "[ . 1 . 2 .]"
1 92 GLN 1.268 0.084 8 0 "[ . 1 . 2 .]"
1 93 ALA 0.929 0.079 8 0 "[ . 1 . 2 .]"
1 94 VAL 0.549 0.112 17 0 "[ . 1 . 2 .]"
1 95 CYS 0.244 0.065 10 0 "[ . 1 . 2 .]"
1 96 ILE 0.246 0.036 22 0 "[ . 1 . 2 .]"
1 97 GLY 0.936 0.110 18 0 "[ . 1 . 2 .]"
1 98 SER 0.513 0.050 8 0 "[ . 1 . 2 .]"
1 99 ALA 0.954 0.072 11 0 "[ . 1 . 2 .]"
1 100 LEU 1.036 0.127 17 0 "[ . 1 . 2 .]"
1 101 ASN 1.223 0.082 10 0 "[ . 1 . 2 .]"
1 102 ILE 1.894 0.207 3 0 "[ . 1 . 2 .]"
1 103 THR 1.486 0.156 2 0 "[ . 1 . 2 .]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 105 LYS 0.000 0.000 . 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 18 THR HA 1 19 PRO HD2 . . 3.250 2.248 1.943 2.810 . 0 0 "[ . 1 . 2 .]" 1
2 1 18 THR HA 1 19 PRO HD3 . . 3.130 2.251 1.796 2.815 . 0 0 "[ . 1 . 2 .]" 1
3 1 18 THR HB 1 19 PRO HD2 . . 4.700 4.088 3.365 4.805 0.105 15 0 "[ . 1 . 2 .]" 1
4 1 18 THR HB 1 19 PRO HD3 . . 5.000 4.709 4.020 5.077 0.077 7 0 "[ . 1 . 2 .]" 1
5 1 18 THR MG 1 19 PRO HA . . 5.600 4.917 4.348 5.346 . 0 0 "[ . 1 . 2 .]" 1
6 1 18 THR MG 1 19 PRO HD2 . . 4.780 2.485 1.937 3.468 . 0 0 "[ . 1 . 2 .]" 1
7 1 18 THR MG 1 19 PRO HD3 . . 5.080 3.505 2.809 4.409 . 0 0 "[ . 1 . 2 .]" 1
8 1 19 PRO HA 1 20 VAL H . . 3.540 3.520 3.360 3.581 0.041 6 0 "[ . 1 . 2 .]" 1
9 1 19 PRO HA 1 20 VAL MG1 . . 6.100 4.643 4.310 4.922 . 0 0 "[ . 1 . 2 .]" 1
10 1 19 PRO HB3 1 20 VAL H . . 4.520 3.982 3.432 4.457 . 0 0 "[ . 1 . 2 .]" 1
11 1 19 PRO HB3 1 20 VAL MG1 . . 5.190 4.412 3.625 5.084 . 0 0 "[ . 1 . 2 .]" 1
12 1 19 PRO HG2 1 20 VAL H . . 4.830 2.598 1.750 3.695 . 0 0 "[ . 1 . 2 .]" 1
13 1 19 PRO HG2 1 68 SER HB2 . . 4.860 4.859 4.216 5.012 0.152 10 0 "[ . 1 . 2 .]" 1
14 1 19 PRO HG2 1 68 SER HB3 . . 5.040 4.288 3.368 5.099 0.059 17 0 "[ . 1 . 2 .]" 1
15 1 20 VAL H 1 20 VAL HB . . 3.740 3.288 2.814 3.644 . 0 0 "[ . 1 . 2 .]" 1
16 1 20 VAL H 1 21 ARG H . . 5.080 4.359 4.172 4.521 . 0 0 "[ . 1 . 2 .]" 1
17 1 20 VAL HA 1 21 ARG H . . 3.070 2.151 2.091 2.211 . 0 0 "[ . 1 . 2 .]" 1
18 1 20 VAL HA 1 21 ARG HA . . 4.520 4.391 4.348 4.425 . 0 0 "[ . 1 . 2 .]" 1
19 1 20 VAL HA 1 74 ALA H . . 5.500 4.243 3.672 4.611 . 0 0 "[ . 1 . 2 .]" 1
20 1 20 VAL HA 1 74 ALA HA . . 4.350 3.949 3.558 4.278 . 0 0 "[ . 1 . 2 .]" 1
21 1 20 VAL HB 1 21 ARG H . . 4.580 3.968 3.779 4.104 . 0 0 "[ . 1 . 2 .]" 1
22 1 20 VAL HB 1 64 GLN HG2 . . 4.070 3.969 3.590 4.095 0.025 19 0 "[ . 1 . 2 .]" 1
23 1 20 VAL HB 1 64 GLN HG3 . . 5.050 5.091 4.996 5.143 0.093 3 0 "[ . 1 . 2 .]" 1
24 1 20 VAL HB 1 67 ALA MB . . 5.640 3.883 3.077 4.569 . 0 0 "[ . 1 . 2 .]" 1
25 1 20 VAL HB 1 68 SER H . . 5.360 4.446 3.846 5.186 . 0 0 "[ . 1 . 2 .]" 1
26 1 20 VAL HB 1 68 SER HB3 . . 5.540 3.457 2.465 4.858 . 0 0 "[ . 1 . 2 .]" 1
27 1 20 VAL HB 1 74 ALA H . . 4.480 4.466 4.069 4.531 0.051 1 0 "[ . 1 . 2 .]" 1
28 1 20 VAL MG1 1 21 ARG H . . 5.320 4.167 4.027 4.259 . 0 0 "[ . 1 . 2 .]" 1
29 1 20 VAL MG1 1 64 GLN HA . . 4.910 3.736 3.008 4.262 . 0 0 "[ . 1 . 2 .]" 1
30 1 20 VAL MG1 1 64 GLN HG2 . . 5.050 1.781 1.373 2.229 . 0 0 "[ . 1 . 2 .]" 1
31 1 20 VAL MG1 1 67 ALA MB . . 5.660 3.865 3.243 4.680 . 0 0 "[ . 1 . 2 .]" 1
32 1 20 VAL MG1 1 68 SER H . . 5.240 3.715 3.023 4.817 . 0 0 "[ . 1 . 2 .]" 1
33 1 20 VAL MG1 1 68 SER HA . . 4.970 3.848 3.079 4.769 . 0 0 "[ . 1 . 2 .]" 1
34 1 20 VAL MG1 1 68 SER HB2 . . 4.680 3.428 2.112 4.294 . 0 0 "[ . 1 . 2 .]" 1
35 1 20 VAL MG1 1 68 SER HB3 . . 5.000 2.583 1.591 3.963 . 0 0 "[ . 1 . 2 .]" 1
36 1 20 VAL MG1 1 75 VAL MG2 . . 5.800 3.936 3.625 4.232 . 0 0 "[ . 1 . 2 .]" 1
37 1 20 VAL MG2 1 21 ARG H . . 5.080 2.474 2.162 2.795 . 0 0 "[ . 1 . 2 .]" 1
38 1 20 VAL MG2 1 21 ARG HA . . 5.200 3.508 3.234 3.777 . 0 0 "[ . 1 . 2 .]" 1
39 1 20 VAL MG2 1 64 GLN HA . . 4.450 2.851 2.128 3.287 . 0 0 "[ . 1 . 2 .]" 1
40 1 20 VAL MG2 1 64 GLN HB2 . . 5.330 4.028 3.632 4.529 . 0 0 "[ . 1 . 2 .]" 1
41 1 20 VAL MG2 1 64 GLN HB3 . . 5.610 4.238 3.435 4.786 . 0 0 "[ . 1 . 2 .]" 1
42 1 20 VAL MG2 1 64 GLN HG2 . . 4.680 2.069 1.536 2.597 . 0 0 "[ . 1 . 2 .]" 1
43 1 20 VAL MG2 1 64 GLN HG3 . . 5.350 2.562 2.366 2.798 . 0 0 "[ . 1 . 2 .]" 1
44 1 20 VAL MG2 1 67 ALA MB . . 5.060 2.598 2.069 3.287 . 0 0 "[ . 1 . 2 .]" 1
45 1 20 VAL MG2 1 68 SER H . . 6.190 3.883 3.493 4.542 . 0 0 "[ . 1 . 2 .]" 1
46 1 20 VAL MG2 1 68 SER HB2 . . 5.650 5.029 3.879 5.683 0.033 10 0 "[ . 1 . 2 .]" 1
47 1 20 VAL MG2 1 68 SER HB3 . . 5.900 4.196 3.261 5.786 . 0 0 "[ . 1 . 2 .]" 1
48 1 20 VAL MG2 1 74 ALA H . . 5.340 3.313 2.972 3.784 . 0 0 "[ . 1 . 2 .]" 1
49 1 20 VAL MG2 1 74 ALA HA . . 5.100 3.000 2.582 3.434 . 0 0 "[ . 1 . 2 .]" 1
50 1 20 VAL MG2 1 75 VAL H . . 4.890 3.257 2.916 3.596 . 0 0 "[ . 1 . 2 .]" 1
51 1 21 ARG H 1 21 ARG HB2 . . 3.750 2.448 2.252 2.738 . 0 0 "[ . 1 . 2 .]" 1
52 1 21 ARG H 1 21 ARG HB3 . . 3.680 3.289 2.634 3.650 . 0 0 "[ . 1 . 2 .]" 1
53 1 21 ARG H 1 21 ARG HG2 . . 5.320 4.552 3.832 4.893 . 0 0 "[ . 1 . 2 .]" 1
54 1 21 ARG H 1 21 ARG HG3 . . 5.410 4.068 2.871 4.763 . 0 0 "[ . 1 . 2 .]" 1
55 1 21 ARG H 1 21 ARG HD2 . . 5.500 4.691 3.343 5.589 0.089 1 0 "[ . 1 . 2 .]" 1
56 1 21 ARG H 1 74 ALA H . . 5.080 4.257 3.937 4.516 . 0 0 "[ . 1 . 2 .]" 1
57 1 21 ARG H 1 74 ALA HA . . 3.620 2.510 2.231 2.750 . 0 0 "[ . 1 . 2 .]" 1
58 1 21 ARG H 1 74 ALA MB . . 5.300 3.647 3.477 3.897 . 0 0 "[ . 1 . 2 .]" 1
59 1 21 ARG H 1 75 VAL H . . 5.160 3.960 3.636 4.276 . 0 0 "[ . 1 . 2 .]" 1
60 1 21 ARG HA 1 21 ARG HG2 . . 4.140 2.881 2.094 3.715 . 0 0 "[ . 1 . 2 .]" 1
61 1 21 ARG HA 1 21 ARG HG3 . . 3.850 2.592 2.019 3.601 . 0 0 "[ . 1 . 2 .]" 1
62 1 21 ARG HA 1 21 ARG HD3 . . 4.400 3.963 1.876 4.592 0.192 4 0 "[ . 1 . 2 .]" 1
63 1 21 ARG HA 1 22 ILE H . . 2.990 2.269 2.164 2.458 . 0 0 "[ . 1 . 2 .]" 1
64 1 21 ARG HB2 1 21 ARG HD2 . . 3.900 2.960 2.009 3.755 . 0 0 "[ . 1 . 2 .]" 1
65 1 21 ARG HB2 1 22 ILE H . . 4.570 4.193 3.741 4.475 . 0 0 "[ . 1 . 2 .]" 1
66 1 21 ARG HB2 1 23 TYR QE . . 5.550 3.774 2.633 5.268 . 0 0 "[ . 1 . 2 .]" 1
67 1 21 ARG HB2 1 74 ALA HA . . 4.090 3.817 3.093 4.183 0.093 9 0 "[ . 1 . 2 .]" 1
68 1 21 ARG HB3 1 21 ARG HD2 . . 4.010 3.375 1.972 4.190 0.180 7 0 "[ . 1 . 2 .]" 1
69 1 21 ARG HB3 1 22 ILE H . . 4.620 3.182 2.456 3.920 . 0 0 "[ . 1 . 2 .]" 1
70 1 21 ARG HB3 1 74 ALA HA . . 4.280 3.962 3.049 4.328 0.048 18 0 "[ . 1 . 2 .]" 1
71 1 21 ARG HB3 1 74 ALA MB . . 5.020 4.071 2.987 4.782 . 0 0 "[ . 1 . 2 .]" 1
72 1 21 ARG HG2 1 22 ILE H . . 4.470 3.648 2.263 4.533 0.063 22 0 "[ . 1 . 2 .]" 1
73 1 21 ARG HG3 1 22 ILE H . . 4.570 3.810 2.292 4.645 0.075 24 0 "[ . 1 . 2 .]" 1
74 1 21 ARG HD2 1 74 ALA MB . . 6.900 5.824 4.452 6.945 0.045 6 0 "[ . 1 . 2 .]" 1
75 1 22 ILE H 1 22 ILE HB . . 3.510 2.571 2.314 2.753 . 0 0 "[ . 1 . 2 .]" 1
76 1 22 ILE H 1 22 ILE HG12 . . 4.880 3.887 3.105 4.778 . 0 0 "[ . 1 . 2 .]" 1
77 1 22 ILE H 1 22 ILE HG13 . . 4.080 2.607 2.043 4.094 0.014 1 0 "[ . 1 . 2 .]" 1
78 1 22 ILE H 1 22 ILE MD . . 5.170 3.434 2.749 3.845 . 0 0 "[ . 1 . 2 .]" 1
79 1 22 ILE H 1 23 TYR H . . 5.500 4.412 4.100 4.548 . 0 0 "[ . 1 . 2 .]" 1
80 1 22 ILE HA 1 22 ILE HG13 . . 3.560 2.768 1.897 3.317 . 0 0 "[ . 1 . 2 .]" 1
81 1 22 ILE HA 1 22 ILE MD . . 4.500 3.828 3.320 3.964 . 0 0 "[ . 1 . 2 .]" 1
82 1 22 ILE HA 1 23 TYR H . . 3.140 2.149 2.111 2.237 . 0 0 "[ . 1 . 2 .]" 1
83 1 22 ILE HA 1 75 VAL H . . 3.830 2.684 2.424 2.865 . 0 0 "[ . 1 . 2 .]" 1
84 1 22 ILE HA 1 75 VAL HB . . 4.280 3.309 2.491 3.836 . 0 0 "[ . 1 . 2 .]" 1
85 1 22 ILE HA 1 75 VAL MG1 . . 5.250 4.586 3.705 4.893 . 0 0 "[ . 1 . 2 .]" 1
86 1 22 ILE HA 1 75 VAL MG2 . . 5.600 2.511 1.807 3.899 . 0 0 "[ . 1 . 2 .]" 1
87 1 22 ILE MG 1 23 TYR H . . 4.730 2.629 2.256 3.450 . 0 0 "[ . 1 . 2 .]" 1
88 1 22 ILE MG 1 23 TYR HA . . 5.410 3.799 3.360 4.431 . 0 0 "[ . 1 . 2 .]" 1
89 1 22 ILE MG 1 60 ARG HD2 . . 5.070 3.876 2.458 5.077 0.007 3 0 "[ . 1 . 2 .]" 1
90 1 22 ILE MG 1 60 ARG HD3 . . 5.030 3.674 2.106 5.094 0.064 1 0 "[ . 1 . 2 .]" 1
91 1 22 ILE MG 1 77 LEU H . . 5.190 3.443 3.034 4.509 . 0 0 "[ . 1 . 2 .]" 1
92 1 22 ILE MG 1 77 LEU HA . . 5.830 4.399 3.799 5.831 0.001 1 0 "[ . 1 . 2 .]" 1
93 1 22 ILE MG 1 77 LEU HB2 . . 4.370 2.622 2.043 3.699 . 0 0 "[ . 1 . 2 .]" 1
94 1 22 ILE MG 1 77 LEU HB3 . . 4.780 3.691 3.037 4.145 . 0 0 "[ . 1 . 2 .]" 1
95 1 22 ILE MG 1 77 LEU MD1 . . 5.710 3.058 2.084 4.457 . 0 0 "[ . 1 . 2 .]" 1
96 1 22 ILE MG 1 77 LEU MD2 . . 5.320 3.160 2.155 4.305 . 0 0 "[ . 1 . 2 .]" 1
97 1 22 ILE HG12 1 63 MET ME . . 4.400 3.166 2.387 4.009 . 0 0 "[ . 1 . 2 .]" 1
98 1 22 ILE HG13 1 63 MET ME . . 5.600 4.388 2.933 5.455 . 0 0 "[ . 1 . 2 .]" 1
99 1 22 ILE MD 1 60 ARG HB2 . . 5.480 4.117 3.367 5.368 . 0 0 "[ . 1 . 2 .]" 1
100 1 22 ILE MD 1 60 ARG HB3 . . 5.480 2.740 1.842 3.920 . 0 0 "[ . 1 . 2 .]" 1
101 1 22 ILE MD 1 60 ARG HG2 . . 4.870 3.862 2.478 4.892 0.022 19 0 "[ . 1 . 2 .]" 1
102 1 22 ILE MD 1 60 ARG HG3 . . 6.100 4.771 3.837 5.950 . 0 0 "[ . 1 . 2 .]" 1
103 1 22 ILE MD 1 60 ARG HD2 . . 5.150 3.623 1.812 5.186 0.036 21 0 "[ . 1 . 2 .]" 1
104 1 22 ILE MD 1 61 LYS HA . . 5.730 4.112 3.246 4.988 . 0 0 "[ . 1 . 2 .]" 1
105 1 22 ILE MD 1 63 MET ME . . 5.150 3.473 2.362 4.379 . 0 0 "[ . 1 . 2 .]" 1
106 1 22 ILE MD 1 64 GLN HA . . 5.540 4.683 3.925 5.526 . 0 0 "[ . 1 . 2 .]" 1
107 1 22 ILE MD 1 64 GLN HB2 . . 5.730 3.208 2.215 4.387 . 0 0 "[ . 1 . 2 .]" 1
108 1 22 ILE MD 1 64 GLN HB3 . . 5.480 4.408 3.565 5.331 . 0 0 "[ . 1 . 2 .]" 1
109 1 22 ILE MD 1 64 GLN HG2 . . 6.020 4.483 3.585 5.133 . 0 0 "[ . 1 . 2 .]" 1
110 1 22 ILE MD 1 64 GLN HG3 . . 4.970 3.159 2.205 3.807 . 0 0 "[ . 1 . 2 .]" 1
111 1 23 TYR H 1 23 TYR HB2 . . 4.100 2.440 2.196 2.695 . 0 0 "[ . 1 . 2 .]" 1
112 1 23 TYR H 1 75 VAL HB . . 4.850 3.893 3.516 4.261 . 0 0 "[ . 1 . 2 .]" 1
113 1 23 TYR H 1 76 LEU HA . . 4.460 3.352 3.111 3.625 . 0 0 "[ . 1 . 2 .]" 1
114 1 23 TYR H 1 77 LEU H . . 4.950 3.344 2.930 3.881 . 0 0 "[ . 1 . 2 .]" 1
115 1 23 TYR HA 1 76 LEU MD1 . . 6.100 4.642 4.297 4.999 . 0 0 "[ . 1 . 2 .]" 1
116 1 23 TYR HB2 1 24 THR H . . 5.320 4.331 3.752 4.552 . 0 0 "[ . 1 . 2 .]" 1
117 1 23 TYR HB2 1 29 LEU MD2 . . 5.500 2.825 2.362 3.300 . 0 0 "[ . 1 . 2 .]" 1
118 1 23 TYR HB2 1 76 LEU HA . . 4.080 2.995 2.407 3.619 . 0 0 "[ . 1 . 2 .]" 1
119 1 23 TYR HB2 1 76 LEU MD1 . . 4.900 3.327 2.671 3.919 . 0 0 "[ . 1 . 2 .]" 1
120 1 23 TYR HB2 1 77 LEU H . . 4.980 4.258 3.751 4.750 . 0 0 "[ . 1 . 2 .]" 1
121 1 23 TYR HB3 1 24 THR H . . 4.610 3.350 2.553 3.795 . 0 0 "[ . 1 . 2 .]" 1
122 1 23 TYR HB3 1 29 LEU MD2 . . 5.830 2.665 2.147 3.159 . 0 0 "[ . 1 . 2 .]" 1
123 1 23 TYR HB3 1 76 LEU HA . . 4.370 3.522 2.646 4.326 . 0 0 "[ . 1 . 2 .]" 1
124 1 23 TYR HB3 1 76 LEU MD1 . . 4.900 2.920 2.083 3.618 . 0 0 "[ . 1 . 2 .]" 1
125 1 23 TYR QD 1 28 GLU HB3 . . 5.600 4.114 3.127 5.314 . 0 0 "[ . 1 . 2 .]" 1
126 1 23 TYR QD 1 29 LEU MD1 . . 7.510 3.720 2.568 4.518 . 0 0 "[ . 1 . 2 .]" 1
127 1 23 TYR QD 1 29 LEU MD2 . . 6.910 2.902 2.289 3.887 . 0 0 "[ . 1 . 2 .]" 1
128 1 23 TYR QD 1 74 ALA MB . . 6.450 2.413 1.655 3.260 . 0 0 "[ . 1 . 2 .]" 1
129 1 23 TYR QD 1 75 VAL H . . 7.330 3.987 3.018 4.981 . 0 0 "[ . 1 . 2 .]" 1
130 1 23 TYR QE 1 28 GLU HB3 . . 6.910 3.790 1.696 5.732 . 0 0 "[ . 1 . 2 .]" 1
131 1 23 TYR QE 1 29 LEU MD1 . . 6.850 4.213 3.472 5.300 . 0 0 "[ . 1 . 2 .]" 1
132 1 23 TYR QE 1 74 ALA HA . . 6.140 4.527 3.468 6.156 0.016 24 0 "[ . 1 . 2 .]" 1
133 1 23 TYR QE 1 74 ALA MB . . 6.160 2.957 2.083 4.601 . 0 0 "[ . 1 . 2 .]" 1
134 1 23 TYR QE 1 75 VAL H . . 7.700 5.593 4.613 6.839 . 0 0 "[ . 1 . 2 .]" 1
135 1 23 TYR QE 1 102 ILE MD . . 6.230 2.971 1.760 5.000 . 0 0 "[ . 1 . 2 .]" 1
136 1 24 THR H 1 25 ASN H . . 3.700 2.388 1.914 3.027 . 0 0 "[ . 1 . 2 .]" 1
137 1 24 THR HA 1 77 LEU H . . 4.070 3.167 2.891 3.375 . 0 0 "[ . 1 . 2 .]" 1
138 1 24 THR HA 1 77 LEU HB2 . . 4.480 3.950 3.246 4.410 . 0 0 "[ . 1 . 2 .]" 1
139 1 24 THR HA 1 77 LEU HB3 . . 3.670 2.878 2.324 3.177 . 0 0 "[ . 1 . 2 .]" 1
140 1 24 THR HB 1 25 ASN H . . 5.250 4.049 3.754 4.346 . 0 0 "[ . 1 . 2 .]" 1
141 1 24 THR HB 1 77 LEU HB3 . . 4.580 4.483 3.134 4.654 0.074 16 0 "[ . 1 . 2 .]" 1
142 1 24 THR MG 1 25 ASN H . . 6.170 4.291 3.194 4.465 . 0 0 "[ . 1 . 2 .]" 1
143 1 24 THR MG 1 77 LEU HB3 . . 4.890 2.170 1.647 4.638 . 0 0 "[ . 1 . 2 .]" 1
144 1 24 THR MG 1 77 LEU MD2 . . 5.380 2.386 1.806 4.300 . 0 0 "[ . 1 . 2 .]" 1
145 1 25 ASN H 1 26 ALA H . . 5.500 4.015 3.724 4.246 . 0 0 "[ . 1 . 2 .]" 1
146 1 25 ASN H 1 28 GLU HB2 . . 5.100 4.256 3.894 4.921 . 0 0 "[ . 1 . 2 .]" 1
147 1 25 ASN H 1 76 LEU MD1 . . 6.020 3.079 2.444 3.626 . 0 0 "[ . 1 . 2 .]" 1
148 1 25 ASN HA 1 27 GLU H . . 4.930 3.505 3.319 3.890 . 0 0 "[ . 1 . 2 .]" 1
149 1 25 ASN HA 1 76 LEU MD1 . . 5.040 3.986 3.612 4.326 . 0 0 "[ . 1 . 2 .]" 1
150 1 25 ASN HB2 1 26 ALA H . . 5.260 4.565 4.352 4.675 . 0 0 "[ . 1 . 2 .]" 1
151 1 25 ASN HB2 1 28 GLU H . . 4.690 4.388 3.709 4.689 . 0 0 "[ . 1 . 2 .]" 1
152 1 25 ASN HB2 1 28 GLU HB2 . . 4.770 4.126 2.729 4.812 0.042 17 0 "[ . 1 . 2 .]" 1
153 1 25 ASN HB2 1 28 GLU HG2 . . 4.720 4.703 4.330 4.790 0.070 9 0 "[ . 1 . 2 .]" 1
154 1 25 ASN HB2 1 28 GLU HG3 . . 4.450 3.270 2.890 3.776 . 0 0 "[ . 1 . 2 .]" 1
155 1 25 ASN HB3 1 26 ALA H . . 5.380 4.186 3.853 4.379 . 0 0 "[ . 1 . 2 .]" 1
156 1 25 ASN HB3 1 27 GLU H . . 4.760 4.034 3.378 4.379 . 0 0 "[ . 1 . 2 .]" 1
157 1 25 ASN HB3 1 28 GLU H . . 4.390 2.818 2.230 3.212 . 0 0 "[ . 1 . 2 .]" 1
158 1 25 ASN HB3 1 28 GLU HG2 . . 4.390 3.476 2.893 3.871 . 0 0 "[ . 1 . 2 .]" 1
159 1 25 ASN HB3 1 28 GLU HG3 . . 4.300 2.086 1.541 3.005 . 0 0 "[ . 1 . 2 .]" 1
160 1 26 ALA H 1 27 GLU H . . 4.210 2.555 2.430 2.703 . 0 0 "[ . 1 . 2 .]" 1
161 1 26 ALA H 1 28 GLU H . . 5.500 4.194 4.038 4.299 . 0 0 "[ . 1 . 2 .]" 1
162 1 26 ALA H 1 76 LEU MD1 . . 6.140 3.188 2.790 3.811 . 0 0 "[ . 1 . 2 .]" 1
163 1 26 ALA H 1 76 LEU MD2 . . 6.560 4.432 3.822 5.206 . 0 0 "[ . 1 . 2 .]" 1
164 1 26 ALA HA 1 28 GLU H . . 4.560 3.920 3.740 4.186 . 0 0 "[ . 1 . 2 .]" 1
165 1 26 ALA HA 1 29 LEU H . . 4.490 3.237 2.932 3.491 . 0 0 "[ . 1 . 2 .]" 1
166 1 26 ALA HA 1 29 LEU HG . . 4.480 4.320 3.510 4.504 0.024 13 0 "[ . 1 . 2 .]" 1
167 1 26 ALA HA 1 29 LEU MD1 . . 5.860 5.093 4.629 5.399 . 0 0 "[ . 1 . 2 .]" 1
168 1 26 ALA HA 1 29 LEU MD2 . . 4.870 2.822 2.042 3.426 . 0 0 "[ . 1 . 2 .]" 1
169 1 26 ALA HA 1 76 LEU MD1 . . 4.650 2.288 1.920 2.644 . 0 0 "[ . 1 . 2 .]" 1
170 1 26 ALA HA 1 76 LEU MD2 . . 4.880 2.658 1.983 3.394 . 0 0 "[ . 1 . 2 .]" 1
171 1 26 ALA MB 1 27 GLU HA . . 5.380 3.837 3.733 3.965 . 0 0 "[ . 1 . 2 .]" 1
172 1 26 ALA MB 1 27 GLU HB2 . . 5.610 4.356 4.072 4.726 . 0 0 "[ . 1 . 2 .]" 1
173 1 26 ALA MB 1 30 VAL MG1 . . 7.000 4.135 2.852 5.483 . 0 0 "[ . 1 . 2 .]" 1
174 1 26 ALA MB 1 76 LEU MD1 . . 5.930 2.810 2.459 3.284 . 0 0 "[ . 1 . 2 .]" 1
175 1 26 ALA MB 1 76 LEU MD2 . . 5.610 2.504 2.004 3.385 . 0 0 "[ . 1 . 2 .]" 1
176 1 27 GLU H 1 27 GLU HB2 . . 3.440 2.208 2.051 2.537 . 0 0 "[ . 1 . 2 .]" 1
177 1 27 GLU H 1 27 GLU QG . . 4.900 3.754 2.904 4.027 . 0 0 "[ . 1 . 2 .]" 1
178 1 27 GLU H 1 28 GLU H . . 3.840 2.696 2.584 2.848 . 0 0 "[ . 1 . 2 .]" 1
179 1 27 GLU H 1 29 LEU H . . 5.300 4.292 4.036 4.452 . 0 0 "[ . 1 . 2 .]" 1
180 1 27 GLU H 1 30 VAL H . . 5.500 4.981 4.816 5.199 . 0 0 "[ . 1 . 2 .]" 1
181 1 27 GLU H 1 30 VAL MG2 . . 6.600 4.216 3.955 4.528 . 0 0 "[ . 1 . 2 .]" 1
182 1 27 GLU HA 1 29 LEU H . . 4.570 4.452 4.183 4.621 0.051 2 0 "[ . 1 . 2 .]" 1
183 1 27 GLU HA 1 30 VAL H . . 4.150 3.704 3.241 4.011 . 0 0 "[ . 1 . 2 .]" 1
184 1 27 GLU HA 1 30 VAL HB . . 4.900 4.271 2.598 4.962 0.062 25 0 "[ . 1 . 2 .]" 1
185 1 27 GLU HA 1 30 VAL MG1 . . 5.540 4.175 3.448 5.356 . 0 0 "[ . 1 . 2 .]" 1
186 1 27 GLU HA 1 30 VAL MG2 . . 4.180 2.477 1.867 3.395 . 0 0 "[ . 1 . 2 .]" 1
187 1 27 GLU HB2 1 28 GLU H . . 4.180 3.528 2.810 3.990 . 0 0 "[ . 1 . 2 .]" 1
188 1 27 GLU HB3 1 28 GLU HG2 . . 4.580 4.143 3.566 4.614 0.034 7 0 "[ . 1 . 2 .]" 1
189 1 27 GLU HB3 1 28 GLU HG3 . . 4.750 4.547 3.728 4.882 0.132 2 0 "[ . 1 . 2 .]" 1
190 1 27 GLU HB3 1 30 VAL MG2 . . 5.880 4.783 4.028 5.755 . 0 0 "[ . 1 . 2 .]" 1
191 1 27 GLU QG 1 30 VAL H . . 6.280 5.334 4.851 6.049 . 0 0 "[ . 1 . 2 .]" 1
192 1 27 GLU QG 1 30 VAL MG1 . . 6.550 5.195 3.951 6.457 . 0 0 "[ . 1 . 2 .]" 1
193 1 27 GLU QG 1 30 VAL MG2 . . 6.300 3.717 2.842 4.981 . 0 0 "[ . 1 . 2 .]" 1
194 1 28 GLU H 1 28 GLU HB2 . . 3.470 2.292 2.034 2.702 . 0 0 "[ . 1 . 2 .]" 1
195 1 28 GLU H 1 28 GLU HG2 . . 4.010 3.214 2.732 3.702 . 0 0 "[ . 1 . 2 .]" 1
196 1 28 GLU H 1 28 GLU HG3 . . 3.670 3.009 2.180 3.711 0.041 18 0 "[ . 1 . 2 .]" 1
197 1 28 GLU H 1 29 LEU H . . 3.820 2.569 2.368 2.715 . 0 0 "[ . 1 . 2 .]" 1
198 1 28 GLU H 1 30 VAL H . . 5.020 4.219 4.018 4.378 . 0 0 "[ . 1 . 2 .]" 1
199 1 28 GLU HA 1 28 GLU HG2 . . 3.370 2.288 2.066 2.619 . 0 0 "[ . 1 . 2 .]" 1
200 1 28 GLU HA 1 28 GLU HG3 . . 3.770 3.412 3.027 3.641 . 0 0 "[ . 1 . 2 .]" 1
201 1 28 GLU HA 1 30 VAL H . . 4.810 4.655 4.294 4.819 0.009 11 0 "[ . 1 . 2 .]" 1
202 1 28 GLU HB2 1 29 LEU H . . 4.500 2.684 2.406 2.943 . 0 0 "[ . 1 . 2 .]" 1
203 1 28 GLU HB3 1 28 GLU HG2 . . 2.970 2.753 2.417 2.932 . 0 0 "[ . 1 . 2 .]" 1
204 1 29 LEU H 1 29 LEU HB2 . . 3.610 2.163 2.091 2.233 . 0 0 "[ . 1 . 2 .]" 1
205 1 29 LEU H 1 29 LEU HG . . 4.280 4.171 4.078 4.319 0.039 20 0 "[ . 1 . 2 .]" 1
206 1 29 LEU H 1 29 LEU MD1 . . 5.520 3.682 3.334 4.004 . 0 0 "[ . 1 . 2 .]" 1
207 1 29 LEU H 1 29 LEU MD2 . . 5.520 2.272 1.979 2.568 . 0 0 "[ . 1 . 2 .]" 1
208 1 29 LEU H 1 30 VAL H . . 3.550 2.694 2.569 2.792 . 0 0 "[ . 1 . 2 .]" 1
209 1 29 LEU H 1 30 VAL MG2 . . 5.440 3.875 3.545 4.179 . 0 0 "[ . 1 . 2 .]" 1
210 1 29 LEU H 1 31 GLY H . . 5.180 3.921 3.709 4.204 . 0 0 "[ . 1 . 2 .]" 1
211 1 29 LEU HA 1 29 LEU HG . . 3.770 3.603 3.525 3.647 . 0 0 "[ . 1 . 2 .]" 1
212 1 29 LEU HA 1 29 LEU MD1 . . 4.290 1.793 1.485 2.038 . 0 0 "[ . 1 . 2 .]" 1
213 1 29 LEU HA 1 32 LYS H . . 5.190 3.888 3.585 4.138 . 0 0 "[ . 1 . 2 .]" 1
214 1 29 LEU HA 1 32 LYS HB2 . . 4.970 4.932 4.756 5.054 0.084 18 0 "[ . 1 . 2 .]" 1
215 1 29 LEU HA 1 32 LYS HB3 . . 4.070 4.069 3.903 4.130 0.060 24 0 "[ . 1 . 2 .]" 1
216 1 29 LEU HA 1 32 LYS HG3 . . 4.010 3.130 2.847 3.401 . 0 0 "[ . 1 . 2 .]" 1
217 1 29 LEU HA 1 32 LYS HD2 . . 3.920 3.546 3.306 3.946 0.026 18 0 "[ . 1 . 2 .]" 1
218 1 29 LEU HB2 1 30 VAL H . . 4.410 2.754 2.616 2.921 . 0 0 "[ . 1 . 2 .]" 1
219 1 29 LEU HB3 1 34 PHE QE . . 6.530 3.743 3.289 4.375 . 0 0 "[ . 1 . 2 .]" 1
220 1 29 LEU MD1 1 30 VAL H . . 5.710 4.504 4.335 4.597 . 0 0 "[ . 1 . 2 .]" 1
221 1 29 LEU MD1 1 32 LYS HB2 . . 6.130 5.007 4.839 5.310 . 0 0 "[ . 1 . 2 .]" 1
222 1 29 LEU MD1 1 32 LYS HB3 . . 5.900 4.718 4.491 4.901 . 0 0 "[ . 1 . 2 .]" 1
223 1 29 LEU MD1 1 32 LYS HG2 . . 5.350 2.814 2.508 3.106 . 0 0 "[ . 1 . 2 .]" 1
224 1 29 LEU MD1 1 32 LYS HD2 . . 5.460 2.710 2.482 3.292 . 0 0 "[ . 1 . 2 .]" 1
225 1 29 LEU MD1 1 34 PHE HB3 . . 5.300 2.703 2.455 3.012 . 0 0 "[ . 1 . 2 .]" 1
226 1 29 LEU MD1 1 76 LEU HA . . 6.600 5.296 5.041 5.670 . 0 0 "[ . 1 . 2 .]" 1
227 1 29 LEU MD1 1 76 LEU MD1 . . 6.760 4.148 3.932 4.373 . 0 0 "[ . 1 . 2 .]" 1
228 1 29 LEU MD2 1 34 PHE QE . . 7.480 5.386 5.004 5.850 . 0 0 "[ . 1 . 2 .]" 1
229 1 29 LEU MD2 1 76 LEU HA . . 5.650 3.406 2.902 4.072 . 0 0 "[ . 1 . 2 .]" 1
230 1 29 LEU MD2 1 76 LEU HB2 . . 5.020 2.766 2.339 3.666 . 0 0 "[ . 1 . 2 .]" 1
231 1 29 LEU MD2 1 76 LEU HB3 . . 5.290 4.250 3.844 5.002 . 0 0 "[ . 1 . 2 .]" 1
232 1 29 LEU MD2 1 76 LEU MD1 . . 5.660 1.932 1.587 2.264 . 0 0 "[ . 1 . 2 .]" 1
233 1 29 LEU MD2 1 76 LEU MD2 . . 5.610 2.849 2.275 3.324 . 0 0 "[ . 1 . 2 .]" 1
234 1 30 VAL H 1 30 VAL HB . . 3.670 3.267 2.545 3.651 . 0 0 "[ . 1 . 2 .]" 1
235 1 30 VAL H 1 30 VAL MG2 . . 4.250 1.982 1.629 2.236 . 0 0 "[ . 1 . 2 .]" 1
236 1 30 VAL H 1 31 GLY H . . 4.920 2.647 2.579 2.785 . 0 0 "[ . 1 . 2 .]" 1
237 1 30 VAL HA 1 32 LYS H . . 4.510 3.784 3.444 4.220 . 0 0 "[ . 1 . 2 .]" 1
238 1 30 VAL HB 1 31 GLY H . . 5.500 3.816 2.913 4.363 . 0 0 "[ . 1 . 2 .]" 1
239 1 30 VAL MG1 1 31 GLY H . . 5.610 4.147 3.716 4.405 . 0 0 "[ . 1 . 2 .]" 1
240 1 30 VAL MG1 1 32 LYS H . . 6.430 5.091 4.419 5.521 . 0 0 "[ . 1 . 2 .]" 1
241 1 31 GLY H 1 32 LYS H . . 4.120 2.443 2.116 2.741 . 0 0 "[ . 1 . 2 .]" 1
242 1 32 LYS H 1 32 LYS HB2 . . 4.100 3.906 3.819 3.974 . 0 0 "[ . 1 . 2 .]" 1
243 1 32 LYS H 1 32 LYS HB3 . . 3.760 3.079 2.958 3.187 . 0 0 "[ . 1 . 2 .]" 1
244 1 32 LYS H 1 32 LYS HG3 . . 3.960 3.025 2.699 3.223 . 0 0 "[ . 1 . 2 .]" 1
245 1 32 LYS HA 1 32 LYS HD2 . . 5.400 5.309 5.200 5.373 . 0 0 "[ . 1 . 2 .]" 1
246 1 32 LYS HA 1 32 LYS HD3 . . 4.270 4.297 4.132 4.391 0.121 1 0 "[ . 1 . 2 .]" 1
247 1 32 LYS HA 1 33 PRO HD2 . . 3.390 2.764 2.224 3.022 . 0 0 "[ . 1 . 2 .]" 1
248 1 32 LYS HA 1 33 PRO HD3 . . 3.300 2.062 1.844 2.518 . 0 0 "[ . 1 . 2 .]" 1
249 1 32 LYS HB2 1 33 PRO HD2 . . 4.050 2.350 1.901 2.705 . 0 0 "[ . 1 . 2 .]" 1
250 1 32 LYS HB2 1 33 PRO HD3 . . 4.010 3.146 2.831 3.718 . 0 0 "[ . 1 . 2 .]" 1
251 1 32 LYS HB2 1 102 ILE MG . . 5.590 3.908 3.446 4.861 . 0 0 "[ . 1 . 2 .]" 1
252 1 32 LYS HB3 1 32 LYS HD2 . . 4.250 3.960 3.869 4.062 . 0 0 "[ . 1 . 2 .]" 1
253 1 32 LYS HB3 1 33 PRO HD2 . . 4.410 3.930 3.460 4.274 . 0 0 "[ . 1 . 2 .]" 1
254 1 32 LYS HG2 1 102 ILE MG . . 5.800 4.666 4.361 5.198 . 0 0 "[ . 1 . 2 .]" 1
255 1 32 LYS HG2 1 102 ILE MD . . 5.450 4.514 3.707 5.494 0.044 3 0 "[ . 1 . 2 .]" 1
256 1 32 LYS HD2 1 34 PHE HA . . 4.580 4.164 3.672 4.613 0.033 18 0 "[ . 1 . 2 .]" 1
257 1 32 LYS HD2 1 34 PHE HB3 . . 3.720 2.558 2.195 3.367 . 0 0 "[ . 1 . 2 .]" 1
258 1 32 LYS HD2 1 102 ILE HA . . 3.980 3.804 3.560 4.030 0.050 9 0 "[ . 1 . 2 .]" 1
259 1 32 LYS HD2 1 102 ILE MD . . 4.020 2.560 1.570 3.694 . 0 0 "[ . 1 . 2 .]" 1
260 1 32 LYS HD2 1 103 THR H . . 5.250 5.161 4.745 5.314 0.064 14 0 "[ . 1 . 2 .]" 1
261 1 32 LYS HD3 1 34 PHE HB3 . . 3.620 3.628 3.180 3.725 0.105 11 0 "[ . 1 . 2 .]" 1
262 1 32 LYS HD3 1 102 ILE MG . . 5.270 2.346 2.043 2.911 . 0 0 "[ . 1 . 2 .]" 1
263 1 32 LYS HD3 1 102 ILE MD . . 5.240 3.242 2.581 4.501 . 0 0 "[ . 1 . 2 .]" 1
264 1 33 PRO HA 1 34 PHE H . . 2.990 2.265 2.150 2.417 . 0 0 "[ . 1 . 2 .]" 1
265 1 33 PRO HA 1 34 PHE QD . . 6.740 3.792 3.542 4.086 . 0 0 "[ . 1 . 2 .]" 1
266 1 33 PRO HB3 1 34 PHE H . . 4.500 4.249 3.910 4.539 0.039 24 0 "[ . 1 . 2 .]" 1
267 1 33 PRO HB3 1 103 THR H . . 5.790 5.167 4.701 5.684 . 0 0 "[ . 1 . 2 .]" 1
268 1 33 PRO HB3 1 103 THR MG . . 5.470 4.779 3.021 5.517 0.047 10 0 "[ . 1 . 2 .]" 1
269 1 34 PHE H 1 35 ARG H . . 5.180 4.427 4.343 4.519 . 0 0 "[ . 1 . 2 .]" 1
270 1 34 PHE HA 1 35 ARG H . . 3.180 2.317 2.109 2.576 . 0 0 "[ . 1 . 2 .]" 1
271 1 34 PHE HA 1 102 ILE HA . . 3.440 2.191 2.086 2.384 . 0 0 "[ . 1 . 2 .]" 1
272 1 34 PHE HA 1 102 ILE HB . . 5.080 5.145 5.053 5.287 0.207 3 0 "[ . 1 . 2 .]" 1
273 1 34 PHE HA 1 102 ILE MG . . 5.310 3.457 3.147 4.070 . 0 0 "[ . 1 . 2 .]" 1
274 1 34 PHE HA 1 102 ILE MD . . 5.810 4.123 2.729 5.743 . 0 0 "[ . 1 . 2 .]" 1
275 1 34 PHE HA 1 103 THR H . . 4.360 2.181 1.662 2.833 . 0 0 "[ . 1 . 2 .]" 1
276 1 34 PHE HA 1 103 THR MG . . 5.590 4.676 2.610 5.475 . 0 0 "[ . 1 . 2 .]" 1
277 1 34 PHE HB2 1 35 ARG H . . 4.020 2.730 2.367 3.095 . 0 0 "[ . 1 . 2 .]" 1
278 1 34 PHE HB2 1 100 LEU HB2 . . 4.390 4.167 3.504 4.442 0.052 19 0 "[ . 1 . 2 .]" 1
279 1 34 PHE HB2 1 100 LEU HB3 . . 4.520 2.932 2.477 3.418 . 0 0 "[ . 1 . 2 .]" 1
280 1 34 PHE HB2 1 102 ILE H . . 5.330 4.786 4.111 5.342 0.012 6 0 "[ . 1 . 2 .]" 1
281 1 34 PHE HB2 1 102 ILE HA . . 3.970 3.063 2.399 3.418 . 0 0 "[ . 1 . 2 .]" 1
282 1 34 PHE HB2 1 102 ILE MG . . 5.430 4.224 3.774 4.973 . 0 0 "[ . 1 . 2 .]" 1
283 1 34 PHE HB2 1 102 ILE QG . . 4.960 3.993 3.131 4.846 . 0 0 "[ . 1 . 2 .]" 1
284 1 34 PHE HB2 1 102 ILE MD . . 5.520 3.535 2.022 5.469 . 0 0 "[ . 1 . 2 .]" 1
285 1 34 PHE HB2 1 103 THR H . . 5.480 4.282 3.575 4.909 . 0 0 "[ . 1 . 2 .]" 1
286 1 34 PHE HB3 1 35 ARG H . . 4.130 4.019 3.787 4.192 0.062 22 0 "[ . 1 . 2 .]" 1
287 1 34 PHE HB3 1 100 LEU HB3 . . 5.500 4.536 4.102 5.027 . 0 0 "[ . 1 . 2 .]" 1
288 1 34 PHE HB3 1 102 ILE HA . . 3.810 3.552 3.096 3.844 0.034 23 0 "[ . 1 . 2 .]" 1
289 1 34 PHE HB3 1 102 ILE QG . . 5.400 4.303 3.286 5.237 . 0 0 "[ . 1 . 2 .]" 1
290 1 34 PHE HB3 1 102 ILE MD . . 5.360 3.744 2.102 5.397 0.037 3 0 "[ . 1 . 2 .]" 1
291 1 34 PHE HB3 1 103 THR H . . 5.000 4.441 3.652 4.985 . 0 0 "[ . 1 . 2 .]" 1
292 1 34 PHE QD 1 35 ARG H . . 7.090 3.458 2.967 3.973 . 0 0 "[ . 1 . 2 .]" 1
293 1 34 PHE QD 1 100 LEU HB3 . . 5.770 2.243 1.729 2.667 . 0 0 "[ . 1 . 2 .]" 1
294 1 34 PHE QD 1 100 LEU MD1 . . 6.620 2.873 2.355 3.513 . 0 0 "[ . 1 . 2 .]" 1
295 1 34 PHE QD 1 100 LEU MD2 . . 7.910 3.634 3.199 4.187 . 0 0 "[ . 1 . 2 .]" 1
296 1 34 PHE QE 1 35 ARG H . . 7.700 5.323 4.694 5.812 . 0 0 "[ . 1 . 2 .]" 1
297 1 34 PHE QE 1 100 LEU MD1 . . 6.890 2.537 2.136 3.132 . 0 0 "[ . 1 . 2 .]" 1
298 1 35 ARG H 1 35 ARG HB2 . . 4.180 2.957 2.585 3.295 . 0 0 "[ . 1 . 2 .]" 1
299 1 35 ARG H 1 35 ARG HG2 . . 4.650 4.506 4.131 4.769 0.119 7 0 "[ . 1 . 2 .]" 1
300 1 35 ARG H 1 35 ARG HG3 . . 4.630 4.455 3.966 4.692 0.062 11 0 "[ . 1 . 2 .]" 1
301 1 35 ARG H 1 101 ASN H . . 4.290 2.961 2.357 3.494 . 0 0 "[ . 1 . 2 .]" 1
302 1 35 ARG H 1 101 ASN HB3 . . 4.790 3.516 2.837 3.903 . 0 0 "[ . 1 . 2 .]" 1
303 1 35 ARG H 1 102 ILE HA . . 4.480 3.282 2.798 3.885 . 0 0 "[ . 1 . 2 .]" 1
304 1 35 ARG H 1 102 ILE QG . . 6.230 5.036 4.257 5.622 . 0 0 "[ . 1 . 2 .]" 1
305 1 35 ARG H 1 102 ILE MD . . 6.600 4.879 3.481 6.580 . 0 0 "[ . 1 . 2 .]" 1
306 1 35 ARG H 1 103 THR MG . . 6.330 4.918 2.679 5.659 . 0 0 "[ . 1 . 2 .]" 1
307 1 35 ARG HA 1 35 ARG HG3 . . 4.110 2.652 2.168 3.216 . 0 0 "[ . 1 . 2 .]" 1
308 1 35 ARG HA 1 35 ARG HD3 . . 5.000 4.291 2.315 4.875 . 0 0 "[ . 1 . 2 .]" 1
309 1 35 ARG HA 1 36 ASP H . . 3.520 2.159 2.112 2.213 . 0 0 "[ . 1 . 2 .]" 1
310 1 35 ARG HB2 1 35 ARG HD2 . . 4.160 2.553 1.951 3.509 . 0 0 "[ . 1 . 2 .]" 1
311 1 35 ARG HB2 1 36 ASP H . . 5.340 4.295 4.031 4.495 . 0 0 "[ . 1 . 2 .]" 1
312 1 35 ARG HB2 1 101 ASN H . . 4.850 4.602 4.049 4.932 0.082 10 0 "[ . 1 . 2 .]" 1
313 1 35 ARG HB2 1 101 ASN HB3 . . 3.970 3.528 2.676 4.008 0.038 17 0 "[ . 1 . 2 .]" 1
314 1 35 ARG HB2 1 103 THR HB . . 4.310 4.246 3.707 4.466 0.156 2 0 "[ . 1 . 2 .]" 1
315 1 35 ARG HB3 1 35 ARG HD3 . . 4.250 3.434 2.604 4.153 . 0 0 "[ . 1 . 2 .]" 1
316 1 35 ARG HB3 1 101 ASN H . . 4.600 3.090 2.635 3.477 . 0 0 "[ . 1 . 2 .]" 1
317 1 35 ARG HB3 1 101 ASN HB3 . . 4.120 2.075 1.530 2.569 . 0 0 "[ . 1 . 2 .]" 1
318 1 35 ARG HG2 1 101 ASN HB2 . . 5.000 4.491 3.598 5.035 0.035 7 0 "[ . 1 . 2 .]" 1
319 1 35 ARG HD3 1 37 LEU MD1 . . 5.100 4.550 2.848 5.165 0.065 3 0 "[ . 1 . 2 .]" 1
320 1 35 ARG HD3 1 37 LEU MD2 . . 6.600 5.025 2.636 6.657 0.057 20 0 "[ . 1 . 2 .]" 1
321 1 36 ASP H 1 36 ASP HB3 . . 4.150 2.505 2.098 3.381 . 0 0 "[ . 1 . 2 .]" 1
322 1 36 ASP HA 1 37 LEU H . . 3.270 2.161 2.113 2.262 . 0 0 "[ . 1 . 2 .]" 1
323 1 36 ASP HA 1 100 LEU HA . . 4.020 3.255 2.696 3.879 . 0 0 "[ . 1 . 2 .]" 1
324 1 36 ASP HA 1 100 LEU MD1 . . 4.430 1.693 1.370 2.057 . 0 0 "[ . 1 . 2 .]" 1
325 1 36 ASP HB2 1 37 LEU H . . 5.300 3.950 3.014 4.565 . 0 0 "[ . 1 . 2 .]" 1
326 1 36 ASP HB2 1 100 LEU MD1 . . 5.430 3.117 2.471 3.955 . 0 0 "[ . 1 . 2 .]" 1
327 1 36 ASP HB3 1 37 LEU H . . 5.270 4.282 3.517 4.513 . 0 0 "[ . 1 . 2 .]" 1
328 1 37 LEU H 1 37 LEU HB2 . . 4.170 2.356 2.093 2.644 . 0 0 "[ . 1 . 2 .]" 1
329 1 37 LEU H 1 37 LEU HG . . 4.260 3.592 2.925 4.414 0.154 17 0 "[ . 1 . 2 .]" 1
330 1 37 LEU H 1 37 LEU MD1 . . 5.360 3.273 2.573 3.898 . 0 0 "[ . 1 . 2 .]" 1
331 1 37 LEU H 1 37 LEU MD2 . . 5.680 4.405 4.070 4.716 . 0 0 "[ . 1 . 2 .]" 1
332 1 37 LEU H 1 38 GLY H . . 4.000 2.549 2.030 2.924 . 0 0 "[ . 1 . 2 .]" 1
333 1 37 LEU H 1 100 LEU HA . . 4.020 2.791 2.141 3.358 . 0 0 "[ . 1 . 2 .]" 1
334 1 37 LEU H 1 100 LEU MD1 . . 5.240 2.196 1.591 2.522 . 0 0 "[ . 1 . 2 .]" 1
335 1 37 LEU H 1 100 LEU MD2 . . 6.600 4.660 4.329 4.992 . 0 0 "[ . 1 . 2 .]" 1
336 1 37 LEU HA 1 37 LEU MD1 . . 4.060 3.522 2.350 3.848 . 0 0 "[ . 1 . 2 .]" 1
337 1 37 LEU HB2 1 70 MET ME . . 5.000 3.973 2.847 4.707 . 0 0 "[ . 1 . 2 .]" 1
338 1 37 LEU HB2 1 99 ALA MB . . 4.920 3.276 2.627 4.524 . 0 0 "[ . 1 . 2 .]" 1
339 1 37 LEU HB2 1 100 LEU HA . . 3.690 3.043 2.104 3.618 . 0 0 "[ . 1 . 2 .]" 1
340 1 37 LEU HB3 1 70 MET ME . . 3.710 3.212 2.282 3.740 0.030 7 0 "[ . 1 . 2 .]" 1
341 1 37 LEU HB3 1 99 ALA H . . 5.670 5.555 4.942 5.742 0.072 11 0 "[ . 1 . 2 .]" 1
342 1 37 LEU HB3 1 99 ALA MB . . 4.620 3.590 3.197 4.043 . 0 0 "[ . 1 . 2 .]" 1
343 1 37 LEU HG 1 38 GLY H . . 4.530 4.560 4.221 4.666 0.136 23 0 "[ . 1 . 2 .]" 1
344 1 37 LEU HG 1 100 LEU HA . . 4.760 4.556 3.926 4.887 0.127 17 0 "[ . 1 . 2 .]" 1
345 1 37 LEU HG 1 101 ASN H . . 5.000 4.470 3.614 5.072 0.072 17 0 "[ . 1 . 2 .]" 1
346 1 37 LEU HG 1 101 ASN HB2 . . 4.520 4.156 3.182 4.548 0.028 17 0 "[ . 1 . 2 .]" 1
347 1 37 LEU MD1 1 71 LYS QG . . 6.600 4.892 2.385 5.922 . 0 0 "[ . 1 . 2 .]" 1
348 1 37 LEU MD1 1 100 LEU HA . . 5.540 2.837 2.270 3.877 . 0 0 "[ . 1 . 2 .]" 1
349 1 37 LEU MD1 1 100 LEU MD1 . . 6.380 3.732 3.132 4.475 . 0 0 "[ . 1 . 2 .]" 1
350 1 37 LEU MD1 1 101 ASN H . . 5.640 2.664 2.165 3.166 . 0 0 "[ . 1 . 2 .]" 1
351 1 37 LEU MD1 1 101 ASN HA . . 5.740 3.625 3.413 4.227 . 0 0 "[ . 1 . 2 .]" 1
352 1 37 LEU MD1 1 101 ASN HB2 . . 4.730 1.981 1.568 2.339 . 0 0 "[ . 1 . 2 .]" 1
353 1 37 LEU MD1 1 101 ASN HB3 . . 4.870 2.615 2.061 3.117 . 0 0 "[ . 1 . 2 .]" 1
354 1 37 LEU MD2 1 38 GLY H . . 6.430 4.298 3.804 4.770 . 0 0 "[ . 1 . 2 .]" 1
355 1 37 LEU MD2 1 70 MET HB2 . . 5.330 4.835 3.729 5.363 0.033 9 0 "[ . 1 . 2 .]" 1
356 1 37 LEU MD2 1 70 MET HB3 . . 5.390 3.595 2.680 4.442 . 0 0 "[ . 1 . 2 .]" 1
357 1 37 LEU MD2 1 70 MET ME . . 5.600 3.542 2.276 4.717 . 0 0 "[ . 1 . 2 .]" 1
358 1 37 LEU MD2 1 71 LYS H . . 6.600 5.272 4.468 6.073 . 0 0 "[ . 1 . 2 .]" 1
359 1 37 LEU MD2 1 71 LYS HB2 . . 5.600 3.819 2.865 4.865 . 0 0 "[ . 1 . 2 .]" 1
360 1 37 LEU MD2 1 71 LYS HB3 . . 5.730 3.451 2.100 4.316 . 0 0 "[ . 1 . 2 .]" 1
361 1 37 LEU MD2 1 71 LYS QG . . 5.370 4.497 2.073 5.391 0.021 2 0 "[ . 1 . 2 .]" 1
362 1 37 LEU MD2 1 72 ALA H . . 5.340 4.494 3.326 5.203 . 0 0 "[ . 1 . 2 .]" 1
363 1 37 LEU MD2 1 72 ALA HA . . 4.490 4.133 2.319 4.543 0.053 18 0 "[ . 1 . 2 .]" 1
364 1 37 LEU MD2 1 72 ALA MB . . 5.060 3.555 1.952 4.208 . 0 0 "[ . 1 . 2 .]" 1
365 1 37 LEU MD2 1 101 ASN HA . . 6.210 5.648 3.459 6.214 0.004 8 0 "[ . 1 . 2 .]" 1
366 1 37 LEU MD2 1 101 ASN HB2 . . 4.520 3.769 1.792 4.526 0.006 21 0 "[ . 1 . 2 .]" 1
367 1 37 LEU MD2 1 101 ASN HB3 . . 5.080 4.502 3.038 5.091 0.011 1 0 "[ . 1 . 2 .]" 1
368 1 38 GLY H 1 39 GLU H . . 4.810 4.180 4.018 4.312 . 0 0 "[ . 1 . 2 .]" 1
369 1 38 GLY H 1 70 MET ME . . 4.500 3.719 3.258 4.202 . 0 0 "[ . 1 . 2 .]" 1
370 1 38 GLY H 1 99 ALA H . . 5.220 3.509 3.276 3.805 . 0 0 "[ . 1 . 2 .]" 1
371 1 38 GLY H 1 99 ALA MB . . 5.480 3.106 2.758 3.605 . 0 0 "[ . 1 . 2 .]" 1
372 1 38 GLY H 1 100 LEU HA . . 4.690 4.054 3.165 4.324 . 0 0 "[ . 1 . 2 .]" 1
373 1 38 GLY H 1 100 LEU MD1 . . 6.600 3.204 2.379 3.606 . 0 0 "[ . 1 . 2 .]" 1
374 1 38 GLY HA2 1 39 GLU H . . 3.360 2.860 2.258 3.051 . 0 0 "[ . 1 . 2 .]" 1
375 1 38 GLY HA2 1 39 GLU HB2 . . 5.500 4.232 3.977 5.591 0.091 6 0 "[ . 1 . 2 .]" 1
376 1 38 GLY HA2 1 39 GLU HB3 . . 5.000 4.982 4.273 5.132 0.132 10 0 "[ . 1 . 2 .]" 1
377 1 38 GLY HA2 1 70 MET ME . . 5.230 4.543 3.994 5.185 . 0 0 "[ . 1 . 2 .]" 1
378 1 38 GLY HA2 1 99 ALA H . . 4.870 4.719 4.581 4.914 0.044 7 0 "[ . 1 . 2 .]" 1
379 1 38 GLY HA3 1 39 GLU H . . 3.380 2.324 2.142 2.917 . 0 0 "[ . 1 . 2 .]" 1
380 1 38 GLY HA3 1 70 MET ME . . 3.790 3.162 2.486 3.814 0.024 6 0 "[ . 1 . 2 .]" 1
381 1 38 GLY HA3 1 99 ALA H . . 4.920 4.612 4.412 4.927 0.007 14 0 "[ . 1 . 2 .]" 1
382 1 38 GLY HA3 1 99 ALA MB . . 5.370 4.078 3.678 4.565 . 0 0 "[ . 1 . 2 .]" 1
383 1 39 GLU H 1 39 GLU HB2 . . 3.590 2.978 2.264 3.575 . 0 0 "[ . 1 . 2 .]" 1
384 1 39 GLU H 1 39 GLU HB3 . . 3.310 2.847 2.367 3.001 . 0 0 "[ . 1 . 2 .]" 1
385 1 39 GLU H 1 39 GLU HG3 . . 4.700 4.533 4.002 4.762 0.062 8 0 "[ . 1 . 2 .]" 1
386 1 39 GLU H 1 40 VAL H . . 4.940 4.348 4.037 4.587 . 0 0 "[ . 1 . 2 .]" 1
387 1 39 GLU H 1 98 SER HA . . 5.500 4.613 3.565 5.154 . 0 0 "[ . 1 . 2 .]" 1
388 1 39 GLU H 1 99 ALA H . . 5.350 4.108 3.763 4.479 . 0 0 "[ . 1 . 2 .]" 1
389 1 39 GLU HA 1 39 GLU HG2 . . 4.240 3.469 2.652 3.645 . 0 0 "[ . 1 . 2 .]" 1
390 1 39 GLU HA 1 39 GLU HG3 . . 3.910 2.379 2.180 3.855 . 0 0 "[ . 1 . 2 .]" 1
391 1 39 GLU HA 1 98 SER HA . . 3.590 1.914 1.394 2.415 . 0 0 "[ . 1 . 2 .]" 1
392 1 39 GLU HB2 1 40 VAL H . . 4.270 4.209 3.005 4.366 0.096 25 0 "[ . 1 . 2 .]" 1
393 1 39 GLU HB3 1 39 GLU HG2 . . 2.920 2.260 2.206 2.692 . 0 0 "[ . 1 . 2 .]" 1
394 1 39 GLU HB3 1 40 VAL H . . 4.680 3.933 3.743 4.323 . 0 0 "[ . 1 . 2 .]" 1
395 1 39 GLU HB3 1 98 SER HA . . 4.880 4.301 2.579 4.813 . 0 0 "[ . 1 . 2 .]" 1
396 1 39 GLU HB3 1 99 ALA H . . 5.370 5.038 4.208 5.417 0.047 13 0 "[ . 1 . 2 .]" 1
397 1 39 GLU HG2 1 40 VAL H . . 4.260 3.586 2.372 4.265 0.005 6 0 "[ . 1 . 2 .]" 1
398 1 39 GLU HG2 1 98 SER HA . . 4.950 4.101 3.379 4.582 . 0 0 "[ . 1 . 2 .]" 1
399 1 39 GLU HG3 1 40 VAL H . . 4.090 2.621 2.213 3.926 . 0 0 "[ . 1 . 2 .]" 1
400 1 39 GLU HG3 1 96 ILE MG . . 4.820 3.099 2.567 3.610 . 0 0 "[ . 1 . 2 .]" 1
401 1 39 GLU HG3 1 98 SER HA . . 4.450 2.560 1.997 4.473 0.023 6 0 "[ . 1 . 2 .]" 1
402 1 40 VAL H 1 40 VAL HB . . 4.060 2.843 2.574 3.034 . 0 0 "[ . 1 . 2 .]" 1
403 1 40 VAL H 1 40 VAL MG1 . . 4.510 2.728 2.258 3.039 . 0 0 "[ . 1 . 2 .]" 1
404 1 40 VAL H 1 41 SER H . . 5.400 4.446 4.361 4.535 . 0 0 "[ . 1 . 2 .]" 1
405 1 40 VAL H 1 67 ALA HA . . 5.890 5.921 5.730 5.973 0.083 10 0 "[ . 1 . 2 .]" 1
406 1 40 VAL H 1 98 SER HA . . 4.130 3.095 2.872 3.457 . 0 0 "[ . 1 . 2 .]" 1
407 1 40 VAL H 1 99 ALA H . . 4.800 3.207 2.782 3.722 . 0 0 "[ . 1 . 2 .]" 1
408 1 40 VAL H 1 99 ALA MB . . 4.740 3.255 2.664 3.646 . 0 0 "[ . 1 . 2 .]" 1
409 1 40 VAL HA 1 41 SER H . . 3.050 2.362 2.269 2.457 . 0 0 "[ . 1 . 2 .]" 1
410 1 40 VAL HA 1 99 ALA MB . . 5.660 4.468 3.982 4.826 . 0 0 "[ . 1 . 2 .]" 1
411 1 40 VAL HB 1 41 SER H . . 4.370 4.105 3.989 4.204 . 0 0 "[ . 1 . 2 .]" 1
412 1 40 VAL HB 1 67 ALA H . . 4.860 4.900 4.841 4.941 0.081 14 0 "[ . 1 . 2 .]" 1
413 1 40 VAL HB 1 67 ALA HA . . 4.390 3.519 3.310 3.981 . 0 0 "[ . 1 . 2 .]" 1
414 1 40 VAL HB 1 67 ALA MB . . 4.740 3.771 3.421 4.216 . 0 0 "[ . 1 . 2 .]" 1
415 1 40 VAL MG1 1 41 SER H . . 5.410 2.983 2.634 3.272 . 0 0 "[ . 1 . 2 .]" 1
416 1 40 VAL MG1 1 63 MET HA . . 5.730 2.941 2.587 3.372 . 0 0 "[ . 1 . 2 .]" 1
417 1 40 VAL MG1 1 67 ALA H . . 5.570 2.849 2.709 3.265 . 0 0 "[ . 1 . 2 .]" 1
418 1 40 VAL MG1 1 67 ALA HA . . 4.970 2.874 2.523 3.269 . 0 0 "[ . 1 . 2 .]" 1
419 1 40 VAL MG1 1 70 MET ME . . 5.740 4.092 3.158 5.178 . 0 0 "[ . 1 . 2 .]" 1
420 1 40 VAL MG1 1 97 GLY H . . 5.510 3.649 3.287 4.019 . 0 0 "[ . 1 . 2 .]" 1
421 1 40 VAL MG1 1 98 SER HA . . 5.530 4.844 4.129 5.228 . 0 0 "[ . 1 . 2 .]" 1
422 1 40 VAL MG1 1 99 ALA H . . 5.420 4.352 3.515 4.858 . 0 0 "[ . 1 . 2 .]" 1
423 1 40 VAL MG1 1 99 ALA HA . . 5.360 4.021 3.506 4.415 . 0 0 "[ . 1 . 2 .]" 1
424 1 40 VAL MG1 1 99 ALA MB . . 5.210 2.722 2.135 3.246 . 0 0 "[ . 1 . 2 .]" 1
425 1 40 VAL MG2 1 41 SER H . . 4.430 2.200 1.790 2.513 . 0 0 "[ . 1 . 2 .]" 1
426 1 40 VAL MG2 1 63 MET HA . . 5.080 3.955 3.330 4.474 . 0 0 "[ . 1 . 2 .]" 1
427 1 40 VAL MG2 1 66 ASN HB2 . . 4.470 2.811 2.504 3.141 . 0 0 "[ . 1 . 2 .]" 1
428 1 40 VAL MG2 1 66 ASN HB3 . . 4.970 1.604 1.301 1.931 . 0 0 "[ . 1 . 2 .]" 1
429 1 40 VAL MG2 1 67 ALA H . . 4.780 3.675 3.110 4.046 . 0 0 "[ . 1 . 2 .]" 1
430 1 40 VAL MG2 1 67 ALA HA . . 4.540 3.305 2.685 4.061 . 0 0 "[ . 1 . 2 .]" 1
431 1 40 VAL MG2 1 67 ALA MB . . 5.440 3.850 3.095 4.389 . 0 0 "[ . 1 . 2 .]" 1
432 1 40 VAL MG2 1 70 MET ME . . 5.680 3.113 1.939 4.317 . 0 0 "[ . 1 . 2 .]" 1
433 1 40 VAL MG2 1 99 ALA MB . . 5.600 3.632 3.219 3.976 . 0 0 "[ . 1 . 2 .]" 1
434 1 41 SER H 1 42 GLY H . . 4.620 4.358 4.197 4.448 . 0 0 "[ . 1 . 2 .]" 1
435 1 41 SER H 1 66 ASN HB3 . . 5.110 4.100 3.697 4.607 . 0 0 "[ . 1 . 2 .]" 1
436 1 41 SER H 1 66 ASN HD21 . . 5.500 4.076 3.001 5.517 0.017 23 0 "[ . 1 . 2 .]" 1
437 1 41 SER H 1 96 ILE HA . . 5.500 4.943 4.640 5.178 . 0 0 "[ . 1 . 2 .]" 1
438 1 41 SER HA 1 42 GLY H . . 3.290 2.191 2.097 2.300 . 0 0 "[ . 1 . 2 .]" 1
439 1 41 SER HA 1 63 MET HB2 . . 4.510 4.023 3.461 4.519 0.009 22 0 "[ . 1 . 2 .]" 1
440 1 41 SER HA 1 63 MET HG2 . . 3.920 3.962 3.937 3.991 0.071 6 0 "[ . 1 . 2 .]" 1
441 1 41 SER HA 1 96 ILE HA . . 3.450 2.351 2.091 2.546 . 0 0 "[ . 1 . 2 .]" 1
442 1 41 SER HA 1 96 ILE MG . . 5.380 3.464 3.037 3.925 . 0 0 "[ . 1 . 2 .]" 1
443 1 41 SER HA 1 97 GLY H . . 4.050 3.148 2.996 3.269 . 0 0 "[ . 1 . 2 .]" 1
444 1 41 SER HB2 1 42 GLY H . . 4.030 3.439 2.729 3.886 . 0 0 "[ . 1 . 2 .]" 1
445 1 41 SER HB2 1 94 VAL MG1 . . 5.150 3.051 2.333 4.835 . 0 0 "[ . 1 . 2 .]" 1
446 1 41 SER HB2 1 96 ILE HA . . 4.590 4.248 3.637 4.612 0.022 13 0 "[ . 1 . 2 .]" 1
447 1 41 SER HB2 1 96 ILE HG12 . . 4.450 4.085 3.343 4.486 0.036 22 0 "[ . 1 . 2 .]" 1
448 1 41 SER HB3 1 42 GLY H . . 3.820 3.285 2.850 3.822 0.002 21 0 "[ . 1 . 2 .]" 1
449 1 41 SER HB3 1 94 VAL MG1 . . 4.830 2.901 2.285 4.942 0.112 17 0 "[ . 1 . 2 .]" 1
450 1 41 SER HB3 1 96 ILE H . . 5.500 4.731 4.171 5.419 . 0 0 "[ . 1 . 2 .]" 1
451 1 41 SER HB3 1 96 ILE HA . . 4.070 2.737 2.202 3.199 . 0 0 "[ . 1 . 2 .]" 1
452 1 41 SER HB3 1 96 ILE MG . . 5.040 2.913 2.039 3.717 . 0 0 "[ . 1 . 2 .]" 1
453 1 41 SER HB3 1 96 ILE HG12 . . 4.320 2.678 1.752 3.133 . 0 0 "[ . 1 . 2 .]" 1
454 1 41 SER HB3 1 96 ILE HG13 . . 4.610 3.118 2.500 4.246 . 0 0 "[ . 1 . 2 .]" 1
455 1 41 SER HB3 1 96 ILE MD . . 5.320 4.139 3.357 4.586 . 0 0 "[ . 1 . 2 .]" 1
456 1 41 SER HB3 1 97 GLY H . . 4.800 4.370 3.798 4.797 . 0 0 "[ . 1 . 2 .]" 1
457 1 42 GLY H 1 59 ALA MB . . 6.600 4.526 4.317 4.826 . 0 0 "[ . 1 . 2 .]" 1
458 1 42 GLY H 1 63 MET HB2 . . 4.610 2.575 2.206 3.020 . 0 0 "[ . 1 . 2 .]" 1
459 1 42 GLY H 1 63 MET HB3 . . 4.760 4.187 3.876 4.576 . 0 0 "[ . 1 . 2 .]" 1
460 1 42 GLY H 1 63 MET HG2 . . 5.300 4.129 3.631 4.602 . 0 0 "[ . 1 . 2 .]" 1
461 1 42 GLY H 1 94 VAL MG1 . . 5.470 3.911 3.465 5.174 . 0 0 "[ . 1 . 2 .]" 1
462 1 42 GLY H 1 95 CYS H . . 4.270 3.315 2.840 3.864 . 0 0 "[ . 1 . 2 .]" 1
463 1 42 GLY H 1 95 CYS HB3 . . 5.500 3.986 3.222 4.468 . 0 0 "[ . 1 . 2 .]" 1
464 1 42 GLY H 1 96 ILE H . . 5.260 4.924 4.725 5.133 . 0 0 "[ . 1 . 2 .]" 1
465 1 42 GLY H 1 96 ILE HA . . 4.660 3.567 3.320 3.830 . 0 0 "[ . 1 . 2 .]" 1
466 1 42 GLY H 1 96 ILE HG12 . . 5.500 5.309 4.216 5.528 0.028 3 0 "[ . 1 . 2 .]" 1
467 1 42 GLY H 1 96 ILE HG13 . . 5.470 4.685 3.989 5.483 0.013 23 0 "[ . 1 . 2 .]" 1
468 1 42 GLY HA2 1 59 ALA HA . . 5.500 4.838 4.476 5.134 . 0 0 "[ . 1 . 2 .]" 1
469 1 42 GLY HA2 1 62 ARG HB2 . . 4.330 3.579 3.103 4.149 . 0 0 "[ . 1 . 2 .]" 1
470 1 42 GLY HA2 1 62 ARG HB3 . . 4.270 2.831 2.586 3.436 . 0 0 "[ . 1 . 2 .]" 1
471 1 42 GLY HA2 1 62 ARG HD3 . . 4.700 4.499 3.708 4.769 0.069 8 0 "[ . 1 . 2 .]" 1
472 1 42 GLY HA2 1 63 MET H . . 4.260 3.633 3.310 3.915 . 0 0 "[ . 1 . 2 .]" 1
473 1 42 GLY HA2 1 63 MET HA . . 3.950 3.106 2.881 3.474 . 0 0 "[ . 1 . 2 .]" 1
474 1 42 GLY HA2 1 63 MET HB2 . . 5.500 3.506 3.232 3.597 . 0 0 "[ . 1 . 2 .]" 1
475 1 42 GLY HA2 1 63 MET HB3 . . 5.000 4.997 4.673 5.054 0.054 6 0 "[ . 1 . 2 .]" 1
476 1 42 GLY HA3 1 43 ASP H . . 3.440 3.354 3.261 3.439 . 0 0 "[ . 1 . 2 .]" 1
477 1 42 GLY HA3 1 62 ARG HB2 . . 4.190 3.126 2.467 3.461 . 0 0 "[ . 1 . 2 .]" 1
478 1 42 GLY HA3 1 62 ARG HB3 . . 4.360 3.223 2.671 3.541 . 0 0 "[ . 1 . 2 .]" 1
479 1 42 GLY HA3 1 63 MET H . . 4.470 2.408 2.284 2.520 . 0 0 "[ . 1 . 2 .]" 1
480 1 42 GLY HA3 1 63 MET HA . . 4.690 2.833 2.490 3.185 . 0 0 "[ . 1 . 2 .]" 1
481 1 42 GLY HA3 1 63 MET HB3 . . 4.890 3.592 3.368 3.863 . 0 0 "[ . 1 . 2 .]" 1
482 1 43 ASP H 1 43 ASP HB3 . . 3.930 2.514 2.296 2.756 . 0 0 "[ . 1 . 2 .]" 1
483 1 43 ASP H 1 44 SER H . . 4.940 4.415 4.262 4.528 . 0 0 "[ . 1 . 2 .]" 1
484 1 43 ASP H 1 59 ALA HA . . 4.900 4.861 4.290 5.012 0.112 22 0 "[ . 1 . 2 .]" 1
485 1 43 ASP H 1 59 ALA MB . . 6.240 4.624 4.119 4.951 . 0 0 "[ . 1 . 2 .]" 1
486 1 43 ASP H 1 62 ARG HB2 . . 4.410 4.174 3.828 4.430 0.020 14 0 "[ . 1 . 2 .]" 1
487 1 43 ASP H 1 62 ARG HB3 . . 4.620 3.534 3.241 3.903 . 0 0 "[ . 1 . 2 .]" 1
488 1 43 ASP H 1 62 ARG HD3 . . 4.350 3.953 3.111 4.408 0.058 24 0 "[ . 1 . 2 .]" 1
489 1 43 ASP H 1 94 VAL MG2 . . 5.780 5.267 4.775 5.853 0.073 17 0 "[ . 1 . 2 .]" 1
490 1 43 ASP HA 1 44 SER H . . 3.350 2.165 2.072 2.440 . 0 0 "[ . 1 . 2 .]" 1
491 1 43 ASP HA 1 59 ALA MB . . 4.610 3.239 2.838 3.576 . 0 0 "[ . 1 . 2 .]" 1
492 1 43 ASP HA 1 93 ALA H . . 5.500 4.691 4.104 5.119 . 0 0 "[ . 1 . 2 .]" 1
493 1 43 ASP HA 1 94 VAL H . . 5.050 4.538 4.266 4.815 . 0 0 "[ . 1 . 2 .]" 1
494 1 43 ASP HA 1 94 VAL HA . . 3.640 2.096 1.690 2.329 . 0 0 "[ . 1 . 2 .]" 1
495 1 43 ASP HA 1 94 VAL MG1 . . 5.210 3.073 2.331 3.676 . 0 0 "[ . 1 . 2 .]" 1
496 1 43 ASP HA 1 94 VAL MG2 . . 5.220 3.287 2.730 4.242 . 0 0 "[ . 1 . 2 .]" 1
497 1 43 ASP HA 1 95 CYS H . . 4.300 3.272 2.875 3.624 . 0 0 "[ . 1 . 2 .]" 1
498 1 43 ASP HB2 1 44 SER H . . 3.750 3.306 2.397 3.772 0.022 20 0 "[ . 1 . 2 .]" 1
499 1 43 ASP HB2 1 59 ALA MB . . 6.780 5.132 4.661 5.486 . 0 0 "[ . 1 . 2 .]" 1
500 1 43 ASP HB2 1 92 GLN QG . . 5.170 3.444 2.599 4.421 . 0 0 "[ . 1 . 2 .]" 1
501 1 43 ASP HB2 1 92 GLN HE21 . . 4.610 3.345 2.454 4.649 0.039 14 0 "[ . 1 . 2 .]" 1
502 1 43 ASP HB2 1 93 ALA H . . 5.730 5.277 4.467 5.777 0.047 23 0 "[ . 1 . 2 .]" 1
503 1 43 ASP HB2 1 94 VAL MG2 . . 4.590 2.432 1.801 4.446 . 0 0 "[ . 1 . 2 .]" 1
504 1 43 ASP HB3 1 94 VAL HA . . 4.220 3.821 3.074 4.246 0.026 11 0 "[ . 1 . 2 .]" 1
505 1 43 ASP HB3 1 94 VAL MG1 . . 5.040 2.772 2.063 3.467 . 0 0 "[ . 1 . 2 .]" 1
506 1 43 ASP HB3 1 94 VAL MG2 . . 4.900 3.631 2.804 4.637 . 0 0 "[ . 1 . 2 .]" 1
507 1 43 ASP HB3 1 95 CYS H . . 5.450 5.081 4.372 5.515 0.065 10 0 "[ . 1 . 2 .]" 1
508 1 44 SER H 1 59 ALA MB . . 5.250 3.257 2.609 3.833 . 0 0 "[ . 1 . 2 .]" 1
509 1 44 SER H 1 92 GLN HA . . 5.440 4.235 3.853 4.584 . 0 0 "[ . 1 . 2 .]" 1
510 1 44 SER H 1 92 GLN QG . . 5.780 3.564 2.579 4.276 . 0 0 "[ . 1 . 2 .]" 1
511 1 44 SER H 1 93 ALA H . . 4.330 2.952 2.483 3.314 . 0 0 "[ . 1 . 2 .]" 1
512 1 44 SER H 1 93 ALA MB . . 5.410 3.372 2.938 3.810 . 0 0 "[ . 1 . 2 .]" 1
513 1 44 SER H 1 94 VAL H . . 5.500 4.739 4.475 5.001 . 0 0 "[ . 1 . 2 .]" 1
514 1 44 SER H 1 94 VAL HA . . 4.560 3.517 3.149 3.716 . 0 0 "[ . 1 . 2 .]" 1
515 1 44 SER H 1 94 VAL MG2 . . 5.670 3.786 3.136 5.274 . 0 0 "[ . 1 . 2 .]" 1
516 1 44 SER HA 1 59 ALA MB . . 6.200 4.725 4.097 5.263 . 0 0 "[ . 1 . 2 .]" 1
517 1 44 SER HB2 1 54 PRO HA . . 4.610 2.655 1.659 3.705 . 0 0 "[ . 1 . 2 .]" 1
518 1 44 SER HB2 1 59 ALA H . . 4.920 4.541 3.748 4.994 0.074 3 0 "[ . 1 . 2 .]" 1
519 1 44 SER HB2 1 59 ALA MB . . 5.090 3.267 2.206 4.075 . 0 0 "[ . 1 . 2 .]" 1
520 1 44 SER HB2 1 93 ALA H . . 4.780 3.293 2.677 4.043 . 0 0 "[ . 1 . 2 .]" 1
521 1 44 SER HB2 1 93 ALA MB . . 4.820 2.880 2.032 3.542 . 0 0 "[ . 1 . 2 .]" 1
522 1 44 SER HB3 1 59 ALA H . . 5.000 5.011 4.756 5.083 0.083 7 0 "[ . 1 . 2 .]" 1
523 1 44 SER HB3 1 59 ALA MB . . 4.940 4.116 3.504 4.499 . 0 0 "[ . 1 . 2 .]" 1
524 1 44 SER HB3 1 93 ALA H . . 5.500 4.317 2.794 5.018 . 0 0 "[ . 1 . 2 .]" 1
525 1 44 SER HB3 1 93 ALA MB . . 5.600 4.002 2.849 4.752 . 0 0 "[ . 1 . 2 .]" 1
526 1 45 CYS HA 1 46 GLN H . . 3.400 2.155 2.117 2.253 . 0 0 "[ . 1 . 2 .]" 1
527 1 45 CYS HA 1 92 GLN HA . . 3.870 2.064 1.836 2.547 . 0 0 "[ . 1 . 2 .]" 1
528 1 45 CYS HA 1 92 GLN HB2 . . 4.320 2.926 2.118 4.073 . 0 0 "[ . 1 . 2 .]" 1
529 1 45 CYS HA 1 92 GLN QG . . 4.930 2.873 2.203 4.313 . 0 0 "[ . 1 . 2 .]" 1
530 1 45 CYS HA 1 93 ALA H . . 4.510 3.615 3.243 3.864 . 0 0 "[ . 1 . 2 .]" 1
531 1 45 CYS HB2 1 46 GLN H . . 5.080 3.969 3.544 4.262 . 0 0 "[ . 1 . 2 .]" 1
532 1 46 GLN H 1 46 GLN HB3 . . 4.130 3.287 2.867 3.755 . 0 0 "[ . 1 . 2 .]" 1
533 1 46 GLN H 1 46 GLN HG3 . . 4.920 3.124 2.302 4.098 . 0 0 "[ . 1 . 2 .]" 1
534 1 46 GLN H 1 47 ALA H . . 5.500 4.292 3.614 4.535 . 0 0 "[ . 1 . 2 .]" 1
535 1 46 GLN H 1 91 ARG H . . 4.580 3.089 2.804 3.283 . 0 0 "[ . 1 . 2 .]" 1
536 1 46 GLN H 1 92 GLN HA . . 4.270 3.350 3.125 3.555 . 0 0 "[ . 1 . 2 .]" 1
537 1 46 GLN H 1 93 ALA H . . 5.880 4.947 4.490 5.567 . 0 0 "[ . 1 . 2 .]" 1
538 1 46 GLN HA 1 47 ALA H . . 3.570 2.170 2.117 2.432 . 0 0 "[ . 1 . 2 .]" 1
539 1 46 GLN HB2 1 54 PRO HD3 . . 4.150 3.949 3.366 4.229 0.079 15 0 "[ . 1 . 2 .]" 1
540 1 46 GLN HB2 1 91 ARG H . . 4.870 3.796 1.576 4.875 0.005 14 0 "[ . 1 . 2 .]" 1
541 1 46 GLN HB2 1 91 ARG HB3 . . 5.760 4.683 2.997 5.780 0.020 23 0 "[ . 1 . 2 .]" 1
542 1 46 GLN HB3 1 47 ALA H . . 5.270 3.989 2.732 4.356 . 0 0 "[ . 1 . 2 .]" 1
543 1 46 GLN HB3 1 54 PRO HD3 . . 4.400 3.325 2.036 4.442 0.042 13 0 "[ . 1 . 2 .]" 1
544 1 46 GLN HB3 1 91 ARG H . . 4.980 4.555 2.908 5.009 0.029 6 0 "[ . 1 . 2 .]" 1
545 1 46 GLN HG2 1 54 PRO HG2 . . 4.400 3.992 3.056 4.416 0.016 19 0 "[ . 1 . 2 .]" 1
546 1 46 GLN HG2 1 54 PRO HD2 . . 4.360 3.990 3.184 4.450 0.090 9 0 "[ . 1 . 2 .]" 1
547 1 46 GLN HG2 1 54 PRO HD3 . . 4.390 2.573 1.909 2.975 . 0 0 "[ . 1 . 2 .]" 1
548 1 46 GLN HG2 1 91 ARG H . . 4.320 3.427 2.544 4.383 0.063 20 0 "[ . 1 . 2 .]" 1
549 1 46 GLN HG2 1 92 GLN HA . . 4.500 4.428 3.993 4.584 0.084 8 0 "[ . 1 . 2 .]" 1
550 1 46 GLN HG3 1 91 ARG H . . 4.500 3.015 1.946 4.601 0.101 22 0 "[ . 1 . 2 .]" 1
551 1 47 ALA H 1 48 SER H . . 4.090 2.444 2.165 2.869 . 0 0 "[ . 1 . 2 .]" 1
552 1 47 ALA H 1 51 ASP HB2 . . 4.960 3.378 2.525 4.725 . 0 0 "[ . 1 . 2 .]" 1
553 1 47 ALA H 1 51 ASP HB3 . . 4.950 3.691 2.738 4.990 0.040 11 0 "[ . 1 . 2 .]" 1
554 1 47 ALA H 1 89 CYS HA . . 5.170 4.557 4.049 5.054 . 0 0 "[ . 1 . 2 .]" 1
555 1 47 ALA HA 1 89 CYS H . . 5.360 4.937 4.636 5.423 0.063 24 0 "[ . 1 . 2 .]" 1
556 1 47 ALA HA 1 89 CYS HA . . 3.220 2.834 2.286 3.271 0.051 20 0 "[ . 1 . 2 .]" 1
557 1 47 ALA HA 1 90 TYR H . . 3.960 2.931 1.788 3.920 . 0 0 "[ . 1 . 2 .]" 1
558 1 47 ALA MB 1 48 SER HB2 . . 5.160 4.227 3.342 5.176 0.016 22 0 "[ . 1 . 2 .]" 1
559 1 47 ALA MB 1 48 SER HB3 . . 5.880 4.619 3.886 4.992 . 0 0 "[ . 1 . 2 .]" 1
560 1 47 ALA MB 1 89 CYS HA . . 5.140 4.039 3.117 4.606 . 0 0 "[ . 1 . 2 .]" 1
561 1 47 ALA MB 1 90 TYR H . . 6.600 4.470 3.410 5.242 . 0 0 "[ . 1 . 2 .]" 1
562 1 48 SER H 1 50 GLN H . . 5.470 4.363 3.738 5.494 0.024 22 0 "[ . 1 . 2 .]" 1
563 1 48 SER H 1 51 ASP H . . 4.870 3.872 3.068 4.822 . 0 0 "[ . 1 . 2 .]" 1
564 1 48 SER H 1 51 ASP HB2 . . 4.190 2.774 1.992 3.791 . 0 0 "[ . 1 . 2 .]" 1
565 1 48 SER H 1 51 ASP HB3 . . 4.500 3.665 2.669 4.552 0.052 9 0 "[ . 1 . 2 .]" 1
566 1 48 SER H 1 90 TYR H . . 5.500 5.059 4.318 5.416 . 0 0 "[ . 1 . 2 .]" 1
567 1 48 SER HA 1 90 TYR HB2 . . 4.260 4.047 2.665 4.314 0.054 14 0 "[ . 1 . 2 .]" 1
568 1 48 SER HA 1 90 TYR HB3 . . 4.500 4.096 2.951 4.556 0.056 22 0 "[ . 1 . 2 .]" 1
569 1 48 SER HB3 1 50 GLN H . . 5.230 3.280 2.167 4.149 . 0 0 "[ . 1 . 2 .]" 1
570 1 48 SER HB3 1 51 ASP H . . 5.500 4.966 2.922 5.535 0.035 25 0 "[ . 1 . 2 .]" 1
571 1 49 ASN H 1 51 ASP H . . 5.110 4.322 4.012 4.917 . 0 0 "[ . 1 . 2 .]" 1
572 1 49 ASN HA 1 49 ASN HD22 . . 4.290 4.039 3.208 4.459 0.169 19 0 "[ . 1 . 2 .]" 1
573 1 49 ASN HA 1 51 ASP H . . 4.970 3.498 3.117 3.878 . 0 0 "[ . 1 . 2 .]" 1
574 1 49 ASN HB2 1 50 GLN H . . 5.330 3.956 3.414 4.481 . 0 0 "[ . 1 . 2 .]" 1
575 1 50 GLN H 1 50 GLN HB2 . . 3.980 2.694 2.087 3.609 . 0 0 "[ . 1 . 2 .]" 1
576 1 50 GLN H 1 50 GLN QG . . 4.940 3.244 1.503 4.021 . 0 0 "[ . 1 . 2 .]" 1
577 1 50 GLN H 1 50 GLN HE21 . . 5.500 4.626 3.582 5.542 0.042 1 0 "[ . 1 . 2 .]" 1
578 1 50 GLN H 1 51 ASP H . . 3.740 2.620 2.353 3.497 . 0 0 "[ . 1 . 2 .]" 1
579 1 50 GLN HB2 1 51 ASP H . . 5.150 4.063 3.031 4.590 . 0 0 "[ . 1 . 2 .]" 1
580 1 50 GLN QG 1 51 ASP H . . 5.380 4.170 2.878 4.872 . 0 0 "[ . 1 . 2 .]" 1
581 1 50 GLN HE21 1 51 ASP H . . 5.490 4.754 3.814 5.515 0.025 21 0 "[ . 1 . 2 .]" 1
582 1 51 ASP H 1 51 ASP HB2 . . 3.770 2.447 2.128 3.008 . 0 0 "[ . 1 . 2 .]" 1
583 1 51 ASP H 1 52 SER H . . 5.140 4.418 4.140 4.614 . 0 0 "[ . 1 . 2 .]" 1
584 1 51 ASP HA 1 52 SER H . . 3.490 2.674 2.339 2.974 . 0 0 "[ . 1 . 2 .]" 1
585 1 51 ASP HB2 1 52 SER H . . 4.490 3.698 3.358 4.166 . 0 0 "[ . 1 . 2 .]" 1
586 1 51 ASP HB3 1 52 SER H . . 3.880 2.606 1.869 3.369 . 0 0 "[ . 1 . 2 .]" 1
587 1 52 SER H 1 52 SER HB2 . . 3.860 2.840 2.585 3.109 . 0 0 "[ . 1 . 2 .]" 1
588 1 52 SER HA 1 52 SER HB3 . . 3.000 2.318 2.242 2.413 . 0 0 "[ . 1 . 2 .]" 1
589 1 52 SER HA 1 53 PRO HD2 . . 3.070 2.787 2.548 2.975 . 0 0 "[ . 1 . 2 .]" 1
590 1 52 SER HA 1 53 PRO HD3 . . 2.960 1.838 1.678 2.246 . 0 0 "[ . 1 . 2 .]" 1
591 1 52 SER HB2 1 53 PRO HD3 . . 4.450 4.230 3.951 4.484 0.034 13 0 "[ . 1 . 2 .]" 1
592 1 52 SER HB3 1 53 PRO HD2 . . 3.430 2.875 2.129 3.351 . 0 0 "[ . 1 . 2 .]" 1
593 1 52 SER HB3 1 53 PRO HD3 . . 3.250 3.290 3.013 3.389 0.139 20 0 "[ . 1 . 2 .]" 1
594 1 54 PRO HA 1 55 SER HB3 . . 5.640 5.740 5.584 5.918 0.278 8 0 "[ . 1 . 2 .]" 1
595 1 54 PRO HA 1 93 ALA H . . 5.500 4.254 3.258 5.496 . 0 0 "[ . 1 . 2 .]" 1
596 1 54 PRO HB2 1 82 VAL MG2 . . 4.830 3.491 2.538 4.262 . 0 0 "[ . 1 . 2 .]" 1
597 1 54 PRO HB2 1 93 ALA H . . 4.610 3.036 2.649 3.712 . 0 0 "[ . 1 . 2 .]" 1
598 1 54 PRO HB2 1 93 ALA HA . . 4.600 4.408 3.876 4.649 0.049 25 0 "[ . 1 . 2 .]" 1
599 1 54 PRO HB2 1 93 ALA MB . . 4.570 2.192 1.605 3.071 . 0 0 "[ . 1 . 2 .]" 1
600 1 54 PRO HB3 1 82 VAL MG2 . . 5.620 4.724 3.590 5.570 . 0 0 "[ . 1 . 2 .]" 1
601 1 54 PRO HB3 1 93 ALA H . . 4.140 3.023 2.233 3.628 . 0 0 "[ . 1 . 2 .]" 1
602 1 54 PRO HB3 1 93 ALA MB . . 4.890 3.214 2.356 3.853 . 0 0 "[ . 1 . 2 .]" 1
603 1 54 PRO HG2 1 82 VAL MG2 . . 5.040 3.898 3.060 4.767 . 0 0 "[ . 1 . 2 .]" 1
604 1 54 PRO HG2 1 91 ARG HG3 . . 3.810 3.361 1.717 3.885 0.075 16 0 "[ . 1 . 2 .]" 1
605 1 54 PRO HG2 1 93 ALA MB . . 5.360 3.957 3.165 4.727 . 0 0 "[ . 1 . 2 .]" 1
606 1 54 PRO HG3 1 82 VAL MG2 . . 5.020 4.575 3.443 5.058 0.038 6 0 "[ . 1 . 2 .]" 1
607 1 54 PRO HG3 1 91 ARG HG3 . . 4.050 3.337 1.918 4.084 0.034 11 0 "[ . 1 . 2 .]" 1
608 1 54 PRO HG3 1 93 ALA MB . . 5.500 4.393 3.591 5.315 . 0 0 "[ . 1 . 2 .]" 1
609 1 55 SER H 1 55 SER HB2 . . 4.120 2.857 2.071 3.283 . 0 0 "[ . 1 . 2 .]" 1
610 1 55 SER H 1 55 SER HB3 . . 4.140 3.479 3.195 3.866 . 0 0 "[ . 1 . 2 .]" 1
611 1 55 SER H 1 56 ILE H . . 5.500 4.540 4.326 4.626 . 0 0 "[ . 1 . 2 .]" 1
612 1 55 SER H 1 58 THR H . . 5.500 4.282 3.736 4.999 . 0 0 "[ . 1 . 2 .]" 1
613 1 55 SER H 1 59 ALA H . . 5.400 4.235 3.182 4.984 . 0 0 "[ . 1 . 2 .]" 1
614 1 55 SER H 1 93 ALA MB . . 6.460 4.171 2.839 4.795 . 0 0 "[ . 1 . 2 .]" 1
615 1 55 SER HA 1 56 ILE HA . . 4.840 4.314 4.279 4.346 . 0 0 "[ . 1 . 2 .]" 1
616 1 55 SER HA 1 56 ILE MD . . 5.470 4.198 3.275 5.338 . 0 0 "[ . 1 . 2 .]" 1
617 1 55 SER HA 1 58 THR H . . 5.050 4.511 4.374 4.742 . 0 0 "[ . 1 . 2 .]" 1
618 1 55 SER HA 1 59 ALA H . . 5.500 5.097 4.914 5.310 . 0 0 "[ . 1 . 2 .]" 1
619 1 55 SER HB2 1 58 THR H . . 4.230 2.547 2.178 3.463 . 0 0 "[ . 1 . 2 .]" 1
620 1 55 SER HB2 1 58 THR HA . . 5.000 4.480 4.224 5.080 0.080 9 0 "[ . 1 . 2 .]" 1
621 1 55 SER HB2 1 58 THR HB . . 3.900 2.805 2.475 3.654 . 0 0 "[ . 1 . 2 .]" 1
622 1 55 SER HB2 1 58 THR MG . . 5.750 3.935 3.568 4.374 . 0 0 "[ . 1 . 2 .]" 1
623 1 55 SER HB3 1 58 THR HB . . 4.120 4.192 4.113 4.254 0.134 18 0 "[ . 1 . 2 .]" 1
624 1 56 ILE H 1 56 ILE HB . . 3.910 2.381 2.134 2.669 . 0 0 "[ . 1 . 2 .]" 1
625 1 56 ILE H 1 56 ILE HG13 . . 4.440 2.916 1.951 4.184 . 0 0 "[ . 1 . 2 .]" 1
626 1 56 ILE H 1 56 ILE MD . . 5.640 2.799 1.849 3.765 . 0 0 "[ . 1 . 2 .]" 1
627 1 56 ILE H 1 57 PRO HG2 . . 5.500 4.398 4.240 4.854 . 0 0 "[ . 1 . 2 .]" 1
628 1 56 ILE H 1 57 PRO HD2 . . 4.030 2.198 2.038 2.786 . 0 0 "[ . 1 . 2 .]" 1
629 1 56 ILE H 1 57 PRO HD3 . . 4.160 3.206 2.678 3.343 . 0 0 "[ . 1 . 2 .]" 1
630 1 56 ILE H 1 58 THR H . . 5.500 4.009 3.840 4.218 . 0 0 "[ . 1 . 2 .]" 1
631 1 56 ILE H 1 59 ALA H . . 5.500 4.780 4.634 4.917 . 0 0 "[ . 1 . 2 .]" 1
632 1 56 ILE H 1 93 ALA MB . . 6.560 4.442 3.611 5.012 . 0 0 "[ . 1 . 2 .]" 1
633 1 56 ILE HA 1 56 ILE HG12 . . 4.030 3.071 2.370 3.529 . 0 0 "[ . 1 . 2 .]" 1
634 1 56 ILE HA 1 56 ILE HG13 . . 3.740 2.437 1.986 3.000 . 0 0 "[ . 1 . 2 .]" 1
635 1 56 ILE HA 1 59 ALA H . . 4.420 3.524 3.282 3.744 . 0 0 "[ . 1 . 2 .]" 1
636 1 56 ILE HA 1 93 ALA MB . . 4.880 3.375 2.641 4.017 . 0 0 "[ . 1 . 2 .]" 1
637 1 56 ILE HB 1 57 PRO HD2 . . 3.330 2.831 2.623 3.215 . 0 0 "[ . 1 . 2 .]" 1
638 1 56 ILE HB 1 57 PRO HD3 . . 4.320 2.298 1.681 2.916 . 0 0 "[ . 1 . 2 .]" 1
639 1 56 ILE MG 1 57 PRO HA . . 5.390 3.291 2.914 3.691 . 0 0 "[ . 1 . 2 .]" 1
640 1 56 ILE MG 1 57 PRO HD2 . . 4.970 3.698 3.235 4.167 . 0 0 "[ . 1 . 2 .]" 1
641 1 56 ILE MG 1 57 PRO HD3 . . 5.370 2.802 2.114 3.347 . 0 0 "[ . 1 . 2 .]" 1
642 1 56 ILE MG 1 59 ALA H . . 6.600 4.795 4.488 5.031 . 0 0 "[ . 1 . 2 .]" 1
643 1 56 ILE MG 1 60 ARG H . . 6.130 3.978 3.830 4.104 . 0 0 "[ . 1 . 2 .]" 1
644 1 56 ILE MG 1 60 ARG HB2 . . 5.600 3.793 3.458 4.089 . 0 0 "[ . 1 . 2 .]" 1
645 1 56 ILE MG 1 60 ARG HB3 . . 6.100 4.843 4.655 5.060 . 0 0 "[ . 1 . 2 .]" 1
646 1 56 ILE MG 1 60 ARG HG3 . . 5.230 2.798 2.227 3.489 . 0 0 "[ . 1 . 2 .]" 1
647 1 56 ILE MG 1 60 ARG HD2 . . 5.020 3.443 1.594 4.741 . 0 0 "[ . 1 . 2 .]" 1
648 1 56 ILE MG 1 60 ARG HD3 . . 4.990 3.579 2.010 4.676 . 0 0 "[ . 1 . 2 .]" 1
649 1 56 ILE MG 1 80 CYS HB2 . . 5.280 3.572 2.879 4.642 . 0 0 "[ . 1 . 2 .]" 1
650 1 56 ILE MG 1 80 CYS HB3 . . 5.510 3.254 1.946 4.623 . 0 0 "[ . 1 . 2 .]" 1
651 1 56 ILE HG12 1 80 CYS HB2 . . 4.720 4.132 3.126 4.746 0.026 24 0 "[ . 1 . 2 .]" 1
652 1 56 ILE HG13 1 82 VAL MG1 . . 6.100 4.657 3.659 6.057 . 0 0 "[ . 1 . 2 .]" 1
653 1 56 ILE HG13 1 93 ALA MB . . 6.390 3.843 2.774 4.684 . 0 0 "[ . 1 . 2 .]" 1
654 1 56 ILE MD 1 80 CYS HB2 . . 5.900 4.797 3.844 5.607 . 0 0 "[ . 1 . 2 .]" 1
655 1 56 ILE MD 1 80 CYS HB3 . . 5.170 4.135 3.069 4.992 . 0 0 "[ . 1 . 2 .]" 1
656 1 56 ILE MD 1 82 VAL HB . . 5.600 4.083 2.439 5.642 0.042 9 0 "[ . 1 . 2 .]" 1
657 1 56 ILE MD 1 82 VAL MG1 . . 5.250 3.631 2.314 5.104 . 0 0 "[ . 1 . 2 .]" 1
658 1 56 ILE MD 1 93 ALA MB . . 5.920 4.094 2.114 5.524 . 0 0 "[ . 1 . 2 .]" 1
659 1 57 PRO HA 1 60 ARG H . . 4.700 3.426 3.265 3.579 . 0 0 "[ . 1 . 2 .]" 1
660 1 57 PRO HA 1 60 ARG HB2 . . 4.120 2.151 1.894 2.452 . 0 0 "[ . 1 . 2 .]" 1
661 1 57 PRO HA 1 60 ARG HB3 . . 4.260 3.539 3.194 3.861 . 0 0 "[ . 1 . 2 .]" 1
662 1 57 PRO HA 1 60 ARG HD2 . . 4.490 3.673 2.594 4.571 0.081 9 0 "[ . 1 . 2 .]" 1
663 1 57 PRO HA 1 60 ARG HD3 . . 5.000 3.915 1.937 5.047 0.047 17 0 "[ . 1 . 2 .]" 1
664 1 57 PRO HB2 1 58 THR H . . 4.250 3.332 2.982 3.550 . 0 0 "[ . 1 . 2 .]" 1
665 1 57 PRO HB2 1 58 THR HA . . 4.360 4.112 4.004 4.200 . 0 0 "[ . 1 . 2 .]" 1
666 1 57 PRO HB3 1 58 THR H . . 4.560 4.191 4.071 4.284 . 0 0 "[ . 1 . 2 .]" 1
667 1 57 PRO HG2 1 58 THR H . . 5.390 2.670 2.351 4.269 . 0 0 "[ . 1 . 2 .]" 1
668 1 57 PRO HG3 1 58 THR H . . 5.310 4.073 3.885 4.647 . 0 0 "[ . 1 . 2 .]" 1
669 1 57 PRO HD3 1 58 THR H . . 3.850 3.922 3.827 3.955 0.105 24 0 "[ . 1 . 2 .]" 1
670 1 58 THR H 1 58 THR HB . . 3.730 2.554 2.350 2.838 . 0 0 "[ . 1 . 2 .]" 1
671 1 58 THR H 1 60 ARG H . . 5.360 3.772 3.594 3.960 . 0 0 "[ . 1 . 2 .]" 1
672 1 58 THR HA 1 61 LYS H . . 4.290 3.305 3.114 3.548 . 0 0 "[ . 1 . 2 .]" 1
673 1 58 THR HA 1 61 LYS HB2 . . 3.650 3.174 2.762 3.530 . 0 0 "[ . 1 . 2 .]" 1
674 1 58 THR HA 1 61 LYS HB3 . . 3.860 3.000 2.576 3.417 . 0 0 "[ . 1 . 2 .]" 1
675 1 58 THR HB 1 59 ALA H . . 4.030 2.441 2.270 2.595 . 0 0 "[ . 1 . 2 .]" 1
676 1 58 THR HB 1 61 LYS H . . 5.820 5.314 5.121 5.452 . 0 0 "[ . 1 . 2 .]" 1
677 1 58 THR MG 1 59 ALA H . . 5.040 3.449 3.048 3.709 . 0 0 "[ . 1 . 2 .]" 1
678 1 58 THR MG 1 59 ALA HA . . 5.180 3.790 3.400 4.268 . 0 0 "[ . 1 . 2 .]" 1
679 1 58 THR MG 1 62 ARG H . . 5.790 4.114 3.823 4.431 . 0 0 "[ . 1 . 2 .]" 1
680 1 58 THR MG 1 62 ARG HG3 . . 4.890 3.597 2.981 4.649 . 0 0 "[ . 1 . 2 .]" 1
681 1 58 THR MG 1 62 ARG HD2 . . 4.880 3.629 2.213 4.964 0.084 14 0 "[ . 1 . 2 .]" 1
682 1 59 ALA H 1 60 ARG H . . 3.960 2.639 2.543 2.753 . 0 0 "[ . 1 . 2 .]" 1
683 1 59 ALA H 1 60 ARG HG3 . . 5.370 5.175 4.789 5.413 0.043 1 0 "[ . 1 . 2 .]" 1
684 1 59 ALA H 1 93 ALA MB . . 5.930 4.010 3.517 4.765 . 0 0 "[ . 1 . 2 .]" 1
685 1 59 ALA HA 1 62 ARG H . . 4.390 3.347 3.250 3.466 . 0 0 "[ . 1 . 2 .]" 1
686 1 59 ALA HA 1 62 ARG HB2 . . 3.850 2.543 2.340 2.657 . 0 0 "[ . 1 . 2 .]" 1
687 1 59 ALA HA 1 62 ARG HB3 . . 4.180 4.094 3.608 4.215 0.035 8 0 "[ . 1 . 2 .]" 1
688 1 59 ALA HA 1 62 ARG HD2 . . 4.330 3.789 2.941 4.408 0.078 17 0 "[ . 1 . 2 .]" 1
689 1 59 ALA MB 1 60 ARG HA . . 5.350 3.825 3.701 3.917 . 0 0 "[ . 1 . 2 .]" 1
690 1 59 ALA MB 1 62 ARG H . . 6.050 4.578 4.496 4.656 . 0 0 "[ . 1 . 2 .]" 1
691 1 59 ALA MB 1 63 MET H . . 6.600 4.496 4.371 4.618 . 0 0 "[ . 1 . 2 .]" 1
692 1 59 ALA MB 1 93 ALA H . . 6.600 4.396 3.956 4.865 . 0 0 "[ . 1 . 2 .]" 1
693 1 59 ALA MB 1 93 ALA MB . . 5.450 2.360 1.869 3.151 . 0 0 "[ . 1 . 2 .]" 1
694 1 59 ALA MB 1 94 VAL HA . . 5.230 3.441 2.587 3.977 . 0 0 "[ . 1 . 2 .]" 1
695 1 59 ALA MB 1 95 CYS H . . 5.170 2.620 2.273 2.993 . 0 0 "[ . 1 . 2 .]" 1
696 1 59 ALA MB 1 95 CYS HB2 . . 5.540 2.433 1.535 3.052 . 0 0 "[ . 1 . 2 .]" 1
697 1 59 ALA MB 1 95 CYS HB3 . . 5.780 3.751 2.574 4.234 . 0 0 "[ . 1 . 2 .]" 1
698 1 60 ARG H 1 60 ARG HB2 . . 3.720 2.210 2.117 2.406 . 0 0 "[ . 1 . 2 .]" 1
699 1 60 ARG H 1 60 ARG HB3 . . 3.540 3.498 3.426 3.568 0.028 17 0 "[ . 1 . 2 .]" 1
700 1 60 ARG H 1 60 ARG HG3 . . 4.420 2.927 2.698 3.128 . 0 0 "[ . 1 . 2 .]" 1
701 1 60 ARG H 1 60 ARG HD2 . . 5.500 4.613 3.768 5.319 . 0 0 "[ . 1 . 2 .]" 1
702 1 60 ARG H 1 60 ARG HD3 . . 5.280 4.779 3.398 5.359 0.079 22 0 "[ . 1 . 2 .]" 1
703 1 60 ARG H 1 61 LYS H . . 3.640 2.664 2.591 2.746 . 0 0 "[ . 1 . 2 .]" 1
704 1 60 ARG H 1 62 ARG H . . 4.990 4.231 4.090 4.407 . 0 0 "[ . 1 . 2 .]" 1
705 1 60 ARG H 1 63 MET H . . 5.500 4.676 4.593 4.751 . 0 0 "[ . 1 . 2 .]" 1
706 1 60 ARG H 1 63 MET ME . . 6.050 4.945 4.614 5.220 . 0 0 "[ . 1 . 2 .]" 1
707 1 60 ARG HA 1 60 ARG HG2 . . 3.320 2.401 2.125 2.984 . 0 0 "[ . 1 . 2 .]" 1
708 1 60 ARG HA 1 60 ARG HG3 . . 3.870 2.886 2.247 3.537 . 0 0 "[ . 1 . 2 .]" 1
709 1 60 ARG HA 1 60 ARG HD2 . . 4.860 4.275 3.533 4.738 . 0 0 "[ . 1 . 2 .]" 1
710 1 60 ARG HA 1 60 ARG HD3 . . 4.760 4.323 3.913 4.597 . 0 0 "[ . 1 . 2 .]" 1
711 1 60 ARG HA 1 63 MET H . . 4.670 3.452 3.306 3.674 . 0 0 "[ . 1 . 2 .]" 1
712 1 60 ARG HA 1 63 MET HB2 . . 4.620 3.173 2.745 3.621 . 0 0 "[ . 1 . 2 .]" 1
713 1 60 ARG HA 1 63 MET HB3 . . 4.450 2.711 2.471 2.911 . 0 0 "[ . 1 . 2 .]" 1
714 1 60 ARG HA 1 63 MET ME . . 3.390 2.543 2.210 2.856 . 0 0 "[ . 1 . 2 .]" 1
715 1 60 ARG HA 1 95 CYS HB2 . . 4.540 3.320 2.844 4.453 . 0 0 "[ . 1 . 2 .]" 1
716 1 60 ARG HA 1 95 CYS HB3 . . 4.280 3.382 2.994 3.867 . 0 0 "[ . 1 . 2 .]" 1
717 1 60 ARG HB2 1 60 ARG HD3 . . 3.910 3.250 1.934 4.021 0.111 17 0 "[ . 1 . 2 .]" 1
718 1 60 ARG HB2 1 61 LYS H . . 3.840 2.875 2.637 3.050 . 0 0 "[ . 1 . 2 .]" 1
719 1 60 ARG HB3 1 60 ARG HD2 . . 3.900 2.801 1.922 3.958 0.058 25 0 "[ . 1 . 2 .]" 1
720 1 60 ARG HB3 1 61 LYS H . . 4.300 3.386 3.047 3.648 . 0 0 "[ . 1 . 2 .]" 1
721 1 60 ARG HG2 1 61 LYS H . . 5.240 5.033 4.721 5.246 0.006 15 0 "[ . 1 . 2 .]" 1
722 1 60 ARG HG2 1 63 MET ME . . 3.550 2.771 2.257 3.570 0.020 17 0 "[ . 1 . 2 .]" 1
723 1 61 LYS H 1 61 LYS HB2 . . 3.300 2.443 2.203 2.637 . 0 0 "[ . 1 . 2 .]" 1
724 1 61 LYS H 1 61 LYS HB3 . . 3.670 2.643 2.442 2.907 . 0 0 "[ . 1 . 2 .]" 1
725 1 61 LYS H 1 61 LYS HG2 . . 4.890 4.618 4.549 4.659 . 0 0 "[ . 1 . 2 .]" 1
726 1 61 LYS H 1 61 LYS HG3 . . 4.410 4.438 4.396 4.483 0.073 8 0 "[ . 1 . 2 .]" 1
727 1 61 LYS H 1 62 ARG H . . 4.000 2.630 2.538 2.701 . 0 0 "[ . 1 . 2 .]" 1
728 1 61 LYS H 1 63 MET H . . 4.720 3.989 3.841 4.113 . 0 0 "[ . 1 . 2 .]" 1
729 1 61 LYS H 1 64 GLN HB2 . . 6.220 4.959 4.540 5.476 . 0 0 "[ . 1 . 2 .]" 1
730 1 61 LYS HA 1 61 LYS HG2 . . 4.230 3.730 3.626 3.828 . 0 0 "[ . 1 . 2 .]" 1
731 1 61 LYS HA 1 61 LYS HG3 . . 3.930 2.683 2.390 2.970 . 0 0 "[ . 1 . 2 .]" 1
732 1 61 LYS HA 1 64 GLN H . . 4.120 3.236 3.000 3.401 . 0 0 "[ . 1 . 2 .]" 1
733 1 61 LYS HA 1 65 ILE H . . 5.490 4.058 3.870 4.194 . 0 0 "[ . 1 . 2 .]" 1
734 1 61 LYS HA 1 65 ILE HG13 . . 4.550 4.138 3.795 4.447 . 0 0 "[ . 1 . 2 .]" 1
735 1 61 LYS HB2 1 62 ARG H . . 4.350 3.731 3.439 3.898 . 0 0 "[ . 1 . 2 .]" 1
736 1 61 LYS HB3 1 62 ARG H . . 4.170 2.515 2.381 2.678 . 0 0 "[ . 1 . 2 .]" 1
737 1 61 LYS HB3 1 65 ILE MD . . 5.500 3.862 3.349 4.428 . 0 0 "[ . 1 . 2 .]" 1
738 1 61 LYS HG2 1 65 ILE MD . . 5.370 3.205 2.635 3.717 . 0 0 "[ . 1 . 2 .]" 1
739 1 61 LYS HG3 1 62 ARG H . . 5.200 4.027 3.730 4.370 . 0 0 "[ . 1 . 2 .]" 1
740 1 61 LYS HG3 1 65 ILE HG13 . . 2.990 3.000 2.818 3.042 0.052 5 0 "[ . 1 . 2 .]" 1
741 1 61 LYS HG3 1 65 ILE MD . . 5.040 2.442 1.954 3.036 . 0 0 "[ . 1 . 2 .]" 1
742 1 61 LYS HE2 1 65 ILE HG13 . . 4.100 3.302 2.157 4.160 0.060 6 0 "[ . 1 . 2 .]" 1
743 1 61 LYS HE2 1 65 ILE MD . . 5.600 3.414 2.394 4.351 . 0 0 "[ . 1 . 2 .]" 1
744 1 61 LYS HE3 1 64 GLN HG3 . . 4.170 4.219 4.093 4.379 0.209 16 0 "[ . 1 . 2 .]" 1
745 1 62 ARG H 1 62 ARG HG2 . . 4.060 3.923 3.405 4.215 0.155 8 0 "[ . 1 . 2 .]" 1
746 1 62 ARG H 1 62 ARG HG3 . . 3.400 2.859 2.397 3.410 0.010 14 0 "[ . 1 . 2 .]" 1
747 1 62 ARG H 1 62 ARG HD2 . . 4.670 4.371 3.450 4.805 0.135 14 0 "[ . 1 . 2 .]" 1
748 1 62 ARG H 1 63 MET H . . 4.120 2.679 2.604 2.774 . 0 0 "[ . 1 . 2 .]" 1
749 1 62 ARG H 1 65 ILE MD . . 5.850 4.126 3.665 4.604 . 0 0 "[ . 1 . 2 .]" 1
750 1 62 ARG HA 1 62 ARG HG2 . . 3.590 2.503 2.068 3.142 . 0 0 "[ . 1 . 2 .]" 1
751 1 62 ARG HA 1 62 ARG HG3 . . 3.180 2.721 2.136 3.139 . 0 0 "[ . 1 . 2 .]" 1
752 1 62 ARG HA 1 62 ARG HD3 . . 4.460 4.306 3.947 4.493 0.033 25 0 "[ . 1 . 2 .]" 1
753 1 62 ARG HA 1 64 GLN H . . 5.220 4.341 4.248 4.540 . 0 0 "[ . 1 . 2 .]" 1
754 1 62 ARG HA 1 65 ILE H . . 4.050 3.511 3.309 3.762 . 0 0 "[ . 1 . 2 .]" 1
755 1 62 ARG HA 1 65 ILE HB . . 3.870 3.100 2.652 3.598 . 0 0 "[ . 1 . 2 .]" 1
756 1 62 ARG HA 1 65 ILE MG . . 5.380 4.450 3.928 4.934 . 0 0 "[ . 1 . 2 .]" 1
757 1 62 ARG HA 1 65 ILE MD . . 4.810 2.451 2.001 2.931 . 0 0 "[ . 1 . 2 .]" 1
758 1 62 ARG HB2 1 63 MET H . . 4.970 2.762 2.507 2.949 . 0 0 "[ . 1 . 2 .]" 1
759 1 62 ARG HB3 1 62 ARG HD3 . . 3.690 2.703 2.104 3.134 . 0 0 "[ . 1 . 2 .]" 1
760 1 62 ARG HB3 1 63 MET H . . 4.260 3.288 2.977 3.533 . 0 0 "[ . 1 . 2 .]" 1
761 1 62 ARG HG2 1 65 ILE MD . . 6.000 3.754 3.054 4.950 . 0 0 "[ . 1 . 2 .]" 1
762 1 62 ARG HG3 1 65 ILE MD . . 5.790 3.901 3.240 4.978 . 0 0 "[ . 1 . 2 .]" 1
763 1 63 MET H 1 63 MET HG3 . . 5.000 4.362 4.152 4.491 . 0 0 "[ . 1 . 2 .]" 1
764 1 63 MET HA 1 63 MET HG2 . . 3.560 2.780 2.633 2.931 . 0 0 "[ . 1 . 2 .]" 1
765 1 63 MET HA 1 66 ASN H . . 4.120 3.492 3.387 3.602 . 0 0 "[ . 1 . 2 .]" 1
766 1 63 MET HA 1 66 ASN HB2 . . 4.000 2.387 2.223 2.580 . 0 0 "[ . 1 . 2 .]" 1
767 1 63 MET HA 1 66 ASN HB3 . . 4.500 3.794 3.543 4.003 . 0 0 "[ . 1 . 2 .]" 1
768 1 63 MET HA 1 66 ASN HD21 . . 4.490 3.038 2.844 3.348 . 0 0 "[ . 1 . 2 .]" 1
769 1 63 MET HA 1 66 ASN HD22 . . 4.510 4.522 4.397 4.557 0.047 22 0 "[ . 1 . 2 .]" 1
770 1 63 MET HA 1 67 ALA H . . 5.280 4.085 3.851 4.449 . 0 0 "[ . 1 . 2 .]" 1
771 1 63 MET HB3 1 63 MET ME . . 3.190 1.719 1.433 2.001 . 0 0 "[ . 1 . 2 .]" 1
772 1 63 MET ME 1 63 MET HG2 . . 3.130 2.616 2.490 2.816 . 0 0 "[ . 1 . 2 .]" 1
773 1 63 MET HG2 1 75 VAL MG1 . . 4.870 2.401 2.001 3.017 . 0 0 "[ . 1 . 2 .]" 1
774 1 63 MET HG2 1 96 ILE HA . . 5.700 5.119 4.895 5.524 . 0 0 "[ . 1 . 2 .]" 1
775 1 63 MET HG2 1 97 GLY H . . 5.250 4.356 3.986 4.803 . 0 0 "[ . 1 . 2 .]" 1
776 1 63 MET HG3 1 64 GLN H . . 5.000 4.993 4.920 5.050 0.050 22 0 "[ . 1 . 2 .]" 1
777 1 63 MET ME 1 64 GLN H . . 4.970 3.291 2.882 3.775 . 0 0 "[ . 1 . 2 .]" 1
778 1 63 MET ME 1 75 VAL HB . . 5.100 2.315 1.851 3.708 . 0 0 "[ . 1 . 2 .]" 1
779 1 63 MET ME 1 75 VAL MG1 . . 4.600 2.242 1.763 2.517 . 0 0 "[ . 1 . 2 .]" 1
780 1 63 MET ME 1 75 VAL MG2 . . 5.600 2.622 2.150 3.350 . 0 0 "[ . 1 . 2 .]" 1
781 1 63 MET ME 1 95 CYS HA . . 6.040 5.398 4.973 5.838 . 0 0 "[ . 1 . 2 .]" 1
782 1 63 MET ME 1 95 CYS HB2 . . 4.690 4.091 3.496 4.608 . 0 0 "[ . 1 . 2 .]" 1
783 1 63 MET ME 1 95 CYS HB3 . . 3.870 3.269 2.770 3.760 . 0 0 "[ . 1 . 2 .]" 1
784 1 64 GLN H 1 64 GLN HB2 . . 4.060 2.325 2.048 2.608 . 0 0 "[ . 1 . 2 .]" 1
785 1 64 GLN H 1 64 GLN HB3 . . 3.620 2.753 2.425 3.315 . 0 0 "[ . 1 . 2 .]" 1
786 1 64 GLN H 1 64 GLN HG2 . . 4.500 4.418 4.286 4.542 0.042 1 0 "[ . 1 . 2 .]" 1
787 1 64 GLN H 1 64 GLN HG3 . . 4.800 4.254 3.405 4.606 . 0 0 "[ . 1 . 2 .]" 1
788 1 64 GLN H 1 65 ILE H . . 4.160 2.758 2.671 2.906 . 0 0 "[ . 1 . 2 .]" 1
789 1 64 GLN H 1 65 ILE MD . . 6.540 4.947 4.652 5.314 . 0 0 "[ . 1 . 2 .]" 1
790 1 64 GLN H 1 66 ASN H . . 4.800 4.037 3.953 4.120 . 0 0 "[ . 1 . 2 .]" 1
791 1 64 GLN H 1 67 ALA MB . . 6.530 4.706 4.566 4.869 . 0 0 "[ . 1 . 2 .]" 1
792 1 64 GLN HA 1 64 GLN HG2 . . 3.980 2.554 2.290 2.839 . 0 0 "[ . 1 . 2 .]" 1
793 1 64 GLN HA 1 64 GLN HG3 . . 3.810 2.898 2.205 3.380 . 0 0 "[ . 1 . 2 .]" 1
794 1 64 GLN HA 1 67 ALA H . . 4.190 3.532 3.354 3.724 . 0 0 "[ . 1 . 2 .]" 1
795 1 64 GLN HA 1 67 ALA MB . . 4.650 2.765 2.618 3.080 . 0 0 "[ . 1 . 2 .]" 1
796 1 64 GLN HA 1 75 VAL MG2 . . 4.990 2.441 1.743 2.902 . 0 0 "[ . 1 . 2 .]" 1
797 1 64 GLN HB2 1 65 ILE H . . 4.500 3.579 2.854 3.874 . 0 0 "[ . 1 . 2 .]" 1
798 1 64 GLN HB3 1 65 ILE H . . 4.290 2.483 2.155 2.772 . 0 0 "[ . 1 . 2 .]" 1
799 1 64 GLN HB3 1 65 ILE HA . . 4.820 4.094 3.771 4.350 . 0 0 "[ . 1 . 2 .]" 1
800 1 64 GLN HB3 1 67 ALA H . . 5.500 5.428 5.188 5.526 0.026 25 0 "[ . 1 . 2 .]" 1
801 1 64 GLN HG3 1 75 VAL MG2 . . 5.620 3.227 2.234 3.987 . 0 0 "[ . 1 . 2 .]" 1
802 1 65 ILE H 1 65 ILE HB . . 3.590 2.604 2.363 2.731 . 0 0 "[ . 1 . 2 .]" 1
803 1 65 ILE H 1 65 ILE HG12 . . 4.290 3.476 3.256 3.819 . 0 0 "[ . 1 . 2 .]" 1
804 1 65 ILE H 1 65 ILE HG13 . . 3.820 2.014 1.802 2.443 . 0 0 "[ . 1 . 2 .]" 1
805 1 65 ILE H 1 65 ILE MD . . 5.280 3.274 3.124 3.511 . 0 0 "[ . 1 . 2 .]" 1
806 1 65 ILE H 1 66 ASN H . . 4.130 2.619 2.550 2.682 . 0 0 "[ . 1 . 2 .]" 1
807 1 65 ILE HA 1 65 ILE HG12 . . 3.610 2.771 2.636 2.909 . 0 0 "[ . 1 . 2 .]" 1
808 1 65 ILE HA 1 65 ILE HG13 . . 3.730 2.881 2.640 3.030 . 0 0 "[ . 1 . 2 .]" 1
809 1 65 ILE HA 1 67 ALA MB . . 6.280 4.853 4.676 5.045 . 0 0 "[ . 1 . 2 .]" 1
810 1 65 ILE HA 1 68 SER H . . 4.440 3.273 3.059 3.557 . 0 0 "[ . 1 . 2 .]" 1
811 1 65 ILE HA 1 68 SER HB2 . . 4.200 3.645 2.439 4.234 0.034 15 0 "[ . 1 . 2 .]" 1
812 1 65 ILE HA 1 68 SER HB3 . . 3.940 3.922 2.583 4.058 0.118 12 0 "[ . 1 . 2 .]" 1
813 1 65 ILE HB 1 66 ASN H . . 3.860 2.682 2.542 2.862 . 0 0 "[ . 1 . 2 .]" 1
814 1 65 ILE MG 1 66 ASN H . . 5.140 3.615 3.259 3.845 . 0 0 "[ . 1 . 2 .]" 1
815 1 65 ILE MG 1 66 ASN HA . . 4.960 3.736 3.324 3.935 . 0 0 "[ . 1 . 2 .]" 1
816 1 65 ILE MG 1 68 SER HB3 . . 5.670 4.900 4.150 5.386 . 0 0 "[ . 1 . 2 .]" 1
817 1 65 ILE MG 1 69 LYS H . . 6.540 3.915 3.706 4.146 . 0 0 "[ . 1 . 2 .]" 1
818 1 65 ILE MG 1 69 LYS HB3 . . 5.570 3.431 3.114 3.866 . 0 0 "[ . 1 . 2 .]" 1
819 1 65 ILE HG12 1 66 ASN H . . 5.500 5.059 4.972 5.131 . 0 0 "[ . 1 . 2 .]" 1
820 1 65 ILE HG13 1 66 ASN H . . 4.880 4.157 3.974 4.463 . 0 0 "[ . 1 . 2 .]" 1
821 1 66 ASN H 1 66 ASN HB2 . . 3.890 2.172 2.116 2.253 . 0 0 "[ . 1 . 2 .]" 1
822 1 66 ASN H 1 66 ASN HB3 . . 3.850 3.478 3.425 3.540 . 0 0 "[ . 1 . 2 .]" 1
823 1 66 ASN H 1 66 ASN HD21 . . 5.500 3.818 2.730 4.541 . 0 0 "[ . 1 . 2 .]" 1
824 1 66 ASN H 1 69 LYS H . . 5.500 4.802 4.688 4.925 . 0 0 "[ . 1 . 2 .]" 1
825 1 66 ASN HA 1 68 SER H . . 5.500 4.489 4.266 4.639 . 0 0 "[ . 1 . 2 .]" 1
826 1 66 ASN HA 1 69 LYS H . . 4.200 3.642 3.481 3.803 . 0 0 "[ . 1 . 2 .]" 1
827 1 66 ASN HA 1 69 LYS HB3 . . 4.500 3.767 2.874 4.526 0.026 12 0 "[ . 1 . 2 .]" 1
828 1 66 ASN HA 1 69 LYS HG2 . . 3.600 2.345 1.894 3.633 0.033 5 0 "[ . 1 . 2 .]" 1
829 1 66 ASN HA 1 69 LYS HG3 . . 4.660 3.365 2.592 4.667 0.007 5 0 "[ . 1 . 2 .]" 1
830 1 66 ASN HB2 1 66 ASN HD22 . . 4.060 3.516 3.437 3.647 . 0 0 "[ . 1 . 2 .]" 1
831 1 66 ASN HB2 1 67 ALA H . . 4.510 2.852 2.704 3.003 . 0 0 "[ . 1 . 2 .]" 1
832 1 66 ASN HB2 1 67 ALA HA . . 4.730 4.794 4.740 4.836 0.106 10 0 "[ . 1 . 2 .]" 1
833 1 66 ASN HB3 1 66 ASN HD22 . . 3.960 3.780 3.567 4.024 0.064 5 0 "[ . 1 . 2 .]" 1
834 1 66 ASN HB3 1 67 ALA H . . 4.250 3.231 2.944 3.660 . 0 0 "[ . 1 . 2 .]" 1
835 1 67 ALA H 1 68 SER H . . 3.840 2.642 2.508 2.775 . 0 0 "[ . 1 . 2 .]" 1
836 1 67 ALA H 1 69 LYS H . . 5.230 4.139 3.990 4.284 . 0 0 "[ . 1 . 2 .]" 1
837 1 67 ALA H 1 69 LYS HG2 . . 5.500 5.069 4.476 5.524 0.024 7 0 "[ . 1 . 2 .]" 1
838 1 67 ALA H 1 70 MET H . . 5.500 4.840 4.738 4.988 . 0 0 "[ . 1 . 2 .]" 1
839 1 67 ALA H 1 75 VAL MG2 . . 5.970 4.468 4.067 5.151 . 0 0 "[ . 1 . 2 .]" 1
840 1 67 ALA HA 1 70 MET H . . 4.340 3.476 3.356 3.602 . 0 0 "[ . 1 . 2 .]" 1
841 1 67 ALA HA 1 70 MET HB2 . . 3.950 2.547 2.172 3.021 . 0 0 "[ . 1 . 2 .]" 1
842 1 67 ALA HA 1 70 MET HB3 . . 4.500 4.050 3.560 4.531 0.031 11 0 "[ . 1 . 2 .]" 1
843 1 67 ALA HA 1 70 MET HG3 . . 4.010 3.644 2.471 4.045 0.035 25 0 "[ . 1 . 2 .]" 1
844 1 67 ALA HA 1 70 MET ME . . 4.290 3.681 2.744 4.329 0.039 8 0 "[ . 1 . 2 .]" 1
845 1 67 ALA HA 1 72 ALA MB . . 4.920 3.042 2.772 3.349 . 0 0 "[ . 1 . 2 .]" 1
846 1 67 ALA MB 1 68 SER HA . . 5.530 3.714 3.603 3.798 . 0 0 "[ . 1 . 2 .]" 1
847 1 67 ALA MB 1 68 SER HB2 . . 6.030 5.000 3.944 5.318 . 0 0 "[ . 1 . 2 .]" 1
848 1 67 ALA MB 1 68 SER HB3 . . 5.780 4.526 3.895 5.271 . 0 0 "[ . 1 . 2 .]" 1
849 1 67 ALA MB 1 70 MET H . . 6.240 4.413 4.339 4.537 . 0 0 "[ . 1 . 2 .]" 1
850 1 67 ALA MB 1 72 ALA MB . . 5.480 2.299 1.734 2.661 . 0 0 "[ . 1 . 2 .]" 1
851 1 67 ALA MB 1 75 VAL H . . 5.760 4.708 4.324 5.079 . 0 0 "[ . 1 . 2 .]" 1
852 1 67 ALA MB 1 75 VAL HA . . 5.550 3.906 3.621 4.183 . 0 0 "[ . 1 . 2 .]" 1
853 1 67 ALA MB 1 75 VAL HB . . 5.450 4.427 4.197 4.806 . 0 0 "[ . 1 . 2 .]" 1
854 1 67 ALA MB 1 75 VAL MG1 . . 5.940 2.255 1.791 3.715 . 0 0 "[ . 1 . 2 .]" 1
855 1 67 ALA MB 1 75 VAL MG2 . . 5.160 2.561 2.117 3.136 . 0 0 "[ . 1 . 2 .]" 1
856 1 68 SER H 1 68 SER HB2 . . 3.660 3.178 2.080 3.572 . 0 0 "[ . 1 . 2 .]" 1
857 1 68 SER H 1 68 SER HB3 . . 3.680 3.085 2.111 3.592 . 0 0 "[ . 1 . 2 .]" 1
858 1 68 SER H 1 69 LYS H . . 4.080 2.648 2.576 2.742 . 0 0 "[ . 1 . 2 .]" 1
859 1 68 SER H 1 70 MET H . . 5.450 3.855 3.679 3.988 . 0 0 "[ . 1 . 2 .]" 1
860 1 68 SER H 1 72 ALA H . . 5.500 4.815 4.531 5.514 0.014 12 0 "[ . 1 . 2 .]" 1
861 1 68 SER HA 1 71 LYS H . . 4.470 3.624 3.386 4.104 . 0 0 "[ . 1 . 2 .]" 1
862 1 68 SER HA 1 72 ALA H . . 4.180 3.141 2.621 4.143 . 0 0 "[ . 1 . 2 .]" 1
863 1 68 SER HA 1 72 ALA MB . . 5.550 3.891 3.460 4.336 . 0 0 "[ . 1 . 2 .]" 1
864 1 68 SER HB2 1 69 LYS H . . 4.360 3.354 2.641 4.185 . 0 0 "[ . 1 . 2 .]" 1
865 1 68 SER HB3 1 69 LYS H . . 4.540 3.986 3.001 4.274 . 0 0 "[ . 1 . 2 .]" 1
866 1 69 LYS H 1 69 LYS HB3 . . 3.530 2.434 2.112 2.752 . 0 0 "[ . 1 . 2 .]" 1
867 1 69 LYS H 1 69 LYS HG2 . . 3.760 2.999 2.434 3.334 . 0 0 "[ . 1 . 2 .]" 1
868 1 69 LYS H 1 69 LYS HG3 . . 4.340 2.994 2.191 4.356 0.016 22 0 "[ . 1 . 2 .]" 1
869 1 69 LYS H 1 69 LYS HE3 . . 5.500 4.868 4.336 5.504 0.004 11 0 "[ . 1 . 2 .]" 1
870 1 69 LYS H 1 70 MET H . . 3.980 2.486 2.401 2.586 . 0 0 "[ . 1 . 2 .]" 1
871 1 69 LYS HA 1 71 LYS H . . 4.340 3.465 3.285 4.442 0.102 25 0 "[ . 1 . 2 .]" 1
872 1 69 LYS HB3 1 70 MET H . . 4.170 4.032 3.530 4.240 0.070 8 0 "[ . 1 . 2 .]" 1
873 1 69 LYS HE3 1 69 LYS HG2 . . 3.500 2.965 1.999 3.523 0.023 16 0 "[ . 1 . 2 .]" 1
874 1 69 LYS HG2 1 70 MET H . . 5.160 3.766 2.584 4.218 . 0 0 "[ . 1 . 2 .]" 1
875 1 69 LYS HE3 1 69 LYS HG3 . . 3.720 2.236 1.956 3.014 . 0 0 "[ . 1 . 2 .]" 1
876 1 69 LYS HG3 1 70 MET H . . 5.320 2.756 2.284 3.997 . 0 0 "[ . 1 . 2 .]" 1
877 1 69 LYS HE3 1 70 MET HB3 . . 5.230 5.033 4.520 5.283 0.053 5 0 "[ . 1 . 2 .]" 1
878 1 70 MET H 1 70 MET HB2 . . 3.800 2.278 2.060 2.649 . 0 0 "[ . 1 . 2 .]" 1
879 1 70 MET H 1 70 MET HG3 . . 3.570 3.289 2.957 3.627 0.057 16 0 "[ . 1 . 2 .]" 1
880 1 70 MET H 1 70 MET ME . . 5.600 4.631 4.213 4.973 . 0 0 "[ . 1 . 2 .]" 1
881 1 70 MET H 1 71 LYS H . . 3.600 2.428 2.281 2.603 . 0 0 "[ . 1 . 2 .]" 1
882 1 70 MET HA 1 70 MET HG2 . . 3.230 2.288 2.101 2.690 . 0 0 "[ . 1 . 2 .]" 1
883 1 70 MET HA 1 70 MET ME . . 5.330 4.046 3.213 4.570 . 0 0 "[ . 1 . 2 .]" 1
884 1 70 MET HB2 1 70 MET ME . . 3.390 2.806 2.237 3.254 . 0 0 "[ . 1 . 2 .]" 1
885 1 70 MET HB2 1 72 ALA H . . 4.630 3.340 3.018 3.540 . 0 0 "[ . 1 . 2 .]" 1
886 1 70 MET HB2 1 72 ALA MB . . 5.180 3.157 2.608 3.901 . 0 0 "[ . 1 . 2 .]" 1
887 1 70 MET HB3 1 70 MET ME . . 3.900 2.179 1.558 2.897 . 0 0 "[ . 1 . 2 .]" 1
888 1 70 MET HB3 1 72 ALA H . . 5.170 3.762 2.673 4.526 . 0 0 "[ . 1 . 2 .]" 1
889 1 70 MET HB3 1 72 ALA MB . . 5.200 3.445 2.964 3.909 . 0 0 "[ . 1 . 2 .]" 1
890 1 70 MET HB3 1 99 ALA MB . . 5.160 3.636 3.020 4.020 . 0 0 "[ . 1 . 2 .]" 1
891 1 70 MET HG3 1 71 LYS H . . 5.620 5.148 4.733 5.486 . 0 0 "[ . 1 . 2 .]" 1
892 1 70 MET HG3 1 72 ALA H . . 5.500 5.480 4.814 5.584 0.084 1 0 "[ . 1 . 2 .]" 1
893 1 70 MET HG3 1 99 ALA MB . . 5.440 4.489 3.273 5.218 . 0 0 "[ . 1 . 2 .]" 1
894 1 70 MET ME 1 72 ALA H . . 5.650 4.832 3.456 5.480 . 0 0 "[ . 1 . 2 .]" 1
895 1 70 MET ME 1 99 ALA H . . 4.550 4.222 3.610 4.579 0.029 20 0 "[ . 1 . 2 .]" 1
896 1 70 MET ME 1 99 ALA MB . . 4.050 2.295 2.063 2.570 . 0 0 "[ . 1 . 2 .]" 1
897 1 71 LYS H 1 72 ALA H . . 3.770 2.495 1.759 2.712 . 0 0 "[ . 1 . 2 .]" 1
898 1 71 LYS QG 1 72 ALA H . . 5.710 4.573 3.318 4.948 . 0 0 "[ . 1 . 2 .]" 1
899 1 72 ALA HA 1 73 ASN H . . 3.290 2.299 2.185 2.502 . 0 0 "[ . 1 . 2 .]" 1
900 1 72 ALA HA 1 74 ALA H . . 5.000 3.859 3.699 4.105 . 0 0 "[ . 1 . 2 .]" 1
901 1 72 ALA HA 1 101 ASN H . . 4.790 4.525 4.165 4.830 0.040 22 0 "[ . 1 . 2 .]" 1
902 1 72 ALA HA 1 101 ASN HA . . 3.980 3.120 2.634 3.473 . 0 0 "[ . 1 . 2 .]" 1
903 1 72 ALA HA 1 101 ASN HB2 . . 4.230 2.735 2.232 2.990 . 0 0 "[ . 1 . 2 .]" 1
904 1 72 ALA HA 1 101 ASN HB3 . . 4.510 4.391 3.950 4.530 0.020 11 0 "[ . 1 . 2 .]" 1
905 1 72 ALA MB 1 74 ALA H . . 4.550 2.690 2.484 2.925 . 0 0 "[ . 1 . 2 .]" 1
906 1 72 ALA MB 1 99 ALA HA . . 4.740 3.017 2.778 3.274 . 0 0 "[ . 1 . 2 .]" 1
907 1 72 ALA MB 1 99 ALA MB . . 4.880 2.097 1.879 2.316 . 0 0 "[ . 1 . 2 .]" 1
908 1 72 ALA MB 1 100 LEU H . . 4.640 2.928 2.658 3.189 . 0 0 "[ . 1 . 2 .]" 1
909 1 72 ALA MB 1 101 ASN HA . . 5.430 3.820 3.331 4.096 . 0 0 "[ . 1 . 2 .]" 1
910 1 72 ALA MB 1 101 ASN HB2 . . 5.370 3.779 3.428 4.027 . 0 0 "[ . 1 . 2 .]" 1
911 1 73 ASN H 1 74 ALA H . . 3.660 2.120 1.806 2.362 . 0 0 "[ . 1 . 2 .]" 1
912 1 73 ASN H 1 101 ASN H . . 4.960 4.592 4.454 4.755 . 0 0 "[ . 1 . 2 .]" 1
913 1 73 ASN H 1 101 ASN HA . . 3.660 2.258 1.975 2.458 . 0 0 "[ . 1 . 2 .]" 1
914 1 73 ASN H 1 101 ASN HB2 . . 5.500 3.731 3.090 4.099 . 0 0 "[ . 1 . 2 .]" 1
915 1 73 ASN H 1 102 ILE H . . 5.060 3.691 3.244 4.405 . 0 0 "[ . 1 . 2 .]" 1
916 1 73 ASN HA 1 73 ASN HD21 . . 4.650 4.330 4.082 4.635 . 0 0 "[ . 1 . 2 .]" 1
917 1 73 ASN HB2 1 74 ALA H . . 5.500 4.481 4.356 4.620 . 0 0 "[ . 1 . 2 .]" 1
918 1 73 ASN HB3 1 102 ILE H . . 5.500 4.464 3.918 4.849 . 0 0 "[ . 1 . 2 .]" 1
919 1 73 ASN HD22 1 101 ASN HA . . 4.490 4.047 2.887 4.542 0.052 7 0 "[ . 1 . 2 .]" 1
920 1 73 ASN HD22 1 102 ILE H . . 4.070 2.688 1.951 3.212 . 0 0 "[ . 1 . 2 .]" 1
921 1 73 ASN HD22 1 102 ILE HB . . 4.190 2.244 1.594 3.756 . 0 0 "[ . 1 . 2 .]" 1
922 1 74 ALA H 1 75 VAL H . . 4.360 4.059 3.709 4.270 . 0 0 "[ . 1 . 2 .]" 1
923 1 74 ALA H 1 99 ALA HA . . 4.500 4.461 4.005 4.569 0.069 8 0 "[ . 1 . 2 .]" 1
924 1 74 ALA H 1 100 LEU H . . 4.980 3.413 3.163 3.624 . 0 0 "[ . 1 . 2 .]" 1
925 1 74 ALA H 1 101 ASN HA . . 4.660 3.757 3.397 4.201 . 0 0 "[ . 1 . 2 .]" 1
926 1 74 ALA HA 1 75 VAL H . . 3.240 2.174 2.142 2.230 . 0 0 "[ . 1 . 2 .]" 1
927 1 74 ALA MB 1 75 VAL H . . 4.310 3.165 2.812 3.499 . 0 0 "[ . 1 . 2 .]" 1
928 1 74 ALA MB 1 100 LEU HB3 . . 5.900 3.494 2.899 4.183 . 0 0 "[ . 1 . 2 .]" 1
929 1 74 ALA MB 1 100 LEU MD2 . . 5.640 3.365 2.543 3.821 . 0 0 "[ . 1 . 2 .]" 1
930 1 74 ALA MB 1 101 ASN HA . . 5.150 3.742 3.272 4.126 . 0 0 "[ . 1 . 2 .]" 1
931 1 74 ALA MB 1 102 ILE H . . 5.260 3.425 2.720 4.428 . 0 0 "[ . 1 . 2 .]" 1
932 1 74 ALA MB 1 102 ILE HB . . 4.900 4.191 2.966 4.910 0.010 16 0 "[ . 1 . 2 .]" 1
933 1 74 ALA MB 1 102 ILE QG . . 5.010 2.176 1.682 2.747 . 0 0 "[ . 1 . 2 .]" 1
934 1 74 ALA MB 1 102 ILE MD . . 5.120 2.204 1.883 2.599 . 0 0 "[ . 1 . 2 .]" 1
935 1 75 VAL H 1 75 VAL HB . . 3.800 3.222 2.521 3.483 . 0 0 "[ . 1 . 2 .]" 1
936 1 75 VAL H 1 75 VAL MG2 . . 4.620 2.008 1.616 2.739 . 0 0 "[ . 1 . 2 .]" 1
937 1 75 VAL H 1 100 LEU MD2 . . 6.520 5.039 4.488 5.589 . 0 0 "[ . 1 . 2 .]" 1
938 1 75 VAL HA 1 76 LEU H . . 3.070 2.124 2.103 2.150 . 0 0 "[ . 1 . 2 .]" 1
939 1 75 VAL HA 1 99 ALA HA . . 3.590 2.811 2.520 3.086 . 0 0 "[ . 1 . 2 .]" 1
940 1 75 VAL HA 1 100 LEU H . . 4.550 3.240 2.700 3.602 . 0 0 "[ . 1 . 2 .]" 1
941 1 75 VAL HA 1 100 LEU MD2 . . 5.350 3.563 3.239 4.018 . 0 0 "[ . 1 . 2 .]" 1
942 1 75 VAL MG1 1 76 LEU H . . 4.490 3.226 2.595 3.552 . 0 0 "[ . 1 . 2 .]" 1
943 1 75 VAL MG1 1 97 GLY HA2 . . 4.620 4.352 3.784 4.638 0.018 23 0 "[ . 1 . 2 .]" 1
944 1 75 VAL MG1 1 97 GLY HA3 . . 5.100 2.994 2.507 3.329 . 0 0 "[ . 1 . 2 .]" 1
945 1 75 VAL MG1 1 98 SER H . . 5.330 4.065 3.660 4.513 . 0 0 "[ . 1 . 2 .]" 1
946 1 75 VAL MG1 1 99 ALA HA . . 5.420 2.848 2.099 4.081 . 0 0 "[ . 1 . 2 .]" 1
947 1 75 VAL MG2 1 99 ALA HA . . 4.610 4.237 2.984 4.639 0.029 13 0 "[ . 1 . 2 .]" 1
948 1 76 LEU H 1 76 LEU HB2 . . 4.100 2.604 2.451 2.772 . 0 0 "[ . 1 . 2 .]" 1
949 1 76 LEU H 1 76 LEU HB3 . . 3.920 2.483 2.418 2.577 . 0 0 "[ . 1 . 2 .]" 1
950 1 76 LEU H 1 76 LEU HG . . 4.490 4.472 4.424 4.524 0.034 14 0 "[ . 1 . 2 .]" 1
951 1 76 LEU H 1 76 LEU MD2 . . 5.330 4.251 4.201 4.353 . 0 0 "[ . 1 . 2 .]" 1
952 1 76 LEU H 1 98 SER H . . 4.460 3.250 2.879 3.558 . 0 0 "[ . 1 . 2 .]" 1
953 1 76 LEU H 1 98 SER HB2 . . 4.540 3.221 2.808 3.490 . 0 0 "[ . 1 . 2 .]" 1
954 1 76 LEU H 1 98 SER HB3 . . 5.480 4.694 4.255 4.933 . 0 0 "[ . 1 . 2 .]" 1
955 1 76 LEU H 1 99 ALA HA . . 5.090 3.908 3.512 4.187 . 0 0 "[ . 1 . 2 .]" 1
956 1 76 LEU H 1 100 LEU MD2 . . 5.890 2.668 2.462 2.893 . 0 0 "[ . 1 . 2 .]" 1
957 1 76 LEU HA 1 76 LEU MD1 . . 4.380 1.969 1.730 2.230 . 0 0 "[ . 1 . 2 .]" 1
958 1 76 LEU HA 1 77 LEU H . . 3.550 2.200 2.147 2.239 . 0 0 "[ . 1 . 2 .]" 1
959 1 76 LEU HA 1 98 SER HB2 . . 5.000 4.940 4.584 5.050 0.050 8 0 "[ . 1 . 2 .]" 1
960 1 76 LEU HB2 1 98 SER H . . 5.100 4.130 4.000 4.297 . 0 0 "[ . 1 . 2 .]" 1
961 1 76 LEU HB2 1 98 SER HB2 . . 4.400 3.145 2.920 3.246 . 0 0 "[ . 1 . 2 .]" 1
962 1 76 LEU HB2 1 98 SER HB3 . . 4.870 4.851 4.540 4.911 0.041 12 0 "[ . 1 . 2 .]" 1
963 1 76 LEU HB2 1 100 LEU HG . . 4.670 4.621 4.361 4.722 0.052 14 0 "[ . 1 . 2 .]" 1
964 1 76 LEU HB2 1 100 LEU MD2 . . 4.880 2.270 2.067 2.388 . 0 0 "[ . 1 . 2 .]" 1
965 1 76 LEU HB3 1 77 LEU H . . 5.300 4.428 4.379 4.457 . 0 0 "[ . 1 . 2 .]" 1
966 1 76 LEU HB3 1 98 SER H . . 4.590 2.475 2.312 2.608 . 0 0 "[ . 1 . 2 .]" 1
967 1 76 LEU HB3 1 98 SER HB2 . . 4.000 2.103 1.822 2.292 . 0 0 "[ . 1 . 2 .]" 1
968 1 76 LEU HB3 1 98 SER HB3 . . 4.320 3.803 3.551 3.937 . 0 0 "[ . 1 . 2 .]" 1
969 1 76 LEU HB3 1 100 LEU MD2 . . 5.160 2.767 2.616 2.937 . 0 0 "[ . 1 . 2 .]" 1
970 1 76 LEU HG 1 78 HIS HE1 . . 3.650 3.525 2.910 3.707 0.057 5 0 "[ . 1 . 2 .]" 1
971 1 76 LEU MD1 1 77 LEU H . . 4.710 3.044 2.739 3.325 . 0 0 "[ . 1 . 2 .]" 1
972 1 76 LEU MD2 1 78 HIS HE1 . . 4.260 2.808 2.117 3.291 . 0 0 "[ . 1 . 2 .]" 1
973 1 76 LEU MD2 1 98 SER H . . 5.820 4.031 3.818 4.255 . 0 0 "[ . 1 . 2 .]" 1
974 1 76 LEU MD2 1 98 SER HB2 . . 5.600 2.978 2.711 3.168 . 0 0 "[ . 1 . 2 .]" 1
975 1 76 LEU MD2 1 98 SER HB3 . . 5.820 4.070 3.846 4.264 . 0 0 "[ . 1 . 2 .]" 1
976 1 76 LEU MD2 1 100 LEU MD2 . . 6.310 2.732 2.230 2.963 . 0 0 "[ . 1 . 2 .]" 1
977 1 77 LEU H 1 77 LEU HB2 . . 3.860 2.339 2.084 2.509 . 0 0 "[ . 1 . 2 .]" 1
978 1 77 LEU H 1 77 LEU HB3 . . 3.820 2.685 2.468 3.025 . 0 0 "[ . 1 . 2 .]" 1
979 1 77 LEU H 1 77 LEU HG . . 4.790 4.476 4.307 4.596 . 0 0 "[ . 1 . 2 .]" 1
980 1 77 LEU H 1 77 LEU MD1 . . 5.430 3.891 3.477 4.337 . 0 0 "[ . 1 . 2 .]" 1
981 1 77 LEU H 1 77 LEU MD2 . . 5.670 4.225 3.775 4.368 . 0 0 "[ . 1 . 2 .]" 1
982 1 77 LEU H 1 78 HIS H . . 5.500 4.533 4.446 4.590 . 0 0 "[ . 1 . 2 .]" 1
983 1 77 LEU HA 1 77 LEU MD1 . . 4.320 2.303 1.539 3.227 . 0 0 "[ . 1 . 2 .]" 1
984 1 77 LEU HA 1 78 HIS H . . 3.240 2.147 2.128 2.174 . 0 0 "[ . 1 . 2 .]" 1
985 1 77 LEU HA 1 97 GLY HA2 . . 3.720 3.117 2.799 3.472 . 0 0 "[ . 1 . 2 .]" 1
986 1 77 LEU HA 1 97 GLY HA3 . . 3.960 2.565 2.308 2.955 . 0 0 "[ . 1 . 2 .]" 1
987 1 77 LEU HB2 1 78 HIS H . . 5.370 4.325 4.210 4.466 . 0 0 "[ . 1 . 2 .]" 1
988 1 77 LEU HG 1 78 HIS H . . 4.570 3.001 2.448 4.575 0.005 15 0 "[ . 1 . 2 .]" 1
989 1 77 LEU MD1 1 78 HIS H . . 4.670 3.161 2.509 4.513 . 0 0 "[ . 1 . 2 .]" 1
990 1 77 LEU MD1 1 95 CYS HA . . 5.270 3.961 3.351 4.952 . 0 0 "[ . 1 . 2 .]" 1
991 1 77 LEU MD1 1 95 CYS HB2 . . 5.480 4.093 3.581 5.348 . 0 0 "[ . 1 . 2 .]" 1
992 1 77 LEU MD1 1 95 CYS HB3 . . 4.620 2.828 2.109 4.361 . 0 0 "[ . 1 . 2 .]" 1
993 1 78 HIS H 1 78 HIS HD2 . . 5.500 3.486 3.037 3.909 . 0 0 "[ . 1 . 2 .]" 1
994 1 78 HIS H 1 79 SER H . . 3.810 2.419 2.007 2.866 . 0 0 "[ . 1 . 2 .]" 1
995 1 78 HIS H 1 96 ILE H . . 5.500 4.342 4.087 4.651 . 0 0 "[ . 1 . 2 .]" 1
996 1 78 HIS H 1 96 ILE HB . . 5.390 4.462 4.193 4.891 . 0 0 "[ . 1 . 2 .]" 1
997 1 78 HIS H 1 96 ILE MG . . 5.600 4.838 4.467 5.242 . 0 0 "[ . 1 . 2 .]" 1
998 1 78 HIS H 1 97 GLY H . . 5.500 4.669 4.521 4.836 . 0 0 "[ . 1 . 2 .]" 1
999 1 78 HIS H 1 97 GLY HA2 . . 4.000 2.764 2.456 3.052 . 0 0 "[ . 1 . 2 .]" 1
1000 1 78 HIS H 1 97 GLY HA3 . . 3.750 3.323 3.000 3.564 . 0 0 "[ . 1 . 2 .]" 1
1001 1 78 HIS H 1 98 SER H . . 5.500 4.611 4.271 4.917 . 0 0 "[ . 1 . 2 .]" 1
1002 1 78 HIS HB2 1 78 HIS HD2 . . 3.510 2.718 2.667 2.832 . 0 0 "[ . 1 . 2 .]" 1
1003 1 78 HIS HB2 1 79 SER H . . 4.100 2.245 1.928 2.606 . 0 0 "[ . 1 . 2 .]" 1
1004 1 78 HIS HB2 1 96 ILE HB . . 4.560 3.313 3.034 3.913 . 0 0 "[ . 1 . 2 .]" 1
1005 1 78 HIS HB2 1 96 ILE MG . . 5.030 3.818 3.190 4.230 . 0 0 "[ . 1 . 2 .]" 1
1006 1 78 HIS HB3 1 79 SER H . . 3.840 3.071 2.418 3.541 . 0 0 "[ . 1 . 2 .]" 1
1007 1 78 HIS HB3 1 96 ILE HB . . 4.890 4.557 3.950 4.909 0.019 15 0 "[ . 1 . 2 .]" 1
1008 1 78 HIS HB3 1 96 ILE MG . . 5.540 4.918 4.178 5.362 . 0 0 "[ . 1 . 2 .]" 1
1009 1 78 HIS HD2 1 96 ILE MG . . 4.510 3.802 2.730 4.486 . 0 0 "[ . 1 . 2 .]" 1
1010 1 78 HIS HD2 1 97 GLY HA3 . . 3.500 3.536 3.504 3.610 0.110 18 0 "[ . 1 . 2 .]" 1
1011 1 78 HIS HD2 1 98 SER H . . 5.360 2.521 2.073 3.586 . 0 0 "[ . 1 . 2 .]" 1
1012 1 79 SER H 1 80 CYS H . . 5.230 4.244 4.054 4.426 . 0 0 "[ . 1 . 2 .]" 1
1013 1 79 SER H 1 95 CYS HA . . 5.160 4.722 4.500 5.006 . 0 0 "[ . 1 . 2 .]" 1
1014 1 79 SER H 1 96 ILE H . . 4.390 3.174 2.861 3.432 . 0 0 "[ . 1 . 2 .]" 1
1015 1 79 SER H 1 96 ILE HB . . 4.630 3.221 2.967 3.605 . 0 0 "[ . 1 . 2 .]" 1
1016 1 79 SER H 1 96 ILE MG . . 5.780 4.477 3.984 4.934 . 0 0 "[ . 1 . 2 .]" 1
1017 1 79 SER H 1 96 ILE HG13 . . 5.700 4.951 4.486 5.665 . 0 0 "[ . 1 . 2 .]" 1
1018 1 79 SER HA 1 80 CYS H . . 3.460 2.207 2.130 2.487 . 0 0 "[ . 1 . 2 .]" 1
1019 1 79 SER HA 1 96 ILE H . . 5.500 4.868 4.587 4.986 . 0 0 "[ . 1 . 2 .]" 1
1020 1 79 SER HB2 1 80 CYS H . . 4.160 3.442 2.221 4.112 . 0 0 "[ . 1 . 2 .]" 1
1021 1 79 SER HB3 1 80 CYS H . . 4.610 3.546 3.008 4.008 . 0 0 "[ . 1 . 2 .]" 1
1022 1 80 CYS H 1 96 ILE H . . 5.500 4.790 4.592 4.993 . 0 0 "[ . 1 . 2 .]" 1
1023 1 80 CYS HA 1 81 GLU H . . 3.220 2.253 2.163 2.391 . 0 0 "[ . 1 . 2 .]" 1
1024 1 80 CYS HA 1 95 CYS H . . 4.870 4.262 3.830 4.458 . 0 0 "[ . 1 . 2 .]" 1
1025 1 80 CYS HA 1 95 CYS HB3 . . 4.610 4.050 3.544 4.621 0.011 12 0 "[ . 1 . 2 .]" 1
1026 1 80 CYS HA 1 96 ILE H . . 4.110 3.198 2.883 3.519 . 0 0 "[ . 1 . 2 .]" 1
1027 1 80 CYS HB2 1 81 GLU H . . 4.710 4.580 4.343 4.673 . 0 0 "[ . 1 . 2 .]" 1
1028 1 80 CYS HB2 1 95 CYS HA . . 4.650 4.231 3.579 4.596 . 0 0 "[ . 1 . 2 .]" 1
1029 1 80 CYS HB3 1 81 GLU H . . 4.910 4.117 3.940 4.279 . 0 0 "[ . 1 . 2 .]" 1
1030 1 81 GLU H 1 81 GLU HG3 . . 4.600 4.214 3.495 4.592 . 0 0 "[ . 1 . 2 .]" 1
1031 1 81 GLU H 1 93 ALA HA . . 5.420 5.248 4.886 5.466 0.046 7 0 "[ . 1 . 2 .]" 1
1032 1 81 GLU H 1 94 VAL H . . 4.130 3.688 3.386 4.040 . 0 0 "[ . 1 . 2 .]" 1
1033 1 81 GLU H 1 94 VAL MG1 . . 5.650 4.599 4.246 5.039 . 0 0 "[ . 1 . 2 .]" 1
1034 1 81 GLU H 1 95 CYS HA . . 4.360 3.342 2.792 3.680 . 0 0 "[ . 1 . 2 .]" 1
1035 1 81 GLU H 1 96 ILE H . . 4.640 4.114 3.427 4.640 . 0 0 "[ . 1 . 2 .]" 1
1036 1 81 GLU HA 1 81 GLU HG3 . . 4.280 3.379 2.688 3.869 . 0 0 "[ . 1 . 2 .]" 1
1037 1 81 GLU HB2 1 82 VAL H . . 4.800 4.333 3.902 4.576 . 0 0 "[ . 1 . 2 .]" 1
1038 1 81 GLU HB3 1 82 VAL H . . 4.200 3.645 2.523 4.313 0.113 23 0 "[ . 1 . 2 .]" 1
1039 1 81 GLU HB3 1 94 VAL MG1 . . 5.600 5.134 4.591 5.631 0.031 19 0 "[ . 1 . 2 .]" 1
1040 1 81 GLU HB3 1 94 VAL MG2 . . 6.600 4.068 3.073 5.132 . 0 0 "[ . 1 . 2 .]" 1
1041 1 81 GLU HG3 1 94 VAL MG1 . . 6.600 6.127 4.881 6.640 0.040 1 0 "[ . 1 . 2 .]" 1
1042 1 82 VAL H 1 82 VAL HB . . 3.720 3.093 2.327 3.606 . 0 0 "[ . 1 . 2 .]" 1
1043 1 82 VAL H 1 82 VAL MG1 . . 4.770 2.053 1.715 3.370 . 0 0 "[ . 1 . 2 .]" 1
1044 1 82 VAL H 1 83 THR H . . 5.140 4.172 3.781 4.431 . 0 0 "[ . 1 . 2 .]" 1
1045 1 82 VAL HA 1 83 THR H . . 3.320 2.140 2.075 2.265 . 0 0 "[ . 1 . 2 .]" 1
1046 1 82 VAL HA 1 93 ALA HA . . 3.280 1.996 1.571 2.320 . 0 0 "[ . 1 . 2 .]" 1
1047 1 82 VAL HA 1 93 ALA MB . . 5.150 3.219 2.793 3.721 . 0 0 "[ . 1 . 2 .]" 1
1048 1 82 VAL HA 1 94 VAL H . . 4.130 3.123 2.671 3.516 . 0 0 "[ . 1 . 2 .]" 1
1049 1 82 VAL HB 1 83 THR H . . 5.330 4.295 4.147 4.545 . 0 0 "[ . 1 . 2 .]" 1
1050 1 82 VAL HB 1 93 ALA HA . . 4.580 3.171 2.261 4.631 0.051 15 0 "[ . 1 . 2 .]" 1
1051 1 82 VAL MG1 1 83 THR H . . 5.430 4.117 2.916 4.294 . 0 0 "[ . 1 . 2 .]" 1
1052 1 82 VAL MG1 1 91 ARG HG3 . . 6.600 5.479 2.937 6.636 0.036 4 0 "[ . 1 . 2 .]" 1
1053 1 82 VAL MG1 1 93 ALA HA . . 4.690 4.413 3.821 4.721 0.031 11 0 "[ . 1 . 2 .]" 1
1054 1 82 VAL MG1 1 93 ALA MB . . 5.810 4.021 3.375 4.569 . 0 0 "[ . 1 . 2 .]" 1
1055 1 82 VAL MG1 1 94 VAL H . . 5.800 5.312 4.825 5.792 . 0 0 "[ . 1 . 2 .]" 1
1056 1 82 VAL MG2 1 83 THR H . . 4.800 2.969 2.415 3.499 . 0 0 "[ . 1 . 2 .]" 1
1057 1 82 VAL MG2 1 91 ARG HA . . 5.640 4.284 3.764 5.442 . 0 0 "[ . 1 . 2 .]" 1
1058 1 82 VAL MG2 1 91 ARG HB3 . . 5.900 4.423 3.003 5.852 . 0 0 "[ . 1 . 2 .]" 1
1059 1 82 VAL MG2 1 91 ARG HG2 . . 5.760 3.684 2.719 4.967 . 0 0 "[ . 1 . 2 .]" 1
1060 1 82 VAL MG2 1 91 ARG HG3 . . 4.690 3.306 2.269 4.597 . 0 0 "[ . 1 . 2 .]" 1
1061 1 82 VAL MG2 1 91 ARG HD2 . . 4.890 2.781 1.907 4.388 . 0 0 "[ . 1 . 2 .]" 1
1062 1 82 VAL MG2 1 91 ARG HD3 . . 5.220 3.523 2.362 5.248 0.028 23 0 "[ . 1 . 2 .]" 1
1063 1 82 VAL MG2 1 92 GLN H . . 5.010 3.602 2.796 4.794 . 0 0 "[ . 1 . 2 .]" 1
1064 1 82 VAL MG2 1 93 ALA HA . . 5.280 3.034 2.209 3.547 . 0 0 "[ . 1 . 2 .]" 1
1065 1 82 VAL MG2 1 93 ALA MB . . 5.910 2.616 1.929 3.369 . 0 0 "[ . 1 . 2 .]" 1
1066 1 83 THR H 1 83 THR MG . . 4.590 3.261 1.740 3.849 . 0 0 "[ . 1 . 2 .]" 1
1067 1 83 THR H 1 91 ARG HA . . 5.440 4.935 4.245 5.449 0.009 13 0 "[ . 1 . 2 .]" 1
1068 1 83 THR H 1 92 GLN H . . 4.170 3.216 2.787 3.680 . 0 0 "[ . 1 . 2 .]" 1
1069 1 83 THR H 1 92 GLN HB2 . . 5.500 5.035 4.265 5.498 . 0 0 "[ . 1 . 2 .]" 1
1070 1 83 THR H 1 92 GLN HB3 . . 5.400 3.580 3.135 4.115 . 0 0 "[ . 1 . 2 .]" 1
1071 1 83 THR H 1 93 ALA HA . . 4.180 3.330 3.023 3.679 . 0 0 "[ . 1 . 2 .]" 1
1072 1 83 THR HB 1 92 GLN H . . 5.700 3.722 2.680 5.198 . 0 0 "[ . 1 . 2 .]" 1
1073 1 83 THR HB 1 92 GLN HB3 . . 5.040 3.292 2.191 4.809 . 0 0 "[ . 1 . 2 .]" 1
1074 1 83 THR MG 1 91 ARG HD3 . . 6.540 5.991 4.682 6.604 0.064 21 0 "[ . 1 . 2 .]" 1
1075 1 83 THR MG 1 92 GLN H . . 5.540 4.087 2.418 5.056 . 0 0 "[ . 1 . 2 .]" 1
1076 1 83 THR MG 1 92 GLN HB2 . . 5.700 4.751 2.384 5.753 0.053 5 0 "[ . 1 . 2 .]" 1
1077 1 83 THR MG 1 92 GLN HB3 . . 4.750 3.607 1.806 4.725 . 0 0 "[ . 1 . 2 .]" 1
1078 1 83 THR MG 1 93 ALA HA . . 6.210 5.805 4.155 6.289 0.079 8 0 "[ . 1 . 2 .]" 1
1079 1 83 THR MG 1 94 VAL MG2 . . 6.600 4.593 3.290 5.635 . 0 0 "[ . 1 . 2 .]" 1
1080 1 84 SER HA 1 91 ARG HA . . 3.610 2.518 2.245 2.944 . 0 0 "[ . 1 . 2 .]" 1
1081 1 84 SER HA 1 91 ARG HD3 . . 4.280 2.950 2.286 3.890 . 0 0 "[ . 1 . 2 .]" 1
1082 1 84 SER HA 1 92 GLN H . . 4.280 3.705 3.280 4.125 . 0 0 "[ . 1 . 2 .]" 1
1083 1 84 SER HB2 1 85 GLY H . . 4.910 4.211 2.690 4.646 . 0 0 "[ . 1 . 2 .]" 1
1084 1 84 SER HB2 1 91 ARG HG2 . . 4.740 4.647 3.756 4.840 0.100 1 0 "[ . 1 . 2 .]" 1
1085 1 84 SER HB2 1 91 ARG HD2 . . 4.620 3.449 1.862 4.790 0.170 8 0 "[ . 1 . 2 .]" 1
1086 1 84 SER HB2 1 91 ARG HD3 . . 4.530 2.987 1.819 4.551 0.021 22 0 "[ . 1 . 2 .]" 1
1087 1 85 GLY H 1 91 ARG HA . . 4.480 3.554 3.033 3.982 . 0 0 "[ . 1 . 2 .]" 1
1088 1 85 GLY H 1 92 GLN H . . 5.210 5.080 4.267 5.290 0.080 12 0 "[ . 1 . 2 .]" 1
1089 1 86 THR H 1 86 THR HB . . 3.820 3.151 2.811 3.447 . 0 0 "[ . 1 . 2 .]" 1
1090 1 86 THR H 1 87 PRO HD2 . . 5.500 5.122 4.791 5.320 . 0 0 "[ . 1 . 2 .]" 1
1091 1 86 THR H 1 89 CYS H . . 5.260 4.823 4.009 5.318 0.058 12 0 "[ . 1 . 2 .]" 1
1092 1 86 THR H 1 89 CYS HB2 . . 5.900 5.074 4.441 5.708 . 0 0 "[ . 1 . 2 .]" 1
1093 1 86 THR HA 1 87 PRO HD2 . . 3.000 2.526 2.118 2.764 . 0 0 "[ . 1 . 2 .]" 1
1094 1 86 THR HA 1 87 PRO HD3 . . 3.300 2.021 1.771 2.470 . 0 0 "[ . 1 . 2 .]" 1
1095 1 86 THR HB 1 87 PRO HD2 . . 4.230 3.694 2.983 4.254 0.024 2 0 "[ . 1 . 2 .]" 1
1096 1 86 THR HB 1 87 PRO HD3 . . 4.770 4.327 3.923 4.685 . 0 0 "[ . 1 . 2 .]" 1
1097 1 86 THR HB 1 89 CYS HB2 . . 4.800 2.816 2.125 3.401 . 0 0 "[ . 1 . 2 .]" 1
1098 1 86 THR HB 1 89 CYS HB3 . . 4.330 4.095 3.404 4.380 0.050 4 0 "[ . 1 . 2 .]" 1
1099 1 86 THR MG 1 87 PRO HD2 . . 4.840 2.262 1.887 2.878 . 0 0 "[ . 1 . 2 .]" 1
1100 1 86 THR MG 1 87 PRO HD3 . . 5.100 3.032 2.635 3.440 . 0 0 "[ . 1 . 2 .]" 1
1101 1 86 THR MG 1 89 CYS H . . 5.720 4.144 3.245 4.672 . 0 0 "[ . 1 . 2 .]" 1
1102 1 88 GLY H 1 89 CYS H . . 4.150 3.075 2.507 3.641 . 0 0 "[ . 1 . 2 .]" 1
1103 1 89 CYS H 1 89 CYS HB2 . . 4.070 2.560 2.259 2.744 . 0 0 "[ . 1 . 2 .]" 1
1104 1 89 CYS H 1 90 TYR H . . 5.470 3.867 3.570 4.223 . 0 0 "[ . 1 . 2 .]" 1
1105 1 89 CYS HA 1 90 TYR H . . 3.510 2.213 2.078 2.290 . 0 0 "[ . 1 . 2 .]" 1
1106 1 89 CYS HA 1 90 TYR HB2 . . 4.900 4.803 4.503 5.099 0.199 24 0 "[ . 1 . 2 .]" 1
1107 1 89 CYS HA 1 90 TYR HB3 . . 4.580 4.435 3.956 4.717 0.137 17 0 "[ . 1 . 2 .]" 1
1108 1 89 CYS HA 1 91 ARG H . . 5.000 3.881 3.698 4.175 . 0 0 "[ . 1 . 2 .]" 1
1109 1 89 CYS HB2 1 92 GLN HB2 . . 4.500 3.208 2.536 3.838 . 0 0 "[ . 1 . 2 .]" 1
1110 1 89 CYS HB2 1 92 GLN HB3 . . 4.500 4.127 3.490 4.532 0.032 9 0 "[ . 1 . 2 .]" 1
1111 1 89 CYS HB3 1 90 TYR H . . 5.270 3.959 3.689 4.149 . 0 0 "[ . 1 . 2 .]" 1
1112 1 89 CYS HB3 1 91 ARG H . . 4.640 3.942 3.566 4.341 . 0 0 "[ . 1 . 2 .]" 1
1113 1 89 CYS HB3 1 92 GLN HB2 . . 4.190 2.226 1.703 2.780 . 0 0 "[ . 1 . 2 .]" 1
1114 1 89 CYS HB3 1 92 GLN HB3 . . 4.380 3.560 2.709 4.329 . 0 0 "[ . 1 . 2 .]" 1
1115 1 90 TYR H 1 90 TYR HB2 . . 3.980 2.604 2.302 3.028 . 0 0 "[ . 1 . 2 .]" 1
1116 1 90 TYR H 1 90 TYR HB3 . . 4.020 2.439 1.997 2.714 . 0 0 "[ . 1 . 2 .]" 1
1117 1 90 TYR H 1 91 ARG H . . 4.050 2.881 2.661 3.240 . 0 0 "[ . 1 . 2 .]" 1
1118 1 90 TYR HB2 1 91 ARG H . . 3.890 3.807 3.534 3.942 0.052 7 0 "[ . 1 . 2 .]" 1
1119 1 90 TYR HB3 1 91 ARG H . . 4.360 2.459 2.191 2.873 . 0 0 "[ . 1 . 2 .]" 1
1120 1 90 TYR QD 1 91 ARG H . . 7.040 3.342 2.595 4.015 . 0 0 "[ . 1 . 2 .]" 1
1121 1 90 TYR QE 1 91 ARG H . . 7.700 5.224 4.139 5.871 . 0 0 "[ . 1 . 2 .]" 1
1122 1 91 ARG H 1 91 ARG HG2 . . 5.190 4.641 3.393 5.068 . 0 0 "[ . 1 . 2 .]" 1
1123 1 91 ARG HA 1 91 ARG HG3 . . 3.790 2.890 2.145 3.694 . 0 0 "[ . 1 . 2 .]" 1
1124 1 91 ARG HA 1 91 ARG HD2 . . 4.470 3.387 2.357 4.483 0.013 12 0 "[ . 1 . 2 .]" 1
1125 1 91 ARG HA 1 91 ARG HD3 . . 4.100 2.914 1.792 4.077 . 0 0 "[ . 1 . 2 .]" 1
1126 1 91 ARG HA 1 92 GLN H . . 3.520 2.157 2.114 2.240 . 0 0 "[ . 1 . 2 .]" 1
1127 1 91 ARG HB3 1 92 GLN H . . 4.590 3.917 3.263 4.466 . 0 0 "[ . 1 . 2 .]" 1
1128 1 91 ARG HD3 1 92 GLN H . . 5.170 4.123 2.513 5.238 0.068 16 0 "[ . 1 . 2 .]" 1
1129 1 92 GLN H 1 92 GLN HB3 . . 4.090 2.697 2.528 3.227 . 0 0 "[ . 1 . 2 .]" 1
1130 1 92 GLN H 1 93 ALA H . . 5.400 4.120 3.850 4.376 . 0 0 "[ . 1 . 2 .]" 1
1131 1 92 GLN HA 1 93 ALA H . . 3.310 2.169 2.136 2.319 . 0 0 "[ . 1 . 2 .]" 1
1132 1 92 GLN HB2 1 93 ALA H . . 4.890 4.351 3.992 4.645 . 0 0 "[ . 1 . 2 .]" 1
1133 1 92 GLN HE21 1 94 VAL MG2 . . 5.710 3.055 2.350 4.140 . 0 0 "[ . 1 . 2 .]" 1
1134 1 93 ALA H 1 94 VAL H . . 4.630 4.282 4.092 4.505 . 0 0 "[ . 1 . 2 .]" 1
1135 1 93 ALA HA 1 94 VAL H . . 3.120 2.166 2.140 2.221 . 0 0 "[ . 1 . 2 .]" 1
1136 1 94 VAL H 1 94 VAL HB . . 3.860 2.850 2.617 3.816 . 0 0 "[ . 1 . 2 .]" 1
1137 1 94 VAL HA 1 95 CYS H . . 3.210 2.177 2.143 2.256 . 0 0 "[ . 1 . 2 .]" 1
1138 1 94 VAL HB 1 95 CYS H . . 5.060 4.211 2.863 4.379 . 0 0 "[ . 1 . 2 .]" 1
1139 1 94 VAL MG1 1 95 CYS H . . 4.780 3.190 2.843 4.046 . 0 0 "[ . 1 . 2 .]" 1
1140 1 95 CYS H 1 95 CYS HB2 . . 4.130 2.342 2.164 2.742 . 0 0 "[ . 1 . 2 .]" 1
1141 1 95 CYS H 1 96 ILE H . . 4.620 4.357 4.148 4.568 . 0 0 "[ . 1 . 2 .]" 1
1142 1 95 CYS HA 1 96 ILE H . . 3.250 2.157 2.135 2.229 . 0 0 "[ . 1 . 2 .]" 1
1143 1 95 CYS HB2 1 96 ILE H . . 4.700 4.458 4.278 4.619 . 0 0 "[ . 1 . 2 .]" 1
1144 1 95 CYS HB3 1 96 ILE H . . 4.420 3.659 3.257 4.220 . 0 0 "[ . 1 . 2 .]" 1
1145 1 96 ILE H 1 96 ILE HB . . 3.700 2.759 2.588 2.914 . 0 0 "[ . 1 . 2 .]" 1
1146 1 96 ILE H 1 96 ILE HG12 . . 4.490 3.881 3.568 4.342 . 0 0 "[ . 1 . 2 .]" 1
1147 1 96 ILE H 1 96 ILE HG13 . . 4.250 2.417 1.991 3.019 . 0 0 "[ . 1 . 2 .]" 1
1148 1 96 ILE H 1 96 ILE MD . . 5.580 3.085 2.617 3.868 . 0 0 "[ . 1 . 2 .]" 1
1149 1 96 ILE HA 1 96 ILE HG12 . . 4.020 3.107 2.605 3.350 . 0 0 "[ . 1 . 2 .]" 1
1150 1 96 ILE HA 1 97 GLY H . . 2.970 2.156 2.124 2.199 . 0 0 "[ . 1 . 2 .]" 1
1151 1 96 ILE HB 1 97 GLY H . . 4.720 3.987 3.720 4.203 . 0 0 "[ . 1 . 2 .]" 1
1152 1 96 ILE MG 1 97 GLY H . . 4.370 2.433 2.162 2.690 . 0 0 "[ . 1 . 2 .]" 1
1153 1 96 ILE HG13 1 97 GLY H . . 5.110 4.842 4.527 5.014 . 0 0 "[ . 1 . 2 .]" 1
1154 1 97 GLY H 1 98 SER H . . 4.630 4.359 4.281 4.399 . 0 0 "[ . 1 . 2 .]" 1
1155 1 98 SER H 1 98 SER HB2 . . 3.610 2.685 2.551 2.864 . 0 0 "[ . 1 . 2 .]" 1
1156 1 98 SER HA 1 99 ALA H . . 3.280 2.177 2.137 2.234 . 0 0 "[ . 1 . 2 .]" 1
1157 1 98 SER HA 1 99 ALA MB . . 4.980 3.935 3.867 4.032 . 0 0 "[ . 1 . 2 .]" 1
1158 1 98 SER HB2 1 99 ALA H . . 4.840 3.967 3.756 4.207 . 0 0 "[ . 1 . 2 .]" 1
1159 1 98 SER HB3 1 99 ALA H . . 4.510 3.227 2.950 3.537 . 0 0 "[ . 1 . 2 .]" 1
1160 1 99 ALA H 1 100 LEU H . . 5.340 4.250 4.001 4.360 . 0 0 "[ . 1 . 2 .]" 1
1161 1 99 ALA HA 1 100 LEU H . . 3.020 2.154 2.126 2.252 . 0 0 "[ . 1 . 2 .]" 1
1162 1 100 LEU H 1 100 LEU HB3 . . 4.070 3.692 3.635 3.746 . 0 0 "[ . 1 . 2 .]" 1
1163 1 100 LEU H 1 100 LEU HG . . 4.600 4.478 4.393 4.594 . 0 0 "[ . 1 . 2 .]" 1
1164 1 100 LEU H 1 100 LEU MD1 . . 4.660 3.245 2.991 3.458 . 0 0 "[ . 1 . 2 .]" 1
1165 1 100 LEU H 1 100 LEU MD2 . . 4.860 2.581 2.348 2.969 . 0 0 "[ . 1 . 2 .]" 1
1166 1 100 LEU HA 1 100 LEU MD1 . . 4.430 1.821 1.458 2.046 . 0 0 "[ . 1 . 2 .]" 1
1167 1 100 LEU HA 1 101 ASN H . . 3.100 2.316 2.241 2.409 . 0 0 "[ . 1 . 2 .]" 1
1168 1 100 LEU HB2 1 101 ASN H . . 3.970 3.804 3.591 3.966 . 0 0 "[ . 1 . 2 .]" 1
1169 1 100 LEU HB3 1 101 ASN H . . 4.590 2.601 2.383 2.846 . 0 0 "[ . 1 . 2 .]" 1
1170 1 100 LEU MD1 1 101 ASN H . . 5.870 3.415 3.213 3.639 . 0 0 "[ . 1 . 2 .]" 1
1171 1 101 ASN H 1 101 ASN HB2 . . 4.130 2.986 2.693 3.316 . 0 0 "[ . 1 . 2 .]" 1
1172 1 101 ASN H 1 101 ASN HB3 . . 3.860 2.653 2.385 2.891 . 0 0 "[ . 1 . 2 .]" 1
1173 1 101 ASN H 1 102 ILE H . . 5.500 4.207 3.962 4.522 . 0 0 "[ . 1 . 2 .]" 1
1174 1 101 ASN HA 1 102 ILE H . . 3.170 2.229 2.134 2.521 . 0 0 "[ . 1 . 2 .]" 1
1175 1 101 ASN HB3 1 102 ILE H . . 5.260 4.189 3.228 4.536 . 0 0 "[ . 1 . 2 .]" 1
1176 1 102 ILE H 1 102 ILE HB . . 3.760 2.647 2.218 2.823 . 0 0 "[ . 1 . 2 .]" 1
1177 1 102 ILE H 1 102 ILE MD . . 5.790 3.168 2.307 3.954 . 0 0 "[ . 1 . 2 .]" 1
1178 1 102 ILE H 1 103 THR H . . 5.370 4.367 4.122 4.543 . 0 0 "[ . 1 . 2 .]" 1
1179 1 102 ILE HA 1 103 THR H . . 3.410 2.137 2.108 2.184 . 0 0 "[ . 1 . 2 .]" 1
1180 1 102 ILE HB 1 103 THR H . . 4.510 4.234 4.005 4.449 . 0 0 "[ . 1 . 2 .]" 1
1181 1 102 ILE MG 1 103 THR H . . 5.310 2.837 2.336 3.255 . 0 0 "[ . 1 . 2 .]" 1
1182 1 102 ILE MD 1 103 THR H . . 6.600 4.524 3.639 5.494 . 0 0 "[ . 1 . 2 .]" 1
1183 1 103 THR H 1 104 ALA H . . 4.640 3.989 3.372 4.523 . 0 0 "[ . 1 . 2 .]" 1
1184 1 103 THR HB 1 104 ALA H . . 4.910 4.243 3.700 4.603 . 0 0 "[ . 1 . 2 .]" 1
1185 1 103 THR MG 1 104 ALA H . . 6.340 3.452 2.335 4.177 . 0 0 "[ . 1 . 2 .]" 1
1186 1 104 ALA H 1 105 LYS H . . 4.130 2.614 1.931 3.861 . 0 0 "[ . 1 . 2 .]" 1
1187 1 104 ALA HA 1 105 LYS H . . 4.000 3.271 2.348 3.565 . 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 6
_Distance_constraint_stats_list.Viol_count 150
_Distance_constraint_stats_list.Viol_total 152.138
_Distance_constraint_stats_list.Viol_max 0.073
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0406
_Distance_constraint_stats_list.Viol_average_violations_only 0.0406
_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 45 CYS 3.167 0.066 9 0 "[ . 1 . 2 .]"
1 80 CYS 2.919 0.073 3 0 "[ . 1 . 2 .]"
1 89 CYS 3.167 0.066 9 0 "[ . 1 . 2 .]"
1 95 CYS 2.919 0.073 3 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 45 CYS CB 1 89 CYS SG . . 3.000 3.053 3.040 3.066 0.066 9 0 "[ . 1 . 2 .]" 2
2 1 45 CYS SG 1 89 CYS CB . . 3.000 3.043 3.032 3.053 0.053 20 0 "[ . 1 . 2 .]" 2
3 1 45 CYS SG 1 89 CYS SG . . 2.000 2.031 2.028 2.034 0.034 13 0 "[ . 1 . 2 .]" 2
4 1 80 CYS CB 1 95 CYS SG . . 3.000 3.041 3.025 3.072 0.072 3 0 "[ . 1 . 2 .]" 2
5 1 80 CYS SG 1 95 CYS CB . . 3.000 3.044 3.038 3.073 0.073 3 0 "[ . 1 . 2 .]" 2
6 1 80 CYS SG 1 95 CYS SG . . 2.000 2.031 2.028 2.036 0.036 3 0 "[ . 1 . 2 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 482
_Distance_constraint_stats_list.Viol_total 1723.544
_Distance_constraint_stats_list.Viol_max 0.332
_Distance_constraint_stats_list.Viol_rms 0.0708
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0313
_Distance_constraint_stats_list.Viol_average_violations_only 0.1430
_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 21 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 TYR 0.504 0.220 2 0 "[ . 1 . 2 .]"
1 25 ASN 6.656 0.256 10 0 "[ . 1 . 2 .]"
1 26 ALA 2.361 0.267 5 0 "[ . 1 . 2 .]"
1 28 GLU 14.598 0.332 24 0 "[ . 1 . 2 .]"
1 29 LEU 6.414 0.261 15 0 "[ . 1 . 2 .]"
1 30 VAL 2.361 0.267 5 0 "[ . 1 . 2 .]"
1 31 GLY 7.942 0.332 24 0 "[ . 1 . 2 .]"
1 32 LYS 6.414 0.261 15 0 "[ . 1 . 2 .]"
1 33 PRO 3.247 0.257 19 0 "[ . 1 . 2 .]"
1 35 ARG 1.313 0.216 7 0 "[ . 1 . 2 .]"
1 38 GLY 9.926 0.278 13 0 "[ . 1 . 2 .]"
1 40 VAL 1.845 0.215 8 0 "[ . 1 . 2 .]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 SER 4.428 0.278 14 0 "[ . 1 . 2 .]"
1 46 GLN 4.317 0.258 22 0 "[ . 1 . 2 .]"
1 55 SER 0.279 0.192 17 0 "[ . 1 . 2 .]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 57 PRO 0.785 0.169 19 0 "[ . 1 . 2 .]"
1 58 THR 0.701 0.141 15 0 "[ . 1 . 2 .]"
1 59 ALA 0.279 0.192 17 0 "[ . 1 . 2 .]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 LYS 0.785 0.169 19 0 "[ . 1 . 2 .]"
1 62 ARG 1.383 0.227 5 0 "[ . 1 . 2 .]"
1 63 MET 0.158 0.130 20 0 "[ . 1 . 2 .]"
1 64 GLN 0.261 0.109 11 0 "[ . 1 . 2 .]"
1 65 ILE 0.804 0.187 18 0 "[ . 1 . 2 .]"
1 66 ASN 0.682 0.227 5 0 "[ . 1 . 2 .]"
1 67 ALA 0.158 0.130 20 0 "[ . 1 . 2 .]"
1 68 SER 0.261 0.109 11 0 "[ . 1 . 2 .]"
1 69 LYS 0.804 0.187 18 0 "[ . 1 . 2 .]"
1 73 ASN 2.064 0.253 19 0 "[ . 1 . 2 .]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 75 VAL 0.278 0.220 2 0 "[ . 1 . 2 .]"
1 76 LEU 1.046 0.212 19 0 "[ . 1 . 2 .]"
1 77 LEU 0.225 0.183 19 0 "[ . 1 . 2 .]"
1 78 HIS 0.447 0.143 6 0 "[ . 1 . 2 .]"
1 79 SER 10.487 0.310 11 0 "[ . 1 . 2 .]"
1 81 GLU 1.163 0.228 17 0 "[ . 1 . 2 .]"
1 83 THR 0.202 0.182 13 0 "[ . 1 . 2 .]"
1 85 GLY 0.911 0.219 22 0 "[ . 1 . 2 .]"
1 90 TYR 4.179 0.258 22 0 "[ . 1 . 2 .]"
1 91 ARG 1.049 0.232 13 0 "[ . 1 . 2 .]"
1 92 GLN 0.202 0.182 13 0 "[ . 1 . 2 .]"
1 93 ALA 4.428 0.278 14 0 "[ . 1 . 2 .]"
1 94 VAL 1.163 0.228 17 0 "[ . 1 . 2 .]"
1 95 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 96 ILE 10.934 0.310 11 0 "[ . 1 . 2 .]"
1 97 GLY 1.845 0.215 8 0 "[ . 1 . 2 .]"
1 98 SER 1.046 0.212 19 0 "[ . 1 . 2 .]"
1 99 ALA 9.926 0.278 13 0 "[ . 1 . 2 .]"
1 100 LEU 2.064 0.253 19 0 "[ . 1 . 2 .]"
1 101 ASN 1.313 0.216 7 0 "[ . 1 . 2 .]"
1 103 THR 3.247 0.257 19 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 21 ARG N 1 73 ASN O . . 3.100 2.864 2.811 2.997 . 0 0 "[ . 1 . 2 .]" 3
2 1 21 ARG H 1 73 ASN O . . 2.100 1.925 1.845 2.082 . 0 0 "[ . 1 . 2 .]" 3
3 1 21 ARG O 1 75 VAL N . . 3.100 2.892 2.826 2.996 . 0 0 "[ . 1 . 2 .]" 3
4 1 21 ARG O 1 75 VAL H . . 2.100 1.956 1.876 2.074 . 0 0 "[ . 1 . 2 .]" 3
5 1 23 TYR N 1 75 VAL O . . 3.100 2.854 2.827 2.888 . 0 0 "[ . 1 . 2 .]" 3
6 1 23 TYR H 1 75 VAL O . . 2.100 1.920 1.865 2.320 0.220 2 0 "[ . 1 . 2 .]" 3
7 1 23 TYR O 1 77 LEU N . . 3.100 2.865 2.788 3.136 0.036 19 0 "[ . 1 . 2 .]" 3
8 1 23 TYR O 1 77 LEU H . . 2.100 1.982 1.896 2.283 0.183 19 0 "[ . 1 . 2 .]" 3
9 1 25 ASN O 1 28 GLU N . . 3.100 3.134 3.030 3.198 0.098 13 0 "[ . 1 . 2 .]" 3
10 1 25 ASN O 1 28 GLU H . . 2.100 2.325 2.289 2.356 0.256 10 0 "[ . 1 . 2 .]" 3
11 1 26 ALA O 1 30 VAL N . . 3.100 3.056 2.887 3.317 0.217 5 0 "[ . 1 . 2 .]" 3
12 1 26 ALA O 1 30 VAL H . . 2.100 2.087 1.912 2.367 0.267 5 0 "[ . 1 . 2 .]" 3
13 1 28 GLU O 1 31 GLY N . . 3.100 3.170 3.009 3.294 0.194 25 0 "[ . 1 . 2 .]" 3
14 1 28 GLU O 1 31 GLY H . . 2.100 2.342 2.162 2.432 0.332 24 0 "[ . 1 . 2 .]" 3
15 1 29 LEU O 1 32 LYS N . . 3.100 3.176 2.989 3.301 0.201 8 0 "[ . 1 . 2 .]" 3
16 1 29 LEU O 1 32 LYS H . . 2.100 2.265 2.079 2.361 0.261 15 0 "[ . 1 . 2 .]" 3
17 1 33 PRO O 1 103 THR N . . 3.100 2.973 2.868 3.197 0.097 24 0 "[ . 1 . 2 .]" 3
18 1 33 PRO O 1 103 THR H . . 2.100 2.197 1.932 2.357 0.257 19 0 "[ . 1 . 2 .]" 3
19 1 35 ARG N 1 101 ASN O . . 3.100 2.802 2.729 2.872 . 0 0 "[ . 1 . 2 .]" 3
20 1 35 ARG H 1 101 ASN O . . 2.100 1.940 1.813 2.290 0.190 4 0 "[ . 1 . 2 .]" 3
21 1 35 ARG O 1 101 ASN N . . 3.100 2.942 2.814 3.277 0.177 7 0 "[ . 1 . 2 .]" 3
22 1 35 ARG O 1 101 ASN H . . 2.100 1.981 1.849 2.316 0.216 7 0 "[ . 1 . 2 .]" 3
23 1 38 GLY N 1 99 ALA O . . 3.100 3.254 2.855 3.353 0.253 13 0 "[ . 1 . 2 .]" 3
24 1 38 GLY H 1 99 ALA O . . 2.100 2.297 1.967 2.378 0.278 13 0 "[ . 1 . 2 .]" 3
25 1 38 GLY O 1 99 ALA N . . 3.100 2.858 2.811 2.991 . 0 0 "[ . 1 . 2 .]" 3
26 1 38 GLY O 1 99 ALA H . . 2.100 2.029 1.917 2.321 0.221 17 0 "[ . 1 . 2 .]" 3
27 1 40 VAL N 1 97 GLY O . . 3.100 2.924 2.824 3.206 0.106 8 0 "[ . 1 . 2 .]" 3
28 1 40 VAL H 1 97 GLY O . . 2.100 1.988 1.889 2.278 0.178 3 0 "[ . 1 . 2 .]" 3
29 1 40 VAL O 1 97 GLY N . . 3.100 3.047 2.882 3.285 0.185 8 0 "[ . 1 . 2 .]" 3
30 1 40 VAL O 1 97 GLY H . . 2.100 2.071 1.898 2.315 0.215 8 0 "[ . 1 . 2 .]" 3
31 1 42 GLY N 1 95 CYS O . . 3.100 2.833 2.793 2.871 . 0 0 "[ . 1 . 2 .]" 3
32 1 42 GLY H 1 95 CYS O . . 2.100 1.891 1.839 2.056 . 0 0 "[ . 1 . 2 .]" 3
33 1 42 GLY O 1 95 CYS N . . 3.100 2.904 2.822 3.029 . 0 0 "[ . 1 . 2 .]" 3
34 1 42 GLY O 1 95 CYS H . . 2.100 1.947 1.866 2.079 . 0 0 "[ . 1 . 2 .]" 3
35 1 44 SER N 1 93 ALA O . . 3.100 2.842 2.791 2.879 . 0 0 "[ . 1 . 2 .]" 3
36 1 44 SER H 1 93 ALA O . . 2.100 1.974 1.873 2.339 0.239 19 0 "[ . 1 . 2 .]" 3
37 1 44 SER O 1 93 ALA N . . 3.100 3.092 2.871 3.305 0.205 5 0 "[ . 1 . 2 .]" 3
38 1 44 SER O 1 93 ALA H . . 2.100 2.153 1.901 2.378 0.278 14 0 "[ . 1 . 2 .]" 3
39 1 46 GLN N 1 91 ARG O . . 3.100 2.953 2.847 3.204 0.104 5 0 "[ . 1 . 2 .]" 3
40 1 46 GLN H 1 91 ARG O . . 2.100 2.034 1.892 2.332 0.232 13 0 "[ . 1 . 2 .]" 3
41 1 46 GLN O 1 90 TYR N . . 3.100 2.888 2.794 3.014 . 0 0 "[ . 1 . 2 .]" 3
42 1 46 GLN O 1 90 TYR H . . 2.100 2.222 1.996 2.358 0.258 22 0 "[ . 1 . 2 .]" 3
43 1 55 SER O 1 59 ALA N . . 3.100 2.893 2.819 3.187 0.087 17 0 "[ . 1 . 2 .]" 3
44 1 55 SER O 1 59 ALA H . . 2.100 1.935 1.841 2.292 0.192 17 0 "[ . 1 . 2 .]" 3
45 1 56 ILE O 1 60 ARG N . . 3.100 2.846 2.809 2.904 . 0 0 "[ . 1 . 2 .]" 3
46 1 56 ILE O 1 60 ARG H . . 2.100 1.922 1.881 1.955 . 0 0 "[ . 1 . 2 .]" 3
47 1 57 PRO O 1 61 LYS N . . 3.100 2.913 2.842 3.060 . 0 0 "[ . 1 . 2 .]" 3
48 1 57 PRO O 1 61 LYS H . . 2.100 2.113 2.005 2.269 0.169 19 0 "[ . 1 . 2 .]" 3
49 1 58 THR O 1 62 ARG N . . 3.100 2.998 2.857 3.192 0.092 15 0 "[ . 1 . 2 .]" 3
50 1 58 THR O 1 62 ARG H . . 2.100 2.047 1.894 2.241 0.141 15 0 "[ . 1 . 2 .]" 3
51 1 59 ALA O 1 63 MET N . . 3.100 2.877 2.830 2.944 . 0 0 "[ . 1 . 2 .]" 3
52 1 59 ALA O 1 63 MET H . . 2.100 1.947 1.895 2.046 . 0 0 "[ . 1 . 2 .]" 3
53 1 60 ARG O 1 64 GLN N . . 3.100 2.842 2.779 2.900 . 0 0 "[ . 1 . 2 .]" 3
54 1 60 ARG O 1 64 GLN H . . 2.100 1.980 1.924 2.050 . 0 0 "[ . 1 . 2 .]" 3
55 1 61 LYS O 1 65 ILE N . . 3.100 2.911 2.816 3.021 . 0 0 "[ . 1 . 2 .]" 3
56 1 61 LYS O 1 65 ILE H . . 2.100 1.956 1.867 2.046 . 0 0 "[ . 1 . 2 .]" 3
57 1 62 ARG O 1 66 ASN N . . 3.100 2.947 2.853 3.194 0.094 5 0 "[ . 1 . 2 .]" 3
58 1 62 ARG O 1 66 ASN H . . 2.100 2.039 1.928 2.327 0.227 5 0 "[ . 1 . 2 .]" 3
59 1 63 MET O 1 67 ALA N . . 3.100 2.894 2.842 3.057 . 0 0 "[ . 1 . 2 .]" 3
60 1 63 MET O 1 67 ALA H . . 2.100 1.998 1.894 2.230 0.130 20 0 "[ . 1 . 2 .]" 3
61 1 64 GLN O 1 68 SER N . . 3.100 2.920 2.852 3.128 0.028 11 0 "[ . 1 . 2 .]" 3
62 1 64 GLN O 1 68 SER H . . 2.100 2.008 1.932 2.209 0.109 11 0 "[ . 1 . 2 .]" 3
63 1 65 ILE O 1 69 LYS N . . 3.100 2.963 2.857 3.193 0.093 18 0 "[ . 1 . 2 .]" 3
64 1 65 ILE O 1 69 LYS H . . 2.100 2.052 1.932 2.287 0.187 18 0 "[ . 1 . 2 .]" 3
65 1 73 ASN N 1 100 LEU O . . 3.100 2.976 2.876 3.113 0.013 12 0 "[ . 1 . 2 .]" 3
66 1 73 ASN H 1 100 LEU O . . 2.100 2.153 1.942 2.353 0.253 19 0 "[ . 1 . 2 .]" 3
67 1 74 ALA O 1 100 LEU N . . 3.100 2.849 2.819 2.898 . 0 0 "[ . 1 . 2 .]" 3
68 1 74 ALA O 1 100 LEU H . . 2.100 1.894 1.841 1.991 . 0 0 "[ . 1 . 2 .]" 3
69 1 76 LEU N 1 98 SER O . . 3.100 2.839 2.793 2.917 . 0 0 "[ . 1 . 2 .]" 3
70 1 76 LEU H 1 98 SER O . . 2.100 1.912 1.852 2.022 . 0 0 "[ . 1 . 2 .]" 3
71 1 76 LEU O 1 98 SER N . . 3.100 2.965 2.874 3.105 0.005 8 0 "[ . 1 . 2 .]" 3
72 1 76 LEU O 1 98 SER H . . 2.100 2.113 1.965 2.312 0.212 19 0 "[ . 1 . 2 .]" 3
73 1 78 HIS N 1 96 ILE O . . 3.100 2.922 2.859 3.085 . 0 0 "[ . 1 . 2 .]" 3
74 1 78 HIS H 1 96 ILE O . . 2.100 2.014 1.905 2.243 0.143 6 0 "[ . 1 . 2 .]" 3
75 1 79 SER N 1 96 ILE O . . 3.100 3.274 3.133 3.330 0.230 2 0 "[ . 1 . 2 .]" 3
76 1 79 SER H 1 96 ILE O . . 2.100 2.346 2.176 2.410 0.310 11 0 "[ . 1 . 2 .]" 3
77 1 79 SER O 1 96 ILE N . . 3.100 2.855 2.822 2.898 . 0 0 "[ . 1 . 2 .]" 3
78 1 79 SER O 1 96 ILE H . . 2.100 1.891 1.855 1.955 . 0 0 "[ . 1 . 2 .]" 3
79 1 81 GLU N 1 94 VAL O . . 3.100 2.909 2.837 3.099 . 0 0 "[ . 1 . 2 .]" 3
80 1 81 GLU H 1 94 VAL O . . 2.100 2.106 1.938 2.328 0.228 17 0 "[ . 1 . 2 .]" 3
81 1 81 GLU O 1 94 VAL N . . 3.100 2.845 2.814 2.886 . 0 0 "[ . 1 . 2 .]" 3
82 1 81 GLU O 1 94 VAL H . . 2.100 1.899 1.850 2.043 . 0 0 "[ . 1 . 2 .]" 3
83 1 83 THR N 1 92 GLN O . . 3.100 2.841 2.747 2.886 . 0 0 "[ . 1 . 2 .]" 3
84 1 83 THR H 1 92 GLN O . . 2.100 1.935 1.845 2.282 0.182 13 0 "[ . 1 . 2 .]" 3
85 1 83 THR O 1 92 GLN N . . 3.100 2.890 2.812 3.041 . 0 0 "[ . 1 . 2 .]" 3
86 1 83 THR O 1 92 GLN H . . 2.100 1.951 1.874 2.105 0.005 16 0 "[ . 1 . 2 .]" 3
87 1 85 GLY N 1 90 TYR O . . 3.100 2.941 2.840 3.246 0.146 22 0 "[ . 1 . 2 .]" 3
88 1 85 GLY H 1 90 TYR O . . 2.100 1.998 1.869 2.319 0.219 22 0 "[ . 1 . 2 .]" 3
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 9:24:18 AM GMT (wattos1)