NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
427989 |
2hwt   |
7112 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hwt
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 1190
_Distance_constraint_stats_list.Viol_count 4371
_Distance_constraint_stats_list.Viol_total 7202.086
_Distance_constraint_stats_list.Viol_max 0.393
_Distance_constraint_stats_list.Viol_rms 0.0234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0532
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 3 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 4 VAL 2.116 0.068 17 0 "[ . 1 . 2 . 3 ]"
1 5 ILE 9.352 0.244 25 0 "[ . 1 . 2 . 3 ]"
1 6 CYS 1.616 0.223 15 0 "[ . 1 . 2 . 3 ]"
1 7 TRP 23.503 0.257 12 0 "[ . 1 . 2 . 3 ]"
1 8 CYS 1.341 0.143 23 0 "[ . 1 . 2 . 3 ]"
1 9 PHE 11.553 0.200 29 0 "[ . 1 . 2 . 3 ]"
1 10 THR 9.674 0.169 25 0 "[ . 1 . 2 . 3 ]"
1 11 LEU 4.827 0.167 31 0 "[ . 1 . 2 . 3 ]"
1 12 ASN 0.998 0.080 30 0 "[ . 1 . 2 . 3 ]"
1 13 ASN 1.856 0.153 15 0 "[ . 1 . 2 . 3 ]"
1 14 PRO 1.665 0.080 5 0 "[ . 1 . 2 . 3 ]"
1 15 LEU 0.271 0.035 12 0 "[ . 1 . 2 . 3 ]"
1 16 SER 0.177 0.025 14 0 "[ . 1 . 2 . 3 ]"
1 17 PRO 5.699 0.108 12 0 "[ . 1 . 2 . 3 ]"
1 18 LEU 5.279 0.091 12 0 "[ . 1 . 2 . 3 ]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 20 LEU 1.199 0.058 29 0 "[ . 1 . 2 . 3 ]"
1 21 HIS 12.501 0.162 20 0 "[ . 1 . 2 . 3 ]"
1 22 ASP 2.038 0.117 21 0 "[ . 1 . 2 . 3 ]"
1 23 SER 2.572 0.136 21 0 "[ . 1 . 2 . 3 ]"
1 24 MET 6.456 0.203 21 0 "[ . 1 . 2 . 3 ]"
1 25 LYS 5.842 0.135 31 0 "[ . 1 . 2 . 3 ]"
1 26 TYR 7.278 0.150 21 0 "[ . 1 . 2 . 3 ]"
1 27 LEU 4.377 0.190 21 0 "[ . 1 . 2 . 3 ]"
1 28 VAL 2.437 0.138 15 0 "[ . 1 . 2 . 3 ]"
1 29 TYR 11.262 0.225 29 0 "[ . 1 . 2 . 3 ]"
1 30 GLN 9.742 0.192 23 0 "[ . 1 . 2 . 3 ]"
1 31 THR 6.523 0.192 23 0 "[ . 1 . 2 . 3 ]"
1 32 GLU 3.878 0.252 31 0 "[ . 1 . 2 . 3 ]"
1 33 GLN 4.625 0.181 26 0 "[ . 1 . 2 . 3 ]"
1 34 GLY 4.514 0.316 6 0 "[ . 1 . 2 . 3 ]"
1 35 GLU 7.638 0.385 26 0 "[ . 1 . 2 . 3 ]"
1 36 ALA 4.614 0.208 17 0 "[ . 1 . 2 . 3 ]"
1 37 GLY 1.629 0.156 30 0 "[ . 1 . 2 . 3 ]"
1 38 ASN 1.812 0.199 5 0 "[ . 1 . 2 . 3 ]"
1 39 ILE 13.134 0.194 26 0 "[ . 1 . 2 . 3 ]"
1 40 HIS 14.533 0.252 31 0 "[ . 1 . 2 . 3 ]"
1 41 PHE 10.551 0.293 26 0 "[ . 1 . 2 . 3 ]"
1 42 GLN 3.367 0.327 15 0 "[ . 1 . 2 . 3 ]"
1 43 GLY 2.962 0.169 25 0 "[ . 1 . 2 . 3 ]"
1 44 TYR 3.815 0.149 17 0 "[ . 1 . 2 . 3 ]"
1 45 ILE 3.643 0.203 21 0 "[ . 1 . 2 . 3 ]"
1 46 GLU 2.035 0.149 17 0 "[ . 1 . 2 . 3 ]"
1 47 MET 7.670 0.116 23 0 "[ . 1 . 2 . 3 ]"
1 48 LYS 8.331 0.162 20 0 "[ . 1 . 2 . 3 ]"
1 49 LYS 8.848 0.162 20 0 "[ . 1 . 2 . 3 ]"
1 50 ARG 2.825 0.393 28 0 "[ . 1 . 2 . 3 ]"
1 51 THR 0.426 0.051 16 0 "[ . 1 . 2 . 3 ]"
1 52 SER 1.595 0.112 22 0 "[ . 1 . 2 . 3 ]"
1 53 LEU 4.638 0.153 22 0 "[ . 1 . 2 . 3 ]"
1 54 ALA 2.513 0.134 20 0 "[ . 1 . 2 . 3 ]"
1 55 GLY 0.698 0.060 28 0 "[ . 1 . 2 . 3 ]"
1 56 MET 7.958 0.143 30 0 "[ . 1 . 2 . 3 ]"
1 57 LYS 6.612 0.131 21 0 "[ . 1 . 2 . 3 ]"
1 58 LYS 6.250 0.134 20 0 "[ . 1 . 2 . 3 ]"
1 59 LEU 8.710 0.116 23 0 "[ . 1 . 2 . 3 ]"
1 60 ILE 5.269 0.177 22 0 "[ . 1 . 2 . 3 ]"
1 61 PRO 2.535 0.172 12 0 "[ . 1 . 2 . 3 ]"
1 62 GLY 3.039 0.172 12 0 "[ . 1 . 2 . 3 ]"
1 63 ALA 3.037 0.123 18 0 "[ . 1 . 2 . 3 ]"
1 64 HIS 1.632 0.130 12 0 "[ . 1 . 2 . 3 ]"
1 65 PHE 6.912 0.177 22 0 "[ . 1 . 2 . 3 ]"
1 66 GLU 12.273 0.342 25 0 "[ . 1 . 2 . 3 ]"
1 67 LYS 8.108 0.344 26 0 "[ . 1 . 2 . 3 ]"
1 68 ARG 1.297 0.152 25 0 "[ . 1 . 2 . 3 ]"
1 69 ARG 6.978 0.342 25 0 "[ . 1 . 2 . 3 ]"
1 70 GLY 5.896 0.269 14 0 "[ . 1 . 2 . 3 ]"
1 71 THR 7.254 0.269 14 0 "[ . 1 . 2 . 3 ]"
1 72 GLN 6.629 0.213 13 0 "[ . 1 . 2 . 3 ]"
1 73 GLY 3.028 0.253 12 0 "[ . 1 . 2 . 3 ]"
1 74 GLU 4.938 0.253 12 0 "[ . 1 . 2 . 3 ]"
1 75 ALA 3.242 0.263 13 0 "[ . 1 . 2 . 3 ]"
1 76 ARG 6.704 0.157 10 0 "[ . 1 . 2 . 3 ]"
1 77 ALA 5.518 0.157 10 0 "[ . 1 . 2 . 3 ]"
1 78 TYR 2.609 0.263 13 0 "[ . 1 . 2 . 3 ]"
1 79 SER 1.630 0.225 29 0 "[ . 1 . 2 . 3 ]"
1 80 MET 6.043 0.271 9 0 "[ . 1 . 2 . 3 ]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 82 GLU 0.081 0.029 13 0 "[ . 1 . 2 . 3 ]"
1 83 ASP 0.030 0.021 4 0 "[ . 1 . 2 . 3 ]"
1 84 THR 0.150 0.049 17 0 "[ . 1 . 2 . 3 ]"
1 85 ARG 2.004 0.113 10 0 "[ . 1 . 2 . 3 ]"
1 86 LEU 6.866 0.196 24 0 "[ . 1 . 2 . 3 ]"
1 87 GLU 2.781 0.091 28 0 "[ . 1 . 2 . 3 ]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 89 PRO 5.106 0.271 9 0 "[ . 1 . 2 . 3 ]"
1 90 TRP 6.273 0.143 24 0 "[ . 1 . 2 . 3 ]"
1 91 GLU 2.577 0.145 16 0 "[ . 1 . 2 . 3 ]"
1 92 TYR 1.592 0.075 11 0 "[ . 1 . 2 . 3 ]"
1 93 GLY 7.475 0.136 16 0 "[ . 1 . 2 . 3 ]"
1 94 GLU 5.560 0.126 31 0 "[ . 1 . 2 . 3 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ARG HA 1 3 GLN H . . 3.270 2.283 2.140 2.741 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 3 GLN H 1 3 GLN HB2 . . 3.760 2.771 2.133 3.760 . 0 0 "[ . 1 . 2 . 3 ]" 1
3 1 3 GLN H 1 3 GLN HB3 . . 3.920 3.189 2.599 3.574 . 0 0 "[ . 1 . 2 . 3 ]" 1
4 1 3 GLN H 1 3 GLN HG2 . . 5.500 3.590 2.095 4.755 . 0 0 "[ . 1 . 2 . 3 ]" 1
5 1 3 GLN H 1 3 GLN HG3 . . 5.500 3.541 2.511 4.403 . 0 0 "[ . 1 . 2 . 3 ]" 1
6 1 4 VAL HA 1 5 ILE H . . 2.900 2.348 2.342 2.358 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 4 VAL HA 1 7 TRP HZ2 . . 8.400 8.225 8.108 8.402 0.002 16 0 "[ . 1 . 2 . 3 ]" 1
8 1 4 VAL HB 1 5 ILE H . . 3.140 2.524 2.496 2.545 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 4 VAL HB 1 7 TRP HZ2 . . 6.500 6.409 6.347 6.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 4 VAL MG1 1 5 ILE H . . 5.000 3.776 3.742 3.814 . 0 0 "[ . 1 . 2 . 3 ]" 1
11 1 4 VAL MG1 1 7 TRP HZ2 . . 6.530 6.560 6.531 6.596 0.066 15 0 "[ . 1 . 2 . 3 ]" 1
12 1 4 VAL MG2 1 5 ILE H . . 6.530 3.495 3.454 3.524 . 0 0 "[ . 1 . 2 . 3 ]" 1
13 1 4 VAL MG2 1 7 TRP HZ2 . . 6.530 6.568 6.549 6.598 0.068 17 0 "[ . 1 . 2 . 3 ]" 1
14 1 5 ILE H 1 5 ILE HB . . 3.020 2.580 2.468 2.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 5 ILE H 1 5 ILE HG12 . . 4.600 3.910 3.847 4.054 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 5 ILE H 1 5 ILE HG13 . . 4.880 2.971 2.756 3.150 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 5 ILE H 1 5 ILE MD . . 5.000 1.901 1.889 1.922 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 5 ILE HA 1 7 TRP HD1 . . 6.000 6.084 6.016 6.244 0.244 25 0 "[ . 1 . 2 . 3 ]" 1
19 1 5 ILE HG12 1 69 ARG QG . . 5.000 2.958 1.965 5.062 0.062 25 0 "[ . 1 . 2 . 3 ]" 1
20 1 5 ILE HG12 1 69 ARG QD . . 5.000 3.199 1.910 5.008 0.008 24 0 "[ . 1 . 2 . 3 ]" 1
21 1 5 ILE HG12 1 72 GLN H . . 5.800 5.901 5.840 5.943 0.143 16 0 "[ . 1 . 2 . 3 ]" 1
22 1 5 ILE MD 1 49 LYS HA . . 6.300 6.407 6.351 6.462 0.162 20 0 "[ . 1 . 2 . 3 ]" 1
23 1 5 ILE MD 1 69 ARG QG . . 5.000 3.812 2.429 5.067 0.067 25 0 "[ . 1 . 2 . 3 ]" 1
24 1 5 ILE MD 1 69 ARG QD . . 5.000 3.572 2.013 5.017 0.017 22 0 "[ . 1 . 2 . 3 ]" 1
25 1 6 CYS HA 1 7 TRP H . . 3.270 2.335 2.321 2.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 6 CYS HA 1 7 TRP HD1 . . 5.500 2.917 2.839 3.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 6 CYS HA 1 44 TYR QD . . 7.640 4.490 3.645 5.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 6 CYS HA 1 44 TYR QE . . 7.630 6.290 5.259 7.051 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 6 CYS HA 1 46 GLU HA . . 3.300 2.787 2.547 2.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 6 CYS HA 1 47 MET H . . 5.000 4.514 4.182 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
31 1 6 CYS HB2 1 7 TRP H . . 3.300 2.907 2.654 3.523 0.223 15 0 "[ . 1 . 2 . 3 ]" 1
32 1 6 CYS HB3 1 7 TRP H . . 4.070 3.597 2.592 4.013 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 7 TRP H 1 7 TRP HD1 . . 5.500 2.597 2.517 2.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 7 TRP H 1 8 CYS H . . 4.570 4.300 4.254 4.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 7 TRP H 1 45 ILE H . . 4.230 2.365 2.166 2.587 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 7 TRP H 1 45 ILE HB . . 5.500 3.921 3.762 4.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 7 TRP H 1 45 ILE MG . . 5.500 4.535 4.424 4.651 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 7 TRP H 1 46 GLU HA . . 5.000 3.406 3.286 3.580 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 7 TRP HA 1 7 TRP HE3 . . 5.500 3.899 3.753 3.980 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 7 TRP HA 1 7 TRP HZ3 . . 6.000 5.943 5.801 6.022 0.022 9 0 "[ . 1 . 2 . 3 ]" 1
41 1 7 TRP HA 1 8 CYS H . . 2.900 2.143 2.141 2.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 7 TRP HA 1 65 PHE QD . . 7.620 4.425 4.266 4.572 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 7 TRP HA 1 67 LYS HA . . 3.300 3.416 3.317 3.557 0.257 12 0 "[ . 1 . 2 . 3 ]" 1
44 1 7 TRP HB2 1 7 TRP HZ3 . . 6.200 6.137 6.107 6.189 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 7 TRP HB2 1 8 CYS H . . 5.500 4.395 4.344 4.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
46 1 7 TRP HB2 1 65 PHE QD . . 7.620 3.982 3.721 4.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
47 1 7 TRP HB3 1 8 CYS H . . 3.700 3.579 3.437 3.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 7 TRP HB3 1 65 PHE HZ . . 5.500 5.170 4.964 5.337 . 0 0 "[ . 1 . 2 . 3 ]" 1
49 1 7 TRP HD1 1 8 CYS H . . 6.000 5.684 5.625 5.783 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 7 TRP HD1 1 46 GLU QG . . 6.380 4.267 4.059 4.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 7 TRP HD1 1 47 MET HA . . 5.500 5.539 5.401 5.611 0.111 31 0 "[ . 1 . 2 . 3 ]" 1
52 1 7 TRP HD1 1 51 THR HB . . 6.500 6.498 6.247 6.551 0.051 16 0 "[ . 1 . 2 . 3 ]" 1
53 1 7 TRP HD1 1 56 MET HG2 . . 5.500 5.513 5.338 5.578 0.078 14 0 "[ . 1 . 2 . 3 ]" 1
54 1 7 TRP HD1 1 56 MET HG3 . . 5.500 4.771 4.531 4.930 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 7 TRP HE1 1 67 LYS H . . 8.000 8.022 7.873 8.088 0.088 8 0 "[ . 1 . 2 . 3 ]" 1
56 1 7 TRP HE3 1 45 ILE HB . . 6.000 6.029 5.928 6.079 0.079 17 0 "[ . 1 . 2 . 3 ]" 1
57 1 7 TRP HE3 1 53 LEU HA . . 5.500 3.843 3.778 3.881 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 7 TRP HE3 1 53 LEU HB3 . . 6.000 6.063 6.010 6.153 0.153 22 0 "[ . 1 . 2 . 3 ]" 1
59 1 7 TRP HE3 1 53 LEU MD1 . . 6.530 2.766 2.663 2.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 7 TRP HE3 1 53 LEU MD2 . . 6.530 4.900 4.622 5.141 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 7 TRP HE3 1 56 MET HA . . 6.500 6.401 6.140 6.529 0.029 15 0 "[ . 1 . 2 . 3 ]" 1
62 1 7 TRP HE3 1 56 MET HB2 . . 5.500 3.844 3.556 3.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 7 TRP HE3 1 56 MET HB3 . . 5.500 4.443 4.050 4.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 7 TRP HE3 1 56 MET HG2 . . 5.500 4.720 4.426 4.780 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 7 TRP HE3 1 56 MET HG3 . . 5.500 2.999 2.833 3.202 . 0 0 "[ . 1 . 2 . 3 ]" 1
66 1 7 TRP HE3 1 65 PHE HA . . 5.500 4.953 4.874 5.047 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 7 TRP HE3 1 65 PHE HB3 . . 5.220 3.066 2.907 3.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 7 TRP HE3 1 65 PHE QD . . 7.620 2.025 1.958 2.155 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 7 TRP HE3 1 65 PHE HZ . . 6.000 5.824 5.721 5.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
70 1 7 TRP HE3 1 66 GLU H . . 5.000 3.823 3.695 3.906 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 7 TRP HE3 1 66 GLU HA . . 5.500 5.321 5.222 5.363 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 7 TRP HE3 1 67 LYS HA . . 5.500 4.400 3.929 4.911 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 7 TRP HE3 1 67 LYS HB3 . . 5.500 4.559 3.132 5.136 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 7 TRP HE3 1 67 LYS QD . . 6.380 4.978 3.706 5.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 7 TRP HZ2 1 51 THR HB . . 5.500 4.367 4.262 4.434 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 7 TRP HZ2 1 52 SER HA . . 5.500 3.091 3.038 3.206 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 7 TRP HZ2 1 52 SER HB2 . . 5.500 5.532 5.507 5.612 0.112 22 0 "[ . 1 . 2 . 3 ]" 1
78 1 7 TRP HZ2 1 52 SER HB3 . . 5.500 5.353 5.290 5.501 0.001 22 0 "[ . 1 . 2 . 3 ]" 1
79 1 7 TRP HZ2 1 53 LEU H . . 5.500 4.472 4.445 4.566 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 7 TRP HZ2 1 53 LEU HA . . 5.500 4.610 4.543 4.683 . 0 0 "[ . 1 . 2 . 3 ]" 1
81 1 7 TRP HZ2 1 53 LEU HB2 . . 5.500 5.527 5.500 5.577 0.077 18 0 "[ . 1 . 2 . 3 ]" 1
82 1 7 TRP HZ2 1 56 MET HG2 . . 5.500 5.350 5.233 5.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 7 TRP HZ2 1 56 MET HG3 . . 5.500 4.830 4.534 5.533 0.033 30 0 "[ . 1 . 2 . 3 ]" 1
84 1 7 TRP HZ2 1 67 LYS QG . . 6.380 3.298 2.731 4.924 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 7 TRP HZ2 1 67 LYS QD . . 6.380 3.333 2.305 5.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 7 TRP HZ2 1 67 LYS QE . . 6.380 3.444 2.024 5.830 . 0 0 "[ . 1 . 2 . 3 ]" 1
87 1 7 TRP HZ3 1 53 LEU HA . . 5.380 2.231 2.091 2.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 7 TRP HZ3 1 53 LEU HB2 . . 5.500 2.239 2.167 2.330 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 7 TRP HZ3 1 53 LEU HB3 . . 5.500 3.833 3.782 3.882 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 7 TRP HZ3 1 53 LEU MD1 . . 5.000 2.034 1.899 2.231 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 7 TRP HZ3 1 53 LEU MD2 . . 6.530 3.567 3.353 3.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 7 TRP HZ3 1 56 MET HB2 . . 5.500 4.149 3.729 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 7 TRP HZ3 1 56 MET HG2 . . 5.500 5.258 4.970 5.360 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 7 TRP HZ3 1 56 MET HG3 . . 5.500 3.958 3.763 4.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 7 TRP HZ3 1 65 PHE HA . . 6.400 6.292 6.151 6.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 7 TRP HZ3 1 65 PHE HB3 . . 5.500 3.698 3.556 3.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
97 1 7 TRP HZ3 1 66 GLU HA . . 5.500 5.578 5.517 5.667 0.167 17 0 "[ . 1 . 2 . 3 ]" 1
98 1 7 TRP HZ3 1 67 LYS H . . 5.500 4.626 4.476 4.795 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 7 TRP HZ3 1 67 LYS HA . . 5.500 5.144 4.646 5.718 0.218 25 0 "[ . 1 . 2 . 3 ]" 1
100 1 7 TRP HZ3 1 67 LYS HB3 . . 5.500 3.838 3.095 4.236 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 7 TRP HZ3 1 67 LYS QD . . 6.380 4.061 2.165 5.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 7 TRP HZ3 1 67 LYS QE . . 6.380 5.192 3.817 6.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
103 1 7 TRP HH2 1 52 SER HA . . 5.500 2.585 2.511 2.667 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 7 TRP HH2 1 52 SER HB2 . . 5.500 4.010 3.972 4.069 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 7 TRP HH2 1 53 LEU HA . . 4.940 2.857 2.706 2.931 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 7 TRP HH2 1 53 LEU HB2 . . 5.250 3.117 3.081 3.180 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 7 TRP HH2 1 53 LEU HB3 . . 4.690 4.263 4.153 4.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 7 TRP HH2 1 53 LEU MD1 . . 5.000 3.905 3.753 4.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 7 TRP HH2 1 53 LEU MD2 . . 5.000 4.922 4.795 5.012 0.012 31 0 "[ . 1 . 2 . 3 ]" 1
110 1 7 TRP HH2 1 56 MET HB2 . . 5.500 5.431 4.986 5.560 0.060 28 0 "[ . 1 . 2 . 3 ]" 1
111 1 7 TRP HH2 1 56 MET HG2 . . 5.500 5.545 5.340 5.610 0.110 29 0 "[ . 1 . 2 . 3 ]" 1
112 1 7 TRP HH2 1 56 MET HG3 . . 5.500 4.763 4.528 5.541 0.041 30 0 "[ . 1 . 2 . 3 ]" 1
113 1 7 TRP HH2 1 67 LYS QD . . 6.380 3.157 1.995 4.723 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 7 TRP HH2 1 67 LYS QE . . 6.380 4.055 2.479 5.158 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 8 CYS H 1 8 CYS HB3 . . 3.550 2.977 2.364 3.693 0.143 23 0 "[ . 1 . 2 . 3 ]" 1
116 1 8 CYS H 1 9 PHE H . . 5.500 4.394 4.353 4.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 8 CYS H 1 66 GLU H . . 4.420 3.660 3.550 3.740 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 8 CYS H 1 67 LYS HA . . 5.000 3.984 3.741 4.347 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 8 CYS HA 1 9 PHE H . . 2.900 2.139 2.138 2.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 8 CYS HA 1 44 TYR HA . . 5.000 2.696 2.261 3.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 8 CYS HA 1 44 TYR QD . . 7.640 5.197 3.332 5.559 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 8 CYS HA 1 44 TYR QE . . 7.630 7.135 3.537 7.641 0.011 29 0 "[ . 1 . 2 . 3 ]" 1
123 1 8 CYS HA 1 45 ILE H . . 4.480 4.010 3.745 4.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 8 CYS HB2 1 9 PHE H . . 4.820 3.632 3.337 4.517 . 0 0 "[ . 1 . 2 . 3 ]" 1
125 1 8 CYS HB3 1 9 PHE H . . 5.280 4.174 3.521 4.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 8 CYS HB3 1 44 TYR QD . . 7.640 5.482 3.986 5.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 8 CYS HB3 1 44 TYR QE . . 7.630 7.257 3.040 7.763 0.133 17 0 "[ . 1 . 2 . 3 ]" 1
128 1 9 PHE H 1 10 THR H . . 5.500 4.436 4.416 4.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 9 PHE H 1 43 GLY H . . 4.010 3.478 3.268 3.889 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 9 PHE H 1 44 TYR HA . . 5.000 3.882 3.402 4.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 9 PHE H 1 65 PHE QE . . 7.620 4.977 4.818 5.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
132 1 9 PHE H 1 66 GLU H . . 5.000 5.028 4.876 5.092 0.092 20 0 "[ . 1 . 2 . 3 ]" 1
133 1 9 PHE HA 1 10 THR H . . 2.900 2.407 2.386 2.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 9 PHE HA 1 10 THR MG . . 6.530 5.348 5.235 5.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 9 PHE HA 1 45 ILE MD . . 6.530 6.424 6.076 6.549 0.019 31 0 "[ . 1 . 2 . 3 ]" 1
136 1 9 PHE HA 1 63 ALA MB . . 5.000 4.988 4.882 5.058 0.058 26 0 "[ . 1 . 2 . 3 ]" 1
137 1 9 PHE HA 1 64 HIS H . . 5.500 5.065 4.926 5.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 9 PHE HA 1 65 PHE HA . . 3.300 2.399 2.273 2.485 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 9 PHE HA 1 65 PHE HB2 . . 5.500 5.270 5.157 5.350 . 0 0 "[ . 1 . 2 . 3 ]" 1
140 1 9 PHE HA 1 65 PHE QD . . 7.620 4.354 4.288 4.436 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 9 PHE HA 1 65 PHE QE . . 7.620 5.127 5.085 5.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
142 1 9 PHE HA 1 66 GLU H . . 4.260 3.689 3.580 3.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 9 PHE QB 1 63 ALA MB . . 7.000 3.261 3.126 3.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 9 PHE HB2 1 10 THR H . . 4.500 2.602 2.526 2.705 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 9 PHE HB2 1 65 PHE HA . . 5.500 2.389 2.286 2.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 9 PHE HB2 1 65 PHE QD . . 7.620 2.860 2.784 2.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 9 PHE HB2 1 65 PHE QE . . 7.620 3.361 3.307 3.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 9 PHE HB2 1 65 PHE HZ . . 5.500 4.258 4.160 4.329 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 9 PHE HB3 1 10 THR H . . 4.000 3.956 3.911 4.012 0.012 16 0 "[ . 1 . 2 . 3 ]" 1
150 1 9 PHE HB3 1 65 PHE HA . . 5.500 2.647 2.547 2.760 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 9 PHE HB3 1 65 PHE QD . . 7.620 2.895 2.835 2.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 9 PHE HB3 1 65 PHE QE . . 7.250 3.063 3.006 3.108 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 9 PHE HB3 1 65 PHE HZ . . 5.500 3.679 3.595 3.813 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 9 PHE QD 1 10 THR H . . 5.500 2.982 2.575 3.208 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 9 PHE QD 1 10 THR HA . . 7.620 4.034 3.576 4.251 . 0 0 "[ . 1 . 2 . 3 ]" 1
156 1 9 PHE QD 1 11 LEU HG . . 7.620 6.099 4.566 6.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 9 PHE QD 1 18 LEU MD1 . . 8.650 4.548 4.377 4.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 9 PHE QD 1 18 LEU MD2 . . 5.500 5.044 4.831 5.220 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 9 PHE QD 1 27 LEU MD1 . . 8.650 5.700 5.364 5.944 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 9 PHE QD 1 29 TYR HA . . 7.620 6.401 6.053 6.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 9 PHE QD 1 29 TYR HB3 . . 7.620 6.061 5.563 6.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 9 PHE QD 1 41 PHE HB2 . . 7.620 5.855 5.342 6.290 . 0 0 "[ . 1 . 2 . 3 ]" 1
163 1 9 PHE QD 1 41 PHE HB3 . . 7.620 6.073 5.659 6.416 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 9 PHE QD 1 60 ILE HB . . 7.280 4.513 3.859 5.014 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 9 PHE QD 1 60 ILE HG12 . . 7.620 5.493 4.774 5.931 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 9 PHE QD 1 60 ILE MG . . 5.000 3.834 2.583 4.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 9 PHE QD 1 60 ILE MD . . 8.650 4.641 4.444 4.882 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 9 PHE QD 1 62 GLY H . . 7.620 6.959 6.386 7.429 . 0 0 "[ . 1 . 2 . 3 ]" 1
169 1 9 PHE QD 1 63 ALA H . . 5.500 5.519 5.190 5.623 0.123 18 0 "[ . 1 . 2 . 3 ]" 1
170 1 9 PHE QD 1 63 ALA HA . . 7.620 4.692 4.332 4.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 9 PHE QD 1 65 PHE QE . . 5.500 2.763 2.596 2.995 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 9 PHE QE 1 10 THR H . . 7.620 4.880 4.602 5.006 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 9 PHE QE 1 10 THR HA . . 6.000 4.643 4.219 4.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 9 PHE QE 1 11 LEU H . . 7.620 3.975 3.500 4.317 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 9 PHE QE 1 11 LEU HG . . 7.620 4.631 3.656 4.917 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 9 PHE QE 1 18 LEU MD1 . . 5.000 2.774 2.571 2.937 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 9 PHE QE 1 18 LEU MD2 . . 5.000 3.259 3.057 3.425 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 9 PHE QE 1 27 LEU MD1 . . 8.370 4.158 3.693 4.446 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 9 PHE QE 1 29 TYR HA . . 7.620 5.008 4.641 5.330 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 9 PHE QE 1 29 TYR HB3 . . 7.620 4.008 3.489 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 9 PHE QE 1 41 PHE HA . . 7.620 6.288 5.947 6.628 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 9 PHE QE 1 41 PHE HB2 . . 7.620 4.202 3.514 4.639 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 9 PHE QE 1 41 PHE HB3 . . 7.620 4.494 4.045 4.925 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 9 PHE QE 1 41 PHE QD . . 9.740 4.922 4.258 5.437 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 9 PHE QE 1 41 PHE QE . . 9.740 6.759 6.151 7.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
186 1 9 PHE QE 1 56 MET HG3 . . 7.620 7.657 7.340 7.751 0.131 23 0 "[ . 1 . 2 . 3 ]" 1
187 1 9 PHE QE 1 60 ILE HB . . 7.620 3.954 3.582 4.479 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 9 PHE QE 1 60 ILE HG12 . . 7.620 3.961 3.441 4.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 9 PHE QE 1 60 ILE MG . . 5.000 2.928 1.905 3.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 9 PHE QE 1 60 ILE MD . . 5.000 3.517 3.036 3.970 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 9 PHE QE 1 63 ALA HA . . 7.620 5.673 5.291 5.997 . 0 0 "[ . 1 . 2 . 3 ]" 1
192 1 9 PHE QE 1 65 PHE H . . 7.620 7.654 7.557 7.709 0.089 4 0 "[ . 1 . 2 . 3 ]" 1
193 1 9 PHE QE 1 65 PHE QD . . 9.740 5.126 5.048 5.253 . 0 0 "[ . 1 . 2 . 3 ]" 1
194 1 9 PHE QE 1 65 PHE QE . . 5.000 3.658 3.532 3.921 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 9 PHE QE 1 66 GLU H . . 7.620 7.626 7.491 7.698 0.078 25 0 "[ . 1 . 2 . 3 ]" 1
196 1 9 PHE HZ 1 11 LEU HB2 . . 5.500 3.882 3.534 4.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
197 1 9 PHE HZ 1 11 LEU HB3 . . 5.500 4.407 4.119 5.319 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 9 PHE HZ 1 11 LEU HG . . 6.000 6.066 5.837 6.122 0.122 29 0 "[ . 1 . 2 . 3 ]" 1
199 1 9 PHE HZ 1 18 LEU QB . . 6.380 4.376 4.219 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 9 PHE HZ 1 18 LEU MD1 . . 5.290 1.943 1.882 2.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
201 1 9 PHE HZ 1 18 LEU MD2 . . 6.000 2.407 2.101 2.708 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 9 PHE HZ 1 27 LEU MD1 . . 6.160 4.847 4.328 5.142 . 0 0 "[ . 1 . 2 . 3 ]" 1
203 1 9 PHE HZ 1 29 TYR HA . . 6.000 6.111 6.015 6.200 0.200 29 0 "[ . 1 . 2 . 3 ]" 1
204 1 9 PHE HZ 1 29 TYR HB2 . . 5.500 4.419 4.287 4.668 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 9 PHE HZ 1 29 TYR HB3 . . 5.500 4.627 4.176 4.937 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 9 PHE HZ 1 41 PHE HB3 . . 5.500 3.941 3.353 4.461 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 9 PHE HZ 1 41 PHE QD . . 7.620 4.438 3.853 4.987 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 9 PHE HZ 1 43 GLY QA . . 6.380 5.953 5.638 6.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 9 PHE HZ 1 60 ILE HB . . 5.500 5.161 4.785 5.523 0.023 7 0 "[ . 1 . 2 . 3 ]" 1
210 1 9 PHE HZ 1 60 ILE MG . . 5.000 4.365 3.529 4.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 9 PHE HZ 1 60 ILE MD . . 5.000 3.284 2.750 3.794 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 9 PHE HZ 1 65 PHE QE . . 5.000 4.930 4.797 5.060 0.060 16 0 "[ . 1 . 2 . 3 ]" 1
213 1 10 THR H 1 10 THR HB . . 3.610 2.906 2.777 3.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 10 THR H 1 11 LEU H . . 5.500 4.262 4.204 4.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
215 1 10 THR H 1 63 ALA MB . . 5.000 3.616 3.362 3.807 . 0 0 "[ . 1 . 2 . 3 ]" 1
216 1 10 THR H 1 64 HIS H . . 3.920 3.184 3.005 3.260 . 0 0 "[ . 1 . 2 . 3 ]" 1
217 1 10 THR H 1 64 HIS QB . . 5.000 2.892 2.784 3.061 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 10 THR H 1 64 HIS HB2 . . 5.500 4.338 4.286 4.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 10 THR H 1 65 PHE HA . . 4.200 3.842 3.734 3.940 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 10 THR H 1 65 PHE QE . . 5.300 5.298 5.241 5.365 0.065 18 0 "[ . 1 . 2 . 3 ]" 1
221 1 10 THR H 1 65 PHE HZ . . 6.500 6.558 6.517 6.610 0.110 10 0 "[ . 1 . 2 . 3 ]" 1
222 1 10 THR HA 1 11 LEU H . . 2.900 2.152 2.142 2.212 . 0 0 "[ . 1 . 2 . 3 ]" 1
223 1 10 THR HA 1 42 GLN H . . 5.470 5.275 5.088 5.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
224 1 10 THR HA 1 42 GLN HA . . 3.300 2.942 2.833 3.099 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 10 THR HA 1 43 GLY H . . 4.300 4.375 4.274 4.469 0.169 25 0 "[ . 1 . 2 . 3 ]" 1
226 1 10 THR HB 1 11 LEU H . . 4.000 4.050 3.875 4.163 0.163 14 0 "[ . 1 . 2 . 3 ]" 1
227 1 10 THR HB 1 64 HIS H . . 5.500 4.023 3.761 4.156 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 10 THR HB 1 64 HIS HB2 . . 4.000 4.051 4.001 4.130 0.130 12 0 "[ . 1 . 2 . 3 ]" 1
229 1 10 THR HB 1 64 HIS HB3 . . 5.000 3.034 2.883 3.233 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 10 THR MG 1 11 LEU H . . 2.700 2.587 2.209 2.719 0.019 21 0 "[ . 1 . 2 . 3 ]" 1
231 1 10 THR MG 1 12 ASN H . . 6.530 4.458 4.010 4.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 10 THR MG 1 40 HIS HB2 . . 5.500 3.076 2.839 3.240 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 10 THR MG 1 40 HIS HB3 . . 5.500 4.125 3.838 4.380 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 10 THR MG 1 40 HIS HD2 . . 5.000 5.053 4.905 5.137 0.137 24 0 "[ . 1 . 2 . 3 ]" 1
235 1 10 THR MG 1 41 PHE H . . 5.000 4.210 3.800 4.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 10 THR MG 1 42 GLN HA . . 5.000 3.678 3.433 3.966 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 10 THR MG 1 43 GLY H . . 6.530 5.189 4.960 5.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 10 THR MG 1 64 HIS H . . 6.530 5.064 4.749 5.295 . 0 0 "[ . 1 . 2 . 3 ]" 1
239 1 11 LEU H 1 11 LEU HB2 . . 3.700 2.935 2.586 3.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 11 LEU H 1 11 LEU HB3 . . 3.730 2.587 2.417 3.064 . 0 0 "[ . 1 . 2 . 3 ]" 1
241 1 11 LEU H 1 12 ASN H . . 5.500 4.331 4.210 4.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
242 1 11 LEU H 1 41 PHE H . . 4.110 3.149 2.791 3.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
243 1 11 LEU H 1 41 PHE HB2 . . 5.500 3.539 3.101 4.004 . 0 0 "[ . 1 . 2 . 3 ]" 1
244 1 11 LEU H 1 41 PHE HB3 . . 5.040 4.443 4.145 4.667 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 11 LEU H 1 42 GLN HA . . 5.000 3.735 3.452 3.963 . 0 0 "[ . 1 . 2 . 3 ]" 1
246 1 11 LEU H 1 42 GLN HE22 . . 5.500 5.485 5.216 5.597 0.097 24 0 "[ . 1 . 2 . 3 ]" 1
247 1 11 LEU H 1 65 PHE QE . . 7.620 6.895 6.708 7.377 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 11 LEU HA 1 12 ASN H . . 2.900 2.142 2.139 2.157 . 0 0 "[ . 1 . 2 . 3 ]" 1
249 1 11 LEU HA 1 41 PHE H . . 5.000 4.542 4.344 4.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 11 LEU HA 1 41 PHE QD . . 7.620 6.224 5.599 6.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 11 LEU HA 1 63 ALA HA . . 5.000 3.790 3.195 4.111 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 11 LEU HA 1 63 ALA MB . . 5.000 2.747 2.430 3.025 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 11 LEU HA 1 64 HIS H . . 5.000 3.949 3.674 4.232 . 0 0 "[ . 1 . 2 . 3 ]" 1
254 1 11 LEU QB 1 12 ASN H . . 5.500 3.789 3.569 3.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 11 LEU HB2 1 12 ASN H . . 4.910 4.293 4.098 4.475 . 0 0 "[ . 1 . 2 . 3 ]" 1
256 1 11 LEU HB2 1 41 PHE H . . 5.500 4.228 3.500 4.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
257 1 11 LEU HG 1 12 ASN H . . 5.250 3.574 3.173 3.859 . 0 0 "[ . 1 . 2 . 3 ]" 1
258 1 11 LEU HG 1 41 PHE H . . 5.040 3.711 3.122 5.207 0.167 31 0 "[ . 1 . 2 . 3 ]" 1
259 1 11 LEU MD1 1 60 ILE MG . . 5.000 2.471 1.696 3.165 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 11 LEU MD1 1 63 ALA H . . 5.000 4.712 4.165 5.029 0.029 29 0 "[ . 1 . 2 . 3 ]" 1
261 1 11 LEU MD1 1 63 ALA HA . . 5.000 3.396 3.092 4.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
262 1 11 LEU MD1 1 63 ALA MB . . 3.300 2.151 1.805 2.683 . 0 0 "[ . 1 . 2 . 3 ]" 1
263 1 11 LEU MD1 1 64 HIS H . . 5.000 4.489 4.048 5.046 0.046 31 0 "[ . 1 . 2 . 3 ]" 1
264 1 11 LEU MD2 1 18 LEU MD1 . . 5.000 3.844 3.175 5.029 0.029 31 0 "[ . 1 . 2 . 3 ]" 1
265 1 11 LEU MD2 1 18 LEU MD2 . . 5.000 2.532 2.070 3.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 11 LEU MD2 1 41 PHE H . . 5.000 4.131 3.816 4.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
267 1 11 LEU MD2 1 41 PHE QD . . 5.000 3.062 1.944 4.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
268 1 11 LEU MD2 1 41 PHE QE . . 5.500 4.175 2.910 5.192 . 0 0 "[ . 1 . 2 . 3 ]" 1
269 1 11 LEU MD2 1 60 ILE MG . . 3.300 2.080 1.869 3.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
270 1 12 ASN H 1 13 ASN H . . 5.190 4.482 4.411 4.519 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 12 ASN H 1 63 ALA HA . . 4.500 4.501 4.115 4.580 0.080 30 0 "[ . 1 . 2 . 3 ]" 1
272 1 12 ASN HA 1 13 ASN H . . 2.900 2.178 2.151 2.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 12 ASN HA 1 40 HIS H . . 5.500 5.062 4.944 5.190 . 0 0 "[ . 1 . 2 . 3 ]" 1
274 1 12 ASN HA 1 40 HIS HA . . 5.000 2.838 2.708 2.944 . 0 0 "[ . 1 . 2 . 3 ]" 1
275 1 12 ASN HA 1 40 HIS HB2 . . 5.000 3.011 2.783 3.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
276 1 12 ASN HA 1 40 HIS HB3 . . 5.000 2.022 1.940 2.429 . 0 0 "[ . 1 . 2 . 3 ]" 1
277 1 12 ASN HA 1 41 PHE H . . 3.980 3.882 3.703 3.996 0.016 17 0 "[ . 1 . 2 . 3 ]" 1
278 1 12 ASN QB 1 13 ASN H . . 3.300 3.050 2.964 3.195 . 0 0 "[ . 1 . 2 . 3 ]" 1
279 1 13 ASN H 1 13 ASN HB2 . . 3.700 3.197 2.939 3.726 0.026 24 0 "[ . 1 . 2 . 3 ]" 1
280 1 13 ASN H 1 14 PRO HD2 . . 4.200 2.962 2.881 3.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
281 1 13 ASN H 1 14 PRO HD3 . . 4.200 2.580 2.552 2.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
282 1 13 ASN H 1 39 ILE H . . 5.000 4.482 4.165 4.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
283 1 13 ASN H 1 39 ILE HA . . 5.000 5.059 4.993 5.153 0.153 15 0 "[ . 1 . 2 . 3 ]" 1
284 1 13 ASN H 1 40 HIS H . . 5.000 4.912 4.824 4.979 . 0 0 "[ . 1 . 2 . 3 ]" 1
285 1 13 ASN H 1 40 HIS HA . . 3.790 3.021 2.864 3.184 . 0 0 "[ . 1 . 2 . 3 ]" 1
286 1 13 ASN H 1 40 HIS HB2 . . 5.000 4.505 4.307 4.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 13 ASN H 1 40 HIS HB3 . . 5.500 3.094 2.930 3.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
288 1 13 ASN HA 1 39 ILE H . . 5.000 3.765 3.387 4.195 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 14 PRO HA 1 15 LEU H . . 2.800 2.279 2.193 2.471 . 0 0 "[ . 1 . 2 . 3 ]" 1
290 1 14 PRO HA 1 16 SER H . . 3.980 3.749 3.613 4.005 0.025 14 0 "[ . 1 . 2 . 3 ]" 1
291 1 14 PRO HA 1 41 PHE QD . . 7.620 5.578 4.656 6.275 . 0 0 "[ . 1 . 2 . 3 ]" 1
292 1 14 PRO HA 1 41 PHE QE . . 7.620 5.749 4.707 6.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
293 1 14 PRO QB 1 16 SER H . . 3.300 2.401 2.286 2.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
294 1 14 PRO HB2 1 15 LEU H . . 3.240 2.996 2.442 3.275 0.035 12 0 "[ . 1 . 2 . 3 ]" 1
295 1 14 PRO HB2 1 16 SER H . . 3.360 2.424 2.302 2.599 . 0 0 "[ . 1 . 2 . 3 ]" 1
296 1 14 PRO HB2 1 41 PHE QD . . 7.620 4.145 3.038 4.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
297 1 14 PRO HB2 1 41 PHE QE . . 7.340 3.547 2.212 4.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
298 1 14 PRO HB3 1 41 PHE QD . . 7.620 3.583 2.467 4.379 . 0 0 "[ . 1 . 2 . 3 ]" 1
299 1 14 PRO HB3 1 41 PHE QE . . 7.620 4.037 2.951 5.012 . 0 0 "[ . 1 . 2 . 3 ]" 1
300 1 14 PRO HG2 1 16 SER H . . 5.000 4.207 4.043 4.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 14 PRO HG2 1 41 PHE H . . 5.500 5.275 5.062 5.518 0.018 31 0 "[ . 1 . 2 . 3 ]" 1
302 1 14 PRO HG2 1 41 PHE QD . . 5.500 4.114 3.681 4.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
303 1 14 PRO HG2 1 41 PHE QE . . 7.620 3.376 3.100 3.932 . 0 0 "[ . 1 . 2 . 3 ]" 1
304 1 14 PRO HG2 1 41 PHE HZ . . 5.500 4.073 3.099 4.931 . 0 0 "[ . 1 . 2 . 3 ]" 1
305 1 14 PRO HG3 1 39 ILE H . . 5.500 5.534 5.252 5.580 0.080 5 0 "[ . 1 . 2 . 3 ]" 1
306 1 14 PRO HG3 1 41 PHE H . . 5.500 3.580 3.374 3.830 . 0 0 "[ . 1 . 2 . 3 ]" 1
307 1 14 PRO HG3 1 41 PHE QD . . 7.620 2.787 2.237 3.360 . 0 0 "[ . 1 . 2 . 3 ]" 1
308 1 14 PRO HG3 1 41 PHE QE . . 7.620 3.012 2.787 3.493 . 0 0 "[ . 1 . 2 . 3 ]" 1
309 1 14 PRO HD2 1 40 HIS HA . . 5.000 3.376 3.258 3.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
310 1 14 PRO HD3 1 40 HIS HA . . 5.000 2.392 2.222 2.556 . 0 0 "[ . 1 . 2 . 3 ]" 1
311 1 15 LEU H 1 15 LEU MD1 . . 4.700 3.279 2.171 4.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
312 1 15 LEU H 1 15 LEU MD2 . . 5.230 4.114 2.415 4.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
313 1 15 LEU H 1 16 SER H . . 2.830 2.241 1.910 2.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
314 1 15 LEU HA 1 16 SER H . . 3.390 3.310 3.291 3.395 0.005 30 0 "[ . 1 . 2 . 3 ]" 1
315 1 15 LEU QB 1 16 SER H . . 3.300 3.282 3.128 3.311 0.011 11 0 "[ . 1 . 2 . 3 ]" 1
316 1 16 SER H 1 17 PRO HD2 . . 5.000 4.789 4.789 4.792 . 0 0 "[ . 1 . 2 . 3 ]" 1
317 1 16 SER HA 1 17 PRO QG . . 5.000 4.071 4.064 4.076 . 0 0 "[ . 1 . 2 . 3 ]" 1
318 1 16 SER HA 1 17 PRO HD2 . . 3.300 2.508 2.497 2.516 . 0 0 "[ . 1 . 2 . 3 ]" 1
319 1 16 SER HA 1 17 PRO HD3 . . 3.300 2.346 2.340 2.350 . 0 0 "[ . 1 . 2 . 3 ]" 1
320 1 16 SER QB 1 17 PRO QG . . 5.500 3.648 3.422 4.139 . 0 0 "[ . 1 . 2 . 3 ]" 1
321 1 16 SER HB2 1 17 PRO HD2 . . 5.500 2.262 2.001 3.663 . 0 0 "[ . 1 . 2 . 3 ]" 1
322 1 16 SER HB2 1 17 PRO HD3 . . 5.000 3.560 3.275 4.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
323 1 16 SER HB3 1 17 PRO HD2 . . 5.500 3.091 2.150 3.665 . 0 0 "[ . 1 . 2 . 3 ]" 1
324 1 16 SER HB3 1 17 PRO HD3 . . 5.000 4.165 3.570 4.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
325 1 17 PRO HA 1 18 LEU H . . 2.830 2.274 2.249 2.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
326 1 17 PRO HA 1 41 PHE QD . . 7.620 4.005 3.705 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
327 1 17 PRO HA 1 41 PHE QE . . 5.500 2.325 1.990 2.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
328 1 17 PRO HA 1 41 PHE HZ . . 4.820 3.241 3.012 3.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
329 1 17 PRO HB2 1 18 LEU H . . 3.520 2.969 2.738 3.050 . 0 0 "[ . 1 . 2 . 3 ]" 1
330 1 17 PRO HB2 1 41 PHE QD . . 7.620 5.991 5.460 6.436 . 0 0 "[ . 1 . 2 . 3 ]" 1
331 1 17 PRO HB2 1 41 PHE QE . . 7.620 4.353 3.713 5.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
332 1 17 PRO HB3 1 18 LEU H . . 3.610 3.648 3.519 3.695 0.085 12 0 "[ . 1 . 2 . 3 ]" 1
333 1 17 PRO HB3 1 41 PHE QE . . 7.620 3.674 3.100 4.338 . 0 0 "[ . 1 . 2 . 3 ]" 1
334 1 17 PRO HG2 1 18 LEU H . . 5.500 4.669 4.514 4.719 . 0 0 "[ . 1 . 2 . 3 ]" 1
335 1 17 PRO HG3 1 18 LEU H . . 5.500 5.334 5.179 5.386 . 0 0 "[ . 1 . 2 . 3 ]" 1
336 1 17 PRO HG3 1 41 PHE HZ . . 5.500 5.557 5.521 5.608 0.108 12 0 "[ . 1 . 2 . 3 ]" 1
337 1 17 PRO HD3 1 18 LEU H . . 5.500 5.585 5.559 5.591 0.091 12 0 "[ . 1 . 2 . 3 ]" 1
338 1 18 LEU H 1 18 LEU HG . . 3.760 2.081 1.948 2.328 . 0 0 "[ . 1 . 2 . 3 ]" 1
339 1 18 LEU H 1 18 LEU MD2 . . 5.130 3.127 2.896 3.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
340 1 18 LEU H 1 19 SER H . . 4.700 4.591 4.546 4.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
341 1 18 LEU H 1 29 TYR QD . . 7.640 4.468 4.198 4.705 . 0 0 "[ . 1 . 2 . 3 ]" 1
342 1 18 LEU H 1 41 PHE QE . . 5.500 3.148 2.522 3.988 . 0 0 "[ . 1 . 2 . 3 ]" 1
343 1 18 LEU H 1 41 PHE HZ . . 4.850 4.887 4.857 4.921 0.071 15 0 "[ . 1 . 2 . 3 ]" 1
344 1 18 LEU HA 1 19 SER H . . 2.900 2.462 2.399 2.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
345 1 18 LEU QB 1 19 SER H . . 3.300 2.313 2.248 2.406 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 18 LEU QB 1 29 TYR QD . . 8.520 3.263 2.697 3.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 18 LEU QB 1 29 TYR QE . . 8.510 3.407 2.815 4.100 . 0 0 "[ . 1 . 2 . 3 ]" 1
348 1 18 LEU HG 1 19 SER H . . 5.130 4.912 4.830 4.994 . 0 0 "[ . 1 . 2 . 3 ]" 1
349 1 18 LEU MD1 1 19 SER H . . 6.530 4.396 4.248 4.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 18 LEU MD1 1 27 LEU MD1 . . 5.000 2.539 1.896 3.122 . 0 0 "[ . 1 . 2 . 3 ]" 1
351 1 18 LEU MD1 1 27 LEU MD2 . . 5.000 3.564 3.134 3.922 . 0 0 "[ . 1 . 2 . 3 ]" 1
352 1 18 LEU MD1 1 29 TYR HA . . 6.530 4.229 3.865 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
353 1 18 LEU MD1 1 29 TYR QD . . 8.670 2.824 2.534 3.171 . 0 0 "[ . 1 . 2 . 3 ]" 1
354 1 18 LEU MD1 1 29 TYR QE . . 8.660 3.937 3.615 4.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
355 1 18 LEU MD1 1 41 PHE QD . . 5.000 2.905 2.297 3.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
356 1 18 LEU MD1 1 41 PHE QE . . 8.650 4.459 3.875 5.243 . 0 0 "[ . 1 . 2 . 3 ]" 1
357 1 18 LEU MD1 1 41 PHE HZ . . 6.530 6.144 5.793 6.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
358 1 18 LEU MD1 1 59 LEU MD2 . . 5.500 5.023 4.676 5.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
359 1 18 LEU MD1 1 60 ILE MG . . 5.000 4.712 4.359 5.004 0.004 26 0 "[ . 1 . 2 . 3 ]" 1
360 1 18 LEU MD1 1 60 ILE MD . . 3.300 3.041 2.355 3.308 0.008 4 0 "[ . 1 . 2 . 3 ]" 1
361 1 18 LEU MD2 1 19 SER H . . 4.640 3.598 3.279 3.853 . 0 0 "[ . 1 . 2 . 3 ]" 1
362 1 18 LEU MD2 1 27 LEU MD2 . . 5.500 4.549 4.052 5.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
363 1 18 LEU MD2 1 29 TYR QD . . 8.670 4.785 4.451 5.126 . 0 0 "[ . 1 . 2 . 3 ]" 1
364 1 18 LEU MD2 1 29 TYR QE . . 8.660 5.148 4.776 5.661 . 0 0 "[ . 1 . 2 . 3 ]" 1
365 1 18 LEU MD2 1 41 PHE QD . . 5.000 3.059 2.064 3.663 . 0 0 "[ . 1 . 2 . 3 ]" 1
366 1 18 LEU MD2 1 41 PHE QE . . 8.650 3.965 3.002 4.551 . 0 0 "[ . 1 . 2 . 3 ]" 1
367 1 18 LEU MD2 1 41 PHE HZ . . 5.940 5.772 5.139 5.950 0.010 15 0 "[ . 1 . 2 . 3 ]" 1
368 1 18 LEU MD2 1 60 ILE MG . . 3.300 3.225 3.048 3.324 0.024 10 0 "[ . 1 . 2 . 3 ]" 1
369 1 18 LEU MD2 1 60 ILE MD . . 3.300 2.134 1.857 2.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
370 1 19 SER H 1 20 LEU H . . 5.500 4.383 4.340 4.419 . 0 0 "[ . 1 . 2 . 3 ]" 1
371 1 19 SER HA 1 20 LEU H . . 2.680 2.343 2.256 2.429 . 0 0 "[ . 1 . 2 . 3 ]" 1
372 1 19 SER QB 1 20 LEU H . . 2.900 2.557 2.350 2.768 . 0 0 "[ . 1 . 2 . 3 ]" 1
373 1 20 LEU H 1 20 LEU HB2 . . 2.960 2.639 2.312 2.743 . 0 0 "[ . 1 . 2 . 3 ]" 1
374 1 20 LEU H 1 20 LEU HB3 . . 3.050 2.382 2.296 2.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
375 1 20 LEU H 1 20 LEU HG . . 5.500 4.391 4.321 4.573 . 0 0 "[ . 1 . 2 . 3 ]" 1
376 1 20 LEU H 1 20 LEU MD1 . . 5.630 4.119 3.801 4.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
377 1 20 LEU H 1 20 LEU MD2 . . 5.260 4.176 4.135 4.240 . 0 0 "[ . 1 . 2 . 3 ]" 1
378 1 20 LEU H 1 21 HIS H . . 5.500 4.639 4.631 4.646 . 0 0 "[ . 1 . 2 . 3 ]" 1
379 1 20 LEU H 1 27 LEU HG . . 5.500 5.507 5.412 5.558 0.058 29 0 "[ . 1 . 2 . 3 ]" 1
380 1 20 LEU H 1 92 TYR QD . . 7.640 4.839 3.565 5.209 . 0 0 "[ . 1 . 2 . 3 ]" 1
381 1 20 LEU H 1 92 TYR QE . . 7.630 6.211 5.056 6.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
382 1 20 LEU HA 1 21 HIS H . . 2.830 2.296 2.256 2.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
383 1 20 LEU HA 1 27 LEU MD2 . . 3.300 2.472 1.956 2.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
384 1 20 LEU HA 1 92 TYR QD . . 7.640 5.739 4.968 5.951 . 0 0 "[ . 1 . 2 . 3 ]" 1
385 1 20 LEU HA 1 92 TYR QE . . 7.630 7.507 6.725 7.681 0.051 12 0 "[ . 1 . 2 . 3 ]" 1
386 1 20 LEU HB2 1 21 HIS H . . 4.140 3.817 3.782 3.944 . 0 0 "[ . 1 . 2 . 3 ]" 1
387 1 20 LEU HB3 1 21 HIS H . . 4.630 3.921 3.482 4.006 . 0 0 "[ . 1 . 2 . 3 ]" 1
388 1 20 LEU HB3 1 92 TYR QD . . 7.640 5.615 4.440 5.984 . 0 0 "[ . 1 . 2 . 3 ]" 1
389 1 20 LEU HB3 1 92 TYR QE . . 7.630 7.397 6.388 7.652 0.022 18 0 "[ . 1 . 2 . 3 ]" 1
390 1 20 LEU HB3 1 93 GLY H . . 5.500 4.721 4.189 5.512 0.012 27 0 "[ . 1 . 2 . 3 ]" 1
391 1 20 LEU HG 1 21 HIS H . . 5.190 2.464 2.010 2.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
392 1 20 LEU HG 1 24 MET H . . 5.500 5.458 5.209 5.518 0.018 13 0 "[ . 1 . 2 . 3 ]" 1
393 1 20 LEU MD1 1 21 HIS H . . 5.350 2.000 1.895 2.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
394 1 20 LEU MD1 1 24 MET H . . 6.120 4.348 4.109 5.144 . 0 0 "[ . 1 . 2 . 3 ]" 1
395 1 20 LEU MD1 1 26 TYR QD . . 8.670 4.737 4.423 5.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
396 1 20 LEU MD1 1 92 TYR H . . 5.500 5.355 4.756 5.510 0.010 9 0 "[ . 1 . 2 . 3 ]" 1
397 1 20 LEU MD1 1 92 TYR HB2 . . 5.000 4.335 3.648 4.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
398 1 20 LEU MD1 1 92 TYR HB3 . . 5.500 4.111 3.134 4.437 . 0 0 "[ . 1 . 2 . 3 ]" 1
399 1 20 LEU MD1 1 92 TYR QD . . 8.670 5.500 4.724 5.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
400 1 20 LEU MD1 1 92 TYR QE . . 8.660 7.247 6.473 7.474 . 0 0 "[ . 1 . 2 . 3 ]" 1
401 1 20 LEU MD1 1 93 GLY H . . 5.500 3.851 3.159 4.036 . 0 0 "[ . 1 . 2 . 3 ]" 1
402 1 20 LEU MD1 1 94 GLU H . . 6.530 2.962 2.733 3.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
403 1 20 LEU MD2 1 21 HIS H . . 6.530 3.956 3.718 4.064 . 0 0 "[ . 1 . 2 . 3 ]" 1
404 1 20 LEU MD2 1 27 LEU H . . 6.530 5.542 4.614 5.902 . 0 0 "[ . 1 . 2 . 3 ]" 1
405 1 20 LEU MD2 1 92 TYR HB2 . . 5.500 5.374 5.016 5.526 0.026 18 0 "[ . 1 . 2 . 3 ]" 1
406 1 20 LEU MD2 1 92 TYR HB3 . . 5.500 4.322 3.860 4.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
407 1 20 LEU MD2 1 92 TYR QD . . 8.670 5.372 4.738 5.651 . 0 0 "[ . 1 . 2 . 3 ]" 1
408 1 20 LEU MD2 1 92 TYR QE . . 8.660 7.137 6.573 7.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
409 1 20 LEU MD2 1 93 GLY H . . 5.000 3.334 2.946 3.489 . 0 0 "[ . 1 . 2 . 3 ]" 1
410 1 20 LEU MD2 1 93 GLY HA2 . . 5.000 1.944 1.886 2.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
411 1 20 LEU MD2 1 94 GLU H . . 6.530 3.501 3.138 4.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
412 1 21 HIS H 1 21 HIS HB2 . . 3.240 2.828 2.779 3.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
413 1 21 HIS H 1 21 HIS HB3 . . 3.300 2.808 2.773 2.862 . 0 0 "[ . 1 . 2 . 3 ]" 1
414 1 21 HIS H 1 22 ASP H . . 5.500 4.412 4.341 4.473 . 0 0 "[ . 1 . 2 . 3 ]" 1
415 1 21 HIS H 1 24 MET H . . 4.790 4.095 4.021 4.166 . 0 0 "[ . 1 . 2 . 3 ]" 1
416 1 21 HIS H 1 24 MET HA . . 5.800 5.793 5.665 5.828 0.028 8 0 "[ . 1 . 2 . 3 ]" 1
417 1 21 HIS H 1 24 MET QB . . 6.040 3.834 3.747 3.978 . 0 0 "[ . 1 . 2 . 3 ]" 1
418 1 21 HIS H 1 24 MET HG2 . . 5.410 1.944 1.903 2.251 . 0 0 "[ . 1 . 2 . 3 ]" 1
419 1 21 HIS H 1 24 MET ME . . 6.030 2.606 2.096 4.153 . 0 0 "[ . 1 . 2 . 3 ]" 1
420 1 21 HIS H 1 25 LYS H . . 5.500 5.575 5.537 5.635 0.135 31 0 "[ . 1 . 2 . 3 ]" 1
421 1 21 HIS H 1 27 LEU MD2 . . 6.530 4.218 3.724 4.717 . 0 0 "[ . 1 . 2 . 3 ]" 1
422 1 21 HIS HA 1 21 HIS HE1 . . 6.000 5.694 5.675 5.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
423 1 21 HIS HA 1 22 ASP H . . 2.900 2.180 2.152 2.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
424 1 21 HIS HB2 1 22 ASP H . . 5.100 4.281 4.021 4.353 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 21 HIS HB2 1 24 MET H . . 4.910 3.792 3.691 3.824 . 0 0 "[ . 1 . 2 . 3 ]" 1
426 1 21 HIS HB3 1 23 SER H . . 5.500 3.134 3.108 3.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
427 1 21 HIS HB3 1 24 MET H . . 5.000 2.044 1.982 2.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
428 1 21 HIS HD2 1 22 ASP QB . . 6.380 4.359 4.003 4.656 . 0 0 "[ . 1 . 2 . 3 ]" 1
429 1 21 HIS HD2 1 23 SER HA . . 6.800 6.872 6.811 6.936 0.136 21 0 "[ . 1 . 2 . 3 ]" 1
430 1 21 HIS HD2 1 24 MET ME . . 6.530 4.612 4.522 5.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 21 HIS HD2 1 59 LEU HA . . 5.500 5.377 5.110 5.549 0.049 7 0 "[ . 1 . 2 . 3 ]" 1
432 1 21 HIS HD2 1 59 LEU HB2 . . 6.000 5.966 5.860 6.062 0.062 29 0 "[ . 1 . 2 . 3 ]" 1
433 1 21 HIS HD2 1 59 LEU HB3 . . 5.500 5.554 5.515 5.607 0.107 22 0 "[ . 1 . 2 . 3 ]" 1
434 1 21 HIS HD2 1 59 LEU MD1 . . 6.530 3.376 3.108 3.591 . 0 0 "[ . 1 . 2 . 3 ]" 1
435 1 21 HIS HD2 1 59 LEU MD2 . . 6.530 2.906 2.606 3.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
436 1 21 HIS HE1 1 22 ASP QB . . 6.380 5.496 4.866 5.628 . 0 0 "[ . 1 . 2 . 3 ]" 1
437 1 21 HIS HE1 1 23 SER H . . 5.500 3.971 3.479 4.111 . 0 0 "[ . 1 . 2 . 3 ]" 1
438 1 21 HIS HE1 1 23 SER HA . . 5.500 5.281 4.944 5.406 . 0 0 "[ . 1 . 2 . 3 ]" 1
439 1 21 HIS HE1 1 23 SER HB2 . . 4.800 2.812 2.463 3.060 . 0 0 "[ . 1 . 2 . 3 ]" 1
440 1 21 HIS HE1 1 23 SER HB3 . . 4.800 3.724 3.168 3.939 . 0 0 "[ . 1 . 2 . 3 ]" 1
441 1 21 HIS HE1 1 24 MET ME . . 6.530 5.439 5.197 5.651 . 0 0 "[ . 1 . 2 . 3 ]" 1
442 1 21 HIS HE1 1 48 LYS HB2 . . 7.000 7.115 7.077 7.162 0.162 20 0 "[ . 1 . 2 . 3 ]" 1
443 1 21 HIS HE1 1 58 LYS HA . . 7.000 7.076 7.035 7.111 0.111 17 0 "[ . 1 . 2 . 3 ]" 1
444 1 21 HIS HE1 1 59 LEU MD1 . . 6.530 2.820 2.640 3.154 . 0 0 "[ . 1 . 2 . 3 ]" 1
445 1 21 HIS HE1 1 59 LEU MD2 . . 6.530 4.558 4.172 4.889 . 0 0 "[ . 1 . 2 . 3 ]" 1
446 1 22 ASP H 1 23 SER H . . 5.070 2.653 2.514 2.719 . 0 0 "[ . 1 . 2 . 3 ]" 1
447 1 22 ASP HA 1 24 MET H . . 4.500 4.566 4.516 4.617 0.117 21 0 "[ . 1 . 2 . 3 ]" 1
448 1 22 ASP QB 1 23 SER H . . 3.300 2.997 2.950 3.038 . 0 0 "[ . 1 . 2 . 3 ]" 1
449 1 23 SER H 1 23 SER HB2 . . 3.480 2.616 2.199 2.740 . 0 0 "[ . 1 . 2 . 3 ]" 1
450 1 23 SER H 1 24 MET H . . 2.900 2.376 2.213 2.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
451 1 23 SER HA 1 47 MET ME . . 5.000 4.425 4.054 4.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
452 1 23 SER QB 1 47 MET ME . . 3.300 2.101 1.945 2.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
453 1 23 SER HB2 1 24 MET H . . 3.300 2.778 2.592 3.384 0.084 12 0 "[ . 1 . 2 . 3 ]" 1
454 1 23 SER HB3 1 24 MET H . . 4.320 3.684 2.730 3.963 . 0 0 "[ . 1 . 2 . 3 ]" 1
455 1 24 MET H 1 24 MET HG2 . . 3.830 2.554 2.490 3.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
456 1 24 MET H 1 24 MET HG3 . . 4.540 3.555 3.454 4.247 . 0 0 "[ . 1 . 2 . 3 ]" 1
457 1 24 MET H 1 24 MET ME . . 6.470 3.559 3.377 3.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
458 1 24 MET H 1 25 LYS H . . 5.500 4.518 4.503 4.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
459 1 24 MET H 1 45 ILE MG . . 5.500 5.375 5.260 5.703 0.203 21 0 "[ . 1 . 2 . 3 ]" 1
460 1 24 MET H 1 47 MET HA . . 5.070 4.327 4.201 4.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
461 1 24 MET H 1 47 MET HB3 . . 5.400 5.393 5.007 5.493 0.093 17 0 "[ . 1 . 2 . 3 ]" 1
462 1 24 MET H 1 48 LYS QD . . 6.380 5.032 4.662 5.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
463 1 24 MET H 1 48 LYS QE . . 6.380 5.709 4.516 6.406 0.026 29 0 "[ . 1 . 2 . 3 ]" 1
464 1 24 MET HA 1 25 LYS H . . 2.900 2.631 2.436 2.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
465 1 24 MET HA 1 26 TYR H . . 4.500 4.512 4.396 4.610 0.110 19 0 "[ . 1 . 2 . 3 ]" 1
466 1 24 MET HA 1 45 ILE MG . . 5.000 4.728 4.604 4.893 . 0 0 "[ . 1 . 2 . 3 ]" 1
467 1 24 MET HA 1 47 MET HA . . 5.000 1.982 1.943 2.100 . 0 0 "[ . 1 . 2 . 3 ]" 1
468 1 24 MET HA 1 47 MET ME . . 3.300 2.861 2.499 3.346 0.046 22 0 "[ . 1 . 2 . 3 ]" 1
469 1 24 MET HA 1 48 LYS H . . 3.300 2.523 2.430 2.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
470 1 24 MET QB 1 25 LYS H . . 5.500 2.220 2.177 2.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
471 1 24 MET ME 1 27 LEU MD1 . . 3.300 3.172 2.470 3.490 0.190 21 0 "[ . 1 . 2 . 3 ]" 1
472 1 24 MET ME 1 27 LEU MD2 . . 3.300 3.259 2.580 3.368 0.068 16 0 "[ . 1 . 2 . 3 ]" 1
473 1 24 MET ME 1 45 ILE MG . . 5.000 1.872 1.702 2.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
474 1 24 MET ME 1 45 ILE MD . . 3.300 2.751 2.541 3.305 0.005 30 0 "[ . 1 . 2 . 3 ]" 1
475 1 24 MET ME 1 47 MET ME . . 5.000 2.809 2.496 3.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
476 1 24 MET ME 1 56 MET ME . . 5.000 2.346 1.782 2.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
477 1 24 MET ME 1 59 LEU MD1 . . 3.300 3.320 3.183 3.412 0.112 29 0 "[ . 1 . 2 . 3 ]" 1
478 1 24 MET ME 1 59 LEU MD2 . . 5.000 2.160 1.908 2.308 . 0 0 "[ . 1 . 2 . 3 ]" 1
479 1 24 MET ME 1 60 ILE MD . . 5.000 4.485 4.283 4.817 . 0 0 "[ . 1 . 2 . 3 ]" 1
480 1 25 LYS H 1 25 LYS HB2 . . 3.330 2.499 2.291 2.589 . 0 0 "[ . 1 . 2 . 3 ]" 1
481 1 25 LYS H 1 25 LYS HB3 . . 3.300 3.330 3.304 3.374 0.074 27 0 "[ . 1 . 2 . 3 ]" 1
482 1 25 LYS H 1 47 MET HA . . 3.300 3.341 3.062 3.397 0.097 30 0 "[ . 1 . 2 . 3 ]" 1
483 1 25 LYS H 1 48 LYS H . . 4.720 4.714 4.402 4.770 0.050 25 0 "[ . 1 . 2 . 3 ]" 1
484 1 25 LYS HB2 1 26 TYR H . . 3.170 3.176 2.997 3.233 0.063 27 0 "[ . 1 . 2 . 3 ]" 1
485 1 25 LYS HB3 1 26 TYR H . . 3.390 2.984 2.801 3.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
486 1 25 LYS HB3 1 26 TYR QD . . 7.640 4.396 1.969 5.065 . 0 0 "[ . 1 . 2 . 3 ]" 1
487 1 25 LYS HB3 1 26 TYR QE . . 7.630 6.251 2.961 7.099 . 0 0 "[ . 1 . 2 . 3 ]" 1
488 1 25 LYS HB3 1 94 GLU H . . 5.500 5.113 3.947 5.508 0.008 10 0 "[ . 1 . 2 . 3 ]" 1
489 1 26 TYR H 1 26 TYR HB2 . . 4.010 3.079 2.805 3.929 . 0 0 "[ . 1 . 2 . 3 ]" 1
490 1 26 TYR H 1 26 TYR HB3 . . 3.640 3.108 2.883 3.696 0.056 16 0 "[ . 1 . 2 . 3 ]" 1
491 1 26 TYR H 1 26 TYR QD . . 5.000 4.196 3.222 4.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
492 1 26 TYR H 1 27 LEU H . . 5.500 4.384 4.152 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1
493 1 26 TYR H 1 45 ILE HA . . 5.300 5.368 5.270 5.441 0.141 21 0 "[ . 1 . 2 . 3 ]" 1
494 1 26 TYR H 1 45 ILE MG . . 5.000 4.195 3.931 4.474 . 0 0 "[ . 1 . 2 . 3 ]" 1
495 1 26 TYR H 1 47 MET HA . . 5.000 4.816 4.665 5.049 0.049 16 0 "[ . 1 . 2 . 3 ]" 1
496 1 26 TYR H 1 94 GLU QB . . 5.000 5.017 4.912 5.069 0.069 30 0 "[ . 1 . 2 . 3 ]" 1
497 1 26 TYR HA 1 26 TYR QE . . 5.500 4.489 4.195 5.650 0.150 21 0 "[ . 1 . 2 . 3 ]" 1
498 1 26 TYR HA 1 27 LEU H . . 2.800 2.256 2.160 2.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
499 1 26 TYR HA 1 93 GLY HA2 . . 5.000 4.630 3.845 4.942 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 26 TYR HA 1 93 GLY HA3 . . 5.500 2.906 2.095 3.247 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 26 TYR HA 1 94 GLU H . . 3.300 3.166 2.739 3.308 0.008 13 0 "[ . 1 . 2 . 3 ]" 1
502 1 26 TYR HB2 1 27 LEU H . . 4.140 3.972 2.861 4.250 0.110 24 0 "[ . 1 . 2 . 3 ]" 1
503 1 26 TYR HB2 1 94 GLU H . . 5.410 4.809 3.898 5.129 . 0 0 "[ . 1 . 2 . 3 ]" 1
504 1 26 TYR HB3 1 27 LEU H . . 4.000 3.622 3.471 4.110 0.110 21 0 "[ . 1 . 2 . 3 ]" 1
505 1 26 TYR QD 1 27 LEU H . . 7.480 3.377 2.844 4.224 . 0 0 "[ . 1 . 2 . 3 ]" 1
506 1 26 TYR QD 1 27 LEU HG . . 7.640 6.456 6.099 6.747 . 0 0 "[ . 1 . 2 . 3 ]" 1
507 1 26 TYR QD 1 28 VAL HA . . 7.640 5.332 4.727 5.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
508 1 26 TYR QD 1 28 VAL HB . . 7.640 4.406 4.158 4.970 . 0 0 "[ . 1 . 2 . 3 ]" 1
509 1 26 TYR QD 1 28 VAL MG1 . . 8.670 4.830 4.555 5.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
510 1 26 TYR QD 1 44 TYR H . . 7.630 6.959 6.614 7.257 . 0 0 "[ . 1 . 2 . 3 ]" 1
511 1 26 TYR QD 1 44 TYR QD . . 9.780 4.792 4.021 7.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
512 1 26 TYR QD 1 44 TYR QE . . 9.770 3.898 2.328 9.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
513 1 26 TYR QD 1 76 ARG QD . . 8.520 6.263 4.340 7.725 . 0 0 "[ . 1 . 2 . 3 ]" 1
514 1 26 TYR QD 1 91 GLU HA . . 7.640 5.341 4.717 5.968 . 0 0 "[ . 1 . 2 . 3 ]" 1
515 1 26 TYR QD 1 93 GLY HA2 . . 7.640 5.383 4.824 6.452 . 0 0 "[ . 1 . 2 . 3 ]" 1
516 1 26 TYR QD 1 93 GLY HA3 . . 7.640 4.000 3.358 5.227 . 0 0 "[ . 1 . 2 . 3 ]" 1
517 1 26 TYR QD 1 94 GLU H . . 5.000 3.297 2.928 3.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
518 1 26 TYR QD 1 94 GLU HA . . 5.000 4.314 3.061 4.704 . 0 0 "[ . 1 . 2 . 3 ]" 1
519 1 26 TYR QE 1 28 VAL HA . . 7.630 5.404 4.560 7.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
520 1 26 TYR QE 1 28 VAL HB . . 7.630 4.983 4.529 5.855 . 0 0 "[ . 1 . 2 . 3 ]" 1
521 1 26 TYR QE 1 28 VAL MG1 . . 8.660 4.459 3.875 6.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
522 1 26 TYR QE 1 28 VAL MG2 . . 5.000 2.552 2.074 4.214 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 26 TYR QE 1 44 TYR H . . 7.630 7.509 6.567 7.646 0.016 17 0 "[ . 1 . 2 . 3 ]" 1
524 1 26 TYR QE 1 76 ARG HA . . 7.630 7.594 7.047 7.721 0.091 27 0 "[ . 1 . 2 . 3 ]" 1
525 1 26 TYR QE 1 76 ARG QD . . 8.510 6.025 4.210 7.763 . 0 0 "[ . 1 . 2 . 3 ]" 1
526 1 26 TYR QE 1 91 GLU HA . . 7.630 4.731 3.498 7.691 0.061 19 0 "[ . 1 . 2 . 3 ]" 1
527 1 26 TYR QE 1 91 GLU HB3 . . 7.630 4.021 2.950 7.431 . 0 0 "[ . 1 . 2 . 3 ]" 1
528 1 26 TYR QE 1 93 GLY HA3 . . 7.630 5.250 4.533 7.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
529 1 26 TYR QE 1 94 GLU HA . . 5.000 4.972 4.672 5.082 0.082 31 0 "[ . 1 . 2 . 3 ]" 1
530 1 26 TYR QE 1 94 GLU QG . . 5.000 4.595 3.906 5.011 0.011 12 0 "[ . 1 . 2 . 3 ]" 1
531 1 27 LEU H 1 27 LEU HB2 . . 4.110 3.344 3.052 3.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
532 1 27 LEU H 1 27 LEU HB3 . . 3.860 2.529 2.313 2.816 . 0 0 "[ . 1 . 2 . 3 ]" 1
533 1 27 LEU H 1 28 VAL H . . 5.500 4.309 4.254 4.446 . 0 0 "[ . 1 . 2 . 3 ]" 1
534 1 27 LEU H 1 92 TYR H . . 3.730 3.074 2.914 3.272 . 0 0 "[ . 1 . 2 . 3 ]" 1
535 1 27 LEU H 1 93 GLY HA2 . . 5.000 5.047 4.908 5.104 0.104 24 0 "[ . 1 . 2 . 3 ]" 1
536 1 27 LEU HA 1 28 VAL H . . 2.900 2.151 2.145 2.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
537 1 27 LEU HA 1 45 ILE HA . . 5.000 3.238 2.486 3.425 . 0 0 "[ . 1 . 2 . 3 ]" 1
538 1 27 LEU HB2 1 28 VAL H . . 4.630 4.022 3.058 4.259 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 27 LEU HB2 1 29 TYR QD . . 7.640 5.392 4.684 5.855 . 0 0 "[ . 1 . 2 . 3 ]" 1
540 1 27 LEU HB2 1 29 TYR QE . . 7.630 6.453 6.035 7.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
541 1 27 LEU HB2 1 92 TYR QD . . 7.640 5.128 4.916 5.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
542 1 27 LEU HB2 1 92 TYR QE . . 7.630 7.118 6.732 7.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
543 1 27 LEU HB3 1 28 VAL H . . 4.600 4.336 4.167 4.448 . 0 0 "[ . 1 . 2 . 3 ]" 1
544 1 27 LEU HB3 1 29 TYR QD . . 7.640 5.151 4.909 5.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
545 1 27 LEU HB3 1 29 TYR QE . . 7.630 5.880 5.535 6.996 . 0 0 "[ . 1 . 2 . 3 ]" 1
546 1 27 LEU HB3 1 92 TYR H . . 5.500 3.441 2.822 5.554 0.054 21 0 "[ . 1 . 2 . 3 ]" 1
547 1 27 LEU HB3 1 92 TYR QD . . 7.640 4.001 3.559 5.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
548 1 27 LEU HB3 1 92 TYR QE . . 7.630 6.102 5.804 7.496 . 0 0 "[ . 1 . 2 . 3 ]" 1
549 1 27 LEU HG 1 29 TYR QD . . 7.640 2.819 2.550 3.874 . 0 0 "[ . 1 . 2 . 3 ]" 1
550 1 27 LEU HG 1 29 TYR QE . . 7.630 3.880 3.521 4.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
551 1 27 LEU HG 1 92 TYR QD . . 7.640 2.582 2.318 3.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
552 1 27 LEU HG 1 92 TYR QE . . 7.630 4.633 4.082 5.477 . 0 0 "[ . 1 . 2 . 3 ]" 1
553 1 27 LEU MD1 1 28 VAL H . . 3.300 2.267 2.142 3.357 0.057 21 0 "[ . 1 . 2 . 3 ]" 1
554 1 27 LEU MD1 1 29 TYR HA . . 5.000 4.405 4.057 5.010 0.010 27 0 "[ . 1 . 2 . 3 ]" 1
555 1 27 LEU MD1 1 29 TYR QD . . 5.500 2.470 2.014 3.654 . 0 0 "[ . 1 . 2 . 3 ]" 1
556 1 27 LEU MD1 1 45 ILE HA . . 5.000 3.927 3.358 5.047 0.047 21 0 "[ . 1 . 2 . 3 ]" 1
557 1 27 LEU MD1 1 45 ILE MD . . 5.000 2.552 2.209 2.958 . 0 0 "[ . 1 . 2 . 3 ]" 1
558 1 27 LEU MD2 1 28 VAL H . . 6.530 4.582 4.517 5.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
559 1 27 LEU MD2 1 45 ILE MD . . 5.000 4.106 3.573 4.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
560 1 27 LEU MD2 1 92 TYR H . . 6.530 4.524 4.049 5.059 . 0 0 "[ . 1 . 2 . 3 ]" 1
561 1 27 LEU MD2 1 92 TYR QD . . 5.000 3.149 2.897 3.795 . 0 0 "[ . 1 . 2 . 3 ]" 1
562 1 27 LEU MD2 1 92 TYR QE . . 5.000 4.402 3.897 5.030 0.030 21 0 "[ . 1 . 2 . 3 ]" 1
563 1 27 LEU MD2 1 93 GLY H . . 5.000 4.823 4.461 5.136 0.136 16 0 "[ . 1 . 2 . 3 ]" 1
564 1 28 VAL H 1 28 VAL MG2 . . 4.730 3.053 2.973 3.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
565 1 28 VAL H 1 29 TYR H . . 5.500 4.182 4.145 4.282 . 0 0 "[ . 1 . 2 . 3 ]" 1
566 1 28 VAL H 1 44 TYR H . . 4.380 4.368 3.898 4.432 0.052 30 0 "[ . 1 . 2 . 3 ]" 1
567 1 28 VAL H 1 45 ILE HA . . 5.000 3.181 3.035 3.328 . 0 0 "[ . 1 . 2 . 3 ]" 1
568 1 28 VAL H 1 45 ILE HG12 . . 5.500 2.658 2.392 2.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
569 1 28 VAL H 1 45 ILE MG . . 6.530 3.763 3.616 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1
570 1 28 VAL HA 1 29 TYR H . . 3.110 2.142 2.140 2.147 . 0 0 "[ . 1 . 2 . 3 ]" 1
571 1 28 VAL HA 1 29 TYR QD . . 6.960 3.819 3.538 4.007 . 0 0 "[ . 1 . 2 . 3 ]" 1
572 1 28 VAL HA 1 91 GLU HA . . 3.270 2.775 2.602 2.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
573 1 28 VAL HA 1 91 GLU HB3 . . 5.500 5.194 4.850 5.569 0.069 17 0 "[ . 1 . 2 . 3 ]" 1
574 1 28 VAL HA 1 91 GLU QG . . 6.380 3.794 3.474 4.244 . 0 0 "[ . 1 . 2 . 3 ]" 1
575 1 28 VAL HA 1 92 TYR H . . 4.140 3.721 3.523 3.798 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 28 VAL HB 1 29 TYR H . . 5.000 4.265 4.233 4.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
577 1 28 VAL HB 1 44 TYR H . . 5.000 2.913 2.320 3.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
578 1 28 VAL HB 1 44 TYR QD . . 7.640 3.471 2.944 5.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
579 1 28 VAL HB 1 44 TYR QE . . 7.630 3.662 2.932 7.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
580 1 28 VAL MG1 1 29 TYR HA . . 6.530 3.433 3.355 3.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
581 1 28 VAL MG1 1 29 TYR QD . . 8.670 4.838 4.555 4.979 . 0 0 "[ . 1 . 2 . 3 ]" 1
582 1 28 VAL MG1 1 44 TYR H . . 6.530 2.780 2.369 3.738 . 0 0 "[ . 1 . 2 . 3 ]" 1
583 1 28 VAL MG1 1 44 TYR QD . . 8.670 3.403 2.770 4.757 . 0 0 "[ . 1 . 2 . 3 ]" 1
584 1 28 VAL MG1 1 44 TYR QE . . 8.660 2.966 2.159 6.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
585 1 28 VAL MG1 1 80 MET ME . . 5.000 3.186 1.878 3.474 . 0 0 "[ . 1 . 2 . 3 ]" 1
586 1 28 VAL MG1 1 91 GLU H . . 5.500 5.109 4.340 5.321 . 0 0 "[ . 1 . 2 . 3 ]" 1
587 1 28 VAL MG2 1 29 TYR H . . 4.020 4.023 3.970 4.044 0.024 4 0 "[ . 1 . 2 . 3 ]" 1
588 1 28 VAL MG2 1 44 TYR H . . 6.530 4.460 3.985 4.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
589 1 28 VAL MG2 1 44 TYR QD . . 8.670 3.790 3.212 6.066 . 0 0 "[ . 1 . 2 . 3 ]" 1
590 1 28 VAL MG2 1 44 TYR QE . . 8.660 3.015 2.045 7.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
591 1 28 VAL MG2 1 80 MET ME . . 5.500 5.387 4.139 5.638 0.138 15 0 "[ . 1 . 2 . 3 ]" 1
592 1 28 VAL MG2 1 91 GLU HA . . 4.800 2.560 1.985 2.782 . 0 0 "[ . 1 . 2 . 3 ]" 1
593 1 28 VAL MG2 1 91 GLU HB2 . . 5.000 4.388 3.150 4.703 . 0 0 "[ . 1 . 2 . 3 ]" 1
594 1 28 VAL MG2 1 91 GLU HB3 . . 5.500 3.715 2.817 4.531 . 0 0 "[ . 1 . 2 . 3 ]" 1
595 1 28 VAL MG2 1 91 GLU QG . . 5.000 2.263 1.935 2.746 . 0 0 "[ . 1 . 2 . 3 ]" 1
596 1 29 TYR H 1 30 GLN H . . 5.500 4.367 4.318 4.425 . 0 0 "[ . 1 . 2 . 3 ]" 1
597 1 29 TYR H 1 43 GLY QA . . 5.000 4.361 4.159 4.580 . 0 0 "[ . 1 . 2 . 3 ]" 1
598 1 29 TYR H 1 90 TRP H . . 5.000 3.408 3.226 3.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
599 1 29 TYR H 1 91 GLU HA . . 4.070 4.136 3.893 4.215 0.145 16 0 "[ . 1 . 2 . 3 ]" 1
600 1 29 TYR HA 1 30 GLN H . . 2.900 2.334 2.254 2.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
601 1 29 TYR HA 1 43 GLY QA . . 5.000 1.975 1.866 2.188 . 0 0 "[ . 1 . 2 . 3 ]" 1
602 1 29 TYR HA 1 79 SER QB . . 6.380 6.420 6.192 6.605 0.225 29 0 "[ . 1 . 2 . 3 ]" 1
603 1 29 TYR HA 1 80 MET ME . . 5.000 3.317 2.623 3.693 . 0 0 "[ . 1 . 2 . 3 ]" 1
604 1 29 TYR HB2 1 30 GLN H . . 4.000 2.708 2.534 2.885 . 0 0 "[ . 1 . 2 . 3 ]" 1
605 1 29 TYR HB3 1 30 GLN H . . 4.000 4.020 3.910 4.116 0.116 18 0 "[ . 1 . 2 . 3 ]" 1
606 1 29 TYR HB3 1 41 PHE QD . . 7.620 5.099 4.264 5.958 . 0 0 "[ . 1 . 2 . 3 ]" 1
607 1 29 TYR HB3 1 42 GLN H . . 5.500 5.486 4.896 5.649 0.149 26 0 "[ . 1 . 2 . 3 ]" 1
608 1 29 TYR QD 1 30 GLN H . . 5.000 3.066 2.815 3.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
609 1 29 TYR QD 1 30 GLN HA . . 7.640 3.522 3.174 3.824 . 0 0 "[ . 1 . 2 . 3 ]" 1
610 1 29 TYR QD 1 41 PHE HA . . 7.640 3.876 3.185 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1
611 1 29 TYR QD 1 41 PHE HB3 . . 7.640 3.086 2.308 3.686 . 0 0 "[ . 1 . 2 . 3 ]" 1
612 1 29 TYR QD 1 41 PHE QD . . 9.760 2.967 2.241 3.663 . 0 0 "[ . 1 . 2 . 3 ]" 1
613 1 29 TYR QD 1 41 PHE QE . . 9.760 3.929 3.172 4.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
614 1 29 TYR QD 1 90 TRP HB3 . . 7.640 4.369 3.506 4.819 . 0 0 "[ . 1 . 2 . 3 ]" 1
615 1 29 TYR QD 1 90 TRP HD1 . . 7.640 7.054 6.397 7.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
616 1 29 TYR QD 1 90 TRP HZ3 . . 6.340 3.986 3.806 4.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
617 1 29 TYR QE 1 41 PHE QD . . 9.750 3.509 3.180 4.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
618 1 29 TYR QE 1 41 PHE QE . . 9.750 2.845 1.988 3.788 . 0 0 "[ . 1 . 2 . 3 ]" 1
619 1 29 TYR QE 1 87 GLU H . . 7.630 7.677 7.634 7.721 0.091 28 0 "[ . 1 . 2 . 3 ]" 1
620 1 29 TYR QE 1 90 TRP HB2 . . 7.630 3.943 3.421 4.275 . 0 0 "[ . 1 . 2 . 3 ]" 1
621 1 29 TYR QE 1 90 TRP HB3 . . 7.630 3.757 2.658 4.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
622 1 29 TYR QE 1 90 TRP HZ3 . . 7.630 2.548 2.371 2.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
623 1 29 TYR QE 1 92 TYR QD . . 9.770 2.846 2.503 3.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
624 1 29 TYR QE 1 92 TYR QE . . 9.760 2.251 2.009 2.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
625 1 30 GLN H 1 30 GLN HB3 . . 3.830 3.378 2.576 3.941 0.111 17 0 "[ . 1 . 2 . 3 ]" 1
626 1 30 GLN H 1 31 THR H . . 5.500 4.410 4.359 4.443 . 0 0 "[ . 1 . 2 . 3 ]" 1
627 1 30 GLN H 1 41 PHE QB . . 5.000 4.199 3.665 4.762 . 0 0 "[ . 1 . 2 . 3 ]" 1
628 1 30 GLN H 1 42 GLN H . . 3.550 2.672 2.329 3.041 . 0 0 "[ . 1 . 2 . 3 ]" 1
629 1 30 GLN H 1 43 GLY QA . . 5.000 3.335 3.091 3.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
630 1 30 GLN H 1 80 MET ME . . 3.300 3.276 3.020 3.405 0.105 9 0 "[ . 1 . 2 . 3 ]" 1
631 1 30 GLN H 1 90 TRP H . . 5.300 5.348 5.224 5.443 0.143 24 0 "[ . 1 . 2 . 3 ]" 1
632 1 30 GLN HA 1 31 THR H . . 2.900 2.335 2.305 2.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
633 1 30 GLN HA 1 89 PRO HA . . 3.600 3.667 3.514 3.790 0.190 28 0 "[ . 1 . 2 . 3 ]" 1
634 1 30 GLN HA 1 90 TRP H . . 5.000 4.102 4.031 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
635 1 30 GLN HA 1 90 TRP HZ3 . . 5.340 3.788 3.411 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 30 GLN HA 1 90 TRP HH2 . . 5.500 5.436 5.264 5.559 0.059 28 0 "[ . 1 . 2 . 3 ]" 1
637 1 30 GLN HB2 1 31 THR H . . 3.300 3.111 2.603 3.492 0.192 23 0 "[ . 1 . 2 . 3 ]" 1
638 1 30 GLN HB3 1 31 THR H . . 4.000 3.470 2.617 4.152 0.152 12 0 "[ . 1 . 2 . 3 ]" 1
639 1 30 GLN QG 1 80 MET ME . . 5.000 2.225 1.721 3.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
640 1 31 THR H 1 31 THR HB . . 4.000 2.682 2.409 2.994 . 0 0 "[ . 1 . 2 . 3 ]" 1
641 1 31 THR H 1 32 GLU H . . 5.500 4.520 4.388 4.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
642 1 31 THR H 1 80 MET ME . . 5.910 5.743 5.331 6.093 0.183 28 0 "[ . 1 . 2 . 3 ]" 1
643 1 31 THR H 1 86 LEU H . . 5.280 4.781 4.491 5.028 . 0 0 "[ . 1 . 2 . 3 ]" 1
644 1 31 THR H 1 87 GLU H . . 3.830 3.183 2.995 3.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
645 1 31 THR H 1 89 PRO HA . . 5.000 4.974 4.848 5.072 0.072 5 0 "[ . 1 . 2 . 3 ]" 1
646 1 31 THR H 1 90 TRP HZ3 . . 5.000 3.439 2.918 3.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
647 1 31 THR H 1 90 TRP HH2 . . 5.000 4.445 4.245 4.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
648 1 31 THR HA 1 32 GLU H . . 3.450 2.187 2.142 2.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
649 1 31 THR HA 1 41 PHE HA . . 3.300 2.825 2.523 3.192 . 0 0 "[ . 1 . 2 . 3 ]" 1
650 1 31 THR HA 1 41 PHE QD . . 5.000 3.068 2.087 3.984 . 0 0 "[ . 1 . 2 . 3 ]" 1
651 1 31 THR HA 1 41 PHE QE . . 7.620 3.982 3.418 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 1
652 1 31 THR HA 1 42 GLN H . . 4.200 3.862 3.684 4.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
653 1 31 THR HA 1 90 TRP HZ3 . . 5.500 4.412 4.069 4.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
654 1 31 THR HA 1 90 TRP HH2 . . 5.700 5.770 5.728 5.825 0.125 14 0 "[ . 1 . 2 . 3 ]" 1
655 1 31 THR HB 1 32 GLU H . . 4.450 3.929 3.535 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1
656 1 31 THR HB 1 41 PHE QD . . 7.620 5.265 4.413 6.051 . 0 0 "[ . 1 . 2 . 3 ]" 1
657 1 31 THR HB 1 41 PHE QE . . 7.620 4.852 4.155 5.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
658 1 31 THR HB 1 87 GLU H . . 3.600 2.617 2.122 3.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
659 1 31 THR HB 1 87 GLU HB2 . . 5.500 2.073 1.977 2.297 . 0 0 "[ . 1 . 2 . 3 ]" 1
660 1 31 THR HB 1 87 GLU HB3 . . 5.000 2.526 2.157 3.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
661 1 31 THR HB 1 90 TRP HZ2 . . 6.000 5.632 5.252 6.018 0.018 11 0 "[ . 1 . 2 . 3 ]" 1
662 1 31 THR HB 1 90 TRP HZ3 . . 5.500 3.851 2.963 4.470 . 0 0 "[ . 1 . 2 . 3 ]" 1
663 1 31 THR HB 1 90 TRP HH2 . . 5.500 3.807 3.303 4.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
664 1 31 THR MG 1 32 GLU H . . 5.100 2.476 2.056 2.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
665 1 31 THR MG 1 39 ILE HB . . 5.000 2.270 1.932 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
666 1 31 THR MG 1 39 ILE QG . . 5.000 3.258 2.912 3.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
667 1 31 THR MG 1 39 ILE MG . . 5.000 2.455 1.926 3.064 . 0 0 "[ . 1 . 2 . 3 ]" 1
668 1 31 THR MG 1 39 ILE MD . . 5.000 1.909 1.750 2.344 . 0 0 "[ . 1 . 2 . 3 ]" 1
669 1 31 THR MG 1 40 HIS H . . 5.000 3.515 2.967 4.148 . 0 0 "[ . 1 . 2 . 3 ]" 1
670 1 31 THR MG 1 41 PHE HA . . 5.500 4.026 3.480 4.295 . 0 0 "[ . 1 . 2 . 3 ]" 1
671 1 31 THR MG 1 41 PHE QD . . 3.300 3.183 2.694 3.359 0.059 24 0 "[ . 1 . 2 . 3 ]" 1
672 1 31 THR MG 1 41 PHE QE . . 5.000 2.686 2.244 2.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
673 1 31 THR MG 1 86 LEU MD1 . . 5.000 2.620 2.201 3.147 . 0 0 "[ . 1 . 2 . 3 ]" 1
674 1 31 THR MG 1 90 TRP HZ2 . . 6.530 6.053 5.854 6.319 . 0 0 "[ . 1 . 2 . 3 ]" 1
675 1 31 THR MG 1 90 TRP HZ3 . . 6.530 3.979 3.585 4.178 . 0 0 "[ . 1 . 2 . 3 ]" 1
676 1 31 THR MG 1 90 TRP HH2 . . 5.750 4.132 3.846 4.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
677 1 32 GLU H 1 32 GLU HB2 . . 4.140 2.564 2.349 3.041 . 0 0 "[ . 1 . 2 . 3 ]" 1
678 1 32 GLU H 1 32 GLU HB3 . . 3.890 3.619 2.952 3.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
679 1 32 GLU H 1 33 GLN H . . 4.600 4.455 4.404 4.525 . 0 0 "[ . 1 . 2 . 3 ]" 1
680 1 32 GLU H 1 40 HIS H . . 3.760 3.075 2.591 3.480 . 0 0 "[ . 1 . 2 . 3 ]" 1
681 1 32 GLU H 1 40 HIS HA . . 5.040 4.985 4.795 5.148 0.108 16 0 "[ . 1 . 2 . 3 ]" 1
682 1 32 GLU H 1 41 PHE HA . . 4.630 3.660 3.188 4.227 . 0 0 "[ . 1 . 2 . 3 ]" 1
683 1 32 GLU H 1 41 PHE QD . . 7.620 4.078 3.564 4.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
684 1 32 GLU H 1 86 LEU MD1 . . 5.000 4.215 3.915 4.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
685 1 32 GLU HA 1 33 GLN H . . 2.900 2.368 2.233 2.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
686 1 32 GLU HA 1 40 HIS H . . 5.000 5.083 4.832 5.252 0.252 31 0 "[ . 1 . 2 . 3 ]" 1
687 1 32 GLU HA 1 85 ARG H . . 5.500 5.282 4.902 5.533 0.033 20 0 "[ . 1 . 2 . 3 ]" 1
688 1 32 GLU HA 1 85 ARG HA . . 5.000 3.081 2.633 3.649 . 0 0 "[ . 1 . 2 . 3 ]" 1
689 1 32 GLU HA 1 86 LEU H . . 3.790 2.091 1.905 2.948 . 0 0 "[ . 1 . 2 . 3 ]" 1
690 1 32 GLU HA 1 87 GLU H . . 4.540 3.597 3.439 3.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
691 1 32 GLU HB2 1 33 GLN H . . 4.000 3.928 3.703 4.105 0.105 27 0 "[ . 1 . 2 . 3 ]" 1
692 1 32 GLU HB3 1 33 GLN H . . 3.980 2.617 2.321 3.566 . 0 0 "[ . 1 . 2 . 3 ]" 1
693 1 32 GLU QG 1 33 GLN H . . 5.000 3.354 1.886 3.725 . 0 0 "[ . 1 . 2 . 3 ]" 1
694 1 32 GLU QG 1 85 ARG HA . . 5.000 2.005 1.878 2.783 . 0 0 "[ . 1 . 2 . 3 ]" 1
695 1 32 GLU QG 1 86 LEU H . . 3.300 2.678 2.398 3.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
696 1 33 GLN H 1 33 GLN HB2 . . 3.140 2.340 2.112 2.719 . 0 0 "[ . 1 . 2 . 3 ]" 1
697 1 33 GLN H 1 33 GLN HB3 . . 3.300 3.103 2.737 3.336 0.036 21 0 "[ . 1 . 2 . 3 ]" 1
698 1 33 GLN H 1 34 GLY H . . 5.500 4.487 4.381 4.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
699 1 33 GLN H 1 84 THR HB . . 5.000 3.575 2.083 4.927 . 0 0 "[ . 1 . 2 . 3 ]" 1
700 1 33 GLN H 1 84 THR MG . . 6.530 3.951 2.349 4.765 . 0 0 "[ . 1 . 2 . 3 ]" 1
701 1 33 GLN H 1 85 ARG HA . . 4.690 4.242 3.706 4.749 0.059 24 0 "[ . 1 . 2 . 3 ]" 1
702 1 33 GLN H 1 86 LEU H . . 4.690 3.809 3.516 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
703 1 33 GLN H 1 86 LEU QB . . 5.500 2.918 2.266 3.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 33 GLN H 1 86 LEU HB2 . . 4.940 2.949 2.278 3.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
705 1 33 GLN H 1 86 LEU HB3 . . 5.500 4.660 4.032 5.101 . 0 0 "[ . 1 . 2 . 3 ]" 1
706 1 33 GLN H 1 86 LEU HG . . 3.300 3.322 3.217 3.405 0.105 2 0 "[ . 1 . 2 . 3 ]" 1
707 1 33 GLN H 1 86 LEU MD1 . . 3.800 3.375 3.037 3.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
708 1 33 GLN H 1 86 LEU MD2 . . 5.000 4.770 4.641 4.845 . 0 0 "[ . 1 . 2 . 3 ]" 1
709 1 33 GLN HA 1 33 GLN HE21 . . 5.500 4.325 2.929 4.906 . 0 0 "[ . 1 . 2 . 3 ]" 1
710 1 33 GLN HA 1 33 GLN HE22 . . 5.500 5.272 4.314 5.584 0.084 15 0 "[ . 1 . 2 . 3 ]" 1
711 1 33 GLN HA 1 34 GLY H . . 2.900 2.178 2.144 2.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
712 1 33 GLN HA 1 39 ILE HA . . 5.000 3.279 2.961 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
713 1 33 GLN HA 1 39 ILE MG . . 5.000 2.434 2.191 2.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
714 1 33 GLN HA 1 40 HIS H . . 5.000 4.029 3.602 4.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
715 1 33 GLN HA 1 86 LEU MD1 . . 3.300 2.394 1.979 2.637 . 0 0 "[ . 1 . 2 . 3 ]" 1
716 1 33 GLN HA 1 86 LEU MD2 . . 5.000 4.923 4.416 5.161 0.161 28 0 "[ . 1 . 2 . 3 ]" 1
717 1 33 GLN QB 1 34 GLY H . . 3.800 3.465 3.327 3.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
718 1 33 GLN QB 1 84 THR HB . . 5.500 4.572 3.140 5.549 0.049 17 0 "[ . 1 . 2 . 3 ]" 1
719 1 33 GLN QB 1 84 THR MG . . 5.500 3.801 2.689 4.734 . 0 0 "[ . 1 . 2 . 3 ]" 1
720 1 33 GLN QB 1 85 ARG HA . . 5.800 5.497 5.024 5.832 0.032 24 0 "[ . 1 . 2 . 3 ]" 1
721 1 33 GLN HB2 1 86 LEU H . . 5.500 4.964 4.650 5.517 0.017 24 0 "[ . 1 . 2 . 3 ]" 1
722 1 33 GLN HB2 1 86 LEU MD1 . . 5.500 2.687 1.952 3.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
723 1 33 GLN HB2 1 86 LEU MD2 . . 5.500 3.674 3.267 4.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
724 1 33 GLN HB3 1 86 LEU MD1 . . 5.000 3.740 3.387 4.196 . 0 0 "[ . 1 . 2 . 3 ]" 1
725 1 33 GLN HB3 1 86 LEU MD2 . . 5.500 4.887 4.457 5.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
726 1 33 GLN QG 1 34 GLY H . . 6.380 3.014 2.312 3.668 . 0 0 "[ . 1 . 2 . 3 ]" 1
727 1 33 GLN QG 1 39 ILE HA . . 5.000 4.226 3.486 4.849 . 0 0 "[ . 1 . 2 . 3 ]" 1
728 1 33 GLN QG 1 40 HIS H . . 5.500 5.487 4.887 5.681 0.181 26 0 "[ . 1 . 2 . 3 ]" 1
729 1 33 GLN QG 1 40 HIS HD2 . . 6.380 6.018 5.667 6.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
730 1 33 GLN HE21 1 34 GLY H . . 5.500 4.870 3.829 5.514 0.014 25 0 "[ . 1 . 2 . 3 ]" 1
731 1 33 GLN HE22 1 34 GLY H . . 5.500 5.497 5.348 5.545 0.045 14 0 "[ . 1 . 2 . 3 ]" 1
732 1 33 GLN HE22 1 86 LEU MD1 . . 5.500 4.571 2.319 5.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
733 1 33 GLN HE22 1 86 LEU MD2 . . 5.500 5.265 3.507 5.566 0.066 14 0 "[ . 1 . 2 . 3 ]" 1
734 1 34 GLY H 1 35 GLU H . . 4.660 4.215 3.759 4.504 . 0 0 "[ . 1 . 2 . 3 ]" 1
735 1 34 GLY H 1 39 ILE HA . . 3.300 3.220 1.817 3.469 0.169 24 0 "[ . 1 . 2 . 3 ]" 1
736 1 34 GLY H 1 39 ILE MG . . 5.000 3.452 2.357 4.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
737 1 34 GLY H 1 40 HIS H . . 4.910 4.454 2.962 4.869 . 0 0 "[ . 1 . 2 . 3 ]" 1
738 1 34 GLY HA2 1 35 GLU H . . 2.900 2.744 2.313 3.216 0.316 6 0 "[ . 1 . 2 . 3 ]" 1
739 1 34 GLY HA3 1 35 GLU H . . 2.900 2.447 2.140 2.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
740 1 35 GLU H 1 35 GLU HB2 . . 4.140 3.748 3.034 3.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
741 1 35 GLU H 1 35 GLU HB3 . . 3.210 2.931 2.525 3.595 0.385 26 0 "[ . 1 . 2 . 3 ]" 1
742 1 35 GLU H 1 36 ALA H . . 5.500 4.069 2.659 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
743 1 35 GLU HA 1 36 ALA H . . 2.900 2.362 2.138 3.053 0.153 26 0 "[ . 1 . 2 . 3 ]" 1
744 1 35 GLU HB2 1 36 ALA H . . 3.890 3.397 1.842 4.098 0.208 17 0 "[ . 1 . 2 . 3 ]" 1
745 1 35 GLU HB3 1 36 ALA H . . 4.570 4.157 3.385 4.619 0.049 26 0 "[ . 1 . 2 . 3 ]" 1
746 1 35 GLU QG 1 36 ALA H . . 5.000 3.937 2.348 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
747 1 35 GLU QG 1 40 HIS HD2 . . 6.380 5.910 4.984 6.506 0.126 6 0 "[ . 1 . 2 . 3 ]" 1
748 1 35 GLU QG 1 41 PHE QD . . 8.500 8.222 7.454 8.793 0.293 26 0 "[ . 1 . 2 . 3 ]" 1
749 1 36 ALA H 1 37 GLY H . . 4.480 4.482 4.124 4.636 0.156 30 0 "[ . 1 . 2 . 3 ]" 1
750 1 36 ALA HA 1 37 GLY H . . 2.900 2.494 2.146 2.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
751 1 36 ALA MB 1 37 GLY H . . 3.300 2.393 1.921 3.194 . 0 0 "[ . 1 . 2 . 3 ]" 1
752 1 36 ALA MB 1 38 ASN H . . 5.000 2.674 2.238 4.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
753 1 36 ALA MB 1 38 ASN HD21 . . 5.000 3.203 2.067 5.015 0.015 24 0 "[ . 1 . 2 . 3 ]" 1
754 1 36 ALA MB 1 38 ASN HD22 . . 5.000 3.534 2.605 5.048 0.048 5 0 "[ . 1 . 2 . 3 ]" 1
755 1 37 GLY H 1 38 ASN H . . 2.900 2.777 2.523 2.920 0.020 18 0 "[ . 1 . 2 . 3 ]" 1
756 1 37 GLY HA2 1 38 ASN H . . 3.550 3.456 3.110 3.522 . 0 0 "[ . 1 . 2 . 3 ]" 1
757 1 38 ASN H 1 38 ASN HB2 . . 3.240 2.762 2.484 3.064 . 0 0 "[ . 1 . 2 . 3 ]" 1
758 1 38 ASN H 1 38 ASN HB3 . . 3.610 3.616 3.562 3.809 0.199 5 0 "[ . 1 . 2 . 3 ]" 1
759 1 38 ASN H 1 39 ILE H . . 5.160 4.550 4.395 4.639 . 0 0 "[ . 1 . 2 . 3 ]" 1
760 1 38 ASN HA 1 39 ILE H . . 2.650 2.534 2.392 2.735 0.085 24 0 "[ . 1 . 2 . 3 ]" 1
761 1 38 ASN HB2 1 39 ILE H . . 3.300 3.115 2.625 3.346 0.046 14 0 "[ . 1 . 2 . 3 ]" 1
762 1 38 ASN HB3 1 39 ILE H . . 3.300 2.327 1.914 2.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
763 1 39 ILE H 1 39 ILE HB . . 3.580 3.675 3.589 3.773 0.193 30 0 "[ . 1 . 2 . 3 ]" 1
764 1 39 ILE H 1 39 ILE HG12 . . 4.040 2.143 1.910 2.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
765 1 39 ILE H 1 40 HIS H . . 4.540 4.478 4.441 4.517 . 0 0 "[ . 1 . 2 . 3 ]" 1
766 1 39 ILE HA 1 40 HIS H . . 2.900 2.434 2.422 2.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
767 1 39 ILE HB 1 40 HIS H . . 3.240 2.337 2.255 2.420 . 0 0 "[ . 1 . 2 . 3 ]" 1
768 1 39 ILE HB 1 40 HIS HD2 . . 5.500 4.091 3.723 4.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
769 1 39 ILE HG13 1 40 HIS H . . 5.500 4.085 3.897 4.385 . 0 0 "[ . 1 . 2 . 3 ]" 1
770 1 39 ILE HG13 1 41 PHE HZ . . 5.190 5.184 4.587 5.352 0.162 24 0 "[ . 1 . 2 . 3 ]" 1
771 1 39 ILE MG 1 40 HIS H . . 3.300 3.276 3.040 3.418 0.118 24 0 "[ . 1 . 2 . 3 ]" 1
772 1 39 ILE MG 1 41 PHE QD . . 5.400 5.474 5.375 5.594 0.194 26 0 "[ . 1 . 2 . 3 ]" 1
773 1 39 ILE MG 1 41 PHE QE . . 8.650 4.994 4.736 5.175 . 0 0 "[ . 1 . 2 . 3 ]" 1
774 1 39 ILE MD 1 40 HIS H . . 6.530 4.376 4.273 4.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
775 1 39 ILE MD 1 41 PHE QD . . 5.000 4.314 3.800 4.772 . 0 0 "[ . 1 . 2 . 3 ]" 1
776 1 40 HIS H 1 40 HIS HD2 . . 5.500 2.205 1.962 2.424 . 0 0 "[ . 1 . 2 . 3 ]" 1
777 1 40 HIS H 1 41 PHE H . . 5.500 4.443 4.371 4.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
778 1 40 HIS HA 1 41 PHE H . . 2.900 2.301 2.208 2.376 . 0 0 "[ . 1 . 2 . 3 ]" 1
779 1 40 HIS HB2 1 41 PHE H . . 3.800 2.737 2.495 3.188 . 0 0 "[ . 1 . 2 . 3 ]" 1
780 1 40 HIS HB3 1 41 PHE H . . 3.600 3.679 3.593 3.739 0.139 23 0 "[ . 1 . 2 . 3 ]" 1
781 1 40 HIS HD2 1 86 LEU HB2 . . 5.130 5.195 5.075 5.326 0.196 24 0 "[ . 1 . 2 . 3 ]" 1
782 1 40 HIS HD2 1 86 LEU HB3 . . 6.300 6.367 6.301 6.486 0.186 25 0 "[ . 1 . 2 . 3 ]" 1
783 1 41 PHE H 1 41 PHE HB2 . . 3.390 2.410 2.282 2.541 . 0 0 "[ . 1 . 2 . 3 ]" 1
784 1 41 PHE H 1 41 PHE HB3 . . 4.040 3.625 3.551 3.699 . 0 0 "[ . 1 . 2 . 3 ]" 1
785 1 41 PHE H 1 42 GLN H . . 5.500 4.498 4.415 4.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
786 1 41 PHE HA 1 42 GLN H . . 2.900 2.195 2.150 2.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
787 1 41 PHE HB3 1 42 GLN H . . 3.300 3.092 2.806 3.363 0.063 15 0 "[ . 1 . 2 . 3 ]" 1
788 1 41 PHE QD 1 42 GLN H . . 7.470 4.053 3.625 4.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
789 1 41 PHE QD 1 90 TRP HZ3 . . 7.620 4.787 4.121 5.379 . 0 0 "[ . 1 . 2 . 3 ]" 1
790 1 41 PHE QE 1 60 ILE MG . . 8.650 6.707 5.629 7.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
791 1 41 PHE QE 1 90 TRP HZ3 . . 7.620 3.944 3.436 4.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
792 1 41 PHE QE 1 90 TRP HH2 . . 6.970 5.341 4.786 5.851 . 0 0 "[ . 1 . 2 . 3 ]" 1
793 1 42 GLN H 1 42 GLN HB2 . . 3.390 2.745 2.576 3.717 0.327 15 0 "[ . 1 . 2 . 3 ]" 1
794 1 42 GLN H 1 42 GLN HB3 . . 3.550 3.567 3.266 3.716 0.166 11 0 "[ . 1 . 2 . 3 ]" 1
795 1 42 GLN H 1 42 GLN HG2 . . 5.500 4.689 2.088 5.023 . 0 0 "[ . 1 . 2 . 3 ]" 1
796 1 42 GLN H 1 42 GLN HG3 . . 5.500 4.231 3.754 4.795 . 0 0 "[ . 1 . 2 . 3 ]" 1
797 1 42 GLN H 1 43 GLY H . . 4.940 4.305 4.199 4.422 . 0 0 "[ . 1 . 2 . 3 ]" 1
798 1 42 GLN HA 1 43 GLY H . . 2.900 2.217 2.157 2.390 . 0 0 "[ . 1 . 2 . 3 ]" 1
799 1 42 GLN QB 1 43 GLY H . . 3.300 3.131 2.505 3.348 0.048 12 0 "[ . 1 . 2 . 3 ]" 1
800 1 43 GLY H 1 44 TYR H . . 5.500 4.375 4.317 4.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
801 1 43 GLY H 1 80 MET HG2 . . 5.500 5.096 4.212 5.653 0.153 29 0 "[ . 1 . 2 . 3 ]" 1
802 1 43 GLY H 1 80 MET HG3 . . 5.500 5.090 3.825 5.546 0.046 23 0 "[ . 1 . 2 . 3 ]" 1
803 1 43 GLY QA 1 44 TYR H . . 2.900 2.264 2.211 2.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
804 1 44 TYR H 1 45 ILE H . . 4.940 4.430 4.365 4.479 . 0 0 "[ . 1 . 2 . 3 ]" 1
805 1 44 TYR HA 1 45 ILE H . . 3.300 2.209 2.159 2.231 . 0 0 "[ . 1 . 2 . 3 ]" 1
806 1 44 TYR HA 1 46 GLU QG . . 5.500 5.547 5.475 5.649 0.149 17 0 "[ . 1 . 2 . 3 ]" 1
807 1 44 TYR QB 1 45 ILE H . . 6.040 2.931 2.846 3.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
808 1 44 TYR QD 1 45 ILE H . . 7.640 3.921 2.950 4.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
809 1 44 TYR QD 1 46 GLU QG . . 8.520 3.082 2.409 4.808 . 0 0 "[ . 1 . 2 . 3 ]" 1
810 1 44 TYR QD 1 76 ARG HA . . 7.640 4.192 2.691 6.008 . 0 0 "[ . 1 . 2 . 3 ]" 1
811 1 44 TYR QD 1 76 ARG QD . . 8.520 4.997 2.307 6.377 . 0 0 "[ . 1 . 2 . 3 ]" 1
812 1 44 TYR QD 1 91 GLU QG . . 8.520 6.535 5.998 8.473 . 0 0 "[ . 1 . 2 . 3 ]" 1
813 1 44 TYR QE 1 46 GLU HA . . 7.630 7.064 5.747 7.749 0.119 15 0 "[ . 1 . 2 . 3 ]" 1
814 1 44 TYR QE 1 46 GLU QG . . 8.510 4.139 2.455 6.328 . 0 0 "[ . 1 . 2 . 3 ]" 1
815 1 44 TYR QE 1 75 ALA MB . . 8.660 4.298 1.881 6.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
816 1 44 TYR QE 1 76 ARG HA . . 7.630 3.527 1.990 5.084 . 0 0 "[ . 1 . 2 . 3 ]" 1
817 1 44 TYR QE 1 76 ARG QG . . 5.500 4.067 1.991 5.516 0.016 15 0 "[ . 1 . 2 . 3 ]" 1
818 1 44 TYR QE 1 76 ARG QD . . 5.000 4.144 2.179 5.016 0.016 17 0 "[ . 1 . 2 . 3 ]" 1
819 1 44 TYR QE 1 80 MET ME . . 5.000 3.875 2.660 5.032 0.032 27 0 "[ . 1 . 2 . 3 ]" 1
820 1 45 ILE H 1 46 GLU HA . . 4.800 4.759 4.684 4.844 0.044 17 0 "[ . 1 . 2 . 3 ]" 1
821 1 45 ILE HB 1 56 MET ME . . 5.000 3.084 2.079 3.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
822 1 45 ILE QG 1 56 MET ME . . 5.000 3.953 2.952 4.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
823 1 45 ILE MG 1 56 MET ME . . 5.000 1.929 1.823 2.224 . 0 0 "[ . 1 . 2 . 3 ]" 1
824 1 45 ILE MD 1 56 MET ME . . 3.300 2.518 1.798 2.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
825 1 45 ILE MD 1 60 ILE MD . . 5.000 3.372 3.087 3.820 . 0 0 "[ . 1 . 2 . 3 ]" 1
826 1 47 MET H 1 48 LYS H . . 5.500 4.522 4.513 4.529 . 0 0 "[ . 1 . 2 . 3 ]" 1
827 1 47 MET HA 1 47 MET ME . . 3.300 2.593 2.167 3.277 . 0 0 "[ . 1 . 2 . 3 ]" 1
828 1 47 MET HA 1 48 LYS H . . 2.900 2.599 2.589 2.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
829 1 47 MET HB2 1 48 LYS H . . 3.300 3.324 3.162 3.380 0.080 28 0 "[ . 1 . 2 . 3 ]" 1
830 1 47 MET HB3 1 48 LYS H . . 3.300 2.029 1.992 2.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
831 1 47 MET HB3 1 49 LYS H . . 3.830 3.420 3.278 3.638 . 0 0 "[ . 1 . 2 . 3 ]" 1
832 1 47 MET ME 1 48 LYS H . . 3.300 3.241 3.044 3.350 0.050 30 0 "[ . 1 . 2 . 3 ]" 1
833 1 47 MET ME 1 59 LEU MD1 . . 2.700 2.617 2.488 2.723 0.023 19 0 "[ . 1 . 2 . 3 ]" 1
834 1 47 MET ME 1 59 LEU MD2 . . 3.300 3.358 3.274 3.416 0.116 23 0 "[ . 1 . 2 . 3 ]" 1
835 1 48 LYS H 1 48 LYS HB2 . . 3.140 2.091 2.067 2.178 . 0 0 "[ . 1 . 2 . 3 ]" 1
836 1 48 LYS H 1 48 LYS HB3 . . 3.210 3.129 2.943 3.220 0.010 21 0 "[ . 1 . 2 . 3 ]" 1
837 1 48 LYS H 1 49 LYS H . . 2.900 2.998 2.962 3.055 0.155 29 0 "[ . 1 . 2 . 3 ]" 1
838 1 48 LYS H 1 51 THR MG . . 4.980 3.834 3.641 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1
839 1 48 LYS HB2 1 49 LYS H . . 3.300 3.134 3.005 3.338 0.038 25 0 "[ . 1 . 2 . 3 ]" 1
840 1 48 LYS HB3 1 49 LYS H . . 3.300 2.250 2.116 2.352 . 0 0 "[ . 1 . 2 . 3 ]" 1
841 1 48 LYS QE 1 49 LYS H . . 6.380 5.071 3.863 6.116 . 0 0 "[ . 1 . 2 . 3 ]" 1
842 1 49 LYS H 1 49 LYS HB2 . . 3.360 3.100 3.056 3.119 . 0 0 "[ . 1 . 2 . 3 ]" 1
843 1 49 LYS H 1 49 LYS HB3 . . 3.890 3.752 3.715 3.793 . 0 0 "[ . 1 . 2 . 3 ]" 1
844 1 49 LYS H 1 50 ARG H . . 2.900 2.868 2.793 2.907 0.007 21 0 "[ . 1 . 2 . 3 ]" 1
845 1 49 LYS HA 1 50 ARG H . . 3.480 3.558 3.553 3.565 0.085 22 0 "[ . 1 . 2 . 3 ]" 1
846 1 49 LYS HB2 1 50 ARG H . . 2.900 2.657 2.551 2.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
847 1 49 LYS HB3 1 50 ARG H . . 2.900 2.156 2.121 2.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
848 1 49 LYS QG 1 50 ARG H . . 6.380 4.010 3.980 4.069 . 0 0 "[ . 1 . 2 . 3 ]" 1
849 1 50 ARG H 1 50 ARG HB2 . . 3.210 2.479 2.355 3.603 0.393 28 0 "[ . 1 . 2 . 3 ]" 1
850 1 50 ARG H 1 50 ARG HB3 . . 3.080 2.788 2.660 2.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
851 1 51 THR HA 1 52 SER H . . 3.210 2.143 2.142 2.144 . 0 0 "[ . 1 . 2 . 3 ]" 1
852 1 51 THR HB 1 52 SER H . . 4.350 4.030 3.949 4.171 . 0 0 "[ . 1 . 2 . 3 ]" 1
853 1 51 THR MG 1 52 SER H . . 4.980 3.060 2.795 3.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
854 1 51 THR MG 1 55 GLY H . . 3.300 3.051 2.835 3.273 . 0 0 "[ . 1 . 2 . 3 ]" 1
855 1 51 THR MG 1 55 GLY HA2 . . 3.300 3.226 3.153 3.310 0.010 16 0 "[ . 1 . 2 . 3 ]" 1
856 1 51 THR MG 1 55 GLY HA3 . . 3.300 1.973 1.902 2.098 . 0 0 "[ . 1 . 2 . 3 ]" 1
857 1 51 THR MG 1 56 MET H . . 4.330 3.880 3.490 4.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
858 1 52 SER H 1 54 ALA H . . 5.000 4.480 4.439 4.516 . 0 0 "[ . 1 . 2 . 3 ]" 1
859 1 52 SER H 1 55 GLY H . . 4.660 3.912 3.798 3.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
860 1 52 SER HA 1 53 LEU H . . 2.900 2.587 2.581 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
861 1 52 SER HA 1 54 ALA H . . 4.790 4.289 4.275 4.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
862 1 52 SER HB2 1 53 LEU H . . 2.900 2.064 2.039 2.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
863 1 52 SER HB2 1 54 ALA H . . 5.000 2.645 2.621 2.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
864 1 52 SER HB3 1 53 LEU H . . 3.300 3.318 3.305 3.357 0.057 22 0 "[ . 1 . 2 . 3 ]" 1
865 1 52 SER HB3 1 54 ALA H . . 4.260 4.257 4.244 4.270 0.010 17 0 "[ . 1 . 2 . 3 ]" 1
866 1 53 LEU H 1 53 LEU HB2 . . 3.170 2.458 2.407 2.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
867 1 53 LEU H 1 53 LEU HB3 . . 3.550 2.554 2.464 2.606 . 0 0 "[ . 1 . 2 . 3 ]" 1
868 1 53 LEU H 1 54 ALA H . . 2.900 2.752 2.729 2.763 . 0 0 "[ . 1 . 2 . 3 ]" 1
869 1 53 LEU H 1 54 ALA MB . . 6.530 4.404 4.382 4.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
870 1 53 LEU H 1 55 GLY H . . 5.000 4.375 4.345 4.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
871 1 53 LEU HA 1 55 GLY H . . 4.200 3.855 3.794 3.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
872 1 53 LEU HA 1 56 MET H . . 3.300 3.240 3.204 3.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
873 1 53 LEU HA 1 57 LYS H . . 4.600 3.788 3.655 3.892 . 0 0 "[ . 1 . 2 . 3 ]" 1
874 1 53 LEU HA 1 65 PHE QD . . 7.620 4.863 4.747 5.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
875 1 53 LEU HB2 1 54 ALA H . . 4.500 4.015 3.981 4.073 . 0 0 "[ . 1 . 2 . 3 ]" 1
876 1 53 LEU HB2 1 57 LYS QE . . 5.000 4.297 4.100 4.524 . 0 0 "[ . 1 . 2 . 3 ]" 1
877 1 53 LEU HB3 1 54 ALA H . . 3.300 2.857 2.842 2.877 . 0 0 "[ . 1 . 2 . 3 ]" 1
878 1 53 LEU HB3 1 57 LYS QE . . 3.300 3.263 2.957 3.431 0.131 21 0 "[ . 1 . 2 . 3 ]" 1
879 1 53 LEU HG 1 57 LYS QB . . 5.000 2.406 2.183 2.591 . 0 0 "[ . 1 . 2 . 3 ]" 1
880 1 53 LEU HG 1 57 LYS QG . . 5.000 3.821 3.473 4.138 . 0 0 "[ . 1 . 2 . 3 ]" 1
881 1 53 LEU HG 1 57 LYS QD . . 5.000 3.407 2.364 4.014 . 0 0 "[ . 1 . 2 . 3 ]" 1
882 1 53 LEU HG 1 57 LYS HE3 . . 5.000 2.495 1.995 3.642 . 0 0 "[ . 1 . 2 . 3 ]" 1
883 1 53 LEU MD1 1 54 ALA H . . 6.530 4.505 4.403 4.657 . 0 0 "[ . 1 . 2 . 3 ]" 1
884 1 53 LEU MD1 1 56 MET H . . 5.000 3.744 3.492 4.074 . 0 0 "[ . 1 . 2 . 3 ]" 1
885 1 53 LEU MD1 1 57 LYS H . . 5.500 3.051 2.805 3.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
886 1 53 LEU MD1 1 57 LYS QG . . 5.500 3.999 3.351 4.365 . 0 0 "[ . 1 . 2 . 3 ]" 1
887 1 53 LEU MD1 1 57 LYS HE2 . . 5.000 3.463 2.819 3.894 . 0 0 "[ . 1 . 2 . 3 ]" 1
888 1 53 LEU MD1 1 57 LYS HE3 . . 5.000 3.940 3.525 4.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
889 1 53 LEU MD1 1 65 PHE H . . 5.000 3.994 3.856 4.148 . 0 0 "[ . 1 . 2 . 3 ]" 1
890 1 53 LEU MD1 1 65 PHE HB2 . . 5.500 2.037 1.973 2.111 . 0 0 "[ . 1 . 2 . 3 ]" 1
891 1 53 LEU MD1 1 65 PHE HB3 . . 5.500 2.039 1.955 2.100 . 0 0 "[ . 1 . 2 . 3 ]" 1
892 1 53 LEU MD2 1 57 LYS H . . 5.500 4.861 4.752 4.959 . 0 0 "[ . 1 . 2 . 3 ]" 1
893 1 53 LEU MD2 1 57 LYS QG . . 5.000 4.331 3.672 4.864 . 0 0 "[ . 1 . 2 . 3 ]" 1
894 1 53 LEU MD2 1 57 LYS HE2 . . 5.000 2.347 1.947 3.104 . 0 0 "[ . 1 . 2 . 3 ]" 1
895 1 53 LEU MD2 1 57 LYS HE3 . . 3.300 3.043 2.404 3.322 0.022 3 0 "[ . 1 . 2 . 3 ]" 1
896 1 53 LEU MD2 1 65 PHE H . . 5.500 3.965 3.750 4.171 . 0 0 "[ . 1 . 2 . 3 ]" 1
897 1 54 ALA H 1 55 GLY H . . 2.900 2.749 2.739 2.762 . 0 0 "[ . 1 . 2 . 3 ]" 1
898 1 54 ALA H 1 56 MET H . . 4.790 4.460 4.387 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
899 1 54 ALA HA 1 56 MET H . . 5.000 4.622 4.536 4.705 . 0 0 "[ . 1 . 2 . 3 ]" 1
900 1 54 ALA HA 1 57 LYS H . . 4.000 3.832 3.760 3.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
901 1 54 ALA HA 1 58 LYS H . . 4.000 4.058 4.021 4.134 0.134 20 0 "[ . 1 . 2 . 3 ]" 1
902 1 54 ALA MB 1 55 GLY H . . 2.700 2.721 2.662 2.760 0.060 28 0 "[ . 1 . 2 . 3 ]" 1
903 1 54 ALA MB 1 58 LYS H . . 5.000 4.782 4.729 4.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
904 1 55 GLY H 1 55 GLY HA3 . . 2.900 2.302 2.298 2.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
905 1 55 GLY H 1 56 MET H . . 2.900 2.640 2.603 2.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
906 1 55 GLY H 1 57 LYS H . . 4.420 4.160 4.084 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
907 1 55 GLY H 1 58 LYS H . . 5.000 4.707 4.642 4.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
908 1 55 GLY QA 1 58 LYS H . . 5.000 3.687 3.641 3.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
909 1 55 GLY HA2 1 57 LYS H . . 5.000 4.859 4.790 4.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
910 1 55 GLY HA2 1 58 LYS H . . 4.510 3.833 3.775 3.915 . 0 0 "[ . 1 . 2 . 3 ]" 1
911 1 55 GLY HA3 1 57 LYS H . . 5.000 4.903 4.826 4.955 . 0 0 "[ . 1 . 2 . 3 ]" 1
912 1 55 GLY HA3 1 58 LYS H . . 5.070 4.795 4.735 4.845 . 0 0 "[ . 1 . 2 . 3 ]" 1
913 1 56 MET H 1 56 MET HB2 . . 3.300 2.441 2.357 2.526 . 0 0 "[ . 1 . 2 . 3 ]" 1
914 1 56 MET H 1 56 MET HB3 . . 3.700 3.592 3.575 3.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
915 1 56 MET H 1 56 MET HG2 . . 3.920 2.435 2.270 2.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
916 1 56 MET H 1 56 MET HG3 . . 3.580 3.306 3.174 3.723 0.143 30 0 "[ . 1 . 2 . 3 ]" 1
917 1 56 MET H 1 57 LYS H . . 2.900 2.608 2.576 2.622 . 0 0 "[ . 1 . 2 . 3 ]" 1
918 1 56 MET H 1 58 LYS H . . 4.350 3.900 3.816 3.980 . 0 0 "[ . 1 . 2 . 3 ]" 1
919 1 56 MET H 1 65 PHE QE . . 7.620 5.527 5.396 5.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
920 1 56 MET HA 1 56 MET ME . . 5.000 1.939 1.895 2.755 . 0 0 "[ . 1 . 2 . 3 ]" 1
921 1 56 MET HA 1 57 LYS H . . 3.480 3.556 3.549 3.559 0.079 12 0 "[ . 1 . 2 . 3 ]" 1
922 1 56 MET HA 1 59 LEU H . . 5.000 3.576 3.491 3.655 . 0 0 "[ . 1 . 2 . 3 ]" 1
923 1 56 MET HA 1 59 LEU HB2 . . 5.000 3.479 3.370 3.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
924 1 56 MET HA 1 60 ILE H . . 5.500 4.793 4.486 4.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
925 1 56 MET HB2 1 56 MET ME . . 5.000 3.626 3.356 3.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
926 1 56 MET HB2 1 57 LYS H . . 3.520 2.462 2.419 2.520 . 0 0 "[ . 1 . 2 . 3 ]" 1
927 1 56 MET HB2 1 65 PHE QD . . 5.500 3.754 3.607 3.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
928 1 56 MET HB2 1 65 PHE QE . . 5.500 3.551 3.343 3.767 . 0 0 "[ . 1 . 2 . 3 ]" 1
929 1 56 MET HB2 1 65 PHE HZ . . 5.500 4.352 4.090 4.717 . 0 0 "[ . 1 . 2 . 3 ]" 1
930 1 56 MET HB3 1 57 LYS H . . 3.730 3.483 3.390 3.598 . 0 0 "[ . 1 . 2 . 3 ]" 1
931 1 56 MET HB3 1 65 PHE QD . . 5.500 3.703 3.505 3.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
932 1 56 MET HB3 1 65 PHE QE . . 5.500 2.498 2.405 2.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
933 1 56 MET HB3 1 65 PHE HZ . . 5.500 2.802 2.634 3.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
934 1 56 MET HG2 1 57 LYS H . . 4.500 4.379 4.258 4.519 0.019 22 0 "[ . 1 . 2 . 3 ]" 1
935 1 56 MET HG2 1 65 PHE QD . . 7.620 5.199 5.019 5.340 . 0 0 "[ . 1 . 2 . 3 ]" 1
936 1 56 MET HG2 1 65 PHE QE . . 7.620 4.331 4.206 4.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
937 1 56 MET HG2 1 65 PHE HZ . . 5.500 5.521 5.439 5.587 0.087 18 0 "[ . 1 . 2 . 3 ]" 1
938 1 56 MET HG3 1 65 PHE QD . . 7.620 3.659 3.554 3.940 . 0 0 "[ . 1 . 2 . 3 ]" 1
939 1 56 MET HG3 1 65 PHE QE . . 7.620 3.269 2.661 3.558 . 0 0 "[ . 1 . 2 . 3 ]" 1
940 1 56 MET HG3 1 65 PHE HZ . . 5.250 5.012 4.522 5.263 0.013 22 0 "[ . 1 . 2 . 3 ]" 1
941 1 56 MET ME 1 59 LEU MD1 . . 3.300 2.813 2.646 3.344 0.044 30 0 "[ . 1 . 2 . 3 ]" 1
942 1 56 MET ME 1 59 LEU MD2 . . 5.000 2.852 2.569 3.429 . 0 0 "[ . 1 . 2 . 3 ]" 1
943 1 56 MET ME 1 60 ILE MD . . 5.000 3.882 3.352 4.273 . 0 0 "[ . 1 . 2 . 3 ]" 1
944 1 57 LYS H 1 57 LYS HB2 . . 3.450 2.596 2.110 3.556 0.106 6 0 "[ . 1 . 2 . 3 ]" 1
945 1 57 LYS H 1 57 LYS HB3 . . 2.990 2.780 2.293 3.060 0.070 27 0 "[ . 1 . 2 . 3 ]" 1
946 1 57 LYS H 1 58 LYS H . . 2.900 2.718 2.670 2.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
947 1 57 LYS H 1 59 LEU H . . 4.630 4.306 4.274 4.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
948 1 57 LYS HA 1 58 LYS H . . 3.500 3.489 3.460 3.505 0.005 22 0 "[ . 1 . 2 . 3 ]" 1
949 1 57 LYS HA 1 59 LEU H . . 5.340 3.936 3.885 4.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
950 1 57 LYS HA 1 60 ILE H . . 5.000 3.104 3.057 3.162 . 0 0 "[ . 1 . 2 . 3 ]" 1
951 1 57 LYS HA 1 65 PHE QD . . 7.620 4.346 3.850 4.591 . 0 0 "[ . 1 . 2 . 3 ]" 1
952 1 57 LYS HA 1 65 PHE QE . . 7.620 3.889 3.742 4.003 . 0 0 "[ . 1 . 2 . 3 ]" 1
953 1 57 LYS HA 1 65 PHE HZ . . 4.970 4.970 4.685 5.062 0.092 28 0 "[ . 1 . 2 . 3 ]" 1
954 1 57 LYS HB2 1 58 LYS H . . 4.000 3.778 3.586 4.066 0.066 16 0 "[ . 1 . 2 . 3 ]" 1
955 1 58 LYS H 1 58 LYS QB . . 3.620 2.106 2.038 2.247 . 0 0 "[ . 1 . 2 . 3 ]" 1
956 1 58 LYS H 1 58 LYS QD . . 4.420 4.134 3.621 4.421 0.001 27 0 "[ . 1 . 2 . 3 ]" 1
957 1 58 LYS H 1 59 LEU H . . 2.830 2.687 2.628 2.731 . 0 0 "[ . 1 . 2 . 3 ]" 1
958 1 58 LYS H 1 60 ILE H . . 5.000 4.170 4.087 4.229 . 0 0 "[ . 1 . 2 . 3 ]" 1
959 1 58 LYS HA 1 59 LEU H . . 3.500 3.499 3.494 3.523 0.023 7 0 "[ . 1 . 2 . 3 ]" 1
960 1 58 LYS HA 1 60 ILE H . . 4.500 4.554 4.522 4.594 0.094 7 0 "[ . 1 . 2 . 3 ]" 1
961 1 58 LYS QB 1 59 LEU H . . 2.900 2.832 2.724 2.885 . 0 0 "[ . 1 . 2 . 3 ]" 1
962 1 58 LYS QG 1 59 LEU H . . 6.380 4.357 3.708 4.546 . 0 0 "[ . 1 . 2 . 3 ]" 1
963 1 59 LEU H 1 59 LEU HB3 . . 3.500 3.562 3.549 3.581 0.081 30 0 "[ . 1 . 2 . 3 ]" 1
964 1 59 LEU H 1 59 LEU MD1 . . 5.630 2.014 1.910 2.127 . 0 0 "[ . 1 . 2 . 3 ]" 1
965 1 59 LEU H 1 60 ILE H . . 5.500 2.415 2.391 2.452 . 0 0 "[ . 1 . 2 . 3 ]" 1
966 1 59 LEU H 1 60 ILE HA . . 5.500 5.039 5.001 5.072 . 0 0 "[ . 1 . 2 . 3 ]" 1
967 1 59 LEU HB2 1 60 ILE H . . 3.170 2.719 2.669 2.745 . 0 0 "[ . 1 . 2 . 3 ]" 1
968 1 59 LEU HB2 1 65 PHE QD . . 7.620 7.081 6.547 7.338 . 0 0 "[ . 1 . 2 . 3 ]" 1
969 1 59 LEU HB2 1 65 PHE QE . . 7.620 5.316 4.815 5.564 . 0 0 "[ . 1 . 2 . 3 ]" 1
970 1 59 LEU HB3 1 60 ILE H . . 3.480 3.528 3.496 3.577 0.097 30 0 "[ . 1 . 2 . 3 ]" 1
971 1 59 LEU HG 1 60 ILE H . . 5.000 5.013 4.952 5.054 0.054 31 0 "[ . 1 . 2 . 3 ]" 1
972 1 59 LEU MD1 1 60 ILE H . . 5.000 3.819 3.736 3.880 . 0 0 "[ . 1 . 2 . 3 ]" 1
973 1 60 ILE H 1 60 ILE HG12 . . 4.940 4.103 2.223 4.599 . 0 0 "[ . 1 . 2 . 3 ]" 1
974 1 60 ILE H 1 61 PRO HD2 . . 5.500 3.992 3.921 4.233 . 0 0 "[ . 1 . 2 . 3 ]" 1
975 1 60 ILE HA 1 65 PHE QE . . 7.620 5.560 4.772 5.864 . 0 0 "[ . 1 . 2 . 3 ]" 1
976 1 60 ILE HB 1 63 ALA MB . . 5.000 3.087 2.114 3.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
977 1 60 ILE HB 1 65 PHE QD . . 7.620 4.784 3.596 5.213 . 0 0 "[ . 1 . 2 . 3 ]" 1
978 1 60 ILE HB 1 65 PHE QE . . 7.560 2.764 1.972 3.064 . 0 0 "[ . 1 . 2 . 3 ]" 1
979 1 60 ILE HB 1 65 PHE HZ . . 5.250 3.957 3.720 4.139 . 0 0 "[ . 1 . 2 . 3 ]" 1
980 1 60 ILE HG12 1 65 PHE QD . . 7.620 6.767 4.895 7.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
981 1 60 ILE HG12 1 65 PHE HZ . . 5.500 4.958 2.761 5.512 0.012 31 0 "[ . 1 . 2 . 3 ]" 1
982 1 60 ILE MG 1 63 ALA H . . 5.000 3.773 2.630 4.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
983 1 60 ILE MG 1 63 ALA HA . . 5.500 4.184 3.720 4.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
984 1 60 ILE MG 1 63 ALA MB . . 3.300 2.038 1.798 2.388 . 0 0 "[ . 1 . 2 . 3 ]" 1
985 1 60 ILE MG 1 65 PHE QD . . 5.000 4.847 4.108 5.038 0.038 30 0 "[ . 1 . 2 . 3 ]" 1
986 1 60 ILE MG 1 65 PHE QE . . 5.000 3.473 2.614 3.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
987 1 60 ILE MG 1 65 PHE HZ . . 5.500 4.868 4.045 5.216 . 0 0 "[ . 1 . 2 . 3 ]" 1
988 1 60 ILE MD 1 63 ALA MB . . 5.000 4.373 4.056 4.738 . 0 0 "[ . 1 . 2 . 3 ]" 1
989 1 60 ILE MD 1 65 PHE QD . . 5.500 5.518 5.373 5.677 0.177 22 0 "[ . 1 . 2 . 3 ]" 1
990 1 60 ILE MD 1 65 PHE QE . . 5.000 3.685 3.533 3.887 . 0 0 "[ . 1 . 2 . 3 ]" 1
991 1 60 ILE MD 1 65 PHE HZ . . 5.000 3.356 3.030 3.947 . 0 0 "[ . 1 . 2 . 3 ]" 1
992 1 61 PRO HA 1 62 GLY H . . 3.210 2.286 2.155 3.378 0.168 28 0 "[ . 1 . 2 . 3 ]" 1
993 1 61 PRO HA 1 63 ALA H . . 5.000 4.088 3.704 4.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
994 1 61 PRO HB3 1 62 GLY H . . 4.260 4.318 4.090 4.432 0.172 12 0 "[ . 1 . 2 . 3 ]" 1
995 1 62 GLY H 1 63 ALA H . . 2.900 2.235 1.891 3.000 0.100 12 0 "[ . 1 . 2 . 3 ]" 1
996 1 62 GLY HA2 1 63 ALA H . . 3.450 2.919 2.515 3.563 0.113 16 0 "[ . 1 . 2 . 3 ]" 1
997 1 63 ALA H 1 64 HIS H . . 4.820 4.463 4.369 4.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
998 1 63 ALA HA 1 64 HIS H . . 3.240 2.456 2.387 2.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
999 1 63 ALA HA 1 65 PHE QD . . 7.620 5.071 4.967 5.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
1000 1 63 ALA HA 1 65 PHE QE . . 7.620 5.565 5.378 5.782 . 0 0 "[ . 1 . 2 . 3 ]" 1
1001 1 63 ALA MB 1 64 HIS H . . 4.480 2.367 2.265 2.497 . 0 0 "[ . 1 . 2 . 3 ]" 1
1002 1 63 ALA MB 1 65 PHE QD . . 8.650 2.872 2.614 3.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
1003 1 63 ALA MB 1 65 PHE QE . . 5.500 2.681 2.464 2.937 . 0 0 "[ . 1 . 2 . 3 ]" 1
1004 1 63 ALA MB 1 65 PHE HZ . . 6.000 4.638 4.436 4.854 . 0 0 "[ . 1 . 2 . 3 ]" 1
1005 1 64 HIS H 1 64 HIS HB3 . . 2.930 2.727 2.720 2.743 . 0 0 "[ . 1 . 2 . 3 ]" 1
1006 1 64 HIS H 1 64 HIS HD2 . . 5.500 5.049 4.916 5.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
1007 1 64 HIS H 1 65 PHE H . . 5.500 4.339 4.291 4.433 . 0 0 "[ . 1 . 2 . 3 ]" 1
1008 1 64 HIS H 1 65 PHE QE . . 7.620 5.330 5.079 5.492 . 0 0 "[ . 1 . 2 . 3 ]" 1
1009 1 64 HIS HA 1 65 PHE H . . 2.900 2.145 2.140 2.148 . 0 0 "[ . 1 . 2 . 3 ]" 1
1010 1 64 HIS HA 1 65 PHE QD . . 7.620 4.144 3.986 4.273 . 0 0 "[ . 1 . 2 . 3 ]" 1
1011 1 64 HIS HA 1 65 PHE QE . . 7.620 6.122 5.933 6.240 . 0 0 "[ . 1 . 2 . 3 ]" 1
1012 1 64 HIS QB 1 65 PHE H . . 5.000 3.858 3.769 3.875 . 0 0 "[ . 1 . 2 . 3 ]" 1
1013 1 64 HIS HD2 1 65 PHE H . . 3.980 3.245 2.263 3.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
1014 1 64 HIS HD2 1 66 GLU QG . . 6.380 4.446 2.928 6.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
1015 1 65 PHE H 1 65 PHE HB2 . . 3.790 2.354 2.334 2.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
1016 1 65 PHE H 1 66 GLU H . . 4.720 4.521 4.507 4.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
1017 1 65 PHE HA 1 65 PHE QE . . 5.500 4.478 4.466 4.497 . 0 0 "[ . 1 . 2 . 3 ]" 1
1018 1 65 PHE HA 1 65 PHE HZ . . 6.000 5.672 5.657 5.696 . 0 0 "[ . 1 . 2 . 3 ]" 1
1019 1 65 PHE HA 1 66 GLU H . . 2.900 2.352 2.344 2.359 . 0 0 "[ . 1 . 2 . 3 ]" 1
1020 1 65 PHE HB2 1 66 GLU H . . 4.000 4.009 3.989 4.032 0.032 20 0 "[ . 1 . 2 . 3 ]" 1
1021 1 65 PHE HB3 1 66 GLU H . . 3.980 2.680 2.653 2.715 . 0 0 "[ . 1 . 2 . 3 ]" 1
1022 1 65 PHE QD 1 66 GLU H . . 7.620 3.089 2.971 3.203 . 0 0 "[ . 1 . 2 . 3 ]" 1
1023 1 66 GLU H 1 66 GLU HB2 . . 3.670 2.894 2.688 3.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
1024 1 66 GLU H 1 66 GLU HB3 . . 3.580 3.433 3.115 3.597 0.017 28 0 "[ . 1 . 2 . 3 ]" 1
1025 1 66 GLU H 1 67 LYS H . . 5.500 3.952 3.905 4.091 . 0 0 "[ . 1 . 2 . 3 ]" 1
1026 1 66 GLU HA 1 67 LYS H . . 2.680 2.143 2.137 2.147 . 0 0 "[ . 1 . 2 . 3 ]" 1
1027 1 66 GLU HA 1 69 ARG H . . 5.500 5.619 5.146 5.842 0.342 25 0 "[ . 1 . 2 . 3 ]" 1
1028 1 66 GLU HA 1 70 GLY H . . 6.400 6.345 5.765 6.569 0.169 12 0 "[ . 1 . 2 . 3 ]" 1
1029 1 66 GLU HB2 1 67 LYS H . . 4.500 4.550 4.496 4.583 0.083 28 0 "[ . 1 . 2 . 3 ]" 1
1030 1 66 GLU HB3 1 67 LYS H . . 4.140 3.904 3.643 4.154 0.014 15 0 "[ . 1 . 2 . 3 ]" 1
1031 1 66 GLU QG 1 67 LYS H . . 6.380 3.462 3.003 3.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
1032 1 67 LYS H 1 67 LYS HB2 . . 3.210 2.925 2.620 3.554 0.344 26 0 "[ . 1 . 2 . 3 ]" 1
1033 1 67 LYS H 1 67 LYS HB3 . . 3.480 2.784 2.460 3.537 0.057 30 0 "[ . 1 . 2 . 3 ]" 1
1034 1 68 ARG HA 1 69 ARG H . . 3.420 3.334 3.060 3.572 0.152 25 0 "[ . 1 . 2 . 3 ]" 1
1035 1 68 ARG QD 1 69 ARG H . . 6.380 5.189 3.758 5.860 . 0 0 "[ . 1 . 2 . 3 ]" 1
1036 1 69 ARG H 1 69 ARG HB2 . . 3.950 3.411 2.765 3.979 0.029 9 0 "[ . 1 . 2 . 3 ]" 1
1037 1 69 ARG H 1 69 ARG HB3 . . 4.110 3.829 3.030 4.099 . 0 0 "[ . 1 . 2 . 3 ]" 1
1038 1 69 ARG H 1 70 GLY H . . 5.500 2.666 1.786 3.450 . 0 0 "[ . 1 . 2 . 3 ]" 1
1039 1 69 ARG H 1 72 GLN H . . 5.500 5.460 5.062 5.699 0.199 18 0 "[ . 1 . 2 . 3 ]" 1
1040 1 69 ARG HA 1 70 GLY H . . 2.900 2.641 2.326 3.156 0.256 27 0 "[ . 1 . 2 . 3 ]" 1
1041 1 69 ARG HA 1 71 THR H . . 5.500 3.400 2.980 5.503 0.003 18 0 "[ . 1 . 2 . 3 ]" 1
1042 1 69 ARG HA 1 72 GLN H . . 5.000 3.460 2.951 4.931 . 0 0 "[ . 1 . 2 . 3 ]" 1
1043 1 69 ARG QB 1 70 GLY H . . 5.500 3.890 3.555 4.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
1044 1 69 ARG HB2 1 70 GLY H . . 5.220 4.422 4.006 4.663 . 0 0 "[ . 1 . 2 . 3 ]" 1
1045 1 70 GLY H 1 71 THR H . . 5.500 2.813 2.457 4.437 . 0 0 "[ . 1 . 2 . 3 ]" 1
1046 1 70 GLY HA2 1 71 THR H . . 3.300 3.356 2.408 3.569 0.269 14 0 "[ . 1 . 2 . 3 ]" 1
1047 1 70 GLY HA3 1 71 THR H . . 3.300 3.056 2.141 3.547 0.247 23 0 "[ . 1 . 2 . 3 ]" 1
1048 1 71 THR H 1 72 GLN H . . 5.500 2.046 1.837 2.817 . 0 0 "[ . 1 . 2 . 3 ]" 1
1049 1 71 THR HA 1 72 GLN H . . 2.900 2.966 2.843 3.113 0.213 13 0 "[ . 1 . 2 . 3 ]" 1
1050 1 71 THR HA 1 78 TYR QD . . 7.640 6.734 6.128 7.702 0.062 13 0 "[ . 1 . 2 . 3 ]" 1
1051 1 71 THR HA 1 78 TYR QE . . 7.630 7.647 7.188 7.766 0.136 15 0 "[ . 1 . 2 . 3 ]" 1
1052 1 71 THR HB 1 72 GLN H . . 4.510 4.258 3.991 4.627 0.117 15 0 "[ . 1 . 2 . 3 ]" 1
1053 1 72 GLN H 1 73 GLY H . . 5.500 4.370 2.715 4.649 . 0 0 "[ . 1 . 2 . 3 ]" 1
1054 1 72 GLN HA 1 73 GLY H . . 2.900 2.501 2.145 2.936 0.036 4 0 "[ . 1 . 2 . 3 ]" 1
1055 1 73 GLY H 1 74 GLU H . . 5.500 2.952 2.511 4.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
1056 1 73 GLY HA2 1 74 GLU H . . 3.300 3.387 3.193 3.553 0.253 12 0 "[ . 1 . 2 . 3 ]" 1
1057 1 73 GLY HA3 1 74 GLU H . . 3.300 2.946 2.139 3.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
1058 1 74 GLU H 1 75 ALA H . . 4.070 2.586 2.407 2.696 . 0 0 "[ . 1 . 2 . 3 ]" 1
1059 1 74 GLU HA 1 75 ALA H . . 3.500 3.468 3.454 3.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
1060 1 74 GLU HA 1 77 ALA H . . 3.800 3.852 3.809 3.882 0.082 16 0 "[ . 1 . 2 . 3 ]" 1
1061 1 74 GLU HA 1 77 ALA MB . . 3.800 3.772 3.458 3.862 0.062 16 0 "[ . 1 . 2 . 3 ]" 1
1062 1 74 GLU QB 1 75 ALA H . . 4.670 2.939 2.814 3.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
1063 1 74 GLU QG 1 75 ALA H . . 6.380 4.350 2.259 4.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
1064 1 75 ALA H 1 76 ARG H . . 5.500 2.612 2.465 2.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
1065 1 75 ALA HA 1 76 ARG H . . 3.300 3.381 3.309 3.439 0.139 28 0 "[ . 1 . 2 . 3 ]" 1
1066 1 75 ALA HA 1 77 ALA H . . 5.000 3.564 3.427 3.692 . 0 0 "[ . 1 . 2 . 3 ]" 1
1067 1 75 ALA HA 1 78 TYR H . . 3.800 3.474 2.787 3.809 0.009 18 0 "[ . 1 . 2 . 3 ]" 1
1068 1 75 ALA HA 1 78 TYR HB2 . . 5.000 4.680 1.940 5.263 0.263 13 0 "[ . 1 . 2 . 3 ]" 1
1069 1 75 ALA HA 1 78 TYR HB3 . . 5.000 3.176 2.051 3.883 . 0 0 "[ . 1 . 2 . 3 ]" 1
1070 1 75 ALA HA 1 79 SER H . . 5.000 2.708 1.920 4.176 . 0 0 "[ . 1 . 2 . 3 ]" 1
1071 1 75 ALA MB 1 76 ARG H . . 3.300 3.114 2.967 3.248 . 0 0 "[ . 1 . 2 . 3 ]" 1
1072 1 75 ALA MB 1 78 TYR QD . . 8.670 4.188 2.850 5.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
1073 1 76 ARG H 1 77 ALA H . . 4.070 2.542 2.384 2.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
1074 1 76 ARG H 1 77 ALA HA . . 5.300 5.184 5.055 5.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
1075 1 76 ARG H 1 78 TYR H . . 5.500 4.419 3.839 4.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
1076 1 76 ARG HA 1 77 ALA H . . 3.300 3.415 3.321 3.457 0.157 10 0 "[ . 1 . 2 . 3 ]" 1
1077 1 76 ARG QB 1 77 ALA H . . 5.000 3.118 2.913 3.642 . 0 0 "[ . 1 . 2 . 3 ]" 1
1078 1 77 ALA H 1 78 TYR H . . 3.420 2.356 1.878 2.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
1079 1 77 ALA MB 1 78 TYR H . . 3.300 2.415 2.092 3.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
1080 1 77 ALA MB 1 78 TYR QD . . 8.670 5.117 4.158 5.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
1081 1 77 ALA MB 1 78 TYR QE . . 8.660 6.885 5.943 7.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
1082 1 78 TYR H 1 78 TYR HB2 . . 3.520 2.827 2.076 3.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
1083 1 78 TYR H 1 78 TYR HB3 . . 3.480 2.348 2.066 3.187 . 0 0 "[ . 1 . 2 . 3 ]" 1
1084 1 78 TYR H 1 78 TYR QD . . 5.000 4.017 2.452 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
1085 1 78 TYR QD 1 79 SER QB . . 8.520 4.777 4.484 5.690 . 0 0 "[ . 1 . 2 . 3 ]" 1
1086 1 78 TYR QD 1 82 GLU HA . . 7.640 6.863 5.595 7.659 0.019 4 0 "[ . 1 . 2 . 3 ]" 1
1087 1 78 TYR QD 1 85 ARG HD3 . . 7.640 7.262 5.498 7.709 0.069 30 0 "[ . 1 . 2 . 3 ]" 1
1088 1 78 TYR QE 1 79 SER QB . . 8.510 5.605 4.965 7.085 . 0 0 "[ . 1 . 2 . 3 ]" 1
1089 1 78 TYR QE 1 81 LYS QE . . 8.510 4.850 3.006 7.992 . 0 0 "[ . 1 . 2 . 3 ]" 1
1090 1 78 TYR QE 1 82 GLU HA . . 7.630 6.168 3.578 7.659 0.029 13 0 "[ . 1 . 2 . 3 ]" 1
1091 1 78 TYR QE 1 85 ARG HD2 . . 7.630 7.512 6.085 7.690 0.060 15 0 "[ . 1 . 2 . 3 ]" 1
1092 1 78 TYR QE 1 85 ARG HD3 . . 7.630 7.007 4.541 7.660 0.030 24 0 "[ . 1 . 2 . 3 ]" 1
1093 1 80 MET ME 1 89 PRO HB2 . . 5.000 4.963 3.302 5.271 0.271 9 0 "[ . 1 . 2 . 3 ]" 1
1094 1 80 MET ME 1 89 PRO HB3 . . 5.000 4.038 2.380 4.381 . 0 0 "[ . 1 . 2 . 3 ]" 1
1095 1 81 LYS HA 1 82 GLU H . . 2.900 2.158 2.141 2.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
1096 1 81 LYS HA 1 83 ASP H . . 4.380 3.742 3.574 3.999 . 0 0 "[ . 1 . 2 . 3 ]" 1
1097 1 81 LYS QB 1 82 GLU H . . 5.000 3.578 3.237 3.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
1098 1 81 LYS QB 1 83 ASP H . . 5.000 3.327 2.815 4.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
1099 1 81 LYS QG 1 82 GLU H . . 5.500 3.680 2.736 4.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
1100 1 82 GLU H 1 82 GLU HB2 . . 3.050 2.214 2.066 2.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
1101 1 82 GLU H 1 82 GLU HB3 . . 3.700 3.378 2.903 3.589 . 0 0 "[ . 1 . 2 . 3 ]" 1
1102 1 82 GLU H 1 83 ASP H . . 3.300 2.633 2.587 2.735 . 0 0 "[ . 1 . 2 . 3 ]" 1
1103 1 82 GLU QB 1 83 ASP H . . 2.900 2.768 2.499 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
1104 1 82 GLU QB 1 83 ASP HA . . 5.000 3.845 3.774 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1
1105 1 82 GLU HB2 1 83 ASP H . . 3.640 3.088 2.761 3.649 0.009 30 0 "[ . 1 . 2 . 3 ]" 1
1106 1 82 GLU HB3 1 83 ASP H . . 3.920 3.319 2.570 3.941 0.021 4 0 "[ . 1 . 2 . 3 ]" 1
1107 1 82 GLU QG 1 83 ASP H . . 6.380 4.399 3.834 4.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
1108 1 83 ASP H 1 84 THR H . . 4.320 2.680 2.456 2.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
1109 1 83 ASP HA 1 85 ARG H . . 4.290 3.980 3.637 4.150 . 0 0 "[ . 1 . 2 . 3 ]" 1
1110 1 83 ASP QB 1 84 THR MG . . 5.000 3.515 2.579 4.680 . 0 0 "[ . 1 . 2 . 3 ]" 1
1111 1 83 ASP HB2 1 84 THR H . . 5.310 3.340 2.702 4.042 . 0 0 "[ . 1 . 2 . 3 ]" 1
1112 1 83 ASP HB3 1 84 THR H . . 5.500 3.187 2.724 3.832 . 0 0 "[ . 1 . 2 . 3 ]" 1
1113 1 83 ASP HB3 1 85 ARG H . . 5.500 4.967 4.724 5.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
1114 1 84 THR H 1 85 ARG H . . 2.900 2.289 2.105 2.565 . 0 0 "[ . 1 . 2 . 3 ]" 1
1115 1 84 THR HA 1 85 ARG H . . 3.300 3.180 3.155 3.190 . 0 0 "[ . 1 . 2 . 3 ]" 1
1116 1 84 THR HB 1 85 ARG H . . 5.220 4.094 3.737 4.379 . 0 0 "[ . 1 . 2 . 3 ]" 1
1117 1 84 THR MG 1 85 ARG H . . 5.500 4.386 4.241 4.471 . 0 0 "[ . 1 . 2 . 3 ]" 1
1118 1 84 THR MG 1 86 LEU H . . 6.530 6.193 4.941 6.569 0.039 24 0 "[ . 1 . 2 . 3 ]" 1
1119 1 85 ARG H 1 85 ARG HB2 . . 3.050 2.407 2.090 2.745 . 0 0 "[ . 1 . 2 . 3 ]" 1
1120 1 85 ARG H 1 85 ARG HB3 . . 3.050 2.730 2.319 3.163 0.113 10 0 "[ . 1 . 2 . 3 ]" 1
1121 1 85 ARG H 1 86 LEU H . . 5.310 4.509 4.477 4.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
1122 1 85 ARG HA 1 86 LEU H . . 2.900 2.153 2.140 2.269 . 0 0 "[ . 1 . 2 . 3 ]" 1
1123 1 85 ARG HA 1 87 GLU H . . 4.300 4.243 3.889 4.357 0.057 3 0 "[ . 1 . 2 . 3 ]" 1
1124 1 85 ARG HB2 1 86 LEU H . . 4.660 4.352 4.166 4.529 . 0 0 "[ . 1 . 2 . 3 ]" 1
1125 1 85 ARG HB3 1 86 LEU H . . 5.500 4.044 3.326 4.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
1126 1 86 LEU H 1 86 LEU HB2 . . 3.330 2.292 2.188 2.573 . 0 0 "[ . 1 . 2 . 3 ]" 1
1127 1 86 LEU H 1 86 LEU HB3 . . 3.520 3.182 2.943 3.361 . 0 0 "[ . 1 . 2 . 3 ]" 1
1128 1 86 LEU H 1 87 GLU H . . 3.020 2.359 2.112 2.451 . 0 0 "[ . 1 . 2 . 3 ]" 1
1129 1 86 LEU H 1 87 GLU HA . . 4.820 4.795 4.472 4.873 0.053 31 0 "[ . 1 . 2 . 3 ]" 1
1130 1 86 LEU HB2 1 87 GLU H . . 3.300 3.011 2.777 3.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
1131 1 86 LEU HB3 1 87 GLU H . . 2.900 2.504 2.155 2.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
1132 1 86 LEU HG 1 87 GLU H . . 5.500 4.936 4.834 5.147 . 0 0 "[ . 1 . 2 . 3 ]" 1
1133 1 86 LEU MD1 1 87 GLU H . . 5.500 4.318 4.023 4.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
1134 1 87 GLU H 1 87 GLU HB2 . . 3.670 2.709 2.539 2.896 . 0 0 "[ . 1 . 2 . 3 ]" 1
1135 1 87 GLU H 1 87 GLU HB3 . . 3.640 3.206 3.125 3.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
1136 1 87 GLU HA 1 88 GLY H . . 2.900 2.530 2.524 2.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
1137 1 87 GLU HA 1 90 TRP HZ3 . . 6.300 6.234 5.815 6.342 0.042 23 0 "[ . 1 . 2 . 3 ]" 1
1138 1 87 GLU HA 1 90 TRP HH2 . . 5.500 5.021 4.875 5.132 . 0 0 "[ . 1 . 2 . 3 ]" 1
1139 1 87 GLU HB2 1 88 GLY H . . 4.000 3.864 3.845 3.872 . 0 0 "[ . 1 . 2 . 3 ]" 1
1140 1 87 GLU HB2 1 90 TRP HZ2 . . 5.000 4.436 4.268 4.769 . 0 0 "[ . 1 . 2 . 3 ]" 1
1141 1 87 GLU HB2 1 90 TRP HZ3 . . 5.500 4.483 4.156 4.606 . 0 0 "[ . 1 . 2 . 3 ]" 1
1142 1 87 GLU HB2 1 90 TRP HH2 . . 3.300 3.274 3.223 3.302 0.002 5 0 "[ . 1 . 2 . 3 ]" 1
1143 1 87 GLU HB3 1 88 GLY H . . 3.980 2.706 2.597 2.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
1144 1 87 GLU HB3 1 90 TRP HZ2 . . 5.500 3.402 3.253 3.765 . 0 0 "[ . 1 . 2 . 3 ]" 1
1145 1 87 GLU HB3 1 90 TRP HZ3 . . 5.500 3.329 2.904 3.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
1146 1 87 GLU HB3 1 90 TRP HH2 . . 3.300 2.484 2.388 2.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
1147 1 87 GLU HG2 1 88 GLY H . . 3.700 3.032 2.037 3.633 . 0 0 "[ . 1 . 2 . 3 ]" 1
1148 1 87 GLU HG2 1 90 TRP HZ2 . . 3.300 2.243 2.022 2.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
1149 1 87 GLU HG3 1 90 TRP HZ2 . . 5.000 2.880 2.216 3.854 . 0 0 "[ . 1 . 2 . 3 ]" 1
1150 1 88 GLY HA2 1 89 PRO HA . . 3.300 2.944 2.933 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
1151 1 88 GLY HA3 1 89 PRO HA . . 3.300 2.072 2.063 2.080 . 0 0 "[ . 1 . 2 . 3 ]" 1
1152 1 88 GLY H 1 90 TRP HZ2 . . 5.500 3.407 3.266 3.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
1153 1 89 PRO HA 1 90 TRP H . . 3.300 2.437 2.402 2.483 . 0 0 "[ . 1 . 2 . 3 ]" 1
1154 1 90 TRP H 1 90 TRP HA . . 2.900 2.927 2.922 2.931 0.031 23 0 "[ . 1 . 2 . 3 ]" 1
1155 1 90 TRP H 1 90 TRP HB3 . . 3.760 3.792 3.771 3.805 0.045 22 0 "[ . 1 . 2 . 3 ]" 1
1156 1 90 TRP H 1 91 GLU H . . 4.450 4.271 4.087 4.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
1157 1 90 TRP HA 1 90 TRP HE1 . . 6.300 4.579 4.557 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
1158 1 90 TRP HA 1 91 GLU H . . 2.680 2.176 2.141 2.276 . 0 0 "[ . 1 . 2 . 3 ]" 1
1159 1 90 TRP HB2 1 91 GLU H . . 4.500 4.253 4.010 4.448 . 0 0 "[ . 1 . 2 . 3 ]" 1
1160 1 90 TRP HB2 1 92 TYR QD . . 7.640 4.333 4.131 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
1161 1 90 TRP HB2 1 92 TYR QE . . 7.630 3.160 2.803 3.623 . 0 0 "[ . 1 . 2 . 3 ]" 1
1162 1 90 TRP HB3 1 91 GLU H . . 4.940 3.196 2.787 3.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
1163 1 90 TRP HB3 1 92 TYR QD . . 7.640 3.413 3.123 3.606 . 0 0 "[ . 1 . 2 . 3 ]" 1
1164 1 90 TRP HB3 1 92 TYR QE . . 7.630 2.006 1.995 2.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
1165 1 90 TRP HD1 1 91 GLU H . . 5.500 3.695 3.540 3.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
1166 1 90 TRP HD1 1 92 TYR QE . . 7.630 4.688 3.862 5.080 . 0 0 "[ . 1 . 2 . 3 ]" 1
1167 1 91 GLU H 1 91 GLU HB2 . . 3.360 2.529 2.409 3.083 . 0 0 "[ . 1 . 2 . 3 ]" 1
1168 1 91 GLU H 1 91 GLU HB3 . . 3.760 3.593 2.576 3.757 . 0 0 "[ . 1 . 2 . 3 ]" 1
1169 1 91 GLU H 1 92 TYR H . . 5.000 4.435 4.358 4.485 . 0 0 "[ . 1 . 2 . 3 ]" 1
1170 1 91 GLU HA 1 92 TYR H . . 2.900 2.199 2.185 2.266 . 0 0 "[ . 1 . 2 . 3 ]" 1
1171 1 91 GLU HA 1 92 TYR QD . . 7.640 3.657 3.114 3.877 . 0 0 "[ . 1 . 2 . 3 ]" 1
1172 1 91 GLU HA 1 92 TYR QE . . 7.630 5.035 4.640 5.264 . 0 0 "[ . 1 . 2 . 3 ]" 1
1173 1 91 GLU HB2 1 92 TYR H . . 4.450 4.172 3.882 4.312 . 0 0 "[ . 1 . 2 . 3 ]" 1
1174 1 91 GLU HB3 1 92 TYR H . . 4.140 3.131 2.785 4.102 . 0 0 "[ . 1 . 2 . 3 ]" 1
1175 1 91 GLU QG 1 92 TYR H . . 5.000 3.671 2.229 4.092 . 0 0 "[ . 1 . 2 . 3 ]" 1
1176 1 92 TYR H 1 92 TYR HB2 . . 4.200 2.754 2.699 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
1177 1 92 TYR H 1 92 TYR HB3 . . 3.920 3.838 3.788 3.868 . 0 0 "[ . 1 . 2 . 3 ]" 1
1178 1 92 TYR H 1 92 TYR QD . . 5.000 3.305 3.022 3.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
1179 1 92 TYR H 1 93 GLY H . . 5.190 4.423 4.417 4.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
1180 1 92 TYR HA 1 93 GLY H . . 2.590 2.386 2.355 2.410 . 0 0 "[ . 1 . 2 . 3 ]" 1
1181 1 92 TYR HB2 1 93 GLY H . . 3.700 3.728 3.702 3.775 0.075 11 0 "[ . 1 . 2 . 3 ]" 1
1182 1 92 TYR HB3 1 93 GLY H . . 3.300 2.478 2.432 2.555 . 0 0 "[ . 1 . 2 . 3 ]" 1
1183 1 92 TYR QD 1 93 GLY H . . 5.500 3.542 3.366 3.681 . 0 0 "[ . 1 . 2 . 3 ]" 1
1184 1 92 TYR QD 1 93 GLY HA3 . . 7.640 5.779 5.589 5.870 . 0 0 "[ . 1 . 2 . 3 ]" 1
1185 1 93 GLY H 1 93 GLY HA3 . . 2.930 2.901 2.801 2.933 0.003 5 0 "[ . 1 . 2 . 3 ]" 1
1186 1 93 GLY H 1 94 GLU H . . 4.500 4.595 4.574 4.626 0.126 16 0 "[ . 1 . 2 . 3 ]" 1
1187 1 93 GLY HA2 1 94 GLU H . . 2.900 2.944 2.917 3.026 0.126 31 0 "[ . 1 . 2 . 3 ]" 1
1188 1 93 GLY HA3 1 94 GLU H . . 2.900 2.250 2.204 2.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
1189 1 94 GLU H 1 94 GLU HB2 . . 3.610 2.759 2.553 3.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
1190 1 94 GLU H 1 94 GLU HB3 . . 3.760 2.578 2.326 3.478 . 0 0 "[ . 1 . 2 . 3 ]" 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 2
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 21.370
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0117
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.0222
_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 88 GLY 0.689 0.032 24 0 "[ . 1 . 2 . 3 ]"
1 89 PRO 0.689 0.032 24 0 "[ . 1 . 2 . 3 ]"
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 88 GLY HA3 1 89 PRO CA . 2.610 . 2.588 2.578 2.596 0.032 24 0 "[ . 1 . 2 . 3 ]" 2
2 1 88 GLY HA2 1 89 PRO CA . 2.610 . 2.874 2.863 2.885 . 0 0 "[ . 1 . 2 . 3 ]" 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 40
_Distance_constraint_stats_list.Viol_count 1228
_Distance_constraint_stats_list.Viol_total 16956.293
_Distance_constraint_stats_list.Viol_max 1.426
_Distance_constraint_stats_list.Viol_rms 0.3339
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4411
_Distance_constraint_stats_list.Viol_average_violations_only 0.4454
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 TRP 20.335 0.567 27 1 "[ . 1 . 2 . + 3 ]"
1 8 CYS 74.498 0.913 28 31 [******-********************+***]
1 9 PHE 125.717 1.426 27 31 [****************-*********+****]
1 10 THR 50.755 0.827 17 28 "[*************** +**** ***** **-]"
1 11 LEU 12.221 0.396 12 0 "[ . 1 . 2 . 3 ]"
1 27 LEU 19.363 0.662 21 4 "[ . 1 . -2+ . **]"
1 28 VAL 81.492 1.120 30 30 "[********************-***** **+*]"
1 29 TYR 86.492 1.282 28 31 [****-**********************+***]
1 30 GLN 23.785 0.537 16 1 "[ . 1 .+ 2 . 3 ]"
1 32 GLU 52.318 0.708 31 26 "[* ********** *******- * .*****+]"
1 40 HIS 52.318 0.708 31 26 "[* ********** *******- * .*****+]"
1 41 PHE 12.221 0.396 12 0 "[ . 1 . 2 . 3 ]"
1 42 GLN 23.785 0.537 16 1 "[ . 1 .+ 2 . 3 ]"
1 43 GLY 125.717 1.426 27 31 [****************-*********+****]
1 44 TYR 81.492 1.120 30 30 "[********************-***** **+*]"
1 45 ILE 20.335 0.567 27 1 "[ . 1 . 2 . + 3 ]"
1 64 HIS 50.755 0.827 17 28 "[*************** +**** ***** **-]"
1 66 GLU 74.498 0.913 28 31 [******-********************+***]
1 90 TRP 86.492 1.282 28 31 [****-**********************+***]
1 92 TYR 19.363 0.662 21 4 "[ . 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 7 TRP N 1 45 ILE O . . 2.700 2.769 2.683 2.909 0.209 25 0 "[ . 1 . 2 . 3 ]" 3
2 1 7 TRP H 1 45 ILE O . . 1.800 1.936 1.855 2.099 0.299 25 0 "[ . 1 . 2 . 3 ]" 3
3 1 7 TRP O 1 45 ILE N . . 2.700 2.924 2.728 3.186 0.486 27 0 "[ . 1 . 2 . 3 ]" 3
4 1 7 TRP O 1 45 ILE H . . 1.800 2.027 1.795 2.367 0.567 27 1 "[ . 1 . 2 . + 3 ]" 3
5 1 9 PHE N 1 43 GLY O . . 2.700 3.613 3.348 4.126 1.426 27 31 [****************-*********+****] 3
6 1 9 PHE H 1 43 GLY O . . 1.800 2.685 2.436 3.208 1.408 27 31 [****************-*********+****] 3
7 1 9 PHE O 1 43 GLY N . . 2.700 3.843 3.728 3.992 1.292 27 31 [**************-***********+****] 3
8 1 9 PHE O 1 43 GLY H . . 1.800 2.915 2.808 3.135 1.335 11 31 [**********+****************-***] 3
9 1 11 LEU N 1 41 PHE O . . 2.700 2.872 2.722 3.096 0.396 12 0 "[ . 1 . 2 . 3 ]" 3
10 1 11 LEU H 1 41 PHE O . . 1.800 1.908 1.787 2.131 0.331 12 0 "[ . 1 . 2 . 3 ]" 3
11 1 11 LEU O 1 41 PHE N . . 2.700 2.737 2.702 2.800 0.100 9 0 "[ . 1 . 2 . 3 ]" 3
12 1 11 LEU O 1 41 PHE H . . 1.800 1.877 1.805 1.996 0.196 11 0 "[ . 1 . 2 . 3 ]" 3
13 1 8 CYS N 1 66 GLU O . . 2.700 3.476 3.275 3.585 0.885 29 31 [***************-************+**] 3
14 1 8 CYS H 1 66 GLU O . . 1.800 2.601 2.388 2.713 0.913 28 31 [***************-***********+***] 3
15 1 8 CYS O 1 66 GLU N . . 2.700 2.968 2.703 3.101 0.401 23 0 "[ . 1 . 2 . 3 ]" 3
16 1 8 CYS O 1 66 GLU H . . 1.800 2.359 2.107 2.502 0.702 23 24 "[***** - ******. * ***+** *****]" 3
17 1 10 THR N 1 64 HIS O . . 2.700 2.863 2.744 2.948 0.248 8 0 "[ . 1 . 2 . 3 ]" 3
18 1 10 THR H 1 64 HIS O . . 1.800 1.967 1.837 2.063 0.263 8 0 "[ . 1 . 2 . 3 ]" 3
19 1 10 THR O 1 64 HIS N . . 2.700 3.379 3.032 3.527 0.827 17 28 "[************-** +**** ***** ***]" 3
20 1 10 THR O 1 64 HIS H . . 1.800 2.428 2.082 2.573 0.773 18 26 "[*********1** ** *+*** ***** **-]" 3
21 1 28 VAL N 1 44 TYR O . . 2.700 3.340 2.820 3.572 0.872 30 29 "[**************.*****-***** **+*]" 3
22 1 28 VAL H 1 44 TYR O . . 1.800 2.668 2.130 2.920 1.120 30 30 "[********************-***** **+*]" 3
23 1 28 VAL O 1 44 TYR N . . 2.700 3.069 2.773 3.186 0.486 30 0 "[ . 1 . 2 . 3 ]" 3
24 1 28 VAL O 1 44 TYR H . . 1.800 2.552 2.178 2.727 0.927 17 29 "[**************.-+********* ****]" 3
25 1 30 GLN N 1 42 GLN O . . 2.700 2.808 2.658 3.030 0.330 26 0 "[ . 1 . 2 . 3 ]" 3
26 1 30 GLN H 1 42 GLN O . . 1.800 1.957 1.792 2.229 0.429 22 0 "[ . 1 . 2 . 3 ]" 3
27 1 30 GLN O 1 42 GLN N . . 2.700 2.977 2.732 3.237 0.537 16 1 "[ . 1 .+ 2 . 3 ]" 3
28 1 30 GLN O 1 42 GLN H . . 1.800 2.023 1.802 2.262 0.462 16 0 "[ . 1 . 2 . 3 ]" 3
29 1 32 GLU N 1 40 HIS O . . 2.700 3.024 2.822 3.239 0.539 30 4 "[ . 1 *.* 2- . + ]" 3
30 1 32 GLU H 1 40 HIS O . . 1.800 2.097 1.855 2.370 0.570 30 3 "[ . 1 . 2* . - + ]" 3
31 1 32 GLU O 1 40 HIS N . . 2.700 3.262 3.112 3.408 0.708 31 26 "[* ********** *****-** * .*****+]" 3
32 1 32 GLU O 1 40 HIS H . . 1.800 2.304 2.158 2.438 0.638 31 16 "[* **. **** * - * 2* * .** *3+]" 3
33 1 27 LEU N 1 92 TYR O . . 2.700 2.909 2.778 3.178 0.478 30 0 "[ . 1 . 2 . 3 ]" 3
34 1 27 LEU H 1 92 TYR O . . 1.800 2.038 1.906 2.462 0.662 21 4 "[ . 1 . -2+ . **]" 3
35 1 27 LEU O 1 92 TYR N . . 2.700 2.769 2.708 2.937 0.237 21 0 "[ . 1 . 2 . 3 ]" 3
36 1 27 LEU O 1 92 TYR H . . 1.800 1.908 1.822 2.202 0.402 31 0 "[ . 1 . 2 . 3 ]" 3
37 1 29 TYR N 1 90 TRP O . . 2.700 3.308 3.080 3.574 0.874 25 28 "[****-*********** *** ** +******]" 3
38 1 29 TYR H 1 90 TRP O . . 1.800 2.414 2.122 2.728 0.928 25 29 "[****-*********** ****** +******]" 3
39 1 29 TYR O 1 90 TRP N . . 2.700 3.314 3.117 3.605 0.905 28 26 "[ ****- *** ************ ***+ **]" 3
40 1 29 TYR O 1 90 TRP H . . 1.800 2.754 2.538 3.082 1.282 28 31 [***********************-***+***] 3
stop_
save_
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