NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412096 |
2b3i   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2b3i
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 14
_Distance_constraint_stats_list.Viol_count 205
_Distance_constraint_stats_list.Viol_total 50.922
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0107
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0101
_Distance_constraint_stats_list.Viol_average_violations_only 0.0131
_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 39 HIS 1.174 0.040 18 0 "[ . 1 . ]"
1 82 CYS 0.946 0.043 19 0 "[ . 1 . ]"
1 85 HIS 1.046 0.047 13 0 "[ . 1 . ]"
1 90 MET 0.797 0.035 14 0 "[ . 1 . ]"
2 1 CU1 1.397 0.047 13 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 39 HIS CG 2 1 CU1 CU . 3.040 3.140 3.153 3.110 3.180 0.040 18 0 "[ . 1 . ]" 1
2 1 39 HIS ND1 1 82 CYS SG . 3.500 3.600 3.598 3.498 3.629 0.029 6 0 "[ . 1 . ]" 1
3 1 39 HIS ND1 1 85 HIS ND1 . 3.300 3.400 3.330 3.275 3.408 0.025 14 0 "[ . 1 . ]" 1
4 1 39 HIS ND1 1 90 MET SD . 4.010 4.110 4.001 3.975 4.110 0.035 14 0 "[ . 1 . ]" 1
5 1 39 HIS ND1 2 1 CU1 CU . . 2.100 1.990 1.976 2.032 0.024 3 0 "[ . 1 . ]" 1
6 1 82 CYS CB 2 1 CU1 CU . 3.520 3.620 3.532 3.497 3.611 0.023 6 0 "[ . 1 . ]" 1
7 1 82 CYS SG 1 85 HIS ND1 . 3.520 3.620 3.618 3.525 3.663 0.043 19 0 "[ . 1 . ]" 1
8 1 82 CYS SG 1 90 MET SD . 4.220 4.320 4.211 4.189 4.245 0.031 17 0 "[ . 1 . ]" 1
9 1 82 CYS SG 2 1 CU1 CU . 2.250 2.350 2.349 2.302 2.366 0.016 6 0 "[ . 1 . ]" 1
10 1 85 HIS CG 2 1 CU1 CU . 3.040 3.140 3.099 3.029 3.187 0.047 13 0 "[ . 1 . ]" 1
11 1 85 HIS ND1 1 90 MET SD . 4.010 4.110 4.031 3.980 4.119 0.030 12 0 "[ . 1 . ]" 1
12 1 85 HIS ND1 2 1 CU1 CU . . 2.100 2.020 1.965 2.110 0.035 13 0 "[ . 1 . ]" 1
13 1 90 MET CG 2 1 CU1 CU . 4.060 4.160 4.138 4.058 4.176 0.016 11 0 "[ . 1 . ]" 1
14 1 90 MET SD 2 1 CU1 CU . 2.850 2.950 2.929 2.840 2.961 0.011 18 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1194
_Distance_constraint_stats_list.Viol_count 1775
_Distance_constraint_stats_list.Viol_total 886.272
_Distance_constraint_stats_list.Viol_max 0.258
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0263
_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 1 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 3 VAL 0.141 0.024 15 0 "[ . 1 . ]"
1 4 GLN 0.306 0.034 18 0 "[ . 1 . ]"
1 5 ILE 1.194 0.074 15 0 "[ . 1 . ]"
1 6 LYS 0.590 0.049 10 0 "[ . 1 . ]"
1 7 MET 0.604 0.044 5 0 "[ . 1 . ]"
1 8 GLY 2.225 0.150 16 0 "[ . 1 . ]"
1 9 THR 0.869 0.080 9 0 "[ . 1 . ]"
1 10 ASP 1.312 0.106 15 0 "[ . 1 . ]"
1 11 LYS 0.096 0.032 14 0 "[ . 1 . ]"
1 12 TYR 1.186 0.072 10 0 "[ . 1 . ]"
1 13 ALA 0.087 0.045 15 0 "[ . 1 . ]"
1 14 PRO 2.281 0.150 16 0 "[ . 1 . ]"
1 15 LEU 1.517 0.080 9 0 "[ . 1 . ]"
1 16 TYR 1.044 0.074 16 0 "[ . 1 . ]"
1 17 GLU 2.445 0.135 3 0 "[ . 1 . ]"
1 18 PRO 1.980 0.135 3 0 "[ . 1 . ]"
1 19 LYS 0.472 0.041 17 0 "[ . 1 . ]"
1 20 ALA 0.446 0.030 14 0 "[ . 1 . ]"
1 21 LEU 0.733 0.059 15 0 "[ . 1 . ]"
1 22 SER 0.370 0.059 15 0 "[ . 1 . ]"
1 23 ILE 2.533 0.069 19 0 "[ . 1 . ]"
1 24 SER 0.538 0.121 3 0 "[ . 1 . ]"
1 25 ALA 0.707 0.121 3 0 "[ . 1 . ]"
1 26 GLY 0.070 0.011 7 0 "[ . 1 . ]"
1 27 ASP 1.834 0.069 12 0 "[ . 1 . ]"
1 28 THR 2.838 0.128 3 0 "[ . 1 . ]"
1 29 VAL 2.847 0.104 12 0 "[ . 1 . ]"
1 30 GLU 1.402 0.083 17 0 "[ . 1 . ]"
1 31 PHE 0.556 0.045 1 0 "[ . 1 . ]"
1 32 VAL 0.117 0.035 10 0 "[ . 1 . ]"
1 33 MET 0.671 0.117 7 0 "[ . 1 . ]"
1 34 ASN 0.281 0.077 15 0 "[ . 1 . ]"
1 35 LYS 1.855 0.117 7 0 "[ . 1 . ]"
1 36 VAL 1.444 0.258 16 0 "[ . 1 . ]"
1 37 GLY 0.276 0.057 15 0 "[ . 1 . ]"
1 38 PRO 0.101 0.027 12 0 "[ . 1 . ]"
1 39 HIS 0.711 0.052 9 0 "[ . 1 . ]"
1 40 ASN 1.211 0.063 19 0 "[ . 1 . ]"
1 41 VAL 0.326 0.063 19 0 "[ . 1 . ]"
1 42 ILE 0.329 0.042 10 0 "[ . 1 . ]"
1 43 PHE 0.703 0.077 12 0 "[ . 1 . ]"
1 44 ASP 0.458 0.043 13 0 "[ . 1 . ]"
1 45 LYS 0.029 0.008 15 0 "[ . 1 . ]"
1 46 VAL 0.391 0.045 7 0 "[ . 1 . ]"
1 47 PRO 0.147 0.038 10 0 "[ . 1 . ]"
1 48 ALA 0.352 0.137 12 0 "[ . 1 . ]"
1 49 GLY 0.251 0.137 12 0 "[ . 1 . ]"
1 50 GLU 0.486 0.048 12 0 "[ . 1 . ]"
1 51 SER 0.977 0.074 12 0 "[ . 1 . ]"
1 52 ALA 0.742 0.074 12 0 "[ . 1 . ]"
1 53 PRO 1.234 0.074 2 0 "[ . 1 . ]"
1 54 ALA 0.976 0.074 2 0 "[ . 1 . ]"
1 55 LEU 0.501 0.070 18 0 "[ . 1 . ]"
1 56 SER 1.081 0.066 6 0 "[ . 1 . ]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 58 THR 0.472 0.208 11 0 "[ . 1 . ]"
1 59 LYS 0.007 0.007 13 0 "[ . 1 . ]"
1 60 LEU 0.747 0.084 10 0 "[ . 1 . ]"
1 61 ALA 0.446 0.063 15 0 "[ . 1 . ]"
1 62 ILE 0.356 0.042 11 0 "[ . 1 . ]"
1 63 ALA 0.152 0.022 15 0 "[ . 1 . ]"
1 64 PRO 0.086 0.026 9 0 "[ . 1 . ]"
1 65 GLY 0.120 0.026 9 0 "[ . 1 . ]"
1 66 SER 0.025 0.011 11 0 "[ . 1 . ]"
1 67 PHE 0.249 0.033 6 0 "[ . 1 . ]"
1 68 TYR 1.399 0.116 6 0 "[ . 1 . ]"
1 69 SER 1.661 0.116 6 0 "[ . 1 . ]"
1 70 VAL 1.765 0.083 17 0 "[ . 1 . ]"
1 71 THR 3.360 0.145 11 0 "[ . 1 . ]"
1 72 LEU 0.266 0.021 5 0 "[ . 1 . ]"
1 73 GLY 1.032 0.058 3 0 "[ . 1 . ]"
1 74 THR 0.114 0.010 1 0 "[ . 1 . ]"
1 75 PRO 0.384 0.034 15 0 "[ . 1 . ]"
1 76 GLY 0.402 0.032 14 0 "[ . 1 . ]"
1 77 THR 0.542 0.047 16 0 "[ . 1 . ]"
1 78 TYR 0.988 0.051 14 0 "[ . 1 . ]"
1 79 SER 1.634 0.061 14 0 "[ . 1 . ]"
1 80 PHE 1.024 0.060 14 0 "[ . 1 . ]"
1 81 TYR 1.383 0.077 12 0 "[ . 1 . ]"
1 82 CYS 0.800 0.122 18 0 "[ . 1 . ]"
1 83 THR 0.229 0.062 19 0 "[ . 1 . ]"
1 84 PRO 0.154 0.037 15 0 "[ . 1 . ]"
1 85 HIS 1.227 0.116 16 0 "[ . 1 . ]"
1 86 ARG 1.153 0.122 18 0 "[ . 1 . ]"
1 87 GLY 0.061 0.061 17 0 "[ . 1 . ]"
1 88 ALA 0.530 0.064 17 0 "[ . 1 . ]"
1 89 GLY 0.530 0.064 17 0 "[ . 1 . ]"
1 90 MET 0.833 0.077 16 0 "[ . 1 . ]"
1 91 VAL 0.723 0.068 10 0 "[ . 1 . ]"
1 92 GLY 0.052 0.021 7 0 "[ . 1 . ]"
1 93 THR 2.214 0.100 19 0 "[ . 1 . ]"
1 94 ILE 1.614 0.100 19 0 "[ . 1 . ]"
1 95 THR 0.439 0.040 19 0 "[ . 1 . ]"
1 96 VAL 1.685 0.062 16 0 "[ . 1 . ]"
1 97 GLU 0.423 0.039 16 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 SER H . . 2.930 2.309 2.187 2.564 . 0 0 "[ . 1 . ]" 2
2 1 1 ALA MB 1 2 SER HA . . 6.530 4.527 4.156 5.008 . 0 0 "[ . 1 . ]" 2
3 1 2 SER H 1 2 SER QB . . 3.920 2.884 2.368 3.461 . 0 0 "[ . 1 . ]" 2
4 1 2 SER HA 1 3 VAL H . . 2.620 2.347 2.215 2.566 . 0 0 "[ . 1 . ]" 2
5 1 2 SER HA 1 3 VAL MG2 . . 6.370 3.575 3.187 3.994 . 0 0 "[ . 1 . ]" 2
6 1 2 SER HA 1 28 THR HB . . 5.500 3.259 2.349 4.067 . 0 0 "[ . 1 . ]" 2
7 1 2 SER QB 1 3 VAL H . . 4.360 3.308 2.322 3.957 . 0 0 "[ . 1 . ]" 2
8 1 3 VAL H 1 3 VAL HB . . 3.670 3.626 3.497 3.694 0.024 15 0 "[ . 1 . ]" 2
9 1 3 VAL H 1 3 VAL MG2 . . 4.730 1.912 1.871 1.987 . 0 0 "[ . 1 . ]" 2
10 1 3 VAL H 1 4 GLN H . . 4.510 4.462 4.422 4.508 . 0 0 "[ . 1 . ]" 2
11 1 3 VAL H 1 29 VAL HA . . 3.390 3.074 2.806 3.394 0.004 16 0 "[ . 1 . ]" 2
12 1 3 VAL H 1 29 VAL MG2 . . 6.530 3.717 3.321 4.337 . 0 0 "[ . 1 . ]" 2
13 1 3 VAL H 1 30 GLU H . . 3.980 3.837 3.583 3.984 0.004 8 0 "[ . 1 . ]" 2
14 1 3 VAL HA 1 3 VAL HB . . 2.830 2.544 2.422 2.660 . 0 0 "[ . 1 . ]" 2
15 1 3 VAL HA 1 4 GLN H . . 2.620 2.603 2.507 2.629 0.009 12 0 "[ . 1 . ]" 2
16 1 3 VAL HA 1 4 GLN QG . . 6.380 3.269 2.893 3.528 . 0 0 "[ . 1 . ]" 2
17 1 3 VAL HB 1 4 GLN H . . 2.800 2.228 2.164 2.415 . 0 0 "[ . 1 . ]" 2
18 1 3 VAL HB 1 21 LEU QD . . 6.860 1.897 1.784 2.111 . 0 0 "[ . 1 . ]" 2
19 1 3 VAL HB 1 29 VAL HA . . 5.070 4.303 3.925 4.661 . 0 0 "[ . 1 . ]" 2
20 1 3 VAL MG1 1 4 GLN H . . 5.940 3.467 3.147 3.786 . 0 0 "[ . 1 . ]" 2
21 1 3 VAL MG1 1 29 VAL MG1 . . 7.560 4.852 4.434 5.148 . 0 0 "[ . 1 . ]" 2
22 1 3 VAL MG1 1 29 VAL MG2 . . 6.970 4.144 3.793 4.627 . 0 0 "[ . 1 . ]" 2
23 1 3 VAL MG1 1 30 GLU H . . 6.530 5.493 5.471 5.509 . 0 0 "[ . 1 . ]" 2
24 1 3 VAL MG2 1 4 GLN H . . 5.190 3.455 3.064 3.755 . 0 0 "[ . 1 . ]" 2
25 1 3 VAL MG2 1 22 SER H . . 5.500 4.316 4.277 4.442 . 0 0 "[ . 1 . ]" 2
26 1 3 VAL MG2 1 29 VAL MG1 . . 6.320 2.683 2.029 3.231 . 0 0 "[ . 1 . ]" 2
27 1 4 GLN H 1 4 GLN QB . . 3.650 3.180 2.838 3.284 . 0 0 "[ . 1 . ]" 2
28 1 4 GLN H 1 4 GLN HG2 . . 3.890 2.599 1.951 3.665 . 0 0 "[ . 1 . ]" 2
29 1 4 GLN H 1 4 GLN HG3 . . 3.890 2.914 1.974 3.679 . 0 0 "[ . 1 . ]" 2
30 1 4 GLN H 1 4 GLN QG . . 3.500 2.200 1.938 2.765 . 0 0 "[ . 1 . ]" 2
31 1 4 GLN H 1 5 ILE H . . 4.940 4.400 4.348 4.440 . 0 0 "[ . 1 . ]" 2
32 1 4 GLN HA 1 5 ILE H . . 2.680 2.419 2.324 2.507 . 0 0 "[ . 1 . ]" 2
33 1 4 GLN HA 1 29 VAL MG1 . . 6.530 3.368 3.072 3.682 . 0 0 "[ . 1 . ]" 2
34 1 4 GLN HA 1 30 GLU H . . 3.270 2.119 2.008 2.292 . 0 0 "[ . 1 . ]" 2
35 1 4 GLN HA 1 30 GLU HB2 . . 5.500 3.366 2.634 3.994 . 0 0 "[ . 1 . ]" 2
36 1 4 GLN HA 1 30 GLU HB3 . . 5.500 2.443 2.092 2.727 . 0 0 "[ . 1 . ]" 2
37 1 4 GLN HA 1 30 GLU QB . . 5.240 2.376 2.076 2.627 . 0 0 "[ . 1 . ]" 2
38 1 4 GLN HB2 1 5 ILE H . . 3.700 2.835 2.438 3.705 0.005 1 0 "[ . 1 . ]" 2
39 1 4 GLN HB3 1 5 ILE H . . 3.700 3.555 2.866 3.734 0.034 18 0 "[ . 1 . ]" 2
40 1 4 GLN QB 1 5 ILE H . . 3.380 2.620 2.406 2.886 . 0 0 "[ . 1 . ]" 2
41 1 4 GLN HE22 1 4 GLN QG . . 3.730 3.260 3.231 3.335 . 0 0 "[ . 1 . ]" 2
42 1 4 GLN HE22 1 32 VAL QG . . 8.090 4.889 3.013 5.884 . 0 0 "[ . 1 . ]" 2
43 1 5 ILE H 1 5 ILE HA . . 2.930 2.936 2.927 2.940 0.010 9 0 "[ . 1 . ]" 2
44 1 5 ILE H 1 5 ILE HB . . 3.140 2.451 2.279 2.632 . 0 0 "[ . 1 . ]" 2
45 1 5 ILE H 1 6 LYS H . . 4.230 4.225 4.101 4.279 0.049 10 0 "[ . 1 . ]" 2
46 1 5 ILE H 1 29 VAL MG1 . . 6.530 3.766 3.473 4.085 . 0 0 "[ . 1 . ]" 2
47 1 5 ILE H 1 30 GLU H . . 4.040 4.068 4.044 4.114 0.074 15 0 "[ . 1 . ]" 2
48 1 5 ILE H 1 31 PHE HA . . 3.520 2.185 2.041 2.543 . 0 0 "[ . 1 . ]" 2
49 1 5 ILE H 1 32 VAL H . . 4.230 3.465 3.223 3.767 . 0 0 "[ . 1 . ]" 2
50 1 5 ILE H 1 32 VAL QG . . 8.090 4.216 3.890 4.600 . 0 0 "[ . 1 . ]" 2
51 1 5 ILE HA 1 6 LYS H . . 2.560 2.180 2.176 2.189 . 0 0 "[ . 1 . ]" 2
52 1 5 ILE HA 1 18 PRO HD2 . . 5.500 2.985 2.710 3.250 . 0 0 "[ . 1 . ]" 2
53 1 5 ILE HA 1 18 PRO HD3 . . 5.500 3.584 3.036 3.954 . 0 0 "[ . 1 . ]" 2
54 1 5 ILE HA 1 18 PRO QD . . 5.370 2.841 2.609 3.092 . 0 0 "[ . 1 . ]" 2
55 1 5 ILE HB 1 5 ILE QG . . 2.590 2.175 2.167 2.234 . 0 0 "[ . 1 . ]" 2
56 1 5 ILE HB 1 31 PHE HA . . 4.760 2.814 2.452 3.499 . 0 0 "[ . 1 . ]" 2
57 1 5 ILE HB 1 31 PHE QD . . 7.620 2.895 2.326 3.736 . 0 0 "[ . 1 . ]" 2
58 1 5 ILE HB 1 31 PHE QE . . 7.620 3.175 2.568 3.689 . 0 0 "[ . 1 . ]" 2
59 1 5 ILE HB 1 32 VAL H . . 5.500 4.435 4.127 4.921 . 0 0 "[ . 1 . ]" 2
60 1 5 ILE MG 1 6 LYS H . . 4.080 3.046 2.811 3.266 . 0 0 "[ . 1 . ]" 2
61 1 5 ILE MG 1 16 TYR HA . . 4.670 3.718 3.474 3.852 . 0 0 "[ . 1 . ]" 2
62 1 5 ILE MG 1 16 TYR HB2 . . 6.400 4.740 4.354 4.931 . 0 0 "[ . 1 . ]" 2
63 1 5 ILE MG 1 16 TYR HB3 . . 4.790 3.453 2.948 3.733 . 0 0 "[ . 1 . ]" 2
64 1 5 ILE MG 1 16 TYR QE . . 6.920 2.672 2.268 3.179 . 0 0 "[ . 1 . ]" 2
65 1 5 ILE MG 1 17 GLU H . . 4.790 3.336 3.046 3.623 . 0 0 "[ . 1 . ]" 2
66 1 5 ILE MG 1 31 PHE QE . . 8.650 2.255 1.980 2.701 . 0 0 "[ . 1 . ]" 2
67 1 5 ILE MG 1 31 PHE HZ . . 5.570 3.951 3.618 4.312 . 0 0 "[ . 1 . ]" 2
68 1 5 ILE MG 1 80 PHE HZ . . 4.980 3.801 3.156 3.990 . 0 0 "[ . 1 . ]" 2
69 1 5 ILE QG 1 18 PRO QD . . 6.380 3.609 2.038 3.947 . 0 0 "[ . 1 . ]" 2
70 1 5 ILE QG 1 80 PHE HZ . . 5.350 3.464 3.062 4.002 . 0 0 "[ . 1 . ]" 2
71 1 5 ILE MD 1 16 TYR HB3 . . 6.530 3.534 2.317 4.339 . 0 0 "[ . 1 . ]" 2
72 1 5 ILE MD 1 17 GLU QB . . 6.780 4.905 4.803 4.966 . 0 0 "[ . 1 . ]" 2
73 1 5 ILE MD 1 18 PRO QD . . 7.400 2.064 1.792 3.334 . 0 0 "[ . 1 . ]" 2
74 1 5 ILE MD 1 21 LEU QB . . 6.570 2.530 2.228 3.228 . 0 0 "[ . 1 . ]" 2
75 1 5 ILE MD 1 29 VAL MG1 . . 6.190 3.578 3.318 3.848 . 0 0 "[ . 1 . ]" 2
76 1 5 ILE MD 1 31 PHE QE . . 8.280 4.045 2.582 4.509 . 0 0 "[ . 1 . ]" 2
77 1 5 ILE MD 1 31 PHE HZ . . 6.530 4.767 3.597 5.273 . 0 0 "[ . 1 . ]" 2
78 1 5 ILE MD 1 80 PHE HZ . . 4.850 2.717 2.007 3.426 . 0 0 "[ . 1 . ]" 2
79 1 6 LYS H 1 6 LYS HB2 . . 3.330 2.168 2.103 2.226 . 0 0 "[ . 1 . ]" 2
80 1 6 LYS H 1 6 LYS HB3 . . 3.330 3.345 3.316 3.375 0.045 17 0 "[ . 1 . ]" 2
81 1 6 LYS H 1 6 LYS QB . . 3.070 2.142 2.082 2.197 . 0 0 "[ . 1 . ]" 2
82 1 6 LYS H 1 6 LYS QD . . 5.260 4.265 3.524 4.649 . 0 0 "[ . 1 . ]" 2
83 1 6 LYS H 1 17 GLU QG . . 5.820 4.768 4.195 5.043 . 0 0 "[ . 1 . ]" 2
84 1 6 LYS H 1 18 PRO QD . . 5.540 3.375 3.244 3.597 . 0 0 "[ . 1 . ]" 2
85 1 6 LYS HA 1 7 MET H . . 2.490 2.236 2.181 2.370 . 0 0 "[ . 1 . ]" 2
86 1 6 LYS QB 1 17 GLU H . . 4.730 3.535 3.042 4.080 . 0 0 "[ . 1 . ]" 2
87 1 6 LYS QB 1 34 ASN HD21 . . 6.380 4.529 4.032 5.128 . 0 0 "[ . 1 . ]" 2
88 1 6 LYS QG 1 7 MET H . . 6.380 3.295 3.107 3.521 . 0 0 "[ . 1 . ]" 2
89 1 6 LYS QG 1 32 VAL HB . . 4.300 3.784 1.977 3.916 . 0 0 "[ . 1 . ]" 2
90 1 6 LYS QG 1 32 VAL QG . . 6.830 1.643 1.605 1.783 . 0 0 "[ . 1 . ]" 2
91 1 6 LYS QG 1 34 ASN HB2 . . 6.380 4.153 3.463 4.427 . 0 0 "[ . 1 . ]" 2
92 1 6 LYS QD 1 32 VAL QG . . 6.080 3.063 2.776 3.279 . 0 0 "[ . 1 . ]" 2
93 1 7 MET H 1 7 MET HB2 . . 3.550 2.380 2.188 2.619 . 0 0 "[ . 1 . ]" 2
94 1 7 MET H 1 7 MET HG2 . . 5.070 4.141 2.761 4.680 . 0 0 "[ . 1 . ]" 2
95 1 7 MET H 1 7 MET HG3 . . 5.070 3.298 2.173 4.215 . 0 0 "[ . 1 . ]" 2
96 1 7 MET H 1 7 MET QG . . 4.500 3.157 2.097 3.925 . 0 0 "[ . 1 . ]" 2
97 1 7 MET H 1 7 MET ME . . 5.410 3.763 3.034 4.469 . 0 0 "[ . 1 . ]" 2
98 1 7 MET H 1 32 VAL H . . 4.260 3.937 3.619 4.272 0.012 10 0 "[ . 1 . ]" 2
99 1 7 MET H 1 33 MET HA . . 2.770 2.650 2.499 2.795 0.025 15 0 "[ . 1 . ]" 2
100 1 7 MET H 1 34 ASN H . . 3.550 2.469 2.027 2.822 . 0 0 "[ . 1 . ]" 2
101 1 7 MET H 1 34 ASN HB2 . . 4.720 3.411 2.773 3.694 . 0 0 "[ . 1 . ]" 2
102 1 7 MET H 1 34 ASN HB3 . . 5.500 5.082 4.216 5.371 . 0 0 "[ . 1 . ]" 2
103 1 7 MET H 1 90 MET ME . . 6.530 4.645 4.099 5.296 . 0 0 "[ . 1 . ]" 2
104 1 7 MET HA 1 8 GLY H . . 2.930 2.232 2.206 2.251 . 0 0 "[ . 1 . ]" 2
105 1 7 MET HA 1 16 TYR HA . . 3.240 2.583 2.240 2.756 . 0 0 "[ . 1 . ]" 2
106 1 7 MET HA 1 16 TYR QE . . 7.630 4.386 4.064 4.733 . 0 0 "[ . 1 . ]" 2
107 1 7 MET HA 1 17 GLU H . . 3.420 3.444 3.431 3.464 0.044 5 0 "[ . 1 . ]" 2
108 1 7 MET HA 1 90 MET ME . . 5.010 2.446 2.010 2.943 . 0 0 "[ . 1 . ]" 2
109 1 7 MET HB2 1 7 MET ME . . 3.890 2.820 2.011 3.215 . 0 0 "[ . 1 . ]" 2
110 1 7 MET HB2 1 33 MET HA . . 3.860 2.085 1.994 2.253 . 0 0 "[ . 1 . ]" 2
111 1 7 MET HB2 1 33 MET QG . . 5.480 2.603 2.233 2.897 . 0 0 "[ . 1 . ]" 2
112 1 7 MET HB2 1 34 ASN H . . 4.170 2.982 2.706 3.324 . 0 0 "[ . 1 . ]" 2
113 1 7 MET HB2 1 39 HIS HD2 . . 4.230 4.054 3.203 4.259 0.029 14 0 "[ . 1 . ]" 2
114 1 7 MET HB3 1 8 GLY H . . 4.540 3.907 3.722 4.006 . 0 0 "[ . 1 . ]" 2
115 1 7 MET HB3 1 33 MET QG . . 3.990 3.284 2.607 3.635 . 0 0 "[ . 1 . ]" 2
116 1 7 MET HB3 1 34 ASN H . . 5.500 4.014 3.390 4.310 . 0 0 "[ . 1 . ]" 2
117 1 7 MET HB3 1 39 HIS HD2 . . 5.070 3.932 2.598 4.745 . 0 0 "[ . 1 . ]" 2
118 1 7 MET HB3 1 90 MET ME . . 5.690 2.312 1.785 3.500 . 0 0 "[ . 1 . ]" 2
119 1 7 MET HG2 1 16 TYR QE . . 7.630 2.602 2.068 3.321 . 0 0 "[ . 1 . ]" 2
120 1 7 MET HG3 1 16 TYR QE . . 7.630 2.697 2.025 4.394 . 0 0 "[ . 1 . ]" 2
121 1 7 MET QG 1 16 TYR QE . . 7.000 2.305 1.835 3.025 . 0 0 "[ . 1 . ]" 2
122 1 7 MET QG 1 33 MET HA . . 4.920 3.980 2.611 4.302 . 0 0 "[ . 1 . ]" 2
123 1 7 MET QG 1 90 MET ME . . 7.400 2.465 1.875 3.265 . 0 0 "[ . 1 . ]" 2
124 1 7 MET ME 1 16 TYR QE . . 8.660 3.017 1.938 3.793 . 0 0 "[ . 1 . ]" 2
125 1 8 GLY H 1 9 THR H . . 4.320 4.079 3.886 4.318 . 0 0 "[ . 1 . ]" 2
126 1 8 GLY H 1 15 LEU H . . 3.360 2.791 2.389 3.218 . 0 0 "[ . 1 . ]" 2
127 1 8 GLY H 1 15 LEU HA . . 4.570 4.523 4.240 4.600 0.030 6 0 "[ . 1 . ]" 2
128 1 8 GLY H 1 16 TYR HA . . 3.760 3.206 2.946 3.419 . 0 0 "[ . 1 . ]" 2
129 1 8 GLY H 1 17 GLU H . . 4.540 3.883 3.731 4.177 . 0 0 "[ . 1 . ]" 2
130 1 8 GLY H 1 90 MET ME . . 5.540 2.924 2.377 3.376 . 0 0 "[ . 1 . ]" 2
131 1 8 GLY HA2 1 9 THR H . . 2.960 2.291 2.221 2.424 . 0 0 "[ . 1 . ]" 2
132 1 8 GLY HA2 1 14 PRO HA . . 3.080 2.321 2.137 2.482 . 0 0 "[ . 1 . ]" 2
133 1 8 GLY HA2 1 15 LEU H . . 3.300 1.959 1.905 2.328 . 0 0 "[ . 1 . ]" 2
134 1 8 GLY HA2 1 35 LYS H . . 4.170 4.203 3.994 4.275 0.105 7 0 "[ . 1 . ]" 2
135 1 8 GLY HA2 1 36 VAL QG . . 8.090 3.125 2.619 3.883 . 0 0 "[ . 1 . ]" 2
136 1 8 GLY HA2 1 39 HIS HE1 . . 5.500 4.161 3.542 5.134 . 0 0 "[ . 1 . ]" 2
137 1 8 GLY HA2 1 39 HIS HE2 . . 5.500 4.943 4.116 5.435 . 0 0 "[ . 1 . ]" 2
138 1 8 GLY HA3 1 9 THR H . . 3.450 3.039 2.838 3.187 . 0 0 "[ . 1 . ]" 2
139 1 8 GLY HA3 1 14 PRO HA . . 3.360 3.425 3.364 3.510 0.150 16 0 "[ . 1 . ]" 2
140 1 8 GLY HA3 1 35 LYS H . . 3.330 2.469 2.246 2.569 . 0 0 "[ . 1 . ]" 2
141 1 8 GLY HA3 1 39 HIS HE2 . . 4.380 3.971 3.247 4.378 . 0 0 "[ . 1 . ]" 2
142 1 9 THR H 1 9 THR HB . . 3.890 3.568 3.505 3.680 . 0 0 "[ . 1 . ]" 2
143 1 9 THR H 1 9 THR MG . . 4.110 2.906 2.596 3.225 . 0 0 "[ . 1 . ]" 2
144 1 9 THR H 1 10 ASP H . . 4.820 4.541 4.487 4.599 . 0 0 "[ . 1 . ]" 2
145 1 9 THR H 1 12 TYR H . . 4.790 4.811 4.762 4.852 0.062 15 0 "[ . 1 . ]" 2
146 1 9 THR H 1 13 ALA MB . . 6.060 3.394 3.177 3.609 . 0 0 "[ . 1 . ]" 2
147 1 9 THR H 1 14 PRO HA . . 3.830 3.673 3.414 3.840 0.010 11 0 "[ . 1 . ]" 2
148 1 9 THR H 1 15 LEU H . . 3.330 3.309 3.180 3.410 0.080 9 0 "[ . 1 . ]" 2
149 1 9 THR H 1 35 LYS QG . . 6.380 4.104 3.231 5.644 . 0 0 "[ . 1 . ]" 2
150 1 9 THR HA 1 10 ASP H . . 2.930 2.381 2.317 2.444 . 0 0 "[ . 1 . ]" 2
151 1 9 THR HA 1 17 GLU QG . . 6.380 5.727 5.576 5.759 . 0 0 "[ . 1 . ]" 2
152 1 9 THR HA 1 34 ASN HD21 . . 4.540 2.982 2.660 3.427 . 0 0 "[ . 1 . ]" 2
153 1 9 THR HA 1 34 ASN HD22 . . 4.230 3.628 3.012 4.109 . 0 0 "[ . 1 . ]" 2
154 1 9 THR HB 1 10 ASP H . . 2.960 2.733 2.596 2.885 . 0 0 "[ . 1 . ]" 2
155 1 9 THR HB 1 11 LYS H . . 3.330 2.357 2.213 2.612 . 0 0 "[ . 1 . ]" 2
156 1 9 THR HB 1 13 ALA H . . 4.010 3.942 3.760 4.055 0.045 15 0 "[ . 1 . ]" 2
157 1 9 THR MG 1 11 LYS H . . 6.530 4.043 3.948 4.117 . 0 0 "[ . 1 . ]" 2
158 1 9 THR MG 1 15 LEU H . . 4.920 3.609 2.818 3.954 . 0 0 "[ . 1 . ]" 2
159 1 9 THR MG 1 17 GLU H . . 6.530 4.881 4.554 5.151 . 0 0 "[ . 1 . ]" 2
160 1 9 THR MG 1 17 GLU HA . . 5.720 4.760 4.543 4.819 . 0 0 "[ . 1 . ]" 2
161 1 9 THR MG 1 34 ASN HD22 . . 6.530 4.962 4.642 5.286 . 0 0 "[ . 1 . ]" 2
162 1 9 THR HG1 1 11 LYS H . . 4.450 3.289 2.174 4.406 . 0 0 "[ . 1 . ]" 2
163 1 9 THR HG1 1 13 ALA MB . . 6.060 2.039 1.768 2.506 . 0 0 "[ . 1 . ]" 2
164 1 9 THR HG1 1 15 LEU H . . 5.500 4.372 2.877 5.503 0.003 10 0 "[ . 1 . ]" 2
165 1 10 ASP H 1 10 ASP HA . . 2.680 2.747 2.714 2.786 0.106 15 0 "[ . 1 . ]" 2
166 1 10 ASP H 1 10 ASP HB2 . . 3.140 2.319 2.055 2.736 . 0 0 "[ . 1 . ]" 2
167 1 10 ASP H 1 10 ASP HB3 . . 3.140 2.632 2.206 2.981 . 0 0 "[ . 1 . ]" 2
168 1 10 ASP H 1 10 ASP QB . . 2.960 2.121 2.020 2.190 . 0 0 "[ . 1 . ]" 2
169 1 10 ASP H 1 11 LYS H . . 3.450 2.653 2.602 2.714 . 0 0 "[ . 1 . ]" 2
170 1 10 ASP H 1 34 ASN HD22 . . 5.500 4.131 3.159 4.531 . 0 0 "[ . 1 . ]" 2
171 1 10 ASP HA 1 12 TYR H . . 3.580 3.406 3.222 3.469 . 0 0 "[ . 1 . ]" 2
172 1 10 ASP HA 1 34 ASN HD21 . . 4.070 3.809 3.339 4.085 0.015 19 0 "[ . 1 . ]" 2
173 1 10 ASP HA 1 34 ASN HD22 . . 5.500 4.852 3.686 5.489 . 0 0 "[ . 1 . ]" 2
174 1 10 ASP HA 1 35 LYS QD . . 6.040 2.718 1.997 3.940 . 0 0 "[ . 1 . ]" 2
175 1 11 LYS H 1 11 LYS HB2 . . 3.790 2.454 2.142 3.631 . 0 0 "[ . 1 . ]" 2
176 1 11 LYS H 1 11 LYS HB3 . . 3.790 3.080 2.584 3.443 . 0 0 "[ . 1 . ]" 2
177 1 11 LYS H 1 11 LYS QB . . 3.330 2.245 2.116 2.674 . 0 0 "[ . 1 . ]" 2
178 1 11 LYS H 1 11 LYS HG2 . . 5.100 4.012 2.018 4.698 . 0 0 "[ . 1 . ]" 2
179 1 11 LYS H 1 11 LYS HG3 . . 5.100 3.833 3.243 4.526 . 0 0 "[ . 1 . ]" 2
180 1 11 LYS H 1 12 TYR H . . 3.140 3.092 2.825 3.172 0.032 14 0 "[ . 1 . ]" 2
181 1 11 LYS H 1 13 ALA MB . . 6.470 3.715 3.543 4.045 . 0 0 "[ . 1 . ]" 2
182 1 11 LYS HA 1 12 TYR H . . 3.140 2.856 2.811 3.019 . 0 0 "[ . 1 . ]" 2
183 1 11 LYS HA 1 12 TYR QD . . 7.640 4.151 2.621 4.937 . 0 0 "[ . 1 . ]" 2
184 1 11 LYS HA 1 12 TYR QE . . 7.630 6.063 3.574 6.907 . 0 0 "[ . 1 . ]" 2
185 1 11 LYS QG 1 12 TYR QD . . 8.240 5.271 3.432 5.976 . 0 0 "[ . 1 . ]" 2
186 1 12 TYR H 1 12 TYR HA . . 2.800 2.243 2.219 2.249 . 0 0 "[ . 1 . ]" 2
187 1 12 TYR H 1 12 TYR HB2 . . 3.860 3.032 2.858 3.602 . 0 0 "[ . 1 . ]" 2
188 1 12 TYR H 1 12 TYR HB3 . . 3.860 3.893 3.876 3.932 0.072 10 0 "[ . 1 . ]" 2
189 1 12 TYR H 1 12 TYR QB . . 3.510 2.921 2.788 3.332 . 0 0 "[ . 1 . ]" 2
190 1 12 TYR H 1 13 ALA H . . 3.110 2.955 2.866 3.114 0.004 7 0 "[ . 1 . ]" 2
191 1 12 TYR H 1 36 VAL QG . . 8.090 4.421 3.533 5.202 . 0 0 "[ . 1 . ]" 2
192 1 12 TYR HA 1 13 ALA H . . 3.420 2.952 2.714 3.031 . 0 0 "[ . 1 . ]" 2
193 1 12 TYR HA 1 35 LYS QD . . 5.690 3.801 2.226 4.437 . 0 0 "[ . 1 . ]" 2
194 1 12 TYR HA 1 36 VAL MG1 . . 6.530 3.882 2.133 4.737 . 0 0 "[ . 1 . ]" 2
195 1 12 TYR HA 1 36 VAL MG2 . . 6.530 3.421 1.880 4.621 . 0 0 "[ . 1 . ]" 2
196 1 12 TYR HA 1 36 VAL QG . . 5.940 2.920 1.877 3.774 . 0 0 "[ . 1 . ]" 2
197 1 12 TYR HB2 1 36 VAL MG1 . . 9.650 5.783 4.166 6.316 . 0 0 "[ . 1 . ]" 2
198 1 12 TYR HB2 1 36 VAL MG2 . . 9.650 5.162 3.825 6.307 . 0 0 "[ . 1 . ]" 2
199 1 12 TYR HB3 1 36 VAL MG1 . . 9.650 4.857 3.325 5.536 . 0 0 "[ . 1 . ]" 2
200 1 12 TYR HB3 1 36 VAL MG2 . . 9.650 4.165 2.847 5.578 . 0 0 "[ . 1 . ]" 2
201 1 12 TYR QB 1 36 VAL QG . . 7.270 3.693 2.705 4.388 . 0 0 "[ . 1 . ]" 2
202 1 12 TYR QD 1 13 ALA H . . 7.640 4.946 4.768 5.074 . 0 0 "[ . 1 . ]" 2
203 1 12 TYR QD 1 35 LYS QB . . 8.520 4.815 3.498 5.683 . 0 0 "[ . 1 . ]" 2
204 1 12 TYR QD 1 35 LYS QG . . 8.520 4.098 2.584 5.847 . 0 0 "[ . 1 . ]" 2
205 1 12 TYR QD 1 35 LYS QD . . 7.490 4.917 2.731 5.629 . 0 0 "[ . 1 . ]" 2
206 1 12 TYR QD 1 35 LYS QE . . 8.520 3.535 1.999 5.265 . 0 0 "[ . 1 . ]" 2
207 1 12 TYR QD 1 36 VAL QG . . 10.230 3.342 2.053 4.651 . 0 0 "[ . 1 . ]" 2
208 1 12 TYR QE 1 35 LYS QE . . 8.510 4.017 2.842 5.391 . 0 0 "[ . 1 . ]" 2
209 1 12 TYR QE 1 36 VAL QG . . 10.220 4.430 3.194 6.191 . 0 0 "[ . 1 . ]" 2
210 1 13 ALA H 1 35 LYS QD . . 6.380 4.506 3.948 4.858 . 0 0 "[ . 1 . ]" 2
211 1 13 ALA H 1 36 VAL QG . . 7.500 3.560 2.784 4.105 . 0 0 "[ . 1 . ]" 2
212 1 13 ALA HA 1 14 PRO HG2 . . 5.500 4.363 4.349 4.392 . 0 0 "[ . 1 . ]" 2
213 1 13 ALA HA 1 14 PRO HG3 . . 5.500 4.229 4.192 4.318 . 0 0 "[ . 1 . ]" 2
214 1 13 ALA HA 1 14 PRO QG . . 4.980 3.824 3.815 3.863 . 0 0 "[ . 1 . ]" 2
215 1 13 ALA HA 1 36 VAL QG . . 7.620 3.409 2.986 3.967 . 0 0 "[ . 1 . ]" 2
216 1 13 ALA MB 1 15 LEU QD . . 7.050 2.235 1.723 3.902 . 0 0 "[ . 1 . ]" 2
217 1 14 PRO HA 1 15 LEU H . . 2.990 2.260 2.159 2.374 . 0 0 "[ . 1 . ]" 2
218 1 14 PRO HA 1 39 HIS HE1 . . 4.480 3.193 2.879 3.820 . 0 0 "[ . 1 . ]" 2
219 1 14 PRO HA 1 39 HIS HE2 . . 5.500 4.708 3.796 5.047 . 0 0 "[ . 1 . ]" 2
220 1 14 PRO HA 1 85 HIS HE1 . . 5.500 5.519 5.154 5.616 0.116 16 0 "[ . 1 . ]" 2
221 1 14 PRO HB2 1 39 HIS HE1 . . 4.850 3.424 2.776 3.930 . 0 0 "[ . 1 . ]" 2
222 1 14 PRO HB2 1 85 HIS QB . . 6.040 2.532 1.864 3.222 . 0 0 "[ . 1 . ]" 2
223 1 14 PRO HB2 1 85 HIS HD2 . . 5.500 3.624 2.573 4.487 . 0 0 "[ . 1 . ]" 2
224 1 14 PRO HB3 1 15 LEU H . . 4.600 4.431 4.213 4.580 . 0 0 "[ . 1 . ]" 2
225 1 14 PRO HB3 1 39 HIS HE1 . . 4.140 2.742 1.993 3.606 . 0 0 "[ . 1 . ]" 2
226 1 14 PRO HB3 1 85 HIS HD2 . . 5.500 3.962 2.992 4.630 . 0 0 "[ . 1 . ]" 2
227 1 14 PRO HB3 1 88 ALA MB . . 5.260 4.424 4.371 4.450 . 0 0 "[ . 1 . ]" 2
228 1 14 PRO HG2 1 85 HIS HD2 . . 5.500 3.620 2.519 5.000 . 0 0 "[ . 1 . ]" 2
229 1 14 PRO HG3 1 85 HIS HD2 . . 5.500 3.524 2.215 4.689 . 0 0 "[ . 1 . ]" 2
230 1 14 PRO QG 1 36 VAL QG . . 7.380 1.967 1.752 2.954 . 0 0 "[ . 1 . ]" 2
231 1 14 PRO QG 1 39 HIS HE1 . . 6.380 4.590 3.883 5.342 . 0 0 "[ . 1 . ]" 2
232 1 14 PRO QG 1 88 ALA MB . . 4.460 2.330 2.100 2.759 . 0 0 "[ . 1 . ]" 2
233 1 14 PRO QD 1 15 LEU H . . 5.590 4.613 4.388 4.855 . 0 0 "[ . 1 . ]" 2
234 1 14 PRO QD 1 36 VAL QG . . 7.630 2.277 1.977 2.745 . 0 0 "[ . 1 . ]" 2
235 1 15 LEU H 1 15 LEU QB . . 3.680 3.100 2.640 3.337 . 0 0 "[ . 1 . ]" 2
236 1 15 LEU H 1 39 HIS HE1 . . 5.500 4.604 4.181 5.256 . 0 0 "[ . 1 . ]" 2
237 1 15 LEU H 1 90 MET ME . . 6.530 3.448 2.908 3.959 . 0 0 "[ . 1 . ]" 2
238 1 15 LEU HA 1 16 TYR H . . 2.930 2.407 2.325 2.563 . 0 0 "[ . 1 . ]" 2
239 1 15 LEU HA 1 90 MET HB3 . . 3.790 3.786 3.624 3.841 0.051 19 0 "[ . 1 . ]" 2
240 1 15 LEU HA 1 90 MET ME . . 6.530 3.114 1.970 3.918 . 0 0 "[ . 1 . ]" 2
241 1 15 LEU HA 1 91 VAL H . . 4.600 4.537 4.316 4.652 0.052 12 0 "[ . 1 . ]" 2
242 1 15 LEU HB2 1 16 TYR H . . 3.920 2.973 2.571 3.940 0.020 10 0 "[ . 1 . ]" 2
243 1 15 LEU HB3 1 16 TYR H . . 3.920 3.808 3.285 3.994 0.074 16 0 "[ . 1 . ]" 2
244 1 15 LEU QB 1 16 TYR H . . 3.500 2.775 2.538 3.173 . 0 0 "[ . 1 . ]" 2
245 1 15 LEU QD 1 16 TYR H . . 6.640 3.064 1.905 3.710 . 0 0 "[ . 1 . ]" 2
246 1 15 LEU QD 1 17 GLU HA . . 6.490 3.731 3.506 3.984 . 0 0 "[ . 1 . ]" 2
247 1 16 TYR H 1 16 TYR HB2 . . 3.210 1.997 1.947 2.074 . 0 0 "[ . 1 . ]" 2
248 1 16 TYR H 1 16 TYR HB3 . . 3.670 3.332 3.275 3.393 . 0 0 "[ . 1 . ]" 2
249 1 16 TYR H 1 90 MET ME . . 6.530 3.301 2.448 4.174 . 0 0 "[ . 1 . ]" 2
250 1 16 TYR H 1 91 VAL H . . 4.790 3.770 3.332 4.363 . 0 0 "[ . 1 . ]" 2
251 1 16 TYR HA 1 17 GLU H . . 2.830 2.218 2.192 2.271 . 0 0 "[ . 1 . ]" 2
252 1 16 TYR HA 1 90 MET ME . . 5.910 2.864 2.208 3.578 . 0 0 "[ . 1 . ]" 2
253 1 16 TYR HB2 1 19 LYS HA . . 3.670 3.688 3.556 3.711 0.041 17 0 "[ . 1 . ]" 2
254 1 16 TYR HB3 1 17 GLU H . . 3.550 3.429 3.205 3.572 0.022 19 0 "[ . 1 . ]" 2
255 1 16 TYR HB3 1 17 GLU HA . . 4.760 4.186 4.019 4.346 . 0 0 "[ . 1 . ]" 2
256 1 16 TYR QD 1 90 MET ME . . 8.670 2.998 2.109 3.452 . 0 0 "[ . 1 . ]" 2
257 1 16 TYR QE 1 41 VAL QG . . 9.720 3.567 3.077 3.970 . 0 0 "[ . 1 . ]" 2
258 1 16 TYR QE 1 80 PHE QD . . 9.350 3.019 2.434 3.452 . 0 0 "[ . 1 . ]" 2
259 1 16 TYR QE 1 81 TYR HA . . 7.510 2.330 1.994 3.091 . 0 0 "[ . 1 . ]" 2
260 1 16 TYR QE 1 82 CYS H . . 7.630 2.794 2.363 3.290 . 0 0 "[ . 1 . ]" 2
261 1 16 TYR QE 1 82 CYS HB2 . . 7.630 2.903 1.992 3.580 . 0 0 "[ . 1 . ]" 2
262 1 16 TYR QE 1 82 CYS HB3 . . 7.630 4.102 2.367 5.094 . 0 0 "[ . 1 . ]" 2
263 1 16 TYR QE 1 90 MET HB3 . . 7.290 3.888 2.176 4.916 . 0 0 "[ . 1 . ]" 2
264 1 16 TYR QE 1 90 MET QG . . 7.800 3.532 2.374 5.233 . 0 0 "[ . 1 . ]" 2
265 1 16 TYR QE 1 90 MET ME . . 8.440 3.139 2.337 3.543 . 0 0 "[ . 1 . ]" 2
266 1 16 TYR QE 1 91 VAL HA . . 7.630 3.296 2.533 3.952 . 0 0 "[ . 1 . ]" 2
267 1 16 TYR QE 1 92 GLY H . . 7.630 4.338 3.616 5.434 . 0 0 "[ . 1 . ]" 2
268 1 16 TYR HH 1 41 VAL HA . . 3.610 3.467 3.328 3.606 . 0 0 "[ . 1 . ]" 2
269 1 16 TYR HH 1 41 VAL MG1 . . 6.530 4.794 4.569 5.097 . 0 0 "[ . 1 . ]" 2
270 1 16 TYR HH 1 41 VAL MG2 . . 6.530 4.438 4.144 4.686 . 0 0 "[ . 1 . ]" 2
271 1 16 TYR HH 1 41 VAL QG . . 5.560 4.082 3.973 4.181 . 0 0 "[ . 1 . ]" 2
272 1 16 TYR HH 1 42 ILE H . . 5.500 3.635 3.242 4.278 . 0 0 "[ . 1 . ]" 2
273 1 16 TYR HH 1 80 PHE QD . . 7.620 3.636 2.972 4.088 . 0 0 "[ . 1 . ]" 2
274 1 16 TYR HH 1 82 CYS H . . 3.830 3.794 3.379 3.844 0.014 7 0 "[ . 1 . ]" 2
275 1 16 TYR HH 1 82 CYS HA . . 5.500 2.580 2.237 2.949 . 0 0 "[ . 1 . ]" 2
276 1 16 TYR HH 1 82 CYS QB . . 4.180 3.041 1.985 3.503 . 0 0 "[ . 1 . ]" 2
277 1 16 TYR HH 1 90 MET ME . . 6.530 3.878 3.408 4.440 . 0 0 "[ . 1 . ]" 2
278 1 17 GLU H 1 17 GLU HB2 . . 3.480 2.993 2.830 3.374 . 0 0 "[ . 1 . ]" 2
279 1 17 GLU H 1 17 GLU HB3 . . 3.480 2.901 2.719 3.060 . 0 0 "[ . 1 . ]" 2
280 1 17 GLU H 1 17 GLU QB . . 3.260 2.616 2.502 2.734 . 0 0 "[ . 1 . ]" 2
281 1 17 GLU H 1 17 GLU QG . . 4.610 4.114 3.986 4.171 . 0 0 "[ . 1 . ]" 2
282 1 17 GLU H 1 18 PRO HA . . 4.380 4.482 4.409 4.515 0.135 3 0 "[ . 1 . ]" 2
283 1 17 GLU QB 1 18 PRO HA . . 4.270 3.381 3.186 3.450 . 0 0 "[ . 1 . ]" 2
284 1 17 GLU QG 1 18 PRO HB3 . . 3.590 3.162 2.940 3.276 . 0 0 "[ . 1 . ]" 2
285 1 18 PRO HA 1 19 LYS H . . 2.870 2.399 2.202 2.641 . 0 0 "[ . 1 . ]" 2
286 1 18 PRO HA 1 20 ALA H . . 4.380 4.124 3.892 4.379 . 0 0 "[ . 1 . ]" 2
287 1 18 PRO HB2 1 20 ALA H . . 3.210 2.520 2.424 2.627 . 0 0 "[ . 1 . ]" 2
288 1 18 PRO HB3 1 19 LYS H . . 3.790 3.478 3.193 3.805 0.015 1 0 "[ . 1 . ]" 2
289 1 18 PRO HB3 1 20 ALA H . . 4.140 4.131 4.080 4.147 0.007 8 0 "[ . 1 . ]" 2
290 1 18 PRO QG 1 21 LEU QD . . 8.420 3.326 3.076 3.726 . 0 0 "[ . 1 . ]" 2
291 1 19 LYS H 1 19 LYS QB . . 3.660 2.190 2.003 2.593 . 0 0 "[ . 1 . ]" 2
292 1 19 LYS H 1 20 ALA H . . 2.960 2.729 2.454 2.946 . 0 0 "[ . 1 . ]" 2
293 1 19 LYS QB 1 20 ALA H . . 5.040 3.056 2.731 4.113 . 0 0 "[ . 1 . ]" 2
294 1 19 LYS QE 1 91 VAL QG . . 7.410 3.656 2.053 4.949 . 0 0 "[ . 1 . ]" 2
295 1 20 ALA HA 1 21 LEU H . . 2.650 2.318 2.242 2.436 . 0 0 "[ . 1 . ]" 2
296 1 20 ALA HA 1 93 THR H . . 3.080 2.713 2.458 3.085 0.005 7 0 "[ . 1 . ]" 2
297 1 20 ALA HA 1 93 THR HB . . 3.140 3.161 3.151 3.170 0.030 14 0 "[ . 1 . ]" 2
298 1 20 ALA MB 1 93 THR H . . 6.000 4.150 3.821 4.573 . 0 0 "[ . 1 . ]" 2
299 1 20 ALA MB 1 93 THR HB . . 6.530 3.332 2.461 3.711 . 0 0 "[ . 1 . ]" 2
300 1 21 LEU H 1 21 LEU HA . . 2.900 2.904 2.868 2.918 0.018 19 0 "[ . 1 . ]" 2
301 1 21 LEU H 1 21 LEU HG . . 4.140 4.122 3.469 4.180 0.040 15 0 "[ . 1 . ]" 2
302 1 21 LEU H 1 22 SER H . . 4.320 4.334 4.312 4.379 0.059 15 0 "[ . 1 . ]" 2
303 1 21 LEU H 1 94 ILE HA . . 3.360 3.009 2.532 3.256 . 0 0 "[ . 1 . ]" 2
304 1 21 LEU H 1 95 THR H . . 4.290 4.119 4.011 4.284 . 0 0 "[ . 1 . ]" 2
305 1 21 LEU HA 1 22 SER H . . 2.400 2.279 2.250 2.353 . 0 0 "[ . 1 . ]" 2
306 1 21 LEU QB 1 22 SER H . . 4.730 3.564 2.803 3.653 . 0 0 "[ . 1 . ]" 2
307 1 21 LEU QB 1 94 ILE HA . . 6.380 3.010 2.754 4.391 . 0 0 "[ . 1 . ]" 2
308 1 21 LEU QB 1 94 ILE MG . . 5.330 3.613 3.537 3.713 . 0 0 "[ . 1 . ]" 2
309 1 21 LEU HG 1 22 SER H . . 3.580 3.123 2.635 3.573 . 0 0 "[ . 1 . ]" 2
310 1 21 LEU HG 1 22 SER HA . . 5.500 3.643 3.474 3.786 . 0 0 "[ . 1 . ]" 2
311 1 21 LEU HG 1 23 ILE MG . . 3.460 2.567 2.476 2.797 . 0 0 "[ . 1 . ]" 2
312 1 21 LEU QD 1 22 SER H . . 6.420 1.999 1.828 3.827 . 0 0 "[ . 1 . ]" 2
313 1 21 LEU QD 1 22 SER HA . . 7.260 3.703 3.443 4.235 . 0 0 "[ . 1 . ]" 2
314 1 21 LEU QD 1 95 THR H . . 8.100 4.125 3.522 4.390 . 0 0 "[ . 1 . ]" 2
315 1 22 SER H 1 22 SER HB2 . . 3.080 3.038 2.995 3.099 0.019 12 0 "[ . 1 . ]" 2
316 1 22 SER H 1 22 SER HB3 . . 3.080 2.757 2.577 2.819 . 0 0 "[ . 1 . ]" 2
317 1 22 SER H 1 22 SER QB . . 2.740 2.559 2.457 2.596 . 0 0 "[ . 1 . ]" 2
318 1 22 SER H 1 23 ILE H . . 4.570 4.421 4.403 4.480 . 0 0 "[ . 1 . ]" 2
319 1 22 SER HA 1 23 ILE H . . 2.620 2.320 2.292 2.356 . 0 0 "[ . 1 . ]" 2
320 1 22 SER HA 1 23 ILE MG . . 6.530 3.510 3.257 3.688 . 0 0 "[ . 1 . ]" 2
321 1 22 SER HA 1 94 ILE HA . . 4.200 3.863 3.711 4.041 . 0 0 "[ . 1 . ]" 2
322 1 22 SER HA 1 94 ILE MG . . 5.130 3.893 3.386 4.074 . 0 0 "[ . 1 . ]" 2
323 1 22 SER HA 1 95 THR H . . 3.170 2.171 2.086 2.437 . 0 0 "[ . 1 . ]" 2
324 1 22 SER HA 1 95 THR HB . . 5.500 2.341 1.994 3.870 . 0 0 "[ . 1 . ]" 2
325 1 22 SER HA 1 95 THR MG . . 5.290 3.637 1.771 3.986 . 0 0 "[ . 1 . ]" 2
326 1 22 SER HB2 1 23 ILE H . . 4.200 4.194 4.031 4.215 0.015 17 0 "[ . 1 . ]" 2
327 1 22 SER HB3 1 23 ILE H . . 4.200 3.925 3.828 4.046 . 0 0 "[ . 1 . ]" 2
328 1 22 SER QB 1 23 ILE H . . 4.000 3.602 3.543 3.673 . 0 0 "[ . 1 . ]" 2
329 1 22 SER QB 1 95 THR HB . . 6.160 3.231 2.620 4.510 . 0 0 "[ . 1 . ]" 2
330 1 23 ILE H 1 23 ILE HA . . 2.830 2.881 2.868 2.899 0.069 19 0 "[ . 1 . ]" 2
331 1 23 ILE H 1 23 ILE MG . . 4.330 3.128 2.886 3.249 . 0 0 "[ . 1 . ]" 2
332 1 23 ILE H 1 23 ILE HG12 . . 3.830 2.834 2.733 2.913 . 0 0 "[ . 1 . ]" 2
333 1 23 ILE H 1 23 ILE HG13 . . 3.830 2.961 2.784 3.215 . 0 0 "[ . 1 . ]" 2
334 1 23 ILE H 1 23 ILE QG . . 3.420 2.574 2.457 2.642 . 0 0 "[ . 1 . ]" 2
335 1 23 ILE H 1 23 ILE MD . . 5.660 4.244 4.144 4.297 . 0 0 "[ . 1 . ]" 2
336 1 23 ILE H 1 95 THR H . . 3.450 3.461 3.403 3.490 0.040 19 0 "[ . 1 . ]" 2
337 1 23 ILE H 1 95 THR HB . . 5.040 3.255 2.894 4.883 . 0 0 "[ . 1 . ]" 2
338 1 23 ILE H 1 96 VAL H . . 4.380 4.411 4.374 4.442 0.062 16 0 "[ . 1 . ]" 2
339 1 23 ILE H 1 96 VAL HA . . 3.020 2.979 2.871 3.030 0.010 2 0 "[ . 1 . ]" 2
340 1 23 ILE H 1 96 VAL QG . . 6.230 3.747 3.661 3.887 . 0 0 "[ . 1 . ]" 2
341 1 23 ILE H 1 97 GLU H . . 3.170 3.173 3.089 3.209 0.039 16 0 "[ . 1 . ]" 2
342 1 23 ILE HA 1 23 ILE HB . . 2.960 2.421 2.341 2.454 . 0 0 "[ . 1 . ]" 2
343 1 23 ILE HA 1 24 SER H . . 2.710 2.710 2.564 2.739 0.029 19 0 "[ . 1 . ]" 2
344 1 23 ILE HB 1 24 SER H . . 2.620 2.103 2.027 2.412 . 0 0 "[ . 1 . ]" 2
345 1 23 ILE HB 1 24 SER QB . . 6.380 4.579 4.241 4.924 . 0 0 "[ . 1 . ]" 2
346 1 23 ILE HB 1 27 ASP H . . 4.200 4.201 4.155 4.226 0.026 1 0 "[ . 1 . ]" 2
347 1 23 ILE HB 1 96 VAL QG . . 7.160 3.780 3.612 3.943 . 0 0 "[ . 1 . ]" 2
348 1 23 ILE HG12 1 24 SER H . . 4.420 4.378 4.263 4.426 0.006 1 0 "[ . 1 . ]" 2
349 1 23 ILE HG13 1 24 SER H . . 4.420 3.142 2.968 3.236 . 0 0 "[ . 1 . ]" 2
350 1 23 ILE QG 1 97 GLU H . . 4.800 3.872 3.630 3.976 . 0 0 "[ . 1 . ]" 2
351 1 23 ILE MD 1 24 SER H . . 5.970 3.420 3.342 3.641 . 0 0 "[ . 1 . ]" 2
352 1 23 ILE MD 1 27 ASP H . . 5.600 3.211 2.856 3.488 . 0 0 "[ . 1 . ]" 2
353 1 23 ILE MD 1 27 ASP HB2 . . 5.630 2.020 1.898 2.254 . 0 0 "[ . 1 . ]" 2
354 1 23 ILE MD 1 27 ASP HB3 . . 5.630 2.433 2.022 2.817 . 0 0 "[ . 1 . ]" 2
355 1 23 ILE MD 1 27 ASP QB . . 5.300 1.920 1.749 2.156 . 0 0 "[ . 1 . ]" 2
356 1 23 ILE MD 1 72 LEU H . . 6.470 3.536 3.289 3.925 . 0 0 "[ . 1 . ]" 2
357 1 24 SER H 1 24 SER QB . . 3.450 2.692 2.426 3.084 . 0 0 "[ . 1 . ]" 2
358 1 24 SER H 1 27 ASP H . . 4.140 3.643 3.582 3.764 . 0 0 "[ . 1 . ]" 2
359 1 24 SER H 1 27 ASP HB2 . . 3.450 2.416 2.309 2.485 . 0 0 "[ . 1 . ]" 2
360 1 24 SER H 1 27 ASP HB3 . . 3.450 3.449 3.361 3.481 0.031 12 0 "[ . 1 . ]" 2
361 1 24 SER HA 1 25 ALA H . . 2.620 2.553 2.364 2.741 0.121 3 0 "[ . 1 . ]" 2
362 1 24 SER HA 1 97 GLU H . . 2.960 2.773 2.616 2.966 0.006 12 0 "[ . 1 . ]" 2
363 1 24 SER HA 1 97 GLU QB . . 6.380 3.678 3.209 4.306 . 0 0 "[ . 1 . ]" 2
364 1 24 SER HB2 1 25 ALA H . . 3.580 3.301 2.269 3.598 0.018 3 0 "[ . 1 . ]" 2
365 1 24 SER HB3 1 25 ALA H . . 3.580 2.616 2.259 3.557 . 0 0 "[ . 1 . ]" 2
366 1 24 SER QB 1 25 ALA H . . 3.220 2.422 2.218 3.007 . 0 0 "[ . 1 . ]" 2
367 1 25 ALA H 1 26 GLY H . . 4.420 4.367 4.310 4.393 . 0 0 "[ . 1 . ]" 2
368 1 25 ALA H 1 96 VAL QG . . 6.510 2.740 2.554 3.266 . 0 0 "[ . 1 . ]" 2
369 1 25 ALA H 1 97 GLU QB . . 6.380 5.188 4.679 5.680 . 0 0 "[ . 1 . ]" 2
370 1 25 ALA HA 1 26 GLY H . . 2.490 2.211 2.204 2.224 . 0 0 "[ . 1 . ]" 2
371 1 25 ALA HA 1 27 ASP H . . 3.480 3.509 3.500 3.531 0.051 1 0 "[ . 1 . ]" 2
372 1 25 ALA HA 1 96 VAL QG . . 5.640 2.004 1.833 2.134 . 0 0 "[ . 1 . ]" 2
373 1 25 ALA MB 1 27 ASP H . . 6.530 4.652 4.628 4.689 . 0 0 "[ . 1 . ]" 2
374 1 25 ALA MB 1 75 PRO HD3 . . 6.220 3.621 3.240 3.965 . 0 0 "[ . 1 . ]" 2
375 1 26 GLY H 1 27 ASP H . . 3.050 2.030 1.921 2.093 . 0 0 "[ . 1 . ]" 2
376 1 26 GLY H 1 71 THR MG . . 6.530 3.925 3.666 4.148 . 0 0 "[ . 1 . ]" 2
377 1 26 GLY H 1 73 GLY QA . . 3.990 2.492 2.005 3.008 . 0 0 "[ . 1 . ]" 2
378 1 26 GLY H 1 96 VAL MG1 . . 5.160 3.341 2.810 3.600 . 0 0 "[ . 1 . ]" 2
379 1 26 GLY H 1 96 VAL MG2 . . 5.160 4.049 3.985 4.118 . 0 0 "[ . 1 . ]" 2
380 1 26 GLY H 1 96 VAL QG . . 4.700 3.186 2.765 3.382 . 0 0 "[ . 1 . ]" 2
381 1 26 GLY HA2 1 27 ASP H . . 3.420 3.414 3.341 3.431 0.011 7 0 "[ . 1 . ]" 2
382 1 26 GLY HA3 1 27 ASP H . . 3.420 3.291 3.270 3.370 . 0 0 "[ . 1 . ]" 2
383 1 26 GLY QA 1 71 THR MG . . 7.400 3.047 2.824 3.217 . 0 0 "[ . 1 . ]" 2
384 1 26 GLY QA 1 73 GLY QA . . 6.170 3.314 2.907 3.639 . 0 0 "[ . 1 . ]" 2
385 1 27 ASP H 1 27 ASP HA . . 2.830 2.839 2.824 2.858 0.028 19 0 "[ . 1 . ]" 2
386 1 27 ASP H 1 27 ASP QB . . 3.680 2.203 2.122 2.258 . 0 0 "[ . 1 . ]" 2
387 1 27 ASP H 1 71 THR MG . . 6.530 4.109 3.939 4.351 . 0 0 "[ . 1 . ]" 2
388 1 27 ASP H 1 72 LEU H . . 4.970 4.282 4.055 4.672 . 0 0 "[ . 1 . ]" 2
389 1 27 ASP HA 1 28 THR H . . 2.620 2.646 2.618 2.689 0.069 12 0 "[ . 1 . ]" 2
390 1 27 ASP HB2 1 28 THR H . . 3.580 3.593 3.579 3.613 0.033 12 0 "[ . 1 . ]" 2
391 1 27 ASP HB3 1 28 THR H . . 3.580 2.181 2.122 2.232 . 0 0 "[ . 1 . ]" 2
392 1 27 ASP QB 1 28 THR H . . 3.180 2.163 2.108 2.211 . 0 0 "[ . 1 . ]" 2
393 1 28 THR H 1 28 THR HB . . 2.930 2.714 2.657 2.793 . 0 0 "[ . 1 . ]" 2
394 1 28 THR H 1 29 VAL H . . 4.450 4.484 4.465 4.500 0.050 9 0 "[ . 1 . ]" 2
395 1 28 THR HA 1 29 VAL H . . 2.460 2.356 2.304 2.396 . 0 0 "[ . 1 . ]" 2
396 1 28 THR HA 1 70 VAL H . . 4.450 4.473 4.455 4.502 0.052 15 0 "[ . 1 . ]" 2
397 1 28 THR HA 1 71 THR HB . . 4.790 4.827 4.781 4.918 0.128 3 0 "[ . 1 . ]" 2
398 1 28 THR HA 1 71 THR MG . . 4.480 3.404 2.948 3.624 . 0 0 "[ . 1 . ]" 2
399 1 28 THR HA 1 72 LEU H . . 3.450 3.027 2.581 3.289 . 0 0 "[ . 1 . ]" 2
400 1 28 THR HB 1 29 VAL H . . 3.730 3.742 3.628 3.771 0.041 10 0 "[ . 1 . ]" 2
401 1 28 THR MG 1 29 VAL H . . 4.050 2.075 1.929 2.446 . 0 0 "[ . 1 . ]" 2
402 1 28 THR MG 1 30 GLU HA . . 5.100 4.042 3.926 4.165 . 0 0 "[ . 1 . ]" 2
403 1 28 THR MG 1 69 SER HA . . 6.000 3.933 3.736 4.330 . 0 0 "[ . 1 . ]" 2
404 1 28 THR MG 1 69 SER HB2 . . 5.070 2.812 2.224 3.747 . 0 0 "[ . 1 . ]" 2
405 1 28 THR MG 1 69 SER HB3 . . 5.070 3.096 2.527 3.653 . 0 0 "[ . 1 . ]" 2
406 1 28 THR MG 1 69 SER QB . . 4.820 2.547 2.180 3.295 . 0 0 "[ . 1 . ]" 2
407 1 28 THR MG 1 70 VAL HA . . 4.050 3.371 3.339 3.412 . 0 0 "[ . 1 . ]" 2
408 1 29 VAL H 1 29 VAL HA . . 2.830 2.928 2.923 2.934 0.104 12 0 "[ . 1 . ]" 2
409 1 29 VAL H 1 29 VAL HB . . 3.050 2.663 2.606 2.735 . 0 0 "[ . 1 . ]" 2
410 1 29 VAL H 1 70 VAL H . . 3.140 2.752 2.641 2.871 . 0 0 "[ . 1 . ]" 2
411 1 29 VAL H 1 70 VAL QG . . 6.910 3.216 2.921 3.681 . 0 0 "[ . 1 . ]" 2
412 1 29 VAL H 1 71 THR HA . . 3.420 3.376 3.323 3.424 0.004 5 0 "[ . 1 . ]" 2
413 1 29 VAL H 1 71 THR MG . . 6.530 5.179 4.816 5.336 . 0 0 "[ . 1 . ]" 2
414 1 29 VAL HA 1 30 GLU H . . 2.520 2.202 2.184 2.271 . 0 0 "[ . 1 . ]" 2
415 1 29 VAL HB 1 70 VAL QG . . 6.230 3.075 2.590 3.569 . 0 0 "[ . 1 . ]" 2
416 1 29 VAL MG1 1 30 GLU H . . 5.190 3.127 2.903 3.412 . 0 0 "[ . 1 . ]" 2
417 1 29 VAL MG1 1 31 PHE QE . . 8.650 2.247 1.940 2.746 . 0 0 "[ . 1 . ]" 2
418 1 29 VAL MG1 1 31 PHE HZ . . 6.530 2.644 2.345 3.410 . 0 0 "[ . 1 . ]" 2
419 1 29 VAL MG1 1 94 ILE HB . . 5.630 4.343 4.117 4.548 . 0 0 "[ . 1 . ]" 2
420 1 29 VAL MG2 1 30 GLU H . . 6.060 4.195 4.094 4.270 . 0 0 "[ . 1 . ]" 2
421 1 29 VAL MG2 1 70 VAL QG . . 9.120 4.160 3.746 4.636 . 0 0 "[ . 1 . ]" 2
422 1 30 GLU H 1 30 GLU HB2 . . 3.140 2.408 2.154 2.916 . 0 0 "[ . 1 . ]" 2
423 1 30 GLU H 1 30 GLU HB3 . . 3.140 2.706 2.279 2.990 . 0 0 "[ . 1 . ]" 2
424 1 30 GLU H 1 30 GLU HG2 . . 5.380 4.462 4.288 4.665 . 0 0 "[ . 1 . ]" 2
425 1 30 GLU H 1 30 GLU HG3 . . 5.380 4.357 4.045 4.699 . 0 0 "[ . 1 . ]" 2
426 1 30 GLU H 1 30 GLU QG . . 4.850 3.919 3.759 4.049 . 0 0 "[ . 1 . ]" 2
427 1 30 GLU HA 1 31 PHE H . . 2.740 2.534 2.347 2.574 . 0 0 "[ . 1 . ]" 2
428 1 30 GLU HA 1 69 SER HA . . 2.740 1.982 1.966 1.994 . 0 0 "[ . 1 . ]" 2
429 1 30 GLU HA 1 69 SER QB . . 6.040 2.458 1.978 2.861 . 0 0 "[ . 1 . ]" 2
430 1 30 GLU HA 1 70 VAL H . . 3.330 3.375 3.346 3.413 0.083 17 0 "[ . 1 . ]" 2
431 1 30 GLU HB2 1 69 SER HA . . 5.500 4.139 3.565 4.356 . 0 0 "[ . 1 . ]" 2
432 1 30 GLU HB3 1 69 SER HA . . 5.500 4.829 4.722 4.954 . 0 0 "[ . 1 . ]" 2
433 1 30 GLU QB 1 69 SER HA . . 4.940 3.909 3.472 4.028 . 0 0 "[ . 1 . ]" 2
434 1 30 GLU HG2 1 31 PHE H . . 4.320 2.047 1.941 2.649 . 0 0 "[ . 1 . ]" 2
435 1 30 GLU HG2 1 69 SER HA . . 5.500 3.682 2.734 4.482 . 0 0 "[ . 1 . ]" 2
436 1 30 GLU HG3 1 31 PHE H . . 4.320 2.870 2.009 3.684 . 0 0 "[ . 1 . ]" 2
437 1 30 GLU HG3 1 69 SER HA . . 5.500 3.249 2.421 4.607 . 0 0 "[ . 1 . ]" 2
438 1 30 GLU QG 1 67 PHE QD . . 8.500 6.565 6.318 6.841 . 0 0 "[ . 1 . ]" 2
439 1 30 GLU QG 1 69 SER HA . . 4.800 2.799 2.404 3.466 . 0 0 "[ . 1 . ]" 2
440 1 31 PHE H 1 31 PHE HB2 . . 3.700 2.595 2.384 2.654 . 0 0 "[ . 1 . ]" 2
441 1 31 PHE H 1 31 PHE HB3 . . 3.700 3.706 3.586 3.745 0.045 1 0 "[ . 1 . ]" 2
442 1 31 PHE H 1 31 PHE QB . . 3.460 2.547 2.351 2.602 . 0 0 "[ . 1 . ]" 2
443 1 31 PHE H 1 68 TYR H . . 3.950 3.218 2.920 3.472 . 0 0 "[ . 1 . ]" 2
444 1 31 PHE H 1 69 SER HA . . 3.480 3.401 3.128 3.510 0.030 12 0 "[ . 1 . ]" 2
445 1 31 PHE HA 1 32 VAL H . . 2.710 2.200 2.192 2.217 . 0 0 "[ . 1 . ]" 2
446 1 31 PHE HB2 1 32 VAL H . . 4.450 4.430 4.347 4.485 0.035 10 0 "[ . 1 . ]" 2
447 1 31 PHE HB2 1 67 PHE QD . . 7.310 4.333 3.816 4.836 . 0 0 "[ . 1 . ]" 2
448 1 31 PHE HB2 1 68 TYR QD . . 7.640 3.942 3.412 4.836 . 0 0 "[ . 1 . ]" 2
449 1 31 PHE HB3 1 32 VAL H . . 4.450 3.538 3.370 3.720 . 0 0 "[ . 1 . ]" 2
450 1 31 PHE HB3 1 67 PHE QD . . 7.310 3.765 2.914 4.642 . 0 0 "[ . 1 . ]" 2
451 1 31 PHE HB3 1 68 TYR QD . . 7.640 5.320 4.910 6.175 . 0 0 "[ . 1 . ]" 2
452 1 31 PHE QB 1 67 PHE QD . . 6.970 3.520 2.833 4.216 . 0 0 "[ . 1 . ]" 2
453 1 31 PHE QB 1 68 TYR H . . 5.790 2.707 2.301 2.931 . 0 0 "[ . 1 . ]" 2
454 1 31 PHE QB 1 68 TYR QD . . 7.400 3.840 3.352 4.671 . 0 0 "[ . 1 . ]" 2
455 1 31 PHE QB 1 69 SER HA . . 5.260 4.232 3.803 4.349 . 0 0 "[ . 1 . ]" 2
456 1 31 PHE QD 1 41 VAL MG1 . . 8.650 3.775 3.215 4.309 . 0 0 "[ . 1 . ]" 2
457 1 31 PHE QD 1 41 VAL MG2 . . 8.650 2.867 2.320 3.388 . 0 0 "[ . 1 . ]" 2
458 1 31 PHE QD 1 41 VAL QG . . 8.410 2.770 2.277 3.271 . 0 0 "[ . 1 . ]" 2
459 1 31 PHE QD 1 70 VAL MG1 . . 8.650 4.644 4.005 5.304 . 0 0 "[ . 1 . ]" 2
460 1 31 PHE QD 1 70 VAL MG2 . . 8.650 3.163 2.746 3.505 . 0 0 "[ . 1 . ]" 2
461 1 31 PHE QD 1 70 VAL QG . . 7.960 3.108 2.716 3.430 . 0 0 "[ . 1 . ]" 2
462 1 31 PHE QE 1 41 VAL QG . . 10.210 2.990 2.526 3.527 . 0 0 "[ . 1 . ]" 2
463 1 31 PHE QE 1 43 PHE QD . . 9.740 5.705 5.049 5.966 . 0 0 "[ . 1 . ]" 2
464 1 31 PHE QE 1 70 VAL MG1 . . 8.650 4.826 4.047 5.528 . 0 0 "[ . 1 . ]" 2
465 1 31 PHE QE 1 70 VAL MG2 . . 8.650 2.682 2.150 3.212 . 0 0 "[ . 1 . ]" 2
466 1 31 PHE QE 1 94 ILE MD . . 7.130 3.068 2.914 3.247 . 0 0 "[ . 1 . ]" 2
467 1 31 PHE HZ 1 41 VAL QG . . 7.190 3.521 3.130 4.054 . 0 0 "[ . 1 . ]" 2
468 1 31 PHE HZ 1 43 PHE QD . . 7.620 5.410 4.854 5.769 . 0 0 "[ . 1 . ]" 2
469 1 31 PHE HZ 1 43 PHE HZ . . 4.940 3.606 3.086 4.370 . 0 0 "[ . 1 . ]" 2
470 1 31 PHE HZ 1 70 VAL QG . . 7.220 4.297 3.897 4.826 . 0 0 "[ . 1 . ]" 2
471 1 31 PHE HZ 1 80 PHE HZ . . 5.500 5.013 4.238 5.505 0.005 3 0 "[ . 1 . ]" 2
472 1 31 PHE HZ 1 94 ILE MG . . 5.910 4.733 4.479 4.818 . 0 0 "[ . 1 . ]" 2
473 1 31 PHE HZ 1 94 ILE MD . . 4.950 2.263 2.040 2.441 . 0 0 "[ . 1 . ]" 2
474 1 32 VAL H 1 32 VAL HB . . 3.110 2.934 2.405 3.114 0.004 5 0 "[ . 1 . ]" 2
475 1 32 VAL HA 1 33 MET H . . 2.710 2.329 2.237 2.401 . 0 0 "[ . 1 . ]" 2
476 1 32 VAL HA 1 66 SER HA . . 2.900 2.121 1.984 2.510 . 0 0 "[ . 1 . ]" 2
477 1 32 VAL HA 1 67 PHE H . . 3.520 2.395 1.986 2.949 . 0 0 "[ . 1 . ]" 2
478 1 32 VAL HA 1 67 PHE QB . . 6.380 3.306 2.968 3.905 . 0 0 "[ . 1 . ]" 2
479 1 32 VAL QG 1 33 MET H . . 5.860 2.050 1.907 2.429 . 0 0 "[ . 1 . ]" 2
480 1 32 VAL QG 1 35 LYS H . . 7.870 5.750 5.247 5.863 . 0 0 "[ . 1 . ]" 2
481 1 32 VAL QG 1 65 GLY H . . 7.340 3.618 3.127 4.200 . 0 0 "[ . 1 . ]" 2
482 1 33 MET H 1 33 MET QG . . 4.300 3.571 3.018 3.964 . 0 0 "[ . 1 . ]" 2
483 1 33 MET H 1 34 ASN H . . 4.660 4.382 3.918 4.483 . 0 0 "[ . 1 . ]" 2
484 1 33 MET H 1 65 GLY H . . 3.890 3.576 3.037 3.896 0.006 9 0 "[ . 1 . ]" 2
485 1 33 MET H 1 66 SER HA . . 3.210 3.068 2.448 3.221 0.011 11 0 "[ . 1 . ]" 2
486 1 33 MET H 1 67 PHE H . . 3.390 3.336 2.830 3.423 0.033 6 0 "[ . 1 . ]" 2
487 1 33 MET HA 1 33 MET QG . . 3.850 2.187 2.018 2.274 . 0 0 "[ . 1 . ]" 2
488 1 33 MET HA 1 34 ASN H . . 2.650 2.217 2.202 2.347 . 0 0 "[ . 1 . ]" 2
489 1 33 MET HA 1 35 LYS H . . 4.450 4.467 4.397 4.567 0.117 7 0 "[ . 1 . ]" 2
490 1 33 MET HA 1 39 HIS HD2 . . 5.500 4.200 3.489 4.520 . 0 0 "[ . 1 . ]" 2
491 1 33 MET QB 1 33 MET QG . . 2.480 2.113 2.065 2.137 . 0 0 "[ . 1 . ]" 2
492 1 33 MET QB 1 39 HIS HD2 . . 5.010 3.566 3.052 3.941 . 0 0 "[ . 1 . ]" 2
493 1 33 MET QB 1 64 PRO HA . . 5.850 3.088 2.547 3.358 . 0 0 "[ . 1 . ]" 2
494 1 33 MET QB 1 67 PHE QE . . 8.500 3.369 1.981 4.345 . 0 0 "[ . 1 . ]" 2
495 1 33 MET QB 1 67 PHE HZ . . 6.250 5.231 4.101 5.598 . 0 0 "[ . 1 . ]" 2
496 1 33 MET HG2 1 39 HIS HD2 . . 5.500 2.151 1.980 2.425 . 0 0 "[ . 1 . ]" 2
497 1 33 MET HG3 1 39 HIS HD2 . . 5.500 3.063 1.999 4.109 . 0 0 "[ . 1 . ]" 2
498 1 33 MET QG 1 34 ASN H . . 5.730 3.431 2.731 3.961 . 0 0 "[ . 1 . ]" 2
499 1 33 MET QG 1 39 HIS HD2 . . 5.350 2.021 1.891 2.408 . 0 0 "[ . 1 . ]" 2
500 1 33 MET QG 1 40 ASN H . . 6.380 4.825 4.289 5.311 . 0 0 "[ . 1 . ]" 2
501 1 33 MET QG 1 64 PRO HA . . 5.820 4.952 4.013 5.223 . 0 0 "[ . 1 . ]" 2
502 1 33 MET QG 1 67 PHE QD . . 7.350 3.126 2.013 4.139 . 0 0 "[ . 1 . ]" 2
503 1 33 MET QG 1 67 PHE QE . . 8.500 2.241 1.962 3.011 . 0 0 "[ . 1 . ]" 2
504 1 33 MET QG 1 90 MET ME . . 7.400 4.757 4.159 5.436 . 0 0 "[ . 1 . ]" 2
505 1 33 MET ME 1 34 ASN H . . 6.250 4.442 3.131 5.265 . 0 0 "[ . 1 . ]" 2
506 1 33 MET ME 1 37 GLY H . . 5.010 3.414 2.206 4.196 . 0 0 "[ . 1 . ]" 2
507 1 33 MET ME 1 39 HIS HD2 . . 6.030 2.346 1.786 3.483 . 0 0 "[ . 1 . ]" 2
508 1 33 MET ME 1 39 HIS HE2 . . 6.430 3.464 2.397 4.384 . 0 0 "[ . 1 . ]" 2
509 1 34 ASN H 1 34 ASN HB2 . . 3.550 2.088 2.039 2.196 . 0 0 "[ . 1 . ]" 2
510 1 34 ASN H 1 34 ASN HB3 . . 3.360 3.324 2.835 3.437 0.077 15 0 "[ . 1 . ]" 2
511 1 34 ASN H 1 35 LYS H . . 3.480 2.810 2.551 3.330 . 0 0 "[ . 1 . ]" 2
512 1 34 ASN H 1 39 HIS HD2 . . 5.500 4.915 4.140 5.519 0.019 18 0 "[ . 1 . ]" 2
513 1 34 ASN HA 1 64 PRO QB . . 6.380 5.549 4.552 5.741 . 0 0 "[ . 1 . ]" 2
514 1 34 ASN HB2 1 35 LYS H . . 3.140 2.543 2.330 3.184 0.044 5 0 "[ . 1 . ]" 2
515 1 34 ASN HB2 1 35 LYS QB . . 5.570 4.911 4.802 5.067 . 0 0 "[ . 1 . ]" 2
516 1 34 ASN HB3 1 34 ASN HD22 . . 3.700 3.460 3.445 3.552 . 0 0 "[ . 1 . ]" 2
517 1 34 ASN HB3 1 35 LYS H . . 2.930 2.422 1.931 2.619 . 0 0 "[ . 1 . ]" 2
518 1 34 ASN HD21 1 35 LYS H . . 5.100 4.477 3.389 4.723 . 0 0 "[ . 1 . ]" 2
519 1 34 ASN HD21 1 35 LYS QD . . 5.850 2.856 2.450 4.103 . 0 0 "[ . 1 . ]" 2
520 1 34 ASN HD21 1 35 LYS QE . . 6.380 4.478 3.935 5.628 . 0 0 "[ . 1 . ]" 2
521 1 34 ASN HD22 1 35 LYS QD . . 6.040 4.278 3.922 5.141 . 0 0 "[ . 1 . ]" 2
522 1 35 LYS H 1 35 LYS HD2 . . 5.500 3.791 3.036 5.228 . 0 0 "[ . 1 . ]" 2
523 1 35 LYS H 1 35 LYS HD3 . . 5.500 3.955 2.176 5.507 0.007 5 0 "[ . 1 . ]" 2
524 1 35 LYS H 1 35 LYS QD . . 5.180 3.382 2.149 4.771 . 0 0 "[ . 1 . ]" 2
525 1 35 LYS H 1 36 VAL QG . . 8.090 3.365 3.022 3.916 . 0 0 "[ . 1 . ]" 2
526 1 35 LYS H 1 39 HIS HE2 . . 5.500 3.425 3.274 3.659 . 0 0 "[ . 1 . ]" 2
527 1 35 LYS HA 1 35 LYS QD . . 4.610 3.929 3.513 4.243 . 0 0 "[ . 1 . ]" 2
528 1 35 LYS HA 1 36 VAL H . . 2.800 2.798 2.301 2.894 0.094 16 0 "[ . 1 . ]" 2
529 1 35 LYS QB 1 36 VAL H . . 4.830 2.078 1.862 3.607 . 0 0 "[ . 1 . ]" 2
530 1 35 LYS QB 1 36 VAL QG . . 8.960 3.256 2.575 3.837 . 0 0 "[ . 1 . ]" 2
531 1 35 LYS QG 1 36 VAL H . . 4.830 2.951 1.942 4.024 . 0 0 "[ . 1 . ]" 2
532 1 35 LYS QD 1 36 VAL H . . 6.380 4.349 3.154 4.945 . 0 0 "[ . 1 . ]" 2
533 1 36 VAL H 1 36 VAL HA . . 2.520 2.220 2.208 2.244 . 0 0 "[ . 1 . ]" 2
534 1 36 VAL H 1 36 VAL HB . . 3.640 3.295 2.899 3.898 0.258 16 0 "[ . 1 . ]" 2
535 1 36 VAL H 1 36 VAL MG1 . . 4.610 3.459 2.408 3.962 . 0 0 "[ . 1 . ]" 2
536 1 36 VAL H 1 36 VAL MG2 . . 4.610 3.250 2.204 3.916 . 0 0 "[ . 1 . ]" 2
537 1 36 VAL H 1 37 GLY H . . 3.730 2.859 2.546 3.057 . 0 0 "[ . 1 . ]" 2
538 1 36 VAL HA 1 37 GLY H . . 3.080 2.757 2.477 3.137 0.057 15 0 "[ . 1 . ]" 2
539 1 36 VAL HB 1 37 GLY H . . 4.760 4.503 3.947 4.687 . 0 0 "[ . 1 . ]" 2
540 1 36 VAL HB 1 39 HIS HE1 . . 5.500 4.303 2.433 5.522 0.022 7 0 "[ . 1 . ]" 2
541 1 36 VAL HB 1 39 HIS HE2 . . 5.500 4.070 2.450 4.945 . 0 0 "[ . 1 . ]" 2
542 1 36 VAL MG1 1 39 HIS HE1 . . 5.690 3.013 1.970 4.724 . 0 0 "[ . 1 . ]" 2
543 1 36 VAL MG1 1 39 HIS HE2 . . 6.530 3.236 1.910 4.549 . 0 0 "[ . 1 . ]" 2
544 1 36 VAL MG2 1 39 HIS HE1 . . 5.690 4.001 1.959 4.799 . 0 0 "[ . 1 . ]" 2
545 1 36 VAL MG2 1 39 HIS HE2 . . 6.530 4.006 2.256 4.376 . 0 0 "[ . 1 . ]" 2
546 1 36 VAL QG 1 37 GLY H . . 8.090 3.645 3.497 3.787 . 0 0 "[ . 1 . ]" 2
547 1 36 VAL QG 1 39 HIS HE1 . . 5.350 2.772 1.950 3.984 . 0 0 "[ . 1 . ]" 2
548 1 36 VAL QG 1 39 HIS HE2 . . 5.730 2.901 1.905 3.969 . 0 0 "[ . 1 . ]" 2
549 1 37 GLY H 1 38 PRO HA . . 4.200 4.096 3.983 4.200 . 0 0 "[ . 1 . ]" 2
550 1 37 GLY H 1 39 HIS HE2 . . 5.500 3.202 2.641 3.567 . 0 0 "[ . 1 . ]" 2
551 1 37 GLY HA2 1 39 HIS HE1 . . 5.500 3.639 2.885 4.139 . 0 0 "[ . 1 . ]" 2
552 1 37 GLY HA2 1 39 HIS HE2 . . 5.500 2.489 2.304 2.792 . 0 0 "[ . 1 . ]" 2
553 1 37 GLY HA2 1 85 HIS HE1 . . 4.790 2.461 1.997 3.187 . 0 0 "[ . 1 . ]" 2
554 1 37 GLY HA3 1 39 HIS HE1 . . 5.500 5.098 4.547 5.540 0.040 6 0 "[ . 1 . ]" 2
555 1 37 GLY HA3 1 39 HIS HE2 . . 5.500 3.192 2.583 3.674 . 0 0 "[ . 1 . ]" 2
556 1 37 GLY HA3 1 85 HIS HE1 . . 4.790 4.157 3.696 4.825 0.035 16 0 "[ . 1 . ]" 2
557 1 37 GLY QA 1 39 HIS HD2 . . 6.380 2.382 2.073 3.048 . 0 0 "[ . 1 . ]" 2
558 1 37 GLY QA 1 85 HIS HE1 . . 4.570 2.442 1.989 3.144 . 0 0 "[ . 1 . ]" 2
559 1 38 PRO HA 1 39 HIS H . . 2.960 2.573 2.371 2.729 . 0 0 "[ . 1 . ]" 2
560 1 38 PRO HA 1 39 HIS HD2 . . 5.500 3.240 2.542 4.570 . 0 0 "[ . 1 . ]" 2
561 1 38 PRO HA 1 62 ILE HA . . 3.730 3.525 2.659 3.757 0.027 12 0 "[ . 1 . ]" 2
562 1 38 PRO HA 1 85 HIS HE1 . . 5.500 4.654 4.171 5.489 . 0 0 "[ . 1 . ]" 2
563 1 38 PRO QB 1 60 LEU QB . . 7.070 2.432 1.977 2.779 . 0 0 "[ . 1 . ]" 2
564 1 38 PRO QB 1 62 ILE HA . . 6.380 2.039 1.968 2.255 . 0 0 "[ . 1 . ]" 2
565 1 38 PRO QG 1 39 HIS H . . 5.110 4.155 3.881 4.499 . 0 0 "[ . 1 . ]" 2
566 1 38 PRO QG 1 62 ILE HA . . 4.420 3.621 3.348 3.886 . 0 0 "[ . 1 . ]" 2
567 1 38 PRO QD 1 85 HIS HE1 . . 6.380 4.526 4.153 4.946 . 0 0 "[ . 1 . ]" 2
568 1 39 HIS H 1 39 HIS HB2 . . 4.170 2.807 2.673 2.906 . 0 0 "[ . 1 . ]" 2
569 1 39 HIS H 1 39 HIS HD2 . . 4.070 3.426 2.782 4.095 0.025 15 0 "[ . 1 . ]" 2
570 1 39 HIS H 1 60 LEU HA . . 4.510 4.074 3.615 4.363 . 0 0 "[ . 1 . ]" 2
571 1 39 HIS H 1 60 LEU QB . . 4.420 3.678 3.266 4.017 . 0 0 "[ . 1 . ]" 2
572 1 39 HIS H 1 61 ALA H . . 3.730 3.486 3.076 3.738 0.008 10 0 "[ . 1 . ]" 2
573 1 39 HIS H 1 62 ILE HA . . 4.630 4.430 3.720 4.672 0.042 11 0 "[ . 1 . ]" 2
574 1 39 HIS H 1 62 ILE MD . . 5.780 4.507 4.261 4.704 . 0 0 "[ . 1 . ]" 2
575 1 39 HIS HA 1 40 ASN H . . 3.020 2.852 2.625 3.072 0.052 9 0 "[ . 1 . ]" 2
576 1 39 HIS HA 1 60 LEU QD . . 7.540 4.798 2.960 5.600 . 0 0 "[ . 1 . ]" 2
577 1 39 HIS HA 1 85 HIS HE1 . . 5.500 3.805 2.997 4.614 . 0 0 "[ . 1 . ]" 2
578 1 39 HIS HB2 1 39 HIS HD2 . . 3.890 2.860 2.718 3.028 . 0 0 "[ . 1 . ]" 2
579 1 39 HIS HB2 1 40 ASN H . . 3.790 2.895 2.344 3.320 . 0 0 "[ . 1 . ]" 2
580 1 39 HIS HB2 1 90 MET ME . . 5.940 4.541 3.601 4.902 . 0 0 "[ . 1 . ]" 2
581 1 39 HIS HB3 1 40 ASN H . . 3.300 1.966 1.897 2.219 . 0 0 "[ . 1 . ]" 2
582 1 39 HIS HB3 1 90 MET ME . . 5.850 3.487 2.535 3.987 . 0 0 "[ . 1 . ]" 2
583 1 39 HIS HE1 1 85 HIS HE1 . . 3.920 2.881 2.042 3.285 . 0 0 "[ . 1 . ]" 2
584 1 39 HIS HE1 1 90 MET ME . . 6.370 3.148 2.229 4.590 . 0 0 "[ . 1 . ]" 2
585 1 39 HIS HE2 1 90 MET ME . . 6.530 4.605 3.749 5.364 . 0 0 "[ . 1 . ]" 2
586 1 40 ASN H 1 82 CYS QB . . 5.600 4.626 3.672 5.065 . 0 0 "[ . 1 . ]" 2
587 1 40 ASN H 1 83 THR H . . 5.160 4.889 4.453 5.222 0.062 19 0 "[ . 1 . ]" 2
588 1 40 ASN HA 1 41 VAL H . . 3.170 2.700 2.497 3.019 . 0 0 "[ . 1 . ]" 2
589 1 40 ASN HA 1 61 ALA H . . 3.760 3.750 3.335 3.823 0.063 15 0 "[ . 1 . ]" 2
590 1 40 ASN HA 1 67 PHE QE . . 7.000 2.722 2.001 3.463 . 0 0 "[ . 1 . ]" 2
591 1 40 ASN HA 1 67 PHE HZ . . 4.510 2.545 2.015 3.266 . 0 0 "[ . 1 . ]" 2
592 1 40 ASN HB2 1 41 VAL H . . 3.520 2.258 1.928 3.521 0.001 14 0 "[ . 1 . ]" 2
593 1 40 ASN HB2 1 67 PHE HZ . . 5.500 4.841 4.122 5.510 0.010 12 0 "[ . 1 . ]" 2
594 1 40 ASN HB3 1 41 VAL H . . 3.520 3.439 2.160 3.583 0.063 19 0 "[ . 1 . ]" 2
595 1 40 ASN HB3 1 67 PHE HZ . . 5.500 3.961 3.151 5.462 . 0 0 "[ . 1 . ]" 2
596 1 40 ASN QB 1 41 VAL H . . 3.200 2.163 1.917 2.527 . 0 0 "[ . 1 . ]" 2
597 1 40 ASN HD21 1 42 ILE QG . . 5.940 2.687 1.772 3.969 . 0 0 "[ . 1 . ]" 2
598 1 40 ASN HD21 1 42 ILE MD . . 5.660 2.948 1.914 3.758 . 0 0 "[ . 1 . ]" 2
599 1 40 ASN HD21 1 58 THR HA . . 5.500 3.271 2.599 3.938 . 0 0 "[ . 1 . ]" 2
600 1 40 ASN HD21 1 83 THR H . . 5.500 4.151 3.379 4.965 . 0 0 "[ . 1 . ]" 2
601 1 40 ASN HD21 1 83 THR HB . . 5.040 3.223 2.548 3.971 . 0 0 "[ . 1 . ]" 2
602 1 40 ASN HD22 1 42 ILE MG . . 6.530 4.642 3.684 5.401 . 0 0 "[ . 1 . ]" 2
603 1 40 ASN HD22 1 42 ILE MD . . 6.530 3.331 1.918 4.451 . 0 0 "[ . 1 . ]" 2
604 1 40 ASN HD22 1 58 THR HA . . 4.660 4.488 1.975 4.688 0.028 16 0 "[ . 1 . ]" 2
605 1 40 ASN HD22 1 83 THR H . . 5.500 2.898 1.903 5.506 0.006 14 0 "[ . 1 . ]" 2
606 1 40 ASN HD22 1 83 THR HB . . 5.500 2.193 1.927 4.176 . 0 0 "[ . 1 . ]" 2
607 1 41 VAL H 1 41 VAL HB . . 3.950 2.624 2.435 2.887 . 0 0 "[ . 1 . ]" 2
608 1 41 VAL H 1 58 THR HA . . 4.510 4.345 3.741 4.536 0.026 15 0 "[ . 1 . ]" 2
609 1 41 VAL HA 1 42 ILE H . . 2.740 2.298 2.183 2.656 . 0 0 "[ . 1 . ]" 2
610 1 41 VAL HA 1 80 PHE QD . . 7.620 4.866 4.258 5.496 . 0 0 "[ . 1 . ]" 2
611 1 41 VAL HB 1 57 ASN H . . 4.510 3.108 2.256 4.174 . 0 0 "[ . 1 . ]" 2
612 1 41 VAL HB 1 67 PHE QE . . 7.620 5.248 3.903 6.151 . 0 0 "[ . 1 . ]" 2
613 1 41 VAL HB 1 68 TYR QE . . 5.280 3.585 3.024 4.875 . 0 0 "[ . 1 . ]" 2
614 1 41 VAL MG1 1 42 ILE H . . 6.530 3.408 2.992 4.006 . 0 0 "[ . 1 . ]" 2
615 1 41 VAL MG1 1 67 PHE QE . . 8.650 5.923 5.139 6.506 . 0 0 "[ . 1 . ]" 2
616 1 41 VAL MG1 1 68 TYR QD . . 8.670 5.117 4.456 6.156 . 0 0 "[ . 1 . ]" 2
617 1 41 VAL MG1 1 68 TYR QE . . 7.450 3.258 2.420 4.735 . 0 0 "[ . 1 . ]" 2
618 1 41 VAL MG2 1 42 ILE H . . 6.530 4.273 4.130 4.401 . 0 0 "[ . 1 . ]" 2
619 1 41 VAL MG2 1 67 PHE QE . . 8.650 3.742 3.100 4.271 . 0 0 "[ . 1 . ]" 2
620 1 41 VAL MG2 1 68 TYR QD . . 8.670 4.384 3.947 5.284 . 0 0 "[ . 1 . ]" 2
621 1 41 VAL MG2 1 68 TYR QE . . 7.450 2.996 2.358 4.353 . 0 0 "[ . 1 . ]" 2
622 1 41 VAL QG 1 42 ILE H . . 5.860 3.271 2.927 3.708 . 0 0 "[ . 1 . ]" 2
623 1 41 VAL QG 1 43 PHE QD . . 8.880 3.098 2.371 3.650 . 0 0 "[ . 1 . ]" 2
624 1 41 VAL QG 1 43 PHE HZ . . 8.090 3.056 2.361 3.577 . 0 0 "[ . 1 . ]" 2
625 1 41 VAL QG 1 56 SER H . . 7.650 4.893 4.287 5.259 . 0 0 "[ . 1 . ]" 2
626 1 41 VAL QG 1 56 SER HA . . 8.090 3.040 2.176 3.657 . 0 0 "[ . 1 . ]" 2
627 1 41 VAL QG 1 57 ASN H . . 8.090 3.385 2.762 4.174 . 0 0 "[ . 1 . ]" 2
628 1 41 VAL QG 1 57 ASN QB . . 8.590 3.582 2.898 4.617 . 0 0 "[ . 1 . ]" 2
629 1 41 VAL QG 1 67 PHE QD . . 10.090 3.356 2.591 3.804 . 0 0 "[ . 1 . ]" 2
630 1 41 VAL QG 1 67 PHE QE . . 8.050 3.703 3.075 4.217 . 0 0 "[ . 1 . ]" 2
631 1 41 VAL QG 1 68 TYR QE . . 6.980 2.738 2.299 4.023 . 0 0 "[ . 1 . ]" 2
632 1 41 VAL QG 1 80 PHE QB . . 8.220 3.404 2.805 4.124 . 0 0 "[ . 1 . ]" 2
633 1 41 VAL QG 1 80 PHE QD . . 9.160 4.103 3.567 4.715 . 0 0 "[ . 1 . ]" 2
634 1 41 VAL QG 1 81 TYR H . . 8.030 4.777 4.347 5.226 . 0 0 "[ . 1 . ]" 2
635 1 42 ILE H 1 42 ILE HB . . 3.080 2.597 2.216 2.872 . 0 0 "[ . 1 . ]" 2
636 1 42 ILE H 1 42 ILE HG12 . . 4.790 3.135 2.095 4.453 . 0 0 "[ . 1 . ]" 2
637 1 42 ILE H 1 42 ILE HG13 . . 4.790 3.657 2.715 4.180 . 0 0 "[ . 1 . ]" 2
638 1 42 ILE H 1 42 ILE QG . . 4.640 2.730 2.081 3.224 . 0 0 "[ . 1 . ]" 2
639 1 42 ILE H 1 43 PHE H . . 4.940 3.808 3.303 4.493 . 0 0 "[ . 1 . ]" 2
640 1 42 ILE H 1 80 PHE QD . . 7.620 5.060 4.367 5.904 . 0 0 "[ . 1 . ]" 2
641 1 42 ILE H 1 82 CYS HA . . 4.570 3.923 3.338 4.175 . 0 0 "[ . 1 . ]" 2
642 1 42 ILE HA 1 43 PHE H . . 2.770 2.320 2.179 2.480 . 0 0 "[ . 1 . ]" 2
643 1 42 ILE HA 1 43 PHE QD . . 7.620 3.822 3.445 4.354 . 0 0 "[ . 1 . ]" 2
644 1 42 ILE HA 1 56 SER H . . 4.760 4.767 4.711 4.800 0.040 15 0 "[ . 1 . ]" 2
645 1 42 ILE HA 1 56 SER HA . . 3.760 2.854 2.655 3.417 . 0 0 "[ . 1 . ]" 2
646 1 42 ILE HA 1 56 SER QB . . 6.380 2.015 1.838 2.477 . 0 0 "[ . 1 . ]" 2
647 1 42 ILE HB 1 81 TYR H . . 4.170 4.056 3.485 4.212 0.042 10 0 "[ . 1 . ]" 2
648 1 42 ILE HB 1 81 TYR QD . . 7.640 3.338 2.686 4.077 . 0 0 "[ . 1 . ]" 2
649 1 42 ILE HB 1 81 TYR QE . . 7.630 2.799 2.019 3.720 . 0 0 "[ . 1 . ]" 2
650 1 42 ILE MG 1 43 PHE H . . 5.010 3.521 2.546 3.957 . 0 0 "[ . 1 . ]" 2
651 1 42 ILE MG 1 81 TYR H . . 6.530 4.430 3.972 4.886 . 0 0 "[ . 1 . ]" 2
652 1 42 ILE MG 1 81 TYR QD . . 8.670 3.683 3.404 3.990 . 0 0 "[ . 1 . ]" 2
653 1 42 ILE MG 1 81 TYR QE . . 8.660 2.138 1.874 2.558 . 0 0 "[ . 1 . ]" 2
654 1 42 ILE MG 1 82 CYS HA . . 6.530 5.373 5.005 5.518 . 0 0 "[ . 1 . ]" 2
655 1 42 ILE MG 1 83 THR H . . 6.530 4.774 4.188 5.350 . 0 0 "[ . 1 . ]" 2
656 1 42 ILE HG12 1 81 TYR QE . . 7.630 4.832 4.167 5.633 . 0 0 "[ . 1 . ]" 2
657 1 42 ILE HG13 1 81 TYR QE . . 7.630 4.194 3.075 5.550 . 0 0 "[ . 1 . ]" 2
658 1 42 ILE MD 1 43 PHE H . . 6.530 4.563 3.794 5.525 . 0 0 "[ . 1 . ]" 2
659 1 42 ILE MD 1 58 THR HA . . 4.420 2.271 1.766 3.158 . 0 0 "[ . 1 . ]" 2
660 1 42 ILE MD 1 58 THR HB . . 3.550 2.446 1.924 2.973 . 0 0 "[ . 1 . ]" 2
661 1 42 ILE MD 1 83 THR H . . 6.530 4.467 3.086 5.519 . 0 0 "[ . 1 . ]" 2
662 1 43 PHE H 1 43 PHE HB2 . . 3.730 2.341 2.192 2.498 . 0 0 "[ . 1 . ]" 2
663 1 43 PHE H 1 43 PHE HB3 . . 3.730 3.472 3.446 3.504 . 0 0 "[ . 1 . ]" 2
664 1 43 PHE H 1 43 PHE QB . . 3.320 2.306 2.169 2.447 . 0 0 "[ . 1 . ]" 2
665 1 43 PHE H 1 56 SER HA . . 3.020 2.778 2.480 3.086 0.066 6 0 "[ . 1 . ]" 2
666 1 43 PHE H 1 56 SER HB2 . . 4.290 3.777 3.405 4.309 0.019 16 0 "[ . 1 . ]" 2
667 1 43 PHE H 1 56 SER HB3 . . 4.290 2.451 1.944 3.972 . 0 0 "[ . 1 . ]" 2
668 1 43 PHE H 1 56 SER QB . . 4.140 2.399 1.933 3.666 . 0 0 "[ . 1 . ]" 2
669 1 43 PHE H 1 56 SER HG . . 3.830 3.199 1.942 3.828 . 0 0 "[ . 1 . ]" 2
670 1 43 PHE HA 1 44 ASP H . . 2.560 2.431 2.314 2.560 . 0 0 "[ . 1 . ]" 2
671 1 43 PHE HA 1 80 PHE H . . 4.600 4.475 4.416 4.618 0.018 14 0 "[ . 1 . ]" 2
672 1 43 PHE HA 1 80 PHE HA . . 2.740 2.001 1.969 2.148 . 0 0 "[ . 1 . ]" 2
673 1 43 PHE HA 1 80 PHE HB2 . . 3.300 2.672 2.272 3.008 . 0 0 "[ . 1 . ]" 2
674 1 43 PHE HA 1 80 PHE HB3 . . 3.300 1.982 1.968 1.994 . 0 0 "[ . 1 . ]" 2
675 1 43 PHE HA 1 80 PHE QB . . 3.070 1.926 1.866 1.963 . 0 0 "[ . 1 . ]" 2
676 1 43 PHE HA 1 81 TYR H . . 3.240 3.243 2.956 3.317 0.077 12 0 "[ . 1 . ]" 2
677 1 43 PHE HB2 1 52 ALA HA . . 5.310 3.691 3.435 4.326 . 0 0 "[ . 1 . ]" 2
678 1 43 PHE HB2 1 52 ALA MB . . 5.500 3.291 2.831 4.295 . 0 0 "[ . 1 . ]" 2
679 1 43 PHE HB3 1 52 ALA HA . . 5.310 3.772 3.396 4.592 . 0 0 "[ . 1 . ]" 2
680 1 43 PHE HB3 1 52 ALA MB . . 5.500 2.798 2.209 3.835 . 0 0 "[ . 1 . ]" 2
681 1 43 PHE QB 1 44 ASP H . . 4.490 2.599 2.306 2.875 . 0 0 "[ . 1 . ]" 2
682 1 43 PHE QB 1 45 LYS H . . 5.320 3.256 3.084 3.718 . 0 0 "[ . 1 . ]" 2
683 1 43 PHE QB 1 46 VAL QG . . 8.190 3.430 3.075 4.573 . 0 0 "[ . 1 . ]" 2
684 1 43 PHE QB 1 52 ALA HA . . 5.100 3.310 3.118 3.852 . 0 0 "[ . 1 . ]" 2
685 1 43 PHE QB 1 52 ALA MB . . 5.250 2.637 2.135 3.582 . 0 0 "[ . 1 . ]" 2
686 1 43 PHE QB 1 56 SER H . . 5.510 3.603 2.689 4.155 . 0 0 "[ . 1 . ]" 2
687 1 43 PHE QB 1 56 SER HG . . 6.380 2.854 1.979 3.788 . 0 0 "[ . 1 . ]" 2
688 1 43 PHE QD 1 44 ASP H . . 7.620 3.629 3.157 4.016 . 0 0 "[ . 1 . ]" 2
689 1 43 PHE QD 1 52 ALA HA . . 7.620 4.055 3.705 5.056 . 0 0 "[ . 1 . ]" 2
690 1 43 PHE QD 1 52 ALA MB . . 8.650 3.842 3.273 4.943 . 0 0 "[ . 1 . ]" 2
691 1 43 PHE QD 1 55 LEU HB2 . . 7.590 3.421 3.098 3.670 . 0 0 "[ . 1 . ]" 2
692 1 43 PHE QD 1 55 LEU HB3 . . 7.590 3.470 2.894 3.953 . 0 0 "[ . 1 . ]" 2
693 1 43 PHE QD 1 55 LEU QB . . 7.000 3.053 2.677 3.275 . 0 0 "[ . 1 . ]" 2
694 1 43 PHE QD 1 55 LEU MD1 . . 8.370 4.405 4.035 4.679 . 0 0 "[ . 1 . ]" 2
695 1 43 PHE QD 1 56 SER HA . . 6.160 2.250 1.998 2.506 . 0 0 "[ . 1 . ]" 2
696 1 43 PHE QD 1 56 SER QB . . 8.500 3.021 2.304 3.621 . 0 0 "[ . 1 . ]" 2
697 1 43 PHE QD 1 56 SER HG . . 7.620 3.335 1.998 4.336 . 0 0 "[ . 1 . ]" 2
698 1 43 PHE QD 1 68 TYR HH . . 7.620 5.690 5.245 6.225 . 0 0 "[ . 1 . ]" 2
699 1 43 PHE QD 1 70 VAL QG . . 10.210 5.422 4.939 5.697 . 0 0 "[ . 1 . ]" 2
700 1 43 PHE QD 1 78 TYR HB2 . . 6.910 4.731 4.467 4.984 . 0 0 "[ . 1 . ]" 2
701 1 43 PHE QD 1 80 PHE HB2 . . 7.620 4.109 3.728 4.511 . 0 0 "[ . 1 . ]" 2
702 1 43 PHE QD 1 80 PHE HB3 . . 7.620 2.535 2.120 3.105 . 0 0 "[ . 1 . ]" 2
703 1 43 PHE QD 1 80 PHE QB . . 7.460 2.511 2.109 3.053 . 0 0 "[ . 1 . ]" 2
704 1 43 PHE QD 1 80 PHE QD . . 9.740 3.091 2.540 3.892 . 0 0 "[ . 1 . ]" 2
705 1 43 PHE QD 1 81 TYR H . . 7.620 5.414 5.201 5.566 . 0 0 "[ . 1 . ]" 2
706 1 43 PHE HZ 1 55 LEU QB . . 5.660 3.591 3.058 4.016 . 0 0 "[ . 1 . ]" 2
707 1 43 PHE HZ 1 70 VAL MG1 . . 6.530 4.955 4.413 5.371 . 0 0 "[ . 1 . ]" 2
708 1 43 PHE HZ 1 70 VAL MG2 . . 6.530 3.270 2.979 3.511 . 0 0 "[ . 1 . ]" 2
709 1 43 PHE HZ 1 70 VAL QG . . 6.000 3.226 2.946 3.463 . 0 0 "[ . 1 . ]" 2
710 1 43 PHE HZ 1 72 LEU MD1 . . 6.530 4.423 3.836 5.112 . 0 0 "[ . 1 . ]" 2
711 1 43 PHE HZ 1 72 LEU MD2 . . 6.530 4.576 3.941 5.305 . 0 0 "[ . 1 . ]" 2
712 1 43 PHE HZ 1 80 PHE QD . . 7.620 5.650 5.102 6.026 . 0 0 "[ . 1 . ]" 2
713 1 43 PHE HZ 1 94 ILE MD . . 5.440 4.171 3.327 4.502 . 0 0 "[ . 1 . ]" 2
714 1 44 ASP H 1 44 ASP HB2 . . 2.870 2.327 2.153 2.477 . 0 0 "[ . 1 . ]" 2
715 1 44 ASP H 1 44 ASP HB3 . . 2.870 2.807 2.752 2.866 . 0 0 "[ . 1 . ]" 2
716 1 44 ASP H 1 44 ASP QB . . 2.660 2.218 2.093 2.318 . 0 0 "[ . 1 . ]" 2
717 1 44 ASP H 1 45 LYS H . . 3.050 2.340 2.165 2.612 . 0 0 "[ . 1 . ]" 2
718 1 44 ASP H 1 46 VAL QG . . 8.090 4.510 4.047 5.552 . 0 0 "[ . 1 . ]" 2
719 1 44 ASP H 1 79 SER H . . 3.920 3.941 3.891 3.963 0.043 13 0 "[ . 1 . ]" 2
720 1 44 ASP H 1 80 PHE HA . . 3.020 2.131 1.943 2.571 . 0 0 "[ . 1 . ]" 2
721 1 44 ASP HA 1 52 ALA MB . . 6.530 5.089 4.855 5.327 . 0 0 "[ . 1 . ]" 2
722 1 44 ASP HA 1 81 TYR QE . . 7.630 2.004 1.990 2.119 . 0 0 "[ . 1 . ]" 2
723 1 44 ASP HB2 1 45 LYS H . . 3.390 3.334 3.155 3.398 0.008 15 0 "[ . 1 . ]" 2
724 1 44 ASP HB2 1 81 TYR QD . . 7.020 2.776 2.556 3.225 . 0 0 "[ . 1 . ]" 2
725 1 44 ASP HB2 1 81 TYR QE . . 6.670 3.596 2.655 4.073 . 0 0 "[ . 1 . ]" 2
726 1 44 ASP HB3 1 45 LYS H . . 3.390 2.328 1.983 2.444 . 0 0 "[ . 1 . ]" 2
727 1 44 ASP HB3 1 81 TYR QD . . 7.020 4.292 4.038 4.721 . 0 0 "[ . 1 . ]" 2
728 1 44 ASP HB3 1 81 TYR QE . . 6.670 4.423 3.908 4.775 . 0 0 "[ . 1 . ]" 2
729 1 44 ASP QB 1 81 TYR QE . . 6.540 3.441 2.614 3.858 . 0 0 "[ . 1 . ]" 2
730 1 45 LYS H 1 46 VAL H . . 4.320 4.148 4.072 4.277 . 0 0 "[ . 1 . ]" 2
731 1 45 LYS H 1 79 SER H . . 3.730 3.235 3.087 3.307 . 0 0 "[ . 1 . ]" 2
732 1 45 LYS H 1 79 SER QB . . 6.380 3.608 3.018 4.202 . 0 0 "[ . 1 . ]" 2
733 1 45 LYS HA 1 46 VAL H . . 2.400 2.312 2.268 2.384 . 0 0 "[ . 1 . ]" 2
734 1 45 LYS HA 1 46 VAL QG . . 6.480 3.261 2.897 4.264 . 0 0 "[ . 1 . ]" 2
735 1 45 LYS QB 1 46 VAL H . . 4.760 3.111 2.914 3.228 . 0 0 "[ . 1 . ]" 2
736 1 45 LYS QB 1 79 SER H . . 5.820 5.241 5.073 5.289 . 0 0 "[ . 1 . ]" 2
737 1 45 LYS HG2 1 46 VAL H . . 5.310 3.005 2.839 3.127 . 0 0 "[ . 1 . ]" 2
738 1 45 LYS HG3 1 46 VAL H . . 5.310 4.455 4.185 4.621 . 0 0 "[ . 1 . ]" 2
739 1 45 LYS QG 1 53 PRO HA . . 5.420 4.894 4.867 4.922 . 0 0 "[ . 1 . ]" 2
740 1 46 VAL H 1 52 ALA MB . . 6.530 1.949 1.755 2.077 . 0 0 "[ . 1 . ]" 2
741 1 46 VAL HA 1 47 PRO QD . . 3.410 1.983 1.866 2.155 . 0 0 "[ . 1 . ]" 2
742 1 46 VAL HA 1 78 TYR HA . . 4.600 3.292 3.109 3.452 . 0 0 "[ . 1 . ]" 2
743 1 46 VAL HA 1 79 SER H . . 3.950 3.968 3.899 3.995 0.045 7 0 "[ . 1 . ]" 2
744 1 46 VAL MG1 1 47 PRO HD2 . . 7.290 3.253 1.775 3.931 . 0 0 "[ . 1 . ]" 2
745 1 46 VAL MG1 1 47 PRO HD3 . . 7.290 3.628 2.887 4.449 . 0 0 "[ . 1 . ]" 2
746 1 46 VAL MG2 1 47 PRO HD2 . . 7.290 3.027 1.776 3.492 . 0 0 "[ . 1 . ]" 2
747 1 46 VAL MG2 1 47 PRO HD3 . . 7.290 3.762 1.986 4.226 . 0 0 "[ . 1 . ]" 2
748 1 46 VAL QG 1 47 PRO QD . . 6.050 2.536 1.608 2.898 . 0 0 "[ . 1 . ]" 2
749 1 46 VAL QG 1 50 GLU H . . 7.440 3.009 2.463 4.066 . 0 0 "[ . 1 . ]" 2
750 1 46 VAL QG 1 52 ALA H . . 8.090 2.347 1.718 4.121 . 0 0 "[ . 1 . ]" 2
751 1 46 VAL QG 1 52 ALA HA . . 6.630 2.753 2.472 3.784 . 0 0 "[ . 1 . ]" 2
752 1 46 VAL QG 1 52 ALA MB . . 8.090 1.750 1.567 2.587 . 0 0 "[ . 1 . ]" 2
753 1 46 VAL QG 1 78 TYR HA . . 7.750 2.184 1.883 2.846 . 0 0 "[ . 1 . ]" 2
754 1 46 VAL QG 1 78 TYR HB3 . . 6.660 2.655 2.211 3.383 . 0 0 "[ . 1 . ]" 2
755 1 46 VAL QG 1 78 TYR QD . . 8.270 1.992 1.801 2.359 . 0 0 "[ . 1 . ]" 2
756 1 46 VAL QG 1 78 TYR QE . . 9.290 2.546 2.147 3.057 . 0 0 "[ . 1 . ]" 2
757 1 46 VAL QG 1 79 SER H . . 8.090 2.970 2.610 3.761 . 0 0 "[ . 1 . ]" 2
758 1 47 PRO HA 1 48 ALA H . . 2.590 2.417 2.348 2.596 0.006 18 0 "[ . 1 . ]" 2
759 1 47 PRO HB2 1 48 ALA H . . 3.700 2.762 2.339 2.939 . 0 0 "[ . 1 . ]" 2
760 1 47 PRO HB3 1 48 ALA H . . 3.480 3.427 3.231 3.518 0.038 10 0 "[ . 1 . ]" 2
761 1 47 PRO HB3 1 77 THR H . . 5.500 5.212 4.674 5.513 0.013 2 0 "[ . 1 . ]" 2
762 1 47 PRO QG 1 77 THR H . . 5.200 2.798 2.348 3.220 . 0 0 "[ . 1 . ]" 2
763 1 47 PRO QD 1 78 TYR HA . . 5.820 3.457 3.292 3.644 . 0 0 "[ . 1 . ]" 2
764 1 47 PRO QD 1 78 TYR HH . . 6.380 5.267 5.040 5.421 . 0 0 "[ . 1 . ]" 2
765 1 48 ALA H 1 49 GLY H . . 4.600 4.462 2.346 4.615 0.015 5 0 "[ . 1 . ]" 2
766 1 48 ALA HA 1 49 GLY H . . 2.680 2.397 2.186 2.817 0.137 12 0 "[ . 1 . ]" 2
767 1 49 GLY H 1 50 GLU H . . 3.240 3.146 2.822 3.256 0.016 13 0 "[ . 1 . ]" 2
768 1 50 GLU H 1 50 GLU HB2 . . 3.140 2.241 2.077 2.497 . 0 0 "[ . 1 . ]" 2
769 1 50 GLU H 1 50 GLU HB3 . . 3.140 3.103 2.991 3.188 0.048 12 0 "[ . 1 . ]" 2
770 1 50 GLU H 1 50 GLU HG2 . . 5.410 4.217 3.824 4.830 . 0 0 "[ . 1 . ]" 2
771 1 50 GLU H 1 50 GLU HG3 . . 5.410 4.371 4.002 4.695 . 0 0 "[ . 1 . ]" 2
772 1 50 GLU H 1 50 GLU QG . . 4.680 3.813 3.526 4.202 . 0 0 "[ . 1 . ]" 2
773 1 50 GLU H 1 74 THR MG . . 6.370 2.824 1.921 4.821 . 0 0 "[ . 1 . ]" 2
774 1 50 GLU HA 1 50 GLU QB . . 2.730 2.558 2.546 2.566 . 0 0 "[ . 1 . ]" 2
775 1 50 GLU HA 1 51 SER H . . 2.770 2.781 2.737 2.801 0.031 3 0 "[ . 1 . ]" 2
776 1 50 GLU QB 1 51 SER H . . 4.050 2.296 2.149 2.395 . 0 0 "[ . 1 . ]" 2
777 1 50 GLU QB 1 55 LEU MD1 . . 6.130 4.008 3.491 4.319 . 0 0 "[ . 1 . ]" 2
778 1 50 GLU HG2 1 74 THR HB . . 4.070 3.265 2.262 4.075 0.005 17 0 "[ . 1 . ]" 2
779 1 50 GLU HG2 1 78 TYR HH . . 5.500 3.439 2.106 4.626 . 0 0 "[ . 1 . ]" 2
780 1 50 GLU HG3 1 74 THR HB . . 4.070 3.076 2.153 4.080 0.010 16 0 "[ . 1 . ]" 2
781 1 50 GLU HG3 1 78 TYR HH . . 5.500 2.771 1.998 4.806 . 0 0 "[ . 1 . ]" 2
782 1 50 GLU QG 1 74 THR HB . . 3.450 2.622 2.110 3.044 . 0 0 "[ . 1 . ]" 2
783 1 50 GLU QG 1 78 TYR HH . . 5.370 2.342 1.943 3.125 . 0 0 "[ . 1 . ]" 2
784 1 51 SER H 1 51 SER HB2 . . 4.040 2.810 2.416 3.822 . 0 0 "[ . 1 . ]" 2
785 1 51 SER H 1 51 SER HB3 . . 4.040 3.455 2.816 3.826 . 0 0 "[ . 1 . ]" 2
786 1 51 SER H 1 51 SER QB . . 3.490 2.608 2.363 3.016 . 0 0 "[ . 1 . ]" 2
787 1 51 SER H 1 52 ALA H . . 3.520 3.530 3.518 3.554 0.034 3 0 "[ . 1 . ]" 2
788 1 51 SER H 1 54 ALA MB . . 5.780 4.458 4.148 4.714 . 0 0 "[ . 1 . ]" 2
789 1 51 SER H 1 55 LEU HG . . 4.480 4.453 4.210 4.492 0.012 18 0 "[ . 1 . ]" 2
790 1 51 SER H 1 55 LEU MD1 . . 5.320 3.507 2.887 4.022 . 0 0 "[ . 1 . ]" 2
791 1 51 SER HA 1 52 ALA H . . 2.400 2.424 2.389 2.474 0.074 12 0 "[ . 1 . ]" 2
792 1 51 SER QB 1 54 ALA MB . . 5.050 1.917 1.731 2.131 . 0 0 "[ . 1 . ]" 2
793 1 52 ALA H 1 53 PRO HD2 . . 3.480 2.195 1.935 2.368 . 0 0 "[ . 1 . ]" 2
794 1 52 ALA H 1 53 PRO HD3 . . 3.480 2.499 2.256 2.626 . 0 0 "[ . 1 . ]" 2
795 1 52 ALA H 1 53 PRO QD . . 3.250 2.060 1.830 2.200 . 0 0 "[ . 1 . ]" 2
796 1 52 ALA HA 1 55 LEU H . . 3.610 3.553 3.313 3.627 0.017 13 0 "[ . 1 . ]" 2
797 1 52 ALA HA 1 55 LEU QB . . 4.730 3.151 2.704 3.339 . 0 0 "[ . 1 . ]" 2
798 1 52 ALA HA 1 55 LEU MD1 . . 5.130 3.552 2.843 4.107 . 0 0 "[ . 1 . ]" 2
799 1 52 ALA MB 1 53 PRO QG . . 6.070 3.514 3.454 3.566 . 0 0 "[ . 1 . ]" 2
800 1 52 ALA MB 1 53 PRO QD . . 4.490 1.889 1.859 1.921 . 0 0 "[ . 1 . ]" 2
801 1 52 ALA MB 1 56 SER HG . . 6.530 4.634 4.227 5.197 . 0 0 "[ . 1 . ]" 2
802 1 53 PRO HA 1 56 SER H . . 3.980 3.918 3.533 4.043 0.063 13 0 "[ . 1 . ]" 2
803 1 53 PRO HA 1 56 SER HG . . 5.500 2.822 2.059 4.438 . 0 0 "[ . 1 . ]" 2
804 1 53 PRO HD2 1 54 ALA H . . 4.600 3.735 2.715 4.103 . 0 0 "[ . 1 . ]" 2
805 1 53 PRO HD3 1 54 ALA H . . 4.600 4.449 3.830 4.674 0.074 2 0 "[ . 1 . ]" 2
806 1 53 PRO QD 1 54 ALA H . . 4.270 3.537 2.661 3.853 . 0 0 "[ . 1 . ]" 2
807 1 54 ALA H 1 55 LEU H . . 2.770 1.938 1.883 2.222 . 0 0 "[ . 1 . ]" 2
808 1 54 ALA MB 1 56 SER H . . 6.530 4.321 4.132 4.621 . 0 0 "[ . 1 . ]" 2
809 1 55 LEU H 1 55 LEU HB2 . . 3.420 2.139 2.108 2.236 . 0 0 "[ . 1 . ]" 2
810 1 55 LEU H 1 55 LEU HB3 . . 3.420 3.439 3.420 3.490 0.070 18 0 "[ . 1 . ]" 2
811 1 55 LEU H 1 55 LEU QB . . 2.950 2.119 2.090 2.211 . 0 0 "[ . 1 . ]" 2
812 1 55 LEU H 1 55 LEU HG . . 3.520 2.899 2.590 3.071 . 0 0 "[ . 1 . ]" 2
813 1 55 LEU H 1 55 LEU MD1 . . 5.540 3.624 3.379 3.835 . 0 0 "[ . 1 . ]" 2
814 1 55 LEU H 1 55 LEU MD2 . . 5.500 3.922 3.695 4.062 . 0 0 "[ . 1 . ]" 2
815 1 55 LEU H 1 56 SER H . . 2.770 2.549 2.350 2.736 . 0 0 "[ . 1 . ]" 2
816 1 55 LEU HA 1 55 LEU MD2 . . 3.460 2.099 1.949 2.416 . 0 0 "[ . 1 . ]" 2
817 1 55 LEU HA 1 56 SER H . . 3.580 3.539 3.457 3.592 0.012 8 0 "[ . 1 . ]" 2
818 1 55 LEU HA 1 70 VAL QG . . 6.660 4.746 4.615 4.868 . 0 0 "[ . 1 . ]" 2
819 1 55 LEU QB 1 56 SER H . . 5.140 2.977 2.793 3.208 . 0 0 "[ . 1 . ]" 2
820 1 55 LEU QB 1 70 VAL QG . . 7.070 3.752 3.507 4.132 . 0 0 "[ . 1 . ]" 2
821 1 55 LEU QB 1 72 LEU QD . . 7.140 4.239 3.711 4.562 . 0 0 "[ . 1 . ]" 2
822 1 55 LEU MD1 1 56 SER H . . 6.530 4.905 4.735 5.151 . 0 0 "[ . 1 . ]" 2
823 1 55 LEU MD1 1 70 VAL QG . . 8.960 3.297 2.865 3.827 . 0 0 "[ . 1 . ]" 2
824 1 55 LEU MD1 1 72 LEU QD . . 7.450 2.384 1.830 2.804 . 0 0 "[ . 1 . ]" 2
825 1 55 LEU MD2 1 70 VAL QG . . 6.640 2.473 2.189 3.206 . 0 0 "[ . 1 . ]" 2
826 1 55 LEU MD2 1 71 THR H . . 6.530 5.205 4.688 5.375 . 0 0 "[ . 1 . ]" 2
827 1 56 SER H 1 56 SER HB2 . . 3.480 3.153 2.227 3.510 0.030 6 0 "[ . 1 . ]" 2
828 1 56 SER H 1 56 SER HB3 . . 3.480 3.160 2.814 3.535 0.055 9 0 "[ . 1 . ]" 2
829 1 56 SER H 1 56 SER QB . . 3.220 2.701 2.203 2.810 . 0 0 "[ . 1 . ]" 2
830 1 56 SER H 1 56 SER HG . . 3.920 2.608 1.948 3.274 . 0 0 "[ . 1 . ]" 2
831 1 56 SER H 1 57 ASN H . . 4.760 4.546 4.264 4.674 . 0 0 "[ . 1 . ]" 2
832 1 56 SER HA 1 57 ASN H . . 2.800 2.297 2.217 2.545 . 0 0 "[ . 1 . ]" 2
833 1 56 SER HA 1 68 TYR HH . . 4.600 4.602 4.500 4.638 0.038 16 0 "[ . 1 . ]" 2
834 1 56 SER QB 1 57 ASN H . . 4.240 3.162 2.399 3.734 . 0 0 "[ . 1 . ]" 2
835 1 57 ASN HA 1 58 THR H . . 2.560 2.274 2.252 2.375 . 0 0 "[ . 1 . ]" 2
836 1 57 ASN HA 1 59 LYS H . . 3.980 3.696 3.191 3.968 . 0 0 "[ . 1 . ]" 2
837 1 57 ASN QB 1 59 LYS QB . . 7.250 3.230 2.724 3.970 . 0 0 "[ . 1 . ]" 2
838 1 57 ASN QB 1 68 TYR QD . . 8.520 4.974 4.422 5.571 . 0 0 "[ . 1 . ]" 2
839 1 57 ASN QB 1 68 TYR QE . . 8.510 3.162 2.636 3.739 . 0 0 "[ . 1 . ]" 2
840 1 58 THR H 1 58 THR HB . . 3.270 2.665 2.350 3.478 0.208 11 0 "[ . 1 . ]" 2
841 1 58 THR H 1 58 THR MG . . 4.700 2.052 1.881 2.332 . 0 0 "[ . 1 . ]" 2
842 1 58 THR H 1 59 LYS H . . 3.270 2.977 2.597 3.277 0.007 13 0 "[ . 1 . ]" 2
843 1 58 THR H 1 59 LYS QB . . 5.320 4.157 3.883 4.422 . 0 0 "[ . 1 . ]" 2
844 1 58 THR MG 1 59 LYS H . . 6.530 3.598 2.602 3.915 . 0 0 "[ . 1 . ]" 2
845 1 59 LYS H 1 59 LYS HG2 . . 5.500 4.241 1.947 4.584 . 0 0 "[ . 1 . ]" 2
846 1 59 LYS H 1 59 LYS HG3 . . 5.500 4.426 2.863 4.892 . 0 0 "[ . 1 . ]" 2
847 1 59 LYS H 1 59 LYS QG . . 5.140 3.832 1.916 4.043 . 0 0 "[ . 1 . ]" 2
848 1 59 LYS H 1 59 LYS QD . . 5.290 4.399 3.797 4.599 . 0 0 "[ . 1 . ]" 2
849 1 59 LYS H 1 60 LEU QD . . 8.100 4.904 4.187 5.711 . 0 0 "[ . 1 . ]" 2
850 1 59 LYS H 1 67 PHE QE . . 7.620 4.931 4.038 5.752 . 0 0 "[ . 1 . ]" 2
851 1 59 LYS HA 1 59 LYS QG . . 3.780 2.413 2.114 3.325 . 0 0 "[ . 1 . ]" 2
852 1 59 LYS HA 1 60 LEU H . . 2.710 2.456 2.244 2.648 . 0 0 "[ . 1 . ]" 2
853 1 59 LYS QB 1 67 PHE QE . . 8.500 4.432 3.826 4.920 . 0 0 "[ . 1 . ]" 2
854 1 59 LYS HG2 1 60 LEU H . . 5.070 4.149 3.438 4.856 . 0 0 "[ . 1 . ]" 2
855 1 59 LYS HG3 1 60 LEU H . . 5.070 4.797 4.421 5.068 . 0 0 "[ . 1 . ]" 2
856 1 59 LYS QG 1 60 LEU H . . 4.730 3.883 3.381 4.161 . 0 0 "[ . 1 . ]" 2
857 1 59 LYS QD 1 67 PHE QE . . 8.500 5.047 3.737 5.976 . 0 0 "[ . 1 . ]" 2
858 1 60 LEU H 1 60 LEU HB2 . . 3.450 3.338 2.548 3.500 0.050 11 0 "[ . 1 . ]" 2
859 1 60 LEU H 1 60 LEU HB3 . . 3.450 2.811 2.198 3.534 0.084 10 0 "[ . 1 . ]" 2
860 1 60 LEU H 1 60 LEU QB . . 3.050 2.570 2.175 2.745 . 0 0 "[ . 1 . ]" 2
861 1 60 LEU H 1 60 LEU HG . . 2.800 2.173 1.945 2.806 0.006 3 0 "[ . 1 . ]" 2
862 1 60 LEU HA 1 61 ALA H . . 2.710 2.200 2.176 2.274 . 0 0 "[ . 1 . ]" 2
863 1 60 LEU QB 1 61 ALA H . . 4.760 3.395 2.919 3.720 . 0 0 "[ . 1 . ]" 2
864 1 60 LEU HG 1 61 ALA H . . 5.500 4.892 4.654 5.010 . 0 0 "[ . 1 . ]" 2
865 1 60 LEU QD 1 61 ALA H . . 6.610 4.186 2.981 4.655 . 0 0 "[ . 1 . ]" 2
866 1 61 ALA H 1 67 PHE QE . . 7.620 2.575 1.942 3.046 . 0 0 "[ . 1 . ]" 2
867 1 61 ALA HA 1 62 ILE H . . 2.650 2.203 2.186 2.251 . 0 0 "[ . 1 . ]" 2
868 1 61 ALA HA 1 63 ALA H . . 3.950 3.921 3.738 3.966 0.016 16 0 "[ . 1 . ]" 2
869 1 61 ALA HA 1 67 PHE QD . . 7.620 5.703 5.112 6.359 . 0 0 "[ . 1 . ]" 2
870 1 61 ALA HA 1 67 PHE QE . . 7.620 4.349 3.719 4.644 . 0 0 "[ . 1 . ]" 2
871 1 61 ALA MB 1 67 PHE QD . . 8.650 3.087 2.569 3.483 . 0 0 "[ . 1 . ]" 2
872 1 61 ALA MB 1 67 PHE QE . . 8.650 2.273 1.934 2.612 . 0 0 "[ . 1 . ]" 2
873 1 61 ALA MB 1 67 PHE HZ . . 6.530 2.784 2.277 3.111 . 0 0 "[ . 1 . ]" 2
874 1 62 ILE H 1 62 ILE HG12 . . 5.220 3.203 1.941 4.643 . 0 0 "[ . 1 . ]" 2
875 1 62 ILE H 1 62 ILE HG13 . . 5.220 3.864 3.351 4.623 . 0 0 "[ . 1 . ]" 2
876 1 62 ILE H 1 62 ILE QG . . 5.010 2.931 1.930 4.022 . 0 0 "[ . 1 . ]" 2
877 1 62 ILE H 1 63 ALA H . . 2.590 2.532 2.358 2.612 0.022 15 0 "[ . 1 . ]" 2
878 1 62 ILE H 1 63 ALA MB . . 6.220 4.101 3.902 4.306 . 0 0 "[ . 1 . ]" 2
879 1 62 ILE HB 1 63 ALA H . . 3.920 3.049 2.443 3.936 0.016 15 0 "[ . 1 . ]" 2
880 1 63 ALA HA 1 64 PRO QG . . 5.670 3.859 3.816 3.929 . 0 0 "[ . 1 . ]" 2
881 1 64 PRO HA 1 65 GLY H . . 2.800 2.222 2.164 2.528 . 0 0 "[ . 1 . ]" 2
882 1 64 PRO HB2 1 65 GLY H . . 3.920 3.398 2.488 3.618 . 0 0 "[ . 1 . ]" 2
883 1 64 PRO HB3 1 65 GLY H . . 3.920 3.807 3.293 3.946 0.026 9 0 "[ . 1 . ]" 2
884 1 64 PRO QB 1 65 GLY H . . 3.730 3.169 2.419 3.347 . 0 0 "[ . 1 . ]" 2
885 1 65 GLY H 1 65 GLY HA2 . . 2.930 2.740 2.564 2.799 . 0 0 "[ . 1 . ]" 2
886 1 65 GLY H 1 65 GLY HA3 . . 2.930 2.857 2.812 2.947 0.017 8 0 "[ . 1 . ]" 2
887 1 66 SER HA 1 67 PHE H . . 2.960 2.257 2.229 2.310 . 0 0 "[ . 1 . ]" 2
888 1 67 PHE H 1 67 PHE HB2 . . 3.760 2.093 1.957 2.276 . 0 0 "[ . 1 . ]" 2
889 1 67 PHE H 1 67 PHE HB3 . . 3.760 3.401 3.295 3.483 . 0 0 "[ . 1 . ]" 2
890 1 67 PHE H 1 67 PHE QB . . 3.550 2.074 1.943 2.248 . 0 0 "[ . 1 . ]" 2
891 1 67 PHE H 1 68 TYR H . . 3.550 3.454 3.346 3.558 0.008 12 0 "[ . 1 . ]" 2
892 1 67 PHE HB2 1 68 TYR H . . 3.700 2.357 2.044 2.558 . 0 0 "[ . 1 . ]" 2
893 1 67 PHE HB3 1 68 TYR H . . 3.700 2.064 1.947 2.523 . 0 0 "[ . 1 . ]" 2
894 1 67 PHE QB 1 68 TYR H . . 3.440 1.923 1.857 2.057 . 0 0 "[ . 1 . ]" 2
895 1 67 PHE QB 1 68 TYR QD . . 8.520 3.003 2.434 3.278 . 0 0 "[ . 1 . ]" 2
896 1 67 PHE QD 1 68 TYR H . . 7.620 4.040 3.955 4.170 . 0 0 "[ . 1 . ]" 2
897 1 67 PHE QD 1 68 TYR QD . . 9.730 3.079 2.300 3.886 . 0 0 "[ . 1 . ]" 2
898 1 67 PHE QD 1 68 TYR QE . . 9.750 2.442 1.996 3.942 . 0 0 "[ . 1 . ]" 2
899 1 67 PHE QE 1 68 TYR QD . . 9.760 5.069 4.491 5.917 . 0 0 "[ . 1 . ]" 2
900 1 67 PHE QE 1 68 TYR QE . . 9.750 3.685 3.255 5.371 . 0 0 "[ . 1 . ]" 2
901 1 68 TYR HA 1 69 SER H . . 2.560 2.590 2.562 2.666 0.106 6 0 "[ . 1 . ]" 2
902 1 68 TYR HB2 1 69 SER H . . 3.580 2.282 2.204 2.333 . 0 0 "[ . 1 . ]" 2
903 1 68 TYR HB3 1 69 SER H . . 3.580 3.613 3.581 3.696 0.116 6 0 "[ . 1 . ]" 2
904 1 68 TYR QB 1 69 SER H . . 3.250 2.258 2.188 2.305 . 0 0 "[ . 1 . ]" 2
905 1 68 TYR QD 1 69 SER H . . 6.740 3.355 2.611 3.578 . 0 0 "[ . 1 . ]" 2
906 1 68 TYR QD 1 70 VAL MG1 . . 8.670 2.625 2.162 3.104 . 0 0 "[ . 1 . ]" 2
907 1 68 TYR QD 1 70 VAL MG2 . . 8.670 3.283 2.916 3.666 . 0 0 "[ . 1 . ]" 2
908 1 68 TYR QE 1 70 VAL HB . . 7.630 5.609 3.910 6.073 . 0 0 "[ . 1 . ]" 2
909 1 68 TYR QE 1 70 VAL MG1 . . 8.660 3.204 1.796 3.753 . 0 0 "[ . 1 . ]" 2
910 1 68 TYR QE 1 70 VAL MG2 . . 8.660 3.286 1.971 3.686 . 0 0 "[ . 1 . ]" 2
911 1 68 TYR QE 1 70 VAL QG . . 8.150 2.853 1.665 3.134 . 0 0 "[ . 1 . ]" 2
912 1 68 TYR HH 1 70 VAL QG . . 8.090 4.276 3.254 4.489 . 0 0 "[ . 1 . ]" 2
913 1 69 SER H 1 69 SER HB2 . . 3.760 3.287 2.864 3.531 . 0 0 "[ . 1 . ]" 2
914 1 69 SER H 1 69 SER HB3 . . 3.760 3.377 2.489 3.776 0.016 2 0 "[ . 1 . ]" 2
915 1 69 SER H 1 69 SER QB . . 3.470 2.901 2.416 3.130 . 0 0 "[ . 1 . ]" 2
916 1 69 SER H 1 70 VAL H . . 4.600 4.487 4.413 4.533 . 0 0 "[ . 1 . ]" 2
917 1 69 SER HA 1 70 VAL H . . 2.710 2.495 2.379 2.705 . 0 0 "[ . 1 . ]" 2
918 1 69 SER HB2 1 70 VAL H . . 3.450 3.075 2.528 3.508 0.058 9 0 "[ . 1 . ]" 2
919 1 69 SER HB3 1 70 VAL H . . 3.450 3.258 2.675 3.484 0.034 17 0 "[ . 1 . ]" 2
920 1 70 VAL H 1 71 THR H . . 4.290 4.243 4.136 4.314 0.024 11 0 "[ . 1 . ]" 2
921 1 70 VAL HA 1 71 THR H . . 2.430 2.251 2.235 2.289 . 0 0 "[ . 1 . ]" 2
922 1 70 VAL HB 1 71 THR H . . 3.140 3.124 3.017 3.173 0.033 9 0 "[ . 1 . ]" 2
923 1 70 VAL HB 1 72 LEU MD1 . . 6.500 4.675 3.644 5.355 . 0 0 "[ . 1 . ]" 2
924 1 70 VAL HB 1 72 LEU MD2 . . 6.500 3.879 2.666 5.134 . 0 0 "[ . 1 . ]" 2
925 1 70 VAL HB 1 72 LEU QD . . 5.580 3.594 2.603 4.146 . 0 0 "[ . 1 . ]" 2
926 1 70 VAL MG1 1 72 LEU MD1 . . 9.330 5.462 4.586 6.078 . 0 0 "[ . 1 . ]" 2
927 1 70 VAL MG1 1 72 LEU MD2 . . 9.330 4.805 3.931 5.753 . 0 0 "[ . 1 . ]" 2
928 1 70 VAL MG2 1 72 LEU MD1 . . 9.330 3.715 2.610 4.494 . 0 0 "[ . 1 . ]" 2
929 1 70 VAL MG2 1 72 LEU MD2 . . 9.330 3.546 1.881 4.493 . 0 0 "[ . 1 . ]" 2
930 1 70 VAL QG 1 71 THR H . . 6.760 3.422 3.278 3.517 . 0 0 "[ . 1 . ]" 2
931 1 70 VAL QG 1 71 THR HA . . 8.090 4.290 4.124 4.429 . 0 0 "[ . 1 . ]" 2
932 1 70 VAL QG 1 72 LEU QD . . 7.350 2.982 1.866 3.640 . 0 0 "[ . 1 . ]" 2
933 1 71 THR H 1 71 THR HA . . 2.800 2.930 2.914 2.945 0.145 11 0 "[ . 1 . ]" 2
934 1 71 THR H 1 71 THR HB . . 2.650 2.316 2.213 2.567 . 0 0 "[ . 1 . ]" 2
935 1 71 THR H 1 72 LEU H . . 4.760 4.546 4.427 4.607 . 0 0 "[ . 1 . ]" 2
936 1 71 THR HA 1 72 LEU H . . 2.650 2.244 2.149 2.344 . 0 0 "[ . 1 . ]" 2
937 1 71 THR HB 1 72 LEU H . . 4.510 4.208 3.723 4.520 0.010 2 0 "[ . 1 . ]" 2
938 1 71 THR MG 1 72 LEU H . . 4.980 2.345 1.930 2.970 . 0 0 "[ . 1 . ]" 2
939 1 71 THR MG 1 73 GLY H . . 6.530 4.990 4.853 5.291 . 0 0 "[ . 1 . ]" 2
940 1 72 LEU H 1 72 LEU HB2 . . 3.050 2.499 2.332 2.611 . 0 0 "[ . 1 . ]" 2
941 1 72 LEU H 1 72 LEU HB3 . . 3.700 3.666 3.565 3.718 0.018 18 0 "[ . 1 . ]" 2
942 1 72 LEU H 1 72 LEU HG . . 3.920 3.450 3.058 3.931 0.011 5 0 "[ . 1 . ]" 2
943 1 72 LEU HA 1 73 GLY H . . 2.560 2.559 2.461 2.581 0.021 5 0 "[ . 1 . ]" 2
944 1 72 LEU HB2 1 73 GLY H . . 4.070 3.596 3.499 3.846 . 0 0 "[ . 1 . ]" 2
945 1 72 LEU HB2 1 78 TYR HH . . 5.500 4.914 4.286 5.509 0.009 12 0 "[ . 1 . ]" 2
946 1 72 LEU HB3 1 73 GLY H . . 3.640 2.293 2.253 2.514 . 0 0 "[ . 1 . ]" 2
947 1 72 LEU HB3 1 73 GLY QA . . 4.450 4.001 3.958 4.034 . 0 0 "[ . 1 . ]" 2
948 1 72 LEU HB3 1 78 TYR HH . . 5.500 3.258 2.717 3.946 . 0 0 "[ . 1 . ]" 2
949 1 72 LEU MD1 1 78 TYR QD . . 8.670 3.216 2.072 4.516 . 0 0 "[ . 1 . ]" 2
950 1 72 LEU MD1 1 78 TYR HH . . 6.530 3.517 2.048 5.042 . 0 0 "[ . 1 . ]" 2
951 1 72 LEU MD2 1 78 TYR QD . . 8.670 3.938 2.784 5.456 . 0 0 "[ . 1 . ]" 2
952 1 72 LEU MD2 1 78 TYR HH . . 6.530 3.419 2.080 5.365 . 0 0 "[ . 1 . ]" 2
953 1 72 LEU QD 1 73 GLY H . . 7.760 3.091 2.851 3.304 . 0 0 "[ . 1 . ]" 2
954 1 72 LEU QD 1 78 TYR HB2 . . 8.100 4.073 3.424 5.008 . 0 0 "[ . 1 . ]" 2
955 1 72 LEU QD 1 78 TYR HB3 . . 8.100 4.163 3.694 4.813 . 0 0 "[ . 1 . ]" 2
956 1 73 GLY H 1 73 GLY HA2 . . 2.870 2.916 2.896 2.928 0.058 3 0 "[ . 1 . ]" 2
957 1 73 GLY H 1 73 GLY HA3 . . 2.870 2.648 2.622 2.688 . 0 0 "[ . 1 . ]" 2
958 1 73 GLY H 1 73 GLY QA . . 2.630 2.458 2.446 2.476 . 0 0 "[ . 1 . ]" 2
959 1 73 GLY H 1 74 THR H . . 3.170 2.126 1.896 2.417 . 0 0 "[ . 1 . ]" 2
960 1 73 GLY H 1 78 TYR HH . . 5.500 3.419 2.938 4.209 . 0 0 "[ . 1 . ]" 2
961 1 73 GLY H 1 96 VAL QG . . 8.090 3.345 3.037 3.979 . 0 0 "[ . 1 . ]" 2
962 1 73 GLY QA 1 96 VAL QG . . 8.160 3.033 2.693 3.820 . 0 0 "[ . 1 . ]" 2
963 1 74 THR H 1 74 THR HB . . 3.140 2.403 2.119 2.931 . 0 0 "[ . 1 . ]" 2
964 1 74 THR H 1 78 TYR HH . . 3.610 3.331 2.951 3.620 0.010 12 0 "[ . 1 . ]" 2
965 1 74 THR H 1 96 VAL MG1 . . 6.340 3.834 2.587 4.183 . 0 0 "[ . 1 . ]" 2
966 1 74 THR H 1 96 VAL MG2 . . 6.340 4.750 3.450 5.163 . 0 0 "[ . 1 . ]" 2
967 1 74 THR H 1 96 VAL QG . . 5.960 3.677 2.547 4.006 . 0 0 "[ . 1 . ]" 2
968 1 74 THR HA 1 75 PRO QG . . 5.460 3.796 3.787 3.819 . 0 0 "[ . 1 . ]" 2
969 1 74 THR HA 1 78 TYR HH . . 5.500 4.746 4.462 5.101 . 0 0 "[ . 1 . ]" 2
970 1 74 THR HB 1 78 TYR HH . . 3.270 2.257 1.994 2.738 . 0 0 "[ . 1 . ]" 2
971 1 74 THR MG 1 75 PRO HD2 . . 4.730 2.243 1.902 2.699 . 0 0 "[ . 1 . ]" 2
972 1 74 THR MG 1 75 PRO HD3 . . 5.600 3.321 2.921 3.723 . 0 0 "[ . 1 . ]" 2
973 1 74 THR MG 1 78 TYR HH . . 5.070 3.387 2.754 4.218 . 0 0 "[ . 1 . ]" 2
974 1 74 THR HG1 1 78 TYR HH . . 4.170 4.164 4.044 4.180 0.010 1 0 "[ . 1 . ]" 2
975 1 75 PRO HA 1 76 GLY H . . 2.620 2.234 2.208 2.299 . 0 0 "[ . 1 . ]" 2
976 1 75 PRO HA 1 96 VAL H . . 3.950 3.949 3.785 3.984 0.034 15 0 "[ . 1 . ]" 2
977 1 75 PRO HA 1 96 VAL QG . . 4.990 2.056 1.970 2.564 . 0 0 "[ . 1 . ]" 2
978 1 75 PRO HB2 1 76 GLY H . . 3.360 3.292 3.074 3.385 0.025 14 0 "[ . 1 . ]" 2
979 1 75 PRO HB2 1 96 VAL QG . . 6.630 4.297 4.163 4.528 . 0 0 "[ . 1 . ]" 2
980 1 76 GLY H 1 77 THR H . . 4.690 4.401 4.387 4.415 . 0 0 "[ . 1 . ]" 2
981 1 76 GLY H 1 95 THR HA . . 4.540 4.407 4.240 4.549 0.009 8 0 "[ . 1 . ]" 2
982 1 76 GLY H 1 95 THR MG . . 6.340 3.848 3.524 5.268 . 0 0 "[ . 1 . ]" 2
983 1 76 GLY H 1 96 VAL H . . 3.140 2.655 2.490 2.750 . 0 0 "[ . 1 . ]" 2
984 1 76 GLY H 1 96 VAL HB . . 3.050 3.022 2.858 3.064 0.014 14 0 "[ . 1 . ]" 2
985 1 76 GLY H 1 96 VAL MG1 . . 5.500 3.550 3.433 3.850 . 0 0 "[ . 1 . ]" 2
986 1 76 GLY H 1 96 VAL MG2 . . 5.500 4.532 4.362 4.588 . 0 0 "[ . 1 . ]" 2
987 1 76 GLY H 1 96 VAL QG . . 4.950 3.426 3.341 3.635 . 0 0 "[ . 1 . ]" 2
988 1 76 GLY H 1 97 GLU HA . . 4.140 4.100 3.957 4.155 0.015 9 0 "[ . 1 . ]" 2
989 1 76 GLY HA2 1 77 THR H . . 2.620 2.630 2.616 2.652 0.032 14 0 "[ . 1 . ]" 2
990 1 76 GLY HA3 1 77 THR H . . 2.620 2.610 2.589 2.624 0.004 16 0 "[ . 1 . ]" 2
991 1 76 GLY QA 1 77 THR H . . 2.350 2.334 2.332 2.334 . 0 0 "[ . 1 . ]" 2
992 1 77 THR H 1 77 THR HB . . 2.620 2.510 2.253 2.638 0.018 15 0 "[ . 1 . ]" 2
993 1 77 THR H 1 78 TYR H . . 4.940 4.394 4.276 4.461 . 0 0 "[ . 1 . ]" 2
994 1 77 THR HA 1 78 TYR H . . 2.620 2.154 2.149 2.164 . 0 0 "[ . 1 . ]" 2
995 1 77 THR HA 1 94 ILE H . . 4.350 4.175 3.963 4.359 0.009 13 0 "[ . 1 . ]" 2
996 1 77 THR HA 1 95 THR HA . . 2.800 2.225 1.990 2.372 . 0 0 "[ . 1 . ]" 2
997 1 77 THR HA 1 96 VAL H . . 3.700 3.688 3.597 3.722 0.022 11 0 "[ . 1 . ]" 2
998 1 77 THR HB 1 78 TYR H . . 4.510 4.483 4.222 4.557 0.047 16 0 "[ . 1 . ]" 2
999 1 77 THR MG 1 78 TYR H . . 4.760 3.347 2.732 3.886 . 0 0 "[ . 1 . ]" 2
1000 1 77 THR MG 1 79 SER H . . 6.530 4.627 4.342 5.230 . 0 0 "[ . 1 . ]" 2
1001 1 78 TYR H 1 78 TYR HB2 . . 3.330 2.218 2.137 2.294 . 0 0 "[ . 1 . ]" 2
1002 1 78 TYR H 1 78 TYR HB3 . . 3.830 3.479 3.425 3.535 . 0 0 "[ . 1 . ]" 2
1003 1 78 TYR H 1 93 THR HA . . 4.820 4.834 4.715 4.871 0.051 14 0 "[ . 1 . ]" 2
1004 1 78 TYR H 1 94 ILE H . . 3.420 2.781 2.709 2.877 . 0 0 "[ . 1 . ]" 2
1005 1 78 TYR H 1 94 ILE HB . . 5.500 3.563 2.884 3.849 . 0 0 "[ . 1 . ]" 2
1006 1 78 TYR H 1 94 ILE MG . . 6.470 3.824 3.562 4.263 . 0 0 "[ . 1 . ]" 2
1007 1 78 TYR H 1 95 THR HA . . 3.670 3.166 2.847 3.365 . 0 0 "[ . 1 . ]" 2
1008 1 78 TYR H 1 96 VAL H . . 4.790 4.795 4.688 4.828 0.038 16 0 "[ . 1 . ]" 2
1009 1 78 TYR HA 1 79 SER H . . 2.680 2.231 2.198 2.290 . 0 0 "[ . 1 . ]" 2
1010 1 78 TYR HB2 1 79 SER H . . 4.290 4.253 4.045 4.308 0.018 12 0 "[ . 1 . ]" 2
1011 1 78 TYR HB2 1 94 ILE H . . 4.690 3.016 2.735 3.570 . 0 0 "[ . 1 . ]" 2
1012 1 78 TYR HB2 1 94 ILE HB . . 4.140 2.127 1.992 2.362 . 0 0 "[ . 1 . ]" 2
1013 1 78 TYR HB3 1 79 SER H . . 3.860 3.275 3.029 3.453 . 0 0 "[ . 1 . ]" 2
1014 1 78 TYR HB3 1 94 ILE H . . 5.380 4.194 3.894 4.676 . 0 0 "[ . 1 . ]" 2
1015 1 78 TYR HB3 1 94 ILE HB . . 5.070 3.367 3.065 3.604 . 0 0 "[ . 1 . ]" 2
1016 1 78 TYR QD 1 79 SER H . . 7.640 4.427 3.845 4.581 . 0 0 "[ . 1 . ]" 2
1017 1 78 TYR QD 1 94 ILE HB . . 7.640 3.893 2.828 4.319 . 0 0 "[ . 1 . ]" 2
1018 1 78 TYR QD 1 94 ILE MD . . 7.150 4.631 3.753 5.057 . 0 0 "[ . 1 . ]" 2
1019 1 78 TYR QD 1 96 VAL QG . . 10.230 3.517 3.027 3.954 . 0 0 "[ . 1 . ]" 2
1020 1 78 TYR HH 1 96 VAL HB . . 5.500 4.598 3.840 5.288 . 0 0 "[ . 1 . ]" 2
1021 1 78 TYR HH 1 96 VAL MG1 . . 6.530 4.359 3.734 4.840 . 0 0 "[ . 1 . ]" 2
1022 1 78 TYR HH 1 96 VAL MG2 . . 6.530 3.874 3.271 4.430 . 0 0 "[ . 1 . ]" 2
1023 1 78 TYR HH 1 96 VAL QG . . 5.950 3.618 3.086 4.096 . 0 0 "[ . 1 . ]" 2
1024 1 79 SER H 1 79 SER HB2 . . 3.730 3.198 2.689 3.636 . 0 0 "[ . 1 . ]" 2
1025 1 79 SER H 1 79 SER HB3 . . 3.730 3.405 2.409 3.784 0.054 3 0 "[ . 1 . ]" 2
1026 1 79 SER H 1 79 SER QB . . 3.570 2.845 2.331 3.145 . 0 0 "[ . 1 . ]" 2
1027 1 79 SER H 1 80 PHE H . . 4.660 4.482 4.422 4.528 . 0 0 "[ . 1 . ]" 2
1028 1 79 SER HA 1 80 PHE H . . 2.800 2.354 2.274 2.524 . 0 0 "[ . 1 . ]" 2
1029 1 79 SER HA 1 80 PHE QD . . 7.620 2.772 2.459 3.085 . 0 0 "[ . 1 . ]" 2
1030 1 79 SER HA 1 93 THR HA . . 2.900 2.470 1.995 2.737 . 0 0 "[ . 1 . ]" 2
1031 1 79 SER HA 1 93 THR HB . . 5.500 5.017 4.606 5.271 . 0 0 "[ . 1 . ]" 2
1032 1 79 SER HA 1 93 THR MG . . 4.510 2.544 2.149 2.808 . 0 0 "[ . 1 . ]" 2
1033 1 79 SER HA 1 94 ILE H . . 3.790 3.780 3.476 3.851 0.061 14 0 "[ . 1 . ]" 2
1034 1 79 SER HB2 1 80 PHE H . . 3.790 3.430 2.859 3.801 0.011 16 0 "[ . 1 . ]" 2
1035 1 79 SER HB3 1 80 PHE H . . 3.790 3.464 2.834 3.798 0.008 17 0 "[ . 1 . ]" 2
1036 1 79 SER QB 1 80 PHE H . . 3.580 2.969 2.760 3.359 . 0 0 "[ . 1 . ]" 2
1037 1 79 SER QB 1 93 THR HA . . 5.910 4.083 3.407 4.600 . 0 0 "[ . 1 . ]" 2
1038 1 80 PHE H 1 80 PHE HB2 . . 4.110 3.746 3.589 3.868 . 0 0 "[ . 1 . ]" 2
1039 1 80 PHE H 1 80 PHE HB3 . . 4.110 3.482 3.312 3.655 . 0 0 "[ . 1 . ]" 2
1040 1 80 PHE H 1 80 PHE QB . . 3.760 3.203 3.101 3.342 . 0 0 "[ . 1 . ]" 2
1041 1 80 PHE H 1 93 THR HA . . 3.670 3.680 3.600 3.728 0.058 12 0 "[ . 1 . ]" 2
1042 1 80 PHE H 1 93 THR MG . . 6.530 4.252 3.955 4.597 . 0 0 "[ . 1 . ]" 2
1043 1 80 PHE HA 1 81 TYR H . . 2.900 2.649 2.530 2.769 . 0 0 "[ . 1 . ]" 2
1044 1 80 PHE HA 1 81 TYR QD . . 7.640 3.370 2.828 3.609 . 0 0 "[ . 1 . ]" 2
1045 1 80 PHE HB2 1 81 TYR H . . 3.450 2.168 1.955 2.441 . 0 0 "[ . 1 . ]" 2
1046 1 80 PHE HB3 1 81 TYR H . . 3.450 3.483 3.457 3.510 0.060 14 0 "[ . 1 . ]" 2
1047 1 80 PHE QB 1 81 TYR H . . 3.230 2.145 1.945 2.395 . 0 0 "[ . 1 . ]" 2
1048 1 80 PHE QD 1 81 TYR H . . 7.620 3.500 2.922 4.109 . 0 0 "[ . 1 . ]" 2
1049 1 80 PHE QD 1 92 GLY H . . 7.620 3.477 2.990 4.265 . 0 0 "[ . 1 . ]" 2
1050 1 80 PHE QD 1 93 THR HA . . 7.620 3.304 2.933 3.572 . 0 0 "[ . 1 . ]" 2
1051 1 80 PHE QD 1 94 ILE H . . 7.620 4.240 3.991 4.756 . 0 0 "[ . 1 . ]" 2
1052 1 80 PHE QD 1 94 ILE MD . . 8.650 3.556 2.604 4.063 . 0 0 "[ . 1 . ]" 2
1053 1 80 PHE HZ 1 92 GLY HA2 . . 5.220 3.911 3.504 4.153 . 0 0 "[ . 1 . ]" 2
1054 1 80 PHE HZ 1 92 GLY HA3 . . 5.220 2.644 2.149 3.203 . 0 0 "[ . 1 . ]" 2
1055 1 80 PHE HZ 1 92 GLY QA . . 4.830 2.597 2.134 3.102 . 0 0 "[ . 1 . ]" 2
1056 1 80 PHE HZ 1 93 THR H . . 5.500 2.714 2.104 3.162 . 0 0 "[ . 1 . ]" 2
1057 1 80 PHE HZ 1 94 ILE QG . . 6.380 2.530 1.978 3.342 . 0 0 "[ . 1 . ]" 2
1058 1 80 PHE HZ 1 94 ILE MD . . 6.530 3.184 2.574 3.812 . 0 0 "[ . 1 . ]" 2
1059 1 81 TYR H 1 91 VAL HA . . 5.250 4.861 4.441 5.270 0.020 18 0 "[ . 1 . ]" 2
1060 1 81 TYR HA 1 82 CYS H . . 3.240 2.523 2.347 2.726 . 0 0 "[ . 1 . ]" 2
1061 1 81 TYR HA 1 91 VAL HA . . 2.830 2.300 1.965 2.682 . 0 0 "[ . 1 . ]" 2
1062 1 81 TYR HA 1 91 VAL HB . . 5.500 4.177 3.705 5.289 . 0 0 "[ . 1 . ]" 2
1063 1 81 TYR HA 1 91 VAL QG . . 8.090 2.746 1.967 3.661 . 0 0 "[ . 1 . ]" 2
1064 1 81 TYR HA 1 92 GLY H . . 4.010 3.575 3.282 4.026 0.016 7 0 "[ . 1 . ]" 2
1065 1 81 TYR QB 1 82 CYS H . . 4.020 2.418 1.994 2.831 . 0 0 "[ . 1 . ]" 2
1066 1 81 TYR QB 1 91 VAL HA . . 6.380 3.353 2.750 3.741 . 0 0 "[ . 1 . ]" 2
1067 1 81 TYR QD 1 82 CYS H . . 7.640 3.213 3.025 3.434 . 0 0 "[ . 1 . ]" 2
1068 1 81 TYR QD 1 82 CYS HA . . 7.640 3.506 3.200 3.730 . 0 0 "[ . 1 . ]" 2
1069 1 81 TYR QD 1 83 THR H . . 7.640 3.552 2.524 4.204 . 0 0 "[ . 1 . ]" 2
1070 1 81 TYR QD 1 83 THR HA . . 7.390 3.280 2.867 3.682 . 0 0 "[ . 1 . ]" 2
1071 1 81 TYR QD 1 83 THR MG . . 8.670 5.275 4.219 5.534 . 0 0 "[ . 1 . ]" 2
1072 1 81 TYR QD 1 86 ARG HA . . 7.640 4.594 3.779 5.938 . 0 0 "[ . 1 . ]" 2
1073 1 81 TYR QD 1 86 ARG QB . . 8.520 4.106 3.279 6.226 . 0 0 "[ . 1 . ]" 2
1074 1 81 TYR QD 1 86 ARG QG . . 8.520 5.016 2.592 6.332 . 0 0 "[ . 1 . ]" 2
1075 1 81 TYR QD 1 86 ARG HD2 . . 7.640 4.697 2.171 6.262 . 0 0 "[ . 1 . ]" 2
1076 1 81 TYR QD 1 86 ARG HD3 . . 7.640 5.155 3.725 6.222 . 0 0 "[ . 1 . ]" 2
1077 1 81 TYR QD 1 86 ARG QD . . 7.300 4.221 2.160 5.482 . 0 0 "[ . 1 . ]" 2
1078 1 81 TYR QD 1 91 VAL HA . . 7.640 5.239 4.714 5.585 . 0 0 "[ . 1 . ]" 2
1079 1 81 TYR QD 1 91 VAL QG . . 10.230 3.778 3.311 4.526 . 0 0 "[ . 1 . ]" 2
1080 1 81 TYR QE 1 83 THR HA . . 7.420 3.387 2.300 4.498 . 0 0 "[ . 1 . ]" 2
1081 1 81 TYR QE 1 83 THR MG . . 8.660 4.781 2.665 5.509 . 0 0 "[ . 1 . ]" 2
1082 1 81 TYR QE 1 86 ARG QD . . 8.510 4.401 2.079 5.809 . 0 0 "[ . 1 . ]" 2
1083 1 82 CYS H 1 82 CYS HB2 . . 3.730 2.588 2.181 3.360 . 0 0 "[ . 1 . ]" 2
1084 1 82 CYS H 1 82 CYS HB3 . . 3.730 2.813 2.529 3.005 . 0 0 "[ . 1 . ]" 2
1085 1 82 CYS H 1 82 CYS QB . . 3.220 2.288 2.131 2.541 . 0 0 "[ . 1 . ]" 2
1086 1 82 CYS H 1 86 ARG HA . . 3.670 3.673 3.397 3.792 0.122 18 0 "[ . 1 . ]" 2
1087 1 82 CYS H 1 90 MET HB2 . . 5.500 4.425 2.955 5.257 . 0 0 "[ . 1 . ]" 2
1088 1 82 CYS H 1 90 MET HB3 . . 3.550 3.300 3.080 3.548 . 0 0 "[ . 1 . ]" 2
1089 1 82 CYS H 1 90 MET QG . . 6.380 3.925 3.209 5.091 . 0 0 "[ . 1 . ]" 2
1090 1 82 CYS H 1 91 VAL HA . . 4.200 3.914 3.602 4.219 0.019 17 0 "[ . 1 . ]" 2
1091 1 82 CYS H 1 91 VAL QG . . 7.650 3.486 2.937 4.229 . 0 0 "[ . 1 . ]" 2
1092 1 82 CYS HA 1 83 THR H . . 3.050 2.305 2.221 2.379 . 0 0 "[ . 1 . ]" 2
1093 1 82 CYS HB2 1 90 MET HB2 . . 5.410 3.737 2.072 5.288 . 0 0 "[ . 1 . ]" 2
1094 1 82 CYS HB2 1 90 MET HG2 . . 6.510 3.027 1.993 4.558 . 0 0 "[ . 1 . ]" 2
1095 1 82 CYS HB2 1 90 MET HG3 . . 6.510 4.029 3.673 4.456 . 0 0 "[ . 1 . ]" 2
1096 1 82 CYS HB2 1 90 MET ME . . 6.430 2.897 2.307 3.457 . 0 0 "[ . 1 . ]" 2
1097 1 82 CYS HB3 1 90 MET HB2 . . 5.410 3.610 2.574 4.586 . 0 0 "[ . 1 . ]" 2
1098 1 82 CYS HB3 1 90 MET HG2 . . 6.510 3.671 1.985 5.483 . 0 0 "[ . 1 . ]" 2
1099 1 82 CYS HB3 1 90 MET HG3 . . 6.510 4.448 3.691 5.300 . 0 0 "[ . 1 . ]" 2
1100 1 82 CYS HB3 1 90 MET ME . . 6.430 3.806 2.607 4.526 . 0 0 "[ . 1 . ]" 2
1101 1 82 CYS QB 1 85 HIS QB . . 6.230 2.589 1.920 4.040 . 0 0 "[ . 1 . ]" 2
1102 1 82 CYS QB 1 90 MET HB2 . . 4.870 3.133 2.001 3.780 . 0 0 "[ . 1 . ]" 2
1103 1 82 CYS QB 1 90 MET QG . . 5.110 2.475 1.928 3.611 . 0 0 "[ . 1 . ]" 2
1104 1 82 CYS QB 1 90 MET ME . . 6.170 2.795 2.161 3.348 . 0 0 "[ . 1 . ]" 2
1105 1 83 THR H 1 83 THR HB . . 3.300 2.096 1.996 2.735 . 0 0 "[ . 1 . ]" 2
1106 1 83 THR H 1 84 PRO HD2 . . 5.000 2.259 1.903 2.769 . 0 0 "[ . 1 . ]" 2
1107 1 83 THR H 1 84 PRO HD3 . . 5.000 2.585 2.153 3.108 . 0 0 "[ . 1 . ]" 2
1108 1 83 THR H 1 84 PRO QD . . 4.460 2.123 1.799 2.588 . 0 0 "[ . 1 . ]" 2
1109 1 83 THR HA 1 86 ARG HD2 . . 5.500 3.971 1.993 5.501 0.001 3 0 "[ . 1 . ]" 2
1110 1 83 THR HA 1 86 ARG HD3 . . 5.500 3.410 2.134 4.655 . 0 0 "[ . 1 . ]" 2
1111 1 83 THR HA 1 86 ARG QD . . 5.280 3.174 1.961 4.408 . 0 0 "[ . 1 . ]" 2
1112 1 83 THR HB 1 84 PRO HD2 . . 3.760 3.053 2.864 3.371 . 0 0 "[ . 1 . ]" 2
1113 1 83 THR HB 1 84 PRO HD3 . . 3.760 1.975 1.859 2.196 . 0 0 "[ . 1 . ]" 2
1114 1 83 THR HB 1 84 PRO QD . . 3.330 1.952 1.837 2.164 . 0 0 "[ . 1 . ]" 2
1115 1 83 THR MG 1 84 PRO HA . . 6.530 3.132 2.986 4.484 . 0 0 "[ . 1 . ]" 2
1116 1 83 THR MG 1 84 PRO HB3 . . 6.530 3.438 3.206 5.371 . 0 0 "[ . 1 . ]" 2
1117 1 83 THR MG 1 84 PRO HD2 . . 6.530 3.440 3.241 4.589 . 0 0 "[ . 1 . ]" 2
1118 1 83 THR MG 1 84 PRO HD3 . . 6.530 2.124 1.920 3.712 . 0 0 "[ . 1 . ]" 2
1119 1 84 PRO HA 1 86 ARG H . . 4.230 3.620 3.121 4.236 0.006 16 0 "[ . 1 . ]" 2
1120 1 84 PRO HB2 1 85 HIS HD2 . . 5.220 4.211 3.030 5.107 . 0 0 "[ . 1 . ]" 2
1121 1 84 PRO HB2 1 85 HIS HE1 . . 5.500 3.987 2.811 4.754 . 0 0 "[ . 1 . ]" 2
1122 1 84 PRO HG2 1 85 HIS HE1 . . 5.070 3.580 2.835 3.871 . 0 0 "[ . 1 . ]" 2
1123 1 84 PRO HG3 1 85 HIS HE1 . . 5.070 4.882 4.141 5.107 0.037 15 0 "[ . 1 . ]" 2
1124 1 84 PRO QG 1 85 HIS HE1 . . 4.420 3.494 2.789 3.756 . 0 0 "[ . 1 . ]" 2
1125 1 85 HIS HA 1 85 HIS HD2 . . 4.850 2.943 2.762 3.224 . 0 0 "[ . 1 . ]" 2
1126 1 85 HIS HA 1 88 ALA H . . 4.380 2.877 2.504 3.433 . 0 0 "[ . 1 . ]" 2
1127 1 85 HIS HA 1 88 ALA MB . . 6.530 2.497 1.990 2.966 . 0 0 "[ . 1 . ]" 2
1128 1 85 HIS QB 1 88 ALA MB . . 6.350 2.097 1.772 2.569 . 0 0 "[ . 1 . ]" 2
1129 1 85 HIS QB 1 90 MET H . . 6.380 4.113 3.520 4.958 . 0 0 "[ . 1 . ]" 2
1130 1 85 HIS QB 1 90 MET HB2 . . 4.520 2.534 2.266 2.872 . 0 0 "[ . 1 . ]" 2
1131 1 85 HIS QB 1 90 MET QG . . 5.520 3.216 1.958 4.185 . 0 0 "[ . 1 . ]" 2
1132 1 85 HIS HD2 1 88 ALA MB . . 6.530 3.218 2.205 4.679 . 0 0 "[ . 1 . ]" 2
1133 1 86 ARG H 1 86 ARG QD . . 4.420 3.768 3.509 4.038 . 0 0 "[ . 1 . ]" 2
1134 1 86 ARG H 1 87 GLY H . . 4.170 2.681 2.064 4.231 0.061 17 0 "[ . 1 . ]" 2
1135 1 86 ARG HA 1 90 MET H . . 3.670 3.504 2.883 3.747 0.077 16 0 "[ . 1 . ]" 2
1136 1 86 ARG QD 1 87 GLY H . . 6.380 4.572 3.893 5.530 . 0 0 "[ . 1 . ]" 2
1137 1 87 GLY H 1 88 ALA H . . 3.730 2.280 1.933 2.871 . 0 0 "[ . 1 . ]" 2
1138 1 88 ALA H 1 89 GLY H . . 2.590 2.605 2.576 2.654 0.064 17 0 "[ . 1 . ]" 2
1139 1 88 ALA HA 1 89 GLY H . . 3.480 3.461 3.405 3.537 0.057 9 0 "[ . 1 . ]" 2
1140 1 89 GLY QA 1 90 MET H . . 3.120 2.519 2.296 2.658 . 0 0 "[ . 1 . ]" 2
1141 1 90 MET H 1 90 MET HB2 . . 3.480 2.836 2.274 3.298 . 0 0 "[ . 1 . ]" 2
1142 1 90 MET HA 1 90 MET HG2 . . 4.260 3.083 2.125 3.544 . 0 0 "[ . 1 . ]" 2
1143 1 90 MET HA 1 90 MET HG3 . . 4.260 2.649 2.293 3.403 . 0 0 "[ . 1 . ]" 2
1144 1 90 MET HA 1 90 MET QG . . 3.640 2.281 2.097 2.434 . 0 0 "[ . 1 . ]" 2
1145 1 90 MET HA 1 91 VAL H . . 2.590 2.365 2.224 2.531 . 0 0 "[ . 1 . ]" 2
1146 1 90 MET HA 1 91 VAL QG . . 6.820 3.609 3.419 3.751 . 0 0 "[ . 1 . ]" 2
1147 1 90 MET HB2 1 90 MET QG . . 2.610 2.452 2.215 2.561 . 0 0 "[ . 1 . ]" 2
1148 1 90 MET HB3 1 90 MET ME . . 5.070 3.314 1.881 4.123 . 0 0 "[ . 1 . ]" 2
1149 1 90 MET QG 1 91 VAL H . . 5.070 3.881 3.447 4.410 . 0 0 "[ . 1 . ]" 2
1150 1 91 VAL H 1 91 VAL HB . . 3.700 3.678 2.865 3.768 0.068 10 0 "[ . 1 . ]" 2
1151 1 91 VAL H 1 91 VAL MG1 . . 4.730 3.139 2.857 3.836 . 0 0 "[ . 1 . ]" 2
1152 1 91 VAL H 1 91 VAL MG2 . . 4.730 1.992 1.917 2.173 . 0 0 "[ . 1 . ]" 2
1153 1 91 VAL H 1 91 VAL QG . . 4.260 1.970 1.895 2.162 . 0 0 "[ . 1 . ]" 2
1154 1 91 VAL HA 1 92 GLY H . . 2.990 2.364 2.303 2.619 . 0 0 "[ . 1 . ]" 2
1155 1 91 VAL HB 1 92 GLY H . . 2.900 2.796 2.467 2.921 0.021 7 0 "[ . 1 . ]" 2
1156 1 91 VAL MG1 1 92 GLY H . . 5.850 3.647 1.897 3.940 . 0 0 "[ . 1 . ]" 2
1157 1 91 VAL MG2 1 92 GLY H . . 5.850 3.847 3.532 4.013 . 0 0 "[ . 1 . ]" 2
1158 1 92 GLY HA2 1 93 THR H . . 3.020 2.549 2.342 2.764 . 0 0 "[ . 1 . ]" 2
1159 1 92 GLY HA3 1 93 THR H . . 3.020 2.707 2.485 2.949 . 0 0 "[ . 1 . ]" 2
1160 1 92 GLY QA 1 93 THR H . . 2.730 2.306 2.257 2.333 . 0 0 "[ . 1 . ]" 2
1161 1 93 THR H 1 93 THR HB . . 3.610 3.054 2.889 3.366 . 0 0 "[ . 1 . ]" 2
1162 1 93 THR HA 1 94 ILE H . . 2.740 2.376 2.265 2.451 . 0 0 "[ . 1 . ]" 2
1163 1 93 THR HB 1 94 ILE H . . 3.420 3.479 3.434 3.520 0.100 19 0 "[ . 1 . ]" 2
1164 1 93 THR MG 1 94 ILE H . . 4.980 2.274 1.933 2.712 . 0 0 "[ . 1 . ]" 2
1165 1 94 ILE H 1 94 ILE HB . . 3.360 2.796 2.682 3.157 . 0 0 "[ . 1 . ]" 2
1166 1 94 ILE H 1 94 ILE HG12 . . 5.500 4.346 3.640 4.588 . 0 0 "[ . 1 . ]" 2
1167 1 94 ILE H 1 94 ILE HG13 . . 5.500 3.315 2.648 3.424 . 0 0 "[ . 1 . ]" 2
1168 1 94 ILE H 1 94 ILE QG . . 4.880 3.216 2.588 3.304 . 0 0 "[ . 1 . ]" 2
1169 1 94 ILE H 1 95 THR H . . 4.600 4.172 3.936 4.409 . 0 0 "[ . 1 . ]" 2
1170 1 94 ILE HA 1 94 ILE HG12 . . 3.760 2.569 2.411 2.930 . 0 0 "[ . 1 . ]" 2
1171 1 94 ILE HA 1 94 ILE HG13 . . 3.760 2.813 2.424 3.370 . 0 0 "[ . 1 . ]" 2
1172 1 94 ILE HA 1 94 ILE QG . . 3.540 2.357 2.304 2.720 . 0 0 "[ . 1 . ]" 2
1173 1 94 ILE HA 1 95 THR H . . 2.590 2.216 2.176 2.484 . 0 0 "[ . 1 . ]" 2
1174 1 94 ILE MG 1 95 THR H . . 4.110 2.675 1.912 3.004 . 0 0 "[ . 1 . ]" 2
1175 1 95 THR H 1 95 THR HB . . 2.870 2.587 2.434 2.884 0.014 12 0 "[ . 1 . ]" 2
1176 1 95 THR H 1 96 VAL QG . . 8.090 4.236 3.749 4.432 . 0 0 "[ . 1 . ]" 2
1177 1 95 THR HA 1 96 VAL H . . 2.590 2.262 2.213 2.352 . 0 0 "[ . 1 . ]" 2
1178 1 95 THR HA 1 96 VAL HB . . 4.480 4.186 4.138 4.334 . 0 0 "[ . 1 . ]" 2
1179 1 95 THR HB 1 96 VAL H . . 4.040 4.029 3.929 4.079 0.039 11 0 "[ . 1 . ]" 2
1180 1 95 THR MG 1 96 VAL H . . 4.640 2.462 2.086 3.486 . 0 0 "[ . 1 . ]" 2
1181 1 95 THR MG 1 97 GLU QG . . 7.400 3.356 2.343 4.400 . 0 0 "[ . 1 . ]" 2
1182 1 96 VAL H 1 96 VAL HB . . 3.020 2.494 2.462 2.558 . 0 0 "[ . 1 . ]" 2
1183 1 96 VAL H 1 97 GLU H . . 4.660 3.501 3.404 3.737 . 0 0 "[ . 1 . ]" 2
1184 1 96 VAL HA 1 97 GLU H . . 2.430 2.415 2.319 2.446 0.016 9 0 "[ . 1 . ]" 2
1185 1 96 VAL HB 1 97 GLU H . . 4.720 4.623 4.595 4.645 . 0 0 "[ . 1 . ]" 2
1186 1 96 VAL MG1 1 97 GLU H . . 5.780 3.710 3.619 3.776 . 0 0 "[ . 1 . ]" 2
1187 1 96 VAL MG2 1 97 GLU H . . 5.780 4.263 4.226 4.318 . 0 0 "[ . 1 . ]" 2
1188 1 96 VAL QG 1 97 GLU H . . 4.960 3.493 3.429 3.541 . 0 0 "[ . 1 . ]" 2
1189 1 97 GLU H 1 97 GLU HB2 . . 3.670 2.272 2.065 3.589 . 0 0 "[ . 1 . ]" 2
1190 1 97 GLU H 1 97 GLU HB3 . . 3.670 3.038 2.528 3.455 . 0 0 "[ . 1 . ]" 2
1191 1 97 GLU H 1 97 GLU QB . . 3.270 2.155 2.036 2.561 . 0 0 "[ . 1 . ]" 2
1192 1 97 GLU H 1 97 GLU HG2 . . 4.660 4.046 2.558 4.613 . 0 0 "[ . 1 . ]" 2
1193 1 97 GLU H 1 97 GLU HG3 . . 4.660 3.942 2.411 4.593 . 0 0 "[ . 1 . ]" 2
1194 1 97 GLU H 1 97 GLU QG . . 4.520 3.532 2.207 4.008 . 0 0 "[ . 1 . ]" 2
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