NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472986 |
2wnm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2wnm
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 770
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 7.605
_Distance_constraint_stats_list.Viol_max 0.299
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0724
_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 9 LEU 0.000 0.000 . 0 "[ ]"
1 10 SER 0.332 0.185 1 0 "[ ]"
1 11 VAL 0.247 0.185 1 0 "[ ]"
1 12 ASP 0.000 0.000 . 0 "[ ]"
1 13 ASN 0.038 0.038 1 0 "[ ]"
1 14 LYS 0.222 0.130 1 0 "[ ]"
1 15 LYS 0.142 0.113 1 0 "[ ]"
1 16 PHE 0.625 0.148 1 0 "[ ]"
1 17 TRP 0.237 0.105 1 0 "[ ]"
1 18 ALA 0.028 0.021 1 0 "[ ]"
1 19 THR 0.249 0.249 1 0 "[ ]"
1 20 VAL 0.225 0.085 1 0 "[ ]"
1 21 GLU 0.599 0.197 1 0 "[ ]"
1 22 SER 0.087 0.073 1 0 "[ ]"
1 23 SER 0.000 0.000 . 0 "[ ]"
1 24 GLU 0.099 0.062 1 0 "[ ]"
1 25 HIS 0.190 0.118 1 0 "[ ]"
1 26 SER 0.230 0.155 1 0 "[ ]"
1 27 PHE 0.898 0.298 1 0 "[ ]"
1 28 GLU 0.369 0.250 1 0 "[ ]"
1 29 VAL 0.260 0.087 1 0 "[ ]"
1 30 PRO 0.043 0.034 1 0 "[ ]"
1 31 ILE 0.579 0.146 1 0 "[ ]"
1 32 TYR 0.365 0.130 1 0 "[ ]"
1 33 ALA 0.707 0.299 1 0 "[ ]"
1 34 GLU 0.051 0.051 1 0 "[ ]"
1 35 THR 0.165 0.052 1 0 "[ ]"
1 36 LEU 0.389 0.175 1 0 "[ ]"
1 37 ASP 0.438 0.175 1 0 "[ ]"
1 38 GLU 0.982 0.299 1 0 "[ ]"
1 39 ALA 0.315 0.222 1 0 "[ ]"
1 40 LEU 0.151 0.075 1 0 "[ ]"
1 41 GLU 0.097 0.097 1 0 "[ ]"
1 42 LEU 0.236 0.097 1 0 "[ ]"
1 43 ALA 0.228 0.134 1 0 "[ ]"
1 44 GLU 0.000 0.000 . 0 "[ ]"
1 45 TRP 0.017 0.017 1 0 "[ ]"
1 46 GLN 0.369 0.264 1 0 "[ ]"
1 47 TYR 0.481 0.264 1 0 "[ ]"
1 48 VAL 0.000 0.000 . 0 "[ ]"
1 49 PRO 0.000 0.000 . 0 "[ ]"
1 50 ALA 0.129 0.083 1 0 "[ ]"
1 51 GLY 0.000 0.000 . 0 "[ ]"
1 52 PHE 0.163 0.085 1 0 "[ ]"
1 53 GLU 0.348 0.179 1 0 "[ ]"
1 54 VAL 0.305 0.179 1 0 "[ ]"
1 55 THR 0.474 0.197 1 0 "[ ]"
1 56 ARG 0.433 0.249 1 0 "[ ]"
1 57 VAL 0.065 0.043 1 0 "[ ]"
1 58 ARG 0.373 0.148 1 0 "[ ]"
1 59 PRO 0.359 0.118 1 0 "[ ]"
1 60 CYS 0.241 0.147 1 0 "[ ]"
1 61 VAL 0.062 0.062 1 0 "[ ]"
1 62 ALA 0.062 0.062 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LEU HA 1 9 LEU HB3 2.452 . 3.204 3.015 3.015 3.015 . 0 0 "[ ]" 1
2 1 9 LEU HA 1 9 LEU MD1 2.068 . 2.603 1.995 1.995 1.995 . 0 0 "[ ]" 1
3 1 9 LEU HA 1 9 LEU MD2 3.017 . 4.155 3.869 3.869 3.869 . 0 0 "[ ]" 1
4 1 9 LEU HA 1 9 LEU HG 2.652 . 3.531 2.968 2.968 2.968 . 0 0 "[ ]" 1
5 1 9 LEU HA 1 10 SER H 3.391 . 4.829 3.338 3.338 3.338 . 0 0 "[ ]" 1
6 1 10 SER H 1 10 SER HB3 3.500 . 5.032 3.519 3.519 3.519 . 0 0 "[ ]" 1
7 1 10 SER HA 1 11 VAL H 2.443 . 3.189 2.756 2.756 2.756 . 0 0 "[ ]" 1
8 1 10 SER HA 1 12 ASP H 3.581 . 5.184 4.741 4.741 4.741 . 0 0 "[ ]" 1
9 1 10 SER HB3 1 11 VAL H 3.140 . 4.373 4.558 4.558 4.558 0.185 1 0 "[ ]" 1
10 1 10 SER HB3 1 12 ASP H 3.602 . 5.224 5.104 5.104 5.104 . 0 0 "[ ]" 1
11 1 10 SER HB3 1 60 CYS HB3 2.438 . 3.181 3.328 3.328 3.328 0.147 1 0 "[ ]" 1
12 1 11 VAL H 1 11 VAL HA 2.929 . 4.002 2.855 2.855 2.855 . 0 0 "[ ]" 1
13 1 11 VAL H 1 11 VAL HB 2.794 . 3.770 3.609 3.609 3.609 . 0 0 "[ ]" 1
14 1 11 VAL H 1 11 VAL QG 2.533 . 3.335 1.791 1.791 1.791 . 0 0 "[ ]" 1
15 1 11 VAL HA 1 11 VAL HB 1.979 . 2.468 2.530 2.530 2.530 0.062 1 0 "[ ]" 1
16 1 11 VAL HA 1 11 VAL QG 1.836 . 2.257 2.202 2.202 2.202 . 0 0 "[ ]" 1
17 1 11 VAL HA 1 12 ASP H 2.372 . 3.075 2.268 2.268 2.268 . 0 0 "[ ]" 1
18 1 11 VAL HB 1 12 ASP H 3.063 . 4.236 4.076 4.076 4.076 . 0 0 "[ ]" 1
19 1 11 VAL QG 1 12 ASP H 2.872 . 3.903 3.743 3.743 3.743 . 0 0 "[ ]" 1
20 1 11 VAL QG 1 13 ASN H 2.977 . 4.085 3.280 3.280 3.280 . 0 0 "[ ]" 1
21 1 11 VAL QG 1 13 ASN QB 2.593 . 3.434 3.424 3.424 3.424 . 0 0 "[ ]" 1
22 1 12 ASP H 1 12 ASP HB2 2.654 . 3.534 3.401 3.401 3.401 . 0 0 "[ ]" 1
23 1 12 ASP H 1 13 ASN H 3.288 . 4.639 3.199 3.199 3.199 . 0 0 "[ ]" 1
24 1 12 ASP HA 1 12 ASP HB2 2.542 . 3.350 2.963 2.963 2.963 . 0 0 "[ ]" 1
25 1 12 ASP HB2 1 13 ASN H 3.519 . 5.067 3.061 3.061 3.061 . 0 0 "[ ]" 1
26 1 13 ASN H 1 13 ASN QB 2.544 . 3.353 2.213 2.213 2.213 . 0 0 "[ ]" 1
27 1 13 ASN HA 1 13 ASN QB 2.619 . 3.476 2.459 2.459 2.459 . 0 0 "[ ]" 1
28 1 13 ASN QB 1 14 LYS H 2.878 . 3.914 3.450 3.450 3.450 . 0 0 "[ ]" 1
29 1 13 ASN QB 1 32 TYR QD 2.035 . 2.553 2.591 2.591 2.591 0.038 1 0 "[ ]" 1
30 1 13 ASN QB 1 32 TYR QE 2.825 . 3.822 2.344 2.344 2.344 . 0 0 "[ ]" 1
31 1 14 LYS H 1 14 LYS HA 2.793 . 3.768 2.864 2.864 2.864 . 0 0 "[ ]" 1
32 1 14 LYS H 1 15 LYS H 3.414 . 4.871 4.018 4.018 4.018 . 0 0 "[ ]" 1
33 1 14 LYS H 1 33 ALA H 3.276 . 4.617 4.408 4.408 4.408 . 0 0 "[ ]" 1
34 1 14 LYS HA 1 14 LYS QB 2.269 . 2.913 2.388 2.388 2.388 . 0 0 "[ ]" 1
35 1 14 LYS HA 1 14 LYS QD 2.445 . 3.192 2.050 2.050 2.050 . 0 0 "[ ]" 1
36 1 14 LYS HA 1 14 LYS QG 2.219 . 2.834 2.854 2.854 2.854 0.020 1 0 "[ ]" 1
37 1 14 LYS HA 1 15 LYS H 2.539 . 3.345 2.264 2.264 2.264 . 0 0 "[ ]" 1
38 1 14 LYS QB 1 14 LYS QE 3.027 . 4.172 3.723 3.723 3.723 . 0 0 "[ ]" 1
39 1 14 LYS QB 1 15 LYS H 2.971 . 4.074 3.767 3.767 3.767 . 0 0 "[ ]" 1
40 1 14 LYS QB 1 16 PHE QD 3.225 . 4.525 3.345 3.345 3.345 . 0 0 "[ ]" 1
41 1 14 LYS QB 1 16 PHE QE 2.391 . 3.106 1.982 1.982 1.982 . 0 0 "[ ]" 1
42 1 14 LYS QB 1 32 TYR QD 2.990 . 4.108 4.238 4.238 4.238 0.130 1 0 "[ ]" 1
43 1 14 LYS QB 1 33 ALA H 3.271 . 4.608 2.853 2.853 2.853 . 0 0 "[ ]" 1
44 1 14 LYS QD 1 14 LYS QE 2.224 . 2.842 2.002 2.002 2.002 . 0 0 "[ ]" 1
45 1 14 LYS QD 1 16 PHE QE 3.051 . 4.215 3.734 3.734 3.734 . 0 0 "[ ]" 1
46 1 14 LYS QD 1 16 PHE HZ 2.643 . 3.516 3.588 3.588 3.588 0.072 1 0 "[ ]" 1
47 1 14 LYS QE 1 14 LYS QG 2.531 . 3.332 2.353 2.353 2.353 . 0 0 "[ ]" 1
48 1 14 LYS QG 1 16 PHE QE 3.502 . 5.035 3.506 3.506 3.506 . 0 0 "[ ]" 1
49 1 14 LYS QG 1 16 PHE HZ 3.167 . 4.421 4.224 4.224 4.224 . 0 0 "[ ]" 1
50 1 15 LYS H 1 15 LYS HB2 2.803 . 3.785 2.484 2.484 2.484 . 0 0 "[ ]" 1
51 1 15 LYS HA 1 15 LYS HB2 2.754 . 3.702 2.530 2.530 2.530 . 0 0 "[ ]" 1
52 1 15 LYS HA 1 15 LYS HB3 2.321 . 2.994 3.022 3.022 3.022 0.028 1 0 "[ ]" 1
53 1 15 LYS HA 1 15 LYS QD 3.046 . 4.206 4.045 4.045 4.045 . 0 0 "[ ]" 1
54 1 15 LYS HA 1 15 LYS HG2 2.662 . 3.548 2.921 2.921 2.921 . 0 0 "[ ]" 1
55 1 15 LYS HA 1 15 LYS HG3 2.703 . 3.617 2.608 2.608 2.608 . 0 0 "[ ]" 1
56 1 15 LYS HA 1 16 PHE H 2.310 . 2.977 2.101 2.101 2.101 . 0 0 "[ ]" 1
57 1 15 LYS HA 1 16 PHE QD 2.980 . 4.090 3.803 3.803 3.803 . 0 0 "[ ]" 1
58 1 15 LYS HA 1 32 TYR HA 2.310 . 2.977 3.090 3.090 3.090 0.113 1 0 "[ ]" 1
59 1 15 LYS HA 1 32 TYR QD 2.691 . 3.596 3.004 3.004 3.004 . 0 0 "[ ]" 1
60 1 15 LYS HB2 1 15 LYS HG2 2.686 . 3.588 3.010 3.010 3.010 . 0 0 "[ ]" 1
61 1 15 LYS HB2 1 15 LYS HG3 2.754 . 3.702 2.394 2.394 2.394 . 0 0 "[ ]" 1
62 1 15 LYS HB2 1 32 TYR QE 3.309 . 4.677 2.251 2.251 2.251 . 0 0 "[ ]" 1
63 1 15 LYS HB2 1 60 CYS HB3 2.878 . 3.913 3.862 3.862 3.862 . 0 0 "[ ]" 1
64 1 15 LYS HB3 1 15 LYS HG2 2.697 . 3.606 2.499 2.499 2.499 . 0 0 "[ ]" 1
65 1 15 LYS HB3 1 15 LYS HG3 2.640 . 3.511 3.010 3.010 3.010 . 0 0 "[ ]" 1
66 1 15 LYS HB3 1 32 TYR QE 2.946 . 4.031 3.953 3.953 3.953 . 0 0 "[ ]" 1
67 1 15 LYS HB3 1 60 CYS HB2 3.139 . 4.371 3.270 3.270 3.270 . 0 0 "[ ]" 1
68 1 15 LYS HB3 1 60 CYS HB3 2.362 . 3.059 2.109 2.109 2.109 . 0 0 "[ ]" 1
69 1 15 LYS QD 1 15 LYS HE2 2.337 . 3.019 2.357 2.357 2.357 . 0 0 "[ ]" 1
70 1 15 LYS QD 1 15 LYS HE3 2.280 . 2.930 2.330 2.330 2.330 . 0 0 "[ ]" 1
71 1 15 LYS QD 1 15 LYS HG2 2.262 . 2.902 2.258 2.258 2.258 . 0 0 "[ ]" 1
72 1 15 LYS QD 1 15 LYS HG3 2.398 . 3.117 2.426 2.426 2.426 . 0 0 "[ ]" 1
73 1 15 LYS QD 1 17 TRP HZ2 3.057 . 4.225 3.509 3.509 3.509 . 0 0 "[ ]" 1
74 1 15 LYS QD 1 32 TYR QE 2.809 . 3.795 3.670 3.670 3.670 . 0 0 "[ ]" 1
75 1 15 LYS QD 1 60 CYS HB2 2.691 . 3.596 3.077 3.077 3.077 . 0 0 "[ ]" 1
76 1 15 LYS QD 1 60 CYS HB3 2.462 . 3.220 2.926 2.926 2.926 . 0 0 "[ ]" 1
77 1 15 LYS HE2 1 15 LYS HG2 2.721 . 3.646 2.679 2.679 2.679 . 0 0 "[ ]" 1
78 1 15 LYS HE2 1 15 LYS HG3 2.860 . 3.883 2.831 2.831 2.831 . 0 0 "[ ]" 1
79 1 15 LYS HE2 1 17 TRP HZ2 2.687 . 3.589 2.698 2.698 2.698 . 0 0 "[ ]" 1
80 1 15 LYS HE2 1 30 PRO HB2 3.101 . 4.303 3.669 3.669 3.669 . 0 0 "[ ]" 1
81 1 15 LYS HE3 1 15 LYS HG2 2.828 . 3.828 3.313 3.313 3.313 . 0 0 "[ ]" 1
82 1 15 LYS HE3 1 15 LYS HG3 2.667 . 3.556 2.430 2.430 2.430 . 0 0 "[ ]" 1
83 1 15 LYS HE3 1 30 PRO HB2 2.924 . 3.993 3.403 3.403 3.403 . 0 0 "[ ]" 1
84 1 15 LYS HE3 1 30 PRO HB3 3.030 . 4.178 2.622 2.622 2.622 . 0 0 "[ ]" 1
85 1 15 LYS HE3 1 32 TYR QE 3.205 . 4.489 3.662 3.662 3.662 . 0 0 "[ ]" 1
86 1 15 LYS HG2 1 16 PHE H 3.205 . 4.489 2.892 2.892 2.892 . 0 0 "[ ]" 1
87 1 15 LYS HG2 1 60 CYS HB2 3.064 . 4.237 3.063 3.063 3.063 . 0 0 "[ ]" 1
88 1 15 LYS HG2 1 60 CYS HB3 3.115 . 4.328 3.315 3.315 3.315 . 0 0 "[ ]" 1
89 1 15 LYS HG3 1 16 PHE H 3.080 . 4.266 3.417 3.417 3.417 . 0 0 "[ ]" 1
90 1 15 LYS HG3 1 31 ILE H 3.628 . 5.273 4.729 4.729 4.729 . 0 0 "[ ]" 1
91 1 16 PHE H 1 16 PHE HB2 2.803 . 3.785 2.550 2.550 2.550 . 0 0 "[ ]" 1
92 1 16 PHE H 1 31 ILE H 2.922 . 3.989 3.029 3.029 3.029 . 0 0 "[ ]" 1
93 1 16 PHE H 1 31 ILE HB 3.223 . 4.521 3.289 3.289 3.289 . 0 0 "[ ]" 1
94 1 16 PHE HA 1 16 PHE HB2 2.734 . 3.668 3.026 3.026 3.026 . 0 0 "[ ]" 1
95 1 16 PHE HA 1 16 PHE HB3 2.525 . 3.322 2.553 2.553 2.553 . 0 0 "[ ]" 1
96 1 16 PHE HA 1 16 PHE QD 2.666 . 3.554 2.855 2.855 2.855 . 0 0 "[ ]" 1
97 1 16 PHE HA 1 17 TRP H 2.391 . 3.106 2.337 2.337 2.337 . 0 0 "[ ]" 1
98 1 16 PHE HA 1 58 ARG H 3.382 . 4.812 4.813 4.813 4.813 0.001 1 0 "[ ]" 1
99 1 16 PHE HA 1 59 PRO HB3 3.187 . 4.456 4.546 4.546 4.546 0.090 1 0 "[ ]" 1
100 1 16 PHE HA 1 60 CYS H 2.433 . 3.173 2.174 2.174 2.174 . 0 0 "[ ]" 1
101 1 16 PHE HB2 1 16 PHE QD 2.474 . 3.239 2.345 2.345 2.345 . 0 0 "[ ]" 1
102 1 16 PHE HB2 1 16 PHE QE 3.069 . 4.247 4.371 4.371 4.371 0.124 1 0 "[ ]" 1
103 1 16 PHE HB2 1 17 TRP H 2.923 . 3.991 3.824 3.824 3.824 . 0 0 "[ ]" 1
104 1 16 PHE HB2 1 31 ILE H 3.293 . 4.649 3.309 3.309 3.309 . 0 0 "[ ]" 1
105 1 16 PHE HB2 1 31 ILE HB 2.450 . 3.200 1.685 1.685 1.685 0.015 1 0 "[ ]" 1
106 1 16 PHE HB2 1 31 ILE HG12 3.281 . 4.627 4.114 4.114 4.114 . 0 0 "[ ]" 1
107 1 16 PHE HB2 1 31 ILE MG 2.839 . 3.847 2.674 2.674 2.674 . 0 0 "[ ]" 1
108 1 16 PHE HB2 1 39 ALA MB 2.507 . 3.293 2.490 2.490 2.490 . 0 0 "[ ]" 1
109 1 16 PHE HB2 1 59 PRO HA 3.353 . 4.758 4.583 4.583 4.583 . 0 0 "[ ]" 1
110 1 16 PHE HB3 1 16 PHE QD 2.290 . 2.945 2.400 2.400 2.400 . 0 0 "[ ]" 1
111 1 16 PHE HB3 1 16 PHE QE 3.171 . 4.428 4.394 4.394 4.394 . 0 0 "[ ]" 1
112 1 16 PHE HB3 1 17 TRP H 2.634 . 3.501 2.598 2.598 2.598 . 0 0 "[ ]" 1
113 1 16 PHE HB3 1 31 ILE H 3.582 . 5.186 4.122 4.122 4.122 . 0 0 "[ ]" 1
114 1 16 PHE HB3 1 31 ILE HB 2.664 . 3.551 2.763 2.763 2.763 . 0 0 "[ ]" 1
115 1 16 PHE HB3 1 31 ILE HG12 3.304 . 4.668 4.590 4.590 4.590 . 0 0 "[ ]" 1
116 1 16 PHE HB3 1 31 ILE HG13 2.898 . 3.948 4.007 4.007 4.007 0.059 1 0 "[ ]" 1
117 1 16 PHE HB3 1 31 ILE MG 3.109 . 4.317 3.738 3.738 3.738 . 0 0 "[ ]" 1
118 1 16 PHE HB3 1 39 ALA MB 2.566 . 3.389 2.678 2.678 2.678 . 0 0 "[ ]" 1
119 1 16 PHE HB3 1 57 VAL MG1 2.214 . 2.827 2.322 2.322 2.322 . 0 0 "[ ]" 1
120 1 16 PHE HB3 1 58 ARG H 3.226 . 4.527 3.805 3.805 3.805 . 0 0 "[ ]" 1
121 1 16 PHE HB3 1 59 PRO HA 2.795 . 3.771 3.652 3.652 3.652 . 0 0 "[ ]" 1
122 1 16 PHE QD 1 31 ILE MG 3.039 . 4.193 2.960 2.960 2.960 . 0 0 "[ ]" 1
123 1 16 PHE QD 1 32 TYR HA 2.553 . 3.368 3.081 3.081 3.081 . 0 0 "[ ]" 1
124 1 16 PHE QD 1 33 ALA H 2.776 . 3.740 2.636 2.636 2.636 . 0 0 "[ ]" 1
125 1 16 PHE QD 1 33 ALA MB 2.486 . 3.259 3.129 3.129 3.129 . 0 0 "[ ]" 1
126 1 16 PHE QD 1 36 LEU MD2 2.398 . 3.117 2.286 2.286 2.286 . 0 0 "[ ]" 1
127 1 16 PHE QD 1 39 ALA MB 2.403 . 3.125 2.633 2.633 2.633 . 0 0 "[ ]" 1
128 1 16 PHE QD 1 57 VAL MG1 2.328 . 3.005 3.016 3.016 3.016 0.011 1 0 "[ ]" 1
129 1 16 PHE QD 1 58 ARG H 3.526 . 5.080 4.186 4.186 4.186 . 0 0 "[ ]" 1
130 1 16 PHE QD 1 58 ARG HA 3.084 . 4.273 3.781 3.781 3.781 . 0 0 "[ ]" 1
131 1 16 PHE QD 1 59 PRO HA 2.178 . 2.771 1.965 1.965 1.965 . 0 0 "[ ]" 1
132 1 16 PHE QD 1 59 PRO HB2 3.060 . 4.231 4.262 4.262 4.262 0.031 1 0 "[ ]" 1
133 1 16 PHE QD 1 59 PRO HB3 2.873 . 3.905 3.110 3.110 3.110 . 0 0 "[ ]" 1
134 1 16 PHE QD 1 59 PRO QG 2.823 . 3.819 3.203 3.203 3.203 . 0 0 "[ ]" 1
135 1 16 PHE QD 1 60 CYS H 3.050 . 4.213 3.766 3.766 3.766 . 0 0 "[ ]" 1
136 1 16 PHE QE 1 33 ALA H 3.000 . 4.125 3.078 3.078 3.078 . 0 0 "[ ]" 1
137 1 16 PHE QE 1 33 ALA MB 2.464 . 3.223 3.036 3.036 3.036 . 0 0 "[ ]" 1
138 1 16 PHE QE 1 35 THR H 3.589 . 5.199 4.650 4.650 4.650 . 0 0 "[ ]" 1
139 1 16 PHE QE 1 36 LEU HA 2.568 . 3.392 3.172 3.172 3.172 . 0 0 "[ ]" 1
140 1 16 PHE QE 1 36 LEU HB2 2.370 . 3.072 3.076 3.076 3.076 0.004 1 0 "[ ]" 1
141 1 16 PHE QE 1 36 LEU MD2 2.385 . 3.096 2.150 2.150 2.150 . 0 0 "[ ]" 1
142 1 16 PHE QE 1 36 LEU HG 2.883 . 3.922 3.836 3.836 3.836 . 0 0 "[ ]" 1
143 1 16 PHE QE 1 39 ALA H 3.594 . 5.209 4.677 4.677 4.677 . 0 0 "[ ]" 1
144 1 16 PHE QE 1 39 ALA MB 2.798 . 3.777 3.137 3.137 3.137 . 0 0 "[ ]" 1
145 1 16 PHE QE 1 58 ARG HA 3.356 . 4.764 4.912 4.912 4.912 0.148 1 0 "[ ]" 1
146 1 16 PHE QE 1 59 PRO HA 2.561 . 3.381 2.976 2.976 2.976 . 0 0 "[ ]" 1
147 1 16 PHE QE 1 59 PRO HB2 2.671 . 3.563 3.632 3.632 3.632 0.069 1 0 "[ ]" 1
148 1 16 PHE QE 1 59 PRO HB3 2.683 . 3.583 1.990 1.990 1.990 . 0 0 "[ ]" 1
149 1 16 PHE QE 1 59 PRO QD 3.246 . 4.563 3.826 3.826 3.826 . 0 0 "[ ]" 1
150 1 16 PHE QE 1 59 PRO QG 2.604 . 3.452 2.140 2.140 2.140 . 0 0 "[ ]" 1
151 1 16 PHE QE 1 60 CYS H 3.378 . 4.805 4.773 4.773 4.773 . 0 0 "[ ]" 1
152 1 16 PHE HZ 1 35 THR HA 2.628 . 3.491 3.475 3.475 3.475 . 0 0 "[ ]" 1
153 1 16 PHE HZ 1 36 LEU HA 2.949 . 4.036 3.557 3.557 3.557 . 0 0 "[ ]" 1
154 1 16 PHE HZ 1 36 LEU MD2 3.003 . 4.130 3.891 3.891 3.891 . 0 0 "[ ]" 1
155 1 16 PHE HZ 1 39 ALA MB 3.364 . 4.778 3.940 3.940 3.940 . 0 0 "[ ]" 1
156 1 17 TRP H 1 17 TRP HA 2.967 . 4.067 2.936 2.936 2.936 . 0 0 "[ ]" 1
157 1 17 TRP H 1 17 TRP HB2 2.676 . 3.571 2.527 2.527 2.527 . 0 0 "[ ]" 1
158 1 17 TRP H 1 57 VAL HA 3.581 . 5.184 4.470 4.470 4.470 . 0 0 "[ ]" 1
159 1 17 TRP H 1 57 VAL MG1 3.103 . 4.307 3.421 3.421 3.421 . 0 0 "[ ]" 1
160 1 17 TRP H 1 58 ARG H 2.832 . 3.834 2.848 2.848 2.848 . 0 0 "[ ]" 1
161 1 17 TRP H 1 58 ARG HG3 3.222 . 4.520 3.079 3.079 3.079 . 0 0 "[ ]" 1
162 1 17 TRP H 1 59 PRO HA 3.114 . 4.326 3.690 3.690 3.690 . 0 0 "[ ]" 1
163 1 17 TRP H 1 60 CYS H 3.298 . 4.658 3.811 3.811 3.811 . 0 0 "[ ]" 1
164 1 17 TRP HA 1 17 TRP HB2 2.745 . 3.687 3.017 3.017 3.017 . 0 0 "[ ]" 1
165 1 17 TRP HA 1 17 TRP HB3 2.704 . 3.618 2.537 2.537 2.537 . 0 0 "[ ]" 1
166 1 17 TRP HA 1 17 TRP HD1 3.176 . 4.437 4.385 4.385 4.385 . 0 0 "[ ]" 1
167 1 17 TRP HA 1 17 TRP HE3 2.430 . 3.168 2.529 2.529 2.529 . 0 0 "[ ]" 1
168 1 17 TRP HA 1 18 ALA H 2.210 . 2.821 2.149 2.149 2.149 . 0 0 "[ ]" 1
169 1 17 TRP HA 1 18 ALA MB 3.116 . 4.329 4.070 4.070 4.070 . 0 0 "[ ]" 1
170 1 17 TRP HA 1 31 ILE H 3.029 . 4.176 3.122 3.122 3.122 . 0 0 "[ ]" 1
171 1 17 TRP HB2 1 17 TRP HD1 2.522 . 3.317 2.556 2.556 2.556 . 0 0 "[ ]" 1
172 1 17 TRP HB2 1 17 TRP HE3 3.098 . 4.298 4.196 4.196 4.196 . 0 0 "[ ]" 1
173 1 17 TRP HB2 1 58 ARG HG2 2.792 . 3.766 2.153 2.153 2.153 . 0 0 "[ ]" 1
174 1 17 TRP HB2 1 58 ARG HG3 2.743 . 3.683 2.362 2.362 2.362 . 0 0 "[ ]" 1
175 1 17 TRP HB3 1 17 TRP HD1 2.908 . 3.965 3.682 3.682 3.682 . 0 0 "[ ]" 1
176 1 17 TRP HB3 1 17 TRP HE3 2.480 . 3.249 2.817 2.817 2.817 . 0 0 "[ ]" 1
177 1 17 TRP HB3 1 18 ALA H 3.041 . 4.197 3.726 3.726 3.726 . 0 0 "[ ]" 1
178 1 17 TRP HD1 1 58 ARG HG2 2.960 . 4.055 4.160 4.160 4.160 0.105 1 0 "[ ]" 1
179 1 17 TRP HD1 1 58 ARG HG3 2.946 . 4.031 3.139 3.139 3.139 . 0 0 "[ ]" 1
180 1 17 TRP HD1 1 60 CYS HA 2.305 . 2.969 2.969 2.969 2.969 . 0 0 "[ ]" 1
181 1 17 TRP HD1 1 60 CYS HB2 2.651 . 3.530 2.567 2.567 2.567 . 0 0 "[ ]" 1
182 1 17 TRP HD1 1 60 CYS HB3 3.013 . 4.148 4.242 4.242 4.242 0.094 1 0 "[ ]" 1
183 1 17 TRP HE1 1 60 CYS HA 3.449 . 4.936 3.957 3.957 3.957 . 0 0 "[ ]" 1
184 1 17 TRP HE3 1 18 ALA H 3.070 . 4.248 3.639 3.639 3.639 . 0 0 "[ ]" 1
185 1 17 TRP HE3 1 28 GLU HA 3.186 . 4.455 3.926 3.926 3.926 . 0 0 "[ ]" 1
186 1 17 TRP HE3 1 28 GLU HB3 2.388 . 3.101 2.216 2.216 2.216 . 0 0 "[ ]" 1
187 1 17 TRP HE3 1 28 GLU HG2 2.815 . 3.806 3.404 3.404 3.404 . 0 0 "[ ]" 1
188 1 17 TRP HE3 1 28 GLU HG3 3.321 . 4.700 4.738 4.738 4.738 0.038 1 0 "[ ]" 1
189 1 17 TRP HE3 1 29 VAL H 3.161 . 4.410 3.149 3.149 3.149 . 0 0 "[ ]" 1
190 1 17 TRP HE3 1 29 VAL HA 2.951 . 4.039 3.358 3.358 3.358 . 0 0 "[ ]" 1
191 1 17 TRP HE3 1 30 PRO HA 2.954 . 4.045 3.438 3.438 3.438 . 0 0 "[ ]" 1
192 1 17 TRP HH2 1 30 PRO HB3 3.119 . 4.335 3.622 3.622 3.622 . 0 0 "[ ]" 1
193 1 17 TRP HH2 1 30 PRO HD3 3.074 . 4.255 3.035 3.035 3.035 . 0 0 "[ ]" 1
194 1 17 TRP HH2 1 30 PRO HG3 3.406 . 4.856 3.714 3.714 3.714 . 0 0 "[ ]" 1
195 1 17 TRP HZ3 1 28 GLU HB3 3.008 . 4.139 3.652 3.652 3.652 . 0 0 "[ ]" 1
196 1 17 TRP HZ3 1 29 VAL HA 2.718 . 3.641 2.591 2.591 2.591 . 0 0 "[ ]" 1
197 1 17 TRP HZ3 1 30 PRO HD3 2.475 . 3.241 1.730 1.730 1.730 . 0 0 "[ ]" 1
198 1 18 ALA H 1 18 ALA MB 2.369 . 3.071 2.287 2.287 2.287 . 0 0 "[ ]" 1
199 1 18 ALA H 1 19 THR H 3.604 . 5.228 4.327 4.327 4.327 . 0 0 "[ ]" 1
200 1 18 ALA H 1 28 GLU HA 3.588 . 5.197 4.291 4.291 4.291 . 0 0 "[ ]" 1
201 1 18 ALA H 1 29 VAL H 2.733 . 3.667 3.032 3.032 3.032 . 0 0 "[ ]" 1
202 1 18 ALA H 1 31 ILE H 3.471 . 4.977 3.411 3.411 3.411 . 0 0 "[ ]" 1
203 1 18 ALA H 1 31 ILE HB 3.564 . 5.152 4.116 4.116 4.116 . 0 0 "[ ]" 1
204 1 18 ALA H 1 31 ILE HG13 3.277 . 4.619 3.554 3.554 3.554 . 0 0 "[ ]" 1
205 1 18 ALA HA 1 18 ALA MB 1.853 . 2.282 2.118 2.118 2.118 . 0 0 "[ ]" 1
206 1 18 ALA HA 1 19 THR H 2.165 . 2.751 2.086 2.086 2.086 . 0 0 "[ ]" 1
207 1 18 ALA HA 1 56 ARG H 3.289 . 4.641 4.639 4.639 4.639 . 0 0 "[ ]" 1
208 1 18 ALA HA 1 57 VAL H 3.432 . 4.904 4.390 4.390 4.390 . 0 0 "[ ]" 1
209 1 18 ALA HA 1 57 VAL HA 1.942 . 2.414 1.785 1.785 1.785 . 0 0 "[ ]" 1
210 1 18 ALA HA 1 57 VAL MG1 2.353 . 3.045 2.583 2.583 2.583 . 0 0 "[ ]" 1
211 1 18 ALA HA 1 57 VAL MG2 2.185 . 2.782 2.379 2.379 2.379 . 0 0 "[ ]" 1
212 1 18 ALA MB 1 19 THR H 2.513 . 3.302 3.249 3.249 3.249 . 0 0 "[ ]" 1
213 1 18 ALA MB 1 20 VAL MG2 2.463 . 3.221 2.967 2.967 2.967 . 0 0 "[ ]" 1
214 1 18 ALA MB 1 29 VAL H 3.110 . 4.319 3.392 3.392 3.392 . 0 0 "[ ]" 1
215 1 18 ALA MB 1 29 VAL HB 2.893 . 3.939 3.691 3.691 3.691 . 0 0 "[ ]" 1
216 1 18 ALA MB 1 31 ILE MD 2.052 . 2.578 2.599 2.599 2.599 0.021 1 0 "[ ]" 1
217 1 18 ALA MB 1 40 LEU HA 3.111 . 4.321 4.192 4.192 4.192 . 0 0 "[ ]" 1
218 1 18 ALA MB 1 43 ALA MB 2.010 . 2.515 1.902 1.902 1.902 . 0 0 "[ ]" 1
219 1 18 ALA MB 1 57 VAL HA 2.452 . 3.204 3.211 3.211 3.211 0.007 1 0 "[ ]" 1
220 1 18 ALA MB 1 57 VAL MG1 2.427 . 3.163 2.310 2.310 2.310 . 0 0 "[ ]" 1
221 1 18 ALA MB 1 57 VAL MG2 1.990 . 2.485 1.906 1.906 1.906 . 0 0 "[ ]" 1
222 1 18 ALA MB 1 58 ARG H 3.424 . 4.889 4.444 4.444 4.444 . 0 0 "[ ]" 1
223 1 19 THR H 1 19 THR HA 2.902 . 3.954 2.842 2.842 2.842 . 0 0 "[ ]" 1
224 1 19 THR H 1 19 THR HB 2.490 . 3.265 2.615 2.615 2.615 . 0 0 "[ ]" 1
225 1 19 THR H 1 19 THR MG 2.899 . 3.949 3.750 3.750 3.750 . 0 0 "[ ]" 1
226 1 19 THR H 1 20 VAL H 3.454 . 4.945 4.183 4.183 4.183 . 0 0 "[ ]" 1
227 1 19 THR H 1 55 THR H 3.444 . 4.927 4.716 4.716 4.716 . 0 0 "[ ]" 1
228 1 19 THR H 1 56 ARG H 2.547 . 3.358 3.277 3.277 3.277 . 0 0 "[ ]" 1
229 1 19 THR H 1 56 ARG HB2 3.016 . 4.153 2.844 2.844 2.844 . 0 0 "[ ]" 1
230 1 19 THR H 1 57 VAL H 3.624 . 5.265 4.327 4.327 4.327 . 0 0 "[ ]" 1
231 1 19 THR H 1 57 VAL HA 2.788 . 3.760 2.760 2.760 2.760 . 0 0 "[ ]" 1
232 1 19 THR HA 1 19 THR HB 2.540 . 3.346 3.027 3.027 3.027 . 0 0 "[ ]" 1
233 1 19 THR HA 1 19 THR MG 2.215 . 2.828 2.319 2.319 2.319 . 0 0 "[ ]" 1
234 1 19 THR HA 1 20 VAL H 2.313 . 2.982 2.203 2.203 2.203 . 0 0 "[ ]" 1
235 1 19 THR HA 1 28 GLU HG2 2.789 . 3.762 2.793 2.793 2.793 . 0 0 "[ ]" 1
236 1 19 THR HB 1 19 THR MG 1.847 . 2.274 2.130 2.130 2.130 . 0 0 "[ ]" 1
237 1 19 THR HB 1 20 VAL H 3.495 . 5.022 4.388 4.388 4.388 . 0 0 "[ ]" 1
238 1 19 THR HB 1 55 THR H 3.136 . 4.366 3.503 3.503 3.503 . 0 0 "[ ]" 1
239 1 19 THR HB 1 56 ARG H 2.201 . 2.807 2.457 2.457 2.457 . 0 0 "[ ]" 1
240 1 19 THR HB 1 56 ARG HB2 2.107 . 2.662 2.218 2.218 2.218 . 0 0 "[ ]" 1
241 1 19 THR HB 1 56 ARG QD 3.022 . 4.163 2.840 2.840 2.840 . 0 0 "[ ]" 1
242 1 19 THR HB 1 56 ARG HG2 2.526 . 3.323 3.572 3.572 3.572 0.249 1 0 "[ ]" 1
243 1 19 THR HB 1 56 ARG HG3 2.639 . 3.509 1.960 1.960 1.960 . 0 0 "[ ]" 1
244 1 19 THR MG 1 26 SER QB 2.407 . 3.131 2.140 2.140 2.140 . 0 0 "[ ]" 1
245 1 19 THR MG 1 27 PHE H 2.950 . 4.038 3.610 3.610 3.610 . 0 0 "[ ]" 1
246 1 19 THR MG 1 56 ARG QD 2.879 . 3.915 2.480 2.480 2.480 . 0 0 "[ ]" 1
247 1 20 VAL H 1 20 VAL HA 2.861 . 3.884 2.915 2.915 2.915 . 0 0 "[ ]" 1
248 1 20 VAL H 1 20 VAL HB 2.692 . 3.598 3.023 3.023 3.023 . 0 0 "[ ]" 1
249 1 20 VAL H 1 20 VAL MG1 3.195 . 4.471 3.725 3.725 3.725 . 0 0 "[ ]" 1
250 1 20 VAL H 1 20 VAL MG2 2.746 . 3.689 1.782 1.782 1.782 0.021 1 0 "[ ]" 1
251 1 20 VAL H 1 21 GLU H 3.463 . 4.962 4.256 4.256 4.256 . 0 0 "[ ]" 1
252 1 20 VAL H 1 28 GLU HA 2.999 . 4.123 2.588 2.588 2.588 . 0 0 "[ ]" 1
253 1 20 VAL HA 1 20 VAL HB 2.801 . 3.782 2.942 2.942 2.942 . 0 0 "[ ]" 1
254 1 20 VAL HA 1 21 GLU H 2.071 . 2.607 2.126 2.126 2.126 . 0 0 "[ ]" 1
255 1 20 VAL HB 1 20 VAL MG1 2.396 . 3.114 2.130 2.130 2.130 . 0 0 "[ ]" 1
256 1 20 VAL HB 1 20 VAL MG2 2.022 . 2.533 2.133 2.133 2.133 . 0 0 "[ ]" 1
257 1 20 VAL HB 1 27 PHE H 3.247 . 4.565 3.763 3.763 3.763 . 0 0 "[ ]" 1
258 1 20 VAL HB 1 27 PHE QD 3.120 . 4.337 4.395 4.395 4.395 0.058 1 0 "[ ]" 1
259 1 20 VAL HB 1 52 PHE HB2 2.933 . 4.008 2.241 2.241 2.241 . 0 0 "[ ]" 1
260 1 20 VAL HB 1 52 PHE HB3 2.589 . 3.427 3.267 3.267 3.267 . 0 0 "[ ]" 1
261 1 20 VAL HB 1 52 PHE QD 2.751 . 3.697 3.229 3.229 3.229 . 0 0 "[ ]" 1
262 1 20 VAL MG1 1 21 GLU H 2.748 . 3.692 3.219 3.219 3.219 . 0 0 "[ ]" 1
263 1 20 VAL MG1 1 43 ALA MB 3.226 . 4.527 4.160 4.160 4.160 . 0 0 "[ ]" 1
264 1 20 VAL MG1 1 47 TYR HB2 2.778 . 3.743 3.751 3.751 3.751 0.008 1 0 "[ ]" 1
265 1 20 VAL MG1 1 47 TYR HB3 2.908 . 3.965 2.718 2.718 2.718 . 0 0 "[ ]" 1
266 1 20 VAL MG1 1 47 TYR QD 2.648 . 3.524 2.462 2.462 2.462 . 0 0 "[ ]" 1
267 1 20 VAL MG1 1 47 TYR QE 2.994 . 4.114 4.140 4.140 4.140 0.026 1 0 "[ ]" 1
268 1 20 VAL MG1 1 52 PHE HB2 2.602 . 3.448 1.671 1.671 1.671 0.085 1 0 "[ ]" 1
269 1 20 VAL MG1 1 52 PHE HB3 2.419 . 3.150 2.700 2.700 2.700 . 0 0 "[ ]" 1
270 1 20 VAL MG1 1 52 PHE QD 2.691 . 3.596 3.092 3.092 3.092 . 0 0 "[ ]" 1
271 1 20 VAL MG1 1 53 GLU H 3.112 . 4.323 3.047 3.047 3.047 . 0 0 "[ ]" 1
272 1 20 VAL MG1 1 54 VAL HA 2.504 . 3.288 2.674 2.674 2.674 . 0 0 "[ ]" 1
273 1 20 VAL MG1 1 54 VAL MG1 2.885 . 3.926 3.219 3.219 3.219 . 0 0 "[ ]" 1
274 1 20 VAL MG2 1 21 GLU H 3.194 . 4.469 4.427 4.427 4.427 . 0 0 "[ ]" 1
275 1 20 VAL MG2 1 27 PHE H 3.126 . 4.348 4.257 4.257 4.257 . 0 0 "[ ]" 1
276 1 20 VAL MG2 1 27 PHE QD 2.743 . 3.684 3.701 3.701 3.701 0.017 1 0 "[ ]" 1
277 1 20 VAL MG2 1 28 GLU HA 3.045 . 4.204 2.664 2.664 2.664 . 0 0 "[ ]" 1
278 1 20 VAL MG2 1 29 VAL H 3.501 . 5.033 2.905 2.905 2.905 . 0 0 "[ ]" 1
279 1 20 VAL MG2 1 29 VAL MG2 2.494 . 3.272 2.070 2.070 2.070 . 0 0 "[ ]" 1
280 1 20 VAL MG2 1 43 ALA MB 3.187 . 4.457 3.820 3.820 3.820 . 0 0 "[ ]" 1
281 1 20 VAL MG2 1 47 TYR QD 2.806 . 3.790 1.926 1.926 1.926 . 0 0 "[ ]" 1
282 1 20 VAL MG2 1 47 TYR QE 2.788 . 3.760 2.390 2.390 2.390 . 0 0 "[ ]" 1
283 1 20 VAL MG2 1 52 PHE QD 2.937 . 4.015 4.026 4.026 4.026 0.011 1 0 "[ ]" 1
284 1 20 VAL MG2 1 54 VAL HA 2.789 . 3.762 3.502 3.502 3.502 . 0 0 "[ ]" 1
285 1 21 GLU H 1 21 GLU HB2 2.600 . 3.445 2.647 2.647 2.647 . 0 0 "[ ]" 1
286 1 21 GLU H 1 52 PHE HB2 3.296 . 4.654 4.046 4.046 4.046 . 0 0 "[ ]" 1
287 1 21 GLU H 1 52 PHE HB3 2.935 . 4.012 3.369 3.369 3.369 . 0 0 "[ ]" 1
288 1 21 GLU H 1 53 GLU H 2.498 . 3.278 3.119 3.119 3.119 . 0 0 "[ ]" 1
289 1 21 GLU H 1 55 THR H 3.007 . 4.138 2.849 2.849 2.849 . 0 0 "[ ]" 1
290 1 21 GLU H 1 55 THR MG 2.933 . 4.008 2.759 2.759 2.759 . 0 0 "[ ]" 1
291 1 21 GLU HA 1 21 GLU HB2 2.249 . 2.881 2.604 2.604 2.604 . 0 0 "[ ]" 1
292 1 21 GLU HA 1 21 GLU HB3 2.272 . 2.917 2.989 2.989 2.989 0.072 1 0 "[ ]" 1
293 1 21 GLU HA 1 21 GLU HG3 2.098 . 2.648 2.386 2.386 2.386 . 0 0 "[ ]" 1
294 1 21 GLU HA 1 22 SER H 2.013 . 2.520 2.212 2.212 2.212 . 0 0 "[ ]" 1
295 1 21 GLU HA 1 26 SER QB 2.417 . 3.147 2.918 2.918 2.918 . 0 0 "[ ]" 1
296 1 21 GLU HA 1 52 PHE QD 2.864 . 3.889 3.932 3.932 3.932 0.043 1 0 "[ ]" 1
297 1 21 GLU HA 1 53 GLU H 3.636 . 5.288 4.493 4.493 4.493 . 0 0 "[ ]" 1
298 1 21 GLU HB2 1 26 SER QB 2.699 . 3.610 3.028 3.028 3.028 . 0 0 "[ ]" 1
299 1 21 GLU HB2 1 55 THR HB 2.771 . 3.731 3.928 3.928 3.928 0.197 1 0 "[ ]" 1
300 1 21 GLU HB2 1 55 THR MG 2.011 . 2.516 2.600 2.600 2.600 0.084 1 0 "[ ]" 1
301 1 21 GLU HB3 1 26 SER QB 2.867 . 3.895 4.050 4.050 4.050 0.155 1 0 "[ ]" 1
302 1 21 GLU HB3 1 55 THR MG 2.480 . 3.249 1.905 1.905 1.905 . 0 0 "[ ]" 1
303 1 21 GLU HG3 1 26 SER QB 2.109 . 2.665 1.506 1.506 1.506 0.047 1 0 "[ ]" 1
304 1 22 SER H 1 22 SER HA 2.716 . 3.638 2.932 2.932 2.932 . 0 0 "[ ]" 1
305 1 22 SER H 1 22 SER HB2 3.505 . 5.040 3.861 3.861 3.861 . 0 0 "[ ]" 1
306 1 22 SER H 1 22 SER HB3 3.286 . 4.636 3.170 3.170 3.170 . 0 0 "[ ]" 1
307 1 22 SER H 1 25 HIS H 2.791 . 3.765 3.407 3.407 3.407 . 0 0 "[ ]" 1
308 1 22 SER H 1 26 SER QB 3.214 . 4.505 3.810 3.810 3.810 . 0 0 "[ ]" 1
309 1 22 SER H 1 52 PHE QD 3.200 . 4.480 3.166 3.166 3.166 . 0 0 "[ ]" 1
310 1 22 SER HA 1 22 SER HB2 2.355 . 3.048 2.434 2.434 2.434 . 0 0 "[ ]" 1
311 1 22 SER HA 1 22 SER HB3 2.009 . 2.514 2.503 2.503 2.503 . 0 0 "[ ]" 1
312 1 22 SER HA 1 53 GLU H 3.380 . 4.808 3.733 3.733 3.733 . 0 0 "[ ]" 1
313 1 22 SER HA 1 53 GLU HB3 3.010 . 4.143 4.216 4.216 4.216 0.073 1 0 "[ ]" 1
314 1 22 SER HB2 1 52 PHE QD 3.003 . 4.130 3.438 3.438 3.438 . 0 0 "[ ]" 1
315 1 22 SER HB3 1 52 PHE QD 2.833 . 3.836 1.816 1.816 1.816 0.014 1 0 "[ ]" 1
316 1 23 SER HA 1 24 GLU H 3.633 . 5.283 3.535 3.535 3.535 . 0 0 "[ ]" 1
317 1 23 SER QB 1 24 GLU HG3 2.482 . 3.252 2.843 2.843 2.843 . 0 0 "[ ]" 1
318 1 24 GLU H 1 24 GLU HB3 3.228 . 4.530 3.613 3.613 3.613 . 0 0 "[ ]" 1
319 1 24 GLU H 1 25 HIS H 2.872 . 3.903 2.493 2.493 2.493 . 0 0 "[ ]" 1
320 1 24 GLU HA 1 24 GLU HB3 2.008 . 2.512 2.335 2.335 2.335 . 0 0 "[ ]" 1
321 1 24 GLU HA 1 24 GLU HG2 2.654 . 3.535 3.597 3.597 3.597 0.062 1 0 "[ ]" 1
322 1 24 GLU HA 1 24 GLU HG3 2.201 . 2.807 2.662 2.662 2.662 . 0 0 "[ ]" 1
323 1 24 GLU HA 1 25 HIS H 2.828 . 3.828 3.540 3.540 3.540 . 0 0 "[ ]" 1
324 1 24 GLU HB2 1 25 HIS HD2 3.056 . 4.223 1.874 1.874 1.874 0.015 1 0 "[ ]" 1
325 1 24 GLU HB3 1 25 HIS H 2.854 . 3.872 3.894 3.894 3.894 0.022 1 0 "[ ]" 1
326 1 24 GLU HB3 1 25 HIS HD2 2.823 . 3.819 3.577 3.577 3.577 . 0 0 "[ ]" 1
327 1 24 GLU HG3 1 25 HIS HD2 3.337 . 4.729 4.427 4.427 4.427 . 0 0 "[ ]" 1
328 1 25 HIS H 1 25 HIS HA 2.667 . 3.556 2.890 2.890 2.890 . 0 0 "[ ]" 1
329 1 25 HIS H 1 25 HIS HB2 2.925 . 3.994 3.932 3.932 3.932 . 0 0 "[ ]" 1
330 1 25 HIS H 1 25 HIS HB3 2.692 . 3.598 3.550 3.550 3.550 . 0 0 "[ ]" 1
331 1 25 HIS H 1 25 HIS HD2 3.618 . 5.255 1.946 1.946 1.946 0.035 1 0 "[ ]" 1
332 1 25 HIS HA 1 25 HIS HB2 2.115 . 2.674 2.537 2.537 2.537 . 0 0 "[ ]" 1
333 1 25 HIS HA 1 25 HIS HB3 2.179 . 2.772 2.384 2.384 2.384 . 0 0 "[ ]" 1
334 1 25 HIS HA 1 25 HIS HD2 3.213 . 4.503 4.032 4.032 4.032 . 0 0 "[ ]" 1
335 1 25 HIS HA 1 26 SER H 2.242 . 2.870 2.212 2.212 2.212 . 0 0 "[ ]" 1
336 1 25 HIS HB2 1 25 HIS HD2 2.983 . 4.095 3.915 3.915 3.915 . 0 0 "[ ]" 1
337 1 25 HIS HB2 1 26 SER H 2.869 . 3.898 2.849 2.849 2.849 . 0 0 "[ ]" 1
338 1 25 HIS HB2 1 27 PHE QD 2.723 . 3.650 3.768 3.768 3.768 0.118 1 0 "[ ]" 1
339 1 25 HIS HB3 1 25 HIS HD2 2.760 . 3.712 3.440 3.440 3.440 . 0 0 "[ ]" 1
340 1 26 SER H 1 26 SER HA 2.862 . 3.886 2.931 2.931 2.931 . 0 0 "[ ]" 1
341 1 26 SER H 1 26 SER QB 2.598 . 3.442 2.874 2.874 2.874 . 0 0 "[ ]" 1
342 1 26 SER H 1 27 PHE H 3.433 . 4.906 4.387 4.387 4.387 . 0 0 "[ ]" 1
343 1 26 SER H 1 27 PHE QD 3.542 . 5.110 5.137 5.137 5.137 0.027 1 0 "[ ]" 1
344 1 26 SER HA 1 27 PHE H 2.073 . 2.610 2.141 2.141 2.141 . 0 0 "[ ]" 1
345 1 26 SER QB 1 27 PHE H 2.624 . 3.485 3.213 3.213 3.213 . 0 0 "[ ]" 1
346 1 27 PHE H 1 27 PHE HA 2.677 . 3.573 2.923 2.923 2.923 . 0 0 "[ ]" 1
347 1 27 PHE H 1 27 PHE HB2 3.129 . 4.353 2.377 2.377 2.377 . 0 0 "[ ]" 1
348 1 27 PHE H 1 27 PHE HB3 3.107 . 4.314 3.023 3.023 3.023 . 0 0 "[ ]" 1
349 1 27 PHE H 1 27 PHE QD 2.905 . 3.960 3.967 3.967 3.967 0.007 1 0 "[ ]" 1
350 1 27 PHE HA 1 27 PHE HB2 2.085 . 2.628 2.716 2.716 2.716 0.088 1 0 "[ ]" 1
351 1 27 PHE HA 1 27 PHE HB3 2.051 . 2.577 2.875 2.875 2.875 0.298 1 0 "[ ]" 1
352 1 27 PHE HA 1 27 PHE QD 2.887 . 3.929 2.459 2.459 2.459 . 0 0 "[ ]" 1
353 1 27 PHE HA 1 28 GLU H 2.170 . 2.759 2.493 2.493 2.493 . 0 0 "[ ]" 1
354 1 27 PHE HB2 1 27 PHE QD 2.323 . 2.997 2.608 2.608 2.608 . 0 0 "[ ]" 1
355 1 27 PHE HB2 1 28 GLU H 2.627 . 3.490 3.740 3.740 3.740 0.250 1 0 "[ ]" 1
356 1 27 PHE HB3 1 27 PHE QD 2.279 . 2.928 2.251 2.251 2.251 . 0 0 "[ ]" 1
357 1 27 PHE HB3 1 28 GLU H 2.422 . 3.155 2.581 2.581 2.581 . 0 0 "[ ]" 1
358 1 27 PHE HB3 1 29 VAL MG2 3.176 . 4.437 3.365 3.365 3.365 . 0 0 "[ ]" 1
359 1 27 PHE QD 1 28 GLU H 3.071 . 4.250 2.632 2.632 2.632 . 0 0 "[ ]" 1
360 1 27 PHE QD 1 28 GLU HA 3.182 . 4.447 4.439 4.439 4.439 . 0 0 "[ ]" 1
361 1 27 PHE QD 1 50 ALA MB 3.596 . 5.212 5.248 5.248 5.248 0.036 1 0 "[ ]" 1
362 1 28 GLU H 1 28 GLU HA 2.810 . 3.797 2.880 2.880 2.880 . 0 0 "[ ]" 1
363 1 28 GLU H 1 28 GLU HB2 2.508 . 3.294 2.842 2.842 2.842 . 0 0 "[ ]" 1
364 1 28 GLU H 1 29 VAL H 3.512 . 5.054 4.144 4.144 4.144 . 0 0 "[ ]" 1
365 1 28 GLU H 1 29 VAL MG2 3.399 . 4.843 3.559 3.559 3.559 . 0 0 "[ ]" 1
366 1 28 GLU HA 1 28 GLU HB2 2.285 . 2.938 2.919 2.919 2.919 . 0 0 "[ ]" 1
367 1 28 GLU HA 1 28 GLU HG2 2.245 . 2.875 2.546 2.546 2.546 . 0 0 "[ ]" 1
368 1 28 GLU HA 1 28 GLU HG3 2.711 . 3.630 2.377 2.377 2.377 . 0 0 "[ ]" 1
369 1 28 GLU HA 1 29 VAL H 2.267 . 2.909 2.097 2.097 2.097 . 0 0 "[ ]" 1
370 1 28 GLU HA 1 29 VAL MG2 2.539 . 3.345 3.353 3.353 3.353 0.008 1 0 "[ ]" 1
371 1 28 GLU HG3 1 29 VAL H 2.973 . 4.078 4.151 4.151 4.151 0.073 1 0 "[ ]" 1
372 1 29 VAL H 1 29 VAL MG2 2.869 . 3.898 2.635 2.635 2.635 . 0 0 "[ ]" 1
373 1 29 VAL H 1 30 PRO HD2 3.519 . 5.067 4.803 4.803 4.803 . 0 0 "[ ]" 1
374 1 29 VAL HA 1 30 PRO HD2 1.953 . 2.430 2.187 2.187 2.187 . 0 0 "[ ]" 1
375 1 29 VAL HA 1 30 PRO HG2 3.120 . 4.337 4.345 4.345 4.345 0.008 1 0 "[ ]" 1
376 1 29 VAL HA 1 30 PRO HG3 3.197 . 4.475 4.423 4.423 4.423 . 0 0 "[ ]" 1
377 1 29 VAL HB 1 31 ILE MD 2.947 . 4.033 4.120 4.120 4.120 0.087 1 0 "[ ]" 1
378 1 29 VAL HB 1 47 TYR QE 2.869 . 3.898 1.844 1.844 1.844 . 0 0 "[ ]" 1
379 1 29 VAL HB 1 50 ALA MB 3.458 . 4.953 5.036 5.036 5.036 0.083 1 0 "[ ]" 1
380 1 29 VAL MG2 1 47 TYR QE 2.335 . 3.017 2.795 2.795 2.795 . 0 0 "[ ]" 1
381 1 30 PRO HA 1 30 PRO HB3 2.922 . 3.989 2.273 2.273 2.273 . 0 0 "[ ]" 1
382 1 30 PRO HA 1 31 ILE H 2.252 . 2.886 2.131 2.131 2.131 . 0 0 "[ ]" 1
383 1 30 PRO HB2 1 30 PRO HD3 2.848 . 3.862 3.896 3.896 3.896 0.034 1 0 "[ ]" 1
384 1 30 PRO HB2 1 30 PRO HG3 2.650 . 3.528 2.669 2.669 2.669 . 0 0 "[ ]" 1
385 1 30 PRO HB2 1 32 TYR QD 3.373 . 4.795 3.544 3.544 3.544 . 0 0 "[ ]" 1
386 1 30 PRO HB2 1 32 TYR QE 2.677 . 3.573 2.261 2.261 2.261 . 0 0 "[ ]" 1
387 1 30 PRO HB3 1 30 PRO HD3 2.484 . 3.256 2.974 2.974 2.974 . 0 0 "[ ]" 1
388 1 30 PRO HB3 1 30 PRO HG2 2.898 . 3.948 2.987 2.987 2.987 . 0 0 "[ ]" 1
389 1 31 ILE H 1 31 ILE HA 2.832 . 3.834 2.921 2.921 2.921 . 0 0 "[ ]" 1
390 1 31 ILE H 1 31 ILE HB 2.517 . 3.309 2.438 2.438 2.438 . 0 0 "[ ]" 1
391 1 31 ILE H 1 31 ILE HG13 2.887 . 3.929 3.763 3.763 3.763 . 0 0 "[ ]" 1
392 1 31 ILE H 1 32 TYR H 3.600 . 5.220 4.546 4.546 4.546 . 0 0 "[ ]" 1
393 1 31 ILE HA 1 31 ILE HB 2.582 . 3.416 3.028 3.028 3.028 . 0 0 "[ ]" 1
394 1 31 ILE HA 1 31 ILE MD 2.067 . 2.601 2.106 2.106 2.106 . 0 0 "[ ]" 1
395 1 31 ILE HA 1 31 ILE HG12 3.001 . 4.126 2.890 2.890 2.890 . 0 0 "[ ]" 1
396 1 31 ILE HA 1 31 ILE HG13 2.698 . 3.608 3.754 3.754 3.754 0.146 1 0 "[ ]" 1
397 1 31 ILE HA 1 31 ILE MG 2.209 . 2.819 2.447 2.447 2.447 . 0 0 "[ ]" 1
398 1 31 ILE HA 1 32 TYR H 2.322 . 2.996 2.254 2.254 2.254 . 0 0 "[ ]" 1
399 1 31 ILE HA 1 32 TYR QD 2.876 . 3.910 3.957 3.957 3.957 0.047 1 0 "[ ]" 1
400 1 31 ILE HA 1 42 LEU HG 3.043 . 4.201 4.271 4.271 4.271 0.070 1 0 "[ ]" 1
401 1 31 ILE HB 1 31 ILE HG12 2.303 . 2.966 2.530 2.530 2.530 . 0 0 "[ ]" 1
402 1 31 ILE HB 1 32 TYR H 3.548 . 5.121 4.047 4.047 4.047 . 0 0 "[ ]" 1
403 1 31 ILE HB 1 39 ALA MB 2.352 . 3.043 2.802 2.802 2.802 . 0 0 "[ ]" 1
404 1 31 ILE HB 1 57 VAL MG1 2.622 . 3.481 3.222 3.222 3.222 . 0 0 "[ ]" 1
405 1 31 ILE MD 1 32 TYR H 3.147 . 4.385 3.538 3.538 3.538 . 0 0 "[ ]" 1
406 1 31 ILE MD 1 39 ALA HA 3.022 . 4.164 3.713 3.713 3.713 . 0 0 "[ ]" 1
407 1 31 ILE MD 1 43 ALA HA 2.145 . 2.720 2.048 2.048 2.048 . 0 0 "[ ]" 1
408 1 31 ILE MD 1 47 TYR QD 2.717 . 3.640 3.444 3.444 3.444 . 0 0 "[ ]" 1
409 1 31 ILE MD 1 47 TYR QE 1.996 . 2.494 2.417 2.417 2.417 . 0 0 "[ ]" 1
410 1 31 ILE HG12 1 43 ALA H 3.370 . 4.789 4.923 4.923 4.923 0.134 1 0 "[ ]" 1
411 1 31 ILE MG 1 32 TYR H 2.626 . 3.488 2.379 2.379 2.379 . 0 0 "[ ]" 1
412 1 31 ILE MG 1 39 ALA HA 2.070 . 2.606 1.738 1.738 1.738 . 0 0 "[ ]" 1
413 1 31 ILE MG 1 39 ALA MB 2.218 . 2.833 2.039 2.039 2.039 . 0 0 "[ ]" 1
414 1 32 TYR H 1 32 TYR HA 2.976 . 4.083 2.934 2.934 2.934 . 0 0 "[ ]" 1
415 1 32 TYR H 1 32 TYR QB 2.527 . 3.325 2.564 2.564 2.564 . 0 0 "[ ]" 1
416 1 32 TYR H 1 32 TYR QD 2.904 . 3.958 3.274 3.274 3.274 . 0 0 "[ ]" 1
417 1 32 TYR HA 1 32 TYR QB 2.356 . 3.050 2.427 2.427 2.427 . 0 0 "[ ]" 1
418 1 32 TYR HA 1 32 TYR QD 2.436 . 3.178 2.751 2.751 2.751 . 0 0 "[ ]" 1
419 1 32 TYR HA 1 33 ALA H 2.287 . 2.941 2.070 2.070 2.070 . 0 0 "[ ]" 1
420 1 32 TYR HA 1 33 ALA MB 2.875 . 3.908 3.944 3.944 3.944 0.036 1 0 "[ ]" 1
421 1 32 TYR QB 1 32 TYR QD 2.222 . 2.839 2.139 2.139 2.139 . 0 0 "[ ]" 1
422 1 32 TYR QB 1 32 TYR QE 2.973 . 4.078 3.938 3.938 3.938 . 0 0 "[ ]" 1
423 1 32 TYR QB 1 33 ALA H 2.862 . 3.886 3.385 3.385 3.385 . 0 0 "[ ]" 1
424 1 33 ALA H 1 33 ALA HA 2.806 . 3.790 2.910 2.910 2.910 . 0 0 "[ ]" 1
425 1 33 ALA H 1 33 ALA MB 2.757 . 3.707 2.661 2.661 2.661 . 0 0 "[ ]" 1
426 1 33 ALA H 1 39 ALA MB 3.517 . 5.064 4.022 4.022 4.022 . 0 0 "[ ]" 1
427 1 33 ALA HA 1 33 ALA MB 1.892 . 2.340 2.137 2.137 2.137 . 0 0 "[ ]" 1
428 1 33 ALA HA 1 34 GLU H 2.514 . 3.304 2.682 2.682 2.682 . 0 0 "[ ]" 1
429 1 33 ALA HA 1 42 LEU MD2 2.726 . 3.655 3.720 3.720 3.720 0.065 1 0 "[ ]" 1
430 1 33 ALA MB 1 34 GLU H 2.547 . 3.358 2.092 2.092 2.092 . 0 0 "[ ]" 1
431 1 33 ALA MB 1 38 GLU HA 2.779 . 3.745 3.913 3.913 3.913 0.168 1 0 "[ ]" 1
432 1 33 ALA MB 1 38 GLU HB3 2.029 . 2.543 1.999 1.999 1.999 . 0 0 "[ ]" 1
433 1 33 ALA MB 1 38 GLU HG2 2.485 . 3.257 1.574 1.574 1.574 0.139 1 0 "[ ]" 1
434 1 33 ALA MB 1 38 GLU HG3 2.167 . 2.754 3.053 3.053 3.053 0.299 1 0 "[ ]" 1
435 1 33 ALA MB 1 39 ALA H 2.422 . 3.155 2.591 2.591 2.591 . 0 0 "[ ]" 1
436 1 33 ALA MB 1 39 ALA HA 2.010 . 2.515 2.326 2.326 2.326 . 0 0 "[ ]" 1
437 1 33 ALA MB 1 39 ALA MB 1.905 . 2.359 2.235 2.235 2.235 . 0 0 "[ ]" 1
438 1 33 ALA MB 1 40 LEU H 3.479 . 4.992 4.481 4.481 4.481 . 0 0 "[ ]" 1
439 1 33 ALA MB 1 42 LEU MD2 2.083 . 2.625 2.600 2.600 2.600 . 0 0 "[ ]" 1
440 1 34 GLU H 1 34 GLU QB 2.405 . 3.128 2.353 2.353 2.353 . 0 0 "[ ]" 1
441 1 34 GLU H 1 35 THR H 2.433 . 3.173 2.458 2.458 2.458 . 0 0 "[ ]" 1
442 1 34 GLU H 1 38 GLU HB3 3.284 . 4.632 2.893 2.893 2.893 . 0 0 "[ ]" 1
443 1 34 GLU HA 1 34 GLU HG2 2.703 . 3.616 3.179 3.179 3.179 . 0 0 "[ ]" 1
444 1 34 GLU HA 1 34 GLU HG3 2.419 . 3.150 2.463 2.463 2.463 . 0 0 "[ ]" 1
445 1 34 GLU QB 1 35 THR H 2.381 . 3.090 2.224 2.224 2.224 . 0 0 "[ ]" 1
446 1 34 GLU QB 1 35 THR MG 2.100 . 2.651 2.702 2.702 2.702 0.051 1 0 "[ ]" 1
447 1 34 GLU HG2 1 35 THR H 3.298 . 4.657 3.458 3.458 3.458 . 0 0 "[ ]" 1
448 1 34 GLU HG2 1 35 THR MG 2.591 . 3.430 2.458 2.458 2.458 . 0 0 "[ ]" 1
449 1 35 THR H 1 35 THR HA 2.608 . 3.458 2.928 2.928 2.928 . 0 0 "[ ]" 1
450 1 35 THR H 1 35 THR HB 2.798 . 3.776 3.680 3.680 3.680 . 0 0 "[ ]" 1
451 1 35 THR H 1 36 LEU H 3.504 . 5.039 4.451 4.451 4.451 . 0 0 "[ ]" 1
452 1 35 THR H 1 38 GLU H 3.027 . 4.173 3.661 3.661 3.661 . 0 0 "[ ]" 1
453 1 35 THR H 1 38 GLU HA 3.541 . 5.108 5.080 5.080 5.080 . 0 0 "[ ]" 1
454 1 35 THR H 1 38 GLU HB3 2.381 . 3.090 2.348 2.348 2.348 . 0 0 "[ ]" 1
455 1 35 THR H 1 39 ALA H 3.076 . 4.258 4.079 4.079 4.079 . 0 0 "[ ]" 1
456 1 35 THR H 1 39 ALA MB 3.384 . 4.816 4.838 4.838 4.838 0.022 1 0 "[ ]" 1
457 1 35 THR HA 1 35 THR MG 2.037 . 2.556 2.361 2.361 2.361 . 0 0 "[ ]" 1
458 1 35 THR HA 1 36 LEU H 2.276 . 2.923 2.629 2.629 2.629 . 0 0 "[ ]" 1
459 1 35 THR HA 1 36 LEU HB2 3.144 . 4.380 4.432 4.432 4.432 0.052 1 0 "[ ]" 1
460 1 35 THR HB 1 35 THR MG 1.786 . 2.185 2.133 2.133 2.133 . 0 0 "[ ]" 1
461 1 35 THR HB 1 36 LEU H 2.440 . 3.184 1.988 1.988 1.988 . 0 0 "[ ]" 1
462 1 35 THR HB 1 37 ASP H 2.492 . 3.269 2.679 2.679 2.679 . 0 0 "[ ]" 1
463 1 35 THR HB 1 37 ASP HB2 3.356 . 4.764 4.141 4.141 4.141 . 0 0 "[ ]" 1
464 1 35 THR HB 1 37 ASP HB3 3.243 . 4.558 3.686 3.686 3.686 . 0 0 "[ ]" 1
465 1 35 THR HB 1 38 GLU H 3.105 . 4.310 3.466 3.466 3.466 . 0 0 "[ ]" 1
466 1 35 THR HB 1 39 ALA H 3.590 . 5.201 5.113 5.113 5.113 . 0 0 "[ ]" 1
467 1 35 THR MG 1 36 LEU H 2.702 . 3.614 3.545 3.545 3.545 . 0 0 "[ ]" 1
468 1 35 THR MG 1 37 ASP H 3.036 . 4.188 4.228 4.228 4.228 0.040 1 0 "[ ]" 1
469 1 36 LEU H 1 36 LEU HA 2.674 . 3.568 2.903 2.903 2.903 . 0 0 "[ ]" 1
470 1 36 LEU H 1 37 ASP H 2.746 . 3.688 2.165 2.165 2.165 . 0 0 "[ ]" 1
471 1 36 LEU H 1 37 ASP HB2 3.014 . 4.149 4.324 4.324 4.324 0.175 1 0 "[ ]" 1
472 1 36 LEU HA 1 36 LEU HB2 1.985 . 2.478 2.505 2.505 2.505 0.027 1 0 "[ ]" 1
473 1 36 LEU HA 1 36 LEU MD2 2.113 . 2.671 1.898 1.898 1.898 . 0 0 "[ ]" 1
474 1 36 LEU HA 1 39 ALA H 2.800 . 3.780 3.202 3.202 3.202 . 0 0 "[ ]" 1
475 1 36 LEU HA 1 39 ALA MB 2.218 . 2.833 2.326 2.326 2.326 . 0 0 "[ ]" 1
476 1 36 LEU HB3 1 37 ASP H 2.271 . 2.916 2.769 2.769 2.769 . 0 0 "[ ]" 1
477 1 36 LEU MD1 1 36 LEU HG 2.389 . 3.102 2.125 2.125 2.125 . 0 0 "[ ]" 1
478 1 36 LEU MD2 1 38 GLU H 3.487 . 5.007 5.089 5.089 5.089 0.082 1 0 "[ ]" 1
479 1 36 LEU MD2 1 57 VAL HB 2.219 . 2.834 2.768 2.768 2.768 . 0 0 "[ ]" 1
480 1 36 LEU MD2 1 58 ARG HA 2.300 . 2.961 2.832 2.832 2.832 . 0 0 "[ ]" 1
481 1 36 LEU MD2 1 59 PRO QD 2.253 . 2.887 2.937 2.937 2.937 0.050 1 0 "[ ]" 1
482 1 36 LEU MD2 1 59 PRO QG 2.414 . 3.142 2.494 2.494 2.494 . 0 0 "[ ]" 1
483 1 37 ASP H 1 37 ASP HA 2.416 . 3.145 2.826 2.826 2.826 . 0 0 "[ ]" 1
484 1 37 ASP H 1 37 ASP HB2 2.543 . 3.351 2.394 2.394 2.394 . 0 0 "[ ]" 1
485 1 37 ASP H 1 37 ASP HB3 2.343 . 3.029 2.550 2.550 2.550 . 0 0 "[ ]" 1
486 1 37 ASP H 1 38 GLU H 2.498 . 3.278 2.523 2.523 2.523 . 0 0 "[ ]" 1
487 1 37 ASP H 1 38 GLU HB2 3.385 . 4.817 4.881 4.881 4.881 0.064 1 0 "[ ]" 1
488 1 37 ASP H 1 39 ALA H 3.296 . 4.654 4.059 4.059 4.059 . 0 0 "[ ]" 1
489 1 37 ASP H 1 40 LEU H 3.250 . 4.571 4.455 4.455 4.455 . 0 0 "[ ]" 1
490 1 37 ASP HA 1 37 ASP HB2 2.116 . 2.676 2.510 2.510 2.510 . 0 0 "[ ]" 1
491 1 37 ASP HA 1 37 ASP HB3 2.282 . 2.933 3.015 3.015 3.015 0.082 1 0 "[ ]" 1
492 1 37 ASP HA 1 38 GLU H 2.917 . 3.980 3.495 3.495 3.495 . 0 0 "[ ]" 1
493 1 37 ASP HA 1 39 ALA H 3.313 . 4.685 4.602 4.602 4.602 . 0 0 "[ ]" 1
494 1 37 ASP HA 1 40 LEU H 2.836 . 3.842 3.374 3.374 3.374 . 0 0 "[ ]" 1
495 1 37 ASP HA 1 40 LEU HB2 2.731 . 3.663 2.378 2.378 2.378 . 0 0 "[ ]" 1
496 1 37 ASP HA 1 40 LEU HB3 2.389 . 3.102 3.177 3.177 3.177 0.075 1 0 "[ ]" 1
497 1 37 ASP HA 1 40 LEU QD 2.760 . 3.712 2.819 2.819 2.819 . 0 0 "[ ]" 1
498 1 37 ASP HB2 1 38 GLU H 2.773 . 3.734 3.737 3.737 3.737 0.003 1 0 "[ ]" 1
499 1 37 ASP HB3 1 38 GLU H 2.590 . 3.429 2.541 2.541 2.541 . 0 0 "[ ]" 1
500 1 38 GLU H 1 38 GLU HA 2.522 . 3.317 2.830 2.830 2.830 . 0 0 "[ ]" 1
501 1 38 GLU H 1 38 GLU HB2 2.255 . 2.891 2.522 2.522 2.522 . 0 0 "[ ]" 1
502 1 38 GLU H 1 39 ALA H 2.315 . 2.985 2.582 2.582 2.582 . 0 0 "[ ]" 1
503 1 38 GLU H 1 39 ALA MB 3.153 . 4.396 4.173 4.173 4.173 . 0 0 "[ ]" 1
504 1 38 GLU HA 1 38 GLU HG3 2.117 . 2.677 2.418 2.418 2.418 . 0 0 "[ ]" 1
505 1 38 GLU HA 1 39 ALA H 2.895 . 3.943 3.495 3.495 3.495 . 0 0 "[ ]" 1
506 1 38 GLU HG3 1 39 ALA H 3.036 . 4.188 4.410 4.410 4.410 0.222 1 0 "[ ]" 1
507 1 38 GLU HG3 1 42 LEU MD2 2.337 . 3.020 3.024 3.024 3.024 0.004 1 0 "[ ]" 1
508 1 39 ALA H 1 39 ALA HA 2.409 . 3.134 2.784 2.784 2.784 . 0 0 "[ ]" 1
509 1 39 ALA H 1 39 ALA MB 2.074 . 2.612 2.215 2.215 2.215 . 0 0 "[ ]" 1
510 1 39 ALA H 1 40 LEU HB2 3.102 . 4.305 4.376 4.376 4.376 0.071 1 0 "[ ]" 1
511 1 39 ALA H 1 41 GLU H 3.317 . 4.692 4.400 4.400 4.400 . 0 0 "[ ]" 1
512 1 39 ALA H 1 42 LEU H 3.472 . 4.979 4.591 4.591 4.591 . 0 0 "[ ]" 1
513 1 39 ALA HA 1 39 ALA MB 1.961 . 2.442 2.128 2.128 2.128 . 0 0 "[ ]" 1
514 1 39 ALA HA 1 40 LEU H 3.071 . 4.250 3.488 3.488 3.488 . 0 0 "[ ]" 1
515 1 39 ALA HA 1 42 LEU H 2.985 . 4.099 3.520 3.520 3.520 . 0 0 "[ ]" 1
516 1 39 ALA HA 1 42 LEU HB2 2.540 . 3.346 2.306 2.306 2.306 . 0 0 "[ ]" 1
517 1 39 ALA HA 1 42 LEU HB3 2.810 . 3.797 3.058 3.058 3.058 . 0 0 "[ ]" 1
518 1 39 ALA HA 1 42 LEU HG 2.819 . 3.812 3.607 3.607 3.607 . 0 0 "[ ]" 1
519 1 39 ALA HA 1 43 ALA H 3.449 . 4.936 4.094 4.094 4.094 . 0 0 "[ ]" 1
520 1 39 ALA MB 1 40 LEU H 2.369 . 3.070 2.511 2.511 2.511 . 0 0 "[ ]" 1
521 1 39 ALA MB 1 40 LEU HA 3.121 . 4.339 3.771 3.771 3.771 . 0 0 "[ ]" 1
522 1 40 LEU H 1 40 LEU HA 2.434 . 3.174 2.801 2.801 2.801 . 0 0 "[ ]" 1
523 1 40 LEU H 1 40 LEU HB2 2.150 . 2.728 1.979 1.979 1.979 . 0 0 "[ ]" 1
524 1 40 LEU H 1 41 GLU H 2.376 . 3.082 2.760 2.760 2.760 . 0 0 "[ ]" 1
525 1 40 LEU H 1 41 GLU HG2 3.579 . 5.180 4.451 4.451 4.451 . 0 0 "[ ]" 1
526 1 40 LEU H 1 42 LEU H 3.278 . 4.621 3.856 3.856 3.856 . 0 0 "[ ]" 1
527 1 40 LEU H 1 43 ALA H 3.618 . 5.254 4.778 4.778 4.778 . 0 0 "[ ]" 1
528 1 40 LEU HA 1 40 LEU HB2 2.278 . 2.927 2.787 2.787 2.787 . 0 0 "[ ]" 1
529 1 40 LEU HA 1 40 LEU HB3 2.444 . 3.191 2.902 2.902 2.902 . 0 0 "[ ]" 1
530 1 40 LEU HA 1 40 LEU HG 2.456 . 3.210 2.428 2.428 2.428 . 0 0 "[ ]" 1
531 1 40 LEU HA 1 43 ALA H 3.057 . 4.225 3.650 3.650 3.650 . 0 0 "[ ]" 1
532 1 40 LEU HA 1 57 VAL MG1 2.452 . 3.203 2.840 2.840 2.840 . 0 0 "[ ]" 1
533 1 40 LEU HA 1 57 VAL MG2 2.070 . 2.605 1.530 1.530 1.530 0.005 1 0 "[ ]" 1
534 1 40 LEU HB2 1 40 LEU QD 2.017 . 2.525 2.213 2.213 2.213 . 0 0 "[ ]" 1
535 1 40 LEU HB2 1 41 GLU H 2.513 . 3.303 3.161 3.161 3.161 . 0 0 "[ ]" 1
536 1 40 LEU HB3 1 40 LEU QD 2.140 . 2.713 2.113 2.113 2.113 . 0 0 "[ ]" 1
537 1 40 LEU HG 1 57 VAL HB 2.235 . 2.860 2.200 2.200 2.200 . 0 0 "[ ]" 1
538 1 41 GLU H 1 41 GLU HB3 2.129 . 2.696 2.465 2.465 2.465 . 0 0 "[ ]" 1
539 1 41 GLU H 1 41 GLU HG2 2.659 . 3.543 2.489 2.489 2.489 . 0 0 "[ ]" 1
540 1 41 GLU H 1 42 LEU H 2.499 . 3.280 2.536 2.536 2.536 . 0 0 "[ ]" 1
541 1 41 GLU H 1 43 ALA H 3.428 . 4.897 4.373 4.373 4.373 . 0 0 "[ ]" 1
542 1 41 GLU HA 1 41 GLU HB3 2.159 . 2.742 2.549 2.549 2.549 . 0 0 "[ ]" 1
543 1 41 GLU HA 1 43 ALA H 3.507 . 5.044 4.452 4.452 4.452 . 0 0 "[ ]" 1
544 1 41 GLU HG2 1 42 LEU H 3.221 . 4.518 2.310 2.310 2.310 . 0 0 "[ ]" 1
545 1 41 GLU HG2 1 42 LEU MD2 2.599 . 3.443 3.540 3.540 3.540 0.097 1 0 "[ ]" 1
546 1 42 LEU H 1 42 LEU HA 2.542 . 3.350 2.772 2.772 2.772 . 0 0 "[ ]" 1
547 1 42 LEU H 1 42 LEU HB2 2.178 . 2.771 2.052 2.052 2.052 . 0 0 "[ ]" 1
548 1 42 LEU H 1 42 LEU HB3 2.522 . 3.317 3.151 3.151 3.151 . 0 0 "[ ]" 1
549 1 42 LEU H 1 43 ALA H 2.508 . 3.295 2.872 2.872 2.872 . 0 0 "[ ]" 1
550 1 42 LEU HA 1 42 LEU HB3 2.275 . 2.922 2.917 2.917 2.917 . 0 0 "[ ]" 1
551 1 42 LEU HA 1 42 LEU MD2 2.055 . 2.583 2.186 2.186 2.186 . 0 0 "[ ]" 1
552 1 42 LEU HA 1 45 TRP QB 2.104 . 2.657 2.396 2.396 2.396 . 0 0 "[ ]" 1
553 1 42 LEU HA 1 45 TRP HE3 2.799 . 3.779 3.710 3.710 3.710 . 0 0 "[ ]" 1
554 1 42 LEU HB2 1 43 ALA H 2.526 . 3.323 3.154 3.154 3.154 . 0 0 "[ ]" 1
555 1 42 LEU MD1 1 45 TRP HE3 2.605 . 3.453 2.647 2.647 2.647 . 0 0 "[ ]" 1
556 1 42 LEU MD2 1 42 LEU HG 1.804 . 2.211 2.123 2.123 2.123 . 0 0 "[ ]" 1
557 1 42 LEU MD2 1 45 TRP QB 3.169 . 4.424 3.769 3.769 3.769 . 0 0 "[ ]" 1
558 1 43 ALA H 1 43 ALA HA 2.452 . 3.204 2.770 2.770 2.770 . 0 0 "[ ]" 1
559 1 43 ALA H 1 43 ALA MB 2.171 . 2.760 2.221 2.221 2.221 . 0 0 "[ ]" 1
560 1 43 ALA H 1 44 GLU H 2.735 . 3.670 3.047 3.047 3.047 . 0 0 "[ ]" 1
561 1 43 ALA HA 1 43 ALA MB 1.934 . 2.402 2.126 2.126 2.126 . 0 0 "[ ]" 1
562 1 43 ALA HA 1 46 GLN HB3 2.953 . 4.043 3.566 3.566 3.566 . 0 0 "[ ]" 1
563 1 43 ALA HA 1 47 TYR H 3.511 . 5.052 3.657 3.657 3.657 . 0 0 "[ ]" 1
564 1 43 ALA HA 1 47 TYR QD 2.300 . 2.961 3.030 3.030 3.030 0.069 1 0 "[ ]" 1
565 1 43 ALA MB 1 44 GLU H 3.350 . 4.753 2.111 2.111 2.111 . 0 0 "[ ]" 1
566 1 43 ALA MB 1 47 TYR QD 2.499 . 3.279 3.304 3.304 3.304 0.025 1 0 "[ ]" 1
567 1 43 ALA MB 1 47 TYR QE 2.919 . 3.984 3.688 3.688 3.688 . 0 0 "[ ]" 1
568 1 43 ALA MB 1 54 VAL HB 2.739 . 3.677 2.542 2.542 2.542 . 0 0 "[ ]" 1
569 1 43 ALA MB 1 54 VAL MG1 2.029 . 2.544 2.498 2.498 2.498 . 0 0 "[ ]" 1
570 1 43 ALA MB 1 54 VAL MG2 1.934 . 2.401 1.800 1.800 1.800 . 0 0 "[ ]" 1
571 1 44 GLU H 1 44 GLU HB2 3.312 . 4.683 2.459 2.459 2.459 . 0 0 "[ ]" 1
572 1 44 GLU H 1 44 GLU HB3 3.257 . 4.583 3.584 3.584 3.584 . 0 0 "[ ]" 1
573 1 44 GLU H 1 44 GLU HG3 3.321 . 4.700 2.232 2.232 2.232 . 0 0 "[ ]" 1
574 1 44 GLU H 1 45 TRP H 3.093 . 4.289 2.700 2.700 2.700 . 0 0 "[ ]" 1
575 1 44 GLU H 1 54 VAL MG1 3.497 . 5.026 2.760 2.760 2.760 . 0 0 "[ ]" 1
576 1 44 GLU HA 1 44 GLU HB3 2.125 . 2.690 2.495 2.495 2.495 . 0 0 "[ ]" 1
577 1 44 GLU HA 1 44 GLU HG3 2.512 . 3.301 3.140 3.140 3.140 . 0 0 "[ ]" 1
578 1 44 GLU HA 1 45 TRP H 3.304 . 4.669 3.376 3.376 3.376 . 0 0 "[ ]" 1
579 1 44 GLU HA 1 47 TYR H 3.375 . 4.799 4.030 4.030 4.030 . 0 0 "[ ]" 1
580 1 44 GLU HA 1 54 VAL MG1 2.077 . 2.616 2.133 2.133 2.133 . 0 0 "[ ]" 1
581 1 44 GLU HB2 1 44 GLU HG3 2.497 . 3.276 2.379 2.379 2.379 . 0 0 "[ ]" 1
582 1 44 GLU HB3 1 44 GLU HG3 2.600 . 3.445 3.006 3.006 3.006 . 0 0 "[ ]" 1
583 1 44 GLU HB3 1 45 TRP H 2.963 . 4.060 4.040 4.040 4.040 . 0 0 "[ ]" 1
584 1 44 GLU HB3 1 54 VAL MG1 2.842 . 3.852 3.551 3.551 3.551 . 0 0 "[ ]" 1
585 1 44 GLU HG3 1 54 VAL MG1 2.174 . 2.765 2.455 2.455 2.455 . 0 0 "[ ]" 1
586 1 45 TRP H 1 45 TRP HA 2.922 . 3.989 2.908 2.908 2.908 . 0 0 "[ ]" 1
587 1 45 TRP H 1 45 TRP QB 2.389 . 3.103 2.253 2.253 2.253 . 0 0 "[ ]" 1
588 1 45 TRP H 1 46 GLN H 2.948 . 4.034 2.323 2.323 2.323 . 0 0 "[ ]" 1
589 1 45 TRP HA 1 45 TRP QB 2.109 . 2.665 2.405 2.405 2.405 . 0 0 "[ ]" 1
590 1 45 TRP HA 1 45 TRP HD1 2.673 . 3.566 3.069 3.069 3.069 . 0 0 "[ ]" 1
591 1 45 TRP HA 1 45 TRP HE1 3.578 . 5.178 4.986 4.986 4.986 . 0 0 "[ ]" 1
592 1 45 TRP HA 1 46 GLN H 3.115 . 4.328 3.544 3.544 3.544 . 0 0 "[ ]" 1
593 1 45 TRP QB 1 45 TRP HD1 2.484 . 3.255 2.632 2.632 2.632 . 0 0 "[ ]" 1
594 1 45 TRP QB 1 45 TRP HE3 2.320 . 2.993 2.466 2.466 2.466 . 0 0 "[ ]" 1
595 1 45 TRP QB 1 46 GLN H 2.545 . 3.355 2.469 2.469 2.469 . 0 0 "[ ]" 1
596 1 45 TRP HE3 1 46 GLN HA 2.986 . 4.100 2.966 2.966 2.966 . 0 0 "[ ]" 1
597 1 45 TRP HE3 1 46 GLN HB2 2.668 . 3.558 2.225 2.225 2.225 . 0 0 "[ ]" 1
598 1 45 TRP HE3 1 46 GLN HB3 2.846 . 3.858 3.875 3.875 3.875 0.017 1 0 "[ ]" 1
599 1 45 TRP HZ3 1 46 GLN HG2 3.381 . 4.810 4.735 4.735 4.735 . 0 0 "[ ]" 1
600 1 46 GLN H 1 46 GLN HA 2.676 . 3.571 2.926 2.926 2.926 . 0 0 "[ ]" 1
601 1 46 GLN H 1 46 GLN HB2 2.405 . 3.128 2.627 2.627 2.627 . 0 0 "[ ]" 1
602 1 46 GLN H 1 46 GLN HB3 2.518 . 3.311 2.553 2.553 2.553 . 0 0 "[ ]" 1
603 1 46 GLN H 1 47 TYR H 2.519 . 3.312 2.092 2.092 2.092 . 0 0 "[ ]" 1
604 1 46 GLN H 1 47 TYR HB3 3.573 . 5.169 5.433 5.433 5.433 0.264 1 0 "[ ]" 1
605 1 46 GLN H 1 47 TYR QD 3.450 . 4.938 3.177 3.177 3.177 . 0 0 "[ ]" 1
606 1 46 GLN H 1 48 VAL H 3.527 . 5.082 4.309 4.309 4.309 . 0 0 "[ ]" 1
607 1 46 GLN HA 1 46 GLN HB2 2.369 . 3.070 2.531 2.531 2.531 . 0 0 "[ ]" 1
608 1 46 GLN HA 1 46 GLN HB3 2.432 . 3.171 3.017 3.017 3.017 . 0 0 "[ ]" 1
609 1 46 GLN HA 1 46 GLN HG2 2.749 . 3.694 3.751 3.751 3.751 0.057 1 0 "[ ]" 1
610 1 46 GLN HA 1 46 GLN HG3 2.648 . 3.525 2.914 2.914 2.914 . 0 0 "[ ]" 1
611 1 46 GLN HA 1 47 TYR H 3.036 . 4.188 3.399 3.399 3.399 . 0 0 "[ ]" 1
612 1 46 GLN HB2 1 47 TYR H 2.908 . 3.965 3.967 3.967 3.967 0.002 1 0 "[ ]" 1
613 1 46 GLN HB2 1 47 TYR QD 2.587 . 3.424 3.452 3.452 3.452 0.028 1 0 "[ ]" 1
614 1 46 GLN HB2 1 47 TYR QE 3.106 . 4.312 4.008 4.008 4.008 . 0 0 "[ ]" 1
615 1 46 GLN HB3 1 47 TYR H 2.851 . 3.867 3.018 3.018 3.018 . 0 0 "[ ]" 1
616 1 46 GLN HB3 1 47 TYR QD 2.541 . 3.348 1.740 1.740 1.740 . 0 0 "[ ]" 1
617 1 46 GLN HB3 1 47 TYR QE 2.846 . 3.859 2.621 2.621 2.621 . 0 0 "[ ]" 1
618 1 47 TYR H 1 47 TYR HA 2.920 . 3.986 2.907 2.907 2.907 . 0 0 "[ ]" 1
619 1 47 TYR H 1 47 TYR HB2 2.912 . 3.972 2.293 2.293 2.293 . 0 0 "[ ]" 1
620 1 47 TYR H 1 47 TYR HB3 2.657 . 3.539 3.545 3.545 3.545 0.006 1 0 "[ ]" 1
621 1 47 TYR H 1 47 TYR QD 2.809 . 3.795 2.444 2.444 2.444 . 0 0 "[ ]" 1
622 1 47 TYR H 1 47 TYR QE 3.560 . 5.144 4.663 4.663 4.663 . 0 0 "[ ]" 1
623 1 47 TYR H 1 48 VAL H 2.770 . 3.729 2.740 2.740 2.740 . 0 0 "[ ]" 1
624 1 47 TYR H 1 49 PRO HD2 3.717 . 5.444 4.820 4.820 4.820 . 0 0 "[ ]" 1
625 1 47 TYR HA 1 47 TYR HB2 2.678 . 3.575 3.005 3.005 3.005 . 0 0 "[ ]" 1
626 1 47 TYR HA 1 47 TYR HB3 2.458 . 3.213 2.549 2.549 2.549 . 0 0 "[ ]" 1
627 1 47 TYR HA 1 47 TYR QD 2.438 . 3.181 2.563 2.563 2.563 . 0 0 "[ ]" 1
628 1 47 TYR HB2 1 47 TYR QD 2.267 . 2.909 2.759 2.759 2.759 . 0 0 "[ ]" 1
629 1 47 TYR HB2 1 47 TYR QE 3.249 . 4.569 4.506 4.506 4.506 . 0 0 "[ ]" 1
630 1 47 TYR HB2 1 50 ALA MB 3.080 . 4.266 3.959 3.959 3.959 . 0 0 "[ ]" 1
631 1 47 TYR HB2 1 54 VAL MG1 2.561 . 3.381 3.209 3.209 3.209 . 0 0 "[ ]" 1
632 1 47 TYR HB3 1 47 TYR QD 2.218 . 2.833 2.356 2.356 2.356 . 0 0 "[ ]" 1
633 1 47 TYR HB3 1 47 TYR QE 3.119 . 4.335 4.387 4.387 4.387 0.052 1 0 "[ ]" 1
634 1 47 TYR HB3 1 50 ALA MB 3.306 . 4.672 2.581 2.581 2.581 . 0 0 "[ ]" 1
635 1 47 TYR QD 1 50 ALA MB 2.789 . 3.761 3.487 3.487 3.487 . 0 0 "[ ]" 1
636 1 47 TYR QE 1 50 ALA MB 3.343 . 4.740 4.626 4.626 4.626 . 0 0 "[ ]" 1
637 1 48 VAL H 1 49 PRO HD2 3.450 . 4.938 2.790 2.790 2.790 . 0 0 "[ ]" 1
638 1 48 VAL H 1 49 PRO HD3 3.187 . 4.457 2.464 2.464 2.464 . 0 0 "[ ]" 1
639 1 49 PRO HA 1 49 PRO HB3 2.141 . 2.714 2.263 2.263 2.263 . 0 0 "[ ]" 1
640 1 49 PRO HA 1 49 PRO HG2 3.050 . 4.213 4.044 4.044 4.044 . 0 0 "[ ]" 1
641 1 49 PRO HB2 1 49 PRO HD2 2.650 . 3.527 3.000 3.000 3.000 . 0 0 "[ ]" 1
642 1 49 PRO HB3 1 49 PRO HD2 2.935 . 4.012 3.871 3.871 3.871 . 0 0 "[ ]" 1
643 1 49 PRO HB3 1 49 PRO HG3 2.409 . 3.134 2.292 2.292 2.292 . 0 0 "[ ]" 1
644 1 49 PRO HD2 1 49 PRO HG2 2.563 . 3.384 2.326 2.326 2.326 . 0 0 "[ ]" 1
645 1 49 PRO HD2 1 49 PRO HG3 2.517 . 3.309 2.999 2.999 2.999 . 0 0 "[ ]" 1
646 1 49 PRO HD2 1 50 ALA MB 3.399 . 4.843 3.921 3.921 3.921 . 0 0 "[ ]" 1
647 1 49 PRO HD3 1 49 PRO HG2 2.611 . 3.463 2.671 2.671 2.671 . 0 0 "[ ]" 1
648 1 49 PRO HD3 1 49 PRO HG3 2.258 . 2.896 2.325 2.325 2.325 . 0 0 "[ ]" 1
649 1 50 ALA H 1 50 ALA MB 3.300 . 4.661 2.293 2.293 2.293 . 0 0 "[ ]" 1
650 1 50 ALA H 1 51 GLY H 2.750 . 3.695 2.388 2.388 2.388 . 0 0 "[ ]" 1
651 1 50 ALA HA 1 50 ALA MB 1.976 . 2.464 2.133 2.133 2.133 . 0 0 "[ ]" 1
652 1 50 ALA MB 1 51 GLY H 2.915 . 3.977 3.021 3.021 3.021 . 0 0 "[ ]" 1
653 1 50 ALA MB 1 52 PHE H 3.459 . 4.955 3.087 3.087 3.087 . 0 0 "[ ]" 1
654 1 50 ALA MB 1 52 PHE QD 2.219 . 2.835 2.845 2.845 2.845 0.010 1 0 "[ ]" 1
655 1 51 GLY H 1 51 GLY HA2 2.443 . 3.189 2.913 2.913 2.913 . 0 0 "[ ]" 1
656 1 51 GLY H 1 51 GLY HA3 2.669 . 3.559 2.349 2.349 2.349 . 0 0 "[ ]" 1
657 1 51 GLY H 1 52 PHE H 2.568 . 3.393 3.321 3.321 3.321 . 0 0 "[ ]" 1
658 1 51 GLY HA2 1 52 PHE H 3.070 . 4.248 2.714 2.714 2.714 . 0 0 "[ ]" 1
659 1 51 GLY HA3 1 52 PHE H 3.384 . 4.815 3.555 3.555 3.555 . 0 0 "[ ]" 1
660 1 52 PHE H 1 52 PHE HB2 2.762 . 3.716 2.628 2.628 2.628 . 0 0 "[ ]" 1
661 1 52 PHE H 1 52 PHE HB3 2.870 . 3.900 3.618 3.618 3.618 . 0 0 "[ ]" 1
662 1 52 PHE H 1 52 PHE QD 2.911 . 3.970 2.113 2.113 2.113 . 0 0 "[ ]" 1
663 1 52 PHE H 1 53 GLU H 3.527 . 5.082 4.555 4.555 4.555 . 0 0 "[ ]" 1
664 1 52 PHE HA 1 52 PHE HB3 2.438 . 3.181 2.408 2.408 2.408 . 0 0 "[ ]" 1
665 1 52 PHE HA 1 52 PHE QD 2.629 . 3.493 3.056 3.056 3.056 . 0 0 "[ ]" 1
666 1 52 PHE HA 1 53 GLU H 2.150 . 2.728 2.538 2.538 2.538 . 0 0 "[ ]" 1
667 1 52 PHE HB2 1 52 PHE QD 2.480 . 3.249 2.409 2.409 2.409 . 0 0 "[ ]" 1
668 1 52 PHE HB2 1 53 GLU H 2.729 . 3.660 3.170 3.170 3.170 . 0 0 "[ ]" 1
669 1 52 PHE HB3 1 52 PHE QD 2.249 . 2.881 2.349 2.349 2.349 . 0 0 "[ ]" 1
670 1 52 PHE HB3 1 53 GLU H 2.420 . 3.152 2.195 2.195 2.195 . 0 0 "[ ]" 1
671 1 52 PHE QD 1 53 GLU H 3.099 . 4.299 3.919 3.919 3.919 . 0 0 "[ ]" 1
672 1 53 GLU H 1 53 GLU HA 2.676 . 3.571 2.945 2.945 2.945 . 0 0 "[ ]" 1
673 1 53 GLU H 1 53 GLU HB3 2.431 . 3.170 2.533 2.533 2.533 . 0 0 "[ ]" 1
674 1 53 GLU H 1 54 VAL H 3.315 . 4.688 4.358 4.358 4.358 . 0 0 "[ ]" 1
675 1 53 GLU H 1 55 THR MG 3.396 . 4.838 4.188 4.188 4.188 . 0 0 "[ ]" 1
676 1 53 GLU HA 1 53 GLU HB2 2.420 . 3.152 2.434 2.434 2.434 . 0 0 "[ ]" 1
677 1 53 GLU HA 1 53 GLU HB3 2.453 . 3.205 3.025 3.025 3.025 . 0 0 "[ ]" 1
678 1 53 GLU HA 1 53 GLU HG2 2.767 . 3.724 3.768 3.768 3.768 0.044 1 0 "[ ]" 1
679 1 53 GLU HA 1 53 GLU HG3 2.589 . 3.427 3.077 3.077 3.077 . 0 0 "[ ]" 1
680 1 53 GLU HA 1 54 VAL H 2.093 . 2.641 2.161 2.161 2.161 . 0 0 "[ ]" 1
681 1 53 GLU HB3 1 53 GLU HG2 2.478 . 3.246 2.388 2.388 2.388 . 0 0 "[ ]" 1
682 1 53 GLU HB3 1 55 THR MG 2.499 . 3.280 3.086 3.086 3.086 . 0 0 "[ ]" 1
683 1 53 GLU HG2 1 54 VAL H 3.104 . 4.308 4.487 4.487 4.487 0.179 1 0 "[ ]" 1
684 1 53 GLU HG2 1 55 THR MG 2.698 . 3.608 3.575 3.575 3.575 . 0 0 "[ ]" 1
685 1 53 GLU HG3 1 55 THR HA 2.762 . 3.715 3.756 3.756 3.756 0.041 1 0 "[ ]" 1
686 1 53 GLU HG3 1 55 THR MG 2.269 . 2.913 2.924 2.924 2.924 0.011 1 0 "[ ]" 1
687 1 54 VAL H 1 54 VAL MG1 2.248 . 2.880 1.822 1.822 1.822 . 0 0 "[ ]" 1
688 1 54 VAL H 1 55 THR H 3.364 . 4.779 4.293 4.293 4.293 . 0 0 "[ ]" 1
689 1 54 VAL H 1 55 THR HA 3.586 . 5.193 5.143 5.143 5.143 . 0 0 "[ ]" 1
690 1 54 VAL H 1 55 THR MG 3.204 . 4.487 4.510 4.510 4.510 0.023 1 0 "[ ]" 1
691 1 54 VAL HA 1 54 VAL HB 2.660 . 3.544 2.315 2.315 2.315 . 0 0 "[ ]" 1
692 1 54 VAL HA 1 54 VAL MG2 2.207 . 2.816 2.554 2.554 2.554 . 0 0 "[ ]" 1
693 1 54 VAL HA 1 55 THR H 2.118 . 2.679 2.064 2.064 2.064 . 0 0 "[ ]" 1
694 1 54 VAL HA 1 56 ARG H 2.541 . 3.348 3.451 3.451 3.451 0.103 1 0 "[ ]" 1
695 1 54 VAL HB 1 54 VAL MG2 1.964 . 2.446 2.127 2.127 2.127 . 0 0 "[ ]" 1
696 1 54 VAL MG2 1 55 THR H 2.429 . 3.167 3.096 3.096 3.096 . 0 0 "[ ]" 1
697 1 55 THR H 1 55 THR HA 2.645 . 3.520 2.902 2.902 2.902 . 0 0 "[ ]" 1
698 1 55 THR H 1 55 THR MG 2.460 . 3.216 2.610 2.610 2.610 . 0 0 "[ ]" 1
699 1 55 THR H 1 56 ARG H 2.120 . 2.682 2.164 2.164 2.164 . 0 0 "[ ]" 1
700 1 55 THR HA 1 55 THR MG 1.804 . 2.211 2.272 2.272 2.272 0.061 1 0 "[ ]" 1
701 1 55 THR HA 1 56 ARG H 2.655 . 3.536 3.453 3.453 3.453 . 0 0 "[ ]" 1
702 1 55 THR HB 1 55 THR MG 1.704 . 2.067 2.123 2.123 2.123 0.056 1 0 "[ ]" 1
703 1 55 THR HB 1 56 ARG QD 3.644 . 5.304 4.630 4.630 4.630 . 0 0 "[ ]" 1
704 1 55 THR HB 1 56 ARG HG2 3.381 . 4.810 3.157 3.157 3.157 . 0 0 "[ ]" 1
705 1 55 THR HB 1 56 ARG HG3 3.249 . 4.568 3.088 3.088 3.088 . 0 0 "[ ]" 1
706 1 56 ARG H 1 56 ARG HA 2.410 . 3.136 2.933 2.933 2.933 . 0 0 "[ ]" 1
707 1 56 ARG H 1 56 ARG QD 3.562 . 5.148 4.388 4.388 4.388 . 0 0 "[ ]" 1
708 1 56 ARG H 1 56 ARG HG3 3.147 . 4.385 2.582 2.582 2.582 . 0 0 "[ ]" 1
709 1 56 ARG H 1 57 VAL H 3.242 . 4.556 4.400 4.400 4.400 . 0 0 "[ ]" 1
710 1 56 ARG HA 1 56 ARG HB2 2.629 . 3.493 2.970 2.970 2.970 . 0 0 "[ ]" 1
711 1 56 ARG HA 1 56 ARG HB3 2.559 . 3.377 2.287 2.287 2.287 . 0 0 "[ ]" 1
712 1 56 ARG HA 1 56 ARG HG2 2.908 . 3.965 2.952 2.952 2.952 . 0 0 "[ ]" 1
713 1 56 ARG HA 1 56 ARG HG3 2.624 . 3.485 3.443 3.443 3.443 . 0 0 "[ ]" 1
714 1 56 ARG HB2 1 56 ARG QD 2.073 . 2.610 2.312 2.312 2.312 . 0 0 "[ ]" 1
715 1 56 ARG HB2 1 56 ARG HG2 2.276 . 2.924 3.005 3.005 3.005 0.081 1 0 "[ ]" 1
716 1 56 ARG HB3 1 56 ARG QD 2.369 . 3.070 2.502 2.502 2.502 . 0 0 "[ ]" 1
717 1 56 ARG QD 1 56 ARG HG2 2.158 . 2.740 2.262 2.262 2.262 . 0 0 "[ ]" 1
718 1 56 ARG QD 1 56 ARG HG3 2.163 . 2.748 2.423 2.423 2.423 . 0 0 "[ ]" 1
719 1 57 VAL H 1 57 VAL HA 2.698 . 3.608 2.923 2.923 2.923 . 0 0 "[ ]" 1
720 1 57 VAL H 1 57 VAL HB 2.266 . 2.908 2.951 2.951 2.951 0.043 1 0 "[ ]" 1
721 1 57 VAL H 1 58 ARG H 3.196 . 4.472 4.171 4.171 4.171 . 0 0 "[ ]" 1
722 1 57 VAL HA 1 57 VAL HB 2.383 . 3.093 3.024 3.024 3.024 . 0 0 "[ ]" 1
723 1 57 VAL HA 1 57 VAL MG1 2.143 . 2.717 2.318 2.318 2.318 . 0 0 "[ ]" 1
724 1 57 VAL HA 1 57 VAL MG2 2.182 . 2.777 2.495 2.495 2.495 . 0 0 "[ ]" 1
725 1 57 VAL HA 1 58 ARG H 2.188 . 2.787 2.166 2.166 2.166 . 0 0 "[ ]" 1
726 1 57 VAL HB 1 57 VAL MG1 1.942 . 2.414 2.120 2.120 2.120 . 0 0 "[ ]" 1
727 1 57 VAL HB 1 57 VAL MG2 2.021 . 2.532 2.126 2.126 2.126 . 0 0 "[ ]" 1
728 1 57 VAL MG1 1 58 ARG H 2.548 . 3.360 2.681 2.681 2.681 . 0 0 "[ ]" 1
729 1 58 ARG H 1 58 ARG HA 2.787 . 3.758 2.964 2.964 2.964 . 0 0 "[ ]" 1
730 1 58 ARG H 1 58 ARG HB3 3.108 . 4.315 3.035 3.035 3.035 . 0 0 "[ ]" 1
731 1 58 ARG H 1 58 ARG HG2 2.906 . 3.962 2.243 2.243 2.243 . 0 0 "[ ]" 1
732 1 58 ARG H 1 59 PRO QD 3.272 . 4.610 4.319 4.319 4.319 . 0 0 "[ ]" 1
733 1 58 ARG HA 1 58 ARG HB2 2.216 . 2.830 2.422 2.422 2.422 . 0 0 "[ ]" 1
734 1 58 ARG HA 1 58 ARG HB3 2.237 . 2.863 2.513 2.513 2.513 . 0 0 "[ ]" 1
735 1 58 ARG HA 1 58 ARG HG2 2.862 . 3.886 3.779 3.779 3.779 . 0 0 "[ ]" 1
736 1 58 ARG HA 1 58 ARG HG3 2.833 . 3.836 3.731 3.731 3.731 . 0 0 "[ ]" 1
737 1 58 ARG HA 1 59 PRO QD 1.828 . 2.246 1.748 1.748 1.748 . 0 0 "[ ]" 1
738 1 58 ARG HA 1 59 PRO QG 2.591 . 3.430 3.548 3.548 3.548 0.118 1 0 "[ ]" 1
739 1 58 ARG HB2 1 58 ARG HD2 2.648 . 3.525 2.663 2.663 2.663 . 0 0 "[ ]" 1
740 1 58 ARG HB2 1 58 ARG HD3 2.610 . 3.462 2.915 2.915 2.915 . 0 0 "[ ]" 1
741 1 58 ARG HB2 1 59 PRO QD 2.549 . 3.361 2.464 2.464 2.464 . 0 0 "[ ]" 1
742 1 58 ARG HB3 1 58 ARG HD2 2.648 . 3.524 3.216 3.216 3.216 . 0 0 "[ ]" 1
743 1 58 ARG HB3 1 58 ARG HD3 2.584 . 3.418 2.392 2.392 2.392 . 0 0 "[ ]" 1
744 1 58 ARG HD2 1 58 ARG HG2 2.545 . 3.355 3.003 3.003 3.003 . 0 0 "[ ]" 1
745 1 58 ARG HD2 1 58 ARG HG3 2.497 . 3.276 2.357 2.357 2.357 . 0 0 "[ ]" 1
746 1 58 ARG HD3 1 58 ARG HG2 2.483 . 3.254 2.545 2.545 2.545 . 0 0 "[ ]" 1
747 1 58 ARG HD3 1 58 ARG HG3 2.588 . 3.425 3.003 3.003 3.003 . 0 0 "[ ]" 1
748 1 58 ARG HG3 1 59 PRO QD 2.825 . 3.823 3.814 3.814 3.814 . 0 0 "[ ]" 1
749 1 59 PRO HA 1 59 PRO HB3 2.096 . 2.645 2.245 2.245 2.245 . 0 0 "[ ]" 1
750 1 59 PRO HA 1 59 PRO QG 2.482 . 3.252 3.246 3.246 3.246 . 0 0 "[ ]" 1
751 1 59 PRO HA 1 60 CYS H 2.155 . 2.736 2.147 2.147 2.147 . 0 0 "[ ]" 1
752 1 59 PRO HB2 1 59 PRO QD 2.513 . 3.303 2.999 2.999 2.999 . 0 0 "[ ]" 1
753 1 59 PRO HB2 1 61 VAL QG 2.507 . 3.293 2.022 2.022 2.022 . 0 0 "[ ]" 1
754 1 59 PRO QD 1 59 PRO QG 1.875 . 2.314 1.968 1.968 1.968 . 0 0 "[ ]" 1
755 1 59 PRO QD 1 60 CYS H 3.485 . 5.003 4.796 4.796 4.796 . 0 0 "[ ]" 1
756 1 60 CYS H 1 60 CYS HB2 2.413 . 3.141 2.498 2.498 2.498 . 0 0 "[ ]" 1
757 1 60 CYS H 1 60 CYS HB3 2.447 . 3.195 2.628 2.628 2.628 . 0 0 "[ ]" 1
758 1 60 CYS H 1 61 VAL QG 3.263 . 4.594 3.377 3.377 3.377 . 0 0 "[ ]" 1
759 1 60 CYS HA 1 60 CYS HB2 2.556 . 3.373 2.545 2.545 2.545 . 0 0 "[ ]" 1
760 1 60 CYS HA 1 60 CYS HB3 2.386 . 3.098 3.031 3.031 3.031 . 0 0 "[ ]" 1
761 1 60 CYS HA 1 61 VAL H 3.375 . 4.799 3.505 3.505 3.505 . 0 0 "[ ]" 1
762 1 61 VAL H 1 61 VAL QG 3.482 . 4.997 2.337 2.337 2.337 . 0 0 "[ ]" 1
763 1 61 VAL HA 1 61 VAL HB 2.069 . 2.604 2.509 2.509 2.509 . 0 0 "[ ]" 1
764 1 61 VAL HA 1 61 VAL QG 1.919 . 2.379 2.210 2.210 2.210 . 0 0 "[ ]" 1
765 1 61 VAL HA 1 62 ALA H 2.840 . 3.848 2.524 2.524 2.524 . 0 0 "[ ]" 1
766 1 61 VAL HA 1 62 ALA MB 3.117 . 4.331 4.393 4.393 4.393 0.062 1 0 "[ ]" 1
767 1 61 VAL HB 1 62 ALA H 3.602 . 5.224 4.323 4.323 4.323 . 0 0 "[ ]" 1
768 1 61 VAL QG 1 62 ALA H 3.284 . 4.632 3.726 3.726 3.726 . 0 0 "[ ]" 1
769 1 62 ALA H 1 62 ALA MB 2.861 . 3.884 2.497 2.497 2.497 . 0 0 "[ ]" 1
770 1 62 ALA HA 1 62 ALA MB 2.130 . 2.697 2.135 2.135 2.135 . 0 0 "[ ]" 1
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