NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611974 |
2naz   |
18849 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2naz
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 1463
_Distance_constraint_stats_list.Viol_count 1405
_Distance_constraint_stats_list.Viol_total 935.466
_Distance_constraint_stats_list.Viol_max 0.299
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0666
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.057 0.039 7 0 "[ . 1]"
1 3 ASP 0.057 0.039 7 0 "[ . 1]"
1 4 GLU 0.213 0.076 4 0 "[ . 1]"
1 5 VAL 0.827 0.119 2 0 "[ . 1]"
1 6 ALA 0.272 0.086 4 0 "[ . 1]"
1 7 GLN 1.027 0.119 2 0 "[ . 1]"
1 8 ARG 2.910 0.178 9 0 "[ . 1]"
1 9 ILE 1.926 0.117 6 0 "[ . 1]"
1 10 GLU 2.003 0.122 2 0 "[ . 1]"
1 11 PHE 1.293 0.122 2 0 "[ . 1]"
1 12 ASP 0.000 0.000 . 0 "[ . 1]"
1 13 ASP 0.000 0.000 . 0 "[ . 1]"
1 14 LEU 0.000 0.000 . 0 "[ . 1]"
1 15 VAL 1.261 0.146 8 0 "[ . 1]"
1 16 ILE 1.161 0.096 8 0 "[ . 1]"
1 17 ASP 2.861 0.178 9 0 "[ . 1]"
1 18 ASN 0.570 0.058 3 0 "[ . 1]"
1 19 GLY 2.043 0.207 8 0 "[ . 1]"
1 20 GLY 0.282 0.058 3 0 "[ . 1]"
1 21 ARG 1.327 0.207 8 0 "[ . 1]"
1 22 SER 1.237 0.074 9 0 "[ . 1]"
1 23 VAL 2.502 0.096 8 0 "[ . 1]"
1 24 THR 2.033 0.121 10 0 "[ . 1]"
1 25 LEU 2.703 0.146 8 0 "[ . 1]"
1 26 ASN 0.000 0.000 . 0 "[ . 1]"
1 27 GLY 0.064 0.012 10 0 "[ . 1]"
1 28 GLU 1.819 0.121 10 0 "[ . 1]"
1 29 LEU 1.106 0.113 9 0 "[ . 1]"
1 30 VAL 2.262 0.113 9 0 "[ . 1]"
1 31 ASP 2.686 0.135 5 0 "[ . 1]"
1 32 PHE 0.357 0.055 10 0 "[ . 1]"
1 33 THR 0.000 0.000 . 0 "[ . 1]"
1 34 SER 1.385 0.107 8 0 "[ . 1]"
1 35 ALA 0.081 0.013 9 0 "[ . 1]"
1 36 GLU 2.109 0.131 5 0 "[ . 1]"
1 37 TYR 0.344 0.107 8 0 "[ . 1]"
1 38 ASP 4.948 0.167 6 0 "[ . 1]"
1 39 LEU 2.331 0.200 6 0 "[ . 1]"
1 40 LEU 3.391 0.167 6 0 "[ . 1]"
1 41 TRP 2.039 0.140 2 0 "[ . 1]"
1 42 LEU 6.041 0.205 6 0 "[ . 1]"
1 43 LEU 2.365 0.200 6 0 "[ . 1]"
1 44 ALA 1.093 0.110 6 0 "[ . 1]"
1 45 SER 0.529 0.040 2 0 "[ . 1]"
1 46 ASN 2.849 0.205 6 0 "[ . 1]"
1 47 ALA 1.774 0.110 6 0 "[ . 1]"
1 48 GLY 2.863 0.177 10 0 "[ . 1]"
1 49 ARG 0.494 0.107 8 0 "[ . 1]"
1 50 ILE 1.154 0.097 2 0 "[ . 1]"
1 51 LEU 4.469 0.215 2 0 "[ . 1]"
1 52 SER 0.879 0.080 1 0 "[ . 1]"
1 53 ARG 5.247 0.221 2 0 "[ . 1]"
1 54 GLU 0.997 0.075 8 0 "[ . 1]"
1 55 ASP 3.136 0.129 6 0 "[ . 1]"
1 56 ILE 1.514 0.137 2 0 "[ . 1]"
1 57 PHE 7.505 0.221 2 0 "[ . 1]"
1 58 GLU 3.240 0.177 9 0 "[ . 1]"
1 59 ARG 1.314 0.299 1 0 "[ . 1]"
1 60 LEU 2.234 0.137 2 0 "[ . 1]"
1 61 ARG 0.455 0.210 10 0 "[ . 1]"
1 62 GLY 0.259 0.075 1 0 "[ . 1]"
1 63 ILE 1.869 0.228 6 0 "[ . 1]"
1 64 GLU 1.267 0.124 9 0 "[ . 1]"
1 72 ILE 0.562 0.149 6 0 "[ . 1]"
1 73 ASP 0.119 0.027 9 0 "[ . 1]"
1 74 VAL 2.928 0.189 7 0 "[ . 1]"
1 75 ARG 2.111 0.212 8 0 "[ . 1]"
1 76 ILE 2.071 0.096 3 0 "[ . 1]"
1 77 SER 1.226 0.212 8 0 "[ . 1]"
1 78 ARG 4.142 0.188 7 0 "[ . 1]"
1 79 ILE 0.967 0.111 10 0 "[ . 1]"
1 80 ARG 0.000 0.000 . 0 "[ . 1]"
1 81 PRO 0.124 0.042 8 0 "[ . 1]"
1 82 LYS 7.151 0.162 10 0 "[ . 1]"
1 83 ILE 1.085 0.079 7 0 "[ . 1]"
1 84 GLY 1.893 0.149 8 0 "[ . 1]"
1 85 ASP 1.737 0.172 4 0 "[ . 1]"
1 86 ASP 2.450 0.119 10 0 "[ . 1]"
1 87 PRO 1.579 0.119 10 0 "[ . 1]"
1 88 GLU 0.276 0.177 6 0 "[ . 1]"
1 89 ASN 3.641 0.177 6 0 "[ . 1]"
1 90 PRO 5.484 0.172 4 0 "[ . 1]"
1 91 LYS 1.125 0.080 5 0 "[ . 1]"
1 92 ARG 1.037 0.117 5 0 "[ . 1]"
1 93 ILE 4.044 0.128 7 0 "[ . 1]"
1 95 THR 4.565 0.295 9 0 "[ . 1]"
1 96 VAL 0.000 0.000 . 0 "[ . 1]"
1 99 LYS 2.641 0.140 6 0 "[ . 1]"
1 100 GLY 5.315 0.295 9 0 "[ . 1]"
1 101 TYR 1.085 0.101 1 0 "[ . 1]"
1 102 LEU 5.121 0.215 2 0 "[ . 1]"
1 103 PHE 1.745 0.143 1 0 "[ . 1]"
1 104 VAL 1.495 0.128 7 0 "[ . 1]"
1 105 LYS 0.000 0.000 . 0 "[ . 1]"
1 106 GLU 0.000 0.000 . 0 "[ . 1]"
1 107 THR 0.023 0.012 3 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 2 GLU HA 1 3 ASP H . . 3.090 2.429 2.247 3.108 0.018 8 0 "[ . 1]" 1
2 1 2 GLU HB2 1 3 ASP H . . 4.450 3.882 2.666 4.211 . 0 0 "[ . 1]" 1
3 1 2 GLU HB3 1 3 ASP H . . 4.460 3.677 2.563 4.499 0.039 7 0 "[ . 1]" 1
4 1 3 ASP HA 1 3 ASP HB3 . . 2.900 2.381 2.371 2.396 . 0 0 "[ . 1]" 1
5 1 3 ASP HA 1 4 GLU H . . 2.720 2.277 2.122 2.437 . 0 0 "[ . 1]" 1
6 1 3 ASP HB3 1 4 GLU H . . 4.050 3.344 2.524 3.859 . 0 0 "[ . 1]" 1
7 1 4 GLU H 1 4 GLU HB2 . . 3.620 3.183 2.823 3.385 . 0 0 "[ . 1]" 1
8 1 4 GLU H 1 4 GLU HB3 . . 3.980 3.206 2.950 3.871 . 0 0 "[ . 1]" 1
9 1 4 GLU H 1 4 GLU HG2 . . 5.160 4.616 4.255 4.776 . 0 0 "[ . 1]" 1
10 1 4 GLU H 1 4 GLU HG3 . . 5.480 4.530 3.426 4.809 . 0 0 "[ . 1]" 1
11 1 4 GLU H 1 5 VAL HA . . 4.650 4.270 3.770 4.726 0.076 4 0 "[ . 1]" 1
12 1 4 GLU H 1 5 VAL MG1 . . 5.500 4.405 3.969 4.647 . 0 0 "[ . 1]" 1
13 1 5 VAL HA 1 5 VAL MG1 . . 2.720 2.212 2.133 2.275 . 0 0 "[ . 1]" 1
14 1 5 VAL HA 1 6 ALA H . . 2.590 2.081 2.000 2.210 . 0 0 "[ . 1]" 1
15 1 5 VAL HA 1 6 ALA MB . . 4.510 3.802 3.761 3.838 . 0 0 "[ . 1]" 1
16 1 5 VAL HA 1 7 GLN H . . 5.180 4.827 4.091 5.299 0.119 2 0 "[ . 1]" 1
17 1 5 VAL HB 1 6 ALA H . . 4.100 3.462 2.420 4.124 0.024 5 0 "[ . 1]" 1
18 1 5 VAL MG1 1 6 ALA H . . 3.580 2.779 2.514 3.039 . 0 0 "[ . 1]" 1
19 1 5 VAL MG1 1 7 GLN H . . 5.250 4.149 3.970 4.377 . 0 0 "[ . 1]" 1
20 1 6 ALA H 1 6 ALA MB . . 2.750 2.217 2.127 2.266 . 0 0 "[ . 1]" 1
21 1 6 ALA HA 1 8 ARG H . . 4.050 3.654 3.101 4.136 0.086 4 0 "[ . 1]" 1
22 1 6 ALA MB 1 7 GLN H . . 3.910 3.232 2.780 3.375 . 0 0 "[ . 1]" 1
23 1 6 ALA MB 1 8 ARG H . . 3.840 2.875 2.346 3.228 . 0 0 "[ . 1]" 1
24 1 7 GLN H 1 7 GLN HB2 . . 3.730 2.955 2.257 3.745 0.015 4 0 "[ . 1]" 1
25 1 7 GLN H 1 7 GLN HG2 . . 4.650 3.589 2.718 4.379 . 0 0 "[ . 1]" 1
26 1 7 GLN H 1 7 GLN HG3 . . 5.040 2.942 2.497 3.843 . 0 0 "[ . 1]" 1
27 1 7 GLN H 1 8 ARG H . . 3.580 2.643 2.374 2.787 . 0 0 "[ . 1]" 1
28 1 7 GLN H 1 8 ARG HB2 . . 5.130 4.914 4.287 5.144 0.014 7 0 "[ . 1]" 1
29 1 7 GLN HA 1 7 GLN HG2 . . 4.040 2.632 2.440 3.456 . 0 0 "[ . 1]" 1
30 1 7 GLN HA 1 7 GLN HG3 . . 3.860 3.092 2.525 3.711 . 0 0 "[ . 1]" 1
31 1 7 GLN HA 1 8 ARG H . . 3.250 3.180 2.996 3.360 0.110 2 0 "[ . 1]" 1
32 1 7 GLN HA 1 19 GLY H . . 4.680 4.234 2.997 4.656 . 0 0 "[ . 1]" 1
33 1 7 GLN HB2 1 8 ARG H . . 4.560 3.774 3.161 4.096 . 0 0 "[ . 1]" 1
34 1 7 GLN HB2 1 8 ARG HA . . 5.500 5.120 4.990 5.303 . 0 0 "[ . 1]" 1
35 1 7 GLN HB3 1 19 GLY H . . 4.330 2.703 2.500 2.884 . 0 0 "[ . 1]" 1
36 1 7 GLN HG2 1 19 GLY H . . 5.500 4.908 3.848 5.502 0.002 8 0 "[ . 1]" 1
37 1 7 GLN HG3 1 19 GLY H . . 5.500 5.142 4.743 5.411 . 0 0 "[ . 1]" 1
38 1 7 GLN O 1 18 ASN H . . 2.000 1.994 1.898 2.049 0.049 2 0 "[ . 1]" 1
39 1 7 GLN O 1 18 ASN N . . 3.000 2.897 2.809 2.958 . 0 0 "[ . 1]" 1
40 1 8 ARG H 1 8 ARG HB2 . . 3.010 2.588 2.497 2.818 . 0 0 "[ . 1]" 1
41 1 8 ARG H 1 8 ARG HD2 . . 4.920 2.904 2.717 3.242 . 0 0 "[ . 1]" 1
42 1 8 ARG H 1 8 ARG HD3 . . 5.220 3.395 2.648 4.248 . 0 0 "[ . 1]" 1
43 1 8 ARG H 1 9 ILE H . . 4.470 4.416 4.301 4.453 . 0 0 "[ . 1]" 1
44 1 8 ARG H 1 9 ILE HG12 . . 4.880 4.749 4.467 4.881 0.001 3 0 "[ . 1]" 1
45 1 8 ARG H 1 17 ASP HA . . 4.810 4.780 4.689 4.896 0.086 6 0 "[ . 1]" 1
46 1 8 ARG H 1 18 ASN H . . 5.330 4.992 4.717 5.096 . 0 0 "[ . 1]" 1
47 1 8 ARG H 1 19 GLY H . . 5.500 4.995 4.819 5.153 . 0 0 "[ . 1]" 1
48 1 8 ARG HA 1 8 ARG HD2 . . 4.820 3.222 2.950 3.463 . 0 0 "[ . 1]" 1
49 1 8 ARG HA 1 8 ARG HD3 . . 5.190 4.143 3.770 4.470 . 0 0 "[ . 1]" 1
50 1 8 ARG HA 1 8 ARG HG2 . . 4.140 3.583 3.499 3.679 . 0 0 "[ . 1]" 1
51 1 8 ARG HA 1 8 ARG HG3 . . 3.980 2.344 2.237 2.495 . 0 0 "[ . 1]" 1
52 1 8 ARG HA 1 9 ILE H . . 3.220 2.095 2.055 2.142 . 0 0 "[ . 1]" 1
53 1 8 ARG HA 1 9 ILE HA . . 4.990 4.496 4.467 4.516 . 0 0 "[ . 1]" 1
54 1 8 ARG HA 1 9 ILE MD . . 5.500 3.802 3.760 3.881 . 0 0 "[ . 1]" 1
55 1 8 ARG HA 1 9 ILE HG12 . . 5.500 3.115 3.056 3.217 . 0 0 "[ . 1]" 1
56 1 8 ARG HA 1 9 ILE HG13 . . 5.500 4.875 4.817 4.978 . 0 0 "[ . 1]" 1
57 1 8 ARG HA 1 15 VAL MG1 . . 4.470 3.489 3.447 3.556 . 0 0 "[ . 1]" 1
58 1 8 ARG HA 1 16 ILE H . . 5.240 4.828 4.787 4.876 . 0 0 "[ . 1]" 1
59 1 8 ARG HA 1 16 ILE HB . . 5.500 5.428 5.396 5.465 . 0 0 "[ . 1]" 1
60 1 8 ARG HA 1 17 ASP HA . . 3.600 2.272 2.156 2.480 . 0 0 "[ . 1]" 1
61 1 8 ARG HA 1 17 ASP HB2 . . 5.500 4.340 3.938 5.252 . 0 0 "[ . 1]" 1
62 1 8 ARG HA 1 17 ASP HB3 . . 4.850 4.947 4.876 4.997 0.147 9 0 "[ . 1]" 1
63 1 8 ARG HA 1 18 ASN H . . 4.060 3.418 3.254 3.532 . 0 0 "[ . 1]" 1
64 1 8 ARG HA 1 19 GLY H . . 5.500 4.289 4.204 4.381 . 0 0 "[ . 1]" 1
65 1 8 ARG HA 1 41 TRP HZ3 . . 5.500 4.539 4.318 4.870 . 0 0 "[ . 1]" 1
66 1 8 ARG HB2 1 8 ARG HD3 . . 3.380 2.489 2.341 2.712 . 0 0 "[ . 1]" 1
67 1 8 ARG HB3 1 15 VAL HB . . 5.410 4.865 4.621 5.237 . 0 0 "[ . 1]" 1
68 1 8 ARG HB3 1 15 VAL MG1 . . 3.700 2.374 2.195 2.620 . 0 0 "[ . 1]" 1
69 1 8 ARG HB3 1 16 ILE H . . 5.080 4.954 4.750 5.122 0.042 6 0 "[ . 1]" 1
70 1 8 ARG HB3 1 17 ASP HA . . 4.500 4.211 4.002 4.409 . 0 0 "[ . 1]" 1
71 1 8 ARG HD2 1 17 ASP HA . . 5.500 3.781 3.424 4.257 . 0 0 "[ . 1]" 1
72 1 8 ARG HG2 1 9 ILE H . . 4.820 4.756 4.671 4.825 0.005 7 0 "[ . 1]" 1
73 1 8 ARG HG2 1 15 VAL HB . . 5.410 5.120 4.784 5.416 0.006 4 0 "[ . 1]" 1
74 1 8 ARG HG2 1 17 ASP HA . . 4.680 4.292 4.172 4.369 . 0 0 "[ . 1]" 1
75 1 8 ARG HG3 1 9 ILE H . . 5.110 3.857 3.697 3.983 . 0 0 "[ . 1]" 1
76 1 8 ARG HG3 1 15 VAL MG1 . . 4.080 3.317 3.082 3.407 . 0 0 "[ . 1]" 1
77 1 8 ARG HG3 1 17 ASP H . . 5.500 4.903 4.824 5.030 . 0 0 "[ . 1]" 1
78 1 8 ARG HG3 1 17 ASP HA . . 4.350 2.552 2.434 2.611 . 0 0 "[ . 1]" 1
79 1 8 ARG HG3 1 17 ASP HB2 . . 5.360 3.223 2.706 4.364 . 0 0 "[ . 1]" 1
80 1 8 ARG HG3 1 17 ASP HB3 . . 3.770 3.873 3.775 3.948 0.178 9 0 "[ . 1]" 1
81 1 8 ARG HG3 1 18 ASN H . . 5.190 4.472 4.210 4.586 . 0 0 "[ . 1]" 1
82 1 8 ARG HG3 1 19 GLY H . . 5.500 4.410 4.183 4.562 . 0 0 "[ . 1]" 1
83 1 9 ILE H 1 9 ILE HB . . 3.400 2.619 2.583 2.690 . 0 0 "[ . 1]" 1
84 1 9 ILE H 1 9 ILE MD . . 4.050 3.421 3.404 3.447 . 0 0 "[ . 1]" 1
85 1 9 ILE H 1 9 ILE HG12 . . 3.520 2.499 2.481 2.515 . 0 0 "[ . 1]" 1
86 1 9 ILE H 1 10 GLU H . . 4.420 4.312 4.277 4.340 . 0 0 "[ . 1]" 1
87 1 9 ILE H 1 15 VAL MG1 . . 3.320 2.778 2.734 2.816 . 0 0 "[ . 1]" 1
88 1 9 ILE H 1 16 ILE HB . . 4.080 3.816 3.767 3.869 . 0 0 "[ . 1]" 1
89 1 9 ILE H 1 16 ILE O . . 2.000 1.780 1.755 1.833 . 0 0 "[ . 1]" 1
90 1 9 ILE H 1 17 ASP HA . . 4.070 3.528 3.432 3.687 . 0 0 "[ . 1]" 1
91 1 9 ILE H 1 41 TRP HZ3 . . 5.290 4.601 4.473 4.762 . 0 0 "[ . 1]" 1
92 1 9 ILE HA 1 9 ILE MD . . 4.060 2.513 2.446 2.625 . 0 0 "[ . 1]" 1
93 1 9 ILE HA 1 9 ILE HG12 . . 3.860 3.471 3.448 3.505 . 0 0 "[ . 1]" 1
94 1 9 ILE HA 1 9 ILE HG13 . . 4.000 3.968 3.951 3.998 . 0 0 "[ . 1]" 1
95 1 9 ILE HA 1 9 ILE MG . . 3.360 2.415 2.369 2.441 . 0 0 "[ . 1]" 1
96 1 9 ILE HA 1 10 GLU H . . 2.730 2.247 2.235 2.257 . 0 0 "[ . 1]" 1
97 1 9 ILE HA 1 10 GLU HA . . 4.960 4.504 4.499 4.509 . 0 0 "[ . 1]" 1
98 1 9 ILE HA 1 10 GLU HG2 . . 5.500 4.179 4.153 4.231 . 0 0 "[ . 1]" 1
99 1 9 ILE HA 1 10 GLU HG3 . . 5.500 5.506 5.503 5.511 0.011 8 0 "[ . 1]" 1
100 1 9 ILE HA 1 11 PHE QE . . 5.500 4.894 4.834 4.929 . 0 0 "[ . 1]" 1
101 1 9 ILE HA 1 16 ILE H . . 4.820 4.838 4.833 4.847 0.027 8 0 "[ . 1]" 1
102 1 9 ILE HA 1 16 ILE HB . . 5.500 5.088 5.065 5.112 . 0 0 "[ . 1]" 1
103 1 9 ILE HB 1 10 GLU H . . 4.350 4.107 4.078 4.129 . 0 0 "[ . 1]" 1
104 1 9 ILE HB 1 11 PHE QE . . 4.050 3.576 3.487 3.610 . 0 0 "[ . 1]" 1
105 1 9 ILE HB 1 15 VAL HA . . 5.500 4.643 4.615 4.666 . 0 0 "[ . 1]" 1
106 1 9 ILE HB 1 15 VAL MG1 . . 5.030 4.231 4.221 4.239 . 0 0 "[ . 1]" 1
107 1 9 ILE HB 1 16 ILE H . . 4.010 3.059 3.033 3.072 . 0 0 "[ . 1]" 1
108 1 9 ILE HB 1 16 ILE HA . . 5.500 4.695 4.663 4.737 . 0 0 "[ . 1]" 1
109 1 9 ILE HB 1 16 ILE HB . . 4.020 2.260 2.232 2.284 . 0 0 "[ . 1]" 1
110 1 9 ILE HB 1 41 TRP HZ3 . . 5.230 4.145 4.097 4.226 . 0 0 "[ . 1]" 1
111 1 9 ILE MD 1 18 ASN H . . 5.360 4.335 4.213 4.452 . 0 0 "[ . 1]" 1
112 1 9 ILE MD 1 41 TRP HH2 . . 4.220 2.513 2.485 2.535 . 0 0 "[ . 1]" 1
113 1 9 ILE MD 1 41 TRP HZ2 . . 5.330 4.476 4.447 4.526 . 0 0 "[ . 1]" 1
114 1 9 ILE MD 1 41 TRP HZ3 . . 4.480 2.499 2.234 2.744 . 0 0 "[ . 1]" 1
115 1 9 ILE HG12 1 10 GLU H . . 5.360 5.425 5.417 5.429 0.069 10 0 "[ . 1]" 1
116 1 9 ILE HG12 1 16 ILE H . . 5.200 4.651 4.591 4.693 . 0 0 "[ . 1]" 1
117 1 9 ILE HG12 1 16 ILE HB . . 4.050 4.014 3.881 4.075 0.025 1 0 "[ . 1]" 1
118 1 9 ILE HG12 1 18 ASN H . . 4.950 3.644 3.566 3.729 . 0 0 "[ . 1]" 1
119 1 9 ILE HG12 1 19 GLY H . . 5.500 5.597 5.582 5.617 0.117 6 0 "[ . 1]" 1
120 1 9 ILE HG12 1 41 TRP HH2 . . 4.590 4.126 3.945 4.328 . 0 0 "[ . 1]" 1
121 1 9 ILE HG12 1 41 TRP HZ3 . . 4.050 2.271 2.245 2.328 . 0 0 "[ . 1]" 1
122 1 9 ILE HG13 1 16 ILE HB . . 4.360 3.975 3.776 4.077 . 0 0 "[ . 1]" 1
123 1 9 ILE HG13 1 41 TRP HH2 . . 4.200 3.763 3.595 3.938 . 0 0 "[ . 1]" 1
124 1 9 ILE HG13 1 41 TRP HZ3 . . 4.610 2.328 2.197 2.430 . 0 0 "[ . 1]" 1
125 1 9 ILE MG 1 10 GLU H . . 3.360 2.804 2.791 2.811 . 0 0 "[ . 1]" 1
126 1 9 ILE MG 1 10 GLU HA . . 4.710 3.938 3.930 3.948 . 0 0 "[ . 1]" 1
127 1 9 ILE MG 1 16 ILE HB . . 4.680 3.407 3.377 3.456 . 0 0 "[ . 1]" 1
128 1 9 ILE MG 1 44 ALA HA . . 5.340 4.089 4.032 4.149 . 0 0 "[ . 1]" 1
129 1 9 ILE MG 1 44 ALA MB . . 3.180 2.291 2.280 2.297 . 0 0 "[ . 1]" 1
130 1 9 ILE N 1 16 ILE O . . 3.000 2.771 2.753 2.805 . 0 0 "[ . 1]" 1
131 1 9 ILE O 1 16 ILE H . . 2.000 1.794 1.781 1.805 . 0 0 "[ . 1]" 1
132 1 9 ILE O 1 16 ILE N . . 3.000 2.783 2.778 2.788 . 0 0 "[ . 1]" 1
133 1 10 GLU H 1 10 GLU HG2 . . 3.620 2.453 2.430 2.496 . 0 0 "[ . 1]" 1
134 1 10 GLU H 1 10 GLU HG3 . . 4.000 3.380 3.369 3.389 . 0 0 "[ . 1]" 1
135 1 10 GLU H 1 11 PHE H . . 5.120 4.483 4.459 4.502 . 0 0 "[ . 1]" 1
136 1 10 GLU H 1 15 VAL MG1 . . 4.740 3.967 3.954 3.984 . 0 0 "[ . 1]" 1
137 1 10 GLU H 1 16 ILE H . . 5.130 4.899 4.878 4.914 . 0 0 "[ . 1]" 1
138 1 10 GLU HA 1 11 PHE H . . 3.010 2.131 2.095 2.153 . 0 0 "[ . 1]" 1
139 1 10 GLU HA 1 11 PHE QD . . 4.460 3.301 3.226 3.371 . 0 0 "[ . 1]" 1
140 1 10 GLU HA 1 15 VAL HA . . 3.500 2.440 2.419 2.470 . 0 0 "[ . 1]" 1
141 1 10 GLU HA 1 15 VAL HB . . 5.500 5.170 5.149 5.197 . 0 0 "[ . 1]" 1
142 1 10 GLU HA 1 15 VAL MG1 . . 3.660 3.049 3.034 3.062 . 0 0 "[ . 1]" 1
143 1 10 GLU HA 1 15 VAL MG2 . . 4.140 3.223 3.198 3.269 . 0 0 "[ . 1]" 1
144 1 10 GLU HA 1 16 ILE H . . 3.890 3.391 3.366 3.416 . 0 0 "[ . 1]" 1
145 1 10 GLU HA 1 16 ILE HB . . 5.500 4.654 4.589 4.760 . 0 0 "[ . 1]" 1
146 1 10 GLU HB2 1 15 VAL HA . . 4.640 3.708 3.676 3.740 . 0 0 "[ . 1]" 1
147 1 10 GLU HB2 1 15 VAL MG1 . . 4.040 3.418 3.413 3.425 . 0 0 "[ . 1]" 1
148 1 10 GLU HB2 1 15 VAL MG2 . . 3.630 2.517 2.486 2.545 . 0 0 "[ . 1]" 1
149 1 10 GLU HB3 1 11 PHE H . . 3.730 3.841 3.829 3.852 0.122 2 0 "[ . 1]" 1
150 1 10 GLU HG3 1 11 PHE H . . 4.370 3.930 3.890 3.985 . 0 0 "[ . 1]" 1
151 1 10 GLU HG3 1 11 PHE HA . . 4.280 4.299 4.288 4.311 0.031 2 0 "[ . 1]" 1
152 1 10 GLU HG3 1 12 ASP H . . 5.500 5.267 5.237 5.305 . 0 0 "[ . 1]" 1
153 1 11 PHE H 1 11 PHE HB2 . . 3.930 3.036 2.975 3.075 . 0 0 "[ . 1]" 1
154 1 11 PHE H 1 11 PHE HB3 . . 4.110 3.895 3.860 3.910 . 0 0 "[ . 1]" 1
155 1 11 PHE H 1 11 PHE QD . . 3.780 2.483 2.453 2.513 . 0 0 "[ . 1]" 1
156 1 11 PHE H 1 11 PHE QE . . 4.840 4.013 3.977 4.029 . 0 0 "[ . 1]" 1
157 1 11 PHE H 1 14 LEU H . . 3.890 3.749 3.688 3.855 . 0 0 "[ . 1]" 1
158 1 11 PHE H 1 14 LEU MD2 . . 5.040 4.306 4.298 4.321 . 0 0 "[ . 1]" 1
159 1 11 PHE H 1 15 VAL MG2 . . 4.480 3.834 3.824 3.841 . 0 0 "[ . 1]" 1
160 1 11 PHE HA 1 11 PHE QD . . 3.870 3.072 3.017 3.098 . 0 0 "[ . 1]" 1
161 1 11 PHE HA 1 11 PHE QE . . 5.380 4.825 4.801 4.840 . 0 0 "[ . 1]" 1
162 1 11 PHE HA 1 12 ASP HA . . 4.920 4.662 4.651 4.676 . 0 0 "[ . 1]" 1
163 1 11 PHE HB2 1 11 PHE QD . . 3.420 2.378 2.339 2.417 . 0 0 "[ . 1]" 1
164 1 11 PHE HB2 1 12 ASP H . . 4.360 2.729 2.591 2.781 . 0 0 "[ . 1]" 1
165 1 11 PHE HB2 1 14 LEU HB2 . . 4.720 4.649 4.608 4.669 . 0 0 "[ . 1]" 1
166 1 11 PHE HB2 1 14 LEU HB3 . . 5.500 3.175 3.130 3.199 . 0 0 "[ . 1]" 1
167 1 11 PHE HB2 1 14 LEU MD2 . . 4.430 3.329 3.281 3.389 . 0 0 "[ . 1]" 1
168 1 11 PHE HB3 1 12 ASP H . . 4.260 4.025 3.917 4.067 . 0 0 "[ . 1]" 1
169 1 11 PHE HB3 1 14 LEU MD2 . . 5.150 4.368 4.338 4.385 . 0 0 "[ . 1]" 1
170 1 11 PHE HB3 1 47 ALA MB . . 5.190 4.438 4.414 4.455 . 0 0 "[ . 1]" 1
171 1 11 PHE QD 1 12 ASP H . . 4.090 3.345 3.282 3.374 . 0 0 "[ . 1]" 1
172 1 11 PHE QD 1 12 ASP HB2 . . 5.500 4.925 4.894 4.986 . 0 0 "[ . 1]" 1
173 1 11 PHE QD 1 12 ASP HB3 . . 5.500 4.899 4.713 4.930 . 0 0 "[ . 1]" 1
174 1 11 PHE QD 1 13 ASP H . . 5.500 4.932 4.916 4.947 . 0 0 "[ . 1]" 1
175 1 11 PHE QD 1 14 LEU H . . 4.770 3.642 3.617 3.665 . 0 0 "[ . 1]" 1
176 1 11 PHE QD 1 14 LEU HA . . 5.500 4.465 4.415 4.508 . 0 0 "[ . 1]" 1
177 1 11 PHE QD 1 14 LEU HB2 . . 4.000 3.645 3.637 3.653 . 0 0 "[ . 1]" 1
178 1 11 PHE QD 1 14 LEU HB3 . . 5.110 2.034 2.025 2.048 . 0 0 "[ . 1]" 1
179 1 11 PHE QD 1 14 LEU MD2 . . 3.610 2.039 2.012 2.073 . 0 0 "[ . 1]" 1
180 1 11 PHE QD 1 14 LEU HG . . 4.950 2.783 2.722 2.830 . 0 0 "[ . 1]" 1
181 1 11 PHE QD 1 16 ILE H . . 5.410 4.513 4.475 4.547 . 0 0 "[ . 1]" 1
182 1 11 PHE QD 1 16 ILE HB . . 5.340 4.786 4.753 4.824 . 0 0 "[ . 1]" 1
183 1 11 PHE QD 1 44 ALA MB . . 4.980 3.722 3.709 3.742 . 0 0 "[ . 1]" 1
184 1 11 PHE QD 1 47 ALA MB . . 4.020 3.010 2.989 3.032 . 0 0 "[ . 1]" 1
185 1 11 PHE QD 1 83 ILE HB . . 5.500 5.035 5.021 5.045 . 0 0 "[ . 1]" 1
186 1 11 PHE QD 1 103 PHE QE . . 4.070 2.663 2.587 2.738 . 0 0 "[ . 1]" 1
187 1 11 PHE QD 1 103 PHE HZ . . 4.150 3.312 3.250 3.423 . 0 0 "[ . 1]" 1
188 1 11 PHE QE 1 14 LEU MD2 . . 4.200 2.569 2.522 2.598 . 0 0 "[ . 1]" 1
189 1 11 PHE QE 1 15 VAL H . . 5.450 4.584 4.534 4.612 . 0 0 "[ . 1]" 1
190 1 11 PHE QE 1 16 ILE H . . 5.290 2.661 2.645 2.705 . 0 0 "[ . 1]" 1
191 1 11 PHE QE 1 16 ILE HB . . 5.290 2.488 2.448 2.536 . 0 0 "[ . 1]" 1
192 1 11 PHE QE 1 16 ILE MD . . 3.720 2.738 2.706 2.765 . 0 0 "[ . 1]" 1
193 1 11 PHE QE 1 40 LEU MD2 . . 5.340 4.008 3.989 4.021 . 0 0 "[ . 1]" 1
194 1 11 PHE QE 1 44 ALA HA . . 4.660 2.867 2.836 2.905 . 0 0 "[ . 1]" 1
195 1 11 PHE QE 1 44 ALA MB . . 3.550 2.191 2.158 2.207 . 0 0 "[ . 1]" 1
196 1 11 PHE QE 1 45 SER H . . 5.500 4.823 4.764 4.854 . 0 0 "[ . 1]" 1
197 1 11 PHE QE 1 45 SER HA . . 5.290 4.712 4.640 4.740 . 0 0 "[ . 1]" 1
198 1 11 PHE QE 1 47 ALA MB . . 4.110 3.084 3.061 3.103 . 0 0 "[ . 1]" 1
199 1 11 PHE QE 1 103 PHE QE . . 5.440 4.040 3.984 4.077 . 0 0 "[ . 1]" 1
200 1 11 PHE QE 1 103 PHE HZ . . 4.830 4.142 4.092 4.210 . 0 0 "[ . 1]" 1
201 1 12 ASP H 1 12 ASP HB2 . . 4.100 3.103 3.084 3.122 . 0 0 "[ . 1]" 1
202 1 12 ASP H 1 14 LEU H . . 3.950 2.479 2.439 2.520 . 0 0 "[ . 1]" 1
203 1 12 ASP H 1 14 LEU MD2 . . 5.500 4.618 4.606 4.626 . 0 0 "[ . 1]" 1
204 1 12 ASP HA 1 12 ASP HB2 . . 3.030 2.565 2.526 2.578 . 0 0 "[ . 1]" 1
205 1 12 ASP HA 1 14 LEU H . . 5.080 4.619 4.584 4.642 . 0 0 "[ . 1]" 1
206 1 12 ASP HB3 1 13 ASP H . . 2.730 1.829 1.809 1.849 . 0 0 "[ . 1]" 1
207 1 13 ASP H 1 14 LEU H . . 3.330 1.794 1.777 1.840 . 0 0 "[ . 1]" 1
208 1 13 ASP H 1 14 LEU HA . . 4.980 4.481 4.446 4.554 . 0 0 "[ . 1]" 1
209 1 13 ASP H 1 14 LEU HB2 . . 4.440 3.806 3.757 3.888 . 0 0 "[ . 1]" 1
210 1 13 ASP H 1 14 LEU HB3 . . 4.510 3.619 3.595 3.669 . 0 0 "[ . 1]" 1
211 1 13 ASP H 1 25 LEU MD1 . . 4.740 3.519 3.484 3.584 . 0 0 "[ . 1]" 1
212 1 13 ASP HB2 1 14 LEU H . . 4.970 4.105 3.262 4.281 . 0 0 "[ . 1]" 1
213 1 13 ASP HB3 1 14 LEU H . . 4.930 3.750 3.651 4.152 . 0 0 "[ . 1]" 1
214 1 13 ASP HB3 1 25 LEU MD1 . . 3.510 2.806 2.518 2.950 . 0 0 "[ . 1]" 1
215 1 14 LEU H 1 14 LEU HB2 . . 3.370 2.618 2.544 2.653 . 0 0 "[ . 1]" 1
216 1 14 LEU H 1 14 LEU HB3 . . 3.360 2.205 2.199 2.215 . 0 0 "[ . 1]" 1
217 1 14 LEU H 1 14 LEU MD1 . . 4.900 4.165 4.137 4.175 . 0 0 "[ . 1]" 1
218 1 14 LEU H 1 14 LEU MD2 . . 5.140 4.056 4.009 4.094 . 0 0 "[ . 1]" 1
219 1 14 LEU H 1 15 VAL H . . 4.960 4.447 4.429 4.474 . 0 0 "[ . 1]" 1
220 1 14 LEU H 1 25 LEU MD1 . . 4.080 3.027 2.944 3.069 . 0 0 "[ . 1]" 1
221 1 14 LEU HA 1 14 LEU MD1 . . 3.210 2.356 2.332 2.384 . 0 0 "[ . 1]" 1
222 1 14 LEU HA 1 15 VAL H . . 3.130 2.060 2.044 2.072 . 0 0 "[ . 1]" 1
223 1 14 LEU HA 1 15 VAL MG2 . . 4.170 3.546 3.537 3.556 . 0 0 "[ . 1]" 1
224 1 14 LEU HA 1 25 LEU HA . . 3.660 2.202 2.191 2.219 . 0 0 "[ . 1]" 1
225 1 14 LEU HA 1 25 LEU HB2 . . 5.170 3.397 3.358 3.438 . 0 0 "[ . 1]" 1
226 1 14 LEU HA 1 25 LEU HB3 . . 4.740 4.686 4.651 4.725 . 0 0 "[ . 1]" 1
227 1 14 LEU HA 1 25 LEU MD1 . . 3.250 2.403 2.363 2.483 . 0 0 "[ . 1]" 1
228 1 14 LEU HA 1 25 LEU HG . . 5.130 4.017 4.003 4.041 . 0 0 "[ . 1]" 1
229 1 14 LEU HB2 1 14 LEU MD1 . . 3.300 2.195 2.178 2.213 . 0 0 "[ . 1]" 1
230 1 14 LEU HB2 1 14 LEU MD2 . . 3.570 2.487 2.471 2.505 . 0 0 "[ . 1]" 1
231 1 14 LEU HB2 1 25 LEU HA . . 5.500 4.195 4.149 4.241 . 0 0 "[ . 1]" 1
232 1 14 LEU HB2 1 25 LEU MD1 . . 4.110 2.182 2.170 2.191 . 0 0 "[ . 1]" 1
233 1 14 LEU HB3 1 14 LEU MD2 . . 3.660 2.205 2.170 2.233 . 0 0 "[ . 1]" 1
234 1 14 LEU HB3 1 25 LEU MD1 . . 4.170 3.474 3.459 3.481 . 0 0 "[ . 1]" 1
235 1 14 LEU MD1 1 15 VAL H . . 3.370 2.573 2.555 2.613 . 0 0 "[ . 1]" 1
236 1 14 LEU MD1 1 16 ILE HG13 . . 3.600 3.060 3.051 3.076 . 0 0 "[ . 1]" 1
237 1 14 LEU MD1 1 23 VAL HB . . 4.280 3.273 3.239 3.322 . 0 0 "[ . 1]" 1
238 1 14 LEU MD1 1 23 VAL MG2 . . 2.560 1.822 1.808 1.831 . 0 0 "[ . 1]" 1
239 1 14 LEU MD1 1 25 LEU HA . . 3.740 3.129 3.119 3.140 . 0 0 "[ . 1]" 1
240 1 14 LEU MD1 1 25 LEU HB2 . . 3.700 2.460 2.424 2.487 . 0 0 "[ . 1]" 1
241 1 14 LEU MD1 1 25 LEU MD1 . . 2.890 2.076 2.069 2.083 . 0 0 "[ . 1]" 1
242 1 14 LEU MD1 1 30 VAL HB . . 5.070 4.272 4.264 4.282 . 0 0 "[ . 1]" 1
243 1 14 LEU MD1 1 30 VAL MG2 . . 4.180 2.732 2.706 2.755 . 0 0 "[ . 1]" 1
244 1 14 LEU MD1 1 32 PHE QD . . 4.870 3.709 3.691 3.728 . 0 0 "[ . 1]" 1
245 1 14 LEU MD1 1 32 PHE QE . . 3.640 2.386 2.349 2.427 . 0 0 "[ . 1]" 1
246 1 14 LEU MD1 1 40 LEU MD1 . . 4.110 2.742 2.697 2.834 . 0 0 "[ . 1]" 1
247 1 14 LEU MD1 1 83 ILE HA . . 3.870 2.385 2.353 2.443 . 0 0 "[ . 1]" 1
248 1 14 LEU MD1 1 83 ILE HB . . 4.180 2.670 2.647 2.686 . 0 0 "[ . 1]" 1
249 1 14 LEU MD2 1 16 ILE H . . 5.500 4.584 4.559 4.606 . 0 0 "[ . 1]" 1
250 1 14 LEU MD2 1 16 ILE MD . . 3.180 2.219 2.207 2.242 . 0 0 "[ . 1]" 1
251 1 14 LEU MD2 1 40 LEU MD1 . . 3.330 2.333 2.323 2.354 . 0 0 "[ . 1]" 1
252 1 14 LEU MD2 1 83 ILE HA . . 4.620 3.651 3.623 3.698 . 0 0 "[ . 1]" 1
253 1 14 LEU MD2 1 83 ILE HB . . 4.040 2.059 2.035 2.080 . 0 0 "[ . 1]" 1
254 1 14 LEU MD2 1 103 PHE QE . . 4.460 2.980 2.935 3.022 . 0 0 "[ . 1]" 1
255 1 14 LEU MD2 1 103 PHE HZ . . 3.650 2.079 2.064 2.106 . 0 0 "[ . 1]" 1
256 1 14 LEU HG 1 15 VAL H . . 4.190 2.954 2.935 2.980 . 0 0 "[ . 1]" 1
257 1 14 LEU HG 1 16 ILE H . . 5.500 3.733 3.702 3.784 . 0 0 "[ . 1]" 1
258 1 14 LEU HG 1 16 ILE MD . . 4.260 3.589 3.572 3.605 . 0 0 "[ . 1]" 1
259 1 14 LEU HG 1 23 VAL MG2 . . 4.120 3.434 3.397 3.444 . 0 0 "[ . 1]" 1
260 1 14 LEU HG 1 25 LEU MD1 . . 5.500 4.191 4.168 4.229 . 0 0 "[ . 1]" 1
261 1 15 VAL H 1 15 VAL HB . . 3.600 3.028 3.019 3.035 . 0 0 "[ . 1]" 1
262 1 15 VAL H 1 15 VAL MG2 . . 3.140 2.633 2.628 2.637 . 0 0 "[ . 1]" 1
263 1 15 VAL H 1 24 THR HB . . 4.910 3.489 3.466 3.539 . 0 0 "[ . 1]" 1
264 1 15 VAL H 1 24 THR O . . 2.000 1.793 1.784 1.800 . 0 0 "[ . 1]" 1
265 1 15 VAL H 1 25 LEU HG . . 5.500 5.625 5.616 5.646 0.146 8 0 "[ . 1]" 1
266 1 15 VAL H 1 26 ASN H . . 4.980 4.625 4.538 4.725 . 0 0 "[ . 1]" 1
267 1 15 VAL HA 1 15 VAL MG1 . . 3.050 2.205 2.197 2.216 . 0 0 "[ . 1]" 1
268 1 15 VAL HA 1 15 VAL MG2 . . 3.400 2.488 2.485 2.493 . 0 0 "[ . 1]" 1
269 1 15 VAL HB 1 16 ILE H . . 4.170 4.030 3.968 4.059 . 0 0 "[ . 1]" 1
270 1 15 VAL HB 1 23 VAL HA . . 5.500 4.792 4.651 4.876 . 0 0 "[ . 1]" 1
271 1 15 VAL HB 1 24 THR H . . 3.910 3.349 3.249 3.407 . 0 0 "[ . 1]" 1
272 1 15 VAL HB 1 24 THR HA . . 5.500 5.358 5.335 5.390 . 0 0 "[ . 1]" 1
273 1 15 VAL HB 1 24 THR HB . . 3.760 2.912 2.862 3.012 . 0 0 "[ . 1]" 1
274 1 15 VAL MG1 1 16 ILE H . . 3.180 2.624 2.527 2.660 . 0 0 "[ . 1]" 1
275 1 15 VAL MG1 1 17 ASP HA . . 4.900 4.120 3.954 4.197 . 0 0 "[ . 1]" 1
276 1 15 VAL MG1 1 17 ASP HB2 . . 5.420 3.951 3.620 4.624 . 0 0 "[ . 1]" 1
277 1 15 VAL MG2 1 24 THR HB . . 3.770 3.218 3.206 3.230 . 0 0 "[ . 1]" 1
278 1 15 VAL N 1 24 THR O . . 3.000 2.800 2.791 2.808 . 0 0 "[ . 1]" 1
279 1 15 VAL O 1 24 THR H . . 2.000 1.828 1.810 1.850 . 0 0 "[ . 1]" 1
280 1 15 VAL O 1 24 THR N . . 3.000 2.829 2.818 2.843 . 0 0 "[ . 1]" 1
281 1 16 ILE H 1 16 ILE HB . . 3.690 2.156 2.098 2.249 . 0 0 "[ . 1]" 1
282 1 16 ILE HA 1 23 VAL HB . . 5.500 1.978 1.963 1.990 . 0 0 "[ . 1]" 1
283 1 16 ILE HA 1 23 VAL MG1 . . 4.010 2.530 2.391 2.808 . 0 0 "[ . 1]" 1
284 1 16 ILE HA 1 40 LEU MD1 . . 5.500 4.625 4.607 4.652 . 0 0 "[ . 1]" 1
285 1 16 ILE HB 1 16 ILE MD . . 3.690 2.456 2.397 2.505 . 0 0 "[ . 1]" 1
286 1 16 ILE HB 1 17 ASP H . . 4.490 4.326 4.268 4.423 . 0 0 "[ . 1]" 1
287 1 16 ILE HB 1 23 VAL HA . . 5.500 5.580 5.549 5.596 0.096 8 0 "[ . 1]" 1
288 1 16 ILE HB 1 44 ALA MB . . 4.360 3.465 3.441 3.497 . 0 0 "[ . 1]" 1
289 1 16 ILE MD 1 16 ILE MG . . 3.320 2.086 2.046 2.154 . 0 0 "[ . 1]" 1
290 1 16 ILE MD 1 37 TYR QD . . 4.550 3.477 3.463 3.517 . 0 0 "[ . 1]" 1
291 1 16 ILE MD 1 40 LEU HB2 . . 4.970 4.050 3.938 4.159 . 0 0 "[ . 1]" 1
292 1 16 ILE MD 1 40 LEU MD1 . . 3.180 1.951 1.905 1.973 . 0 0 "[ . 1]" 1
293 1 16 ILE MD 1 40 LEU HG . . 4.260 3.611 3.601 3.623 . 0 0 "[ . 1]" 1
294 1 16 ILE MD 1 41 TRP HA . . 4.240 2.771 2.741 2.796 . 0 0 "[ . 1]" 1
295 1 16 ILE MD 1 41 TRP HB3 . . 5.500 4.633 4.608 4.683 . 0 0 "[ . 1]" 1
296 1 16 ILE MD 1 44 ALA H . . 4.510 3.818 3.784 3.836 . 0 0 "[ . 1]" 1
297 1 16 ILE MD 1 44 ALA HA . . 5.140 4.297 4.283 4.311 . 0 0 "[ . 1]" 1
298 1 16 ILE MD 1 44 ALA MB . . 2.910 2.042 2.035 2.050 . 0 0 "[ . 1]" 1
299 1 16 ILE MD 1 103 PHE QE . . 5.110 3.855 3.840 3.873 . 0 0 "[ . 1]" 1
300 1 16 ILE HG12 1 23 VAL HA . . 4.820 4.183 4.043 4.291 . 0 0 "[ . 1]" 1
301 1 16 ILE HG12 1 23 VAL MG1 . . 3.830 2.034 1.982 2.110 . 0 0 "[ . 1]" 1
302 1 16 ILE HG12 1 41 TRP HA . . 5.500 4.766 4.695 4.865 . 0 0 "[ . 1]" 1
303 1 16 ILE MG 1 17 ASP H . . 4.210 2.702 2.584 2.839 . 0 0 "[ . 1]" 1
304 1 16 ILE MG 1 18 ASN H . . 5.270 3.753 3.460 3.931 . 0 0 "[ . 1]" 1
305 1 16 ILE MG 1 37 TYR QE . . 3.570 2.010 1.979 2.038 . 0 0 "[ . 1]" 1
306 1 16 ILE MG 1 41 TRP HA . . 4.360 2.389 2.258 2.560 . 0 0 "[ . 1]" 1
307 1 17 ASP H 1 17 ASP HB2 . . 3.730 2.629 2.252 2.814 . 0 0 "[ . 1]" 1
308 1 17 ASP H 1 17 ASP HB3 . . 3.890 2.860 2.558 3.540 . 0 0 "[ . 1]" 1
309 1 17 ASP H 1 18 ASN HA . . 4.970 4.830 4.789 4.865 . 0 0 "[ . 1]" 1
310 1 17 ASP H 1 22 SER H . . 3.790 3.486 3.392 3.607 . 0 0 "[ . 1]" 1
311 1 17 ASP H 1 37 TYR QE . . 5.500 3.438 2.846 4.077 . 0 0 "[ . 1]" 1
312 1 17 ASP HA 1 18 ASN H . . 3.410 2.287 2.226 2.333 . 0 0 "[ . 1]" 1
313 1 17 ASP HA 1 19 GLY H . . 4.080 3.164 2.978 3.256 . 0 0 "[ . 1]" 1
314 1 17 ASP HA 1 22 SER H . . 5.210 4.860 4.799 4.971 . 0 0 "[ . 1]" 1
315 1 17 ASP HB2 1 18 ASN H . . 4.800 4.657 4.618 4.692 . 0 0 "[ . 1]" 1
316 1 17 ASP HB2 1 22 SER H . . 4.260 4.080 3.468 4.334 0.074 9 0 "[ . 1]" 1
317 1 17 ASP HB2 1 23 VAL MG1 . . 5.500 4.694 4.613 4.736 . 0 0 "[ . 1]" 1
318 1 17 ASP HB3 1 18 ASN H . . 4.750 4.331 4.029 4.464 . 0 0 "[ . 1]" 1
319 1 17 ASP HB3 1 20 GLY H . . 4.890 3.310 2.662 3.658 . 0 0 "[ . 1]" 1
320 1 17 ASP O 1 22 SER H . . 2.000 2.013 1.975 2.039 0.039 5 0 "[ . 1]" 1
321 1 17 ASP O 1 22 SER N . . 3.000 2.994 2.942 3.018 0.018 2 0 "[ . 1]" 1
322 1 18 ASN H 1 18 ASN HB2 . . 3.770 2.719 2.628 2.819 . 0 0 "[ . 1]" 1
323 1 18 ASN H 1 18 ASN HB3 . . 3.850 2.456 2.319 2.577 . 0 0 "[ . 1]" 1
324 1 18 ASN H 1 19 GLY H . . 3.560 2.271 2.229 2.309 . 0 0 "[ . 1]" 1
325 1 18 ASN H 1 19 GLY HA3 . . 4.940 4.561 4.527 4.598 . 0 0 "[ . 1]" 1
326 1 18 ASN H 1 20 GLY H . . 5.050 4.058 3.949 4.152 . 0 0 "[ . 1]" 1
327 1 18 ASN H 1 21 ARG H . . 4.820 4.582 4.403 4.747 . 0 0 "[ . 1]" 1
328 1 18 ASN H 1 41 TRP HH2 . . 5.500 4.723 4.369 5.261 . 0 0 "[ . 1]" 1
329 1 18 ASN H 1 41 TRP HZ3 . . 5.060 3.014 2.713 3.500 . 0 0 "[ . 1]" 1
330 1 18 ASN HA 1 20 GLY H . . 4.910 3.576 3.462 3.669 . 0 0 "[ . 1]" 1
331 1 18 ASN HA 1 21 ARG H . . 3.960 2.577 2.497 2.641 . 0 0 "[ . 1]" 1
332 1 18 ASN HA 1 21 ARG HA . . 4.470 2.661 2.493 2.912 . 0 0 "[ . 1]" 1
333 1 18 ASN HA 1 22 SER H . . 4.240 3.898 3.633 4.108 . 0 0 "[ . 1]" 1
334 1 18 ASN HA 1 37 TYR QE . . 4.300 3.811 3.717 3.875 . 0 0 "[ . 1]" 1
335 1 18 ASN HB2 1 19 GLY H . . 4.150 4.166 4.150 4.202 0.052 5 0 "[ . 1]" 1
336 1 18 ASN HB2 1 20 GLY H . . 5.500 5.521 5.460 5.558 0.058 3 0 "[ . 1]" 1
337 1 18 ASN HB2 1 41 TRP HH2 . . 4.640 3.563 3.339 3.771 . 0 0 "[ . 1]" 1
338 1 18 ASN HB2 1 41 TRP HZ2 . . 4.780 4.472 4.291 4.775 . 0 0 "[ . 1]" 1
339 1 18 ASN HB2 1 41 TRP HZ3 . . 5.450 2.665 2.467 2.816 . 0 0 "[ . 1]" 1
340 1 18 ASN HB3 1 41 TRP HH2 . . 4.890 3.361 3.175 3.488 . 0 0 "[ . 1]" 1
341 1 18 ASN HB3 1 41 TRP HZ2 . . 5.040 4.834 4.577 5.057 0.017 6 0 "[ . 1]" 1
342 1 19 GLY H 1 20 GLY H . . 3.870 2.672 2.608 2.786 . 0 0 "[ . 1]" 1
343 1 19 GLY H 1 20 GLY HA3 . . 5.360 5.131 5.033 5.244 . 0 0 "[ . 1]" 1
344 1 19 GLY H 1 21 ARG H . . 4.350 3.909 3.780 4.038 . 0 0 "[ . 1]" 1
345 1 19 GLY H 1 21 ARG HA . . 5.500 5.442 5.318 5.511 0.011 6 0 "[ . 1]" 1
346 1 19 GLY H 1 41 TRP HZ3 . . 5.450 5.067 4.803 5.399 . 0 0 "[ . 1]" 1
347 1 19 GLY HA3 1 21 ARG H . . 4.670 4.759 4.691 4.877 0.207 8 0 "[ . 1]" 1
348 1 20 GLY H 1 21 ARG H . . 3.890 2.149 2.040 2.214 . 0 0 "[ . 1]" 1
349 1 20 GLY H 1 21 ARG HA . . 5.350 4.178 4.054 4.306 . 0 0 "[ . 1]" 1
350 1 20 GLY H 1 21 ARG HB2 . . 5.500 5.417 5.303 5.507 0.007 10 0 "[ . 1]" 1
351 1 20 GLY H 1 21 ARG HG2 . . 5.500 5.209 4.555 5.513 0.013 7 0 "[ . 1]" 1
352 1 20 GLY H 1 22 SER H . . 4.500 3.584 3.397 3.779 . 0 0 "[ . 1]" 1
353 1 21 ARG H 1 21 ARG HD2 . . 5.500 4.846 3.365 5.454 . 0 0 "[ . 1]" 1
354 1 21 ARG H 1 21 ARG HD3 . . 5.500 4.969 4.290 5.298 . 0 0 "[ . 1]" 1
355 1 21 ARG H 1 21 ARG HG2 . . 4.770 3.206 2.650 3.532 . 0 0 "[ . 1]" 1
356 1 21 ARG H 1 22 SER H . . 3.470 2.887 2.693 3.022 . 0 0 "[ . 1]" 1
357 1 21 ARG H 1 37 TYR QE . . 5.320 4.744 4.667 4.782 . 0 0 "[ . 1]" 1
358 1 21 ARG HA 1 21 ARG HD2 . . 5.150 4.101 2.233 4.802 . 0 0 "[ . 1]" 1
359 1 21 ARG HA 1 21 ARG HD3 . . 5.500 4.433 3.790 4.751 . 0 0 "[ . 1]" 1
360 1 21 ARG HA 1 21 ARG HG2 . . 4.090 2.559 2.251 3.048 . 0 0 "[ . 1]" 1
361 1 21 ARG HA 1 22 SER H . . 3.320 2.582 2.419 2.647 . 0 0 "[ . 1]" 1
362 1 21 ARG HA 1 37 TYR QD . . 5.160 4.239 4.043 4.438 . 0 0 "[ . 1]" 1
363 1 21 ARG HA 1 37 TYR QE . . 3.790 2.940 2.632 3.239 . 0 0 "[ . 1]" 1
364 1 21 ARG HB2 1 22 SER H . . 4.390 4.429 4.403 4.462 0.072 5 0 "[ . 1]" 1
365 1 21 ARG HB3 1 22 SER H . . 4.620 4.432 4.372 4.480 . 0 0 "[ . 1]" 1
366 1 22 SER H 1 22 SER HB2 . . 3.950 3.439 2.836 3.949 . 0 0 "[ . 1]" 1
367 1 22 SER H 1 23 VAL H . . 4.550 4.419 4.369 4.497 . 0 0 "[ . 1]" 1
368 1 22 SER H 1 37 TYR QD . . 5.500 4.773 4.665 4.869 . 0 0 "[ . 1]" 1
369 1 22 SER H 1 37 TYR QE . . 4.770 4.147 3.938 4.267 . 0 0 "[ . 1]" 1
370 1 22 SER HA 1 23 VAL HB . . 5.500 5.483 5.378 5.543 0.043 3 0 "[ . 1]" 1
371 1 22 SER HB2 1 23 VAL H . . 3.640 3.204 2.127 3.664 0.024 7 0 "[ . 1]" 1
372 1 23 VAL H 1 23 VAL MG1 . . 3.620 2.741 2.675 2.787 . 0 0 "[ . 1]" 1
373 1 23 VAL HA 1 23 VAL MG1 . . 3.200 2.773 2.756 2.809 . 0 0 "[ . 1]" 1
374 1 23 VAL HA 1 24 THR H . . 3.050 2.193 2.178 2.208 . 0 0 "[ . 1]" 1
375 1 23 VAL HB 1 24 THR HA . . 5.500 5.224 5.171 5.301 . 0 0 "[ . 1]" 1
376 1 23 VAL HB 1 32 PHE QD . . 4.510 3.882 3.859 3.916 . 0 0 "[ . 1]" 1
377 1 23 VAL HB 1 32 PHE QE . . 5.260 4.565 4.539 4.586 . 0 0 "[ . 1]" 1
378 1 23 VAL MG1 1 32 PHE QD . . 3.730 2.082 2.033 2.114 . 0 0 "[ . 1]" 1
379 1 23 VAL MG1 1 32 PHE QE . . 4.390 3.350 3.340 3.369 . 0 0 "[ . 1]" 1
380 1 23 VAL MG1 1 37 TYR HA . . 4.810 3.477 3.379 3.695 . 0 0 "[ . 1]" 1
381 1 23 VAL MG1 1 37 TYR QD . . 3.450 2.374 2.310 2.458 . 0 0 "[ . 1]" 1
382 1 23 VAL MG1 1 37 TYR QE . . 4.550 3.411 3.328 3.438 . 0 0 "[ . 1]" 1
383 1 23 VAL MG2 1 24 THR H . . 3.040 2.557 2.545 2.567 . 0 0 "[ . 1]" 1
384 1 23 VAL MG2 1 30 VAL HB . . 4.350 1.987 1.964 2.004 . 0 0 "[ . 1]" 1
385 1 23 VAL MG2 1 32 PHE QD . . 3.940 1.959 1.943 1.973 . 0 0 "[ . 1]" 1
386 1 23 VAL MG2 1 32 PHE QE . . 3.360 2.133 2.111 2.147 . 0 0 "[ . 1]" 1
387 1 23 VAL O 1 31 ASP H . . 2.000 2.070 2.059 2.078 0.078 7 0 "[ . 1]" 1
388 1 23 VAL O 1 31 ASP N . . 3.000 3.078 3.067 3.087 0.087 9 0 "[ . 1]" 1
389 1 24 THR H 1 24 THR HB . . 4.030 2.947 2.936 2.960 . 0 0 "[ . 1]" 1
390 1 24 THR H 1 29 LEU HA . . 5.310 4.824 4.801 4.839 . 0 0 "[ . 1]" 1
391 1 24 THR HA 1 24 THR MG . . 2.770 2.263 2.253 2.271 . 0 0 "[ . 1]" 1
392 1 24 THR HA 1 25 LEU H . . 3.120 2.322 2.314 2.330 . 0 0 "[ . 1]" 1
393 1 24 THR HA 1 25 LEU HB3 . . 5.500 4.863 4.843 4.882 . 0 0 "[ . 1]" 1
394 1 24 THR HA 1 28 GLU H . . 5.110 4.403 4.386 4.426 . 0 0 "[ . 1]" 1
395 1 24 THR HA 1 29 LEU HA . . 3.590 2.061 2.048 2.073 . 0 0 "[ . 1]" 1
396 1 24 THR HA 1 29 LEU HB3 . . 4.560 4.492 4.476 4.509 . 0 0 "[ . 1]" 1
397 1 24 THR HA 1 29 LEU MD2 . . 4.040 3.396 3.391 3.400 . 0 0 "[ . 1]" 1
398 1 24 THR HA 1 29 LEU HG . . 5.250 4.297 4.283 4.307 . 0 0 "[ . 1]" 1
399 1 24 THR HA 1 30 VAL H . . 3.750 2.130 2.116 2.158 . 0 0 "[ . 1]" 1
400 1 24 THR HA 1 30 VAL HB . . 5.500 4.129 4.114 4.154 . 0 0 "[ . 1]" 1
401 1 24 THR HA 1 30 VAL MG2 . . 4.120 3.287 3.264 3.311 . 0 0 "[ . 1]" 1
402 1 24 THR HB 1 25 LEU H . . 3.730 3.743 3.736 3.756 0.026 3 0 "[ . 1]" 1
403 1 24 THR HB 1 27 GLY HA2 . . 4.300 4.304 4.280 4.312 0.012 10 0 "[ . 1]" 1
404 1 24 THR HB 1 28 GLU H . . 4.440 4.554 4.545 4.561 0.121 10 0 "[ . 1]" 1
405 1 24 THR HB 1 29 LEU H . . 4.940 4.128 4.120 4.133 . 0 0 "[ . 1]" 1
406 1 24 THR HB 1 29 LEU HA . . 5.050 4.587 4.580 4.597 . 0 0 "[ . 1]" 1
407 1 24 THR HB 1 29 LEU HG . . 5.420 5.429 5.425 5.433 0.013 1 0 "[ . 1]" 1
408 1 24 THR HB 1 30 VAL H . . 4.910 4.971 4.959 4.987 0.077 8 0 "[ . 1]" 1
409 1 24 THR MG 1 25 LEU H . . 3.180 2.579 2.563 2.597 . 0 0 "[ . 1]" 1
410 1 24 THR MG 1 27 GLY HA2 . . 3.720 2.511 2.481 2.535 . 0 0 "[ . 1]" 1
411 1 24 THR MG 1 28 GLU H . . 3.540 2.227 2.216 2.250 . 0 0 "[ . 1]" 1
412 1 24 THR MG 1 29 LEU H . . 3.210 1.730 1.720 1.749 . 0 0 "[ . 1]" 1
413 1 24 THR MG 1 29 LEU HA . . 2.750 2.317 2.312 2.324 . 0 0 "[ . 1]" 1
414 1 25 LEU H 1 25 LEU HB3 . . 3.790 2.717 2.697 2.726 . 0 0 "[ . 1]" 1
415 1 25 LEU H 1 25 LEU HG . . 4.440 4.419 4.413 4.433 . 0 0 "[ . 1]" 1
416 1 25 LEU H 1 26 ASN H . . 4.470 4.342 4.327 4.365 . 0 0 "[ . 1]" 1
417 1 25 LEU H 1 28 GLU H . . 3.340 3.165 3.147 3.195 . 0 0 "[ . 1]" 1
418 1 25 LEU H 1 28 GLU HB3 . . 4.530 4.598 4.590 4.609 0.079 2 0 "[ . 1]" 1
419 1 25 LEU H 1 29 LEU HA . . 3.870 3.377 3.346 3.409 . 0 0 "[ . 1]" 1
420 1 25 LEU H 1 29 LEU HG . . 5.150 5.002 4.989 5.017 . 0 0 "[ . 1]" 1
421 1 25 LEU H 1 30 VAL HB . . 4.320 4.384 4.374 4.393 0.073 9 0 "[ . 1]" 1
422 1 25 LEU H 1 30 VAL MG2 . . 3.780 2.447 2.429 2.465 . 0 0 "[ . 1]" 1
423 1 25 LEU HA 1 25 LEU MD1 . . 3.040 2.554 2.542 2.572 . 0 0 "[ . 1]" 1
424 1 25 LEU HA 1 26 ASN H . . 3.200 2.186 2.152 2.235 . 0 0 "[ . 1]" 1
425 1 25 LEU HA 1 26 ASN HB2 . . 5.040 4.526 4.454 4.726 . 0 0 "[ . 1]" 1
426 1 25 LEU HA 1 28 GLU H . . 5.470 4.494 4.465 4.543 . 0 0 "[ . 1]" 1
427 1 25 LEU HB2 1 25 LEU MD2 . . 3.290 2.752 2.746 2.759 . 0 0 "[ . 1]" 1
428 1 25 LEU HB2 1 30 VAL MG2 . . 3.920 2.205 2.193 2.219 . 0 0 "[ . 1]" 1
429 1 25 LEU HB3 1 25 LEU MD1 . . 3.520 3.080 3.073 3.087 . 0 0 "[ . 1]" 1
430 1 25 LEU HB3 1 25 LEU MD2 . . 3.230 2.183 2.172 2.189 . 0 0 "[ . 1]" 1
431 1 25 LEU HB3 1 26 ASN H . . 4.630 4.121 4.104 4.144 . 0 0 "[ . 1]" 1
432 1 25 LEU HB3 1 30 VAL MG2 . . 4.120 2.265 2.243 2.288 . 0 0 "[ . 1]" 1
433 1 25 LEU MD1 1 26 ASN H . . 3.550 2.874 2.829 2.959 . 0 0 "[ . 1]" 1
434 1 25 LEU MD1 1 26 ASN HB3 . . 4.920 4.180 4.164 4.189 . 0 0 "[ . 1]" 1
435 1 25 LEU MD1 1 83 ILE HA . . 3.850 1.935 1.919 1.942 . 0 0 "[ . 1]" 1
436 1 25 LEU MD1 1 84 GLY H . . 3.850 3.289 3.276 3.306 . 0 0 "[ . 1]" 1
437 1 25 LEU MD1 1 84 GLY HA2 . . 4.400 3.727 3.718 3.745 . 0 0 "[ . 1]" 1
438 1 25 LEU MD1 1 85 ASP H . . 5.500 4.619 4.608 4.626 . 0 0 "[ . 1]" 1
439 1 25 LEU MD2 1 26 ASN HA . . 5.500 4.712 4.699 4.735 . 0 0 "[ . 1]" 1
440 1 25 LEU MD2 1 26 ASN HB2 . . 4.150 3.042 3.008 3.164 . 0 0 "[ . 1]" 1
441 1 25 LEU MD2 1 26 ASN HB3 . . 5.210 2.861 2.778 2.918 . 0 0 "[ . 1]" 1
442 1 25 LEU MD2 1 83 ILE HA . . 3.510 2.714 2.686 2.740 . 0 0 "[ . 1]" 1
443 1 25 LEU MD2 1 83 ILE HB . . 5.340 4.551 4.542 4.561 . 0 0 "[ . 1]" 1
444 1 25 LEU MD2 1 84 GLY H . . 4.000 2.440 2.396 2.505 . 0 0 "[ . 1]" 1
445 1 25 LEU MD2 1 84 GLY HA2 . . 4.020 2.703 2.675 2.734 . 0 0 "[ . 1]" 1
446 1 25 LEU HG 1 26 ASN H . . 4.180 2.408 2.371 2.443 . 0 0 "[ . 1]" 1
447 1 25 LEU HG 1 26 ASN HB2 . . 4.500 2.381 2.327 2.590 . 0 0 "[ . 1]" 1
448 1 25 LEU HG 1 26 ASN HB3 . . 4.520 2.665 2.619 2.679 . 0 0 "[ . 1]" 1
449 1 26 ASN H 1 26 ASN HB2 . . 3.830 2.943 2.909 3.044 . 0 0 "[ . 1]" 1
450 1 26 ASN H 1 26 ASN HB3 . . 4.080 3.386 3.306 3.423 . 0 0 "[ . 1]" 1
451 1 26 ASN H 1 27 GLY H . . 3.850 2.792 2.765 2.813 . 0 0 "[ . 1]" 1
452 1 26 ASN H 1 28 GLU H . . 4.640 4.256 4.240 4.273 . 0 0 "[ . 1]" 1
453 1 26 ASN HA 1 27 GLY HA2 . . 5.000 4.871 4.844 4.917 . 0 0 "[ . 1]" 1
454 1 27 GLY H 1 28 GLU H . . 3.350 2.792 2.745 2.823 . 0 0 "[ . 1]" 1
455 1 28 GLU H 1 28 GLU HB2 . . 3.280 2.890 2.875 2.910 . 0 0 "[ . 1]" 1
456 1 28 GLU H 1 28 GLU HB3 . . 3.200 3.048 3.034 3.063 . 0 0 "[ . 1]" 1
457 1 28 GLU H 1 29 LEU H . . 3.800 2.265 2.249 2.282 . 0 0 "[ . 1]" 1
458 1 28 GLU HA 1 28 GLU HG2 . . 3.370 2.515 2.494 2.525 . 0 0 "[ . 1]" 1
459 1 28 GLU HA 1 28 GLU HG3 . . 3.330 2.417 2.407 2.428 . 0 0 "[ . 1]" 1
460 1 28 GLU HG2 1 29 LEU MD1 . . 4.820 4.062 4.059 4.067 . 0 0 "[ . 1]" 1
461 1 28 GLU HG3 1 29 LEU MD1 . . 5.300 4.422 4.417 4.430 . 0 0 "[ . 1]" 1
462 1 29 LEU H 1 30 VAL HA . . 5.230 5.331 5.319 5.343 0.113 9 0 "[ . 1]" 1
463 1 29 LEU HA 1 30 VAL H . . 3.010 2.393 2.361 2.412 . 0 0 "[ . 1]" 1
464 1 30 VAL H 1 30 VAL HB . . 3.490 2.632 2.613 2.640 . 0 0 "[ . 1]" 1
465 1 30 VAL H 1 30 VAL MG2 . . 3.130 2.137 2.124 2.157 . 0 0 "[ . 1]" 1
466 1 30 VAL HA 1 30 VAL MG1 . . 3.040 2.506 2.478 2.519 . 0 0 "[ . 1]" 1
467 1 30 VAL HA 1 31 ASP H . . 3.820 3.528 3.523 3.533 . 0 0 "[ . 1]" 1
468 1 30 VAL HB 1 31 ASP H . . 4.040 2.195 2.178 2.212 . 0 0 "[ . 1]" 1
469 1 30 VAL HB 1 32 PHE QD . . 4.490 2.966 2.868 3.045 . 0 0 "[ . 1]" 1
470 1 30 VAL HB 1 32 PHE QE . . 4.080 3.644 3.630 3.659 . 0 0 "[ . 1]" 1
471 1 30 VAL MG1 1 31 ASP HA . . 4.460 3.805 3.790 3.818 . 0 0 "[ . 1]" 1
472 1 30 VAL MG1 1 31 ASP HB2 . . 4.820 4.121 4.109 4.136 . 0 0 "[ . 1]" 1
473 1 30 VAL MG1 1 32 PHE H . . 4.580 2.951 2.863 3.019 . 0 0 "[ . 1]" 1
474 1 30 VAL MG1 1 32 PHE QD . . 3.950 2.728 2.673 2.765 . 0 0 "[ . 1]" 1
475 1 30 VAL MG1 1 32 PHE QE . . 3.560 2.676 2.666 2.693 . 0 0 "[ . 1]" 1
476 1 30 VAL MG1 1 32 PHE HZ . . 4.050 3.429 3.402 3.458 . 0 0 "[ . 1]" 1
477 1 30 VAL MG1 1 82 LYS HA . . 4.240 3.389 3.340 3.531 . 0 0 "[ . 1]" 1
478 1 30 VAL MG1 1 82 LYS HB2 . . 4.960 3.538 3.514 3.685 . 0 0 "[ . 1]" 1
479 1 30 VAL MG1 1 82 LYS HB3 . . 3.800 2.108 2.084 2.227 . 0 0 "[ . 1]" 1
480 1 30 VAL MG1 1 82 LYS HD2 . . 4.270 2.365 2.145 3.599 . 0 0 "[ . 1]" 1
481 1 30 VAL MG1 1 82 LYS HD3 . . 5.390 3.437 3.164 4.469 . 0 0 "[ . 1]" 1
482 1 30 VAL MG1 1 82 LYS HE2 . . 4.940 4.142 3.953 4.174 . 0 0 "[ . 1]" 1
483 1 30 VAL MG1 1 82 LYS HE3 . . 5.290 3.573 2.813 3.702 . 0 0 "[ . 1]" 1
484 1 30 VAL MG1 1 82 LYS HG2 . . 3.800 2.418 2.259 2.453 . 0 0 "[ . 1]" 1
485 1 30 VAL MG1 1 82 LYS HG3 . . 4.440 3.780 3.729 3.796 . 0 0 "[ . 1]" 1
486 1 30 VAL MG2 1 31 ASP H . . 4.160 3.539 3.529 3.546 . 0 0 "[ . 1]" 1
487 1 30 VAL MG2 1 32 PHE QD . . 4.320 3.265 3.244 3.278 . 0 0 "[ . 1]" 1
488 1 30 VAL MG2 1 32 PHE QE . . 4.250 2.345 2.331 2.363 . 0 0 "[ . 1]" 1
489 1 31 ASP H 1 31 ASP HB2 . . 3.390 3.511 3.497 3.525 0.135 5 0 "[ . 1]" 1
490 1 31 ASP HA 1 32 PHE H . . 2.720 2.229 2.192 2.246 . 0 0 "[ . 1]" 1
491 1 31 ASP HB2 1 32 PHE H . . 4.510 4.445 4.437 4.460 . 0 0 "[ . 1]" 1
492 1 32 PHE H 1 32 PHE HB2 . . 3.490 2.183 2.140 2.207 . 0 0 "[ . 1]" 1
493 1 32 PHE H 1 32 PHE HB3 . . 3.790 3.482 3.452 3.499 . 0 0 "[ . 1]" 1
494 1 32 PHE H 1 32 PHE QD . . 3.970 2.702 2.655 2.742 . 0 0 "[ . 1]" 1
495 1 32 PHE H 1 32 PHE QE . . 5.500 4.743 4.700 4.787 . 0 0 "[ . 1]" 1
496 1 32 PHE HA 1 32 PHE QD . . 4.250 2.888 2.870 2.898 . 0 0 "[ . 1]" 1
497 1 32 PHE HA 1 36 GLU HB3 . . 4.780 4.810 4.795 4.826 0.046 6 0 "[ . 1]" 1
498 1 32 PHE HA 1 82 LYS HE3 . . 4.910 3.435 3.035 3.537 . 0 0 "[ . 1]" 1
499 1 32 PHE HB2 1 33 THR H . . 4.620 3.954 3.916 4.074 . 0 0 "[ . 1]" 1
500 1 32 PHE HB3 1 33 THR H . . 3.980 2.600 2.563 2.775 . 0 0 "[ . 1]" 1
501 1 32 PHE HB3 1 36 GLU H . . 5.320 4.555 4.474 4.720 . 0 0 "[ . 1]" 1
502 1 32 PHE HB3 1 37 TYR HA . . 4.390 3.058 2.932 3.107 . 0 0 "[ . 1]" 1
503 1 32 PHE QD 1 33 THR H . . 4.120 3.035 2.974 3.090 . 0 0 "[ . 1]" 1
504 1 32 PHE QD 1 33 THR MG . . 4.850 3.617 3.605 3.632 . 0 0 "[ . 1]" 1
505 1 32 PHE QD 1 36 GLU HA . . 5.090 4.376 4.327 4.560 . 0 0 "[ . 1]" 1
506 1 32 PHE QD 1 36 GLU HB2 . . 4.830 2.551 2.491 2.747 . 0 0 "[ . 1]" 1
507 1 32 PHE QD 1 36 GLU HB3 . . 4.840 2.221 2.176 2.320 . 0 0 "[ . 1]" 1
508 1 32 PHE QD 1 37 TYR H . . 4.860 4.015 3.826 4.180 . 0 0 "[ . 1]" 1
509 1 32 PHE QD 1 37 TYR HA . . 5.500 4.089 3.914 4.148 . 0 0 "[ . 1]" 1
510 1 32 PHE QD 1 40 LEU MD1 . . 4.850 3.044 3.015 3.062 . 0 0 "[ . 1]" 1
511 1 32 PHE QD 1 79 ILE HA . . 5.140 4.268 4.201 4.328 . 0 0 "[ . 1]" 1
512 1 32 PHE QD 1 79 ILE MD . . 4.720 3.558 3.515 3.597 . 0 0 "[ . 1]" 1
513 1 32 PHE QD 1 79 ILE HG12 . . 5.500 4.821 4.706 4.909 . 0 0 "[ . 1]" 1
514 1 32 PHE QD 1 79 ILE HG13 . . 5.500 3.280 3.165 3.387 . 0 0 "[ . 1]" 1
515 1 32 PHE QD 1 82 LYS HD2 . . 5.500 3.805 3.577 4.896 . 0 0 "[ . 1]" 1
516 1 32 PHE QD 1 82 LYS HD3 . . 5.500 4.809 4.671 5.024 . 0 0 "[ . 1]" 1
517 1 32 PHE QD 1 82 LYS HE2 . . 5.170 3.718 3.019 3.846 . 0 0 "[ . 1]" 1
518 1 32 PHE QD 1 82 LYS HE3 . . 5.380 2.370 2.289 2.669 . 0 0 "[ . 1]" 1
519 1 32 PHE QD 1 83 ILE MG . . 5.500 4.182 4.163 4.199 . 0 0 "[ . 1]" 1
520 1 32 PHE QE 1 40 LEU MD1 . . 4.320 2.686 2.654 2.729 . 0 0 "[ . 1]" 1
521 1 32 PHE QE 1 40 LEU HG . . 5.500 4.230 4.080 4.348 . 0 0 "[ . 1]" 1
522 1 32 PHE QE 1 79 ILE HA . . 4.400 1.943 1.919 1.978 . 0 0 "[ . 1]" 1
523 1 32 PHE QE 1 79 ILE HB . . 5.470 4.174 4.097 4.218 . 0 0 "[ . 1]" 1
524 1 32 PHE QE 1 79 ILE MD . . 4.080 2.875 2.763 3.010 . 0 0 "[ . 1]" 1
525 1 32 PHE QE 1 79 ILE MG . . 3.680 2.804 2.777 2.846 . 0 0 "[ . 1]" 1
526 1 32 PHE QE 1 82 LYS HB2 . . 5.170 2.745 2.637 2.839 . 0 0 "[ . 1]" 1
527 1 32 PHE QE 1 82 LYS HB3 . . 5.240 2.975 2.958 3.004 . 0 0 "[ . 1]" 1
528 1 32 PHE QE 1 82 LYS HD2 . . 5.430 3.657 3.469 4.694 . 0 0 "[ . 1]" 1
529 1 32 PHE QE 1 82 LYS HD3 . . 4.880 4.439 4.159 4.477 . 0 0 "[ . 1]" 1
530 1 32 PHE QE 1 82 LYS HE2 . . 4.520 2.280 1.935 2.403 . 0 0 "[ . 1]" 1
531 1 32 PHE QE 1 82 LYS HE3 . . 5.180 2.186 2.097 2.787 . 0 0 "[ . 1]" 1
532 1 32 PHE QE 1 82 LYS HG3 . . 5.500 4.539 4.456 4.940 . 0 0 "[ . 1]" 1
533 1 32 PHE QE 1 83 ILE HA . . 4.670 4.177 4.165 4.189 . 0 0 "[ . 1]" 1
534 1 32 PHE QE 1 83 ILE HB . . 5.500 4.827 4.810 4.846 . 0 0 "[ . 1]" 1
535 1 32 PHE QE 1 83 ILE MG . . 4.110 2.340 2.313 2.376 . 0 0 "[ . 1]" 1
536 1 32 PHE HZ 1 40 LEU MD1 . . 4.630 3.050 3.013 3.104 . 0 0 "[ . 1]" 1
537 1 32 PHE HZ 1 82 LYS HA . . 4.950 4.371 4.304 4.443 . 0 0 "[ . 1]" 1
538 1 32 PHE HZ 1 82 LYS HD2 . . 5.500 4.311 3.963 5.555 0.055 10 0 "[ . 1]" 1
539 1 32 PHE HZ 1 82 LYS HG3 . . 5.500 4.747 4.686 4.942 . 0 0 "[ . 1]" 1
540 1 32 PHE HZ 1 83 ILE HB . . 5.500 4.784 4.763 4.810 . 0 0 "[ . 1]" 1
541 1 32 PHE HZ 1 83 ILE MG . . 3.370 1.974 1.966 1.985 . 0 0 "[ . 1]" 1
542 1 33 THR H 1 33 THR MG . . 3.350 1.890 1.862 1.924 . 0 0 "[ . 1]" 1
543 1 33 THR H 1 36 GLU H . . 4.420 3.904 3.825 4.101 . 0 0 "[ . 1]" 1
544 1 33 THR H 1 36 GLU HB2 . . 4.170 2.274 2.217 2.429 . 0 0 "[ . 1]" 1
545 1 33 THR H 1 36 GLU HB3 . . 3.960 3.745 3.696 3.825 . 0 0 "[ . 1]" 1
546 1 33 THR H 1 36 GLU HG3 . . 4.990 4.112 3.952 4.290 . 0 0 "[ . 1]" 1
547 1 33 THR HA 1 33 THR HB . . 3.020 2.244 2.227 2.257 . 0 0 "[ . 1]" 1
548 1 33 THR HA 1 33 THR MG . . 3.240 2.727 2.718 2.743 . 0 0 "[ . 1]" 1
549 1 33 THR MG 1 36 GLU HB2 . . 4.310 2.295 2.204 2.383 . 0 0 "[ . 1]" 1
550 1 33 THR MG 1 36 GLU HB3 . . 4.650 3.524 3.419 3.607 . 0 0 "[ . 1]" 1
551 1 33 THR MG 1 36 GLU HG2 . . 4.630 3.865 3.802 3.885 . 0 0 "[ . 1]" 1
552 1 33 THR MG 1 36 GLU HG3 . . 4.570 2.685 2.554 2.735 . 0 0 "[ . 1]" 1
553 1 33 THR MG 1 37 TYR H . . 5.090 4.287 4.263 4.299 . 0 0 "[ . 1]" 1
554 1 34 SER HA 1 37 TYR HB3 . . 4.370 3.103 2.864 3.187 . 0 0 "[ . 1]" 1
555 1 34 SER HA 1 37 TYR QD . . 4.950 3.401 2.989 3.616 . 0 0 "[ . 1]" 1
556 1 34 SER HA 1 38 ASP H . . 4.480 4.064 3.964 4.146 . 0 0 "[ . 1]" 1
557 1 34 SER HB2 1 37 TYR HB3 . . 5.500 5.418 5.313 5.607 0.107 8 0 "[ . 1]" 1
558 1 34 SER HB3 1 37 TYR HB3 . . 5.500 5.421 5.010 5.539 0.039 7 0 "[ . 1]" 1
559 1 34 SER O 1 38 ASP H . . 1.800 1.874 1.860 1.900 0.100 6 0 "[ . 1]" 1
560 1 34 SER O 1 38 ASP N . . 2.800 2.831 2.819 2.846 0.046 6 0 "[ . 1]" 1
561 1 35 ALA H 1 35 ALA MB . . 3.020 2.309 2.295 2.335 . 0 0 "[ . 1]" 1
562 1 35 ALA H 1 36 GLU H . . 3.810 2.719 2.580 2.772 . 0 0 "[ . 1]" 1
563 1 35 ALA H 1 37 TYR H . . 4.710 4.360 4.173 4.438 . 0 0 "[ . 1]" 1
564 1 35 ALA HA 1 37 TYR H . . 4.670 4.627 4.564 4.671 0.001 10 0 "[ . 1]" 1
565 1 35 ALA HA 1 38 ASP HB2 . . 4.510 2.196 2.141 2.280 . 0 0 "[ . 1]" 1
566 1 35 ALA HA 1 38 ASP HB3 . . 4.000 3.809 3.747 3.922 . 0 0 "[ . 1]" 1
567 1 35 ALA HA 1 39 LEU MD2 . . 5.340 4.266 4.086 4.416 . 0 0 "[ . 1]" 1
568 1 35 ALA HA 1 60 LEU MD1 . . 4.820 2.634 2.447 2.967 . 0 0 "[ . 1]" 1
569 1 35 ALA MB 1 36 GLU H . . 3.550 2.559 2.544 2.580 . 0 0 "[ . 1]" 1
570 1 35 ALA MB 1 36 GLU HG2 . . 4.380 3.706 3.697 3.716 . 0 0 "[ . 1]" 1
571 1 35 ALA MB 1 37 TYR H . . 5.500 4.608 4.583 4.622 . 0 0 "[ . 1]" 1
572 1 35 ALA MB 1 38 ASP H . . 5.010 4.279 4.234 4.306 . 0 0 "[ . 1]" 1
573 1 35 ALA MB 1 38 ASP HB2 . . 5.500 3.574 3.528 3.656 . 0 0 "[ . 1]" 1
574 1 35 ALA MB 1 39 LEU HB3 . . 4.530 3.862 3.852 3.888 . 0 0 "[ . 1]" 1
575 1 35 ALA MB 1 39 LEU MD2 . . 4.780 2.956 2.801 3.113 . 0 0 "[ . 1]" 1
576 1 35 ALA O 1 39 LEU H . . 1.800 1.793 1.783 1.800 . 0 0 "[ . 1]" 1
577 1 35 ALA O 1 39 LEU N . . 2.800 2.808 2.796 2.813 0.013 9 0 "[ . 1]" 1
578 1 36 GLU H 1 36 GLU HB3 . . 3.830 3.644 3.629 3.659 . 0 0 "[ . 1]" 1
579 1 36 GLU H 1 36 GLU HG2 . . 3.950 3.304 3.179 3.350 . 0 0 "[ . 1]" 1
580 1 36 GLU H 1 36 GLU HG3 . . 3.800 2.347 2.302 2.383 . 0 0 "[ . 1]" 1
581 1 36 GLU H 1 37 TYR H . . 3.610 2.685 2.661 2.725 . 0 0 "[ . 1]" 1
582 1 36 GLU H 1 37 TYR HB3 . . 4.730 4.669 4.535 4.729 . 0 0 "[ . 1]" 1
583 1 36 GLU H 1 38 ASP H . . 4.440 3.973 3.925 4.081 . 0 0 "[ . 1]" 1
584 1 36 GLU H 1 39 LEU MD2 . . 4.780 3.900 3.744 3.983 . 0 0 "[ . 1]" 1
585 1 36 GLU HA 1 37 TYR HA . . 5.500 4.766 4.741 4.824 . 0 0 "[ . 1]" 1
586 1 36 GLU HA 1 39 LEU H . . 4.420 3.460 3.420 3.559 . 0 0 "[ . 1]" 1
587 1 36 GLU HA 1 39 LEU MD1 . . 4.440 3.669 3.606 3.731 . 0 0 "[ . 1]" 1
588 1 36 GLU HA 1 39 LEU MD2 . . 3.800 2.048 1.970 2.101 . 0 0 "[ . 1]" 1
589 1 36 GLU HA 1 75 ARG HD3 . . 5.500 4.340 3.188 5.275 . 0 0 "[ . 1]" 1
590 1 36 GLU HA 1 75 ARG HG2 . . 5.500 4.440 3.902 5.229 . 0 0 "[ . 1]" 1
591 1 36 GLU HA 1 75 ARG HG3 . . 5.500 4.837 4.148 5.501 0.001 8 0 "[ . 1]" 1
592 1 36 GLU HA 1 79 ILE MD . . 4.210 3.090 2.856 3.203 . 0 0 "[ . 1]" 1
593 1 36 GLU HB2 1 37 TYR H . . 4.320 2.830 2.721 2.877 . 0 0 "[ . 1]" 1
594 1 36 GLU HB3 1 37 TYR H . . 3.960 3.784 3.705 3.817 . 0 0 "[ . 1]" 1
595 1 36 GLU HG3 1 39 LEU MD2 . . 5.500 3.766 3.621 4.054 . 0 0 "[ . 1]" 1
596 1 36 GLU HG3 1 79 ILE MD . . 5.120 4.124 3.965 4.270 . 0 0 "[ . 1]" 1
597 1 36 GLU O 1 40 LEU H . . 1.800 1.922 1.909 1.931 0.131 5 0 "[ . 1]" 1
598 1 36 GLU O 1 40 LEU N . . 2.800 2.859 2.844 2.869 0.069 4 0 "[ . 1]" 1
599 1 37 TYR H 1 37 TYR HB2 . . 3.620 2.851 2.741 2.890 . 0 0 "[ . 1]" 1
600 1 37 TYR H 1 37 TYR HB3 . . 3.530 2.352 2.301 2.391 . 0 0 "[ . 1]" 1
601 1 37 TYR H 1 37 TYR QD . . 4.530 4.097 4.075 4.111 . 0 0 "[ . 1]" 1
602 1 37 TYR H 1 38 ASP H . . 3.440 2.886 2.852 2.985 . 0 0 "[ . 1]" 1
603 1 37 TYR H 1 39 LEU H . . 4.760 4.571 4.540 4.599 . 0 0 "[ . 1]" 1
604 1 37 TYR HA 1 37 TYR QD . . 3.710 2.508 2.385 2.668 . 0 0 "[ . 1]" 1
605 1 37 TYR HA 1 37 TYR QE . . 5.360 4.602 4.552 4.666 . 0 0 "[ . 1]" 1
606 1 37 TYR HA 1 40 LEU H . . 4.010 3.563 3.531 3.648 . 0 0 "[ . 1]" 1
607 1 37 TYR HA 1 40 LEU HA . . 5.500 5.370 5.346 5.407 . 0 0 "[ . 1]" 1
608 1 37 TYR HA 1 40 LEU HB2 . . 4.790 3.514 3.379 3.657 . 0 0 "[ . 1]" 1
609 1 37 TYR HA 1 40 LEU HB3 . . 4.560 2.607 2.529 2.659 . 0 0 "[ . 1]" 1
610 1 37 TYR HA 1 40 LEU MD1 . . 4.650 3.323 3.190 3.388 . 0 0 "[ . 1]" 1
611 1 37 TYR HB2 1 37 TYR QD . . 3.470 2.729 2.673 2.794 . 0 0 "[ . 1]" 1
612 1 37 TYR HB3 1 38 ASP H . . 3.720 2.889 2.691 2.967 . 0 0 "[ . 1]" 1
613 1 37 TYR QD 1 38 ASP H . . 3.700 3.320 3.055 3.390 . 0 0 "[ . 1]" 1
614 1 37 TYR QD 1 38 ASP HA . . 4.550 3.824 3.368 4.055 . 0 0 "[ . 1]" 1
615 1 37 TYR QD 1 40 LEU MD1 . . 4.930 3.617 3.415 3.671 . 0 0 "[ . 1]" 1
616 1 37 TYR QE 1 38 ASP HA . . 5.230 4.126 3.696 4.422 . 0 0 "[ . 1]" 1
617 1 37 TYR QE 1 41 TRP H . . 5.480 4.256 4.139 4.671 . 0 0 "[ . 1]" 1
618 1 37 TYR QE 1 41 TRP HB2 . . 5.500 2.452 2.298 2.983 . 0 0 "[ . 1]" 1
619 1 37 TYR QE 1 41 TRP HB3 . . 4.080 3.742 3.721 3.768 . 0 0 "[ . 1]" 1
620 1 37 TYR O 1 41 TRP H . . 1.800 1.776 1.743 1.795 . 0 0 "[ . 1]" 1
621 1 37 TYR O 1 41 TRP N . . 2.800 2.771 2.721 2.791 . 0 0 "[ . 1]" 1
622 1 38 ASP H 1 38 ASP HB2 . . 3.680 2.425 2.384 2.465 . 0 0 "[ . 1]" 1
623 1 38 ASP H 1 38 ASP HB3 . . 3.450 3.546 3.535 3.554 0.104 1 0 "[ . 1]" 1
624 1 38 ASP H 1 39 LEU H . . 3.620 2.956 2.880 3.023 . 0 0 "[ . 1]" 1
625 1 38 ASP H 1 39 LEU HB3 . . 4.970 4.993 4.976 5.017 0.047 1 0 "[ . 1]" 1
626 1 38 ASP H 1 40 LEU H . . 4.320 4.212 4.160 4.263 . 0 0 "[ . 1]" 1
627 1 38 ASP H 1 41 TRP H . . 5.190 4.793 4.695 4.850 . 0 0 "[ . 1]" 1
628 1 38 ASP HA 1 40 LEU H . . 4.880 4.529 4.463 4.568 . 0 0 "[ . 1]" 1
629 1 38 ASP HA 1 41 TRP H . . 4.600 3.850 3.609 3.932 . 0 0 "[ . 1]" 1
630 1 38 ASP HA 1 41 TRP HB2 . . 5.500 4.021 3.839 4.150 . 0 0 "[ . 1]" 1
631 1 38 ASP HA 1 41 TRP HB3 . . 5.500 2.691 2.513 2.801 . 0 0 "[ . 1]" 1
632 1 38 ASP HA 1 41 TRP HD1 . . 5.140 3.836 3.660 3.961 . 0 0 "[ . 1]" 1
633 1 38 ASP HA 1 60 LEU MD1 . . 5.500 4.648 4.630 4.663 . 0 0 "[ . 1]" 1
634 1 38 ASP HB2 1 39 LEU H . . 3.950 2.470 2.376 2.549 . 0 0 "[ . 1]" 1
635 1 38 ASP HB2 1 60 LEU MD1 . . 4.880 2.186 2.140 2.266 . 0 0 "[ . 1]" 1
636 1 38 ASP HB2 1 60 LEU MD2 . . 3.690 3.100 3.085 3.134 . 0 0 "[ . 1]" 1
637 1 38 ASP HB3 1 39 LEU H . . 4.020 3.218 3.156 3.309 . 0 0 "[ . 1]" 1
638 1 38 ASP HB3 1 40 LEU H . . 5.110 5.265 5.244 5.277 0.167 6 0 "[ . 1]" 1
639 1 38 ASP HB3 1 60 LEU MD1 . . 5.500 2.810 2.707 2.893 . 0 0 "[ . 1]" 1
640 1 38 ASP HB3 1 60 LEU MD2 . . 4.430 2.726 2.582 2.834 . 0 0 "[ . 1]" 1
641 1 38 ASP O 1 42 LEU H . . 1.800 1.853 1.838 1.866 0.066 4 0 "[ . 1]" 1
642 1 38 ASP O 1 42 LEU N . . 2.800 2.864 2.848 2.878 0.078 4 0 "[ . 1]" 1
643 1 39 LEU H 1 39 LEU HB2 . . 3.740 3.493 3.472 3.547 . 0 0 "[ . 1]" 1
644 1 39 LEU H 1 39 LEU HB3 . . 3.480 2.203 2.153 2.284 . 0 0 "[ . 1]" 1
645 1 39 LEU H 1 39 LEU MD2 . . 3.580 3.028 2.947 3.065 . 0 0 "[ . 1]" 1
646 1 39 LEU H 1 39 LEU HG . . 4.390 2.736 2.675 2.892 . 0 0 "[ . 1]" 1
647 1 39 LEU H 1 40 LEU H . . 3.520 2.589 2.542 2.621 . 0 0 "[ . 1]" 1
648 1 39 LEU H 1 41 TRP H . . 4.440 4.408 4.287 4.449 0.009 3 0 "[ . 1]" 1
649 1 39 LEU H 1 42 LEU H . . 5.260 4.730 4.692 4.766 . 0 0 "[ . 1]" 1
650 1 39 LEU H 1 60 LEU MD2 . . 4.000 2.804 2.745 2.850 . 0 0 "[ . 1]" 1
651 1 39 LEU HA 1 42 LEU H . . 4.010 3.492 3.389 3.577 . 0 0 "[ . 1]" 1
652 1 39 LEU HA 1 42 LEU HB2 . . 5.060 2.350 2.242 2.471 . 0 0 "[ . 1]" 1
653 1 39 LEU HA 1 42 LEU HB3 . . 4.900 3.613 3.531 3.730 . 0 0 "[ . 1]" 1
654 1 39 LEU HA 1 43 LEU H . . 5.000 4.094 4.050 4.135 . 0 0 "[ . 1]" 1
655 1 39 LEU HA 1 60 LEU MD1 . . 4.520 3.768 3.675 3.814 . 0 0 "[ . 1]" 1
656 1 39 LEU HA 1 60 LEU MD2 . . 3.270 2.068 2.023 2.091 . 0 0 "[ . 1]" 1
657 1 39 LEU HB2 1 39 LEU MD1 . . 3.540 2.245 2.229 2.257 . 0 0 "[ . 1]" 1
658 1 39 LEU HB2 1 40 LEU H . . 4.280 4.136 4.119 4.163 . 0 0 "[ . 1]" 1
659 1 39 LEU HB3 1 39 LEU MD2 . . 3.140 2.106 2.082 2.124 . 0 0 "[ . 1]" 1
660 1 39 LEU MD1 1 40 LEU H . . 4.400 3.292 3.155 3.671 . 0 0 "[ . 1]" 1
661 1 39 LEU MD1 1 75 ARG HD2 . . 4.540 3.746 3.464 3.912 . 0 0 "[ . 1]" 1
662 1 39 LEU MD1 1 75 ARG HD3 . . 4.480 3.277 2.908 3.734 . 0 0 "[ . 1]" 1
663 1 39 LEU MD1 1 76 ILE HA . . 4.990 3.858 3.650 4.083 . 0 0 "[ . 1]" 1
664 1 39 LEU MD1 1 76 ILE MD . . 2.960 1.991 1.933 2.056 . 0 0 "[ . 1]" 1
665 1 39 LEU MD2 1 40 LEU H . . 4.610 3.819 3.741 3.854 . 0 0 "[ . 1]" 1
666 1 39 LEU MD2 1 40 LEU HB2 . . 5.450 4.530 4.333 4.629 . 0 0 "[ . 1]" 1
667 1 39 LEU MD2 1 75 ARG HD3 . . 3.810 2.021 1.932 2.254 . 0 0 "[ . 1]" 1
668 1 39 LEU HG 1 76 ILE MD . . 5.260 4.180 3.918 4.283 . 0 0 "[ . 1]" 1
669 1 39 LEU O 1 43 LEU H . . 2.000 2.040 2.016 2.082 0.082 8 0 "[ . 1]" 1
670 1 39 LEU O 1 43 LEU N . . 2.800 2.959 2.933 3.000 0.200 6 0 "[ . 1]" 1
671 1 40 LEU H 1 40 LEU HB2 . . 3.400 2.381 2.354 2.404 . 0 0 "[ . 1]" 1
672 1 40 LEU H 1 40 LEU HB3 . . 3.300 2.691 2.642 2.743 . 0 0 "[ . 1]" 1
673 1 40 LEU H 1 41 TRP H . . 3.700 2.792 2.772 2.810 . 0 0 "[ . 1]" 1
674 1 40 LEU H 1 42 LEU H . . 4.310 4.202 4.157 4.256 . 0 0 "[ . 1]" 1
675 1 40 LEU HA 1 40 LEU MD2 . . 3.290 2.262 2.253 2.272 . 0 0 "[ . 1]" 1
676 1 40 LEU HA 1 42 LEU H . . 4.770 4.666 4.644 4.693 . 0 0 "[ . 1]" 1
677 1 40 LEU HA 1 43 LEU HB2 . . 5.480 2.762 2.367 3.265 . 0 0 "[ . 1]" 1
678 1 40 LEU HA 1 43 LEU MD1 . . 4.260 2.542 2.349 2.766 . 0 0 "[ . 1]" 1
679 1 40 LEU HB2 1 41 TRP H . . 3.890 3.732 3.646 3.792 . 0 0 "[ . 1]" 1
680 1 40 LEU HB3 1 40 LEU MD1 . . 3.620 2.154 2.128 2.185 . 0 0 "[ . 1]" 1
681 1 40 LEU HB3 1 40 LEU MD2 . . 3.510 2.912 2.867 2.933 . 0 0 "[ . 1]" 1
682 1 40 LEU HB3 1 41 TRP H . . 3.690 2.464 2.394 2.516 . 0 0 "[ . 1]" 1
683 1 40 LEU MD1 1 41 TRP H . . 4.710 3.962 3.943 3.974 . 0 0 "[ . 1]" 1
684 1 40 LEU MD1 1 79 ILE MG . . 3.730 2.616 2.594 2.639 . 0 0 "[ . 1]" 1
685 1 40 LEU MD1 1 83 ILE MG . . 3.510 2.313 2.215 2.437 . 0 0 "[ . 1]" 1
686 1 40 LEU MD2 1 41 TRP HA . . 5.250 3.817 3.652 3.897 . 0 0 "[ . 1]" 1
687 1 40 LEU MD2 1 44 ALA MB . . 4.020 2.365 2.287 2.415 . 0 0 "[ . 1]" 1
688 1 40 LEU MD2 1 103 PHE QD . . 4.030 2.622 2.556 2.717 . 0 0 "[ . 1]" 1
689 1 40 LEU MD2 1 103 PHE QE . . 3.670 1.975 1.962 1.990 . 0 0 "[ . 1]" 1
690 1 40 LEU MD2 1 103 PHE HZ . . 4.360 3.149 3.092 3.194 . 0 0 "[ . 1]" 1
691 1 40 LEU O 1 44 ALA H . . 1.800 1.789 1.772 1.801 0.001 10 0 "[ . 1]" 1
692 1 40 LEU O 1 44 ALA N . . 2.800 2.799 2.783 2.814 0.014 10 0 "[ . 1]" 1
693 1 41 TRP H 1 41 TRP HB2 . . 3.470 2.682 2.623 2.728 . 0 0 "[ . 1]" 1
694 1 41 TRP H 1 41 TRP HB3 . . 3.520 2.375 2.322 2.396 . 0 0 "[ . 1]" 1
695 1 41 TRP H 1 42 LEU H . . 3.680 3.030 2.975 3.072 . 0 0 "[ . 1]" 1
696 1 41 TRP HA 1 41 TRP HZ3 . . 5.210 5.232 5.181 5.258 0.048 10 0 "[ . 1]" 1
697 1 41 TRP HA 1 42 LEU HA . . 5.030 4.885 4.857 4.914 . 0 0 "[ . 1]" 1
698 1 41 TRP HA 1 43 LEU H . . 5.500 4.494 4.445 4.559 . 0 0 "[ . 1]" 1
699 1 41 TRP HA 1 44 ALA H . . 4.550 3.745 3.664 3.784 . 0 0 "[ . 1]" 1
700 1 41 TRP HA 1 44 ALA MB . . 3.800 2.441 2.425 2.459 . 0 0 "[ . 1]" 1
701 1 41 TRP HA 1 45 SER H . . 4.760 3.742 3.679 3.784 . 0 0 "[ . 1]" 1
702 1 41 TRP HB2 1 41 TRP HD1 . . 3.840 3.732 3.700 3.756 . 0 0 "[ . 1]" 1
703 1 41 TRP HB2 1 42 LEU H . . 3.740 3.860 3.842 3.880 0.140 2 0 "[ . 1]" 1
704 1 41 TRP HB2 1 42 LEU MD2 . . 5.490 4.721 4.673 4.743 . 0 0 "[ . 1]" 1
705 1 41 TRP HB2 1 44 ALA MB . . 5.290 4.468 4.452 4.479 . 0 0 "[ . 1]" 1
706 1 41 TRP HB3 1 41 TRP HD1 . . 3.870 2.648 2.613 2.682 . 0 0 "[ . 1]" 1
707 1 41 TRP HB3 1 42 LEU H . . 4.290 2.567 2.539 2.593 . 0 0 "[ . 1]" 1
708 1 41 TRP HB3 1 42 LEU MD2 . . 5.500 3.438 3.348 3.486 . 0 0 "[ . 1]" 1
709 1 41 TRP HD1 1 42 LEU H . . 4.030 2.953 2.895 3.031 . 0 0 "[ . 1]" 1
710 1 41 TRP HD1 1 42 LEU HA . . 4.680 3.330 3.164 3.538 . 0 0 "[ . 1]" 1
711 1 41 TRP HD1 1 42 LEU MD2 . . 4.140 1.970 1.933 2.012 . 0 0 "[ . 1]" 1
712 1 41 TRP HZ2 1 45 SER HA . . 5.500 5.522 5.514 5.530 0.030 4 0 "[ . 1]" 1
713 1 41 TRP HZ2 1 45 SER HB2 . . 5.400 3.858 3.811 3.888 . 0 0 "[ . 1]" 1
714 1 41 TRP HZ2 1 45 SER HB3 . . 5.500 4.780 4.622 4.875 . 0 0 "[ . 1]" 1
715 1 41 TRP O 1 45 SER H . . 1.800 1.831 1.819 1.840 0.040 2 0 "[ . 1]" 1
716 1 41 TRP O 1 45 SER N . . 2.800 2.710 2.692 2.720 . 0 0 "[ . 1]" 1
717 1 42 LEU H 1 42 LEU HB2 . . 3.380 2.072 2.058 2.098 . 0 0 "[ . 1]" 1
718 1 42 LEU H 1 42 LEU HB3 . . 3.290 3.388 3.379 3.408 0.118 1 0 "[ . 1]" 1
719 1 42 LEU H 1 42 LEU MD2 . . 3.120 2.503 2.441 2.528 . 0 0 "[ . 1]" 1
720 1 42 LEU H 1 42 LEU HG . . 4.370 3.842 3.770 3.902 . 0 0 "[ . 1]" 1
721 1 42 LEU HA 1 42 LEU MD1 . . 2.940 2.385 2.282 2.467 . 0 0 "[ . 1]" 1
722 1 42 LEU HA 1 42 LEU MD2 . . 3.580 2.128 2.094 2.150 . 0 0 "[ . 1]" 1
723 1 42 LEU HA 1 42 LEU HG . . 4.220 3.712 3.686 3.737 . 0 0 "[ . 1]" 1
724 1 42 LEU HA 1 44 ALA H . . 5.500 4.959 4.933 4.992 . 0 0 "[ . 1]" 1
725 1 42 LEU HB2 1 42 LEU MD2 . . 3.520 2.602 2.558 2.658 . 0 0 "[ . 1]" 1
726 1 42 LEU HB2 1 56 ILE MG . . 3.640 2.607 2.456 2.781 . 0 0 "[ . 1]" 1
727 1 42 LEU HB3 1 56 ILE MG . . 3.300 2.421 2.318 2.558 . 0 0 "[ . 1]" 1
728 1 42 LEU MD1 1 59 ARG HA . . 5.500 4.630 4.515 4.666 . 0 0 "[ . 1]" 1
729 1 42 LEU MD1 1 59 ARG HB2 . . 3.390 2.849 2.835 2.911 . 0 0 "[ . 1]" 1
730 1 42 LEU MD1 1 59 ARG HB3 . . 3.490 2.433 2.263 2.723 . 0 0 "[ . 1]" 1
731 1 42 LEU MD1 1 59 ARG HG3 . . 3.370 2.054 1.946 2.420 . 0 0 "[ . 1]" 1
732 1 42 LEU MD2 1 59 ARG HG3 . . 3.880 3.282 3.182 3.309 . 0 0 "[ . 1]" 1
733 1 42 LEU HG 1 59 ARG HB3 . . 4.410 2.788 2.517 3.023 . 0 0 "[ . 1]" 1
734 1 42 LEU O 1 46 ASN H . . 2.000 2.088 2.066 2.100 0.100 3 0 "[ . 1]" 1
735 1 42 LEU O 1 46 ASN N . . 2.800 2.982 2.970 3.005 0.205 6 0 "[ . 1]" 1
736 1 43 LEU H 1 43 LEU HB2 . . 3.570 2.336 2.062 2.701 . 0 0 "[ . 1]" 1
737 1 43 LEU H 1 44 ALA H . . 3.600 2.660 2.618 2.703 . 0 0 "[ . 1]" 1
738 1 43 LEU H 1 44 ALA MB . . 4.640 3.978 3.959 4.002 . 0 0 "[ . 1]" 1
739 1 43 LEU HA 1 43 LEU HB3 . . 2.970 2.517 2.262 2.719 . 0 0 "[ . 1]" 1
740 1 43 LEU HA 1 43 LEU MD2 . . 3.130 2.288 2.089 2.581 . 0 0 "[ . 1]" 1
741 1 43 LEU HA 1 43 LEU HG . . 3.140 3.165 3.152 3.176 0.036 10 0 "[ . 1]" 1
742 1 43 LEU HA 1 45 SER H . . 5.050 4.400 4.311 4.493 . 0 0 "[ . 1]" 1
743 1 43 LEU HA 1 46 ASN H . . 4.350 3.589 3.411 3.724 . 0 0 "[ . 1]" 1
744 1 43 LEU HA 1 46 ASN HB2 . . 5.460 3.025 2.801 3.222 . 0 0 "[ . 1]" 1
745 1 43 LEU HA 1 51 LEU MD1 . . 4.330 3.671 3.624 3.699 . 0 0 "[ . 1]" 1
746 1 43 LEU HA 1 51 LEU MD2 . . 3.460 2.336 2.250 2.434 . 0 0 "[ . 1]" 1
747 1 43 LEU HA 1 102 LEU HA . . 5.500 5.504 5.425 5.530 0.030 2 0 "[ . 1]" 1
748 1 43 LEU HB2 1 43 LEU MD1 . . 3.510 2.244 2.148 2.320 . 0 0 "[ . 1]" 1
749 1 43 LEU HB2 1 44 ALA H . . 3.920 2.383 2.314 2.463 . 0 0 "[ . 1]" 1
750 1 43 LEU HB2 1 103 PHE HB3 . . 5.160 3.908 3.180 4.476 . 0 0 "[ . 1]" 1
751 1 43 LEU HB2 1 103 PHE QD . . 5.490 3.159 2.752 3.477 . 0 0 "[ . 1]" 1
752 1 43 LEU HB3 1 44 ALA H . . 3.640 3.142 2.784 3.577 . 0 0 "[ . 1]" 1
753 1 43 LEU HB3 1 51 LEU MD2 . . 4.220 3.115 2.471 3.543 . 0 0 "[ . 1]" 1
754 1 43 LEU HB3 1 103 PHE HB3 . . 5.260 2.764 2.575 2.973 . 0 0 "[ . 1]" 1
755 1 43 LEU HB3 1 103 PHE QD . . 5.270 2.929 2.516 3.478 . 0 0 "[ . 1]" 1
756 1 43 LEU MD1 1 101 TYR HA . . 5.500 4.448 4.246 4.596 . 0 0 "[ . 1]" 1
757 1 43 LEU MD1 1 101 TYR HB2 . . 4.710 3.238 3.109 3.328 . 0 0 "[ . 1]" 1
758 1 43 LEU MD1 1 101 TYR HB3 . . 4.340 2.354 2.238 2.492 . 0 0 "[ . 1]" 1
759 1 43 LEU MD1 1 101 TYR QD . . 4.540 2.830 2.586 3.034 . 0 0 "[ . 1]" 1
760 1 43 LEU MD1 1 103 PHE HA . . 4.550 3.889 3.881 3.901 . 0 0 "[ . 1]" 1
761 1 43 LEU MD1 1 103 PHE HB2 . . 5.110 2.568 2.496 2.643 . 0 0 "[ . 1]" 1
762 1 43 LEU MD1 1 103 PHE HB3 . . 5.500 4.056 3.959 4.172 . 0 0 "[ . 1]" 1
763 1 43 LEU MD2 1 51 LEU HA . . 5.290 4.503 4.476 4.522 . 0 0 "[ . 1]" 1
764 1 43 LEU MD2 1 51 LEU HB3 . . 3.830 3.155 3.088 3.204 . 0 0 "[ . 1]" 1
765 1 43 LEU MD2 1 101 TYR H . . 4.260 3.626 3.611 3.660 . 0 0 "[ . 1]" 1
766 1 43 LEU MD2 1 101 TYR HA . . 4.460 3.847 3.807 3.886 . 0 0 "[ . 1]" 1
767 1 43 LEU MD2 1 101 TYR HB2 . . 4.190 1.947 1.911 1.967 . 0 0 "[ . 1]" 1
768 1 43 LEU MD2 1 101 TYR HB3 . . 4.210 2.100 2.068 2.152 . 0 0 "[ . 1]" 1
769 1 43 LEU MD2 1 101 TYR QD . . 3.850 2.581 2.362 2.850 . 0 0 "[ . 1]" 1
770 1 43 LEU MD2 1 102 LEU HA . . 4.310 3.614 3.492 3.656 . 0 0 "[ . 1]" 1
771 1 43 LEU MD2 1 103 PHE H . . 4.270 3.070 2.916 3.194 . 0 0 "[ . 1]" 1
772 1 43 LEU MD2 1 103 PHE HB2 . . 4.910 2.965 2.682 3.174 . 0 0 "[ . 1]" 1
773 1 43 LEU MD2 1 103 PHE HB3 . . 4.980 3.969 3.773 4.119 . 0 0 "[ . 1]" 1
774 1 43 LEU MD2 1 103 PHE QD . . 5.500 4.092 3.919 4.182 . 0 0 "[ . 1]" 1
775 1 44 ALA H 1 44 ALA MB . . 3.070 1.983 1.948 2.003 . 0 0 "[ . 1]" 1
776 1 44 ALA H 1 45 SER H . . 3.560 2.793 2.766 2.813 . 0 0 "[ . 1]" 1
777 1 44 ALA H 1 45 SER HA . . 5.500 5.461 5.444 5.474 . 0 0 "[ . 1]" 1
778 1 44 ALA H 1 46 ASN H . . 4.190 4.202 4.170 4.222 0.032 2 0 "[ . 1]" 1
779 1 44 ALA H 1 103 PHE HB2 . . 5.070 4.136 4.042 4.235 . 0 0 "[ . 1]" 1
780 1 44 ALA H 1 103 PHE QD . . 4.550 4.078 4.068 4.084 . 0 0 "[ . 1]" 1
781 1 44 ALA HA 1 47 ALA HA . . 3.870 3.960 3.946 3.980 0.110 6 0 "[ . 1]" 1
782 1 44 ALA HA 1 47 ALA MB . . 3.800 1.927 1.911 1.943 . 0 0 "[ . 1]" 1
783 1 44 ALA HA 1 103 PHE HB3 . . 4.650 2.963 2.938 2.997 . 0 0 "[ . 1]" 1
784 1 44 ALA HA 1 103 PHE QD . . 4.730 3.086 3.025 3.144 . 0 0 "[ . 1]" 1
785 1 44 ALA MB 1 45 SER H . . 3.340 2.677 2.633 2.702 . 0 0 "[ . 1]" 1
786 1 44 ALA MB 1 45 SER HB2 . . 4.760 3.983 3.978 3.989 . 0 0 "[ . 1]" 1
787 1 44 ALA MB 1 45 SER HB3 . . 5.500 4.584 4.576 4.589 . 0 0 "[ . 1]" 1
788 1 44 ALA MB 1 47 ALA H . . 5.090 4.284 4.273 4.302 . 0 0 "[ . 1]" 1
789 1 44 ALA MB 1 103 PHE QD . . 4.930 3.713 3.686 3.725 . 0 0 "[ . 1]" 1
790 1 44 ALA MB 1 103 PHE QE . . 4.900 3.646 3.599 3.670 . 0 0 "[ . 1]" 1
791 1 44 ALA MB 1 103 PHE HZ . . 4.540 3.892 3.871 3.911 . 0 0 "[ . 1]" 1
792 1 45 SER H 1 45 SER HB2 . . 3.780 2.620 2.609 2.642 . 0 0 "[ . 1]" 1
793 1 45 SER H 1 45 SER HB3 . . 3.880 2.472 2.461 2.493 . 0 0 "[ . 1]" 1
794 1 45 SER H 1 46 ASN H . . 3.330 2.501 2.482 2.536 . 0 0 "[ . 1]" 1
795 1 45 SER H 1 47 ALA MB . . 5.000 4.259 4.252 4.267 . 0 0 "[ . 1]" 1
796 1 45 SER HA 1 46 ASN HA . . 5.490 4.672 4.648 4.693 . 0 0 "[ . 1]" 1
797 1 45 SER HA 1 47 ALA H . . 4.630 3.720 3.698 3.744 . 0 0 "[ . 1]" 1
798 1 45 SER HA 1 47 ALA MB . . 5.500 4.459 4.432 4.490 . 0 0 "[ . 1]" 1
799 1 45 SER HB2 1 46 ASN H . . 4.690 4.124 4.092 4.145 . 0 0 "[ . 1]" 1
800 1 45 SER HB3 1 46 ASN H . . 4.940 2.948 2.911 2.979 . 0 0 "[ . 1]" 1
801 1 46 ASN H 1 46 ASN HB2 . . 3.490 2.201 2.168 2.235 . 0 0 "[ . 1]" 1
802 1 46 ASN H 1 46 ASN HB3 . . 3.870 3.526 3.504 3.550 . 0 0 "[ . 1]" 1
803 1 46 ASN H 1 51 LEU MD2 . . 4.540 3.898 3.878 3.915 . 0 0 "[ . 1]" 1
804 1 46 ASN HA 1 49 ARG HB2 . . 5.130 4.631 4.438 4.855 . 0 0 "[ . 1]" 1
805 1 46 ASN HA 1 49 ARG HB3 . . 5.470 3.998 3.817 4.292 . 0 0 "[ . 1]" 1
806 1 46 ASN HB2 1 47 ALA MB . . 5.500 4.705 4.688 4.726 . 0 0 "[ . 1]" 1
807 1 46 ASN HB2 1 49 ARG HB2 . . 5.500 5.395 5.177 5.504 0.004 9 0 "[ . 1]" 1
808 1 46 ASN HB2 1 49 ARG HB3 . . 4.570 3.874 3.806 4.016 . 0 0 "[ . 1]" 1
809 1 46 ASN HB2 1 49 ARG HD2 . . 5.500 4.974 4.371 5.444 . 0 0 "[ . 1]" 1
810 1 46 ASN HB2 1 51 LEU HB2 . . 5.500 5.365 5.276 5.462 . 0 0 "[ . 1]" 1
811 1 46 ASN HB2 1 51 LEU HB3 . . 5.500 5.155 4.995 5.305 . 0 0 "[ . 1]" 1
812 1 46 ASN HB2 1 51 LEU MD1 . . 3.240 2.398 2.275 2.509 . 0 0 "[ . 1]" 1
813 1 46 ASN HB2 1 51 LEU MD2 . . 3.500 2.241 2.199 2.273 . 0 0 "[ . 1]" 1
814 1 46 ASN HB2 1 51 LEU HG . . 5.270 3.113 3.007 3.274 . 0 0 "[ . 1]" 1
815 1 46 ASN HB3 1 49 ARG H . . 5.290 3.786 3.669 3.999 . 0 0 "[ . 1]" 1
816 1 46 ASN HB3 1 49 ARG HB2 . . 4.430 3.730 3.550 3.819 . 0 0 "[ . 1]" 1
817 1 46 ASN HB3 1 49 ARG HB3 . . 4.480 2.302 2.190 2.479 . 0 0 "[ . 1]" 1
818 1 46 ASN HB3 1 49 ARG HG2 . . 5.050 4.198 3.845 4.696 . 0 0 "[ . 1]" 1
819 1 46 ASN HB3 1 51 LEU MD1 . . 3.880 2.202 2.120 2.289 . 0 0 "[ . 1]" 1
820 1 46 ASN HB3 1 51 LEU MD2 . . 3.780 2.719 2.557 2.848 . 0 0 "[ . 1]" 1
821 1 47 ALA H 1 47 ALA MB . . 2.730 2.203 2.171 2.224 . 0 0 "[ . 1]" 1
822 1 47 ALA H 1 48 GLY H . . 4.610 4.471 4.442 4.519 . 0 0 "[ . 1]" 1
823 1 47 ALA H 1 49 ARG H . . 4.730 4.684 4.640 4.761 0.031 2 0 "[ . 1]" 1
824 1 47 ALA H 1 103 PHE H . . 5.500 5.539 5.528 5.544 0.044 10 0 "[ . 1]" 1
825 1 47 ALA H 1 103 PHE HB3 . . 4.260 4.004 3.911 4.075 . 0 0 "[ . 1]" 1
826 1 47 ALA HA 1 48 GLY H . . 3.400 2.049 2.028 2.094 . 0 0 "[ . 1]" 1
827 1 47 ALA HA 1 102 LEU MD1 . . 4.330 3.169 3.136 3.189 . 0 0 "[ . 1]" 1
828 1 47 ALA HA 1 103 PHE H . . 4.180 3.524 3.437 3.597 . 0 0 "[ . 1]" 1
829 1 47 ALA HA 1 103 PHE HB2 . . 4.840 4.384 4.263 4.496 . 0 0 "[ . 1]" 1
830 1 47 ALA HA 1 103 PHE HB3 . . 3.670 2.769 2.662 2.868 . 0 0 "[ . 1]" 1
831 1 47 ALA HA 1 103 PHE QD . . 4.590 3.747 3.666 3.790 . 0 0 "[ . 1]" 1
832 1 47 ALA HA 1 104 VAL HA . . 4.790 4.832 4.813 4.854 0.064 8 0 "[ . 1]" 1
833 1 47 ALA MB 1 48 GLY H . . 3.540 2.840 2.805 2.919 . 0 0 "[ . 1]" 1
834 1 47 ALA MB 1 48 GLY HA3 . . 5.240 4.379 4.350 4.428 . 0 0 "[ . 1]" 1
835 1 47 ALA MB 1 102 LEU MD1 . . 5.500 3.873 3.860 3.887 . 0 0 "[ . 1]" 1
836 1 47 ALA MB 1 103 PHE HA . . 5.160 4.317 4.307 4.326 . 0 0 "[ . 1]" 1
837 1 47 ALA MB 1 103 PHE HB2 . . 4.660 3.895 3.878 3.908 . 0 0 "[ . 1]" 1
838 1 47 ALA MB 1 103 PHE HB3 . . 4.880 2.385 2.371 2.399 . 0 0 "[ . 1]" 1
839 1 47 ALA MB 1 103 PHE QD . . 3.540 2.094 2.049 2.129 . 0 0 "[ . 1]" 1
840 1 47 ALA MB 1 103 PHE QE . . 4.940 3.649 3.592 3.678 . 0 0 "[ . 1]" 1
841 1 48 GLY H 1 49 ARG H . . 3.650 2.722 2.630 2.776 . 0 0 "[ . 1]" 1
842 1 48 GLY H 1 49 ARG HB2 . . 5.500 5.486 5.412 5.529 0.029 8 0 "[ . 1]" 1
843 1 48 GLY H 1 49 ARG HB3 . . 5.500 4.945 4.810 5.092 . 0 0 "[ . 1]" 1
844 1 48 GLY H 1 102 LEU MD1 . . 3.580 1.973 1.939 1.995 . 0 0 "[ . 1]" 1
845 1 48 GLY H 1 103 PHE H . . 4.590 3.880 3.815 3.931 . 0 0 "[ . 1]" 1
846 1 48 GLY H 1 103 PHE HA . . 4.990 5.025 4.997 5.061 0.071 8 0 "[ . 1]" 1
847 1 48 GLY H 1 103 PHE HB2 . . 5.280 5.381 5.339 5.423 0.143 1 0 "[ . 1]" 1
848 1 48 GLY H 1 103 PHE HB3 . . 4.360 4.050 3.995 4.089 . 0 0 "[ . 1]" 1
849 1 48 GLY H 1 103 PHE QD . . 5.080 4.339 4.275 4.394 . 0 0 "[ . 1]" 1
850 1 48 GLY HA3 1 102 LEU MD1 . . 3.300 3.444 3.413 3.477 0.177 10 0 "[ . 1]" 1
851 1 49 ARG H 1 49 ARG HD2 . . 4.880 4.903 4.780 4.987 0.107 8 0 "[ . 1]" 1
852 1 49 ARG H 1 102 LEU MD1 . . 3.480 2.909 2.816 2.963 . 0 0 "[ . 1]" 1
853 1 49 ARG HA 1 49 ARG HD2 . . 4.910 4.568 4.473 4.720 . 0 0 "[ . 1]" 1
854 1 49 ARG HA 1 49 ARG HD3 . . 5.350 4.744 4.576 4.962 . 0 0 "[ . 1]" 1
855 1 49 ARG HA 1 49 ARG HG3 . . 3.510 2.710 2.623 2.785 . 0 0 "[ . 1]" 1
856 1 49 ARG HA 1 50 ILE H . . 3.000 2.337 2.305 2.412 . 0 0 "[ . 1]" 1
857 1 49 ARG HA 1 102 LEU MD1 . . 4.540 3.286 3.226 3.342 . 0 0 "[ . 1]" 1
858 1 49 ARG HB2 1 49 ARG HD2 . . 3.770 2.790 2.507 3.391 . 0 0 "[ . 1]" 1
859 1 49 ARG HB2 1 51 LEU MD1 . . 4.980 4.197 4.162 4.212 . 0 0 "[ . 1]" 1
860 1 49 ARG HB3 1 51 LEU MD1 . . 3.300 2.756 2.688 2.778 . 0 0 "[ . 1]" 1
861 1 49 ARG HB3 1 51 LEU MD2 . . 4.540 3.387 3.170 3.583 . 0 0 "[ . 1]" 1
862 1 49 ARG HD2 1 50 ILE H . . 5.460 5.242 4.512 5.466 0.006 1 0 "[ . 1]" 1
863 1 49 ARG HD3 1 50 ILE H . . 5.500 4.916 4.538 5.105 . 0 0 "[ . 1]" 1
864 1 49 ARG HG2 1 50 ILE H . . 3.380 2.619 2.293 2.958 . 0 0 "[ . 1]" 1
865 1 49 ARG HG2 1 51 LEU MD1 . . 4.010 2.893 2.470 3.351 . 0 0 "[ . 1]" 1
866 1 49 ARG HG2 1 102 LEU MD1 . . 5.500 4.664 4.642 4.692 . 0 0 "[ . 1]" 1
867 1 49 ARG HG3 1 50 ILE H . . 3.890 3.363 3.080 3.616 . 0 0 "[ . 1]" 1
868 1 50 ILE H 1 50 ILE HB . . 3.200 2.681 2.638 2.763 . 0 0 "[ . 1]" 1
869 1 50 ILE H 1 50 ILE MD . . 3.810 3.041 2.691 3.257 . 0 0 "[ . 1]" 1
870 1 50 ILE H 1 51 LEU H . . 4.700 4.668 4.617 4.702 0.002 6 0 "[ . 1]" 1
871 1 50 ILE H 1 102 LEU HB2 . . 4.610 4.134 3.893 4.230 . 0 0 "[ . 1]" 1
872 1 50 ILE H 1 102 LEU MD1 . . 4.530 3.336 3.268 3.404 . 0 0 "[ . 1]" 1
873 1 50 ILE HA 1 50 ILE MG . . 3.140 2.283 2.234 2.400 . 0 0 "[ . 1]" 1
874 1 50 ILE HA 1 51 LEU H . . 3.210 2.253 2.199 2.295 . 0 0 "[ . 1]" 1
875 1 50 ILE HA 1 51 LEU MD1 . . 5.120 4.022 3.852 4.229 . 0 0 "[ . 1]" 1
876 1 50 ILE HA 1 101 TYR H . . 5.030 4.737 4.560 5.005 . 0 0 "[ . 1]" 1
877 1 50 ILE HA 1 101 TYR HA . . 5.500 5.541 5.430 5.591 0.091 10 0 "[ . 1]" 1
878 1 50 ILE HA 1 102 LEU H . . 5.040 4.260 4.017 4.378 . 0 0 "[ . 1]" 1
879 1 50 ILE HA 1 102 LEU HA . . 3.940 2.124 2.092 2.159 . 0 0 "[ . 1]" 1
880 1 50 ILE HA 1 102 LEU HB2 . . 5.200 2.314 2.198 2.384 . 0 0 "[ . 1]" 1
881 1 50 ILE HA 1 102 LEU HB3 . . 5.140 3.836 3.673 3.924 . 0 0 "[ . 1]" 1
882 1 50 ILE HA 1 102 LEU MD1 . . 3.470 2.804 2.702 2.927 . 0 0 "[ . 1]" 1
883 1 50 ILE HA 1 102 LEU MD2 . . 5.040 4.215 4.203 4.227 . 0 0 "[ . 1]" 1
884 1 50 ILE HB 1 50 ILE MD . . 3.110 2.203 2.163 2.238 . 0 0 "[ . 1]" 1
885 1 50 ILE HB 1 99 LYS HB3 . . 4.020 4.080 4.057 4.117 0.097 2 0 "[ . 1]" 1
886 1 50 ILE HB 1 102 LEU HB2 . . 5.080 4.168 4.107 4.223 . 0 0 "[ . 1]" 1
887 1 50 ILE MD 1 96 VAL MG1 . . 3.180 2.088 2.013 2.200 . 0 0 "[ . 1]" 1
888 1 50 ILE MD 1 99 LYS HB3 . . 4.280 3.229 3.036 3.557 . 0 0 "[ . 1]" 1
889 1 50 ILE MD 1 99 LYS HD2 . . 3.740 3.104 2.877 3.171 . 0 0 "[ . 1]" 1
890 1 50 ILE MD 1 99 LYS HD3 . . 4.380 2.125 2.053 2.212 . 0 0 "[ . 1]" 1
891 1 50 ILE MD 1 99 LYS HE2 . . 4.840 3.441 3.140 4.095 . 0 0 "[ . 1]" 1
892 1 50 ILE MD 1 99 LYS HE3 . . 5.110 3.866 2.862 4.335 . 0 0 "[ . 1]" 1
893 1 50 ILE MD 1 102 LEU HB2 . . 4.490 3.793 3.765 3.825 . 0 0 "[ . 1]" 1
894 1 50 ILE HG12 1 96 VAL MG1 . . 4.650 2.198 2.048 2.817 . 0 0 "[ . 1]" 1
895 1 50 ILE HG12 1 99 LYS HB3 . . 5.500 4.322 3.965 4.718 . 0 0 "[ . 1]" 1
896 1 50 ILE HG12 1 102 LEU HA . . 4.410 4.300 4.228 4.417 0.007 3 0 "[ . 1]" 1
897 1 50 ILE HG12 1 102 LEU HB3 . . 4.620 3.352 3.145 3.554 . 0 0 "[ . 1]" 1
898 1 50 ILE HG13 1 102 LEU MD1 . . 5.290 2.983 2.701 3.228 . 0 0 "[ . 1]" 1
899 1 50 ILE MG 1 51 LEU H . . 3.390 2.426 2.321 2.591 . 0 0 "[ . 1]" 1
900 1 50 ILE MG 1 52 SER H . . 4.610 3.946 3.908 3.976 . 0 0 "[ . 1]" 1
901 1 50 ILE MG 1 96 VAL HB . . 4.050 3.301 2.923 3.471 . 0 0 "[ . 1]" 1
902 1 50 ILE MG 1 96 VAL MG1 . . 2.810 2.003 1.959 2.022 . 0 0 "[ . 1]" 1
903 1 50 ILE MG 1 99 LYS HB2 . . 4.310 3.420 3.335 3.571 . 0 0 "[ . 1]" 1
904 1 50 ILE MG 1 99 LYS HB3 . . 3.020 2.064 1.983 2.194 . 0 0 "[ . 1]" 1
905 1 50 ILE MG 1 99 LYS HD2 . . 4.340 3.637 3.592 3.667 . 0 0 "[ . 1]" 1
906 1 50 ILE MG 1 99 LYS HE2 . . 5.500 3.481 2.752 4.446 . 0 0 "[ . 1]" 1
907 1 50 ILE MG 1 99 LYS HE3 . . 5.500 3.202 2.510 4.052 . 0 0 "[ . 1]" 1
908 1 50 ILE MG 1 99 LYS HG2 . . 4.440 2.367 2.324 2.426 . 0 0 "[ . 1]" 1
909 1 50 ILE MG 1 99 LYS HG3 . . 4.450 3.738 3.716 3.773 . 0 0 "[ . 1]" 1
910 1 50 ILE MG 1 100 GLY H . . 3.990 2.881 2.712 3.048 . 0 0 "[ . 1]" 1
911 1 50 ILE MG 1 100 GLY HA3 . . 5.310 2.850 2.563 2.975 . 0 0 "[ . 1]" 1
912 1 50 ILE MG 1 101 TYR H . . 3.730 3.055 2.920 3.211 . 0 0 "[ . 1]" 1
913 1 50 ILE MG 1 101 TYR HA . . 4.790 4.031 3.992 4.057 . 0 0 "[ . 1]" 1
914 1 50 ILE MG 1 102 LEU HA . . 4.350 3.166 3.044 3.394 . 0 0 "[ . 1]" 1
915 1 50 ILE MG 1 102 LEU HB2 . . 4.180 2.652 2.391 2.900 . 0 0 "[ . 1]" 1
916 1 50 ILE MG 1 102 LEU HB3 . . 5.270 3.477 3.343 3.668 . 0 0 "[ . 1]" 1
917 1 51 LEU H 1 51 LEU HB2 . . 3.870 2.662 2.574 2.728 . 0 0 "[ . 1]" 1
918 1 51 LEU H 1 51 LEU HB3 . . 3.690 3.677 3.638 3.706 0.016 6 0 "[ . 1]" 1
919 1 51 LEU H 1 51 LEU MD2 . . 3.350 2.177 2.064 2.331 . 0 0 "[ . 1]" 1
920 1 51 LEU H 1 51 LEU HG . . 3.920 4.035 3.995 4.069 0.149 6 0 "[ . 1]" 1
921 1 51 LEU H 1 100 GLY HA3 . . 5.500 4.021 3.949 4.210 . 0 0 "[ . 1]" 1
922 1 51 LEU H 1 101 TYR H . . 4.030 3.018 2.825 3.456 . 0 0 "[ . 1]" 1
923 1 51 LEU H 1 102 LEU H . . 4.970 4.306 4.168 4.378 . 0 0 "[ . 1]" 1
924 1 51 LEU H 1 102 LEU HA . . 4.060 2.767 2.632 2.893 . 0 0 "[ . 1]" 1
925 1 51 LEU H 1 102 LEU HB2 . . 4.590 4.086 4.046 4.139 . 0 0 "[ . 1]" 1
926 1 51 LEU H 1 103 PHE H . . 5.500 4.237 4.029 4.352 . 0 0 "[ . 1]" 1
927 1 51 LEU HA 1 51 LEU MD1 . . 3.180 2.214 2.118 2.395 . 0 0 "[ . 1]" 1
928 1 51 LEU HA 1 51 LEU MD2 . . 3.980 3.437 3.399 3.459 . 0 0 "[ . 1]" 1
929 1 51 LEU HA 1 51 LEU HG . . 3.750 3.765 3.754 3.783 0.033 4 0 "[ . 1]" 1
930 1 51 LEU HA 1 52 SER H . . 3.040 2.258 2.200 2.317 . 0 0 "[ . 1]" 1
931 1 51 LEU HA 1 55 ASP HB2 . . 5.140 4.367 4.062 4.513 . 0 0 "[ . 1]" 1
932 1 51 LEU HA 1 56 ILE MD . . 4.520 3.274 3.192 3.549 . 0 0 "[ . 1]" 1
933 1 51 LEU HB2 1 51 LEU MD2 . . 3.140 2.535 2.491 2.596 . 0 0 "[ . 1]" 1
934 1 51 LEU HB2 1 52 SER H . . 4.110 4.159 4.122 4.180 0.070 7 0 "[ . 1]" 1
935 1 51 LEU HB2 1 55 ASP HB2 . . 5.500 5.581 5.549 5.629 0.129 6 0 "[ . 1]" 1
936 1 51 LEU HB2 1 55 ASP HB3 . . 5.360 4.842 4.240 5.215 . 0 0 "[ . 1]" 1
937 1 51 LEU HB2 1 56 ILE MD . . 3.800 2.186 2.043 2.249 . 0 0 "[ . 1]" 1
938 1 51 LEU HB2 1 101 TYR H . . 5.280 3.493 3.435 3.566 . 0 0 "[ . 1]" 1
939 1 51 LEU HB3 1 52 SER H . . 4.240 3.559 3.384 3.635 . 0 0 "[ . 1]" 1
940 1 51 LEU HB3 1 55 ASP HB2 . . 5.500 4.434 4.300 4.489 . 0 0 "[ . 1]" 1
941 1 51 LEU HB3 1 55 ASP HB3 . . 5.030 3.409 2.807 3.779 . 0 0 "[ . 1]" 1
942 1 51 LEU HB3 1 56 ILE MD . . 3.280 2.105 2.041 2.362 . 0 0 "[ . 1]" 1
943 1 51 LEU HB3 1 101 TYR H . . 5.500 4.829 4.793 4.884 . 0 0 "[ . 1]" 1
944 1 51 LEU MD2 1 102 LEU HA . . 4.140 2.418 2.376 2.544 . 0 0 "[ . 1]" 1
945 1 51 LEU MD2 1 103 PHE H . . 4.580 2.349 2.258 2.449 . 0 0 "[ . 1]" 1
946 1 51 LEU MD2 1 103 PHE HB3 . . 4.820 3.482 3.370 3.600 . 0 0 "[ . 1]" 1
947 1 51 LEU HG 1 102 LEU HA . . 4.950 5.134 5.115 5.165 0.215 2 0 "[ . 1]" 1
948 1 51 LEU HG 1 103 PHE H . . 5.500 4.791 4.676 4.899 . 0 0 "[ . 1]" 1
949 1 52 SER H 1 52 SER HB2 . . 3.900 2.651 2.597 2.697 . 0 0 "[ . 1]" 1
950 1 52 SER H 1 52 SER HB3 . . 4.040 3.435 2.523 3.549 . 0 0 "[ . 1]" 1
951 1 52 SER H 1 54 GLU H . . 5.500 5.460 5.249 5.528 0.028 1 0 "[ . 1]" 1
952 1 52 SER H 1 55 ASP H . . 4.400 4.284 3.744 4.480 0.080 1 0 "[ . 1]" 1
953 1 52 SER H 1 55 ASP HB2 . . 4.170 2.943 2.533 3.120 . 0 0 "[ . 1]" 1
954 1 52 SER H 1 55 ASP HB3 . . 3.730 3.443 2.641 3.743 0.013 6 0 "[ . 1]" 1
955 1 52 SER H 1 56 ILE MD . . 3.750 3.144 3.072 3.210 . 0 0 "[ . 1]" 1
956 1 52 SER H 1 100 GLY HA3 . . 5.500 4.082 3.996 4.235 . 0 0 "[ . 1]" 1
957 1 52 SER H 1 101 TYR H . . 5.210 4.656 4.583 4.792 . 0 0 "[ . 1]" 1
958 1 52 SER HA 1 100 GLY HA3 . . 4.030 2.077 2.020 2.148 . 0 0 "[ . 1]" 1
959 1 52 SER HB3 1 54 GLU H . . 4.500 4.243 4.010 4.387 . 0 0 "[ . 1]" 1
960 1 53 ARG H 1 100 GLY H . . 5.140 5.282 5.183 5.323 0.183 9 0 "[ . 1]" 1
961 1 53 ARG H 1 101 TYR H . . 4.540 2.771 2.360 3.827 . 0 0 "[ . 1]" 1
962 1 53 ARG HA 1 101 TYR QD . . 5.220 2.999 2.883 3.309 . 0 0 "[ . 1]" 1
963 1 53 ARG HA 1 101 TYR QE . . 4.810 3.238 3.029 3.510 . 0 0 "[ . 1]" 1
964 1 53 ARG HB3 1 101 TYR QE . . 3.830 3.293 3.101 3.453 . 0 0 "[ . 1]" 1
965 1 53 ARG HG2 1 101 TYR QE . . 4.240 3.140 3.033 3.374 . 0 0 "[ . 1]" 1
966 1 53 ARG O 1 57 PHE H . . 2.000 2.185 2.166 2.212 0.212 2 0 "[ . 1]" 1
967 1 53 ARG O 1 57 PHE N . . 3.000 3.198 3.178 3.221 0.221 2 0 "[ . 1]" 1
968 1 54 GLU H 1 54 GLU HB3 . . 3.640 2.536 2.471 2.621 . 0 0 "[ . 1]" 1
969 1 54 GLU H 1 54 GLU HG2 . . 4.250 2.163 1.973 2.229 . 0 0 "[ . 1]" 1
970 1 54 GLU H 1 54 GLU HG3 . . 4.410 3.544 3.357 3.616 . 0 0 "[ . 1]" 1
971 1 54 GLU H 1 55 ASP H . . 3.810 2.592 2.494 2.727 . 0 0 "[ . 1]" 1
972 1 54 GLU H 1 55 ASP HB3 . . 5.500 5.414 5.066 5.546 0.046 6 0 "[ . 1]" 1
973 1 54 GLU H 1 56 ILE MD . . 4.520 3.630 3.564 3.765 . 0 0 "[ . 1]" 1
974 1 54 GLU HA 1 54 GLU HG2 . . 3.760 3.727 3.713 3.744 . 0 0 "[ . 1]" 1
975 1 54 GLU HA 1 54 GLU HG3 . . 3.800 3.815 3.807 3.836 0.036 6 0 "[ . 1]" 1
976 1 54 GLU HA 1 55 ASP H . . 3.530 3.584 3.575 3.605 0.075 8 0 "[ . 1]" 1
977 1 54 GLU HA 1 56 ILE MD . . 5.320 4.377 4.301 4.465 . 0 0 "[ . 1]" 1
978 1 54 GLU HA 1 57 PHE H . . 4.040 3.374 3.320 3.407 . 0 0 "[ . 1]" 1
979 1 54 GLU HA 1 57 PHE HB2 . . 4.440 3.397 3.228 3.596 . 0 0 "[ . 1]" 1
980 1 54 GLU HA 1 57 PHE HB3 . . 4.270 3.017 2.956 3.156 . 0 0 "[ . 1]" 1
981 1 54 GLU HA 1 57 PHE QD . . 5.020 4.206 4.078 4.421 . 0 0 "[ . 1]" 1
982 1 54 GLU HA 1 72 ILE MG . . 4.740 4.024 3.996 4.051 . 0 0 "[ . 1]" 1
983 1 54 GLU HB3 1 55 ASP H . . 4.210 3.989 3.950 4.081 . 0 0 "[ . 1]" 1
984 1 54 GLU HG2 1 55 ASP HB3 . . 5.500 5.176 4.780 5.409 . 0 0 "[ . 1]" 1
985 1 54 GLU HG2 1 56 ILE MD . . 5.500 4.656 4.630 4.675 . 0 0 "[ . 1]" 1
986 1 54 GLU HG3 1 55 ASP H . . 3.690 2.688 2.570 2.763 . 0 0 "[ . 1]" 1
987 1 54 GLU HG3 1 55 ASP HA . . 5.500 3.452 3.359 3.612 . 0 0 "[ . 1]" 1
988 1 54 GLU HG3 1 55 ASP HB3 . . 5.500 5.288 5.085 5.427 . 0 0 "[ . 1]" 1
989 1 54 GLU O 1 58 GLU H . . 2.000 1.782 1.761 1.792 . 0 0 "[ . 1]" 1
990 1 54 GLU O 1 58 GLU N . . 3.000 2.762 2.733 2.774 . 0 0 "[ . 1]" 1
991 1 55 ASP H 1 55 ASP HB2 . . 4.060 2.131 2.039 2.330 . 0 0 "[ . 1]" 1
992 1 55 ASP H 1 55 ASP HB3 . . 3.460 3.109 2.754 3.295 . 0 0 "[ . 1]" 1
993 1 55 ASP H 1 56 ILE MD . . 3.840 3.116 3.065 3.191 . 0 0 "[ . 1]" 1
994 1 55 ASP HA 1 58 GLU HB2 . . 3.510 2.755 2.714 2.821 . 0 0 "[ . 1]" 1
995 1 55 ASP HA 1 58 GLU HB3 . . 4.180 4.209 4.186 4.240 0.060 2 0 "[ . 1]" 1
996 1 55 ASP HA 1 58 GLU HG2 . . 5.360 4.601 4.534 4.664 . 0 0 "[ . 1]" 1
997 1 55 ASP HA 1 58 GLU HG3 . . 5.500 4.015 3.926 4.218 . 0 0 "[ . 1]" 1
998 1 55 ASP HB2 1 56 ILE MD . . 5.210 3.169 2.909 3.547 . 0 0 "[ . 1]" 1
999 1 55 ASP HB3 1 56 ILE H . . 3.990 2.558 2.282 2.757 . 0 0 "[ . 1]" 1
1000 1 55 ASP HB3 1 56 ILE HB . . 5.500 4.967 4.685 5.137 . 0 0 "[ . 1]" 1
1001 1 55 ASP HB3 1 56 ILE MD . . 3.720 2.669 2.196 2.994 . 0 0 "[ . 1]" 1
1002 1 55 ASP O 1 59 ARG H . . 2.000 2.099 2.074 2.120 0.120 2 0 "[ . 1]" 1
1003 1 55 ASP O 1 59 ARG N . . 3.000 2.972 2.947 3.013 0.013 8 0 "[ . 1]" 1
1004 1 56 ILE H 1 56 ILE HB . . 3.280 2.552 2.536 2.567 . 0 0 "[ . 1]" 1
1005 1 56 ILE H 1 56 ILE MD . . 3.100 1.733 1.671 1.831 . 0 0 "[ . 1]" 1
1006 1 56 ILE H 1 57 PHE H . . 3.510 2.923 2.880 3.001 . 0 0 "[ . 1]" 1
1007 1 56 ILE HA 1 56 ILE MG . . 3.590 2.368 2.334 2.397 . 0 0 "[ . 1]" 1
1008 1 56 ILE HA 1 59 ARG H . . 4.790 3.623 3.509 3.801 . 0 0 "[ . 1]" 1
1009 1 56 ILE HA 1 59 ARG HB2 . . 4.390 3.499 3.267 3.892 . 0 0 "[ . 1]" 1
1010 1 56 ILE HA 1 60 LEU H . . 5.500 4.370 4.329 4.472 . 0 0 "[ . 1]" 1
1011 1 56 ILE HB 1 56 ILE MD . . 3.110 2.159 2.119 2.191 . 0 0 "[ . 1]" 1
1012 1 56 ILE HB 1 57 PHE H . . 3.460 2.060 1.974 2.127 . 0 0 "[ . 1]" 1
1013 1 56 ILE HB 1 57 PHE HA . . 5.270 4.076 3.983 4.153 . 0 0 "[ . 1]" 1
1014 1 56 ILE MD 1 100 GLY HA3 . . 5.500 3.956 3.937 3.977 . 0 0 "[ . 1]" 1
1015 1 56 ILE MD 1 101 TYR H . . 4.420 3.194 2.852 3.337 . 0 0 "[ . 1]" 1
1016 1 56 ILE MD 1 101 TYR HB2 . . 4.680 2.635 2.267 2.805 . 0 0 "[ . 1]" 1
1017 1 56 ILE MD 1 101 TYR HB3 . . 5.500 4.148 3.721 4.332 . 0 0 "[ . 1]" 1
1018 1 56 ILE MD 1 101 TYR QD . . 4.130 3.013 2.596 3.094 . 0 0 "[ . 1]" 1
1019 1 56 ILE MG 1 57 PHE H . . 3.320 2.877 2.856 2.890 . 0 0 "[ . 1]" 1
1020 1 56 ILE MG 1 57 PHE HA . . 4.250 3.032 3.002 3.072 . 0 0 "[ . 1]" 1
1021 1 56 ILE O 1 60 LEU H . . 2.000 2.082 2.059 2.137 0.137 2 0 "[ . 1]" 1
1022 1 56 ILE O 1 60 LEU N . . 3.000 3.070 3.047 3.119 0.119 2 0 "[ . 1]" 1
1023 1 57 PHE H 1 57 PHE HB3 . . 3.120 2.886 2.845 2.919 . 0 0 "[ . 1]" 1
1024 1 57 PHE H 1 57 PHE QD . . 4.530 4.109 4.100 4.125 . 0 0 "[ . 1]" 1
1025 1 57 PHE H 1 58 GLU H . . 3.700 2.833 2.773 2.866 . 0 0 "[ . 1]" 1
1026 1 57 PHE H 1 58 GLU HB2 . . 4.760 4.820 4.804 4.837 0.077 9 0 "[ . 1]" 1
1027 1 57 PHE HA 1 57 PHE QD . . 3.730 2.019 1.977 2.063 . 0 0 "[ . 1]" 1
1028 1 57 PHE HA 1 60 LEU H . . 4.000 3.225 3.175 3.273 . 0 0 "[ . 1]" 1
1029 1 57 PHE HA 1 60 LEU MD1 . . 4.610 3.011 2.939 3.043 . 0 0 "[ . 1]" 1
1030 1 57 PHE HA 1 60 LEU MD2 . . 4.030 2.115 2.067 2.205 . 0 0 "[ . 1]" 1
1031 1 57 PHE HA 1 60 LEU HG . . 5.210 2.269 2.169 2.362 . 0 0 "[ . 1]" 1
1032 1 57 PHE HA 1 61 ARG HB2 . . 5.500 4.312 3.928 4.621 . 0 0 "[ . 1]" 1
1033 1 57 PHE HB2 1 58 GLU H . . 3.340 3.496 3.475 3.517 0.177 9 0 "[ . 1]" 1
1034 1 57 PHE HB2 1 58 GLU HG2 . . 4.720 4.799 4.781 4.817 0.097 2 0 "[ . 1]" 1
1035 1 57 PHE HB2 1 60 LEU H . . 5.500 5.572 5.552 5.590 0.090 1 0 "[ . 1]" 1
1036 1 57 PHE HB2 1 60 LEU MD1 . . 5.390 4.595 4.568 4.613 . 0 0 "[ . 1]" 1
1037 1 57 PHE HB2 1 72 ILE MG . . 5.500 2.924 2.391 3.368 . 0 0 "[ . 1]" 1
1038 1 57 PHE HB3 1 72 ILE MG . . 5.110 3.812 3.454 4.151 . 0 0 "[ . 1]" 1
1039 1 57 PHE QD 1 58 GLU H . . 4.870 4.376 4.367 4.389 . 0 0 "[ . 1]" 1
1040 1 57 PHE QD 1 60 LEU H . . 4.890 4.100 3.971 4.181 . 0 0 "[ . 1]" 1
1041 1 57 PHE QD 1 60 LEU HB2 . . 5.500 4.710 4.613 4.823 . 0 0 "[ . 1]" 1
1042 1 57 PHE QD 1 60 LEU MD1 . . 3.750 2.231 2.170 2.330 . 0 0 "[ . 1]" 1
1043 1 57 PHE QD 1 60 LEU MD2 . . 3.900 2.960 2.945 2.984 . 0 0 "[ . 1]" 1
1044 1 57 PHE QD 1 60 LEU HG . . 5.390 2.194 2.089 2.265 . 0 0 "[ . 1]" 1
1045 1 57 PHE QD 1 61 ARG HA . . 5.450 4.917 4.890 4.966 . 0 0 "[ . 1]" 1
1046 1 57 PHE QD 1 61 ARG HB2 . . 4.650 2.558 2.206 2.934 . 0 0 "[ . 1]" 1
1047 1 57 PHE QD 1 62 GLY H . . 5.500 3.637 2.408 4.914 . 0 0 "[ . 1]" 1
1048 1 57 PHE QD 1 72 ILE HB . . 5.500 4.934 4.910 4.960 . 0 0 "[ . 1]" 1
1049 1 57 PHE QD 1 72 ILE HG12 . . 5.500 4.476 4.010 4.827 . 0 0 "[ . 1]" 1
1050 1 57 PHE QD 1 72 ILE HG13 . . 5.500 4.184 3.459 4.703 . 0 0 "[ . 1]" 1
1051 1 57 PHE QD 1 72 ILE MG . . 4.260 2.295 2.167 2.370 . 0 0 "[ . 1]" 1
1052 1 57 PHE QE 1 60 LEU MD1 . . 3.450 2.587 2.574 2.603 . 0 0 "[ . 1]" 1
1053 1 57 PHE QE 1 60 LEU HG . . 5.060 3.986 3.800 4.127 . 0 0 "[ . 1]" 1
1054 1 57 PHE QE 1 61 ARG HA . . 5.500 4.944 4.914 4.964 . 0 0 "[ . 1]" 1
1055 1 57 PHE QE 1 61 ARG HG3 . . 4.810 2.808 2.184 4.028 . 0 0 "[ . 1]" 1
1056 1 57 PHE QE 1 62 GLY H . . 5.500 4.055 2.633 4.804 . 0 0 "[ . 1]" 1
1057 1 58 GLU H 1 58 GLU HB2 . . 2.990 2.373 2.336 2.408 . 0 0 "[ . 1]" 1
1058 1 58 GLU H 1 58 GLU HG2 . . 3.540 2.390 2.315 2.440 . 0 0 "[ . 1]" 1
1059 1 58 GLU H 1 58 GLU HG3 . . 4.070 3.570 3.501 3.667 . 0 0 "[ . 1]" 1
1060 1 58 GLU H 1 59 ARG H . . 3.530 2.852 2.815 2.918 . 0 0 "[ . 1]" 1
1061 1 58 GLU HA 1 58 GLU HG2 . . 3.530 2.841 2.802 2.911 . 0 0 "[ . 1]" 1
1062 1 58 GLU HA 1 58 GLU HG3 . . 3.950 3.735 3.716 3.760 . 0 0 "[ . 1]" 1
1063 1 58 GLU HB2 1 59 ARG H . . 3.850 2.966 2.845 3.067 . 0 0 "[ . 1]" 1
1064 1 59 ARG HA 1 59 ARG HG2 . . 3.050 2.560 2.349 3.349 0.299 1 0 "[ . 1]" 1
1065 1 61 ARG H 1 61 ARG HB2 . . 3.400 2.766 2.615 3.034 . 0 0 "[ . 1]" 1
1066 1 61 ARG H 1 61 ARG HB3 . . 3.890 3.635 3.109 3.908 0.018 9 0 "[ . 1]" 1
1067 1 61 ARG H 1 61 ARG HG2 . . 5.500 3.954 3.331 5.135 . 0 0 "[ . 1]" 1
1068 1 61 ARG H 1 62 GLY H . . 4.420 3.082 2.108 4.296 . 0 0 "[ . 1]" 1
1069 1 61 ARG HA 1 61 ARG HD2 . . 3.730 3.399 3.099 3.763 0.033 6 0 "[ . 1]" 1
1070 1 61 ARG HA 1 61 ARG HD3 . . 3.850 2.176 2.051 2.451 . 0 0 "[ . 1]" 1
1071 1 61 ARG HA 1 61 ARG HG2 . . 3.930 2.937 2.298 3.655 . 0 0 "[ . 1]" 1
1072 1 61 ARG HA 1 63 ILE MD . . 4.660 3.162 2.164 3.943 . 0 0 "[ . 1]" 1
1073 1 61 ARG HB2 1 61 ARG HD3 . . 4.050 3.742 3.322 3.867 . 0 0 "[ . 1]" 1
1074 1 61 ARG HB3 1 61 ARG HD2 . . 3.960 2.949 2.528 4.170 0.210 10 0 "[ . 1]" 1
1075 1 61 ARG HB3 1 61 ARG HD3 . . 3.980 3.170 2.844 3.850 . 0 0 "[ . 1]" 1
1076 1 61 ARG HD2 1 63 ILE MD . . 4.380 3.331 2.062 3.679 . 0 0 "[ . 1]" 1
1077 1 61 ARG HD2 1 63 ILE MG . . 5.500 4.061 3.643 4.628 . 0 0 "[ . 1]" 1
1078 1 61 ARG HD3 1 63 ILE MD . . 4.740 2.986 2.182 3.652 . 0 0 "[ . 1]" 1
1079 1 61 ARG HD3 1 63 ILE MG . . 5.500 4.603 4.427 4.639 . 0 0 "[ . 1]" 1
1080 1 62 GLY H 1 63 ILE HA . . 5.200 5.157 4.511 5.275 0.075 1 0 "[ . 1]" 1
1081 1 63 ILE H 1 63 ILE HB . . 3.770 2.680 2.289 3.727 . 0 0 "[ . 1]" 1
1082 1 63 ILE H 1 63 ILE HG12 . . 4.150 2.921 1.948 4.156 0.006 9 0 "[ . 1]" 1
1083 1 63 ILE H 1 64 GLU H . . 4.740 3.776 2.423 4.680 . 0 0 "[ . 1]" 1
1084 1 63 ILE HA 1 63 ILE HG13 . . 3.640 3.389 2.405 3.868 0.228 6 0 "[ . 1]" 1
1085 1 63 ILE HA 1 63 ILE MG . . 2.950 2.362 2.115 2.525 . 0 0 "[ . 1]" 1
1086 1 63 ILE HA 1 64 GLU H . . 3.360 2.846 2.277 3.484 0.124 9 0 "[ . 1]" 1
1087 1 63 ILE HB 1 64 GLU H . . 3.180 2.834 2.317 3.286 0.106 8 0 "[ . 1]" 1
1088 1 63 ILE HG13 1 63 ILE MG . . 3.320 2.301 2.144 2.645 . 0 0 "[ . 1]" 1
1089 1 63 ILE HG13 1 64 GLU H . . 5.200 4.814 4.661 5.027 . 0 0 "[ . 1]" 1
1090 1 63 ILE MG 1 64 GLU H . . 3.430 2.383 1.771 2.938 . 0 0 "[ . 1]" 1
1091 1 64 GLU H 1 64 GLU HG2 . . 5.160 3.324 2.497 4.688 . 0 0 "[ . 1]" 1
1092 1 64 GLU H 1 64 GLU HG3 . . 5.500 3.309 2.179 4.838 . 0 0 "[ . 1]" 1
1093 1 64 GLU HA 1 64 GLU HG2 . . 3.230 2.814 2.433 3.265 0.035 1 0 "[ . 1]" 1
1094 1 64 GLU HA 1 64 GLU HG3 . . 3.610 3.280 2.458 3.699 0.089 9 0 "[ . 1]" 1
1095 1 72 ILE HA 1 75 ARG HB3 . . 4.650 3.641 2.552 4.799 0.149 6 0 "[ . 1]" 1
1096 1 72 ILE HA 1 75 ARG HD3 . . 5.500 3.582 2.299 5.259 . 0 0 "[ . 1]" 1
1097 1 72 ILE HB 1 76 ILE MD . . 5.500 4.647 4.612 4.667 . 0 0 "[ . 1]" 1
1098 1 72 ILE MD 1 74 VAL H . . 4.450 3.807 3.793 3.832 . 0 0 "[ . 1]" 1
1099 1 72 ILE O 1 76 ILE H . . 2.000 1.986 1.914 2.035 0.035 6 0 "[ . 1]" 1
1100 1 72 ILE O 1 76 ILE N . . 3.000 2.995 2.920 3.049 0.049 6 0 "[ . 1]" 1
1101 1 73 ASP H 1 73 ASP HB2 . . 3.720 2.577 2.448 2.789 . 0 0 "[ . 1]" 1
1102 1 73 ASP H 1 74 VAL MG2 . . 4.940 4.142 4.115 4.175 . 0 0 "[ . 1]" 1
1103 1 73 ASP HA 1 76 ILE H . . 4.100 3.685 3.556 3.919 . 0 0 "[ . 1]" 1
1104 1 73 ASP HA 1 76 ILE HB . . 4.050 2.645 2.537 2.800 . 0 0 "[ . 1]" 1
1105 1 73 ASP HA 1 76 ILE HG13 . . 4.610 3.612 3.397 3.840 . 0 0 "[ . 1]" 1
1106 1 73 ASP HA 1 76 ILE MG . . 4.900 3.868 3.783 3.967 . 0 0 "[ . 1]" 1
1107 1 73 ASP HA 1 101 TYR QE . . 4.650 3.242 3.140 3.352 . 0 0 "[ . 1]" 1
1108 1 73 ASP HB2 1 74 VAL H . . 4.130 2.953 2.784 3.244 . 0 0 "[ . 1]" 1
1109 1 73 ASP HB2 1 74 VAL MG2 . . 3.790 3.132 3.027 3.184 . 0 0 "[ . 1]" 1
1110 1 73 ASP HB3 1 76 ILE HB . . 5.500 4.492 4.272 4.761 . 0 0 "[ . 1]" 1
1111 1 73 ASP O 1 77 SER H . . 2.000 2.002 1.958 2.027 0.027 9 0 "[ . 1]" 1
1112 1 73 ASP O 1 77 SER N . . 3.000 2.955 2.900 2.998 . 0 0 "[ . 1]" 1
1113 1 74 VAL H 1 74 VAL HB . . 3.760 2.394 2.352 2.453 . 0 0 "[ . 1]" 1
1114 1 74 VAL H 1 74 VAL MG2 . . 3.570 2.465 2.337 2.629 . 0 0 "[ . 1]" 1
1115 1 74 VAL H 1 75 ARG HA . . 5.470 5.002 4.778 5.180 . 0 0 "[ . 1]" 1
1116 1 74 VAL H 1 75 ARG HB2 . . 5.500 5.278 4.745 5.689 0.189 7 0 "[ . 1]" 1
1117 1 74 VAL H 1 76 ILE H . . 4.930 3.948 3.670 4.151 . 0 0 "[ . 1]" 1
1118 1 74 VAL HA 1 74 VAL MG1 . . 3.260 2.542 2.510 2.571 . 0 0 "[ . 1]" 1
1119 1 74 VAL HA 1 74 VAL MG2 . . 2.760 2.177 2.142 2.201 . 0 0 "[ . 1]" 1
1120 1 74 VAL HA 1 76 ILE H . . 4.530 4.597 4.570 4.626 0.096 3 0 "[ . 1]" 1
1121 1 74 VAL HA 1 77 SER H . . 3.930 3.027 2.992 3.093 . 0 0 "[ . 1]" 1
1122 1 74 VAL HA 1 77 SER HB3 . . 3.790 2.242 2.152 2.355 . 0 0 "[ . 1]" 1
1123 1 74 VAL HB 1 75 ARG HA . . 4.550 4.444 4.400 4.494 . 0 0 "[ . 1]" 1
1124 1 74 VAL MG1 1 75 ARG H . . 4.260 3.182 3.149 3.228 . 0 0 "[ . 1]" 1
1125 1 74 VAL MG1 1 75 ARG HA . . 3.700 3.188 3.165 3.207 . 0 0 "[ . 1]" 1
1126 1 74 VAL MG1 1 77 SER HB3 . . 5.300 3.397 3.274 3.575 . 0 0 "[ . 1]" 1
1127 1 74 VAL MG2 1 75 ARG H . . 4.560 3.849 3.824 3.878 . 0 0 "[ . 1]" 1
1128 1 74 VAL MG2 1 77 SER H . . 5.500 4.690 4.675 4.715 . 0 0 "[ . 1]" 1
1129 1 74 VAL MG2 1 77 SER HB3 . . 4.790 3.704 3.658 3.770 . 0 0 "[ . 1]" 1
1130 1 74 VAL O 1 78 ARG H . . 2.000 2.154 2.112 2.188 0.188 7 0 "[ . 1]" 1
1131 1 74 VAL O 1 78 ARG N . . 3.000 2.861 2.843 2.885 . 0 0 "[ . 1]" 1
1132 1 75 ARG H 1 75 ARG HB3 . . 3.930 2.555 2.134 3.785 . 0 0 "[ . 1]" 1
1133 1 75 ARG H 1 76 ILE H . . 3.970 2.890 2.867 2.919 . 0 0 "[ . 1]" 1
1134 1 75 ARG HA 1 75 ARG HD2 . . 4.490 4.026 3.749 4.260 . 0 0 "[ . 1]" 1
1135 1 75 ARG HA 1 75 ARG HD3 . . 5.100 4.931 4.590 5.193 0.093 7 0 "[ . 1]" 1
1136 1 75 ARG HA 1 75 ARG HG2 . . 4.220 3.157 2.495 3.504 . 0 0 "[ . 1]" 1
1137 1 75 ARG HA 1 75 ARG HG3 . . 4.210 3.527 2.493 4.016 . 0 0 "[ . 1]" 1
1138 1 75 ARG HA 1 78 ARG H . . 3.760 3.006 2.779 3.238 . 0 0 "[ . 1]" 1
1139 1 75 ARG HA 1 79 ILE MD . . 4.490 3.666 3.321 3.793 . 0 0 "[ . 1]" 1
1140 1 75 ARG HB3 1 76 ILE H . . 4.180 3.477 2.766 4.069 . 0 0 "[ . 1]" 1
1141 1 75 ARG HD2 1 77 SER H . . 5.480 5.517 5.350 5.692 0.212 8 0 "[ . 1]" 1
1142 1 75 ARG O 1 79 ILE H . . 2.000 1.889 1.782 2.016 0.016 1 0 "[ . 1]" 1
1143 1 75 ARG O 1 79 ILE N . . 3.000 2.834 2.753 2.958 . 0 0 "[ . 1]" 1
1144 1 76 ILE H 1 76 ILE HB . . 3.200 2.461 2.428 2.494 . 0 0 "[ . 1]" 1
1145 1 76 ILE H 1 76 ILE MD . . 3.990 3.219 2.889 3.330 . 0 0 "[ . 1]" 1
1146 1 76 ILE H 1 76 ILE HG13 . . 3.580 3.650 3.636 3.667 0.087 5 0 "[ . 1]" 1
1147 1 76 ILE H 1 77 SER H . . 3.450 2.951 2.869 3.024 . 0 0 "[ . 1]" 1
1148 1 76 ILE H 1 79 ILE MD . . 4.020 3.434 3.387 3.476 . 0 0 "[ . 1]" 1
1149 1 76 ILE HA 1 76 ILE MD . . 3.490 2.139 2.083 2.165 . 0 0 "[ . 1]" 1
1150 1 76 ILE HA 1 76 ILE HG13 . . 4.080 3.680 3.648 3.700 . 0 0 "[ . 1]" 1
1151 1 76 ILE HA 1 76 ILE MG . . 3.580 2.529 2.502 2.556 . 0 0 "[ . 1]" 1
1152 1 76 ILE HA 1 78 ARG H . . 4.490 3.907 3.831 4.019 . 0 0 "[ . 1]" 1
1153 1 76 ILE HA 1 79 ILE H . . 4.270 2.946 2.886 3.114 . 0 0 "[ . 1]" 1
1154 1 76 ILE HA 1 79 ILE HB . . 4.290 2.240 2.219 2.294 . 0 0 "[ . 1]" 1
1155 1 76 ILE HA 1 79 ILE MD . . 3.690 2.204 2.108 2.376 . 0 0 "[ . 1]" 1
1156 1 76 ILE HA 1 79 ILE MG . . 4.520 3.800 3.788 3.814 . 0 0 "[ . 1]" 1
1157 1 76 ILE HB 1 77 SER H . . 3.230 2.538 2.505 2.575 . 0 0 "[ . 1]" 1
1158 1 76 ILE HB 1 77 SER HB2 . . 4.930 4.271 4.193 4.314 . 0 0 "[ . 1]" 1
1159 1 76 ILE HB 1 77 SER HB3 . . 5.020 5.063 5.046 5.088 0.068 1 0 "[ . 1]" 1
1160 1 76 ILE HB 1 101 TYR QD . . 5.500 4.917 4.868 4.941 . 0 0 "[ . 1]" 1
1161 1 76 ILE HB 1 101 TYR QE . . 5.270 3.919 3.864 4.020 . 0 0 "[ . 1]" 1
1162 1 76 ILE MD 1 79 ILE H . . 5.230 4.441 4.424 4.454 . 0 0 "[ . 1]" 1
1163 1 76 ILE MD 1 79 ILE HB . . 5.430 3.188 3.133 3.287 . 0 0 "[ . 1]" 1
1164 1 76 ILE MD 1 79 ILE MD . . 3.770 2.577 2.516 2.625 . 0 0 "[ . 1]" 1
1165 1 76 ILE MD 1 79 ILE HG12 . . 5.500 2.905 2.835 3.083 . 0 0 "[ . 1]" 1
1166 1 76 ILE MD 1 79 ILE HG13 . . 5.500 4.341 4.294 4.461 . 0 0 "[ . 1]" 1
1167 1 76 ILE MD 1 93 ILE MD . . 3.290 2.347 2.314 2.361 . 0 0 "[ . 1]" 1
1168 1 76 ILE MD 1 93 ILE MG . . 2.990 2.104 2.086 2.116 . 0 0 "[ . 1]" 1
1169 1 76 ILE MD 1 101 TYR HB2 . . 5.500 4.278 4.201 4.343 . 0 0 "[ . 1]" 1
1170 1 76 ILE MD 1 101 TYR HB3 . . 4.490 3.569 3.389 3.655 . 0 0 "[ . 1]" 1
1171 1 76 ILE MD 1 101 TYR QD . . 3.620 2.706 2.605 2.740 . 0 0 "[ . 1]" 1
1172 1 76 ILE MD 1 101 TYR QE . . 3.750 2.873 2.860 2.890 . 0 0 "[ . 1]" 1
1173 1 76 ILE HG13 1 76 ILE MG . . 3.460 2.215 2.183 2.249 . 0 0 "[ . 1]" 1
1174 1 76 ILE MG 1 77 SER H . . 3.630 3.139 3.111 3.205 . 0 0 "[ . 1]" 1
1175 1 76 ILE MG 1 77 SER HB2 . . 4.750 3.977 3.951 4.006 . 0 0 "[ . 1]" 1
1176 1 76 ILE MG 1 93 ILE HA . . 5.500 4.701 4.676 4.732 . 0 0 "[ . 1]" 1
1177 1 76 ILE MG 1 93 ILE HB . . 4.780 2.400 2.342 2.461 . 0 0 "[ . 1]" 1
1178 1 76 ILE MG 1 93 ILE MD . . 3.030 2.130 2.121 2.138 . 0 0 "[ . 1]" 1
1179 1 76 ILE MG 1 101 TYR HB3 . . 5.500 4.421 4.252 4.482 . 0 0 "[ . 1]" 1
1180 1 76 ILE MG 1 101 TYR QD . . 4.440 3.327 3.311 3.336 . 0 0 "[ . 1]" 1
1181 1 76 ILE MG 1 101 TYR QE . . 4.770 3.448 3.335 3.542 . 0 0 "[ . 1]" 1
1182 1 76 ILE O 1 80 ARG H . . 2.000 1.768 1.753 1.797 . 0 0 "[ . 1]" 1
1183 1 76 ILE O 1 80 ARG N . . 3.000 2.770 2.754 2.793 . 0 0 "[ . 1]" 1
1184 1 77 SER H 1 77 SER HB2 . . 3.530 2.413 2.361 2.487 . 0 0 "[ . 1]" 1
1185 1 77 SER H 1 77 SER HB3 . . 3.100 2.636 2.600 2.693 . 0 0 "[ . 1]" 1
1186 1 77 SER H 1 78 ARG H . . 3.470 2.940 2.865 2.990 . 0 0 "[ . 1]" 1
1187 1 77 SER HA 1 77 SER HB3 . . 3.020 3.016 3.012 3.023 0.003 7 0 "[ . 1]" 1
1188 1 77 SER HA 1 81 PRO HD2 . . 4.970 4.014 3.934 4.074 . 0 0 "[ . 1]" 1
1189 1 78 ARG H 1 78 ARG HD2 . . 5.500 4.623 3.778 5.066 . 0 0 "[ . 1]" 1
1190 1 78 ARG H 1 78 ARG HD3 . . 5.500 4.403 3.595 5.020 . 0 0 "[ . 1]" 1
1191 1 78 ARG H 1 79 ILE H . . 3.440 2.458 2.421 2.510 . 0 0 "[ . 1]" 1
1192 1 78 ARG H 1 79 ILE HA . . 5.220 5.151 5.124 5.192 . 0 0 "[ . 1]" 1
1193 1 78 ARG H 1 79 ILE MD . . 4.380 3.670 3.650 3.685 . 0 0 "[ . 1]" 1
1194 1 78 ARG HA 1 78 ARG HD2 . . 4.950 3.898 2.840 4.834 . 0 0 "[ . 1]" 1
1195 1 78 ARG HA 1 78 ARG HD3 . . 5.300 3.459 2.081 4.835 . 0 0 "[ . 1]" 1
1196 1 78 ARG HA 1 78 ARG HG3 . . 4.080 3.464 3.024 3.850 . 0 0 "[ . 1]" 1
1197 1 78 ARG HA 1 81 PRO HD2 . . 5.280 2.303 2.129 2.449 . 0 0 "[ . 1]" 1
1198 1 78 ARG HA 1 81 PRO HD3 . . 4.480 3.572 3.419 3.738 . 0 0 "[ . 1]" 1
1199 1 78 ARG O 1 82 LYS H . . 2.000 2.144 2.123 2.162 0.162 10 0 "[ . 1]" 1
1200 1 78 ARG O 1 82 LYS N . . 3.000 3.116 3.103 3.126 0.126 1 0 "[ . 1]" 1
1201 1 79 ILE H 1 79 ILE HB . . 3.120 2.503 2.484 2.515 . 0 0 "[ . 1]" 1
1202 1 79 ILE H 1 79 ILE MD . . 3.500 2.127 2.089 2.155 . 0 0 "[ . 1]" 1
1203 1 79 ILE H 1 82 LYS HB2 . . 4.740 4.736 4.643 4.765 0.025 3 0 "[ . 1]" 1
1204 1 79 ILE HA 1 79 ILE MD . . 3.970 2.905 2.861 2.987 . 0 0 "[ . 1]" 1
1205 1 79 ILE HA 1 79 ILE HG13 . . 4.240 2.776 2.716 2.853 . 0 0 "[ . 1]" 1
1206 1 79 ILE HA 1 79 ILE MG . . 3.530 2.512 2.470 2.563 . 0 0 "[ . 1]" 1
1207 1 79 ILE HA 1 82 LYS H . . 4.720 3.364 3.340 3.404 . 0 0 "[ . 1]" 1
1208 1 79 ILE HA 1 82 LYS HB2 . . 4.450 2.235 2.193 2.253 . 0 0 "[ . 1]" 1
1209 1 79 ILE HA 1 82 LYS HB3 . . 4.450 3.737 3.600 3.765 . 0 0 "[ . 1]" 1
1210 1 79 ILE HA 1 82 LYS HD2 . . 4.980 4.656 4.487 5.091 0.111 10 0 "[ . 1]" 1
1211 1 79 ILE HA 1 82 LYS HD3 . . 5.020 4.960 3.905 5.104 0.084 6 0 "[ . 1]" 1
1212 1 79 ILE HA 1 82 LYS HE2 . . 4.720 2.344 2.301 2.408 . 0 0 "[ . 1]" 1
1213 1 79 ILE HA 1 82 LYS HG3 . . 5.310 4.268 4.202 4.697 . 0 0 "[ . 1]" 1
1214 1 79 ILE HB 1 79 ILE MD . . 2.900 2.455 2.445 2.465 . 0 0 "[ . 1]" 1
1215 1 79 ILE HB 1 80 ARG H . . 3.510 2.595 2.546 2.625 . 0 0 "[ . 1]" 1
1216 1 79 ILE HB 1 82 LYS HE2 . . 5.100 5.121 5.099 5.154 0.054 10 0 "[ . 1]" 1
1217 1 79 ILE MD 1 80 ARG H . . 4.660 3.997 3.988 4.004 . 0 0 "[ . 1]" 1
1218 1 79 ILE MD 1 82 LYS HE2 . . 5.500 3.462 3.368 3.591 . 0 0 "[ . 1]" 1
1219 1 79 ILE MG 1 80 ARG H . . 3.870 3.238 3.231 3.249 . 0 0 "[ . 1]" 1
1220 1 79 ILE MG 1 93 ILE MD . . 2.760 1.952 1.941 1.962 . 0 0 "[ . 1]" 1
1221 1 79 ILE O 1 83 ILE H . . 2.000 1.948 1.923 1.971 . 0 0 "[ . 1]" 1
1222 1 79 ILE O 1 83 ILE N . . 3.000 2.754 2.733 2.765 . 0 0 "[ . 1]" 1
1223 1 80 ARG H 1 81 PRO HD2 . . 4.310 3.048 3.008 3.086 . 0 0 "[ . 1]" 1
1224 1 80 ARG H 1 93 ILE MD . . 4.950 3.896 3.719 4.014 . 0 0 "[ . 1]" 1
1225 1 81 PRO HA 1 84 GLY H . . 3.910 3.572 3.491 3.701 . 0 0 "[ . 1]" 1
1226 1 81 PRO HB2 1 84 GLY H . . 5.220 5.230 5.196 5.262 0.042 8 0 "[ . 1]" 1
1227 1 81 PRO HD2 1 82 LYS H . . 4.640 3.060 2.996 3.108 . 0 0 "[ . 1]" 1
1228 1 81 PRO HD2 1 82 LYS HB2 . . 5.500 4.802 4.689 4.855 . 0 0 "[ . 1]" 1
1229 1 81 PRO HD3 1 82 LYS H . . 4.870 4.156 4.083 4.205 . 0 0 "[ . 1]" 1
1230 1 81 PRO HG2 1 82 LYS H . . 3.530 2.649 2.641 2.665 . 0 0 "[ . 1]" 1
1231 1 82 LYS H 1 82 LYS HB2 . . 3.560 2.282 2.253 2.303 . 0 0 "[ . 1]" 1
1232 1 82 LYS H 1 82 LYS HD3 . . 4.750 4.757 3.699 4.907 0.157 6 0 "[ . 1]" 1
1233 1 82 LYS H 1 82 LYS HE2 . . 4.870 3.559 3.441 4.105 . 0 0 "[ . 1]" 1
1234 1 82 LYS H 1 82 LYS HG3 . . 4.110 2.722 2.676 2.996 . 0 0 "[ . 1]" 1
1235 1 82 LYS H 1 83 ILE H . . 3.460 2.699 2.638 2.719 . 0 0 "[ . 1]" 1
1236 1 82 LYS H 1 83 ILE HG12 . . 4.500 4.562 4.536 4.579 0.079 7 0 "[ . 1]" 1
1237 1 82 LYS H 1 84 GLY H . . 4.110 4.244 4.217 4.259 0.149 8 0 "[ . 1]" 1
1238 1 82 LYS HA 1 82 LYS HD2 . . 4.780 4.291 4.229 4.571 . 0 0 "[ . 1]" 1
1239 1 82 LYS HA 1 82 LYS HD3 . . 4.490 4.502 4.398 4.522 0.032 4 0 "[ . 1]" 1
1240 1 82 LYS HA 1 82 LYS HE2 . . 4.850 4.650 4.602 4.872 0.022 10 0 "[ . 1]" 1
1241 1 82 LYS HA 1 82 LYS HE3 . . 5.500 5.457 4.896 5.551 0.051 6 0 "[ . 1]" 1
1242 1 82 LYS HA 1 82 LYS HG2 . . 3.970 2.335 2.294 2.653 . 0 0 "[ . 1]" 1
1243 1 82 LYS HA 1 82 LYS HG3 . . 3.530 2.761 2.376 2.824 . 0 0 "[ . 1]" 1
1244 1 82 LYS HA 1 83 ILE MG . . 5.180 4.398 4.392 4.406 . 0 0 "[ . 1]" 1
1245 1 82 LYS HB2 1 82 LYS HD2 . . 3.810 3.241 3.100 3.688 . 0 0 "[ . 1]" 1
1246 1 82 LYS HB2 1 82 LYS HD3 . . 3.880 3.640 2.848 3.733 . 0 0 "[ . 1]" 1
1247 1 82 LYS HB2 1 82 LYS HE2 . . 3.410 2.109 2.069 2.208 . 0 0 "[ . 1]" 1
1248 1 82 LYS HB3 1 82 LYS HE2 . . 4.170 3.237 3.017 3.328 . 0 0 "[ . 1]" 1
1249 1 82 LYS HB3 1 83 ILE H . . 3.980 3.887 3.827 3.924 . 0 0 "[ . 1]" 1
1250 1 82 LYS HB3 1 83 ILE MG . . 4.580 3.434 3.358 3.498 . 0 0 "[ . 1]" 1
1251 1 82 LYS HE2 1 83 ILE H . . 5.460 5.256 5.165 5.496 0.036 10 0 "[ . 1]" 1
1252 1 82 LYS HG3 1 83 ILE H . . 5.480 4.869 4.859 4.879 . 0 0 "[ . 1]" 1
1253 1 83 ILE H 1 83 ILE HG12 . . 3.390 2.407 2.372 2.461 . 0 0 "[ . 1]" 1
1254 1 83 ILE H 1 83 ILE MG . . 3.370 2.512 2.450 2.556 . 0 0 "[ . 1]" 1
1255 1 83 ILE H 1 84 GLY H . . 3.230 2.565 2.551 2.582 . 0 0 "[ . 1]" 1
1256 1 83 ILE H 1 84 GLY HA2 . . 4.760 4.773 4.762 4.789 0.029 8 0 "[ . 1]" 1
1257 1 83 ILE HA 1 83 ILE MG . . 3.330 2.351 2.342 2.364 . 0 0 "[ . 1]" 1
1258 1 83 ILE HB 1 83 ILE MD . . 3.570 2.577 2.536 2.599 . 0 0 "[ . 1]" 1
1259 1 83 ILE MD 1 83 ILE MG . . 2.820 2.007 2.005 2.011 . 0 0 "[ . 1]" 1
1260 1 83 ILE MD 1 85 ASP H . . 5.500 4.594 4.587 4.603 . 0 0 "[ . 1]" 1
1261 1 83 ILE MD 1 85 ASP HB2 . . 5.240 3.259 3.237 3.283 . 0 0 "[ . 1]" 1
1262 1 83 ILE MD 1 85 ASP HB3 . . 5.500 4.214 4.178 4.278 . 0 0 "[ . 1]" 1
1263 1 83 ILE MD 1 92 ARG H . . 4.550 3.810 3.797 3.839 . 0 0 "[ . 1]" 1
1264 1 83 ILE MD 1 92 ARG HA . . 4.830 4.161 4.134 4.183 . 0 0 "[ . 1]" 1
1265 1 83 ILE MD 1 92 ARG HB2 . . 4.300 1.973 1.963 1.984 . 0 0 "[ . 1]" 1
1266 1 83 ILE MD 1 92 ARG HB3 . . 3.470 2.296 2.223 2.366 . 0 0 "[ . 1]" 1
1267 1 83 ILE MD 1 92 ARG HD2 . . 4.840 3.173 2.931 3.302 . 0 0 "[ . 1]" 1
1268 1 83 ILE MD 1 92 ARG HD3 . . 4.460 3.724 3.648 3.768 . 0 0 "[ . 1]" 1
1269 1 83 ILE MD 1 92 ARG HG2 . . 3.790 3.274 3.254 3.292 . 0 0 "[ . 1]" 1
1270 1 83 ILE MD 1 92 ARG HG3 . . 4.230 2.011 1.998 2.024 . 0 0 "[ . 1]" 1
1271 1 83 ILE MD 1 103 PHE QD . . 5.240 3.901 3.886 3.916 . 0 0 "[ . 1]" 1
1272 1 83 ILE MD 1 103 PHE QE . . 4.070 2.347 2.304 2.401 . 0 0 "[ . 1]" 1
1273 1 83 ILE MD 1 103 PHE HZ . . 4.370 2.852 2.683 2.942 . 0 0 "[ . 1]" 1
1274 1 83 ILE HG12 1 83 ILE MG . . 3.490 2.331 2.304 2.351 . 0 0 "[ . 1]" 1
1275 1 83 ILE HG12 1 84 GLY H . . 4.260 4.180 4.145 4.247 . 0 0 "[ . 1]" 1
1276 1 83 ILE HG12 1 85 ASP HB2 . . 5.480 2.809 2.754 2.846 . 0 0 "[ . 1]" 1
1277 1 83 ILE HG12 1 85 ASP HB3 . . 5.500 3.985 3.966 4.018 . 0 0 "[ . 1]" 1
1278 1 83 ILE HG13 1 84 GLY H . . 4.570 4.201 4.178 4.222 . 0 0 "[ . 1]" 1
1279 1 83 ILE HG13 1 84 GLY HA2 . . 5.500 5.530 5.518 5.546 0.046 1 0 "[ . 1]" 1
1280 1 83 ILE HG13 1 85 ASP HA . . 5.170 4.355 4.214 4.441 . 0 0 "[ . 1]" 1
1281 1 83 ILE HG13 1 85 ASP HB2 . . 5.500 2.214 2.193 2.250 . 0 0 "[ . 1]" 1
1282 1 83 ILE HG13 1 85 ASP HB3 . . 5.500 3.888 3.863 3.921 . 0 0 "[ . 1]" 1
1283 1 83 ILE MG 1 85 ASP HB2 . . 5.500 4.666 4.641 4.682 . 0 0 "[ . 1]" 1
1284 1 85 ASP HA 1 90 PRO HA . . 4.290 4.321 4.300 4.367 0.077 2 0 "[ . 1]" 1
1285 1 85 ASP HA 1 90 PRO HB2 . . 5.500 5.639 5.585 5.672 0.172 4 0 "[ . 1]" 1
1286 1 85 ASP HA 1 90 PRO HB3 . . 5.500 5.328 5.186 5.394 . 0 0 "[ . 1]" 1
1287 1 85 ASP HA 1 91 LYS HB2 . . 5.070 4.871 4.759 5.001 . 0 0 "[ . 1]" 1
1288 1 85 ASP HA 1 91 LYS HG2 . . 5.500 5.345 5.139 5.531 0.031 10 0 "[ . 1]" 1
1289 1 85 ASP HB2 1 86 ASP H . . 4.080 3.856 3.809 3.903 . 0 0 "[ . 1]" 1
1290 1 85 ASP HB2 1 90 PRO HA . . 5.500 3.785 3.690 3.918 . 0 0 "[ . 1]" 1
1291 1 85 ASP HB2 1 90 PRO HB2 . . 4.590 3.953 3.892 4.030 . 0 0 "[ . 1]" 1
1292 1 85 ASP HB2 1 92 ARG HB3 . . 5.500 5.406 5.259 5.506 0.006 7 0 "[ . 1]" 1
1293 1 85 ASP HB3 1 86 ASP H . . 3.990 2.867 2.789 2.946 . 0 0 "[ . 1]" 1
1294 1 85 ASP HB3 1 90 PRO HA . . 4.590 2.535 2.446 2.731 . 0 0 "[ . 1]" 1
1295 1 85 ASP HB3 1 90 PRO HB2 . . 4.260 3.650 3.592 3.719 . 0 0 "[ . 1]" 1
1296 1 86 ASP H 1 86 ASP HB2 . . 3.160 2.217 1.984 2.458 . 0 0 "[ . 1]" 1
1297 1 86 ASP H 1 86 ASP HB3 . . 3.400 3.301 2.221 3.498 0.098 3 0 "[ . 1]" 1
1298 1 86 ASP H 1 90 PRO HA . . 3.680 2.891 2.846 2.959 . 0 0 "[ . 1]" 1
1299 1 86 ASP H 1 90 PRO HB2 . . 5.120 5.157 5.136 5.181 0.061 3 0 "[ . 1]" 1
1300 1 86 ASP H 1 91 LYS H . . 4.090 3.024 2.848 3.177 . 0 0 "[ . 1]" 1
1301 1 86 ASP H 1 91 LYS HG2 . . 4.870 3.771 3.559 4.027 . 0 0 "[ . 1]" 1
1302 1 86 ASP H 1 91 LYS HG3 . . 5.500 5.088 4.916 5.350 . 0 0 "[ . 1]" 1
1303 1 86 ASP H 1 92 ARG H . . 5.070 4.861 4.651 5.012 . 0 0 "[ . 1]" 1
1304 1 86 ASP HA 1 87 PRO HA . . 4.820 4.289 4.136 4.518 . 0 0 "[ . 1]" 1
1305 1 86 ASP HA 1 87 PRO HB2 . . 5.000 5.093 5.012 5.119 0.119 10 0 "[ . 1]" 1
1306 1 86 ASP HA 1 87 PRO HB3 . . 5.500 5.545 5.510 5.591 0.091 2 0 "[ . 1]" 1
1307 1 86 ASP HA 1 87 PRO HD2 . . 3.590 3.022 2.620 3.244 . 0 0 "[ . 1]" 1
1308 1 86 ASP HA 1 87 PRO HD3 . . 3.810 1.982 1.953 2.053 . 0 0 "[ . 1]" 1
1309 1 86 ASP HA 1 87 PRO HG2 . . 4.710 4.554 4.502 4.575 . 0 0 "[ . 1]" 1
1310 1 86 ASP HA 1 87 PRO HG3 . . 4.620 3.984 3.822 4.238 . 0 0 "[ . 1]" 1
1311 1 86 ASP HB2 1 90 PRO HA . . 4.700 3.632 3.261 4.405 . 0 0 "[ . 1]" 1
1312 1 86 ASP HB2 1 91 LYS HA . . 5.500 5.352 4.947 5.551 0.051 7 0 "[ . 1]" 1
1313 1 86 ASP HB2 1 91 LYS HB2 . . 5.500 4.613 4.210 4.992 . 0 0 "[ . 1]" 1
1314 1 86 ASP HB2 1 91 LYS HG2 . . 5.090 2.856 2.548 3.285 . 0 0 "[ . 1]" 1
1315 1 86 ASP HB2 1 91 LYS HG3 . . 5.500 4.351 3.705 4.867 . 0 0 "[ . 1]" 1
1316 1 86 ASP HB3 1 90 PRO HA . . 5.400 4.740 2.898 5.426 0.026 2 0 "[ . 1]" 1
1317 1 87 PRO HA 1 89 ASN H . . 4.860 4.715 3.832 4.899 0.039 1 0 "[ . 1]" 1
1318 1 88 GLU H 1 89 ASN H . . 2.800 2.431 2.238 2.977 0.177 6 0 "[ . 1]" 1
1319 1 88 GLU HA 1 89 ASN H . . 3.540 3.493 3.323 3.548 0.008 2 0 "[ . 1]" 1
1320 1 88 GLU HB3 1 89 ASN H . . 3.810 3.207 2.590 3.889 0.079 6 0 "[ . 1]" 1
1321 1 89 ASN H 1 89 ASN HB3 . . 3.840 3.788 3.183 3.882 0.042 7 0 "[ . 1]" 1
1322 1 89 ASN HA 1 90 PRO HB2 . . 5.500 5.602 5.588 5.617 0.117 4 0 "[ . 1]" 1
1323 1 89 ASN HA 1 90 PRO HB3 . . 5.500 4.855 4.792 5.034 . 0 0 "[ . 1]" 1
1324 1 89 ASN HA 1 90 PRO HD2 . . 3.530 2.376 2.124 2.532 . 0 0 "[ . 1]" 1
1325 1 89 ASN HA 1 90 PRO HD3 . . 3.460 2.360 2.204 2.618 . 0 0 "[ . 1]" 1
1326 1 89 ASN HA 1 90 PRO HG2 . . 4.500 4.494 4.271 4.564 0.064 8 0 "[ . 1]" 1
1327 1 89 ASN HA 1 90 PRO HG3 . . 4.640 4.484 4.418 4.524 . 0 0 "[ . 1]" 1
1328 1 89 ASN HB2 1 90 PRO HB2 . . 5.500 5.416 5.089 5.536 0.036 7 0 "[ . 1]" 1
1329 1 89 ASN HB2 1 90 PRO HD2 . . 4.550 2.404 2.243 2.462 . 0 0 "[ . 1]" 1
1330 1 89 ASN HB2 1 90 PRO HD3 . . 4.510 3.796 3.642 3.840 . 0 0 "[ . 1]" 1
1331 1 89 ASN HB2 1 90 PRO HG3 . . 5.000 4.953 4.515 5.024 0.024 8 0 "[ . 1]" 1
1332 1 89 ASN HB2 1 91 LYS HE3 . . 4.860 4.027 3.946 4.309 . 0 0 "[ . 1]" 1
1333 1 89 ASN HB3 1 90 PRO HD2 . . 5.070 2.925 2.875 3.017 . 0 0 "[ . 1]" 1
1334 1 89 ASN HB3 1 90 PRO HD3 . . 4.440 4.029 3.777 4.445 0.005 2 0 "[ . 1]" 1
1335 1 89 ASN HB3 1 90 PRO HG3 . . 5.500 5.600 5.571 5.627 0.127 6 0 "[ . 1]" 1
1336 1 89 ASN HB3 1 91 LYS HE3 . . 5.500 5.564 5.541 5.580 0.080 5 0 "[ . 1]" 1
1337 1 90 PRO HA 1 92 ARG H . . 4.340 3.494 3.439 3.609 . 0 0 "[ . 1]" 1
1338 1 90 PRO HA 1 93 ILE H . . 5.420 4.395 4.270 4.572 . 0 0 "[ . 1]" 1
1339 1 90 PRO HB2 1 93 ILE H . . 4.430 2.333 2.240 2.497 . 0 0 "[ . 1]" 1
1340 1 90 PRO HB2 1 93 ILE HB . . 4.670 3.541 3.391 3.694 . 0 0 "[ . 1]" 1
1341 1 90 PRO HB2 1 93 ILE HG12 . . 5.500 4.252 4.205 4.412 . 0 0 "[ . 1]" 1
1342 1 90 PRO HB3 1 92 ARG H . . 5.210 4.008 3.876 4.081 . 0 0 "[ . 1]" 1
1343 1 90 PRO HB3 1 93 ILE H . . 4.680 3.976 3.894 4.158 . 0 0 "[ . 1]" 1
1344 1 90 PRO HB3 1 93 ILE HG12 . . 5.280 5.381 5.359 5.403 0.123 8 0 "[ . 1]" 1
1345 1 91 LYS H 1 91 LYS HG2 . . 5.030 2.536 2.470 2.728 . 0 0 "[ . 1]" 1
1346 1 91 LYS H 1 92 ARG H . . 3.680 2.465 2.348 2.504 . 0 0 "[ . 1]" 1
1347 1 91 LYS H 1 93 ILE H . . 5.200 4.287 4.183 4.359 . 0 0 "[ . 1]" 1
1348 1 91 LYS HA 1 91 LYS HD3 . . 3.580 2.684 2.589 3.279 . 0 0 "[ . 1]" 1
1349 1 91 LYS HA 1 91 LYS HE2 . . 3.120 2.721 1.886 2.886 . 0 0 "[ . 1]" 1
1350 1 91 LYS HA 1 91 LYS HE3 . . 3.390 2.088 1.944 2.554 . 0 0 "[ . 1]" 1
1351 1 91 LYS HA 1 91 LYS HG2 . . 3.300 3.206 3.110 3.270 . 0 0 "[ . 1]" 1
1352 1 91 LYS HA 1 93 ILE H . . 5.500 4.057 3.939 4.189 . 0 0 "[ . 1]" 1
1353 1 91 LYS HB2 1 91 LYS HE2 . . 5.020 4.943 4.241 5.052 0.032 2 0 "[ . 1]" 1
1354 1 91 LYS HB2 1 91 LYS HE3 . . 4.590 3.939 3.865 4.311 . 0 0 "[ . 1]" 1
1355 1 91 LYS HB2 1 92 ARG H . . 4.120 2.981 2.867 3.112 . 0 0 "[ . 1]" 1
1356 1 91 LYS HB2 1 92 ARG HG2 . . 5.500 3.808 3.565 4.123 . 0 0 "[ . 1]" 1
1357 1 91 LYS HB3 1 91 LYS HD3 . . 2.550 2.545 2.509 2.573 0.023 10 0 "[ . 1]" 1
1358 1 91 LYS HB3 1 91 LYS HE2 . . 5.200 4.196 3.289 4.346 . 0 0 "[ . 1]" 1
1359 1 91 LYS HB3 1 91 LYS HE3 . . 4.900 3.790 3.708 4.016 . 0 0 "[ . 1]" 1
1360 1 91 LYS HB3 1 92 ARG H . . 4.680 3.880 3.821 3.960 . 0 0 "[ . 1]" 1
1361 1 91 LYS HB3 1 92 ARG HG2 . . 5.500 4.793 4.606 5.036 . 0 0 "[ . 1]" 1
1362 1 91 LYS HB3 1 107 THR HB . . 4.400 3.834 3.647 4.041 . 0 0 "[ . 1]" 1
1363 1 91 LYS HB3 1 107 THR MG . . 4.150 2.198 2.098 2.244 . 0 0 "[ . 1]" 1
1364 1 91 LYS HD2 1 91 LYS HG3 . . 2.470 2.302 2.292 2.339 . 0 0 "[ . 1]" 1
1365 1 91 LYS HD2 1 107 THR HB . . 5.500 5.376 5.202 5.512 0.012 3 0 "[ . 1]" 1
1366 1 91 LYS HD3 1 107 THR HB . . 5.500 4.167 3.949 4.332 . 0 0 "[ . 1]" 1
1367 1 91 LYS HD3 1 107 THR MG . . 4.250 2.236 2.180 2.348 . 0 0 "[ . 1]" 1
1368 1 91 LYS HE2 1 107 THR MG . . 4.360 3.628 3.024 3.703 . 0 0 "[ . 1]" 1
1369 1 91 LYS HE3 1 91 LYS HG2 . . 2.550 2.565 2.550 2.593 0.043 2 0 "[ . 1]" 1
1370 1 91 LYS HE3 1 107 THR MG . . 5.140 4.085 3.891 4.308 . 0 0 "[ . 1]" 1
1371 1 91 LYS HG3 1 107 THR HB . . 5.220 4.978 4.811 5.144 . 0 0 "[ . 1]" 1
1372 1 91 LYS HG3 1 107 THR MG . . 4.380 3.687 3.678 3.692 . 0 0 "[ . 1]" 1
1373 1 92 ARG H 1 92 ARG HB3 . . 4.060 3.573 3.538 3.604 . 0 0 "[ . 1]" 1
1374 1 92 ARG H 1 92 ARG HG2 . . 4.420 2.388 2.246 2.489 . 0 0 "[ . 1]" 1
1375 1 92 ARG H 1 92 ARG HG3 . . 4.700 3.603 3.513 3.704 . 0 0 "[ . 1]" 1
1376 1 92 ARG H 1 93 ILE H . . 3.630 2.837 2.753 2.887 . 0 0 "[ . 1]" 1
1377 1 92 ARG HA 1 92 ARG HD2 . . 4.230 3.660 3.647 3.670 . 0 0 "[ . 1]" 1
1378 1 92 ARG HA 1 92 ARG HD3 . . 3.950 2.170 2.135 2.186 . 0 0 "[ . 1]" 1
1379 1 92 ARG HA 1 92 ARG HG2 . . 4.200 2.676 2.581 2.911 . 0 0 "[ . 1]" 1
1380 1 92 ARG HA 1 92 ARG HG3 . . 3.810 3.623 3.594 3.724 . 0 0 "[ . 1]" 1
1381 1 92 ARG HA 1 104 VAL MG1 . . 3.830 3.112 3.054 3.171 . 0 0 "[ . 1]" 1
1382 1 92 ARG HA 1 104 VAL MG2 . . 4.840 2.016 1.990 2.075 . 0 0 "[ . 1]" 1
1383 1 92 ARG HB2 1 93 ILE H . . 4.040 3.041 2.992 3.128 . 0 0 "[ . 1]" 1
1384 1 92 ARG HB3 1 92 ARG HD3 . . 4.220 2.482 2.410 2.686 . 0 0 "[ . 1]" 1
1385 1 92 ARG HB3 1 93 ILE MD . . 4.240 3.566 3.532 3.596 . 0 0 "[ . 1]" 1
1386 1 92 ARG HB3 1 93 ILE HG12 . . 4.330 2.710 2.640 2.873 . 0 0 "[ . 1]" 1
1387 1 92 ARG HB3 1 104 VAL MG2 . . 5.500 3.735 3.639 3.811 . 0 0 "[ . 1]" 1
1388 1 92 ARG HD2 1 103 PHE QE . . 4.820 2.923 2.715 3.661 . 0 0 "[ . 1]" 1
1389 1 92 ARG HD2 1 103 PHE HZ . . 5.500 2.969 2.807 3.644 . 0 0 "[ . 1]" 1
1390 1 92 ARG HD2 1 104 VAL MG2 . . 5.390 3.748 3.686 3.857 . 0 0 "[ . 1]" 1
1391 1 92 ARG HD3 1 103 PHE QE . . 4.900 2.932 2.783 3.678 . 0 0 "[ . 1]" 1
1392 1 92 ARG HD3 1 103 PHE HZ . . 5.060 3.749 3.559 4.371 . 0 0 "[ . 1]" 1
1393 1 92 ARG HD3 1 104 VAL HB . . 5.500 5.318 5.222 5.408 . 0 0 "[ . 1]" 1
1394 1 92 ARG HG2 1 93 ILE H . . 4.570 4.673 4.632 4.687 0.117 5 0 "[ . 1]" 1
1395 1 93 ILE HA 1 93 ILE MG . . 3.300 2.091 2.067 2.109 . 0 0 "[ . 1]" 1
1396 1 93 ILE HA 1 103 PHE HA . . 3.760 2.571 2.502 2.618 . 0 0 "[ . 1]" 1
1397 1 93 ILE HA 1 103 PHE QD . . 5.260 4.095 4.043 4.162 . 0 0 "[ . 1]" 1
1398 1 93 ILE HA 1 104 VAL MG1 . . 4.360 3.578 3.484 3.639 . 0 0 "[ . 1]" 1
1399 1 93 ILE HB 1 93 ILE MD . . 3.430 2.490 2.471 2.516 . 0 0 "[ . 1]" 1
1400 1 93 ILE HB 1 103 PHE HA . . 5.500 5.197 5.139 5.235 . 0 0 "[ . 1]" 1
1401 1 93 ILE HB 1 103 PHE QD . . 5.500 5.005 4.980 5.020 . 0 0 "[ . 1]" 1
1402 1 93 ILE MD 1 93 ILE MG . . 3.080 2.026 2.008 2.053 . 0 0 "[ . 1]" 1
1403 1 93 ILE MD 1 103 PHE HA . . 5.320 4.468 4.457 4.476 . 0 0 "[ . 1]" 1
1404 1 93 ILE MD 1 103 PHE QD . . 3.760 2.537 2.473 2.618 . 0 0 "[ . 1]" 1
1405 1 93 ILE MD 1 103 PHE QE . . 4.260 2.740 2.693 2.773 . 0 0 "[ . 1]" 1
1406 1 93 ILE HG13 1 93 ILE MG . . 3.690 3.183 3.179 3.187 . 0 0 "[ . 1]" 1
1407 1 93 ILE HG13 1 103 PHE HA . . 4.730 4.578 4.511 4.626 . 0 0 "[ . 1]" 1
1408 1 93 ILE HG13 1 104 VAL H . . 5.300 5.407 5.373 5.428 0.128 7 0 "[ . 1]" 1
1409 1 93 ILE MG 1 101 TYR HA . . 4.310 2.593 2.281 2.752 . 0 0 "[ . 1]" 1
1410 1 93 ILE MG 1 101 TYR HB2 . . 5.150 3.402 3.369 3.441 . 0 0 "[ . 1]" 1
1411 1 93 ILE MG 1 101 TYR HB3 . . 4.490 2.013 1.992 2.031 . 0 0 "[ . 1]" 1
1412 1 93 ILE MG 1 101 TYR QD . . 4.140 2.647 2.537 2.785 . 0 0 "[ . 1]" 1
1413 1 93 ILE MG 1 102 LEU H . . 4.070 3.420 3.383 3.437 . 0 0 "[ . 1]" 1
1414 1 93 ILE MG 1 103 PHE HA . . 3.990 3.153 3.093 3.201 . 0 0 "[ . 1]" 1
1415 1 93 ILE MG 1 103 PHE HB3 . . 5.500 4.655 4.639 4.676 . 0 0 "[ . 1]" 1
1416 1 93 ILE MG 1 103 PHE QD . . 4.200 3.070 3.020 3.115 . 0 0 "[ . 1]" 1
1417 1 93 ILE O 1 102 LEU H . . 2.000 2.092 2.061 2.118 0.118 2 0 "[ . 1]" 1
1418 1 93 ILE O 1 102 LEU N . . 3.000 2.976 2.932 3.011 0.011 10 0 "[ . 1]" 1
1419 1 95 THR H 1 100 GLY O . . 2.000 2.153 2.086 2.295 0.295 9 0 "[ . 1]" 1
1420 1 95 THR H 1 102 LEU H . . 4.570 3.668 2.765 3.953 . 0 0 "[ . 1]" 1
1421 1 95 THR HA 1 100 GLY H . . 5.210 2.792 2.544 3.476 . 0 0 "[ . 1]" 1
1422 1 95 THR HA 1 101 TYR HA . . 3.830 3.810 3.402 3.931 0.101 1 0 "[ . 1]" 1
1423 1 95 THR HA 1 102 LEU H . . 4.590 4.658 4.494 4.730 0.140 10 0 "[ . 1]" 1
1424 1 95 THR MG 1 100 GLY H . . 4.930 3.622 3.298 4.109 . 0 0 "[ . 1]" 1
1425 1 95 THR N 1 100 GLY O . . 3.000 2.885 2.847 2.939 . 0 0 "[ . 1]" 1
1426 1 95 THR O 1 100 GLY H . . 2.000 2.118 2.060 2.143 0.143 7 0 "[ . 1]" 1
1427 1 95 THR O 1 100 GLY N . . 3.000 3.038 2.901 3.099 0.099 8 0 "[ . 1]" 1
1428 1 99 LYS H 1 100 GLY H . . 3.310 2.605 2.065 2.966 . 0 0 "[ . 1]" 1
1429 1 99 LYS HA 1 99 LYS HD2 . . 4.090 4.074 3.988 4.128 0.038 2 0 "[ . 1]" 1
1430 1 99 LYS HA 1 99 LYS HD3 . . 4.340 4.444 4.426 4.480 0.140 6 0 "[ . 1]" 1
1431 1 99 LYS HA 1 99 LYS HG2 . . 3.690 3.124 2.989 3.193 . 0 0 "[ . 1]" 1
1432 1 99 LYS HA 1 99 LYS HG3 . . 3.720 2.342 2.300 2.401 . 0 0 "[ . 1]" 1
1433 1 99 LYS HB2 1 100 GLY H . . 3.710 3.776 3.766 3.797 0.087 2 0 "[ . 1]" 1
1434 1 99 LYS HB3 1 99 LYS HE2 . . 5.140 4.600 4.203 4.834 . 0 0 "[ . 1]" 1
1435 1 99 LYS HB3 1 99 LYS HE3 . . 5.410 4.381 4.128 4.845 . 0 0 "[ . 1]" 1
1436 1 99 LYS HE2 1 99 LYS HG2 . . 3.640 3.295 2.499 3.688 0.048 4 0 "[ . 1]" 1
1437 1 99 LYS HE2 1 99 LYS HG3 . . 4.100 3.560 2.751 3.862 . 0 0 "[ . 1]" 1
1438 1 99 LYS HE3 1 99 LYS HG2 . . 3.780 2.743 2.438 3.794 0.014 10 0 "[ . 1]" 1
1439 1 102 LEU MD2 1 104 VAL H . . 4.570 3.945 3.934 3.953 . 0 0 "[ . 1]" 1
1440 1 102 LEU MD2 1 104 VAL HA . . 4.750 2.583 2.504 2.672 . 0 0 "[ . 1]" 1
1441 1 102 LEU MD2 1 104 VAL HB . . 4.770 3.365 3.294 3.421 . 0 0 "[ . 1]" 1
1442 1 102 LEU MD2 1 104 VAL MG1 . . 2.790 1.992 1.988 1.998 . 0 0 "[ . 1]" 1
1443 1 103 PHE H 1 103 PHE HB3 . . 4.100 2.615 2.580 2.633 . 0 0 "[ . 1]" 1
1444 1 103 PHE H 1 103 PHE QD . . 5.410 4.243 4.233 4.252 . 0 0 "[ . 1]" 1
1445 1 103 PHE H 1 104 VAL H . . 5.140 4.245 4.225 4.268 . 0 0 "[ . 1]" 1
1446 1 103 PHE HA 1 103 PHE QD . . 4.420 2.999 2.980 3.023 . 0 0 "[ . 1]" 1
1447 1 103 PHE HA 1 104 VAL H . . 3.230 2.139 2.122 2.157 . 0 0 "[ . 1]" 1
1448 1 103 PHE HA 1 104 VAL HA . . 5.420 4.435 4.407 4.460 . 0 0 "[ . 1]" 1
1449 1 103 PHE HA 1 104 VAL MG1 . . 3.910 3.364 3.349 3.374 . 0 0 "[ . 1]" 1
1450 1 103 PHE HB2 1 104 VAL H . . 4.670 4.328 4.288 4.373 . 0 0 "[ . 1]" 1
1451 1 103 PHE QD 1 104 VAL H . . 4.530 3.558 3.539 3.596 . 0 0 "[ . 1]" 1
1452 1 103 PHE QD 1 104 VAL HA . . 5.490 4.405 4.337 4.471 . 0 0 "[ . 1]" 1
1453 1 103 PHE QE 1 104 VAL MG2 . . 5.120 3.885 3.873 3.894 . 0 0 "[ . 1]" 1
1454 1 104 VAL H 1 104 VAL HB . . 3.710 3.572 3.553 3.591 . 0 0 "[ . 1]" 1
1455 1 104 VAL H 1 104 VAL MG1 . . 3.110 1.780 1.764 1.794 . 0 0 "[ . 1]" 1
1456 1 104 VAL HA 1 104 VAL MG1 . . 3.050 2.527 2.504 2.545 . 0 0 "[ . 1]" 1
1457 1 104 VAL HA 1 104 VAL MG2 . . 3.590 3.121 3.112 3.133 . 0 0 "[ . 1]" 1
1458 1 104 VAL HA 1 105 LYS H . . 3.260 2.345 2.288 2.390 . 0 0 "[ . 1]" 1
1459 1 104 VAL HB 1 107 THR H . . 4.930 4.248 3.588 4.451 . 0 0 "[ . 1]" 1
1460 1 104 VAL HB 1 107 THR MG . . 4.360 3.696 3.683 3.719 . 0 0 "[ . 1]" 1
1461 1 104 VAL MG2 1 105 LYS H . . 3.550 3.007 2.994 3.039 . 0 0 "[ . 1]" 1
1462 1 104 VAL MG2 1 106 GLU HA . . 4.110 3.161 2.528 3.433 . 0 0 "[ . 1]" 1
1463 1 104 VAL MG2 1 107 THR HA . . 3.820 3.036 2.859 3.197 . 0 0 "[ . 1]" 1
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